Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
588762 | 2rv1 RC | 11481 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1H GLY 1 -8.167 -16.287 2.968
2 H2 GLY 1 2H GLY 1 -8.496 -14.679 3.075
3 H3 GLY 1 3H GLY 1 -9.307 -15.746 4.015
4 HA2 GLY 1 1HA GLY 1 -7.333 -16.313 5.243
5 HA3 GLY 1 2HA GLY 1 -6.410 -15.225 4.189
6 H SER 2 H SER 2 -6.043 -14.634 6.709
7 HA SER 2 HA SER 2 -7.981 -13.092 8.077
8 HB2 SER 2 1HB SER 2 -4.955 -12.862 8.263
9 HB3 SER 2 2HB SER 2 -6.129 -12.379 9.498
10 HG SER 2 HG SER 2 -6.724 -14.555 9.738
11 H SER 3 H SER 3 -5.893 -12.088 5.447
12 HA SER 3 HA SER 3 -6.232 -9.212 5.860
13 HB2 SER 3 1HB SER 3 -5.072 -9.093 3.655
14 HB3 SER 3 2HB SER 3 -4.192 -10.025 4.879
15 HG SER 3 HG SER 3 -4.251 -11.114 2.857
16 H GLY 4 H GLY 4 -8.198 -11.671 4.459
17 HA2 GLY 4 1HA GLY 4 -10.441 -10.225 3.907
18 HA3 GLY 4 2HA GLY 4 -9.517 -10.043 2.413
19 H SER 5 H SER 5 -12.084 -11.475 3.017
20 HA SER 5 HA SER 5 -11.836 -14.233 3.221
21 HB2 SER 5 1HB SER 5 -13.989 -12.714 1.701
22 HB3 SER 5 2HB SER 5 -14.127 -14.342 2.396
23 HG SER 5 HG SER 5 -15.019 -12.730 3.775
24 H SER 6 H SER 6 -11.562 -12.318 0.257
25 HA SER 6 HA SER 6 -11.193 -14.771 -1.399
26 HB2 SER 6 1HB SER 6 -11.610 -13.251 -3.306
27 HB3 SER 6 2HB SER 6 -12.957 -13.326 -2.161
28 HG SER 6 HG SER 6 -12.460 -11.164 -2.782
29 H GLY 7 H GLY 7 -9.205 -12.712 0.286
30 HA2 GLY 7 1HA GLY 7 -6.976 -12.127 0.142
31 HA3 GLY 7 2HA GLY 7 -6.801 -13.415 -1.047
32 H ARG 8 H ARG 8 -5.584 -12.495 -2.574
33 HA ARG 8 HA ARG 8 -4.832 -11.164 -4.253
34 HB2 ARG 8 1HB ARG 8 -6.951 -12.410 -5.017
35 HB3 ARG 8 2HB ARG 8 -7.773 -10.863 -4.932
36 HG2 ARG 8 1HG ARG 8 -7.148 -11.304 -7.204
37 HG3 ARG 8 2HG ARG 8 -6.148 -9.963 -6.648
38 HD2 ARG 8 1HD ARG 8 -4.242 -11.501 -6.313
39 HD3 ARG 8 2HD ARG 8 -5.267 -12.878 -6.775
40 HE ARG 8 HE ARG 8 -5.323 -10.937 -8.866
41 HH11 ARG 8 2HH1 ARG 8 -3.045 -13.234 -7.515
42 HH12 ARG 8 1HH1 ARG 8 -2.178 -13.395 -9.018
43 HH21 ARG 8 2HH2 ARG 8 -4.173 -11.191 -10.750
44 HH22 ARG 8 1HH2 ARG 8 -2.805 -12.265 -10.797
45 H ALA 9 H ALA 9 -4.710 -9.656 -2.049
46 HA ALA 9 HA ALA 9 -5.686 -6.949 -2.468
47 HB1 ALA 9 1HB ALA 9 -4.057 -6.406 -0.687
48 HB2 ALA 9 2HB ALA 9 -5.094 -7.774 -0.238
49 HB3 ALA 9 3HB ALA 9 -3.414 -8.055 -0.766
50 H MET 10 H MET 10 -4.119 -5.094 -2.690
51 HA MET 10 HA MET 10 -2.376 -5.445 -5.042
52 HB2 MET 10 1HB MET 10 -2.540 -3.203 -5.342
53 HB3 MET 10 2HB MET 10 -4.016 -3.466 -4.423
54 HG2 MET 10 1HG MET 10 -3.154 -1.588 -3.425
55 HG3 MET 10 2HG MET 10 -2.598 -2.845 -2.336
56 HE1 MET 10 3HE MET 10 0.070 -3.147 -1.701
57 HE2 MET 10 1HE MET 10 0.797 -1.534 -1.750
58 HE3 MET 10 2HE MET 10 -0.847 -1.746 -1.141
59 H LYS 11 H LYS 11 -0.089 -4.911 -4.998
60 HA LYS 11 HA LYS 11 1.190 -5.118 -2.301
61 HB2 LYS 11 1HB LYS 11 1.393 -7.148 -3.799
62 HB3 LYS 11 2HB LYS 11 2.413 -6.169 -4.870
63 HG2 LYS 11 1HG LYS 11 4.005 -5.775 -3.019
64 HG3 LYS 11 2HG LYS 11 2.908 -6.592 -1.888
65 HD2 LYS 11 1HD LYS 11 3.163 -8.691 -3.269
66 HD3 LYS 11 2HD LYS 11 4.430 -7.869 -4.204
67 HE2 LYS 11 1HE LYS 11 5.810 -7.573 -2.264
68 HE3 LYS 11 2HE LYS 11 4.473 -7.954 -1.169
69 HZ1 LYS 11 3HZ LYS 11 5.779 -9.933 -2.942
70 HZ2 LYS 11 1HZ LYS 11 4.535 -10.230 -1.900
71 HZ3 LYS 11 2HZ LYS 11 5.997 -9.778 -1.316
72 H CYS 12 H CYS 12 2.739 -3.758 -1.743
73 HA CYS 12 HA CYS 12 2.758 -1.168 -2.706
74 HB2 CYS 12 1HB CYS 12 3.322 -1.843 -0.459
75 HB3 CYS 12 2HB CYS 12 4.724 -2.756 -1.026
76 HA PRO 13 HA PRO 13 5.609 -1.283 -6.108
77 HB2 PRO 13 1HB PRO 13 5.989 1.428 -6.524
78 HB3 PRO 13 2HB PRO 13 4.574 0.474 -7.047
79 HG2 PRO 13 1HG PRO 13 4.826 2.301 -4.680
80 HG3 PRO 13 2HG PRO 13 3.405 1.992 -5.718
81 HD2 PRO 13 1HD PRO 13 3.767 0.898 -3.227
82 HD3 PRO 13 2HD PRO 13 2.756 0.179 -4.512
83 H TYR 14 H TYR 14 6.532 -0.465 -2.975
84 HA TYR 14 HA TYR 14 9.433 -0.258 -3.741
85 HB2 TYR 14 1HB TYR 14 7.943 1.061 -1.470
86 HB3 TYR 14 2HB TYR 14 9.689 1.065 -1.634
87 HD1 TYR 14 1HD TYR 14 6.525 2.229 -3.197
88 HD2 TYR 14 2HD TYR 14 10.808 2.656 -3.028
89 HE1 TYR 14 1HE TYR 14 6.394 4.244 -4.691
90 HE2 TYR 14 2HE TYR 14 10.661 4.720 -4.420
91 HH TYR 14 HH TYR 14 9.289 6.133 -5.575
92 H CYS 15 H CYS 15 7.103 -1.853 -1.570
93 HA CYS 15 HA CYS 15 9.306 -3.568 -0.558
94 HB2 CYS 15 1HB CYS 15 8.866 -3.210 1.705
95 HB3 CYS 15 2HB CYS 15 8.984 -1.617 0.985
96 H ASP 16 H ASP 16 8.035 -5.030 1.290
97 HA ASP 16 HA ASP 16 6.638 -6.927 -0.430
98 HB2 ASP 16 1HB ASP 16 8.554 -7.478 1.100
99 HB3 ASP 16 2HB ASP 16 7.482 -7.196 2.471
100 H PHE 17 H PHE 17 5.444 -4.403 1.413
101 HA PHE 17 HA PHE 17 3.331 -5.813 2.817
102 HB2 PHE 17 1HB PHE 17 4.662 -3.728 3.524
103 HB3 PHE 17 2HB PHE 17 3.570 -2.822 2.485
104 HD1 PHE 17 1HD PHE 17 3.855 -4.936 5.534
105 HD2 PHE 17 2HD PHE 17 1.258 -2.427 3.187
106 HE1 PHE 17 1HE PHE 17 2.235 -4.849 7.417
107 HE2 PHE 17 2HE PHE 17 -0.358 -2.331 5.067
108 HZ PHE 17 HZ PHE 17 0.128 -3.543 7.189
109 H TYR 18 H TYR 18 1.068 -5.458 2.676
110 HA TYR 18 HA TYR 18 0.046 -4.896 -0.068
111 HB2 TYR 18 1HB TYR 18 -0.937 -6.890 1.998
112 HB3 TYR 18 2HB TYR 18 -1.709 -6.569 0.457
113 HD1 TYR 18 1HD TYR 18 1.385 -7.930 2.039
114 HD2 TYR 18 2HD TYR 18 -0.957 -7.608 -1.568
115 HE1 TYR 18 1HE TYR 18 2.814 -9.630 0.961
116 HE2 TYR 18 2HE TYR 18 0.459 -9.322 -2.647
117 HH TYR 18 HH TYR 18 2.155 -10.857 -2.357
118 H PHE 19 H PHE 19 -1.981 -3.990 -0.372
119 HA PHE 19 HA PHE 19 -3.615 -3.118 1.937
120 HB2 PHE 19 1HB PHE 19 -2.582 -1.163 -0.160
121 HB3 PHE 19 2HB PHE 19 -3.978 -0.854 0.813
122 HD1 PHE 19 1HD PHE 19 -0.282 -1.193 0.967
123 HD2 PHE 19 2HD PHE 19 -3.889 -0.197 3.112
124 HE1 PHE 19 1HE PHE 19 1.061 -0.071 2.712
125 HE2 PHE 19 2HE PHE 19 -2.530 0.894 4.879
126 HZ PHE 19 HZ PHE 19 -0.053 0.982 4.670
127 H MET 20 H MET 20 -5.765 -2.275 1.229
128 HA MET 20 HA MET 20 -7.008 -3.851 -0.865
129 HB2 MET 20 1HB MET 20 -8.126 -3.078 1.217
130 HB3 MET 20 2HB MET 20 -8.048 -1.411 0.649
131 HG2 MET 20 1HG MET 20 -9.428 -3.620 -0.924
132 HG3 MET 20 2HG MET 20 -10.234 -2.745 0.371
133 HE1 MET 20 3HE MET 20 -12.201 -2.212 -1.350
134 HE2 MET 20 1HE MET 20 -11.939 -1.387 -2.903
135 HE3 MET 20 2HE MET 20 -11.295 -3.025 -2.648
136 H LYS 21 H LYS 21 -7.583 -3.218 -2.934
137 HA LYS 21 HA LYS 21 -5.704 -1.753 -4.356
138 HB2 LYS 21 1HB LYS 21 -7.079 -2.164 -6.311
139 HB3 LYS 21 2HB LYS 21 -7.058 -3.579 -5.263
140 HG2 LYS 21 1HG LYS 21 -9.313 -2.959 -4.381
141 HG3 LYS 21 2HG LYS 21 -9.329 -1.537 -5.440
142 HD2 LYS 21 1HD LYS 21 -9.177 -3.013 -7.427
143 HD3 LYS 21 2HD LYS 21 -9.166 -4.439 -6.366
144 HE2 LYS 21 1HE LYS 21 -11.390 -3.786 -5.468
145 HE3 LYS 21 2HE LYS 21 -11.400 -2.361 -6.514
146 HZ1 LYS 21 3HZ LYS 21 -11.350 -5.176 -7.474
147 HZ2 LYS 21 1HZ LYS 21 -11.360 -3.857 -8.440
148 HZ3 LYS 21 2HZ LYS 21 -12.651 -4.192 -7.503
149 H ASN 22 H ASN 22 -8.468 -0.325 -2.886
150 HA ASN 22 HA ASN 22 -7.859 2.278 -4.214
151 HB2 ASN 22 1HB ASN 22 -10.019 1.107 -4.946
152 HB3 ASN 22 2HB ASN 22 -10.609 1.353 -3.303
153 HD21 ASN 22 1HD2 ASN 22 -12.344 2.680 -4.132
154 HD22 ASN 22 2HD2 ASN 22 -12.016 4.300 -4.731
155 H GLY 23 H GLY 23 -7.010 0.963 -1.521
156 HA2 GLY 23 1HA GLY 23 -8.239 2.518 0.588
157 HA3 GLY 23 2HA GLY 23 -6.759 1.568 0.699
158 H SER 24 H SER 24 -7.711 4.492 1.405
159 HA SER 24 HA SER 24 -5.934 6.266 -0.021
160 HB2 SER 24 1HB SER 24 -8.055 6.902 1.156
161 HB3 SER 24 2HB SER 24 -7.224 6.662 2.705
162 HG SER 24 HG SER 24 -7.193 8.860 1.975
163 H ASP 25 H ASP 25 -5.532 4.364 2.945
164 HA ASP 25 HA ASP 25 -3.214 5.620 3.995
165 HB2 ASP 25 1HB ASP 25 -4.150 2.729 4.157
166 HB3 ASP 25 2HB ASP 25 -2.871 3.426 5.148
167 H LEU 26 H LEU 26 -3.486 3.421 1.262
168 HA LEU 26 HA LEU 26 -0.765 2.591 1.041
169 HB2 LEU 26 1HB LEU 26 -2.584 1.573 -0.240
170 HB3 LEU 26 2HB LEU 26 -2.917 3.109 -1.048
171 HG LEU 26 HG LEU 26 -0.755 3.042 -2.202
172 HD11 LEU 26 1HD1 LEU 26 -0.380 0.418 -0.722
173 HD12 LEU 26 2HD1 LEU 26 0.662 1.842 -0.621
174 HD13 LEU 26 3HD1 LEU 26 0.597 0.915 -2.121
175 HD21 LEU 26 3HD2 LEU 26 -1.211 1.136 -3.666
176 HD22 LEU 26 1HD2 LEU 26 -2.698 2.009 -3.255
177 HD23 LEU 26 2HD2 LEU 26 -2.334 0.464 -2.456
178 H GLN 27 H GLN 27 -2.406 5.620 0.039
179 HA GLN 27 HA GLN 27 -0.225 6.597 -1.577
180 HB2 GLN 27 1HB GLN 27 -2.399 8.169 -0.126
181 HB3 GLN 27 2HB GLN 27 -1.343 8.775 -1.401
182 HG2 GLN 27 1HG GLN 27 -3.448 6.587 -1.700
183 HG3 GLN 27 2HG GLN 27 -3.555 8.240 -2.290
184 HE21 GLN 27 1HE2 GLN 27 -1.826 8.915 -3.957
185 HE22 GLN 27 2HE2 GLN 27 -1.300 7.657 -5.065
186 H ARG 28 H ARG 28 -1.088 7.098 1.861
187 HA ARG 28 HA ARG 28 1.222 8.694 2.517
188 HB2 ARG 28 1HB ARG 28 -0.828 8.640 3.891
189 HB3 ARG 28 2HB ARG 28 -0.560 6.939 4.261
190 HG2 ARG 28 1HG ARG 28 0.084 8.352 6.138
191 HG3 ARG 28 2HG ARG 28 1.487 7.490 5.509
192 HD2 ARG 28 1HD ARG 28 2.200 9.543 4.295
193 HD3 ARG 28 2HD ARG 28 0.774 10.399 4.924
194 HE ARG 28 HE ARG 28 2.179 9.321 7.135
195 HH11 ARG 28 2HH1 ARG 28 2.747 11.818 4.727
196 HH12 ARG 28 1HH1 ARG 28 3.869 12.676 5.770
197 HH21 ARG 28 2HH2 ARG 28 3.635 10.473 8.374
198 HH22 ARG 28 1HH2 ARG 28 4.395 11.905 7.710
199 H HIS 29 H HIS 29 0.680 5.156 2.670
200 HA HIS 29 HA HIS 29 3.220 4.467 3.751
201 HB2 HIS 29 1HB HIS 29 1.314 2.941 3.633
202 HB3 HIS 29 2HB HIS 29 1.369 2.951 1.872
203 HD1 HIS 29 1HD HIS 29 3.194 1.427 4.865
204 HD2 HIS 29 2HD HIS 29 3.262 1.499 0.661
205 HE1 HIS 29 1HE HIS 29 4.747 -0.457 4.168
206 H ILE 30 H ILE 30 2.281 5.026 0.327
207 HA ILE 30 HA ILE 30 4.921 4.394 -0.711
208 HB ILE 30 HB ILE 30 2.483 5.798 -1.854
209 HG12 ILE 30 1HG1 ILE 30 3.809 3.147 -2.604
210 HG13 ILE 30 2HG1 ILE 30 2.505 3.265 -1.427
211 HG21 ILE 30 1HG2 ILE 30 3.708 5.655 -4.078
212 HG22 ILE 30 2HG2 ILE 30 4.381 6.828 -2.949
213 HG23 ILE 30 3HG2 ILE 30 5.168 5.245 -3.153
214 HD11 ILE 30 3HD1 ILE 30 1.511 2.671 -3.522
215 HD12 ILE 30 1HD1 ILE 30 1.072 4.366 -3.160
216 HD13 ILE 30 2HD1 ILE 30 2.323 3.988 -4.371
217 H TRP 31 H TRP 31 3.251 7.517 -0.114
218 HA TRP 31 HA TRP 31 5.425 9.220 -0.675
219 HB2 TRP 31 1HB TRP 31 3.142 9.433 1.289
220 HB3 TRP 31 2HB TRP 31 4.296 10.735 1.060
221 HD1 TRP 31 1HD TRP 31 4.561 10.518 -2.124
222 HE1 TRP 31 1HE TRP 31 2.681 11.328 -3.622
223 HE3 TRP 31 3HE TRP 31 0.751 10.568 1.315
224 HZ2 TRP 31 2HZ TRP 31 -0.137 11.961 -3.385
225 HZ3 TRP 31 3HZ TRP 31 -1.520 11.316 0.647
226 HH2 TRP 31 2HH TRP 31 -1.979 12.007 -1.695
227 H ALA 32 H ALA 32 4.976 7.182 2.158
228 HA ALA 32 HA ALA 32 7.103 8.339 3.745
229 HB1 ALA 32 1HB ALA 32 5.857 5.563 3.832
230 HB2 ALA 32 2HB ALA 32 6.854 6.307 5.097
231 HB3 ALA 32 3HB ALA 32 5.267 6.998 4.702
232 H HIS 33 H HIS 33 7.049 5.649 1.338
233 HA HIS 33 HA HIS 33 9.867 4.997 1.617
234 HB2 HIS 33 1HB HIS 33 7.908 4.547 -0.670
235 HB3 HIS 33 2HB HIS 33 9.552 3.931 -0.614
236 HD1 HIS 33 1HD HIS 33 9.985 2.354 1.814
237 HD2 HIS 33 2HD HIS 33 6.216 2.722 0.001
238 HE1 HIS 33 1HE HIS 33 8.672 0.308 2.537
239 H GLU 34 H GLU 34 8.047 7.287 -0.417
240 HA GLU 34 HA GLU 34 10.376 8.374 -1.772
241 HB2 GLU 34 1HB GLU 34 7.524 9.325 -1.375
242 HB3 GLU 34 2HB GLU 34 8.698 10.270 -2.277
243 HG2 GLU 34 1HG GLU 34 8.069 7.381 -3.002
244 HG3 GLU 34 2HG GLU 34 7.147 8.743 -3.618
245 H GLY 35 H GLY 35 9.700 8.552 1.481
246 HA2 GLY 35 1HA GLY 35 10.892 9.634 3.108
247 HA3 GLY 35 2HA GLY 35 11.748 10.554 1.872
248 H VAL 36 H VAL 36 8.269 10.819 1.808
249 HA VAL 36 HA VAL 36 8.345 13.655 2.488
250 HB VAL 36 HB VAL 36 5.942 11.843 2.077
251 HG11 VAL 36 1HG1 VAL 36 4.760 13.952 1.519
252 HG12 VAL 36 2HG1 VAL 36 5.314 13.939 3.191
253 HG13 VAL 36 3HG1 VAL 36 6.207 14.879 1.971
254 HG21 VAL 36 3HG2 VAL 36 7.406 13.633 0.083
255 HG22 VAL 36 1HG2 VAL 36 7.349 11.858 0.041
256 HG23 VAL 36 2HG2 VAL 36 5.872 12.785 -0.219
257 H LYS 37 H LYS 37 7.806 14.638 4.362
258 HA LYS 37 HA LYS 37 7.960 13.164 6.840
259 HB2 LYS 37 1HB LYS 37 7.345 16.093 6.272
260 HB3 LYS 37 2HB LYS 37 7.590 15.406 7.882
261 HG2 LYS 37 1HG LYS 37 9.875 14.656 7.220
262 HG3 LYS 37 2HG LYS 37 9.658 15.425 5.636
263 HD2 LYS 37 1HD LYS 37 9.358 17.627 6.740
264 HD3 LYS 37 2HD LYS 37 9.569 16.857 8.329
265 HE2 LYS 37 1HE LYS 37 11.838 16.095 7.651
266 HE3 LYS 37 2HE LYS 37 11.632 16.874 6.077
267 HZ1 LYS 37 3HZ LYS 37 11.644 18.293 8.691
268 HZ2 LYS 37 1HZ LYS 37 11.452 19.013 7.236
269 HZ3 LYS 37 2HZ LYS 37 12.866 18.293 7.611
Start of MODEL 2
1 H1 GLY 1 1H GLY 1 3.142 -14.952 -12.899
2 H2 GLY 1 2H GLY 1 4.328 -14.312 -11.969
3 H3 GLY 1 3H GLY 1 3.247 -13.326 -12.712
4 HA2 GLY 1 1HA GLY 1 2.731 -13.499 -10.369
5 HA3 GLY 1 2HA GLY 1 1.441 -14.172 -11.381
6 H SER 2 H SER 2 2.210 -14.770 -8.578
7 HA SER 2 HA SER 2 2.574 -17.732 -8.764
8 HB2 SER 2 1HB SER 2 3.986 -15.886 -6.799
9 HB3 SER 2 2HB SER 2 4.038 -17.658 -6.788
10 HG SER 2 HG SER 2 5.864 -16.730 -7.840
11 H SER 3 H SER 3 1.616 -18.942 -7.103
12 HA SER 3 HA SER 3 -0.827 -17.908 -6.024
13 HB2 SER 3 1HB SER 3 0.638 -20.486 -5.349
14 HB3 SER 3 2HB SER 3 -1.060 -20.118 -4.995
15 HG SER 3 HG SER 3 -0.808 -21.348 -6.931
16 H GLY 4 H GLY 4 -1.481 -17.437 -3.941
17 HA2 GLY 4 1HA GLY 4 -0.330 -17.921 -1.491
18 HA3 GLY 4 2HA GLY 4 0.522 -16.480 -2.051
19 H SER 5 H SER 5 -0.535 -15.762 0.038
20 HA SER 5 HA SER 5 -3.326 -15.176 0.183
21 HB2 SER 5 1HB SER 5 -1.028 -13.842 1.659
22 HB3 SER 5 2HB SER 5 -2.736 -13.849 2.137
23 HG SER 5 HG SER 5 -1.523 -15.454 3.247
24 H SER 6 H SER 6 -1.152 -13.743 -1.893
25 HA SER 6 HA SER 6 -1.989 -10.970 -1.824
26 HB2 SER 6 1HB SER 6 -0.662 -10.864 -3.925
27 HB3 SER 6 2HB SER 6 0.220 -11.605 -2.574
28 HG SER 6 HG SER 6 0.433 -12.804 -4.538
29 H GLY 7 H GLY 7 -3.646 -13.720 -2.931
30 HA2 GLY 7 1HA GLY 7 -4.757 -13.032 -5.394
31 HA3 GLY 7 2HA GLY 7 -5.586 -13.981 -4.162
32 H ARG 8 H ARG 8 -6.013 -11.481 -6.100
33 HA ARG 8 HA ARG 8 -7.199 -9.576 -6.281
34 HB2 ARG 8 1HB ARG 8 -8.966 -10.826 -4.151
35 HB3 ARG 8 2HB ARG 8 -9.405 -9.471 -5.196
36 HG2 ARG 8 1HG ARG 8 -9.045 -10.911 -7.206
37 HG3 ARG 8 2HG ARG 8 -8.756 -12.296 -6.131
38 HD2 ARG 8 1HD ARG 8 -11.012 -12.027 -5.163
39 HD3 ARG 8 2HD ARG 8 -11.296 -10.618 -6.206
40 HE ARG 8 HE ARG 8 -10.554 -12.876 -7.813
41 HH11 ARG 8 2HH1 ARG 8 -13.324 -11.730 -5.998
42 HH12 ARG 8 1HH1 ARG 8 -14.456 -12.594 -7.003
43 HH21 ARG 8 2HH2 ARG 8 -12.051 -13.953 -9.053
44 HH22 ARG 8 1HH2 ARG 8 -13.745 -13.822 -8.685
45 H ALA 9 H ALA 9 -5.018 -9.567 -4.180
46 HA ALA 9 HA ALA 9 -5.744 -6.954 -2.913
47 HB1 ALA 9 1HB ALA 9 -3.838 -7.299 -1.471
48 HB2 ALA 9 2HB ALA 9 -4.892 -8.731 -1.384
49 HB3 ALA 9 3HB ALA 9 -3.378 -8.774 -2.335
50 H MET 10 H MET 10 -3.712 -5.524 -2.748
51 HA MET 10 HA MET 10 -2.226 -5.418 -5.341
52 HB2 MET 10 1HB MET 10 -2.436 -3.159 -5.411
53 HB3 MET 10 2HB MET 10 -3.936 -3.567 -4.581
54 HG2 MET 10 1HG MET 10 -3.170 -1.794 -3.328
55 HG3 MET 10 2HG MET 10 -2.590 -3.160 -2.387
56 HE1 MET 10 3HE MET 10 0.028 -3.359 -1.664
57 HE2 MET 10 1HE MET 10 0.798 -1.764 -1.647
58 HE3 MET 10 2HE MET 10 -0.849 -1.944 -1.046
59 H LYS 11 H LYS 11 0.026 -4.880 -5.215
60 HA LYS 11 HA LYS 11 1.300 -5.266 -2.533
61 HB2 LYS 11 1HB LYS 11 1.623 -7.145 -4.221
62 HB3 LYS 11 2HB LYS 11 2.584 -6.012 -5.181
63 HG2 LYS 11 1HG LYS 11 4.119 -5.675 -3.252
64 HG3 LYS 11 2HG LYS 11 3.098 -6.725 -2.255
65 HD2 LYS 11 1HD LYS 11 3.587 -8.613 -3.866
66 HD3 LYS 11 2HD LYS 11 4.742 -7.542 -4.692
67 HE2 LYS 11 1HE LYS 11 6.010 -7.242 -2.619
68 HE3 LYS 11 2HE LYS 11 4.787 -8.136 -1.702
69 HZ1 LYS 11 3HZ LYS 11 5.366 -10.120 -2.967
70 HZ2 LYS 11 1HZ LYS 11 6.657 -9.527 -2.146
71 HZ3 LYS 11 2HZ LYS 11 6.548 -9.314 -3.776
72 H CYS 12 H CYS 12 2.790 -3.848 -1.864
73 HA CYS 12 HA CYS 12 2.714 -1.210 -2.773
74 HB2 CYS 12 1HB CYS 12 3.208 -1.925 -0.513
75 HB3 CYS 12 2HB CYS 12 4.693 -2.718 -1.042
76 HA PRO 13 HA PRO 13 5.692 -1.234 -6.086
77 HB2 PRO 13 1HB PRO 13 6.001 1.500 -6.449
78 HB3 PRO 13 2HB PRO 13 4.649 0.505 -7.054
79 HG2 PRO 13 1HG PRO 13 4.721 2.296 -4.643
80 HG3 PRO 13 2HG PRO 13 3.368 1.970 -5.763
81 HD2 PRO 13 1HD PRO 13 3.598 0.816 -3.284
82 HD3 PRO 13 2HD PRO 13 2.728 0.084 -4.661
83 H TYR 14 H TYR 14 6.466 -0.374 -2.909
84 HA TYR 14 HA TYR 14 9.389 -0.088 -3.572
85 HB2 TYR 14 1HB TYR 14 7.761 1.226 -1.399
86 HB3 TYR 14 2HB TYR 14 9.514 1.259 -1.455
87 HD1 TYR 14 1HD TYR 14 6.441 2.327 -3.240
88 HD2 TYR 14 2HD TYR 14 10.686 2.868 -2.779
89 HE1 TYR 14 1HE TYR 14 6.352 4.320 -4.758
90 HE2 TYR 14 2HE TYR 14 10.580 4.924 -4.194
91 HH TYR 14 HH TYR 14 7.534 6.014 -5.737
92 H CYS 15 H CYS 15 7.032 -1.694 -1.438
93 HA CYS 15 HA CYS 15 9.262 -3.339 -0.354
94 HB2 CYS 15 1HB CYS 15 8.613 -3.129 1.887
95 HB3 CYS 15 2HB CYS 15 8.780 -1.508 1.238
96 H ASP 16 H ASP 16 8.199 -5.099 1.188
97 HA ASP 16 HA ASP 16 6.938 -6.848 -0.759
98 HB2 ASP 16 1HB ASP 16 8.901 -7.418 0.716
99 HB3 ASP 16 2HB ASP 16 7.787 -7.468 2.084
100 H PHE 17 H PHE 17 5.513 -4.742 1.402
101 HA PHE 17 HA PHE 17 3.456 -6.525 2.463
102 HB2 PHE 17 1HB PHE 17 4.003 -3.568 2.778
103 HB3 PHE 17 2HB PHE 17 2.605 -4.358 3.481
104 HD1 PHE 17 1HD PHE 17 6.303 -4.100 3.643
105 HD2 PHE 17 2HD PHE 17 2.783 -5.929 5.338
106 HE1 PHE 17 1HE PHE 17 7.630 -4.840 5.606
107 HE2 PHE 17 2HE PHE 17 4.114 -6.665 7.301
108 HZ PHE 17 HZ PHE 17 6.539 -6.123 7.438
109 H TYR 18 H TYR 18 1.214 -6.131 2.390
110 HA TYR 18 HA TYR 18 0.222 -5.364 -0.313
111 HB2 TYR 18 1HB TYR 18 -0.761 -7.541 1.569
112 HB3 TYR 18 2HB TYR 18 -1.454 -7.149 0.005
113 HD1 TYR 18 2HD TYR 18 -0.319 -7.729 -2.088
114 HD2 TYR 18 1HD TYR 18 1.380 -8.752 1.743
115 HE1 TYR 18 2HE TYR 18 1.291 -9.227 -3.208
116 HE2 TYR 18 1HE TYR 18 2.996 -10.261 0.625
117 HH TYR 18 HH TYR 18 3.675 -11.192 -1.351
118 H PHE 19 H PHE 19 -1.876 -4.577 -0.531
119 HA PHE 19 HA PHE 19 -3.402 -3.822 1.917
120 HB2 PHE 19 1HB PHE 19 -2.867 -1.962 -0.429
121 HB3 PHE 19 2HB PHE 19 -4.221 -1.796 0.639
122 HD1 PHE 19 1HD PHE 19 -0.457 -2.184 1.120
123 HD2 PHE 19 2HD PHE 19 -4.100 -0.125 2.178
124 HE1 PHE 19 1HE PHE 19 0.819 -0.691 2.617
125 HE2 PHE 19 2HE PHE 19 -2.810 1.364 3.679
126 HZ PHE 19 HZ PHE 19 -0.352 1.084 3.907
127 H MET 20 H MET 20 -5.586 -4.106 1.743
128 HA MET 20 HA MET 20 -6.587 -5.667 -0.537
129 HB2 MET 20 1HB MET 20 -8.572 -6.001 0.822
130 HB3 MET 20 2HB MET 20 -7.104 -6.403 1.709
131 HG2 MET 20 1HG MET 20 -7.202 -4.265 2.917
132 HG3 MET 20 2HG MET 20 -8.633 -3.783 2.015
133 HE1 MET 20 3HE MET 20 -11.032 -4.593 2.433
134 HE2 MET 20 1HE MET 20 -10.584 -6.247 1.956
135 HE3 MET 20 2HE MET 20 -11.473 -5.969 3.466
136 H LYS 21 H LYS 21 -6.441 -2.371 0.106
137 HA LYS 21 HA LYS 21 -8.437 -1.707 -1.994
138 HB2 LYS 21 1HB LYS 21 -8.139 -0.315 0.703
139 HB3 LYS 21 2HB LYS 21 -9.090 0.328 -0.621
140 HG2 LYS 21 1HG LYS 21 -9.744 -2.350 0.682
141 HG3 LYS 21 2HG LYS 21 -10.289 -0.812 1.309
142 HD2 LYS 21 1HD LYS 21 -12.089 -1.634 0.092
143 HD3 LYS 21 2HD LYS 21 -11.415 -0.337 -0.896
144 HE2 LYS 21 1HE LYS 21 -10.324 -2.008 -2.360
145 HE3 LYS 21 2HE LYS 21 -10.866 -3.314 -1.300
146 HZ1 LYS 21 3HZ LYS 21 -13.163 -2.727 -1.862
147 HZ2 LYS 21 1HZ LYS 21 -12.328 -3.061 -3.222
148 HZ3 LYS 21 2HZ LYS 21 -12.666 -1.512 -2.836
149 H ASN 22 H ASN 22 -8.094 0.418 -2.916
150 HA ASN 22 HA ASN 22 -5.219 1.185 -3.011
151 HB2 ASN 22 1HB ASN 22 -5.600 1.882 -5.274
152 HB3 ASN 22 2HB ASN 22 -6.179 0.235 -5.079
153 HD21 ASN 22 1HD2 ASN 22 -7.016 1.597 -7.276
154 HD22 ASN 22 2HD2 ASN 22 -8.706 2.044 -7.087
155 H GLY 23 H GLY 23 -7.320 2.209 -1.066
156 HA2 GLY 23 1HA GLY 23 -7.925 4.955 -1.715
157 HA3 GLY 23 2HA GLY 23 -8.089 4.177 -0.146
158 H SER 24 H SER 24 -7.435 6.588 0.200
159 HA SER 24 HA SER 24 -4.916 7.610 -0.316
160 HB2 SER 24 1HB SER 24 -6.639 8.212 2.114
161 HB3 SER 24 2HB SER 24 -5.393 9.262 1.410
162 HG SER 24 HG SER 24 -7.512 9.825 0.703
163 H ASP 25 H ASP 25 -5.684 5.357 2.305
164 HA ASP 25 HA ASP 25 -3.384 5.809 3.950
165 HB2 ASP 25 1HB ASP 25 -4.993 3.274 3.434
166 HB3 ASP 25 2HB ASP 25 -3.797 3.467 4.713
167 H LEU 26 H LEU 26 -3.788 3.856 0.979
168 HA LEU 26 HA LEU 26 -1.107 2.727 1.044
169 HB2 LEU 26 1HB LEU 26 -2.880 1.617 -0.203
170 HB3 LEU 26 2HB LEU 26 -3.162 3.063 -1.174
171 HG LEU 26 HG LEU 26 -0.915 2.865 -2.187
172 HD11 LEU 26 1HD1 LEU 26 0.356 0.735 -1.896
173 HD12 LEU 26 2HD1 LEU 26 -0.735 0.302 -0.557
174 HD13 LEU 26 3HD1 LEU 26 0.335 1.709 -0.426
175 HD21 LEU 26 3HD2 LEU 26 -2.580 0.340 -2.372
176 HD22 LEU 26 1HD2 LEU 26 -1.377 0.913 -3.559
177 HD23 LEU 26 2HD2 LEU 26 -2.850 1.853 -3.274
178 H GLN 27 H GLN 27 -2.616 5.636 -0.436
179 HA GLN 27 HA GLN 27 -0.320 6.490 -1.885
180 HB2 GLN 27 1HB GLN 27 -2.650 7.291 -2.212
181 HB3 GLN 27 2HB GLN 27 -2.552 8.181 -0.685
182 HG2 GLN 27 1HG GLN 27 -0.760 9.576 -1.555
183 HG3 GLN 27 2HG GLN 27 -0.668 8.609 -3.035
184 HE21 GLN 27 1HE2 GLN 27 -2.909 10.751 -1.164
185 HE22 GLN 27 2HE2 GLN 27 -3.806 11.261 -2.586
186 H ARG 28 H ARG 28 -1.335 7.197 1.501
187 HA ARG 28 HA ARG 28 0.987 8.808 2.137
188 HB2 ARG 28 1HB ARG 28 -0.687 7.170 4.073
189 HB3 ARG 28 2HB ARG 28 0.394 8.502 4.456
190 HG2 ARG 28 1HG ARG 28 -1.462 9.554 2.548
191 HG3 ARG 28 2HG ARG 28 -2.393 8.521 3.631
192 HD2 ARG 28 1HD ARG 28 -2.537 10.580 4.661
193 HD3 ARG 28 2HD ARG 28 -1.253 9.805 5.578
194 HE ARG 28 HE ARG 28 -0.995 11.955 3.502
195 HH11 ARG 28 2HH1 ARG 28 0.648 10.258 6.120
196 HH12 ARG 28 1HH1 ARG 28 1.976 11.409 6.099
197 HH21 ARG 28 2HH2 ARG 28 0.733 13.344 3.596
198 HH22 ARG 28 1HH2 ARG 28 2.007 13.065 4.759
199 H HIS 29 H HIS 29 0.368 5.305 2.524
200 HA HIS 29 HA HIS 29 2.867 4.607 3.697
201 HB2 HIS 29 1HB HIS 29 0.982 3.076 3.599
202 HB3 HIS 29 2HB HIS 29 1.032 3.045 1.839
203 HD1 HIS 29 1HD HIS 29 2.843 1.558 4.854
204 HD2 HIS 29 2HD HIS 29 2.946 1.571 0.652
205 HE1 HIS 29 1HE HIS 29 4.422 -0.317 4.197
206 H ILE 30 H ILE 30 2.044 5.049 0.236
207 HA ILE 30 HA ILE 30 4.689 4.326 -0.708
208 HB ILE 30 HB ILE 30 2.300 5.726 -1.952
209 HG12 ILE 30 1HG1 ILE 30 3.618 3.041 -2.574
210 HG13 ILE 30 2HG1 ILE 30 2.284 3.217 -1.439
211 HG21 ILE 30 1HG2 ILE 30 3.561 5.521 -4.147
212 HG22 ILE 30 2HG2 ILE 30 4.222 6.716 -3.039
213 HG23 ILE 30 3HG2 ILE 30 5.007 5.132 -3.186
214 HD11 ILE 30 3HD1 ILE 30 2.187 3.819 -4.412
215 HD12 ILE 30 1HD1 ILE 30 1.337 2.546 -3.527
216 HD13 ILE 30 2HD1 ILE 30 0.907 4.257 -3.252
217 H TRP 31 H TRP 31 3.086 7.507 -0.317
218 HA TRP 31 HA TRP 31 5.249 9.216 -0.839
219 HB2 TRP 31 1HB TRP 31 2.987 9.350 1.167
220 HB3 TRP 31 2HB TRP 31 4.130 10.655 0.998
221 HD1 TRP 31 1HD TRP 31 4.065 9.985 -2.392
222 HE1 TRP 31 1HE TRP 31 2.305 11.258 -3.670
223 HE3 TRP 31 3HE TRP 31 0.973 11.202 1.516
224 HZ2 TRP 31 2HZ TRP 31 -0.151 12.713 -3.102
225 HZ3 TRP 31 3HZ TRP 31 -1.084 12.549 1.102
226 HH2 TRP 31 2HH TRP 31 -1.638 13.323 -1.188
227 H ALA 32 H ALA 32 4.725 7.257 2.065
228 HA ALA 32 HA ALA 32 6.814 8.440 3.646
229 HB1 ALA 32 1HB ALA 32 4.921 7.164 4.592
230 HB2 ALA 32 2HB ALA 32 5.525 5.684 3.812
231 HB3 ALA 32 3HB ALA 32 6.475 6.468 5.090
232 H HIS 33 H HIS 33 6.873 5.750 1.277
233 HA HIS 33 HA HIS 33 9.641 5.005 1.816
234 HB2 HIS 33 1HB HIS 33 7.853 4.540 -0.604
235 HB3 HIS 33 2HB HIS 33 9.471 3.885 -0.400
236 HD1 HIS 33 1HD HIS 33 9.682 2.364 2.078
237 HD2 HIS 33 2HD HIS 33 6.049 2.790 0.017
238 HE1 HIS 33 1HE HIS 33 8.262 0.383 2.770
239 H GLU 34 H GLU 34 8.052 7.399 -0.269
240 HA GLU 34 HA GLU 34 10.543 8.363 -1.455
241 HB2 GLU 34 1HB GLU 34 7.783 9.638 -1.313
242 HB3 GLU 34 2HB GLU 34 9.148 10.235 -2.256
243 HG2 GLU 34 1HG GLU 34 9.201 8.077 -3.514
244 HG3 GLU 34 2HG GLU 34 7.744 7.564 -2.655
245 H GLY 35 H GLY 35 9.638 8.472 1.710
246 HA2 GLY 35 1HA GLY 35 10.688 9.520 3.471
247 HA3 GLY 35 2HA GLY 35 11.513 10.610 2.355
248 H VAL 36 H VAL 36 8.171 10.707 1.765
249 HA VAL 36 HA VAL 36 7.935 13.396 2.926
250 HB VAL 36 HB VAL 36 5.932 11.784 1.319
251 HG11 VAL 36 1HG1 VAL 36 4.829 13.595 2.533
252 HG12 VAL 36 2HG1 VAL 36 6.049 14.759 1.953
253 HG13 VAL 36 3HG1 VAL 36 4.919 13.988 0.820
254 HG21 VAL 36 3HG2 VAL 36 6.633 13.191 -0.599
255 HG22 VAL 36 1HG2 VAL 36 7.943 13.873 0.396
256 HG23 VAL 36 2HG2 VAL 36 7.934 12.146 -0.033
257 H LYS 37 H LYS 37 6.525 14.011 4.539
258 HA LYS 37 HA LYS 37 5.945 11.911 6.529
259 HB2 LYS 37 1HB LYS 37 5.975 14.953 6.762
260 HB3 LYS 37 2HB LYS 37 5.609 13.822 8.062
261 HG2 LYS 37 1HG LYS 37 7.819 14.222 8.491
262 HG3 LYS 37 2HG LYS 37 7.928 12.749 7.540
263 HD2 LYS 37 1HD LYS 37 8.485 14.214 5.510
264 HD3 LYS 37 2HD LYS 37 8.403 15.612 6.584
265 HE2 LYS 37 1HE LYS 37 10.697 15.066 6.340
266 HE3 LYS 37 2HE LYS 37 10.239 14.572 7.972
267 HZ1 LYS 37 3HZ LYS 37 10.428 12.738 5.627
268 HZ2 LYS 37 1HZ LYS 37 10.100 12.280 7.164
269 HZ3 LYS 37 2HZ LYS 37 11.570 12.879 6.792
Start of MODEL 3
1 H1 GLY 1 1H GLY 1 -0.246 -11.170 3.508
2 H2 GLY 1 2H GLY 1 0.859 -12.377 3.400
3 H3 GLY 1 3H GLY 1 -0.513 -12.599 4.265
4 HA2 GLY 1 1HA GLY 1 -1.868 -12.471 2.281
5 HA3 GLY 1 2HA GLY 1 -0.387 -12.200 1.342
6 H SER 2 H SER 2 -2.563 -14.490 1.657
7 HA SER 2 HA SER 2 -0.983 -16.792 2.475
8 HB2 SER 2 1HB SER 2 -3.051 -18.055 1.804
9 HB3 SER 2 2HB SER 2 -3.236 -16.848 3.084
10 HG SER 2 HG SER 2 -4.923 -16.612 1.642
11 H SER 3 H SER 3 -0.245 -18.458 1.322
12 HA SER 3 HA SER 3 1.000 -17.932 -1.150
13 HB2 SER 3 1HB SER 3 0.573 -20.610 0.233
14 HB3 SER 3 2HB SER 3 1.827 -20.227 -0.960
15 HG SER 3 HG SER 3 2.615 -20.093 1.192
16 H GLY 4 H GLY 4 1.025 -19.483 -3.042
17 HA2 GLY 4 1HA GLY 4 0.038 -20.524 -4.835
18 HA3 GLY 4 2HA GLY 4 -1.230 -21.087 -3.741
19 H SER 5 H SER 5 -0.588 -17.669 -4.286
20 HA SER 5 HA SER 5 -1.902 -15.947 -4.882
21 HB2 SER 5 1HB SER 5 -2.901 -17.731 -7.117
22 HB3 SER 5 2HB SER 5 -2.984 -15.965 -7.053
23 HG SER 5 HG SER 5 -0.717 -15.882 -7.076
24 H SER 6 H SER 6 -3.083 -17.865 -2.903
25 HA SER 6 HA SER 6 -5.968 -17.484 -3.131
26 HB2 SER 6 1HB SER 6 -4.166 -18.108 -0.766
27 HB3 SER 6 2HB SER 6 -5.935 -18.024 -0.678
28 HG SER 6 HG SER 6 -6.063 -19.724 -2.178
29 H GLY 7 H GLY 7 -3.277 -15.630 -1.674
30 HA2 GLY 7 1HA GLY 7 -5.018 -13.390 -0.862
31 HA3 GLY 7 2HA GLY 7 -3.254 -13.451 -0.803
32 H ARG 8 H ARG 8 -5.673 -11.838 -2.243
33 HA ARG 8 HA ARG 8 -4.260 -11.422 -4.858
34 HB2 ARG 8 1HB ARG 8 -7.260 -11.688 -4.418
35 HB3 ARG 8 2HB ARG 8 -6.469 -11.280 -5.950
36 HG2 ARG 8 1HG ARG 8 -5.199 -13.437 -5.843
37 HG3 ARG 8 2HG ARG 8 -6.133 -13.880 -4.404
38 HD2 ARG 8 1HD ARG 8 -8.224 -13.744 -5.713
39 HD3 ARG 8 2HD ARG 8 -7.276 -13.333 -7.165
40 HE ARG 8 HE ARG 8 -6.215 -15.715 -5.997
41 HH11 ARG 8 2HH1 ARG 8 -9.077 -14.783 -7.800
42 HH12 ARG 8 1HH1 ARG 8 -9.303 -16.390 -8.438
43 HH21 ARG 8 2HH2 ARG 8 -6.552 -17.703 -6.821
44 HH22 ARG 8 1HH2 ARG 8 -7.893 -18.014 -7.891
45 H ALA 9 H ALA 9 -4.280 -9.827 -2.313
46 HA ALA 9 HA ALA 9 -5.315 -7.197 -3.034
47 HB1 ALA 9 1HB ALA 9 -3.876 -6.485 -1.128
48 HB2 ALA 9 2HB ALA 9 -4.970 -7.814 -0.697
49 HB3 ALA 9 3HB ALA 9 -3.245 -8.134 -1.003
50 H MET 10 H MET 10 -3.754 -5.312 -3.223
51 HA MET 10 HA MET 10 -1.814 -5.778 -5.380
52 HB2 MET 10 1HB MET 10 -1.882 -3.531 -5.748
53 HB3 MET 10 2HB MET 10 -3.455 -3.768 -4.997
54 HG2 MET 10 1HG MET 10 -2.716 -1.883 -3.929
55 HG3 MET 10 2HG MET 10 -2.249 -3.118 -2.774
56 HE1 MET 10 3HE MET 10 1.070 -1.765 -1.896
57 HE2 MET 10 1HE MET 10 -0.611 -2.045 -1.433
58 HE3 MET 10 2HE MET 10 0.403 -3.401 -1.929
59 H LYS 11 H LYS 11 0.467 -5.190 -5.197
60 HA LYS 11 HA LYS 11 1.576 -5.359 -2.421
61 HB2 LYS 11 1HB LYS 11 1.838 -7.406 -3.907
62 HB3 LYS 11 2HB LYS 11 2.953 -6.447 -4.890
63 HG2 LYS 11 1HG LYS 11 4.416 -6.112 -2.911
64 HG3 LYS 11 2HG LYS 11 3.227 -6.946 -1.887
65 HD2 LYS 11 1HD LYS 11 3.505 -8.987 -3.351
66 HD3 LYS 11 2HD LYS 11 4.839 -8.165 -4.176
67 HE2 LYS 11 1HE LYS 11 6.148 -8.066 -2.163
68 HE3 LYS 11 2HE LYS 11 4.755 -8.503 -1.155
69 HZ1 LYS 11 3HZ LYS 11 4.763 -10.695 -2.101
70 HZ2 LYS 11 1HZ LYS 11 6.255 -10.395 -1.514
71 HZ3 LYS 11 2HZ LYS 11 5.997 -10.339 -3.126
72 H CYS 12 H CYS 12 3.039 -3.933 -1.800
73 HA CYS 12 HA CYS 12 3.042 -1.386 -2.839
74 HB2 CYS 12 1HB CYS 12 3.444 -1.964 -0.544
75 HB3 CYS 12 2HB CYS 12 4.914 -2.848 -0.959
76 HA PRO 13 HA PRO 13 6.148 -1.396 -6.007
77 HB2 PRO 13 1HB PRO 13 6.458 1.323 -6.411
78 HB3 PRO 13 2HB PRO 13 5.104 0.325 -7.013
79 HG2 PRO 13 1HG PRO 13 5.166 2.146 -4.621
80 HG3 PRO 13 2HG PRO 13 3.827 1.831 -5.762
81 HD2 PRO 13 1HD PRO 13 3.997 0.709 -3.275
82 HD3 PRO 13 2HD PRO 13 3.142 -0.037 -4.655
83 H TYR 14 H TYR 14 6.816 -0.499 -2.819
84 HA TYR 14 HA TYR 14 9.761 -0.235 -3.388
85 HB2 TYR 14 1HB TYR 14 8.083 1.079 -1.249
86 HB3 TYR 14 2HB TYR 14 9.836 1.103 -1.269
87 HD1 TYR 14 1HD TYR 14 6.796 2.230 -3.068
88 HD2 TYR 14 2HD TYR 14 11.057 2.665 -2.618
89 HE1 TYR 14 1HE TYR 14 6.756 4.234 -4.574
90 HE2 TYR 14 2HE TYR 14 10.999 4.715 -4.042
91 HH TYR 14 HH TYR 14 7.979 5.882 -5.576
92 H CYS 15 H CYS 15 7.322 -1.851 -1.379
93 HA CYS 15 HA CYS 15 9.467 -3.564 -0.247
94 HB2 CYS 15 1HB CYS 15 8.819 -3.308 1.990
95 HB3 CYS 15 2HB CYS 15 9.031 -1.692 1.342
96 H ASP 16 H ASP 16 8.104 -5.155 1.417
97 HA ASP 16 HA ASP 16 6.725 -6.886 -0.499
98 HB2 ASP 16 1HB ASP 16 7.077 -8.640 1.101
99 HB3 ASP 16 2HB ASP 16 8.567 -7.736 0.882
100 H PHE 17 H PHE 17 5.521 -4.507 1.496
101 HA PHE 17 HA PHE 17 3.370 -5.979 2.753
102 HB2 PHE 17 1HB PHE 17 4.616 -3.884 3.567
103 HB3 PHE 17 2HB PHE 17 3.562 -2.977 2.491
104 HD1 PHE 17 2HD PHE 17 3.731 -5.142 5.512
105 HD2 PHE 17 1HD PHE 17 1.204 -2.647 3.073
106 HE1 PHE 17 2HE PHE 17 2.012 -5.127 7.306
107 HE2 PHE 17 1HE PHE 17 -0.510 -2.621 4.867
108 HZ PHE 17 HZ PHE 17 -0.110 -3.862 6.990
109 H TYR 18 H TYR 18 1.109 -5.694 2.501
110 HA TYR 18 HA TYR 18 0.230 -5.139 -0.288
111 HB2 TYR 18 1HB TYR 18 -0.847 -7.101 1.761
112 HB3 TYR 18 2HB TYR 18 -1.568 -6.793 0.194
113 HD1 TYR 18 1HD TYR 18 1.501 -8.122 1.865
114 HD2 TYR 18 2HD TYR 18 -0.787 -7.880 -1.784
115 HE1 TYR 18 1HE TYR 18 2.948 -9.844 0.843
116 HE2 TYR 18 2HE TYR 18 0.646 -9.612 -2.805
117 HH TYR 18 HH TYR 18 2.336 -11.135 -2.461
118 H PHE 19 H PHE 19 -1.760 -4.199 -0.731
119 HA PHE 19 HA PHE 19 -3.493 -3.306 1.500
120 HB2 PHE 19 1HB PHE 19 -2.390 -1.381 -0.576
121 HB3 PHE 19 2HB PHE 19 -3.850 -1.079 0.310
122 HD1 PHE 19 1HD PHE 19 -0.163 -1.383 0.695
123 HD2 PHE 19 2HD PHE 19 -3.904 -0.425 2.613
124 HE1 PHE 19 1HE PHE 19 1.061 -0.293 2.546
125 HE2 PHE 19 2HE PHE 19 -2.666 0.625 4.491
126 HZ PHE 19 HZ PHE 19 -0.180 0.717 4.449
127 H MET 20 H MET 20 -5.611 -2.723 0.902
128 HA MET 20 HA MET 20 -6.620 -3.936 -1.626
129 HB2 MET 20 1HB MET 20 -8.794 -4.122 -0.468
130 HB3 MET 20 2HB MET 20 -7.501 -5.065 0.241
131 HG2 MET 20 1HG MET 20 -8.831 -4.130 1.999
132 HG3 MET 20 2HG MET 20 -7.222 -3.439 2.051
133 HE1 MET 20 3HE MET 20 -11.042 -2.829 1.661
134 HE2 MET 20 1HE MET 20 -11.133 -1.207 0.943
135 HE3 MET 20 2HE MET 20 -10.548 -2.574 -0.027
136 H LYS 21 H LYS 21 -8.905 -2.796 -2.100
137 HA LYS 21 HA LYS 21 -8.092 -0.515 -3.520
138 HB2 LYS 21 1HB LYS 21 -10.284 -0.559 -4.515
139 HB3 LYS 21 2HB LYS 21 -9.667 -2.195 -4.328
140 HG2 LYS 21 1HG LYS 21 -11.099 -2.535 -2.332
141 HG3 LYS 21 2HG LYS 21 -11.692 -0.869 -2.459
142 HD2 LYS 21 1HD LYS 21 -12.638 -1.377 -4.698
143 HD3 LYS 21 2HD LYS 21 -12.046 -3.048 -4.566
144 HE2 LYS 21 1HE LYS 21 -13.432 -3.376 -2.528
145 HE3 LYS 21 2HE LYS 21 -14.019 -1.712 -2.654
146 HZ1 LYS 21 3HZ LYS 21 -15.014 -2.297 -4.804
147 HZ2 LYS 21 1HZ LYS 21 -15.592 -3.279 -3.637
148 HZ3 LYS 21 2HZ LYS 21 -14.474 -3.835 -4.687
149 H ASN 22 H ASN 22 -8.519 -0.046 -0.388
150 HA ASN 22 HA ASN 22 -10.221 2.303 -0.294
151 HB2 ASN 22 1HB ASN 22 -9.615 0.970 1.699
152 HB3 ASN 22 2HB ASN 22 -7.918 1.409 1.489
153 HD21 ASN 22 1HD2 ASN 22 -7.619 2.559 3.383
154 HD22 ASN 22 2HD2 ASN 22 -8.533 4.028 3.764
155 H GLY 23 H GLY 23 -6.749 1.813 -0.924
156 HA2 GLY 23 1HA GLY 23 -5.332 2.974 -2.293
157 HA3 GLY 23 2HA GLY 23 -6.662 4.046 -2.714
158 H SER 24 H SER 24 -7.129 5.288 -0.142
159 HA SER 24 HA SER 24 -5.109 7.322 -0.251
160 HB2 SER 24 1HB SER 24 -6.293 8.272 1.709
161 HB3 SER 24 2HB SER 24 -7.373 7.850 0.368
162 HG SER 24 HG SER 24 -8.197 7.144 2.394
163 H ASP 25 H ASP 25 -5.482 4.540 1.846
164 HA ASP 25 HA ASP 25 -3.338 5.192 3.704
165 HB2 ASP 25 1HB ASP 25 -3.591 2.771 4.329
166 HB3 ASP 25 2HB ASP 25 -4.996 3.798 4.542
167 H LEU 26 H LEU 26 -3.569 3.110 0.792
168 HA LEU 26 HA LEU 26 -0.830 2.359 0.688
169 HB2 LEU 26 1HB LEU 26 -2.526 1.265 -0.664
170 HB3 LEU 26 2HB LEU 26 -2.887 2.765 -1.518
171 HG LEU 26 HG LEU 26 -0.636 2.776 -2.538
172 HD11 LEU 26 1HD1 LEU 26 -0.294 0.162 -1.034
173 HD12 LEU 26 2HD1 LEU 26 0.705 1.611 -0.863
174 HD13 LEU 26 3HD1 LEU 26 0.760 0.685 -2.366
175 HD21 LEU 26 3HD2 LEU 26 -2.127 0.160 -2.880
176 HD22 LEU 26 1HD2 LEU 26 -0.949 0.859 -4.020
177 HD23 LEU 26 2HD2 LEU 26 -2.482 1.693 -3.709
178 H GLN 27 H GLN 27 -2.455 5.245 -0.740
179 HA GLN 27 HA GLN 27 -0.170 6.381 -1.989
180 HB2 GLN 27 1HB GLN 27 -2.672 7.598 -0.771
181 HB3 GLN 27 2HB GLN 27 -1.429 8.583 -1.554
182 HG2 GLN 27 1HG GLN 27 -1.695 7.455 -3.657
183 HG3 GLN 27 2HG GLN 27 -2.774 6.252 -2.968
184 HE21 GLN 27 1HE2 GLN 27 -3.834 7.357 -5.115
185 HE22 GLN 27 2HE2 GLN 27 -5.015 8.593 -4.698
186 H ARG 28 H ARG 28 -1.366 6.898 1.378
187 HA ARG 28 HA ARG 28 0.846 8.524 2.196
188 HB2 ARG 28 1HB ARG 28 -1.311 8.379 3.405
189 HB3 ARG 28 2HB ARG 28 -0.961 6.710 3.850
190 HG2 ARG 28 1HG ARG 28 -0.547 8.224 5.716
191 HG3 ARG 28 2HG ARG 28 0.954 7.441 5.221
192 HD2 ARG 28 1HD ARG 28 1.642 9.486 4.011
193 HD3 ARG 28 2HD ARG 28 0.099 10.260 4.432
194 HE ARG 28 HE ARG 28 1.380 9.394 6.830
195 HH11 ARG 28 2HH1 ARG 28 1.862 11.913 4.385
196 HH12 ARG 28 1HH1 ARG 28 2.716 12.912 5.570
197 HH21 ARG 28 2HH2 ARG 28 2.490 10.856 8.182
198 HH22 ARG 28 1HH2 ARG 28 3.024 12.381 7.465
199 H HIS 29 H HIS 29 0.455 4.969 2.376
200 HA HIS 29 HA HIS 29 2.944 4.412 3.648
201 HB2 HIS 29 1HB HIS 29 1.124 2.804 3.468
202 HB3 HIS 29 2HB HIS 29 1.249 2.788 1.711
203 HD1 HIS 29 1HD HIS 29 2.994 1.367 4.796
204 HD2 HIS 29 2HD HIS 29 3.232 1.383 0.598
205 HE1 HIS 29 1HE HIS 29 4.617 -0.490 4.191
206 H ILE 30 H ILE 30 2.206 4.866 0.164
207 HA ILE 30 HA ILE 30 4.915 4.281 -0.703
208 HB ILE 30 HB ILE 30 2.511 5.591 -2.017
209 HG12 ILE 30 1HG1 ILE 30 3.949 2.961 -2.619
210 HG13 ILE 30 2HG1 ILE 30 2.561 3.075 -1.542
211 HG21 ILE 30 1HG2 ILE 30 3.850 5.461 -4.163
212 HG22 ILE 30 2HG2 ILE 30 4.448 6.652 -3.014
213 HG23 ILE 30 3HG2 ILE 30 5.272 5.080 -3.166
214 HD11 ILE 30 3HD1 ILE 30 2.577 3.723 -4.510
215 HD12 ILE 30 1HD1 ILE 30 1.738 2.406 -3.691
216 HD13 ILE 30 2HD1 ILE 30 1.232 4.096 -3.404
217 H TRP 31 H TRP 31 3.130 7.365 -0.305
218 HA TRP 31 HA TRP 31 5.247 9.149 -0.793
219 HB2 TRP 31 1HB TRP 31 2.911 9.273 1.123
220 HB3 TRP 31 2HB TRP 31 3.981 10.639 0.854
221 HD1 TRP 31 1HD TRP 31 4.216 10.086 -2.375
222 HE1 TRP 31 1HE TRP 31 2.310 10.791 -3.875
223 HE3 TRP 31 3HE TRP 31 0.536 10.538 1.173
224 HZ2 TRP 31 2HZ TRP 31 -0.500 11.491 -3.608
225 HZ3 TRP 31 3HZ TRP 31 -1.752 11.243 0.512
226 HH2 TRP 31 2HH TRP 31 -2.283 11.717 -1.869
227 H ALA 32 H ALA 32 4.692 7.186 2.091
228 HA ALA 32 HA ALA 32 6.709 8.426 3.747
229 HB1 ALA 32 1HB ALA 32 6.405 6.427 5.151
230 HB2 ALA 32 2HB ALA 32 4.838 7.090 4.645
231 HB3 ALA 32 3HB ALA 32 5.488 5.637 3.854
232 H HIS 33 H HIS 33 6.852 5.672 1.419
233 HA HIS 33 HA HIS 33 9.654 5.064 1.913
234 HB2 HIS 33 1HB HIS 33 7.860 4.529 -0.488
235 HB3 HIS 33 2HB HIS 33 9.513 3.966 -0.327
236 HD1 HIS 33 1HD HIS 33 9.864 2.414 2.115
237 HD2 HIS 33 2HD HIS 33 6.184 2.660 0.107
238 HE1 HIS 33 1HE HIS 33 8.588 0.319 2.760
239 H GLU 34 H GLU 34 7.950 7.316 -0.270
240 HA GLU 34 HA GLU 34 10.382 8.388 -1.456
241 HB2 GLU 34 1HB GLU 34 7.556 9.506 -1.316
242 HB3 GLU 34 2HB GLU 34 8.882 10.213 -2.239
243 HG2 GLU 34 1HG GLU 34 9.124 8.046 -3.484
244 HG3 GLU 34 2HG GLU 34 7.657 7.467 -2.688
245 H GLY 35 H GLY 35 9.486 8.572 1.726
246 HA2 GLY 35 1HA GLY 35 10.546 9.685 3.430
247 HA3 GLY 35 2HA GLY 35 11.408 10.681 2.259
248 H VAL 36 H VAL 36 7.973 10.776 1.875
249 HA VAL 36 HA VAL 36 7.843 13.567 2.784
250 HB VAL 36 HB VAL 36 5.644 11.795 1.670
251 HG11 VAL 36 1HG1 VAL 36 4.546 13.941 1.098
252 HG12 VAL 36 2HG1 VAL 36 4.728 13.745 2.838
253 HG13 VAL 36 3HG1 VAL 36 5.833 14.823 1.949
254 HG21 VAL 36 3HG2 VAL 36 6.036 12.981 -0.474
255 HG22 VAL 36 1HG2 VAL 36 7.463 13.774 0.235
256 HG23 VAL 36 2HG2 VAL 36 7.430 12.011 -0.002
257 H LYS 37 H LYS 37 6.843 14.326 4.575
258 HA LYS 37 HA LYS 37 5.584 12.428 6.519
259 HB2 LYS 37 1HB LYS 37 7.625 14.611 7.098
260 HB3 LYS 37 2HB LYS 37 6.665 13.768 8.319
261 HG2 LYS 37 1HG LYS 37 7.669 11.602 7.649
262 HG3 LYS 37 2HG LYS 37 8.605 12.414 6.389
263 HD2 LYS 37 1HD LYS 37 10.044 12.006 8.264
264 HD3 LYS 37 2HD LYS 37 9.791 13.750 8.109
265 HE2 LYS 37 1HE LYS 37 8.104 13.668 9.933
266 HE3 LYS 37 2HE LYS 37 8.315 11.916 10.057
267 HZ1 LYS 37 3HZ LYS 37 9.631 13.092 11.726
268 HZ2 LYS 37 1HZ LYS 37 10.438 13.931 10.583
269 HZ3 LYS 37 2HZ LYS 37 10.634 12.312 10.703
Start of MODEL 4
1 H1 GLY 1 1H GLY 1 -2.954 -10.140 10.788
2 H2 GLY 1 2H GLY 1 -1.347 -10.459 10.738
3 H3 GLY 1 3H GLY 1 -2.431 -11.671 10.528
4 HA2 GLY 1 1HA GLY 1 -2.017 -9.396 8.695
5 HA3 GLY 1 2HA GLY 1 -1.473 -11.060 8.410
6 H SER 2 H SER 2 -2.707 -11.232 6.487
7 HA SER 2 HA SER 2 -5.592 -10.859 6.447
8 HB2 SER 2 1HB SER 2 -5.403 -11.832 4.170
9 HB3 SER 2 2HB SER 2 -4.342 -10.442 4.447
10 HG SER 2 HG SER 2 -3.257 -12.176 3.388
11 H SER 3 H SER 3 -7.142 -12.524 5.915
12 HA SER 3 HA SER 3 -6.540 -15.326 6.564
13 HB2 SER 3 1HB SER 3 -6.931 -14.143 8.777
14 HB3 SER 3 2HB SER 3 -8.585 -13.807 8.231
15 HG SER 3 HG SER 3 -8.397 -15.748 9.490
16 H GLY 4 H GLY 4 -8.450 -16.715 6.274
17 HA2 GLY 4 1HA GLY 4 -10.368 -17.449 5.222
18 HA3 GLY 4 2HA GLY 4 -10.831 -15.782 4.911
19 H SER 5 H SER 5 -11.554 -17.382 3.037
20 HA SER 5 HA SER 5 -9.696 -18.090 0.987
21 HB2 SER 5 1HB SER 5 -12.695 -17.623 0.787
22 HB3 SER 5 2HB SER 5 -11.688 -18.495 -0.384
23 HG SER 5 HG SER 5 -12.744 -19.916 1.090
24 H SER 6 H SER 6 -9.428 -17.267 -1.116
25 HA SER 6 HA SER 6 -8.848 -15.675 -2.613
26 HB2 SER 6 1HB SER 6 -11.590 -14.555 -1.973
27 HB3 SER 6 2HB SER 6 -10.648 -14.271 -3.450
28 HG SER 6 HG SER 6 -12.194 -15.958 -3.707
29 H GLY 7 H GLY 7 -7.798 -15.086 -0.039
30 HA2 GLY 7 1HA GLY 7 -8.092 -12.336 0.690
31 HA3 GLY 7 2HA GLY 7 -6.874 -13.461 1.279
32 H ARG 8 H ARG 8 -6.793 -13.036 -2.149
33 HA ARG 8 HA ARG 8 -4.170 -11.820 -2.080
34 HB2 ARG 8 1HB ARG 8 -4.233 -11.906 -4.499
35 HB3 ARG 8 2HB ARG 8 -4.720 -13.437 -3.776
36 HG2 ARG 8 1HG ARG 8 -7.124 -12.861 -4.221
37 HG3 ARG 8 2HG ARG 8 -6.593 -11.360 -5.009
38 HD2 ARG 8 1HD ARG 8 -5.275 -12.700 -6.643
39 HD3 ARG 8 2HD ARG 8 -5.772 -14.180 -5.829
40 HE ARG 8 HE ARG 8 -7.915 -14.031 -6.738
41 HH11 ARG 8 2HH1 ARG 8 -6.169 -11.133 -7.665
42 HH12 ARG 8 1HH1 ARG 8 -7.351 -10.706 -8.872
43 HH21 ARG 8 2HH2 ARG 8 -9.373 -13.424 -8.286
44 HH22 ARG 8 1HH2 ARG 8 -9.116 -11.971 -9.207
45 H ALA 9 H ALA 9 -3.461 -9.879 -2.913
46 HA ALA 9 HA ALA 9 -5.314 -7.556 -2.951
47 HB1 ALA 9 1HB ALA 9 -4.919 -8.036 -0.586
48 HB2 ALA 9 2HB ALA 9 -3.174 -8.166 -0.865
49 HB3 ALA 9 3HB ALA 9 -3.988 -6.597 -1.023
50 H MET 10 H MET 10 -3.878 -5.445 -3.060
51 HA MET 10 HA MET 10 -2.014 -5.740 -5.313
52 HB2 MET 10 1HB MET 10 -2.328 -3.541 -5.715
53 HB3 MET 10 2HB MET 10 -3.788 -3.801 -4.778
54 HG2 MET 10 1HG MET 10 -3.015 -1.869 -3.869
55 HG3 MET 10 2HG MET 10 -2.387 -3.051 -2.732
56 HE1 MET 10 3HE MET 10 0.113 -3.042 -1.990
57 HE2 MET 10 1HE MET 10 0.927 -1.499 -2.304
58 HE3 MET 10 2HE MET 10 -0.732 -1.511 -1.707
59 H LYS 11 H LYS 11 0.231 -5.168 -5.254
60 HA LYS 11 HA LYS 11 1.544 -5.431 -2.573
61 HB2 LYS 11 1HB LYS 11 2.011 -7.220 -4.266
62 HB3 LYS 11 2HB LYS 11 2.665 -5.984 -5.345
63 HG2 LYS 11 1HG LYS 11 4.310 -5.391 -3.478
64 HG3 LYS 11 2HG LYS 11 3.751 -6.821 -2.615
65 HD2 LYS 11 1HD LYS 11 4.595 -8.269 -4.354
66 HD3 LYS 11 2HD LYS 11 4.873 -6.913 -5.462
67 HE2 LYS 11 1HE LYS 11 6.250 -7.213 -2.765
68 HE3 LYS 11 2HE LYS 11 6.951 -7.801 -4.271
69 HZ1 LYS 11 3HZ LYS 11 7.137 -5.587 -5.084
70 HZ2 LYS 11 1HZ LYS 11 7.645 -5.493 -3.521
71 HZ3 LYS 11 2HZ LYS 11 6.182 -4.943 -3.919
72 H CYS 12 H CYS 12 2.861 -3.889 -1.800
73 HA CYS 12 HA CYS 12 3.001 -1.266 -2.700
74 HB2 CYS 12 1HB CYS 12 3.466 -2.034 -0.447
75 HB3 CYS 12 2HB CYS 12 4.910 -2.900 -1.001
76 HA PRO 13 HA PRO 13 6.015 -1.565 -5.981
77 HB2 PRO 13 1HB PRO 13 6.246 1.102 -6.638
78 HB3 PRO 13 2HB PRO 13 4.893 0.032 -7.098
79 HG2 PRO 13 1HG PRO 13 4.988 2.084 -4.908
80 HG3 PRO 13 2HG PRO 13 3.622 1.619 -5.957
81 HD2 PRO 13 1HD PRO 13 3.969 0.747 -3.356
82 HD3 PRO 13 2HD PRO 13 3.007 -0.100 -4.600
83 H TYR 14 H TYR 14 6.710 -0.376 -2.894
84 HA TYR 14 HA TYR 14 9.618 0.062 -3.549
85 HB2 TYR 14 1HB TYR 14 7.846 1.298 -1.445
86 HB3 TYR 14 2HB TYR 14 9.598 1.420 -1.412
87 HD1 TYR 14 1HD TYR 14 6.577 2.274 -3.385
88 HD2 TYR 14 2HD TYR 14 10.746 3.076 -2.695
89 HE1 TYR 14 1HE TYR 14 6.455 4.236 -4.943
90 HE2 TYR 14 2HE TYR 14 10.604 5.093 -4.160
91 HH TYR 14 HH TYR 14 7.592 5.980 -5.889
92 H CYS 15 H CYS 15 7.377 -1.629 -1.379
93 HA CYS 15 HA CYS 15 9.699 -3.184 -0.354
94 HB2 CYS 15 1HB CYS 15 8.978 -3.224 1.862
95 HB3 CYS 15 2HB CYS 15 9.090 -1.554 1.352
96 H ASP 16 H ASP 16 7.255 -4.409 1.237
97 HA ASP 16 HA ASP 16 6.371 -6.357 -0.825
98 HB2 ASP 16 1HB ASP 16 8.562 -7.105 0.219
99 HB3 ASP 16 2HB ASP 16 7.711 -7.233 1.757
100 H PHE 17 H PHE 17 5.267 -4.247 1.300
101 HA PHE 17 HA PHE 17 3.337 -5.912 2.744
102 HB2 PHE 17 1HB PHE 17 4.478 -3.685 3.497
103 HB3 PHE 17 2HB PHE 17 3.199 -2.910 2.575
104 HD1 PHE 17 2HD PHE 17 0.811 -3.142 3.340
105 HD2 PHE 17 1HD PHE 17 4.062 -4.919 5.544
106 HE1 PHE 17 2HE PHE 17 -0.685 -3.450 5.287
107 HE2 PHE 17 1HE PHE 17 2.560 -5.231 7.498
108 HZ PHE 17 HZ PHE 17 0.184 -4.496 7.375
109 H TYR 18 H TYR 18 1.096 -5.940 2.470
110 HA TYR 18 HA TYR 18 0.140 -5.262 -0.256
111 HB2 TYR 18 1HB TYR 18 -0.643 -7.466 1.666
112 HB3 TYR 18 2HB TYR 18 -1.541 -7.081 0.208
113 HD1 TYR 18 1HD TYR 18 1.812 -8.190 1.439
114 HD2 TYR 18 2HD TYR 18 -0.831 -7.817 -1.950
115 HE1 TYR 18 1HE TYR 18 3.420 -9.439 0.055
116 HE2 TYR 18 2HE TYR 18 0.767 -9.111 -3.338
117 HH TYR 18 HH TYR 18 3.881 -10.327 -2.023
118 H PHE 19 H PHE 19 -1.869 -4.430 -0.684
119 HA PHE 19 HA PHE 19 -3.567 -3.478 1.574
120 HB2 PHE 19 1HB PHE 19 -2.522 -1.704 -0.657
121 HB3 PHE 19 2HB PHE 19 -3.852 -1.286 0.377
122 HD1 PHE 19 1HD PHE 19 -0.168 -2.043 0.485
123 HD2 PHE 19 2HD PHE 19 -3.558 -0.253 2.467
124 HE1 PHE 19 1HE PHE 19 1.351 -0.966 2.117
125 HE2 PHE 19 2HE PHE 19 -2.030 0.800 4.112
126 HZ PHE 19 HZ PHE 19 0.421 0.435 3.949
127 H MET 20 H MET 20 -5.696 -3.058 1.092
128 HA MET 20 HA MET 20 -6.859 -4.337 -1.313
129 HB2 MET 20 1HB MET 20 -8.130 -3.111 1.172
130 HB3 MET 20 2HB MET 20 -9.012 -3.927 -0.116
131 HG2 MET 20 1HG MET 20 -6.964 -5.177 1.736
132 HG3 MET 20 2HG MET 20 -8.702 -5.422 1.765
133 HE1 MET 20 3HE MET 20 -10.068 -6.825 0.003
134 HE2 MET 20 1HE MET 20 -9.459 -5.872 -1.373
135 HE3 MET 20 2HE MET 20 -9.351 -7.642 -1.404
136 H LYS 21 H LYS 21 -9.051 -2.905 -1.860
137 HA LYS 21 HA LYS 21 -8.086 -0.877 -3.615
138 HB2 LYS 21 1HB LYS 21 -10.920 -1.650 -2.806
139 HB3 LYS 21 2HB LYS 21 -10.517 -0.571 -4.146
140 HG2 LYS 21 1HG LYS 21 -9.227 -2.370 -5.250
141 HG3 LYS 21 2HG LYS 21 -9.651 -3.488 -3.940
142 HD2 LYS 21 1HD LYS 21 -12.050 -3.224 -4.464
143 HD3 LYS 21 2HD LYS 21 -11.648 -2.084 -5.767
144 HE2 LYS 21 1HE LYS 21 -10.322 -3.859 -6.900
145 HE3 LYS 21 2HE LYS 21 -10.738 -4.994 -5.609
146 HZ1 LYS 21 3HZ LYS 21 -12.697 -3.697 -7.433
147 HZ2 LYS 21 1HZ LYS 21 -13.083 -4.745 -6.241
148 HZ3 LYS 21 2HZ LYS 21 -12.211 -5.251 -7.523
149 H ASN 22 H ASN 22 -8.538 -0.398 -0.365
150 HA ASN 22 HA ASN 22 -9.540 2.359 -0.433
151 HB2 ASN 22 1HB ASN 22 -8.300 0.653 1.768
152 HB3 ASN 22 2HB ASN 22 -8.882 2.299 1.997
153 HD21 ASN 22 1HD2 ASN 22 -9.958 0.443 3.612
154 HD22 ASN 22 2HD2 ASN 22 -11.612 0.113 3.115
155 H GLY 23 H GLY 23 -7.926 2.765 -2.229
156 HA2 GLY 23 1HA GLY 23 -5.156 2.758 -1.928
157 HA3 GLY 23 2HA GLY 23 -6.049 3.752 -3.078
158 H SER 24 H SER 24 -7.323 5.216 -0.637
159 HA SER 24 HA SER 24 -5.652 7.469 -0.553
160 HB2 SER 24 1HB SER 24 -7.633 6.582 1.580
161 HB3 SER 24 2HB SER 24 -7.052 8.233 1.288
162 HG SER 24 HG SER 24 -9.096 7.856 0.307
163 H ASP 25 H ASP 25 -5.591 4.626 1.611
164 HA ASP 25 HA ASP 25 -3.547 5.889 3.337
165 HB2 ASP 25 1HB ASP 25 -5.421 4.475 4.233
166 HB3 ASP 25 2HB ASP 25 -4.666 3.075 3.460
167 H LEU 26 H LEU 26 -3.684 3.575 0.675
168 HA LEU 26 HA LEU 26 -0.973 2.616 0.852
169 HB2 LEU 26 1HB LEU 26 -2.609 1.458 -0.496
170 HB3 LEU 26 2HB LEU 26 -2.930 2.904 -1.453
171 HG LEU 26 HG LEU 26 -0.699 2.827 -2.447
172 HD11 LEU 26 1HD1 LEU 26 0.652 1.837 -0.681
173 HD12 LEU 26 2HD1 LEU 26 0.733 0.796 -2.098
174 HD13 LEU 26 3HD1 LEU 26 -0.309 0.362 -0.717
175 HD21 LEU 26 3HD2 LEU 26 -2.156 0.155 -2.600
176 HD22 LEU 26 1HD2 LEU 26 -1.000 0.808 -3.786
177 HD23 LEU 26 2HD2 LEU 26 -2.549 1.618 -3.520
178 H GLN 27 H GLN 27 -2.442 5.518 -0.698
179 HA GLN 27 HA GLN 27 -0.062 6.547 -1.867
180 HB2 GLN 27 1HB GLN 27 -2.469 7.956 -0.652
181 HB3 GLN 27 2HB GLN 27 -1.170 8.815 -1.468
182 HG2 GLN 27 1HG GLN 27 -2.845 6.645 -2.794
183 HG3 GLN 27 2HG GLN 27 -3.186 8.366 -2.890
184 HE21 GLN 27 1HE2 GLN 27 -2.952 7.242 -5.281
185 HE22 GLN 27 2HE2 GLN 27 -1.381 7.587 -5.995
186 H ARG 28 H ARG 28 -1.240 6.924 1.525
187 HA ARG 28 HA ARG 28 0.998 8.518 2.411
188 HB2 ARG 28 1HB ARG 28 -0.667 6.616 4.117
189 HB3 ARG 28 2HB ARG 28 0.350 7.950 4.663
190 HG2 ARG 28 1HG ARG 28 -1.171 9.469 3.220
191 HG3 ARG 28 2HG ARG 28 -2.285 8.099 3.164
192 HD2 ARG 28 1HD ARG 28 -1.262 9.513 5.656
193 HD3 ARG 28 2HD ARG 28 -2.876 9.679 4.953
194 HE ARG 28 HE ARG 28 -2.570 6.925 5.485
195 HH11 ARG 28 2HH1 ARG 28 -2.628 9.831 7.469
196 HH12 ARG 28 1HH1 ARG 28 -3.201 8.945 8.857
197 HH21 ARG 28 2HH2 ARG 28 -3.271 5.925 7.173
198 HH22 ARG 28 1HH2 ARG 28 -3.567 6.740 8.713
199 H HIS 29 H HIS 29 0.492 4.989 2.454
200 HA HIS 29 HA HIS 29 2.971 4.291 3.675
201 HB2 HIS 29 1HB HIS 29 1.087 2.749 3.408
202 HB3 HIS 29 2HB HIS 29 1.281 2.764 1.656
203 HD1 HIS 29 1HD HIS 29 3.011 1.372 4.797
204 HD2 HIS 29 2HD HIS 29 3.216 1.268 0.600
205 HE1 HIS 29 1HE HIS 29 4.653 -0.479 4.235
206 H ILE 30 H ILE 30 2.238 4.865 0.203
207 HA ILE 30 HA ILE 30 4.940 4.241 -0.668
208 HB ILE 30 HB ILE 30 2.544 5.581 -1.960
209 HG12 ILE 30 1HG1 ILE 30 3.990 2.958 -2.590
210 HG13 ILE 30 2HG1 ILE 30 2.604 3.066 -1.504
211 HG21 ILE 30 1HG2 ILE 30 3.876 5.474 -4.116
212 HG22 ILE 30 2HG2 ILE 30 4.459 6.667 -2.960
213 HG23 ILE 30 3HG2 ILE 30 5.306 5.112 -3.122
214 HD11 ILE 30 3HD1 ILE 30 1.766 2.402 -3.640
215 HD12 ILE 30 1HD1 ILE 30 1.273 4.099 -3.355
216 HD13 ILE 30 2HD1 ILE 30 2.611 3.711 -4.468
217 H TRP 31 H TRP 31 3.221 7.359 -0.249
218 HA TRP 31 HA TRP 31 5.354 9.121 -0.716
219 HB2 TRP 31 1HB TRP 31 3.057 9.236 1.251
220 HB3 TRP 31 2HB TRP 31 4.148 10.585 1.000
221 HD1 TRP 31 1HD TRP 31 4.283 10.064 -2.270
222 HE1 TRP 31 1HE TRP 31 2.367 10.894 -3.686
223 HE3 TRP 31 3HE TRP 31 0.749 10.611 1.412
224 HZ2 TRP 31 2HZ TRP 31 -0.386 11.757 -3.305
225 HZ3 TRP 31 3HZ TRP 31 -1.518 11.459 0.846
226 HH2 TRP 31 2HH TRP 31 -2.096 12.035 -1.500
227 H ALA 32 H ALA 32 4.809 7.124 2.155
228 HA ALA 32 HA ALA 32 6.842 8.333 3.808
229 HB1 ALA 32 1HB ALA 32 5.599 5.550 3.885
230 HB2 ALA 32 2HB ALA 32 6.537 6.306 5.188
231 HB3 ALA 32 3HB ALA 32 4.976 6.999 4.708
232 H HIS 33 H HIS 33 6.960 5.623 1.438
233 HA HIS 33 HA HIS 33 9.754 4.970 1.935
234 HB2 HIS 33 1HB HIS 33 7.954 4.464 -0.468
235 HB3 HIS 33 2HB HIS 33 9.594 3.864 -0.293
236 HD1 HIS 33 1HD HIS 33 9.891 2.323 2.167
237 HD2 HIS 33 2HD HIS 33 6.230 2.638 0.136
238 HE1 HIS 33 1HE HIS 33 8.560 0.268 2.825
239 H GLU 34 H GLU 34 8.070 7.279 -0.191
240 HA GLU 34 HA GLU 34 10.513 8.316 -1.400
241 HB2 GLU 34 1HB GLU 34 7.706 9.479 -1.229
242 HB3 GLU 34 2HB GLU 34 9.039 10.167 -2.158
243 HG2 GLU 34 1HG GLU 34 9.219 8.008 -3.429
244 HG3 GLU 34 2HG GLU 34 7.754 7.449 -2.617
245 H GLY 35 H GLY 35 9.625 8.468 1.787
246 HA2 GLY 35 1HA GLY 35 10.675 9.548 3.513
247 HA3 GLY 35 2HA GLY 35 11.576 10.534 2.361
248 H VAL 36 H VAL 36 8.135 10.680 1.967
249 HA VAL 36 HA VAL 36 8.082 13.496 2.794
250 HB VAL 36 HB VAL 36 5.833 11.758 1.732
251 HG11 VAL 36 1HG1 VAL 36 4.979 13.785 2.815
252 HG12 VAL 36 2HG1 VAL 36 6.128 14.786 1.894
253 HG13 VAL 36 3HG1 VAL 36 4.816 13.919 1.068
254 HG21 VAL 36 3HG2 VAL 36 7.731 13.611 0.234
255 HG22 VAL 36 1HG2 VAL 36 7.634 11.843 0.068
256 HG23 VAL 36 2HG2 VAL 36 6.280 12.846 -0.454
257 H LYS 37 H LYS 37 7.110 14.354 4.549
258 HA LYS 37 HA LYS 37 5.398 12.783 6.351
259 HB2 LYS 37 1HB LYS 37 6.723 13.100 8.319
260 HB3 LYS 37 2HB LYS 37 7.732 12.346 7.100
261 HG2 LYS 37 1HG LYS 37 9.236 13.906 7.794
262 HG3 LYS 37 2HG LYS 37 8.432 14.894 6.588
263 HD2 LYS 37 1HD LYS 37 6.863 15.468 8.787
264 HD3 LYS 37 2HD LYS 37 8.361 15.009 9.590
265 HE2 LYS 37 1HE LYS 37 8.690 17.299 9.299
266 HE3 LYS 37 2HE LYS 37 9.507 16.634 7.879
267 HZ1 LYS 37 3HZ LYS 37 6.849 17.928 8.011
268 HZ2 LYS 37 1HZ LYS 37 7.217 16.982 6.749
269 HZ3 LYS 37 2HZ LYS 37 8.108 18.341 7.055
Start of MODEL 5
1 H1 GLY 1 1H GLY 1 -5.901 -25.678 4.901
2 H2 GLY 1 2H GLY 1 -4.311 -26.022 4.711
3 H3 GLY 1 3H GLY 1 -5.134 -25.260 3.516
4 HA2 GLY 1 1HA GLY 1 -4.576 -24.140 6.186
5 HA3 GLY 1 2HA GLY 1 -3.725 -23.698 4.693
6 H SER 2 H SER 2 -5.205 -21.936 6.462
7 HA SER 2 HA SER 2 -7.728 -21.272 5.069
8 HB2 SER 2 1HB SER 2 -6.411 -20.032 7.507
9 HB3 SER 2 2HB SER 2 -8.009 -19.617 6.866
10 HG SER 2 HG SER 2 -7.178 -22.157 7.876
11 H SER 3 H SER 3 -4.482 -20.314 4.661
12 HA SER 3 HA SER 3 -4.772 -17.539 4.075
13 HB2 SER 3 1HB SER 3 -2.713 -19.504 3.003
14 HB3 SER 3 2HB SER 3 -2.574 -17.735 3.025
15 HG SER 3 HG SER 3 -1.493 -18.709 4.806
16 H GLY 4 H GLY 4 -4.807 -16.399 2.107
17 HA2 GLY 4 1HA GLY 4 -6.485 -17.436 0.013
18 HA3 GLY 4 2HA GLY 4 -5.623 -15.899 -0.006
19 H SER 5 H SER 5 -6.041 -18.025 -2.075
20 HA SER 5 HA SER 5 -3.221 -18.782 -2.738
21 HB2 SER 5 1HB SER 5 -5.825 -20.055 -3.637
22 HB3 SER 5 2HB SER 5 -4.195 -20.578 -4.092
23 HG SER 5 HG SER 5 -5.250 -20.493 -1.441
24 H SER 6 H SER 6 -4.907 -16.222 -3.448
25 HA SER 6 HA SER 6 -3.924 -15.977 -6.215
26 HB2 SER 6 1HB SER 6 -6.116 -15.136 -7.029
27 HB3 SER 6 2HB SER 6 -6.124 -16.851 -6.612
28 HG SER 6 HG SER 6 -7.963 -15.643 -5.860
29 H GLY 7 H GLY 7 -4.287 -13.705 -7.057
30 HA2 GLY 7 1HA GLY 7 -3.100 -11.819 -5.224
31 HA3 GLY 7 2HA GLY 7 -3.552 -11.531 -6.902
32 H ARG 8 H ARG 8 -5.037 -11.984 -3.704
33 HA ARG 8 HA ARG 8 -7.492 -10.552 -4.373
34 HB2 ARG 8 1HB ARG 8 -6.453 -11.730 -1.764
35 HB3 ARG 8 2HB ARG 8 -8.092 -11.103 -2.003
36 HG2 ARG 8 1HG ARG 8 -8.568 -12.779 -3.710
37 HG3 ARG 8 2HG ARG 8 -6.900 -13.345 -3.686
38 HD2 ARG 8 1HD ARG 8 -7.236 -13.949 -1.233
39 HD3 ARG 8 2HD ARG 8 -8.973 -13.671 -1.512
40 HE ARG 8 HE ARG 8 -7.770 -15.386 -3.530
41 HH11 ARG 8 2HH2 ARG 8 -9.104 -15.584 -0.291
42 HH12 ARG 8 1HH2 ARG 8 -9.452 -17.285 -0.451
43 HH21 ARG 8 1HH1 ARG 8 -8.287 -17.484 -3.693
44 HH22 ARG 8 2HH1 ARG 8 -8.998 -18.342 -2.353
45 H ALA 9 H ALA 9 -4.515 -9.391 -3.381
46 HA ALA 9 HA ALA 9 -5.641 -6.707 -2.840
47 HB1 ALA 9 1HB ALA 9 -4.003 -6.374 -1.008
48 HB2 ALA 9 2HB ALA 9 -5.186 -7.638 -0.610
49 HB3 ALA 9 3HB ALA 9 -3.534 -8.079 -1.112
50 H MET 10 H MET 10 -3.895 -5.029 -2.959
51 HA MET 10 HA MET 10 -2.104 -5.521 -5.262
52 HB2 MET 10 1HB MET 10 -2.140 -3.271 -5.611
53 HB3 MET 10 2HB MET 10 -3.691 -3.483 -4.804
54 HG2 MET 10 1HG MET 10 -2.875 -1.616 -3.760
55 HG3 MET 10 2HG MET 10 -2.416 -2.871 -2.622
56 HE1 MET 10 3HE MET 10 0.962 -1.630 -1.823
57 HE2 MET 10 1HE MET 10 -0.723 -1.807 -1.324
58 HE3 MET 10 2HE MET 10 0.200 -3.228 -1.823
59 H LYS 11 H LYS 11 0.203 -4.950 -5.128
60 HA LYS 11 HA LYS 11 1.368 -5.201 -2.383
61 HB2 LYS 11 1HB LYS 11 1.632 -7.213 -3.898
62 HB3 LYS 11 2HB LYS 11 2.688 -6.220 -4.917
63 HG2 LYS 11 1HG LYS 11 4.205 -5.839 -2.995
64 HG3 LYS 11 2HG LYS 11 3.073 -6.692 -1.926
65 HD2 LYS 11 1HD LYS 11 3.409 -8.757 -3.350
66 HD3 LYS 11 2HD LYS 11 4.706 -7.896 -4.206
67 HE2 LYS 11 1HE LYS 11 5.994 -7.634 -2.199
68 HE3 LYS 11 2HE LYS 11 4.615 -8.056 -1.175
69 HZ1 LYS 11 3HZ LYS 11 4.737 -10.312 -1.953
70 HZ2 LYS 11 1HZ LYS 11 6.168 -9.856 -1.298
71 HZ3 LYS 11 2HZ LYS 11 6.019 -9.978 -2.935
72 H CYS 12 H CYS 12 2.902 -3.837 -1.746
73 HA CYS 12 HA CYS 12 2.964 -1.245 -2.708
74 HB2 CYS 12 1HB CYS 12 3.426 -1.923 -0.438
75 HB3 CYS 12 2HB CYS 12 4.860 -2.818 -0.935
76 HA PRO 13 HA PRO 13 5.952 -1.335 -6.007
77 HB2 PRO 13 1HB PRO 13 6.344 1.379 -6.371
78 HB3 PRO 13 2HB PRO 13 4.942 0.442 -6.958
79 HG2 PRO 13 1HG PRO 13 5.127 2.212 -4.537
80 HG3 PRO 13 2HG PRO 13 3.748 1.960 -5.644
81 HD2 PRO 13 1HD PRO 13 3.970 0.794 -3.180
82 HD3 PRO 13 2HD PRO 13 3.026 0.109 -4.537
83 H TYR 14 H TYR 14 6.720 -0.513 -2.811
84 HA TYR 14 HA TYR 14 9.654 -0.338 -3.452
85 HB2 TYR 14 1HB TYR 14 8.100 1.041 -1.259
86 HB3 TYR 14 2HB TYR 14 9.851 1.027 -1.377
87 HD1 TYR 14 1HD TYR 14 6.736 2.268 -2.927
88 HD2 TYR 14 2HD TYR 14 11.039 2.457 -2.920
89 HE1 TYR 14 1HE TYR 14 6.663 4.253 -4.469
90 HE2 TYR 14 2HE TYR 14 10.963 4.469 -4.389
91 HH TYR 14 HH TYR 14 9.634 5.889 -5.601
92 H CYS 15 H CYS 15 7.231 -1.864 -1.344
93 HA CYS 15 HA CYS 15 9.386 -3.593 -0.245
94 HB2 CYS 15 1HB CYS 15 8.835 -3.265 1.993
95 HB3 CYS 15 2HB CYS 15 8.979 -1.664 1.299
96 H ASP 16 H ASP 16 8.057 -5.110 1.497
97 HA ASP 16 HA ASP 16 6.762 -6.975 -0.335
98 HB2 ASP 16 1HB ASP 16 8.617 -7.546 1.261
99 HB3 ASP 16 2HB ASP 16 7.484 -7.310 2.592
100 H PHE 17 H PHE 17 5.451 -4.520 1.528
101 HA PHE 17 HA PHE 17 3.300 -6.014 2.778
102 HB2 PHE 17 1HB PHE 17 4.576 -3.905 3.599
103 HB3 PHE 17 2HB PHE 17 3.436 -3.009 2.607
104 HD1 PHE 17 1HD PHE 17 3.844 -5.270 5.532
105 HD2 PHE 17 2HD PHE 17 1.092 -2.796 3.326
106 HE1 PHE 17 1HE PHE 17 2.220 -5.398 7.410
107 HE2 PHE 17 2HE PHE 17 -0.524 -2.913 5.201
108 HZ PHE 17 HZ PHE 17 0.034 -4.218 7.248
109 H TYR 18 H TYR 18 1.040 -5.657 2.564
110 HA TYR 18 HA TYR 18 0.133 -5.038 -0.207
111 HB2 TYR 18 1HB TYR 18 -0.928 -7.075 1.780
112 HB3 TYR 18 2HB TYR 18 -1.642 -6.724 0.219
113 HD1 TYR 18 2HD TYR 18 1.399 -8.107 1.886
114 HD2 TYR 18 1HD TYR 18 -0.813 -7.716 -1.796
115 HE1 TYR 18 2HE TYR 18 2.880 -9.771 0.821
116 HE2 TYR 18 1HE TYR 18 0.657 -9.390 -2.863
117 HH TYR 18 HH TYR 18 2.355 -10.923 -2.545
118 H PHE 19 H PHE 19 -1.870 -4.096 -0.575
119 HA PHE 19 HA PHE 19 -3.545 -3.235 1.718
120 HB2 PHE 19 1HB PHE 19 -2.486 -1.283 -0.360
121 HB3 PHE 19 2HB PHE 19 -3.871 -0.972 0.634
122 HD1 PHE 19 1HD PHE 19 -0.169 -1.551 0.837
123 HD2 PHE 19 2HD PHE 19 -3.725 -0.157 2.844
124 HE1 PHE 19 1HE PHE 19 1.229 -0.466 2.566
125 HE2 PHE 19 2HE PHE 19 -2.315 0.881 4.599
126 HZ PHE 19 HZ PHE 19 0.161 0.751 4.455
127 H MET 20 H MET 20 -5.695 -2.579 1.122
128 HA MET 20 HA MET 20 -6.790 -4.063 -1.164
129 HB2 MET 20 1HB MET 20 -8.167 -2.328 0.926
130 HB3 MET 20 2HB MET 20 -8.980 -3.325 -0.278
131 HG2 MET 20 1HG MET 20 -7.234 -4.275 2.014
132 HG3 MET 20 2HG MET 20 -8.969 -4.482 1.842
133 HE1 MET 20 3HE MET 20 -10.125 -6.145 0.108
134 HE2 MET 20 1HE MET 20 -9.241 -5.476 -1.285
135 HE3 MET 20 2HE MET 20 -9.231 -7.222 -0.983
136 H LYS 21 H LYS 21 -8.311 -3.092 -2.648
137 HA LYS 21 HA LYS 21 -7.004 -1.217 -4.259
138 HB2 LYS 21 1HB LYS 21 -8.884 -1.441 -5.764
139 HB3 LYS 21 2HB LYS 21 -8.478 -3.005 -5.065
140 HG2 LYS 21 1HG LYS 21 -10.384 -2.768 -3.453
141 HG3 LYS 21 2HG LYS 21 -10.792 -1.207 -4.188
142 HD2 LYS 21 1HD LYS 21 -11.157 -2.340 -6.371
143 HD3 LYS 21 2HD LYS 21 -10.762 -3.903 -5.611
144 HE2 LYS 21 1HE LYS 21 -12.653 -3.623 -4.038
145 HE3 LYS 21 2HE LYS 21 -13.045 -2.059 -4.764
146 HZ1 LYS 21 3HZ LYS 21 -13.503 -3.217 -6.860
147 HZ2 LYS 21 1HZ LYS 21 -14.435 -3.830 -5.672
148 HZ3 LYS 21 2HZ LYS 21 -13.134 -4.665 -6.195
149 H ASN 22 H ASN 22 -9.035 -0.342 -1.662
150 HA ASN 22 HA ASN 22 -10.086 2.154 -2.622
151 HB2 ASN 22 1HB ASN 22 -9.355 1.236 0.204
152 HB3 ASN 22 2HB ASN 22 -10.325 2.654 -0.185
153 HD21 ASN 22 1HD2 ASN 22 -12.475 2.333 -1.138
154 HD22 ASN 22 2HD2 ASN 22 -13.265 0.776 -0.941
155 H GLY 23 H GLY 23 -6.924 1.290 -1.257
156 HA2 GLY 23 1HA GLY 23 -4.905 2.293 -1.443
157 HA3 GLY 23 2HA GLY 23 -5.620 3.403 -2.607
158 H SER 24 H SER 24 -7.305 3.985 0.231
159 HA SER 24 HA SER 24 -6.407 6.582 0.427
160 HB2 SER 24 1HB SER 24 -7.674 5.009 2.701
161 HB3 SER 24 2HB SER 24 -7.731 6.763 2.447
162 HG SER 24 HG SER 24 -9.641 5.741 1.705
163 H ASP 25 H ASP 25 -5.309 3.889 2.524
164 HA ASP 25 HA ASP 25 -3.327 5.681 3.824
165 HB2 ASP 25 1HB ASP 25 -4.792 4.070 5.112
166 HB3 ASP 25 2HB ASP 25 -3.866 2.755 4.387
167 H LEU 26 H LEU 26 -3.450 3.353 1.244
168 HA LEU 26 HA LEU 26 -0.692 2.574 1.144
169 HB2 LEU 26 1HB LEU 26 -2.402 1.397 -0.129
170 HB3 LEU 26 2HB LEU 26 -2.812 2.871 -1.006
171 HG LEU 26 HG LEU 26 -0.618 2.901 -2.109
172 HD11 LEU 26 1HD1 LEU 26 0.826 0.860 -1.979
173 HD12 LEU 26 2HD1 LEU 26 -0.172 0.287 -0.629
174 HD13 LEU 26 3HD1 LEU 26 0.790 1.760 -0.457
175 HD21 LEU 26 3HD2 LEU 26 -2.521 1.793 -3.166
176 HD22 LEU 26 1HD2 LEU 26 -2.098 0.267 -2.358
177 HD23 LEU 26 2HD2 LEU 26 -0.999 0.984 -3.563
178 H GLN 27 H GLN 27 -2.452 5.399 -0.234
179 HA GLN 27 HA GLN 27 -0.297 6.580 -1.650
180 HB2 GLN 27 1HB GLN 27 -2.650 7.805 -0.149
181 HB3 GLN 27 2HB GLN 27 -1.501 8.762 -1.094
182 HG2 GLN 27 1HG GLN 27 -2.047 7.508 -3.129
183 HG3 GLN 27 2HG GLN 27 -3.157 6.471 -2.235
184 HE21 GLN 27 1HE2 GLN 27 -2.599 9.915 -3.173
185 HE22 GLN 27 2HE2 GLN 27 -4.309 10.327 -3.140
186 H ARG 28 H ARG 28 -1.136 6.903 1.811
187 HA ARG 28 HA ARG 28 1.057 8.656 2.517
188 HB2 ARG 28 1HB ARG 28 -0.525 6.762 4.315
189 HB3 ARG 28 2HB ARG 28 0.460 8.139 4.821
190 HG2 ARG 28 1HG ARG 28 -1.053 9.641 3.490
191 HG3 ARG 28 2HG ARG 28 -2.102 8.252 3.162
192 HD2 ARG 28 1HD ARG 28 -2.422 7.907 5.593
193 HD3 ARG 28 2HD ARG 28 -1.433 9.324 5.938
194 HE ARG 28 HE ARG 28 -4.189 9.244 4.887
195 HH11 ARG 28 2HH1 ARG 28 -1.442 11.362 5.422
196 HH12 ARG 28 1HH1 ARG 28 -2.421 12.799 5.312
197 HH21 ARG 28 2HH2 ARG 28 -5.368 11.115 4.768
198 HH22 ARG 28 1HH2 ARG 28 -4.581 12.656 4.952
199 H HIS 29 H HIS 29 0.648 5.145 2.732
200 HA HIS 29 HA HIS 29 3.185 4.482 3.826
201 HB2 HIS 29 1HB HIS 29 1.281 2.949 3.684
202 HB3 HIS 29 2HB HIS 29 1.371 2.947 1.926
203 HD1 HIS 29 1HD HIS 29 3.113 1.423 4.959
204 HD2 HIS 29 2HD HIS 29 3.282 1.483 0.758
205 HE1 HIS 29 1HE HIS 29 4.648 -0.489 4.304
206 H ILE 30 H ILE 30 2.281 4.987 0.383
207 HA ILE 30 HA ILE 30 4.949 4.385 -0.612
208 HB ILE 30 HB ILE 30 2.483 5.684 -1.820
209 HG12 ILE 30 1HG1 ILE 30 3.910 3.050 -2.451
210 HG13 ILE 30 2HG1 ILE 30 2.547 3.181 -1.341
211 HG21 ILE 30 1HG2 ILE 30 4.378 6.748 -2.909
212 HG22 ILE 30 2HG2 ILE 30 5.185 5.172 -3.109
213 HG23 ILE 30 3HG2 ILE 30 3.712 5.564 -4.025
214 HD11 ILE 30 3HD1 ILE 30 2.502 3.779 -4.317
215 HD12 ILE 30 1HD1 ILE 30 1.663 2.491 -3.456
216 HD13 ILE 30 2HD1 ILE 30 1.185 4.195 -3.189
217 H TRP 31 H TRP 31 3.187 7.483 -0.152
218 HA TRP 31 HA TRP 31 5.290 9.252 -0.737
219 HB2 TRP 31 1HB TRP 31 3.060 9.385 1.296
220 HB3 TRP 31 2HB TRP 31 4.140 10.736 1.004
221 HD1 TRP 31 1HD TRP 31 4.200 10.233 -2.254
222 HE1 TRP 31 1HE TRP 31 2.238 11.019 -3.633
223 HE3 TRP 31 3HE TRP 31 0.720 10.680 1.492
224 HZ2 TRP 31 2HZ TRP 31 -0.530 11.796 -3.202
225 HZ3 TRP 31 3HZ TRP 31 -1.580 11.458 0.968
226 HH2 TRP 31 2HH TRP 31 -2.217 12.020 -1.366
227 H ALA 32 H ALA 32 4.895 7.274 2.168
228 HA ALA 32 HA ALA 32 7.031 8.512 3.673
229 HB1 ALA 32 1HB ALA 32 5.210 7.218 4.724
230 HB2 ALA 32 2HB ALA 32 5.771 5.744 3.902
231 HB3 ALA 32 3HB ALA 32 6.795 6.526 5.125
232 H HIS 33 H HIS 33 6.961 5.676 1.435
233 HA HIS 33 HA HIS 33 9.773 5.033 1.708
234 HB2 HIS 33 1HB HIS 33 7.794 4.517 -0.545
235 HB3 HIS 33 2HB HIS 33 9.441 3.918 -0.505
236 HD1 HIS 33 1HD HIS 33 9.920 2.421 1.983
237 HD2 HIS 33 2HD HIS 33 6.159 2.647 0.137
238 HE1 HIS 33 1HE HIS 33 8.663 0.351 2.731
239 H GLU 34 H GLU 34 7.964 7.285 -0.394
240 HA GLU 34 HA GLU 34 10.306 8.222 -1.842
241 HB2 GLU 34 1HB GLU 34 7.517 9.385 -1.485
242 HB3 GLU 34 2HB GLU 34 8.763 10.086 -2.522
243 HG2 GLU 34 1HG GLU 34 8.910 7.900 -3.753
244 HG3 GLU 34 2HG GLU 34 7.502 7.338 -2.844
245 H GLY 35 H GLY 35 9.535 8.690 1.408
246 HA2 GLY 35 1HA GLY 35 10.601 9.937 3.007
247 HA3 GLY 35 2HA GLY 35 11.641 10.629 1.761
248 H VAL 36 H VAL 36 8.136 10.972 1.530
249 HA VAL 36 HA VAL 36 8.274 13.861 1.443
250 HB VAL 36 HB VAL 36 5.868 12.017 1.657
251 HG11 VAL 36 1HG1 VAL 36 4.602 13.891 0.635
252 HG12 VAL 36 2HG1 VAL 36 5.201 14.294 2.241
253 HG13 VAL 36 3HG1 VAL 36 6.030 14.937 0.801
254 HG21 VAL 36 3HG2 VAL 36 7.167 13.286 -0.796
255 HG22 VAL 36 1HG2 VAL 36 7.208 11.561 -0.379
256 HG23 VAL 36 2HG2 VAL 36 5.671 12.324 -0.786
257 H LYS 37 H LYS 37 7.754 15.376 2.927
258 HA LYS 37 HA LYS 37 6.883 14.629 5.680
259 HB2 LYS 37 1HB LYS 37 9.257 16.404 4.968
260 HB3 LYS 37 2HB LYS 37 8.534 16.268 6.574
261 HG2 LYS 37 1HG LYS 37 9.075 13.843 6.628
262 HG3 LYS 37 2HG LYS 37 9.844 13.983 5.035
263 HD2 LYS 37 1HD LYS 37 11.455 15.633 5.957
264 HD3 LYS 37 2HD LYS 37 10.705 15.459 7.561
265 HE2 LYS 37 1HE LYS 37 11.252 13.034 7.547
266 HE3 LYS 37 2HE LYS 37 11.993 13.206 5.950
267 HZ1 LYS 37 3HZ LYS 37 13.625 14.722 6.943
268 HZ2 LYS 37 1HZ LYS 37 13.662 13.284 7.711
269 HZ3 LYS 37 2HZ LYS 37 12.941 14.564 8.419
Start of MODEL 6
1 H1 GLY 1 1H GLY 1 1.541 -23.259 -8.139
2 H2 GLY 1 2H GLY 1 2.102 -22.861 -6.649
3 H3 GLY 1 3H GLY 1 1.785 -21.686 -7.744
4 HA2 GLY 1 1HA GLY 1 -0.566 -22.185 -7.704
5 HA3 GLY 1 2HA GLY 1 -0.228 -23.470 -6.531
6 H SER 2 H SER 2 -2.057 -21.499 -5.933
7 HA SER 2 HA SER 2 -0.897 -19.365 -4.327
8 HB2 SER 2 1HB SER 2 -3.269 -18.965 -3.679
9 HB3 SER 2 2HB SER 2 -2.978 -18.957 -5.424
10 HG SER 2 HG SER 2 -4.839 -20.177 -4.887
11 H SER 3 H SER 3 -1.316 -19.058 -2.048
12 HA SER 3 HA SER 3 -1.859 -21.405 -0.361
13 HB2 SER 3 1HB SER 3 0.601 -21.498 -0.875
14 HB3 SER 3 2HB SER 3 0.779 -19.910 -0.109
15 HG SER 3 HG SER 3 1.190 -21.680 1.334
16 H GLY 4 H GLY 4 -2.281 -20.853 1.823
17 HA2 GLY 4 1HA GLY 4 -3.005 -19.584 3.603
18 HA3 GLY 4 2HA GLY 4 -2.294 -18.159 2.851
19 H SER 5 H SER 5 -3.793 -18.033 0.467
20 HA SER 5 HA SER 5 -6.676 -18.136 1.062
21 HB2 SER 5 1HB SER 5 -5.975 -15.946 1.989
22 HB3 SER 5 2HB SER 5 -5.281 -15.504 0.417
23 HG SER 5 HG SER 5 -7.481 -14.739 0.859
24 H SER 6 H SER 6 -7.980 -17.986 -0.779
25 HA SER 6 HA SER 6 -6.711 -18.391 -3.424
26 HB2 SER 6 1HB SER 6 -9.024 -18.884 -4.150
27 HB3 SER 6 2HB SER 6 -8.482 -19.916 -2.816
28 HG SER 6 HG SER 6 -10.608 -19.094 -2.474
29 H GLY 7 H GLY 7 -7.823 -15.759 -1.584
30 HA2 GLY 7 1HA GLY 7 -8.900 -14.077 -3.707
31 HA3 GLY 7 2HA GLY 7 -8.474 -13.593 -2.069
32 H ARG 8 H ARG 8 -7.923 -11.760 -3.738
33 HA ARG 8 HA ARG 8 -4.966 -11.760 -4.183
34 HB2 ARG 8 1HB ARG 8 -7.074 -10.702 -6.117
35 HB3 ARG 8 2HB ARG 8 -5.335 -10.418 -6.254
36 HG2 ARG 8 1HG ARG 8 -4.955 -12.885 -6.410
37 HG3 ARG 8 2HG ARG 8 -6.705 -13.143 -6.416
38 HD2 ARG 8 1HD ARG 8 -5.164 -11.488 -8.457
39 HD3 ARG 8 2HD ARG 8 -5.677 -13.169 -8.687
40 HE ARG 8 HE ARG 8 -8.013 -11.785 -8.029
41 HH11 ARG 8 2HH1 ARG 8 -5.711 -11.615 -10.665
42 HH12 ARG 8 1HH1 ARG 8 -6.899 -11.007 -11.785
43 HH21 ARG 8 2HH2 ARG 8 -9.476 -10.999 -9.507
44 HH22 ARG 8 1HH2 ARG 8 -8.974 -10.676 -11.140
45 H ALA 9 H ALA 9 -3.987 -9.709 -4.189
46 HA ALA 9 HA ALA 9 -5.451 -7.347 -3.210
47 HB1 ALA 9 1HB ALA 9 -4.795 -8.513 -1.126
48 HB2 ALA 9 2HB ALA 9 -3.107 -8.592 -1.695
49 HB3 ALA 9 3HB ALA 9 -3.855 -7.024 -1.345
50 H MET 10 H MET 10 -3.898 -5.434 -3.085
51 HA MET 10 HA MET 10 -2.068 -5.415 -5.411
52 HB2 MET 10 1HB MET 10 -2.333 -3.173 -5.472
53 HB3 MET 10 2HB MET 10 -3.824 -3.581 -4.632
54 HG2 MET 10 1HG MET 10 -3.054 -1.799 -3.401
55 HG3 MET 10 2HG MET 10 -2.476 -3.158 -2.450
56 HE1 MET 10 3HE MET 10 0.869 -1.751 -1.662
57 HE2 MET 10 1HE MET 10 -0.795 -1.893 -1.102
58 HE3 MET 10 2HE MET 10 0.075 -3.336 -1.665
59 H LYS 11 H LYS 11 0.180 -4.944 -5.203
60 HA LYS 11 HA LYS 11 1.349 -5.264 -2.464
61 HB2 LYS 11 1HB LYS 11 1.730 -7.192 -4.070
62 HB3 LYS 11 2HB LYS 11 2.721 -6.093 -5.044
63 HG2 LYS 11 1HG LYS 11 4.207 -5.693 -3.097
64 HG3 LYS 11 2HG LYS 11 3.148 -6.684 -2.078
65 HD2 LYS 11 1HD LYS 11 3.662 -8.652 -3.586
66 HD3 LYS 11 2HD LYS 11 4.859 -7.632 -4.421
67 HE2 LYS 11 1HE LYS 11 6.073 -7.261 -2.337
68 HE3 LYS 11 2HE LYS 11 4.795 -8.053 -1.403
69 HZ1 LYS 11 3HZ LYS 11 5.339 -10.132 -2.539
70 HZ2 LYS 11 1HZ LYS 11 6.599 -9.544 -1.672
71 HZ3 LYS 11 2HZ LYS 11 6.599 -9.416 -3.317
72 H CYS 12 H CYS 12 2.824 -3.854 -1.778
73 HA CYS 12 HA CYS 12 2.795 -1.234 -2.678
74 HB2 CYS 12 1HB CYS 12 3.315 -1.934 -0.426
75 HB3 CYS 12 2HB CYS 12 4.773 -2.772 -0.970
76 HA PRO 13 HA PRO 13 5.712 -1.231 -6.040
77 HB2 PRO 13 1HB PRO 13 6.036 1.508 -6.365
78 HB3 PRO 13 2HB PRO 13 4.664 0.533 -6.962
79 HG2 PRO 13 1HG PRO 13 4.799 2.264 -4.506
80 HG3 PRO 13 2HG PRO 13 3.428 2.000 -5.621
81 HD2 PRO 13 1HD PRO 13 3.628 0.775 -3.193
82 HD3 PRO 13 2HD PRO 13 2.783 0.065 -4.595
83 H TYR 14 H TYR 14 6.546 -0.412 -2.866
84 HA TYR 14 HA TYR 14 9.461 -0.179 -3.575
85 HB2 TYR 14 1HB TYR 14 7.912 1.182 -1.369
86 HB3 TYR 14 2HB TYR 14 9.661 1.201 -1.500
87 HD1 TYR 14 1HD TYR 14 6.510 2.346 -3.062
88 HD2 TYR 14 2HD TYR 14 10.804 2.675 -3.034
89 HE1 TYR 14 1HE TYR 14 6.374 4.291 -4.638
90 HE2 TYR 14 2HE TYR 14 10.663 4.669 -4.532
91 HH TYR 14 HH TYR 14 7.540 5.862 -5.820
92 H CYS 15 H CYS 15 7.102 -1.749 -1.425
93 HA CYS 15 HA CYS 15 9.310 -3.432 -0.360
94 HB2 CYS 15 1HB CYS 15 8.799 -3.109 1.888
95 HB3 CYS 15 2HB CYS 15 8.899 -1.506 1.186
96 H ASP 16 H ASP 16 7.998 -4.943 1.443
97 HA ASP 16 HA ASP 16 6.751 -6.837 -0.400
98 HB2 ASP 16 1HB ASP 16 8.657 -7.351 1.176
99 HB3 ASP 16 2HB ASP 16 7.502 -7.245 2.505
100 H PHE 17 H PHE 17 5.404 -4.480 1.588
101 HA PHE 17 HA PHE 17 3.265 -6.019 2.791
102 HB2 PHE 17 1HB PHE 17 3.886 -3.073 2.579
103 HB3 PHE 17 2HB PHE 17 2.339 -3.617 3.185
104 HD1 PHE 17 2HD PHE 17 6.031 -3.951 3.817
105 HD2 PHE 17 1HD PHE 17 2.041 -4.346 5.410
106 HE1 PHE 17 2HE PHE 17 6.970 -4.300 6.085
107 HE2 PHE 17 1HE PHE 17 2.986 -4.696 7.679
108 HZ PHE 17 HZ PHE 17 5.450 -4.676 8.020
109 H TYR 18 H TYR 18 1.071 -5.923 2.480
110 HA TYR 18 HA TYR 18 0.131 -5.327 -0.282
111 HB2 TYR 18 1HB TYR 18 -0.860 -7.428 1.674
112 HB3 TYR 18 2HB TYR 18 -1.512 -7.128 0.071
113 HD1 TYR 18 2HD TYR 18 -0.264 -7.740 -1.961
114 HD2 TYR 18 1HD TYR 18 1.270 -8.605 1.976
115 HE1 TYR 18 2HE TYR 18 1.407 -9.260 -2.954
116 HE2 TYR 18 1HE TYR 18 2.950 -10.128 0.988
117 HH TYR 18 HH TYR 18 3.716 -11.138 -0.915
118 H PHE 19 H PHE 19 -1.914 -4.513 -0.616
119 HA PHE 19 HA PHE 19 -3.614 -3.767 1.715
120 HB2 PHE 19 1HB PHE 19 -2.829 -1.862 -0.522
121 HB3 PHE 19 2HB PHE 19 -4.261 -1.667 0.435
122 HD1 PHE 19 1HD PHE 19 -0.527 -2.110 1.069
123 HD2 PHE 19 2HD PHE 19 -4.223 -0.168 2.170
124 HE1 PHE 19 1HE PHE 19 0.697 -0.685 2.672
125 HE2 PHE 19 2HE PHE 19 -2.984 1.252 3.773
126 HZ PHE 19 HZ PHE 19 -0.525 1.007 4.026
127 H MET 20 H MET 20 -5.809 -3.930 1.331
128 HA MET 20 HA MET 20 -6.663 -5.050 -1.297
129 HB2 MET 20 1HB MET 20 -7.284 -6.359 0.671
130 HB3 MET 20 2HB MET 20 -8.120 -4.953 1.358
131 HG2 MET 20 1HG MET 20 -9.659 -6.576 0.321
132 HG3 MET 20 2HG MET 20 -9.763 -4.978 -0.403
133 HE1 MET 20 3HE MET 20 -10.652 -7.407 -3.366
134 HE2 MET 20 1HE MET 20 -11.046 -7.622 -1.645
135 HE3 MET 20 2HE MET 20 -11.184 -6.014 -2.398
136 H LYS 21 H LYS 21 -7.817 -3.913 -2.646
137 HA LYS 21 HA LYS 21 -8.582 -2.152 -3.792
138 HB2 LYS 21 1HB LYS 21 -9.939 -1.325 -1.200
139 HB3 LYS 21 2HB LYS 21 -10.291 -0.666 -2.795
140 HG2 LYS 21 1HG LYS 21 -10.965 -2.911 -3.603
141 HG3 LYS 21 2HG LYS 21 -10.660 -3.581 -1.989
142 HD2 LYS 21 1HD LYS 21 -12.356 -2.047 -1.024
143 HD3 LYS 21 2HD LYS 21 -12.679 -1.393 -2.645
144 HE2 LYS 21 1HE LYS 21 -13.340 -3.664 -3.420
145 HE3 LYS 21 2HE LYS 21 -13.024 -4.309 -1.803
146 HZ1 LYS 21 3HZ LYS 21 -15.382 -3.818 -2.112
147 HZ2 LYS 21 1HZ LYS 21 -15.072 -2.251 -2.443
148 HZ3 LYS 21 2HZ LYS 21 -14.779 -2.846 -0.949
149 H ASN 22 H ASN 22 -8.718 0.321 -3.954
150 HA ASN 22 HA ASN 22 -6.115 1.479 -3.206
151 HB2 ASN 22 1HB ASN 22 -6.718 3.278 -4.699
152 HB3 ASN 22 2HB ASN 22 -7.029 1.747 -5.500
153 HD21 ASN 22 1HD2 ASN 22 -8.425 4.767 -4.577
154 HD22 ASN 22 2HD2 ASN 22 -10.076 4.350 -5.003
155 H GLY 23 H GLY 23 -5.893 3.508 -2.069
156 HA2 GLY 23 1HA GLY 23 -7.980 4.991 -0.892
157 HA3 GLY 23 2HA GLY 23 -7.485 3.787 0.298
158 H SER 24 H SER 24 -7.285 6.509 0.780
159 HA SER 24 HA SER 24 -4.845 7.749 0.139
160 HB2 SER 24 1HB SER 24 -6.524 8.151 2.642
161 HB3 SER 24 2HB SER 24 -5.358 9.297 1.950
162 HG SER 24 HG SER 24 -7.523 9.776 1.329
163 H ASP 25 H ASP 25 -5.437 5.337 2.666
164 HA ASP 25 HA ASP 25 -3.023 5.920 4.145
165 HB2 ASP 25 1HB ASP 25 -5.080 4.740 5.015
166 HB3 ASP 25 2HB ASP 25 -4.576 3.315 4.099
167 H LEU 26 H LEU 26 -3.670 3.937 1.275
168 HA LEU 26 HA LEU 26 -1.015 2.705 1.253
169 HB2 LEU 26 1HB LEU 26 -2.809 1.595 0.056
170 HB3 LEU 26 2HB LEU 26 -3.134 3.044 -0.899
171 HG LEU 26 HG LEU 26 -0.931 2.866 -1.997
172 HD11 LEU 26 1HD1 LEU 26 0.418 0.789 -1.745
173 HD12 LEU 26 2HD1 LEU 26 -0.615 0.309 -0.382
174 HD13 LEU 26 3HD1 LEU 26 0.411 1.748 -0.265
175 HD21 LEU 26 3HD2 LEU 26 -2.881 1.755 -2.995
176 HD22 LEU 26 1HD2 LEU 26 -2.488 0.264 -2.104
177 HD23 LEU 26 2HD2 LEU 26 -1.368 0.899 -3.337
178 H GLN 27 H GLN 27 -2.543 5.629 -0.180
179 HA GLN 27 HA GLN 27 -0.220 6.494 -1.622
180 HB2 GLN 27 1HB GLN 27 -2.398 8.215 -0.372
181 HB3 GLN 27 2HB GLN 27 -1.231 8.737 -1.579
182 HG2 GLN 27 1HG GLN 27 -3.356 6.592 -2.013
183 HG3 GLN 27 2HG GLN 27 -3.473 8.264 -2.528
184 HE21 GLN 27 1HE2 GLN 27 -3.811 6.335 -4.444
185 HE22 GLN 27 2HE2 GLN 27 -2.400 6.312 -5.493
186 H ARG 28 H ARG 28 -1.258 7.235 1.756
187 HA ARG 28 HA ARG 28 1.027 8.692 2.584
188 HB2 ARG 28 1HB ARG 28 -1.176 8.389 3.757
189 HB3 ARG 28 2HB ARG 28 -0.695 6.741 4.162
190 HG2 ARG 28 1HG ARG 28 1.271 7.692 5.447
191 HG3 ARG 28 2HG ARG 28 0.673 9.315 5.051
192 HD2 ARG 28 1HD ARG 28 -0.200 8.837 7.222
193 HD3 ARG 28 2HD ARG 28 -1.542 8.647 6.089
194 HE ARG 28 HE ARG 28 -1.630 6.344 6.535
195 HH11 ARG 28 2HH2 ARG 28 1.304 7.533 8.082
196 HH12 ARG 28 1HH2 ARG 28 1.542 6.015 8.906
197 HH21 ARG 28 2HH1 ARG 28 -1.290 4.582 7.520
198 HH22 ARG 28 1HH1 ARG 28 0.081 4.329 8.608
199 H HIS 29 H HIS 29 0.511 5.128 2.716
200 HA HIS 29 HA HIS 29 3.035 4.450 3.823
201 HB2 HIS 29 1HB HIS 29 1.139 2.920 3.711
202 HB3 HIS 29 2HB HIS 29 1.182 2.922 1.952
203 HD1 HIS 29 1HD HIS 29 2.958 1.347 4.932
204 HD2 HIS 29 2HD HIS 29 3.114 1.499 0.733
205 HE1 HIS 29 1HE HIS 29 4.533 -0.519 4.232
206 H ILE 30 H ILE 30 2.145 4.998 0.394
207 HA ILE 30 HA ILE 30 4.775 4.304 -0.626
208 HB ILE 30 HB ILE 30 2.341 5.685 -1.796
209 HG12 ILE 30 1HG1 ILE 30 3.660 3.003 -2.442
210 HG13 ILE 30 2HG1 ILE 30 2.338 3.179 -1.293
211 HG21 ILE 30 1HG2 ILE 30 3.537 5.501 -4.022
212 HG22 ILE 30 2HG2 ILE 30 4.231 6.689 -2.926
213 HG23 ILE 30 3HG2 ILE 30 5.012 5.103 -3.110
214 HD11 ILE 30 3HD1 ILE 30 1.366 2.505 -3.363
215 HD12 ILE 30 1HD1 ILE 30 0.946 4.221 -3.096
216 HD13 ILE 30 2HD1 ILE 30 2.215 3.767 -4.265
217 H TRP 31 H TRP 31 3.141 7.455 -0.151
218 HA TRP 31 HA TRP 31 5.291 9.158 -0.768
219 HB2 TRP 31 1HB TRP 31 3.057 9.392 1.261
220 HB3 TRP 31 2HB TRP 31 4.168 10.708 0.924
221 HD1 TRP 31 1HD TRP 31 4.257 10.205 -2.289
222 HE1 TRP 31 1HE TRP 31 2.310 10.959 -3.712
223 HE3 TRP 31 3HE TRP 31 0.696 10.618 1.383
224 HZ2 TRP 31 2HZ TRP 31 -0.475 11.708 -3.337
225 HZ3 TRP 31 3HZ TRP 31 -1.600 11.372 0.812
226 HH2 TRP 31 2HH TRP 31 -2.197 11.919 -1.538
227 H ALA 32 H ALA 32 4.848 7.215 2.147
228 HA ALA 32 HA ALA 32 6.967 8.430 3.684
229 HB1 ALA 32 1HB ALA 32 5.717 5.654 3.863
230 HB2 ALA 32 2HB ALA 32 6.716 6.430 5.108
231 HB3 ALA 32 3HB ALA 32 5.134 7.117 4.691
232 H HIS 33 H HIS 33 6.940 5.695 1.341
233 HA HIS 33 HA HIS 33 9.753 5.031 1.695
234 HB2 HIS 33 1HB HIS 33 7.843 4.504 -0.614
235 HB3 HIS 33 2HB HIS 33 9.477 3.876 -0.483
236 HD1 HIS 33 1HD HIS 33 9.813 2.392 2.023
237 HD2 HIS 33 2HD HIS 33 6.116 2.729 0.064
238 HE1 HIS 33 1HE HIS 33 8.453 0.385 2.770
239 H GLU 34 H GLU 34 7.950 7.259 -0.436
240 HA GLU 34 HA GLU 34 10.311 8.272 -1.799
241 HB2 GLU 34 1HB GLU 34 7.512 9.421 -1.477
242 HB3 GLU 34 2HB GLU 34 8.778 10.119 -2.491
243 HG2 GLU 34 1HG GLU 34 8.924 7.931 -3.730
244 HG3 GLU 34 2HG GLU 34 7.502 7.379 -2.839
245 H GLY 35 H GLY 35 9.513 8.600 1.439
246 HA2 GLY 35 1HA GLY 35 10.591 9.762 3.090
247 HA3 GLY 35 2HA GLY 35 11.598 10.543 1.870
248 H VAL 36 H VAL 36 8.129 10.897 1.599
249 HA VAL 36 HA VAL 36 8.245 13.783 1.762
250 HB VAL 36 HB VAL 36 5.847 11.918 1.689
251 HG11 VAL 36 1HG1 VAL 36 6.048 14.889 1.045
252 HG12 VAL 36 2HG1 VAL 36 4.641 13.858 0.709
253 HG13 VAL 36 3HG1 VAL 36 5.124 14.148 2.376
254 HG21 VAL 36 3HG2 VAL 36 5.798 12.398 -0.739
255 HG22 VAL 36 1HG2 VAL 36 7.296 13.342 -0.588
256 HG23 VAL 36 2HG2 VAL 36 7.299 11.593 -0.290
257 H LYS 37 H LYS 37 7.437 15.179 3.305
258 HA LYS 37 HA LYS 37 6.819 14.123 6.035
259 HB2 LYS 37 1HB LYS 37 8.830 16.304 5.350
260 HB3 LYS 37 2HB LYS 37 8.357 15.801 6.977
261 HG2 LYS 37 1HG LYS 37 9.274 13.534 6.562
262 HG3 LYS 37 2HG LYS 37 9.715 14.020 4.919
263 HD2 LYS 37 1HD LYS 37 11.210 15.806 5.890
264 HD3 LYS 37 2HD LYS 37 10.853 15.149 7.493
265 HE2 LYS 37 1HE LYS 37 12.938 14.198 6.795
266 HE3 LYS 37 2HE LYS 37 11.726 12.916 6.733
267 HZ1 LYS 37 3HZ LYS 37 13.125 12.925 4.743
268 HZ2 LYS 37 1HZ LYS 37 12.715 14.462 4.388
269 HZ3 LYS 37 2HZ LYS 37 11.591 13.274 4.301
Start of MODEL 7
1 H1 GLY 1 1H GLY 1 8.251 -15.605 -1.048
2 H2 GLY 1 2H GLY 1 7.338 -16.224 -2.259
3 H3 GLY 1 3H GLY 1 8.421 -17.176 -1.481
4 HA2 GLY 1 1HA GLY 1 7.181 -17.025 0.574
5 HA3 GLY 1 2HA GLY 1 6.018 -15.975 -0.255
6 H SER 2 H SER 2 6.006 -18.845 0.993
7 HA SER 2 HA SER 2 5.518 -20.679 -1.145
8 HB2 SER 2 1HB SER 2 4.696 -20.891 1.772
9 HB3 SER 2 2HB SER 2 4.852 -22.223 0.613
10 HG SER 2 HG SER 2 6.722 -22.005 1.932
11 H SER 3 H SER 3 3.352 -18.409 0.354
12 HA SER 3 HA SER 3 1.016 -19.548 -1.121
13 HB2 SER 3 1HB SER 3 0.981 -18.558 1.757
14 HB3 SER 3 2HB SER 3 -0.435 -19.029 0.801
15 HG SER 3 HG SER 3 0.313 -20.728 2.166
16 H GLY 4 H GLY 4 -0.415 -18.066 -1.938
17 HA2 GLY 4 1HA GLY 4 0.451 -15.278 -2.218
18 HA3 GLY 4 2HA GLY 4 -0.939 -16.042 -2.978
19 H SER 5 H SER 5 -1.093 -13.482 -1.971
20 HA SER 5 HA SER 5 -2.507 -13.471 0.598
21 HB2 SER 5 1HB SER 5 -2.867 -11.059 0.037
22 HB3 SER 5 2HB SER 5 -1.172 -11.566 0.116
23 HG SER 5 HG SER 5 -1.494 -10.304 -1.716
24 H SER 6 H SER 6 -4.711 -12.796 0.860
25 HA SER 6 HA SER 6 -6.485 -14.255 -0.876
26 HB2 SER 6 1HB SER 6 -7.123 -12.427 1.464
27 HB3 SER 6 2HB SER 6 -8.234 -13.581 0.701
28 HG SER 6 HG SER 6 -7.232 -14.457 2.577
29 H GLY 7 H GLY 7 -8.034 -13.611 -2.286
30 HA2 GLY 7 1HA GLY 7 -9.330 -12.302 -3.668
31 HA3 GLY 7 2HA GLY 7 -9.153 -10.998 -2.501
32 H ARG 8 H ARG 8 -9.230 -9.653 -4.417
33 HA ARG 8 HA ARG 8 -6.864 -9.548 -6.198
34 HB2 ARG 8 1HB ARG 8 -9.339 -7.783 -6.100
35 HB3 ARG 8 2HB ARG 8 -8.077 -7.733 -7.326
36 HG2 ARG 8 1HG ARG 8 -10.049 -9.992 -6.806
37 HG3 ARG 8 2HG ARG 8 -9.997 -8.917 -8.197
38 HD2 ARG 8 1HD ARG 8 -7.938 -11.041 -7.476
39 HD3 ARG 8 2HD ARG 8 -9.149 -11.138 -8.759
40 HE ARG 8 HE ARG 8 -7.732 -8.835 -9.367
41 HH11 ARG 8 1HH1 ARG 8 -6.827 -12.201 -9.022
42 HH12 ARG 8 2HH1 ARG 8 -5.482 -12.046 -10.120
43 HH21 ARG 8 2HH2 ARG 8 -5.994 -8.705 -10.752
44 HH22 ARG 8 1HH2 ARG 8 -5.035 -10.119 -11.074
45 H ALA 9 H ALA 9 -5.708 -9.355 -4.004
46 HA ALA 9 HA ALA 9 -5.560 -6.769 -2.750
47 HB1 ALA 9 1HB ALA 9 -4.977 -8.864 -1.602
48 HB2 ALA 9 2HB ALA 9 -3.606 -9.097 -2.716
49 HB3 ALA 9 3HB ALA 9 -3.618 -7.723 -1.590
50 H MET 10 H MET 10 -3.624 -5.517 -2.541
51 HA MET 10 HA MET 10 -2.213 -4.938 -5.115
52 HB2 MET 10 1HB MET 10 -3.993 -3.357 -4.079
53 HB3 MET 10 2HB MET 10 -2.833 -3.045 -2.804
54 HG2 MET 10 1HG MET 10 -2.524 -2.503 -5.771
55 HG3 MET 10 2HG MET 10 -2.883 -1.322 -4.523
56 HE1 MET 10 3HE MET 10 0.644 -1.247 -2.595
57 HE2 MET 10 1HE MET 10 -1.108 -1.237 -2.315
58 HE3 MET 10 2HE MET 10 -0.208 -2.765 -2.372
59 H LYS 11 H LYS 11 0.056 -4.831 -5.006
60 HA LYS 11 HA LYS 11 1.378 -5.175 -2.333
61 HB2 LYS 11 1HB LYS 11 1.562 -7.078 -4.013
62 HB3 LYS 11 2HB LYS 11 2.522 -5.999 -5.024
63 HG2 LYS 11 1HG LYS 11 4.176 -5.732 -3.185
64 HG3 LYS 11 2HG LYS 11 3.175 -6.752 -2.132
65 HD2 LYS 11 1HD LYS 11 3.437 -8.632 -3.775
66 HD3 LYS 11 2HD LYS 11 4.524 -7.606 -4.735
67 HE2 LYS 11 1HE LYS 11 6.063 -7.412 -2.815
68 HE3 LYS 11 2HE LYS 11 4.952 -8.357 -1.808
69 HZ1 LYS 11 3HZ LYS 11 6.320 -9.384 -4.240
70 HZ2 LYS 11 1HZ LYS 11 5.295 -10.244 -3.298
71 HZ3 LYS 11 2HZ LYS 11 6.733 -9.751 -2.704
72 H CYS 12 H CYS 12 2.755 -3.670 -1.661
73 HA CYS 12 HA CYS 12 2.850 -1.100 -2.682
74 HB2 CYS 12 1HB CYS 12 3.291 -1.683 -0.400
75 HB3 CYS 12 2HB CYS 12 4.677 -2.680 -0.853
76 HA PRO 13 HA PRO 13 5.837 -1.331 -5.956
77 HB2 PRO 13 1HB PRO 13 6.256 1.356 -6.449
78 HB3 PRO 13 2HB PRO 13 4.824 0.416 -6.955
79 HG2 PRO 13 1HG PRO 13 5.102 2.286 -4.617
80 HG3 PRO 13 2HG PRO 13 3.694 2.020 -5.684
81 HD2 PRO 13 1HD PRO 13 3.933 0.941 -3.181
82 HD3 PRO 13 2HD PRO 13 2.961 0.222 -4.496
83 H TYR 14 H TYR 14 6.677 -0.427 -2.822
84 HA TYR 14 HA TYR 14 9.605 -0.286 -3.513
85 HB2 TYR 14 1HB TYR 14 8.067 1.095 -1.310
86 HB3 TYR 14 2HB TYR 14 9.817 1.051 -1.403
87 HD1 TYR 14 1HD TYR 14 6.748 2.309 -3.065
88 HD2 TYR 14 2HD TYR 14 11.044 2.541 -2.825
89 HE1 TYR 14 1HE TYR 14 6.737 4.321 -4.573
90 HE2 TYR 14 2HE TYR 14 11.020 4.591 -4.243
91 HH TYR 14 HH TYR 14 9.742 6.025 -5.490
92 H CYS 15 H CYS 15 7.185 -1.800 -1.406
93 HA CYS 15 HA CYS 15 9.293 -3.618 -0.380
94 HB2 CYS 15 1HB CYS 15 8.761 -3.347 1.889
95 HB3 CYS 15 2HB CYS 15 9.041 -1.742 1.239
96 H ASP 16 H ASP 16 7.986 -5.185 1.310
97 HA ASP 16 HA ASP 16 6.385 -6.809 -0.527
98 HB2 ASP 16 1HB ASP 16 6.756 -8.598 1.030
99 HB3 ASP 16 2HB ASP 16 8.272 -7.768 0.718
100 H PHE 17 H PHE 17 5.431 -4.395 1.551
101 HA PHE 17 HA PHE 17 3.333 -5.727 2.994
102 HB2 PHE 17 1HB PHE 17 4.622 -3.618 3.612
103 HB3 PHE 17 2HB PHE 17 3.579 -2.755 2.490
104 HD1 PHE 17 1HD PHE 17 3.783 -4.563 5.715
105 HD2 PHE 17 2HD PHE 17 1.199 -2.381 3.046
106 HE1 PHE 17 1HE PHE 17 2.110 -4.313 7.536
107 HE2 PHE 17 2HE PHE 17 -0.467 -2.120 4.863
108 HZ PHE 17 HZ PHE 17 -0.017 -3.087 7.115
109 H TYR 18 H TYR 18 1.116 -5.699 2.781
110 HA TYR 18 HA TYR 18 0.070 -5.217 0.051
111 HB2 TYR 18 1HB TYR 18 -0.820 -7.118 2.236
112 HB3 TYR 18 2HB TYR 18 -1.691 -6.868 0.726
113 HD1 TYR 18 2HD TYR 18 -0.621 -7.366 -1.469
114 HD2 TYR 18 1HD TYR 18 1.196 -8.489 2.274
115 HE1 TYR 18 2HE TYR 18 0.988 -8.772 -2.690
116 HE2 TYR 18 1HE TYR 18 2.784 -9.949 1.065
117 HH TYR 18 HH TYR 18 3.460 -10.765 -0.967
118 H PHE 19 H PHE 19 -1.868 -4.388 -0.404
119 HA PHE 19 HA PHE 19 -3.614 -3.227 1.703
120 HB2 PHE 19 1HB PHE 19 -2.557 -1.749 -0.736
121 HB3 PHE 19 2HB PHE 19 -3.964 -1.229 0.163
122 HD1 PHE 19 1HD PHE 19 -0.276 -1.585 0.310
123 HD2 PHE 19 2HD PHE 19 -3.814 -0.206 2.358
124 HE1 PHE 19 1HE PHE 19 1.133 -0.246 1.856
125 HE2 PHE 19 2HE PHE 19 -2.394 1.082 3.933
126 HZ PHE 19 HZ PHE 19 0.076 1.071 3.683
127 H MET 20 H MET 20 -5.769 -2.525 0.602
128 HA MET 20 HA MET 20 -6.545 -4.294 -1.651
129 HB2 MET 20 1HB MET 20 -6.905 -5.447 0.595
130 HB3 MET 20 2HB MET 20 -8.095 -4.193 0.964
131 HG2 MET 20 1HG MET 20 -9.386 -4.895 -1.058
132 HG3 MET 20 2HG MET 20 -8.162 -6.118 -1.400
133 HE1 MET 20 3HE MET 20 -11.244 -5.036 0.680
134 HE2 MET 20 1HE MET 20 -11.314 -6.227 1.995
135 HE3 MET 20 2HE MET 20 -10.039 -4.995 1.989
136 H LYS 21 H LYS 21 -8.328 -3.577 -2.834
137 HA LYS 21 HA LYS 21 -9.564 -2.010 -3.938
138 HB2 LYS 21 1HB LYS 21 -10.572 -1.698 -1.096
139 HB3 LYS 21 2HB LYS 21 -11.364 -0.950 -2.487
140 HG2 LYS 21 1HG LYS 21 -11.776 -3.091 -3.538
141 HG3 LYS 21 2HG LYS 21 -10.854 -3.939 -2.304
142 HD2 LYS 21 1HD LYS 21 -13.198 -4.235 -1.860
143 HD3 LYS 21 2HD LYS 21 -12.493 -3.247 -0.572
144 HE2 LYS 21 1HE LYS 21 -13.386 -1.198 -1.636
145 HE3 LYS 21 2HE LYS 21 -14.034 -2.159 -2.973
146 HZ1 LYS 21 3HZ LYS 21 -15.742 -1.679 -1.317
147 HZ2 LYS 21 1HZ LYS 21 -14.884 -2.402 -0.135
148 HZ3 LYS 21 2HZ LYS 21 -15.483 -3.288 -1.371
149 H ASN 22 H ASN 22 -6.966 -1.013 -3.301
150 HA ASN 22 HA ASN 22 -5.699 0.865 -3.274
151 HB2 ASN 22 1HB ASN 22 -6.759 0.760 -5.553
152 HB3 ASN 22 2HB ASN 22 -7.939 1.955 -5.011
153 HD21 ASN 22 1HD2 ASN 22 -7.065 3.216 -6.868
154 HD22 ASN 22 2HD2 ASN 22 -5.583 4.129 -6.616
155 H GLY 23 H GLY 23 -6.940 0.770 -0.871
156 HA2 GLY 23 1HA GLY 23 -8.336 3.093 -0.024
157 HA3 GLY 23 2HA GLY 23 -7.364 2.048 1.012
158 H SER 24 H SER 24 -7.672 4.979 1.091
159 HA SER 24 HA SER 24 -5.550 6.365 -0.161
160 HB2 SER 24 1HB SER 24 -6.133 8.202 1.409
161 HB3 SER 24 2HB SER 24 -7.531 7.498 0.577
162 HG SER 24 HG SER 24 -7.912 7.790 2.830
163 H ASP 25 H ASP 25 -5.369 4.443 2.743
164 HA ASP 25 HA ASP 25 -2.998 5.648 3.858
165 HB2 ASP 25 1HB ASP 25 -4.182 2.858 4.057
166 HB3 ASP 25 2HB ASP 25 -2.718 3.352 4.914
167 H LEU 26 H LEU 26 -3.410 3.558 1.036
168 HA LEU 26 HA LEU 26 -0.674 2.692 0.832
169 HB2 LEU 26 1HB LEU 26 -2.461 1.654 -0.471
170 HB3 LEU 26 2HB LEU 26 -2.810 3.186 -1.280
171 HG LEU 26 HG LEU 26 -0.604 3.163 -2.375
172 HD11 LEU 26 1HD1 LEU 26 0.784 1.093 -2.310
173 HD12 LEU 26 2HD1 LEU 26 -0.252 0.472 -1.012
174 HD13 LEU 26 3HD1 LEU 26 0.746 1.910 -0.750
175 HD21 LEU 26 3HD2 LEU 26 -1.007 1.237 -3.873
176 HD22 LEU 26 1HD2 LEU 26 -2.470 2.182 -3.547
177 HD23 LEU 26 2HD2 LEU 26 -2.231 0.627 -2.729
178 H GLN 27 H GLN 27 -2.356 5.676 -0.255
179 HA GLN 27 HA GLN 27 -0.174 6.778 -1.732
180 HB2 GLN 27 1HB GLN 27 -2.524 7.487 -1.910
181 HB3 GLN 27 2HB GLN 27 -2.469 8.153 -0.270
182 HG2 GLN 27 1HG GLN 27 -0.783 9.789 -0.938
183 HG3 GLN 27 2HG GLN 27 -0.703 9.092 -2.561
184 HE21 GLN 27 1HE2 GLN 27 -1.280 11.846 -2.124
185 HE22 GLN 27 2HE2 GLN 27 -2.941 12.112 -2.646
186 H ARG 28 H ARG 28 -1.104 7.083 1.715
187 HA ARG 28 HA ARG 28 1.113 8.794 2.470
188 HB2 ARG 28 1HB ARG 28 -0.495 6.902 4.246
189 HB3 ARG 28 2HB ARG 28 0.529 8.249 4.760
190 HG2 ARG 28 1HG ARG 28 -1.014 9.726 3.271
191 HG3 ARG 28 2HG ARG 28 -2.135 8.360 3.305
192 HD2 ARG 28 1HD ARG 28 -1.012 9.835 5.724
193 HD3 ARG 28 2HD ARG 28 -2.616 10.095 5.026
194 HE ARG 28 HE ARG 28 -2.726 7.430 5.584
195 HH11 ARG 28 2HH1 ARG 28 -1.832 10.134 7.637
196 HH12 ARG 28 1HH1 ARG 28 -2.404 9.331 9.074
197 HH21 ARG 28 2HH2 ARG 28 -3.458 6.503 7.399
198 HH22 ARG 28 1HH2 ARG 28 -3.296 7.312 8.951
199 H HIS 29 H HIS 29 0.689 5.266 2.547
200 HA HIS 29 HA HIS 29 3.207 4.608 3.706
201 HB2 HIS 29 1HB HIS 29 1.300 3.090 3.560
202 HB3 HIS 29 2HB HIS 29 1.405 3.064 1.800
203 HD1 HIS 29 1HD HIS 29 3.020 1.503 4.869
204 HD2 HIS 29 2HD HIS 29 3.408 1.641 0.687
205 HE1 HIS 29 1HE HIS 29 4.594 -0.393 4.261
206 H ILE 30 H ILE 30 2.341 5.099 0.246
207 HA ILE 30 HA ILE 30 5.018 4.486 -0.706
208 HB ILE 30 HB ILE 30 2.618 5.873 -1.956
209 HG12 ILE 30 1HG1 ILE 30 3.951 3.196 -2.598
210 HG13 ILE 30 2HG1 ILE 30 2.586 3.353 -1.500
211 HG21 ILE 30 1HG2 ILE 30 5.341 5.261 -3.152
212 HG22 ILE 30 2HG2 ILE 30 3.923 5.701 -4.129
213 HG23 ILE 30 3HG2 ILE 30 4.583 6.862 -2.987
214 HD11 ILE 30 3HD1 ILE 30 2.582 4.028 -4.462
215 HD12 ILE 30 1HD1 ILE 30 1.709 2.734 -3.648
216 HD13 ILE 30 2HD1 ILE 30 1.266 4.436 -3.332
217 H TRP 31 H TRP 31 3.292 7.590 -0.197
218 HA TRP 31 HA TRP 31 5.420 9.376 -0.687
219 HB2 TRP 31 1HB TRP 31 3.084 9.380 1.224
220 HB3 TRP 31 2HB TRP 31 4.243 10.681 1.273
221 HD1 TRP 31 1HD TRP 31 4.242 10.149 -2.229
222 HE1 TRP 31 1HE TRP 31 2.660 11.694 -3.451
223 HE3 TRP 31 3HE TRP 31 1.284 11.541 1.723
224 HZ2 TRP 31 2HZ TRP 31 0.426 13.434 -2.811
225 HZ3 TRP 31 3HZ TRP 31 -0.564 13.169 1.380
226 HH2 TRP 31 2HH TRP 31 -0.986 14.138 -0.868
227 H ALA 32 H ALA 32 4.978 7.289 2.134
228 HA ALA 32 HA ALA 32 7.088 8.493 3.701
229 HB1 ALA 32 1HB ALA 32 5.827 5.719 3.855
230 HB2 ALA 32 2HB ALA 32 6.815 6.485 5.116
231 HB3 ALA 32 3HB ALA 32 5.236 7.177 4.684
232 H HIS 33 H HIS 33 7.053 5.730 1.385
233 HA HIS 33 HA HIS 33 9.864 5.070 1.705
234 HB2 HIS 33 1HB HIS 33 7.912 4.588 -0.583
235 HB3 HIS 33 2HB HIS 33 9.557 3.981 -0.527
236 HD1 HIS 33 1HD HIS 33 10.019 2.414 1.887
237 HD2 HIS 33 2HD HIS 33 6.224 2.766 0.120
238 HE1 HIS 33 1HE HIS 33 8.725 0.358 2.619
239 H GLU 34 H GLU 34 8.086 7.359 -0.381
240 HA GLU 34 HA GLU 34 10.459 8.354 -1.737
241 HB2 GLU 34 1HB GLU 34 7.667 9.517 -1.411
242 HB3 GLU 34 2HB GLU 34 8.938 10.226 -2.410
243 HG2 GLU 34 1HG GLU 34 9.087 8.071 -3.688
244 HG3 GLU 34 2HG GLU 34 7.668 7.493 -2.810
245 H GLY 35 H GLY 35 9.694 8.646 1.505
246 HA2 GLY 35 1HA GLY 35 10.793 9.794 3.157
247 HA3 GLY 35 2HA GLY 35 11.744 10.641 1.936
248 H VAL 36 H VAL 36 8.274 10.905 1.671
249 HA VAL 36 HA VAL 36 8.349 13.791 2.068
250 HB VAL 36 HB VAL 36 5.966 11.959 1.648
251 HG11 VAL 36 1HG1 VAL 36 6.265 14.963 1.243
252 HG12 VAL 36 2HG1 VAL 36 4.855 13.991 0.768
253 HG13 VAL 36 3HG1 VAL 36 5.264 14.156 2.475
254 HG21 VAL 36 3HG2 VAL 36 7.526 11.730 -0.237
255 HG22 VAL 36 1HG2 VAL 36 6.097 12.633 -0.731
256 HG23 VAL 36 2HG2 VAL 36 7.618 13.497 -0.398
257 H LYS 37 H LYS 37 7.695 14.959 3.775
258 HA LYS 37 HA LYS 37 6.323 13.745 6.116
259 HB2 LYS 37 1HB LYS 37 8.896 15.378 6.230
260 HB3 LYS 37 2HB LYS 37 7.908 14.973 7.626
261 HG2 LYS 37 1HG LYS 37 9.334 12.935 5.859
262 HG3 LYS 37 2HG LYS 37 9.925 13.565 7.393
263 HD2 LYS 37 1HD LYS 37 7.969 12.600 8.580
264 HD3 LYS 37 2HD LYS 37 7.327 12.002 7.049
265 HE2 LYS 37 1HE LYS 37 8.366 10.154 8.107
266 HE3 LYS 37 2HE LYS 37 9.373 10.612 6.731
267 HZ1 LYS 37 3HZ LYS 37 9.916 11.342 9.566
268 HZ2 LYS 37 1HZ LYS 37 10.874 11.733 8.300
269 HZ3 LYS 37 2HZ LYS 37 10.692 10.174 8.736
Start of MODEL 8
1 H1 GLY 1 1H GLY 1 -6.880 -13.138 3.810
2 H2 GLY 1 2H GLY 1 -5.264 -13.411 3.842
3 H3 GLY 1 3H GLY 1 -6.162 -13.932 2.572
4 HA2 GLY 1 1HA GLY 1 -5.694 -11.111 3.291
5 HA3 GLY 1 2HA GLY 1 -4.901 -11.971 1.958
6 H SER 2 H SER 2 -6.363 -9.606 1.577
7 HA SER 2 HA SER 2 -9.072 -10.002 0.799
8 HB2 SER 2 1HB SER 2 -7.123 -7.892 -0.185
9 HB3 SER 2 2HB SER 2 -8.899 -7.820 -0.245
10 HG SER 2 HG SER 2 -8.076 -6.691 1.575
11 H SER 3 H SER 3 -10.073 -10.169 -1.202
12 HA SER 3 HA SER 3 -8.434 -11.265 -3.459
13 HB2 SER 3 1HB SER 3 -9.212 -13.086 -2.009
14 HB3 SER 3 2HB SER 3 -10.889 -12.550 -2.215
15 HG SER 3 HG SER 3 -10.299 -14.250 -3.657
16 H GLY 4 H GLY 4 -11.891 -10.475 -2.678
17 HA2 GLY 4 1HA GLY 4 -13.490 -9.326 -3.871
18 HA3 GLY 4 2HA GLY 4 -12.168 -8.348 -4.488
19 H SER 5 H SER 5 -13.118 -8.080 -6.517
20 HA SER 5 HA SER 5 -13.980 -10.307 -8.176
21 HB2 SER 5 1HB SER 5 -14.323 -8.522 -9.871
22 HB3 SER 5 2HB SER 5 -15.124 -8.199 -8.324
23 HG SER 5 HG SER 5 -14.001 -6.354 -9.138
24 H SER 6 H SER 6 -10.922 -8.629 -7.778
25 HA SER 6 HA SER 6 -9.767 -9.580 -10.305
26 HB2 SER 6 1HB SER 6 -7.718 -8.491 -9.416
27 HB3 SER 6 2HB SER 6 -9.122 -7.403 -9.438
28 HG SER 6 HG SER 6 -7.843 -7.462 -7.419
29 H GLY 7 H GLY 7 -10.210 -10.927 -7.190
30 HA2 GLY 7 1HA GLY 7 -9.657 -13.002 -6.374
31 HA3 GLY 7 2HA GLY 7 -8.689 -13.332 -7.809
32 H ARG 8 H ARG 8 -7.740 -10.364 -6.368
33 HA ARG 8 HA ARG 8 -5.641 -11.452 -4.632
34 HB2 ARG 8 1HB ARG 8 -3.763 -10.912 -6.068
35 HB3 ARG 8 2HB ARG 8 -4.820 -12.065 -6.869
36 HG2 ARG 8 1HG ARG 8 -5.859 -9.984 -8.079
37 HG3 ARG 8 2HG ARG 8 -4.437 -9.112 -7.482
38 HD2 ARG 8 1HD ARG 8 -2.999 -10.888 -8.540
39 HD3 ARG 8 2HD ARG 8 -4.451 -11.609 -9.234
40 HE ARG 8 HE ARG 8 -3.051 -9.187 -10.095
41 HH11 ARG 8 2HH1 ARG 8 -6.230 -10.735 -10.329
42 HH12 ARG 8 1HH1 ARG 8 -6.512 -10.020 -11.888
43 HH21 ARG 8 2HH2 ARG 8 -3.577 -8.264 -12.021
44 HH22 ARG 8 1HH2 ARG 8 -5.101 -8.616 -12.777
45 H ALA 9 H ALA 9 -4.423 -9.941 -3.538
46 HA ALA 9 HA ALA 9 -5.350 -7.141 -3.498
47 HB1 ALA 9 1HB ALA 9 -4.876 -8.307 -1.382
48 HB2 ALA 9 2HB ALA 9 -3.194 -8.589 -1.905
49 HB3 ALA 9 3HB ALA 9 -3.770 -6.938 -1.625
50 H MET 10 H MET 10 -3.558 -5.444 -3.357
51 HA MET 10 HA MET 10 -1.679 -5.704 -5.648
52 HB2 MET 10 1HB MET 10 -1.857 -3.474 -5.960
53 HB3 MET 10 2HB MET 10 -3.414 -3.760 -5.190
54 HG2 MET 10 1HG MET 10 -2.703 -1.873 -4.116
55 HG3 MET 10 2HG MET 10 -2.223 -3.118 -2.976
56 HE1 MET 10 3HE MET 10 -0.632 -1.902 -1.633
57 HE2 MET 10 1HE MET 10 0.291 -3.356 -2.064
58 HE3 MET 10 2HE MET 10 1.067 -1.761 -2.066
59 H LYS 11 H LYS 11 0.566 -5.113 -5.363
60 HA LYS 11 HA LYS 11 1.589 -5.367 -2.560
61 HB2 LYS 11 1HB LYS 11 2.028 -7.336 -4.097
62 HB3 LYS 11 2HB LYS 11 3.084 -6.274 -5.043
63 HG2 LYS 11 1HG LYS 11 4.473 -5.849 -3.029
64 HG3 LYS 11 2HG LYS 11 3.341 -6.795 -2.045
65 HD2 LYS 11 1HD LYS 11 3.882 -8.792 -3.511
66 HD3 LYS 11 2HD LYS 11 5.172 -7.829 -4.257
67 HE2 LYS 11 1HE LYS 11 6.318 -7.554 -2.168
68 HE3 LYS 11 2HE LYS 11 4.908 -8.087 -1.243
69 HZ1 LYS 11 3HZ LYS 11 6.532 -9.870 -2.959
70 HZ2 LYS 11 1HZ LYS 11 5.212 -10.308 -2.072
71 HZ3 LYS 11 2HZ LYS 11 6.569 -9.788 -1.313
72 H CYS 12 H CYS 12 3.039 -3.957 -1.823
73 HA CYS 12 HA CYS 12 3.047 -1.356 -2.772
74 HB2 CYS 12 1HB CYS 12 3.406 -2.039 -0.481
75 HB3 CYS 12 2HB CYS 12 4.918 -2.842 -0.909
76 HA PRO 13 HA PRO 13 6.176 -1.346 -5.926
77 HB2 PRO 13 1HB PRO 13 6.500 1.395 -6.239
78 HB3 PRO 13 2HB PRO 13 5.184 0.405 -6.930
79 HG2 PRO 13 1HG PRO 13 5.123 2.144 -4.475
80 HG3 PRO 13 2HG PRO 13 3.841 1.864 -5.687
81 HD2 PRO 13 1HD PRO 13 3.870 0.650 -3.250
82 HD3 PRO 13 2HD PRO 13 3.146 -0.078 -4.708
83 H TYR 14 H TYR 14 6.781 -0.488 -2.707
84 HA TYR 14 HA TYR 14 9.737 -0.250 -3.216
85 HB2 TYR 14 1HB TYR 14 8.041 1.155 -1.154
86 HB3 TYR 14 2HB TYR 14 9.794 1.191 -1.181
87 HD1 TYR 14 1HD TYR 14 6.721 2.296 -2.907
88 HD2 TYR 14 2HD TYR 14 11.016 2.591 -2.743
89 HE1 TYR 14 1HE TYR 14 6.662 4.212 -4.534
90 HE2 TYR 14 2HE TYR 14 10.949 4.541 -4.293
91 HH TYR 14 HH TYR 14 9.638 5.879 -5.610
92 H CYS 15 H CYS 15 7.244 -1.788 -1.206
93 HA CYS 15 HA CYS 15 9.390 -3.421 0.047
94 HB2 CYS 15 1HB CYS 15 8.675 -3.125 2.240
95 HB3 CYS 15 2HB CYS 15 8.805 -1.520 1.554
96 H ASP 16 H ASP 16 8.060 -5.025 1.678
97 HA ASP 16 HA ASP 16 6.948 -6.913 -0.247
98 HB2 ASP 16 1HB ASP 16 8.741 -7.430 1.435
99 HB3 ASP 16 2HB ASP 16 7.529 -7.276 2.708
100 H PHE 17 H PHE 17 5.430 -4.558 1.599
101 HA PHE 17 HA PHE 17 3.308 -6.181 2.720
102 HB2 PHE 17 1HB PHE 17 4.429 -3.991 3.600
103 HB3 PHE 17 2HB PHE 17 3.237 -3.175 2.601
104 HD1 PHE 17 2HD PHE 17 3.796 -5.413 5.512
105 HD2 PHE 17 1HD PHE 17 0.851 -3.209 3.265
106 HE1 PHE 17 2HE PHE 17 2.156 -5.719 7.352
107 HE2 PHE 17 1HE PHE 17 -0.783 -3.511 5.102
108 HZ PHE 17 HZ PHE 17 -0.137 -4.768 7.153
109 H TYR 18 H TYR 18 1.067 -6.008 2.393
110 HA TYR 18 HA TYR 18 0.235 -5.378 -0.399
111 HB2 TYR 18 1HB TYR 18 -0.786 -7.488 1.530
112 HB3 TYR 18 2HB TYR 18 -1.479 -7.146 -0.047
113 HD1 TYR 18 1HD TYR 18 1.526 -8.476 1.698
114 HD2 TYR 18 2HD TYR 18 -0.460 -7.914 -2.088
115 HE1 TYR 18 1HE TYR 18 3.146 -10.003 0.624
116 HE2 TYR 18 2HE TYR 18 1.151 -9.439 -3.167
117 HH TYR 18 HH TYR 18 2.877 -10.949 -2.835
118 H PHE 19 H PHE 19 -1.742 -4.516 -0.854
119 HA PHE 19 HA PHE 19 -3.614 -3.705 1.298
120 HB2 PHE 19 1HB PHE 19 -2.489 -1.750 -0.746
121 HB3 PHE 19 2HB PHE 19 -3.870 -1.447 0.243
122 HD1 PHE 19 1HD PHE 19 -0.165 -2.118 0.522
123 HD2 PHE 19 2HD PHE 19 -3.686 -0.425 2.348
124 HE1 PHE 19 1HE PHE 19 1.250 -0.966 2.190
125 HE2 PHE 19 2HE PHE 19 -2.262 0.703 4.029
126 HZ PHE 19 HZ PHE 19 0.206 0.440 3.954
127 H MET 20 H MET 20 -5.769 -3.144 0.406
128 HA MET 20 HA MET 20 -6.181 -3.457 -2.458
129 HB2 MET 20 1HB MET 20 -6.328 -5.840 -1.615
130 HB3 MET 20 2HB MET 20 -7.739 -5.351 -0.656
131 HG2 MET 20 1HG MET 20 -8.875 -4.611 -2.729
132 HG3 MET 20 2HG MET 20 -7.450 -5.048 -3.673
133 HE1 MET 20 3HE MET 20 -10.412 -5.840 -4.336
134 HE2 MET 20 1HE MET 20 -8.976 -6.209 -5.316
135 HE3 MET 20 2HE MET 20 -10.128 -7.497 -4.925
136 H LYS 21 H LYS 21 -7.642 -2.065 -3.105
137 HA LYS 21 HA LYS 21 -8.936 -0.238 -3.061
138 HB2 LYS 21 1HB LYS 21 -11.258 -0.596 -2.560
139 HB3 LYS 21 2HB LYS 21 -10.550 -1.958 -3.412
140 HG2 LYS 21 1HG LYS 21 -10.525 -3.319 -1.408
141 HG3 LYS 21 2HG LYS 21 -11.007 -1.935 -0.400
142 HD2 LYS 21 1HD LYS 21 -13.167 -1.815 -1.614
143 HD3 LYS 21 2HD LYS 21 -12.680 -3.203 -2.615
144 HE2 LYS 21 1HE LYS 21 -12.486 -4.607 -0.576
145 HE3 LYS 21 2HE LYS 21 -12.937 -3.224 0.429
146 HZ1 LYS 21 3HZ LYS 21 -15.099 -3.191 -0.696
147 HZ2 LYS 21 1HZ LYS 21 -14.849 -4.651 -0.017
148 HZ3 LYS 21 2HZ LYS 21 -14.685 -4.467 -1.631
149 H ASN 22 H ASN 22 -7.069 -0.189 -0.869
150 HA ASN 22 HA ASN 22 -8.433 1.198 1.332
151 HB2 ASN 22 1HB ASN 22 -5.490 0.570 0.826
152 HB3 ASN 22 2HB ASN 22 -6.136 1.296 2.294
153 HD21 ASN 22 1HD2 ASN 22 -8.006 -0.031 3.379
154 HD22 ASN 22 2HD2 ASN 22 -7.686 -1.756 3.434
155 H GLY 23 H GLY 23 -7.168 2.262 -1.661
156 HA2 GLY 23 1HA GLY 23 -6.944 4.363 -2.577
157 HA3 GLY 23 2HA GLY 23 -8.039 4.890 -1.303
158 H SER 24 H SER 24 -7.271 6.602 -0.254
159 HA SER 24 HA SER 24 -4.735 7.718 -0.430
160 HB2 SER 24 1HB SER 24 -6.684 8.038 1.879
161 HB3 SER 24 2HB SER 24 -5.426 9.184 1.375
162 HG SER 24 HG SER 24 -7.498 9.759 0.557
163 H ASP 25 H ASP 25 -5.735 5.181 1.838
164 HA ASP 25 HA ASP 25 -3.592 5.592 3.723
165 HB2 ASP 25 1HB ASP 25 -5.749 4.418 4.179
166 HB3 ASP 25 2HB ASP 25 -5.182 3.079 3.177
167 H LEU 26 H LEU 26 -3.824 3.773 0.679
168 HA LEU 26 HA LEU 26 -1.154 2.562 0.952
169 HB2 LEU 26 1HB LEU 26 -2.778 1.386 -0.392
170 HB3 LEU 26 2HB LEU 26 -3.107 2.822 -1.362
171 HG LEU 26 HG LEU 26 -0.839 2.752 -2.324
172 HD11 LEU 26 1HD1 LEU 26 0.595 0.750 -1.989
173 HD12 LEU 26 2HD1 LEU 26 -0.506 0.199 -0.712
174 HD13 LEU 26 3HD1 LEU 26 0.435 1.682 -0.501
175 HD21 LEU 26 3HD2 LEU 26 -2.262 0.075 -2.528
176 HD22 LEU 26 1HD2 LEU 26 -1.105 0.766 -3.689
177 HD23 LEU 26 2HD2 LEU 26 -2.675 1.548 -3.436
178 H GLN 27 H GLN 27 -2.616 5.450 -0.600
179 HA GLN 27 HA GLN 27 -0.284 6.318 -1.975
180 HB2 GLN 27 1HB GLN 27 -2.526 8.000 -0.795
181 HB3 GLN 27 2HB GLN 27 -1.301 8.569 -1.932
182 HG2 GLN 27 1HG GLN 27 -2.052 6.968 -3.632
183 HG3 GLN 27 2HG GLN 27 -3.273 6.325 -2.538
184 HE21 GLN 27 1HE2 GLN 27 -4.330 7.080 -4.839
185 HE22 GLN 27 2HE2 GLN 27 -5.119 8.646 -4.699
186 H ARG 28 H ARG 28 -1.335 7.156 1.390
187 HA ARG 28 HA ARG 28 1.096 8.627 1.925
188 HB2 ARG 28 1HB ARG 28 0.420 8.784 4.180
189 HB3 ARG 28 2HB ARG 28 -0.992 9.014 3.151
190 HG2 ARG 28 1HG ARG 28 -1.684 6.664 3.623
191 HG3 ARG 28 2HG ARG 28 -0.290 6.474 4.703
192 HD2 ARG 28 1HD ARG 28 -1.113 8.336 6.098
193 HD3 ARG 28 2HD ARG 28 -2.516 8.530 5.029
194 HE ARG 28 HE ARG 28 -2.628 5.855 5.817
195 HH11 ARG 28 2HH1 ARG 28 -2.671 8.872 7.633
196 HH12 ARG 28 1HH1 ARG 28 -3.605 8.152 8.918
197 HH21 ARG 28 2HH2 ARG 28 -3.777 5.073 7.347
198 HH22 ARG 28 1HH2 ARG 28 -4.230 5.998 8.782
199 H HIS 29 H HIS 29 0.392 5.172 2.298
200 HA HIS 29 HA HIS 29 2.824 4.505 3.684
201 HB2 HIS 29 1HB HIS 29 0.956 2.956 3.538
202 HB3 HIS 29 2HB HIS 29 1.066 2.906 1.782
203 HD1 HIS 29 1HD HIS 29 2.801 1.483 4.873
204 HD2 HIS 29 2HD HIS 29 3.021 1.435 0.675
205 HE1 HIS 29 1HE HIS 29 4.397 -0.401 4.288
206 H ILE 30 H ILE 30 2.100 4.923 0.198
207 HA ILE 30 HA ILE 30 4.788 4.229 -0.662
208 HB ILE 30 HB ILE 30 2.412 5.570 -1.996
209 HG12 ILE 30 1HG1 ILE 30 3.788 2.882 -2.485
210 HG13 ILE 30 2HG1 ILE 30 2.373 3.090 -1.455
211 HG21 ILE 30 1HG2 ILE 30 3.732 5.373 -4.148
212 HG22 ILE 30 2HG2 ILE 30 4.361 6.573 -3.032
213 HG23 ILE 30 3HG2 ILE 30 5.156 4.989 -3.153
214 HD11 ILE 30 3HD1 ILE 30 1.142 4.078 -3.400
215 HD12 ILE 30 1HD1 ILE 30 2.505 3.585 -4.441
216 HD13 ILE 30 2HD1 ILE 30 1.577 2.354 -3.580
217 H TRP 31 H TRP 31 3.112 7.389 -0.370
218 HA TRP 31 HA TRP 31 5.289 9.067 -0.914
219 HB2 TRP 31 1HB TRP 31 2.984 9.379 1.021
220 HB3 TRP 31 2HB TRP 31 4.103 10.680 0.658
221 HD1 TRP 31 1HD TRP 31 4.309 10.052 -2.513
222 HE1 TRP 31 1HE TRP 31 2.412 10.717 -4.044
223 HE3 TRP 31 3HE TRP 31 0.607 10.614 0.998
224 HZ2 TRP 31 2HZ TRP 31 -0.394 11.437 -3.812
225 HZ3 TRP 31 3HZ TRP 31 -1.674 11.302 0.302
226 HH2 TRP 31 2HH TRP 31 -2.188 11.712 -2.093
227 H ALA 32 H ALA 32 4.712 7.232 2.048
228 HA ALA 32 HA ALA 32 6.762 8.490 3.644
229 HB1 ALA 32 1HB ALA 32 4.895 7.212 4.612
230 HB2 ALA 32 2HB ALA 32 5.483 5.728 3.827
231 HB3 ALA 32 3HB ALA 32 6.450 6.509 5.096
232 H HIS 33 H HIS 33 6.837 5.672 1.394
233 HA HIS 33 HA HIS 33 9.626 5.016 1.897
234 HB2 HIS 33 1HB HIS 33 7.819 4.429 -0.478
235 HB3 HIS 33 2HB HIS 33 9.448 3.812 -0.269
236 HD1 HIS 33 1HD HIS 33 9.690 2.395 2.291
237 HD2 HIS 33 2HD HIS 33 6.087 2.643 0.155
238 HE1 HIS 33 1HE HIS 33 8.326 0.381 3.009
239 H GLU 34 H GLU 34 7.942 7.221 -0.346
240 HA GLU 34 HA GLU 34 10.378 8.182 -1.620
241 HB2 GLU 34 1HB GLU 34 7.580 9.367 -1.481
242 HB3 GLU 34 2HB GLU 34 8.907 10.009 -2.452
243 HG2 GLU 34 1HG GLU 34 9.081 7.779 -3.605
244 HG3 GLU 34 2HG GLU 34 7.605 7.279 -2.773
245 H GLY 35 H GLY 35 9.507 8.526 1.565
246 HA2 GLY 35 1HA GLY 35 10.572 9.692 3.223
247 HA3 GLY 35 2HA GLY 35 11.510 10.569 2.012
248 H VAL 36 H VAL 36 8.061 10.787 1.630
249 HA VAL 36 HA VAL 36 8.087 13.657 2.180
250 HB VAL 36 HB VAL 36 5.745 11.855 1.492
251 HG11 VAL 36 1HG1 VAL 36 6.074 14.877 1.297
252 HG12 VAL 36 2HG1 VAL 36 4.694 13.946 0.676
253 HG13 VAL 36 3HG1 VAL 36 4.994 14.002 2.410
254 HG21 VAL 36 3HG2 VAL 36 6.033 12.689 -0.828
255 HG22 VAL 36 1HG2 VAL 36 7.529 13.516 -0.338
256 HG23 VAL 36 2HG2 VAL 36 7.424 11.741 -0.305
257 H LYS 37 H LYS 37 7.337 14.711 3.912
258 HA LYS 37 HA LYS 37 5.718 13.454 6.012
259 HB2 LYS 37 1HB LYS 37 7.245 13.944 7.811
260 HB3 LYS 37 2HB LYS 37 7.916 12.767 6.685
261 HG2 LYS 37 1HG LYS 37 9.275 14.615 5.626
262 HG3 LYS 37 2HG LYS 37 8.691 15.718 6.884
263 HD2 LYS 37 1HD LYS 37 10.172 13.111 7.400
264 HD3 LYS 37 2HD LYS 37 10.953 14.701 7.308
265 HE2 LYS 37 1HE LYS 37 9.545 15.493 9.207
266 HE3 LYS 37 2HE LYS 37 8.810 13.889 9.326
267 HZ1 LYS 37 3HZ LYS 37 11.698 14.468 9.719
268 HZ2 LYS 37 1HZ LYS 37 11.019 12.985 9.824
269 HZ3 LYS 37 2HZ LYS 37 10.630 14.141 10.907
Start of MODEL 9
1 H1 GLY 1 1H GLY 1 0.606 -25.647 -1.347
2 H2 GLY 1 2H GLY 1 1.351 -24.805 -2.534
3 H3 GLY 1 3H GLY 1 0.571 -26.202 -2.888
4 HA2 GLY 1 1HA GLY 1 -0.747 -24.329 -3.609
5 HA3 GLY 1 2HA GLY 1 -1.557 -25.242 -2.324
6 H SER 2 H SER 2 -2.506 -22.819 -2.614
7 HA SER 2 HA SER 2 -1.166 -20.675 -1.281
8 HB2 SER 2 1HB SER 2 -4.141 -21.075 -1.764
9 HB3 SER 2 2HB SER 2 -3.335 -19.546 -1.365
10 HG SER 2 HG SER 2 -3.677 -19.785 -3.628
11 H SER 3 H SER 3 -1.623 -19.638 0.693
12 HA SER 3 HA SER 3 -3.113 -21.067 2.815
13 HB2 SER 3 1HB SER 3 -1.224 -20.941 4.366
14 HB3 SER 3 2HB SER 3 -0.837 -21.954 2.968
15 HG SER 3 HG SER 3 0.871 -20.506 3.487
16 H GLY 4 H GLY 4 -3.255 -19.737 4.838
17 HA2 GLY 4 1HA GLY 4 -3.706 -17.753 5.967
18 HA3 GLY 4 2HA GLY 4 -2.869 -16.856 4.706
19 H SER 5 H SER 5 -4.440 -15.234 4.630
20 HA SER 5 HA SER 5 -7.234 -15.574 4.513
21 HB2 SER 5 1HB SER 5 -5.575 -13.273 3.419
22 HB3 SER 5 2HB SER 5 -7.305 -13.230 3.808
23 HG SER 5 HG SER 5 -6.004 -12.397 5.518
24 H SER 6 H SER 6 -8.767 -15.462 2.906
25 HA SER 6 HA SER 6 -8.049 -16.507 0.267
26 HB2 SER 6 1HB SER 6 -10.047 -17.217 1.644
27 HB3 SER 6 2HB SER 6 -10.786 -15.651 1.253
28 HG SER 6 HG SER 6 -11.369 -17.363 -0.212
29 H GLY 7 H GLY 7 -9.189 -15.543 -1.684
30 HA2 GLY 7 1HA GLY 7 -9.515 -13.816 -3.208
31 HA3 GLY 7 2HA GLY 7 -9.516 -12.662 -1.879
32 H ARG 8 H ARG 8 -8.361 -11.274 -3.324
33 HA ARG 8 HA ARG 8 -5.404 -11.705 -3.419
34 HB2 ARG 8 1HB ARG 8 -7.152 -10.700 -5.707
35 HB3 ARG 8 2HB ARG 8 -5.388 -10.634 -5.681
36 HG2 ARG 8 1HG ARG 8 -5.310 -13.124 -5.445
37 HG3 ARG 8 2HG ARG 8 -7.067 -13.182 -5.637
38 HD2 ARG 8 1HD ARG 8 -5.112 -12.033 -7.673
39 HD3 ARG 8 2HD ARG 8 -5.805 -13.664 -7.732
40 HE ARG 8 HE ARG 8 -7.995 -11.920 -7.572
41 HH11 ARG 8 1HH1 ARG 8 -5.446 -12.514 -9.900
42 HH12 ARG 8 2HH1 ARG 8 -6.424 -11.987 -11.244
43 HH21 ARG 8 2HH2 ARG 8 -9.186 -11.252 -9.327
44 HH22 ARG 8 1HH2 ARG 8 -8.487 -11.297 -10.919
45 H ALA 9 H ALA 9 -4.177 -9.756 -3.746
46 HA ALA 9 HA ALA 9 -5.419 -7.197 -2.903
47 HB1 ALA 9 1HB ALA 9 -3.648 -6.917 -1.181
48 HB2 ALA 9 2HB ALA 9 -4.722 -8.282 -0.802
49 HB3 ALA 9 3HB ALA 9 -3.094 -8.571 -1.478
50 H MET 10 H MET 10 -3.870 -5.397 -3.014
51 HA MET 10 HA MET 10 -2.056 -5.547 -5.345
52 HB2 MET 10 1HB MET 10 -2.267 -3.281 -5.491
53 HB3 MET 10 2HB MET 10 -3.788 -3.658 -4.687
54 HG2 MET 10 1HG MET 10 -3.078 -1.851 -3.482
55 HG3 MET 10 2HG MET 10 -2.511 -3.174 -2.478
56 HE1 MET 10 3HE MET 10 0.776 -1.691 -1.625
57 HE2 MET 10 1HE MET 10 -0.911 -1.846 -1.125
58 HE3 MET 10 2HE MET 10 0.008 -3.288 -1.610
59 H LYS 11 H LYS 11 0.212 -5.039 -5.145
60 HA LYS 11 HA LYS 11 1.344 -5.196 -2.375
61 HB2 LYS 11 1HB LYS 11 1.843 -7.154 -3.983
62 HB3 LYS 11 2HB LYS 11 2.874 -6.015 -4.849
63 HG2 LYS 11 1HG LYS 11 4.122 -5.589 -2.669
64 HG3 LYS 11 2HG LYS 11 3.080 -6.775 -1.889
65 HD2 LYS 11 1HD LYS 11 5.065 -7.971 -2.399
66 HD3 LYS 11 2HD LYS 11 3.901 -8.469 -3.619
67 HE2 LYS 11 1HE LYS 11 5.884 -8.102 -4.816
68 HE3 LYS 11 2HE LYS 11 4.887 -6.686 -5.154
69 HZ1 LYS 11 3HZ LYS 11 6.216 -5.506 -3.383
70 HZ2 LYS 11 1HZ LYS 11 7.154 -6.022 -4.623
71 HZ3 LYS 11 2HZ LYS 11 7.143 -6.844 -3.211
72 H CYS 12 H CYS 12 2.779 -3.738 -1.754
73 HA CYS 12 HA CYS 12 2.709 -1.144 -2.683
74 HB2 CYS 12 1HB CYS 12 3.277 -1.877 -0.454
75 HB3 CYS 12 2HB CYS 12 4.729 -2.696 -1.038
76 HA PRO 13 HA PRO 13 5.566 -1.090 -6.101
77 HB2 PRO 13 1HB PRO 13 5.867 1.649 -6.414
78 HB3 PRO 13 2HB PRO 13 4.478 0.677 -6.972
79 HG2 PRO 13 1HG PRO 13 4.692 2.386 -4.506
80 HG3 PRO 13 2HG PRO 13 3.288 2.137 -5.583
81 HD2 PRO 13 1HD PRO 13 3.563 0.880 -3.173
82 HD3 PRO 13 2HD PRO 13 2.667 0.195 -4.557
83 H TYR 14 H TYR 14 6.452 -0.256 -2.935
84 HA TYR 14 HA TYR 14 9.354 -0.028 -3.692
85 HB2 TYR 14 1HB TYR 14 7.840 1.320 -1.454
86 HB3 TYR 14 2HB TYR 14 9.590 1.334 -1.606
87 HD1 TYR 14 1HD TYR 14 6.422 2.513 -3.094
88 HD2 TYR 14 2HD TYR 14 10.717 2.784 -3.185
89 HE1 TYR 14 1HE TYR 14 6.268 4.469 -4.659
90 HE2 TYR 14 2HE TYR 14 10.564 4.778 -4.680
91 HH TYR 14 HH TYR 14 7.424 6.024 -5.875
92 H CYS 15 H CYS 15 7.027 -1.630 -1.568
93 HA CYS 15 HA CYS 15 9.212 -3.421 -0.670
94 HB2 CYS 15 1HB CYS 15 8.709 -3.330 1.609
95 HB3 CYS 15 2HB CYS 15 8.902 -1.677 1.067
96 H ASP 16 H ASP 16 7.736 -5.027 1.026
97 HA ASP 16 HA ASP 16 6.056 -6.501 -0.951
98 HB2 ASP 16 1HB ASP 16 7.793 -7.576 1.282
99 HB3 ASP 16 2HB ASP 16 6.747 -8.555 0.248
100 H PHE 17 H PHE 17 5.284 -4.428 1.228
101 HA PHE 17 HA PHE 17 3.332 -5.944 2.798
102 HB2 PHE 17 1HB PHE 17 4.537 -3.814 3.502
103 HB3 PHE 17 2HB PHE 17 3.475 -2.945 2.401
104 HD1 PHE 17 2HD PHE 17 1.053 -2.746 2.910
105 HD2 PHE 17 1HD PHE 17 3.729 -4.806 5.583
106 HE1 PHE 17 2HE PHE 17 -0.658 -2.629 4.705
107 HE2 PHE 17 1HE PHE 17 2.016 -4.697 7.380
108 HZ PHE 17 HZ PHE 17 -0.179 -3.605 6.946
109 H TYR 18 H TYR 18 1.098 -5.973 2.538
110 HA TYR 18 HA TYR 18 0.096 -5.365 -0.200
111 HB2 TYR 18 1HB TYR 18 -0.771 -7.510 1.760
112 HB3 TYR 18 2HB TYR 18 -1.500 -7.211 0.192
113 HD1 TYR 18 2HD TYR 18 -0.317 -7.742 -1.906
114 HD2 TYR 18 1HD TYR 18 1.419 -8.608 1.946
115 HE1 TYR 18 2HE TYR 18 1.392 -9.165 -3.000
116 HE2 TYR 18 1HE TYR 18 3.113 -10.046 0.859
117 HH TYR 18 HH TYR 18 3.895 -10.929 -1.115
118 H PHE 19 H PHE 19 -1.918 -4.555 -0.569
119 HA PHE 19 HA PHE 19 -3.688 -3.869 1.737
120 HB2 PHE 19 1HB PHE 19 -2.963 -1.973 -0.526
121 HB3 PHE 19 2HB PHE 19 -4.389 -1.824 0.452
122 HD1 PHE 19 1HD PHE 19 -0.640 -2.088 1.042
123 HD2 PHE 19 2HD PHE 19 -4.406 -0.284 2.129
124 HE1 PHE 19 1HE PHE 19 0.543 -0.507 2.538
125 HE2 PHE 19 2HE PHE 19 -3.217 1.257 3.653
126 HZ PHE 19 HZ PHE 19 -0.745 1.156 3.861
127 H MET 20 H MET 20 -5.785 -4.454 1.397
128 HA MET 20 HA MET 20 -6.513 -5.861 -1.044
129 HB2 MET 20 1HB MET 20 -7.237 -6.519 1.206
130 HB3 MET 20 2HB MET 20 -8.193 -5.046 1.363
131 HG2 MET 20 1HG MET 20 -8.633 -6.978 -0.935
132 HG3 MET 20 2HG MET 20 -9.295 -7.327 0.653
133 HE1 MET 20 3HE MET 20 -12.094 -4.780 1.227
134 HE2 MET 20 1HE MET 20 -11.318 -6.291 1.740
135 HE3 MET 20 2HE MET 20 -10.452 -4.746 1.906
136 H LYS 21 H LYS 21 -7.082 -2.621 0.211
137 HA LYS 21 HA LYS 21 -8.652 -1.838 -2.220
138 HB2 LYS 21 1HB LYS 21 -8.477 -0.500 0.513
139 HB3 LYS 21 2HB LYS 21 -9.405 0.092 -0.869
140 HG2 LYS 21 1HG LYS 21 -10.787 -1.988 -0.822
141 HG3 LYS 21 2HG LYS 21 -9.901 -2.520 0.623
142 HD2 LYS 21 1HD LYS 21 -10.629 -0.470 1.826
143 HD3 LYS 21 2HD LYS 21 -11.538 0.044 0.389
144 HE2 LYS 21 1HE LYS 21 -12.906 -2.032 0.523
145 HE3 LYS 21 2HE LYS 21 -12.008 -2.526 1.966
146 HZ1 LYS 21 3HZ LYS 21 -12.845 -0.530 3.090
147 HZ2 LYS 21 1HZ LYS 21 -14.096 -1.431 2.556
148 HZ3 LYS 21 2HZ LYS 21 -13.675 -0.072 1.759
149 H ASN 22 H ASN 22 -8.226 0.187 -3.180
150 HA ASN 22 HA ASN 22 -5.472 1.301 -2.796
151 HB2 ASN 22 1HB ASN 22 -5.943 0.324 -5.043
152 HB3 ASN 22 2HB ASN 22 -7.296 1.442 -5.232
153 HD21 ASN 22 1HD2 ASN 22 -5.849 1.831 -7.245
154 HD22 ASN 22 2HD2 ASN 22 -4.655 3.110 -7.059
155 H GLY 23 H GLY 23 -5.303 3.436 -2.150
156 HA2 GLY 23 1HA GLY 23 -7.172 5.507 -2.352
157 HA3 GLY 23 2HA GLY 23 -7.605 4.630 -0.885
158 H SER 24 H SER 24 -7.159 6.733 0.104
159 HA SER 24 HA SER 24 -4.684 8.069 0.024
160 HB2 SER 24 1HB SER 24 -5.510 9.231 2.070
161 HB3 SER 24 2HB SER 24 -6.669 9.191 0.729
162 HG SER 24 HG SER 24 -7.652 8.656 2.741
163 H ASP 25 H ASP 25 -5.715 5.508 2.324
164 HA ASP 25 HA ASP 25 -3.461 5.843 4.054
165 HB2 ASP 25 1HB ASP 25 -5.682 4.698 4.536
166 HB3 ASP 25 2HB ASP 25 -5.062 3.296 3.660
167 H LEU 26 H LEU 26 -3.843 3.950 1.089
168 HA LEU 26 HA LEU 26 -1.212 2.671 1.260
169 HB2 LEU 26 1HB LEU 26 -2.930 1.584 -0.037
170 HB3 LEU 26 2HB LEU 26 -3.219 3.038 -0.991
171 HG LEU 26 HG LEU 26 -1.003 2.862 -2.034
172 HD11 LEU 26 1HD1 LEU 26 0.360 0.804 -1.749
173 HD12 LEU 26 2HD1 LEU 26 -0.702 0.310 -0.411
174 HD13 LEU 26 3HD1 LEU 26 0.307 1.756 -0.266
175 HD21 LEU 26 3HD2 LEU 26 -2.550 0.245 -2.155
176 HD22 LEU 26 1HD2 LEU 26 -1.416 0.870 -3.374
177 HD23 LEU 26 2HD2 LEU 26 -2.931 1.728 -3.061
178 H GLN 27 H GLN 27 -2.572 5.642 -0.308
179 HA GLN 27 HA GLN 27 -0.163 6.382 -1.590
180 HB2 GLN 27 1HB GLN 27 -2.396 7.261 -2.135
181 HB3 GLN 27 2HB GLN 27 -2.468 8.084 -0.573
182 HG2 GLN 27 1HG GLN 27 -1.923 9.650 -2.332
183 HG3 GLN 27 2HG GLN 27 -0.595 9.509 -1.188
184 HE21 GLN 27 1HE2 GLN 27 1.402 8.440 -1.899
185 HE22 GLN 27 2HE2 GLN 27 1.706 8.233 -3.624
186 H ARG 28 H ARG 28 -1.263 7.031 1.751
187 HA ARG 28 HA ARG 28 1.008 8.611 2.606
188 HB2 ARG 28 1HB ARG 28 -0.868 6.723 4.100
189 HB3 ARG 28 2HB ARG 28 0.342 7.713 4.910
190 HG2 ARG 28 1HG ARG 28 -1.759 8.933 3.101
191 HG3 ARG 28 2HG ARG 28 -2.081 8.569 4.800
192 HD2 ARG 28 1HD ARG 28 -0.274 10.046 5.515
193 HD3 ARG 28 2HD ARG 28 0.202 10.340 3.835
194 HE ARG 28 HE ARG 28 -2.556 11.036 4.191
195 HH11 ARG 28 2HH1 ARG 28 0.600 12.298 5.044
196 HH12 ARG 28 1HH1 ARG 28 0.031 13.945 5.080
197 HH21 ARG 28 2HH2 ARG 28 -3.216 13.157 4.265
198 HH22 ARG 28 1HH2 ARG 28 -2.075 14.408 4.656
199 H HIS 29 H HIS 29 0.415 5.105 2.788
200 HA HIS 29 HA HIS 29 2.941 4.350 3.861
201 HB2 HIS 29 1HB HIS 29 1.049 2.819 3.725
202 HB3 HIS 29 2HB HIS 29 1.106 2.830 1.966
203 HD1 HIS 29 1HD HIS 29 2.853 1.236 4.948
204 HD2 HIS 29 2HD HIS 29 3.131 1.481 0.762
205 HE1 HIS 29 1HE HIS 29 4.513 -0.558 4.261
206 H ILE 30 H ILE 30 2.059 4.935 0.439
207 HA ILE 30 HA ILE 30 4.693 4.302 -0.591
208 HB ILE 30 HB ILE 30 2.280 5.757 -1.714
209 HG12 ILE 30 1HG1 ILE 30 3.558 3.082 -2.454
210 HG13 ILE 30 2HG1 ILE 30 2.241 3.233 -1.297
211 HG21 ILE 30 1HG2 ILE 30 4.193 6.767 -2.809
212 HG22 ILE 30 2HG2 ILE 30 4.948 5.178 -3.040
213 HG23 ILE 30 3HG2 ILE 30 3.484 5.628 -3.945
214 HD11 ILE 30 3HD1 ILE 30 0.859 4.358 -3.052
215 HD12 ILE 30 1HD1 ILE 30 2.118 3.936 -4.242
216 HD13 ILE 30 2HD1 ILE 30 1.258 2.650 -3.388
217 H TRP 31 H TRP 31 3.088 7.453 0.022
218 HA TRP 31 HA TRP 31 5.260 9.157 -0.536
219 HB2 TRP 31 1HB TRP 31 2.994 9.313 1.457
220 HB3 TRP 31 2HB TRP 31 4.191 10.582 1.357
221 HD1 TRP 31 1HD TRP 31 4.338 10.367 -1.971
222 HE1 TRP 31 1HE TRP 31 2.570 11.619 -3.265
223 HE3 TRP 31 3HE TRP 31 0.839 10.863 1.739
224 HZ2 TRP 31 2HZ TRP 31 -0.063 12.755 -2.780
225 HZ3 TRP 31 3HZ TRP 31 -1.302 12.047 1.289
226 HH2 TRP 31 2HH TRP 31 -1.761 12.995 -0.961
227 H ALA 32 H ALA 32 4.843 7.083 2.284
228 HA ALA 32 HA ALA 32 6.967 8.249 3.853
229 HB1 ALA 32 1HB ALA 32 6.732 6.204 5.207
230 HB2 ALA 32 2HB ALA 32 5.137 6.870 4.802
231 HB3 ALA 32 3HB ALA 32 5.757 5.449 3.930
232 H HIS 33 H HIS 33 6.933 5.641 1.385
233 HA HIS 33 HA HIS 33 9.766 4.980 1.684
234 HB2 HIS 33 1HB HIS 33 7.796 4.473 -0.581
235 HB3 HIS 33 2HB HIS 33 9.439 3.860 -0.509
236 HD1 HIS 33 1HD HIS 33 9.886 2.281 1.886
237 HD2 HIS 33 2HD HIS 33 6.072 2.716 0.182
238 HE1 HIS 33 1HE HIS 33 8.557 0.261 2.649
239 H GLU 34 H GLU 34 7.878 7.211 -0.379
240 HA GLU 34 HA GLU 34 10.178 8.264 -1.797
241 HB2 GLU 34 1HB GLU 34 7.397 9.406 -1.337
242 HB3 GLU 34 2HB GLU 34 8.620 10.125 -2.390
243 HG2 GLU 34 1HG GLU 34 8.715 7.960 -3.674
244 HG3 GLU 34 2HG GLU 34 7.327 7.393 -2.740
245 H GLY 35 H GLY 35 9.438 8.575 1.477
246 HA2 GLY 35 1HA GLY 35 10.555 9.716 3.120
247 HA3 GLY 35 2HA GLY 35 11.583 10.456 1.892
248 H VAL 36 H VAL 36 8.081 10.864 1.765
249 HA VAL 36 HA VAL 36 8.243 13.737 1.745
250 HB VAL 36 HB VAL 36 5.840 11.913 2.099
251 HG11 VAL 36 1HG1 VAL 36 5.233 14.187 2.773
252 HG12 VAL 36 2HG1 VAL 36 5.962 14.850 1.289
253 HG13 VAL 36 3HG1 VAL 36 4.519 13.816 1.206
254 HG21 VAL 36 3HG2 VAL 36 5.489 12.303 -0.329
255 HG22 VAL 36 1HG2 VAL 36 7.004 13.228 -0.402
256 HG23 VAL 36 2HG2 VAL 36 7.026 11.492 -0.036
257 H LYS 37 H LYS 37 7.831 15.251 3.279
258 HA LYS 37 HA LYS 37 8.053 14.401 6.107
259 HB2 LYS 37 1HB LYS 37 8.321 17.186 4.925
260 HB3 LYS 37 2HB LYS 37 8.758 16.672 6.549
261 HG2 LYS 37 1HG LYS 37 10.125 15.895 3.945
262 HG3 LYS 37 2HG LYS 37 10.753 16.941 5.218
263 HD2 LYS 37 1HD LYS 37 10.744 14.989 6.793
264 HD3 LYS 37 2HD LYS 37 10.243 13.936 5.463
265 HE2 LYS 37 1HE LYS 37 12.827 15.555 5.594
266 HE3 LYS 37 2HE LYS 37 12.668 13.823 5.903
267 HZ1 LYS 37 3HZ LYS 37 12.202 15.177 3.305
268 HZ2 LYS 37 1HZ LYS 37 11.832 13.608 3.574
269 HZ3 LYS 37 2HZ LYS 37 13.390 14.116 3.656
Start of MODEL 10
1 H1 GLY 1 1H GLY 1 9.363 -18.790 1.986
2 H2 GLY 1 2H GLY 1 9.636 -17.725 0.771
3 H3 GLY 1 3H GLY 1 8.764 -19.085 0.493
4 HA2 GLY 1 1HA GLY 1 7.953 -16.856 2.246
5 HA3 GLY 1 2HA GLY 1 7.301 -17.177 0.629
6 H SER 2 H SER 2 5.366 -17.024 2.268
7 HA SER 2 HA SER 2 4.391 -19.773 2.759
8 HB2 SER 2 1HB SER 2 3.617 -19.194 5.032
9 HB3 SER 2 2HB SER 2 5.380 -19.185 4.896
10 HG SER 2 HG SER 2 4.590 -17.356 6.039
11 H SER 3 H SER 3 2.069 -19.862 3.191
12 HA SER 3 HA SER 3 0.558 -18.280 1.353
13 HB2 SER 3 1HB SER 3 -0.427 -20.127 3.560
14 HB3 SER 3 2HB SER 3 -1.371 -19.546 2.174
15 HG SER 3 HG SER 3 -0.491 -21.645 1.817
16 H GLY 4 H GLY 4 -1.182 -16.848 1.678
17 HA2 GLY 4 1HA GLY 4 -2.115 -15.839 4.173
18 HA3 GLY 4 2HA GLY 4 -0.820 -14.791 3.593
19 H SER 5 H SER 5 -2.671 -13.252 3.684
20 HA SER 5 HA SER 5 -4.876 -13.416 1.880
21 HB2 SER 5 1HB SER 5 -3.788 -10.976 3.323
22 HB3 SER 5 2HB SER 5 -5.425 -11.187 2.671
23 HG SER 5 HG SER 5 -5.333 -11.614 4.925
24 H SER 6 H SER 6 -1.858 -13.066 0.799
25 HA SER 6 HA SER 6 -1.763 -10.732 -0.785
26 HB2 SER 6 1HB SER 6 -0.433 -13.395 -1.385
27 HB3 SER 6 2HB SER 6 0.143 -11.780 -1.826
28 HG SER 6 HG SER 6 0.545 -11.364 0.347
29 H GLY 7 H GLY 7 -3.512 -13.698 -1.424
30 HA2 GLY 7 1HA GLY 7 -3.457 -13.828 -4.245
31 HA3 GLY 7 2HA GLY 7 -4.756 -14.442 -3.225
32 H ARG 8 H ARG 8 -4.126 -12.456 -5.722
33 HA ARG 8 HA ARG 8 -5.046 -10.696 -6.819
34 HB2 ARG 8 1HB ARG 8 -7.620 -11.463 -5.403
35 HB3 ARG 8 2HB ARG 8 -7.485 -10.504 -6.865
36 HG2 ARG 8 1HG ARG 8 -6.773 -13.449 -6.569
37 HG3 ARG 8 2HG ARG 8 -8.178 -12.780 -7.385
38 HD2 ARG 8 1HD ARG 8 -5.279 -12.428 -8.255
39 HD3 ARG 8 2HD ARG 8 -6.464 -13.523 -8.976
40 HE ARG 8 HE ARG 8 -7.634 -10.980 -9.095
41 HH11 ARG 8 2HH1 ARG 8 -4.805 -12.487 -10.510
42 HH12 ARG 8 1HH1 ARG 8 -4.827 -11.435 -11.900
43 HH21 ARG 8 2HH2 ARG 8 -7.600 -9.667 -10.887
44 HH22 ARG 8 1HH2 ARG 8 -6.375 -9.887 -12.103
45 H ALA 9 H ALA 9 -4.001 -10.155 -4.006
46 HA ALA 9 HA ALA 9 -5.367 -7.600 -3.363
47 HB1 ALA 9 1HB ALA 9 -3.930 -7.619 -1.390
48 HB2 ALA 9 2HB ALA 9 -4.727 -9.192 -1.558
49 HB3 ALA 9 3HB ALA 9 -3.019 -8.999 -2.021
50 H MET 10 H MET 10 -4.100 -5.718 -2.913
51 HA MET 10 HA MET 10 -2.427 -4.914 -5.181
52 HB2 MET 10 1HB MET 10 -4.275 -3.603 -3.872
53 HB3 MET 10 2HB MET 10 -3.049 -3.361 -2.639
54 HG2 MET 10 1HG MET 10 -2.954 -2.508 -5.537
55 HG3 MET 10 2HG MET 10 -3.303 -1.475 -4.156
56 HE1 MET 10 3HE MET 10 -1.418 -1.473 -2.045
57 HE2 MET 10 1HE MET 10 -0.481 -2.966 -2.287
58 HE3 MET 10 2HE MET 10 0.318 -1.404 -2.399
59 H LYS 11 H LYS 11 -0.170 -4.783 -5.109
60 HA LYS 11 HA LYS 11 1.209 -5.252 -2.490
61 HB2 LYS 11 1HB LYS 11 1.500 -7.017 -4.316
62 HB3 LYS 11 2HB LYS 11 2.417 -5.807 -5.220
63 HG2 LYS 11 1HG LYS 11 3.989 -5.557 -3.309
64 HG3 LYS 11 2HG LYS 11 3.016 -6.689 -2.357
65 HD2 LYS 11 1HD LYS 11 3.503 -8.458 -4.098
66 HD3 LYS 11 2HD LYS 11 4.627 -7.314 -4.873
67 HE2 LYS 11 1HE LYS 11 5.918 -7.116 -2.798
68 HE3 LYS 11 2HE LYS 11 4.728 -8.092 -1.926
69 HZ1 LYS 11 3HZ LYS 11 5.332 -9.970 -3.362
70 HZ2 LYS 11 1HZ LYS 11 6.582 -9.434 -2.450
71 HZ3 LYS 11 2HZ LYS 11 6.525 -9.084 -4.061
72 H CYS 12 H CYS 12 2.563 -3.757 -1.738
73 HA CYS 12 HA CYS 12 2.539 -1.118 -2.639
74 HB2 CYS 12 1HB CYS 12 3.018 -1.777 -0.374
75 HB3 CYS 12 2HB CYS 12 4.442 -2.695 -0.880
76 HA PRO 13 HA PRO 13 5.472 -1.250 -5.972
77 HB2 PRO 13 1HB PRO 13 5.830 1.466 -6.417
78 HB3 PRO 13 2HB PRO 13 4.436 0.486 -6.952
79 HG2 PRO 13 1HG PRO 13 4.627 2.336 -4.594
80 HG3 PRO 13 2HG PRO 13 3.233 2.016 -5.662
81 HD2 PRO 13 1HD PRO 13 3.526 0.920 -3.158
82 HD3 PRO 13 2HD PRO 13 2.581 0.180 -4.480
83 H TYR 14 H TYR 14 6.355 -0.371 -2.845
84 HA TYR 14 HA TYR 14 9.263 -0.145 -3.587
85 HB2 TYR 14 1HB TYR 14 7.729 1.234 -1.386
86 HB3 TYR 14 2HB TYR 14 9.479 1.249 -1.517
87 HD1 TYR 14 1HD TYR 14 6.334 2.327 -3.154
88 HD2 TYR 14 2HD TYR 14 10.610 2.784 -2.974
89 HE1 TYR 14 1HE TYR 14 6.201 4.273 -4.739
90 HE2 TYR 14 2HE TYR 14 10.465 4.784 -4.456
91 HH TYR 14 HH TYR 14 9.097 6.132 -5.691
92 H CYS 15 H CYS 15 6.927 -1.731 -1.447
93 HA CYS 15 HA CYS 15 9.137 -3.428 -0.430
94 HB2 CYS 15 1HB CYS 15 8.570 -3.249 1.836
95 HB3 CYS 15 2HB CYS 15 8.751 -1.617 1.223
96 H ASP 16 H ASP 16 8.056 -5.194 1.102
97 HA ASP 16 HA ASP 16 6.667 -6.840 -0.843
98 HB2 ASP 16 1HB ASP 16 8.643 -7.508 0.591
99 HB3 ASP 16 2HB ASP 16 7.537 -7.576 1.963
100 H PHE 17 H PHE 17 5.378 -4.704 1.356
101 HA PHE 17 HA PHE 17 3.391 -6.396 2.603
102 HB2 PHE 17 1HB PHE 17 4.515 -4.451 3.671
103 HB3 PHE 17 2HB PHE 17 3.642 -3.377 2.583
104 HD1 PHE 17 1HD PHE 17 2.918 -6.224 4.977
105 HD2 PHE 17 2HD PHE 17 1.723 -2.361 3.476
106 HE1 PHE 17 1HE PHE 17 1.026 -6.178 6.586
107 HE2 PHE 17 2HE PHE 17 -0.167 -2.320 5.080
108 HZ PHE 17 HZ PHE 17 -0.519 -4.230 6.640
109 H TYR 18 H TYR 18 1.156 -6.286 2.520
110 HA TYR 18 HA TYR 18 0.032 -5.604 -0.139
111 HB2 TYR 18 1HB TYR 18 -0.721 -7.752 1.866
112 HB3 TYR 18 2HB TYR 18 -1.635 -7.399 0.403
113 HD1 TYR 18 2HD TYR 18 -0.625 -7.669 -1.843
114 HD2 TYR 18 1HD TYR 18 1.397 -8.971 1.736
115 HE1 TYR 18 2HE TYR 18 1.007 -8.874 -3.223
116 HE2 TYR 18 1HE TYR 18 3.014 -10.237 0.360
117 HH TYR 18 HH TYR 18 3.592 -10.929 -1.737
118 H PHE 19 H PHE 19 -2.012 -4.878 -0.436
119 HA PHE 19 HA PHE 19 -3.622 -3.914 1.879
120 HB2 PHE 19 1HB PHE 19 -2.962 -2.302 -0.615
121 HB3 PHE 19 2HB PHE 19 -4.189 -1.876 0.552
122 HD1 PHE 19 1HD PHE 19 -0.477 -2.435 0.222
123 HD2 PHE 19 2HD PHE 19 -3.667 -0.544 2.429
124 HE1 PHE 19 1HE PHE 19 1.186 -1.106 1.488
125 HE2 PHE 19 2HE PHE 19 -1.994 0.776 3.699
126 HZ PHE 19 HZ PHE 19 0.429 0.489 3.244
127 H MET 20 H MET 20 -5.878 -4.003 1.533
128 HA MET 20 HA MET 20 -6.742 -5.927 -0.460
129 HB2 MET 20 1HB MET 20 -8.941 -5.693 0.511
130 HB3 MET 20 2HB MET 20 -7.716 -5.896 1.762
131 HG2 MET 20 1HG MET 20 -7.769 -3.465 2.228
132 HG3 MET 20 2HG MET 20 -8.994 -3.238 0.980
133 HE1 MET 20 3HE MET 20 -11.118 -5.522 1.309
134 HE2 MET 20 1HE MET 20 -12.210 -4.759 2.482
135 HE3 MET 20 2HE MET 20 -11.487 -3.784 1.184
136 H LYS 21 H LYS 21 -6.834 -2.427 -0.315
137 HA LYS 21 HA LYS 21 -7.804 -2.179 -3.099
138 HB2 LYS 21 1HB LYS 21 -9.202 -0.896 -0.696
139 HB3 LYS 21 2HB LYS 21 -9.454 -0.408 -2.372
140 HG2 LYS 21 1HG LYS 21 -10.265 -2.712 -2.909
141 HG3 LYS 21 2HG LYS 21 -10.141 -3.125 -1.185
142 HD2 LYS 21 1HD LYS 21 -11.737 -1.325 -0.620
143 HD3 LYS 21 2HD LYS 21 -11.863 -0.892 -2.341
144 HE2 LYS 21 1HE LYS 21 -12.697 -3.177 -2.851
145 HE3 LYS 21 2HE LYS 21 -12.584 -3.606 -1.138
146 HZ1 LYS 21 3HZ LYS 21 -14.341 -1.479 -2.252
147 HZ2 LYS 21 1HZ LYS 21 -14.237 -1.869 -0.668
148 HZ3 LYS 21 2HZ LYS 21 -14.843 -2.942 -1.737
149 H ASN 22 H ASN 22 -7.540 0.008 -3.921
150 HA ASN 22 HA ASN 22 -5.210 1.456 -2.874
151 HB2 ASN 22 1HB ASN 22 -5.675 1.118 -5.324
152 HB3 ASN 22 2HB ASN 22 -7.114 2.124 -5.161
153 HD21 ASN 22 1HD2 ASN 22 -5.882 3.272 -6.965
154 HD22 ASN 22 2HD2 ASN 22 -4.734 4.499 -6.449
155 H GLY 23 H GLY 23 -5.274 3.657 -2.115
156 HA2 GLY 23 1HA GLY 23 -7.475 5.285 -1.637
157 HA3 GLY 23 2HA GLY 23 -7.408 4.211 -0.237
158 H SER 24 H SER 24 -7.176 6.649 0.522
159 HA SER 24 HA SER 24 -4.759 8.064 0.207
160 HB2 SER 24 1HB SER 24 -5.497 9.317 2.227
161 HB3 SER 24 2HB SER 24 -6.742 9.153 0.979
162 HG SER 24 HG SER 24 -7.557 8.708 3.088
163 H ASP 25 H ASP 25 -5.498 5.476 2.522
164 HA ASP 25 HA ASP 25 -3.166 5.876 4.169
165 HB2 ASP 25 1HB ASP 25 -5.254 4.650 4.814
166 HB3 ASP 25 2HB ASP 25 -4.783 3.340 3.729
167 H LEU 26 H LEU 26 -3.727 3.910 1.229
168 HA LEU 26 HA LEU 26 -1.053 2.759 1.170
169 HB2 LEU 26 1HB LEU 26 -2.830 1.647 -0.036
170 HB3 LEU 26 2HB LEU 26 -3.199 3.109 -0.954
171 HG LEU 26 HG LEU 26 -1.004 2.995 -2.091
172 HD11 LEU 26 1HD1 LEU 26 0.382 0.958 -1.917
173 HD12 LEU 26 2HD1 LEU 26 -0.658 0.369 -0.605
174 HD13 LEU 26 3HD1 LEU 26 0.341 1.816 -0.376
175 HD21 LEU 26 3HD2 LEU 26 -1.449 0.984 -3.442
176 HD22 LEU 26 1HD2 LEU 26 -2.904 1.941 -3.147
177 HD23 LEU 26 2HD2 LEU 26 -2.642 0.443 -2.231
178 H GLN 27 H GLN 27 -2.604 5.651 -0.326
179 HA GLN 27 HA GLN 27 -0.312 6.566 -1.746
180 HB2 GLN 27 1HB GLN 27 -2.590 8.127 -0.470
181 HB3 GLN 27 2HB GLN 27 -1.358 8.840 -1.511
182 HG2 GLN 27 1HG GLN 27 -2.001 7.414 -3.375
183 HG3 GLN 27 2HG GLN 27 -3.190 6.567 -2.390
184 HE21 GLN 27 1HE2 GLN 27 -2.410 9.794 -3.791
185 HE22 GLN 27 2HE2 GLN 27 -4.080 10.340 -3.777
186 H ARG 28 H ARG 28 -1.284 7.271 1.663
187 HA ARG 28 HA ARG 28 1.060 8.807 2.210
188 HB2 ARG 28 1HB ARG 28 -1.040 8.867 3.590
189 HB3 ARG 28 2HB ARG 28 -0.650 7.258 4.201
190 HG2 ARG 28 1HG ARG 28 0.032 8.883 5.853
191 HG3 ARG 28 2HG ARG 28 1.490 8.180 5.168
192 HD2 ARG 28 1HD ARG 28 1.464 10.270 3.553
193 HD3 ARG 28 2HD ARG 28 0.278 10.920 4.664
194 HE ARG 28 HE ARG 28 1.946 11.254 6.262
195 HH11 ARG 28 2HH1 ARG 28 3.444 9.219 3.803
196 HH12 ARG 28 1HH1 ARG 28 5.003 9.969 4.062
197 HH21 ARG 28 2HH2 ARG 28 4.006 12.026 6.577
198 HH22 ARG 28 1HH2 ARG 28 5.301 11.520 5.525
199 H HIS 29 H HIS 29 0.505 5.318 2.629
200 HA HIS 29 HA HIS 29 3.035 4.672 3.777
201 HB2 HIS 29 1HB HIS 29 1.138 3.140 3.740
202 HB3 HIS 29 2HB HIS 29 1.157 3.085 1.982
203 HD1 HIS 29 1HD HIS 29 3.033 1.655 4.987
204 HD2 HIS 29 2HD HIS 29 2.983 1.542 0.785
205 HE1 HIS 29 1HE HIS 29 4.528 -0.290 4.332
206 H ILE 30 H ILE 30 2.097 5.066 0.329
207 HA ILE 30 HA ILE 30 4.733 4.400 -0.685
208 HB ILE 30 HB ILE 30 2.303 5.806 -1.854
209 HG12 ILE 30 1HG1 ILE 30 3.592 3.133 -2.561
210 HG13 ILE 30 2HG1 ILE 30 2.304 3.286 -1.372
211 HG21 ILE 30 1HG2 ILE 30 3.518 5.607 -4.085
212 HG22 ILE 30 2HG2 ILE 30 4.178 6.813 -2.985
213 HG23 ILE 30 3HG2 ILE 30 4.985 5.240 -3.149
214 HD11 ILE 30 3HD1 ILE 30 2.077 3.965 -4.323
215 HD12 ILE 30 1HD1 ILE 30 1.286 2.652 -3.445
216 HD13 ILE 30 2HD1 ILE 30 0.845 4.346 -3.096
217 H TRP 31 H TRP 31 3.092 7.539 -0.161
218 HA TRP 31 HA TRP 31 5.283 9.231 -0.702
219 HB2 TRP 31 1HB TRP 31 2.974 9.472 1.227
220 HB3 TRP 31 2HB TRP 31 4.112 10.775 0.962
221 HD1 TRP 31 1HD TRP 31 4.332 10.280 -2.267
222 HE1 TRP 31 1HE TRP 31 2.453 11.059 -3.767
223 HE3 TRP 31 3HE TRP 31 0.633 10.785 1.263
224 HZ2 TRP 31 2HZ TRP 31 -0.333 11.829 -3.511
225 HZ3 TRP 31 3HZ TRP 31 -1.628 11.550 0.592
226 HH2 TRP 31 2HH TRP 31 -2.126 12.074 -1.784
227 H ALA 32 H ALA 32 4.799 7.174 2.117
228 HA ALA 32 HA ALA 32 6.892 8.390 3.728
229 HB1 ALA 32 1HB ALA 32 5.007 7.089 4.678
230 HB2 ALA 32 2HB ALA 32 5.621 5.626 3.876
231 HB3 ALA 32 3HB ALA 32 6.581 6.411 5.143
232 H HIS 33 H HIS 33 6.841 5.658 1.379
233 HA HIS 33 HA HIS 33 9.651 4.988 1.720
234 HB2 HIS 33 1HB HIS 33 7.716 4.504 -0.581
235 HB3 HIS 33 2HB HIS 33 9.353 3.875 -0.491
236 HD1 HIS 33 1HD HIS 33 9.754 2.322 1.939
237 HD2 HIS 33 2HD HIS 33 5.981 2.729 0.141
238 HE1 HIS 33 1HE HIS 33 8.414 0.304 2.687
239 H GLU 34 H GLU 34 7.874 7.245 -0.395
240 HA GLU 34 HA GLU 34 10.220 8.304 -1.732
241 HB2 GLU 34 1HB GLU 34 7.380 9.285 -1.343
242 HB3 GLU 34 2HB GLU 34 8.563 10.222 -2.240
243 HG2 GLU 34 1HG GLU 34 7.903 7.345 -2.977
244 HG3 GLU 34 2HG GLU 34 6.997 8.725 -3.584
245 H GLY 35 H GLY 35 9.430 8.585 1.529
246 HA2 GLY 35 1HA GLY 35 10.482 9.759 3.190
247 HA3 GLY 35 2HA GLY 35 11.522 10.510 1.979
248 H VAL 36 H VAL 36 7.999 10.837 1.867
249 HA VAL 36 HA VAL 36 8.176 13.752 2.013
250 HB VAL 36 HB VAL 36 5.741 11.964 1.787
251 HG11 VAL 36 1HG1 VAL 36 6.085 14.933 1.206
252 HG12 VAL 36 2HG1 VAL 36 4.642 13.967 0.823
253 HG13 VAL 36 3HG1 VAL 36 5.100 14.214 2.506
254 HG21 VAL 36 3HG2 VAL 36 7.335 13.371 -0.401
255 HG22 VAL 36 1HG2 VAL 36 7.252 11.617 -0.144
256 HG23 VAL 36 2HG2 VAL 36 5.805 12.495 -0.631
257 H LYS 37 H LYS 37 7.631 15.056 3.620
258 HA LYS 37 HA LYS 37 6.140 14.266 5.998
259 HB2 LYS 37 1HB LYS 37 7.820 14.886 7.599
260 HB3 LYS 37 2HB LYS 37 8.385 13.533 6.646
261 HG2 LYS 37 1HG LYS 37 9.283 16.427 6.215
262 HG3 LYS 37 2HG LYS 37 10.101 15.260 7.246
263 HD2 LYS 37 1HD LYS 37 10.378 13.750 5.250
264 HD3 LYS 37 2HD LYS 37 9.775 15.076 4.230
265 HE2 LYS 37 1HE LYS 37 11.607 16.530 5.025
266 HE3 LYS 37 2HE LYS 37 12.225 15.204 6.023
267 HZ1 LYS 37 3HZ LYS 37 11.992 15.153 3.059
268 HZ2 LYS 37 1HZ LYS 37 12.513 13.904 3.963
269 HZ3 LYS 37 2HZ LYS 37 13.388 15.286 3.898
Start of MODEL 11
1 H1 GLY 1 1H GLY 1 4.260 -20.879 -2.873
2 H2 GLY 1 2H GLY 1 2.894 -20.039 -2.526
3 H3 GLY 1 3H GLY 1 4.326 -19.573 -1.885
4 HA2 GLY 1 1HA GLY 1 5.192 -18.994 -4.050
5 HA3 GLY 1 2HA GLY 1 3.656 -19.524 -4.758
6 H SER 2 H SER 2 4.944 -16.859 -4.858
7 HA SER 2 HA SER 2 3.780 -15.003 -3.050
8 HB2 SER 2 1HB SER 2 4.455 -13.314 -4.754
9 HB3 SER 2 2HB SER 2 5.741 -14.454 -4.319
10 HG SER 2 HG SER 2 5.587 -14.153 -6.596
11 H SER 3 H SER 3 2.393 -16.432 -5.954
12 HA SER 3 HA SER 3 0.234 -14.650 -6.440
13 HB2 SER 3 1HB SER 3 -0.855 -16.671 -7.431
14 HB3 SER 3 2HB SER 3 0.798 -16.385 -8.004
15 HG SER 3 HG SER 3 0.423 -18.595 -7.444
16 H GLY 4 H GLY 4 0.663 -17.012 -3.840
17 HA2 GLY 4 1HA GLY 4 -2.077 -17.065 -2.912
18 HA3 GLY 4 2HA GLY 4 -0.630 -17.532 -2.011
19 H SER 5 H SER 5 0.379 -14.621 -2.679
20 HA SER 5 HA SER 5 -1.060 -13.213 -0.452
21 HB2 SER 5 1HB SER 5 1.754 -12.781 -1.513
22 HB3 SER 5 2HB SER 5 0.964 -11.877 -0.207
23 HG SER 5 HG SER 5 1.505 -14.682 -0.221
24 H SER 6 H SER 6 0.321 -12.709 -3.742
25 HA SER 6 HA SER 6 -0.795 -10.052 -4.023
26 HB2 SER 6 1HB SER 6 0.281 -11.996 -6.097
27 HB3 SER 6 2HB SER 6 -0.094 -10.287 -6.382
28 HG SER 6 HG SER 6 2.136 -10.659 -5.911
29 H GLY 7 H GLY 7 -2.202 -13.229 -4.540
30 HA2 GLY 7 1HA GLY 7 -4.035 -12.720 -6.608
31 HA3 GLY 7 2HA GLY 7 -4.261 -13.898 -5.316
32 H ARG 8 H ARG 8 -5.728 -11.437 -6.782
33 HA ARG 8 HA ARG 8 -7.282 -9.829 -6.376
34 HB2 ARG 8 1HB ARG 8 -8.109 -11.650 -4.087
35 HB3 ARG 8 2HB ARG 8 -9.091 -10.374 -4.814
36 HG2 ARG 8 1HG ARG 8 -9.014 -11.552 -7.003
37 HG3 ARG 8 2HG ARG 8 -8.099 -12.874 -6.248
38 HD2 ARG 8 1HD ARG 8 -9.962 -13.269 -4.671
39 HD3 ARG 8 2HD ARG 8 -10.882 -11.951 -5.427
40 HE ARG 8 HE ARG 8 -10.133 -13.787 -7.464
41 HH11 ARG 8 2HH1 ARG 8 -12.306 -13.746 -4.717
42 HH12 ARG 8 1HH1 ARG 8 -13.385 -14.911 -5.435
43 HH21 ARG 8 2HH2 ARG 8 -11.549 -15.269 -8.323
44 HH22 ARG 8 1HH2 ARG 8 -12.961 -15.747 -7.425
45 H ALA 9 H ALA 9 -4.698 -9.343 -5.166
46 HA ALA 9 HA ALA 9 -5.458 -7.206 -3.237
47 HB1 ALA 9 1HB ALA 9 -3.621 -7.891 -1.750
48 HB2 ALA 9 2HB ALA 9 -4.771 -9.223 -1.946
49 HB3 ALA 9 3HB ALA 9 -3.228 -9.247 -2.828
50 H MET 10 H MET 10 -3.540 -5.804 -2.752
51 HA MET 10 HA MET 10 -2.100 -5.066 -5.273
52 HB2 MET 10 1HB MET 10 -3.896 -3.592 -4.107
53 HB3 MET 10 2HB MET 10 -2.699 -3.319 -2.859
54 HG2 MET 10 1HG MET 10 -2.523 -2.616 -5.807
55 HG3 MET 10 2HG MET 10 -2.826 -1.510 -4.481
56 HE1 MET 10 3HE MET 10 -0.959 -1.469 -2.383
57 HE2 MET 10 1HE MET 10 -0.089 -3.017 -2.511
58 HE3 MET 10 2HE MET 10 0.779 -1.500 -2.715
59 H LYS 11 H LYS 11 0.167 -4.887 -5.196
60 HA LYS 11 HA LYS 11 1.548 -5.350 -2.572
61 HB2 LYS 11 1HB LYS 11 1.753 -7.184 -4.309
62 HB3 LYS 11 2HB LYS 11 2.647 -6.047 -5.319
63 HG2 LYS 11 1HG LYS 11 4.356 -5.773 -3.546
64 HG3 LYS 11 2HG LYS 11 3.419 -6.819 -2.464
65 HD2 LYS 11 1HD LYS 11 3.678 -8.688 -4.124
66 HD3 LYS 11 2HD LYS 11 4.719 -7.634 -5.103
67 HE2 LYS 11 1HE LYS 11 6.314 -7.422 -3.252
68 HE3 LYS 11 2HE LYS 11 5.230 -8.323 -2.177
69 HZ1 LYS 11 3HZ LYS 11 6.974 -9.761 -3.071
70 HZ2 LYS 11 1HZ LYS 11 6.508 -9.456 -4.607
71 HZ3 LYS 11 2HZ LYS 11 5.508 -10.262 -3.591
72 H CYS 12 H CYS 12 2.937 -3.868 -1.865
73 HA CYS 12 HA CYS 12 2.928 -1.250 -2.775
74 HB2 CYS 12 1HB CYS 12 3.393 -1.938 -0.520
75 HB3 CYS 12 2HB CYS 12 4.839 -2.816 -1.024
76 HA PRO 13 HA PRO 13 5.930 -1.237 -6.046
77 HB2 PRO 13 1HB PRO 13 6.253 1.478 -6.431
78 HB3 PRO 13 2HB PRO 13 4.861 0.504 -6.982
79 HG2 PRO 13 1HG PRO 13 5.045 2.322 -4.603
80 HG3 PRO 13 2HG PRO 13 3.649 1.988 -5.666
81 HD2 PRO 13 1HD PRO 13 4.038 0.872 -3.162
82 HD3 PRO 13 2HD PRO 13 3.003 0.183 -4.447
83 H TYR 14 H TYR 14 6.724 -0.397 -2.874
84 HA TYR 14 HA TYR 14 9.646 -0.104 -3.542
85 HB2 TYR 14 1HB TYR 14 8.021 1.156 -1.330
86 HB3 TYR 14 2HB TYR 14 9.775 1.180 -1.385
87 HD1 TYR 14 1HD TYR 14 6.700 2.356 -3.081
88 HD2 TYR 14 2HD TYR 14 10.977 2.736 -2.761
89 HE1 TYR 14 1HE TYR 14 6.636 4.382 -4.561
90 HE2 TYR 14 2HE TYR 14 10.902 4.802 -4.162
91 HH TYR 14 HH TYR 14 7.849 6.029 -5.579
92 H CYS 15 H CYS 15 7.293 -1.759 -1.462
93 HA CYS 15 HA CYS 15 9.490 -3.497 -0.472
94 HB2 CYS 15 1HB CYS 15 8.888 -3.350 1.791
95 HB3 CYS 15 2HB CYS 15 9.094 -1.710 1.204
96 H ASP 16 H ASP 16 8.312 -5.239 1.082
97 HA ASP 16 HA ASP 16 6.807 -6.867 -0.828
98 HB2 ASP 16 1HB ASP 16 7.279 -8.696 0.655
99 HB3 ASP 16 2HB ASP 16 8.744 -7.768 0.386
100 H PHE 17 H PHE 17 5.707 -4.598 1.328
101 HA PHE 17 HA PHE 17 3.660 -6.097 2.692
102 HB2 PHE 17 1HB PHE 17 4.801 -4.029 3.514
103 HB3 PHE 17 2HB PHE 17 3.908 -3.103 2.311
104 HD1 PHE 17 1HD PHE 17 3.423 -5.451 5.215
105 HD2 PHE 17 2HD PHE 17 1.789 -2.218 2.878
106 HE1 PHE 17 1HE PHE 17 1.555 -5.218 6.840
107 HE2 PHE 17 2HE PHE 17 -0.072 -1.979 4.508
108 HZ PHE 17 HZ PHE 17 -0.190 -3.479 6.490
109 H TYR 18 H TYR 18 1.426 -6.023 2.516
110 HA TYR 18 HA TYR 18 0.371 -5.534 -0.218
111 HB2 TYR 18 1HB TYR 18 -0.459 -7.536 1.905
112 HB3 TYR 18 2HB TYR 18 -1.311 -7.282 0.385
113 HD1 TYR 18 2HD TYR 18 -0.171 -7.672 -1.799
114 HD2 TYR 18 1HD TYR 18 1.614 -8.819 1.953
115 HE1 TYR 18 2HE TYR 18 1.530 -8.951 -3.018
116 HE2 TYR 18 1HE TYR 18 3.303 -10.155 0.739
117 HH TYR 18 HH TYR 18 4.069 -10.870 -1.285
118 H PHE 19 H PHE 19 -1.670 -4.799 -0.599
119 HA PHE 19 HA PHE 19 -3.208 -3.570 1.646
120 HB2 PHE 19 1HB PHE 19 -2.233 -2.277 -0.875
121 HB3 PHE 19 2HB PHE 19 -3.827 -1.851 -0.308
122 HD1 PHE 19 1HD PHE 19 -0.224 -1.925 0.740
123 HD2 PHE 19 2HD PHE 19 -4.161 -0.308 1.439
124 HE1 PHE 19 1HE PHE 19 0.729 -0.260 2.322
125 HE2 PHE 19 2HE PHE 19 -3.202 1.325 3.039
126 HZ PHE 19 HZ PHE 19 -0.768 1.344 3.494
127 H MET 20 H MET 20 -5.346 -3.467 1.463
128 HA MET 20 HA MET 20 -6.819 -4.754 -0.769
129 HB2 MET 20 1HB MET 20 -8.150 -6.064 0.890
130 HB3 MET 20 2HB MET 20 -6.469 -6.569 0.775
131 HG2 MET 20 1HG MET 20 -5.873 -5.567 2.833
132 HG3 MET 20 2HG MET 20 -7.342 -4.597 2.911
133 HE1 MET 20 3HE MET 20 -10.054 -6.826 4.274
134 HE2 MET 20 1HE MET 20 -9.422 -5.175 4.076
135 HE3 MET 20 2HE MET 20 -9.813 -6.156 2.645
136 H LYS 21 H LYS 21 -6.458 -1.991 0.015
137 HA LYS 21 HA LYS 21 -9.191 -1.089 0.852
138 HB2 LYS 21 1HB LYS 21 -6.473 -0.234 1.938
139 HB3 LYS 21 2HB LYS 21 -7.936 0.711 2.182
140 HG2 LYS 21 1HG LYS 21 -9.025 -1.080 3.385
141 HG3 LYS 21 2HG LYS 21 -7.673 -2.184 3.105
142 HD2 LYS 21 1HD LYS 21 -7.334 0.468 4.563
143 HD3 LYS 21 2HD LYS 21 -7.784 -1.028 5.397
144 HE2 LYS 21 1HE LYS 21 -5.762 -2.142 4.758
145 HE3 LYS 21 2HE LYS 21 -5.316 -0.854 3.629
146 HZ1 LYS 21 3HZ LYS 21 -4.106 -0.681 5.743
147 HZ2 LYS 21 1HZ LYS 21 -5.505 -0.455 6.562
148 HZ3 LYS 21 2HZ LYS 21 -5.004 0.652 5.452
149 H ASN 22 H ASN 22 -9.377 1.340 0.543
150 HA ASN 22 HA ASN 22 -9.097 2.007 -2.206
151 HB2 ASN 22 1HB ASN 22 -10.826 2.860 -0.571
152 HB3 ASN 22 2HB ASN 22 -9.575 3.869 0.160
153 HD21 ASN 22 1HD2 ASN 22 -11.193 5.598 -0.416
154 HD22 ASN 22 2HD2 ASN 22 -11.110 6.252 -2.047
155 H GLY 23 H GLY 23 -7.838 3.588 -3.258
156 HA2 GLY 23 1HA GLY 23 -5.074 3.262 -2.886
157 HA3 GLY 23 2HA GLY 23 -5.833 4.439 -3.958
158 H SER 24 H SER 24 -7.102 5.869 -1.571
159 HA SER 24 HA SER 24 -5.102 7.809 -1.073
160 HB2 SER 24 1HB SER 24 -7.561 7.199 0.610
161 HB3 SER 24 2HB SER 24 -6.654 8.723 0.566
162 HG SER 24 HG SER 24 -8.513 8.801 -0.776
163 H ASP 25 H ASP 25 -5.901 4.878 0.798
164 HA ASP 25 HA ASP 25 -4.217 5.679 3.073
165 HB2 ASP 25 1HB ASP 25 -6.356 4.318 3.211
166 HB3 ASP 25 2HB ASP 25 -5.472 2.976 2.484
167 H LEU 26 H LEU 26 -3.932 3.603 0.222
168 HA LEU 26 HA LEU 26 -1.301 2.530 0.764
169 HB2 LEU 26 1HB LEU 26 -2.754 1.466 -0.832
170 HB3 LEU 26 2HB LEU 26 -2.967 2.962 -1.738
171 HG LEU 26 HG LEU 26 -0.618 2.906 -2.473
172 HD11 LEU 26 1HD1 LEU 26 0.443 1.682 -0.615
173 HD12 LEU 26 2HD1 LEU 26 0.729 0.847 -2.141
174 HD13 LEU 26 3HD1 LEU 26 -0.503 0.242 -1.009
175 HD21 LEU 26 3HD2 LEU 26 -2.347 1.901 -3.852
176 HD22 LEU 26 1HD2 LEU 26 -2.190 0.360 -2.986
177 HD23 LEU 26 2HD2 LEU 26 -0.846 0.973 -3.983
178 H GLN 27 H GLN 27 -2.442 5.503 -0.935
179 HA GLN 27 HA GLN 27 0.045 6.317 -1.912
180 HB2 GLN 27 1HB GLN 27 -2.131 7.199 -2.619
181 HB3 GLN 27 2HB GLN 27 -2.371 7.949 -1.038
182 HG2 GLN 27 1HG GLN 27 -1.715 9.603 -2.674
183 HG3 GLN 27 2HG GLN 27 -0.475 9.445 -1.439
184 HE21 GLN 27 1HE2 GLN 27 1.589 8.432 -2.040
185 HE22 GLN 27 2HE2 GLN 27 2.027 8.301 -3.743
186 H ARG 28 H ARG 28 -1.283 6.773 1.365
187 HA ARG 28 HA ARG 28 0.841 8.489 2.332
188 HB2 ARG 28 1HB ARG 28 -1.418 8.251 3.363
189 HB3 ARG 28 2HB ARG 28 -1.003 6.605 3.865
190 HG2 ARG 28 1HG ARG 28 0.835 7.484 5.274
191 HG3 ARG 28 2HG ARG 28 0.491 9.132 4.712
192 HD2 ARG 28 1HD ARG 28 -1.794 8.972 5.705
193 HD3 ARG 28 2HD ARG 28 -1.441 7.329 6.234
194 HE ARG 28 HE ARG 28 -0.109 8.118 7.966
195 HH11 ARG 28 2HH1 ARG 28 -0.940 10.885 5.972
196 HH12 ARG 28 1HH1 ARG 28 -0.345 12.019 7.152
197 HH21 ARG 28 2HH2 ARG 28 0.626 9.622 9.415
198 HH22 ARG 28 1HH2 ARG 28 0.516 11.319 9.044
199 H HIS 29 H HIS 29 0.433 4.933 2.340
200 HA HIS 29 HA HIS 29 2.903 4.343 3.707
201 HB2 HIS 29 1HB HIS 29 1.096 2.735 3.534
202 HB3 HIS 29 2HB HIS 29 1.195 2.723 1.774
203 HD1 HIS 29 1HD HIS 29 2.914 1.232 4.827
204 HD2 HIS 29 2HD HIS 29 3.247 1.378 0.640
205 HE1 HIS 29 1HE HIS 29 4.578 -0.581 4.205
206 H ILE 30 H ILE 30 2.149 4.889 0.255
207 HA ILE 30 HA ILE 30 4.844 4.320 -0.662
208 HB ILE 30 HB ILE 30 2.471 5.766 -1.887
209 HG12 ILE 30 1HG1 ILE 30 3.803 3.097 -2.561
210 HG13 ILE 30 2HG1 ILE 30 2.390 3.252 -1.517
211 HG21 ILE 30 1HG2 ILE 30 5.201 5.200 -3.088
212 HG22 ILE 30 2HG2 ILE 30 3.786 5.696 -4.047
213 HG23 ILE 30 3HG2 ILE 30 4.454 6.794 -2.848
214 HD11 ILE 30 3HD1 ILE 30 1.173 4.386 -3.387
215 HD12 ILE 30 1HD1 ILE 30 2.527 3.950 -4.465
216 HD13 ILE 30 2HD1 ILE 30 1.590 2.672 -3.688
217 H TRP 31 H TRP 31 3.139 7.417 -0.075
218 HA TRP 31 HA TRP 31 5.303 9.188 -0.445
219 HB2 TRP 31 1HB TRP 31 2.914 9.212 1.399
220 HB3 TRP 31 2HB TRP 31 4.082 10.512 1.441
221 HD1 TRP 31 1HD TRP 31 4.434 10.415 -1.896
222 HE1 TRP 31 1HE TRP 31 2.728 11.696 -3.241
223 HE3 TRP 31 3HE TRP 31 0.725 10.754 1.636
224 HZ2 TRP 31 2HZ TRP 31 0.057 12.778 -2.870
225 HZ3 TRP 31 3HZ TRP 31 -1.400 11.923 1.096
226 HH2 TRP 31 2HH TRP 31 -1.745 12.936 -1.145
227 H ALA 32 H ALA 32 4.763 7.007 2.277
228 HA ALA 32 HA ALA 32 6.773 8.166 4.002
229 HB1 ALA 32 1HB ALA 32 4.909 6.738 4.805
230 HB2 ALA 32 2HB ALA 32 5.616 5.347 3.952
231 HB3 ALA 32 3HB ALA 32 6.492 6.102 5.296
232 H HIS 33 H HIS 33 6.908 5.594 1.493
233 HA HIS 33 HA HIS 33 9.728 4.982 1.907
234 HB2 HIS 33 1HB HIS 33 7.880 4.516 -0.467
235 HB3 HIS 33 2HB HIS 33 9.532 3.936 -0.343
236 HD1 HIS 33 1HD HIS 33 9.911 2.307 2.032
237 HD2 HIS 33 2HD HIS 33 6.169 2.683 0.161
238 HE1 HIS 33 1HE HIS 33 8.603 0.238 2.689
239 H GLU 34 H GLU 34 7.930 7.260 -0.183
240 HA GLU 34 HA GLU 34 10.296 8.380 -1.435
241 HB2 GLU 34 1HB GLU 34 7.474 9.470 -1.120
242 HB3 GLU 34 2HB GLU 34 8.746 10.229 -2.079
243 HG2 GLU 34 1HG GLU 34 8.955 8.102 -3.407
244 HG3 GLU 34 2HG GLU 34 7.526 7.487 -2.571
245 H GLY 35 H GLY 35 9.390 8.591 1.799
246 HA2 GLY 35 1HA GLY 35 10.411 9.710 3.518
247 HA3 GLY 35 2HA GLY 35 11.465 10.516 2.355
248 H VAL 36 H VAL 36 7.962 10.835 2.094
249 HA VAL 36 HA VAL 36 8.045 13.720 2.243
250 HB VAL 36 HB VAL 36 5.683 11.815 2.298
251 HG11 VAL 36 1HG1 VAL 36 4.944 14.016 3.058
252 HG12 VAL 36 2HG1 VAL 36 5.772 14.799 1.687
253 HG13 VAL 36 3HG1 VAL 36 4.374 13.735 1.417
254 HG21 VAL 36 3HG2 VAL 36 7.032 11.560 0.231
255 HG22 VAL 36 1HG2 VAL 36 5.493 12.343 -0.121
256 HG23 VAL 36 2HG2 VAL 36 6.978 13.315 -0.027
257 H LYS 37 H LYS 37 7.383 15.117 3.819
258 HA LYS 37 HA LYS 37 6.788 14.080 6.565
259 HB2 LYS 37 1HB LYS 37 8.607 16.397 5.792
260 HB3 LYS 37 2HB LYS 37 8.100 15.995 7.436
261 HG2 LYS 37 1HG LYS 37 9.197 13.767 7.236
262 HG3 LYS 37 2HG LYS 37 9.749 14.194 5.604
263 HD2 LYS 37 1HD LYS 37 11.005 16.127 6.533
264 HD3 LYS 37 2HD LYS 37 10.485 15.668 8.170
265 HE2 LYS 37 1HE LYS 37 11.596 13.461 7.897
266 HE3 LYS 37 2HE LYS 37 12.106 13.915 6.265
267 HZ1 LYS 37 3HZ LYS 37 13.415 15.722 7.251
268 HZ2 LYS 37 1HZ LYS 37 13.878 14.290 7.881
269 HZ3 LYS 37 2HZ LYS 37 12.946 15.301 8.759
Start of MODEL 12
1 H1 GLY 1 1H GLY 1 -3.917 -10.789 5.837
2 H2 GLY 1 2H GLY 1 -3.688 -9.929 7.212
3 H3 GLY 1 3H GLY 1 -3.973 -9.150 5.798
4 HA2 GLY 1 1HA GLY 1 -5.953 -9.123 7.169
5 HA3 GLY 1 2HA GLY 1 -6.201 -10.033 5.667
6 H SER 2 H SER 2 -7.389 -10.198 8.492
7 HA SER 2 HA SER 2 -6.469 -12.626 9.697
8 HB2 SER 2 1HB SER 2 -9.105 -11.172 10.108
9 HB3 SER 2 2HB SER 2 -8.349 -12.337 11.212
10 HG SER 2 HG SER 2 -7.917 -10.164 11.824
11 H SER 3 H SER 3 -8.683 -12.205 7.066
12 HA SER 3 HA SER 3 -9.200 -15.097 6.959
13 HB2 SER 3 1HB SER 3 -11.072 -14.133 8.338
14 HB3 SER 3 2HB SER 3 -11.525 -13.130 6.947
15 HG SER 3 HG SER 3 -12.695 -15.137 7.083
16 H GLY 4 H GLY 4 -10.034 -15.776 4.898
17 HA2 GLY 4 1HA GLY 4 -9.005 -14.263 2.604
18 HA3 GLY 4 2HA GLY 4 -9.718 -15.876 2.590
19 H SER 5 H SER 5 -10.651 -12.458 3.145
20 HA SER 5 HA SER 5 -13.442 -12.842 2.491
21 HB2 SER 5 1HB SER 5 -13.634 -10.455 2.788
22 HB3 SER 5 2HB SER 5 -12.609 -11.127 4.066
23 HG SER 5 HG SER 5 -11.684 -9.238 3.183
24 H SER 6 H SER 6 -14.572 -11.464 0.855
25 HA SER 6 HA SER 6 -13.647 -12.086 -1.797
26 HB2 SER 6 1HB SER 6 -16.026 -10.402 -0.944
27 HB3 SER 6 2HB SER 6 -15.775 -11.168 -2.524
28 HG SER 6 HG SER 6 -17.142 -12.418 -1.165
29 H GLY 7 H GLY 7 -12.526 -9.589 0.009
30 HA2 GLY 7 1HA GLY 7 -12.702 -7.308 -1.756
31 HA3 GLY 7 2HA GLY 7 -11.610 -7.511 -0.390
32 H ARG 8 H ARG 8 -10.512 -6.181 -2.315
33 HA ARG 8 HA ARG 8 -8.695 -8.052 -3.767
34 HB2 ARG 8 1HB ARG 8 -10.641 -6.653 -5.102
35 HB3 ARG 8 2HB ARG 8 -9.369 -5.445 -5.080
36 HG2 ARG 8 1HG ARG 8 -9.085 -6.617 -7.114
37 HG3 ARG 8 2HG ARG 8 -7.807 -7.217 -6.063
38 HD2 ARG 8 1HD ARG 8 -8.715 -9.100 -7.205
39 HD3 ARG 8 2HD ARG 8 -9.284 -9.233 -5.550
40 HE ARG 8 HE ARG 8 -10.872 -8.409 -7.955
41 HH11 ARG 8 2HH1 ARG 8 -11.010 -9.451 -4.588
42 HH12 ARG 8 1HH1 ARG 8 -12.736 -9.586 -4.619
43 HH21 ARG 8 2HH2 ARG 8 -13.070 -8.688 -7.925
44 HH22 ARG 8 1HH2 ARG 8 -13.852 -9.252 -6.477
45 H ALA 9 H ALA 9 -6.590 -7.411 -4.069
46 HA ALA 9 HA ALA 9 -5.606 -5.013 -2.622
47 HB1 ALA 9 1HB ALA 9 -5.712 -6.888 -0.980
48 HB2 ALA 9 2HB ALA 9 -4.703 -7.875 -2.081
49 HB3 ALA 9 3HB ALA 9 -4.037 -6.413 -1.345
50 H MET 10 H MET 10 -3.199 -4.967 -2.655
51 HA MET 10 HA MET 10 -1.895 -5.959 -5.118
52 HB2 MET 10 1HB MET 10 -1.354 -3.786 -5.894
53 HB3 MET 10 2HB MET 10 -3.074 -3.772 -5.485
54 HG2 MET 10 1HG MET 10 -2.413 -1.767 -4.633
55 HG3 MET 10 2HG MET 10 -2.293 -2.766 -3.197
56 HE1 MET 10 3HE MET 10 0.371 -3.313 -2.018
57 HE2 MET 10 1HE MET 10 1.003 -1.677 -1.921
58 HE3 MET 10 2HE MET 10 -0.731 -1.969 -1.687
59 H LYS 11 H LYS 11 0.502 -5.282 -5.057
60 HA LYS 11 HA LYS 11 1.616 -5.456 -2.279
61 HB2 LYS 11 1HB LYS 11 1.857 -7.475 -3.804
62 HB3 LYS 11 2HB LYS 11 2.904 -6.488 -4.828
63 HG2 LYS 11 1HG LYS 11 4.444 -6.155 -2.867
64 HG3 LYS 11 2HG LYS 11 3.356 -7.158 -1.881
65 HD2 LYS 11 1HD LYS 11 3.680 -9.019 -3.582
66 HD3 LYS 11 2HD LYS 11 4.916 -8.020 -4.363
67 HE2 LYS 11 1HE LYS 11 6.261 -8.014 -2.323
68 HE3 LYS 11 2HE LYS 11 4.978 -8.852 -1.430
69 HZ1 LYS 11 3HZ LYS 11 5.292 -10.766 -2.895
70 HZ2 LYS 11 1HZ LYS 11 6.702 -10.405 -2.158
71 HZ3 LYS 11 2HZ LYS 11 6.476 -10.004 -3.724
72 H CYS 12 H CYS 12 3.107 -3.991 -1.661
73 HA CYS 12 HA CYS 12 3.047 -1.450 -2.729
74 HB2 CYS 12 1HB CYS 12 3.487 -1.976 -0.432
75 HB3 CYS 12 2HB CYS 12 4.960 -2.852 -0.846
76 HA PRO 13 HA PRO 13 6.087 -1.475 -5.948
77 HB2 PRO 13 1HB PRO 13 6.374 1.240 -6.402
78 HB3 PRO 13 2HB PRO 13 5.023 0.219 -6.966
79 HG2 PRO 13 1HG PRO 13 5.094 2.106 -4.637
80 HG3 PRO 13 2HG PRO 13 3.734 1.708 -5.724
81 HD2 PRO 13 1HD PRO 13 4.060 0.688 -3.186
82 HD3 PRO 13 2HD PRO 13 3.106 -0.088 -4.484
83 H TYR 14 H TYR 14 6.821 -0.534 -2.796
84 HA TYR 14 HA TYR 14 9.750 -0.244 -3.426
85 HB2 TYR 14 1HB TYR 14 8.102 1.078 -1.273
86 HB3 TYR 14 2HB TYR 14 9.854 1.145 -1.349
87 HD1 TYR 14 1HD TYR 14 6.730 2.142 -3.093
88 HD2 TYR 14 2HD TYR 14 10.976 2.756 -2.716
89 HE1 TYR 14 1HE TYR 14 6.588 4.130 -4.623
90 HE2 TYR 14 2HE TYR 14 10.811 4.798 -4.140
91 HH TYR 14 HH TYR 14 9.441 6.133 -5.386
92 H CYS 15 H CYS 15 7.371 -1.900 -1.387
93 HA CYS 15 HA CYS 15 9.550 -3.577 -0.297
94 HB2 CYS 15 1HB CYS 15 8.896 -3.395 1.963
95 HB3 CYS 15 2HB CYS 15 9.166 -1.775 1.349
96 H ASP 16 H ASP 16 8.322 -5.293 1.284
97 HA ASP 16 HA ASP 16 6.945 -6.948 -0.681
98 HB2 ASP 16 1HB ASP 16 7.339 -8.760 0.841
99 HB3 ASP 16 2HB ASP 16 8.803 -7.806 0.674
100 H PHE 17 H PHE 17 5.694 -4.742 1.522
101 HA PHE 17 HA PHE 17 3.617 -6.416 2.644
102 HB2 PHE 17 1HB PHE 17 4.874 -4.389 3.676
103 HB3 PHE 17 2HB PHE 17 3.676 -3.410 2.844
104 HD1 PHE 17 2HD PHE 17 4.202 -6.107 5.372
105 HD2 PHE 17 1HD PHE 17 1.397 -3.272 3.735
106 HE1 PHE 17 2HE PHE 17 2.651 -6.544 7.263
107 HE2 PHE 17 1HE PHE 17 -0.147 -3.705 5.622
108 HZ PHE 17 HZ PHE 17 0.473 -5.342 7.393
109 H TYR 18 H TYR 18 1.377 -6.222 2.484
110 HA TYR 18 HA TYR 18 0.361 -5.326 -0.156
111 HB2 TYR 18 1HB TYR 18 -0.627 -7.380 1.844
112 HB3 TYR 18 2HB TYR 18 -1.568 -6.857 0.460
113 HD1 TYR 18 1HD TYR 18 1.739 -8.402 1.365
114 HD2 TYR 18 2HD TYR 18 -1.294 -7.839 -1.652
115 HE1 TYR 18 1HE TYR 18 2.893 -10.021 -0.092
116 HE2 TYR 18 2HE TYR 18 -0.158 -9.478 -3.109
117 HH TYR 18 HH TYR 18 1.600 -10.967 -3.315
118 H PHE 19 H PHE 19 -1.529 -4.201 -0.431
119 HA PHE 19 HA PHE 19 -3.068 -3.289 1.930
120 HB2 PHE 19 1HB PHE 19 -2.070 -1.369 -0.206
121 HB3 PHE 19 2HB PHE 19 -3.323 -1.011 0.950
122 HD1 PHE 19 1HD PHE 19 0.324 -1.839 0.685
123 HD2 PHE 19 2HD PHE 19 -2.850 -0.278 3.157
124 HE1 PHE 19 1HE PHE 19 1.986 -1.123 2.377
125 HE2 PHE 19 2HE PHE 19 -1.179 0.462 4.831
126 HZ PHE 19 HZ PHE 19 1.238 0.019 4.458
127 H MET 20 H MET 20 -5.229 -2.878 1.526
128 HA MET 20 HA MET 20 -6.400 -4.247 -0.756
129 HB2 MET 20 1HB MET 20 -8.507 -3.849 0.278
130 HB3 MET 20 2HB MET 20 -7.372 -4.395 1.505
131 HG2 MET 20 1HG MET 20 -7.106 -2.143 2.368
132 HG3 MET 20 2HG MET 20 -8.044 -1.458 1.047
133 HE1 MET 20 3HE MET 20 -10.655 -3.282 0.761
134 HE2 MET 20 1HE MET 20 -11.714 -2.365 1.847
135 HE3 MET 20 2HE MET 20 -10.593 -1.504 0.771
136 H LYS 21 H LYS 21 -8.233 -3.226 -1.938
137 HA LYS 21 HA LYS 21 -7.414 -1.115 -3.596
138 HB2 LYS 21 1HB LYS 21 -9.536 -1.437 -4.709
139 HB3 LYS 21 2HB LYS 21 -8.871 -2.992 -4.224
140 HG2 LYS 21 1HG LYS 21 -10.415 -3.058 -2.265
141 HG3 LYS 21 2HG LYS 21 -11.063 -1.475 -2.728
142 HD2 LYS 21 1HD LYS 21 -11.805 -2.457 -4.921
143 HD3 LYS 21 2HD LYS 21 -11.192 -4.024 -4.386
144 HE2 LYS 21 1HE LYS 21 -13.528 -4.079 -4.004
145 HE3 LYS 21 2HE LYS 21 -12.767 -3.925 -2.420
146 HZ1 LYS 21 3HZ LYS 21 -13.978 -1.686 -3.965
147 HZ2 LYS 21 1HZ LYS 21 -13.306 -1.535 -2.482
148 HZ3 LYS 21 2HZ LYS 21 -14.665 -2.416 -2.681
149 H ASN 22 H ASN 22 -7.815 -0.128 -0.699
150 HA ASN 22 HA ASN 22 -9.997 1.810 -0.919
151 HB2 ASN 22 1HB ASN 22 -9.519 2.409 1.325
152 HB3 ASN 22 2HB ASN 22 -9.447 0.663 1.201
153 HD21 ASN 22 1HD2 ASN 22 -8.174 0.410 3.079
154 HD22 ASN 22 2HD2 ASN 22 -6.513 0.981 3.150
155 H GLY 23 H GLY 23 -6.686 1.884 -1.835
156 HA2 GLY 23 1HA GLY 23 -5.516 3.483 -3.023
157 HA3 GLY 23 2HA GLY 23 -6.902 4.565 -2.925
158 H SER 24 H SER 24 -7.252 5.320 -0.444
159 HA SER 24 HA SER 24 -5.207 7.206 -0.083
160 HB2 SER 24 1HB SER 24 -7.339 6.370 1.916
161 HB3 SER 24 2HB SER 24 -6.424 7.890 1.931
162 HG SER 24 HG SER 24 -8.477 8.122 0.918
163 H ASP 25 H ASP 25 -5.650 4.150 1.765
164 HA ASP 25 HA ASP 25 -3.644 4.888 3.748
165 HB2 ASP 25 1HB ASP 25 -5.610 3.340 4.109
166 HB3 ASP 25 2HB ASP 25 -4.769 2.141 3.117
167 H LEU 26 H LEU 26 -3.643 3.112 0.704
168 HA LEU 26 HA LEU 26 -0.877 2.221 0.822
169 HB2 LEU 26 1HB LEU 26 -2.500 1.100 -0.596
170 HB3 LEU 26 2HB LEU 26 -2.887 2.600 -1.435
171 HG LEU 26 HG LEU 26 -0.641 2.689 -2.428
172 HD11 LEU 26 1HD1 LEU 26 0.839 0.650 -2.224
173 HD12 LEU 26 2HD1 LEU 26 -0.192 0.116 -0.872
174 HD13 LEU 26 3HD1 LEU 26 0.742 1.610 -0.746
175 HD21 LEU 26 3HD2 LEU 26 -2.004 -0.000 -2.780
176 HD22 LEU 26 1HD2 LEU 26 -0.877 0.774 -3.922
177 HD23 LEU 26 2HD2 LEU 26 -2.451 1.515 -3.593
178 H GLN 27 H GLN 27 -2.552 5.078 -0.597
179 HA GLN 27 HA GLN 27 -0.353 6.234 -1.885
180 HB2 GLN 27 1HB GLN 27 -2.706 6.886 -2.171
181 HB3 GLN 27 2HB GLN 27 -2.734 7.588 -0.547
182 HG2 GLN 27 1HG GLN 27 -1.089 9.273 -1.208
183 HG3 GLN 27 2HG GLN 27 -0.888 8.506 -2.792
184 HE21 GLN 27 1HE2 GLN 27 -3.374 10.122 -0.704
185 HE22 GLN 27 2HE2 GLN 27 -4.311 10.713 -2.069
186 H ARG 28 H ARG 28 -1.411 6.790 1.531
187 HA ARG 28 HA ARG 28 0.847 8.496 2.120
188 HB2 ARG 28 1HB ARG 28 0.187 8.424 4.401
189 HB3 ARG 28 2HB ARG 28 -1.236 8.617 3.380
190 HG2 ARG 28 1HG ARG 28 -1.805 6.236 3.697
191 HG3 ARG 28 2HG ARG 28 -0.362 6.010 4.710
192 HD2 ARG 28 1HD ARG 28 -1.213 7.713 6.290
193 HD3 ARG 28 2HD ARG 28 -2.666 7.919 5.289
194 HE ARG 28 HE ARG 28 -2.582 5.179 5.866
195 HH11 ARG 28 2HH1 ARG 28 -2.799 8.055 7.886
196 HH12 ARG 28 1HH1 ARG 28 -3.646 7.181 9.135
197 HH21 ARG 28 2HH2 ARG 28 -3.620 4.210 7.361
198 HH22 ARG 28 1HH2 ARG 28 -4.114 4.999 8.864
199 H HIS 29 H HIS 29 0.514 4.975 2.282
200 HA HIS 29 HA HIS 29 3.015 4.517 3.665
201 HB2 HIS 29 1HB HIS 29 1.268 2.829 3.591
202 HB3 HIS 29 2HB HIS 29 1.335 2.763 1.833
203 HD1 HIS 29 1HD HIS 29 3.454 1.731 4.883
204 HD2 HIS 29 2HD HIS 29 3.177 1.242 0.716
205 HE1 HIS 29 1HE HIS 29 5.087 -0.121 4.296
206 H ILE 30 H ILE 30 2.184 4.830 0.185
207 HA ILE 30 HA ILE 30 4.895 4.305 -0.715
208 HB ILE 30 HB ILE 30 2.445 5.566 -2.009
209 HG12 ILE 30 1HG1 ILE 30 3.905 2.943 -2.593
210 HG13 ILE 30 2HG1 ILE 30 2.522 3.066 -1.507
211 HG21 ILE 30 1HG2 ILE 30 4.349 6.644 -3.052
212 HG22 ILE 30 2HG2 ILE 30 5.198 5.086 -3.193
213 HG23 ILE 30 3HG2 ILE 30 3.758 5.426 -4.176
214 HD11 ILE 30 3HD1 ILE 30 2.511 3.664 -4.485
215 HD12 ILE 30 1HD1 ILE 30 1.693 2.351 -3.641
216 HD13 ILE 30 2HD1 ILE 30 1.170 4.039 -3.372
217 H TRP 31 H TRP 31 3.049 7.336 -0.285
218 HA TRP 31 HA TRP 31 5.107 9.209 -0.757
219 HB2 TRP 31 1HB TRP 31 2.775 9.142 1.154
220 HB3 TRP 31 2HB TRP 31 3.833 10.533 1.076
221 HD1 TRP 31 1HD TRP 31 3.944 9.927 -2.335
222 HE1 TRP 31 1HE TRP 31 2.142 11.094 -3.666
223 HE3 TRP 31 3HE TRP 31 0.666 10.943 1.481
224 HZ2 TRP 31 2HZ TRP 31 -0.417 12.376 -3.170
225 HZ3 TRP 31 3HZ TRP 31 -1.443 12.173 1.015
226 HH2 TRP 31 2HH TRP 31 -1.989 12.901 -1.297
227 H ALA 32 H ALA 32 4.709 7.110 2.067
228 HA ALA 32 HA ALA 32 6.707 8.444 3.681
229 HB1 ALA 32 1HB ALA 32 6.484 6.457 5.125
230 HB2 ALA 32 2HB ALA 32 4.890 7.069 4.639
231 HB3 ALA 32 3HB ALA 32 5.568 5.623 3.856
232 H HIS 33 H HIS 33 6.863 5.654 1.402
233 HA HIS 33 HA HIS 33 9.687 5.118 1.810
234 HB2 HIS 33 1HB HIS 33 7.821 4.572 -0.535
235 HB3 HIS 33 2HB HIS 33 9.500 4.067 -0.468
236 HD1 HIS 33 1HD HIS 33 10.065 2.427 1.825
237 HD2 HIS 33 2HD HIS 33 6.203 2.689 0.195
238 HE1 HIS 33 1HE HIS 33 8.886 0.288 2.505
239 H GLU 34 H GLU 34 7.887 7.322 -0.334
240 HA GLU 34 HA GLU 34 10.244 8.484 -1.576
241 HB2 GLU 34 1HB GLU 34 7.332 9.306 -1.365
242 HB3 GLU 34 2HB GLU 34 8.516 10.296 -2.208
243 HG2 GLU 34 1HG GLU 34 8.059 7.373 -2.921
244 HG3 GLU 34 2HG GLU 34 7.124 8.686 -3.620
245 H GLY 35 H GLY 35 9.394 8.661 1.630
246 HA2 GLY 35 1HA GLY 35 10.379 9.842 3.322
247 HA3 GLY 35 2HA GLY 35 11.287 10.782 2.135
248 H VAL 36 H VAL 36 7.830 10.859 1.768
249 HA VAL 36 HA VAL 36 7.757 13.728 2.320
250 HB VAL 36 HB VAL 36 5.491 11.858 1.561
251 HG11 VAL 36 1HG1 VAL 36 4.410 13.914 0.704
252 HG12 VAL 36 2HG1 VAL 36 4.657 13.985 2.447
253 HG13 VAL 36 3HG1 VAL 36 5.744 14.886 1.362
254 HG21 VAL 36 3HG2 VAL 36 5.830 12.695 -0.751
255 HG22 VAL 36 1HG2 VAL 36 7.299 13.546 -0.214
256 HG23 VAL 36 2HG2 VAL 36 7.217 11.769 -0.177
257 H LYS 37 H LYS 37 6.928 14.748 4.028
258 HA LYS 37 HA LYS 37 5.355 13.365 6.136
259 HB2 LYS 37 1HB LYS 37 7.911 14.963 6.609
260 HB3 LYS 37 2HB LYS 37 6.779 14.506 7.876
261 HG2 LYS 37 1HG LYS 37 8.350 12.532 6.159
262 HG3 LYS 37 2HG LYS 37 8.787 13.063 7.780
263 HD2 LYS 37 1HD LYS 37 6.689 12.111 8.691
264 HD3 LYS 37 2HD LYS 37 6.236 11.543 7.070
265 HE2 LYS 37 1HE LYS 37 8.288 10.169 6.959
266 HE3 LYS 37 2HE LYS 37 8.764 10.733 8.567
267 HZ1 LYS 37 3HZ LYS 37 7.656 8.574 8.678
268 HZ2 LYS 37 1HZ LYS 37 6.307 9.166 7.975
269 HZ3 LYS 37 2HZ LYS 37 6.753 9.685 9.460
Start of MODEL 13
1 H1 GLY 1 1H GLY 1 11.127 -18.648 4.173
2 H2 GLY 1 2H GLY 1 11.283 -17.080 4.618
3 H3 GLY 1 3H GLY 1 12.421 -17.779 3.668
4 HA2 GLY 1 1HA GLY 1 11.037 -16.339 2.337
5 HA3 GLY 1 2HA GLY 1 10.853 -18.038 1.863
6 H SER 2 H SER 2 8.808 -17.237 0.941
7 HA SER 2 HA SER 2 6.561 -17.631 2.810
8 HB2 SER 2 1HB SER 2 7.006 -15.148 2.736
9 HB3 SER 2 2HB SER 2 6.656 -15.189 0.998
10 HG SER 2 HG SER 2 4.815 -14.650 2.307
11 H SER 3 H SER 3 4.556 -18.106 1.709
12 HA SER 3 HA SER 3 4.583 -18.704 -1.168
13 HB2 SER 3 1HB SER 3 4.030 -21.078 -0.876
14 HB3 SER 3 2HB SER 3 5.645 -20.703 -0.261
15 HG SER 3 HG SER 3 4.458 -22.034 1.186
16 H GLY 4 H GLY 4 2.496 -19.463 -1.977
17 HA2 GLY 4 1HA GLY 4 0.084 -19.551 -0.491
18 HA3 GLY 4 2HA GLY 4 0.299 -17.901 -1.080
19 H SER 5 H SER 5 -1.867 -18.895 -2.015
20 HA SER 5 HA SER 5 -1.384 -19.385 -4.883
21 HB2 SER 5 1HB SER 5 -1.550 -21.653 -3.869
22 HB3 SER 5 2HB SER 5 -3.155 -21.235 -3.240
23 HG SER 5 HG SER 5 -3.209 -22.361 -5.273
24 H SER 6 H SER 6 -3.106 -18.811 -6.203
25 HA SER 6 HA SER 6 -4.757 -17.465 -6.946
26 HB2 SER 6 1HB SER 6 -6.291 -18.681 -4.632
27 HB3 SER 6 2HB SER 6 -6.988 -17.943 -6.084
28 HG SER 6 HG SER 6 -5.266 -20.218 -6.017
29 H GLY 7 H GLY 7 -3.027 -16.100 -4.899
30 HA2 GLY 7 1HA GLY 7 -4.678 -14.162 -3.509
31 HA3 GLY 7 2HA GLY 7 -2.935 -14.079 -3.750
32 H ARG 8 H ARG 8 -5.273 -12.134 -4.076
33 HA ARG 8 HA ARG 8 -4.467 -10.991 -6.718
34 HB2 ARG 8 1HB ARG 8 -6.713 -12.315 -6.600
35 HB3 ARG 8 2HB ARG 8 -7.335 -10.903 -5.744
36 HG2 ARG 8 1HG ARG 8 -6.829 -9.488 -7.728
37 HG3 ARG 8 2HG ARG 8 -6.018 -10.852 -8.506
38 HD2 ARG 8 1HD ARG 8 -8.218 -10.608 -9.474
39 HD3 ARG 8 2HD ARG 8 -8.151 -12.104 -8.556
40 HE ARG 8 HE ARG 8 -9.711 -11.285 -7.037
41 HH11 ARG 8 1HH1 ARG 8 -8.783 -8.604 -9.099
42 HH12 ARG 8 2HH1 ARG 8 -10.085 -7.598 -8.526
43 HH21 ARG 8 2HH2 ARG 8 -11.334 -9.946 -6.345
44 HH22 ARG 8 1HH2 ARG 8 -11.484 -8.344 -7.003
45 H ALA 9 H ALA 9 -3.927 -10.361 -3.731
46 HA ALA 9 HA ALA 9 -4.929 -7.641 -3.385
47 HB1 ALA 9 1HB ALA 9 -3.494 -7.664 -1.384
48 HB2 ALA 9 2HB ALA 9 -4.515 -9.112 -1.461
49 HB3 ALA 9 3HB ALA 9 -2.792 -9.216 -1.892
50 H MET 10 H MET 10 -3.499 -5.801 -3.042
51 HA MET 10 HA MET 10 -1.725 -5.409 -5.357
52 HB2 MET 10 1HB MET 10 -3.614 -3.877 -4.387
53 HB3 MET 10 2HB MET 10 -2.433 -3.401 -3.183
54 HG2 MET 10 1HG MET 10 -2.250 -3.105 -6.198
55 HG3 MET 10 2HG MET 10 -2.598 -1.832 -5.032
56 HE1 MET 10 3HE MET 10 -0.899 -1.404 -2.996
57 HE2 MET 10 1HE MET 10 0.089 -2.867 -2.837
58 HE3 MET 10 2HE MET 10 0.856 -1.333 -3.261
59 H LYS 11 H LYS 11 0.528 -5.464 -5.212
60 HA LYS 11 HA LYS 11 1.793 -5.651 -2.509
61 HB2 LYS 11 1HB LYS 11 2.290 -7.393 -4.322
62 HB3 LYS 11 2HB LYS 11 3.147 -6.117 -5.191
63 HG2 LYS 11 1HG LYS 11 4.566 -5.743 -3.136
64 HG3 LYS 11 2HG LYS 11 3.717 -7.082 -2.350
65 HD2 LYS 11 1HD LYS 11 4.579 -8.620 -4.140
66 HD3 LYS 11 2HD LYS 11 5.467 -7.247 -4.850
67 HE2 LYS 11 1HE LYS 11 6.617 -6.882 -2.674
68 HE3 LYS 11 2HE LYS 11 5.739 -8.251 -1.981
69 HZ1 LYS 11 3HZ LYS 11 6.889 -9.701 -3.566
70 HZ2 LYS 11 1HZ LYS 11 7.946 -8.879 -2.617
71 HZ3 LYS 11 2HZ LYS 11 7.721 -8.429 -4.182
72 H CYS 12 H CYS 12 2.924 -3.993 -1.659
73 HA CYS 12 HA CYS 12 2.906 -1.401 -2.664
74 HB2 CYS 12 1HB CYS 12 3.267 -1.911 -0.350
75 HB3 CYS 12 2HB CYS 12 4.716 -2.857 -0.714
76 HA PRO 13 HA PRO 13 5.995 -1.532 -5.840
77 HB2 PRO 13 1HB PRO 13 6.360 1.182 -6.294
78 HB3 PRO 13 2HB PRO 13 4.988 0.197 -6.874
79 HG2 PRO 13 1HG PRO 13 5.088 2.051 -4.508
80 HG3 PRO 13 2HG PRO 13 3.741 1.744 -5.643
81 HD2 PRO 13 1HD PRO 13 3.895 0.645 -3.141
82 HD3 PRO 13 2HD PRO 13 3.038 -0.111 -4.515
83 H TYR 14 H TYR 14 6.738 -0.607 -2.692
84 HA TYR 14 HA TYR 14 9.675 -0.405 -3.311
85 HB2 TYR 14 1HB TYR 14 8.062 0.989 -1.173
86 HB3 TYR 14 2HB TYR 14 9.815 1.017 -1.265
87 HD1 TYR 14 1HD TYR 14 6.684 2.140 -2.895
88 HD2 TYR 14 2HD TYR 14 10.983 2.435 -2.834
89 HE1 TYR 14 1HE TYR 14 6.590 4.074 -4.499
90 HE2 TYR 14 2HE TYR 14 10.880 4.400 -4.363
91 HH TYR 14 HH TYR 14 9.535 5.747 -5.637
92 H CYS 15 H CYS 15 7.242 -1.979 -1.280
93 HA CYS 15 HA CYS 15 9.382 -3.702 -0.169
94 HB2 CYS 15 1HB CYS 15 8.753 -3.448 2.094
95 HB3 CYS 15 2HB CYS 15 9.046 -1.847 1.438
96 H ASP 16 H ASP 16 8.203 -5.383 1.417
97 HA ASP 16 HA ASP 16 6.659 -6.982 -0.491
98 HB2 ASP 16 1HB ASP 16 8.043 -7.668 2.109
99 HB3 ASP 16 2HB ASP 16 7.123 -8.833 1.159
100 H PHE 17 H PHE 17 5.535 -4.820 1.705
101 HA PHE 17 HA PHE 17 3.435 -6.442 2.925
102 HB2 PHE 17 1HB PHE 17 4.024 -3.479 2.895
103 HB3 PHE 17 2HB PHE 17 2.545 -4.130 3.579
104 HD1 PHE 17 2HD PHE 17 6.257 -4.096 3.956
105 HD2 PHE 17 1HD PHE 17 2.494 -5.325 5.671
106 HE1 PHE 17 2HE PHE 17 7.401 -4.612 6.095
107 HE2 PHE 17 1HE PHE 17 3.643 -5.841 7.811
108 HZ PHE 17 HZ PHE 17 6.097 -5.485 8.028
109 H TYR 18 H TYR 18 1.385 -6.722 2.400
110 HA TYR 18 HA TYR 18 0.425 -5.803 -0.218
111 HB2 TYR 18 1HB TYR 18 -0.441 -7.991 1.674
112 HB3 TYR 18 2HB TYR 18 -1.446 -7.479 0.321
113 HD1 TYR 18 1HD TYR 18 -0.760 -7.741 -1.989
114 HD2 TYR 18 2HD TYR 18 1.763 -9.089 1.234
115 HE1 TYR 18 1HE TYR 18 0.679 -8.906 -3.623
116 HE2 TYR 18 2HE TYR 18 3.202 -10.275 -0.382
117 HH TYR 18 HH TYR 18 3.530 -10.860 -2.591
118 H PHE 19 H PHE 19 -1.493 -4.921 -0.666
119 HA PHE 19 HA PHE 19 -3.067 -3.530 1.449
120 HB2 PHE 19 1HB PHE 19 -1.551 -2.335 -0.896
121 HB3 PHE 19 2HB PHE 19 -2.910 -1.504 -0.175
122 HD1 PHE 19 1HD PHE 19 0.576 -2.630 0.420
123 HD2 PHE 19 2HD PHE 19 -2.803 -0.446 1.986
124 HE1 PHE 19 1HE PHE 19 2.010 -1.682 2.211
125 HE2 PHE 19 2HE PHE 19 -1.359 0.524 3.752
126 HZ PHE 19 HZ PHE 19 1.040 -0.124 3.893
127 H MET 20 H MET 20 -4.936 -2.421 0.522
128 HA MET 20 HA MET 20 -6.145 -3.664 -1.900
129 HB2 MET 20 1HB MET 20 -7.119 -4.473 0.276
130 HB3 MET 20 2HB MET 20 -7.645 -2.830 0.628
131 HG2 MET 20 1HG MET 20 -8.451 -4.202 -1.953
132 HG3 MET 20 2HG MET 20 -9.249 -4.625 -0.448
133 HE1 MET 20 3HE MET 20 -11.424 -4.049 -2.050
134 HE2 MET 20 1HE MET 20 -11.769 -2.405 -2.631
135 HE3 MET 20 2HE MET 20 -10.411 -3.322 -3.321
136 H LYS 21 H LYS 21 -7.849 -2.125 -2.818
137 HA LYS 21 HA LYS 21 -6.659 0.461 -3.374
138 HB2 LYS 21 1HB LYS 21 -9.335 -0.693 -4.256
139 HB3 LYS 21 2HB LYS 21 -8.505 0.700 -4.961
140 HG2 LYS 21 1HG LYS 21 -6.613 -0.782 -5.638
141 HG3 LYS 21 2HG LYS 21 -7.511 -2.181 -5.014
142 HD2 LYS 21 1HD LYS 21 -9.394 -1.629 -6.576
143 HD3 LYS 21 2HD LYS 21 -8.401 -0.322 -7.258
144 HE2 LYS 21 1HE LYS 21 -6.644 -2.005 -7.841
145 HE3 LYS 21 2HE LYS 21 -7.679 -3.287 -7.193
146 HZ1 LYS 21 3HZ LYS 21 -7.914 -3.092 -9.605
147 HZ2 LYS 21 1HZ LYS 21 -8.377 -1.532 -9.491
148 HZ3 LYS 21 2HZ LYS 21 -9.333 -2.715 -8.895
149 H ASN 22 H ASN 22 -7.189 0.461 -0.678
150 HA ASN 22 HA ASN 22 -9.733 1.765 -0.072
151 HB2 ASN 22 1HB ASN 22 -8.568 -0.054 1.285
152 HB3 ASN 22 2HB ASN 22 -7.423 1.175 1.814
153 HD21 ASN 22 1HD2 ASN 22 -8.555 3.204 2.806
154 HD22 ASN 22 2HD2 ASN 22 -9.921 2.841 3.870
155 H GLY 23 H GLY 23 -8.783 3.441 -1.791
156 HA2 GLY 23 1HA GLY 23 -8.271 5.654 -2.210
157 HA3 GLY 23 2HA GLY 23 -8.824 5.937 -0.562
158 H SER 24 H SER 24 -7.418 7.116 0.551
159 HA SER 24 HA SER 24 -4.681 7.490 -0.245
160 HB2 SER 24 1HB SER 24 -4.610 9.034 1.694
161 HB3 SER 24 2HB SER 24 -5.955 9.341 0.582
162 HG SER 24 HG SER 24 -6.624 9.368 2.788
163 H ASP 25 H ASP 25 -5.989 5.001 1.708
164 HA ASP 25 HA ASP 25 -4.004 4.907 3.753
165 HB2 ASP 25 1HB ASP 25 -6.259 3.785 3.768
166 HB3 ASP 25 2HB ASP 25 -5.608 2.580 2.647
167 H LEU 26 H LEU 26 -3.963 3.610 0.470
168 HA LEU 26 HA LEU 26 -1.345 2.288 0.831
169 HB2 LEU 26 1HB LEU 26 -2.910 1.328 -0.756
170 HB3 LEU 26 2HB LEU 26 -3.095 2.875 -1.588
171 HG LEU 26 HG LEU 26 -0.742 2.783 -2.344
172 HD11 LEU 26 1HD1 LEU 26 0.568 0.704 -2.108
173 HD12 LEU 26 2HD1 LEU 26 -0.687 0.030 -1.049
174 HD13 LEU 26 3HD1 LEU 26 0.270 1.429 -0.532
175 HD21 LEU 26 3HD2 LEU 26 -2.484 1.888 -3.777
176 HD22 LEU 26 1HD2 LEU 26 -2.375 0.305 -2.981
177 HD23 LEU 26 2HD2 LEU 26 -1.004 0.929 -3.939
178 H GLN 27 H GLN 27 -2.638 5.341 -0.495
179 HA GLN 27 HA GLN 27 -0.264 6.257 -1.749
180 HB2 GLN 27 1HB GLN 27 -2.516 7.890 -0.521
181 HB3 GLN 27 2HB GLN 27 -1.296 8.489 -1.644
182 HG2 GLN 27 1HG GLN 27 -2.074 6.983 -3.406
183 HG3 GLN 27 2HG GLN 27 -3.280 6.276 -2.332
184 HE21 GLN 27 1HE2 GLN 27 -4.118 7.327 -4.757
185 HE22 GLN 27 2HE2 GLN 27 -5.026 8.799 -4.437
186 H ARG 28 H ARG 28 -1.436 6.883 1.602
187 HA ARG 28 HA ARG 28 0.779 8.492 2.420
188 HB2 ARG 28 1HB ARG 28 -0.003 8.203 4.645
189 HB3 ARG 28 2HB ARG 28 -1.410 8.311 3.589
190 HG2 ARG 28 1HG ARG 28 -1.544 5.774 3.653
191 HG3 ARG 28 2HG ARG 28 -0.249 5.790 4.860
192 HD2 ARG 28 1HD ARG 28 -1.707 7.272 6.295
193 HD3 ARG 28 2HD ARG 28 -2.997 7.064 5.109
194 HE ARG 28 HE ARG 28 -3.279 4.791 5.759
195 HH11 ARG 28 2HH1 ARG 28 -0.613 6.116 7.642
196 HH12 ARG 28 1HH1 ARG 28 -0.619 4.736 8.705
197 HH21 ARG 28 1HH2 ARG 28 -3.224 3.189 7.033
198 HH22 ARG 28 2HH2 ARG 28 -2.095 3.073 8.387
199 H HIS 29 H HIS 29 0.510 4.976 2.283
200 HA HIS 29 HA HIS 29 2.982 4.459 3.732
201 HB2 HIS 29 1HB HIS 29 1.174 2.825 3.665
202 HB3 HIS 29 2HB HIS 29 1.251 2.741 1.908
203 HD1 HIS 29 1HD HIS 29 3.307 1.662 4.985
204 HD2 HIS 29 2HD HIS 29 3.061 1.173 0.816
205 HE1 HIS 29 1HE HIS 29 4.914 -0.219 4.416
206 H ILE 30 H ILE 30 2.121 4.821 0.273
207 HA ILE 30 HA ILE 30 4.805 4.228 -0.673
208 HB ILE 30 HB ILE 30 2.360 5.533 -1.925
209 HG12 ILE 30 1HG1 ILE 30 3.758 2.863 -2.451
210 HG13 ILE 30 2HG1 ILE 30 2.338 3.059 -1.422
211 HG21 ILE 30 1HG2 ILE 30 3.605 5.396 -4.116
212 HG22 ILE 30 2HG2 ILE 30 4.271 6.573 -3.002
213 HG23 ILE 30 3HG2 ILE 30 5.069 4.995 -3.189
214 HD11 ILE 30 3HD1 ILE 30 1.115 4.052 -3.378
215 HD12 ILE 30 1HD1 ILE 30 2.480 3.547 -4.411
216 HD13 ILE 30 2HD1 ILE 30 1.546 2.325 -3.547
217 H TRP 31 H TRP 31 3.033 7.302 -0.258
218 HA TRP 31 HA TRP 31 5.112 9.104 -0.825
219 HB2 TRP 31 1HB TRP 31 2.841 9.212 1.165
220 HB3 TRP 31 2HB TRP 31 3.885 10.590 0.856
221 HD1 TRP 31 1HD TRP 31 4.008 9.979 -2.391
222 HE1 TRP 31 1HE TRP 31 2.052 10.684 -3.820
223 HE3 TRP 31 3HE TRP 31 0.464 10.462 1.290
224 HZ2 TRP 31 2HZ TRP 31 -0.742 11.407 -3.451
225 HZ3 TRP 31 3HZ TRP 31 -1.845 11.168 0.709
226 HH2 TRP 31 2HH TRP 31 -2.460 11.640 -1.651
227 H ALA 32 H ALA 32 4.742 7.104 2.064
228 HA ALA 32 HA ALA 32 6.781 8.463 3.605
229 HB1 ALA 32 1HB ALA 32 4.993 7.105 4.643
230 HB2 ALA 32 2HB ALA 32 5.620 5.650 3.837
231 HB3 ALA 32 3HB ALA 32 6.595 6.471 5.072
232 H HIS 33 H HIS 33 6.848 5.619 1.385
233 HA HIS 33 HA HIS 33 9.678 5.066 1.728
234 HB2 HIS 33 1HB HIS 33 7.752 4.449 -0.550
235 HB3 HIS 33 2HB HIS 33 9.414 3.893 -0.465
236 HD1 HIS 33 1HD HIS 33 9.912 2.379 1.960
237 HD2 HIS 33 2HD HIS 33 6.107 2.617 0.201
238 HE1 HIS 33 1HE HIS 33 8.677 0.292 2.706
239 H GLU 34 H GLU 34 7.818 7.198 -0.453
240 HA GLU 34 HA GLU 34 10.143 8.181 -1.893
241 HB2 GLU 34 1HB GLU 34 7.310 9.244 -1.596
242 HB3 GLU 34 2HB GLU 34 8.540 9.979 -2.630
243 HG2 GLU 34 1HG GLU 34 8.791 7.770 -3.810
244 HG3 GLU 34 2HG GLU 34 7.386 7.181 -2.914
245 H GLY 35 H GLY 35 9.255 8.740 1.329
246 HA2 GLY 35 1HA GLY 35 10.203 10.089 2.921
247 HA3 GLY 35 2HA GLY 35 11.318 10.712 1.702
248 H VAL 36 H VAL 36 7.815 11.007 1.331
249 HA VAL 36 HA VAL 36 7.910 13.824 0.838
250 HB VAL 36 HB VAL 36 5.549 12.011 1.452
251 HG11 VAL 36 1HG1 VAL 36 5.585 14.782 0.183
252 HG12 VAL 36 2HG1 VAL 36 4.186 13.687 0.233
253 HG13 VAL 36 3HG1 VAL 36 4.835 14.333 1.736
254 HG21 VAL 36 3HG2 VAL 36 6.714 12.957 -1.206
255 HG22 VAL 36 1HG2 VAL 36 6.825 11.311 -0.554
256 HG23 VAL 36 2HG2 VAL 36 5.251 11.967 -1.001
257 H LYS 37 H LYS 37 7.392 15.585 2.029
258 HA LYS 37 HA LYS 37 7.285 15.288 5.003
259 HB2 LYS 37 1HB LYS 37 8.311 17.629 3.359
260 HB3 LYS 37 2HB LYS 37 8.388 17.452 5.108
261 HG2 LYS 37 1HG LYS 37 9.898 15.783 3.049
262 HG3 LYS 37 2HG LYS 37 10.560 17.042 4.086
263 HD2 LYS 37 1HD LYS 37 10.033 15.676 6.098
264 HD3 LYS 37 2HD LYS 37 9.399 14.387 5.048
265 HE2 LYS 37 1HE LYS 37 11.593 14.205 3.924
266 HE3 LYS 37 2HE LYS 37 12.240 15.485 4.959
267 HZ1 LYS 37 3HZ LYS 37 11.234 12.859 5.925
268 HZ2 LYS 37 1HZ LYS 37 11.835 14.040 6.882
269 HZ3 LYS 37 2HZ LYS 37 12.806 13.283 5.813
Start of MODEL 14
1 H1 GLY 1 1H GLY 1 10.296 -15.146 -3.220
2 H2 GLY 1 2H GLY 1 9.060 -14.337 -3.927
3 H3 GLY 1 3H GLY 1 10.003 -15.335 -4.820
4 HA2 GLY 1 1HA GLY 1 7.895 -16.395 -4.397
5 HA3 GLY 1 2HA GLY 1 9.224 -17.263 -3.608
6 H SER 2 H SER 2 8.324 -18.070 -1.790
7 HA SER 2 HA SER 2 7.310 -18.262 0.210
8 HB2 SER 2 1HB SER 2 8.353 -15.456 0.662
9 HB3 SER 2 2HB SER 2 7.950 -16.655 1.905
10 HG SER 2 HG SER 2 10.197 -16.625 1.433
11 H SER 3 H SER 3 5.455 -17.317 -1.825
12 HA SER 3 HA SER 3 3.237 -16.563 -0.055
13 HB2 SER 3 1HB SER 3 4.229 -14.385 -0.832
14 HB3 SER 3 2HB SER 3 3.872 -14.868 -2.502
15 HG SER 3 HG SER 3 2.209 -13.568 -1.544
16 H GLY 4 H GLY 4 1.170 -16.968 -0.978
17 HA2 GLY 4 1HA GLY 4 0.483 -17.819 -3.533
18 HA3 GLY 4 2HA GLY 4 1.041 -19.280 -2.715
19 H SER 5 H SER 5 -1.379 -19.559 -3.452
20 HA SER 5 HA SER 5 -3.565 -19.901 -2.938
21 HB2 SER 5 1HB SER 5 -2.398 -20.341 -0.176
22 HB3 SER 5 2HB SER 5 -3.943 -20.972 -0.778
23 HG SER 5 HG SER 5 -2.237 -22.508 -0.965
24 H SER 6 H SER 6 -3.185 -17.175 -3.072
25 HA SER 6 HA SER 6 -5.260 -16.129 -1.220
26 HB2 SER 6 1HB SER 6 -2.936 -15.663 -0.318
27 HB3 SER 6 2HB SER 6 -2.665 -14.645 -1.745
28 HG SER 6 HG SER 6 -3.459 -13.481 0.109
29 H GLY 7 H GLY 7 -5.984 -13.924 -1.889
30 HA2 GLY 7 1HA GLY 7 -6.896 -14.013 -4.651
31 HA3 GLY 7 2HA GLY 7 -7.313 -12.816 -3.433
32 H ARG 8 H ARG 8 -7.138 -11.758 -5.706
33 HA ARG 8 HA ARG 8 -4.505 -10.957 -6.642
34 HB2 ARG 8 1HB ARG 8 -5.704 -9.751 -8.379
35 HB3 ARG 8 2HB ARG 8 -6.223 -11.424 -8.231
36 HG2 ARG 8 1HG ARG 8 -8.284 -10.732 -7.060
37 HG3 ARG 8 2HG ARG 8 -7.770 -9.036 -7.115
38 HD2 ARG 8 1HD ARG 8 -7.748 -9.118 -9.584
39 HD3 ARG 8 2HD ARG 8 -8.265 -10.817 -9.532
40 HE ARG 8 HE ARG 8 -10.131 -9.287 -8.031
41 HH11 ARG 8 2HH1 ARG 8 -9.212 -9.611 -11.396
42 HH12 ARG 8 1HH1 ARG 8 -10.787 -9.130 -11.968
43 HH21 ARG 8 2HH2 ARG 8 -12.116 -8.685 -8.826
44 HH22 ARG 8 1HH2 ARG 8 -12.384 -8.621 -10.543
45 H ALA 9 H ALA 9 -4.443 -10.192 -4.115
46 HA ALA 9 HA ALA 9 -5.212 -7.473 -3.577
47 HB1 ALA 9 1HB ALA 9 -3.055 -9.211 -2.302
48 HB2 ALA 9 2HB ALA 9 -3.728 -7.715 -1.624
49 HB3 ALA 9 3HB ALA 9 -4.767 -9.141 -1.814
50 H MET 10 H MET 10 -3.868 -5.685 -3.179
51 HA MET 10 HA MET 10 -2.102 -5.028 -5.418
52 HB2 MET 10 1HB MET 10 -3.967 -3.632 -4.255
53 HB3 MET 10 2HB MET 10 -2.816 -3.368 -2.966
54 HG2 MET 10 1HG MET 10 -2.540 -2.587 -5.879
55 HG3 MET 10 2HG MET 10 -2.994 -1.526 -4.556
56 HE1 MET 10 3HE MET 10 0.508 -1.415 -2.548
57 HE2 MET 10 1HE MET 10 -1.253 -1.420 -2.319
58 HE3 MET 10 2HE MET 10 -0.351 -2.944 -2.451
59 H LYS 11 H LYS 11 0.159 -4.878 -5.297
60 HA LYS 11 HA LYS 11 1.485 -5.275 -2.635
61 HB2 LYS 11 1HB LYS 11 1.914 -7.031 -4.452
62 HB3 LYS 11 2HB LYS 11 2.776 -5.770 -5.339
63 HG2 LYS 11 1HG LYS 11 4.228 -5.412 -3.291
64 HG3 LYS 11 2HG LYS 11 3.385 -6.758 -2.514
65 HD2 LYS 11 1HD LYS 11 4.215 -8.263 -4.358
66 HD3 LYS 11 2HD LYS 11 5.112 -6.877 -5.030
67 HE2 LYS 11 1HE LYS 11 6.269 -6.579 -2.847
68 HE3 LYS 11 2HE LYS 11 5.389 -7.966 -2.193
69 HZ1 LYS 11 3HZ LYS 11 7.355 -8.083 -4.411
70 HZ2 LYS 11 1HZ LYS 11 6.522 -9.371 -3.828
71 HZ3 LYS 11 2HZ LYS 11 7.593 -8.583 -2.864
72 H CYS 12 H CYS 12 2.728 -3.700 -1.837
73 HA CYS 12 HA CYS 12 2.769 -1.072 -2.790
74 HB2 CYS 12 1HB CYS 12 3.144 -1.694 -0.501
75 HB3 CYS 12 2HB CYS 12 4.563 -2.655 -0.928
76 HA PRO 13 HA PRO 13 5.844 -1.273 -5.992
77 HB2 PRO 13 1HB PRO 13 6.266 1.424 -6.441
78 HB3 PRO 13 2HB PRO 13 4.856 0.484 -7.003
79 HG2 PRO 13 1HG PRO 13 5.052 2.318 -4.627
80 HG3 PRO 13 2HG PRO 13 3.682 2.071 -5.747
81 HD2 PRO 13 1HD PRO 13 3.820 0.939 -3.258
82 HD3 PRO 13 2HD PRO 13 2.923 0.231 -4.631
83 H TYR 14 H TYR 14 6.601 -0.393 -2.830
84 HA TYR 14 HA TYR 14 9.542 -0.219 -3.448
85 HB2 TYR 14 1HB TYR 14 7.939 1.127 -1.273
86 HB3 TYR 14 2HB TYR 14 9.692 1.106 -1.326
87 HD1 TYR 14 1HD TYR 14 6.645 2.345 -3.034
88 HD2 TYR 14 2HD TYR 14 10.934 2.600 -2.738
89 HE1 TYR 14 1HE TYR 14 6.643 4.349 -4.553
90 HE2 TYR 14 2HE TYR 14 10.921 4.643 -4.166
91 HH TYR 14 HH TYR 14 9.653 6.062 -5.441
92 H CYS 15 H CYS 15 7.092 -1.776 -1.398
93 HA CYS 15 HA CYS 15 9.219 -3.549 -0.323
94 HB2 CYS 15 1HB CYS 15 8.604 -3.294 1.934
95 HB3 CYS 15 2HB CYS 15 8.880 -1.688 1.282
96 H ASP 16 H ASP 16 8.040 -5.223 1.244
97 HA ASP 16 HA ASP 16 6.399 -6.786 -0.628
98 HB2 ASP 16 1HB ASP 16 7.911 -7.545 1.879
99 HB3 ASP 16 2HB ASP 16 6.938 -8.678 0.942
100 H PHE 17 H PHE 17 5.363 -4.583 1.473
101 HA PHE 17 HA PHE 17 3.275 -6.141 2.820
102 HB2 PHE 17 1HB PHE 17 3.903 -3.193 2.669
103 HB3 PHE 17 2HB PHE 17 2.395 -3.779 3.339
104 HD1 PHE 17 1HD PHE 17 6.116 -3.998 3.775
105 HD2 PHE 17 2HD PHE 17 2.237 -4.688 5.530
106 HE1 PHE 17 1HE PHE 17 7.186 -4.432 5.969
107 HE2 PHE 17 2HE PHE 17 3.312 -5.124 7.725
108 HZ PHE 17 HZ PHE 17 5.788 -4.997 7.950
109 H TYR 18 H TYR 18 1.202 -6.359 2.358
110 HA TYR 18 HA TYR 18 0.229 -5.544 -0.316
111 HB2 TYR 18 1HB TYR 18 -0.553 -7.796 1.557
112 HB3 TYR 18 2HB TYR 18 -1.484 -7.367 0.127
113 HD1 TYR 18 1HD TYR 18 1.771 -8.716 1.298
114 HD2 TYR 18 2HD TYR 18 -0.685 -7.756 -2.115
115 HE1 TYR 18 1HE TYR 18 3.363 -9.892 -0.173
116 HE2 TYR 18 2HE TYR 18 0.923 -8.885 -3.602
117 HH TYR 18 HH TYR 18 3.839 -10.586 -2.316
118 H PHE 19 H PHE 19 -1.848 -4.870 -0.694
119 HA PHE 19 HA PHE 19 -3.500 -3.890 1.592
120 HB2 PHE 19 1HB PHE 19 -2.781 -2.361 -0.932
121 HB3 PHE 19 2HB PHE 19 -4.137 -1.950 0.090
122 HD1 PHE 19 1HD PHE 19 -0.388 -2.373 0.212
123 HD2 PHE 19 2HD PHE 19 -3.878 -0.462 1.884
124 HE1 PHE 19 1HE PHE 19 1.067 -0.950 1.628
125 HE2 PHE 19 2HE PHE 19 -2.414 0.975 3.280
126 HZ PHE 19 HZ PHE 19 0.055 0.720 3.168
127 H MET 20 H MET 20 -5.640 -4.273 1.409
128 HA MET 20 HA MET 20 -6.639 -5.736 -0.987
129 HB2 MET 20 1HB MET 20 -8.520 -6.414 0.547
130 HB3 MET 20 2HB MET 20 -6.928 -7.061 0.886
131 HG2 MET 20 1HG MET 20 -8.142 -6.462 2.926
132 HG3 MET 20 2HG MET 20 -6.606 -5.639 2.769
133 HE1 MET 20 3HE MET 20 -10.528 -5.264 2.925
134 HE2 MET 20 1HE MET 20 -10.763 -3.568 2.437
135 HE3 MET 20 2HE MET 20 -10.226 -4.765 1.245
136 H LYS 21 H LYS 21 -6.554 -2.611 -0.092
137 HA LYS 21 HA LYS 21 -9.082 -1.875 -1.469
138 HB2 LYS 21 1HB LYS 21 -9.531 -2.078 0.974
139 HB3 LYS 21 2HB LYS 21 -8.222 -0.954 1.316
140 HG2 LYS 21 1HG LYS 21 -10.324 0.152 1.555
141 HG3 LYS 21 2HG LYS 21 -9.501 0.840 0.163
142 HD2 LYS 21 1HD LYS 21 -10.968 -0.511 -1.364
143 HD3 LYS 21 2HD LYS 21 -11.677 -1.302 0.049
144 HE2 LYS 21 1HE LYS 21 -13.251 0.335 -0.514
145 HE3 LYS 21 2HE LYS 21 -12.381 0.989 0.874
146 HZ1 LYS 21 3HZ LYS 21 -12.006 1.751 -1.980
147 HZ2 LYS 21 1HZ LYS 21 -10.998 2.268 -0.810
148 HZ3 LYS 21 2HZ LYS 21 -12.579 2.703 -0.789
149 H ASN 22 H ASN 22 -9.006 0.038 -2.548
150 HA ASN 22 HA ASN 22 -6.454 1.565 -2.614
151 HB2 ASN 22 1HB ASN 22 -7.261 2.551 -4.668
152 HB3 ASN 22 2HB ASN 22 -7.316 0.799 -4.777
153 HD21 ASN 22 1HD2 ASN 22 -9.372 -0.230 -5.042
154 HD22 ASN 22 2HD2 ASN 22 -10.832 0.712 -5.283
155 H GLY 23 H GLY 23 -6.382 3.807 -2.279
156 HA2 GLY 23 1HA GLY 23 -8.339 5.647 -1.626
157 HA3 GLY 23 2HA GLY 23 -8.106 4.731 -0.133
158 H SER 24 H SER 24 -7.362 6.768 0.808
159 HA SER 24 HA SER 24 -4.872 7.981 -0.092
160 HB2 SER 24 1HB SER 24 -5.074 9.333 1.935
161 HB3 SER 24 2HB SER 24 -6.588 9.300 1.014
162 HG SER 24 HG SER 24 -7.029 8.965 3.207
163 H ASP 25 H ASP 25 -5.646 5.365 2.138
164 HA ASP 25 HA ASP 25 -3.385 5.543 3.823
165 HB2 ASP 25 1HB ASP 25 -4.961 3.069 3.032
166 HB3 ASP 25 2HB ASP 25 -3.889 3.208 4.427
167 H LEU 26 H LEU 26 -3.700 3.707 0.770
168 HA LEU 26 HA LEU 26 -1.004 2.669 0.809
169 HB2 LEU 26 1HB LEU 26 -2.740 1.652 -0.560
170 HB3 LEU 26 2HB LEU 26 -2.992 3.162 -1.443
171 HG LEU 26 HG LEU 26 -0.727 3.010 -2.410
172 HD11 LEU 26 1HD1 LEU 26 0.480 1.772 -0.665
173 HD12 LEU 26 2HD1 LEU 26 0.578 0.906 -2.195
174 HD13 LEU 26 3HD1 LEU 26 -0.553 0.357 -0.935
175 HD21 LEU 26 3HD2 LEU 26 -1.126 1.073 -3.872
176 HD22 LEU 26 1HD2 LEU 26 -2.596 2.030 -3.626
177 HD23 LEU 26 2HD2 LEU 26 -2.392 0.492 -2.763
178 H GLN 27 H GLN 27 -2.440 5.713 -0.405
179 HA GLN 27 HA GLN 27 -0.090 6.582 -1.831
180 HB2 GLN 27 1HB GLN 27 -2.466 8.134 -0.730
181 HB3 GLN 27 2HB GLN 27 -1.179 8.834 -1.717
182 HG2 GLN 27 1HG GLN 27 -1.672 7.338 -3.566
183 HG3 GLN 27 2HG GLN 27 -2.885 6.476 -2.622
184 HE21 GLN 27 1HE2 GLN 27 -4.981 7.309 -2.474
185 HE22 GLN 27 2HE2 GLN 27 -5.457 8.812 -3.276
186 H ARG 28 H ARG 28 -1.233 7.276 1.513
187 HA ARG 28 HA ARG 28 1.092 8.793 2.320
188 HB2 ARG 28 1HB ARG 28 -0.663 6.992 4.048
189 HB3 ARG 28 2HB ARG 28 0.497 8.197 4.623
190 HG2 ARG 28 1HG ARG 28 -0.863 9.909 3.246
191 HG3 ARG 28 2HG ARG 28 -2.107 8.669 3.163
192 HD2 ARG 28 1HD ARG 28 -1.003 10.045 5.629
193 HD3 ARG 28 2HD ARG 28 -2.648 10.134 5.010
194 HE ARG 28 HE ARG 28 -1.495 8.099 6.736
195 HH11 ARG 28 2HH1 ARG 28 -4.158 8.515 4.438
196 HH12 ARG 28 1HH1 ARG 28 -4.925 7.048 5.042
197 HH21 ARG 28 2HH2 ARG 28 -2.658 6.288 7.390
198 HH22 ARG 28 1HH2 ARG 28 -4.150 5.913 6.528
199 H HIS 29 H HIS 29 0.456 5.304 2.466
200 HA HIS 29 HA HIS 29 2.927 4.539 3.670
201 HB2 HIS 29 1HB HIS 29 1.010 3.043 3.479
202 HB3 HIS 29 2HB HIS 29 1.148 3.022 1.722
203 HD1 HIS 29 1HD HIS 29 2.820 1.534 4.825
204 HD2 HIS 29 2HD HIS 29 3.099 1.540 0.630
205 HE1 HIS 29 1HE HIS 29 4.431 -0.339 4.239
206 H ILE 30 H ILE 30 2.185 5.087 0.204
207 HA ILE 30 HA ILE 30 4.857 4.395 -0.703
208 HB ILE 30 HB ILE 30 2.480 5.802 -1.958
209 HG12 ILE 30 1HG1 ILE 30 3.845 3.149 -2.624
210 HG13 ILE 30 2HG1 ILE 30 2.484 3.278 -1.512
211 HG21 ILE 30 1HG2 ILE 30 4.410 6.839 -2.985
212 HG22 ILE 30 2HG2 ILE 30 5.212 5.264 -3.164
213 HG23 ILE 30 3HG2 ILE 30 3.778 5.668 -4.135
214 HD11 ILE 30 3HD1 ILE 30 2.452 3.953 -4.471
215 HD12 ILE 30 1HD1 ILE 30 1.584 2.660 -3.635
216 HD13 ILE 30 2HD1 ILE 30 1.143 4.364 -3.332
217 H TRP 31 H TRP 31 3.221 7.557 -0.260
218 HA TRP 31 HA TRP 31 5.397 9.244 -0.799
219 HB2 TRP 31 1HB TRP 31 3.130 9.499 1.194
220 HB3 TRP 31 2HB TRP 31 4.244 10.806 0.844
221 HD1 TRP 31 1HD TRP 31 4.357 10.221 -2.361
222 HE1 TRP 31 1HE TRP 31 2.427 10.951 -3.817
223 HE3 TRP 31 3HE TRP 31 0.782 10.783 1.277
224 HZ2 TRP 31 2HZ TRP 31 -0.362 11.712 -3.483
225 HZ3 TRP 31 3HZ TRP 31 -1.510 11.520 0.668
226 HH2 TRP 31 2HH TRP 31 -2.094 11.986 -1.703
227 H ALA 32 H ALA 32 4.828 7.328 2.113
228 HA ALA 32 HA ALA 32 6.918 8.485 3.725
229 HB1 ALA 32 1HB ALA 32 6.575 6.465 5.115
230 HB2 ALA 32 2HB ALA 32 5.029 7.206 4.657
231 HB3 ALA 32 3HB ALA 32 5.595 5.740 3.825
232 H HIS 33 H HIS 33 6.936 5.750 1.376
233 HA HIS 33 HA HIS 33 9.720 5.033 1.843
234 HB2 HIS 33 1HB HIS 33 7.879 4.551 -0.535
235 HB3 HIS 33 2HB HIS 33 9.507 3.915 -0.375
236 HD1 HIS 33 1HD HIS 33 9.807 2.358 2.061
237 HD2 HIS 33 2HD HIS 33 6.113 2.784 0.110
238 HE1 HIS 33 1HE HIS 33 8.431 0.338 2.742
239 H GLU 34 H GLU 34 8.058 7.351 -0.292
240 HA GLU 34 HA GLU 34 10.506 8.322 -1.540
241 HB2 GLU 34 1HB GLU 34 7.729 9.552 -1.352
242 HB3 GLU 34 2HB GLU 34 9.066 10.194 -2.310
243 HG2 GLU 34 1HG GLU 34 9.185 8.002 -3.535
244 HG3 GLU 34 2HG GLU 34 7.707 7.502 -2.706
245 H GLY 35 H GLY 35 9.679 8.528 1.655
246 HA2 GLY 35 1HA GLY 35 10.799 9.599 3.345
247 HA3 GLY 35 2HA GLY 35 11.677 10.571 2.163
248 H VAL 36 H VAL 36 8.240 10.777 1.835
249 HA VAL 36 HA VAL 36 8.243 13.581 2.704
250 HB VAL 36 HB VAL 36 5.957 11.901 1.630
251 HG11 VAL 36 1HG1 VAL 36 4.972 14.089 1.010
252 HG12 VAL 36 2HG1 VAL 36 5.148 13.922 2.754
253 HG13 VAL 36 3HG1 VAL 36 6.306 14.920 1.840
254 HG21 VAL 36 3HG2 VAL 36 7.745 11.983 -0.049
255 HG22 VAL 36 1HG2 VAL 36 6.406 13.020 -0.541
256 HG23 VAL 36 2HG2 VAL 36 7.877 13.746 0.149
257 H LYS 37 H LYS 37 7.301 14.417 4.480
258 HA LYS 37 HA LYS 37 5.764 12.734 6.396
259 HB2 LYS 37 1HB LYS 37 8.186 14.460 7.069
260 HB3 LYS 37 2HB LYS 37 7.093 13.771 8.260
261 HG2 LYS 37 1HG LYS 37 8.823 12.141 6.342
262 HG3 LYS 37 2HG LYS 37 9.217 12.519 8.017
263 HD2 LYS 37 1HD LYS 37 7.204 11.303 8.795
264 HD3 LYS 37 2HD LYS 37 6.805 10.880 7.117
265 HE2 LYS 37 1HE LYS 37 8.959 9.698 6.881
266 HE3 LYS 37 2HE LYS 37 9.400 10.140 8.536
267 HZ1 LYS 37 3HZ LYS 37 7.080 8.433 7.801
268 HZ2 LYS 37 1HZ LYS 37 7.504 8.837 9.327
269 HZ3 LYS 37 2HZ LYS 37 8.486 7.892 8.433
Start of MODEL 15
1 H1 GLY 1 1H GLY 1 7.051 -20.228 -8.425
2 H2 GLY 1 2H GLY 1 7.192 -19.049 -7.299
3 H3 GLY 1 3H GLY 1 8.336 -20.216 -7.408
4 HA2 GLY 1 1HA GLY 1 9.162 -18.162 -8.354
5 HA3 GLY 1 2HA GLY 1 9.026 -19.439 -9.578
6 H SER 2 H SER 2 8.297 -18.577 -11.459
7 HA SER 2 HA SER 2 6.783 -16.165 -11.719
8 HB2 SER 2 1HB SER 2 6.561 -16.882 -14.091
9 HB3 SER 2 2HB SER 2 8.223 -16.945 -13.482
10 HG SER 2 HG SER 2 7.645 -18.841 -14.663
11 H SER 3 H SER 3 5.720 -19.337 -10.944
12 HA SER 3 HA SER 3 2.961 -19.236 -11.720
13 HB2 SER 3 1HB SER 3 2.800 -21.017 -9.925
14 HB3 SER 3 2HB SER 3 4.003 -21.323 -11.188
15 HG SER 3 HG SER 3 4.794 -21.700 -9.035
16 H GLY 4 H GLY 4 4.660 -17.483 -9.236
17 HA2 GLY 4 1HA GLY 4 2.575 -17.239 -7.277
18 HA3 GLY 4 2HA GLY 4 3.974 -16.186 -7.455
19 H SER 5 H SER 5 1.303 -15.412 -6.737
20 HA SER 5 HA SER 5 0.804 -13.289 -8.724
21 HB2 SER 5 1HB SER 5 -0.618 -15.149 -9.494
22 HB3 SER 5 2HB SER 5 -1.354 -15.268 -7.885
23 HG SER 5 HG SER 5 -2.541 -14.001 -9.492
24 H SER 6 H SER 6 -0.339 -11.523 -7.911
25 HA SER 6 HA SER 6 -0.439 -11.127 -4.999
26 HB2 SER 6 1HB SER 6 -1.196 -8.843 -5.669
27 HB3 SER 6 2HB SER 6 0.371 -9.311 -6.347
28 HG SER 6 HG SER 6 -1.058 -8.338 -7.903
29 H GLY 7 H GLY 7 -2.597 -12.364 -7.370
30 HA2 GLY 7 1HA GLY 7 -4.808 -13.020 -7.261
31 HA3 GLY 7 2HA GLY 7 -4.685 -12.867 -5.509
32 H ARG 8 H ARG 8 -6.274 -11.638 -4.751
33 HA ARG 8 HA ARG 8 -7.515 -9.461 -6.326
34 HB2 ARG 8 1HB ARG 8 -8.195 -10.626 -3.597
35 HB3 ARG 8 2HB ARG 8 -9.133 -9.384 -4.437
36 HG2 ARG 8 1HG ARG 8 -9.533 -10.935 -6.328
37 HG3 ARG 8 2HG ARG 8 -8.669 -12.217 -5.470
38 HD2 ARG 8 1HD ARG 8 -11.172 -10.795 -4.463
39 HD3 ARG 8 2HD ARG 8 -11.165 -12.360 -5.262
40 HE ARG 8 HE ARG 8 -10.397 -11.763 -2.497
41 HH11 ARG 8 2HH1 ARG 8 -10.142 -14.209 -4.999
42 HH12 ARG 8 1HH1 ARG 8 -9.799 -15.471 -3.848
43 HH21 ARG 8 2HH2 ARG 8 -9.949 -13.419 -1.096
44 HH22 ARG 8 1HH2 ARG 8 -9.696 -15.029 -1.701
45 H ALA 9 H ALA 9 -4.854 -9.528 -4.368
46 HA ALA 9 HA ALA 9 -5.351 -6.865 -3.132
47 HB1 ALA 9 1HB ALA 9 -3.284 -9.005 -2.526
48 HB2 ALA 9 2HB ALA 9 -3.588 -7.521 -1.586
49 HB3 ALA 9 3HB ALA 9 -4.833 -8.785 -1.681
50 H MET 10 H MET 10 -3.304 -5.577 -2.814
51 HA MET 10 HA MET 10 -1.852 -5.202 -5.410
52 HB2 MET 10 1HB MET 10 -3.684 -3.572 -4.539
53 HB3 MET 10 2HB MET 10 -2.529 -3.104 -3.308
54 HG2 MET 10 1HG MET 10 -2.264 -2.843 -6.324
55 HG3 MET 10 2HG MET 10 -2.589 -1.555 -5.172
56 HE1 MET 10 3HE MET 10 0.843 -1.146 -3.351
57 HE2 MET 10 1HE MET 10 -0.915 -1.200 -3.095
58 HE3 MET 10 2HE MET 10 0.057 -2.669 -2.930
59 H LYS 11 H LYS 11 0.419 -5.193 -5.284
60 HA LYS 11 HA LYS 11 1.684 -5.407 -2.580
61 HB2 LYS 11 1HB LYS 11 2.111 -7.196 -4.354
62 HB3 LYS 11 2HB LYS 11 3.005 -5.970 -5.258
63 HG2 LYS 11 1HG LYS 11 4.455 -5.607 -3.222
64 HG3 LYS 11 2HG LYS 11 3.568 -6.902 -2.406
65 HD2 LYS 11 1HD LYS 11 4.351 -8.494 -4.191
66 HD3 LYS 11 2HD LYS 11 5.288 -7.164 -4.918
67 HE2 LYS 11 1HE LYS 11 6.477 -6.834 -2.763
68 HE3 LYS 11 2HE LYS 11 5.540 -8.150 -2.040
69 HZ1 LYS 11 3HZ LYS 11 6.600 -9.681 -3.600
70 HZ2 LYS 11 1HZ LYS 11 7.719 -8.881 -2.702
71 HZ3 LYS 11 2HZ LYS 11 7.473 -8.464 -4.271
72 H CYS 12 H CYS 12 2.871 -3.785 -1.756
73 HA CYS 12 HA CYS 12 2.910 -1.198 -2.781
74 HB2 CYS 12 1HB CYS 12 3.212 -1.704 -0.459
75 HB3 CYS 12 2HB CYS 12 4.635 -2.697 -0.789
76 HA PRO 13 HA PRO 13 6.087 -1.378 -5.857
77 HB2 PRO 13 1HB PRO 13 6.515 1.316 -6.325
78 HB3 PRO 13 2HB PRO 13 5.123 0.364 -6.909
79 HG2 PRO 13 1HG PRO 13 5.252 2.236 -4.561
80 HG3 PRO 13 2HG PRO 13 3.907 1.952 -5.703
81 HD2 PRO 13 1HD PRO 13 4.027 0.875 -3.186
82 HD3 PRO 13 2HD PRO 13 3.134 0.145 -4.552
83 H TYR 14 H TYR 14 6.780 -0.474 -2.691
84 HA TYR 14 HA TYR 14 9.733 -0.308 -3.251
85 HB2 TYR 14 1HB TYR 14 8.092 1.067 -1.123
86 HB3 TYR 14 2HB TYR 14 9.846 1.048 -1.149
87 HD1 TYR 14 1HD TYR 14 6.821 2.253 -2.916
88 HD2 TYR 14 2HD TYR 14 11.106 2.528 -2.566
89 HE1 TYR 14 1HE TYR 14 6.828 4.229 -4.462
90 HE2 TYR 14 2HE TYR 14 11.099 4.545 -4.038
91 HH TYR 14 HH TYR 14 8.096 5.801 -5.532
92 H CYS 15 H CYS 15 7.242 -1.868 -1.273
93 HA CYS 15 HA CYS 15 9.340 -3.633 -0.139
94 HB2 CYS 15 1HB CYS 15 8.634 -3.404 2.108
95 HB3 CYS 15 2HB CYS 15 8.982 -1.802 1.479
96 H ASP 16 H ASP 16 8.196 -5.373 1.323
97 HA ASP 16 HA ASP 16 6.620 -6.891 -0.612
98 HB2 ASP 16 1HB ASP 16 8.001 -7.647 1.970
99 HB3 ASP 16 2HB ASP 16 7.038 -8.783 1.029
100 H PHE 17 H PHE 17 5.521 -4.773 1.638
101 HA PHE 17 HA PHE 17 3.370 -6.411 2.763
102 HB2 PHE 17 1HB PHE 17 4.042 -3.471 2.971
103 HB3 PHE 17 2HB PHE 17 2.598 -4.178 3.674
104 HD1 PHE 17 1HD PHE 17 2.689 -5.713 5.578
105 HD2 PHE 17 2HD PHE 17 6.295 -4.033 3.915
106 HE1 PHE 17 1HE PHE 17 3.957 -6.436 7.588
107 HE2 PHE 17 2HE PHE 17 7.559 -4.755 5.925
108 HZ PHE 17 HZ PHE 17 6.392 -5.959 7.765
109 H TYR 18 H TYR 18 1.245 -6.378 2.354
110 HA TYR 18 HA TYR 18 0.392 -5.400 -0.290
111 HB2 TYR 18 1HB TYR 18 -0.619 -7.569 1.556
112 HB3 TYR 18 2HB TYR 18 -1.556 -7.001 0.182
113 HD1 TYR 18 1HD TYR 18 1.671 -8.613 1.139
114 HD2 TYR 18 2HD TYR 18 -0.979 -7.503 -2.078
115 HE1 TYR 18 1HE TYR 18 3.062 -9.895 -0.449
116 HE2 TYR 18 2HE TYR 18 0.419 -8.755 -3.676
117 HH TYR 18 HH TYR 18 2.246 -10.161 -3.944
118 H PHE 19 H PHE 19 -1.522 -4.475 -0.738
119 HA PHE 19 HA PHE 19 -3.140 -3.217 1.429
120 HB2 PHE 19 1HB PHE 19 -1.928 -1.911 -1.024
121 HB3 PHE 19 2HB PHE 19 -3.383 -1.276 -0.278
122 HD1 PHE 19 1HD PHE 19 0.219 -2.046 0.401
123 HD2 PHE 19 2HD PHE 19 -3.335 0.018 1.720
124 HE1 PHE 19 1HE PHE 19 1.529 -0.915 2.178
125 HE2 PHE 19 2HE PHE 19 -2.009 1.170 3.475
126 HZ PHE 19 HZ PHE 19 0.412 0.680 3.727
127 H MET 20 H MET 20 -5.288 -2.591 0.732
128 HA MET 20 HA MET 20 -6.470 -4.059 -1.540
129 HB2 MET 20 1HB MET 20 -6.373 -5.218 1.040
130 HB3 MET 20 2HB MET 20 -7.982 -4.522 0.956
131 HG2 MET 20 1HG MET 20 -6.739 -6.482 -1.015
132 HG3 MET 20 2HG MET 20 -7.916 -6.855 0.239
133 HE1 MET 20 3HE MET 20 -9.841 -7.942 -1.006
134 HE2 MET 20 1HE MET 20 -10.249 -7.531 -2.688
135 HE3 MET 20 2HE MET 20 -8.609 -8.093 -2.281
136 H LYS 21 H LYS 21 -8.703 -3.474 -1.895
137 HA LYS 21 HA LYS 21 -10.290 -1.905 -2.376
138 HB2 LYS 21 1HB LYS 21 -10.251 -1.567 0.639
139 HB3 LYS 21 2HB LYS 21 -11.577 -1.134 -0.439
140 HG2 LYS 21 1HG LYS 21 -10.531 -3.958 0.059
141 HG3 LYS 21 2HG LYS 21 -11.984 -3.240 0.742
142 HD2 LYS 21 1HD LYS 21 -12.947 -2.996 -1.544
143 HD3 LYS 21 2HD LYS 21 -11.508 -3.795 -2.220
144 HE2 LYS 21 1HE LYS 21 -11.960 -5.803 -0.855
145 HE3 LYS 21 2HE LYS 21 -13.379 -5.019 -0.150
146 HZ1 LYS 21 3HZ LYS 21 -14.366 -4.936 -2.375
147 HZ2 LYS 21 1HZ LYS 21 -14.001 -6.477 -1.988
148 HZ3 LYS 21 2HZ LYS 21 -13.056 -5.656 -3.036
149 H ASN 22 H ASN 22 -9.871 0.411 0.094
150 HA ASN 22 HA ASN 22 -9.628 2.430 -1.955
151 HB2 ASN 22 1HB ASN 22 -11.073 2.560 0.081
152 HB3 ASN 22 2HB ASN 22 -9.625 2.740 1.075
153 HD21 ASN 22 1HD2 ASN 22 -11.485 4.681 1.304
154 HD22 ASN 22 2HD2 ASN 22 -10.963 6.129 0.455
155 H GLY 23 H GLY 23 -7.912 3.474 -2.708
156 HA2 GLY 23 1HA GLY 23 -5.199 2.829 -1.904
157 HA3 GLY 23 2HA GLY 23 -5.702 3.942 -3.175
158 H SER 24 H SER 24 -7.290 4.991 -0.396
159 HA SER 24 HA SER 24 -5.771 7.366 -0.094
160 HB2 SER 24 1HB SER 24 -7.136 7.708 1.939
161 HB3 SER 24 2HB SER 24 -8.102 7.229 0.534
162 HG SER 24 HG SER 24 -8.663 6.074 2.465
163 H ASP 25 H ASP 25 -5.600 4.335 1.787
164 HA ASP 25 HA ASP 25 -3.496 5.365 3.565
165 HB2 ASP 25 1HB ASP 25 -4.611 2.571 3.161
166 HB3 ASP 25 2HB ASP 25 -3.451 3.034 4.407
167 H LEU 26 H LEU 26 -3.581 3.401 0.621
168 HA LEU 26 HA LEU 26 -0.858 2.551 0.645
169 HB2 LEU 26 1HB LEU 26 -2.553 1.540 -0.802
170 HB3 LEU 26 2HB LEU 26 -2.804 3.077 -1.637
171 HG LEU 26 HG LEU 26 -0.491 2.998 -2.522
172 HD11 LEU 26 1HD1 LEU 26 -0.389 0.234 -1.251
173 HD12 LEU 26 2HD1 LEU 26 0.608 1.625 -0.782
174 HD13 LEU 26 3HD1 LEU 26 0.813 0.908 -2.374
175 HD21 LEU 26 3HD2 LEU 26 -0.866 1.139 -4.106
176 HD22 LEU 26 1HD2 LEU 26 -2.296 2.158 -3.877
177 HD23 LEU 26 2HD2 LEU 26 -2.217 0.571 -3.089
178 H GLN 27 H GLN 27 -2.383 5.513 -0.708
179 HA GLN 27 HA GLN 27 -0.061 6.587 -1.947
180 HB2 GLN 27 1HB GLN 27 -2.554 7.845 -0.755
181 HB3 GLN 27 2HB GLN 27 -1.284 8.823 -1.505
182 HG2 GLN 27 1HG GLN 27 -1.521 7.760 -3.623
183 HG3 GLN 27 2HG GLN 27 -2.548 6.483 -2.971
184 HE21 GLN 27 1HE2 GLN 27 -4.708 7.055 -2.213
185 HE22 GLN 27 2HE2 GLN 27 -5.528 8.451 -2.933
186 H ARG 28 H ARG 28 -1.224 7.088 1.413
187 HA ARG 28 HA ARG 28 1.011 8.739 2.224
188 HB2 ARG 28 1HB ARG 28 -0.703 6.959 4.006
189 HB3 ARG 28 2HB ARG 28 0.329 8.307 4.508
190 HG2 ARG 28 1HG ARG 28 -1.120 9.767 2.931
191 HG3 ARG 28 2HG ARG 28 -2.247 8.415 2.918
192 HD2 ARG 28 1HD ARG 28 -1.372 10.118 5.273
193 HD3 ARG 28 2HD ARG 28 -2.993 9.987 4.597
194 HE ARG 28 HE ARG 28 -1.749 8.273 6.577
195 HH11 ARG 28 2HH1 ARG 28 -4.207 8.062 4.033
196 HH12 ARG 28 1HH1 ARG 28 -4.924 6.670 4.843
197 HH21 ARG 28 2HH2 ARG 28 -2.816 6.469 7.415
198 HH22 ARG 28 1HH2 ARG 28 -4.193 5.842 6.508
199 H HIS 29 H HIS 29 0.512 5.232 2.406
200 HA HIS 29 HA HIS 29 2.982 4.584 3.689
201 HB2 HIS 29 1HB HIS 29 1.110 3.033 3.496
202 HB3 HIS 29 2HB HIS 29 1.266 2.995 1.742
203 HD1 HIS 29 1HD HIS 29 3.039 1.669 4.880
204 HD2 HIS 29 2HD HIS 29 3.155 1.461 0.682
205 HE1 HIS 29 1HE HIS 29 4.629 -0.229 4.329
206 H ILE 30 H ILE 30 2.270 5.042 0.197
207 HA ILE 30 HA ILE 30 4.977 4.407 -0.647
208 HB ILE 30 HB ILE 30 2.610 5.770 -1.981
209 HG12 ILE 30 1HG1 ILE 30 4.004 3.112 -2.567
210 HG13 ILE 30 2HG1 ILE 30 2.595 3.256 -1.520
211 HG21 ILE 30 1HG2 ILE 30 5.371 5.215 -3.115
212 HG22 ILE 30 2HG2 ILE 30 3.962 5.629 -4.117
213 HG23 ILE 30 3HG2 ILE 30 4.575 6.801 -2.960
214 HD11 ILE 30 3HD1 ILE 30 2.695 3.896 -4.487
215 HD12 ILE 30 1HD1 ILE 30 1.791 2.616 -3.680
216 HD13 ILE 30 2HD1 ILE 30 1.339 4.324 -3.415
217 H TRP 31 H TRP 31 3.255 7.530 -0.258
218 HA TRP 31 HA TRP 31 5.412 9.267 -0.731
219 HB2 TRP 31 1HB TRP 31 3.074 9.443 1.177
220 HB3 TRP 31 2HB TRP 31 4.176 10.782 0.914
221 HD1 TRP 31 1HD TRP 31 4.405 10.225 -2.319
222 HE1 TRP 31 1HE TRP 31 2.517 10.963 -3.822
223 HE3 TRP 31 3HE TRP 31 0.733 10.763 1.223
224 HZ2 TRP 31 2HZ TRP 31 -0.282 11.714 -3.561
225 HZ3 TRP 31 3HZ TRP 31 -1.542 11.509 0.557
226 HH2 TRP 31 2HH TRP 31 -2.062 11.981 -1.827
227 H ALA 32 H ALA 32 4.833 7.291 2.143
228 HA ALA 32 HA ALA 32 6.875 8.516 3.779
229 HB1 ALA 32 1HB ALA 32 5.607 5.745 3.910
230 HB2 ALA 32 2HB ALA 32 6.548 6.520 5.200
231 HB3 ALA 32 3HB ALA 32 4.990 7.212 4.704
232 H HIS 33 H HIS 33 6.940 5.714 1.504
233 HA HIS 33 HA HIS 33 9.733 5.058 1.957
234 HB2 HIS 33 1HB HIS 33 7.894 4.553 -0.418
235 HB3 HIS 33 2HB HIS 33 9.534 3.953 -0.279
236 HD1 HIS 33 1HD HIS 33 9.888 2.379 2.142
237 HD2 HIS 33 2HD HIS 33 6.176 2.737 0.213
238 HE1 HIS 33 1HE HIS 33 8.572 0.313 2.794
239 H GLU 34 H GLU 34 8.051 7.304 -0.257
240 HA GLU 34 HA GLU 34 10.480 8.282 -1.518
241 HB2 GLU 34 1HB GLU 34 7.672 9.440 -1.341
242 HB3 GLU 34 2HB GLU 34 8.984 10.139 -2.293
243 HG2 GLU 34 1HG GLU 34 9.201 7.951 -3.515
244 HG3 GLU 34 2HG GLU 34 7.735 7.396 -2.701
245 H GLY 35 H GLY 35 9.520 8.688 1.679
246 HA2 GLY 35 1HA GLY 35 10.486 9.910 3.356
247 HA3 GLY 35 2HA GLY 35 11.583 10.637 2.181
248 H VAL 36 H VAL 36 8.111 10.975 1.724
249 HA VAL 36 HA VAL 36 8.245 13.866 1.744
250 HB VAL 36 HB VAL 36 5.828 12.028 1.688
251 HG11 VAL 36 1HG1 VAL 36 4.677 13.936 0.598
252 HG12 VAL 36 2HG1 VAL 36 5.140 14.305 2.255
253 HG13 VAL 36 3HG1 VAL 36 6.096 14.960 0.904
254 HG21 VAL 36 3HG2 VAL 36 7.336 11.592 -0.226
255 HG22 VAL 36 1HG2 VAL 36 5.857 12.389 -0.757
256 HG23 VAL 36 2HG2 VAL 36 7.363 13.325 -0.609
257 H LYS 37 H LYS 37 7.620 15.323 3.252
258 HA LYS 37 HA LYS 37 7.410 14.461 6.053
259 HB2 LYS 37 1HB LYS 37 7.539 17.224 4.787
260 HB3 LYS 37 2HB LYS 37 7.528 16.895 6.524
261 HG2 LYS 37 1HG LYS 37 9.611 15.528 6.265
262 HG3 LYS 37 2HG LYS 37 9.684 15.986 4.560
263 HD2 LYS 37 1HD LYS 37 9.787 17.916 6.919
264 HD3 LYS 37 2HD LYS 37 11.179 17.342 5.992
265 HE2 LYS 37 1HE LYS 37 10.221 18.356 3.926
266 HE3 LYS 37 2HE LYS 37 8.854 18.968 4.868
267 HZ1 LYS 37 3HZ LYS 37 11.693 19.723 5.308
268 HZ2 LYS 37 1HZ LYS 37 10.430 20.284 6.180
269 HZ3 LYS 37 2HZ LYS 37 10.564 20.664 4.599
Start of MODEL 16
1 H1 GLY 1 1H GLY 1 -12.737 -19.251 6.097
2 H2 GLY 1 2H GLY 1 -11.229 -18.641 6.295
3 H3 GLY 1 3H GLY 1 -11.526 -19.715 5.097
4 HA2 GLY 1 1HA GLY 1 -12.970 -18.162 3.965
5 HA3 GLY 1 2HA GLY 1 -12.670 -17.001 5.270
6 H SER 2 H SER 2 -12.159 -16.586 2.464
7 HA SER 2 HA SER 2 -9.267 -16.729 2.007
8 HB2 SER 2 1HB SER 2 -9.813 -15.641 -0.120
9 HB3 SER 2 2HB SER 2 -10.835 -17.057 0.163
10 HG SER 2 HG SER 2 -11.982 -15.158 -0.582
11 H SER 3 H SER 3 -8.094 -14.739 1.270
12 HA SER 3 HA SER 3 -8.259 -12.606 3.276
13 HB2 SER 3 1HB SER 3 -6.429 -12.961 0.873
14 HB3 SER 3 2HB SER 3 -6.278 -11.696 2.103
15 HG SER 3 HG SER 3 -6.127 -14.516 2.553
16 H GLY 4 H GLY 4 -9.827 -13.044 0.292
17 HA2 GLY 4 1HA GLY 4 -11.229 -10.611 0.345
18 HA3 GLY 4 2HA GLY 4 -9.909 -10.407 -0.814
19 H SER 5 H SER 5 -12.709 -10.373 -1.471
20 HA SER 5 HA SER 5 -13.725 -12.881 -2.344
21 HB2 SER 5 1HB SER 5 -15.385 -11.498 -3.574
22 HB3 SER 5 2HB SER 5 -15.182 -11.029 -1.878
23 HG SER 5 HG SER 5 -15.205 -9.214 -3.309
24 H SER 6 H SER 6 -11.509 -10.713 -3.973
25 HA SER 6 HA SER 6 -11.753 -11.983 -6.610
26 HB2 SER 6 1HB SER 6 -9.880 -10.489 -7.173
27 HB3 SER 6 2HB SER 6 -11.197 -9.601 -6.380
28 HG SER 6 HG SER 6 -9.168 -9.053 -5.474
29 H GLY 7 H GLY 7 -10.161 -12.835 -3.690
30 HA2 GLY 7 1HA GLY 7 -8.524 -14.353 -3.158
31 HA3 GLY 7 2HA GLY 7 -8.485 -14.895 -4.838
32 H ARG 8 H ARG 8 -7.970 -11.501 -4.517
33 HA ARG 8 HA ARG 8 -4.987 -11.753 -4.696
34 HB2 ARG 8 1HB ARG 8 -6.859 -10.258 -6.584
35 HB3 ARG 8 2HB ARG 8 -5.100 -10.101 -6.583
36 HG2 ARG 8 1HG ARG 8 -4.873 -12.528 -7.069
37 HG3 ARG 8 2HG ARG 8 -6.633 -12.675 -7.164
38 HD2 ARG 8 1HD ARG 8 -4.920 -10.873 -8.928
39 HD3 ARG 8 2HD ARG 8 -5.507 -12.462 -9.396
40 HE ARG 8 HE ARG 8 -7.034 -9.960 -9.263
41 HH11 ARG 8 2HH1 ARG 8 -7.398 -13.444 -9.418
42 HH12 ARG 8 1HH1 ARG 8 -9.014 -13.334 -10.057
43 HH21 ARG 8 2HH2 ARG 8 -9.091 -9.900 -10.091
44 HH22 ARG 8 1HH2 ARG 8 -9.931 -11.380 -10.446
45 H ALA 9 H ALA 9 -3.847 -9.737 -4.511
46 HA ALA 9 HA ALA 9 -5.170 -7.414 -3.308
47 HB1 ALA 9 1HB ALA 9 -3.666 -7.391 -1.335
48 HB2 ALA 9 2HB ALA 9 -4.720 -8.816 -1.326
49 HB3 ALA 9 3HB ALA 9 -3.017 -8.978 -1.808
50 H MET 10 H MET 10 -3.686 -5.595 -3.058
51 HA MET 10 HA MET 10 -1.937 -5.315 -5.410
52 HB2 MET 10 1HB MET 10 -3.802 -3.717 -4.465
53 HB3 MET 10 2HB MET 10 -2.592 -3.221 -3.302
54 HG2 MET 10 1HG MET 10 -2.477 -3.017 -6.326
55 HG3 MET 10 2HG MET 10 -2.754 -1.706 -5.182
56 HE1 MET 10 3HE MET 10 0.725 -1.210 -3.530
57 HE2 MET 10 1HE MET 10 -1.027 -1.248 -3.229
58 HE3 MET 10 2HE MET 10 -0.057 -2.714 -3.025
59 H LYS 11 H LYS 11 0.320 -5.351 -5.277
60 HA LYS 11 HA LYS 11 1.609 -5.501 -2.586
61 HB2 LYS 11 1HB LYS 11 2.072 -7.271 -4.368
62 HB3 LYS 11 2HB LYS 11 2.913 -6.015 -5.285
63 HG2 LYS 11 1HG LYS 11 4.390 -5.613 -3.280
64 HG3 LYS 11 2HG LYS 11 3.550 -6.925 -2.441
65 HD2 LYS 11 1HD LYS 11 4.333 -8.501 -4.250
66 HD3 LYS 11 2HD LYS 11 5.246 -7.152 -4.973
67 HE2 LYS 11 1HE LYS 11 6.440 -6.819 -2.822
68 HE3 LYS 11 2HE LYS 11 5.521 -8.145 -2.101
69 HZ1 LYS 11 3HZ LYS 11 6.591 -9.659 -3.672
70 HZ2 LYS 11 1HZ LYS 11 7.693 -8.860 -2.755
71 HZ3 LYS 11 2HZ LYS 11 7.462 -8.430 -4.325
72 H CYS 12 H CYS 12 2.717 -3.823 -1.759
73 HA CYS 12 HA CYS 12 2.719 -1.245 -2.776
74 HB2 CYS 12 1HB CYS 12 3.091 -1.750 -0.464
75 HB3 CYS 12 2HB CYS 12 4.514 -2.731 -0.833
76 HA PRO 13 HA PRO 13 5.830 -1.427 -5.925
77 HB2 PRO 13 1HB PRO 13 6.169 1.266 -6.479
78 HB3 PRO 13 2HB PRO 13 4.804 0.248 -7.018
79 HG2 PRO 13 1HG PRO 13 4.890 2.216 -4.757
80 HG3 PRO 13 2HG PRO 13 3.533 1.810 -5.845
81 HD2 PRO 13 1HD PRO 13 3.809 0.874 -3.268
82 HD3 PRO 13 2HD PRO 13 2.859 0.068 -4.552
83 H TYR 14 H TYR 14 6.551 -0.459 -2.806
84 HA TYR 14 HA TYR 14 9.485 -0.186 -3.403
85 HB2 TYR 14 1HB TYR 14 7.812 1.150 -1.277
86 HB3 TYR 14 2HB TYR 14 9.566 1.204 -1.320
87 HD1 TYR 14 1HD TYR 14 6.491 2.172 -3.170
88 HD2 TYR 14 2HD TYR 14 10.711 2.838 -2.639
89 HE1 TYR 14 1HE TYR 14 6.388 4.108 -4.758
90 HE2 TYR 14 2HE TYR 14 10.581 4.843 -4.124
91 HH TYR 14 HH TYR 14 7.541 5.783 -5.783
92 H CYS 15 H CYS 15 7.074 -1.876 -1.450
93 HA CYS 15 HA CYS 15 9.229 -3.570 -0.344
94 HB2 CYS 15 1HB CYS 15 8.610 -3.363 1.918
95 HB3 CYS 15 2HB CYS 15 8.847 -1.740 1.298
96 H ASP 16 H ASP 16 8.019 -5.263 1.237
97 HA ASP 16 HA ASP 16 6.415 -6.840 -0.650
98 HB2 ASP 16 1HB ASP 16 7.786 -7.555 1.954
99 HB3 ASP 16 2HB ASP 16 6.841 -8.693 0.997
100 H PHE 17 H PHE 17 5.382 -4.580 1.466
101 HA PHE 17 HA PHE 17 3.313 -6.113 2.826
102 HB2 PHE 17 1HB PHE 17 4.545 -3.998 3.639
103 HB3 PHE 17 2HB PHE 17 3.411 -3.104 2.635
104 HD1 PHE 17 1HD PHE 17 3.855 -5.205 5.642
105 HD2 PHE 17 2HD PHE 17 0.987 -3.045 3.256
106 HE1 PHE 17 1HE PHE 17 2.205 -5.342 7.494
107 HE2 PHE 17 2HE PHE 17 -0.655 -3.176 5.104
108 HZ PHE 17 HZ PHE 17 -0.052 -4.325 7.232
109 H TYR 18 H TYR 18 1.165 -6.272 2.421
110 HA TYR 18 HA TYR 18 0.217 -5.460 -0.248
111 HB2 TYR 18 1HB TYR 18 -0.641 -7.608 1.690
112 HB3 TYR 18 2HB TYR 18 -1.628 -7.147 0.308
113 HD1 TYR 18 1HD TYR 18 -0.966 -7.569 -1.969
114 HD2 TYR 18 2HD TYR 18 1.640 -8.609 1.304
115 HE1 TYR 18 1HE TYR 18 0.487 -8.798 -3.538
116 HE2 TYR 18 2HE TYR 18 3.104 -9.843 -0.253
117 HH TYR 18 HH TYR 18 2.350 -10.159 -3.760
118 H PHE 19 H PHE 19 -1.702 -4.609 -0.743
119 HA PHE 19 HA PHE 19 -3.382 -3.315 1.359
120 HB2 PHE 19 1HB PHE 19 -2.181 -2.038 -1.131
121 HB3 PHE 19 2HB PHE 19 -3.511 -1.336 -0.228
122 HD1 PHE 19 1HD PHE 19 0.105 -2.230 -0.053
123 HD2 PHE 19 2HD PHE 19 -3.190 -0.208 1.873
124 HE1 PHE 19 1HE PHE 19 1.678 -1.191 1.561
125 HE2 PHE 19 2HE PHE 19 -1.606 0.825 3.481
126 HZ PHE 19 HZ PHE 19 0.812 0.300 3.357
127 H MET 20 H MET 20 -5.547 -2.840 0.701
128 HA MET 20 HA MET 20 -6.490 -3.723 -1.924
129 HB2 MET 20 1HB MET 20 -6.499 -5.813 -0.554
130 HB3 MET 20 2HB MET 20 -7.562 -5.028 0.618
131 HG2 MET 20 1HG MET 20 -8.771 -6.521 -0.908
132 HG3 MET 20 2HG MET 20 -9.335 -4.861 -1.039
133 HE1 MET 20 3HE MET 20 -9.939 -7.299 -3.102
134 HE2 MET 20 1HE MET 20 -10.640 -5.668 -3.242
135 HE3 MET 20 2HE MET 20 -9.842 -6.417 -4.642
136 H LYS 21 H LYS 21 -8.170 -2.572 -2.582
137 HA LYS 21 HA LYS 21 -9.604 -0.885 -2.882
138 HB2 LYS 21 1HB LYS 21 -10.571 -1.743 -0.141
139 HB3 LYS 21 2HB LYS 21 -11.408 -0.572 -1.165
140 HG2 LYS 21 1HG LYS 21 -11.623 -2.241 -2.969
141 HG3 LYS 21 2HG LYS 21 -10.796 -3.447 -1.969
142 HD2 LYS 21 1HD LYS 21 -12.588 -3.272 -0.262
143 HD3 LYS 21 2HD LYS 21 -13.418 -2.058 -1.261
144 HE2 LYS 21 1HE LYS 21 -13.606 -3.724 -3.105
145 HE3 LYS 21 2HE LYS 21 -12.806 -4.932 -2.091
146 HZ1 LYS 21 3HZ LYS 21 -14.665 -4.745 -0.519
147 HZ2 LYS 21 1HZ LYS 21 -15.222 -5.160 -1.997
148 HZ3 LYS 21 2HZ LYS 21 -15.404 -3.632 -1.459
149 H ASN 22 H ASN 22 -8.006 -0.304 0.253
150 HA ASN 22 HA ASN 22 -8.722 2.517 0.201
151 HB2 ASN 22 1HB ASN 22 -8.615 1.128 2.254
152 HB3 ASN 22 2HB ASN 22 -6.859 1.034 2.088
153 HD21 ASN 22 2HD2 ASN 22 -7.945 2.063 4.403
154 HD22 ASN 22 1HD2 ASN 22 -7.691 3.802 4.438
155 H GLY 23 H GLY 23 -7.841 3.071 -1.862
156 HA2 GLY 23 1HA GLY 23 -5.080 3.140 -2.527
157 HA3 GLY 23 2HA GLY 23 -6.335 4.198 -3.179
158 H SER 24 H SER 24 -6.954 5.354 -0.450
159 HA SER 24 HA SER 24 -5.075 7.535 -0.489
160 HB2 SER 24 1HB SER 24 -7.142 6.795 1.616
161 HB3 SER 24 2HB SER 24 -6.316 8.357 1.456
162 HG SER 24 HG SER 24 -8.394 8.361 0.462
163 H ASP 25 H ASP 25 -5.534 4.801 1.822
164 HA ASP 25 HA ASP 25 -3.295 5.601 3.482
165 HB2 ASP 25 1HB ASP 25 -5.247 4.232 4.225
166 HB3 ASP 25 2HB ASP 25 -4.629 2.884 3.259
167 H LEU 26 H LEU 26 -3.616 3.422 0.667
168 HA LEU 26 HA LEU 26 -0.915 2.460 0.642
169 HB2 LEU 26 1HB LEU 26 -2.627 1.439 -0.741
170 HB3 LEU 26 2HB LEU 26 -2.947 2.966 -1.562
171 HG LEU 26 HG LEU 26 -0.670 2.923 -2.564
172 HD11 LEU 26 1HD1 LEU 26 0.508 1.534 -0.879
173 HD12 LEU 26 2HD1 LEU 26 0.661 0.859 -2.498
174 HD13 LEU 26 3HD1 LEU 26 -0.488 0.144 -1.349
175 HD21 LEU 26 3HD2 LEU 26 -2.544 2.066 -3.830
176 HD22 LEU 26 1HD2 LEU 26 -2.395 0.475 -3.059
177 HD23 LEU 26 2HD2 LEU 26 -1.109 1.075 -4.142
178 H GLN 27 H GLN 27 -2.382 5.397 -0.905
179 HA GLN 27 HA GLN 27 0.009 6.378 -2.052
180 HB2 GLN 27 1HB GLN 27 -2.236 7.126 -2.655
181 HB3 GLN 27 2HB GLN 27 -2.464 7.854 -1.058
182 HG2 GLN 27 1HG GLN 27 -0.702 9.480 -1.500
183 HG3 GLN 27 2HG GLN 27 -0.292 8.680 -3.027
184 HE21 GLN 27 1HE2 GLN 27 -3.014 10.391 -1.351
185 HE22 GLN 27 2HE2 GLN 27 -3.718 10.988 -2.846
186 H ARG 28 H ARG 28 -1.363 6.997 1.218
187 HA ARG 28 HA ARG 28 0.745 8.700 2.159
188 HB2 ARG 28 1HB ARG 28 -1.492 8.400 3.217
189 HB3 ARG 28 2HB ARG 28 -1.024 6.773 3.729
190 HG2 ARG 28 1HG ARG 28 0.803 7.727 5.113
191 HG3 ARG 28 2HG ARG 28 0.375 9.358 4.558
192 HD2 ARG 28 1HD ARG 28 -1.890 9.089 5.578
193 HD3 ARG 28 2HD ARG 28 -1.452 7.463 6.100
194 HE ARG 28 HE ARG 28 -0.134 8.313 7.815
195 HH11 ARG 28 2HH1 ARG 28 -1.135 11.038 5.842
196 HH12 ARG 28 1HH1 ARG 28 -0.592 12.199 7.021
197 HH21 ARG 28 1HH2 ARG 28 0.531 9.849 9.263
198 HH22 ARG 28 2HH2 ARG 28 0.325 11.539 8.903
199 H HIS 29 H HIS 29 0.442 5.126 2.311
200 HA HIS 29 HA HIS 29 2.921 4.649 3.656
201 HB2 HIS 29 1HB HIS 29 1.135 3.010 3.535
202 HB3 HIS 29 2HB HIS 29 1.236 2.947 1.781
203 HD1 HIS 29 1HD HIS 29 3.164 1.742 4.876
204 HD2 HIS 29 2HD HIS 29 3.044 1.383 0.690
205 HE1 HIS 29 1HE HIS 29 4.689 -0.206 4.308
206 H ILE 30 H ILE 30 2.212 4.976 0.146
207 HA ILE 30 HA ILE 30 4.930 4.406 -0.668
208 HB ILE 30 HB ILE 30 2.563 5.759 -2.019
209 HG12 ILE 30 1HG1 ILE 30 3.937 3.112 -2.665
210 HG13 ILE 30 2HG1 ILE 30 2.586 3.222 -1.541
211 HG21 ILE 30 1HG2 ILE 30 4.489 6.788 -3.019
212 HG22 ILE 30 2HG2 ILE 30 5.351 5.233 -3.084
213 HG23 ILE 30 3HG2 ILE 30 3.966 5.540 -4.153
214 HD11 ILE 30 3HD1 ILE 30 2.501 3.956 -4.492
215 HD12 ILE 30 1HD1 ILE 30 1.692 2.611 -3.686
216 HD13 ILE 30 2HD1 ILE 30 1.198 4.286 -3.325
217 H TRP 31 H TRP 31 3.179 7.501 -0.243
218 HA TRP 31 HA TRP 31 5.342 9.285 -0.630
219 HB2 TRP 31 1HB TRP 31 2.905 9.332 1.151
220 HB3 TRP 31 2HB TRP 31 4.032 10.672 1.117
221 HD1 TRP 31 1HD TRP 31 4.304 10.055 -2.274
222 HE1 TRP 31 1HE TRP 31 2.623 11.274 -3.707
223 HE3 TRP 31 3HE TRP 31 0.836 11.162 1.342
224 HZ2 TRP 31 2HZ TRP 31 0.074 12.632 -3.362
225 HZ3 TRP 31 3HZ TRP 31 -1.210 12.447 0.750
226 HH2 TRP 31 2HH TRP 31 -1.594 13.192 -1.589
227 H ALA 32 H ALA 32 4.723 7.166 2.132
228 HA ALA 32 HA ALA 32 6.701 8.420 3.837
229 HB1 ALA 32 1HB ALA 32 6.341 6.447 5.270
230 HB2 ALA 32 2HB ALA 32 4.785 7.089 4.702
231 HB3 ALA 32 3HB ALA 32 5.473 5.627 3.959
232 H HIS 33 H HIS 33 6.836 5.629 1.556
233 HA HIS 33 HA HIS 33 9.614 4.973 2.061
234 HB2 HIS 33 1HB HIS 33 7.824 4.547 -0.367
235 HB3 HIS 33 2HB HIS 33 9.474 3.965 -0.244
236 HD1 HIS 33 1HD HIS 33 9.869 2.271 2.051
237 HD2 HIS 33 2HD HIS 33 6.099 2.726 0.258
238 HE1 HIS 33 1HE HIS 33 8.567 0.179 2.646
239 H GLU 34 H GLU 34 8.007 7.223 -0.202
240 HA GLU 34 HA GLU 34 10.469 8.260 -1.331
241 HB2 GLU 34 1HB GLU 34 7.571 9.146 -1.334
242 HB3 GLU 34 2HB GLU 34 8.819 10.109 -2.114
243 HG2 GLU 34 1HG GLU 34 8.396 7.176 -2.800
244 HG3 GLU 34 2HG GLU 34 7.514 8.482 -3.582
245 H GLY 35 H GLY 35 9.340 8.688 1.801
246 HA2 GLY 35 1HA GLY 35 10.113 10.010 3.503
247 HA3 GLY 35 2HA GLY 35 11.355 10.625 2.409
248 H VAL 36 H VAL 36 7.899 11.011 1.759
249 HA VAL 36 HA VAL 36 8.132 13.834 1.307
250 HB VAL 36 HB VAL 36 5.659 12.105 1.631
251 HG11 VAL 36 1HG1 VAL 36 5.020 14.456 1.830
252 HG12 VAL 36 2HG1 VAL 36 5.958 14.860 0.369
253 HG13 VAL 36 3HG1 VAL 36 4.513 13.828 0.264
254 HG21 VAL 36 3HG2 VAL 36 7.165 12.974 -0.878
255 HG22 VAL 36 1HG2 VAL 36 7.114 11.328 -0.216
256 HG23 VAL 36 2HG2 VAL 36 5.640 12.060 -0.843
257 H LYS 37 H LYS 37 7.594 15.578 2.484
258 HA LYS 37 HA LYS 37 6.381 15.408 5.161
259 HB2 LYS 37 1HB LYS 37 8.219 16.595 6.246
260 HB3 LYS 37 2HB LYS 37 8.735 15.024 5.639
261 HG2 LYS 37 1HG LYS 37 9.806 16.135 3.676
262 HG3 LYS 37 2HG LYS 37 9.290 17.712 4.306
263 HD2 LYS 37 1HD LYS 37 10.654 17.348 6.349
264 HD3 LYS 37 2HD LYS 37 11.102 15.741 5.764
265 HE2 LYS 37 1HE LYS 37 12.946 17.191 5.317
266 HE3 LYS 37 2HE LYS 37 12.199 16.768 3.775
267 HZ1 LYS 37 3HZ LYS 37 11.769 19.327 5.236
268 HZ2 LYS 37 1HZ LYS 37 11.107 18.953 3.787
269 HZ3 LYS 37 2HZ LYS 37 12.718 19.145 3.924
Start of MODEL 17
1 H1 GLY 1 1H GLY 1 6.270 -23.073 -11.970
2 H2 GLY 1 2H GLY 1 5.452 -21.704 -11.591
3 H3 GLY 1 3H GLY 1 4.666 -23.138 -11.635
4 HA2 GLY 1 1HA GLY 1 5.941 -23.971 -9.768
5 HA3 GLY 1 2HA GLY 1 6.786 -22.414 -9.717
6 H SER 2 H SER 2 5.847 -22.835 -7.424
7 HA SER 2 HA SER 2 3.008 -22.205 -7.069
8 HB2 SER 2 1HB SER 2 5.155 -22.717 -4.988
9 HB3 SER 2 2HB SER 2 3.402 -22.739 -4.733
10 HG SER 2 HG SER 2 3.256 -24.537 -6.109
11 H SER 3 H SER 3 5.302 -20.069 -7.780
12 HA SER 3 HA SER 3 5.142 -18.129 -5.642
13 HB2 SER 3 1HB SER 3 6.280 -16.650 -7.308
14 HB3 SER 3 2HB SER 3 7.103 -18.184 -6.990
15 HG SER 3 HG SER 3 6.984 -17.685 -9.240
16 H GLY 4 H GLY 4 4.313 -15.965 -5.829
17 HA2 GLY 4 1HA GLY 4 2.688 -14.367 -6.264
18 HA3 GLY 4 2HA GLY 4 2.178 -15.269 -7.685
19 H SER 5 H SER 5 0.079 -14.383 -6.746
20 HA SER 5 HA SER 5 -1.320 -16.545 -5.325
21 HB2 SER 5 1HB SER 5 -2.317 -15.095 -3.649
22 HB3 SER 5 2HB SER 5 -0.557 -15.083 -3.492
23 HG SER 5 HG SER 5 -1.405 -12.972 -3.360
24 H SER 6 H SER 6 -3.646 -16.350 -5.390
25 HA SER 6 HA SER 6 -4.572 -15.175 -7.939
26 HB2 SER 6 1HB SER 6 -5.933 -17.156 -6.089
27 HB3 SER 6 2HB SER 6 -6.444 -16.709 -7.727
28 HG SER 6 HG SER 6 -5.227 -18.659 -7.699
29 H GLY 7 H GLY 7 -4.556 -13.954 -4.877
30 HA2 GLY 7 1HA GLY 7 -7.293 -13.086 -4.513
31 HA3 GLY 7 2HA GLY 7 -5.880 -12.504 -3.642
32 H ARG 8 H ARG 8 -7.948 -10.826 -4.329
33 HA ARG 8 HA ARG 8 -7.292 -9.322 -6.759
34 HB2 ARG 8 1HB ARG 8 -9.247 -8.040 -6.330
35 HB3 ARG 8 2HB ARG 8 -9.642 -9.734 -6.068
36 HG2 ARG 8 1HG ARG 8 -9.657 -9.457 -3.661
37 HG3 ARG 8 2HG ARG 8 -8.887 -7.874 -3.773
38 HD2 ARG 8 1HD ARG 8 -10.944 -7.089 -5.090
39 HD3 ARG 8 2HD ARG 8 -11.703 -8.612 -4.629
40 HE ARG 8 HE ARG 8 -12.014 -7.790 -2.476
41 HH11 ARG 8 2HH1 ARG 8 -9.682 -5.641 -4.025
42 HH12 ARG 8 1HH1 ARG 8 -9.628 -4.605 -2.609
43 HH21 ARG 8 2HH2 ARG 8 -11.900 -6.306 -0.781
44 HH22 ARG 8 1HH2 ARG 8 -10.785 -4.955 -0.921
45 H ALA 9 H ALA 9 -5.704 -9.260 -3.965
46 HA ALA 9 HA ALA 9 -5.530 -6.439 -3.370
47 HB1 ALA 9 1HB ALA 9 -5.129 -8.268 -1.737
48 HB2 ALA 9 2HB ALA 9 -3.678 -8.738 -2.661
49 HB3 ALA 9 3HB ALA 9 -3.747 -7.147 -1.873
50 H MET 10 H MET 10 -3.318 -5.444 -3.185
51 HA MET 10 HA MET 10 -1.644 -5.799 -5.634
52 HB2 MET 10 1HB MET 10 -1.612 -3.534 -6.012
53 HB3 MET 10 2HB MET 10 -3.255 -3.777 -5.417
54 HG2 MET 10 1HG MET 10 -2.651 -1.899 -4.266
55 HG3 MET 10 2HG MET 10 -2.270 -3.135 -3.078
56 HE1 MET 10 3HE MET 10 0.388 -3.426 -2.096
57 HE2 MET 10 1HE MET 10 1.010 -1.776 -1.970
58 HE3 MET 10 2HE MET 10 -0.690 -2.114 -1.610
59 H LYS 11 H LYS 11 0.612 -5.198 -5.360
60 HA LYS 11 HA LYS 11 1.648 -5.436 -2.557
61 HB2 LYS 11 1HB LYS 11 2.037 -7.402 -4.121
62 HB3 LYS 11 2HB LYS 11 3.071 -6.337 -5.078
63 HG2 LYS 11 1HG LYS 11 4.494 -5.958 -3.034
64 HG3 LYS 11 2HG LYS 11 3.442 -7.071 -2.134
65 HD2 LYS 11 1HD LYS 11 4.016 -8.875 -3.811
66 HD3 LYS 11 2HD LYS 11 5.088 -7.731 -4.620
67 HE2 LYS 11 1HE LYS 11 6.471 -9.097 -3.258
68 HE3 LYS 11 2HE LYS 11 6.402 -7.505 -2.489
69 HZ1 LYS 11 3HZ LYS 11 6.128 -9.355 -0.899
70 HZ2 LYS 11 1HZ LYS 11 4.756 -9.847 -1.667
71 HZ3 LYS 11 2HZ LYS 11 4.817 -8.399 -0.896
72 H CYS 12 H CYS 12 3.074 -3.966 -1.857
73 HA CYS 12 HA CYS 12 3.052 -1.386 -2.842
74 HB2 CYS 12 1HB CYS 12 3.442 -2.028 -0.548
75 HB3 CYS 12 2HB CYS 12 4.946 -2.848 -0.979
76 HA PRO 13 HA PRO 13 6.209 -1.432 -5.976
77 HB2 PRO 13 1HB PRO 13 6.456 1.282 -6.461
78 HB3 PRO 13 2HB PRO 13 5.159 0.220 -7.072
79 HG2 PRO 13 1HG PRO 13 5.066 2.158 -4.792
80 HG3 PRO 13 2HG PRO 13 3.768 1.683 -5.920
81 HD2 PRO 13 1HD PRO 13 4.047 0.742 -3.331
82 HD3 PRO 13 2HD PRO 13 3.135 -0.075 -4.633
83 H TYR 14 H TYR 14 6.773 -0.452 -2.808
84 HA TYR 14 HA TYR 14 9.713 -0.059 -3.298
85 HB2 TYR 14 1HB TYR 14 7.895 1.237 -1.268
86 HB3 TYR 14 2HB TYR 14 9.647 1.348 -1.216
87 HD1 TYR 14 1HD TYR 14 6.645 2.202 -3.226
88 HD2 TYR 14 2HD TYR 14 10.815 2.990 -2.514
89 HE1 TYR 14 1HE TYR 14 6.558 4.114 -4.842
90 HE2 TYR 14 2HE TYR 14 10.699 4.972 -4.029
91 HH TYR 14 HH TYR 14 7.712 5.814 -5.830
92 H CYS 15 H CYS 15 7.295 -1.765 -1.342
93 HA CYS 15 HA CYS 15 9.489 -3.336 -0.114
94 HB2 CYS 15 1HB CYS 15 8.799 -3.076 2.095
95 HB3 CYS 15 2HB CYS 15 8.879 -1.461 1.426
96 H ASP 16 H ASP 16 8.138 -4.939 1.550
97 HA ASP 16 HA ASP 16 7.068 -6.889 -0.335
98 HB2 ASP 16 1HB ASP 16 8.748 -7.385 1.442
99 HB3 ASP 16 2HB ASP 16 7.528 -7.038 2.669
100 H PHE 17 H PHE 17 5.573 -4.514 1.658
101 HA PHE 17 HA PHE 17 3.391 -6.078 2.650
102 HB2 PHE 17 1HB PHE 17 4.456 -4.014 3.652
103 HB3 PHE 17 2HB PHE 17 3.584 -3.062 2.458
104 HD1 PHE 17 1HD PHE 17 3.049 -5.639 5.157
105 HD2 PHE 17 2HD PHE 17 1.422 -2.268 3.021
106 HE1 PHE 17 1HE PHE 17 1.106 -5.592 6.707
107 HE2 PHE 17 2HE PHE 17 -0.515 -2.217 4.572
108 HZ PHE 17 HZ PHE 17 -0.676 -3.878 6.418
109 H TYR 18 H TYR 18 1.135 -5.831 2.317
110 HA TYR 18 HA TYR 18 0.328 -5.205 -0.485
111 HB2 TYR 18 1HB TYR 18 -0.757 -7.285 1.447
112 HB3 TYR 18 2HB TYR 18 -1.429 -6.938 -0.135
113 HD1 TYR 18 1HD TYR 18 1.593 -8.252 1.617
114 HD2 TYR 18 2HD TYR 18 -0.535 -7.915 -2.121
115 HE1 TYR 18 1HE TYR 18 3.134 -9.885 0.595
116 HE2 TYR 18 2HE TYR 18 1.004 -9.561 -3.150
117 HH TYR 18 HH TYR 18 2.752 -11.019 -2.800
118 H PHE 19 H PHE 19 -1.733 -4.402 -0.917
119 HA PHE 19 HA PHE 19 -3.468 -3.590 1.355
120 HB2 PHE 19 1HB PHE 19 -2.603 -1.699 -0.857
121 HB3 PHE 19 2HB PHE 19 -4.086 -1.493 0.027
122 HD1 PHE 19 1HD PHE 19 -0.371 -1.458 0.424
123 HD2 PHE 19 2HD PHE 19 -4.191 -0.665 2.268
124 HE1 PHE 19 1HE PHE 19 0.749 -0.131 2.178
125 HE2 PHE 19 2HE PHE 19 -3.045 0.604 4.066
126 HZ PHE 19 HZ PHE 19 -0.580 0.908 4.006
127 H MET 20 H MET 20 -5.620 -3.608 0.972
128 HA MET 20 HA MET 20 -6.662 -4.451 -1.682
129 HB2 MET 20 1HB MET 20 -8.075 -6.190 -0.485
130 HB3 MET 20 2HB MET 20 -6.366 -6.520 -0.675
131 HG2 MET 20 1HG MET 20 -7.065 -7.233 1.506
132 HG3 MET 20 2HG MET 20 -5.906 -5.933 1.641
133 HE1 MET 20 3HE MET 20 -9.364 -7.301 2.489
134 HE2 MET 20 1HE MET 20 -10.348 -5.874 2.874
135 HE3 MET 20 2HE MET 20 -9.878 -6.200 1.190
136 H LYS 21 H LYS 21 -6.963 -2.203 0.707
137 HA LYS 21 HA LYS 21 -9.583 -1.325 -0.329
138 HB2 LYS 21 1HB LYS 21 -8.987 -1.807 2.620
139 HB3 LYS 21 2HB LYS 21 -10.156 -0.593 2.099
140 HG2 LYS 21 1HG LYS 21 -11.458 -2.309 0.889
141 HG3 LYS 21 2HG LYS 21 -10.329 -3.559 1.444
142 HD2 LYS 21 1HD LYS 21 -10.887 -3.063 3.793
143 HD3 LYS 21 2HD LYS 21 -11.970 -1.753 3.275
144 HE2 LYS 21 1HE LYS 21 -13.362 -3.392 2.032
145 HE3 LYS 21 2HE LYS 21 -12.297 -4.701 2.558
146 HZ1 LYS 21 3HZ LYS 21 -12.920 -4.187 4.864
147 HZ2 LYS 21 1HZ LYS 21 -14.252 -4.526 3.987
148 HZ3 LYS 21 2HZ LYS 21 -13.906 -2.981 4.372
149 H ASN 22 H ASN 22 -9.890 0.812 -0.269
150 HA ASN 22 HA ASN 22 -9.443 2.945 -0.658
151 HB2 ASN 22 1HB ASN 22 -9.809 2.997 1.746
152 HB3 ASN 22 2HB ASN 22 -8.082 2.749 2.034
153 HD21 ASN 22 1HD2 ASN 22 -7.737 4.744 3.102
154 HD22 ASN 22 2HD2 ASN 22 -7.784 6.260 2.177
155 H GLY 23 H GLY 23 -8.335 3.847 -2.188
156 HA2 GLY 23 1HA GLY 23 -5.618 3.346 -2.870
157 HA3 GLY 23 2HA GLY 23 -6.612 4.688 -3.442
158 H SER 24 H SER 24 -6.987 5.909 -0.702
159 HA SER 24 HA SER 24 -4.482 7.389 -0.762
160 HB2 SER 24 1HB SER 24 -5.439 8.983 0.612
161 HB3 SER 24 2HB SER 24 -6.734 8.438 -0.463
162 HG SER 24 HG SER 24 -7.535 8.546 1.605
163 H ASP 25 H ASP 25 -5.589 4.743 1.217
164 HA ASP 25 HA ASP 25 -3.589 5.112 3.332
165 HB2 ASP 25 1HB ASP 25 -5.416 2.845 2.512
166 HB3 ASP 25 2HB ASP 25 -4.102 2.595 3.656
167 H LEU 26 H LEU 26 -3.727 3.398 0.199
168 HA LEU 26 HA LEU 26 -1.024 2.355 0.394
169 HB2 LEU 26 1HB LEU 26 -2.639 1.343 -1.108
170 HB3 LEU 26 2HB LEU 26 -2.888 2.869 -1.956
171 HG LEU 26 HG LEU 26 -0.569 2.825 -2.801
172 HD11 LEU 26 1HD1 LEU 26 0.749 0.689 -2.564
173 HD12 LEU 26 2HD1 LEU 26 -0.418 0.175 -1.326
174 HD13 LEU 26 3HD1 LEU 26 0.607 1.594 -1.056
175 HD21 LEU 26 3HD2 LEU 26 -2.360 1.813 -4.125
176 HD22 LEU 26 1HD2 LEU 26 -2.108 0.257 -3.302
177 HD23 LEU 26 2HD2 LEU 26 -0.835 0.937 -4.343
178 H GLN 27 H GLN 27 -2.451 5.309 -1.097
179 HA GLN 27 HA GLN 27 -0.089 6.314 -2.224
180 HB2 GLN 27 1HB GLN 27 -2.475 7.080 -2.579
181 HB3 GLN 27 2HB GLN 27 -2.343 7.993 -1.064
182 HG2 GLN 27 1HG GLN 27 -0.495 9.318 -2.035
183 HG3 GLN 27 2HG GLN 27 -0.532 8.328 -3.496
184 HE21 GLN 27 1HE2 GLN 27 -0.927 10.292 -4.773
185 HE22 GLN 27 2HE2 GLN 27 -2.535 11.000 -4.778
186 H ARG 28 H ARG 28 -1.365 6.962 1.097
187 HA ARG 28 HA ARG 28 0.902 8.580 1.865
188 HB2 ARG 28 1HB ARG 28 0.026 8.690 3.987
189 HB3 ARG 28 2HB ARG 28 -1.336 8.711 2.871
190 HG2 ARG 28 1HG ARG 28 -1.603 6.201 3.359
191 HG3 ARG 28 2HG ARG 28 -0.381 6.405 4.622
192 HD2 ARG 28 1HD ARG 28 -2.383 6.657 5.782
193 HD3 ARG 28 2HD ARG 28 -1.848 8.329 5.485
194 HE ARG 28 HE ARG 28 -3.523 7.578 3.326
195 HH11 ARG 28 2HH1 ARG 28 -3.922 8.106 6.767
196 HH12 ARG 28 1HH1 ARG 28 -5.623 8.453 6.619
197 HH21 ARG 28 2HH2 ARG 28 -5.748 8.002 3.213
198 HH22 ARG 28 1HH2 ARG 28 -6.600 8.413 4.668
199 H HIS 29 H HIS 29 0.378 5.074 2.037
200 HA HIS 29 HA HIS 29 2.755 4.475 3.560
201 HB2 HIS 29 1HB HIS 29 0.938 2.884 3.339
202 HB3 HIS 29 2HB HIS 29 1.108 2.846 1.588
203 HD1 HIS 29 1HD HIS 29 2.686 1.373 4.720
204 HD2 HIS 29 2HD HIS 29 3.165 1.454 0.546
205 HE1 HIS 29 1HE HIS 29 4.320 -0.493 4.177
206 H ILE 30 H ILE 30 2.179 4.874 0.035
207 HA ILE 30 HA ILE 30 4.920 4.274 -0.696
208 HB ILE 30 HB ILE 30 2.607 5.641 -2.117
209 HG12 ILE 30 1HG1 ILE 30 4.008 2.982 -2.674
210 HG13 ILE 30 2HG1 ILE 30 2.586 3.122 -1.643
211 HG21 ILE 30 1HG2 ILE 30 4.062 5.460 -4.201
212 HG22 ILE 30 2HG2 ILE 30 4.591 6.669 -3.035
213 HG23 ILE 30 3HG2 ILE 30 5.420 5.099 -3.114
214 HD11 ILE 30 3HD1 ILE 30 2.711 3.788 -4.603
215 HD12 ILE 30 1HD1 ILE 30 1.820 2.482 -3.818
216 HD13 ILE 30 2HD1 ILE 30 1.340 4.178 -3.534
217 H TRP 31 H TRP 31 3.181 7.378 -0.328
218 HA TRP 31 HA TRP 31 5.356 9.148 -0.652
219 HB2 TRP 31 1HB TRP 31 2.887 9.219 1.077
220 HB3 TRP 31 2HB TRP 31 4.026 10.545 1.079
221 HD1 TRP 31 1HD TRP 31 4.473 10.153 -2.257
222 HE1 TRP 31 1HE TRP 31 2.817 11.362 -3.727
223 HE3 TRP 31 3HE TRP 31 0.704 10.826 1.166
224 HZ2 TRP 31 2HZ TRP 31 0.186 12.570 -3.475
225 HZ3 TRP 31 3HZ TRP 31 -1.375 12.018 0.506
226 HH2 TRP 31 2HH TRP 31 -1.642 12.897 -1.801
227 H ALA 32 H ALA 32 4.702 7.044 2.109
228 HA ALA 32 HA ALA 32 6.602 8.318 3.883
229 HB1 ALA 32 1HB ALA 32 6.259 6.304 5.264
230 HB2 ALA 32 2HB ALA 32 4.705 6.932 4.675
231 HB3 ALA 32 3HB ALA 32 5.435 5.499 3.915
232 H HIS 33 H HIS 33 6.868 5.593 1.546
233 HA HIS 33 HA HIS 33 9.647 4.990 2.139
234 HB2 HIS 33 1HB HIS 33 7.963 4.499 -0.351
235 HB3 HIS 33 2HB HIS 33 9.589 3.886 -0.092
236 HD1 HIS 33 1HD HIS 33 9.737 2.332 2.375
237 HD2 HIS 33 2HD HIS 33 6.185 2.704 0.168
238 HE1 HIS 33 1HE HIS 33 8.337 0.305 2.975
239 H GLU 34 H GLU 34 8.021 7.203 -0.138
240 HA GLU 34 HA GLU 34 10.475 8.304 -1.235
241 HB2 GLU 34 1HB GLU 34 7.564 9.146 -1.248
242 HB3 GLU 34 2HB GLU 34 8.805 10.138 -2.000
243 HG2 GLU 34 1HG GLU 34 8.431 7.213 -2.745
244 HG3 GLU 34 2HG GLU 34 7.527 8.516 -3.505
245 H GLY 35 H GLY 35 9.333 8.619 1.893
246 HA2 GLY 35 1HA GLY 35 10.128 9.872 3.633
247 HA3 GLY 35 2HA GLY 35 11.313 10.587 2.537
248 H VAL 36 H VAL 36 7.846 10.908 1.935
249 HA VAL 36 HA VAL 36 7.987 13.786 1.792
250 HB VAL 36 HB VAL 36 5.577 11.941 1.839
251 HG11 VAL 36 1HG1 VAL 36 5.811 14.831 0.902
252 HG12 VAL 36 2HG1 VAL 36 4.408 13.773 0.639
253 HG13 VAL 36 3HG1 VAL 36 4.851 14.236 2.279
254 HG21 VAL 36 3HG2 VAL 36 7.112 13.134 -0.515
255 HG22 VAL 36 1HG2 VAL 36 7.098 11.423 -0.049
256 HG23 VAL 36 2HG2 VAL 36 5.616 12.180 -0.627
257 H LYS 37 H LYS 37 7.346 15.348 3.169
258 HA LYS 37 HA LYS 37 6.236 14.690 5.863
259 HB2 LYS 37 1HB LYS 37 8.520 16.600 5.216
260 HB3 LYS 37 2HB LYS 37 7.714 16.510 6.769
261 HG2 LYS 37 1HG LYS 37 9.347 14.289 5.466
262 HG3 LYS 37 2HG LYS 37 9.876 15.336 6.770
263 HD2 LYS 37 1HD LYS 37 7.642 13.270 6.947
264 HD3 LYS 37 2HD LYS 37 9.275 13.120 7.598
265 HE2 LYS 37 1HE LYS 37 8.861 15.094 9.071
266 HE3 LYS 37 2HE LYS 37 7.207 15.198 8.450
267 HZ1 LYS 37 3HZ LYS 37 8.327 12.875 9.928
268 HZ2 LYS 37 1HZ LYS 37 6.801 12.968 9.348
269 HZ3 LYS 37 2HZ LYS 37 7.286 13.972 10.540
Start of MODEL 18
1 H1 GLY 1 1H GLY 1 -0.998 -28.008 -0.452
2 H2 GLY 1 2H GLY 1 -1.517 -26.464 -0.627
3 H3 GLY 1 3H GLY 1 0.031 -26.763 -0.189
4 HA2 GLY 1 1HA GLY 1 0.501 -27.803 -2.311
5 HA3 GLY 1 2HA GLY 1 -1.171 -27.457 -2.787
6 H SER 2 H SER 2 -0.616 -26.120 -4.523
7 HA SER 2 HA SER 2 1.241 -23.957 -4.427
8 HB2 SER 2 1HB SER 2 -1.150 -24.342 -6.268
9 HB3 SER 2 2HB SER 2 0.236 -23.270 -6.549
10 HG SER 2 HG SER 2 0.464 -25.290 -7.629
11 H SER 3 H SER 3 0.909 -21.681 -4.485
12 HA SER 3 HA SER 3 -1.047 -20.684 -2.593
13 HB2 SER 3 1HB SER 3 0.024 -18.481 -3.092
14 HB3 SER 3 2HB SER 3 1.131 -19.744 -2.534
15 HG SER 3 HG SER 3 1.964 -18.585 -4.342
16 H GLY 4 H GLY 4 -2.617 -19.096 -2.904
17 HA2 GLY 4 1HA GLY 4 -4.151 -19.278 -5.407
18 HA3 GLY 4 2HA GLY 4 -4.636 -18.493 -3.911
19 H SER 5 H SER 5 -5.337 -17.162 -5.999
20 HA SER 5 HA SER 5 -3.441 -15.193 -6.996
21 HB2 SER 5 1HB SER 5 -5.427 -15.863 -8.271
22 HB3 SER 5 2HB SER 5 -6.482 -15.218 -6.998
23 HG SER 5 HG SER 5 -6.074 -13.788 -8.834
24 H SER 6 H SER 6 -3.396 -12.953 -6.537
25 HA SER 6 HA SER 6 -3.873 -12.113 -3.772
26 HB2 SER 6 1HB SER 6 -2.977 -9.944 -4.599
27 HB3 SER 6 2HB SER 6 -1.902 -11.318 -4.903
28 HG SER 6 HG SER 6 -2.117 -9.961 -6.750
29 H GLY 7 H GLY 7 -5.765 -12.135 -6.680
30 HA2 GLY 7 1HA GLY 7 -7.908 -11.406 -7.120
31 HA3 GLY 7 2HA GLY 7 -8.124 -11.313 -5.374
32 H ARG 8 H ARG 8 -8.683 -9.379 -4.636
33 HA ARG 8 HA ARG 8 -8.525 -6.980 -6.318
34 HB2 ARG 8 1HB ARG 8 -10.567 -7.773 -5.061
35 HB3 ARG 8 2HB ARG 8 -9.761 -7.328 -3.555
36 HG2 ARG 8 1HG ARG 8 -9.736 -4.971 -4.216
37 HG3 ARG 8 2HG ARG 8 -10.339 -5.371 -5.831
38 HD2 ARG 8 1HD ARG 8 -11.835 -5.864 -3.220
39 HD3 ARG 8 2HD ARG 8 -12.060 -4.440 -4.229
40 HE ARG 8 HE ARG 8 -13.075 -7.147 -4.703
41 HH11 ARG 8 2HH1 ARG 8 -12.453 -4.086 -6.303
42 HH12 ARG 8 1HH1 ARG 8 -13.568 -4.438 -7.595
43 HH21 ARG 8 2HH2 ARG 8 -14.467 -7.528 -6.384
44 HH22 ARG 8 1HH2 ARG 8 -14.674 -6.336 -7.633
45 H ALA 9 H ALA 9 -6.386 -8.252 -4.111
46 HA ALA 9 HA ALA 9 -5.478 -5.759 -2.916
47 HB1 ALA 9 1HB ALA 9 -4.126 -8.455 -3.149
48 HB2 ALA 9 2HB ALA 9 -3.716 -7.155 -2.016
49 HB3 ALA 9 3HB ALA 9 -5.286 -8.004 -1.868
50 H MET 10 H MET 10 -3.158 -5.213 -3.016
51 HA MET 10 HA MET 10 -1.788 -5.655 -5.601
52 HB2 MET 10 1HB MET 10 -1.732 -3.498 -6.216
53 HB3 MET 10 2HB MET 10 -3.140 -3.338 -5.180
54 HG2 MET 10 1HG MET 10 -0.263 -2.614 -4.527
55 HG3 MET 10 2HG MET 10 -1.591 -1.518 -4.838
56 HE1 MET 10 3HE MET 10 -0.078 -2.255 -0.875
57 HE2 MET 10 1HE MET 10 0.397 -3.428 -2.088
58 HE3 MET 10 2HE MET 10 0.584 -1.693 -2.425
59 H LYS 11 H LYS 11 0.577 -4.962 -5.393
60 HA LYS 11 HA LYS 11 1.609 -5.358 -2.609
61 HB2 LYS 11 1HB LYS 11 2.074 -7.213 -4.280
62 HB3 LYS 11 2HB LYS 11 3.130 -6.072 -5.135
63 HG2 LYS 11 1HG LYS 11 4.504 -5.800 -3.094
64 HG3 LYS 11 2HG LYS 11 3.354 -6.791 -2.177
65 HD2 LYS 11 1HD LYS 11 3.862 -8.701 -3.764
66 HD3 LYS 11 2HD LYS 11 5.178 -7.719 -4.440
67 HE2 LYS 11 1HE LYS 11 6.315 -7.612 -2.333
68 HE3 LYS 11 2HE LYS 11 4.891 -8.183 -1.452
69 HZ1 LYS 11 3HZ LYS 11 5.162 -10.346 -2.440
70 HZ2 LYS 11 1HZ LYS 11 6.540 -9.899 -1.658
71 HZ3 LYS 11 2HZ LYS 11 6.478 -9.863 -3.302
72 H CYS 12 H CYS 12 3.086 -3.947 -1.817
73 HA CYS 12 HA CYS 12 3.063 -1.285 -2.702
74 HB2 CYS 12 1HB CYS 12 3.409 -1.949 -0.418
75 HB3 CYS 12 2HB CYS 12 4.869 -2.852 -0.843
76 HA PRO 13 HA PRO 13 6.200 -1.389 -5.863
77 HB2 PRO 13 1HB PRO 13 6.559 1.331 -6.265
78 HB3 PRO 13 2HB PRO 13 5.204 0.351 -6.891
79 HG2 PRO 13 1HG PRO 13 5.246 2.173 -4.500
80 HG3 PRO 13 2HG PRO 13 3.924 1.872 -5.665
81 HD2 PRO 13 1HD PRO 13 4.038 0.736 -3.170
82 HD3 PRO 13 2HD PRO 13 3.200 0.010 -4.568
83 H TYR 14 H TYR 14 6.851 -0.500 -2.672
84 HA TYR 14 HA TYR 14 9.800 -0.242 -3.216
85 HB2 TYR 14 1HB TYR 14 8.100 1.104 -1.115
86 HB3 TYR 14 2HB TYR 14 9.855 1.137 -1.125
87 HD1 TYR 14 1HD TYR 14 6.806 2.264 -2.892
88 HD2 TYR 14 2HD TYR 14 11.092 2.587 -2.605
89 HE1 TYR 14 1HE TYR 14 6.781 4.215 -4.481
90 HE2 TYR 14 2HE TYR 14 11.055 4.569 -4.115
91 HH TYR 14 HH TYR 14 9.769 5.922 -5.444
92 H CYS 15 H CYS 15 7.351 -1.838 -1.206
93 HA CYS 15 HA CYS 15 9.513 -3.520 -0.054
94 HB2 CYS 15 1HB CYS 15 8.808 -3.318 2.169
95 HB3 CYS 15 2HB CYS 15 9.006 -1.692 1.545
96 H ASP 16 H ASP 16 8.345 -5.262 1.450
97 HA ASP 16 HA ASP 16 7.095 -7.000 -0.507
98 HB2 ASP 16 1HB ASP 16 8.937 -7.635 1.069
99 HB3 ASP 16 2HB ASP 16 7.785 -7.530 2.400
100 H PHE 17 H PHE 17 5.645 -4.735 1.452
101 HA PHE 17 HA PHE 17 3.542 -6.382 2.587
102 HB2 PHE 17 1HB PHE 17 4.721 -4.312 3.578
103 HB3 PHE 17 2HB PHE 17 3.618 -3.365 2.587
104 HD1 PHE 17 2HD PHE 17 3.857 -5.904 5.319
105 HD2 PHE 17 1HD PHE 17 1.305 -3.086 3.289
106 HE1 PHE 17 2HE PHE 17 2.152 -6.156 7.110
107 HE2 PHE 17 1HE PHE 17 -0.394 -3.334 5.078
108 HZ PHE 17 HZ PHE 17 0.024 -4.866 6.994
109 H TYR 18 H TYR 18 1.303 -6.148 2.341
110 HA TYR 18 HA TYR 18 0.342 -5.303 -0.361
111 HB2 TYR 18 1HB TYR 18 -0.605 -7.547 1.456
112 HB3 TYR 18 2HB TYR 18 -1.380 -7.069 -0.042
113 HD1 TYR 18 1HD TYR 18 1.851 -8.394 1.343
114 HD2 TYR 18 2HD TYR 18 -0.720 -8.014 -2.102
115 HE1 TYR 18 1HE TYR 18 3.316 -9.921 0.087
116 HE2 TYR 18 2HE TYR 18 0.722 -9.570 -3.359
117 HH TYR 18 HH TYR 18 2.583 -10.960 -3.277
118 H PHE 19 H PHE 19 -1.644 -4.339 -0.589
119 HA PHE 19 HA PHE 19 -3.374 -3.865 1.758
120 HB2 PHE 19 1HB PHE 19 -2.382 -1.637 -0.060
121 HB3 PHE 19 2HB PHE 19 -3.829 -1.514 0.903
122 HD1 PHE 19 2HD PHE 19 -3.742 -1.502 3.395
123 HD2 PHE 19 1HD PHE 19 -0.174 -1.343 0.980
124 HE1 PHE 19 2HE PHE 19 -2.460 -0.614 5.326
125 HE2 PHE 19 1HE PHE 19 1.100 -0.477 2.901
126 HZ PHE 19 HZ PHE 19 -0.038 -0.096 5.087
127 H MET 20 H MET 20 -5.568 -3.166 1.068
128 HA MET 20 HA MET 20 -6.384 -3.939 -1.667
129 HB2 MET 20 1HB MET 20 -6.318 -5.988 -0.194
130 HB3 MET 20 2HB MET 20 -7.550 -5.258 0.827
131 HG2 MET 20 1HG MET 20 -7.886 -5.764 -2.150
132 HG3 MET 20 2HG MET 20 -8.256 -6.979 -0.941
133 HE1 MET 20 3HE MET 20 -10.245 -6.945 0.716
134 HE2 MET 20 1HE MET 20 -9.769 -5.377 1.412
135 HE3 MET 20 2HE MET 20 -11.431 -5.629 0.844
136 H LYS 21 H LYS 21 -8.087 -2.826 -2.342
137 HA LYS 21 HA LYS 21 -9.372 -1.081 -2.723
138 HB2 LYS 21 1HB LYS 21 -11.456 -0.974 -1.634
139 HB3 LYS 21 2HB LYS 21 -10.964 -2.652 -1.795
140 HG2 LYS 21 1HG LYS 21 -10.367 -2.727 0.606
141 HG3 LYS 21 2HG LYS 21 -10.756 -1.004 0.772
142 HD2 LYS 21 1HD LYS 21 -13.108 -1.486 0.160
143 HD3 LYS 21 2HD LYS 21 -12.709 -3.209 -0.024
144 HE2 LYS 21 1HE LYS 21 -12.002 -3.298 2.356
145 HE3 LYS 21 2HE LYS 21 -12.382 -1.581 2.541
146 HZ1 LYS 21 3HZ LYS 21 -14.710 -2.109 2.046
147 HZ2 LYS 21 1HZ LYS 21 -14.206 -2.981 3.327
148 HZ3 LYS 21 2HZ LYS 21 -14.363 -3.697 1.871
149 H ASN 22 H ASN 22 -7.912 -0.561 0.415
150 HA ASN 22 HA ASN 22 -8.763 2.217 0.573
151 HB2 ASN 22 1HB ASN 22 -6.847 0.531 2.233
152 HB3 ASN 22 2HB ASN 22 -7.252 2.207 2.598
153 HD21 ASN 22 1HD2 ASN 22 -9.583 2.744 3.000
154 HD22 ASN 22 2HD2 ASN 22 -10.564 1.485 3.730
155 H GLY 23 H GLY 23 -7.829 2.416 -1.788
156 HA2 GLY 23 1HA GLY 23 -5.088 2.812 -2.314
157 HA3 GLY 23 2HA GLY 23 -6.414 3.632 -3.143
158 H SER 24 H SER 24 -7.427 5.120 -0.894
159 HA SER 24 HA SER 24 -5.765 7.424 -0.822
160 HB2 SER 24 1HB SER 24 -7.975 6.628 1.113
161 HB3 SER 24 2HB SER 24 -7.349 8.263 0.836
162 HG SER 24 HG SER 24 -9.276 7.866 -0.353
163 H ASP 25 H ASP 25 -5.614 4.562 1.172
164 HA ASP 25 HA ASP 25 -3.838 5.871 3.169
165 HB2 ASP 25 1HB ASP 25 -5.702 4.350 3.898
166 HB3 ASP 25 2HB ASP 25 -4.860 3.018 3.102
167 H LEU 26 H LEU 26 -3.810 3.435 0.544
168 HA LEU 26 HA LEU 26 -1.112 2.596 0.750
169 HB2 LEU 26 1HB LEU 26 -2.759 1.505 -0.707
170 HB3 LEU 26 2HB LEU 26 -2.898 2.965 -1.688
171 HG LEU 26 HG LEU 26 -0.545 2.730 -2.426
172 HD11 LEU 26 1HD1 LEU 26 0.654 0.603 -2.003
173 HD12 LEU 26 2HD1 LEU 26 -0.626 0.128 -0.858
174 HD13 LEU 26 3HD1 LEU 26 0.425 1.520 -0.518
175 HD21 LEU 26 3HD2 LEU 26 -2.276 1.800 -3.821
176 HD22 LEU 26 1HD2 LEU 26 -2.321 0.311 -2.860
177 HD23 LEU 26 2HD2 LEU 26 -0.883 0.702 -3.831
178 H GLN 27 H GLN 27 -2.468 5.488 -0.915
179 HA GLN 27 HA GLN 27 -0.056 6.484 -2.023
180 HB2 GLN 27 1HB GLN 27 -2.491 7.908 -0.867
181 HB3 GLN 27 2HB GLN 27 -1.163 8.767 -1.640
182 HG2 GLN 27 1HG GLN 27 -2.873 6.651 -2.998
183 HG3 GLN 27 2HG GLN 27 -3.039 8.394 -3.179
184 HE21 GLN 27 1HE2 GLN 27 -0.819 9.525 -3.884
185 HE22 GLN 27 2HE2 GLN 27 0.024 8.660 -5.162
186 H ARG 28 H ARG 28 -1.265 6.815 1.319
187 HA ARG 28 HA ARG 28 0.858 8.572 2.235
188 HB2 ARG 28 1HB ARG 28 -0.598 6.659 4.072
189 HB3 ARG 28 2HB ARG 28 0.023 8.265 4.414
190 HG2 ARG 28 1HG ARG 28 -2.420 7.546 2.766
191 HG3 ARG 28 2HG ARG 28 -2.421 8.234 4.382
192 HD2 ARG 28 1HD ARG 28 -1.581 10.342 3.586
193 HD3 ARG 28 2HD ARG 28 -1.263 9.681 1.969
194 HE ARG 28 HE ARG 28 -3.879 9.169 2.123
195 HH11 ARG 28 2HH1 ARG 28 -2.245 12.192 2.859
196 HH12 ARG 28 1HH1 ARG 28 -3.636 13.146 2.426
197 HH21 ARG 28 2HH2 ARG 28 -5.600 10.437 1.624
198 HH22 ARG 28 1HH2 ARG 28 -5.491 12.171 1.742
199 H HIS 29 H HIS 29 0.437 5.036 2.352
200 HA HIS 29 HA HIS 29 2.897 4.409 3.659
201 HB2 HIS 29 1HB HIS 29 1.022 2.842 3.409
202 HB3 HIS 29 2HB HIS 29 1.238 2.816 1.662
203 HD1 HIS 29 1HD HIS 29 2.920 1.505 4.856
204 HD2 HIS 29 2HD HIS 29 3.181 1.295 0.665
205 HE1 HIS 29 1HE HIS 29 4.559 -0.370 4.361
206 H ILE 30 H ILE 30 2.193 4.923 0.183
207 HA ILE 30 HA ILE 30 4.899 4.291 -0.669
208 HB ILE 30 HB ILE 30 2.516 5.624 -2.000
209 HG12 ILE 30 1HG1 ILE 30 3.915 2.955 -2.522
210 HG13 ILE 30 2HG1 ILE 30 2.501 3.129 -1.482
211 HG21 ILE 30 1HG2 ILE 30 4.460 6.650 -3.021
212 HG22 ILE 30 2HG2 ILE 30 5.273 5.077 -3.145
213 HG23 ILE 30 3HG2 ILE 30 3.851 5.449 -4.148
214 HD11 ILE 30 3HD1 ILE 30 1.698 2.418 -3.607
215 HD12 ILE 30 1HD1 ILE 30 1.255 4.139 -3.411
216 HD13 ILE 30 2HD1 ILE 30 2.614 3.664 -4.464
217 H TRP 31 H TRP 31 3.169 7.419 -0.329
218 HA TRP 31 HA TRP 31 5.359 9.126 -0.807
219 HB2 TRP 31 1HB TRP 31 2.950 9.399 1.009
220 HB3 TRP 31 2HB TRP 31 4.097 10.700 0.765
221 HD1 TRP 31 1HD TRP 31 4.494 10.158 -2.428
222 HE1 TRP 31 1HE TRP 31 2.720 10.973 -4.027
223 HE3 TRP 31 3HE TRP 31 0.609 10.649 0.881
224 HZ2 TRP 31 2HZ TRP 31 -0.059 11.818 -3.920
225 HZ3 TRP 31 3HZ TRP 31 -1.603 11.481 0.091
226 HH2 TRP 31 2HH TRP 31 -1.947 12.062 -2.296
227 H ALA 32 H ALA 32 4.709 7.210 2.082
228 HA ALA 32 HA ALA 32 6.708 8.466 3.751
229 HB1 ALA 32 1HB ALA 32 5.447 5.691 3.873
230 HB2 ALA 32 2HB ALA 32 6.378 6.466 5.173
231 HB3 ALA 32 3HB ALA 32 4.826 7.161 4.662
232 H HIS 33 H HIS 33 6.841 5.651 1.492
233 HA HIS 33 HA HIS 33 9.631 5.032 2.011
234 HB2 HIS 33 1HB HIS 33 7.834 4.460 -0.378
235 HB3 HIS 33 2HB HIS 33 9.482 3.887 -0.213
236 HD1 HIS 33 1HD HIS 33 9.830 2.389 2.269
237 HD2 HIS 33 2HD HIS 33 6.153 2.608 0.250
238 HE1 HIS 33 1HE HIS 33 8.546 0.310 2.949
239 H GLU 34 H GLU 34 7.965 7.235 -0.254
240 HA GLU 34 HA GLU 34 10.413 8.221 -1.475
241 HB2 GLU 34 1HB GLU 34 7.593 9.356 -1.389
242 HB3 GLU 34 2HB GLU 34 8.927 10.045 -2.320
243 HG2 GLU 34 1HG GLU 34 9.190 7.828 -3.489
244 HG3 GLU 34 2HG GLU 34 7.698 7.290 -2.709
245 H GLY 35 H GLY 35 9.405 8.628 1.693
246 HA2 GLY 35 1HA GLY 35 10.347 9.859 3.378
247 HA3 GLY 35 2HA GLY 35 11.440 10.602 2.208
248 H VAL 36 H VAL 36 7.970 10.909 1.727
249 HA VAL 36 HA VAL 36 8.085 13.806 1.790
250 HB VAL 36 HB VAL 36 5.682 11.956 1.647
251 HG11 VAL 36 1HG1 VAL 36 5.955 14.902 0.916
252 HG12 VAL 36 2HG1 VAL 36 4.549 13.878 0.556
253 HG13 VAL 36 3HG1 VAL 36 4.968 14.221 2.232
254 HG21 VAL 36 3HG2 VAL 36 5.764 12.358 -0.796
255 HG22 VAL 36 1HG2 VAL 36 7.266 13.291 -0.596
256 HG23 VAL 36 2HG2 VAL 36 7.231 11.551 -0.244
257 H LYS 37 H LYS 37 7.399 15.230 3.301
258 HA LYS 37 HA LYS 37 5.898 14.440 5.680
259 HB2 LYS 37 1HB LYS 37 7.579 15.594 7.208
260 HB3 LYS 37 2HB LYS 37 7.908 13.967 6.681
261 HG2 LYS 37 1HG LYS 37 9.925 15.368 6.772
262 HG3 LYS 37 2HG LYS 37 9.651 14.623 5.209
263 HD2 LYS 37 1HD LYS 37 10.503 16.907 4.977
264 HD3 LYS 37 2HD LYS 37 8.917 16.725 4.254
265 HE2 LYS 37 1HE LYS 37 8.195 17.557 6.764
266 HE3 LYS 37 2HE LYS 37 9.786 18.317 6.653
267 HZ1 LYS 37 3HZ LYS 37 7.560 18.593 4.708
268 HZ2 LYS 37 1HZ LYS 37 9.012 19.355 4.555
269 HZ3 LYS 37 2HZ LYS 37 8.004 19.752 5.784
Start of MODEL 19
1 H1 GLY 1 1H GLY 1 0.272 -28.547 2.245
2 H2 GLY 1 2H GLY 1 -0.700 -29.779 2.718
3 H3 GLY 1 3H GLY 1 -1.259 -28.238 2.732
4 HA2 GLY 1 1HA GLY 1 -0.508 -29.758 0.321
5 HA3 GLY 1 2HA GLY 1 -2.169 -29.442 0.854
6 H SER 2 H SER 2 -1.156 -28.704 -1.687
7 HA SER 2 HA SER 2 -0.523 -25.856 -1.735
8 HB2 SER 2 1HB SER 2 -0.683 -26.149 -4.192
9 HB3 SER 2 2HB SER 2 0.432 -27.282 -3.411
10 HG SER 2 HG SER 2 -0.935 -28.319 -4.948
11 H SER 3 H SER 3 -1.782 -24.291 -2.967
12 HA SER 3 HA SER 3 -4.686 -24.678 -3.210
13 HB2 SER 3 1HB SER 3 -4.214 -23.965 -0.812
14 HB3 SER 3 2HB SER 3 -3.614 -22.430 -1.467
15 HG SER 3 HG SER 3 -5.861 -22.381 -0.879
16 H GLY 4 H GLY 4 -5.719 -22.667 -4.133
17 HA2 GLY 4 1HA GLY 4 -4.346 -21.884 -6.553
18 HA3 GLY 4 2HA GLY 4 -5.920 -21.312 -6.009
19 H SER 5 H SER 5 -3.861 -19.780 -7.304
20 HA SER 5 HA SER 5 -2.601 -18.042 -5.309
21 HB2 SER 5 1HB SER 5 -1.589 -16.976 -7.302
22 HB3 SER 5 2HB SER 5 -1.323 -18.725 -7.224
23 HG SER 5 HG SER 5 -1.969 -18.026 -9.325
24 H SER 6 H SER 6 -5.675 -18.017 -6.684
25 HA SER 6 HA SER 6 -6.109 -15.331 -7.394
26 HB2 SER 6 1HB SER 6 -8.108 -17.282 -6.194
27 HB3 SER 6 2HB SER 6 -8.487 -15.830 -7.139
28 HG SER 6 HG SER 6 -8.520 -17.736 -8.427
29 H GLY 7 H GLY 7 -6.953 -13.531 -6.383
30 HA2 GLY 7 1HA GLY 7 -7.951 -13.345 -3.728
31 HA3 GLY 7 2HA GLY 7 -6.232 -12.942 -3.704
32 H ARG 8 H ARG 8 -7.794 -11.022 -2.881
33 HA ARG 8 HA ARG 8 -8.312 -9.103 -5.125
34 HB2 ARG 8 1HB ARG 8 -9.464 -9.176 -2.310
35 HB3 ARG 8 2HB ARG 8 -9.868 -7.993 -3.560
36 HG2 ARG 8 1HG ARG 8 -10.740 -9.823 -5.009
37 HG3 ARG 8 2HG ARG 8 -10.451 -10.983 -3.704
38 HD2 ARG 8 1HD ARG 8 -12.301 -8.562 -3.554
39 HD3 ARG 8 2HD ARG 8 -12.804 -10.223 -3.820
40 HE ARG 8 HE ARG 8 -12.171 -10.829 -1.593
41 HH11 ARG 8 2HH1 ARG 8 -12.024 -7.349 -2.038
42 HH12 ARG 8 1HH1 ARG 8 -12.061 -7.048 -0.322
43 HH21 ARG 8 2HH2 ARG 8 -12.209 -10.360 0.567
44 HH22 ARG 8 1HH2 ARG 8 -12.155 -8.708 1.103
45 H ALA 9 H ALA 9 -5.799 -9.640 -3.251
46 HA ALA 9 HA ALA 9 -5.439 -7.105 -1.914
47 HB1 ALA 9 1HB ALA 9 -3.500 -9.386 -2.431
48 HB2 ALA 9 2HB ALA 9 -3.286 -8.066 -1.256
49 HB3 ALA 9 3HB ALA 9 -4.600 -9.243 -1.036
50 H MET 10 H MET 10 -3.651 -5.778 -2.065
51 HA MET 10 HA MET 10 -2.641 -5.090 -4.792
52 HB2 MET 10 1HB MET 10 -4.321 -3.609 -3.503
53 HB3 MET 10 2HB MET 10 -3.048 -3.318 -2.334
54 HG2 MET 10 1HG MET 10 -3.053 -2.623 -5.280
55 HG3 MET 10 2HG MET 10 -3.340 -1.521 -3.943
56 HE1 MET 10 3HE MET 10 0.320 -1.363 -2.328
57 HE2 MET 10 1HE MET 10 -1.389 -1.583 -1.886
58 HE3 MET 10 2HE MET 10 -0.329 -2.984 -2.174
59 H LYS 11 H LYS 11 -0.362 -4.837 -4.961
60 HA LYS 11 HA LYS 11 1.298 -5.314 -2.507
61 HB2 LYS 11 1HB LYS 11 1.362 -7.031 -4.397
62 HB3 LYS 11 2HB LYS 11 2.151 -5.798 -5.380
63 HG2 LYS 11 1HG LYS 11 3.975 -5.615 -3.678
64 HG3 LYS 11 2HG LYS 11 3.155 -6.834 -2.687
65 HD2 LYS 11 1HD LYS 11 3.383 -8.461 -4.619
66 HD3 LYS 11 2HD LYS 11 4.269 -7.214 -5.504
67 HE2 LYS 11 1HE LYS 11 5.893 -8.678 -4.551
68 HE3 LYS 11 2HE LYS 11 5.969 -7.159 -3.650
69 HZ1 LYS 11 3HZ LYS 11 5.980 -9.154 -2.200
70 HZ2 LYS 11 1HZ LYS 11 4.490 -9.579 -2.745
71 HZ3 LYS 11 2HZ LYS 11 4.700 -8.212 -1.867
72 H CYS 12 H CYS 12 2.671 -3.794 -1.846
73 HA CYS 12 HA CYS 12 2.549 -1.141 -2.660
74 HB2 CYS 12 1HB CYS 12 3.236 -1.887 -0.479
75 HB3 CYS 12 2HB CYS 12 4.618 -2.761 -1.144
76 HA PRO 13 HA PRO 13 5.233 -1.026 -6.201
77 HB2 PRO 13 1HB PRO 13 5.474 1.692 -6.580
78 HB3 PRO 13 2HB PRO 13 4.030 0.717 -6.975
79 HG2 PRO 13 1HG PRO 13 4.493 2.493 -4.598
80 HG3 PRO 13 2HG PRO 13 2.983 2.187 -5.505
81 HD2 PRO 13 1HD PRO 13 3.640 1.008 -3.087
82 HD3 PRO 13 2HD PRO 13 2.472 0.347 -4.272
83 H TYR 14 H TYR 14 6.333 -0.231 -3.112
84 HA TYR 14 HA TYR 14 9.168 0.116 -4.070
85 HB2 TYR 14 1HB TYR 14 7.763 1.286 -1.669
86 HB3 TYR 14 2HB TYR 14 9.504 1.314 -1.878
87 HD1 TYR 14 1HD TYR 14 6.296 2.537 -3.263
88 HD2 TYR 14 2HD TYR 14 10.582 2.934 -3.275
89 HE1 TYR 14 1HE TYR 14 6.109 4.638 -4.635
90 HE2 TYR 14 2HE TYR 14 10.392 5.062 -4.557
91 HH TYR 14 HH TYR 14 8.983 6.524 -5.619
92 H CYS 15 H CYS 15 7.056 -1.617 -1.803
93 HA CYS 15 HA CYS 15 9.361 -3.356 -1.098
94 HB2 CYS 15 1HB CYS 15 9.004 -3.288 1.207
95 HB3 CYS 15 2HB CYS 15 9.073 -1.622 0.666
96 H ASP 16 H ASP 16 8.400 -5.179 0.465
97 HA ASP 16 HA ASP 16 6.938 -6.842 -1.404
98 HB2 ASP 16 1HB ASP 16 8.906 -7.549 -0.034
99 HB3 ASP 16 2HB ASP 16 7.921 -7.403 1.422
100 H PHE 17 H PHE 17 5.880 -4.824 1.174
101 HA PHE 17 HA PHE 17 3.925 -6.512 2.357
102 HB2 PHE 17 1HB PHE 17 5.133 -4.598 3.408
103 HB3 PHE 17 2HB PHE 17 4.151 -3.492 2.456
104 HD1 PHE 17 1HD PHE 17 3.742 -6.412 4.825
105 HD2 PHE 17 2HD PHE 17 2.260 -2.581 3.511
106 HE1 PHE 17 1HE PHE 17 2.026 -6.454 6.622
107 HE2 PHE 17 2HE PHE 17 0.549 -2.625 5.306
108 HZ PHE 17 HZ PHE 17 0.428 -4.561 6.866
109 H TYR 18 H TYR 18 1.708 -6.447 2.454
110 HA TYR 18 HA TYR 18 0.337 -5.634 -0.037
111 HB2 TYR 18 1HB TYR 18 -0.327 -7.756 2.031
112 HB3 TYR 18 2HB TYR 18 -1.307 -7.391 0.614
113 HD1 TYR 18 2HD TYR 18 -0.188 -7.480 -1.694
114 HD2 TYR 18 1HD TYR 18 1.474 -9.331 1.825
115 HE1 TYR 18 2HE TYR 18 1.267 -8.827 -3.122
116 HE2 TYR 18 1HE TYR 18 2.905 -10.756 0.394
117 HH TYR 18 HH TYR 18 3.398 -11.419 -1.758
118 H PHE 19 H PHE 19 -1.725 -4.864 -0.109
119 HA PHE 19 HA PHE 19 -3.084 -3.978 2.393
120 HB2 PHE 19 1HB PHE 19 -2.579 -2.294 -0.091
121 HB3 PHE 19 2HB PHE 19 -3.850 -1.936 1.055
122 HD1 PHE 19 1HD PHE 19 -0.147 -2.150 0.669
123 HD2 PHE 19 2HD PHE 19 -3.439 -0.855 3.145
124 HE1 PHE 19 1HE PHE 19 1.424 -0.877 2.104
125 HE2 PHE 19 2HE PHE 19 -1.861 0.411 4.580
126 HZ PHE 19 HZ PHE 19 0.574 0.368 4.084
127 H MET 20 H MET 20 -5.334 -4.011 2.310
128 HA MET 20 HA MET 20 -6.648 -5.478 0.104
129 HB2 MET 20 1HB MET 20 -7.244 -5.824 2.501
130 HB3 MET 20 2HB MET 20 -7.782 -4.141 2.592
131 HG2 MET 20 1HG MET 20 -9.493 -4.637 0.822
132 HG3 MET 20 2HG MET 20 -8.931 -6.310 0.790
133 HE1 MET 20 3HE MET 20 -10.908 -3.525 2.649
134 HE2 MET 20 1HE MET 20 -11.333 -4.275 4.202
135 HE3 MET 20 2HE MET 20 -9.654 -3.804 3.879
136 H LYS 21 H LYS 21 -6.224 -2.188 1.225
137 HA LYS 21 HA LYS 21 -8.198 -0.980 -0.602
138 HB2 LYS 21 1HB LYS 21 -6.330 0.120 1.540
139 HB3 LYS 21 2HB LYS 21 -7.338 1.146 0.522
140 HG2 LYS 21 1HG LYS 21 -9.379 0.056 1.337
141 HG3 LYS 21 2HG LYS 21 -8.421 -1.019 2.381
142 HD2 LYS 21 1HD LYS 21 -7.571 0.862 3.657
143 HD3 LYS 21 2HD LYS 21 -8.291 2.019 2.517
144 HE2 LYS 21 1HE LYS 21 -10.546 1.288 3.140
145 HE3 LYS 21 2HE LYS 21 -9.877 0.115 4.287
146 HZ1 LYS 21 3HZ LYS 21 -8.985 1.916 5.581
147 HZ2 LYS 21 1HZ LYS 21 -10.540 2.314 5.284
148 HZ3 LYS 21 2HZ LYS 21 -9.321 3.038 4.447
149 H ASN 22 H ASN 22 -7.650 0.876 -1.821
150 HA ASN 22 HA ASN 22 -4.905 1.207 -2.848
151 HB2 ASN 22 1HB ASN 22 -6.232 -0.330 -4.395
152 HB3 ASN 22 2HB ASN 22 -7.351 1.005 -4.667
153 HD21 ASN 22 1HD2 ASN 22 -6.559 0.337 -6.954
154 HD22 ASN 22 2HD2 ASN 22 -5.149 1.215 -7.531
155 H GLY 23 H GLY 23 -4.851 3.397 -4.103
156 HA2 GLY 23 1HA GLY 23 -5.324 5.675 -4.238
157 HA3 GLY 23 2HA GLY 23 -6.888 5.383 -3.488
158 H SER 24 H SER 24 -6.920 6.975 -1.958
159 HA SER 24 HA SER 24 -4.865 8.298 -0.807
160 HB2 SER 24 1HB SER 24 -7.533 7.790 0.552
161 HB3 SER 24 2HB SER 24 -6.448 9.170 0.814
162 HG SER 24 HG SER 24 -8.148 9.668 -0.655
163 H ASP 25 H ASP 25 -6.341 5.406 0.806
164 HA ASP 25 HA ASP 25 -4.693 5.791 3.185
165 HB2 ASP 25 1HB ASP 25 -6.500 3.551 2.245
166 HB3 ASP 25 2HB ASP 25 -5.528 3.414 3.707
167 H LEU 26 H LEU 26 -4.249 3.968 0.216
168 HA LEU 26 HA LEU 26 -1.831 2.567 1.133
169 HB2 LEU 26 1HB LEU 26 -3.120 1.559 -0.619
170 HB3 LEU 26 2HB LEU 26 -3.176 3.057 -1.546
171 HG LEU 26 HG LEU 26 -0.766 2.918 -2.002
172 HD11 LEU 26 1HD1 LEU 26 0.028 1.636 -0.046
173 HD12 LEU 26 2HD1 LEU 26 0.473 0.829 -1.546
174 HD13 LEU 26 3HD1 LEU 26 -0.905 0.230 -0.581
175 HD21 LEU 26 3HD2 LEU 26 -2.360 0.438 -2.718
176 HD22 LEU 26 1HD2 LEU 26 -0.891 1.008 -3.550
177 HD23 LEU 26 2HD2 LEU 26 -2.358 1.993 -3.579
178 H GLN 27 H GLN 27 -2.635 5.620 -0.533
179 HA GLN 27 HA GLN 27 -0.050 6.343 -1.318
180 HB2 GLN 27 1HB GLN 27 -2.336 7.368 -1.896
181 HB3 GLN 27 2HB GLN 27 -2.142 8.356 -0.436
182 HG2 GLN 27 1HG GLN 27 -0.038 9.279 -1.356
183 HG3 GLN 27 2HG GLN 27 -0.148 8.197 -2.742
184 HE21 GLN 27 1HE2 GLN 27 0.068 10.378 -3.896
185 HE22 GLN 27 2HE2 GLN 27 -1.440 11.214 -4.231
186 H ARG 28 H ARG 28 -1.495 6.629 1.894
187 HA ARG 28 HA ARG 28 0.435 8.236 3.245
188 HB2 ARG 28 1HB ARG 28 -0.901 5.754 4.403
189 HB3 ARG 28 2HB ARG 28 -0.287 7.158 5.277
190 HG2 ARG 28 1HG ARG 28 -2.072 8.555 4.170
191 HG3 ARG 28 2HG ARG 28 -2.691 7.072 3.425
192 HD2 ARG 28 1HD ARG 28 -2.880 6.089 5.766
193 HD3 ARG 28 2HD ARG 28 -2.611 7.715 6.392
194 HE ARG 28 HE ARG 28 -5.036 6.629 5.137
195 HH11 ARG 28 2HH1 ARG 28 -3.498 9.714 5.845
196 HH12 ARG 28 1HH1 ARG 28 -5.008 10.564 5.655
197 HH21 ARG 28 2HH2 ARG 28 -6.773 7.678 4.899
198 HH22 ARG 28 1HH2 ARG 28 -6.881 9.425 5.139
199 H HIS 29 H HIS 29 0.481 4.755 2.589
200 HA HIS 29 HA HIS 29 3.036 4.257 3.903
201 HB2 HIS 29 1HB HIS 29 1.283 2.578 3.811
202 HB3 HIS 29 2HB HIS 29 1.274 2.605 2.049
203 HD1 HIS 29 1HD HIS 29 3.338 1.209 4.955
204 HD2 HIS 29 2HD HIS 29 3.184 1.278 0.754
205 HE1 HIS 29 1HE HIS 29 4.958 -0.583 4.178
206 H ILE 30 H ILE 30 2.019 4.920 0.554
207 HA ILE 30 HA ILE 30 4.623 4.369 -0.606
208 HB ILE 30 HB ILE 30 2.175 5.882 -1.574
209 HG12 ILE 30 1HG1 ILE 30 3.413 3.217 -2.422
210 HG13 ILE 30 2HG1 ILE 30 2.072 3.364 -1.285
211 HG21 ILE 30 1HG2 ILE 30 3.293 5.884 -3.832
212 HG22 ILE 30 2HG2 ILE 30 4.085 6.921 -2.654
213 HG23 ILE 30 3HG2 ILE 30 4.777 5.322 -3.025
214 HD11 ILE 30 3HD1 ILE 30 2.022 4.152 -4.213
215 HD12 ILE 30 1HD1 ILE 30 1.143 2.843 -3.420
216 HD13 ILE 30 2HD1 ILE 30 0.747 4.548 -3.032
217 H TRP 31 H TRP 31 2.994 7.428 0.258
218 HA TRP 31 HA TRP 31 5.095 9.245 -0.188
219 HB2 TRP 31 1HB TRP 31 2.881 9.093 1.850
220 HB3 TRP 31 2HB TRP 31 4.047 10.396 1.927
221 HD1 TRP 31 1HD TRP 31 4.245 10.831 -1.305
222 HE1 TRP 31 1HE TRP 31 2.409 12.157 -2.429
223 HE3 TRP 31 3HE TRP 31 0.572 10.268 2.230
224 HZ2 TRP 31 2HZ TRP 31 -0.326 12.961 -1.863
225 HZ3 TRP 31 3HZ TRP 31 -1.656 11.317 1.894
226 HH2 TRP 31 2HH TRP 31 -2.114 12.667 -0.142
227 H ALA 32 H ALA 32 4.839 6.877 2.419
228 HA ALA 32 HA ALA 32 6.963 7.982 4.056
229 HB1 ALA 32 1HB ALA 32 5.153 6.492 4.903
230 HB2 ALA 32 2HB ALA 32 5.845 5.151 3.965
231 HB3 ALA 32 3HB ALA 32 6.779 5.882 5.280
232 H HIS 33 H HIS 33 6.895 5.554 1.409
233 HA HIS 33 HA HIS 33 9.748 4.954 1.548
234 HB2 HIS 33 1HB HIS 33 7.689 4.554 -0.658
235 HB3 HIS 33 2HB HIS 33 9.354 3.997 -0.717
236 HD1 HIS 33 1HD HIS 33 9.990 2.280 1.524
237 HD2 HIS 33 2HD HIS 33 6.060 2.689 0.099
238 HE1 HIS 33 1HE HIS 33 8.776 0.177 2.250
239 H GLU 34 H GLU 34 7.749 7.313 -0.244
240 HA GLU 34 HA GLU 34 9.986 8.524 -1.646
241 HB2 GLU 34 1HB GLU 34 7.213 9.591 -0.994
242 HB3 GLU 34 2HB GLU 34 8.389 10.397 -2.035
243 HG2 GLU 34 1HG GLU 34 8.444 8.347 -3.490
244 HG3 GLU 34 2HG GLU 34 7.100 7.690 -2.551
245 H GLY 35 H GLY 35 9.422 8.491 1.658
246 HA2 GLY 35 1HA GLY 35 10.664 9.461 3.320
247 HA3 GLY 35 2HA GLY 35 11.512 10.437 2.120
248 H VAL 36 H VAL 36 8.015 10.694 2.225
249 HA VAL 36 HA VAL 36 8.113 13.521 2.891
250 HB VAL 36 HB VAL 36 5.720 11.662 2.713
251 HG11 VAL 36 1HG1 VAL 36 5.891 14.704 2.585
252 HG12 VAL 36 2HG1 VAL 36 4.438 13.738 2.247
253 HG13 VAL 36 3HG1 VAL 36 5.122 13.740 3.870
254 HG21 VAL 36 3HG2 VAL 36 6.959 13.479 0.595
255 HG22 VAL 36 1HG2 VAL 36 6.942 11.705 0.561
256 HG23 VAL 36 2HG2 VAL 36 5.428 12.595 0.427
257 H LYS 37 H LYS 37 7.722 14.534 4.780
258 HA LYS 37 HA LYS 37 6.833 13.082 7.214
259 HB2 LYS 37 1HB LYS 37 9.377 14.730 6.922
260 HB3 LYS 37 2HB LYS 37 8.679 14.334 8.480
261 HG2 LYS 37 1HG LYS 37 9.459 12.105 6.557
262 HG3 LYS 37 2HG LYS 37 10.662 12.948 7.505
263 HD2 LYS 37 1HD LYS 37 10.059 10.932 8.660
264 HD3 LYS 37 2HD LYS 37 9.590 12.339 9.597
265 HE2 LYS 37 1HE LYS 37 7.877 10.691 9.815
266 HE3 LYS 37 2HE LYS 37 7.223 12.034 8.883
267 HZ1 LYS 37 3HZ LYS 37 6.663 9.852 7.925
268 HZ2 LYS 37 1HZ LYS 37 8.240 9.489 7.716
269 HZ3 LYS 37 2HZ LYS 37 7.552 10.709 6.860
Start of MODEL 20
1 H1 GLY 1 1H GLY 1 -3.652 -30.463 1.833
2 H2 GLY 1 2H GLY 1 -4.504 -31.752 1.286
3 H3 GLY 1 3H GLY 1 -5.280 -30.497 2.000
4 HA2 GLY 1 1HA GLY 1 -3.830 -30.374 -0.565
5 HA3 GLY 1 2HA GLY 1 -5.594 -30.419 -0.388
6 H SER 2 H SER 2 -4.554 -28.384 -1.813
7 HA SER 2 HA SER 2 -3.862 -26.020 -0.365
8 HB2 SER 2 1HB SER 2 -5.103 -26.283 -3.129
9 HB3 SER 2 2HB SER 2 -4.270 -24.856 -2.479
10 HG SER 2 HG SER 2 -2.887 -26.163 -3.780
11 H SER 3 H SER 3 -5.023 -24.137 0.106
12 HA SER 3 HA SER 3 -7.657 -24.465 1.135
13 HB2 SER 3 1HB SER 3 -6.142 -21.891 0.568
14 HB3 SER 3 2HB SER 3 -7.546 -22.074 1.637
15 HG SER 3 HG SER 3 -5.552 -22.130 2.792
16 H GLY 4 H GLY 4 -9.658 -23.777 0.487
17 HA2 GLY 4 1HA GLY 4 -10.148 -23.422 -2.371
18 HA3 GLY 4 2HA GLY 4 -11.344 -23.572 -1.085
19 H SER 5 H SER 5 -9.398 -21.120 -0.034
20 HA SER 5 HA SER 5 -11.365 -19.116 -0.392
21 HB2 SER 5 1HB SER 5 -8.457 -18.759 0.416
22 HB3 SER 5 2HB SER 5 -9.794 -17.638 0.733
23 HG SER 5 HG SER 5 -9.359 -18.971 2.547
24 H SER 6 H SER 6 -11.417 -17.185 -1.498
25 HA SER 6 HA SER 6 -9.454 -16.641 -3.676
26 HB2 SER 6 1HB SER 6 -12.481 -16.710 -3.993
27 HB3 SER 6 2HB SER 6 -11.343 -16.072 -5.192
28 HG SER 6 HG SER 6 -11.950 -18.256 -5.611
29 H GLY 7 H GLY 7 -9.312 -14.468 -4.327
30 HA2 GLY 7 1HA GLY 7 -10.922 -12.298 -3.491
31 HA3 GLY 7 2HA GLY 7 -9.621 -12.479 -2.310
32 H ARG 8 H ARG 8 -9.363 -10.203 -3.284
33 HA ARG 8 HA ARG 8 -7.081 -10.278 -5.177
34 HB2 ARG 8 1HB ARG 8 -9.507 -8.448 -5.498
35 HB3 ARG 8 2HB ARG 8 -7.977 -8.206 -6.330
36 HG2 ARG 8 1HG ARG 8 -9.793 -10.627 -6.689
37 HG3 ARG 8 2HG ARG 8 -9.681 -9.239 -7.768
38 HD2 ARG 8 1HD ARG 8 -7.300 -9.731 -8.209
39 HD3 ARG 8 2HD ARG 8 -7.373 -11.144 -7.162
40 HE ARG 8 HE ARG 8 -8.498 -10.846 -9.865
41 HH11 ARG 8 2HH1 ARG 8 -8.509 -12.902 -7.004
42 HH12 ARG 8 1HH1 ARG 8 -9.035 -14.291 -7.925
43 HH21 ARG 8 2HH2 ARG 8 -9.194 -12.651 -10.936
44 HH22 ARG 8 1HH2 ARG 8 -9.433 -14.143 -10.074
45 H ALA 9 H ALA 9 -5.574 -8.723 -4.878
46 HA ALA 9 HA ALA 9 -5.938 -6.474 -3.048
47 HB1 ALA 9 1HB ALA 9 -5.369 -8.313 -1.472
48 HB2 ALA 9 2HB ALA 9 -3.903 -8.666 -2.427
49 HB3 ALA 9 3HB ALA 9 -4.065 -7.116 -1.583
50 H MET 10 H MET 10 -3.715 -5.355 -2.785
51 HA MET 10 HA MET 10 -2.145 -5.416 -5.325
52 HB2 MET 10 1HB MET 10 -2.184 -3.136 -5.470
53 HB3 MET 10 2HB MET 10 -3.773 -3.450 -4.774
54 HG2 MET 10 1HG MET 10 -3.065 -1.685 -3.494
55 HG3 MET 10 2HG MET 10 -2.599 -3.032 -2.471
56 HE1 MET 10 3HE MET 10 -0.913 -1.930 -1.020
57 HE2 MET 10 1HE MET 10 -0.033 -3.358 -1.604
58 HE3 MET 10 2HE MET 10 0.778 -1.787 -1.503
59 H LYS 11 H LYS 11 0.113 -4.851 -5.101
60 HA LYS 11 HA LYS 11 1.257 -5.205 -2.359
61 HB2 LYS 11 1HB LYS 11 1.625 -7.150 -3.952
62 HB3 LYS 11 2HB LYS 11 2.640 -6.068 -4.921
63 HG2 LYS 11 1HG LYS 11 4.105 -5.680 -2.946
64 HG3 LYS 11 2HG LYS 11 3.020 -6.671 -1.953
65 HD2 LYS 11 1HD LYS 11 3.523 -8.609 -3.515
66 HD3 LYS 11 2HD LYS 11 4.780 -7.604 -4.265
67 HE2 LYS 11 1HE LYS 11 5.990 -7.398 -2.207
68 HE3 LYS 11 2HE LYS 11 4.622 -7.985 -1.254
69 HZ1 LYS 11 3HZ LYS 11 6.299 -9.662 -1.454
70 HZ2 LYS 11 1HZ LYS 11 6.206 -9.675 -3.098
71 HZ3 LYS 11 2HZ LYS 11 4.922 -10.169 -2.190
72 H CYS 12 H CYS 12 2.775 -3.811 -1.688
73 HA CYS 12 HA CYS 12 2.743 -1.194 -2.604
74 HB2 CYS 12 1HB CYS 12 3.277 -1.881 -0.351
75 HB3 CYS 12 2HB CYS 12 4.723 -2.736 -0.898
76 HA PRO 13 HA PRO 13 5.623 -1.230 -5.998
77 HB2 PRO 13 1HB PRO 13 5.973 1.503 -6.336
78 HB3 PRO 13 2HB PRO 13 4.569 0.551 -6.898
79 HG2 PRO 13 1HG PRO 13 4.798 2.268 -4.433
80 HG3 PRO 13 2HG PRO 13 3.401 2.053 -5.528
81 HD2 PRO 13 1HD PRO 13 3.601 0.800 -3.119
82 HD3 PRO 13 2HD PRO 13 2.732 0.113 -4.520
83 H TYR 14 H TYR 14 6.500 -0.422 -2.835
84 HA TYR 14 HA TYR 14 9.407 -0.206 -3.577
85 HB2 TYR 14 1HB TYR 14 7.893 1.143 -1.341
86 HB3 TYR 14 2HB TYR 14 9.639 1.170 -1.509
87 HD1 TYR 14 1HD TYR 14 6.447 2.410 -2.887
88 HD2 TYR 14 2HD TYR 14 10.747 2.537 -3.189
89 HE1 TYR 14 1HE TYR 14 6.292 4.383 -4.425
90 HE2 TYR 14 2HE TYR 14 10.585 4.533 -4.682
91 HH TYR 14 HH TYR 14 7.434 5.875 -5.725
92 H CYS 15 H CYS 15 7.070 -1.740 -1.371
93 HA CYS 15 HA CYS 15 9.284 -3.443 -0.341
94 HB2 CYS 15 1HB CYS 15 8.790 -3.112 1.916
95 HB3 CYS 15 2HB CYS 15 8.917 -1.516 1.201
96 H ASP 16 H ASP 16 8.066 -4.986 1.447
97 HA ASP 16 HA ASP 16 6.772 -6.867 -0.361
98 HB2 ASP 16 1HB ASP 16 8.694 -7.395 1.170
99 HB3 ASP 16 2HB ASP 16 7.584 -7.246 2.533
100 H PHE 17 H PHE 17 5.423 -4.513 1.618
101 HA PHE 17 HA PHE 17 3.302 -6.103 2.816
102 HB2 PHE 17 1HB PHE 17 3.924 -3.150 2.747
103 HB3 PHE 17 2HB PHE 17 2.411 -3.751 3.394
104 HD1 PHE 17 1HD PHE 17 6.121 -3.911 3.863
105 HD2 PHE 17 2HD PHE 17 2.245 -4.804 5.533
106 HE1 PHE 17 1HE PHE 17 7.179 -4.417 6.049
107 HE2 PHE 17 2HE PHE 17 3.309 -5.312 7.718
108 HZ PHE 17 HZ PHE 17 5.775 -5.119 7.981
109 H TYR 18 H TYR 18 1.132 -6.030 2.519
110 HA TYR 18 HA TYR 18 0.131 -5.291 -0.189
111 HB2 TYR 18 1HB TYR 18 -0.757 -7.477 1.726
112 HB3 TYR 18 2HB TYR 18 -1.551 -7.084 0.211
113 HD1 TYR 18 1HD TYR 18 1.607 -8.408 1.695
114 HD2 TYR 18 2HD TYR 18 -0.730 -7.870 -1.890
115 HE1 TYR 18 1HE TYR 18 3.123 -9.934 0.480
116 HE2 TYR 18 2HE TYR 18 0.770 -9.403 -3.108
117 HH TYR 18 HH TYR 18 2.545 -10.888 -2.939
118 H PHE 19 H PHE 19 -1.931 -4.498 -0.442
119 HA PHE 19 HA PHE 19 -3.600 -3.828 1.925
120 HB2 PHE 19 1HB PHE 19 -2.879 -1.838 -0.267
121 HB3 PHE 19 2HB PHE 19 -4.257 -1.678 0.770
122 HD1 PHE 19 1HD PHE 19 -0.493 -2.099 1.151
123 HD2 PHE 19 2HD PHE 19 -4.131 -0.275 2.590
124 HE1 PHE 19 1HE PHE 19 0.819 -0.737 2.739
125 HE2 PHE 19 2HE PHE 19 -2.804 1.085 4.181
126 HZ PHE 19 HZ PHE 19 -0.332 0.867 4.255
127 H MET 20 H MET 20 -5.856 -3.909 1.453
128 HA MET 20 HA MET 20 -6.588 -5.179 -1.123
129 HB2 MET 20 1HB MET 20 -7.599 -6.007 0.989
130 HB3 MET 20 2HB MET 20 -8.394 -4.426 1.189
131 HG2 MET 20 1HG MET 20 -9.528 -4.723 -0.979
132 HG3 MET 20 2HG MET 20 -8.710 -6.270 -1.211
133 HE1 MET 20 3HE MET 20 -12.459 -7.203 -0.860
134 HE2 MET 20 1HE MET 20 -11.758 -5.749 -1.610
135 HE3 MET 20 2HE MET 20 -10.984 -7.330 -1.846
136 H LYS 21 H LYS 21 -7.241 -4.069 -2.801
137 HA LYS 21 HA LYS 21 -7.646 -2.392 -4.231
138 HB2 LYS 21 1HB LYS 21 -9.441 -1.326 -2.026
139 HB3 LYS 21 2HB LYS 21 -9.449 -0.759 -3.693
140 HG2 LYS 21 1HG LYS 21 -10.019 -3.023 -4.503
141 HG3 LYS 21 2HG LYS 21 -10.094 -3.612 -2.842
142 HD2 LYS 21 1HD LYS 21 -11.853 -1.411 -4.006
143 HD3 LYS 21 2HD LYS 21 -12.322 -3.105 -3.798
144 HE2 LYS 21 1HE LYS 21 -11.965 -2.904 -1.339
145 HE3 LYS 21 2HE LYS 21 -11.542 -1.199 -1.545
146 HZ1 LYS 21 3HZ LYS 21 -13.874 -1.458 -0.930
147 HZ2 LYS 21 1HZ LYS 21 -14.176 -2.388 -2.234
148 HZ3 LYS 21 2HZ LYS 21 -13.780 -0.814 -2.426
149 H ASN 22 H ASN 22 -7.780 0.206 -4.407
150 HA ASN 22 HA ASN 22 -5.279 1.299 -3.246
151 HB2 ASN 22 1HB ASN 22 -5.860 1.530 -5.701
152 HB3 ASN 22 2HB ASN 22 -7.218 2.555 -5.231
153 HD21 ASN 22 1HD2 ASN 22 -5.986 4.056 -6.742
154 HD22 ASN 22 2HD2 ASN 22 -4.719 5.030 -6.008
155 H GLY 23 H GLY 23 -5.335 3.422 -2.126
156 HA2 GLY 23 1HA GLY 23 -7.701 4.652 -1.163
157 HA3 GLY 23 2HA GLY 23 -7.190 3.478 0.049
158 H SER 24 H SER 24 -7.331 5.980 0.883
159 HA SER 24 HA SER 24 -5.097 7.688 0.451
160 HB2 SER 24 1HB SER 24 -5.882 8.823 2.526
161 HB3 SER 24 2HB SER 24 -7.157 8.551 1.326
162 HG SER 24 HG SER 24 -7.872 7.974 3.411
163 H ASP 25 H ASP 25 -5.575 5.126 2.926
164 HA ASP 25 HA ASP 25 -3.158 5.811 4.315
165 HB2 ASP 25 1HB ASP 25 -5.220 4.474 5.136
166 HB3 ASP 25 2HB ASP 25 -4.429 3.069 4.413
167 H LEU 26 H LEU 26 -3.720 3.749 1.511
168 HA LEU 26 HA LEU 26 -1.024 2.633 1.450
169 HB2 LEU 26 1HB LEU 26 -2.792 1.494 0.247
170 HB3 LEU 26 2HB LEU 26 -3.172 2.949 -0.677
171 HG LEU 26 HG LEU 26 -0.965 2.858 -1.792
172 HD11 LEU 26 1HD1 LEU 26 0.398 1.709 -0.096
173 HD12 LEU 26 2HD1 LEU 26 0.417 0.799 -1.607
174 HD13 LEU 26 3HD1 LEU 26 -0.604 0.257 -0.258
175 HD21 LEU 26 3HD2 LEU 26 -2.501 0.250 -1.967
176 HD22 LEU 26 1HD2 LEU 26 -1.388 0.925 -3.186
177 HD23 LEU 26 2HD2 LEU 26 -2.900 1.763 -2.813
178 H GLN 27 H GLN 27 -2.640 5.543 0.055
179 HA GLN 27 HA GLN 27 -0.386 6.503 -1.377
180 HB2 GLN 27 1HB GLN 27 -2.720 7.266 -1.650
181 HB3 GLN 27 2HB GLN 27 -2.645 8.084 -0.085
182 HG2 GLN 27 1HG GLN 27 -0.903 9.573 -0.887
183 HG3 GLN 27 2HG GLN 27 -0.792 8.689 -2.418
184 HE21 GLN 27 1HE2 GLN 27 -3.097 10.637 -0.412
185 HE22 GLN 27 2HE2 GLN 27 -4.016 11.204 -1.799
186 H ARG 28 H ARG 28 -1.320 7.079 2.058
187 HA ARG 28 HA ARG 28 0.952 8.664 2.840
188 HB2 ARG 28 1HB ARG 28 -0.580 6.562 4.441
189 HB3 ARG 28 2HB ARG 28 0.557 7.725 5.120
190 HG2 ARG 28 1HG ARG 28 -0.865 9.580 4.491
191 HG3 ARG 28 2HG ARG 28 -1.990 8.502 3.664
192 HD2 ARG 28 1HD ARG 28 -2.226 7.255 5.897
193 HD3 ARG 28 2HD ARG 28 -1.414 8.631 6.645
194 HE ARG 28 HE ARG 28 -3.281 10.042 5.617
195 HH11 ARG 28 2HH1 ARG 28 -3.965 6.684 6.585
196 HH12 ARG 28 1HH1 ARG 28 -5.666 7.040 6.713
197 HH21 ARG 28 2HH2 ARG 28 -5.451 10.337 5.836
198 HH22 ARG 28 1HH2 ARG 28 -6.472 9.015 6.315
199 H HIS 29 H HIS 29 0.507 5.145 2.992
200 HA HIS 29 HA HIS 29 3.074 4.431 3.924
201 HB2 HIS 29 1HB HIS 29 1.168 2.908 3.881
202 HB3 HIS 29 2HB HIS 29 1.154 2.906 2.120
203 HD1 HIS 29 1HD HIS 29 3.019 1.330 5.042
204 HD2 HIS 29 2HD HIS 29 3.076 1.507 0.841
205 HE1 HIS 29 1HE HIS 29 4.602 -0.510 4.296
206 H ILE 30 H ILE 30 2.055 4.965 0.531
207 HA ILE 30 HA ILE 30 4.652 4.296 -0.592
208 HB ILE 30 HB ILE 30 2.162 5.660 -1.654
209 HG12 ILE 30 1HG1 ILE 30 3.540 3.009 -2.331
210 HG13 ILE 30 2HG1 ILE 30 2.193 3.167 -1.203
211 HG21 ILE 30 1HG2 ILE 30 4.012 6.724 -2.825
212 HG22 ILE 30 2HG2 ILE 30 4.787 5.149 -3.087
213 HG23 ILE 30 3HG2 ILE 30 3.272 5.572 -3.921
214 HD11 ILE 30 3HD1 ILE 30 0.849 4.217 -3.056
215 HD12 ILE 30 1HD1 ILE 30 2.145 3.715 -4.179
216 HD13 ILE 30 2HD1 ILE 30 1.249 2.487 -3.275
217 H TRP 31 H TRP 31 3.016 7.449 -0.055
218 HA TRP 31 HA TRP 31 5.118 9.176 -0.733
219 HB2 TRP 31 1HB TRP 31 3.021 9.342 1.447
220 HB3 TRP 31 2HB TRP 31 4.149 10.640 1.120
221 HD1 TRP 31 1HD TRP 31 3.801 9.908 -2.205
222 HE1 TRP 31 1HE TRP 31 1.960 11.182 -3.358
223 HE3 TRP 31 3HE TRP 31 1.033 11.186 1.919
224 HZ2 TRP 31 2HZ TRP 31 -0.426 12.679 -2.611
225 HZ3 TRP 31 3HZ TRP 31 -1.023 12.563 1.659
226 HH2 TRP 31 2HH TRP 31 -1.750 13.324 -0.591
227 H ALA 32 H ALA 32 4.813 7.246 2.221
228 HA ALA 32 HA ALA 32 7.006 8.405 3.675
229 HB1 ALA 32 1HB ALA 32 5.209 7.058 4.704
230 HB2 ALA 32 2HB ALA 32 5.802 5.614 3.850
231 HB3 ALA 32 3HB ALA 32 6.816 6.400 5.073
232 H HIS 33 H HIS 33 6.905 5.740 1.270
233 HA HIS 33 HA HIS 33 9.749 5.114 1.494
234 HB2 HIS 33 1HB HIS 33 7.733 4.510 -0.699
235 HB3 HIS 33 2HB HIS 33 9.378 3.899 -0.620
236 HD1 HIS 33 1HD HIS 33 9.827 2.454 1.892
237 HD2 HIS 33 2HD HIS 33 6.051 2.749 0.088
238 HE1 HIS 33 1HE HIS 33 8.510 0.449 2.719
239 H GLU 34 H GLU 34 7.794 7.400 -0.415
240 HA GLU 34 HA GLU 34 10.015 8.246 -2.113
241 HB2 GLU 34 1HB GLU 34 7.291 9.485 -1.562
242 HB3 GLU 34 2HB GLU 34 8.468 10.119 -2.712
243 HG2 GLU 34 1HG GLU 34 8.470 7.887 -3.875
244 HG3 GLU 34 2HG GLU 34 7.112 7.403 -2.855
245 H GLY 35 H GLY 35 9.569 8.750 1.171
246 HA2 GLY 35 1HA GLY 35 10.782 10.034 2.650
247 HA3 GLY 35 2HA GLY 35 11.703 10.699 1.297
248 H VAL 36 H VAL 36 8.179 10.889 1.742
249 HA VAL 36 HA VAL 36 7.865 13.601 1.172
250 HB VAL 36 HB VAL 36 6.119 11.893 1.147
251 HG11 VAL 36 1HG1 VAL 36 5.995 12.182 4.181
252 HG12 VAL 36 2HG1 VAL 36 4.886 11.247 3.169
253 HG13 VAL 36 3HG1 VAL 36 6.577 10.754 3.300
254 HG21 VAL 36 3HG2 VAL 36 4.256 13.238 1.802
255 HG22 VAL 36 1HG2 VAL 36 5.262 14.237 2.866
256 HG23 VAL 36 2HG2 VAL 36 5.502 14.277 1.100
257 H LYS 37 H LYS 37 7.468 15.471 2.334
258 HA LYS 37 HA LYS 37 8.436 15.631 5.162
259 HB2 LYS 37 1HB LYS 37 9.119 17.506 2.859
260 HB3 LYS 37 2HB LYS 37 9.516 17.776 4.560
261 HG2 LYS 37 1HG LYS 37 10.893 15.698 4.572
262 HG3 LYS 37 2HG LYS 37 10.532 15.463 2.849
263 HD2 LYS 37 1HD LYS 37 11.590 17.646 2.325
264 HD3 LYS 37 2HD LYS 37 11.991 17.856 4.046
265 HE2 LYS 37 1HE LYS 37 13.327 15.765 3.987
266 HE3 LYS 37 2HE LYS 37 12.911 15.536 2.284
267 HZ1 LYS 37 3HZ LYS 37 14.079 17.619 1.788
268 HZ2 LYS 37 1HZ LYS 37 15.091 16.577 2.531
269 HZ3 LYS 37 2HZ LYS 37 14.462 17.832 3.363