NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
|
|
8038 |
1ldl   |
cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name
Start of MODEL 1
Raw file had 310 H/Q atoms
Start of MODEL 1
1 1H ALA 1 2H ALA 1 16.138 5.321 -4.144
2 2H ALA 1 1H ALA 1 15.694 3.793 -3.550
3 3H ALA 1 3H ALA 1 14.718 4.571 -4.697
4 HA ALA 1 HA ALA 1 14.007 6.198 -3.176
5 1HB ALA 1 3HB ALA 1 14.122 3.425 -1.969
6 2HB ALA 1 2HB ALA 1 13.206 4.743 -1.237
7 3HB ALA 1 1HB ALA 1 12.785 4.167 -2.850
8 H VAL 2 H VAL 2 14.877 7.731 -1.890
9 HA VAL 2 HA VAL 2 16.347 7.105 0.515
10 HB VAL 2 HB VAL 2 18.138 6.677 -1.130
11 1HG1 VAL 2 3HG1 VAL 2 17.133 8.315 -2.825
12 2HG1 VAL 2 2HG1 VAL 2 17.931 9.591 -1.906
13 3HG1 VAL 2 1HG1 VAL 2 18.889 8.325 -2.674
14 1HG2 VAL 2 2HG2 VAL 2 18.361 8.118 1.147
15 2HG2 VAL 2 1HG2 VAL 2 19.746 7.735 0.122
16 3HG2 VAL 2 3HG2 VAL 2 18.961 9.308 -0.009
17 H GLY 3 H GLY 3 15.674 9.559 -1.961
18 1HA GLY 3 2HA GLY 3 15.916 11.807 -0.159
19 2HA GLY 3 1HA GLY 3 15.150 11.844 -1.748
20 H ASP 4 H ASP 4 13.226 12.875 -1.228
21 HA ASP 4 HA ASP 4 11.534 11.563 0.864
22 1HB ASP 4 2HB ASP 4 10.322 13.761 0.951
23 2HB ASP 4 1HB ASP 4 12.008 13.871 1.455
24 H ARG 5 H ARG 5 11.842 10.879 -2.064
25 HA ARG 5 HA ARG 5 9.052 11.432 -2.953
26 1HB ARG 5 2HB ARG 5 10.004 10.603 -5.207
27 2HB ARG 5 1HB ARG 5 10.470 12.208 -4.672
28 1HG ARG 5 2HG ARG 5 12.604 11.345 -3.846
29 2HG ARG 5 1HG ARG 5 12.122 9.697 -4.250
30 1HD ARG 5 2HD ARG 5 12.454 11.966 -6.234
31 2HD ARG 5 1HD ARG 5 13.593 10.642 -5.994
32 HE ARG 5 HE ARG 5 11.620 9.131 -6.687
33 1HH1 ARG 5 1HH2 ARG 5 9.530 11.106 -7.123
34 2HH1 ARG 5 2HH2 ARG 5 9.686 11.509 -8.800
35 1HH2 ARG 5 2HH1 ARG 5 12.889 10.214 -9.085
36 2HH2 ARG 5 1HH1 ARG 5 11.588 11.003 -9.912
37 H CYS 6 H CYS 6 8.137 9.552 -4.293
38 HA CYS 6 HA CYS 6 8.768 6.999 -2.880
39 1HB CYS 6 2HB CYS 6 6.232 8.180 -3.983
40 2HB CYS 6 1HB CYS 6 6.382 6.441 -3.773
41 H GLU 7 H GLU 7 7.887 5.086 -4.397
42 HA GLU 7 HA GLU 7 9.426 5.336 -6.918
43 1HB GLU 7 2HB GLU 7 8.194 2.933 -5.534
44 2HB GLU 7 1HB GLU 7 9.136 2.858 -7.023
45 1HG GLU 7 2HG GLU 7 10.975 4.096 -5.695
46 2HG GLU 7 1HG GLU 7 10.065 3.627 -4.259
47 H ARG 8 H ARG 8 8.205 3.616 -8.613
48 HA ARG 8 HA ARG 8 5.624 4.988 -9.164
49 1HB ARG 8 2HB ARG 8 7.385 3.253 -10.924
50 2HB ARG 8 1HB ARG 8 5.876 4.003 -11.442
51 1HG ARG 8 2HG ARG 8 6.992 6.214 -10.573
52 2HG ARG 8 1HG ARG 8 8.495 5.307 -10.756
53 1HD ARG 8 2HD ARG 8 7.430 4.707 -13.122
54 2HD ARG 8 1HD ARG 8 6.561 6.218 -12.848
55 HE ARG 8 HE ARG 8 8.739 7.364 -12.743
56 1HH1 ARG 8 1HH2 ARG 8 10.815 5.645 -12.069
57 2HH1 ARG 8 2HH2 ARG 8 11.441 5.025 -13.560
58 1HH2 ARG 8 2HH1 ARG 8 8.632 5.886 -15.403
59 2HH2 ARG 8 1HH1 ARG 8 10.205 5.161 -15.448
60 H ASN 9 H ASN 9 7.008 1.829 -8.504
61 HA ASN 9 HA ASN 9 4.320 0.589 -8.783
62 1HB ASN 9 2HB ASN 9 5.653 -1.566 -8.593
63 2HB ASN 9 1HB ASN 9 5.956 -0.624 -10.045
64 1HD2 ASN 9 2HD2 ASN 9 8.962 -1.292 -7.405
65 2HD2 ASN 9 1HD2 ASN 9 7.406 -1.916 -7.147
66 H GLU 10 H GLU 10 4.004 1.922 -6.670
67 HA GLU 10 HA GLU 10 4.442 0.046 -4.411
68 1HB GLU 10 2HB GLU 10 4.799 2.359 -3.049
69 2HB GLU 10 1HB GLU 10 6.139 1.403 -3.671
70 1HG GLU 10 2HG GLU 10 6.426 3.767 -4.262
71 2HG GLU 10 1HG GLU 10 6.172 2.795 -5.712
72 H PHE 11 H PHE 11 3.205 1.299 -2.385
73 HA PHE 11 HA PHE 11 0.623 2.321 -3.417
74 1HB PHE 11 2HB PHE 11 -0.027 0.158 -3.048
75 2HB PHE 11 1HB PHE 11 1.248 -0.112 -1.894
76 HD1 PHE 11 HD2 PHE 11 -1.988 1.755 -2.244
77 HD2 PHE 11 HD1 PHE 11 0.748 -0.278 0.367
78 HE1 PHE 11 HE2 PHE 11 -3.606 1.972 -0.373
79 HE2 PHE 11 HE1 PHE 11 -0.865 -0.064 2.231
80 HZ PHE 11 HZ PHE 11 -3.042 1.054 1.867
81 H GLN 12 H GLN 12 -0.190 4.017 -2.187
82 HA GLN 12 HA GLN 12 1.508 5.020 -0.004
83 1HB GLN 12 2HB GLN 12 0.462 6.500 -1.803
84 2HB GLN 12 1HB GLN 12 -1.084 6.223 -0.999
85 1HG GLN 12 2HG GLN 12 0.291 6.931 1.158
86 2HG GLN 12 1HG GLN 12 1.310 7.741 -0.030
87 1HE2 GLN 12 2HE2 GLN 12 -1.421 10.100 0.988
88 2HE2 GLN 12 1HE2 GLN 12 -0.186 9.284 1.818
89 H CYS 13 H CYS 13 1.171 3.820 1.847
90 HA CYS 13 HA CYS 13 -1.246 2.602 2.662
91 1HB CYS 13 2HB CYS 13 1.365 2.990 3.765
92 2HB CYS 13 1HB CYS 13 0.209 3.471 4.987
93 H GLN 14 H GLN 14 -2.381 3.262 4.778
94 HA GLN 14 HA GLN 14 -3.665 5.781 4.378
95 1HB GLN 14 2HB GLN 14 -4.526 3.606 5.555
96 2HB GLN 14 1HB GLN 14 -3.761 4.295 6.987
97 1HG GLN 14 2HG GLN 14 -5.078 6.475 6.200
98 2HG GLN 14 1HG GLN 14 -6.125 5.276 5.441
99 1HE2 GLN 14 1HE2 GLN 14 -5.157 6.666 8.501
100 2HE2 GLN 14 2HE2 GLN 14 -6.187 5.733 9.475
101 H ASP 15 H ASP 15 -0.767 4.848 6.063
102 HA ASP 15 HA ASP 15 -0.813 7.028 7.948
103 1HB ASP 15 2HB ASP 15 1.432 6.341 8.503
104 2HB ASP 15 1HB ASP 15 0.441 4.913 8.320
105 H GLY 16 H GLY 16 0.864 6.383 4.916
106 1HA GLY 16 2HA GLY 16 0.816 8.442 3.376
107 2HA GLY 16 1HA GLY 16 1.538 9.260 4.750
108 H LYS 17 H LYS 17 2.379 5.973 3.783
109 HA LYS 17 HA LYS 17 5.006 6.978 2.881
110 1HB LYS 17 2HB LYS 17 4.469 5.313 5.124
111 2HB LYS 17 1HB LYS 17 5.215 4.288 3.902
112 1HG LYS 17 2HG LYS 17 7.216 5.398 3.995
113 2HG LYS 17 1HG LYS 17 6.457 6.958 4.317
114 1HD LYS 17 2HD LYS 17 5.910 6.128 6.632
115 2HD LYS 17 1HD LYS 17 6.878 4.695 6.287
116 1HE LYS 17 2HE LYS 17 8.861 6.052 5.939
117 2HE LYS 17 1HE LYS 17 7.920 7.535 6.100
118 1HZ LYS 17 1HZ LYS 17 8.253 5.485 8.224
119 2HZ LYS 17 3HZ LYS 17 9.095 6.954 8.148
120 3HZ LYS 17 2HZ LYS 17 7.412 6.954 8.369
121 H CYS 18 H CYS 18 6.116 5.173 1.495
122 HA CYS 18 HA CYS 18 3.997 3.918 -0.192
123 1HB CYS 18 2HB CYS 18 6.132 3.868 -1.856
124 2HB CYS 18 1HB CYS 18 4.951 5.159 -1.841
125 H ILE 19 H ILE 19 4.223 1.782 -0.755
126 HA ILE 19 HA ILE 19 6.617 0.350 0.300
127 HB ILE 19 HB ILE 19 5.168 -1.427 1.204
128 1HG1 ILE 19 2HG1 ILE 19 2.698 0.154 1.235
129 2HG1 ILE 19 1HG1 ILE 19 3.197 -0.253 -0.406
130 1HG2 ILE 19 2HG2 ILE 19 5.568 1.175 2.258
131 2HG2 ILE 19 1HG2 ILE 19 3.917 0.720 2.672
132 3HG2 ILE 19 3HG2 ILE 19 5.261 -0.312 3.141
133 1HD1 ILE 19 3HD1 ILE 19 3.380 -2.443 1.591
134 2HD1 ILE 19 2HD1 ILE 19 1.752 -1.933 1.146
135 3HD1 ILE 19 1HD1 ILE 19 2.871 -2.498 -0.096
136 H SER 20 H SER 20 6.687 -1.934 -0.617
137 HA SER 20 HA SER 20 6.414 -1.770 -3.490
138 1HB SER 20 2HB SER 20 6.528 -4.496 -2.306
139 2HB SER 20 1HB SER 20 7.549 -3.764 -3.535
140 HG SER 20 HG SER 20 8.462 -2.496 -1.780
141 H TYR 21 H TYR 21 4.823 -2.531 -4.840
142 HA TYR 21 HA TYR 21 2.167 -2.697 -3.952
143 1HB TYR 21 2HB TYR 21 3.064 -2.257 -6.300
144 2HB TYR 21 1HB TYR 21 3.157 -4.004 -6.435
145 HD1 TYR 21 HD1 TYR 21 0.747 -1.341 -5.380
146 HD2 TYR 21 HD2 TYR 21 1.303 -5.179 -7.226
147 HE1 TYR 21 HE1 TYR 21 -1.675 -1.438 -5.907
148 HE2 TYR 21 HE2 TYR 21 -1.119 -5.275 -7.756
149 HH TYR 21 HH TYR 21 -3.041 -2.960 -7.990
150 H LYS 22 H LYS 22 4.619 -5.131 -4.004
151 HA LYS 22 HA LYS 22 2.901 -7.437 -4.080
152 1HB LYS 22 2HB LYS 22 5.600 -7.257 -2.817
153 2HB LYS 22 1HB LYS 22 4.825 -8.699 -3.422
154 1HG LYS 22 2HG LYS 22 5.271 -8.165 -5.595
155 2HG LYS 22 1HG LYS 22 5.259 -6.435 -5.321
156 1HD LYS 22 2HD LYS 22 7.532 -6.777 -5.578
157 2HD LYS 22 1HD LYS 22 7.390 -7.026 -3.837
158 1HE LYS 22 2HE LYS 22 7.585 -9.336 -4.011
159 2HE LYS 22 1HE LYS 22 6.980 -9.365 -5.667
160 1HZ LYS 22 3HZ LYS 22 9.075 -8.167 -6.289
161 2HZ LYS 22 2HZ LYS 22 9.650 -8.495 -4.725
162 3HZ LYS 22 1HZ LYS 22 9.282 -9.772 -5.782
163 H TRP 23 H TRP 23 4.241 -5.468 -1.485
164 HA TRP 23 HA TRP 23 3.168 -7.165 0.592
165 1HB TRP 23 2HB TRP 23 4.176 -4.370 1.035
166 2HB TRP 23 1HB TRP 23 4.281 -5.762 2.101
167 HD1 TRP 23 HD1 TRP 23 6.665 -3.817 0.657
168 HE1 TRP 23 HE1 TRP 23 8.659 -5.092 -0.373
169 HE3 TRP 23 HE3 TRP 23 4.624 -8.485 0.242
170 HZ2 TRP 23 HZ2 TRP 23 9.309 -7.736 -1.238
171 HZ3 TRP 23 HZ3 TRP 23 5.953 -10.360 -0.683
172 HH2 TRP 23 HH2 TRP 23 8.291 -9.992 -1.424
173 H VAL 24 H VAL 24 1.577 -5.147 -1.455
174 HA VAL 24 HA VAL 24 -0.081 -3.747 0.543
175 HB VAL 24 HB VAL 24 -0.580 -3.938 -2.439
176 1HG1 VAL 24 2HG1 VAL 24 -1.315 -1.976 -0.253
177 2HG1 VAL 24 1HG1 VAL 24 -1.509 -1.622 -1.970
178 3HG1 VAL 24 3HG1 VAL 24 -2.413 -2.946 -1.235
179 1HG2 VAL 24 3HG2 VAL 24 1.772 -3.193 -1.907
180 2HG2 VAL 24 2HG2 VAL 24 0.796 -1.967 -2.716
181 3HG2 VAL 24 1HG2 VAL 24 1.077 -1.865 -0.979
182 H CYS 25 H CYS 25 -2.152 -4.310 1.091
183 HA CYS 25 HA CYS 25 -3.750 -5.888 1.744
184 1HB CYS 25 2HB CYS 25 -5.305 -6.387 -0.074
185 2HB CYS 25 1HB CYS 25 -4.754 -4.719 -0.140
186 H ASP 26 H ASP 26 -1.693 -7.345 2.197
187 HA ASP 26 HA ASP 26 -1.853 -9.835 0.570
188 1HB ASP 26 2HB ASP 26 0.374 -8.615 1.308
189 2HB ASP 26 1HB ASP 26 0.081 -9.451 2.833
190 H GLY 27 H GLY 27 -2.291 -8.545 3.825
191 1HA GLY 27 2HA GLY 27 -4.092 -9.446 5.212
192 2HA GLY 27 1HA GLY 27 -3.736 -11.018 4.522
193 H SER 28 H SER 28 -1.301 -8.741 5.704
194 HA SER 28 HA SER 28 -0.978 -10.148 8.230
195 1HB SER 28 2HB SER 28 0.110 -11.650 6.466
196 2HB SER 28 1HB SER 28 1.309 -10.375 6.270
197 HG SER 28 HG SER 28 2.223 -11.343 7.904
198 H ALA 29 H ALA 29 -1.308 -7.434 7.253
199 HA ALA 29 HA ALA 29 -0.397 -5.267 7.497
200 1HB ALA 29 1HB ALA 29 0.503 -6.724 9.990
201 2HB ALA 29 3HB ALA 29 0.618 -4.975 9.790
202 3HB ALA 29 2HB ALA 29 -0.960 -5.762 9.778
203 H GLU 30 H GLU 30 1.188 -5.955 5.612
204 HA GLU 30 HA GLU 30 3.976 -5.698 6.625
205 1HB GLU 30 2HB GLU 30 4.594 -6.792 4.415
206 2HB GLU 30 1HB GLU 30 3.834 -7.843 5.601
207 1HG GLU 30 2HG GLU 30 1.760 -7.807 4.440
208 2HG GLU 30 1HG GLU 30 2.241 -6.417 3.464
209 H CYS 31 H CYS 31 2.320 -3.471 6.178
210 HA CYS 31 HA CYS 31 3.003 -2.330 3.533
211 1HB CYS 31 2HB CYS 31 0.812 -1.918 4.793
212 2HB CYS 31 1HB CYS 31 1.746 -0.936 5.903
213 H GLN 32 H GLN 32 5.213 -2.989 5.498
214 HA GLN 32 HA GLN 32 7.123 -1.980 6.400
215 1HB GLN 32 2HB GLN 32 7.152 -1.146 3.979
216 2HB GLN 32 1HB GLN 32 6.428 0.347 4.580
217 1HG GLN 32 2HG GLN 32 8.603 0.990 4.848
218 2HG GLN 32 1HG GLN 32 8.480 0.065 6.345
219 1HE2 GLN 32 2HE2 GLN 32 11.023 -1.180 3.498
220 2HE2 GLN 32 1HE2 GLN 32 10.256 0.334 3.451
221 H ASP 33 H ASP 33 4.400 -1.495 7.539
222 HA ASP 33 HA ASP 33 5.059 0.366 9.610
223 1HB ASP 33 2HB ASP 33 4.568 1.928 7.648
224 2HB ASP 33 1HB ASP 33 2.908 1.334 7.706
225 H GLY 34 H GLY 34 2.061 -0.536 7.822
226 1HA GLY 34 2HA GLY 34 0.972 -2.615 8.945
227 2HA GLY 34 1HA GLY 34 0.983 -1.578 10.358
228 H SER 35 H SER 35 0.061 -1.007 6.917
229 HA SER 35 HA SER 35 -2.709 -0.486 7.793
230 1HB SER 35 2HB SER 35 -1.988 1.764 6.163
231 2HB SER 35 1HB SER 35 -2.601 1.750 7.811
232 HG SER 35 HG SER 35 -0.157 2.332 6.952
233 H ASP 36 H ASP 36 -0.948 -2.096 5.658
234 HA ASP 36 HA ASP 36 -2.174 -1.247 3.132
235 1HB ASP 36 2HB ASP 36 -1.089 -3.330 2.266
236 2HB ASP 36 1HB ASP 36 0.026 -2.222 3.024
237 H GLU 37 H GLU 37 -3.484 -2.827 5.751
238 HA GLU 37 HA GLU 37 -4.840 -5.009 4.407
239 1HB GLU 37 2HB GLU 37 -4.837 -3.789 7.106
240 2HB GLU 37 1HB GLU 37 -6.353 -4.554 6.626
241 1HG GLU 37 2HG GLU 37 -3.850 -6.061 6.050
242 2HG GLU 37 1HG GLU 37 -4.336 -5.943 7.742
243 H SER 38 H SER 38 -5.328 -1.636 4.325
244 HA SER 38 HA SER 38 -8.135 -1.403 4.342
245 1HB SER 38 2HB SER 38 -6.173 0.383 4.080
246 2HB SER 38 1HB SER 38 -6.563 0.201 2.371
247 HG SER 38 HG SER 38 -8.436 1.138 2.700
248 H GLN 39 H GLN 39 -9.271 -2.971 3.215
249 HA GLN 39 HA GLN 39 -8.555 -4.019 0.637
250 1HB GLN 39 2HB GLN 39 -11.049 -3.975 2.316
251 2HB GLN 39 1HB GLN 39 -11.156 -4.508 0.640
252 1HG GLN 39 2HG GLN 39 -9.479 -6.221 1.015
253 2HG GLN 39 1HG GLN 39 -9.184 -5.626 2.649
254 1HE2 GLN 39 2HE2 GLN 39 -12.326 -8.099 1.945
255 2HE2 GLN 39 1HE2 GLN 39 -11.294 -7.609 0.690
256 H GLU 40 H GLU 40 -10.683 -1.325 1.616
257 HA GLU 40 HA GLU 40 -11.805 -0.656 -0.852
258 1HB GLU 40 2HB GLU 40 -10.972 0.917 1.550
259 2HB GLU 40 1HB GLU 40 -11.495 1.783 0.108
260 1HG GLU 40 2HG GLU 40 -13.140 -0.506 1.147
261 2HG GLU 40 1HG GLU 40 -13.278 1.078 1.906
262 H THR 41 H THR 41 -8.507 -0.285 0.175
263 HA THR 41 HA THR 41 -7.836 1.506 -2.017
264 HB THR 41 HB THR 41 -6.807 1.246 0.474
265 HG1 THR 41 HG1 THR 41 -6.179 2.973 -0.565
266 1HG2 THR 41 3HG2 THR 41 -5.780 -1.027 -0.265
267 2HG2 THR 41 2HG2 THR 41 -4.634 -0.047 -1.176
268 3HG2 THR 41 1HG2 THR 41 -4.736 0.119 0.576
269 H CYS 42 H CYS 42 -7.449 -1.880 -1.132
270 HA CYS 42 HA CYS 42 -6.120 -2.439 -3.726
271 1HB CYS 42 2HB CYS 42 -5.575 -3.244 -1.164
272 2HB CYS 42 1HB CYS 42 -6.521 -4.594 -1.756
273 H LEU 43 H LEU 43 -8.443 -4.214 -1.654
274 HA LEU 43 HA LEU 43 -10.229 -5.565 -2.196
275 1HB LEU 43 2HB LEU 43 -10.604 -2.941 -3.492
276 2HB LEU 43 1HB LEU 43 -11.621 -4.226 -4.148
277 HG LEU 43 HG LEU 43 -11.316 -3.828 -1.190
278 1HD1 LEU 43 3HD1 LEU 43 -12.189 -1.762 -2.608
279 2HD1 LEU 43 2HD1 LEU 43 -13.672 -2.714 -2.681
280 3HD1 LEU 43 1HD1 LEU 43 -13.011 -2.229 -1.120
281 1HD2 LEU 43 3HD2 LEU 43 -12.387 -5.882 -2.490
282 2HD2 LEU 43 2HD2 LEU 43 -13.134 -5.263 -1.017
283 3HD2 LEU 43 1HD2 LEU 43 -13.777 -4.802 -2.593
284 H SER 44 H SER 44 -10.120 -4.371 -5.541
285 HA SER 44 HA SER 44 -9.665 -7.179 -6.401
286 1HB SER 44 2HB SER 44 -11.618 -5.736 -7.255
287 2HB SER 44 1HB SER 44 -10.408 -4.856 -8.183
288 HG SER 44 HG SER 44 -9.884 -6.746 -9.241
289 H VAL 45 H VAL 45 -7.831 -7.782 -7.469
290 HA VAL 45 HA VAL 45 -6.042 -5.711 -8.605
291 HB VAL 45 HB VAL 45 -5.053 -7.796 -6.640
292 1HG1 VAL 45 1HG1 VAL 45 -3.725 -5.477 -8.073
293 2HG1 VAL 45 3HG1 VAL 45 -2.970 -6.399 -6.773
294 3HG1 VAL 45 2HG1 VAL 45 -3.381 -7.193 -8.293
295 1HG2 VAL 45 2HG2 VAL 45 -5.809 -4.900 -6.324
296 2HG2 VAL 45 1HG2 VAL 45 -6.159 -6.259 -5.255
297 3HG2 VAL 45 3HG2 VAL 45 -4.528 -5.593 -5.331
298 H THR 46 HN THR 46 -5.868 -9.186 -7.812
299 HA THR 46 HA THR 46 -5.461 -11.051 -9.177
300 HB THR 46 HB THR 46 -6.428 -9.492 -11.555
301 HG1 THR 46 HG1 THR 46 -8.147 -8.997 -10.482
302 1HG2 THR 46 2HG2 THR 46 -6.380 -12.312 -10.586
303 2HG2 THR 46 1HG2 THR 46 -7.749 -11.819 -11.583
304 3HG2 THR 46 3HG2 THR 46 -6.107 -11.675 -12.208
No H/Q in entry = 304
Start of MODEL 2
Raw file had 310 H/Q atoms
Start of MODEL 2
1 1H ALA 1 3H ALA 1 -1.891 17.744 -4.564
2 2H ALA 1 2H ALA 1 -3.244 17.664 -5.590
3 3H ALA 1 1H ALA 1 -1.739 17.076 -6.116
4 HA ALA 1 HA ALA 1 -2.215 19.217 -7.123
5 1HB ALA 1 2HB ALA 1 -2.404 20.044 -4.215
6 2HB ALA 1 1HB ALA 1 -2.179 21.201 -5.528
7 3HB ALA 1 3HB ALA 1 -3.638 20.212 -5.464
8 H VAL 2 H VAL 2 -0.100 18.439 -7.777
9 HA VAL 2 HA VAL 2 2.225 18.610 -7.963
10 HB VAL 2 HB VAL 2 1.814 21.003 -6.151
11 1HG1 VAL 2 1HG1 VAL 2 4.084 20.025 -7.872
12 2HG1 VAL 2 3HG1 VAL 2 3.890 21.747 -7.546
13 3HG1 VAL 2 2HG1 VAL 2 4.136 20.619 -6.212
14 1HG2 VAL 2 3HG2 VAL 2 0.427 20.972 -8.257
15 2HG2 VAL 2 2HG2 VAL 2 1.584 22.301 -8.181
16 3HG2 VAL 2 1HG2 VAL 2 1.930 20.886 -9.176
17 H GLY 3 H GLY 3 4.259 18.378 -6.663
18 1HA GLY 3 2HA GLY 3 4.991 18.198 -4.173
19 2HA GLY 3 1HA GLY 3 3.656 17.051 -4.057
20 H ASP 4 H ASP 4 5.002 15.262 -3.584
21 HA ASP 4 HA ASP 4 6.646 14.316 -5.898
22 1HB ASP 4 2HB ASP 4 8.037 15.101 -3.935
23 2HB ASP 4 1HB ASP 4 7.298 13.812 -2.982
24 H ARG 5 H ARG 5 5.621 12.554 -6.714
25 HA ARG 5 HA ARG 5 3.818 10.948 -5.051
26 1HB ARG 5 2HB ARG 5 4.655 10.834 -7.955
27 2HB ARG 5 1HB ARG 5 3.577 9.649 -7.227
28 1HG ARG 5 2HG ARG 5 2.929 12.524 -6.791
29 2HG ARG 5 1HG ARG 5 2.643 11.866 -8.402
30 1HD ARG 5 2HD ARG 5 1.576 9.881 -6.894
31 2HD ARG 5 1HD ARG 5 1.269 11.263 -5.842
32 HE ARG 5 HE ARG 5 0.225 12.302 -7.993
33 1HH1 ARG 5 2HH1 ARG 5 0.316 10.267 -9.943
34 2HH1 ARG 5 1HH1 ARG 5 -1.083 9.287 -9.657
35 1HH2 ARG 5 1HH2 ARG 5 -1.579 10.469 -6.435
36 2HH2 ARG 5 2HH2 ARG 5 -2.155 9.401 -7.671
37 H CYS 6 H CYS 6 4.075 8.428 -5.465
38 HA CYS 6 HA CYS 6 6.710 7.694 -4.413
39 1HB CYS 6 2HB CYS 6 4.262 6.027 -5.068
40 2HB CYS 6 1HB CYS 6 5.694 5.442 -4.231
41 H GLU 7 H GLU 7 7.251 5.257 -5.469
42 HA GLU 7 HA GLU 7 8.028 5.930 -8.244
43 1HB GLU 7 2HB GLU 7 8.761 3.533 -6.534
44 2HB GLU 7 1HB GLU 7 9.490 3.966 -8.081
45 1HG GLU 7 2HG GLU 7 9.470 6.083 -5.991
46 2HG GLU 7 1HG GLU 7 10.550 4.716 -5.715
47 H ARG 8 H ARG 8 8.139 3.523 -9.493
48 HA ARG 8 HA ARG 8 5.339 3.004 -10.110
49 1HB ARG 8 2HB ARG 8 7.955 1.860 -11.102
50 2HB ARG 8 1HB ARG 8 6.399 1.221 -11.633
51 1HG ARG 8 2HG ARG 8 5.812 3.193 -12.735
52 2HG ARG 8 1HG ARG 8 6.903 4.180 -11.761
53 1HD ARG 8 2HD ARG 8 8.766 3.600 -13.008
54 2HD ARG 8 1HD ARG 8 8.092 2.042 -13.484
55 HE ARG 8 HE ARG 8 7.128 4.627 -14.645
56 1HH1 ARG 8 2HH1 ARG 8 6.497 1.388 -14.774
57 2HH1 ARG 8 1HH1 ARG 8 6.797 1.190 -16.468
58 1HH2 ARG 8 1HH2 ARG 8 8.170 4.349 -16.864
59 2HH2 ARG 8 2HH2 ARG 8 7.743 2.867 -17.652
60 H ASN 9 H ASN 9 4.211 1.042 -9.758
61 HA ASN 9 HA ASN 9 3.567 -0.848 -8.535
62 1HB ASN 9 2HB ASN 9 5.448 -1.819 -9.845
63 2HB ASN 9 1HB ASN 9 6.550 -1.377 -8.544
64 1HD2 ASN 9 2HD2 ASN 9 5.879 -4.713 -7.429
65 2HD2 ASN 9 1HD2 ASN 9 6.996 -3.743 -8.260
66 H GLU 10 H GLU 10 3.565 1.336 -6.952
67 HA GLU 10 HA GLU 10 4.721 0.309 -4.397
68 1HB GLU 10 2HB GLU 10 5.495 2.684 -5.730
69 2HB GLU 10 1HB GLU 10 4.507 3.197 -4.365
70 1HG GLU 10 2HG GLU 10 6.672 3.060 -3.447
71 2HG GLU 10 1HG GLU 10 5.938 1.526 -2.983
72 H PHE 11 H PHE 11 3.605 1.839 -2.565
73 HA PHE 11 HA PHE 11 0.777 2.350 -3.138
74 1HB PHE 11 2HB PHE 11 0.650 0.008 -2.743
75 2HB PHE 11 1HB PHE 11 1.740 0.129 -1.381
76 HD1 PHE 11 HD2 PHE 11 -1.608 1.371 -2.532
77 HD2 PHE 11 HD1 PHE 11 0.877 0.241 0.785
78 HE1 PHE 11 HE2 PHE 11 -3.541 1.622 -0.993
79 HE2 PHE 11 HE1 PHE 11 -1.054 0.490 2.316
80 HZ PHE 11 HZ PHE 11 -3.261 1.175 1.434
81 H GLN 12 H GLN 12 0.433 4.290 -2.137
82 HA GLN 12 HA GLN 12 2.154 5.173 0.057
83 1HB GLN 12 2HB GLN 12 1.195 6.721 -1.695
84 2HB GLN 12 1HB GLN 12 -0.392 6.465 -0.968
85 1HG GLN 12 2HG GLN 12 0.815 7.139 1.260
86 2HG GLN 12 1HG GLN 12 2.009 7.862 0.181
87 1HE2 GLN 12 2HE2 GLN 12 -0.032 10.618 -0.619
88 2HE2 GLN 12 1HE2 GLN 12 1.487 9.874 -0.751
89 H CYS 13 H CYS 13 1.790 3.943 1.904
90 HA CYS 13 HA CYS 13 -0.714 2.899 2.735
91 1HB CYS 13 2HB CYS 13 1.945 3.062 3.832
92 2HB CYS 13 1HB CYS 13 0.806 3.509 5.079
93 H GLN 14 H GLN 14 -1.976 3.581 4.649
94 HA GLN 14 HA GLN 14 -2.946 6.222 4.417
95 1HB GLN 14 2HB GLN 14 -3.164 4.361 6.798
96 2HB GLN 14 1HB GLN 14 -4.205 5.745 6.465
97 1HG GLN 14 2HG GLN 14 -4.814 4.646 4.272
98 2HG GLN 14 1HG GLN 14 -3.948 3.212 4.825
99 1HE2 GLN 14 2HE2 GLN 14 -7.398 4.265 6.820
100 2HE2 GLN 14 1HE2 GLN 14 -6.473 5.481 6.080
101 H ASP 15 H ASP 15 -0.188 4.966 6.138
102 HA ASP 15 HA ASP 15 -0.052 7.046 8.106
103 1HB ASP 15 2HB ASP 15 2.050 6.152 8.676
104 2HB ASP 15 1HB ASP 15 1.126 4.766 8.148
105 H GLY 16 H GLY 16 1.494 6.509 4.998
106 1HA GLY 16 2HA GLY 16 1.503 8.614 3.543
107 2HA GLY 16 1HA GLY 16 2.258 9.369 4.936
108 H LYS 17 H LYS 17 3.060 6.075 4.007
109 HA LYS 17 HA LYS 17 5.648 7.048 2.969
110 1HB LYS 17 2HB LYS 17 5.324 5.751 5.381
111 2HB LYS 17 1HB LYS 17 5.728 4.425 4.296
112 1HG LYS 17 2HG LYS 17 7.844 5.236 3.874
113 2HG LYS 17 1HG LYS 17 7.358 6.919 4.091
114 1HD LYS 17 2HD LYS 17 7.133 6.511 6.534
115 2HD LYS 17 1HD LYS 17 7.713 4.864 6.290
116 1HE LYS 17 2HE LYS 17 9.747 6.008 5.122
117 2HE LYS 17 1HE LYS 17 9.214 7.455 5.978
118 1HZ LYS 17 1HZ LYS 17 9.151 5.850 7.996
119 2HZ LYS 17 3HZ LYS 17 10.223 4.919 7.068
120 3HZ LYS 17 2HZ LYS 17 10.632 6.513 7.491
121 H CYS 18 H CYS 18 6.195 6.153 1.008
122 HA CYS 18 HA CYS 18 4.335 4.456 -0.362
123 1HB CYS 18 2HB CYS 18 7.197 4.760 -1.138
124 2HB CYS 18 1HB CYS 18 5.831 4.461 -2.178
125 H ILE 19 H ILE 19 4.599 2.251 -0.937
126 HA ILE 19 HA ILE 19 6.751 0.703 0.352
127 HB ILE 19 HB ILE 19 5.197 -0.770 1.561
128 1HG1 ILE 19 2HG1 ILE 19 2.781 0.659 1.640
129 2HG1 ILE 19 1HG1 ILE 19 3.227 0.675 -0.064
130 1HG2 ILE 19 3HG2 ILE 19 6.104 1.371 2.582
131 2HG2 ILE 19 2HG2 ILE 19 4.552 2.119 2.208
132 3HG2 ILE 19 1HG2 ILE 19 4.628 0.763 3.329
133 1HD1 ILE 19 3HD1 ILE 19 3.692 -1.954 1.076
134 2HD1 ILE 19 2HD1 ILE 19 2.028 -1.441 1.348
135 3HD1 ILE 19 1HD1 ILE 19 2.675 -1.495 -0.291
136 H SER 20 H SER 20 6.974 -1.407 -0.586
137 HA SER 20 HA SER 20 6.362 -1.608 -3.345
138 1HB SER 20 2HB SER 20 7.801 -3.132 -1.518
139 2HB SER 20 1HB SER 20 6.517 -4.227 -2.021
140 HG SER 20 HG SER 20 7.995 -4.483 -3.573
141 H TYR 21 H TYR 21 4.608 -2.380 -4.483
142 HA TYR 21 HA TYR 21 2.078 -2.544 -3.225
143 1HB TYR 21 2HB TYR 21 2.652 -1.994 -5.663
144 2HB TYR 21 1HB TYR 21 2.659 -3.737 -5.881
145 HD1 TYR 21 HD1 TYR 21 0.557 -0.980 -4.483
146 HD2 TYR 21 HD2 TYR 21 0.650 -4.893 -6.253
147 HE1 TYR 21 HE1 TYR 21 -1.920 -0.985 -4.607
148 HE2 TYR 21 HE2 TYR 21 -1.826 -4.898 -6.378
149 HH TYR 21 HH TYR 21 -3.698 -2.063 -5.823
150 H LYS 22 H LYS 22 4.530 -4.936 -3.637
151 HA LYS 22 HA LYS 22 2.828 -7.250 -3.664
152 1HB LYS 22 2HB LYS 22 4.890 -8.469 -2.931
153 2HB LYS 22 1HB LYS 22 5.118 -7.500 -4.378
154 1HG LYS 22 2HG LYS 22 6.202 -5.819 -3.178
155 2HG LYS 22 1HG LYS 22 5.697 -6.454 -1.626
156 1HD LYS 22 2HD LYS 22 8.029 -7.049 -1.962
157 2HD LYS 22 1HD LYS 22 7.058 -8.513 -2.109
158 1HE LYS 22 2HE LYS 22 7.211 -7.278 -4.695
159 2HE LYS 22 1HE LYS 22 8.842 -7.393 -4.034
160 1HZ LYS 22 2HZ LYS 22 6.916 -9.649 -4.077
161 2HZ LYS 22 1HZ LYS 22 8.096 -9.391 -5.272
162 3HZ LYS 22 3HZ LYS 22 8.565 -9.711 -3.673
163 H TRP 23 H TRP 23 4.090 -5.193 -1.137
164 HA TRP 23 HA TRP 23 3.413 -6.959 1.035
165 1HB TRP 23 2HB TRP 23 3.905 -3.976 1.086
166 2HB TRP 23 1HB TRP 23 3.980 -5.067 2.459
167 HD1 TRP 23 HD1 TRP 23 6.307 -3.238 0.709
168 HE1 TRP 23 HE1 TRP 23 8.555 -4.444 0.334
169 HE3 TRP 23 HE3 TRP 23 4.900 -8.075 1.621
170 HZ2 TRP 23 HZ2 TRP 23 9.617 -7.095 0.412
171 HZ3 TRP 23 HZ3 TRP 23 6.552 -9.910 1.466
172 HH2 TRP 23 HH2 TRP 23 8.907 -9.429 0.865
173 H VAL 24 H VAL 24 2.009 -3.991 -0.308
174 HA VAL 24 HA VAL 24 -0.192 -3.861 1.481
175 HB VAL 24 HB VAL 24 0.552 -1.947 0.116
176 1HG1 VAL 24 3HG1 VAL 24 0.951 -3.445 -1.904
177 2HG1 VAL 24 2HG1 VAL 24 -0.773 -3.280 -2.226
178 3HG1 VAL 24 1HG1 VAL 24 0.266 -1.855 -2.215
179 1HG2 VAL 24 3HG2 VAL 24 -2.298 -2.872 -0.273
180 2HG2 VAL 24 2HG2 VAL 24 -1.686 -1.712 0.903
181 3HG2 VAL 24 1HG2 VAL 24 -1.734 -1.289 -0.804
182 H CYS 25 H CYS 25 -2.122 -4.896 1.537
183 HA CYS 25 HA CYS 25 -3.813 -6.423 0.993
184 1HB CYS 25 2HB CYS 25 -4.304 -4.767 -0.744
185 2HB CYS 25 1HB CYS 25 -3.071 -5.456 -1.793
186 H ASP 26 H ASP 26 -2.232 -8.092 1.762
187 HA ASP 26 HA ASP 26 -1.614 -10.004 -0.443
188 1HB ASP 26 2HB ASP 26 0.313 -8.612 1.166
189 2HB ASP 26 1HB ASP 26 0.352 -10.312 1.628
190 H GLY 27 H GLY 27 -1.983 -9.536 3.062
191 1HA GLY 27 2HA GLY 27 -3.830 -11.627 3.422
192 2HA GLY 27 1HA GLY 27 -2.225 -12.249 3.795
193 H SER 28 H SER 28 -1.115 -9.860 4.817
194 HA SER 28 HA SER 28 -2.817 -9.223 7.181
195 1HB SER 28 2HB SER 28 -0.895 -11.034 7.496
196 2HB SER 28 1HB SER 28 0.132 -9.604 7.556
197 HG SER 28 HG SER 28 -0.503 -9.579 9.570
198 H ALA 29 H ALA 29 -1.092 -7.516 8.469
199 HA ALA 29 HA ALA 29 -1.014 -5.257 6.581
200 1HB ALA 29 2HB ALA 29 -0.362 -5.407 9.541
201 2HB ALA 29 1HB ALA 29 -0.434 -3.921 8.594
202 3HB ALA 29 3HB ALA 29 -1.893 -4.880 8.844
203 H GLU 30 H GLU 30 0.756 -6.388 5.311
204 HA GLU 30 HA GLU 30 3.412 -6.393 6.576
205 1HB GLU 30 2HB GLU 30 2.610 -7.019 3.723
206 2HB GLU 30 1HB GLU 30 4.156 -7.377 4.482
207 1HG GLU 30 2HG GLU 30 3.049 -8.857 6.098
208 2HG GLU 30 1HG GLU 30 1.484 -8.478 5.377
209 H CYS 31 H CYS 31 1.613 -3.921 5.573
210 HA CYS 31 HA CYS 31 3.193 -2.550 3.613
211 1HB CYS 31 2HB CYS 31 0.900 -1.841 4.179
212 2HB CYS 31 1HB CYS 31 1.400 -1.450 5.818
213 H GLN 32 H GLN 32 4.919 -1.082 3.922
214 HA GLN 32 HA GLN 32 6.845 -1.615 5.873
215 1HB GLN 32 2HB GLN 32 7.235 -0.303 3.797
216 2HB GLN 32 1HB GLN 32 6.377 1.057 4.522
217 1HG GLN 32 2HG GLN 32 8.030 1.349 6.204
218 2HG GLN 32 1HG GLN 32 8.741 -0.233 5.888
219 1HE2 GLN 32 2HE2 GLN 32 10.557 2.700 4.132
220 2HE2 GLN 32 1HE2 GLN 32 9.863 2.655 5.680
221 H ASP 33 H ASP 33 3.980 0.361 6.181
222 HA ASP 33 HA ASP 33 4.869 1.248 8.888
223 1HB ASP 33 2HB ASP 33 4.046 2.945 7.105
224 2HB ASP 33 1HB ASP 33 2.441 2.288 7.429
225 H GLY 34 H GLY 34 1.762 0.380 7.296
226 1HA GLY 34 2HA GLY 34 0.916 -1.890 8.332
227 2HA GLY 34 1HA GLY 34 0.919 -0.917 9.795
228 H SER 35 H SER 35 -0.153 -0.326 6.430
229 HA SER 35 HA SER 35 -2.920 0.072 7.374
230 1HB SER 35 2HB SER 35 -1.354 2.300 6.042
231 2HB SER 35 1HB SER 35 -3.073 2.346 6.420
232 HG SER 35 HG SER 35 -1.693 3.331 8.024
233 H ASP 36 H ASP 36 -2.119 -1.949 5.731
234 HA ASP 36 HA ASP 36 -2.931 -1.092 2.975
235 1HB ASP 36 2HB ASP 36 -1.746 -3.143 2.265
236 2HB ASP 36 1HB ASP 36 -0.679 -1.955 2.981
237 H GLU 37 H GLU 37 -3.330 -3.503 5.529
238 HA GLU 37 HA GLU 37 -4.824 -5.479 4.294
239 1HB GLU 37 2HB GLU 37 -4.775 -4.342 7.049
240 2HB GLU 37 1HB GLU 37 -6.082 -5.453 6.644
241 1HG GLU 37 2HG GLU 37 -4.343 -7.065 5.785
242 2HG GLU 37 1HG GLU 37 -3.107 -5.983 6.428
243 H SER 38 H SER 38 -5.911 -2.206 4.907
244 HA SER 38 HA SER 38 -8.676 -2.444 5.056
245 1HB SER 38 2HB SER 38 -6.956 -0.442 3.594
246 2HB SER 38 1HB SER 38 -8.708 -0.284 3.671
247 HG SER 38 HG SER 38 -8.470 -0.416 5.985
248 H GLN 39 H GLN 39 -10.371 -2.679 3.522
249 HA GLN 39 HA GLN 39 -9.689 -4.291 1.170
250 1HB GLN 39 2HB GLN 39 -11.743 -4.569 2.709
251 2HB GLN 39 1HB GLN 39 -12.427 -3.194 1.842
252 1HG GLN 39 2HG GLN 39 -12.315 -4.360 -0.259
253 2HG GLN 39 1HG GLN 39 -11.369 -5.668 0.453
254 1HE2 GLN 39 2HE2 GLN 39 -15.338 -5.978 0.510
255 2HE2 GLN 39 1HE2 GLN 39 -14.475 -4.932 -0.511
256 H GLU 40 H GLU 40 -10.385 -0.920 1.784
257 HA GLU 40 HA GLU 40 -11.391 -0.066 -0.694
258 1HB GLU 40 2HB GLU 40 -9.508 1.251 1.269
259 2HB GLU 40 1HB GLU 40 -10.069 2.083 -0.183
260 1HG GLU 40 2HG GLU 40 -12.443 1.492 0.570
261 2HG GLU 40 1HG GLU 40 -11.731 1.040 2.119
262 H THR 41 H THR 41 -8.076 -0.765 0.272
263 HA THR 41 HA THR 41 -7.096 -0.281 -2.455
264 HB THR 41 HB THR 41 -5.632 -1.027 0.095
265 HG1 THR 41 HG1 THR 41 -5.738 1.419 -1.331
266 1HG2 THR 41 2HG2 THR 41 -4.712 -1.496 -2.417
267 2HG2 THR 41 1HG2 THR 41 -4.190 0.173 -2.201
268 3HG2 THR 41 3HG2 THR 41 -3.668 -1.068 -1.064
269 H CYS 42 H CYS 42 -7.740 -2.802 -0.125
270 HA CYS 42 HA CYS 42 -6.822 -4.906 -2.017
271 1HB CYS 42 2HB CYS 42 -6.153 -4.766 0.516
272 2HB CYS 42 1HB CYS 42 -7.779 -5.355 0.808
273 H LEU 43 H LEU 43 -9.019 -3.794 -3.006
274 HA LEU 43 HA LEU 43 -11.416 -5.022 -1.898
275 1HB LEU 43 2HB LEU 43 -12.605 -3.768 -3.664
276 2HB LEU 43 1HB LEU 43 -11.534 -2.714 -2.743
277 HG LEU 43 HG LEU 43 -10.195 -3.959 -5.046
278 1HD1 LEU 43 1HD1 LEU 43 -12.742 -2.416 -5.412
279 2HD1 LEU 43 3HD1 LEU 43 -11.429 -2.191 -6.567
280 3HD1 LEU 43 2HD1 LEU 43 -12.129 -3.792 -6.329
281 1HD2 LEU 43 3HD2 LEU 43 -9.545 -1.945 -3.518
282 2HD2 LEU 43 2HD2 LEU 43 -9.225 -1.826 -5.247
283 3HD2 LEU 43 1HD2 LEU 43 -10.630 -1.018 -4.553
284 H SER 44 H SER 44 -9.968 -7.134 -2.526
285 HA SER 44 HA SER 44 -10.453 -7.953 -5.323
286 1HB SER 44 2HB SER 44 -9.212 -9.527 -3.050
287 2HB SER 44 1HB SER 44 -9.152 -9.931 -4.763
288 HG SER 44 HG SER 44 -7.448 -8.718 -4.830
289 H VAL 45 H VAL 45 -12.101 -9.300 -5.922
290 HA VAL 45 HA VAL 45 -13.756 -10.499 -3.735
291 HB VAL 45 HB VAL 45 -14.739 -9.551 -6.443
292 1HG1 VAL 45 1HG1 VAL 45 -15.907 -11.407 -4.959
293 2HG1 VAL 45 3HG1 VAL 45 -16.443 -10.015 -4.019
294 3HG1 VAL 45 2HG1 VAL 45 -16.869 -10.143 -5.725
295 1HG2 VAL 45 2HG2 VAL 45 -13.897 -7.727 -4.864
296 2HG2 VAL 45 1HG2 VAL 45 -15.587 -7.591 -5.351
297 3HG2 VAL 45 3HG2 VAL 45 -15.177 -8.221 -3.756
298 H THR 46 HN THR 46 -13.556 -12.679 -3.775
299 HA THR 46 HA THR 46 -12.907 -14.015 -6.359
300 HB THR 46 HB THR 46 -12.204 -15.918 -4.985
301 HG1 THR 46 HG1 THR 46 -12.950 -14.302 -2.780
302 1HG2 THR 46 1HG2 THR 46 -10.860 -13.610 -5.244
303 2HG2 THR 46 3HG2 THR 46 -11.015 -13.638 -3.487
304 3HG2 THR 46 2HG2 THR 46 -10.220 -14.972 -4.323
No H/Q in entry = 304
Start of MODEL 3
Raw file had 310 H/Q atoms
Start of MODEL 3
1 1H ALA 1 2H ALA 1 6.024 20.775 -11.008
2 2H ALA 1 1H ALA 1 7.332 20.167 -11.907
3 3H ALA 1 3H ALA 1 5.742 19.882 -12.425
4 HA ALA 1 HA ALA 1 5.303 18.372 -10.724
5 1HB ALA 1 1HB ALA 1 8.112 18.106 -11.805
6 2HB ALA 1 3HB ALA 1 7.391 16.864 -10.782
7 3HB ALA 1 2HB ALA 1 6.655 17.265 -12.334
8 H VAL 2 H VAL 2 5.106 18.608 -8.555
9 HA VAL 2 HA VAL 2 7.577 19.070 -6.956
10 HB VAL 2 HB VAL 2 4.951 20.516 -6.484
11 1HG1 VAL 2 3HG1 VAL 2 7.675 20.638 -5.158
12 2HG1 VAL 2 2HG1 VAL 2 6.408 21.837 -4.897
13 3HG1 VAL 2 1HG1 VAL 2 6.148 20.160 -4.415
14 1HG2 VAL 2 3HG2 VAL 2 6.230 21.262 -8.529
15 2HG2 VAL 2 2HG2 VAL 2 6.068 22.507 -7.291
16 3HG2 VAL 2 1HG2 VAL 2 7.590 21.636 -7.472
17 H GLY 3 H GLY 3 7.705 17.625 -5.308
18 1HA GLY 3 2HA GLY 3 6.570 16.578 -3.345
19 2HA GLY 3 1HA GLY 3 5.180 16.303 -4.396
20 H ASP 4 H ASP 4 6.380 15.315 -6.679
21 HA ASP 4 HA ASP 4 7.170 13.313 -7.602
22 1HB ASP 4 2HB ASP 4 9.045 13.883 -5.348
23 2HB ASP 4 1HB ASP 4 9.108 12.276 -6.075
24 H ARG 5 H ARG 5 5.476 11.873 -7.439
25 HA ARG 5 HA ARG 5 4.446 10.782 -5.017
26 1HB ARG 5 2HB ARG 5 3.445 9.049 -6.546
27 2HB ARG 5 1HB ARG 5 3.123 10.706 -7.040
28 1HG ARG 5 2HG ARG 5 4.471 10.559 -8.895
29 2HG ARG 5 1HG ARG 5 5.590 9.437 -8.122
30 1HD ARG 5 2HD ARG 5 4.505 8.076 -9.696
31 2HD ARG 5 1HD ARG 5 3.597 7.758 -8.218
32 HE ARG 5 HE ARG 5 2.527 9.926 -9.894
33 1HH1 ARG 5 2HH1 ARG 5 2.695 6.899 -10.935
34 2HH1 ARG 5 1HH1 ARG 5 1.035 6.460 -10.704
35 1HH2 ARG 5 1HH2 ARG 5 0.297 9.239 -8.764
36 2HH2 ARG 5 2HH2 ARG 5 -0.322 7.785 -9.473
37 H CYS 6 H CYS 6 4.435 8.083 -5.105
38 HA CYS 6 HA CYS 6 6.974 7.325 -4.062
39 1HB CYS 6 2HB CYS 6 4.828 5.505 -5.197
40 2HB CYS 6 1HB CYS 6 6.084 5.059 -4.049
41 H GLU 7 H GLU 7 8.011 5.155 -5.126
42 HA GLU 7 HA GLU 7 8.421 5.735 -8.034
43 1HB GLU 7 2HB GLU 7 10.816 5.036 -7.672
44 2HB GLU 7 1HB GLU 7 10.378 6.538 -6.858
45 1HG GLU 7 2HG GLU 7 10.576 5.625 -4.774
46 2HG GLU 7 1HG GLU 7 9.939 4.063 -5.285
47 H ARG 8 H ARG 8 9.041 3.876 -9.319
48 HA ARG 8 HA ARG 8 8.804 1.646 -10.000
49 1HB ARG 8 2HB ARG 8 10.492 1.541 -7.967
50 2HB ARG 8 1HB ARG 8 9.142 0.740 -7.162
51 1HG ARG 8 2HG ARG 8 9.087 -1.016 -8.754
52 2HG ARG 8 1HG ARG 8 10.076 -0.114 -9.903
53 1HD ARG 8 2HD ARG 8 11.729 -1.453 -9.040
54 2HD ARG 8 1HD ARG 8 11.791 -0.170 -7.831
55 HE ARG 8 HE ARG 8 9.851 -2.099 -7.013
56 1HH1 ARG 8 1HH2 ARG 8 11.790 -1.198 -5.062
57 2HH1 ARG 8 2HH2 ARG 8 12.875 -2.537 -4.897
58 1HH2 ARG 8 2HH1 ARG 8 11.870 -4.056 -7.849
59 2HH2 ARG 8 1HH1 ARG 8 12.922 -4.156 -6.476
60 H ASN 9 H ASN 9 6.470 3.155 -9.014
61 HA ASN 9 HA ASN 9 4.178 2.753 -8.972
62 1HB ASN 9 2HB ASN 9 4.645 0.517 -10.035
63 2HB ASN 9 1HB ASN 9 4.827 -0.140 -8.415
64 1HD2 ASN 9 2HD2 ASN 9 1.133 0.335 -9.909
65 2HD2 ASN 9 1HD2 ASN 9 2.534 0.510 -10.851
66 H GLU 10 H GLU 10 5.618 0.476 -6.632
67 HA GLU 10 HA GLU 10 5.272 0.260 -4.316
68 1HB GLU 10 2HB GLU 10 6.120 2.941 -4.968
69 2HB GLU 10 1HB GLU 10 5.043 3.003 -3.574
70 1HG GLU 10 2HG GLU 10 6.525 1.921 -2.222
71 2HG GLU 10 1HG GLU 10 7.035 0.817 -3.498
72 H PHE 11 H PHE 11 3.843 1.835 -2.510
73 HA PHE 11 HA PHE 11 1.108 2.163 -3.536
74 1HB PHE 11 2HB PHE 11 0.954 -0.124 -3.018
75 2HB PHE 11 1HB PHE 11 1.973 0.056 -1.610
76 HD1 PHE 11 HD2 PHE 11 -1.332 1.228 -2.941
77 HD2 PHE 11 HD1 PHE 11 0.994 0.163 0.509
78 HE1 PHE 11 HE2 PHE 11 -3.331 1.518 -1.498
79 HE2 PHE 11 HE1 PHE 11 -1.003 0.451 1.947
80 HZ PHE 11 HZ PHE 11 -3.165 1.127 0.945
81 H GLN 12 H GLN 12 0.527 4.140 -2.722
82 HA GLN 12 HA GLN 12 1.859 5.325 -0.438
83 1HB GLN 12 2HB GLN 12 0.835 6.655 -2.308
84 2HB GLN 12 1HB GLN 12 -0.756 6.172 -1.720
85 1HG GLN 12 2HG GLN 12 -0.025 7.113 0.554
86 2HG GLN 12 1HG GLN 12 1.312 7.866 -0.312
87 1HE2 GLN 12 2HE2 GLN 12 -2.310 9.589 -0.447
88 2HE2 GLN 12 1HE2 GLN 12 -1.936 8.313 0.609
89 H CYS 13 H CYS 13 1.542 4.354 1.510
90 HA CYS 13 HA CYS 13 -0.871 2.963 2.229
91 1HB CYS 13 2HB CYS 13 1.636 3.786 3.632
92 2HB CYS 13 1HB CYS 13 0.264 3.278 4.605
93 H GLN 14 H GLN 14 -2.302 3.547 4.011
94 HA GLN 14 HA GLN 14 -3.511 6.068 3.726
95 1HB GLN 14 2HB GLN 14 -4.528 3.974 4.733
96 2HB GLN 14 1HB GLN 14 -3.646 4.355 6.213
97 1HG GLN 14 2HG GLN 14 -4.751 6.691 6.029
98 2HG GLN 14 1HG GLN 14 -5.858 5.922 4.891
99 1HE2 GLN 14 2HE2 GLN 14 -7.813 4.658 7.518
100 2HE2 GLN 14 1HE2 GLN 14 -7.738 5.293 5.947
101 H ASP 15 H ASP 15 -0.886 5.044 5.819
102 HA ASP 15 HA ASP 15 -1.005 7.284 7.597
103 1HB ASP 15 2HB ASP 15 1.243 6.567 8.276
104 2HB ASP 15 1HB ASP 15 0.152 5.203 8.170
105 H GLY 16 H GLY 16 0.833 6.545 4.709
106 1HA GLY 16 2HA GLY 16 1.040 8.526 3.123
107 2HA GLY 16 1HA GLY 16 1.642 9.385 4.529
108 H LYS 17 H LYS 17 2.526 6.030 3.944
109 HA LYS 17 HA LYS 17 5.233 6.939 3.179
110 1HB LYS 17 2HB LYS 17 4.659 5.813 5.571
111 2HB LYS 17 1HB LYS 17 4.982 4.366 4.620
112 1HG LYS 17 2HG LYS 17 7.193 4.972 4.212
113 2HG LYS 17 1HG LYS 17 6.871 6.690 4.458
114 1HD LYS 17 2HD LYS 17 6.946 6.524 6.758
115 2HD LYS 17 1HD LYS 17 6.433 4.836 6.757
116 1HE LYS 17 2HE LYS 17 8.698 4.323 5.646
117 2HE LYS 17 1HE LYS 17 9.169 5.953 6.130
118 1HZ LYS 17 1HZ LYS 17 8.455 5.315 8.428
119 2HZ LYS 17 3HZ LYS 17 8.332 3.714 7.882
120 3HZ LYS 17 2HZ LYS 17 9.835 4.507 7.853
121 H CYS 18 H CYS 18 5.904 6.072 1.254
122 HA CYS 18 HA CYS 18 4.240 4.259 -0.208
123 1HB CYS 18 2HB CYS 18 7.121 4.856 -0.715
124 2HB CYS 18 1HB CYS 18 5.965 4.250 -1.872
125 H ILE 19 H ILE 19 4.798 2.109 -0.868
126 HA ILE 19 HA ILE 19 6.877 0.648 0.597
127 HB ILE 19 HB ILE 19 5.284 -0.998 1.550
128 1HG1 ILE 19 2HG1 ILE 19 2.836 0.300 1.606
129 2HG1 ILE 19 1HG1 ILE 19 3.388 0.614 -0.037
130 1HG2 ILE 19 2HG2 ILE 19 6.070 1.027 2.841
131 2HG2 ILE 19 1HG2 ILE 19 4.560 1.820 2.394
132 3HG2 ILE 19 3HG2 ILE 19 4.531 0.368 3.387
133 1HD1 ILE 19 1HD1 ILE 19 4.016 -2.075 0.374
134 2HD1 ILE 19 3HD1 ILE 19 2.446 -1.882 1.152
135 3HD1 ILE 19 2HD1 ILE 19 2.646 -1.460 -0.547
136 H SER 20 H SER 20 6.962 -1.659 -0.216
137 HA SER 20 HA SER 20 6.798 -1.713 -3.079
138 1HB SER 20 2HB SER 20 8.026 -3.279 -1.213
139 2HB SER 20 1HB SER 20 6.691 -4.328 -1.680
140 HG SER 20 HG SER 20 7.351 -3.898 -3.890
141 H TYR 21 H TYR 21 5.161 -2.330 -4.445
142 HA TYR 21 HA TYR 21 2.490 -2.455 -3.531
143 1HB TYR 21 2HB TYR 21 3.369 -1.835 -5.849
144 2HB TYR 21 1HB TYR 21 3.392 -3.567 -6.138
145 HD1 TYR 21 HD1 TYR 21 1.226 -0.677 -5.366
146 HD2 TYR 21 HD2 TYR 21 1.359 -4.851 -6.369
147 HE1 TYR 21 HE1 TYR 21 -1.214 -0.649 -5.807
148 HE2 TYR 21 HE2 TYR 21 -1.079 -4.824 -6.813
149 HH TYR 21 HH TYR 21 -2.797 -2.861 -7.524
150 H LYS 22 H LYS 22 4.877 -4.934 -3.591
151 HA LYS 22 HA LYS 22 3.001 -7.135 -3.911
152 1HB LYS 22 2HB LYS 22 4.932 -8.547 -3.152
153 2HB LYS 22 1HB LYS 22 5.283 -7.557 -4.560
154 1HG LYS 22 2HG LYS 22 6.469 -6.012 -3.279
155 2HG LYS 22 1HG LYS 22 5.855 -6.635 -1.763
156 1HD LYS 22 2HD LYS 22 7.979 -7.602 -1.809
157 2HD LYS 22 1HD LYS 22 7.013 -8.865 -2.571
158 1HE LYS 22 2HE LYS 22 7.722 -8.252 -4.750
159 2HE LYS 22 1HE LYS 22 8.335 -6.693 -4.198
160 1HZ LYS 22 1HZ LYS 22 9.848 -8.183 -2.724
161 2HZ LYS 22 3HZ LYS 22 9.512 -9.366 -3.894
162 3HZ LYS 22 2HZ LYS 22 10.252 -7.906 -4.351
163 H TRP 23 H TRP 23 4.337 -5.295 -1.261
164 HA TRP 23 HA TRP 23 3.442 -7.090 0.806
165 1HB TRP 23 2HB TRP 23 4.221 -4.174 1.000
166 2HB TRP 23 1HB TRP 23 4.134 -5.318 2.329
167 HD1 TRP 23 HD1 TRP 23 6.697 -3.674 0.750
168 HE1 TRP 23 HE1 TRP 23 8.825 -5.085 0.398
169 HE3 TRP 23 HE3 TRP 23 4.773 -8.375 1.368
170 HZ2 TRP 23 HZ2 TRP 23 9.610 -7.833 0.383
171 HZ3 TRP 23 HZ3 TRP 23 6.233 -10.361 1.180
172 HH2 TRP 23 HH2 TRP 23 8.648 -10.099 0.691
173 H VAL 24 H VAL 24 2.043 -4.418 -0.962
174 HA VAL 24 HA VAL 24 -0.020 -3.947 1.022
175 HB VAL 24 HB VAL 24 0.761 -2.100 -0.402
176 1HG1 VAL 24 2HG1 VAL 24 -0.489 -3.707 -2.629
177 2HG1 VAL 24 1HG1 VAL 24 0.122 -2.059 -2.777
178 3HG1 VAL 24 3HG1 VAL 24 1.225 -3.379 -2.411
179 1HG2 VAL 24 2HG2 VAL 24 -2.126 -2.928 -0.726
180 2HG2 VAL 24 1HG2 VAL 24 -1.454 -1.759 0.404
181 3HG2 VAL 24 3HG2 VAL 24 -1.517 -1.383 -1.313
182 H CYS 25 H CYS 25 -1.991 -4.851 1.177
183 HA CYS 25 HA CYS 25 -3.785 -6.300 0.752
184 1HB CYS 25 2HB CYS 25 -4.148 -4.685 -1.089
185 2HB CYS 25 1HB CYS 25 -3.081 -5.626 -2.124
186 H ASP 26 H ASP 26 -2.189 -7.984 1.578
187 HA ASP 26 HA ASP 26 -1.747 -10.037 -0.549
188 1HB ASP 26 2HB ASP 26 0.335 -8.729 0.525
189 2HB ASP 26 1HB ASP 26 0.121 -9.953 1.777
190 H GLY 27 H GLY 27 -2.193 -9.426 2.933
191 1HA GLY 27 2HA GLY 27 -4.151 -11.332 3.399
192 2HA GLY 27 1HA GLY 27 -2.621 -12.176 3.615
193 H SER 28 H SER 28 -1.232 -9.793 4.604
194 HA SER 28 HA SER 28 -2.627 -9.257 7.175
195 1HB SER 28 2HB SER 28 -0.868 -11.164 7.307
196 2HB SER 28 1HB SER 28 0.327 -9.890 7.084
197 HG SER 28 HG SER 28 -0.050 -10.194 9.280
198 H ALA 29 H ALA 29 -2.136 -7.171 8.008
199 HA ALA 29 HA ALA 29 -1.454 -5.149 6.159
200 1HB ALA 29 2HB ALA 29 -2.629 -4.772 8.334
201 2HB ALA 29 1HB ALA 29 -1.084 -4.983 9.156
202 3HB ALA 29 3HB ALA 29 -1.313 -3.636 8.042
203 H GLU 30 H GLU 30 0.473 -5.472 5.064
204 HA GLU 30 HA GLU 30 2.956 -5.856 6.600
205 1HB GLU 30 2HB GLU 30 2.292 -5.772 3.650
206 2HB GLU 30 1HB GLU 30 3.947 -5.833 4.242
207 1HG GLU 30 2HG GLU 30 2.961 -7.850 5.692
208 2HG GLU 30 1HG GLU 30 1.822 -7.925 4.346
209 H CYS 31 H CYS 31 2.255 -3.747 3.847
210 HA CYS 31 HA CYS 31 3.150 -1.615 3.330
211 1HB CYS 31 2HB CYS 31 0.925 -1.304 3.991
212 2HB CYS 31 1HB CYS 31 1.300 -1.559 5.675
213 H GLN 32 H GLN 32 5.098 -3.080 5.196
214 HA GLN 32 HA GLN 32 6.891 -2.577 6.651
215 1HB GLN 32 2HB GLN 32 7.440 -1.485 4.422
216 2HB GLN 32 1HB GLN 32 6.864 0.034 5.110
217 1HG GLN 32 2HG GLN 32 8.558 -0.841 7.086
218 2HG GLN 32 1HG GLN 32 9.365 -1.444 5.639
219 1HE2 GLN 32 2HE2 GLN 32 9.850 2.376 6.527
220 2HE2 GLN 32 1HE2 GLN 32 9.432 1.157 7.630
221 H ASP 33 H ASP 33 4.196 -1.736 7.588
222 HA ASP 33 HA ASP 33 4.891 -0.289 9.942
223 1HB ASP 33 2HB ASP 33 4.884 1.541 8.142
224 2HB ASP 33 1HB ASP 33 3.146 1.266 8.021
225 H GLY 34 H GLY 34 1.956 -0.316 7.830
226 1HA GLY 34 2HA GLY 34 0.439 -2.347 8.618
227 2HA GLY 34 1HA GLY 34 0.419 -1.392 10.091
228 H SER 35 H SER 35 -0.332 -1.124 6.606
229 HA SER 35 HA SER 35 -2.779 0.374 7.288
230 1HB SER 35 2HB SER 35 -0.791 1.602 5.373
231 2HB SER 35 1HB SER 35 -2.275 2.323 5.991
232 HG SER 35 HG SER 35 -1.356 2.493 7.983
233 H ASP 36 H ASP 36 -0.847 -1.263 4.840
234 HA ASP 36 HA ASP 36 -2.468 -0.981 2.556
235 1HB ASP 36 2HB ASP 36 -1.449 -3.082 1.827
236 2HB ASP 36 1HB ASP 36 -0.255 -1.968 2.464
237 H GLU 37 H GLU 37 -2.704 -3.341 5.193
238 HA GLU 37 HA GLU 37 -4.530 -5.103 3.982
239 1HB GLU 37 2HB GLU 37 -3.382 -4.868 6.504
240 2HB GLU 37 1HB GLU 37 -5.107 -4.766 6.824
241 1HG GLU 37 2HG GLU 37 -4.211 -7.125 6.862
242 2HG GLU 37 1HG GLU 37 -5.506 -6.881 5.695
243 H SER 38 H SER 38 -5.183 -1.853 4.920
244 HA SER 38 HA SER 38 -7.906 -1.932 5.601
245 1HB SER 38 2HB SER 38 -6.141 0.039 4.227
246 2HB SER 38 1HB SER 38 -7.878 0.282 4.076
247 HG SER 38 HG SER 38 -7.873 0.961 6.054
248 H GLN 39 H GLN 39 -9.642 -2.724 4.485
249 HA GLN 39 HA GLN 39 -9.431 -4.008 1.986
250 1HB GLN 39 2HB GLN 39 -11.534 -3.382 3.876
251 2HB GLN 39 1HB GLN 39 -12.133 -3.153 2.235
252 1HG GLN 39 2HG GLN 39 -11.083 -5.444 1.712
253 2HG GLN 39 1HG GLN 39 -10.957 -5.650 3.459
254 1HE2 GLN 39 2HE2 GLN 39 -14.652 -5.412 3.774
255 2HE2 GLN 39 1HE2 GLN 39 -13.315 -4.592 4.424
256 H GLU 40 H GLU 40 -9.734 -0.591 2.572
257 HA GLU 40 HA GLU 40 -11.076 0.270 0.255
258 1HB GLU 40 2HB GLU 40 -8.899 1.456 1.949
259 2HB GLU 40 1HB GLU 40 -9.368 2.268 0.456
260 1HG GLU 40 2HG GLU 40 -11.579 1.380 2.237
261 2HG GLU 40 1HG GLU 40 -10.604 2.735 2.805
262 H THR 41 H THR 41 -7.691 -0.657 0.686
263 HA THR 41 HA THR 41 -7.160 -0.314 -2.179
264 HB THR 41 HB THR 41 -5.321 -1.119 0.094
265 HG1 THR 41 HG1 THR 41 -5.505 0.931 0.475
266 1HG2 THR 41 3HG2 THR 41 -4.875 -1.622 -2.537
267 2HG2 THR 41 2HG2 THR 41 -4.255 0.023 -2.428
268 3HG2 THR 41 1HG2 THR 41 -3.589 -1.239 -1.393
269 H CYS 42 H CYS 42 -7.660 -2.792 0.244
270 HA CYS 42 HA CYS 42 -7.063 -4.918 -1.756
271 1HB CYS 42 2HB CYS 42 -6.065 -4.721 0.698
272 2HB CYS 42 1HB CYS 42 -7.603 -5.425 1.146
273 H LEU 43 H LEU 43 -9.511 -3.408 -1.907
274 HA LEU 43 HA LEU 43 -11.655 -4.766 -0.600
275 1HB LEU 43 2HB LEU 43 -13.111 -3.537 -2.173
276 2HB LEU 43 1HB LEU 43 -11.899 -2.477 -1.458
277 HG LEU 43 HG LEU 43 -10.510 -3.235 -3.613
278 1HD1 LEU 43 1HD1 LEU 43 -13.261 -4.098 -4.135
279 2HD1 LEU 43 3HD1 LEU 43 -12.656 -2.991 -5.368
280 3HD1 LEU 43 2HD1 LEU 43 -11.779 -4.478 -5.011
281 1HD2 LEU 43 3HD2 LEU 43 -12.696 -1.130 -3.529
282 2HD2 LEU 43 2HD2 LEU 43 -11.015 -0.923 -3.035
283 3HD2 LEU 43 1HD2 LEU 43 -11.410 -1.179 -4.735
284 H SER 44 H SER 44 -13.472 -5.789 -2.053
285 HA SER 44 HA SER 44 -14.129 -7.618 -3.361
286 1HB SER 44 2HB SER 44 -13.005 -6.042 -5.109
287 2HB SER 44 1HB SER 44 -11.676 -7.197 -5.056
288 HG SER 44 HG SER 44 -14.107 -7.392 -6.239
289 H VAL 45 H VAL 45 -13.846 -9.424 -2.116
290 HA VAL 45 HA VAL 45 -11.144 -10.713 -2.183
291 HB VAL 45 HB VAL 45 -13.204 -10.972 0.029
292 1HG1 VAL 45 1HG1 VAL 45 -10.498 -12.097 -0.534
293 2HG1 VAL 45 3HG1 VAL 45 -10.862 -11.664 1.137
294 3HG1 VAL 45 2HG1 VAL 45 -11.873 -12.834 0.289
295 1HG2 VAL 45 3HG2 VAL 45 -10.922 -9.065 -0.394
296 2HG2 VAL 45 2HG2 VAL 45 -12.507 -8.767 0.320
297 3HG2 VAL 45 1HG2 VAL 45 -11.274 -9.625 1.241
298 H THR 46 HN THR 46 -13.442 -11.021 -4.033
299 HA THR 46 HA THR 46 -14.864 -13.449 -3.477
300 HB THR 46 HB THR 46 -15.647 -11.910 -5.200
301 HG1 THR 46 HG1 THR 46 -16.139 -14.072 -5.545
302 1HG2 THR 46 3HG2 THR 46 -12.860 -12.192 -6.117
303 2HG2 THR 46 2HG2 THR 46 -14.058 -12.242 -7.410
304 3HG2 THR 46 1HG2 THR 46 -13.986 -10.851 -6.328
No H/Q in entry = 304
Start of MODEL 4
Raw file had 310 H/Q atoms
Start of MODEL 4
1 1H ALA 1 3H ALA 1 16.595 14.998 9.599
2 2H ALA 1 2H ALA 1 16.065 16.393 10.410
3 3H ALA 1 1H ALA 1 15.533 14.860 10.914
4 HA ALA 1 HA ALA 1 13.760 15.862 9.713
5 1HB ALA 1 3HB ALA 1 15.667 17.269 8.425
6 2HB ALA 1 2HB ALA 1 15.353 16.038 7.203
7 3HB ALA 1 1HB ALA 1 14.040 17.067 7.775
8 H VAL 2 H VAL 2 12.625 14.781 7.788
9 HA VAL 2 HA VAL 2 13.612 11.970 7.552
10 HB VAL 2 HB VAL 2 10.782 13.009 7.205
11 1HG1 VAL 2 1HG1 VAL 2 12.119 10.349 6.999
12 2HG1 VAL 2 3HG1 VAL 2 10.523 10.395 7.749
13 3HG1 VAL 2 2HG1 VAL 2 10.740 10.986 6.102
14 1HG2 VAL 2 2HG2 VAL 2 11.617 13.273 9.533
15 2HG2 VAL 2 1HG2 VAL 2 10.360 12.041 9.424
16 3HG2 VAL 2 3HG2 VAL 2 12.052 11.564 9.554
17 H GLY 3 H GLY 3 14.729 11.899 5.637
18 1HA GLY 3 2HA GLY 3 13.384 13.046 3.221
19 2HA GLY 3 1HA GLY 3 15.136 12.927 3.390
20 H ASP 4 H ASP 4 12.231 11.210 2.572
21 HA ASP 4 HA ASP 4 13.890 8.961 1.570
22 1HB ASP 4 2HB ASP 4 11.855 8.818 3.728
23 2HB ASP 4 1HB ASP 4 11.762 7.558 2.498
24 H ARG 5 H ARG 5 13.397 9.707 -0.555
25 HA ARG 5 HA ARG 5 10.750 10.314 -1.468
26 1HB ARG 5 2HB ARG 5 13.194 9.356 -2.985
27 2HB ARG 5 1HB ARG 5 11.738 10.004 -3.730
28 1HG ARG 5 2HG ARG 5 12.057 12.151 -2.680
29 2HG ARG 5 1HG ARG 5 13.371 11.524 -1.686
30 1HD ARG 5 2HD ARG 5 14.089 10.945 -4.360
31 2HD ARG 5 1HD ARG 5 13.484 12.602 -4.366
32 HE ARG 5 HE ARG 5 15.207 13.166 -2.707
33 1HH1 ARG 5 1HH2 ARG 5 15.341 10.031 -2.120
34 2HH1 ARG 5 2HH2 ARG 5 16.986 9.751 -2.579
35 1HH2 ARG 5 2HH1 ARG 5 17.340 12.812 -4.170
36 2HH2 ARG 5 1HH1 ARG 5 18.119 11.325 -3.740
37 H CYS 6 H CYS 6 9.706 8.903 -3.261
38 HA CYS 6 HA CYS 6 9.624 6.103 -2.269
39 1HB CYS 6 2HB CYS 6 7.616 7.695 -3.887
40 2HB CYS 6 1HB CYS 6 7.391 6.051 -3.304
41 H GLU 7 H GLU 7 8.868 4.564 -4.166
42 HA GLU 7 HA GLU 7 10.632 5.122 -6.520
43 1HB GLU 7 2HB GLU 7 10.842 2.638 -6.698
44 2HB GLU 7 1HB GLU 7 11.467 3.259 -5.172
45 1HG GLU 7 2HG GLU 7 9.585 2.510 -3.956
46 2HG GLU 7 1HG GLU 7 8.611 2.320 -5.415
47 H ARG 8 H ARG 8 9.763 3.187 -8.246
48 HA ARG 8 HA ARG 8 7.080 4.184 -8.966
49 1HB ARG 8 2HB ARG 8 7.466 2.896 -11.075
50 2HB ARG 8 1HB ARG 8 8.747 4.063 -10.748
51 1HG ARG 8 2HG ARG 8 10.239 2.367 -9.989
52 2HG ARG 8 1HG ARG 8 8.944 1.177 -9.867
53 1HD ARG 8 2HD ARG 8 9.631 0.501 -11.921
54 2HD ARG 8 1HD ARG 8 8.787 1.930 -12.515
55 HE ARG 8 HE ARG 8 10.902 3.037 -12.758
56 1HH1 ARG 8 1HH2 ARG 8 11.533 0.865 -10.331
57 2HH1 ARG 8 2HH2 ARG 8 13.056 0.319 -10.950
58 1HH2 ARG 8 2HH1 ARG 8 12.695 1.926 -13.999
59 2HH2 ARG 8 1HH1 ARG 8 13.712 0.917 -13.027
60 H ASN 9 H ASN 9 5.275 2.753 -9.293
61 HA ASN 9 HA ASN 9 3.877 0.966 -8.703
62 1HB ASN 9 2HB ASN 9 5.411 -0.268 -10.208
63 2HB ASN 9 1HB ASN 9 6.485 -0.577 -8.846
64 1HD2 ASN 9 2HD2 ASN 9 4.634 -3.365 -7.756
65 2HD2 ASN 9 1HD2 ASN 9 6.073 -2.467 -7.669
66 H GLU 10 H GLU 10 3.796 2.174 -6.574
67 HA GLU 10 HA GLU 10 4.755 0.379 -4.391
68 1HB GLU 10 2HB GLU 10 4.696 3.081 -3.385
69 2HB GLU 10 1HB GLU 10 6.059 1.974 -3.452
70 1HG GLU 10 2HG GLU 10 6.766 3.879 -4.669
71 2HG GLU 10 1HG GLU 10 6.319 2.700 -5.903
72 H PHE 11 H PHE 11 3.629 1.767 -2.262
73 HA PHE 11 HA PHE 11 0.789 2.215 -2.945
74 1HB PHE 11 2HB PHE 11 0.740 -0.117 -2.487
75 2HB PHE 11 1HB PHE 11 1.823 0.075 -1.128
76 HD1 PHE 11 HD1 PHE 11 -1.432 1.610 -2.212
77 HD2 PHE 11 HD2 PHE 11 0.830 -0.224 0.943
78 HE1 PHE 11 HE1 PHE 11 -3.364 1.864 -0.677
79 HE2 PHE 11 HE2 PHE 11 -1.098 0.029 2.475
80 HZ PHE 11 HZ PHE 11 -3.198 1.070 1.669
81 H GLN 12 H GLN 12 0.596 4.272 -2.152
82 HA GLN 12 HA GLN 12 2.081 5.184 0.179
83 1HB GLN 12 2HB GLN 12 1.352 6.647 -1.765
84 2HB GLN 12 1HB GLN 12 -0.290 6.539 -1.128
85 1HG GLN 12 2HG GLN 12 0.859 7.270 1.131
86 2HG GLN 12 1HG GLN 12 2.116 7.885 0.057
87 1HE2 GLN 12 2HE2 GLN 12 -1.355 9.914 0.406
88 2HE2 GLN 12 1HE2 GLN 12 -1.000 8.562 1.369
89 H CYS 13 H CYS 13 1.477 4.040 2.006
90 HA CYS 13 HA CYS 13 -1.126 3.168 2.687
91 1HB CYS 13 2HB CYS 13 1.451 3.410 4.013
92 2HB CYS 13 1HB CYS 13 0.150 3.809 5.120
93 H GLN 14 H GLN 14 -2.482 4.040 4.498
94 HA GLN 14 HA GLN 14 -3.318 6.689 3.968
95 1HB GLN 14 2HB GLN 14 -4.720 6.435 6.007
96 2HB GLN 14 1HB GLN 14 -4.840 5.041 4.933
97 1HG GLN 14 2HG GLN 14 -3.259 3.792 6.309
98 2HG GLN 14 1HG GLN 14 -3.004 5.200 7.341
99 1HE2 GLN 14 2HE2 GLN 14 -6.204 4.885 8.968
100 2HE2 GLN 14 1HE2 GLN 14 -5.043 6.030 8.494
101 H ASP 15 H ASP 15 -0.740 5.518 5.982
102 HA ASP 15 HA ASP 15 -0.727 7.771 7.778
103 1HB ASP 15 2HB ASP 15 1.360 6.874 8.587
104 2HB ASP 15 1HB ASP 15 0.248 5.547 8.341
105 H GLY 16 H GLY 16 1.123 6.822 4.955
106 1HA GLY 16 2HA GLY 16 1.478 8.812 3.362
107 2HA GLY 16 1HA GLY 16 2.195 9.570 4.772
108 H LYS 17 H LYS 17 2.705 6.150 4.200
109 HA LYS 17 HA LYS 17 5.518 6.761 3.532
110 1HB LYS 17 2HB LYS 17 4.613 5.316 5.664
111 2HB LYS 17 1HB LYS 17 4.848 4.039 4.472
112 1HG LYS 17 2HG LYS 17 7.131 4.362 4.374
113 2HG LYS 17 1HG LYS 17 7.011 6.077 4.772
114 1HD LYS 17 2HD LYS 17 6.417 5.488 7.101
115 2HD LYS 17 1HD LYS 17 6.571 3.778 6.699
116 1HE LYS 17 2HE LYS 17 8.964 4.654 5.809
117 2HE LYS 17 1HE LYS 17 8.688 5.826 7.099
118 1HZ LYS 17 3HZ LYS 17 8.552 2.874 7.392
119 2HZ LYS 17 2HZ LYS 17 9.837 3.857 7.908
120 3HZ LYS 17 1HZ LYS 17 8.307 4.005 8.631
121 H CYS 18 H CYS 18 6.538 5.159 2.012
122 HA CYS 18 HA CYS 18 4.486 4.089 0.128
123 1HB CYS 18 2HB CYS 18 6.751 4.128 -1.399
124 2HB CYS 18 1HB CYS 18 5.536 5.385 -1.402
125 H ILE 19 H ILE 19 4.701 2.010 -0.606
126 HA ILE 19 HA ILE 19 6.998 0.395 0.376
127 HB ILE 19 HB ILE 19 5.378 -1.397 1.067
128 1HG1 ILE 19 2HG1 ILE 19 3.114 0.339 1.537
129 2HG1 ILE 19 1HG1 ILE 19 3.521 0.383 -0.174
130 1HG2 ILE 19 1HG2 ILE 19 6.226 0.879 2.463
131 2HG2 ILE 19 3HG2 ILE 19 4.511 0.724 2.855
132 3HG2 ILE 19 2HG2 ILE 19 5.609 -0.621 3.142
133 1HD1 ILE 19 3HD1 ILE 19 3.700 -2.341 0.707
134 2HD1 ILE 19 2HD1 ILE 19 2.163 -1.680 1.259
135 3HD1 ILE 19 1HD1 ILE 19 2.574 -1.638 -0.454
136 H SER 20 H SER 20 6.537 -1.985 -0.508
137 HA SER 20 HA SER 20 6.322 -1.672 -3.430
138 1HB SER 20 2HB SER 20 7.762 -3.374 -1.851
139 2HB SER 20 1HB SER 20 6.396 -4.405 -2.270
140 HG SER 20 HG SER 20 8.473 -3.894 -3.743
141 H TYR 21 H TYR 21 4.528 -2.219 -4.662
142 HA TYR 21 HA TYR 21 1.998 -2.485 -3.423
143 1HB TYR 21 2HB TYR 21 2.578 -1.666 -5.790
144 2HB TYR 21 1HB TYR 21 2.531 -3.372 -6.207
145 HD1 TYR 21 HD2 TYR 21 0.444 -4.692 -5.951
146 HD2 TYR 21 HD1 TYR 21 0.564 -0.465 -5.201
147 HE1 TYR 21 HE2 TYR 21 -2.033 -4.610 -6.022
148 HE2 TYR 21 HE1 TYR 21 -1.913 -0.382 -5.270
149 HH TYR 21 HH TYR 21 -3.846 -2.979 -4.964
150 H LYS 22 H LYS 22 4.400 -4.852 -4.148
151 HA LYS 22 HA LYS 22 2.642 -7.120 -4.386
152 1HB LYS 22 2HB LYS 22 4.727 -8.443 -3.795
153 2HB LYS 22 1HB LYS 22 4.857 -7.427 -5.221
154 1HG LYS 22 2HG LYS 22 6.108 -5.842 -4.099
155 2HG LYS 22 1HG LYS 22 5.631 -6.411 -2.513
156 1HD LYS 22 2HD LYS 22 7.910 -7.132 -2.901
157 2HD LYS 22 1HD LYS 22 6.867 -8.551 -2.998
158 1HE LYS 22 2HE LYS 22 7.054 -8.689 -5.324
159 2HE LYS 22 1HE LYS 22 7.496 -6.990 -5.488
160 1HZ LYS 22 2HZ LYS 22 9.239 -8.898 -4.058
161 2HZ LYS 22 1HZ LYS 22 9.326 -8.721 -5.745
162 3HZ LYS 22 3HZ LYS 22 9.643 -7.394 -4.738
163 H TRP 23 H TRP 23 4.114 -5.425 -1.701
164 HA TRP 23 HA TRP 23 3.455 -7.393 0.285
165 1HB TRP 23 2HB TRP 23 4.038 -4.460 0.687
166 2HB TRP 23 1HB TRP 23 4.176 -5.733 1.879
167 HD1 TRP 23 HD1 TRP 23 6.468 -3.700 0.526
168 HE1 TRP 23 HE1 TRP 23 8.670 -4.817 -0.208
169 HE3 TRP 23 HE3 TRP 23 4.958 -8.592 0.235
170 HZ2 TRP 23 HZ2 TRP 23 9.667 -7.417 -0.825
171 HZ3 TRP 23 HZ3 TRP 23 6.562 -10.355 -0.424
172 HH2 TRP 23 HH2 TRP 23 8.914 -9.777 -0.954
173 H VAL 24 H VAL 24 2.107 -4.203 -0.537
174 HA VAL 24 HA VAL 24 0.031 -4.141 1.352
175 HB VAL 24 HB VAL 24 0.640 -2.206 -0.035
176 1HG1 VAL 24 3HG1 VAL 24 1.012 -3.546 -2.099
177 2HG1 VAL 24 2HG1 VAL 24 -0.736 -3.654 -2.294
178 3HG1 VAL 24 1HG1 VAL 24 0.068 -2.083 -2.365
179 1HG2 VAL 24 2HG2 VAL 24 -2.225 -3.143 -0.261
180 2HG2 VAL 24 1HG2 VAL 24 -1.546 -2.007 0.900
181 3HG2 VAL 24 3HG2 VAL 24 -1.705 -1.544 -0.791
182 H CYS 25 H CYS 25 -2.138 -4.833 1.347
183 HA CYS 25 HA CYS 25 -3.915 -6.290 0.903
184 1HB CYS 25 2HB CYS 25 -4.154 -4.932 -1.115
185 2HB CYS 25 1HB CYS 25 -2.889 -5.843 -1.926
186 H ASP 26 H ASP 26 -2.294 -7.802 2.067
187 HA ASP 26 HA ASP 26 -1.956 -10.227 0.385
188 1HB ASP 26 2HB ASP 26 0.224 -8.724 0.747
189 2HB ASP 26 1HB ASP 26 0.252 -9.574 2.292
190 H GLY 27 H GLY 27 -3.812 -9.378 2.545
191 1HA GLY 27 2HA GLY 27 -4.805 -10.304 4.443
192 2HA GLY 27 1HA GLY 27 -3.942 -11.780 4.024
193 H SER 28 H SER 28 -2.314 -8.744 4.708
194 HA SER 28 HA SER 28 -1.782 -9.251 7.495
195 1HB SER 28 2HB SER 28 -0.374 -10.977 5.956
196 2HB SER 28 1HB SER 28 0.732 -9.609 5.947
197 HG SER 28 HG SER 28 -0.400 -10.872 8.229
198 H ALA 29 H ALA 29 -0.369 -7.576 8.388
199 HA ALA 29 HA ALA 29 -0.510 -5.086 6.876
200 1HB ALA 29 2HB ALA 29 0.394 -5.892 9.617
201 2HB ALA 29 1HB ALA 29 0.921 -4.335 8.978
202 3HB ALA 29 3HB ALA 29 -0.800 -4.684 9.143
203 H GLU 30 H GLU 30 0.879 -5.667 5.048
204 HA GLU 30 HA GLU 30 3.777 -5.823 5.693
205 1HB GLU 30 2HB GLU 30 2.434 -6.386 3.041
206 2HB GLU 30 1HB GLU 30 4.059 -6.826 3.542
207 1HG GLU 30 2HG GLU 30 3.169 -8.349 5.235
208 2HG GLU 30 1HG GLU 30 1.526 -7.860 4.822
209 H CYS 31 H CYS 31 2.136 -3.365 5.711
210 HA CYS 31 HA CYS 31 2.986 -1.891 3.290
211 1HB CYS 31 2HB CYS 31 0.743 -1.547 4.470
212 2HB CYS 31 1HB CYS 31 1.645 -0.773 5.764
213 H GLN 32 H GLN 32 4.940 -2.952 5.454
214 HA GLN 32 HA GLN 32 6.823 -2.179 6.612
215 1HB GLN 32 2HB GLN 32 7.345 -1.393 4.289
216 2HB GLN 32 1HB GLN 32 6.565 0.144 4.670
217 1HG GLN 32 2HG GLN 32 8.232 0.782 6.170
218 2HG GLN 32 1HG GLN 32 8.720 -0.882 6.491
219 1HE2 GLN 32 2HE2 GLN 32 11.263 0.735 4.233
220 2HE2 GLN 32 1HE2 GLN 32 10.640 1.124 5.763
221 H ASP 33 H ASP 33 4.093 -1.402 7.475
222 HA ASP 33 HA ASP 33 4.770 0.447 9.581
223 1HB ASP 33 2HB ASP 33 4.420 1.981 7.571
224 2HB ASP 33 1HB ASP 33 2.743 1.436 7.553
225 H GLY 34 H GLY 34 1.803 -0.330 7.699
226 1HA GLY 34 2HA GLY 34 0.587 -2.360 8.796
227 2HA GLY 34 1HA GLY 34 0.587 -1.306 10.197
228 H SER 35 H SER 35 -0.161 -0.742 6.714
229 HA SER 35 HA SER 35 -2.941 -0.102 7.460
230 1HB SER 35 2HB SER 35 -2.161 2.112 5.859
231 2HB SER 35 1HB SER 35 -2.702 2.125 7.532
232 HG SER 35 HG SER 35 -0.516 2.990 7.002
233 H ASP 36 H ASP 36 -1.616 -2.081 5.705
234 HA ASP 36 HA ASP 36 -2.520 -1.230 2.987
235 1HB ASP 36 2HB ASP 36 -1.428 -3.365 2.302
236 2HB ASP 36 1HB ASP 36 -0.316 -2.210 2.993
237 H GLU 37 H GLU 37 -3.218 -3.465 5.601
238 HA GLU 37 HA GLU 37 -4.801 -5.365 4.245
239 1HB GLU 37 2HB GLU 37 -4.459 -4.456 7.020
240 2HB GLU 37 1HB GLU 37 -6.069 -5.096 6.693
241 1HG GLU 37 2HG GLU 37 -3.671 -6.605 5.702
242 2HG GLU 37 1HG GLU 37 -4.122 -6.730 7.403
243 H SER 38 H SER 38 -5.516 -2.015 4.816
244 HA SER 38 HA SER 38 -8.281 -1.899 5.036
245 1HB SER 38 2HB SER 38 -7.926 0.121 3.314
246 2HB SER 38 1HB SER 38 -7.378 0.215 4.985
247 HG SER 38 HG SER 38 -5.879 -0.489 2.679
248 H GLN 39 H GLN 39 -9.921 -2.686 3.816
249 HA GLN 39 HA GLN 39 -9.558 -4.225 1.456
250 1HB GLN 39 2HB GLN 39 -11.917 -2.959 2.812
251 2HB GLN 39 1HB GLN 39 -12.125 -3.617 1.188
252 1HG GLN 39 2HG GLN 39 -10.865 -5.190 3.446
253 2HG GLN 39 1HG GLN 39 -12.590 -5.246 3.085
254 1HE2 GLN 39 2HE2 GLN 39 -12.179 -7.134 0.084
255 2HE2 GLN 39 1HE2 GLN 39 -13.232 -6.112 0.937
256 H GLU 40 H GLU 40 -10.489 -0.760 1.753
257 HA GLU 40 HA GLU 40 -11.195 -0.161 -0.851
258 1HB GLU 40 2HB GLU 40 -9.703 1.328 1.256
259 2HB GLU 40 1HB GLU 40 -9.672 2.004 -0.372
260 1HG GLU 40 2HG GLU 40 -12.288 1.460 -0.235
261 2HG GLU 40 1HG GLU 40 -11.977 1.648 1.491
262 H THR 41 H THR 41 -7.976 -1.028 0.225
263 HA THR 41 HA THR 41 -6.889 -0.498 -2.460
264 HB THR 41 HB THR 41 -5.482 -1.278 0.110
265 HG1 THR 41 HG1 THR 41 -5.699 0.762 0.475
266 1HG2 THR 41 3HG2 THR 41 -4.603 -1.416 -2.602
267 2HG2 THR 41 2HG2 THR 41 -3.769 -0.063 -1.839
268 3HG2 THR 41 1HG2 THR 41 -3.658 -1.675 -1.138
269 H CYS 42 H CYS 42 -7.665 -3.051 -0.199
270 HA CYS 42 HA CYS 42 -6.642 -5.119 -2.078
271 1HB CYS 42 2HB CYS 42 -6.091 -4.991 0.485
272 2HB CYS 42 1HB CYS 42 -7.712 -5.617 0.692
273 H LEU 43 H LEU 43 -9.221 -3.560 -2.379
274 HA LEU 43 HA LEU 43 -11.418 -5.134 -1.606
275 1HB LEU 43 2HB LEU 43 -10.900 -2.874 -3.440
276 2HB LEU 43 1HB LEU 43 -12.300 -3.856 -3.872
277 HG LEU 43 HG LEU 43 -11.834 -2.885 -1.074
278 1HD1 LEU 43 1HD1 LEU 43 -11.933 -0.969 -2.717
279 2HD1 LEU 43 3HD1 LEU 43 -13.546 -1.523 -3.167
280 3HD1 LEU 43 2HD1 LEU 43 -13.231 -0.966 -1.522
281 1HD2 LEU 43 3HD2 LEU 43 -13.519 -4.768 -1.869
282 2HD2 LEU 43 2HD2 LEU 43 -14.019 -3.579 -0.666
283 3HD2 LEU 43 1HD2 LEU 43 -14.499 -3.384 -2.352
284 H SER 44 H SER 44 -12.226 -7.011 -2.440
285 HA SER 44 HA SER 44 -10.806 -8.376 -4.580
286 1HB SER 44 2HB SER 44 -11.917 -9.482 -2.567
287 2HB SER 44 1HB SER 44 -13.459 -9.175 -3.362
288 HG SER 44 HG SER 44 -12.895 -11.131 -4.102
289 H VAL 45 H VAL 45 -13.788 -6.538 -4.299
290 HA VAL 45 HA VAL 45 -14.035 -6.594 -7.254
291 HB VAL 45 HB VAL 45 -15.511 -8.395 -6.436
292 1HG1 VAL 45 3HG1 VAL 45 -15.843 -6.969 -4.197
293 2HG1 VAL 45 2HG1 VAL 45 -17.283 -6.427 -5.060
294 3HG1 VAL 45 1HG1 VAL 45 -17.043 -8.144 -4.735
295 1HG2 VAL 45 3HG2 VAL 45 -16.161 -6.468 -8.232
296 2HG2 VAL 45 2HG2 VAL 45 -17.208 -7.840 -7.870
297 3HG2 VAL 45 1HG2 VAL 45 -17.494 -6.283 -7.091
298 H THR 46 HN THR 46 -14.934 -4.690 -8.091
299 HA THR 46 HA THR 46 -15.666 -2.593 -6.086
300 HB THR 46 HB THR 46 -13.447 -2.087 -6.949
301 HG1 THR 46 HG1 THR 46 -13.916 -0.074 -7.499
302 1HG2 THR 46 2HG2 THR 46 -13.575 -3.469 -8.987
303 2HG2 THR 46 1HG2 THR 46 -14.719 -2.326 -9.690
304 3HG2 THR 46 3HG2 THR 46 -13.058 -1.826 -9.368
No H/Q in entry = 304
Start of MODEL 5
Raw file had 310 H/Q atoms
Start of MODEL 5
1 1H ALA 1 3H ALA 1 13.630 23.656 -4.307
2 2H ALA 1 2H ALA 1 14.072 24.670 -3.018
3 3H ALA 1 1H ALA 1 15.201 23.582 -3.673
4 HA ALA 1 HA ALA 1 14.379 22.733 -1.586
5 1HB ALA 1 3HB ALA 1 12.152 23.996 -1.905
6 2HB ALA 1 2HB ALA 1 11.652 22.615 -2.882
7 3HB ALA 1 1HB ALA 1 12.065 22.390 -1.183
8 H VAL 2 H VAL 2 14.340 20.458 -1.374
9 HA VAL 2 HA VAL 2 13.890 18.888 -3.870
10 HB VAL 2 HB VAL 2 16.251 18.519 -2.000
11 1HG1 VAL 2 3HG1 VAL 2 15.128 17.028 -4.319
12 2HG1 VAL 2 2HG1 VAL 2 16.882 17.201 -4.267
13 3HG1 VAL 2 1HG1 VAL 2 16.031 16.429 -2.929
14 1HG2 VAL 2 2HG2 VAL 2 15.974 19.854 -4.701
15 2HG2 VAL 2 1HG2 VAL 2 16.655 20.532 -3.222
16 3HG2 VAL 2 3HG2 VAL 2 17.523 19.270 -4.097
17 H GLY 3 H GLY 3 12.839 16.956 -3.506
18 1HA GLY 3 2HA GLY 3 12.625 15.963 -0.706
19 2HA GLY 3 1HA GLY 3 11.146 16.258 -1.622
20 H ASP 4 H ASP 4 12.035 13.690 -0.602
21 HA ASP 4 HA ASP 4 12.863 12.215 -3.043
22 1HB ASP 4 2HB ASP 4 12.498 11.311 -0.170
23 2HB ASP 4 1HB ASP 4 13.042 10.272 -1.487
24 H ARG 5 H ARG 5 11.054 11.998 -4.339
25 HA ARG 5 HA ARG 5 8.427 11.413 -3.200
26 1HB ARG 5 2HB ARG 5 9.420 11.514 -6.064
27 2HB ARG 5 1HB ARG 5 7.736 11.335 -5.587
28 1HG ARG 5 2HG ARG 5 7.987 13.488 -4.264
29 2HG ARG 5 1HG ARG 5 9.552 13.693 -5.053
30 1HD ARG 5 2HD ARG 5 7.343 13.075 -6.907
31 2HD ARG 5 1HD ARG 5 7.172 14.614 -6.063
32 HE ARG 5 HE ARG 5 9.786 14.668 -6.939
33 1HH1 ARG 5 2HH1 ARG 5 6.821 15.548 -8.078
34 2HH1 ARG 5 1HH1 ARG 5 7.225 15.500 -9.762
35 1HH2 ARG 5 1HH2 ARG 5 10.289 13.958 -9.254
36 2HH2 ARG 5 2HH2 ARG 5 9.189 14.601 -10.428
37 H CYS 6 H CYS 6 7.206 9.504 -4.386
38 HA CYS 6 HA CYS 6 8.801 7.070 -3.878
39 1HB CYS 6 2HB CYS 6 5.849 7.310 -4.539
40 2HB CYS 6 1HB CYS 6 6.671 5.933 -3.822
41 H GLU 7 H GLU 7 8.337 5.197 -5.480
42 HA GLU 7 HA GLU 7 7.931 6.137 -8.269
43 1HB GLU 7 2HB GLU 7 9.987 4.898 -8.992
44 2HB GLU 7 1HB GLU 7 10.345 6.294 -7.976
45 1HG GLU 7 2HG GLU 7 10.907 4.980 -6.133
46 2HG GLU 7 1HG GLU 7 9.949 3.609 -6.693
47 H ARG 8 H ARG 8 7.918 4.140 -9.776
48 HA ARG 8 HA ARG 8 7.008 2.060 -10.339
49 1HB ARG 8 2HB ARG 8 7.569 1.286 -7.460
50 2HB ARG 8 1HB ARG 8 7.358 0.200 -8.833
51 1HG ARG 8 2HG ARG 8 9.357 1.310 -9.909
52 2HG ARG 8 1HG ARG 8 9.623 2.160 -8.387
53 1HD ARG 8 2HD ARG 8 9.425 -0.855 -8.577
54 2HD ARG 8 1HD ARG 8 10.955 0.017 -8.664
55 HE ARG 8 HE ARG 8 9.282 0.604 -6.309
56 1HH1 ARG 8 2HH1 ARG 8 12.283 0.998 -6.535
57 2HH1 ARG 8 1HH1 ARG 8 12.873 -0.314 -5.570
58 1HH2 ARG 8 1HH2 ARG 8 9.856 -2.025 -5.578
59 2HH2 ARG 8 2HH2 ARG 8 11.498 -2.027 -5.029
60 H ASN 9 H ASN 9 5.361 0.316 -8.850
61 HA ASN 9 HA ASN 9 2.988 2.068 -8.507
62 1HB ASN 9 2HB ASN 9 3.434 -0.780 -9.269
63 2HB ASN 9 1HB ASN 9 1.929 -0.387 -8.438
64 1HD2 ASN 9 2HD2 ASN 9 0.913 1.913 -11.120
65 2HD2 ASN 9 1HD2 ASN 9 1.000 1.905 -9.425
66 H GLU 10 H GLU 10 4.809 2.106 -6.359
67 HA GLU 10 HA GLU 10 4.284 0.266 -4.254
68 1HB GLU 10 2HB GLU 10 4.822 2.336 -2.736
69 2HB GLU 10 1HB GLU 10 6.078 1.669 -3.764
70 1HG GLU 10 2HG GLU 10 5.986 4.143 -3.836
71 2HG GLU 10 1HG GLU 10 5.713 3.422 -5.407
72 H PHE 11 H PHE 11 3.198 1.498 -2.072
73 HA PHE 11 HA PHE 11 0.505 2.423 -2.881
74 1HB PHE 11 2HB PHE 11 0.108 0.172 -2.426
75 2HB PHE 11 1HB PHE 11 1.327 0.130 -1.182
76 HD1 PHE 11 HD1 PHE 11 0.859 1.290 1.051
77 HD2 PHE 11 HD2 PHE 11 -2.178 0.576 -1.903
78 HE1 PHE 11 HE1 PHE 11 -0.893 1.555 2.784
79 HE2 PHE 11 HE2 PHE 11 -3.929 0.849 -0.168
80 HZ PHE 11 HZ PHE 11 -3.284 1.325 2.179
81 H GLN 12 H GLN 12 -0.182 4.170 -1.670
82 HA GLN 12 HA GLN 12 1.684 5.392 0.193
83 1HB GLN 12 2HB GLN 12 0.071 6.613 -1.372
84 2HB GLN 12 1HB GLN 12 -1.203 6.185 -0.229
85 1HG GLN 12 2HG GLN 12 0.152 7.270 1.588
86 2HG GLN 12 1HG GLN 12 1.277 7.827 0.351
87 1HE2 GLN 12 2HE2 GLN 12 -2.070 9.926 1.002
88 2HE2 GLN 12 1HE2 GLN 12 -1.513 8.711 2.048
89 H CYS 13 H CYS 13 1.842 4.876 2.306
90 HA CYS 13 HA CYS 13 0.003 3.101 3.639
91 1HB CYS 13 2HB CYS 13 2.557 4.214 4.179
92 2HB CYS 13 1HB CYS 13 1.533 4.718 5.501
93 H GLN 14 H GLN 14 -0.770 4.002 5.974
94 HA GLN 14 HA GLN 14 -2.822 5.910 5.408
95 1HB GLN 14 2HB GLN 14 -1.903 4.378 7.778
96 2HB GLN 14 1HB GLN 14 -2.799 5.861 8.110
97 1HG GLN 14 2HG GLN 14 -4.329 4.779 6.123
98 2HG GLN 14 1HG GLN 14 -3.736 3.319 6.912
99 1HE2 GLN 14 2HE2 GLN 14 -6.199 5.859 9.005
100 2HE2 GLN 14 1HE2 GLN 14 -5.375 6.438 7.638
101 H ASP 15 H ASP 15 0.497 6.233 6.403
102 HA ASP 15 HA ASP 15 0.019 8.943 7.402
103 1HB ASP 15 2HB ASP 15 2.286 8.877 8.196
104 2HB ASP 15 1HB ASP 15 1.504 7.383 8.652
105 H GLY 16 H GLY 16 1.957 7.284 4.957
106 1HA GLY 16 2HA GLY 16 1.536 8.803 2.755
107 2HA GLY 16 1HA GLY 16 2.657 9.798 3.669
108 H LYS 17 H LYS 17 3.930 7.217 4.742
109 HA LYS 17 HA LYS 17 6.063 7.083 2.879
110 1HB LYS 17 2HB LYS 17 5.781 6.282 5.437
111 2HB LYS 17 1HB LYS 17 5.614 4.726 4.623
112 1HG LYS 17 2HG LYS 17 7.769 4.774 3.784
113 2HG LYS 17 1HG LYS 17 7.832 6.536 3.761
114 1HD LYS 17 2HD LYS 17 7.519 5.862 6.477
115 2HD LYS 17 1HD LYS 17 8.685 4.697 5.849
116 1HE LYS 17 2HE LYS 17 10.061 6.517 4.956
117 2HE LYS 17 1HE LYS 17 8.879 7.704 5.505
118 1HZ LYS 17 2HZ LYS 17 9.248 6.649 7.789
119 2HZ LYS 17 1HZ LYS 17 10.663 5.994 7.117
120 3HZ LYS 17 3HZ LYS 17 10.457 7.676 7.183
121 H CYS 18 H CYS 18 6.166 6.055 0.967
122 HA CYS 18 HA CYS 18 4.038 4.260 0.097
123 1HB CYS 18 2HB CYS 18 6.590 4.998 -1.270
124 2HB CYS 18 1HB CYS 18 5.193 4.287 -2.030
125 H ILE 19 H ILE 19 4.456 2.106 -0.705
126 HA ILE 19 HA ILE 19 6.924 0.783 0.271
127 HB ILE 19 HB ILE 19 5.662 -1.004 1.384
128 1HG1 ILE 19 2HG1 ILE 19 3.072 0.254 1.607
129 2HG1 ILE 19 1HG1 ILE 19 3.469 0.088 -0.103
130 1HG2 ILE 19 1HG2 ILE 19 4.846 1.775 2.291
131 2HG2 ILE 19 3HG2 ILE 19 4.803 0.323 3.292
132 3HG2 ILE 19 2HG2 ILE 19 6.347 0.948 2.710
133 1HD1 ILE 19 1HD1 ILE 19 3.812 -2.195 1.848
134 2HD1 ILE 19 3HD1 ILE 19 2.302 -1.917 0.988
135 3HD1 ILE 19 2HD1 ILE 19 3.772 -2.264 0.092
136 H SER 20 H SER 20 7.239 -1.336 -0.787
137 HA SER 20 HA SER 20 6.592 -1.266 -3.568
138 1HB SER 20 2HB SER 20 8.295 -2.766 -2.042
139 2HB SER 20 1HB SER 20 7.054 -3.961 -2.401
140 HG SER 20 HG SER 20 8.904 -3.568 -3.956
141 H TYR 21 H TYR 21 4.982 -2.266 -4.795
142 HA TYR 21 HA TYR 21 2.453 -2.646 -3.586
143 1HB TYR 21 2HB TYR 21 3.081 -2.032 -6.016
144 2HB TYR 21 1HB TYR 21 3.136 -3.771 -6.238
145 HD1 TYR 21 HD1 TYR 21 0.896 -1.500 -4.258
146 HD2 TYR 21 HD2 TYR 21 1.199 -4.541 -7.277
147 HE1 TYR 21 HE1 TYR 21 -1.577 -1.566 -4.445
148 HE2 TYR 21 HE2 TYR 21 -1.272 -4.607 -7.462
149 HH TYR 21 HH TYR 21 -3.311 -3.439 -5.230
150 H LYS 22 H LYS 22 5.067 -4.861 -3.950
151 HA LYS 22 HA LYS 22 3.528 -7.282 -4.051
152 1HB LYS 22 2HB LYS 22 5.618 -8.342 -3.087
153 2HB LYS 22 1HB LYS 22 5.852 -7.465 -4.591
154 1HG LYS 22 2HG LYS 22 6.799 -5.653 -3.494
155 2HG LYS 22 1HG LYS 22 6.211 -6.153 -1.919
156 1HD LYS 22 2HD LYS 22 8.559 -6.695 -1.982
157 2HD LYS 22 1HD LYS 22 7.677 -8.212 -2.156
158 1HE LYS 22 2HE LYS 22 8.101 -7.005 -4.756
159 2HE LYS 22 1HE LYS 22 9.634 -7.178 -3.901
160 1HZ LYS 22 2HZ LYS 22 8.842 -9.513 -3.375
161 2HZ LYS 22 1HZ LYS 22 7.666 -9.276 -4.578
162 3HZ LYS 22 3HZ LYS 22 9.312 -9.205 -4.979
163 H TRP 23 H TRP 23 4.458 -5.121 -1.482
164 HA TRP 23 HA TRP 23 3.472 -6.922 0.596
165 1HB TRP 23 2HB TRP 23 4.586 -4.125 0.884
166 2HB TRP 23 1HB TRP 23 4.414 -5.331 2.146
167 HD1 TRP 23 HD1 TRP 23 7.090 -3.859 0.549
168 HE1 TRP 23 HE1 TRP 23 9.060 -5.453 0.080
169 HE3 TRP 23 HE3 TRP 23 4.729 -8.364 1.061
170 HZ2 TRP 23 HZ2 TRP 23 9.568 -8.264 -0.056
171 HZ3 TRP 23 HZ3 TRP 23 5.978 -10.479 0.752
172 HH2 TRP 23 HH2 TRP 23 8.394 -10.435 0.196
173 H VAL 24 H VAL 24 1.708 -5.468 -1.469
174 HA VAL 24 HA VAL 24 0.045 -3.910 0.469
175 HB VAL 24 HB VAL 24 0.179 -3.749 -2.558
176 1HG1 VAL 24 1HG1 VAL 24 -1.794 -2.799 -0.636
177 2HG1 VAL 24 3HG1 VAL 24 -1.056 -1.459 -1.512
178 3HG1 VAL 24 2HG1 VAL 24 -1.844 -2.761 -2.397
179 1HG2 VAL 24 1HG2 VAL 24 2.135 -2.882 -1.169
180 2HG2 VAL 24 3HG2 VAL 24 1.358 -1.696 -2.219
181 3HG2 VAL 24 2HG2 VAL 24 1.008 -1.707 -0.492
182 H CYS 25 H CYS 25 -1.746 -4.984 1.141
183 HA CYS 25 HA CYS 25 -3.569 -6.459 1.167
184 1HB CYS 25 2HB CYS 25 -4.466 -5.088 -0.604
185 2HB CYS 25 1HB CYS 25 -3.380 -5.793 -1.792
186 H ASP 26 H ASP 26 -1.872 -8.057 1.840
187 HA ASP 26 HA ASP 26 -1.730 -10.294 -0.123
188 1HB ASP 26 2HB ASP 26 0.486 -8.727 0.940
189 2HB ASP 26 1HB ASP 26 0.661 -10.435 1.344
190 H GLY 27 H GLY 27 -1.314 -9.295 3.282
191 1HA GLY 27 2HA GLY 27 -2.539 -11.848 4.073
192 2HA GLY 27 1HA GLY 27 -1.024 -11.387 4.827
193 H SER 28 H SER 28 -1.045 -9.245 5.973
194 HA SER 28 HA SER 28 -3.680 -8.214 6.769
195 1HB SER 28 2HB SER 28 -3.513 -10.078 8.291
196 2HB SER 28 1HB SER 28 -1.853 -9.661 8.701
197 HG SER 28 HG SER 28 -3.602 -8.959 10.183
198 H ALA 29 H ALA 29 -2.903 -6.187 5.997
199 HA ALA 29 HA ALA 29 -1.844 -4.106 6.183
200 1HB ALA 29 1HB ALA 29 -2.586 -4.803 8.702
201 2HB ALA 29 3HB ALA 29 -0.844 -4.647 8.924
202 3HB ALA 29 2HB ALA 29 -1.782 -3.284 8.314
203 H GLU 30 H GLU 30 -0.223 -5.028 4.654
204 HA GLU 30 HA GLU 30 2.419 -5.523 5.926
205 1HB GLU 30 2HB GLU 30 1.529 -6.173 3.106
206 2HB GLU 30 1HB GLU 30 2.999 -6.705 3.908
207 1HG GLU 30 2HG GLU 30 1.633 -7.910 5.587
208 2HG GLU 30 1HG GLU 30 0.181 -7.402 4.732
209 H CYS 31 H CYS 31 1.287 -2.933 5.613
210 HA CYS 31 HA CYS 31 2.515 -1.649 3.268
211 1HB CYS 31 2HB CYS 31 0.357 -0.878 4.298
212 2HB CYS 31 1HB CYS 31 1.266 -0.397 5.725
213 H GLN 32 H GLN 32 4.548 -2.964 4.770
214 HA GLN 32 HA GLN 32 6.558 -2.617 5.914
215 1HB GLN 32 2HB GLN 32 6.920 -1.287 3.839
216 2HB GLN 32 1HB GLN 32 6.256 0.130 4.650
217 1HG GLN 32 2HG GLN 32 8.100 0.382 6.027
218 2HG GLN 32 1HG GLN 32 8.490 -1.338 5.992
219 1HE2 GLN 32 2HE2 GLN 32 10.386 1.099 3.461
220 2HE2 GLN 32 1HE2 GLN 32 9.514 1.636 4.815
221 H ASP 33 H ASP 33 4.013 -1.984 7.306
222 HA ASP 33 HA ASP 33 5.047 -0.894 9.730
223 1HB ASP 33 2HB ASP 33 4.948 1.208 8.325
224 2HB ASP 33 1HB ASP 33 3.201 0.986 8.228
225 H GLY 34 H GLY 34 2.137 -1.274 7.703
226 1HA GLY 34 2HA GLY 34 0.586 -3.085 8.568
227 2HA GLY 34 1HA GLY 34 0.696 -2.233 10.100
228 H SER 35 H SER 35 -0.022 -1.395 6.694
229 HA SER 35 HA SER 35 -2.584 -0.209 7.539
230 1HB SER 35 2HB SER 35 -0.728 1.558 5.971
231 2HB SER 35 1HB SER 35 -2.141 2.003 6.921
232 HG SER 35 HG SER 35 -0.091 2.462 7.939
233 H ASP 36 H ASP 36 -1.333 -2.288 5.549
234 HA ASP 36 HA ASP 36 -2.659 -1.248 3.068
235 1HB ASP 36 2HB ASP 36 -0.247 -2.863 3.578
236 2HB ASP 36 1HB ASP 36 -1.288 -3.532 2.332
237 H GLU 37 H GLU 37 -3.812 -2.714 5.563
238 HA GLU 37 HA GLU 37 -4.797 -5.207 4.296
239 1HB GLU 37 2HB GLU 37 -4.056 -4.716 6.849
240 2HB GLU 37 1HB GLU 37 -5.778 -4.360 6.976
241 1HG GLU 37 2HG GLU 37 -4.875 -6.866 5.583
242 2HG GLU 37 1HG GLU 37 -4.949 -6.818 7.345
243 H SER 38 H SER 38 -5.749 -1.977 4.334
244 HA SER 38 HA SER 38 -8.488 -1.978 4.881
245 1HB SER 38 2HB SER 38 -7.440 0.105 4.375
246 2HB SER 38 1HB SER 38 -6.881 -0.476 2.810
247 HG SER 38 HG SER 38 -9.557 0.003 3.636
248 H GLN 39 H GLN 39 -10.361 -2.298 3.526
249 HA GLN 39 HA GLN 39 -9.979 -4.467 1.570
250 1HB GLN 39 2HB GLN 39 -12.465 -3.098 2.661
251 2HB GLN 39 1HB GLN 39 -12.508 -4.411 1.484
252 1HG GLN 39 2HG GLN 39 -11.420 -5.921 3.035
253 2HG GLN 39 1HG GLN 39 -11.149 -4.612 4.186
254 1HE2 GLN 39 2HE2 GLN 39 -14.272 -5.105 5.708
255 2HE2 GLN 39 1HE2 GLN 39 -12.673 -4.550 5.832
256 H GLU 40 H GLU 40 -10.654 -1.014 1.559
257 HA GLU 40 HA GLU 40 -11.715 -0.765 -1.061
258 1HB GLU 40 2HB GLU 40 -10.145 1.049 0.750
259 2HB GLU 40 1HB GLU 40 -10.442 1.538 -0.919
260 1HG GLU 40 2HG GLU 40 -12.924 0.858 -0.372
261 2HG GLU 40 1HG GLU 40 -12.412 1.088 1.300
262 H THR 41 H THR 41 -8.453 -1.111 0.158
263 HA THR 41 HA THR 41 -7.283 -0.965 -2.527
264 HB THR 41 HB THR 41 -5.997 -1.373 0.189
265 HG1 THR 41 HG1 THR 41 -6.329 0.902 -1.463
266 1HG2 THR 41 3HG2 THR 41 -4.788 -2.163 -1.979
267 2HG2 THR 41 2HG2 THR 41 -4.598 -0.441 -2.305
268 3HG2 THR 41 1HG2 THR 41 -3.905 -1.145 -0.844
269 H CYS 42 H CYS 42 -8.263 -3.260 -0.098
270 HA CYS 42 HA CYS 42 -7.072 -5.490 -1.678
271 1HB CYS 42 2HB CYS 42 -6.416 -4.979 0.827
272 2HB CYS 42 1HB CYS 42 -7.967 -5.706 1.182
273 H LEU 43 H LEU 43 -9.497 -4.405 -2.502
274 HA LEU 43 HA LEU 43 -11.767 -5.616 -1.277
275 1HB LEU 43 2HB LEU 43 -12.966 -4.932 -3.338
276 2HB LEU 43 1HB LEU 43 -11.987 -3.626 -2.672
277 HG LEU 43 HG LEU 43 -10.172 -4.801 -4.329
278 1HD1 LEU 43 3HD1 LEU 43 -12.293 -6.247 -5.029
279 2HD1 LEU 43 2HD1 LEU 43 -12.628 -4.836 -6.034
280 3HD1 LEU 43 1HD1 LEU 43 -11.115 -5.719 -6.231
281 1HD2 LEU 43 2HD2 LEU 43 -12.169 -2.586 -4.701
282 2HD2 LEU 43 1HD2 LEU 43 -10.420 -2.484 -4.501
283 3HD2 LEU 43 3HD2 LEU 43 -11.102 -3.016 -6.038
284 H SER 44 H SER 44 -13.091 -7.349 -2.121
285 HA SER 44 HA SER 44 -12.249 -9.064 -4.276
286 1HB SER 44 2HB SER 44 -11.393 -9.752 -1.477
287 2HB SER 44 1HB SER 44 -11.811 -11.042 -2.600
288 HG SER 44 HG SER 44 -9.561 -10.393 -2.613
289 H VAL 45 H VAL 45 -13.448 -11.379 -3.799
290 HA VAL 45 HA VAL 45 -16.084 -10.757 -2.542
291 HB VAL 45 HB VAL 45 -16.256 -10.528 -5.008
292 1HG1 VAL 45 1HG1 VAL 45 -14.414 -12.207 -5.475
293 2HG1 VAL 45 3HG1 VAL 45 -15.585 -13.478 -5.127
294 3HG1 VAL 45 2HG1 VAL 45 -15.851 -12.381 -6.481
295 1HG2 VAL 45 3HG2 VAL 45 -17.991 -11.762 -3.361
296 2HG2 VAL 45 2HG2 VAL 45 -18.303 -11.566 -5.086
297 3HG2 VAL 45 1HG2 VAL 45 -17.670 -13.093 -4.472
298 H THR 46 HN THR 46 -14.036 -12.153 -1.246
299 HA THR 46 HA THR 46 -14.821 -15.024 -1.477
300 HB THR 46 HB THR 46 -12.599 -14.097 0.306
301 HG1 THR 46 HG1 THR 46 -12.111 -12.992 -1.534
302 1HG2 THR 46 2HG2 THR 46 -13.419 -16.529 -1.203
303 2HG2 THR 46 1HG2 THR 46 -11.689 -16.245 -1.019
304 3HG2 THR 46 3HG2 THR 46 -12.715 -16.388 0.407
No H/Q in entry = 304
Start of MODEL 6
Raw file had 310 H/Q atoms
Start of MODEL 6
1 1H ALA 1 3H ALA 1 15.261 -3.219 4.414
2 2H ALA 1 2H ALA 1 14.236 -3.259 5.768
3 3H ALA 1 1H ALA 1 13.654 -2.696 4.273
4 HA ALA 1 HA ALA 1 14.069 -0.826 5.705
5 1HB ALA 1 1HB ALA 1 15.739 -1.938 7.150
6 2HB ALA 1 3HB ALA 1 16.891 -1.936 5.815
7 3HB ALA 1 2HB ALA 1 16.360 -0.411 6.524
8 H VAL 2 H VAL 2 14.071 0.867 4.316
9 HA VAL 2 HA VAL 2 16.026 0.840 2.055
10 HB VAL 2 HB VAL 2 13.184 1.883 1.918
11 1HG1 VAL 2 1HG1 VAL 2 15.397 1.493 -0.111
12 2HG1 VAL 2 3HG1 VAL 2 13.718 1.780 -0.564
13 3HG1 VAL 2 2HG1 VAL 2 14.609 3.004 0.341
14 1HG2 VAL 2 3HG2 VAL 2 13.336 -0.617 2.187
15 2HG2 VAL 2 2HG2 VAL 2 12.646 -0.112 0.645
16 3HG2 VAL 2 1HG2 VAL 2 14.319 -0.665 0.724
17 H GLY 3 H GLY 3 13.633 3.083 3.459
18 1HA GLY 3 2HA GLY 3 13.886 5.280 4.252
19 2HA GLY 3 1HA GLY 3 15.593 4.908 4.503
20 H ASP 4 H ASP 4 13.449 5.237 1.648
21 HA ASP 4 HA ASP 4 15.188 7.387 0.606
22 1HB ASP 4 2HB ASP 4 14.697 4.825 -0.943
23 2HB ASP 4 1HB ASP 4 15.563 6.243 -1.536
24 H ARG 5 H ARG 5 14.206 7.779 -1.850
25 HA ARG 5 HA ARG 5 11.528 8.740 -1.392
26 1HB ARG 5 2HB ARG 5 13.431 8.666 -3.685
27 2HB ARG 5 1HB ARG 5 11.725 8.885 -4.068
28 1HG ARG 5 2HG ARG 5 11.666 10.981 -3.188
29 2HG ARG 5 1HG ARG 5 12.674 10.536 -1.813
30 1HD ARG 5 2HD ARG 5 13.989 10.611 -4.486
31 2HD ARG 5 1HD ARG 5 13.562 12.158 -3.757
32 HE ARG 5 HE ARG 5 15.735 10.486 -2.922
33 1HH1 ARG 5 1HH2 ARG 5 14.419 10.029 -0.454
34 2HH1 ARG 5 2HH2 ARG 5 14.654 11.480 0.463
35 1HH2 ARG 5 2HH1 ARG 5 15.497 13.406 -2.293
36 2HH2 ARG 5 1HH1 ARG 5 15.264 13.390 -0.577
37 H CYS 6 H CYS 6 9.951 8.139 -3.477
38 HA CYS 6 HA CYS 6 9.363 5.280 -3.050
39 1HB CYS 6 2HB CYS 6 7.768 7.313 -4.617
40 2HB CYS 6 1HB CYS 6 7.212 5.773 -4.002
41 H GLU 7 H GLU 7 8.953 3.874 -4.863
42 HA GLU 7 HA GLU 7 9.835 4.738 -7.537
43 1HB GLU 7 2HB GLU 7 11.529 2.905 -7.688
44 2HB GLU 7 1HB GLU 7 11.964 4.148 -6.514
45 1HG GLU 7 2HG GLU 7 10.944 2.711 -4.717
46 2HG GLU 7 1HG GLU 7 10.734 1.443 -5.925
47 H ARG 8 H ARG 8 9.398 3.070 -9.178
48 HA ARG 8 HA ARG 8 8.019 1.453 -10.157
49 1HB ARG 8 2HB ARG 8 9.322 0.254 -8.016
50 2HB ARG 8 1HB ARG 8 7.632 -0.157 -7.731
51 1HG ARG 8 2HG ARG 8 8.275 -1.892 -9.143
52 2HG ARG 8 1HG ARG 8 7.657 -0.725 -10.312
53 1HD ARG 8 2HD ARG 8 9.920 0.099 -10.738
54 2HD ARG 8 1HD ARG 8 10.569 -0.982 -9.504
55 HE ARG 8 HE ARG 8 9.179 -2.605 -11.348
56 1HH1 ARG 8 2HH1 ARG 8 10.587 -0.298 -12.967
57 2HH1 ARG 8 1HH1 ARG 8 12.008 -1.143 -13.483
58 1HH2 ARG 8 1HH2 ARG 8 11.568 -3.775 -11.268
59 2HH2 ARG 8 2HH2 ARG 8 12.564 -3.111 -12.520
60 H ASN 9 H ASN 9 5.922 -0.081 -9.065
61 HA ASN 9 HA ASN 9 3.905 2.041 -8.667
62 1HB ASN 9 2HB ASN 9 3.687 0.056 -10.306
63 2HB ASN 9 1HB ASN 9 3.361 -0.923 -8.874
64 1HD2 ASN 9 2HD2 ASN 9 0.073 0.304 -8.468
65 2HD2 ASN 9 1HD2 ASN 9 1.289 -0.725 -7.886
66 H GLU 10 H GLU 10 5.335 2.050 -6.444
67 HA GLU 10 HA GLU 10 4.714 0.159 -4.400
68 1HB GLU 10 2HB GLU 10 5.036 2.344 -2.861
69 2HB GLU 10 1HB GLU 10 6.389 1.513 -3.601
70 1HG GLU 10 2HG GLU 10 6.430 4.007 -3.841
71 2HG GLU 10 1HG GLU 10 6.508 3.133 -5.364
72 H PHE 11 H PHE 11 3.485 1.451 -2.284
73 HA PHE 11 HA PHE 11 0.827 2.276 -3.274
74 1HB PHE 11 2HB PHE 11 0.391 0.032 -2.887
75 2HB PHE 11 1HB PHE 11 1.571 -0.065 -1.607
76 HD1 PHE 11 HD1 PHE 11 -1.573 1.883 -2.291
77 HD2 PHE 11 HD2 PHE 11 0.713 -0.434 0.512
78 HE1 PHE 11 HE1 PHE 11 -3.372 2.146 -0.602
79 HE2 PHE 11 HE2 PHE 11 -1.083 -0.173 2.197
80 HZ PHE 11 HZ PHE 11 -3.126 1.112 1.644
81 H GLN 12 H GLN 12 0.257 4.147 -2.256
82 HA GLN 12 HA GLN 12 1.828 5.188 -0.050
83 1HB GLN 12 2HB GLN 12 0.675 6.572 -1.846
84 2HB GLN 12 1HB GLN 12 -0.848 6.215 -1.032
85 1HG GLN 12 2HG GLN 12 0.401 7.071 1.107
86 2HG GLN 12 1HG GLN 12 1.477 7.848 -0.055
87 1HE2 GLN 12 1HE2 GLN 12 0.756 9.795 -0.983
88 2HE2 GLN 12 2HE2 GLN 12 -0.823 10.401 -0.824
89 H CYS 13 H CYS 13 1.598 4.212 1.927
90 HA CYS 13 HA CYS 13 -0.707 2.795 2.832
91 1HB CYS 13 2HB CYS 13 1.863 3.336 3.844
92 2HB CYS 13 1HB CYS 13 0.783 4.049 5.014
93 H GLN 14 H GLN 14 -1.484 3.700 5.227
94 HA GLN 14 HA GLN 14 -3.107 6.023 4.597
95 1HB GLN 14 2HB GLN 14 -3.835 3.925 5.941
96 2HB GLN 14 1HB GLN 14 -2.966 4.669 7.284
97 1HG GLN 14 2HG GLN 14 -4.985 5.673 7.666
98 2HG GLN 14 1HG GLN 14 -4.412 6.799 6.435
99 1HE2 GLN 14 2HE2 GLN 14 -7.110 3.917 5.247
100 2HE2 GLN 14 1HE2 GLN 14 -6.000 3.548 6.477
101 H ASP 15 H ASP 15 -0.103 5.347 6.217
102 HA ASP 15 HA ASP 15 -0.154 7.666 7.928
103 1HB ASP 15 2HB ASP 15 2.180 7.116 8.366
104 2HB ASP 15 1HB ASP 15 1.202 5.668 8.436
105 H GLY 16 H GLY 16 1.362 6.821 4.865
106 1HA GLY 16 2HA GLY 16 1.150 8.768 3.189
107 2HA GLY 16 1HA GLY 16 1.960 9.690 4.441
108 H LYS 17 H LYS 17 2.959 6.385 3.943
109 HA LYS 17 HA LYS 17 5.431 7.398 2.688
110 1HB LYS 17 2HB LYS 17 5.157 5.949 5.044
111 2HB LYS 17 1HB LYS 17 5.609 4.722 3.862
112 1HG LYS 17 2HG LYS 17 7.707 5.467 4.516
113 2HG LYS 17 1HG LYS 17 7.404 6.535 3.146
114 1HD LYS 17 2HD LYS 17 6.303 7.546 5.684
115 2HD LYS 17 1HD LYS 17 8.058 7.372 5.698
116 1HE LYS 17 2HE LYS 17 7.679 8.513 3.245
117 2HE LYS 17 1HE LYS 17 6.360 9.244 4.158
118 1HZ LYS 17 1HZ LYS 17 8.291 9.526 5.919
119 2HZ LYS 17 3HZ LYS 17 9.248 9.513 4.518
120 3HZ LYS 17 2HZ LYS 17 8.019 10.672 4.694
121 H CYS 18 H CYS 18 6.531 5.394 1.460
122 HA CYS 18 HA CYS 18 4.379 4.192 -0.229
123 1HB CYS 18 2HB CYS 18 6.560 3.943 -1.824
124 2HB CYS 18 1HB CYS 18 5.461 5.301 -1.906
125 H ILE 19 H ILE 19 4.544 2.023 -0.756
126 HA ILE 19 HA ILE 19 6.785 0.489 0.477
127 HB ILE 19 HB ILE 19 5.165 -1.186 1.316
128 1HG1 ILE 19 2HG1 ILE 19 2.744 0.259 1.373
129 2HG1 ILE 19 1HG1 ILE 19 3.330 0.437 -0.277
130 1HG2 ILE 19 2HG2 ILE 19 5.770 1.312 2.403
131 2HG2 ILE 19 1HG2 ILE 19 4.022 1.178 2.599
132 3HG2 ILE 19 3HG2 ILE 19 5.081 -0.065 3.248
133 1HD1 ILE 19 3HD1 ILE 19 3.816 -2.242 0.282
134 2HD1 ILE 19 2HD1 ILE 19 2.271 -1.933 1.072
135 3HD1 ILE 19 1HD1 ILE 19 2.458 -1.615 -0.651
136 H SER 20 H SER 20 6.945 -1.717 -0.455
137 HA SER 20 HA SER 20 6.584 -1.619 -3.340
138 1HB SER 20 2HB SER 20 8.136 -3.146 -1.640
139 2HB SER 20 1HB SER 20 6.916 -4.309 -2.146
140 HG SER 20 HG SER 20 7.964 -4.410 -3.954
141 H TYR 21 H TYR 21 4.892 -2.446 -4.571
142 HA TYR 21 HA TYR 21 2.361 -2.849 -3.374
143 1HB TYR 21 2HB TYR 21 2.948 -2.157 -5.781
144 2HB TYR 21 1HB TYR 21 3.052 -3.886 -6.070
145 HD1 TYR 21 HD2 TYR 21 0.812 -1.130 -5.083
146 HD2 TYR 21 HD1 TYR 21 1.084 -5.310 -6.031
147 HE1 TYR 21 HE2 TYR 21 -1.661 -1.260 -5.218
148 HE2 TYR 21 HE1 TYR 21 -1.389 -5.441 -6.164
149 HH TYR 21 HH TYR 21 -3.288 -3.990 -6.520
150 H LYS 22 H LYS 22 4.967 -5.066 -3.841
151 HA LYS 22 HA LYS 22 3.431 -7.478 -4.036
152 1HB LYS 22 2HB LYS 22 5.532 -8.580 -3.162
153 2HB LYS 22 1HB LYS 22 5.751 -7.616 -4.612
154 1HG LYS 22 2HG LYS 22 6.704 -5.869 -3.416
155 2HG LYS 22 1HG LYS 22 6.132 -6.464 -1.871
156 1HD LYS 22 2HD LYS 22 8.508 -6.952 -2.042
157 2HD LYS 22 1HD LYS 22 7.615 -8.468 -2.171
158 1HE LYS 22 2HE LYS 22 8.229 -8.789 -4.342
159 2HE LYS 22 1HE LYS 22 8.087 -7.077 -4.739
160 1HZ LYS 22 2HZ LYS 22 10.164 -6.813 -3.309
161 2HZ LYS 22 1HZ LYS 22 10.347 -8.494 -3.475
162 3HZ LYS 22 3HZ LYS 22 10.353 -7.502 -4.850
163 H TRP 23 H TRP 23 4.468 -5.484 -1.358
164 HA TRP 23 HA TRP 23 3.731 -7.369 0.678
165 1HB TRP 23 2HB TRP 23 4.178 -4.397 0.937
166 2HB TRP 23 1HB TRP 23 4.225 -5.583 2.226
167 HD1 TRP 23 HD1 TRP 23 6.603 -3.590 0.923
168 HE1 TRP 23 HE1 TRP 23 8.884 -4.703 0.481
169 HE3 TRP 23 HE3 TRP 23 5.225 -8.530 0.908
170 HZ2 TRP 23 HZ2 TRP 23 9.984 -7.317 0.169
171 HZ3 TRP 23 HZ3 TRP 23 6.914 -10.295 0.540
172 HH2 TRP 23 HH2 TRP 23 9.291 -9.698 0.173
173 H VAL 24 H VAL 24 2.285 -4.316 -0.480
174 HA VAL 24 HA VAL 24 0.034 -4.321 1.224
175 HB VAL 24 HB VAL 24 0.674 -2.392 -0.179
176 1HG1 VAL 24 1HG1 VAL 24 1.162 -3.863 -2.193
177 2HG1 VAL 24 3HG1 VAL 24 -0.574 -3.860 -2.494
178 3HG1 VAL 24 2HG1 VAL 24 0.331 -2.344 -2.522
179 1HG2 VAL 24 2HG2 VAL 24 -2.107 -3.504 -0.346
180 2HG2 VAL 24 1HG2 VAL 24 -1.511 -2.122 0.571
181 3HG2 VAL 24 3HG2 VAL 24 -1.715 -2.001 -1.176
182 H CYS 25 H CYS 25 -2.032 -5.195 1.079
183 HA CYS 25 HA CYS 25 -3.659 -6.782 0.542
184 1HB CYS 25 2HB CYS 25 -2.489 -6.121 -2.160
185 2HB CYS 25 1HB CYS 25 -3.714 -7.379 -2.002
186 H ASP 26 H ASP 26 -1.943 -8.086 1.866
187 HA ASP 26 HA ASP 26 -1.325 -10.538 0.296
188 1HB ASP 26 2HB ASP 26 0.692 -8.872 0.773
189 2HB ASP 26 1HB ASP 26 0.646 -9.638 2.362
190 H GLY 27 H GLY 27 -3.379 -9.703 2.352
191 1HA GLY 27 2HA GLY 27 -4.434 -10.638 4.210
192 2HA GLY 27 1HA GLY 27 -3.527 -12.098 3.832
193 H SER 28 H SER 28 -1.964 -9.042 4.565
194 HA SER 28 HA SER 28 -1.506 -9.650 7.375
195 1HB SER 28 2HB SER 28 0.110 -11.073 5.691
196 2HB SER 28 1HB SER 28 1.078 -9.622 5.932
197 HG SER 28 HG SER 28 1.481 -10.290 7.874
198 H ALA 29 H ALA 29 -0.458 -7.895 8.447
199 HA ALA 29 HA ALA 29 -0.640 -5.345 7.022
200 1HB ALA 29 1HB ALA 29 0.254 -6.011 9.845
201 2HB ALA 29 3HB ALA 29 0.017 -4.379 9.225
202 3HB ALA 29 2HB ALA 29 -1.356 -5.476 9.363
203 H GLU 30 H GLU 30 1.072 -5.755 5.427
204 HA GLU 30 HA GLU 30 3.799 -5.430 6.583
205 1HB GLU 30 2HB GLU 30 4.444 -6.446 4.229
206 2HB GLU 30 1HB GLU 30 4.031 -7.502 5.570
207 1HG GLU 30 2HG GLU 30 1.646 -7.502 4.682
208 2HG GLU 30 1HG GLU 30 2.264 -6.680 3.248
209 H CYS 31 H CYS 31 2.027 -3.282 5.978
210 HA CYS 31 HA CYS 31 2.922 -2.117 3.406
211 1HB CYS 31 2HB CYS 31 0.581 -1.832 4.256
212 2HB CYS 31 1HB CYS 31 1.222 -0.964 5.639
213 H GLN 32 H GLN 32 5.003 -2.650 5.445
214 HA GLN 32 HA GLN 32 6.724 -1.575 6.617
215 1HB GLN 32 2HB GLN 32 7.069 -0.744 4.259
216 2HB GLN 32 1HB GLN 32 6.105 0.677 4.670
217 1HG GLN 32 2HG GLN 32 7.731 1.570 6.038
218 2HG GLN 32 1HG GLN 32 8.359 -0.013 6.498
219 1HE2 GLN 32 2HE2 GLN 32 9.664 1.678 2.979
220 2HE2 GLN 32 1HE2 GLN 32 8.176 2.172 3.632
221 H ASP 33 H ASP 33 3.921 -1.234 7.512
222 HA ASP 33 HA ASP 33 4.256 0.591 9.662
223 1HB ASP 33 2HB ASP 33 3.836 2.046 7.434
224 2HB ASP 33 1HB ASP 33 2.159 1.668 7.828
225 H GLY 34 H GLY 34 1.460 -0.182 7.513
226 1HA GLY 34 2HA GLY 34 0.278 -2.344 8.376
227 2HA GLY 34 1HA GLY 34 0.143 -1.405 9.851
228 H SER 35 H SER 35 -0.568 -0.897 6.352
229 HA SER 35 HA SER 35 -3.344 -0.217 7.059
230 1HB SER 35 2HB SER 35 -2.148 1.852 5.332
231 2HB SER 35 1HB SER 35 -3.304 2.014 6.649
232 HG SER 35 HG SER 35 -1.616 1.868 8.107
233 H ASP 36 H ASP 36 -1.766 -2.177 5.303
234 HA ASP 36 HA ASP 36 -2.695 -1.440 2.590
235 1HB ASP 36 2HB ASP 36 -1.576 -3.563 1.958
236 2HB ASP 36 1HB ASP 36 -0.493 -2.430 2.736
237 H GLU 37 H GLU 37 -3.360 -3.839 5.110
238 HA GLU 37 HA GLU 37 -5.062 -5.546 3.613
239 1HB GLU 37 2HB GLU 37 -4.703 -4.934 6.523
240 2HB GLU 37 1HB GLU 37 -6.087 -5.905 6.025
241 1HG GLU 37 2HG GLU 37 -3.316 -6.549 5.031
242 2HG GLU 37 1HG GLU 37 -3.876 -7.143 6.595
243 H SER 38 H SER 38 -5.660 -2.308 4.672
244 HA SER 38 HA SER 38 -8.375 -2.217 5.256
245 1HB SER 38 2HB SER 38 -8.285 0.024 3.912
246 2HB SER 38 1HB SER 38 -7.288 -0.150 5.354
247 HG SER 38 HG SER 38 -6.033 0.621 3.653
248 H GLN 39 H GLN 39 -10.273 -2.433 4.106
249 HA GLN 39 HA GLN 39 -10.246 -3.831 1.598
250 1HB GLN 39 2HB GLN 39 -12.089 -3.852 3.371
251 2HB GLN 39 1HB GLN 39 -12.593 -2.290 2.727
252 1HG GLN 39 2HG GLN 39 -12.743 -3.368 0.449
253 2HG GLN 39 1HG GLN 39 -12.464 -4.923 1.235
254 1HE2 GLN 39 2HE2 GLN 39 -16.192 -3.816 1.030
255 2HE2 GLN 39 1HE2 GLN 39 -14.958 -3.526 -0.098
256 H GLU 40 H GLU 40 -10.462 -0.423 2.432
257 HA GLU 40 HA GLU 40 -11.438 0.571 -0.032
258 1HB GLU 40 2HB GLU 40 -9.852 1.677 2.240
259 2HB GLU 40 1HB GLU 40 -9.882 2.602 0.740
260 1HG GLU 40 2HG GLU 40 -12.499 1.560 1.678
261 2HG GLU 40 1HG GLU 40 -11.781 2.838 2.657
262 H THR 41 H THR 41 -8.265 -0.550 0.920
263 HA THR 41 HA THR 41 -6.984 0.511 -1.479
264 HB THR 41 HB THR 41 -5.918 -1.252 0.744
265 HG1 THR 41 HG1 THR 41 -5.110 0.623 1.551
266 1HG2 THR 41 2HG2 THR 41 -4.684 -1.444 -1.444
267 2HG2 THR 41 1HG2 THR 41 -4.365 0.287 -1.356
268 3HG2 THR 41 3HG2 THR 41 -3.709 -0.796 -0.128
269 H CYS 42 H CYS 42 -7.967 -2.647 -0.162
270 HA CYS 42 HA CYS 42 -7.057 -3.992 -2.617
271 1HB CYS 42 2HB CYS 42 -7.162 -4.651 0.091
272 2HB CYS 42 1HB CYS 42 -8.470 -5.576 -0.614
273 H LEU 43 H LEU 43 -10.017 -4.078 -0.625
274 HA LEU 43 HA LEU 43 -12.213 -4.652 -1.199
275 1HB LEU 43 2HB LEU 43 -13.072 -2.912 -3.010
276 2HB LEU 43 1HB LEU 43 -12.635 -2.402 -1.391
277 HG LEU 43 HG LEU 43 -10.288 -1.942 -2.385
278 1HD1 LEU 43 3HD1 LEU 43 -11.186 -3.178 -4.587
279 2HD1 LEU 43 2HD1 LEU 43 -11.746 -1.551 -4.967
280 3HD1 LEU 43 1HD1 LEU 43 -10.030 -1.851 -4.689
281 1HD2 LEU 43 1HD2 LEU 43 -12.071 -0.263 -1.725
282 2HD2 LEU 43 3HD2 LEU 43 -10.953 0.284 -2.975
283 3HD2 LEU 43 2HD2 LEU 43 -12.575 -0.254 -3.415
284 H SER 44 H SER 44 -13.730 -4.617 -3.490
285 HA SER 44 HA SER 44 -14.322 -6.042 -5.239
286 1HB SER 44 2HB SER 44 -12.860 -6.031 -7.115
287 2HB SER 44 1HB SER 44 -12.581 -4.500 -6.294
288 HG SER 44 HG SER 44 -10.586 -5.110 -6.142
289 H VAL 45 H VAL 45 -14.757 -7.991 -4.223
290 HA VAL 45 HA VAL 45 -12.485 -9.874 -3.809
291 HB VAL 45 HB VAL 45 -15.368 -10.133 -2.900
292 1HG1 VAL 45 1HG1 VAL 45 -12.831 -11.693 -2.396
293 2HG1 VAL 45 3HG1 VAL 45 -14.196 -11.768 -1.283
294 3HG1 VAL 45 2HG1 VAL 45 -14.391 -12.294 -2.955
295 1HG2 VAL 45 2HG2 VAL 45 -13.616 -8.260 -1.976
296 2HG2 VAL 45 1HG2 VAL 45 -14.846 -9.020 -0.969
297 3HG2 VAL 45 3HG2 VAL 45 -13.192 -9.626 -0.946
298 H THR 46 HN THR 46 -15.550 -9.478 -5.518
299 HA THR 46 HA THR 46 -16.452 -10.634 -7.348
300 HB THR 46 HB THR 46 -13.747 -11.910 -7.747
301 HG1 THR 46 HG1 THR 46 -12.996 -10.042 -8.551
302 1HG2 THR 46 1HG2 THR 46 -16.152 -11.247 -9.379
303 2HG2 THR 46 3HG2 THR 46 -14.580 -11.132 -10.170
304 3HG2 THR 46 2HG2 THR 46 -15.096 -12.659 -9.452
No H/Q in entry = 304
Start of MODEL 7
Raw file had 310 H/Q atoms
Start of MODEL 7
1 1H ALA 1 2H ALA 1 10.584 14.115 -8.770
2 2H ALA 1 1H ALA 1 10.987 12.747 -9.695
3 3H ALA 1 3H ALA 1 12.214 13.714 -9.035
4 HA ALA 1 HA ALA 1 11.890 15.423 -10.530
5 1HB ALA 1 2HB ALA 1 11.348 12.763 -11.866
6 2HB ALA 1 1HB ALA 1 11.601 14.247 -12.784
7 3HB ALA 1 3HB ALA 1 12.884 13.623 -11.748
8 H VAL 2 H VAL 2 9.083 13.298 -10.330
9 HA VAL 2 HA VAL 2 7.427 15.394 -11.657
10 HB VAL 2 HB VAL 2 6.680 12.535 -10.974
11 1HG1 VAL 2 3HG1 VAL 2 4.831 14.239 -11.248
12 2HG1 VAL 2 2HG1 VAL 2 5.395 14.491 -12.900
13 3HG1 VAL 2 1HG1 VAL 2 4.777 12.913 -12.410
14 1HG2 VAL 2 3HG2 VAL 2 8.037 13.782 -13.330
15 2HG2 VAL 2 2HG2 VAL 2 8.260 12.180 -12.628
16 3HG2 VAL 2 1HG2 VAL 2 6.855 12.511 -13.640
17 H GLY 3 H GLY 3 7.689 13.418 -8.733
18 1HA GLY 3 2HA GLY 3 6.979 13.960 -6.542
19 2HA GLY 3 1HA GLY 3 6.346 15.485 -7.166
20 H ASP 4 H ASP 4 4.218 15.534 -6.623
21 HA ASP 4 HA ASP 4 1.971 14.922 -6.501
22 1HB ASP 4 2HB ASP 4 2.213 14.652 -8.929
23 2HB ASP 4 1HB ASP 4 2.793 13.005 -8.708
24 H ARG 5 H ARG 5 2.869 11.604 -7.378
25 HA ARG 5 HA ARG 5 2.251 10.818 -4.565
26 1HB ARG 5 2HB ARG 5 0.954 10.045 -6.879
27 2HB ARG 5 1HB ARG 5 2.073 8.713 -6.614
28 1HG ARG 5 2HG ARG 5 1.029 9.280 -4.067
29 2HG ARG 5 1HG ARG 5 -0.353 9.401 -5.153
30 1HD ARG 5 2HD ARG 5 1.477 7.089 -5.563
31 2HD ARG 5 1HD ARG 5 0.459 7.055 -4.124
32 HE ARG 5 HE ARG 5 -1.495 7.389 -5.730
33 1HH1 ARG 5 1HH2 ARG 5 0.815 5.039 -6.024
34 2HH1 ARG 5 2HH2 ARG 5 0.486 4.641 -7.677
35 1HH2 ARG 5 2HH1 ARG 5 -1.625 7.345 -8.185
36 2HH2 ARG 5 1HH1 ARG 5 -0.895 5.947 -8.901
37 H CYS 6 H CYS 6 3.118 8.204 -4.699
38 HA CYS 6 HA CYS 6 5.987 8.523 -4.390
39 1HB CYS 6 2HB CYS 6 4.241 6.047 -4.352
40 2HB CYS 6 1HB CYS 6 5.912 6.121 -3.811
41 H GLU 7 H GLU 7 7.452 6.778 -5.484
42 HA GLU 7 HA GLU 7 6.591 6.211 -8.277
43 1HB GLU 7 2HB GLU 7 9.239 7.515 -7.587
44 2HB GLU 7 1HB GLU 7 8.635 7.140 -9.200
45 1HG GLU 7 2HG GLU 7 6.573 8.624 -8.322
46 2HG GLU 7 1HG GLU 7 7.860 9.342 -7.354
47 H ARG 8 H ARG 8 8.439 4.864 -9.369
48 HA ARG 8 HA ARG 8 9.817 2.975 -9.395
49 1HB ARG 8 2HB ARG 8 10.990 4.328 -7.503
50 2HB ARG 8 1HB ARG 8 10.200 3.186 -6.416
51 1HG ARG 8 2HG ARG 8 11.216 1.484 -8.297
52 2HG ARG 8 1HG ARG 8 12.439 2.755 -8.304
53 1HD ARG 8 2HD ARG 8 12.579 2.568 -5.813
54 2HD ARG 8 1HD ARG 8 11.459 1.208 -5.888
55 HE ARG 8 HE ARG 8 13.573 0.600 -7.651
56 1HH1 ARG 8 2HH1 ARG 8 12.492 -0.111 -4.608
57 2HH1 ARG 8 1HH1 ARG 8 14.037 -0.516 -3.936
58 1HH2 ARG 8 1HH2 ARG 8 15.829 0.664 -6.658
59 2HH2 ARG 8 2HH2 ARG 8 15.924 -0.075 -5.095
60 H ASN 9 H ASN 9 6.967 2.673 -9.052
61 HA ASN 9 HA ASN 9 5.404 1.005 -8.528
62 1HB ASN 9 2HB ASN 9 7.091 -0.391 -9.693
63 2HB ASN 9 1HB ASN 9 7.926 -0.640 -8.162
64 1HD2 ASN 9 2HD2 ASN 9 5.047 -3.184 -9.074
65 2HD2 ASN 9 1HD2 ASN 9 5.954 -2.276 -10.183
66 H GLU 10 H GLU 10 4.525 1.766 -6.602
67 HA GLU 10 HA GLU 10 5.324 0.335 -4.173
68 1HB GLU 10 2HB GLU 10 5.157 2.950 -3.155
69 2HB GLU 10 1HB GLU 10 6.608 1.966 -3.277
70 1HG GLU 10 2HG GLU 10 6.949 4.169 -4.318
71 2HG GLU 10 1HG GLU 10 7.039 2.883 -5.523
72 H PHE 11 H PHE 11 3.901 1.737 -2.280
73 HA PHE 11 HA PHE 11 1.212 2.270 -3.323
74 1HB PHE 11 2HB PHE 11 1.033 -0.084 -3.133
75 2HB PHE 11 1HB PHE 11 1.941 -0.091 -1.641
76 HD1 PHE 11 HD2 PHE 11 0.915 0.591 0.485
77 HD2 PHE 11 HD1 PHE 11 -1.352 0.486 -3.163
78 HE1 PHE 11 HE2 PHE 11 -1.187 0.716 1.791
79 HE2 PHE 11 HE1 PHE 11 -3.457 0.610 -1.854
80 HZ PHE 11 HZ PHE 11 -3.373 0.719 0.626
81 H GLN 12 H GLN 12 0.488 4.012 -2.168
82 HA GLN 12 HA GLN 12 1.911 5.001 0.130
83 1HB GLN 12 2HB GLN 12 0.312 6.231 -1.584
84 2HB GLN 12 1HB GLN 12 -0.934 5.791 -0.415
85 1HG GLN 12 2HG GLN 12 0.165 6.987 1.347
86 2HG GLN 12 1HG GLN 12 1.630 7.186 0.385
87 1HE2 GLN 12 2HE2 GLN 12 0.491 10.274 -0.838
88 2HE2 GLN 12 1HE2 GLN 12 1.790 9.321 -0.304
89 H CYS 13 H CYS 13 1.603 4.542 2.264
90 HA CYS 13 HA CYS 13 -0.259 2.395 3.000
91 1HB CYS 13 2HB CYS 13 2.177 3.292 3.989
92 2HB CYS 13 1HB CYS 13 1.049 3.872 5.182
93 H GLN 14 H GLN 14 -0.939 5.523 2.426
94 HA GLN 14 HA GLN 14 -2.747 6.857 3.041
95 1HB GLN 14 2HB GLN 14 -3.341 4.952 5.325
96 2HB GLN 14 1HB GLN 14 -4.423 6.121 4.575
97 1HG GLN 14 2HG GLN 14 -4.278 4.851 2.437
98 2HG GLN 14 1HG GLN 14 -3.287 3.642 3.250
99 1HE2 GLN 14 2HE2 GLN 14 -7.157 3.966 4.616
100 2HE2 GLN 14 1HE2 GLN 14 -6.296 5.379 4.239
101 H ASP 15 H ASP 15 -0.159 5.903 5.167
102 HA ASP 15 HA ASP 15 -0.724 8.081 7.014
103 1HB ASP 15 2HB ASP 15 0.981 7.197 8.368
104 2HB ASP 15 1HB ASP 15 0.202 5.777 7.718
105 H GLY 16 H GLY 16 1.693 7.020 4.685
106 1HA GLY 16 2HA GLY 16 2.145 9.221 3.209
107 2HA GLY 16 1HA GLY 16 2.939 9.679 4.706
108 H LYS 17 H LYS 17 3.493 6.469 4.728
109 HA LYS 17 HA LYS 17 6.088 6.850 3.423
110 1HB LYS 17 2HB LYS 17 5.547 5.770 5.818
111 2HB LYS 17 1HB LYS 17 5.465 4.313 4.827
112 1HG LYS 17 2HG LYS 17 7.699 4.462 4.183
113 2HG LYS 17 1HG LYS 17 7.769 6.201 4.463
114 1HD LYS 17 2HD LYS 17 7.261 5.425 6.974
115 2HD LYS 17 1HD LYS 17 8.054 3.956 6.405
116 1HE LYS 17 2HE LYS 17 9.754 5.813 5.404
117 2HE LYS 17 1HE LYS 17 9.184 6.666 6.838
118 1HZ LYS 17 2HZ LYS 17 9.646 4.466 8.027
119 2HZ LYS 17 1HZ LYS 17 10.587 4.079 6.666
120 3HZ LYS 17 3HZ LYS 17 10.974 5.438 7.603
121 H CYS 18 H CYS 18 6.368 6.118 1.406
122 HA CYS 18 HA CYS 18 4.408 4.444 0.074
123 1HB CYS 18 2HB CYS 18 7.174 4.818 -0.964
124 2HB CYS 18 1HB CYS 18 5.686 4.673 -1.859
125 H ILE 19 H ILE 19 4.722 2.254 -0.564
126 HA ILE 19 HA ILE 19 7.025 0.861 0.699
127 HB ILE 19 HB ILE 19 5.491 -0.840 1.649
128 1HG1 ILE 19 2HG1 ILE 19 3.058 0.771 1.468
129 2HG1 ILE 19 1HG1 ILE 19 3.632 0.336 -0.140
130 1HG2 ILE 19 2HG2 ILE 19 6.231 1.161 2.948
131 2HG2 ILE 19 1HG2 ILE 19 4.789 2.019 2.412
132 3HG2 ILE 19 3HG2 ILE 19 4.639 0.608 3.449
133 1HD1 ILE 19 2HD1 ILE 19 3.817 -1.925 1.685
134 2HD1 ILE 19 1HD1 ILE 19 2.171 -1.297 1.604
135 3HD1 ILE 19 3HD1 ILE 19 2.994 -1.808 0.131
136 H SER 20 H SER 20 6.756 -1.626 0.000
137 HA SER 20 HA SER 20 6.761 -1.530 -2.935
138 1HB SER 20 2HB SER 20 6.969 -4.102 -1.399
139 2HB SER 20 1HB SER 20 7.841 -3.589 -2.836
140 HG SER 20 HG SER 20 9.346 -3.092 -1.464
141 H TYR 21 H TYR 21 5.189 -2.370 -4.286
142 HA TYR 21 HA TYR 21 2.533 -2.658 -3.361
143 1HB TYR 21 2HB TYR 21 3.446 -2.109 -5.714
144 2HB TYR 21 1HB TYR 21 3.490 -3.853 -5.903
145 HD1 TYR 21 HD2 TYR 21 1.397 -5.205 -5.707
146 HD2 TYR 21 HD1 TYR 21 1.360 -0.910 -5.671
147 HE1 TYR 21 HE2 TYR 21 -1.037 -5.223 -6.180
148 HE2 TYR 21 HE1 TYR 21 -1.074 -0.927 -6.143
149 HH TYR 21 HH TYR 21 -3.009 -3.515 -5.718
150 H LYS 22 H LYS 22 5.120 -4.941 -3.411
151 HA LYS 22 HA LYS 22 3.519 -7.338 -3.621
152 1HB LYS 22 2HB LYS 22 6.138 -7.206 -2.201
153 2HB LYS 22 1HB LYS 22 5.478 -8.531 -3.136
154 1HG LYS 22 2HG LYS 22 6.769 -7.776 -4.824
155 2HG LYS 22 1HG LYS 22 5.603 -6.469 -4.985
156 1HD LYS 22 2HD LYS 22 6.999 -4.932 -4.026
157 2HD LYS 22 1HD LYS 22 7.676 -6.102 -2.891
158 1HE LYS 22 2HE LYS 22 9.481 -5.682 -4.335
159 2HE LYS 22 1HE LYS 22 8.778 -7.152 -5.011
160 1HZ LYS 22 2HZ LYS 22 7.372 -5.477 -6.374
161 2HZ LYS 22 1HZ LYS 22 8.630 -4.394 -6.012
162 3HZ LYS 22 3HZ LYS 22 8.964 -5.825 -6.857
163 H TRP 23 H TRP 23 4.587 -5.264 -1.015
164 HA TRP 23 HA TRP 23 3.760 -7.008 1.112
165 1HB TRP 23 2HB TRP 23 4.192 -4.026 1.277
166 2HB TRP 23 1HB TRP 23 4.363 -5.201 2.568
167 HD1 TRP 23 HD1 TRP 23 6.625 -3.155 1.260
168 HE1 TRP 23 HE1 TRP 23 8.884 -4.191 0.578
169 HE3 TRP 23 HE3 TRP 23 5.311 -8.097 0.955
170 HZ2 TRP 23 HZ2 TRP 23 9.991 -6.749 -0.006
171 HZ3 TRP 23 HZ3 TRP 23 6.991 -9.799 0.336
172 HH2 TRP 23 HH2 TRP 23 9.330 -9.135 -0.145
173 H VAL 24 H VAL 24 2.324 -4.199 -0.516
174 HA VAL 24 HA VAL 24 0.062 -4.021 1.241
175 HB VAL 24 HB VAL 24 0.782 -2.151 -0.220
176 1HG1 VAL 24 1HG1 VAL 24 1.330 -3.626 -2.160
177 2HG1 VAL 24 3HG1 VAL 24 -0.396 -3.760 -2.478
178 3HG1 VAL 24 2HG1 VAL 24 0.402 -2.188 -2.578
179 1HG2 VAL 24 1HG2 VAL 24 -2.008 -3.232 -0.372
180 2HG2 VAL 24 3HG2 VAL 24 -1.411 -1.789 0.443
181 3HG2 VAL 24 2HG2 VAL 24 -1.591 -1.801 -1.309
182 H CYS 25 H CYS 25 -1.808 -5.163 1.284
183 HA CYS 25 HA CYS 25 -3.396 -6.789 0.774
184 1HB CYS 25 2HB CYS 25 -2.567 -5.898 -1.991
185 2HB CYS 25 1HB CYS 25 -3.776 -7.159 -1.750
186 H ASP 26 H ASP 26 -1.716 -8.206 1.818
187 HA ASP 26 HA ASP 26 -0.928 -10.359 -0.088
188 1HB ASP 26 2HB ASP 26 0.963 -8.705 0.861
189 2HB ASP 26 1HB ASP 26 0.872 -9.816 2.229
190 H GLY 27 H GLY 27 -3.173 -10.005 1.835
191 1HA GLY 27 2HA GLY 27 -4.357 -11.425 3.268
192 2HA GLY 27 1HA GLY 27 -3.065 -12.600 3.058
193 H SER 28 H SER 28 -2.248 -9.394 4.122
194 HA SER 28 HA SER 28 -2.503 -9.671 6.932
195 1HB SER 28 2HB SER 28 -0.659 -11.486 6.071
196 2HB SER 28 1HB SER 28 0.375 -10.089 6.350
197 HG SER 28 HG SER 28 -0.113 -10.130 8.444
198 H ALA 29 H ALA 29 -1.330 -7.918 8.060
199 HA ALA 29 HA ALA 29 -1.067 -5.558 6.374
200 1HB ALA 29 2HB ALA 29 -0.452 -5.950 9.322
201 2HB ALA 29 1HB ALA 29 -0.554 -4.394 8.497
202 3HB ALA 29 3HB ALA 29 -1.991 -5.404 8.656
203 H GLU 30 H GLU 30 0.725 -6.168 4.992
204 HA GLU 30 HA GLU 30 3.356 -6.451 6.323
205 1HB GLU 30 2HB GLU 30 2.611 -6.776 3.408
206 2HB GLU 30 1HB GLU 30 4.141 -7.209 4.153
207 1HG GLU 30 2HG GLU 30 2.821 -8.752 5.692
208 2HG GLU 30 1HG GLU 30 1.438 -8.469 4.633
209 H CYS 31 H CYS 31 1.454 -3.972 5.055
210 HA CYS 31 HA CYS 31 3.285 -2.417 3.532
211 1HB CYS 31 2HB CYS 31 0.858 -1.865 3.759
212 2HB CYS 31 1HB CYS 31 1.142 -1.403 5.431
213 H GLN 32 H GLN 32 4.955 -1.121 4.127
214 HA GLN 32 HA GLN 32 6.499 -1.492 6.375
215 1HB GLN 32 2HB GLN 32 7.142 -0.197 4.346
216 2HB GLN 32 1HB GLN 32 6.168 1.150 4.935
217 1HG GLN 32 2HG GLN 32 7.603 1.590 6.721
218 2HG GLN 32 1HG GLN 32 8.250 -0.051 6.735
219 1HE2 GLN 32 2HE2 GLN 32 10.258 0.694 3.698
220 2HE2 GLN 32 1HE2 GLN 32 9.100 -0.464 4.145
221 H ASP 33 H ASP 33 3.567 0.460 6.234
222 HA ASP 33 HA ASP 33 4.097 1.391 9.021
223 1HB ASP 33 2HB ASP 33 3.412 2.943 6.938
224 2HB ASP 33 1HB ASP 33 1.797 2.476 7.476
225 H GLY 34 H GLY 34 1.719 -0.281 6.979
226 1HA GLY 34 2HA GLY 34 0.489 -2.160 7.965
227 2HA GLY 34 1HA GLY 34 0.417 -1.231 9.451
228 H SER 35 H SER 35 -0.460 -0.544 6.039
229 HA SER 35 HA SER 35 -3.267 -0.141 6.828
230 1HB SER 35 2HB SER 35 -1.396 2.066 6.124
231 2HB SER 35 1HB SER 35 -3.015 2.140 5.433
232 HG SER 35 HG SER 35 -2.214 2.106 8.138
233 H ASP 36 H ASP 36 -2.306 -2.125 5.252
234 HA ASP 36 HA ASP 36 -3.013 -1.333 2.448
235 1HB ASP 36 2HB ASP 36 -1.654 -3.309 1.815
236 2HB ASP 36 1HB ASP 36 -0.706 -2.042 2.564
237 H GLU 37 H GLU 37 -3.213 -3.829 4.957
238 HA GLU 37 HA GLU 37 -4.837 -5.686 3.537
239 1HB GLU 37 2HB GLU 37 -3.555 -5.831 5.857
240 2HB GLU 37 1HB GLU 37 -5.134 -5.377 6.497
241 1HG GLU 37 2HG GLU 37 -4.957 -7.816 6.412
242 2HG GLU 37 1HG GLU 37 -6.158 -7.269 5.245
243 H SER 38 H SER 38 -5.680 -2.580 4.760
244 HA SER 38 HA SER 38 -8.320 -2.905 5.629
245 1HB SER 38 2HB SER 38 -8.640 -0.573 4.545
246 2HB SER 38 1HB SER 38 -7.429 -0.733 5.813
247 HG SER 38 HG SER 38 -7.054 0.135 3.386
248 H GLN 39 H GLN 39 -10.371 -2.610 4.424
249 HA GLN 39 HA GLN 39 -10.281 -4.076 1.873
250 1HB GLN 39 2HB GLN 39 -12.420 -3.258 3.806
251 2HB GLN 39 1HB GLN 39 -12.888 -3.601 2.140
252 1HG GLN 39 2HG GLN 39 -11.356 -5.741 2.514
253 2HG GLN 39 1HG GLN 39 -11.751 -5.442 4.207
254 1HE2 GLN 39 2HE2 GLN 39 -15.049 -6.642 3.899
255 2HE2 GLN 39 1HE2 GLN 39 -13.823 -6.071 4.924
256 H GLU 40 H GLU 40 -10.597 -0.771 2.930
257 HA GLU 40 HA GLU 40 -11.978 0.331 0.712
258 1HB GLU 40 2HB GLU 40 -10.886 2.455 1.349
259 2HB GLU 40 1HB GLU 40 -11.501 1.602 2.754
260 1HG GLU 40 2HG GLU 40 -9.180 0.630 3.053
261 2HG GLU 40 1HG GLU 40 -8.637 1.781 1.832
262 H THR 41 H THR 41 -8.584 -0.296 1.289
263 HA THR 41 HA THR 41 -7.841 0.565 -1.397
264 HB THR 41 HB THR 41 -6.537 0.698 0.997
265 HG1 THR 41 HG1 THR 41 -5.503 0.591 -1.629
266 1HG2 THR 41 2HG2 THR 41 -6.142 -1.815 0.925
267 2HG2 THR 41 1HG2 THR 41 -5.098 -1.527 -0.468
268 3HG2 THR 41 3HG2 THR 41 -4.692 -0.826 1.099
269 H CYS 42 H CYS 42 -8.175 -2.398 0.466
270 HA CYS 42 HA CYS 42 -7.383 -4.032 -1.874
271 1HB CYS 42 2HB CYS 42 -6.833 -4.223 0.816
272 2HB CYS 42 1HB CYS 42 -8.169 -5.340 0.646
273 H LEU 43 H LEU 43 -9.948 -2.569 -1.825
274 HA LEU 43 HA LEU 43 -12.137 -4.154 -1.045
275 1HB LEU 43 2HB LEU 43 -13.440 -2.862 -2.715
276 2HB LEU 43 1HB LEU 43 -12.402 -1.824 -1.738
277 HG LEU 43 HG LEU 43 -10.676 -2.301 -3.712
278 1HD1 LEU 43 2HD1 LEU 43 -13.338 -3.118 -4.746
279 2HD1 LEU 43 1HD1 LEU 43 -12.385 -2.080 -5.807
280 3HD1 LEU 43 3HD1 LEU 43 -11.728 -3.623 -5.259
281 1HD2 LEU 43 2HD2 LEU 43 -11.949 -0.136 -2.882
282 2HD2 LEU 43 1HD2 LEU 43 -11.144 -0.139 -4.451
283 3HD2 LEU 43 3HD2 LEU 43 -12.889 -0.376 -4.355
284 H SER 44 H SER 44 -13.498 -5.593 -2.264
285 HA SER 44 HA SER 44 -12.334 -6.699 -4.768
286 1HB SER 44 2HB SER 44 -11.861 -7.976 -2.428
287 2HB SER 44 1HB SER 44 -13.420 -8.682 -2.840
288 HG SER 44 HG SER 44 -11.632 -9.828 -3.741
289 H VAL 45 H VAL 45 -15.046 -6.974 -2.474
290 HA VAL 45 HA VAL 45 -16.885 -7.007 -4.830
291 HB VAL 45 HB VAL 45 -16.765 -9.245 -3.790
292 1HG1 VAL 45 1HG1 VAL 45 -16.120 -8.438 -1.515
293 2HG1 VAL 45 3HG1 VAL 45 -17.774 -7.868 -1.284
294 3HG1 VAL 45 2HG1 VAL 45 -17.455 -9.591 -1.479
295 1HG2 VAL 45 2HG2 VAL 45 -18.930 -8.338 -4.715
296 2HG2 VAL 45 1HG2 VAL 45 -19.143 -9.576 -3.478
297 3HG2 VAL 45 3HG2 VAL 45 -19.374 -7.876 -3.072
298 H THR 46 HN THR 46 -18.482 -5.479 -4.746
299 HA THR 46 HA THR 46 -18.820 -3.994 -2.171
300 HB THR 46 HB THR 46 -17.818 -2.575 -3.880
301 HG1 THR 46 HG1 THR 46 -19.109 -1.063 -3.266
302 1HG2 THR 46 1HG2 THR 46 -19.890 -3.880 -5.563
303 2HG2 THR 46 3HG2 THR 46 -19.564 -2.179 -5.899
304 3HG2 THR 46 2HG2 THR 46 -18.258 -3.361 -5.984
No H/Q in entry = 304
Start of MODEL 8
Raw file had 310 H/Q atoms
Start of MODEL 8
1 1H ALA 1 2H ALA 1 20.512 3.448 -12.351
2 2H ALA 1 1H ALA 1 21.325 2.587 -11.133
3 3H ALA 1 3H ALA 1 20.966 1.830 -12.606
4 HA ALA 1 HA ALA 1 18.645 1.844 -12.163
5 1HB ALA 1 2HB ALA 1 20.437 0.307 -10.820
6 2HB ALA 1 1HB ALA 1 19.611 1.074 -9.464
7 3HB ALA 1 3HB ALA 1 18.691 0.137 -10.641
8 H VAL 2 H VAL 2 17.030 2.166 -10.238
9 HA VAL 2 HA VAL 2 17.503 4.903 -9.130
10 HB VAL 2 HB VAL 2 15.660 4.802 -10.758
11 1HG1 VAL 2 3HG1 VAL 2 14.914 2.441 -9.113
12 2HG1 VAL 2 2HG1 VAL 2 13.586 3.444 -9.693
13 3HG1 VAL 2 1HG1 VAL 2 14.712 2.722 -10.841
14 1HG2 VAL 2 1HG2 VAL 2 15.513 6.272 -8.705
15 2HG2 VAL 2 3HG2 VAL 2 13.952 5.840 -9.403
16 3HG2 VAL 2 2HG2 VAL 2 14.528 5.017 -7.953
17 H GLY 3 H GLY 3 16.880 5.285 -6.941
18 1HA GLY 3 2HA GLY 3 15.692 3.254 -5.269
19 2HA GLY 3 1HA GLY 3 17.443 3.293 -5.054
20 H ASP 4 H ASP 4 15.415 6.095 -5.785
21 HA ASP 4 HA ASP 4 16.055 7.160 -3.064
22 1HB ASP 4 2HB ASP 4 16.103 9.427 -4.152
23 2HB ASP 4 1HB ASP 4 17.394 8.355 -4.696
24 H ARG 5 H ARG 5 13.769 7.216 -5.776
25 HA ARG 5 HA ARG 5 11.729 8.505 -4.057
26 1HB ARG 5 2HB ARG 5 12.031 7.982 -6.990
27 2HB ARG 5 1HB ARG 5 10.408 8.176 -6.334
28 1HG ARG 5 2HG ARG 5 10.777 10.382 -5.697
29 2HG ARG 5 1HG ARG 5 12.523 10.161 -5.575
30 1HD ARG 5 2HD ARG 5 12.860 10.583 -7.789
31 2HD ARG 5 1HD ARG 5 11.391 9.739 -8.278
32 HE ARG 5 HE ARG 5 10.255 11.902 -7.245
33 1HH1 ARG 5 2HH1 ARG 5 13.325 12.788 -7.403
34 2HH1 ARG 5 1HH1 ARG 5 13.206 13.886 -8.738
35 1HH2 ARG 5 1HH2 ARG 5 10.033 12.834 -9.660
36 2HH2 ARG 5 2HH2 ARG 5 11.341 13.912 -10.016
37 H CYS 6 H CYS 6 9.395 7.432 -4.737
38 HA CYS 6 HA CYS 6 9.371 4.864 -3.430
39 1HB CYS 6 2HB CYS 6 7.194 6.244 -5.032
40 2HB CYS 6 1HB CYS 6 6.966 4.917 -3.898
41 H GLU 7 H GLU 7 7.793 3.156 -4.736
42 HA GLU 7 HA GLU 7 9.406 2.430 -7.110
43 1HB GLU 7 2HB GLU 7 7.398 0.919 -5.427
44 2HB GLU 7 1HB GLU 7 8.042 0.270 -6.932
45 1HG GLU 7 2HG GLU 7 10.325 1.129 -5.611
46 2HG GLU 7 1HG GLU 7 9.323 0.505 -4.300
47 H ARG 8 H ARG 8 7.706 1.059 -8.706
48 HA ARG 8 HA ARG 8 6.274 3.150 -10.066
49 1HB ARG 8 2HB ARG 8 6.234 0.149 -10.474
50 2HB ARG 8 1HB ARG 8 5.546 1.328 -11.591
51 1HG ARG 8 2HG ARG 8 7.575 1.873 -12.437
52 2HG ARG 8 1HG ARG 8 8.317 1.952 -10.839
53 1HD ARG 8 2HD ARG 8 8.434 -0.528 -10.794
54 2HD ARG 8 1HD ARG 8 7.757 -0.575 -12.422
55 HE ARG 8 HE ARG 8 9.888 0.964 -12.898
56 1HH1 ARG 8 1HH2 ARG 8 10.612 -0.237 -10.043
57 2HH1 ARG 8 2HH2 ARG 8 11.795 -1.402 -10.538
58 1HH2 ARG 8 2HH1 ARG 8 10.966 -1.208 -13.901
59 2HH2 ARG 8 1HH1 ARG 8 11.996 -1.951 -12.722
60 H ASN 9 H ASN 9 4.794 0.042 -9.143
61 HA ASN 9 HA ASN 9 2.273 1.515 -8.619
62 1HB ASN 9 2HB ASN 9 2.988 -1.206 -9.521
63 2HB ASN 9 1HB ASN 9 1.625 -1.140 -8.405
64 1HD2 ASN 9 2HD2 ASN 9 1.150 0.154 -12.208
65 2HD2 ASN 9 1HD2 ASN 9 2.611 -0.525 -11.674
66 H GLU 10 H GLU 10 4.300 1.749 -6.626
67 HA GLU 10 HA GLU 10 4.012 -0.102 -4.473
68 1HB GLU 10 2HB GLU 10 5.174 1.472 -3.148
69 2HB GLU 10 1HB GLU 10 5.758 1.763 -4.774
70 1HG GLU 10 2HG GLU 10 3.653 3.388 -3.319
71 2HG GLU 10 1HG GLU 10 5.310 3.871 -3.654
72 H PHE 11 H PHE 11 3.164 1.512 -2.257
73 HA PHE 11 HA PHE 11 0.366 2.235 -2.852
74 1HB PHE 11 2HB PHE 11 0.083 -0.020 -2.313
75 2HB PHE 11 1HB PHE 11 1.355 0.027 -1.126
76 HD1 PHE 11 HD2 PHE 11 0.969 1.194 1.079
77 HD2 PHE 11 HD1 PHE 11 -2.197 0.436 -1.723
78 HE1 PHE 11 HE2 PHE 11 -0.702 1.510 2.882
79 HE2 PHE 11 HE1 PHE 11 -3.869 0.747 0.082
80 HZ PHE 11 HZ PHE 11 -3.119 1.273 2.388
81 H GLN 12 H GLN 12 -0.402 3.850 -1.439
82 HA GLN 12 HA GLN 12 1.657 5.152 0.215
83 1HB GLN 12 2HB GLN 12 -0.208 6.223 -1.378
84 2HB GLN 12 1HB GLN 12 -1.142 6.179 0.118
85 1HG GLN 12 2HG GLN 12 0.524 7.478 1.284
86 2HG GLN 12 1HG GLN 12 1.642 7.359 -0.075
87 1HE2 GLN 12 2HE2 GLN 12 0.389 10.465 -1.195
88 2HE2 GLN 12 1HE2 GLN 12 1.743 9.573 -0.690
89 H CYS 13 H CYS 13 1.801 4.896 2.372
90 HA CYS 13 HA CYS 13 0.010 3.141 3.815
91 1HB CYS 13 2HB CYS 13 2.575 4.310 4.235
92 2HB CYS 13 1HB CYS 13 1.573 4.820 5.578
93 H GLN 14 H GLN 14 -0.657 4.155 6.140
94 HA GLN 14 HA GLN 14 -2.766 6.005 5.576
95 1HB GLN 14 2HB GLN 14 -2.770 4.251 7.406
96 2HB GLN 14 1HB GLN 14 -1.666 5.294 8.302
97 1HG GLN 14 2HG GLN 14 -3.579 7.100 7.663
98 2HG GLN 14 1HG GLN 14 -4.564 5.639 7.745
99 1HE2 GLN 14 2HE2 GLN 14 -4.725 6.397 11.227
100 2HE2 GLN 14 1HE2 GLN 14 -5.575 6.447 9.758
101 H ASP 15 H ASP 15 0.583 6.404 6.455
102 HA ASP 15 HA ASP 15 0.160 9.100 7.470
103 1HB ASP 15 2HB ASP 15 2.510 9.107 7.928
104 2HB ASP 15 1HB ASP 15 1.882 7.552 8.416
105 H GLY 16 H GLY 16 1.689 7.560 4.708
106 1HA GLY 16 2HA GLY 16 0.961 8.971 2.584
107 2HA GLY 16 1HA GLY 16 1.976 10.161 3.379
108 H LYS 17 H LYS 17 3.545 7.455 4.223
109 HA LYS 17 HA LYS 17 5.620 7.821 2.299
110 1HB LYS 17 2HB LYS 17 5.477 6.692 4.793
111 2HB LYS 17 1HB LYS 17 5.616 5.264 3.768
112 1HG LYS 17 2HG LYS 17 7.859 5.787 4.090
113 2HG LYS 17 1HG LYS 17 7.527 6.672 2.602
114 1HD LYS 17 2HD LYS 17 6.836 8.600 4.272
115 2HD LYS 17 1HD LYS 17 7.877 7.717 5.389
116 1HE LYS 17 2HE LYS 17 9.787 8.052 4.079
117 2HE LYS 17 1HE LYS 17 8.851 8.338 2.613
118 1HZ LYS 17 2HZ LYS 17 7.967 10.358 3.938
119 2HZ LYS 17 1HZ LYS 17 9.378 10.157 4.862
120 3HZ LYS 17 3HZ LYS 17 9.492 10.451 3.195
121 H CYS 18 H CYS 18 6.494 5.472 1.385
122 HA CYS 18 HA CYS 18 4.204 4.257 -0.102
123 1HB CYS 18 2HB CYS 18 6.163 3.911 -1.882
124 2HB CYS 18 1HB CYS 18 5.161 5.346 -1.888
125 H ILE 19 H ILE 19 4.406 2.076 -0.583
126 HA ILE 19 HA ILE 19 6.770 0.632 0.490
127 HB ILE 19 HB ILE 19 5.352 -0.991 1.674
128 1HG1 ILE 19 2HG1 ILE 19 2.867 -0.033 1.959
129 2HG1 ILE 19 1HG1 ILE 19 3.191 0.593 0.345
130 1HG2 ILE 19 3HG2 ILE 19 4.746 1.908 2.353
131 2HG2 ILE 19 2HG2 ILE 19 4.488 0.552 3.444
132 3HG2 ILE 19 1HG2 ILE 19 6.120 0.965 2.925
133 1HD1 ILE 19 3HD1 ILE 19 4.000 -2.212 0.799
134 2HD1 ILE 19 2HD1 ILE 19 2.264 -1.916 0.837
135 3HD1 ILE 19 1HD1 ILE 19 3.205 -1.473 -0.587
136 H SER 20 H SER 20 7.267 -1.154 -0.791
137 HA SER 20 HA SER 20 6.436 -1.161 -3.477
138 1HB SER 20 2HB SER 20 8.189 -2.724 -1.952
139 2HB SER 20 1HB SER 20 7.048 -3.888 -2.598
140 HG SER 20 HG SER 20 9.032 -2.594 -3.841
141 H TYR 21 H TYR 21 4.953 -2.373 -4.708
142 HA TYR 21 HA TYR 21 2.437 -2.837 -3.519
143 1HB TYR 21 2HB TYR 21 3.185 -2.348 -5.994
144 2HB TYR 21 1HB TYR 21 3.131 -4.099 -6.080
145 HD1 TYR 21 HD1 TYR 21 1.067 -1.437 -4.430
146 HD2 TYR 21 HD2 TYR 21 1.120 -4.932 -6.927
147 HE1 TYR 21 HE1 TYR 21 -1.407 -1.353 -4.602
148 HE2 TYR 21 HE2 TYR 21 -1.353 -4.848 -7.101
149 HH TYR 21 HH TYR 21 -3.258 -3.912 -5.725
150 H LYS 22 H LYS 22 5.202 -4.832 -3.618
151 HA LYS 22 HA LYS 22 3.961 -7.412 -3.729
152 1HB LYS 22 2HB LYS 22 6.324 -7.051 -1.995
153 2HB LYS 22 1HB LYS 22 5.992 -8.329 -3.135
154 1HG LYS 22 2HG LYS 22 6.297 -6.461 -4.900
155 2HG LYS 22 1HG LYS 22 7.093 -5.585 -3.618
156 1HD LYS 22 2HD LYS 22 8.856 -6.747 -4.692
157 2HD LYS 22 1HD LYS 22 8.492 -7.720 -3.267
158 1HE LYS 22 2HE LYS 22 6.937 -9.092 -4.732
159 2HE LYS 22 1HE LYS 22 7.610 -8.230 -6.117
160 1HZ LYS 22 2HZ LYS 22 9.315 -9.633 -4.145
161 2HZ LYS 22 1HZ LYS 22 8.688 -10.415 -5.518
162 3HZ LYS 22 3HZ LYS 22 9.735 -9.091 -5.700
163 H TRP 23 H TRP 23 4.454 -5.079 -1.183
164 HA TRP 23 HA TRP 23 3.353 -6.881 0.841
165 1HB TRP 23 2HB TRP 23 4.328 -4.077 1.327
166 2HB TRP 23 1HB TRP 23 4.298 -5.426 2.440
167 HD1 TRP 23 HD1 TRP 23 6.763 -3.513 0.887
168 HE1 TRP 23 HE1 TRP 23 8.878 -4.845 0.266
169 HE3 TRP 23 HE3 TRP 23 4.929 -8.271 1.179
170 HZ2 TRP 23 HZ2 TRP 23 9.692 -7.569 -0.058
171 HZ3 TRP 23 HZ3 TRP 23 6.394 -10.213 0.708
172 HH2 TRP 23 HH2 TRP 23 8.771 -9.870 0.091
173 H VAL 24 H VAL 24 1.694 -5.535 -1.332
174 HA VAL 24 HA VAL 24 -0.068 -3.878 0.432
175 HB VAL 24 HB VAL 24 0.125 -3.935 -2.598
176 1HG1 VAL 24 2HG1 VAL 24 -2.031 -3.138 -1.043
177 2HG1 VAL 24 1HG1 VAL 24 -1.152 -1.633 -1.299
178 3HG1 VAL 24 3HG1 VAL 24 -1.692 -2.584 -2.682
179 1HG2 VAL 24 1HG2 VAL 24 2.075 -2.959 -1.358
180 2HG2 VAL 24 3HG2 VAL 24 1.213 -1.788 -2.358
181 3HG2 VAL 24 2HG2 VAL 24 0.956 -1.816 -0.615
182 H CYS 25 H CYS 25 -1.670 -5.145 1.237
183 HA CYS 25 HA CYS 25 -3.452 -6.664 1.327
184 1HB CYS 25 2HB CYS 25 -4.461 -5.232 -0.357
185 2HB CYS 25 1HB CYS 25 -3.495 -5.963 -1.632
186 H ASP 26 H ASP 26 -1.543 -8.180 1.770
187 HA ASP 26 HA ASP 26 -1.493 -10.326 -0.313
188 1HB ASP 26 2HB ASP 26 0.686 -8.929 0.169
189 2HB ASP 26 1HB ASP 26 0.790 -9.955 1.600
190 H GLY 27 H GLY 27 -2.459 -9.552 2.820
191 1HA GLY 27 2HA GLY 27 -3.523 -11.963 3.543
192 2HA GLY 27 1HA GLY 27 -1.856 -12.062 4.100
193 H SER 28 H SER 28 -1.692 -9.166 4.614
194 HA SER 28 HA SER 28 -3.716 -8.513 6.608
195 1HB SER 28 2HB SER 28 -1.869 -10.231 7.559
196 2HB SER 28 1HB SER 28 -0.996 -8.722 7.804
197 HG SER 28 HG SER 28 -2.417 -9.409 9.561
198 H ALA 29 H ALA 29 -2.245 -6.679 8.090
199 HA ALA 29 HA ALA 29 -1.923 -4.521 6.175
200 1HB ALA 29 1HB ALA 29 -2.606 -4.528 8.756
201 2HB ALA 29 3HB ALA 29 -0.872 -4.295 8.966
202 3HB ALA 29 2HB ALA 29 -1.810 -3.137 8.025
203 H GLU 30 H GLU 30 -0.190 -5.041 4.795
204 HA GLU 30 HA GLU 30 2.475 -5.408 6.047
205 1HB GLU 30 2HB GLU 30 1.595 -6.127 3.241
206 2HB GLU 30 1HB GLU 30 3.099 -6.571 4.033
207 1HG GLU 30 2HG GLU 30 1.893 -7.887 5.684
208 2HG GLU 30 1HG GLU 30 0.362 -7.370 4.998
209 H CYS 31 H CYS 31 1.356 -2.861 5.799
210 HA CYS 31 HA CYS 31 2.507 -1.575 3.397
211 1HB CYS 31 2HB CYS 31 0.367 -0.766 4.446
212 2HB CYS 31 1HB CYS 31 1.291 -0.299 5.870
213 H GLN 32 H GLN 32 4.589 -2.838 4.634
214 HA GLN 32 HA GLN 32 6.646 -2.570 5.702
215 1HB GLN 32 2HB GLN 32 6.892 -1.007 3.794
216 2HB GLN 32 1HB GLN 32 6.208 0.290 4.772
217 1HG GLN 32 2HG GLN 32 8.151 0.618 5.907
218 2HG GLN 32 1HG GLN 32 8.437 -1.112 6.090
219 1HE2 GLN 32 2HE2 GLN 32 10.910 0.549 3.669
220 2HE2 GLN 32 1HE2 GLN 32 10.340 1.074 5.179
221 H ASP 33 H ASP 33 4.173 -2.205 7.275
222 HA ASP 33 HA ASP 33 5.255 -1.457 9.790
223 1HB ASP 33 2HB ASP 33 5.008 0.836 8.538
224 2HB ASP 33 1HB ASP 33 3.284 0.614 8.832
225 H GLY 34 H GLY 34 2.141 -0.930 8.099
226 1HA GLY 34 2HA GLY 34 0.689 -3.125 8.687
227 2HA GLY 34 1HA GLY 34 0.704 -2.291 10.235
228 H SER 35 H SER 35 0.115 -1.493 6.785
229 HA SER 35 HA SER 35 -2.440 -0.240 7.549
230 1HB SER 35 2HB SER 35 -0.023 1.300 7.061
231 2HB SER 35 1HB SER 35 -1.303 1.746 5.937
232 HG SER 35 HG SER 35 -1.074 2.226 8.596
233 H ASP 36 H ASP 36 -1.207 -2.389 5.623
234 HA ASP 36 HA ASP 36 -2.485 -1.349 3.113
235 1HB ASP 36 2HB ASP 36 -0.102 -3.009 3.636
236 2HB ASP 36 1HB ASP 36 -1.149 -3.649 2.379
237 H GLU 37 H GLU 37 -3.746 -2.695 5.563
238 HA GLU 37 HA GLU 37 -4.779 -5.180 4.293
239 1HB GLU 37 2HB GLU 37 -4.001 -4.673 6.882
240 2HB GLU 37 1HB GLU 37 -5.747 -4.457 6.991
241 1HG GLU 37 2HG GLU 37 -4.741 -6.836 5.492
242 2HG GLU 37 1HG GLU 37 -4.623 -6.864 7.253
243 H SER 38 H SER 38 -5.589 -1.961 4.253
244 HA SER 38 HA SER 38 -8.317 -1.837 4.922
245 1HB SER 38 2HB SER 38 -6.899 -0.405 2.662
246 2HB SER 38 1HB SER 38 -8.435 0.073 3.381
247 HG SER 38 HG SER 38 -5.872 0.435 4.272
248 H GLN 39 H GLN 39 -10.223 -2.084 3.621
249 HA GLN 39 HA GLN 39 -10.020 -4.260 1.653
250 1HB GLN 39 2HB GLN 39 -12.467 -2.661 2.491
251 2HB GLN 39 1HB GLN 39 -12.451 -4.225 1.675
252 1HG GLN 39 2HG GLN 39 -11.471 -5.302 3.603
253 2HG GLN 39 1HG GLN 39 -11.224 -3.751 4.404
254 1HE2 GLN 39 2HE2 GLN 39 -14.301 -4.494 6.036
255 2HE2 GLN 39 1HE2 GLN 39 -12.614 -4.418 6.216
256 H GLU 40 H GLU 40 -10.758 -0.754 1.596
257 HA GLU 40 HA GLU 40 -11.626 -0.570 -1.079
258 1HB GLU 40 2HB GLU 40 -10.325 1.265 0.859
259 2HB GLU 40 1HB GLU 40 -10.174 1.717 -0.838
260 1HG GLU 40 2HG GLU 40 -12.830 0.986 -0.668
261 2HG GLU 40 1HG GLU 40 -12.548 1.728 0.906
262 H THR 41 H THR 41 -8.461 -1.199 0.198
263 HA THR 41 HA THR 41 -7.256 -0.997 -2.484
264 HB THR 41 HB THR 41 -5.971 -1.183 0.255
265 HG1 THR 41 HG1 THR 41 -6.902 0.820 -0.176
266 1HG2 THR 41 2HG2 THR 41 -4.895 -1.643 -2.401
267 2HG2 THR 41 1HG2 THR 41 -4.111 -0.262 -1.636
268 3HG2 THR 41 3HG2 THR 41 -4.111 -1.832 -0.833
269 H CYS 42 H CYS 42 -8.323 -3.246 -0.086
270 HA CYS 42 HA CYS 42 -6.880 -5.453 -1.464
271 1HB CYS 42 2HB CYS 42 -6.452 -4.895 1.037
272 2HB CYS 42 1HB CYS 42 -8.044 -5.564 1.312
273 H LEU 43 H LEU 43 -9.663 -4.193 -1.950
274 HA LEU 43 HA LEU 43 -11.583 -6.111 -1.119
275 1HB LEU 43 2HB LEU 43 -11.497 -3.709 -2.843
276 2HB LEU 43 1HB LEU 43 -12.746 -4.881 -3.271
277 HG LEU 43 HG LEU 43 -12.307 -4.057 -0.429
278 1HD1 LEU 43 3HD1 LEU 43 -13.251 -2.360 -2.580
279 2HD1 LEU 43 2HD1 LEU 43 -14.555 -2.651 -1.430
280 3HD1 LEU 43 1HD1 LEU 43 -13.031 -1.964 -0.876
281 1HD2 LEU 43 2HD2 LEU 43 -13.721 -6.059 -1.105
282 2HD2 LEU 43 1HD2 LEU 43 -14.557 -4.851 -0.130
283 3HD2 LEU 43 3HD2 LEU 43 -14.826 -4.918 -1.871
284 H SER 44 H SER 44 -11.987 -8.089 -1.992
285 HA SER 44 HA SER 44 -10.771 -8.726 -4.642
286 1HB SER 44 2HB SER 44 -10.149 -10.098 -2.590
287 2HB SER 44 1HB SER 44 -11.811 -10.682 -2.576
288 HG SER 44 HG SER 44 -11.221 -12.028 -4.064
289 H VAL 45 H VAL 45 -12.845 -7.390 -5.297
290 HA VAL 45 HA VAL 45 -14.877 -9.385 -6.089
291 HB VAL 45 HB VAL 45 -15.742 -8.446 -3.972
292 1HG1 VAL 45 2HG1 VAL 45 -15.548 -5.785 -5.417
293 2HG1 VAL 45 1HG1 VAL 45 -16.293 -6.040 -3.840
294 3HG1 VAL 45 3HG1 VAL 45 -14.559 -6.287 -4.046
295 1HG2 VAL 45 2HG2 VAL 45 -17.260 -8.976 -5.952
296 2HG2 VAL 45 1HG2 VAL 45 -17.924 -7.849 -4.770
297 3HG2 VAL 45 3HG2 VAL 45 -17.273 -7.246 -6.294
298 H THR 46 HN THR 46 -15.771 -8.901 -8.094
299 HA THR 46 HA THR 46 -15.963 -7.859 -10.185
300 HB THR 46 HB THR 46 -15.435 -5.247 -8.759
301 HG1 THR 46 HG1 THR 46 -17.609 -5.263 -8.201
302 1HG2 THR 46 3HG2 THR 46 -16.555 -6.128 -11.342
303 2HG2 THR 46 2HG2 THR 46 -17.522 -4.913 -10.505
304 3HG2 THR 46 1HG2 THR 46 -15.834 -4.582 -10.895
No H/Q in entry = 304
Start of MODEL 9
Raw file had 310 H/Q atoms
Start of MODEL 9
1 1H ALA 1 1H ALA 1 16.555 12.333 9.924
2 2H ALA 1 3H ALA 1 16.747 10.716 10.398
3 3H ALA 1 2H ALA 1 17.993 11.835 10.679
4 HA ALA 1 HA ALA 1 18.382 12.085 8.331
5 1HB ALA 1 2HB ALA 1 19.313 10.102 9.747
6 2HB ALA 1 1HB ALA 1 18.177 9.121 8.821
7 3HB ALA 1 3HB ALA 1 19.448 10.018 7.991
8 H VAL 2 H VAL 2 17.897 11.187 6.140
9 HA VAL 2 HA VAL 2 15.034 10.348 5.914
10 HB VAL 2 HB VAL 2 15.355 12.697 5.212
11 1HG1 VAL 2 3HG1 VAL 2 17.299 11.510 3.206
12 2HG1 VAL 2 2HG1 VAL 2 16.750 13.186 3.223
13 3HG1 VAL 2 1HG1 VAL 2 17.720 12.562 4.558
14 1HG2 VAL 2 1HG2 VAL 2 14.875 10.763 2.921
15 2HG2 VAL 2 3HG2 VAL 2 13.660 11.359 4.053
16 3HG2 VAL 2 2HG2 VAL 2 14.425 12.468 2.914
17 H GLY 3 H GLY 3 14.564 8.827 4.264
18 1HA GLY 3 2HA GLY 3 16.824 7.106 3.536
19 2HA GLY 3 1HA GLY 3 15.120 6.773 3.215
20 H ASP 4 H ASP 4 14.141 7.722 1.328
21 HA ASP 4 HA ASP 4 15.637 9.401 -0.495
22 1HB ASP 4 2HB ASP 4 15.874 7.685 -2.302
23 2HB ASP 4 1HB ASP 4 16.892 7.353 -0.900
24 H ARG 5 H ARG 5 14.447 9.148 -2.818
25 HA ARG 5 HA ARG 5 11.669 9.790 -2.314
26 1HB ARG 5 2HB ARG 5 13.299 9.442 -4.837
27 2HB ARG 5 1HB ARG 5 11.593 9.870 -4.859
28 1HG ARG 5 2HG ARG 5 11.959 11.954 -3.868
29 2HG ARG 5 1HG ARG 5 13.492 11.452 -3.154
30 1HD ARG 5 2HD ARG 5 13.322 11.408 -6.127
31 2HD ARG 5 1HD ARG 5 13.372 12.994 -5.356
32 HE ARG 5 HE ARG 5 15.477 12.033 -4.160
33 1HH1 ARG 5 2HH1 ARG 5 16.361 9.683 -5.015
34 2HH1 ARG 5 1HH1 ARG 5 17.045 9.874 -6.595
35 1HH2 ARG 5 1HH2 ARG 5 15.499 12.920 -7.188
36 2HH2 ARG 5 2HH2 ARG 5 16.556 11.705 -7.826
37 H CYS 6 H CYS 6 9.994 8.680 -3.899
38 HA CYS 6 HA CYS 6 10.060 5.806 -3.261
39 1HB CYS 6 2HB CYS 6 7.893 7.520 -4.515
40 2HB CYS 6 1HB CYS 6 7.701 5.864 -3.949
41 H GLU 7 H GLU 7 9.185 4.311 -5.067
42 HA GLU 7 HA GLU 7 10.663 4.962 -7.579
43 1HB GLU 7 2HB GLU 7 9.803 2.324 -6.357
44 2HB GLU 7 1HB GLU 7 10.525 2.465 -7.958
45 1HG GLU 7 2HG GLU 7 12.253 3.941 -6.355
46 2HG GLU 7 1HG GLU 7 11.803 2.584 -5.323
47 H ARG 8 H ARG 8 9.514 3.333 -9.403
48 HA ARG 8 HA ARG 8 6.842 4.553 -9.752
49 1HB ARG 8 2HB ARG 8 8.722 4.424 -11.547
50 2HB ARG 8 1HB ARG 8 8.203 2.751 -11.745
51 1HG ARG 8 2HG ARG 8 6.003 3.399 -12.384
52 2HG ARG 8 1HG ARG 8 6.253 5.057 -11.835
53 1HD ARG 8 2HD ARG 8 7.775 3.757 -14.112
54 2HD ARG 8 1HD ARG 8 6.398 4.838 -14.318
55 HE ARG 8 HE ARG 8 8.234 6.225 -12.705
56 1HH1 ARG 8 2HH1 ARG 8 10.490 5.226 -14.094
57 2HH1 ARG 8 1HH1 ARG 8 10.563 6.140 -15.564
58 1HH2 ARG 8 1HH2 ARG 8 7.276 7.225 -15.361
59 2HH2 ARG 8 2HH2 ARG 8 8.742 7.272 -16.282
60 H ASN 9 H ASN 9 7.624 2.057 -7.986
61 HA ASN 9 HA ASN 9 5.214 0.520 -8.732
62 1HB ASN 9 2HB ASN 9 7.267 -0.524 -9.859
63 2HB ASN 9 1HB ASN 9 7.834 -0.912 -8.233
64 1HD2 ASN 9 2HD2 ASN 9 4.722 -3.011 -9.845
65 2HD2 ASN 9 1HD2 ASN 9 5.327 -1.636 -10.635
66 H GLU 10 H GLU 10 4.658 1.762 -6.719
67 HA GLU 10 HA GLU 10 5.276 0.113 -4.332
68 1HB GLU 10 2HB GLU 10 5.309 2.766 -3.334
69 2HB GLU 10 1HB GLU 10 6.660 1.643 -3.400
70 1HG GLU 10 2HG GLU 10 7.355 3.674 -4.485
71 2HG GLU 10 1HG GLU 10 7.111 2.462 -5.745
72 H PHE 11 H PHE 11 3.967 1.623 -2.454
73 HA PHE 11 HA PHE 11 1.322 2.365 -3.463
74 1HB PHE 11 2HB PHE 11 0.843 0.110 -3.213
75 2HB PHE 11 1HB PHE 11 1.963 -0.073 -1.891
76 HD1 PHE 11 HD2 PHE 11 -1.313 1.530 -2.760
77 HD2 PHE 11 HD1 PHE 11 1.209 -0.066 0.328
78 HE1 PHE 11 HE2 PHE 11 -3.161 1.770 -1.121
79 HE2 PHE 11 HE1 PHE 11 -0.635 0.171 1.964
80 HZ PHE 11 HZ PHE 11 -2.822 1.080 1.243
81 H GLN 12 H GLN 12 0.884 4.252 -2.405
82 HA GLN 12 HA GLN 12 2.328 5.061 -0.026
83 1HB GLN 12 2HB GLN 12 1.320 6.590 -1.822
84 2HB GLN 12 1HB GLN 12 -0.241 6.282 -1.059
85 1HG GLN 12 2HG GLN 12 0.752 7.053 1.120
86 2HG GLN 12 1HG GLN 12 2.200 7.528 0.230
87 1HE2 GLN 12 1HE2 GLN 12 -1.310 8.174 0.491
88 2HE2 GLN 12 2HE2 GLN 12 -1.239 9.721 -0.204
89 H CYS 13 H CYS 13 1.922 3.895 1.830
90 HA CYS 13 HA CYS 13 -0.503 2.551 2.449
91 1HB CYS 13 2HB CYS 13 2.010 2.894 3.697
92 2HB CYS 13 1HB CYS 13 0.844 3.470 4.857
93 H GLN 14 H GLN 14 -1.848 3.114 4.447
94 HA GLN 14 HA GLN 14 -3.185 5.582 4.046
95 1HB GLN 14 2HB GLN 14 -4.131 3.499 5.150
96 2HB GLN 14 1HB GLN 14 -3.226 3.954 6.594
97 1HG GLN 14 2HG GLN 14 -4.496 5.894 6.936
98 2HG GLN 14 1HG GLN 14 -5.029 5.956 5.256
99 1HE2 GLN 14 2HE2 GLN 14 -8.010 4.285 6.054
100 2HE2 GLN 14 1HE2 GLN 14 -7.214 5.460 5.124
101 H ASP 15 H ASP 15 -0.294 4.789 5.820
102 HA ASP 15 HA ASP 15 -0.452 6.977 7.675
103 1HB ASP 15 2HB ASP 15 1.734 6.387 8.324
104 2HB ASP 15 1HB ASP 15 0.993 4.865 7.890
105 H GLY 16 H GLY 16 1.216 6.419 4.627
106 1HA GLY 16 2HA GLY 16 0.998 8.399 3.024
107 2HA GLY 16 1HA GLY 16 1.605 9.347 4.371
108 H LYS 17 H LYS 17 2.807 6.131 3.565
109 HA LYS 17 HA LYS 17 5.284 7.349 2.543
110 1HB LYS 17 2HB LYS 17 5.134 6.375 5.068
111 2HB LYS 17 1HB LYS 17 5.594 4.914 4.194
112 1HG LYS 17 2HG LYS 17 7.684 5.690 3.756
113 2HG LYS 17 1HG LYS 17 7.102 7.308 3.370
114 1HD LYS 17 2HD LYS 17 6.893 7.846 5.738
115 2HD LYS 17 1HD LYS 17 7.368 6.206 6.178
116 1HE LYS 17 2HE LYS 17 9.553 6.583 5.004
117 2HE LYS 17 1HE LYS 17 9.075 8.261 4.743
118 1HZ LYS 17 2HZ LYS 17 8.740 8.364 7.223
119 2HZ LYS 17 1HZ LYS 17 9.566 6.882 7.315
120 3HZ LYS 17 3HZ LYS 17 10.350 8.252 6.695
121 H CYS 18 H CYS 18 5.999 6.359 0.704
122 HA CYS 18 HA CYS 18 4.438 4.337 -0.558
123 1HB CYS 18 2HB CYS 18 6.497 4.059 -2.064
124 2HB CYS 18 1HB CYS 18 5.700 5.613 -2.069
125 H ILE 19 H ILE 19 4.907 2.189 -0.978
126 HA ILE 19 HA ILE 19 7.052 0.857 0.559
127 HB ILE 19 HB ILE 19 5.494 -0.689 1.654
128 1HG1 ILE 19 2HG1 ILE 19 3.004 0.736 1.217
129 2HG1 ILE 19 1HG1 ILE 19 3.677 0.258 -0.339
130 1HG2 ILE 19 3HG2 ILE 19 6.089 1.544 2.686
131 2HG2 ILE 19 2HG2 ILE 19 4.556 2.164 2.077
132 3HG2 ILE 19 1HG2 ILE 19 4.569 0.863 3.263
133 1HD1 ILE 19 3HD1 ILE 19 4.048 -1.987 1.305
134 2HD1 ILE 19 2HD1 ILE 19 2.438 -1.395 1.706
135 3HD1 ILE 19 1HD1 ILE 19 2.839 -1.798 0.037
136 H SER 20 H SER 20 6.874 -1.655 -0.028
137 HA SER 20 HA SER 20 6.857 -1.761 -2.947
138 1HB SER 20 2HB SER 20 8.305 -3.153 -1.253
139 2HB SER 20 1HB SER 20 6.901 -4.216 -1.190
140 HG SER 20 HG SER 20 8.781 -4.198 -2.995
141 H TYR 21 H TYR 21 5.234 -2.531 -4.271
142 HA TYR 21 HA TYR 21 2.578 -2.682 -3.302
143 1HB TYR 21 2HB TYR 21 3.409 -2.149 -5.669
144 2HB TYR 21 1HB TYR 21 3.451 -3.892 -5.871
145 HD1 TYR 21 HD2 TYR 21 1.238 -1.027 -5.058
146 HD2 TYR 21 HD1 TYR 21 1.453 -5.179 -6.132
147 HE1 TYR 21 HE2 TYR 21 -1.210 -1.052 -5.454
148 HE2 TYR 21 HE1 TYR 21 -0.994 -5.205 -6.530
149 HH TYR 21 HH TYR 21 -2.812 -2.540 -6.963
150 H LYS 22 H LYS 22 5.058 -5.080 -3.357
151 HA LYS 22 HA LYS 22 3.280 -7.370 -3.504
152 1HB LYS 22 2HB LYS 22 5.278 -8.626 -2.574
153 2HB LYS 22 1HB LYS 22 5.548 -7.808 -4.104
154 1HG LYS 22 2HG LYS 22 6.758 -6.125 -3.112
155 2HG LYS 22 1HG LYS 22 6.109 -6.426 -1.512
156 1HD LYS 22 2HD LYS 22 8.318 -7.305 -1.430
157 2HD LYS 22 1HD LYS 22 7.282 -8.713 -1.659
158 1HE LYS 22 2HE LYS 22 7.958 -7.616 -4.238
159 2HE LYS 22 1HE LYS 22 9.434 -7.863 -3.304
160 1HZ LYS 22 1HZ LYS 22 7.318 -9.919 -3.587
161 2HZ LYS 22 3HZ LYS 22 8.673 -9.828 -4.603
162 3HZ LYS 22 2HZ LYS 22 8.878 -10.120 -2.940
163 H TRP 23 H TRP 23 4.536 -5.312 -0.982
164 HA TRP 23 HA TRP 23 3.698 -6.957 1.219
165 1HB TRP 23 2HB TRP 23 4.327 -4.006 1.103
166 2HB TRP 23 1HB TRP 23 4.195 -4.959 2.568
167 HD1 TRP 23 HD1 TRP 23 6.813 -3.391 1.679
168 HE1 TRP 23 HE1 TRP 23 9.024 -4.675 1.409
169 HE3 TRP 23 HE3 TRP 23 5.041 -8.172 1.031
170 HZ2 TRP 23 HZ2 TRP 23 9.933 -7.336 0.982
171 HZ3 TRP 23 HZ3 TRP 23 6.614 -10.040 0.698
172 HH2 TRP 23 HH2 TRP 23 9.056 -9.634 0.673
173 H VAL 24 H VAL 24 2.300 -4.264 -0.590
174 HA VAL 24 HA VAL 24 0.032 -4.025 1.203
175 HB VAL 24 HB VAL 24 0.848 -2.095 -0.138
176 1HG1 VAL 24 2HG1 VAL 24 1.296 -3.571 -2.163
177 2HG1 VAL 24 1HG1 VAL 24 -0.423 -3.428 -2.513
178 3HG1 VAL 24 3HG1 VAL 24 0.595 -1.987 -2.477
179 1HG2 VAL 24 2HG2 VAL 24 -1.981 -3.050 -0.589
180 2HG2 VAL 24 1HG2 VAL 24 -1.405 -1.898 0.611
181 3HG2 VAL 24 3HG2 VAL 24 -1.430 -1.451 -1.090
182 H CYS 25 H CYS 25 -1.877 -5.092 1.121
183 HA CYS 25 HA CYS 25 -3.494 -6.648 0.465
184 1HB CYS 25 2HB CYS 25 -2.556 -5.578 -2.199
185 2HB CYS 25 1HB CYS 25 -3.780 -6.843 -2.102
186 H ASP 26 H ASP 26 -2.026 -8.263 1.441
187 HA ASP 26 HA ASP 26 -1.170 -10.260 -0.595
188 1HB ASP 26 2HB ASP 26 0.732 -8.762 0.566
189 2HB ASP 26 1HB ASP 26 0.521 -9.955 1.849
190 H GLY 27 H GLY 27 -1.623 -9.653 2.896
191 1HA GLY 27 2HA GLY 27 -3.531 -11.713 3.241
192 2HA GLY 27 1HA GLY 27 -1.952 -12.316 3.724
193 H SER 28 H SER 28 -0.745 -10.340 4.988
194 HA SER 28 HA SER 28 -2.647 -9.513 7.149
195 1HB SER 28 2HB SER 28 -0.635 -11.234 7.535
196 2HB SER 28 1HB SER 28 0.285 -9.739 7.683
197 HG SER 28 HG SER 28 -0.515 -9.632 9.616
198 H ALA 29 H ALA 29 -1.238 -7.674 8.496
199 HA ALA 29 HA ALA 29 -1.024 -5.466 6.560
200 1HB ALA 29 1HB ALA 29 -2.097 -5.442 8.965
201 2HB ALA 29 3HB ALA 29 -0.435 -5.177 9.492
202 3HB ALA 29 2HB ALA 29 -1.204 -4.032 8.394
203 H GLU 30 H GLU 30 0.943 -6.436 5.535
204 HA GLU 30 HA GLU 30 3.401 -6.167 7.168
205 1HB GLU 30 2HB GLU 30 4.485 -7.216 5.126
206 2HB GLU 30 1HB GLU 30 3.347 -8.239 5.991
207 1HG GLU 30 2HG GLU 30 1.632 -7.838 4.347
208 2HG GLU 30 1HG GLU 30 2.597 -6.584 3.567
209 H CYS 31 H CYS 31 1.651 -3.962 5.729
210 HA CYS 31 HA CYS 31 3.319 -2.746 3.736
211 1HB CYS 31 2HB CYS 31 0.970 -2.075 4.050
212 2HB CYS 31 1HB CYS 31 1.320 -1.523 5.683
213 H GLN 32 H GLN 32 4.800 -0.925 4.048
214 HA GLN 32 HA GLN 32 6.731 -1.209 6.062
215 1HB GLN 32 2HB GLN 32 6.983 0.157 3.974
216 2HB GLN 32 1HB GLN 32 5.976 1.401 4.717
217 1HG GLN 32 2HG GLN 32 8.306 0.414 6.295
218 2HG GLN 32 1HG GLN 32 8.647 1.447 4.908
219 1HE2 GLN 32 2HE2 GLN 32 6.745 4.232 6.341
220 2HE2 GLN 32 1HE2 GLN 32 6.898 3.424 4.856
221 H ASP 33 H ASP 33 3.636 0.410 6.220
222 HA ASP 33 HA ASP 33 4.286 1.379 8.969
223 1HB ASP 33 2HB ASP 33 3.438 3.030 7.199
224 2HB ASP 33 1HB ASP 33 1.890 2.192 7.312
225 H GLY 34 H GLY 34 1.347 0.266 7.222
226 1HA GLY 34 2HA GLY 34 0.675 -2.096 8.182
227 2HA GLY 34 1HA GLY 34 0.530 -1.155 9.658
228 H SER 35 H SER 35 -0.437 -0.514 6.268
229 HA SER 35 HA SER 35 -3.271 -0.454 7.094
230 1HB SER 35 2HB SER 35 -1.780 1.987 6.113
231 2HB SER 35 1HB SER 35 -3.535 1.852 6.068
232 HG SER 35 HG SER 35 -3.542 2.301 8.110
233 H ASP 36 H ASP 36 -2.101 -2.266 5.369
234 HA ASP 36 HA ASP 36 -2.837 -1.346 2.617
235 1HB ASP 36 2HB ASP 36 -1.582 -3.365 1.927
236 2HB ASP 36 1HB ASP 36 -0.581 -2.206 2.776
237 H GLU 37 H GLU 37 -3.344 -3.869 5.043
238 HA GLU 37 HA GLU 37 -4.969 -5.614 3.486
239 1HB GLU 37 2HB GLU 37 -4.503 -5.177 6.407
240 2HB GLU 37 1HB GLU 37 -5.853 -6.196 5.910
241 1HG GLU 37 2HG GLU 37 -3.095 -6.596 4.759
242 2HG GLU 37 1HG GLU 37 -3.566 -7.343 6.286
243 H SER 38 H SER 38 -5.746 -2.516 4.800
244 HA SER 38 HA SER 38 -8.441 -2.728 5.488
245 1HB SER 38 2HB SER 38 -6.960 -0.649 5.526
246 2HB SER 38 1HB SER 38 -7.356 -0.456 3.820
247 HG SER 38 HG SER 38 -9.031 0.550 4.622
248 H GLN 39 H GLN 39 -10.412 -2.281 4.232
249 HA GLN 39 HA GLN 39 -10.432 -3.718 1.670
250 1HB GLN 39 2HB GLN 39 -12.419 -2.696 3.609
251 2HB GLN 39 1HB GLN 39 -12.932 -2.572 1.925
252 1HG GLN 39 2HG GLN 39 -12.279 -4.993 1.635
253 2HG GLN 39 1HG GLN 39 -12.020 -5.070 3.378
254 1HE2 GLN 39 2HE2 GLN 39 -15.446 -5.435 4.089
255 2HE2 GLN 39 1HE2 GLN 39 -13.844 -5.513 4.645
256 H GLU 40 H GLU 40 -11.238 -0.336 2.646
257 HA GLU 40 HA GLU 40 -11.793 0.749 0.148
258 1HB GLU 40 2HB GLU 40 -10.504 1.812 2.619
259 2HB GLU 40 1HB GLU 40 -10.384 2.794 1.161
260 1HG GLU 40 2HG GLU 40 -12.988 2.193 1.007
261 2HG GLU 40 1HG GLU 40 -12.793 2.054 2.755
262 H THR 41 H THR 41 -8.687 -0.300 1.340
263 HA THR 41 HA THR 41 -7.225 0.879 -0.895
264 HB THR 41 HB THR 41 -6.363 -0.914 1.393
265 HG1 THR 41 HG1 THR 41 -6.038 1.851 0.868
266 1HG2 THR 41 3HG2 THR 41 -4.914 -1.179 -0.612
267 2HG2 THR 41 2HG2 THR 41 -4.648 0.563 -0.624
268 3HG2 THR 41 1HG2 THR 41 -4.066 -0.409 0.727
269 H CYS 42 H CYS 42 -8.290 -2.293 0.264
270 HA CYS 42 HA CYS 42 -7.326 -3.555 -2.246
271 1HB CYS 42 2HB CYS 42 -7.035 -4.216 0.429
272 2HB CYS 42 1HB CYS 42 -8.358 -5.242 -0.077
273 H LEU 43 H LEU 43 -9.878 -1.972 -2.038
274 HA LEU 43 HA LEU 43 -12.124 -3.611 -1.683
275 1HB LEU 43 2HB LEU 43 -11.543 -1.057 -3.086
276 2HB LEU 43 1HB LEU 43 -12.997 -1.901 -3.615
277 HG LEU 43 HG LEU 43 -12.352 -1.282 -0.734
278 1HD1 LEU 43 1HD1 LEU 43 -13.990 0.200 -2.791
279 2HD1 LEU 43 3HD1 LEU 43 -14.265 0.402 -1.061
280 3HD1 LEU 43 2HD1 LEU 43 -12.704 0.831 -1.761
281 1HD2 LEU 43 3HD2 LEU 43 -14.054 -3.169 -1.709
282 2HD2 LEU 43 2HD2 LEU 43 -14.331 -2.306 -0.197
283 3HD2 LEU 43 1HD2 LEU 43 -15.123 -1.768 -1.676
284 H SER 44 H SER 44 -12.537 -5.506 -2.780
285 HA SER 44 HA SER 44 -12.218 -5.515 -5.735
286 1HB SER 44 2HB SER 44 -11.257 -7.907 -5.448
287 2HB SER 44 1HB SER 44 -10.179 -6.545 -5.159
288 HG SER 44 HG SER 44 -11.691 -7.868 -3.150
289 H VAL 45 H VAL 45 -14.633 -5.292 -4.384
290 HA VAL 45 HA VAL 45 -15.797 -8.037 -4.589
291 HB VAL 45 HB VAL 45 -16.075 -7.015 -2.370
292 1HG1 VAL 45 1HG1 VAL 45 -16.992 -4.710 -4.020
293 2HG1 VAL 45 3HG1 VAL 45 -17.833 -4.989 -2.496
294 3HG1 VAL 45 2HG1 VAL 45 -16.090 -4.724 -2.506
295 1HG2 VAL 45 3HG2 VAL 45 -17.953 -8.345 -3.655
296 2HG2 VAL 45 2HG2 VAL 45 -18.327 -7.563 -2.119
297 3HG2 VAL 45 1HG2 VAL 45 -18.788 -6.793 -3.637
298 H THR 46 HN THR 46 -15.884 -4.784 -5.857
299 HA THR 46 HA THR 46 -18.056 -5.640 -7.726
300 HB THR 46 HB THR 46 -18.973 -3.958 -6.232
301 HG1 THR 46 HG1 THR 46 -19.358 -2.307 -7.798
302 1HG2 THR 46 3HG2 THR 46 -16.572 -2.285 -7.025
303 2HG2 THR 46 2HG2 THR 46 -17.909 -1.742 -6.013
304 3HG2 THR 46 1HG2 THR 46 -16.836 -3.021 -5.443
No H/Q in entry = 304
Start of MODEL 10
Start of MODEL 10
1 1H ALA 1 2H ALA 1 17.517 5.347 -0.946
2 2H ALA 1 1H ALA 1 19.199 5.389 -0.711
3 3H ALA 1 3H ALA 1 18.156 5.529 0.618
4 HA ALA 1 HA ALA 1 18.882 7.702 0.215
5 1HB ALA 1 1HB ALA 1 19.669 6.968 -2.158
6 2HB ALA 1 3HB ALA 1 18.062 7.480 -2.676
7 3HB ALA 1 2HB ALA 1 19.159 8.640 -1.924
8 H VAL 2 H VAL 2 17.453 9.628 -0.156
9 HA VAL 2 HA VAL 2 14.641 9.121 -0.799
10 HB VAL 2 HB VAL 2 14.742 8.310 1.515
11 1HG1 VAL 2 2HG1 VAL 2 16.611 10.412 1.837
12 2HG1 VAL 2 1HG1 VAL 2 15.246 10.804 2.883
13 3HG1 VAL 2 3HG1 VAL 2 16.074 9.256 3.055
14 1HG2 VAL 2 2HG2 VAL 2 12.735 9.582 0.730
15 2HG2 VAL 2 1HG2 VAL 2 12.994 9.719 2.469
16 3HG2 VAL 2 3HG2 VAL 2 13.442 11.051 1.402
17 H GLY 3 H GLY 3 15.153 10.774 -2.362
18 1HA GLY 3 2HA GLY 3 15.574 13.499 -1.206
19 2HA GLY 3 1HA GLY 3 15.999 13.045 -2.857
20 H ASP 4 H ASP 4 14.078 12.295 -4.224
21 HA ASP 4 HA ASP 4 11.940 14.291 -3.970
22 1HB ASP 4 2HB ASP 4 12.346 12.093 -6.024
23 2HB ASP 4 1HB ASP 4 11.188 13.417 -6.146
24 H ARG 5 H ARG 5 9.656 13.103 -4.774
25 HA ARG 5 HA ARG 5 8.724 11.739 -2.450
26 1HB ARG 5 2HB ARG 5 6.700 11.263 -3.862
27 2HB ARG 5 1HB ARG 5 7.163 12.959 -3.830
28 1HG ARG 5 2HG ARG 5 8.098 12.859 -6.006
29 2HG ARG 5 1HG ARG 5 8.142 11.096 -5.994
30 1HD ARG 5 2HD ARG 5 6.280 11.916 -7.390
31 2HD ARG 5 1HD ARG 5 5.673 11.034 -5.989
32 HE ARG 5 HE ARG 5 5.874 13.858 -5.419
33 1HH1 ARG 5 2HH1 ARG 5 3.602 12.101 -4.566
34 2HH1 ARG 5 1HH1 ARG 5 2.304 12.680 -5.555
35 1HH2 ARG 5 1HH2 ARG 5 4.384 14.343 -7.775
36 2HH2 ARG 5 2HH2 ARG 5 2.746 13.949 -7.372
37 H CYS 6 H CYS 6 7.419 9.537 -2.917
38 HA CYS 6 HA CYS 6 9.464 7.535 -3.428
39 1HB CYS 6 2HB CYS 6 6.482 7.133 -3.037
40 2HB CYS 6 1HB CYS 6 7.749 5.934 -2.826
41 H GLU 7 H GLU 7 8.230 5.520 -4.787
42 HA GLU 7 HA GLU 7 8.127 6.619 -7.529
43 1HB GLU 7 2HB GLU 7 8.320 3.823 -6.396
44 2HB GLU 7 1HB GLU 7 8.028 4.112 -8.111
45 1HG GLU 7 2HG GLU 7 10.112 5.796 -7.712
46 2HG GLU 7 1HG GLU 7 10.487 4.562 -6.508
47 H ARG 8 H ARG 8 6.436 5.298 -8.977
48 HA ARG 8 HA ARG 8 3.794 5.868 -7.775
49 1HB ARG 8 2HB ARG 8 4.456 6.688 -10.080
50 2HB ARG 8 1HB ARG 8 4.410 5.007 -10.611
51 1HG ARG 8 2HG ARG 8 2.020 5.039 -9.486
52 2HG ARG 8 1HG ARG 8 2.154 6.779 -9.741
53 1HD ARG 8 2HD ARG 8 1.190 6.111 -11.752
54 2HD ARG 8 1HD ARG 8 2.904 6.065 -12.166
55 HE ARG 8 HE ARG 8 2.080 3.514 -11.130
56 1HH1 ARG 8 2HH1 ARG 8 0.025 4.597 -13.250
57 2HH1 ARG 8 1HH1 ARG 8 0.601 3.764 -14.655
58 1HH2 ARG 8 1HH2 ARG 8 3.618 2.854 -13.205
59 2HH2 ARG 8 2HH2 ARG 8 2.635 2.777 -14.629
60 H ASN 9 H ASN 9 5.706 3.150 -8.919
61 HA ASN 9 HA ASN 9 3.598 1.213 -9.034
62 1HB ASN 9 2HB ASN 9 6.589 1.053 -8.699
63 2HB ASN 9 1HB ASN 9 5.592 -0.397 -8.618
64 1HD2 ASN 9 2HD2 ASN 9 6.647 0.716 -12.206
65 2HD2 ASN 9 1HD2 ASN 9 7.530 0.900 -10.769
66 H GLU 10 H GLU 10 5.448 2.562 -6.386
67 HA GLU 10 HA GLU 10 5.010 0.534 -4.425
68 1HB GLU 10 2HB GLU 10 5.213 3.546 -4.042
69 2HB GLU 10 1HB GLU 10 5.439 2.344 -2.781
70 1HG GLU 10 2HG GLU 10 7.149 2.683 -5.256
71 2HG GLU 10 1HG GLU 10 7.611 3.093 -3.610
72 H PHE 11 H PHE 11 3.691 1.568 -2.325
73 HA PHE 11 HA PHE 11 0.954 2.260 -3.244
74 1HB PHE 11 2HB PHE 11 0.779 -0.067 -2.822
75 2HB PHE 11 1HB PHE 11 1.801 0.055 -1.407
76 HD1 PHE 11 HD2 PHE 11 -1.472 1.379 -2.701
77 HD2 PHE 11 HD1 PHE 11 0.817 0.092 0.692
78 HE1 PHE 11 HE2 PHE 11 -3.471 1.644 -1.248
79 HE2 PHE 11 HE1 PHE 11 -1.179 0.358 2.142
80 HZ PHE 11 HZ PHE 11 -3.315 1.122 1.182
81 H GLN 12 H GLN 12 0.229 4.035 -2.146
82 HA GLN 12 HA GLN 12 1.899 5.209 -0.080
83 1HB GLN 12 2HB GLN 12 0.638 6.553 -1.773
84 2HB GLN 12 1HB GLN 12 -0.865 6.054 -0.998
85 1HG GLN 12 2HG GLN 12 0.222 6.972 1.183
86 2HG GLN 12 1HG GLN 12 1.315 7.824 0.092
87 1HE2 GLN 12 2HE2 GLN 12 -1.998 9.698 0.811
88 2HE2 GLN 12 1HE2 GLN 12 -1.055 8.768 1.872
89 H CYS 13 H CYS 13 1.855 4.004 1.826
90 HA CYS 13 HA CYS 13 -0.292 2.636 3.005
91 1HB CYS 13 2HB CYS 13 1.959 4.182 4.327
92 2HB CYS 13 1HB CYS 13 0.925 3.037 5.156
93 H GLN 14 H GLN 14 -1.942 3.284 4.471
94 HA GLN 14 HA GLN 14 -3.249 5.714 4.128
95 1HB GLN 14 2HB GLN 14 -4.024 3.571 5.363
96 2HB GLN 14 1HB GLN 14 -3.297 4.310 6.790
97 1HG GLN 14 2HG GLN 14 -5.303 5.335 7.050
98 2HG GLN 14 1HG GLN 14 -4.758 6.404 5.758
99 1HE2 GLN 14 2HE2 GLN 14 -7.165 3.274 4.580
100 2HE2 GLN 14 1HE2 GLN 14 -5.961 2.996 5.744
101 H ASP 15 H ASP 15 -0.708 4.955 6.477
102 HA ASP 15 HA ASP 15 -0.883 7.304 8.039
103 1HB ASP 15 2HB ASP 15 1.425 6.794 8.699
104 2HB ASP 15 1HB ASP 15 0.448 5.342 8.674
105 H GLY 16 H GLY 16 0.986 6.576 5.155
106 1HA GLY 16 2HA GLY 16 0.962 8.560 3.515
107 2HA GLY 16 1HA GLY 16 1.639 9.439 4.875
108 H LYS 17 H LYS 17 2.494 6.100 4.004
109 HA LYS 17 HA LYS 17 5.206 7.094 3.345
110 1HB LYS 17 2HB LYS 17 4.439 5.325 5.394
111 2HB LYS 17 1HB LYS 17 5.169 4.307 4.153
112 1HG LYS 17 2HG LYS 17 7.003 4.969 5.483
113 2HG LYS 17 1HG LYS 17 7.065 6.075 4.110
114 1HD LYS 17 2HD LYS 17 5.685 7.696 5.497
115 2HD LYS 17 1HD LYS 17 5.967 6.631 6.875
116 1HE LYS 17 2HE LYS 17 8.264 7.067 6.912
117 2HE LYS 17 1HE LYS 17 8.294 7.573 5.222
118 1HZ LYS 17 2HZ LYS 17 6.818 9.083 7.296
119 2HZ LYS 17 1HZ LYS 17 8.454 9.385 6.954
120 3HZ LYS 17 3HZ LYS 17 7.283 9.602 5.746
121 H CYS 18 H CYS 18 6.335 4.908 2.205
122 HA CYS 18 HA CYS 18 4.447 4.076 0.055
123 1HB CYS 18 2HB CYS 18 6.753 4.046 -1.312
124 2HB CYS 18 1HB CYS 18 5.721 5.457 -1.271
125 H ILE 19 H ILE 19 4.895 2.001 -0.831
126 HA ILE 19 HA ILE 19 7.051 0.364 0.336
127 HB ILE 19 HB ILE 19 5.370 -1.429 0.999
128 1HG1 ILE 19 2HG1 ILE 19 3.264 0.536 1.538
129 2HG1 ILE 19 1HG1 ILE 19 3.552 0.337 -0.189
130 1HG2 ILE 19 2HG2 ILE 19 6.531 0.499 2.461
131 2HG2 ILE 19 1HG2 ILE 19 4.839 0.911 2.746
132 3HG2 ILE 19 3HG2 ILE 19 5.437 -0.696 3.141
133 1HD1 ILE 19 1HD1 ILE 19 3.532 -2.218 1.249
134 2HD1 ILE 19 3HD1 ILE 19 2.008 -1.342 1.388
135 3HD1 ILE 19 2HD1 ILE 19 2.655 -1.737 -0.204
136 H SER 20 H SER 20 6.512 -2.056 -0.495
137 HA SER 20 HA SER 20 6.342 -1.757 -3.424
138 1HB SER 20 2HB SER 20 7.394 -3.802 -3.522
139 2HB SER 20 1HB SER 20 7.741 -3.497 -1.825
140 HG SER 20 HG SER 20 6.712 -5.571 -2.425
141 H TYR 21 H TYR 21 4.606 -2.441 -4.703
142 HA TYR 21 HA TYR 21 2.034 -2.555 -3.501
143 1HB TYR 21 2HB TYR 21 2.746 -1.883 -5.907
144 2HB TYR 21 1HB TYR 21 2.562 -3.602 -6.218
145 HD1 TYR 21 HD2 TYR 21 0.791 -0.642 -4.818
146 HD2 TYR 21 HD1 TYR 21 0.425 -4.571 -6.514
147 HE1 TYR 21 HE2 TYR 21 -1.673 -0.369 -4.923
148 HE2 TYR 21 HE1 TYR 21 -2.039 -4.300 -6.617
149 HH TYR 21 HH TYR 21 -3.690 -2.515 -6.672
150 H LYS 22 H LYS 22 4.430 -4.966 -3.872
151 HA LYS 22 HA LYS 22 2.659 -7.244 -4.144
152 1HB LYS 22 2HB LYS 22 5.404 -7.345 -2.982
153 2HB LYS 22 1HB LYS 22 4.569 -8.600 -3.857
154 1HG LYS 22 2HG LYS 22 5.176 -7.756 -5.862
155 2HG LYS 22 1HG LYS 22 5.006 -6.088 -5.368
156 1HD LYS 22 2HD LYS 22 7.286 -6.097 -5.446
157 2HD LYS 22 1HD LYS 22 7.144 -6.852 -3.859
158 1HE LYS 22 2HE LYS 22 6.856 -9.028 -5.481
159 2HE LYS 22 1HE LYS 22 7.958 -8.040 -6.440
160 1HZ LYS 22 2HZ LYS 22 8.451 -8.400 -3.563
161 2HZ LYS 22 1HZ LYS 22 8.891 -9.632 -4.647
162 3HZ LYS 22 3HZ LYS 22 9.557 -8.082 -4.813
163 H TRP 23 H TRP 23 4.164 -5.485 -1.500
164 HA TRP 23 HA TRP 23 3.373 -7.322 0.556
165 1HB TRP 23 2HB TRP 23 3.995 -4.400 0.964
166 2HB TRP 23 1HB TRP 23 4.234 -5.722 2.090
167 HD1 TRP 23 HD1 TRP 23 6.423 -3.597 0.731
168 HE1 TRP 23 HE1 TRP 23 8.570 -4.626 -0.255
169 HE3 TRP 23 HE3 TRP 23 4.923 -8.457 0.214
170 HZ2 TRP 23 HZ2 TRP 23 9.532 -7.173 -1.120
171 HZ3 TRP 23 HZ3 TRP 23 6.477 -10.159 -0.685
172 HH2 TRP 23 HH2 TRP 23 8.779 -9.526 -1.352
173 H VAL 24 H VAL 24 2.088 -4.222 -0.608
174 HA VAL 24 HA VAL 24 0.033 -3.961 1.314
175 HB VAL 24 HB VAL 24 0.706 -2.114 -0.162
176 1HG1 VAL 24 3HG1 VAL 24 1.004 -3.602 -2.167
177 2HG1 VAL 24 2HG1 VAL 24 -0.748 -3.589 -2.355
178 3HG1 VAL 24 1HG1 VAL 24 0.167 -2.087 -2.493
179 1HG2 VAL 24 3HG2 VAL 24 -2.192 -2.968 -0.365
180 2HG2 VAL 24 2HG2 VAL 24 -1.481 -1.827 0.769
181 3HG2 VAL 24 1HG2 VAL 24 -1.612 -1.403 -0.932
182 H CYS 25 H CYS 25 -1.913 -4.941 1.583
183 HA CYS 25 HA CYS 25 -3.687 -6.433 1.253
184 1HB CYS 25 2HB CYS 25 -4.304 -4.784 -0.459
185 2HB CYS 25 1HB CYS 25 -3.236 -5.560 -1.624
186 H ASP 26 H ASP 26 -2.368 -8.248 1.889
187 HA ASP 26 HA ASP 26 -1.997 -10.197 -0.297
188 1HB ASP 26 2HB ASP 26 0.198 -8.754 0.802
189 2HB ASP 26 1HB ASP 26 0.304 -10.394 1.438
190 H GLY 27 H GLY 27 -1.695 -9.567 3.202
191 1HA GLY 27 2HA GLY 27 -3.441 -11.705 3.895
192 2HA GLY 27 1HA GLY 27 -1.770 -12.186 4.154
193 H SER 28 H SER 28 -0.759 -9.640 4.941
194 HA SER 28 HA SER 28 -2.331 -8.977 7.379
195 1HB SER 28 2HB SER 28 -0.126 -10.640 7.476
196 2HB SER 28 1HB SER 28 0.574 -9.065 7.833
197 HG SER 28 HG SER 28 -0.345 -9.161 9.711
198 H ALA 29 H ALA 29 -0.729 -7.136 8.535
199 HA ALA 29 HA ALA 29 -0.872 -4.896 6.684
200 1HB ALA 29 1HB ALA 29 -0.764 -5.260 9.503
201 2HB ALA 29 3HB ALA 29 0.619 -4.257 9.066
202 3HB ALA 29 2HB ALA 29 -1.012 -3.755 8.620
203 H GLU 30 H GLU 30 0.666 -5.540 5.043
204 HA GLU 30 HA GLU 30 3.509 -5.593 5.884
205 1HB GLU 30 2HB GLU 30 2.361 -6.295 3.176
206 2HB GLU 30 1HB GLU 30 3.951 -6.690 3.808
207 1HG GLU 30 2HG GLU 30 2.992 -8.169 5.474
208 2HG GLU 30 1HG GLU 30 1.364 -7.681 5.009
209 H CYS 31 H CYS 31 1.926 -3.141 5.728
210 HA CYS 31 HA CYS 31 2.889 -1.753 3.298
211 1HB CYS 31 2HB CYS 31 0.634 -1.447 4.744
212 2HB CYS 31 1HB CYS 31 1.644 -0.284 5.574
213 H GLN 32 H GLN 32 4.938 -2.789 5.136
214 HA GLN 32 HA GLN 32 6.806 -2.111 6.377
215 1HB GLN 32 2HB GLN 32 7.178 -1.089 4.097
216 2HB GLN 32 1HB GLN 32 6.484 0.409 4.717
217 1HG GLN 32 2HG GLN 32 8.361 -0.232 6.657
218 2HG GLN 32 1HG GLN 32 9.150 -0.743 5.168
219 1HE2 GLN 32 2HE2 GLN 32 9.462 3.050 5.954
220 2HE2 GLN 32 1HE2 GLN 32 9.450 1.752 7.048
221 H ASP 33 H ASP 33 4.133 -1.457 7.464
222 HA ASP 33 HA ASP 33 4.878 0.102 9.732
223 1HB ASP 33 2HB ASP 33 4.746 1.914 7.947
224 2HB ASP 33 1HB ASP 33 3.023 1.555 7.822
225 H GLY 34 H GLY 34 2.000 -0.383 7.637
226 1HA GLY 34 2HA GLY 34 0.518 -2.289 8.534
227 2HA GLY 34 1HA GLY 34 0.536 -1.345 10.013
228 H SER 35 H SER 35 -0.101 -0.761 6.531
229 HA SER 35 HA SER 35 -2.715 0.412 7.233
230 1HB SER 35 2HB SER 35 -0.768 2.066 5.630
231 2HB SER 35 1HB SER 35 -2.295 2.567 6.347
232 HG SER 35 HG SER 35 0.208 2.220 7.495
233 H ASP 36 H ASP 36 -1.549 -1.843 5.550
234 HA ASP 36 HA ASP 36 -2.529 -1.059 2.832
235 1HB ASP 36 2HB ASP 36 -1.433 -3.154 2.150
236 2HB ASP 36 1HB ASP 36 -0.298 -2.063 2.919
237 H GLU 37 H GLU 37 -3.190 -3.147 5.575
238 HA GLU 37 HA GLU 37 -4.778 -5.134 4.376
239 1HB GLU 37 2HB GLU 37 -4.730 -3.896 7.114
240 2HB GLU 37 1HB GLU 37 -5.923 -5.127 6.707
241 1HG GLU 37 2HG GLU 37 -3.863 -6.465 5.800
242 2HG GLU 37 1HG GLU 37 -2.928 -5.370 6.820
243 H SER 38 H SER 38 -5.536 -1.774 4.632
244 HA SER 38 HA SER 38 -8.276 -1.647 5.033
245 1HB SER 38 2HB SER 38 -6.460 0.157 4.243
246 2HB SER 38 1HB SER 38 -7.226 -0.141 2.686
247 HG SER 38 HG SER 38 -9.166 0.491 3.528
248 H GLN 39 H GLN 39 -10.087 -1.535 3.429
249 HA GLN 39 HA GLN 39 -9.840 -3.776 1.508
250 1HB GLN 39 2HB GLN 39 -11.856 -2.998 3.249
251 2HB GLN 39 1HB GLN 39 -12.457 -2.434 1.691
252 1HG GLN 39 2HG GLN 39 -13.244 -4.625 1.703
253 2HG GLN 39 1HG GLN 39 -11.701 -4.826 0.871
254 1HE2 GLN 39 2HE2 GLN 39 -12.290 -6.837 4.261
255 2HE2 GLN 39 1HE2 GLN 39 -13.534 -6.138 3.343
256 H GLU 40 H GLU 40 -10.278 -0.268 1.504
257 HA GLU 40 HA GLU 40 -11.248 0.125 -1.108
258 1HB GLU 40 2HB GLU 40 -9.396 1.725 0.646
259 2HB GLU 40 1HB GLU 40 -9.730 2.253 -1.003
260 1HG GLU 40 2HG GLU 40 -12.256 1.705 -0.140
261 2HG GLU 40 1HG GLU 40 -11.507 2.229 1.368
262 H THR 41 H THR 41 -8.023 -0.624 0.034
263 HA THR 41 HA THR 41 -6.962 -0.663 -2.702
264 HB THR 41 HB THR 41 -5.601 -1.090 -0.025
265 HG1 THR 41 HG1 THR 41 -6.114 1.023 -0.217
266 1HG2 THR 41 3HG2 THR 41 -4.479 -2.271 -1.898
267 2HG2 THR 41 2HG2 THR 41 -4.402 -0.751 -2.789
268 3HG2 THR 41 1HG2 THR 41 -3.507 -0.936 -1.283
269 H CYS 42 H CYS 42 -7.898 -2.733 -0.035
270 HA CYS 42 HA CYS 42 -7.168 -5.145 -1.624
271 1HB CYS 42 2HB CYS 42 -6.331 -4.567 0.849
272 2HB CYS 42 1HB CYS 42 -7.895 -5.228 1.273
273 H LEU 43 H LEU 43 -9.405 -4.120 -2.587
274 HA LEU 43 HA LEU 43 -11.654 -5.326 -1.114
275 1HB LEU 43 2HB LEU 43 -13.035 -3.987 -2.896
276 2HB LEU 43 1HB LEU 43 -12.329 -3.132 -1.531
277 HG LEU 43 HG LEU 43 -10.404 -2.473 -2.937
278 1HD1 LEU 43 2HD1 LEU 43 -11.925 -4.007 -5.062
279 2HD1 LEU 43 1HD1 LEU 43 -10.632 -2.865 -5.430
280 3HD1 LEU 43 3HD1 LEU 43 -10.286 -4.317 -4.489
281 1HD2 LEU 43 1HD2 LEU 43 -13.162 -1.871 -4.033
282 2HD2 LEU 43 3HD2 LEU 43 -12.243 -0.921 -2.866
283 3HD2 LEU 43 2HD2 LEU 43 -11.710 -1.012 -4.545
284 H SER 44 H SER 44 -9.965 -7.090 -2.422
285 HA SER 44 HA SER 44 -11.829 -8.262 -4.385
286 1HB SER 44 2HB SER 44 -9.185 -7.098 -5.080
287 2HB SER 44 1HB SER 44 -9.536 -8.683 -5.767
288 HG SER 44 HG SER 44 -11.412 -7.837 -6.657
289 H VAL 45 H VAL 45 -11.998 -9.801 -2.597
290 HA VAL 45 HA VAL 45 -9.676 -11.684 -2.507
291 HB VAL 45 HB VAL 45 -11.567 -11.048 -0.220
292 1HG1 VAL 45 3HG1 VAL 45 -10.561 -13.365 -0.323
293 2HG1 VAL 45 2HG1 VAL 45 -8.969 -12.611 -0.235
294 3HG1 VAL 45 1HG1 VAL 45 -10.101 -12.439 1.106
295 1HG2 VAL 45 1HG2 VAL 45 -10.060 -9.155 -0.730
296 2HG2 VAL 45 3HG2 VAL 45 -9.613 -9.925 0.792
297 3HG2 VAL 45 2HG2 VAL 45 -8.673 -10.243 -0.666
298 H THR 46 HN THR 46 -10.330 -13.475 -3.596
299 HA THR 46 HA THR 46 -11.655 -15.281 -4.288
300 HB THR 46 HB THR 46 -13.415 -14.814 -1.891
301 HG1 THR 46 HG1 THR 46 -11.845 -15.354 -0.578
302 1HG2 THR 46 3HG2 THR 46 -13.875 -16.680 -3.476
303 2HG2 THR 46 2HG2 THR 46 -12.260 -17.313 -3.157
304 3HG2 THR 46 1HG2 THR 46 -13.457 -17.254 -1.862
No H/Q in entry = 304
No H/Q in entry = 304
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