NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
17433 |
2cpb   |
4197 | cing | recoord | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ALA 1 1H ALA 1 -20.809 -17.103 -21.926
2 2H ALA 1 3H ALA 1 -19.450 -16.104 -22.091
3 3H ALA 1 2H ALA 1 -20.485 -15.913 -20.758
4 HA ALA 1 HA ALA 1 -21.270 -14.229 -22.005
5 1HB ALA 1 2HB ALA 1 -19.929 -15.701 -24.141
6 2HB ALA 1 1HB ALA 1 -21.436 -14.949 -24.667
7 3HB ALA 1 3HB ALA 1 -20.164 -13.963 -23.944
8 H GLU 2 H GLU 2 -23.222 -14.703 -21.025
9 HA GLU 2 HA GLU 2 -25.158 -16.125 -22.737
10 1HB GLU 2 2HB GLU 2 -26.194 -17.110 -20.770
11 2HB GLU 2 1HB GLU 2 -24.501 -17.589 -20.867
12 1HG GLU 2 2HG GLU 2 -24.238 -15.377 -19.361
13 2HG GLU 2 1HG GLU 2 -25.874 -15.847 -18.895
14 H GLY 3 H GLY 3 -27.463 -15.658 -21.764
15 1HA GLY 3 2HA GLY 3 -28.196 -13.108 -22.257
16 2HA GLY 3 1HA GLY 3 -29.118 -14.177 -21.213
17 H ASP 4 H ASP 4 -29.316 -11.603 -20.609
18 HA ASP 4 HA ASP 4 -27.328 -10.574 -18.845
19 1HB ASP 4 2HB ASP 4 -29.953 -9.785 -19.821
20 2HB ASP 4 1HB ASP 4 -29.732 -9.387 -18.115
21 H ASP 5 H ASP 5 -27.047 -12.625 -17.570
22 HA ASP 5 HA ASP 5 -29.055 -12.742 -15.424
23 1HB ASP 5 2HB ASP 5 -28.423 -14.787 -17.110
24 2HB ASP 5 1HB ASP 5 -27.323 -15.081 -15.764
25 HA PRO 6 HA PRO 6 -24.749 -11.746 -13.719
26 1HB PRO 6 2HB PRO 6 -25.186 -9.158 -13.035
27 2HB PRO 6 1HB PRO 6 -24.509 -9.639 -14.601
28 1HG PRO 6 2HG PRO 6 -27.298 -8.840 -13.918
29 2HG PRO 6 1HG PRO 6 -26.338 -8.456 -15.356
30 1HD PRO 6 2HD PRO 6 -28.260 -10.373 -15.305
31 2HD PRO 6 1HD PRO 6 -26.847 -10.432 -16.379
32 H ALA 7 H ALA 7 -28.076 -11.304 -12.968
33 HA ALA 7 HA ALA 7 -27.950 -10.702 -10.216
34 1HB ALA 7 3HB ALA 7 -29.949 -10.709 -11.955
35 2HB ALA 7 2HB ALA 7 -30.167 -12.355 -11.351
36 3HB ALA 7 1HB ALA 7 -30.243 -10.989 -10.236
37 H LYS 8 H LYS 8 -27.756 -13.693 -12.046
38 HA LYS 8 HA LYS 8 -27.926 -15.352 -9.664
39 1HB LYS 8 2HB LYS 8 -27.706 -17.217 -11.171
40 2HB LYS 8 1HB LYS 8 -28.865 -16.077 -11.847
41 1HG LYS 8 2HG LYS 8 -27.602 -15.725 -13.667
42 2HG LYS 8 1HG LYS 8 -26.138 -15.520 -12.708
43 1HD LYS 8 2HD LYS 8 -25.912 -17.965 -12.532
44 2HD LYS 8 1HD LYS 8 -27.379 -18.172 -13.480
45 1HE LYS 8 2HE LYS 8 -24.988 -18.304 -14.605
46 2HE LYS 8 1HE LYS 8 -26.352 -17.585 -15.455
47 1HZ LYS 8 2HZ LYS 8 -24.459 -16.001 -13.812
48 2HZ LYS 8 1HZ LYS 8 -24.228 -16.280 -15.472
49 3HZ LYS 8 3HZ LYS 8 -25.594 -15.429 -14.939
50 H ALA 9 H ALA 9 -25.483 -13.819 -11.568
51 HA ALA 9 HA ALA 9 -23.278 -15.482 -11.044
52 1HB ALA 9 2HB ALA 9 -23.607 -12.586 -11.734
53 2HB ALA 9 1HB ALA 9 -22.015 -13.208 -11.293
54 3HB ALA 9 3HB ALA 9 -22.874 -13.885 -12.678
55 H ALA 10 H ALA 10 -23.984 -12.356 -9.483
56 HA ALA 10 HA ALA 10 -22.191 -12.451 -7.409
57 1HB ALA 10 1HB ALA 10 -24.978 -11.310 -7.531
58 2HB ALA 10 3HB ALA 10 -23.926 -11.088 -6.131
59 3HB ALA 10 2HB ALA 10 -23.438 -10.464 -7.708
60 H PHE 11 H PHE 11 -25.215 -14.196 -7.713
61 HA PHE 11 HA PHE 11 -25.312 -15.044 -4.968
62 1HB PHE 11 2HB PHE 11 -27.316 -14.852 -6.435
63 2HB PHE 11 1HB PHE 11 -26.728 -16.226 -7.360
64 HD1 PHE 11 HD1 PHE 11 -25.880 -16.605 -3.934
65 HD2 PHE 11 HD2 PHE 11 -29.154 -17.016 -6.665
66 HE1 PHE 11 HE1 PHE 11 -27.008 -18.127 -2.364
67 HE2 PHE 11 HE2 PHE 11 -30.267 -18.536 -5.086
68 HZ PHE 11 HZ PHE 11 -29.199 -19.093 -2.939
69 H ASN 12 H ASN 12 -24.380 -16.605 -8.039
70 HA ASN 12 HA ASN 12 -23.653 -19.095 -6.877
71 1HB ASN 12 2HB ASN 12 -24.124 -18.560 -9.339
72 2HB ASN 12 1HB ASN 12 -22.465 -17.963 -9.401
73 1HD2 ASN 12 2HD2 ASN 12 -20.962 -21.144 -9.114
74 2HD2 ASN 12 1HD2 ASN 12 -20.753 -19.444 -8.884
75 H SER 13 H SER 13 -22.042 -16.042 -7.176
76 HA SER 13 HA SER 13 -19.358 -16.756 -7.003
77 1HB SER 13 2HB SER 13 -19.910 -14.429 -5.401
78 2HB SER 13 1HB SER 13 -19.118 -14.535 -6.967
79 HG SER 13 HG SER 13 -20.929 -13.928 -7.884
80 H LEU 14 H LEU 14 -21.825 -16.524 -4.503
81 HA LEU 14 HA LEU 14 -20.246 -16.624 -2.218
82 1HB LEU 14 2HB LEU 14 -22.639 -16.248 -2.115
83 2HB LEU 14 1HB LEU 14 -22.950 -17.872 -2.713
84 HG LEU 14 HG LEU 14 -21.991 -18.832 -0.738
85 1HD1 LEU 14 1HD1 LEU 14 -20.221 -17.162 -0.360
86 2HD1 LEU 14 3HD1 LEU 14 -21.439 -16.032 0.239
87 3HD1 LEU 14 2HD1 LEU 14 -21.119 -17.531 1.113
88 1HD2 LEU 14 3HD2 LEU 14 -24.371 -18.095 -0.660
89 2HD2 LEU 14 2HD2 LEU 14 -23.598 -18.195 0.922
90 3HD2 LEU 14 1HD2 LEU 14 -23.836 -16.624 0.156
91 H GLN 15 H GLN 15 -20.901 -19.070 -4.559
92 HA GLN 15 HA GLN 15 -20.180 -21.310 -2.904
93 1HB GLN 15 2HB GLN 15 -21.661 -21.687 -4.765
94 2HB GLN 15 1HB GLN 15 -20.502 -20.990 -5.889
95 1HG GLN 15 2HG GLN 15 -19.030 -22.831 -5.683
96 2HG GLN 15 1HG GLN 15 -19.859 -23.430 -4.250
97 1HE2 GLN 15 2HD2 GLN 15 -22.716 -24.593 -6.156
98 2HE2 GLN 15 1HD2 GLN 15 -22.359 -23.670 -4.740
99 H ALA 16 H ALA 16 -18.552 -19.115 -5.082
100 HA ALA 16 HA ALA 16 -16.126 -20.587 -5.346
101 1HB ALA 16 2HB ALA 16 -17.209 -18.231 -6.412
102 2HB ALA 16 1HB ALA 16 -15.754 -17.731 -5.547
103 3HB ALA 16 3HB ALA 16 -15.652 -18.961 -6.808
104 H SER 17 H SER 17 -17.447 -18.526 -2.901
105 HA SER 17 HA SER 17 -15.237 -17.506 -1.606
106 1HB SER 17 2HB SER 17 -17.883 -18.505 -0.617
107 2HB SER 17 1HB SER 17 -16.666 -17.930 0.518
108 HG SER 17 HG SER 17 -17.852 -16.500 -1.645
109 H ALA 18 H ALA 18 -16.286 -20.802 -1.828
110 HA ALA 18 HA ALA 18 -15.204 -22.047 0.358
111 1HB ALA 18 3HB ALA 18 -16.406 -23.088 -1.632
112 2HB ALA 18 2HB ALA 18 -14.834 -23.123 -2.433
113 3HB ALA 18 1HB ALA 18 -15.083 -24.026 -0.937
114 H THR 19 H THR 19 -13.510 -20.616 -2.344
115 HA THR 19 HA THR 19 -10.981 -21.762 -2.054
116 HB THR 19 HB THR 19 -11.150 -18.877 -2.698
117 HG1 THR 19 HG1 THR 19 -12.199 -19.278 -4.621
118 1HG2 THR 19 1HG2 THR 19 -9.098 -20.323 -2.963
119 2HG2 THR 19 3HG2 THR 19 -9.959 -21.164 -4.254
120 3HG2 THR 19 2HG2 THR 19 -9.599 -19.443 -4.409
121 H GLU 20 H GLU 20 -12.428 -18.988 -0.396
122 HA GLU 20 HA GLU 20 -10.293 -17.953 0.958
123 1HB GLU 20 2HB GLU 20 -11.869 -17.034 2.428
124 2HB GLU 20 1HB GLU 20 -12.696 -17.177 0.895
125 1HG GLU 20 2HG GLU 20 -13.386 -19.541 1.943
126 2HG GLU 20 1HG GLU 20 -13.164 -18.651 3.448
127 H TYR 21 H TYR 21 -11.991 -20.925 1.546
128 HA TYR 21 HA TYR 21 -10.746 -21.359 4.137
129 1HB TYR 21 2HB TYR 21 -12.700 -22.882 2.448
130 2HB TYR 21 1HB TYR 21 -11.930 -23.633 3.839
131 HD1 TYR 21 HD1 TYR 21 -14.297 -21.077 2.707
132 HD2 TYR 21 HD2 TYR 21 -12.443 -22.903 6.093
133 HE1 TYR 21 HE1 TYR 21 -15.972 -20.040 4.189
134 HE2 TYR 21 HE2 TYR 21 -14.121 -21.864 7.570
135 HH TYR 21 HH TYR 21 -16.123 -19.369 6.614
136 H ILE 22 H ILE 22 -10.505 -22.656 0.840
137 HA ILE 22 HA ILE 22 -8.638 -24.693 1.468
138 HB ILE 22 HB ILE 22 -9.398 -23.265 -1.079
139 1HG1 ILE 22 2HG1 ILE 22 -10.044 -26.064 -0.090
140 2HG1 ILE 22 1HG1 ILE 22 -11.153 -24.673 -0.061
141 1HG2 ILE 22 1HG2 ILE 22 -7.096 -24.110 -1.239
142 2HG2 ILE 22 3HG2 ILE 22 -7.681 -25.731 -0.867
143 3HG2 ILE 22 2HG2 ILE 22 -8.205 -24.921 -2.344
144 1HD1 ILE 22 1HD1 ILE 22 -9.869 -25.601 -2.641
145 2HD1 ILE 22 3HD1 ILE 22 -11.340 -26.365 -2.033
146 3HD1 ILE 22 2HD1 ILE 22 -11.336 -24.643 -2.424
147 H GLY 23 H GLY 23 -8.401 -21.280 0.896
148 1HA GLY 23 2HA GLY 23 -5.645 -21.167 0.179
149 2HA GLY 23 1HA GLY 23 -6.619 -19.826 0.783
150 H TYR 24 H TYR 24 -7.395 -20.903 3.247
151 HA TYR 24 HA TYR 24 -5.034 -20.411 4.805
152 1HB TYR 24 2HB TYR 24 -7.672 -21.359 5.862
153 2HB TYR 24 1HB TYR 24 -6.470 -20.364 6.659
154 HD1 TYR 24 HD1 TYR 24 -6.129 -18.658 3.960
155 HD2 TYR 24 HD2 TYR 24 -9.405 -19.736 6.478
156 HE1 TYR 24 HE1 TYR 24 -7.343 -16.642 3.246
157 HE2 TYR 24 HE2 TYR 24 -10.615 -17.717 5.758
158 HH TYR 24 HH TYR 24 -9.233 -15.152 4.317
159 H ALA 25 H ALA 25 -6.136 -23.167 3.300
160 HA ALA 25 HA ALA 25 -5.945 -25.203 5.186
161 1HB ALA 25 1HB ALA 25 -5.045 -25.246 2.290
162 2HB ALA 25 3HB ALA 25 -5.334 -26.672 3.289
163 3HB ALA 25 2HB ALA 25 -6.675 -25.600 2.872
164 H TRP 26 H TRP 26 -3.372 -23.684 3.263
165 HA TRP 26 HA TRP 26 -1.233 -25.247 4.190
166 1HB TRP 26 2HB TRP 26 -1.579 -22.629 2.838
167 2HB TRP 26 1HB TRP 26 -0.045 -22.911 3.645
168 HD1 TRP 26 1HD TRP 26 -1.624 -23.393 0.374
169 HE1 TRP 26 1HE TRP 26 -0.347 -25.119 -1.008
170 HE3 TRP 26 3HE TRP 26 1.301 -25.479 4.025
171 HZ2 TRP 26 2HZ TRP 26 1.615 -27.092 -0.655
172 HZ3 TRP 26 3HZ TRP 26 2.860 -27.288 3.429
173 HH2 TRP 26 HH2 TRP 26 3.018 -28.090 1.110
174 H ALA 27 H ALA 27 -2.637 -22.212 5.368
175 HA ALA 27 HA ALA 27 -0.763 -21.734 7.432
176 1HB ALA 27 1HB ALA 27 -3.037 -20.458 6.423
177 2HB ALA 27 3HB ALA 27 -3.428 -20.826 8.104
178 3HB ALA 27 2HB ALA 27 -1.987 -19.883 7.720
179 H MET 28 H MET 28 -3.635 -23.744 7.221
180 HA MET 28 HA MET 28 -3.920 -24.254 9.995
181 1HB MET 28 2HB MET 28 -5.657 -24.669 8.204
182 2HB MET 28 1HB MET 28 -4.684 -26.031 7.664
183 1HG MET 28 2HG MET 28 -6.665 -26.514 9.209
184 2HG MET 28 1HG MET 28 -5.132 -27.278 9.571
185 1HE MET 28 3HE MET 28 -5.391 -27.974 11.553
186 2HE MET 28 2HE MET 28 -4.692 -27.016 12.857
187 3HE MET 28 1HE MET 28 -6.436 -27.268 12.794
188 H VAL 29 H VAL 29 -2.058 -25.610 7.373
189 HA VAL 29 HA VAL 29 -1.096 -27.933 8.719
190 HB VAL 29 HB VAL 29 -0.010 -26.366 6.379
191 1HG1 VAL 29 1HG1 VAL 29 0.889 -28.920 7.656
192 2HG1 VAL 29 3HG1 VAL 29 1.097 -28.672 5.921
193 3HG1 VAL 29 2HG1 VAL 29 1.851 -27.562 7.067
194 1HG2 VAL 29 1HG2 VAL 29 -2.307 -27.488 6.236
195 2HG2 VAL 29 3HG2 VAL 29 -1.133 -27.878 4.978
196 3HG2 VAL 29 2HG2 VAL 29 -1.426 -29.016 6.295
197 H VAL 30 H VAL 30 0.061 -24.636 8.271
198 HA VAL 30 HA VAL 30 2.554 -24.969 9.609
199 HB VAL 30 HB VAL 30 0.872 -22.535 9.052
200 1HG1 VAL 30 1HG1 VAL 30 3.492 -22.845 10.414
201 2HG1 VAL 30 3HG1 VAL 30 3.295 -21.486 9.306
202 3HG1 VAL 30 2HG1 VAL 30 2.206 -21.665 10.683
203 1HG2 VAL 30 3HG2 VAL 30 3.083 -23.924 7.590
204 2HG2 VAL 30 2HG2 VAL 30 1.531 -23.347 6.980
205 3HG2 VAL 30 1HG2 VAL 30 2.812 -22.195 7.366
206 H VAL 31 H VAL 31 -0.668 -23.921 10.568
207 HA VAL 31 HA VAL 31 -0.151 -23.142 13.204
208 HB VAL 31 HB VAL 31 -2.410 -23.654 11.529
209 1HG1 VAL 31 1HG1 VAL 31 -2.722 -24.735 14.326
210 2HG1 VAL 31 3HG1 VAL 31 -4.049 -24.406 13.208
211 3HG1 VAL 31 2HG1 VAL 31 -2.857 -25.653 12.824
212 1HG2 VAL 31 2HG2 VAL 31 -1.757 -21.544 12.686
213 2HG2 VAL 31 1HG2 VAL 31 -3.454 -21.984 12.895
214 3HG2 VAL 31 3HG2 VAL 31 -2.302 -22.264 14.203
215 H ILE 32 H ILE 32 -1.125 -26.282 11.903
216 HA ILE 32 HA ILE 32 -1.148 -27.809 14.203
217 HB ILE 32 HB ILE 32 -0.468 -28.402 11.347
218 1HG1 ILE 32 2HG1 ILE 32 -2.816 -29.157 13.081
219 2HG1 ILE 32 1HG1 ILE 32 -2.782 -27.846 11.906
220 1HG2 ILE 32 3HG2 ILE 32 0.774 -30.030 12.734
221 2HG2 ILE 32 2HG2 ILE 32 -0.736 -30.474 13.532
222 3HG2 ILE 32 1HG2 ILE 32 -0.522 -30.792 11.809
223 1HD1 ILE 32 1HD1 ILE 32 -1.998 -30.532 10.921
224 2HD1 ILE 32 3HD1 ILE 32 -3.703 -30.293 11.310
225 3HD1 ILE 32 2HD1 ILE 32 -2.917 -29.257 10.116
226 H VAL 33 H VAL 33 1.609 -27.207 12.012
227 HA VAL 33 HA VAL 33 3.523 -28.638 13.438
228 HB VAL 33 HB VAL 33 3.855 -26.200 11.702
229 1HG1 VAL 33 2HG1 VAL 33 5.738 -27.440 13.313
230 2HG1 VAL 33 1HG1 VAL 33 6.025 -28.118 11.710
231 3HG1 VAL 33 3HG1 VAL 33 6.063 -26.370 11.948
232 1HG2 VAL 33 1HG2 VAL 33 3.160 -28.951 11.122
233 2HG2 VAL 33 3HG2 VAL 33 3.181 -27.547 10.053
234 3HG2 VAL 33 2HG2 VAL 33 4.658 -28.478 10.316
235 H GLY 34 H GLY 34 2.624 -25.209 13.571
236 1HA GLY 34 2HA GLY 34 4.512 -24.346 15.451
237 2HA GLY 34 1HA GLY 34 2.937 -23.598 15.178
238 H ALA 35 H ALA 35 1.196 -25.541 15.932
239 HA ALA 35 HA ALA 35 1.073 -25.302 18.715
240 1HB ALA 35 2HB ALA 35 -0.514 -26.428 16.652
241 2HB ALA 35 1HB ALA 35 -0.312 -27.665 17.894
242 3HB ALA 35 3HB ALA 35 -0.980 -26.088 18.320
243 H THR 36 H THR 36 1.837 -28.209 16.798
244 HA THR 36 HA THR 36 2.477 -29.989 18.779
245 HB THR 36 HB THR 36 3.889 -29.594 16.141
246 HG1 THR 36 HG1 THR 36 2.243 -30.630 15.305
247 1HG2 THR 36 1HG2 THR 36 5.142 -31.023 17.754
248 2HG2 THR 36 3HG2 THR 36 3.736 -32.087 17.839
249 3HG2 THR 36 2HG2 THR 36 4.602 -31.888 16.313
250 H ILE 37 H ILE 37 4.688 -27.635 17.284
251 HA ILE 37 HA ILE 37 6.943 -28.275 18.847
252 HB ILE 37 HB ILE 37 6.172 -25.812 17.346
253 1HG1 ILE 37 2HG1 ILE 37 6.505 -28.152 16.276
254 2HG1 ILE 37 1HG1 ILE 37 7.234 -26.742 15.548
255 1HG2 ILE 37 3HG2 ILE 37 8.558 -26.393 18.990
256 2HG2 ILE 37 2HG2 ILE 37 8.844 -25.665 17.407
257 3HG2 ILE 37 1HG2 ILE 37 7.810 -24.848 18.581
258 1HD1 ILE 37 2HD1 ILE 37 8.877 -28.080 17.571
259 2HD1 ILE 37 1HD1 ILE 37 8.570 -29.026 16.114
260 3HD1 ILE 37 3HD1 ILE 37 9.338 -27.441 15.994
261 H GLY 38 H GLY 38 4.572 -25.634 19.122
262 1HA GLY 38 2HA GLY 38 5.575 -24.328 21.352
263 2HA GLY 38 1HA GLY 38 3.866 -24.388 20.922
264 H ILE 39 H ILE 39 3.207 -27.001 21.285
265 HA ILE 39 HA ILE 39 2.631 -27.263 23.952
266 HB ILE 39 HB ILE 39 3.099 -29.425 21.902
267 1HG1 ILE 39 2HG1 ILE 39 0.544 -28.194 22.947
268 2HG1 ILE 39 1HG1 ILE 39 1.325 -27.750 21.433
269 1HG2 ILE 39 3HG2 ILE 39 1.998 -29.573 24.706
270 2HG2 ILE 39 2HG2 ILE 39 1.533 -30.745 23.471
271 3HG2 ILE 39 1HG2 ILE 39 3.226 -30.593 23.952
272 1HD1 ILE 39 3HD1 ILE 39 1.104 -30.564 21.414
273 2HD1 ILE 39 2HD1 ILE 39 -0.451 -29.945 21.975
274 3HD1 ILE 39 1HD1 ILE 39 0.207 -29.409 20.427
275 H LYS 40 H LYS 40 5.625 -28.003 22.340
276 HA LYS 40 HA LYS 40 6.743 -29.469 24.574
277 1HB LYS 40 2HB LYS 40 7.456 -30.030 22.322
278 2HB LYS 40 1HB LYS 40 7.995 -28.374 22.048
279 1HG LYS 40 2HG LYS 40 9.563 -28.710 24.031
280 2HG LYS 40 1HG LYS 40 9.163 -30.423 23.932
281 1HD LYS 40 2HD LYS 40 10.403 -30.735 22.063
282 2HD LYS 40 1HD LYS 40 9.941 -29.180 21.375
283 1HE LYS 40 2HE LYS 40 11.723 -29.144 23.755
284 2HE LYS 40 1HE LYS 40 12.423 -29.687 22.233
285 1HZ LYS 40 3HZ LYS 40 11.011 -27.456 21.563
286 2HZ LYS 40 2HZ LYS 40 11.691 -27.054 23.067
287 3HZ LYS 40 1HZ LYS 40 12.690 -27.545 21.783
288 H LEU 41 H LEU 41 7.969 -26.582 22.899
289 HA LEU 41 HA LEU 41 9.574 -25.608 24.920
290 1HB LEU 41 2HB LEU 41 9.155 -23.331 23.856
291 2HB LEU 41 1HB LEU 41 9.755 -24.584 22.764
292 HG LEU 41 HG LEU 41 7.017 -24.875 22.620
293 1HD1 LEU 41 1HD1 LEU 41 6.886 -22.691 23.918
294 2HD1 LEU 41 3HD1 LEU 41 7.549 -21.916 22.478
295 3HD1 LEU 41 2HD1 LEU 41 5.999 -22.754 22.394
296 1HD2 LEU 41 3HD2 LEU 41 8.829 -24.829 20.829
297 2HD2 LEU 41 2HD2 LEU 41 7.254 -24.167 20.385
298 3HD2 LEU 41 1HD2 LEU 41 8.586 -23.081 20.786
299 H PHE 42 H PHE 42 6.152 -25.076 24.421
300 HA PHE 42 HA PHE 42 5.685 -23.127 26.378
301 1HB PHE 42 2HB PHE 42 4.089 -23.963 24.603
302 2HB PHE 42 1HB PHE 42 3.781 -25.343 25.645
303 HD1 PHE 42 HD2 PHE 42 3.522 -21.662 25.386
304 HD2 PHE 42 HD1 PHE 42 2.347 -25.161 27.535
305 HE1 PHE 42 HE2 PHE 42 1.844 -20.343 26.620
306 HE2 PHE 42 HE1 PHE 42 0.671 -23.841 28.766
307 HZ PHE 42 HZ PHE 42 0.419 -21.432 28.310
308 H LYS 43 H LYS 43 5.902 -26.627 26.592
309 HA LYS 43 HA LYS 43 5.189 -26.659 29.403
310 1HB LYS 43 2HB LYS 43 4.399 -28.614 28.571
311 2HB LYS 43 1HB LYS 43 5.541 -28.621 27.237
312 1HG LYS 43 2HG LYS 43 7.159 -29.691 28.448
313 2HG LYS 43 1HG LYS 43 6.521 -29.170 30.003
314 1HD LYS 43 2HD LYS 43 5.864 -31.386 29.988
315 2HD LYS 43 1HD LYS 43 4.446 -30.598 29.299
316 1HE LYS 43 2HE LYS 43 5.123 -31.185 27.067
317 2HE LYS 43 1HE LYS 43 6.677 -31.781 27.641
318 1HZ LYS 43 3HZ LYS 43 4.179 -32.957 28.657
319 2HZ LYS 43 2HZ LYS 43 4.789 -33.437 27.146
320 3HZ LYS 43 1HZ LYS 43 5.723 -33.650 28.549
321 H LYS 44 H LYS 44 8.070 -27.235 27.408
322 HA LYS 44 HA LYS 44 9.813 -27.767 29.583
323 1HB LYS 44 2HB LYS 44 10.307 -26.899 26.741
324 2HB LYS 44 1HB LYS 44 11.608 -27.277 27.866
325 1HG LYS 44 2HG LYS 44 9.426 -29.300 27.580
326 2HG LYS 44 1HG LYS 44 10.535 -29.124 26.223
327 1HD LYS 44 2HD LYS 44 11.271 -30.881 27.812
328 2HD LYS 44 1HD LYS 44 12.465 -29.598 27.624
329 1HE LYS 44 2HE LYS 44 10.476 -29.537 29.902
330 2HE LYS 44 1HE LYS 44 11.939 -30.504 30.001
331 1HZ LYS 44 1HZ LYS 44 12.836 -28.109 29.105
332 2HZ LYS 44 3HZ LYS 44 11.623 -27.665 30.204
333 3HZ LYS 44 2HZ LYS 44 12.903 -28.658 30.710
334 H PHE 45 H PHE 45 8.471 -24.862 28.355
335 HA PHE 45 HA PHE 45 10.598 -23.179 29.442
336 1HB PHE 45 2HB PHE 45 9.487 -22.638 27.272
337 2HB PHE 45 1HB PHE 45 7.994 -22.354 28.157
338 HD1 PHE 45 HD2 PHE 45 11.553 -21.424 28.827
339 HD2 PHE 45 HD1 PHE 45 7.547 -20.092 28.187
340 HE1 PHE 45 HE2 PHE 45 12.255 -19.101 29.258
341 HE2 PHE 45 HE1 PHE 45 8.250 -17.770 28.619
342 HZ PHE 45 HZ PHE 45 10.604 -17.274 29.155
343 H THR 46 H THR 46 9.446 -24.695 31.410
344 HA THR 46 HA THR 46 7.773 -22.765 32.875
345 HB THR 46 HB THR 46 7.234 -24.910 34.256
346 HG1 THR 46 HG1 THR 46 7.943 -26.690 33.417
347 1HG2 THR 46 3HG2 THR 46 6.065 -23.740 31.872
348 2HG2 THR 46 2HG2 THR 46 5.661 -25.451 32.030
349 3HG2 THR 46 1HG2 THR 46 5.280 -24.330 33.339
350 H SER 47 H SER 47 10.046 -25.442 33.479
351 HA SER 47 HA SER 47 11.313 -23.788 35.575
352 1HB SER 47 2HB SER 47 9.851 -25.968 36.142
353 2HB SER 47 1HB SER 47 11.407 -26.735 35.845
354 HG SER 47 HG SER 47 11.337 -26.144 38.007
355 H LYS 48 H LYS 48 11.766 -25.208 32.617
356 HA LYS 48 HA LYS 48 13.560 -25.954 31.405
357 1HB LYS 48 2HB LYS 48 14.741 -23.819 33.153
358 2HB LYS 48 1HB LYS 48 15.566 -24.493 31.751
359 1HG LYS 48 2HG LYS 48 12.850 -23.163 31.654
360 2HG LYS 48 1HG LYS 48 14.360 -22.322 31.334
361 1HD LYS 48 2HD LYS 48 13.020 -24.474 29.717
362 2HD LYS 48 1HD LYS 48 13.564 -22.883 29.206
363 1HE LYS 48 2HE LYS 48 15.342 -25.214 29.946
364 2HE LYS 48 1HE LYS 48 15.040 -24.613 28.318
365 1HZ LYS 48 3HZ LYS 48 15.934 -22.421 29.201
366 2HZ LYS 48 2HZ LYS 48 16.528 -23.317 30.517
367 3HZ LYS 48 1HZ LYS 48 17.055 -23.666 28.940
368 H ALA 49 H ALA 49 16.165 -26.340 31.794
369 HA ALA 49 HA ALA 49 16.226 -28.581 33.641
370 1HB ALA 49 2HB ALA 49 17.509 -27.800 31.177
371 2HB ALA 49 1HB ALA 49 18.694 -28.348 32.369
372 3HB ALA 49 3HB ALA 49 17.359 -29.406 31.899
373 H SER 50 H SER 50 16.452 -25.571 34.389
374 HA SER 50 HA SER 50 17.581 -24.299 35.923
375 1HB SER 50 2HB SER 50 18.060 -27.104 36.787
376 2HB SER 50 1HB SER 50 19.025 -25.840 37.541
377 HG SER 50 HG SER 50 17.308 -25.366 38.681
No H/Q in entry = 377
Start of MODEL 2
1 1H ALA 1 1H ALA 1 4.414 3.672 -6.617
2 2H ALA 1 3H ALA 1 3.883 3.113 -5.106
3 3H ALA 1 2H ALA 1 5.153 2.317 -5.906
4 HA ALA 1 HA ALA 1 3.477 0.911 -6.426
5 1HB ALA 1 1HB ALA 1 1.841 2.581 -5.251
6 2HB ALA 1 3HB ALA 1 1.479 3.094 -6.901
7 3HB ALA 1 2HB ALA 1 1.212 1.415 -6.418
8 H GLU 2 H GLU 2 3.639 0.079 -8.394
9 HA GLU 2 HA GLU 2 4.404 1.698 -10.637
10 1HB GLU 2 2HB GLU 2 4.394 -0.432 -11.871
11 2HB GLU 2 1HB GLU 2 5.289 -0.559 -10.359
12 1HG GLU 2 2HG GLU 2 3.964 -2.231 -9.690
13 2HG GLU 2 1HG GLU 2 2.542 -1.203 -9.869
14 H GLY 3 H GLY 3 2.675 3.109 -10.982
15 1HA GLY 3 2HA GLY 3 0.589 3.829 -11.625
16 2HA GLY 3 1HA GLY 3 0.916 2.700 -12.926
17 H ASP 4 H ASP 4 -1.445 2.501 -12.987
18 HA ASP 4 HA ASP 4 -2.579 0.848 -10.824
19 1HB ASP 4 2HB ASP 4 -3.622 2.950 -12.520
20 2HB ASP 4 1HB ASP 4 -4.603 1.489 -12.654
21 H ASP 5 H ASP 5 -1.294 -1.002 -11.713
22 HA ASP 5 HA ASP 5 -2.662 -2.155 -14.048
23 1HB ASP 5 2HB ASP 5 -0.014 -1.555 -13.908
24 2HB ASP 5 1HB ASP 5 -0.022 -3.230 -13.357
25 HA PRO 6 HA PRO 6 -3.050 -4.983 -10.262
26 1HB PRO 6 2HB PRO 6 -5.687 -4.606 -9.748
27 2HB PRO 6 1HB PRO 6 -4.408 -3.657 -8.968
28 1HG PRO 6 2HG PRO 6 -6.169 -2.924 -11.261
29 2HG PRO 6 1HG PRO 6 -5.616 -1.927 -9.905
30 1HD PRO 6 2HD PRO 6 -4.528 -1.813 -12.386
31 2HD PRO 6 1HD PRO 6 -3.618 -1.455 -10.903
32 H ALA 7 H ALA 7 -4.625 -4.235 -13.216
33 HA ALA 7 HA ALA 7 -6.294 -6.510 -13.499
34 1HB ALA 7 3HB ALA 7 -6.166 -4.197 -14.809
35 2HB ALA 7 2HB ALA 7 -5.124 -5.141 -15.877
36 3HB ALA 7 1HB ALA 7 -6.785 -5.660 -15.581
37 H LYS 8 H LYS 8 -2.906 -5.862 -14.130
38 HA LYS 8 HA LYS 8 -2.498 -8.243 -15.712
39 1HB LYS 8 2HB LYS 8 -0.170 -7.648 -15.678
40 2HB LYS 8 1HB LYS 8 -1.111 -6.181 -15.938
41 1HG LYS 8 2HG LYS 8 -0.134 -5.253 -14.161
42 2HG LYS 8 1HG LYS 8 -0.815 -6.513 -13.135
43 1HD LYS 8 2HD LYS 8 1.106 -7.926 -13.480
44 2HD LYS 8 1HD LYS 8 1.754 -6.829 -14.695
45 1HE LYS 8 2HE LYS 8 2.604 -6.816 -12.164
46 2HE LYS 8 1HE LYS 8 2.544 -5.351 -13.138
47 1HZ LYS 8 1HZ LYS 8 0.351 -6.236 -11.345
48 2HZ LYS 8 3HZ LYS 8 1.562 -5.143 -10.885
49 3HZ LYS 8 2HZ LYS 8 0.490 -4.742 -12.140
50 H ALA 9 H ALA 9 -2.459 -7.404 -12.351
51 HA ALA 9 HA ALA 9 -0.858 -9.557 -11.401
52 1HB ALA 9 2HB ALA 9 -1.310 -7.534 -10.072
53 2HB ALA 9 1HB ALA 9 -3.013 -7.988 -9.975
54 3HB ALA 9 3HB ALA 9 -1.787 -8.999 -9.209
55 H ALA 10 H ALA 10 -4.284 -9.161 -12.075
56 HA ALA 10 HA ALA 10 -5.361 -11.374 -10.803
57 1HB ALA 10 2HB ALA 10 -6.714 -9.685 -11.958
58 2HB ALA 10 1HB ALA 10 -6.111 -10.265 -13.513
59 3HB ALA 10 3HB ALA 10 -7.121 -11.311 -12.513
60 H PHE 11 H PHE 11 -3.589 -11.182 -13.836
61 HA PHE 11 HA PHE 11 -4.090 -13.838 -14.702
62 1HB PHE 11 2HB PHE 11 -3.242 -11.908 -16.094
63 2HB PHE 11 1HB PHE 11 -1.671 -12.161 -15.350
64 HD1 PHE 11 HD2 PHE 11 -3.241 -15.298 -15.642
65 HD2 PHE 11 HD1 PHE 11 -1.230 -12.333 -17.991
66 HE1 PHE 11 HE2 PHE 11 -2.717 -16.992 -17.348
67 HE2 PHE 11 HE1 PHE 11 -0.714 -14.038 -19.685
68 HZ PHE 11 HZ PHE 11 -1.456 -16.364 -19.367
69 H ASN 12 H ASN 12 -1.445 -12.364 -12.847
70 HA ASN 12 HA ASN 12 -0.104 -14.923 -12.529
71 1HB ASN 12 2HB ASN 12 0.934 -12.522 -12.734
72 2HB ASN 12 1HB ASN 12 0.648 -12.471 -10.995
73 1HD2 ASN 12 2HD2 ASN 12 2.968 -15.074 -10.246
74 2HD2 ASN 12 1HD2 ASN 12 1.461 -14.382 -9.764
75 H SER 13 H SER 13 -2.783 -13.662 -11.089
76 HA SER 13 HA SER 13 -2.098 -14.609 -8.395
77 1HB SER 13 2HB SER 13 -3.413 -12.373 -9.112
78 2HB SER 13 1HB SER 13 -4.773 -13.475 -8.939
79 HG SER 13 HG SER 13 -4.094 -13.890 -6.815
80 H LEU 14 H LEU 14 -4.175 -15.224 -11.143
81 HA LEU 14 HA LEU 14 -6.031 -16.988 -10.116
82 1HB LEU 14 2HB LEU 14 -5.778 -16.140 -12.510
83 2HB LEU 14 1HB LEU 14 -4.645 -17.462 -12.748
84 HG LEU 14 HG LEU 14 -6.461 -18.990 -11.898
85 1HD1 LEU 14 2HD1 LEU 14 -7.768 -16.934 -10.973
86 2HD1 LEU 14 1HD1 LEU 14 -8.425 -16.856 -12.611
87 3HD1 LEU 14 3HD1 LEU 14 -8.652 -18.310 -11.637
88 1HD2 LEU 14 3HD2 LEU 14 -6.845 -17.493 -14.485
89 2HD2 LEU 14 2HD2 LEU 14 -5.995 -19.020 -14.232
90 3HD2 LEU 14 1HD2 LEU 14 -7.749 -18.946 -14.061
91 H GLN 15 H GLN 15 -2.636 -17.426 -10.576
92 HA GLN 15 HA GLN 15 -2.748 -20.311 -10.180
93 1HB GLN 15 2HB GLN 15 -1.027 -18.756 -11.583
94 2HB GLN 15 1HB GLN 15 -0.149 -18.914 -10.065
95 1HG GLN 15 2HG GLN 15 0.452 -20.683 -11.697
96 2HG GLN 15 1HG GLN 15 -0.241 -21.337 -10.213
97 1HE2 GLN 15 2HD2 GLN 15 -2.884 -21.175 -13.343
98 2HE2 GLN 15 1HD2 GLN 15 -1.951 -19.791 -12.905
99 H ALA 16 H ALA 16 -1.934 -17.395 -8.398
100 HA ALA 16 HA ALA 16 -0.784 -18.721 -6.144
101 1HB ALA 16 2HB ALA 16 -0.338 -16.341 -6.824
102 2HB ALA 16 1HB ALA 16 -1.960 -15.945 -6.250
103 3HB ALA 16 3HB ALA 16 -0.749 -16.555 -5.120
104 H SER 17 H SER 17 -3.932 -17.252 -6.806
105 HA SER 17 HA SER 17 -5.093 -17.696 -4.286
106 1HB SER 17 2HB SER 17 -5.884 -16.513 -6.641
107 2HB SER 17 1HB SER 17 -6.951 -17.910 -6.532
108 HG SER 17 HG SER 17 -7.205 -17.120 -4.222
109 H ALA 18 H ALA 18 -5.004 -19.705 -7.194
110 HA ALA 18 HA ALA 18 -6.762 -21.717 -6.549
111 1HB ALA 18 1HB ALA 18 -4.143 -21.751 -8.022
112 2HB ALA 18 3HB ALA 18 -5.107 -23.216 -7.830
113 3HB ALA 18 2HB ALA 18 -5.781 -21.822 -8.676
114 H THR 19 H THR 19 -3.549 -21.162 -5.254
115 HA THR 19 HA THR 19 -3.060 -23.653 -4.086
116 HB THR 19 HB THR 19 -2.220 -21.253 -2.583
117 HG1 THR 19 HG1 THR 19 -1.543 -20.254 -4.294
118 1HG2 THR 19 1HG2 THR 19 -1.404 -23.657 -2.279
119 2HG2 THR 19 3HG2 THR 19 -0.535 -23.428 -3.799
120 3HG2 THR 19 2HG2 THR 19 -0.170 -22.401 -2.411
121 H GLU 20 H GLU 20 -4.816 -20.851 -2.787
122 HA GLU 20 HA GLU 20 -5.304 -22.048 -0.240
123 1HB GLU 20 2HB GLU 20 -5.975 -19.558 -1.624
124 2HB GLU 20 1HB GLU 20 -7.213 -20.128 -0.531
125 1HG GLU 20 2HG GLU 20 -4.353 -19.950 0.301
126 2HG GLU 20 1HG GLU 20 -5.448 -18.584 0.462
127 H TYR 21 H TYR 21 -6.558 -22.842 -3.226
128 HA TYR 21 HA TYR 21 -9.168 -23.615 -2.095
129 1HB TYR 21 2HB TYR 21 -8.261 -22.807 -4.795
130 2HB TYR 21 1HB TYR 21 -9.490 -24.062 -4.716
131 HD1 TYR 21 HD2 TYR 21 -11.528 -23.556 -3.168
132 HD2 TYR 21 HD1 TYR 21 -8.888 -20.582 -4.715
133 HE1 TYR 21 HE2 TYR 21 -13.250 -21.832 -2.797
134 HE2 TYR 21 HE1 TYR 21 -10.613 -18.860 -4.343
135 HH TYR 21 HH TYR 21 -13.047 -18.710 -4.106
136 H ILE 22 H ILE 22 -6.219 -24.816 -3.509
137 HA ILE 22 HA ILE 22 -7.177 -27.450 -4.056
138 HB ILE 22 HB ILE 22 -4.440 -26.203 -3.810
139 1HG1 ILE 22 2HG1 ILE 22 -5.978 -27.193 -6.235
140 2HG1 ILE 22 1HG1 ILE 22 -5.777 -25.491 -5.755
141 1HG2 ILE 22 2HG2 ILE 22 -4.321 -28.573 -3.198
142 2HG2 ILE 22 1HG2 ILE 22 -5.048 -29.002 -4.747
143 3HG2 ILE 22 3HG2 ILE 22 -3.468 -28.220 -4.699
144 1HD1 ILE 22 3HD1 ILE 22 -3.356 -27.246 -6.181
145 2HD1 ILE 22 2HD1 ILE 22 -4.176 -26.525 -7.567
146 3HD1 ILE 22 1HD1 ILE 22 -3.489 -25.490 -6.313
147 H GLY 23 H GLY 23 -5.905 -25.771 -1.290
148 1HA GLY 23 2HA GLY 23 -6.653 -27.831 0.515
149 2HA GLY 23 1HA GLY 23 -4.908 -27.851 0.265
150 H TYR 24 H TYR 24 -7.617 -25.888 1.373
151 HA TYR 24 HA TYR 24 -5.936 -23.778 2.376
152 1HB TYR 24 2HB TYR 24 -8.114 -23.027 3.436
153 2HB TYR 24 1HB TYR 24 -8.038 -23.047 1.681
154 HD1 TYR 24 HD2 TYR 24 -8.842 -25.412 4.441
155 HD2 TYR 24 HD1 TYR 24 -9.889 -23.866 0.620
156 HE1 TYR 24 HE2 TYR 24 -10.826 -26.881 4.396
157 HE2 TYR 24 HE1 TYR 24 -11.874 -25.328 0.563
158 HH TYR 24 HH TYR 24 -13.027 -26.968 3.293
159 H ALA 25 H ALA 25 -7.038 -26.806 3.529
160 HA ALA 25 HA ALA 25 -6.883 -26.147 6.340
161 1HB ALA 25 2HB ALA 25 -8.385 -27.939 5.472
162 2HB ALA 25 1HB ALA 25 -6.959 -28.863 4.993
163 3HB ALA 25 3HB ALA 25 -7.263 -28.534 6.700
164 H TRP 26 H TRP 26 -4.732 -27.258 3.857
165 HA TRP 26 HA TRP 26 -2.732 -28.418 5.504
166 1HB TRP 26 2HB TRP 26 -3.027 -27.601 2.692
167 2HB TRP 26 1HB TRP 26 -1.388 -27.499 3.320
168 HD1 TRP 26 1HD TRP 26 -3.553 -29.885 1.623
169 HE1 TRP 26 1HE TRP 26 -2.758 -32.282 1.988
170 HE3 TRP 26 3HE TRP 26 -0.301 -29.168 5.520
171 HZ2 TRP 26 2HZ TRP 26 -1.016 -33.712 3.659
172 HZ3 TRP 26 3HZ TRP 26 0.898 -31.105 6.453
173 HH2 TRP 26 HH2 TRP 26 0.546 -33.358 5.533
174 H ALA 27 H ALA 27 -3.280 -25.167 4.227
175 HA ALA 27 HA ALA 27 -0.878 -23.983 5.126
176 1HB ALA 27 2HB ALA 27 -3.579 -22.968 4.337
177 2HB ALA 27 1HB ALA 27 -2.449 -21.868 5.129
178 3HB ALA 27 3HB ALA 27 -2.002 -22.648 3.611
179 H MET 28 H MET 28 -3.951 -24.638 6.703
180 HA MET 28 HA MET 28 -3.477 -23.056 9.015
181 1HB MET 28 2HB MET 28 -5.722 -23.893 8.247
182 2HB MET 28 1HB MET 28 -5.223 -25.515 8.714
183 1HG MET 28 2HG MET 28 -6.662 -24.224 10.369
184 2HG MET 28 1HG MET 28 -5.217 -24.994 10.990
185 1HE MET 28 3HE MET 28 -6.124 -21.667 9.110
186 2HE MET 28 2HE MET 28 -7.183 -21.674 10.519
187 3HE MET 28 1HE MET 28 -5.900 -20.471 10.396
188 H VAL 29 H VAL 29 -2.966 -26.438 8.139
189 HA VAL 29 HA VAL 29 -2.050 -27.406 10.613
190 HB VAL 29 HB VAL 29 -1.327 -28.224 7.799
191 1HG1 VAL 29 3HG1 VAL 29 -0.559 -29.322 10.449
192 2HG1 VAL 29 2HG1 VAL 29 -0.967 -30.473 9.174
193 3HG1 VAL 29 1HG1 VAL 29 0.333 -29.306 8.926
194 1HG2 VAL 29 3HG2 VAL 29 -3.724 -28.472 9.277
195 2HG2 VAL 29 2HG2 VAL 29 -3.335 -29.177 7.707
196 3HG2 VAL 29 1HG2 VAL 29 -3.001 -30.079 9.186
197 H VAL 30 H VAL 30 -0.467 -25.720 7.974
198 HA VAL 30 HA VAL 30 2.203 -25.960 8.886
199 HB VAL 30 HB VAL 30 0.815 -23.941 7.140
200 1HG1 VAL 30 3HG1 VAL 30 3.724 -24.173 7.861
201 2HG1 VAL 30 2HG1 VAL 30 3.178 -23.396 6.373
202 3HG1 VAL 30 1HG1 VAL 30 2.682 -22.750 7.939
203 1HG2 VAL 30 3HG2 VAL 30 1.931 -26.580 6.735
204 2HG2 VAL 30 2HG2 VAL 30 0.926 -25.606 5.660
205 3HG2 VAL 30 1HG2 VAL 30 2.677 -25.389 5.669
206 H VAL 31 H VAL 31 -0.441 -23.808 9.601
207 HA VAL 31 HA VAL 31 1.023 -21.868 11.085
208 HB VAL 31 HB VAL 31 -1.674 -22.351 10.272
209 1HG1 VAL 31 1HG1 VAL 31 -1.433 -21.620 13.187
210 2HG1 VAL 31 3HG1 VAL 31 -2.909 -21.520 12.224
211 3HG1 VAL 31 2HG1 VAL 31 -2.160 -23.090 12.536
212 1HG2 VAL 31 3HG2 VAL 31 0.067 -20.118 11.016
213 2HG2 VAL 31 2HG2 VAL 31 -1.104 -20.260 9.703
214 3HG2 VAL 31 1HG2 VAL 31 -1.645 -19.829 11.327
215 H ILE 32 H ILE 32 -0.939 -24.663 11.972
216 HA ILE 32 HA ILE 32 -0.660 -24.624 14.728
217 HB ILE 32 HB ILE 32 -0.958 -26.849 12.740
218 1HG1 ILE 32 2HG1 ILE 32 -2.877 -25.573 14.685
219 2HG1 ILE 32 1HG1 ILE 32 -2.831 -25.320 12.943
220 1HG2 ILE 32 1HG2 ILE 32 -1.065 -27.080 15.753
221 2HG2 ILE 32 3HG2 ILE 32 -1.577 -28.334 14.621
222 3HG2 ILE 32 2HG2 ILE 32 0.116 -27.841 14.685
223 1HD1 ILE 32 2HD1 ILE 32 -2.984 -28.145 13.661
224 2HD1 ILE 32 1HD1 ILE 32 -4.358 -27.212 14.254
225 3HD1 ILE 32 3HD1 ILE 32 -3.970 -27.215 12.531
226 H VAL 33 H VAL 33 1.529 -25.908 12.251
227 HA VAL 33 HA VAL 33 3.320 -27.309 13.790
228 HB VAL 33 HB VAL 33 3.833 -25.556 11.394
229 1HG1 VAL 33 3HG1 VAL 33 5.904 -26.021 12.617
230 2HG1 VAL 33 2HG1 VAL 33 5.549 -27.748 12.555
231 3HG1 VAL 33 1HG1 VAL 33 5.866 -26.857 11.065
232 1HG2 VAL 33 2HG2 VAL 33 2.322 -27.861 11.608
233 2HG2 VAL 33 1HG2 VAL 33 3.021 -27.212 10.124
234 3HG2 VAL 33 3HG2 VAL 33 3.888 -28.445 11.040
235 H GLY 34 H GLY 34 3.248 -23.823 13.128
236 1HA GLY 34 2HA GLY 34 5.598 -23.131 14.533
237 2HA GLY 34 1HA GLY 34 4.258 -22.039 14.172
238 H ALA 35 H ALA 35 2.296 -23.698 15.550
239 HA ALA 35 HA ALA 35 2.614 -22.627 18.197
240 1HB ALA 35 2HB ALA 35 0.521 -24.271 16.806
241 2HB ALA 35 1HB ALA 35 0.457 -24.024 18.552
242 3HB ALA 35 3HB ALA 35 0.396 -22.637 17.464
243 H THR 36 H THR 36 2.784 -25.819 16.705
244 HA THR 36 HA THR 36 2.894 -27.468 18.920
245 HB THR 36 HB THR 36 4.594 -27.724 16.442
246 HG1 THR 36 HG1 THR 36 2.843 -28.397 15.429
247 1HG2 THR 36 1HG2 THR 36 5.097 -29.260 18.364
248 2HG2 THR 36 3HG2 THR 36 3.454 -29.886 18.211
249 3HG2 THR 36 2HG2 THR 36 4.598 -30.076 16.880
250 H ILE 37 H ILE 37 5.504 -25.593 17.426
251 HA ILE 37 HA ILE 37 7.689 -26.467 18.836
252 HB ILE 37 HB ILE 37 7.033 -23.643 18.073
253 1HG1 ILE 37 2HG1 ILE 37 7.494 -26.052 16.545
254 2HG1 ILE 37 1HG1 ILE 37 7.003 -24.463 16.002
255 1HG2 ILE 37 2HG2 ILE 37 8.977 -24.070 19.679
256 2HG2 ILE 37 1HG2 ILE 37 9.769 -24.878 18.324
257 3HG2 ILE 37 3HG2 ILE 37 9.340 -23.171 18.205
258 1HD1 ILE 37 3HD1 ILE 37 9.399 -23.776 16.014
259 2HD1 ILE 37 2HD1 ILE 37 9.821 -25.436 16.436
260 3HD1 ILE 37 1HD1 ILE 37 9.051 -25.088 14.887
261 H GLY 38 H GLY 38 5.446 -23.868 19.776
262 1HA GLY 38 2HA GLY 38 6.650 -23.402 22.326
263 2HA GLY 38 1HA GLY 38 5.071 -22.817 21.794
264 H ILE 39 H ILE 39 3.685 -25.099 21.298
265 HA ILE 39 HA ILE 39 2.756 -25.921 23.780
266 HB ILE 39 HB ILE 39 2.683 -27.410 21.154
267 1HG1 ILE 39 2HG1 ILE 39 0.744 -25.490 22.459
268 2HG1 ILE 39 1HG1 ILE 39 1.675 -25.217 20.989
269 1HG2 ILE 39 1HG2 ILE 39 1.022 -27.784 23.661
270 2HG2 ILE 39 3HG2 ILE 39 0.721 -28.579 22.115
271 3HG2 ILE 39 2HG2 ILE 39 2.202 -28.924 23.013
272 1HD1 ILE 39 3HD1 ILE 39 -0.448 -27.345 21.353
273 2HD1 ILE 39 2HD1 ILE 39 -0.660 -25.823 20.485
274 3HD1 ILE 39 1HD1 ILE 39 0.464 -27.037 19.874
275 H LYS 40 H LYS 40 5.441 -27.074 21.896
276 HA LYS 40 HA LYS 40 5.860 -29.503 23.377
277 1HB LYS 40 2HB LYS 40 6.695 -29.352 21.117
278 2HB LYS 40 1HB LYS 40 7.634 -27.916 21.515
279 1HG LYS 40 2HG LYS 40 8.275 -30.119 23.289
280 2HG LYS 40 1HG LYS 40 8.510 -30.567 21.601
281 1HD LYS 40 2HD LYS 40 9.546 -27.944 21.940
282 2HD LYS 40 1HD LYS 40 10.166 -28.932 23.262
283 1HE LYS 40 2HE LYS 40 11.677 -29.031 21.348
284 2HE LYS 40 1HE LYS 40 10.945 -30.608 21.633
285 1HZ LYS 40 2HZ LYS 40 9.278 -29.219 19.893
286 2HZ LYS 40 1HZ LYS 40 10.863 -29.025 19.312
287 3HZ LYS 40 3HZ LYS 40 10.235 -30.582 19.556
288 H LEU 41 H LEU 41 7.982 -26.665 23.066
289 HA LEU 41 HA LEU 41 9.534 -27.070 25.312
290 1HB LEU 41 2HB LEU 41 9.866 -24.573 25.300
291 2HB LEU 41 1HB LEU 41 10.158 -25.347 23.742
292 HG LEU 41 HG LEU 41 7.585 -24.766 23.418
293 1HD1 LEU 41 2HD1 LEU 41 7.894 -23.642 25.861
294 2HD1 LEU 41 1HD1 LEU 41 8.268 -22.264 24.823
295 3HD1 LEU 41 3HD1 LEU 41 6.718 -23.093 24.666
296 1HD2 LEU 41 3HD2 LEU 41 10.101 -23.396 22.819
297 2HD2 LEU 41 2HD2 LEU 41 8.750 -23.802 21.758
298 3HD2 LEU 41 1HD2 LEU 41 8.686 -22.343 22.751
299 H PHE 42 H PHE 42 6.445 -25.458 25.050
300 HA PHE 42 HA PHE 42 6.174 -24.441 27.638
301 1HB PHE 42 2HB PHE 42 4.652 -24.062 25.664
302 2HB PHE 42 1HB PHE 42 3.950 -25.636 25.992
303 HD1 PHE 42 HD2 PHE 42 2.653 -26.021 28.042
304 HD2 PHE 42 HD1 PHE 42 4.188 -22.161 27.055
305 HE1 PHE 42 HE2 PHE 42 1.134 -24.996 29.691
306 HE2 PHE 42 HE1 PHE 42 2.669 -21.137 28.704
307 HZ PHE 42 HZ PHE 42 1.142 -22.553 30.021
308 H LYS 43 H LYS 43 5.721 -27.664 26.369
309 HA LYS 43 HA LYS 43 4.490 -28.738 28.727
310 1HB LYS 43 2HB LYS 43 3.881 -30.116 27.041
311 2HB LYS 43 1HB LYS 43 5.274 -29.690 26.062
312 1HG LYS 43 2HG LYS 43 6.583 -31.323 26.969
313 2HG LYS 43 1HG LYS 43 5.661 -31.417 28.464
314 1HD LYS 43 2HD LYS 43 5.039 -33.374 27.360
315 2HD LYS 43 1HD LYS 43 3.735 -32.254 26.968
316 1HE LYS 43 2HE LYS 43 4.288 -33.292 24.915
317 2HE LYS 43 1HE LYS 43 5.054 -31.708 24.847
318 1HZ LYS 43 3HZ LYS 43 6.628 -33.904 25.945
319 2HZ LYS 43 2HZ LYS 43 6.333 -33.929 24.272
320 3HZ LYS 43 1HZ LYS 43 7.112 -32.596 24.981
321 H LYS 44 H LYS 44 7.735 -28.218 27.610
322 HA LYS 44 HA LYS 44 8.873 -29.917 29.696
323 1HB LYS 44 2HB LYS 44 10.102 -28.284 27.479
324 2HB LYS 44 1HB LYS 44 11.054 -29.131 28.697
325 1HG LYS 44 2HG LYS 44 8.958 -30.669 27.197
326 2HG LYS 44 1HG LYS 44 10.482 -30.297 26.383
327 1HD LYS 44 2HD LYS 44 11.089 -32.281 27.337
328 2HD LYS 44 1HD LYS 44 11.521 -31.214 28.682
329 1HE LYS 44 2HE LYS 44 10.151 -33.286 29.295
330 2HE LYS 44 1HE LYS 44 9.462 -31.755 29.839
331 1HZ LYS 44 3HZ LYS 44 8.617 -32.594 27.207
332 2HZ LYS 44 2HZ LYS 44 8.134 -33.631 28.464
333 3HZ LYS 44 1HZ LYS 44 7.706 -31.987 28.503
334 H PHE 45 H PHE 45 8.166 -26.601 29.032
335 HA PHE 45 HA PHE 45 9.953 -25.425 30.926
336 1HB PHE 45 2HB PHE 45 8.884 -24.237 28.992
337 2HB PHE 45 1HB PHE 45 7.360 -24.302 29.866
338 HD1 PHE 45 HD1 PHE 45 7.051 -23.005 31.926
339 HD2 PHE 45 HD2 PHE 45 10.632 -22.721 29.619
340 HE1 PHE 45 HE1 PHE 45 7.650 -20.928 33.110
341 HE2 PHE 45 HE2 PHE 45 11.231 -20.644 30.803
342 HZ PHE 45 HZ PHE 45 9.739 -19.748 32.549
343 H THR 46 H THR 46 6.470 -26.159 30.984
344 HA THR 46 HA THR 46 6.406 -25.683 33.867
345 HB THR 46 HB THR 46 3.909 -26.086 33.488
346 HG1 THR 46 HG1 THR 46 3.949 -27.051 31.488
347 1HG2 THR 46 2HG2 THR 46 5.357 -23.830 33.480
348 2HG2 THR 46 1HG2 THR 46 4.704 -23.755 31.842
349 3HG2 THR 46 3HG2 THR 46 3.611 -23.847 33.225
350 H SER 47 H SER 47 7.827 -27.957 32.890
351 HA SER 47 HA SER 47 6.271 -30.333 33.051
352 1HB SER 47 2HB SER 47 8.372 -31.491 33.116
353 2HB SER 47 1HB SER 47 8.527 -30.148 31.991
354 HG SER 47 HG SER 47 10.070 -30.654 34.041
355 H LYS 48 H LYS 48 5.299 -31.109 34.787
356 HA LYS 48 HA LYS 48 4.637 -31.314 36.992
357 1HB LYS 48 2HB LYS 48 7.528 -32.125 36.953
358 2HB LYS 48 1HB LYS 48 6.463 -32.429 38.323
359 1HG LYS 48 2HG LYS 48 5.952 -33.390 35.501
360 2HG LYS 48 1HG LYS 48 6.706 -34.370 36.749
361 1HD LYS 48 2HD LYS 48 3.862 -33.471 36.484
362 2HD LYS 48 1HD LYS 48 4.498 -35.060 36.882
363 1HE LYS 48 2HE LYS 48 5.300 -33.934 39.088
364 2HE LYS 48 1HE LYS 48 4.146 -32.670 38.672
365 1HZ LYS 48 1HZ LYS 48 2.442 -34.444 38.503
366 2HZ LYS 48 3HZ LYS 48 3.578 -35.548 39.110
367 3HZ LYS 48 2HZ LYS 48 3.071 -34.239 40.067
368 H ALA 49 H ALA 49 4.153 -29.218 37.669
369 HA ALA 49 HA ALA 49 5.949 -27.221 38.400
370 1HB ALA 49 2HB ALA 49 3.162 -27.676 38.506
371 2HB ALA 49 1HB ALA 49 3.662 -27.161 40.120
372 3HB ALA 49 3HB ALA 49 4.020 -26.146 38.720
373 H SER 50 H SER 50 7.591 -27.506 39.770
374 HA SER 50 HA SER 50 7.189 -27.904 42.536
375 1HB SER 50 2HB SER 50 6.836 -30.255 41.658
376 2HB SER 50 1HB SER 50 8.533 -30.244 41.189
377 HG SER 50 HG SER 50 8.136 -31.135 43.318
No H/Q in entry = 377
Start of MODEL 3
1 1H ALA 1 3H ALA 1 12.548 -0.775 -26.560
2 2H ALA 1 2H ALA 1 12.156 -1.824 -27.837
3 3H ALA 1 1H ALA 1 10.939 -0.913 -27.077
4 HA ALA 1 HA ALA 1 10.824 -3.173 -26.330
5 1HB ALA 1 3HB ALA 1 13.388 -3.442 -26.737
6 2HB ALA 1 2HB ALA 1 13.527 -2.887 -25.067
7 3HB ALA 1 1HB ALA 1 12.616 -4.353 -25.438
8 H GLU 2 H GLU 2 9.269 -1.995 -25.176
9 HA GLU 2 HA GLU 2 9.875 -0.323 -22.961
10 1HB GLU 2 2HB GLU 2 7.768 -0.046 -24.047
11 2HB GLU 2 1HB GLU 2 7.362 -1.746 -23.846
12 1HG GLU 2 2HG GLU 2 6.184 -0.133 -22.277
13 2HG GLU 2 1HG GLU 2 7.014 -1.480 -21.497
14 H GLY 3 H GLY 3 11.425 -1.672 -21.835
15 1HA GLY 3 2HA GLY 3 11.128 -4.163 -20.810
16 2HA GLY 3 1HA GLY 3 12.000 -2.882 -19.983
17 H ASP 4 H ASP 4 10.913 -4.571 -18.303
18 HA ASP 4 HA ASP 4 8.397 -3.305 -17.399
19 1HB ASP 4 2HB ASP 4 9.170 -6.119 -17.666
20 2HB ASP 4 1HB ASP 4 8.496 -5.712 -16.086
21 H ASP 5 H ASP 5 10.424 -5.594 -15.672
22 HA ASP 5 HA ASP 5 11.938 -3.886 -14.110
23 1HB ASP 5 2HB ASP 5 9.709 -3.095 -13.349
24 2HB ASP 5 1HB ASP 5 9.338 -4.744 -12.851
25 HA PRO 6 HA PRO 6 13.527 -7.980 -13.405
26 1HB PRO 6 2HB PRO 6 15.163 -7.390 -11.295
27 2HB PRO 6 1HB PRO 6 15.566 -7.067 -12.991
28 1HG PRO 6 2HG PRO 6 14.451 -5.204 -10.931
29 2HG PRO 6 1HG PRO 6 15.744 -4.923 -12.115
30 1HD PRO 6 2HD PRO 6 13.262 -4.008 -12.561
31 2HD PRO 6 1HD PRO 6 14.239 -4.664 -13.891
32 H ALA 7 H ALA 7 11.678 -6.161 -11.177
33 HA ALA 7 HA ALA 7 11.526 -7.990 -9.008
34 1HB ALA 7 3HB ALA 7 9.570 -5.896 -9.978
35 2HB ALA 7 2HB ALA 7 9.511 -6.700 -8.406
36 3HB ALA 7 1HB ALA 7 10.864 -5.639 -8.804
37 H LYS 8 H LYS 8 10.357 -8.086 -12.199
38 HA LYS 8 HA LYS 8 7.900 -9.163 -12.283
39 1HB LYS 8 2HB LYS 8 8.557 -10.367 -14.257
40 2HB LYS 8 1HB LYS 8 9.430 -8.837 -14.210
41 1HG LYS 8 2HG LYS 8 11.278 -10.061 -14.545
42 2HG LYS 8 1HG LYS 8 11.121 -10.541 -12.860
43 1HD LYS 8 2HD LYS 8 10.565 -12.652 -13.399
44 2HD LYS 8 1HD LYS 8 9.409 -12.118 -14.612
45 1HE LYS 8 2HE LYS 8 11.600 -13.495 -15.250
46 2HE LYS 8 1HE LYS 8 10.922 -12.278 -16.324
47 1HZ LYS 8 2HZ LYS 8 12.929 -11.510 -14.310
48 2HZ LYS 8 1HZ LYS 8 13.425 -12.242 -15.761
49 3HZ LYS 8 3HZ LYS 8 12.568 -10.780 -15.801
50 H ALA 9 H ALA 9 10.735 -10.752 -10.973
51 HA ALA 9 HA ALA 9 9.594 -13.371 -10.826
52 1HB ALA 9 3HB ALA 9 11.967 -12.044 -9.537
53 2HB ALA 9 2HB ALA 9 11.492 -13.694 -9.129
54 3HB ALA 9 1HB ALA 9 11.948 -13.290 -10.786
55 H ALA 10 H ALA 10 10.479 -11.151 -8.177
56 HA ALA 10 HA ALA 10 9.059 -12.388 -6.142
57 1HB ALA 10 3HB ALA 10 10.695 -10.512 -5.876
58 2HB ALA 10 2HB ALA 10 9.444 -9.404 -6.442
59 3HB ALA 10 1HB ALA 10 9.213 -10.302 -4.941
60 H PHE 11 H PHE 11 7.947 -10.006 -8.514
61 HA PHE 11 HA PHE 11 5.422 -9.451 -7.461
62 1HB PHE 11 2HB PHE 11 6.560 -8.364 -9.452
63 2HB PHE 11 1HB PHE 11 6.023 -9.742 -10.401
64 HD1 PHE 11 HD1 PHE 11 3.578 -9.157 -7.949
65 HD2 PHE 11 HD2 PHE 11 5.041 -7.566 -11.648
66 HE1 PHE 11 HE1 PHE 11 1.419 -8.041 -8.332
67 HE2 PHE 11 HE2 PHE 11 2.877 -6.459 -12.015
68 HZ PHE 11 HZ PHE 11 1.067 -6.693 -10.362
69 H ASN 12 H ASN 12 6.482 -12.070 -9.602
70 HA ASN 12 HA ASN 12 3.881 -13.278 -9.791
71 1HB ASN 12 2HB ASN 12 5.739 -13.485 -11.491
72 2HB ASN 12 1HB ASN 12 6.548 -14.568 -10.359
73 1HD2 ASN 12 2HD2 ASN 12 4.679 -17.333 -11.270
74 2HD2 ASN 12 1HD2 ASN 12 6.071 -16.657 -10.501
75 H SER 13 H SER 13 6.104 -13.121 -7.292
76 HA SER 13 HA SER 13 5.538 -15.792 -6.246
77 1HB SER 13 2HB SER 13 7.145 -13.864 -4.687
78 2HB SER 13 1HB SER 13 7.426 -15.568 -5.000
79 HG SER 13 HG SER 13 8.131 -15.003 -7.093
80 H LEU 14 H LEU 14 4.924 -12.385 -5.604
81 HA LEU 14 HA LEU 14 3.877 -12.503 -3.041
82 1HB LEU 14 2HB LEU 14 4.266 -10.443 -4.461
83 2HB LEU 14 1HB LEU 14 2.731 -10.794 -5.244
84 HG LEU 14 HG LEU 14 1.558 -10.575 -3.181
85 1HD1 LEU 14 1HD1 LEU 14 4.194 -10.903 -1.984
86 2HD1 LEU 14 3HD1 LEU 14 3.259 -9.597 -1.256
87 3HD1 LEU 14 2HD1 LEU 14 2.596 -11.232 -1.313
88 1HD2 LEU 14 3HD2 LEU 14 2.199 -8.487 -4.440
89 2HD2 LEU 14 2HD2 LEU 14 1.777 -8.256 -2.743
90 3HD2 LEU 14 1HD2 LEU 14 3.470 -8.253 -3.237
91 H GLN 15 H GLN 15 2.568 -13.698 -5.996
92 HA GLN 15 HA GLN 15 -0.171 -13.839 -5.212
93 1HB GLN 15 2HB GLN 15 0.674 -13.947 -7.570
94 2HB GLN 15 1HB GLN 15 1.277 -15.565 -7.224
95 1HG GLN 15 2HG GLN 15 -0.759 -16.180 -8.029
96 2HG GLN 15 1HG GLN 15 -1.270 -15.840 -6.375
97 1HE2 GLN 15 2HD2 GLN 15 -2.826 -12.730 -7.199
98 2HE2 GLN 15 1HD2 GLN 15 -1.936 -13.548 -5.963
99 H ALA 16 H ALA 16 2.641 -15.812 -4.703
100 HA ALA 16 HA ALA 16 1.281 -18.199 -3.910
101 1HB ALA 16 1HB ALA 16 3.981 -17.335 -4.294
102 2HB ALA 16 3HB ALA 16 3.841 -18.070 -2.695
103 3HB ALA 16 2HB ALA 16 3.363 -18.981 -4.129
104 H SER 17 H SER 17 2.086 -15.219 -2.353
105 HA SER 17 HA SER 17 1.836 -16.278 0.338
106 1HB SER 17 2HB SER 17 2.527 -13.665 -0.887
107 2HB SER 17 1HB SER 17 1.830 -13.639 0.729
108 HG SER 17 HG SER 17 3.498 -15.099 1.364
109 H ALA 18 H ALA 18 -0.200 -14.871 -2.071
110 HA ALA 18 HA ALA 18 -2.231 -13.878 -0.313
111 1HB ALA 18 2HB ALA 18 -1.907 -13.057 -2.629
112 2HB ALA 18 1HB ALA 18 -2.442 -14.628 -3.233
113 3HB ALA 18 3HB ALA 18 -3.558 -13.605 -2.325
114 H THR 19 H THR 19 -1.859 -16.840 -2.242
115 HA THR 19 HA THR 19 -4.298 -18.045 -1.832
116 HB THR 19 HB THR 19 -1.891 -19.751 -1.560
117 HG1 THR 19 HG1 THR 19 -1.141 -19.263 -3.531
118 1HG2 THR 19 3HG2 THR 19 -4.317 -20.509 -1.938
119 2HG2 THR 19 2HG2 THR 19 -4.099 -19.925 -3.590
120 3HG2 THR 19 1HG2 THR 19 -3.067 -21.214 -2.966
121 H GLU 20 H GLU 20 -1.628 -17.734 0.427
122 HA GLU 20 HA GLU 20 -2.360 -19.605 2.350
123 1HB GLU 20 2HB GLU 20 -0.776 -17.103 2.284
124 2HB GLU 20 1HB GLU 20 -1.289 -17.678 3.857
125 1HG GLU 20 2HG GLU 20 -0.239 -19.841 3.454
126 2HG GLU 20 1HG GLU 20 0.206 -19.337 1.823
127 H TYR 21 H TYR 21 -3.784 -16.548 1.538
128 HA TYR 21 HA TYR 21 -5.304 -16.398 4.027
129 1HB TYR 21 2HB TYR 21 -4.835 -14.611 1.691
130 2HB TYR 21 1HB TYR 21 -6.314 -14.394 2.618
131 HD1 TYR 21 HD1 TYR 21 -2.616 -14.469 2.866
132 HD2 TYR 21 HD2 TYR 21 -6.286 -13.312 4.713
133 HE1 TYR 21 HE1 TYR 21 -1.364 -13.176 4.550
134 HE2 TYR 21 HE2 TYR 21 -5.030 -12.020 6.396
135 HH TYR 21 HH TYR 21 -2.967 -11.075 6.829
136 H ILE 22 H ILE 22 -5.849 -16.887 0.555
137 HA ILE 22 HA ILE 22 -8.673 -17.188 0.775
138 HB ILE 22 HB ILE 22 -6.644 -17.891 -1.347
139 1HG1 ILE 22 2HG1 ILE 22 -8.683 -15.644 -1.225
140 2HG1 ILE 22 1HG1 ILE 22 -6.945 -15.477 -0.882
141 1HG2 ILE 22 3HG2 ILE 22 -8.613 -19.344 -1.539
142 2HG2 ILE 22 2HG2 ILE 22 -9.642 -17.915 -1.655
143 3HG2 ILE 22 1HG2 ILE 22 -8.442 -18.243 -2.904
144 1HD1 ILE 22 2HD1 ILE 22 -7.991 -16.550 -3.523
145 2HD1 ILE 22 1HD1 ILE 22 -7.725 -14.827 -3.245
146 3HD1 ILE 22 3HD1 ILE 22 -6.368 -15.954 -3.158
147 H GLY 23 H GLY 23 -6.043 -19.208 1.553
148 1HA GLY 23 2HA GLY 23 -7.851 -21.504 1.833
149 2HA GLY 23 1HA GLY 23 -6.301 -21.724 1.020
150 H TYR 24 H TYR 24 -7.799 -20.736 4.055
151 HA TYR 24 HA TYR 24 -5.477 -20.529 5.621
152 1HB TYR 24 2HB TYR 24 -7.979 -21.572 6.858
153 2HB TYR 24 1HB TYR 24 -6.848 -20.369 7.452
154 HD1 TYR 24 HD2 TYR 24 -6.927 -18.048 6.564
155 HD2 TYR 24 HD1 TYR 24 -9.855 -20.977 5.529
156 HE1 TYR 24 HE2 TYR 24 -8.439 -16.268 5.786
157 HE2 TYR 24 HE1 TYR 24 -11.361 -19.193 4.749
158 HH TYR 24 HH TYR 24 -10.468 -16.219 3.999
159 H ALA 25 H ALA 25 -6.975 -23.297 4.265
160 HA ALA 25 HA ALA 25 -6.496 -25.315 6.097
161 1HB ALA 25 3HB ALA 25 -6.152 -25.393 3.086
162 2HB ALA 25 2HB ALA 25 -6.247 -26.816 4.124
163 3HB ALA 25 1HB ALA 25 -7.637 -25.736 3.977
164 H TRP 26 H TRP 26 -4.264 -24.235 3.532
165 HA TRP 26 HA TRP 26 -2.067 -25.789 4.231
166 1HB TRP 26 2HB TRP 26 -2.577 -23.382 2.633
167 2HB TRP 26 1HB TRP 26 -0.955 -23.464 3.304
168 HD1 TRP 26 1HD TRP 26 -2.583 -24.310 0.226
169 HE1 TRP 26 1HE TRP 26 -1.438 -26.257 -0.964
170 HE3 TRP 26 3HE TRP 26 0.253 -26.167 4.067
171 HZ2 TRP 26 2HZ TRP 26 0.395 -28.301 -0.408
172 HZ3 TRP 26 3HZ TRP 26 1.685 -28.129 3.663
173 HH2 TRP 26 HH2 TRP 26 1.757 -29.188 1.445
174 H ALA 27 H ALA 27 -3.125 -22.648 5.447
175 HA ALA 27 HA ALA 27 -0.823 -22.161 7.068
176 1HB ALA 27 2HB ALA 27 -2.785 -20.573 6.228
177 2HB ALA 27 1HB ALA 27 -3.476 -21.010 7.793
178 3HB ALA 27 3HB ALA 27 -1.893 -20.235 7.713
179 H MET 28 H MET 28 -3.989 -23.652 7.640
180 HA MET 28 HA MET 28 -3.776 -23.943 10.421
181 1HB MET 28 2HB MET 28 -5.847 -24.264 9.002
182 2HB MET 28 1HB MET 28 -5.167 -25.801 8.477
183 1HG MET 28 2HG MET 28 -6.880 -25.840 10.374
184 2HG MET 28 1HG MET 28 -5.414 -26.775 10.569
185 1HE MET 28 1HE MET 28 -7.854 -24.558 12.045
186 2HE MET 28 3HE MET 28 -7.399 -25.887 13.120
187 3HE MET 28 2HE MET 28 -7.156 -24.217 13.629
188 H VAL 29 H VAL 29 -2.682 -25.862 7.696
189 HA VAL 29 HA VAL 29 -1.788 -28.142 9.124
190 HB VAL 29 HB VAL 29 -0.915 -26.967 6.485
191 1HG1 VAL 29 2HG1 VAL 29 0.146 -29.191 8.015
192 2HG1 VAL 29 1HG1 VAL 29 -0.443 -29.699 6.429
193 3HG1 VAL 29 3HG1 VAL 29 0.772 -28.425 6.552
194 1HG2 VAL 29 3HG2 VAL 29 -3.315 -27.684 6.741
195 2HG2 VAL 29 2HG2 VAL 29 -2.416 -28.512 5.467
196 3HG2 VAL 29 1HG2 VAL 29 -2.721 -29.324 7.005
197 H VAL 30 H VAL 30 -0.159 -25.207 7.989
198 HA VAL 30 HA VAL 30 2.393 -25.822 9.069
199 HB VAL 30 HB VAL 30 1.079 -23.218 8.325
200 1HG1 VAL 30 2HG1 VAL 30 3.499 -23.651 9.796
201 2HG1 VAL 30 1HG1 VAL 30 3.876 -22.947 8.222
202 3HG1 VAL 30 3HG1 VAL 30 2.749 -22.131 9.306
203 1HG2 VAL 30 2HG2 VAL 30 1.671 -25.097 6.611
204 2HG2 VAL 30 1HG2 VAL 30 2.063 -23.415 6.248
205 3HG2 VAL 30 3HG2 VAL 30 3.320 -24.508 6.831
206 H VAL 31 H VAL 31 -0.454 -24.155 10.260
207 HA VAL 31 HA VAL 31 0.553 -23.093 12.640
208 HB VAL 31 HB VAL 31 -1.991 -23.522 11.396
209 1HG1 VAL 31 2HG1 VAL 31 -1.931 -24.146 14.343
210 2HG1 VAL 31 1HG1 VAL 31 -3.389 -23.694 13.456
211 3HG1 VAL 31 3HG1 VAL 31 -2.525 -25.179 13.041
212 1HG2 VAL 31 2HG2 VAL 31 -0.703 -21.637 13.273
213 2HG2 VAL 31 1HG2 VAL 31 -1.597 -21.328 11.783
214 3HG2 VAL 31 3HG2 VAL 31 -2.469 -21.667 13.278
215 H ILE 32 H ILE 32 -1.076 -26.194 12.078
216 HA ILE 32 HA ILE 32 -0.917 -27.349 14.562
217 HB ILE 32 HB ILE 32 -0.724 -28.462 11.790
218 1HG1 ILE 32 2HG1 ILE 32 -2.881 -28.659 13.884
219 2HG1 ILE 32 1HG1 ILE 32 -2.847 -27.481 12.578
220 1HG2 ILE 32 3HG2 ILE 32 0.491 -30.028 13.253
221 2HG2 ILE 32 2HG2 ILE 32 -0.912 -30.105 14.322
222 3HG2 ILE 32 1HG2 ILE 32 -1.024 -30.721 12.671
223 1HD1 ILE 32 2HD1 ILE 32 -2.525 -30.302 11.762
224 2HD1 ILE 32 1HD1 ILE 32 -4.110 -29.861 12.398
225 3HD1 ILE 32 3HD1 ILE 32 -3.450 -29.003 11.003
226 H VAL 33 H VAL 33 1.582 -27.330 12.026
227 HA VAL 33 HA VAL 33 3.489 -28.838 13.417
228 HB VAL 33 HB VAL 33 3.780 -26.778 11.242
229 1HG1 VAL 33 1HG1 VAL 33 5.877 -27.161 12.529
230 2HG1 VAL 33 3HG1 VAL 33 5.784 -28.866 12.086
231 3HG1 VAL 33 2HG1 VAL 33 5.980 -27.638 10.834
232 1HG2 VAL 33 1HG2 VAL 33 3.479 -29.773 11.240
233 2HG2 VAL 33 3HG2 VAL 33 2.460 -28.572 10.445
234 3HG2 VAL 33 2HG2 VAL 33 4.093 -28.877 9.848
235 H GLY 34 H GLY 34 3.135 -25.324 12.988
236 1HA GLY 34 2HA GLY 34 5.297 -24.498 14.559
237 2HA GLY 34 1HA GLY 34 3.843 -23.543 14.257
238 H ALA 35 H ALA 35 1.884 -24.960 15.466
239 HA ALA 35 HA ALA 35 2.054 -24.249 18.154
240 1HB ALA 35 2HB ALA 35 -0.029 -24.787 16.796
241 2HB ALA 35 1HB ALA 35 0.326 -26.488 17.109
242 3HB ALA 35 3HB ALA 35 -0.005 -25.395 18.454
243 H THR 36 H THR 36 2.560 -27.403 16.611
244 HA THR 36 HA THR 36 2.940 -29.033 18.795
245 HB THR 36 HB THR 36 4.487 -29.024 16.202
246 HG1 THR 36 HG1 THR 36 2.316 -30.693 16.868
247 1HG2 THR 36 2HG2 THR 36 4.616 -30.754 18.551
248 2HG2 THR 36 1HG2 THR 36 4.282 -31.635 17.058
249 3HG2 THR 36 3HG2 THR 36 5.722 -30.622 17.182
250 H ILE 37 H ILE 37 5.497 -27.200 17.111
251 HA ILE 37 HA ILE 37 7.617 -27.793 18.781
252 HB ILE 37 HB ILE 37 7.086 -25.202 17.373
253 1HG1 ILE 37 2HG1 ILE 37 7.475 -27.905 16.425
254 2HG1 ILE 37 1HG1 ILE 37 7.063 -26.457 15.534
255 1HG2 ILE 37 3HG2 ILE 37 8.945 -25.168 19.022
256 2HG2 ILE 37 2HG2 ILE 37 9.707 -26.496 18.146
257 3HG2 ILE 37 1HG2 ILE 37 9.489 -24.930 17.360
258 1HD1 ILE 37 1HD1 ILE 37 9.454 -25.874 15.395
259 2HD1 ILE 37 3HD1 ILE 37 9.844 -27.345 16.288
260 3HD1 ILE 37 2HD1 ILE 37 9.124 -27.454 14.679
261 H GLY 38 H GLY 38 5.295 -25.116 19.024
262 1HA GLY 38 2HA GLY 38 6.426 -23.922 21.339
263 2HA GLY 38 1HA GLY 38 4.791 -23.660 20.731
264 H ILE 39 H ILE 39 3.525 -25.988 20.966
265 HA ILE 39 HA ILE 39 2.738 -26.212 23.582
266 HB ILE 39 HB ILE 39 2.792 -28.353 21.455
267 1HG1 ILE 39 2HG1 ILE 39 0.516 -26.601 22.387
268 2HG1 ILE 39 1HG1 ILE 39 1.532 -26.228 20.998
269 1HG2 ILE 39 2HG2 ILE 39 2.544 -29.372 23.683
270 2HG2 ILE 39 1HG2 ILE 39 1.209 -28.273 24.038
271 3HG2 ILE 39 3HG2 ILE 39 1.039 -29.484 22.765
272 1HD1 ILE 39 3HD1 ILE 39 0.831 -28.788 20.426
273 2HD1 ILE 39 2HD1 ILE 39 -0.607 -28.242 21.291
274 3HD1 ILE 39 1HD1 ILE 39 -0.059 -27.375 19.854
275 H LYS 40 H LYS 40 5.525 -27.640 22.057
276 HA LYS 40 HA LYS 40 6.130 -29.440 24.232
277 1HB LYS 40 2HB LYS 40 6.941 -29.193 21.585
278 2HB LYS 40 1HB LYS 40 8.369 -28.742 22.513
279 1HG LYS 40 2HG LYS 40 6.821 -31.192 23.273
280 2HG LYS 40 1HG LYS 40 7.939 -31.254 21.912
281 1HD LYS 40 2HD LYS 40 9.759 -31.176 23.249
282 2HD LYS 40 1HD LYS 40 9.039 -29.977 24.320
283 1HE LYS 40 2HE LYS 40 9.336 -31.959 25.612
284 2HE LYS 40 1HE LYS 40 7.613 -31.833 25.269
285 1HZ LYS 40 2HZ LYS 40 9.067 -33.296 23.273
286 2HZ LYS 40 1HZ LYS 40 9.159 -34.007 24.813
287 3HZ LYS 40 3HZ LYS 40 7.646 -33.712 24.105
288 H LEU 41 H LEU 41 8.091 -26.818 22.862
289 HA LEU 41 HA LEU 41 9.749 -26.381 25.020
290 1HB LEU 41 2HB LEU 41 9.977 -24.037 24.106
291 2HB LEU 41 1HB LEU 41 10.249 -25.317 22.919
292 HG LEU 41 HG LEU 41 7.591 -24.925 22.631
293 1HD1 LEU 41 3HD1 LEU 41 7.939 -22.968 24.328
294 2HD1 LEU 41 2HD1 LEU 41 8.560 -22.113 22.914
295 3HD1 LEU 41 1HD1 LEU 41 6.910 -22.738 22.913
296 1HD2 LEU 41 1HD2 LEU 41 9.776 -24.697 21.076
297 2HD2 LEU 41 3HD2 LEU 41 8.154 -24.257 20.543
298 3HD2 LEU 41 2HD2 LEU 41 9.258 -23.010 21.125
299 H PHE 42 H PHE 42 6.596 -24.994 24.391
300 HA PHE 42 HA PHE 42 6.559 -23.211 26.602
301 1HB PHE 42 2HB PHE 42 5.035 -23.431 24.441
302 2HB PHE 42 1HB PHE 42 4.026 -24.349 25.546
303 HD1 PHE 42 HD2 PHE 42 5.647 -21.069 24.994
304 HD2 PHE 42 HD1 PHE 42 2.725 -23.261 27.208
305 HE1 PHE 42 HE2 PHE 42 4.764 -18.962 25.917
306 HE2 PHE 42 HE1 PHE 42 1.845 -21.154 28.131
307 HZ PHE 42 HZ PHE 42 2.863 -19.004 27.486
308 H LYS 43 H LYS 43 5.972 -26.604 26.284
309 HA LYS 43 HA LYS 43 4.458 -26.864 28.723
310 1HB LYS 43 2HB LYS 43 3.868 -28.639 27.443
311 2HB LYS 43 1HB LYS 43 5.372 -28.611 26.539
312 1HG LYS 43 2HG LYS 43 6.444 -29.975 28.010
313 2HG LYS 43 1HG LYS 43 5.420 -29.536 29.371
314 1HD LYS 43 2HD LYS 43 4.807 -31.757 28.775
315 2HD LYS 43 1HD LYS 43 3.527 -30.699 28.185
316 1HE LYS 43 2HE LYS 43 3.822 -31.492 26.117
317 2HE LYS 43 1HE LYS 43 5.484 -30.913 26.134
318 1HZ LYS 43 1HZ LYS 43 5.980 -33.039 27.404
319 2HZ LYS 43 3HZ LYS 43 4.456 -33.576 26.888
320 3HZ LYS 43 2HZ LYS 43 5.648 -33.183 25.743
321 H LYS 44 H LYS 44 7.755 -27.713 27.683
322 HA LYS 44 HA LYS 44 8.717 -28.588 30.165
323 1HB LYS 44 2HB LYS 44 10.175 -27.241 27.886
324 2HB LYS 44 1HB LYS 44 10.963 -28.043 29.242
325 1HG LYS 44 2HG LYS 44 9.510 -30.106 28.574
326 2HG LYS 44 1HG LYS 44 9.306 -29.261 27.039
327 1HD LYS 44 2HD LYS 44 11.183 -30.514 26.552
328 2HD LYS 44 1HD LYS 44 11.942 -29.026 27.131
329 1HE LYS 44 2HE LYS 44 11.604 -31.672 28.577
330 2HE LYS 44 1HE LYS 44 13.097 -30.804 28.231
331 1HZ LYS 44 1HZ LYS 44 10.968 -29.840 30.062
332 2HZ LYS 44 3HZ LYS 44 12.386 -30.627 30.557
333 3HZ LYS 44 2HZ LYS 44 12.481 -29.114 29.793
334 H PHE 45 H PHE 45 7.953 -25.428 29.041
335 HA PHE 45 HA PHE 45 9.457 -24.164 31.232
336 1HB PHE 45 2HB PHE 45 9.402 -23.434 28.676
337 2HB PHE 45 1HB PHE 45 7.958 -22.584 29.205
338 HD1 PHE 45 HD2 PHE 45 11.599 -22.921 29.693
339 HD2 PHE 45 HD1 PHE 45 8.099 -20.641 30.574
340 HE1 PHE 45 HE2 PHE 45 13.006 -21.106 30.584
341 HE2 PHE 45 HE1 PHE 45 9.507 -18.826 31.467
342 HZ PHE 45 HZ PHE 45 11.961 -19.058 31.471
343 H THR 46 H THR 46 6.960 -25.737 31.535
344 HA THR 46 HA THR 46 5.487 -23.777 33.095
345 HB THR 46 HB THR 46 3.324 -24.795 32.099
346 HG1 THR 46 HG1 THR 46 3.511 -25.827 30.253
347 1HG2 THR 46 3HG2 THR 46 5.039 -22.810 30.608
348 2HG2 THR 46 2HG2 THR 46 3.328 -23.084 30.276
349 3HG2 THR 46 1HG2 THR 46 3.834 -22.462 31.848
350 H SER 47 H SER 47 7.181 -26.147 33.554
351 HA SER 47 HA SER 47 5.246 -28.019 34.748
352 1HB SER 47 2HB SER 47 6.851 -29.075 33.292
353 2HB SER 47 1HB SER 47 8.187 -28.295 34.130
354 HG SER 47 HG SER 47 6.343 -30.008 35.451
355 H LYS 48 H LYS 48 6.951 -25.342 35.649
356 HA LYS 48 HA LYS 48 7.909 -24.556 37.599
357 1HB LYS 48 2HB LYS 48 5.499 -26.078 38.571
358 2HB LYS 48 1HB LYS 48 6.341 -24.846 39.504
359 1HG LYS 48 2HG LYS 48 4.628 -23.587 38.619
360 2HG LYS 48 1HG LYS 48 5.808 -23.377 37.334
361 1HD LYS 48 2HD LYS 48 3.746 -23.929 36.291
362 2HD LYS 48 1HD LYS 48 4.761 -25.366 36.190
363 1HE LYS 48 2HE LYS 48 2.311 -25.684 36.906
364 2HE LYS 48 1HE LYS 48 3.554 -26.481 37.868
365 1HZ LYS 48 2HZ LYS 48 2.427 -23.827 38.552
366 2HZ LYS 48 1HZ LYS 48 1.797 -25.285 39.154
367 3HZ LYS 48 3HZ LYS 48 3.388 -24.831 39.527
368 H ALA 49 H ALA 49 9.869 -25.614 37.779
369 HA ALA 49 HA ALA 49 10.318 -28.239 38.597
370 1HB ALA 49 2HB ALA 49 11.839 -25.909 38.062
371 2HB ALA 49 1HB ALA 49 12.377 -26.547 39.618
372 3HB ALA 49 3HB ALA 49 12.409 -27.577 38.184
373 H SER 50 H SER 50 11.223 -28.979 40.662
374 HA SER 50 HA SER 50 9.527 -28.299 42.852
375 1HB SER 50 2HB SER 50 12.000 -30.018 42.672
376 2HB SER 50 1HB SER 50 11.013 -29.866 44.122
377 HG SER 50 HG SER 50 10.260 -30.896 41.576
No H/Q in entry = 377
Start of MODEL 4
1 1H ALA 1 3H ALA 1 -43.008 -20.472 12.836
2 2H ALA 1 2H ALA 1 -43.291 -19.294 14.027
3 3H ALA 1 1H ALA 1 -43.052 -18.831 12.410
4 HA ALA 1 HA ALA 1 -40.997 -18.388 13.203
5 1HB ALA 1 1HB ALA 1 -41.817 -20.259 15.292
6 2HB ALA 1 3HB ALA 1 -40.113 -20.407 14.858
7 3HB ALA 1 2HB ALA 1 -40.756 -18.851 15.388
8 H GLU 2 H GLU 2 -39.058 -19.015 12.315
9 HA GLU 2 HA GLU 2 -39.179 -21.415 10.619
10 1HB GLU 2 2HB GLU 2 -37.080 -19.251 10.506
11 2HB GLU 2 1HB GLU 2 -37.554 -20.371 9.232
12 1HG GLU 2 2HG GLU 2 -39.135 -18.020 10.307
13 2HG GLU 2 1HG GLU 2 -38.467 -18.217 8.685
14 H GLY 3 H GLY 3 -38.807 -22.046 13.225
15 1HA GLY 3 2HA GLY 3 -37.384 -22.914 14.819
16 2HA GLY 3 1HA GLY 3 -36.839 -23.800 13.405
17 H ASP 4 H ASP 4 -34.770 -23.895 14.483
18 HA ASP 4 HA ASP 4 -33.265 -21.387 14.669
19 1HB ASP 4 2HB ASP 4 -33.033 -24.084 15.821
20 2HB ASP 4 1HB ASP 4 -31.498 -23.359 15.333
21 H ASP 5 H ASP 5 -33.475 -21.250 12.214
22 HA ASP 5 HA ASP 5 -31.297 -22.809 10.995
23 1HB ASP 5 2HB ASP 5 -33.876 -22.973 10.238
24 2HB ASP 5 1HB ASP 5 -33.343 -21.633 9.225
25 HA PRO 6 HA PRO 6 -30.472 -18.173 10.609
26 1HB PRO 6 2HB PRO 6 -28.469 -17.959 12.421
27 2HB PRO 6 1HB PRO 6 -30.170 -17.685 12.831
28 1HG PRO 6 2HG PRO 6 -28.466 -20.069 13.344
29 2HG PRO 6 1HG PRO 6 -29.729 -19.349 14.354
30 1HD PRO 6 2HD PRO 6 -30.073 -21.585 12.823
31 2HD PRO 6 1HD PRO 6 -31.385 -20.491 13.310
32 H ALA 7 H ALA 7 -28.930 -21.189 10.531
33 HA ALA 7 HA ALA 7 -26.454 -20.223 9.322
34 1HB ALA 7 3HB ALA 7 -27.358 -22.678 10.664
35 2HB ALA 7 2HB ALA 7 -26.362 -22.962 9.233
36 3HB ALA 7 1HB ALA 7 -25.741 -21.974 10.554
37 H LYS 8 H LYS 8 -29.555 -21.012 8.305
38 HA LYS 8 HA LYS 8 -29.394 -22.614 6.109
39 1HB LYS 8 2HB LYS 8 -31.265 -21.408 5.188
40 2HB LYS 8 1HB LYS 8 -31.448 -21.486 6.939
41 1HG LYS 8 2HG LYS 8 -31.825 -19.262 6.757
42 2HG LYS 8 1HG LYS 8 -30.068 -19.160 6.678
43 1HD LYS 8 2HD LYS 8 -30.087 -19.031 4.300
44 2HD LYS 8 1HD LYS 8 -31.783 -19.497 4.219
45 1HE LYS 8 2HE LYS 8 -30.937 -16.944 4.027
46 2HE LYS 8 1HE LYS 8 -32.520 -17.391 4.650
47 1HZ LYS 8 1HZ LYS 8 -30.104 -16.939 6.317
48 2HZ LYS 8 3HZ LYS 8 -31.339 -15.802 6.070
49 3HZ LYS 8 2HZ LYS 8 -31.677 -17.256 6.879
50 H ALA 9 H ALA 9 -28.089 -19.388 6.444
51 HA ALA 9 HA ALA 9 -27.631 -18.889 3.675
52 1HB ALA 9 2HB ALA 9 -26.482 -17.733 6.208
53 2HB ALA 9 1HB ALA 9 -25.952 -17.206 4.608
54 3HB ALA 9 3HB ALA 9 -27.637 -16.998 5.092
55 H ALA 10 H ALA 10 -25.735 -20.353 6.257
56 HA ALA 10 HA ALA 10 -23.261 -20.555 4.951
57 1HB ALA 10 3HB ALA 10 -24.251 -21.277 7.407
58 2HB ALA 10 2HB ALA 10 -23.958 -22.843 6.647
59 3HB ALA 10 1HB ALA 10 -22.641 -21.678 6.806
60 H PHE 11 H PHE 11 -26.200 -22.379 4.644
61 HA PHE 11 HA PHE 11 -25.177 -24.693 3.382
62 1HB PHE 11 2HB PHE 11 -27.436 -24.515 4.371
63 2HB PHE 11 1HB PHE 11 -27.890 -23.402 3.090
64 HD1 PHE 11 HD1 PHE 11 -25.666 -26.076 2.104
65 HD2 PHE 11 HD2 PHE 11 -29.790 -25.055 2.654
66 HE1 PHE 11 HE1 PHE 11 -26.336 -27.991 0.711
67 HE2 PHE 11 HE2 PHE 11 -30.441 -26.967 1.258
68 HZ PHE 11 HZ PHE 11 -28.720 -28.437 0.287
69 H ASN 12 H ASN 12 -26.448 -21.636 2.090
70 HA ASN 12 HA ASN 12 -26.041 -22.410 -0.652
71 1HB ASN 12 2HB ASN 12 -27.773 -20.763 0.252
72 2HB ASN 12 1HB ASN 12 -26.447 -19.603 0.350
73 1HD2 ASN 12 2HD2 ASN 12 -26.616 -18.786 -3.007
74 2HD2 ASN 12 1HD2 ASN 12 -26.152 -18.390 -1.391
75 H SER 13 H SER 13 -24.028 -21.024 1.787
76 HA SER 13 HA SER 13 -22.166 -19.937 -0.200
77 1HB SER 13 2HB SER 13 -22.906 -18.907 2.152
78 2HB SER 13 1HB SER 13 -21.531 -19.859 2.691
79 HG SER 13 HG SER 13 -20.647 -17.950 2.068
80 H LEU 14 H LEU 14 -22.509 -22.506 2.153
81 HA LEU 14 HA LEU 14 -19.900 -23.395 2.384
82 1HB LEU 14 2HB LEU 14 -21.761 -24.356 3.648
83 2HB LEU 14 1HB LEU 14 -22.393 -25.089 2.181
84 HG LEU 14 HG LEU 14 -20.250 -26.323 1.965
85 1HD1 LEU 14 3HD1 LEU 14 -18.973 -24.692 3.447
86 2HD1 LEU 14 2HD1 LEU 14 -19.676 -25.559 4.814
87 3HD1 LEU 14 1HD1 LEU 14 -18.633 -26.408 3.671
88 1HD2 LEU 14 3HD2 LEU 14 -21.941 -26.778 4.412
89 2HD2 LEU 14 2HD2 LEU 14 -22.052 -27.574 2.840
90 3HD2 LEU 14 1HD2 LEU 14 -20.682 -27.903 3.901
91 H GLN 15 H GLN 15 -22.020 -23.525 -0.332
92 HA GLN 15 HA GLN 15 -20.434 -25.464 -1.807
93 1HB GLN 15 2HB GLN 15 -23.047 -24.806 -1.960
94 2HB GLN 15 1HB GLN 15 -22.402 -23.751 -3.211
95 1HG GLN 15 2HG GLN 15 -23.103 -25.932 -4.131
96 2HG GLN 15 1HG GLN 15 -21.374 -25.656 -4.334
97 1HE2 GLN 15 2HD2 GLN 15 -22.303 -28.147 -1.212
98 2HE2 GLN 15 1HD2 GLN 15 -23.104 -26.630 -1.394
99 H ALA 16 H ALA 16 -20.633 -22.028 -1.403
100 HA ALA 16 HA ALA 16 -19.020 -21.458 -3.767
101 1HB ALA 16 1HB ALA 16 -20.956 -20.020 -3.194
102 2HB ALA 16 3HB ALA 16 -20.169 -19.599 -1.671
103 3HB ALA 16 2HB ALA 16 -19.437 -19.123 -3.209
104 H SER 17 H SER 17 -18.767 -21.718 -0.312
105 HA SER 17 HA SER 17 -16.322 -20.288 -0.003
106 1HB SER 17 2HB SER 17 -18.004 -20.789 1.805
107 2HB SER 17 1HB SER 17 -17.403 -22.443 1.804
108 HG SER 17 HG SER 17 -15.918 -20.066 2.339
109 H ALA 18 H ALA 18 -17.008 -23.320 -1.349
110 HA ALA 18 HA ALA 18 -15.048 -25.053 -0.589
111 1HB ALA 18 3HB ALA 18 -16.177 -24.458 -3.313
112 2HB ALA 18 2HB ALA 18 -15.010 -25.757 -3.052
113 3HB ALA 18 1HB ALA 18 -16.570 -25.791 -2.225
114 H THR 19 H THR 19 -14.652 -22.181 -2.583
115 HA THR 19 HA THR 19 -12.043 -22.698 -3.518
116 HB THR 19 HB THR 19 -12.907 -19.909 -2.969
117 HG1 THR 19 HG1 THR 19 -14.810 -20.495 -3.735
118 1HG2 THR 19 3HG2 THR 19 -10.831 -20.830 -4.318
119 2HG2 THR 19 2HG2 THR 19 -12.025 -20.957 -5.612
120 3HG2 THR 19 1HG2 THR 19 -11.708 -19.395 -4.854
121 H GLU 20 H GLU 20 -13.157 -20.927 -0.615
122 HA GLU 20 HA GLU 20 -10.527 -20.236 0.230
123 1HB GLU 20 2HB GLU 20 -13.272 -20.042 1.309
124 2HB GLU 20 1HB GLU 20 -11.971 -20.055 2.470
125 1HG GLU 20 2HG GLU 20 -11.830 -18.252 0.108
126 2HG GLU 20 1HG GLU 20 -12.753 -17.769 1.525
127 H TYR 21 H TYR 21 -12.090 -23.216 0.204
128 HA TYR 21 HA TYR 21 -10.902 -24.182 2.681
129 1HB TYR 21 2HB TYR 21 -12.845 -25.236 0.693
130 2HB TYR 21 1HB TYR 21 -11.914 -26.398 1.628
131 HD1 TYR 21 HD2 TYR 21 -13.349 -23.077 2.554
132 HD2 TYR 21 HD1 TYR 21 -13.330 -27.292 3.227
133 HE1 TYR 21 HE2 TYR 21 -14.891 -22.782 4.457
134 HE2 TYR 21 HE1 TYR 21 -14.871 -26.993 5.128
135 HH TYR 21 HH TYR 21 -15.471 -24.052 6.571
136 H ILE 22 H ILE 22 -10.299 -24.202 -0.748
137 HA ILE 22 HA ILE 22 -8.510 -26.385 -0.855
138 HB ILE 22 HB ILE 22 -8.959 -23.923 -2.537
139 1HG1 ILE 22 2HG1 ILE 22 -9.507 -26.871 -3.043
140 2HG1 ILE 22 1HG1 ILE 22 -10.717 -25.620 -2.672
141 1HG2 ILE 22 2HG2 ILE 22 -6.590 -24.557 -2.700
142 2HG2 ILE 22 1HG2 ILE 22 -7.078 -26.165 -3.236
143 3HG2 ILE 22 3HG2 ILE 22 -7.465 -24.752 -4.218
144 1HD1 ILE 22 3HD1 ILE 22 -10.066 -24.442 -4.784
145 2HD1 ILE 22 2HD1 ILE 22 -8.934 -25.748 -5.139
146 3HD1 ILE 22 1HD1 ILE 22 -10.669 -26.074 -5.087
147 H GLY 23 H GLY 23 -8.238 -23.077 0.170
148 1HA GLY 23 2HA GLY 23 -5.315 -23.316 0.439
149 2HA GLY 23 1HA GLY 23 -6.234 -21.810 0.502
150 H TYR 24 H TYR 24 -7.304 -24.682 2.152
151 HA TYR 24 HA TYR 24 -6.747 -23.377 4.744
152 1HB TYR 24 2HB TYR 24 -9.091 -24.693 3.640
153 2HB TYR 24 1HB TYR 24 -8.616 -25.378 5.187
154 HD1 TYR 24 HD1 TYR 24 -8.402 -21.871 3.930
155 HD2 TYR 24 HD2 TYR 24 -10.134 -24.575 6.742
156 HE1 TYR 24 HE1 TYR 24 -9.472 -19.981 5.091
157 HE2 TYR 24 HE2 TYR 24 -11.202 -22.684 7.900
158 HH TYR 24 HH TYR 24 -11.924 -20.360 7.361
159 H ALA 25 H ALA 25 -5.122 -25.355 3.007
160 HA ALA 25 HA ALA 25 -4.852 -27.537 4.975
161 1HB ALA 25 2HB ALA 25 -3.801 -27.306 2.138
162 2HB ALA 25 1HB ALA 25 -3.591 -28.705 3.193
163 3HB ALA 25 3HB ALA 25 -5.206 -28.248 2.644
164 H TRP 26 H TRP 26 -2.973 -25.160 3.123
165 HA TRP 26 HA TRP 26 -0.463 -25.724 4.290
166 1HB TRP 26 2HB TRP 26 -1.637 -23.655 2.580
167 2HB TRP 26 1HB TRP 26 -0.392 -23.046 3.660
168 HD1 TRP 26 1HD TRP 26 -0.606 -24.188 0.276
169 HE1 TRP 26 1HE TRP 26 1.578 -25.242 -0.528
170 HE3 TRP 26 3HE TRP 26 1.717 -24.975 4.772
171 HZ2 TRP 26 2HZ TRP 26 3.958 -26.272 0.540
172 HZ3 TRP 26 3HZ TRP 26 3.954 -26.002 4.806
173 HH2 TRP 26 HH2 TRP 26 5.067 -26.647 2.711
174 H ALA 27 H ALA 27 -2.975 -23.332 5.056
175 HA ALA 27 HA ALA 27 -1.680 -22.116 7.246
176 1HB ALA 27 2HB ALA 27 -3.796 -21.363 5.990
177 2HB ALA 27 1HB ALA 27 -4.665 -22.484 7.042
178 3HB ALA 27 3HB ALA 27 -3.768 -21.134 7.740
179 H MET 28 H MET 28 -3.916 -24.865 7.034
180 HA MET 28 HA MET 28 -4.199 -25.429 9.749
181 1HB MET 28 2HB MET 28 -5.033 -26.585 7.380
182 2HB MET 28 1HB MET 28 -3.913 -27.780 8.004
183 1HG MET 28 2HG MET 28 -6.523 -26.841 9.134
184 2HG MET 28 1HG MET 28 -5.926 -28.464 8.889
185 1HE MET 28 3HE MET 28 -7.494 -27.532 11.382
186 2HE MET 28 2HE MET 28 -6.830 -29.164 11.452
187 3HE MET 28 1HE MET 28 -6.568 -28.056 12.796
188 H VAL 29 H VAL 29 -1.730 -26.387 7.423
189 HA VAL 29 HA VAL 29 -0.244 -28.080 9.128
190 HB VAL 29 HB VAL 29 0.621 -26.419 6.760
191 1HG1 VAL 29 2HG1 VAL 29 2.007 -28.735 8.113
192 2HG1 VAL 29 1HG1 VAL 29 2.513 -27.982 6.599
193 3HG1 VAL 29 3HG1 VAL 29 2.547 -27.055 8.100
194 1HG2 VAL 29 1HG2 VAL 29 -1.112 -28.592 6.875
195 2HG2 VAL 29 3HG2 VAL 29 -0.298 -27.967 5.439
196 3HG2 VAL 29 2HG2 VAL 29 0.430 -29.282 6.365
197 H VAL 30 H VAL 30 0.179 -24.663 8.243
198 HA VAL 30 HA VAL 30 2.352 -24.118 9.944
199 HB VAL 30 HB VAL 30 0.167 -22.333 8.896
200 1HG1 VAL 30 1HG1 VAL 30 2.217 -21.777 10.822
201 2HG1 VAL 30 3HG1 VAL 30 2.508 -20.845 9.352
202 3HG1 VAL 30 2HG1 VAL 30 0.961 -20.709 10.190
203 1HG2 VAL 30 3HG2 VAL 30 2.666 -23.407 7.785
204 2HG2 VAL 30 2HG2 VAL 30 1.219 -22.816 6.965
205 3HG2 VAL 30 1HG2 VAL 30 2.431 -21.674 7.549
206 H VAL 31 H VAL 31 -1.130 -23.947 10.425
207 HA VAL 31 HA VAL 31 -1.196 -22.778 12.965
208 HB VAL 31 HB VAL 31 -2.986 -24.292 11.223
209 1HG1 VAL 31 3HG1 VAL 31 -3.132 -25.805 13.148
210 2HG1 VAL 31 2HG1 VAL 31 -3.523 -24.434 14.191
211 3HG1 VAL 31 1HG1 VAL 31 -4.636 -24.911 12.908
212 1HG2 VAL 31 1HG2 VAL 31 -2.930 -21.807 11.706
213 2HG2 VAL 31 3HG2 VAL 31 -4.516 -22.577 11.771
214 3HG2 VAL 31 2HG2 VAL 31 -3.662 -22.188 13.265
215 H ILE 32 H ILE 32 -1.220 -26.220 12.080
216 HA ILE 32 HA ILE 32 -1.018 -27.247 14.691
217 HB ILE 32 HB ILE 32 -0.366 -28.308 11.965
218 1HG1 ILE 32 2HG1 ILE 32 -2.527 -28.914 13.977
219 2HG1 ILE 32 1HG1 ILE 32 -2.706 -28.051 12.453
220 1HG2 ILE 32 3HG2 ILE 32 -0.140 -29.828 14.570
221 2HG2 ILE 32 2HG2 ILE 32 -0.086 -30.552 12.961
222 3HG2 ILE 32 1HG2 ILE 32 1.183 -29.437 13.467
223 1HD1 ILE 32 1HD1 ILE 32 -1.963 -30.129 11.265
224 2HD1 ILE 32 3HD1 ILE 32 -2.008 -30.968 12.817
225 3HD1 ILE 32 2HD1 ILE 32 -3.492 -30.303 12.129
226 H VAL 33 H VAL 33 1.483 -26.498 12.261
227 HA VAL 33 HA VAL 33 3.689 -27.407 13.691
228 HB VAL 33 HB VAL 33 3.490 -25.166 11.690
229 1HG1 VAL 33 2HG1 VAL 33 5.671 -26.001 13.276
230 2HG1 VAL 33 1HG1 VAL 33 5.978 -26.553 11.628
231 3HG1 VAL 33 3HG1 VAL 33 5.671 -24.845 11.942
232 1HG2 VAL 33 3HG2 VAL 33 2.982 -27.877 11.349
233 2HG2 VAL 33 2HG2 VAL 33 3.323 -26.701 10.078
234 3HG2 VAL 33 1HG2 VAL 33 4.634 -27.662 10.767
235 H GLY 34 H GLY 34 2.632 -24.026 13.279
236 1HA GLY 34 2HA GLY 34 4.338 -22.803 15.070
237 2HA GLY 34 1HA GLY 34 2.721 -22.213 14.691
238 H ALA 35 H ALA 35 1.264 -24.422 15.735
239 HA ALA 35 HA ALA 35 1.235 -23.693 18.520
240 1HB ALA 35 2HB ALA 35 -0.455 -25.292 16.688
241 2HB ALA 35 1HB ALA 35 -0.510 -25.738 18.395
242 3HB ALA 35 3HB ALA 35 -0.917 -24.094 17.899
243 H THR 36 H THR 36 1.449 -26.870 16.920
244 HA THR 36 HA THR 36 2.116 -28.480 19.005
245 HB THR 36 HB THR 36 3.366 -28.566 16.261
246 HG1 THR 36 HG1 THR 36 0.947 -29.634 17.292
247 1HG2 THR 36 3HG2 THR 36 4.082 -30.080 18.403
248 2HG2 THR 36 2HG2 THR 36 2.784 -31.059 17.713
249 3HG2 THR 36 1HG2 THR 36 4.179 -30.619 16.724
250 H ILE 37 H ILE 37 4.331 -26.338 17.254
251 HA ILE 37 HA ILE 37 6.730 -27.185 18.400
252 HB ILE 37 HB ILE 37 5.854 -24.534 17.344
253 1HG1 ILE 37 2HG1 ILE 37 5.986 -26.723 15.963
254 2HG1 ILE 37 1HG1 ILE 37 6.668 -25.247 15.326
255 1HG2 ILE 37 3HG2 ILE 37 8.379 -25.302 18.639
256 2HG2 ILE 37 2HG2 ILE 37 8.547 -24.489 17.082
257 3HG2 ILE 37 1HG2 ILE 37 7.667 -23.705 18.397
258 1HD1 ILE 37 3HD1 ILE 37 8.534 -26.785 16.950
259 2HD1 ILE 37 2HD1 ILE 37 7.975 -27.644 15.514
260 3HD1 ILE 37 1HD1 ILE 37 8.762 -26.072 15.354
261 H GLY 38 H GLY 38 4.739 -24.375 19.338
262 1HA GLY 38 2HA GLY 38 6.177 -23.785 21.704
263 2HA GLY 38 1HA GLY 38 4.557 -23.213 21.314
264 H ILE 39 H ILE 39 3.105 -25.527 21.196
265 HA ILE 39 HA ILE 39 2.348 -26.051 23.779
266 HB ILE 39 HB ILE 39 2.242 -27.890 21.389
267 1HG1 ILE 39 2HG1 ILE 39 0.201 -26.000 22.576
268 2HG1 ILE 39 1HG1 ILE 39 1.104 -25.746 21.085
269 1HG2 ILE 39 3HG2 ILE 39 1.961 -29.125 23.533
270 2HG2 ILE 39 2HG2 ILE 39 0.627 -28.047 23.947
271 3HG2 ILE 39 1HG2 ILE 39 0.493 -29.120 22.552
272 1HD1 ILE 39 3HD1 ILE 39 -0.388 -28.298 21.272
273 2HD1 ILE 39 2HD1 ILE 39 -1.368 -26.835 21.154
274 3HD1 ILE 39 1HD1 ILE 39 -0.183 -27.207 19.900
275 H LYS 40 H LYS 40 5.036 -27.398 22.027
276 HA LYS 40 HA LYS 40 5.533 -29.515 23.937
277 1HB LYS 40 2HB LYS 40 6.182 -29.205 21.331
278 2HB LYS 40 1HB LYS 40 7.681 -28.674 22.089
279 1HG LYS 40 2HG LYS 40 6.456 -31.170 23.134
280 2HG LYS 40 1HG LYS 40 7.168 -31.247 21.524
281 1HD LYS 40 2HD LYS 40 8.825 -29.876 23.535
282 2HD LYS 40 1HD LYS 40 8.551 -31.587 23.855
283 1HE LYS 40 2HE LYS 40 9.272 -32.042 21.480
284 2HE LYS 40 1HE LYS 40 9.750 -30.351 21.374
285 1HZ LYS 40 1HZ LYS 40 11.010 -31.000 23.578
286 2HZ LYS 40 3HZ LYS 40 10.966 -32.540 22.871
287 3HZ LYS 40 2HZ LYS 40 11.698 -31.248 22.045
288 H LEU 41 H LEU 41 7.623 -26.856 22.827
289 HA LEU 41 HA LEU 41 9.423 -26.857 24.908
290 1HB LEU 41 2HB LEU 41 9.780 -24.428 24.361
291 2HB LEU 41 1HB LEU 41 9.850 -25.501 22.960
292 HG LEU 41 HG LEU 41 7.257 -24.908 22.884
293 1HD1 LEU 41 1HD1 LEU 41 7.952 -23.307 24.968
294 2HD1 LEU 41 3HD1 LEU 41 8.132 -22.196 23.608
295 3HD1 LEU 41 2HD1 LEU 41 6.589 -23.004 23.888
296 1HD2 LEU 41 1HD2 LEU 41 9.670 -23.833 21.655
297 2HD2 LEU 41 3HD2 LEU 41 8.146 -24.324 20.915
298 3HD2 LEU 41 2HD2 LEU 41 8.313 -22.707 21.602
299 H PHE 42 H PHE 42 6.362 -25.154 24.730
300 HA PHE 42 HA PHE 42 6.482 -23.648 27.063
301 1HB PHE 42 2HB PHE 42 4.664 -23.849 25.192
302 2HB PHE 42 1HB PHE 42 3.944 -25.016 26.287
303 HD1 PHE 42 HD1 PHE 42 3.269 -24.312 28.575
304 HD2 PHE 42 HD2 PHE 42 4.545 -21.509 25.615
305 HE1 PHE 42 HE1 PHE 42 2.249 -22.480 29.868
306 HE2 PHE 42 HE2 PHE 42 3.522 -19.679 26.911
307 HZ PHE 42 HZ PHE 42 2.374 -20.163 29.036
308 H LYS 43 H LYS 43 6.086 -27.064 26.662
309 HA LYS 43 HA LYS 43 5.131 -27.470 29.376
310 1HB LYS 43 2HB LYS 43 4.073 -29.046 28.149
311 2HB LYS 43 1HB LYS 43 5.301 -29.036 26.894
312 1HG LYS 43 2HG LYS 43 6.587 -30.605 27.949
313 2HG LYS 43 1HG LYS 43 5.933 -30.254 29.545
314 1HD LYS 43 2HD LYS 43 4.905 -32.277 29.058
315 2HD LYS 43 1HD LYS 43 3.696 -31.109 28.530
316 1HE LYS 43 2HE LYS 43 4.231 -31.417 26.253
317 2HE LYS 43 1HE LYS 43 5.759 -32.206 26.632
318 1HZ LYS 43 1HZ LYS 43 4.059 -33.852 27.825
319 2HZ LYS 43 3HZ LYS 43 3.070 -33.296 26.565
320 3HZ LYS 43 2HZ LYS 43 4.556 -34.038 26.211
321 H LYS 44 H LYS 44 8.109 -27.966 27.519
322 HA LYS 44 HA LYS 44 9.421 -29.105 29.873
323 1HB LYS 44 2HB LYS 44 10.607 -28.629 27.145
324 2HB LYS 44 1HB LYS 44 11.211 -29.691 28.413
325 1HG LYS 44 2HG LYS 44 8.672 -30.661 28.093
326 2HG LYS 44 1HG LYS 44 9.055 -30.161 26.443
327 1HD LYS 44 2HD LYS 44 9.897 -32.309 26.421
328 2HD LYS 44 1HD LYS 44 11.344 -31.409 26.895
329 1HE LYS 44 2HE LYS 44 9.516 -33.124 28.590
330 2HE LYS 44 1HE LYS 44 11.265 -33.225 28.421
331 1HZ LYS 44 2HZ LYS 44 9.798 -31.007 29.746
332 2HZ LYS 44 1HZ LYS 44 10.586 -32.279 30.546
333 3HZ LYS 44 3HZ LYS 44 11.486 -31.167 29.635
334 H PHE 45 H PHE 45 9.004 -26.061 28.447
335 HA PHE 45 HA PHE 45 11.488 -24.837 28.806
336 1HB PHE 45 2HB PHE 45 9.658 -23.760 27.616
337 2HB PHE 45 1HB PHE 45 8.729 -23.641 29.104
338 HD1 PHE 45 HD2 PHE 45 12.367 -23.043 28.738
339 HD2 PHE 45 HD1 PHE 45 8.506 -21.300 29.272
340 HE1 PHE 45 HE2 PHE 45 13.417 -20.862 29.212
341 HE2 PHE 45 HE1 PHE 45 9.556 -19.122 29.745
342 HZ PHE 45 HZ PHE 45 12.010 -18.902 29.715
343 H THR 46 H THR 46 8.775 -24.104 30.977
344 HA THR 46 HA THR 46 10.579 -24.479 33.263
345 HB THR 46 HB THR 46 10.401 -22.076 32.609
346 HG1 THR 46 HG1 THR 46 9.475 -22.971 35.126
347 1HG2 THR 46 1HG2 THR 46 7.528 -22.461 33.457
348 2HG2 THR 46 3HG2 THR 46 8.305 -20.897 33.200
349 3HG2 THR 46 2HG2 THR 46 8.100 -22.013 31.848
350 H SER 47 H SER 47 7.241 -24.219 32.131
351 HA SER 47 HA SER 47 5.720 -24.649 34.321
352 1HB SER 47 2HB SER 47 5.188 -26.408 31.971
353 2HB SER 47 1HB SER 47 4.066 -25.456 32.936
354 HG SER 47 HG SER 47 5.578 -24.740 30.730
355 H LYS 48 H LYS 48 5.927 -25.956 35.979
356 HA LYS 48 HA LYS 48 6.645 -27.720 37.285
357 1HB LYS 48 2HB LYS 48 4.975 -28.946 35.114
358 2HB LYS 48 1HB LYS 48 5.515 -29.861 36.519
359 1HG LYS 48 2HG LYS 48 3.842 -27.338 36.586
360 2HG LYS 48 1HG LYS 48 3.225 -28.970 36.801
361 1HD LYS 48 2HD LYS 48 4.828 -27.277 38.674
362 2HD LYS 48 1HD LYS 48 3.430 -28.291 38.996
363 1HE LYS 48 2HE LYS 48 4.785 -30.297 38.863
364 2HE LYS 48 1HE LYS 48 6.188 -29.361 38.357
365 1HZ LYS 48 1HZ LYS 48 4.808 -28.946 40.946
366 2HZ LYS 48 3HZ LYS 48 6.122 -30.002 40.756
367 3HZ LYS 48 2HZ LYS 48 6.320 -28.340 40.465
368 H ALA 49 H ALA 49 8.914 -27.393 36.660
369 HA ALA 49 HA ALA 49 10.220 -28.738 34.592
370 1HB ALA 49 1HB ALA 49 10.902 -27.157 36.831
371 2HB ALA 49 3HB ALA 49 11.883 -28.623 36.920
372 3HB ALA 49 2HB ALA 49 11.936 -27.613 35.472
373 H SER 50 H SER 50 12.112 -30.367 35.432
374 HA SER 50 HA SER 50 12.562 -32.570 35.882
375 1HB SER 50 2HB SER 50 11.781 -31.442 38.217
376 2HB SER 50 1HB SER 50 10.589 -32.728 38.072
377 HG SER 50 HG SER 50 12.437 -34.159 37.712
No H/Q in entry = 377
Start of MODEL 5
1 1H ALA 1 2H ALA 1 -1.863 8.005 -22.294
2 2H ALA 1 1H ALA 1 -0.399 7.980 -21.433
3 3H ALA 1 3H ALA 1 -0.445 7.440 -23.040
4 HA ALA 1 HA ALA 1 -0.969 5.402 -22.438
5 1HB ALA 1 2HB ALA 1 0.472 6.244 -20.436
6 2HB ALA 1 1HB ALA 1 -1.050 6.182 -19.543
7 3HB ALA 1 3HB ALA 1 -0.402 4.719 -20.286
8 H GLU 2 H GLU 2 -3.180 6.836 -23.163
9 HA GLU 2 HA GLU 2 -5.301 6.432 -21.220
10 1HB GLU 2 2HB GLU 2 -6.756 7.320 -23.025
11 2HB GLU 2 1HB GLU 2 -5.413 8.394 -22.639
12 1HG GLU 2 2HG GLU 2 -4.306 7.944 -24.626
13 2HG GLU 2 1HG GLU 2 -5.089 6.377 -24.828
14 H GLY 3 H GLY 3 -4.287 4.030 -21.492
15 1HA GLY 3 2HA GLY 3 -4.877 2.325 -23.503
16 2HA GLY 3 1HA GLY 3 -4.932 1.860 -21.811
17 H ASP 4 H ASP 4 -6.602 0.508 -23.328
18 HA ASP 4 HA ASP 4 -9.088 1.431 -24.057
19 1HB ASP 4 2HB ASP 4 -8.035 -1.146 -23.055
20 2HB ASP 4 1HB ASP 4 -9.783 -0.931 -22.955
21 H ASP 5 H ASP 5 -8.773 -0.376 -21.057
22 HA ASP 5 HA ASP 5 -9.729 1.589 -19.302
23 1HB ASP 5 2HB ASP 5 -11.781 1.271 -20.646
24 2HB ASP 5 1HB ASP 5 -11.742 -0.447 -20.249
25 HA PRO 6 HA PRO 6 -7.795 -1.600 -16.845
26 1HB PRO 6 2HB PRO 6 -8.440 -0.574 -14.396
27 2HB PRO 6 1HB PRO 6 -7.100 0.014 -15.396
28 1HG PRO 6 2HG PRO 6 -9.863 1.124 -15.102
29 2HG PRO 6 1HG PRO 6 -8.307 1.980 -15.147
30 1HD PRO 6 2HD PRO 6 -9.885 1.865 -17.320
31 2HD PRO 6 1HD PRO 6 -8.118 1.782 -17.469
32 H ALA 7 H ALA 7 -11.115 -0.764 -16.911
33 HA ALA 7 HA ALA 7 -12.234 -2.560 -15.061
34 1HB ALA 7 1HB ALA 7 -13.242 -1.461 -17.694
35 2HB ALA 7 3HB ALA 7 -14.237 -2.415 -16.588
36 3HB ALA 7 2HB ALA 7 -13.598 -0.852 -16.072
37 H LYS 8 H LYS 8 -10.979 -2.904 -18.290
38 HA LYS 8 HA LYS 8 -12.029 -5.435 -18.944
39 1HB LYS 8 2HB LYS 8 -10.475 -5.424 -20.739
40 2HB LYS 8 1HB LYS 8 -10.950 -3.745 -20.491
41 1HG LYS 8 2HG LYS 8 -8.743 -3.315 -20.466
42 2HG LYS 8 1HG LYS 8 -8.774 -3.982 -18.833
43 1HD LYS 8 2HD LYS 8 -8.195 -6.191 -19.695
44 2HD LYS 8 1HD LYS 8 -8.249 -5.584 -21.347
45 1HE LYS 8 2HE LYS 8 -5.959 -5.815 -20.023
46 2HE LYS 8 1HE LYS 8 -6.232 -4.505 -21.166
47 1HZ LYS 8 1HZ LYS 8 -6.737 -4.287 -18.251
48 2HZ LYS 8 3HZ LYS 8 -5.291 -3.810 -18.996
49 3HZ LYS 8 2HZ LYS 8 -6.747 -3.030 -19.395
50 H ALA 9 H ALA 9 -9.411 -4.456 -16.896
51 HA ALA 9 HA ALA 9 -8.290 -7.158 -16.787
52 1HB ALA 9 2HB ALA 9 -7.369 -4.454 -16.081
53 2HB ALA 9 1HB ALA 9 -6.882 -5.720 -14.952
54 3HB ALA 9 3HB ALA 9 -6.455 -5.847 -16.660
55 H ALA 10 H ALA 10 -9.336 -4.726 -14.388
56 HA ALA 10 HA ALA 10 -9.401 -6.244 -12.118
57 1HB ALA 10 2HB ALA 10 -10.924 -3.904 -13.086
58 2HB ALA 10 1HB ALA 10 -11.628 -4.774 -11.723
59 3HB ALA 10 3HB ALA 10 -9.995 -4.115 -11.601
60 H PHE 11 H PHE 11 -11.616 -6.380 -14.807
61 HA PHE 11 HA PHE 11 -13.691 -7.843 -13.516
62 1HB PHE 11 2HB PHE 11 -13.911 -6.550 -15.649
63 2HB PHE 11 1HB PHE 11 -12.985 -7.814 -16.448
64 HD1 PHE 11 HD1 PHE 11 -14.999 -9.235 -13.898
65 HD2 PHE 11 HD2 PHE 11 -15.202 -7.712 -17.895
66 HE1 PHE 11 HE1 PHE 11 -17.075 -10.501 -14.284
67 HE2 PHE 11 HE2 PHE 11 -17.274 -8.981 -18.265
68 HZ PHE 11 HZ PHE 11 -18.211 -10.375 -16.465
69 H ASN 12 H ASN 12 -10.801 -8.769 -15.320
70 HA ASN 12 HA ASN 12 -11.442 -11.599 -15.156
71 1HB ASN 12 2HB ASN 12 -10.085 -10.196 -16.987
72 2HB ASN 12 1HB ASN 12 -8.738 -10.697 -15.964
73 1HD2 ASN 12 1HD2 ASN 12 -10.681 -11.582 -18.507
74 2HD2 ASN 12 2HD2 ASN 12 -10.381 -13.285 -18.514
75 H SER 13 H SER 13 -10.491 -9.550 -12.846
76 HA SER 13 HA SER 13 -8.361 -11.218 -11.723
77 1HB SER 13 2HB SER 13 -8.524 -8.583 -11.746
78 2HB SER 13 1HB SER 13 -9.483 -8.852 -10.299
79 HG SER 13 HG SER 13 -7.090 -8.619 -10.054
80 H LEU 14 H LEU 14 -11.684 -10.231 -11.169
81 HA LEU 14 HA LEU 14 -12.139 -11.186 -8.615
82 1HB LEU 14 2HB LEU 14 -13.778 -9.954 -10.034
83 2HB LEU 14 1HB LEU 14 -14.053 -11.436 -10.938
84 HG LEU 14 HG LEU 14 -14.909 -12.535 -9.014
85 1HD1 LEU 14 2HD1 LEU 14 -14.085 -10.094 -7.449
86 2HD1 LEU 14 1HD1 LEU 14 -15.121 -11.372 -6.814
87 3HD1 LEU 14 3HD1 LEU 14 -13.459 -11.736 -7.283
88 1HD2 LEU 14 2HD2 LEU 14 -16.370 -10.837 -10.261
89 2HD2 LEU 14 1HD2 LEU 14 -16.932 -11.408 -8.690
90 3HD2 LEU 14 3HD2 LEU 14 -16.176 -9.821 -8.830
91 H GLN 15 H GLN 15 -11.553 -12.947 -11.523
92 HA GLN 15 HA GLN 15 -12.553 -15.476 -10.555
93 1HB GLN 15 2HB GLN 15 -12.455 -14.852 -12.974
94 2HB GLN 15 1HB GLN 15 -10.698 -14.919 -12.874
95 1HG GLN 15 2HG GLN 15 -10.994 -17.069 -13.525
96 2HG GLN 15 1HG GLN 15 -11.350 -17.337 -11.819
97 1HE2 GLN 15 2HD2 GLN 15 -14.899 -17.484 -12.317
98 2HE2 GLN 15 1HD2 GLN 15 -13.694 -16.908 -11.220
99 H ALA 16 H ALA 16 -9.554 -13.713 -10.534
100 HA ALA 16 HA ALA 16 -7.763 -15.832 -9.993
101 1HB ALA 16 2HB ALA 16 -7.677 -12.975 -10.185
102 2HB ALA 16 1HB ALA 16 -6.850 -13.476 -8.709
103 3HB ALA 16 3HB ALA 16 -6.342 -14.129 -10.268
104 H SER 17 H SER 17 -10.100 -14.209 -8.043
105 HA SER 17 HA SER 17 -9.017 -14.496 -5.481
106 1HB SER 17 2HB SER 17 -11.544 -13.816 -6.627
107 2HB SER 17 1HB SER 17 -11.807 -14.967 -5.322
108 HG SER 17 HG SER 17 -10.380 -13.540 -4.055
109 H ALA 18 H ALA 18 -10.591 -16.827 -7.572
110 HA ALA 18 HA ALA 18 -11.330 -18.831 -5.842
111 1HB ALA 18 1HB ALA 18 -11.409 -18.695 -8.443
112 2HB ALA 18 3HB ALA 18 -9.852 -19.523 -8.356
113 3HB ALA 18 2HB ALA 18 -11.292 -20.275 -7.663
114 H THR 19 H THR 19 -8.092 -17.962 -6.889
115 HA THR 19 HA THR 19 -6.689 -20.220 -6.008
116 HB THR 19 HB THR 19 -5.457 -17.542 -5.707
117 HG1 THR 19 HG1 THR 19 -5.917 -18.605 -8.275
118 1HG2 THR 19 3HG2 THR 19 -4.230 -19.737 -5.512
119 2HG2 THR 19 2HG2 THR 19 -4.538 -19.972 -7.233
120 3HG2 THR 19 1HG2 THR 19 -3.564 -18.604 -6.690
121 H GLU 20 H GLU 20 -7.784 -17.369 -4.231
122 HA GLU 20 HA GLU 20 -6.319 -17.737 -1.879
123 1HB GLU 20 2HB GLU 20 -8.788 -16.298 -2.674
124 2HB GLU 20 1HB GLU 20 -8.502 -16.538 -0.965
125 1HG GLU 20 2HG GLU 20 -6.319 -15.464 -1.143
126 2HG GLU 20 1HG GLU 20 -6.536 -15.283 -2.883
127 H TYR 21 H TYR 21 -8.862 -19.625 -3.164
128 HA TYR 21 HA TYR 21 -9.778 -20.591 -0.572
129 1HB TYR 21 2HB TYR 21 -10.660 -20.843 -3.383
130 2HB TYR 21 1HB TYR 21 -10.975 -22.226 -2.344
131 HD1 TYR 21 HD2 TYR 21 -11.642 -18.647 -2.885
132 HD2 TYR 21 HD1 TYR 21 -12.592 -22.112 -0.583
133 HE1 TYR 21 HE2 TYR 21 -13.609 -17.490 -1.952
134 HE2 TYR 21 HE1 TYR 21 -14.558 -20.953 0.348
135 HH TYR 21 HH TYR 21 -15.370 -18.704 0.710
136 H ILE 22 H ILE 22 -7.969 -21.791 -3.381
137 HA ILE 22 HA ILE 22 -7.606 -24.417 -2.355
138 HB ILE 22 HB ILE 22 -6.243 -22.792 -4.501
139 1HG1 ILE 22 2HG1 ILE 22 -8.188 -25.118 -4.698
140 2HG1 ILE 22 1HG1 ILE 22 -8.601 -23.403 -4.931
141 1HG2 ILE 22 3HG2 ILE 22 -4.689 -24.466 -3.616
142 2HG2 ILE 22 2HG2 ILE 22 -5.865 -25.734 -3.969
143 3HG2 ILE 22 1HG2 ILE 22 -5.156 -24.795 -5.282
144 1HD1 ILE 22 1HD1 ILE 22 -6.449 -24.776 -6.571
145 2HD1 ILE 22 3HD1 ILE 22 -8.148 -24.818 -7.049
146 3HD1 ILE 22 2HD1 ILE 22 -7.302 -23.272 -6.929
147 H GLY 23 H GLY 23 -6.041 -21.372 -1.848
148 1HA GLY 23 2HA GLY 23 -3.621 -22.572 -0.735
149 2HA GLY 23 1HA GLY 23 -3.950 -20.848 -0.915
150 H TYR 24 H TYR 24 -5.846 -23.416 0.647
151 HA TYR 24 HA TYR 24 -5.581 -21.979 3.215
152 1HB TYR 24 2HB TYR 24 -7.981 -22.718 1.692
153 2HB TYR 24 1HB TYR 24 -8.027 -23.175 3.390
154 HD1 TYR 24 HD1 TYR 24 -6.986 -20.242 1.313
155 HD2 TYR 24 HD2 TYR 24 -8.950 -21.641 4.835
156 HE1 TYR 24 HE1 TYR 24 -7.566 -17.925 1.913
157 HE2 TYR 24 HE2 TYR 24 -9.527 -19.324 5.432
158 HH TYR 24 HH TYR 24 -9.714 -16.940 3.593
159 H ALA 25 H ALA 25 -4.172 -24.335 2.083
160 HA ALA 25 HA ALA 25 -5.054 -26.400 4.009
161 1HB ALA 25 2HB ALA 25 -4.078 -26.519 1.238
162 2HB ALA 25 1HB ALA 25 -3.258 -27.644 2.323
163 3HB ALA 25 3HB ALA 25 -5.015 -27.707 2.149
164 H TRP 26 H TRP 26 -2.028 -25.355 2.408
165 HA TRP 26 HA TRP 26 -0.236 -26.357 4.243
166 1HB TRP 26 2HB TRP 26 -0.030 -23.804 2.646
167 2HB TRP 26 1HB TRP 26 1.304 -24.714 3.332
168 HD1 TRP 26 1HD TRP 26 -0.360 -24.264 0.127
169 HE1 TRP 26 1HE TRP 26 0.073 -26.247 -1.420
170 HE3 TRP 26 3HE TRP 26 1.455 -27.663 3.507
171 HZ2 TRP 26 2HZ TRP 26 1.038 -28.879 -1.284
172 HZ3 TRP 26 3HZ TRP 26 2.115 -29.901 2.723
173 HH2 TRP 26 HH2 TRP 26 1.910 -30.507 0.349
174 H ALA 27 H ALA 27 -2.066 -23.352 4.279
175 HA ALA 27 HA ALA 27 -0.750 -22.165 6.506
176 1HB ALA 27 2HB ALA 27 -2.248 -21.019 4.787
177 2HB ALA 27 1HB ALA 27 -3.612 -21.675 5.695
178 3HB ALA 27 3HB ALA 27 -2.489 -20.558 6.474
179 H MET 28 H MET 28 -3.510 -24.331 6.145
180 HA MET 28 HA MET 28 -4.386 -24.215 8.834
181 1HB MET 28 2HB MET 28 -5.687 -25.069 6.824
182 2HB MET 28 1HB MET 28 -4.675 -26.506 6.876
183 1HG MET 28 2HG MET 28 -6.972 -26.631 7.986
184 2HG MET 28 1HG MET 28 -5.596 -27.245 8.879
185 1HE MET 28 1HE MET 28 -8.739 -25.819 9.281
186 2HE MET 28 3HE MET 28 -8.667 -24.385 10.316
187 3HE MET 28 2HE MET 28 -8.261 -24.263 8.606
188 H VAL 29 H VAL 29 -2.036 -26.103 7.055
189 HA VAL 29 HA VAL 29 -1.471 -28.010 9.112
190 HB VAL 29 HB VAL 29 0.164 -27.111 6.738
191 1HG1 VAL 29 2HG1 VAL 29 0.508 -29.373 8.690
192 2HG1 VAL 29 1HG1 VAL 29 1.204 -29.426 7.068
193 3HG1 VAL 29 3HG1 VAL 29 1.685 -28.155 8.194
194 1HG2 VAL 29 3HG2 VAL 29 -2.063 -28.082 6.201
195 2HG2 VAL 29 2HG2 VAL 29 -0.713 -29.047 5.601
196 3HG2 VAL 29 1HG2 VAL 29 -1.585 -29.553 7.051
197 H VAL 30 H VAL 30 0.074 -25.024 7.976
198 HA VAL 30 HA VAL 30 2.248 -24.931 9.713
199 HB VAL 30 HB VAL 30 0.554 -22.698 8.609
200 1HG1 VAL 30 2HG1 VAL 30 2.513 -22.527 10.607
201 2HG1 VAL 30 1HG1 VAL 30 3.291 -21.972 9.122
202 3HG1 VAL 30 3HG1 VAL 30 1.806 -21.201 9.679
203 1HG2 VAL 30 3HG2 VAL 30 2.462 -24.475 7.426
204 2HG2 VAL 30 2HG2 VAL 30 1.519 -23.190 6.667
205 3HG2 VAL 30 1HG2 VAL 30 3.090 -22.826 7.385
206 H VAL 31 H VAL 31 -1.085 -23.880 10.141
207 HA VAL 31 HA VAL 31 -0.887 -22.703 12.677
208 HB VAL 31 HB VAL 31 -2.971 -23.741 10.904
209 1HG1 VAL 31 2HG1 VAL 31 -3.504 -23.790 13.874
210 2HG1 VAL 31 1HG1 VAL 31 -4.754 -23.821 12.627
211 3HG1 VAL 31 3HG1 VAL 31 -3.597 -25.151 12.753
212 1HG2 VAL 31 1HG2 VAL 31 -2.712 -21.416 12.799
213 2HG2 VAL 31 3HG2 VAL 31 -2.609 -21.406 11.036
214 3HG2 VAL 31 2HG2 VAL 31 -4.156 -21.713 11.827
215 H ILE 32 H ILE 32 -1.864 -25.985 11.788
216 HA ILE 32 HA ILE 32 -2.020 -27.141 14.299
217 HB ILE 32 HB ILE 32 -1.324 -28.189 11.583
218 1HG1 ILE 32 2HG1 ILE 32 -3.765 -28.567 13.307
219 2HG1 ILE 32 1HG1 ILE 32 -3.611 -27.391 12.007
220 1HG2 ILE 32 3HG2 ILE 32 -0.237 -29.675 13.224
221 2HG2 ILE 32 2HG2 ILE 32 -1.783 -29.878 14.049
222 3HG2 ILE 32 1HG2 ILE 32 -1.576 -30.476 12.401
223 1HD1 ILE 32 1HD1 ILE 32 -3.083 -30.288 11.464
224 2HD1 ILE 32 3HD1 ILE 32 -4.741 -29.685 11.511
225 3HD1 ILE 32 2HD1 ILE 32 -3.592 -29.019 10.345
226 H VAL 33 H VAL 33 0.798 -26.854 12.138
227 HA VAL 33 HA VAL 33 2.617 -28.245 13.739
228 HB VAL 33 HB VAL 33 3.027 -26.085 11.682
229 1HG1 VAL 33 1HG1 VAL 33 4.908 -27.318 13.475
230 2HG1 VAL 33 3HG1 VAL 33 5.291 -27.721 11.801
231 3HG1 VAL 33 2HG1 VAL 33 5.164 -26.032 12.296
232 1HG2 VAL 33 1HG2 VAL 33 1.947 -28.405 11.147
233 2HG2 VAL 33 3HG2 VAL 33 3.200 -27.750 10.092
234 3HG2 VAL 33 2HG2 VAL 33 3.607 -28.989 11.281
235 H GLY 34 H GLY 34 2.405 -24.725 13.230
236 1HA GLY 34 2HA GLY 34 4.164 -23.851 15.148
237 2HA GLY 34 1HA GLY 34 2.725 -22.953 14.669
238 H ALA 35 H ALA 35 0.684 -24.458 15.606
239 HA ALA 35 HA ALA 35 0.526 -23.784 18.318
240 1HB ALA 35 1HB ALA 35 -1.089 -25.424 16.438
241 2HB ALA 35 3HB ALA 35 -1.381 -25.648 18.164
242 3HB ALA 35 2HB ALA 35 -1.567 -24.050 17.438
243 H THR 36 H THR 36 1.663 -26.680 16.736
244 HA THR 36 HA THR 36 1.648 -28.354 19.059
245 HB THR 36 HB THR 36 3.230 -28.598 16.499
246 HG1 THR 36 HG1 THR 36 1.414 -30.198 16.176
247 1HG2 THR 36 1HG2 THR 36 2.604 -30.573 18.692
248 2HG2 THR 36 3HG2 THR 36 3.208 -31.037 17.101
249 3HG2 THR 36 2HG2 THR 36 4.194 -30.023 18.157
250 H ILE 37 H ILE 37 3.837 -26.014 17.715
251 HA ILE 37 HA ILE 37 6.205 -26.843 19.014
252 HB ILE 37 HB ILE 37 5.330 -24.195 17.949
253 1HG1 ILE 37 2HG1 ILE 37 5.585 -26.352 16.521
254 2HG1 ILE 37 1HG1 ILE 37 6.244 -24.836 15.960
255 1HG2 ILE 37 2HG2 ILE 37 8.008 -25.080 18.991
256 2HG2 ILE 37 1HG2 ILE 37 7.811 -23.716 17.888
257 3HG2 ILE 37 3HG2 ILE 37 7.056 -23.678 19.483
258 1HD1 ILE 37 3HD1 ILE 37 7.865 -26.823 17.509
259 2HD1 ILE 37 2HD1 ILE 37 7.757 -26.857 15.748
260 3HD1 ILE 37 1HD1 ILE 37 8.449 -25.454 16.568
261 H GLY 38 H GLY 38 3.667 -24.520 19.887
262 1HA GLY 38 2HA GLY 38 4.882 -23.497 22.213
263 2HA GLY 38 1HA GLY 38 3.152 -23.466 21.869
264 H ILE 39 H ILE 39 3.545 -26.579 21.625
265 HA ILE 39 HA ILE 39 2.878 -27.091 24.413
266 HB ILE 39 HB ILE 39 2.949 -28.917 22.012
267 1HG1 ILE 39 2HG1 ILE 39 0.652 -27.539 23.417
268 2HG1 ILE 39 1HG1 ILE 39 1.262 -27.173 21.805
269 1HG2 ILE 39 3HG2 ILE 39 2.035 -29.335 24.858
270 2HG2 ILE 39 2HG2 ILE 39 1.488 -30.358 23.528
271 3HG2 ILE 39 1HG2 ILE 39 3.204 -30.287 23.940
272 1HD1 ILE 39 2HD1 ILE 39 0.768 -29.701 21.341
273 2HD1 ILE 39 1HD1 ILE 39 -0.293 -29.558 22.744
274 3HD1 ILE 39 3HD1 ILE 39 -0.559 -28.538 21.329
275 H LYS 40 H LYS 40 5.562 -27.314 22.285
276 HA LYS 40 HA LYS 40 6.982 -29.318 23.824
277 1HB LYS 40 2HB LYS 40 7.264 -29.175 21.389
278 2HB LYS 40 1HB LYS 40 7.897 -27.540 21.558
279 1HG LYS 40 2HG LYS 40 9.271 -29.481 23.257
280 2HG LYS 40 1HG LYS 40 9.396 -29.857 21.541
281 1HD LYS 40 2HD LYS 40 10.561 -27.924 21.061
282 2HD LYS 40 1HD LYS 40 9.872 -27.044 22.422
283 1HE LYS 40 2HE LYS 40 11.819 -27.425 23.470
284 2HE LYS 40 1HE LYS 40 11.273 -29.091 23.640
285 1HZ LYS 40 2HZ LYS 40 12.858 -28.031 21.364
286 2HZ LYS 40 1HZ LYS 40 13.485 -28.936 22.658
287 3HZ LYS 40 3HZ LYS 40 12.379 -29.645 21.586
288 H LEU 41 H LEU 41 6.924 -25.808 23.456
289 HA LEU 41 HA LEU 41 9.300 -25.284 24.914
290 1HB LEU 41 2HB LEU 41 8.491 -22.996 25.071
291 2HB LEU 41 1HB LEU 41 8.277 -23.595 23.435
292 HG LEU 41 HG LEU 41 5.881 -24.151 24.226
293 1HD1 LEU 41 1HD1 LEU 41 6.916 -23.008 26.620
294 2HD1 LEU 41 3HD1 LEU 41 5.695 -21.911 25.975
295 3HD1 LEU 41 2HD1 LEU 41 5.284 -23.596 26.303
296 1HD2 LEU 41 3HD2 LEU 41 6.650 -22.326 22.643
297 2HD2 LEU 41 2HD2 LEU 41 5.121 -22.027 23.473
298 3HD2 LEU 41 1HD2 LEU 41 6.595 -21.228 24.025
299 H PHE 42 H PHE 42 5.964 -25.598 25.800
300 HA PHE 42 HA PHE 42 6.045 -24.785 28.468
301 1HB PHE 42 2HB PHE 42 4.075 -25.585 26.889
302 2HB PHE 42 1HB PHE 42 4.348 -27.113 27.715
303 HD1 PHE 42 HD1 PHE 42 4.212 -27.177 30.229
304 HD2 PHE 42 HD2 PHE 42 2.917 -23.812 27.938
305 HE1 PHE 42 HE1 PHE 42 2.893 -26.374 32.150
306 HE2 PHE 42 HE2 PHE 42 1.600 -23.013 29.860
307 HZ PHE 42 HZ PHE 42 1.589 -24.292 31.966
308 H LYS 43 H LYS 43 7.137 -27.743 26.970
309 HA LYS 43 HA LYS 43 7.414 -29.161 29.476
310 1HB LYS 43 2HB LYS 43 7.045 -30.755 27.908
311 2HB LYS 43 1HB LYS 43 7.677 -29.762 26.605
312 1HG LYS 43 2HG LYS 43 9.820 -30.465 26.922
313 2HG LYS 43 1HG LYS 43 9.575 -30.884 28.612
314 1HD LYS 43 2HD LYS 43 9.646 -32.987 27.668
315 2HD LYS 43 1HD LYS 43 7.916 -32.655 27.622
316 1HE LYS 43 2HE LYS 43 8.159 -33.284 25.446
317 2HE LYS 43 1HE LYS 43 8.624 -31.595 25.257
318 1HZ LYS 43 3HZ LYS 43 10.950 -32.710 25.938
319 2HZ LYS 43 2HZ LYS 43 10.232 -33.993 25.087
320 3HZ LYS 43 1HZ LYS 43 10.443 -32.484 24.336
321 H LYS 44 H LYS 44 9.342 -27.085 27.470
322 HA LYS 44 HA LYS 44 11.825 -27.840 28.802
323 1HB LYS 44 2HB LYS 44 11.137 -25.960 26.556
324 2HB LYS 44 1HB LYS 44 12.724 -25.948 27.320
325 1HG LYS 44 2HG LYS 44 12.508 -28.592 26.894
326 2HG LYS 44 1HG LYS 44 11.488 -28.024 25.571
327 1HD LYS 44 2HD LYS 44 13.544 -28.017 24.519
328 2HD LYS 44 1HD LYS 44 13.500 -26.354 25.121
329 1HE LYS 44 2HE LYS 44 15.041 -28.731 26.200
330 2HE LYS 44 1HE LYS 44 15.661 -27.157 25.715
331 1HZ LYS 44 3HZ LYS 44 13.881 -27.613 28.050
332 2HZ LYS 44 2HZ LYS 44 15.572 -27.479 28.136
333 3HZ LYS 44 1HZ LYS 44 14.638 -26.158 27.617
334 H PHE 45 H PHE 45 9.287 -25.558 29.141
335 HA PHE 45 HA PHE 45 10.934 -23.746 30.766
336 1HB PHE 45 2HB PHE 45 9.394 -22.830 29.021
337 2HB PHE 45 1HB PHE 45 8.041 -23.465 29.951
338 HD1 PHE 45 HD1 PHE 45 11.150 -21.852 31.197
339 HD2 PHE 45 HD2 PHE 45 6.926 -21.543 30.665
340 HE1 PHE 45 HE1 PHE 45 11.130 -19.797 32.558
341 HE2 PHE 45 HE2 PHE 45 6.905 -19.488 32.027
342 HZ PHE 45 HZ PHE 45 9.007 -18.616 32.974
343 H THR 46 H THR 46 9.998 -26.527 31.519
344 HA THR 46 HA THR 46 8.291 -25.916 33.818
345 HB THR 46 HB THR 46 8.775 -28.645 33.796
346 HG1 THR 46 HG1 THR 46 8.170 -27.900 31.143
347 1HG2 THR 46 3HG2 THR 46 6.632 -27.451 34.203
348 2HG2 THR 46 2HG2 THR 46 6.484 -27.199 32.462
349 3HG2 THR 46 1HG2 THR 46 6.465 -28.836 33.122
350 H SER 47 H SER 47 11.117 -25.148 33.655
351 HA SER 47 HA SER 47 12.174 -26.742 35.913
352 1HB SER 47 2HB SER 47 13.350 -26.607 33.509
353 2HB SER 47 1HB SER 47 14.031 -25.154 34.229
354 HG SER 47 HG SER 47 15.146 -26.365 35.605
355 H LYS 48 H LYS 48 13.992 -25.329 37.024
356 HA LYS 48 HA LYS 48 14.192 -23.702 38.654
357 1HB LYS 48 2HB LYS 48 13.900 -22.168 36.087
358 2HB LYS 48 1HB LYS 48 14.482 -21.455 37.590
359 1HG LYS 48 2HG LYS 48 15.751 -23.818 36.188
360 2HG LYS 48 1HG LYS 48 16.304 -22.157 36.022
361 1HD LYS 48 2HD LYS 48 16.507 -24.006 38.374
362 2HD LYS 48 1HD LYS 48 17.739 -22.986 37.650
363 1HE LYS 48 2HE LYS 48 16.624 -20.988 38.576
364 2HE LYS 48 1HE LYS 48 15.399 -22.019 39.310
365 1HZ LYS 48 2HZ LYS 48 18.308 -22.094 39.901
366 2HZ LYS 48 1HZ LYS 48 17.111 -21.405 40.891
367 3HZ LYS 48 3HZ LYS 48 17.123 -23.078 40.618
368 H ALA 49 H ALA 49 12.068 -24.277 39.593
369 HA ALA 49 HA ALA 49 9.624 -23.156 39.050
370 1HB ALA 49 3HB ALA 49 10.819 -24.584 41.147
371 2HB ALA 49 2HB ALA 49 10.074 -23.166 41.892
372 3HB ALA 49 1HB ALA 49 9.097 -24.266 40.913
373 H SER 50 H SER 50 9.207 -21.093 38.632
374 HA SER 50 HA SER 50 10.714 -18.901 39.642
375 1HB SER 50 2HB SER 50 8.423 -19.304 37.867
376 2HB SER 50 1HB SER 50 8.335 -17.817 38.802
377 HG SER 50 HG SER 50 10.220 -17.136 37.890
No H/Q in entry = 377
Start of MODEL 6
1 1H ALA 1 1H ALA 1 -38.732 -6.673 15.328
2 2H ALA 1 3H ALA 1 -39.037 -8.267 14.837
3 3H ALA 1 2H ALA 1 -39.806 -7.644 16.217
4 HA ALA 1 HA ALA 1 -38.076 -9.059 16.952
5 1HB ALA 1 3HB ALA 1 -36.580 -7.674 14.800
6 2HB ALA 1 2HB ALA 1 -35.672 -8.072 16.259
7 3HB ALA 1 1HB ALA 1 -36.482 -9.349 15.349
8 H GLU 2 H GLU 2 -38.588 -8.196 18.907
9 HA GLU 2 HA GLU 2 -38.277 -5.537 19.723
10 1HB GLU 2 2HB GLU 2 -38.391 -6.426 22.016
11 2HB GLU 2 1HB GLU 2 -39.616 -7.147 20.976
12 1HG GLU 2 2HG GLU 2 -38.843 -9.176 21.511
13 2HG GLU 2 1HG GLU 2 -37.296 -8.764 20.770
14 H GLY 3 H GLY 3 -36.449 -4.412 19.709
15 1HA GLY 3 2HA GLY 3 -33.899 -5.138 19.393
16 2HA GLY 3 1HA GLY 3 -34.342 -3.740 20.355
17 H ASP 4 H ASP 4 -32.070 -5.407 20.749
18 HA ASP 4 HA ASP 4 -32.567 -6.287 23.512
19 1HB ASP 4 2HB ASP 4 -31.840 -7.933 21.235
20 2HB ASP 4 1HB ASP 4 -30.645 -8.039 22.532
21 H ASP 5 H ASP 5 -29.800 -6.585 21.367
22 HA ASP 5 HA ASP 5 -28.340 -4.367 22.266
23 1HB ASP 5 2HB ASP 5 -28.336 -5.758 24.341
24 2HB ASP 5 1HB ASP 5 -27.538 -7.033 23.422
25 HA PRO 6 HA PRO 6 -26.570 -5.643 18.384
26 1HB PRO 6 2HB PRO 6 -24.402 -3.982 18.418
27 2HB PRO 6 1HB PRO 6 -26.041 -3.473 17.976
28 1HG PRO 6 2HG PRO 6 -24.622 -3.193 20.594
29 2HG PRO 6 1HG PRO 6 -25.622 -2.008 19.726
30 1HD PRO 6 2HD PRO 6 -26.628 -3.411 21.784
31 2HD PRO 6 1HD PRO 6 -27.625 -3.037 20.362
32 H ALA 7 H ALA 7 -25.116 -5.983 21.455
33 HA ALA 7 HA ALA 7 -22.634 -7.151 20.788
34 1HB ALA 7 1HB ALA 7 -24.473 -7.515 23.163
35 2HB ALA 7 3HB ALA 7 -22.837 -8.178 23.073
36 3HB ALA 7 2HB ALA 7 -23.084 -6.429 23.050
37 H LYS 8 H LYS 8 -25.912 -8.294 20.811
38 HA LYS 8 HA LYS 8 -25.725 -11.016 21.011
39 1HB LYS 8 2HB LYS 8 -27.754 -11.139 19.727
40 2HB LYS 8 1HB LYS 8 -27.811 -9.691 20.730
41 1HG LYS 8 2HG LYS 8 -27.863 -8.318 18.949
42 2HG LYS 8 1HG LYS 8 -26.641 -9.235 18.080
43 1HD LYS 8 2HD LYS 8 -28.192 -10.642 17.095
44 2HD LYS 8 1HD LYS 8 -29.377 -10.401 18.373
45 1HE LYS 8 2HE LYS 8 -29.601 -9.284 15.938
46 2HE LYS 8 1HE LYS 8 -30.254 -8.541 17.392
47 1HZ LYS 8 1HZ LYS 8 -27.526 -7.969 16.391
48 2HZ LYS 8 3HZ LYS 8 -28.883 -7.076 15.903
49 3HZ LYS 8 2HZ LYS 8 -28.424 -7.096 17.538
50 H ALA 9 H ALA 9 -24.559 -9.013 18.423
51 HA ALA 9 HA ALA 9 -24.461 -10.641 16.231
52 1HB ALA 9 1HB ALA 9 -22.292 -8.823 17.286
53 2HB ALA 9 3HB ALA 9 -22.318 -9.507 15.659
54 3HB ALA 9 2HB ALA 9 -23.589 -8.392 16.168
55 H ALA 10 H ALA 10 -22.670 -10.982 19.197
56 HA ALA 10 HA ALA 10 -20.620 -12.708 18.348
57 1HB ALA 10 2HB ALA 10 -22.026 -12.552 21.021
58 2HB ALA 10 1HB ALA 10 -20.505 -13.395 20.720
59 3HB ALA 10 3HB ALA 10 -20.593 -11.642 20.539
60 H PHE 11 H PHE 11 -23.930 -13.360 19.424
61 HA PHE 11 HA PHE 11 -23.762 -16.168 19.509
62 1HB PHE 11 2HB PHE 11 -25.618 -14.769 20.436
63 2HB PHE 11 1HB PHE 11 -26.181 -14.516 18.789
64 HD1 PHE 11 HD1 PHE 11 -24.789 -17.768 19.126
65 HD2 PHE 11 HD2 PHE 11 -28.332 -15.509 19.962
66 HE1 PHE 11 HE1 PHE 11 -26.093 -19.850 19.265
67 HE2 PHE 11 HE2 PHE 11 -29.621 -17.598 20.093
68 HZ PHE 11 HZ PHE 11 -28.506 -19.766 19.747
69 H ASN 12 H ASN 12 -24.557 -13.939 16.883
70 HA ASN 12 HA ASN 12 -24.953 -16.126 15.001
71 1HB ASN 12 2HB ASN 12 -25.973 -13.573 15.199
72 2HB ASN 12 1HB ASN 12 -24.798 -13.429 13.891
73 1HD2 ASN 12 2HD2 ASN 12 -27.925 -14.448 12.298
74 2HD2 ASN 12 1HD2 ASN 12 -27.278 -13.071 13.118
75 H SER 13 H SER 13 -22.245 -15.010 16.307
76 HA SER 13 HA SER 13 -20.732 -14.739 13.803
77 1HB SER 13 2HB SER 13 -20.544 -13.242 15.991
78 2HB SER 13 1HB SER 13 -19.420 -14.509 16.458
79 HG SER 13 HG SER 13 -19.093 -12.490 14.678
80 H LEU 14 H LEU 14 -21.078 -16.739 16.666
81 HA LEU 14 HA LEU 14 -18.869 -18.373 16.531
82 1HB LEU 14 2HB LEU 14 -20.466 -18.588 18.322
83 2HB LEU 14 1HB LEU 14 -21.721 -19.105 17.207
84 HG LEU 14 HG LEU 14 -20.588 -21.146 16.768
85 1HD1 LEU 14 1HD1 LEU 14 -18.280 -20.205 16.785
86 2HD1 LEU 14 3HD1 LEU 14 -18.323 -20.259 18.549
87 3HD1 LEU 14 2HD1 LEU 14 -18.426 -21.753 17.618
88 1HD2 LEU 14 2HD2 LEU 14 -21.835 -20.790 19.017
89 2HD2 LEU 14 1HD2 LEU 14 -20.883 -22.255 18.780
90 3HD2 LEU 14 3HD2 LEU 14 -20.223 -20.922 19.727
91 H GLN 15 H GLN 15 -21.565 -18.215 14.378
92 HA GLN 15 HA GLN 15 -20.989 -20.728 13.053
93 1HB GLN 15 2HB GLN 15 -23.271 -19.386 13.311
94 2HB GLN 15 1HB GLN 15 -22.718 -18.649 11.811
95 1HG GLN 15 2HG GLN 15 -22.345 -21.054 10.984
96 2HG GLN 15 1HG GLN 15 -23.337 -21.534 12.362
97 1HE2 GLN 15 2HD2 GLN 15 -26.029 -21.204 10.101
98 2HE2 GLN 15 1HD2 GLN 15 -24.970 -22.297 10.927
99 H ALA 16 H ALA 16 -20.306 -17.322 12.628
100 HA ALA 16 HA ALA 16 -19.256 -17.594 9.956
101 1HB ALA 16 2HB ALA 16 -19.185 -15.346 11.976
102 2HB ALA 16 1HB ALA 16 -18.501 -15.230 10.351
103 3HB ALA 16 3HB ALA 16 -20.235 -15.486 10.563
104 H SER 17 H SER 17 -18.062 -18.020 13.150
105 HA SER 17 HA SER 17 -15.323 -17.420 12.738
106 1HB SER 17 2HB SER 17 -16.662 -17.814 14.931
107 2HB SER 17 1HB SER 17 -16.271 -19.508 14.663
108 HG SER 17 HG SER 17 -14.023 -18.770 14.506
109 H ALA 18 H ALA 18 -17.224 -19.937 11.501
110 HA ALA 18 HA ALA 18 -15.132 -21.940 11.443
111 1HB ALA 18 2HB ALA 18 -17.984 -21.788 10.752
112 2HB ALA 18 1HB ALA 18 -17.025 -22.819 9.689
113 3HB ALA 18 3HB ALA 18 -17.050 -23.124 11.427
114 H THR 19 H THR 19 -16.901 -20.081 8.967
115 HA THR 19 HA THR 19 -15.608 -20.860 6.691
116 HB THR 19 HB THR 19 -16.051 -17.953 6.960
117 HG1 THR 19 HG1 THR 19 -18.237 -18.180 7.219
118 1HG2 THR 19 3HG2 THR 19 -15.676 -19.367 4.819
119 2HG2 THR 19 2HG2 THR 19 -17.366 -19.833 5.029
120 3HG2 THR 19 1HG2 THR 19 -16.938 -18.134 4.815
121 H GLU 20 H GLU 20 -14.467 -18.437 9.017
122 HA GLU 20 HA GLU 20 -12.277 -17.488 7.612
123 1HB GLU 20 2HB GLU 20 -11.642 -16.495 9.600
124 2HB GLU 20 1HB GLU 20 -13.373 -16.666 9.773
125 1HG GLU 20 2HG GLU 20 -12.852 -18.870 10.977
126 2HG GLU 20 1HG GLU 20 -11.194 -18.284 11.086
127 H TYR 21 H TYR 21 -12.528 -20.304 9.736
128 HA TYR 21 HA TYR 21 -9.698 -20.906 9.411
129 1HB TYR 21 2HB TYR 21 -11.918 -22.209 10.975
130 2HB TYR 21 1HB TYR 21 -10.280 -22.840 10.908
131 HD1 TYR 21 HD2 TYR 21 -8.450 -20.848 11.313
132 HD2 TYR 21 HD1 TYR 21 -12.430 -20.994 12.847
133 HE1 TYR 21 HE2 TYR 21 -7.803 -19.328 13.144
134 HE2 TYR 21 HE1 TYR 21 -11.780 -19.475 14.676
135 HH TYR 21 HH TYR 21 -9.847 -17.627 14.936
136 H ILE 22 H ILE 22 -12.834 -22.278 8.441
137 HA ILE 22 HA ILE 22 -12.003 -24.695 7.403
138 HB ILE 22 HB ILE 22 -14.162 -22.766 6.561
139 1HG1 ILE 22 2HG1 ILE 22 -14.292 -25.391 8.087
140 2HG1 ILE 22 1HG1 ILE 22 -14.414 -23.765 8.802
141 1HG2 ILE 22 3HG2 ILE 22 -13.552 -24.169 4.646
142 2HG2 ILE 22 2HG2 ILE 22 -13.860 -25.610 5.615
143 3HG2 ILE 22 1HG2 ILE 22 -15.178 -24.502 5.235
144 1HD1 ILE 22 3HD1 ILE 22 -16.293 -24.562 6.583
145 2HD1 ILE 22 2HD1 ILE 22 -16.601 -25.138 8.223
146 3HD1 ILE 22 1HD1 ILE 22 -16.544 -23.404 7.892
147 H GLY 23 H GLY 23 -11.547 -21.476 6.185
148 1HA GLY 23 2HA GLY 23 -10.476 -22.507 3.643
149 2HA GLY 23 1HA GLY 23 -10.901 -20.826 3.973
150 H TYR 24 H TYR 24 -9.211 -22.552 6.430
151 HA TYR 24 HA TYR 24 -6.710 -21.123 5.757
152 1HB TYR 24 2HB TYR 24 -8.217 -21.472 8.287
153 2HB TYR 24 1HB TYR 24 -6.466 -21.561 8.393
154 HD1 TYR 24 HD1 TYR 24 -8.358 -19.456 6.013
155 HD2 TYR 24 HD2 TYR 24 -6.079 -19.572 9.613
156 HE1 TYR 24 HE1 TYR 24 -8.241 -16.997 6.016
157 HE2 TYR 24 HE2 TYR 24 -5.958 -17.113 9.615
158 HH TYR 24 HH TYR 24 -7.080 -15.212 8.722
159 H ALA 25 H ALA 25 -7.751 -23.949 5.169
160 HA ALA 25 HA ALA 25 -6.635 -25.955 6.630
161 1HB ALA 25 1HB ALA 25 -6.855 -25.623 3.640
162 2HB ALA 25 3HB ALA 25 -6.217 -27.102 4.361
163 3HB ALA 25 2HB ALA 25 -7.870 -26.589 4.716
164 H TRP 26 H TRP 26 -4.883 -24.506 3.867
165 HA TRP 26 HA TRP 26 -2.432 -25.679 4.257
166 1HB TRP 26 2HB TRP 26 -3.457 -23.329 2.878
167 2HB TRP 26 1HB TRP 26 -1.807 -23.114 3.438
168 HD1 TRP 26 1HD TRP 26 -3.436 -24.102 0.416
169 HE1 TRP 26 1HE TRP 26 -2.031 -25.735 -0.953
170 HE3 TRP 26 3HE TRP 26 -0.071 -25.600 3.979
171 HZ2 TRP 26 2HZ TRP 26 0.179 -27.430 -0.626
172 HZ3 TRP 26 3HZ TRP 26 1.666 -27.237 3.377
173 HH2 TRP 26 HH2 TRP 26 1.793 -28.146 1.095
174 H ALA 27 H ALA 27 -3.197 -22.361 5.345
175 HA ALA 27 HA ALA 27 -0.948 -21.971 6.932
176 1HB ALA 27 3HB ALA 27 -3.706 -20.825 6.906
177 2HB ALA 27 2HB ALA 27 -2.650 -20.458 8.272
178 3HB ALA 27 1HB ALA 27 -2.153 -20.031 6.634
179 H MET 28 H MET 28 -3.991 -23.587 7.695
180 HA MET 28 HA MET 28 -3.602 -23.849 10.469
181 1HB MET 28 2HB MET 28 -5.746 -24.231 9.158
182 2HB MET 28 1HB MET 28 -5.057 -25.756 8.619
183 1HG MET 28 2HG MET 28 -6.667 -25.819 10.597
184 2HG MET 28 1HG MET 28 -5.160 -26.700 10.742
185 1HE MET 28 1HE MET 28 -7.297 -23.654 11.854
186 2HE MET 28 3HE MET 28 -6.173 -22.709 12.841
187 3HE MET 28 2HE MET 28 -5.946 -22.815 11.095
188 H VAL 29 H VAL 29 -2.690 -25.778 7.677
189 HA VAL 29 HA VAL 29 -1.633 -28.018 9.043
190 HB VAL 29 HB VAL 29 -0.943 -26.848 6.347
191 1HG1 VAL 29 1HG1 VAL 29 0.746 -28.452 7.377
192 2HG1 VAL 29 3HG1 VAL 29 -0.501 -29.690 7.217
193 3HG1 VAL 29 2HG1 VAL 29 0.116 -28.870 5.782
194 1HG2 VAL 29 2HG2 VAL 29 -3.351 -27.768 7.067
195 2HG2 VAL 29 1HG2 VAL 29 -2.688 -27.989 5.446
196 3HG2 VAL 29 3HG2 VAL 29 -2.585 -29.296 6.628
197 H VAL 30 H VAL 30 -0.312 -24.922 8.060
198 HA VAL 30 HA VAL 30 2.390 -25.517 8.845
199 HB VAL 30 HB VAL 30 0.965 -22.936 8.241
200 1HG1 VAL 30 3HG1 VAL 30 2.968 -22.683 9.744
201 2HG1 VAL 30 2HG1 VAL 30 3.944 -23.339 8.427
202 3HG1 VAL 30 1HG1 VAL 30 3.065 -21.822 8.207
203 1HG2 VAL 30 2HG2 VAL 30 1.960 -25.015 6.584
204 2HG2 VAL 30 1HG2 VAL 30 1.240 -23.477 6.103
205 3HG2 VAL 30 3HG2 VAL 30 2.983 -23.595 6.354
206 H VAL 31 H VAL 31 -0.426 -23.973 10.249
207 HA VAL 31 HA VAL 31 0.734 -22.897 12.565
208 HB VAL 31 HB VAL 31 -1.835 -23.184 11.450
209 1HG1 VAL 31 3HG1 VAL 31 -1.763 -24.170 14.294
210 2HG1 VAL 31 2HG1 VAL 31 -3.222 -23.690 13.423
211 3HG1 VAL 31 1HG1 VAL 31 -2.283 -25.085 12.878
212 1HG2 VAL 31 3HG2 VAL 31 -0.496 -21.589 13.537
213 2HG2 VAL 31 2HG2 VAL 31 -1.463 -21.074 12.153
214 3HG2 VAL 31 1HG2 VAL 31 -2.258 -21.643 13.622
215 H ILE 32 H ILE 32 -0.780 -26.038 11.970
216 HA ILE 32 HA ILE 32 -0.553 -27.231 14.439
217 HB ILE 32 HB ILE 32 -0.363 -28.281 11.640
218 1HG1 ILE 32 2HG1 ILE 32 -2.466 -28.571 13.784
219 2HG1 ILE 32 1HG1 ILE 32 -2.511 -27.416 12.458
220 1HG2 ILE 32 1HG2 ILE 32 0.384 -29.704 14.061
221 2HG2 ILE 32 3HG2 ILE 32 -0.967 -30.479 13.231
222 3HG2 ILE 32 2HG2 ILE 32 0.548 -30.191 12.373
223 1HD1 ILE 32 1HD1 ILE 32 -2.052 -30.159 11.563
224 2HD1 ILE 32 3HD1 ILE 32 -3.589 -29.952 12.407
225 3HD1 ILE 32 2HD1 ILE 32 -3.220 -28.966 10.988
226 H VAL 33 H VAL 33 1.919 -27.031 11.885
227 HA VAL 33 HA VAL 33 3.904 -28.529 13.138
228 HB VAL 33 HB VAL 33 4.109 -26.227 11.206
229 1HG1 VAL 33 1HG1 VAL 33 6.152 -27.802 12.551
230 2HG1 VAL 33 3HG1 VAL 33 6.280 -27.875 10.793
231 3HG1 VAL 33 2HG1 VAL 33 6.302 -26.313 11.615
232 1HG2 VAL 33 3HG2 VAL 33 3.772 -29.189 10.903
233 2HG2 VAL 33 2HG2 VAL 33 2.898 -27.877 10.108
234 3HG2 VAL 33 1HG2 VAL 33 4.560 -28.242 9.638
235 H GLY 34 H GLY 34 3.703 -24.977 12.895
236 1HA GLY 34 2HA GLY 34 5.729 -24.364 14.712
237 2HA GLY 34 1HA GLY 34 4.382 -23.299 14.311
238 H ALA 35 H ALA 35 2.358 -25.174 15.233
239 HA ALA 35 HA ALA 35 2.276 -24.401 17.990
240 1HB ALA 35 2HB ALA 35 0.265 -24.605 16.526
241 2HB ALA 35 1HB ALA 35 0.491 -26.356 16.533
242 3HB ALA 35 3HB ALA 35 0.131 -25.506 18.038
243 H THR 36 H THR 36 2.780 -27.446 16.259
244 HA THR 36 HA THR 36 2.776 -29.261 18.334
245 HB THR 36 HB THR 36 4.623 -29.182 15.947
246 HG1 THR 36 HG1 THR 36 2.919 -30.742 15.240
247 1HG2 THR 36 2HG2 THR 36 4.476 -31.002 18.161
248 2HG2 THR 36 1HG2 THR 36 3.973 -31.824 16.683
249 3HG2 THR 36 3HG2 THR 36 5.551 -31.039 16.761
250 H ILE 37 H ILE 37 5.673 -27.619 17.059
251 HA ILE 37 HA ILE 37 7.484 -28.455 18.981
252 HB ILE 37 HB ILE 37 7.434 -25.815 17.568
253 1HG1 ILE 37 2HG1 ILE 37 7.644 -28.545 16.623
254 2HG1 ILE 37 1HG1 ILE 37 7.480 -27.057 15.716
255 1HG2 ILE 37 2HG2 ILE 37 9.648 -27.409 18.865
256 2HG2 ILE 37 1HG2 ILE 37 9.930 -26.055 17.769
257 3HG2 ILE 37 3HG2 ILE 37 9.087 -25.792 19.296
258 1HD1 ILE 37 1HD1 ILE 37 10.076 -28.136 16.807
259 2HD1 ILE 37 3HD1 ILE 37 9.528 -28.327 15.140
260 3HD1 ILE 37 2HD1 ILE 37 9.885 -26.717 15.772
261 H GLY 38 H GLY 38 5.766 -25.331 18.889
262 1HA GLY 38 2HA GLY 38 6.590 -24.228 21.267
263 2HA GLY 38 1HA GLY 38 4.989 -23.967 20.575
264 H ILE 39 H ILE 39 3.750 -26.349 20.818
265 HA ILE 39 HA ILE 39 2.838 -26.435 23.428
266 HB ILE 39 HB ILE 39 2.879 -28.590 21.316
267 1HG1 ILE 39 2HG1 ILE 39 0.557 -26.919 22.257
268 2HG1 ILE 39 1HG1 ILE 39 1.635 -26.384 20.972
269 1HG2 ILE 39 2HG2 ILE 39 2.621 -29.615 23.551
270 2HG2 ILE 39 1HG2 ILE 39 1.271 -28.528 23.884
271 3HG2 ILE 39 3HG2 ILE 39 1.133 -29.736 22.605
272 1HD1 ILE 39 1HD1 ILE 39 0.858 -29.085 20.439
273 2HD1 ILE 39 3HD1 ILE 39 -0.592 -28.138 20.777
274 3HD1 ILE 39 2HD1 ILE 39 0.511 -27.635 19.494
275 H LYS 40 H LYS 40 5.633 -27.967 22.011
276 HA LYS 40 HA LYS 40 6.129 -29.753 24.215
277 1HB LYS 40 2HB LYS 40 6.948 -29.986 21.785
278 2HB LYS 40 1HB LYS 40 8.187 -28.816 22.232
279 1HG LYS 40 2HG LYS 40 7.898 -30.993 24.168
280 2HG LYS 40 1HG LYS 40 8.365 -31.548 22.562
281 1HD LYS 40 2HD LYS 40 10.339 -30.277 22.568
282 2HD LYS 40 1HD LYS 40 9.773 -29.236 23.872
283 1HE LYS 40 2HE LYS 40 9.722 -31.728 25.036
284 2HE LYS 40 1HE LYS 40 11.140 -31.825 23.993
285 1HZ LYS 40 3HZ LYS 40 10.933 -29.368 25.483
286 2HZ LYS 40 2HZ LYS 40 11.101 -30.749 26.457
287 3HZ LYS 40 1HZ LYS 40 12.261 -30.399 25.266
288 H LEU 41 H LEU 41 8.014 -26.995 22.979
289 HA LEU 41 HA LEU 41 9.575 -26.626 25.249
290 1HB LEU 41 2HB LEU 41 9.766 -24.199 24.422
291 2HB LEU 41 1HB LEU 41 10.311 -25.462 23.317
292 HG LEU 41 HG LEU 41 7.614 -25.137 22.708
293 1HD1 LEU 41 3HD1 LEU 41 7.625 -23.061 24.080
294 2HD1 LEU 41 2HD1 LEU 41 8.873 -22.413 23.016
295 3HD1 LEU 41 1HD1 LEU 41 7.269 -22.776 22.376
296 1HD2 LEU 41 1HD2 LEU 41 9.636 -25.486 21.232
297 2HD2 LEU 41 3HD2 LEU 41 8.406 -24.386 20.608
298 3HD2 LEU 41 2HD2 LEU 41 9.886 -23.740 21.318
299 H PHE 42 H PHE 42 6.679 -24.784 24.377
300 HA PHE 42 HA PHE 42 6.400 -23.212 26.609
301 1HB PHE 42 2HB PHE 42 4.946 -23.543 24.409
302 2HB PHE 42 1HB PHE 42 3.948 -24.477 25.510
303 HD1 PHE 42 HD2 PHE 42 2.942 -23.393 27.497
304 HD2 PHE 42 HD1 PHE 42 5.053 -21.160 24.532
305 HE1 PHE 42 HE2 PHE 42 1.930 -21.311 28.343
306 HE2 PHE 42 HE1 PHE 42 4.042 -19.079 25.380
307 HZ PHE 42 HZ PHE 42 2.480 -19.155 27.284
308 H LYS 43 H LYS 43 5.332 -26.548 26.159
309 HA LYS 43 HA LYS 43 3.789 -27.175 28.240
310 1HB LYS 43 2HB LYS 43 5.348 -28.644 26.542
311 2HB LYS 43 1HB LYS 43 6.086 -29.006 28.095
312 1HG LYS 43 2HG LYS 43 3.168 -29.287 27.435
313 2HG LYS 43 1HG LYS 43 4.319 -30.610 27.498
314 1HD LYS 43 2HD LYS 43 3.988 -30.808 29.697
315 2HD LYS 43 1HD LYS 43 4.506 -29.145 29.939
316 1HE LYS 43 2HE LYS 43 1.785 -29.372 28.880
317 2HE LYS 43 1HE LYS 43 1.985 -30.125 30.460
318 1HZ LYS 43 1HZ LYS 43 3.246 -27.859 30.895
319 2HZ LYS 43 3HZ LYS 43 2.179 -27.320 29.693
320 3HZ LYS 43 2HZ LYS 43 1.570 -28.021 31.115
321 H LYS 44 H LYS 44 7.280 -27.635 28.676
322 HA LYS 44 HA LYS 44 6.925 -27.173 31.548
323 1HB LYS 44 2HB LYS 44 9.283 -28.343 30.096
324 2HB LYS 44 1HB LYS 44 8.946 -28.428 31.827
325 1HG LYS 44 2HG LYS 44 6.901 -29.772 31.359
326 2HG LYS 44 1HG LYS 44 7.223 -29.638 29.625
327 1HD LYS 44 2HD LYS 44 8.164 -31.704 30.038
328 2HD LYS 44 1HD LYS 44 9.581 -30.675 30.284
329 1HE LYS 44 2HE LYS 44 7.830 -32.040 32.342
330 2HE LYS 44 1HE LYS 44 9.578 -32.133 32.160
331 1HZ LYS 44 2HZ LYS 44 8.065 -29.721 33.010
332 2HZ LYS 44 1HZ LYS 44 8.919 -30.764 34.044
333 3HZ LYS 44 3HZ LYS 44 9.755 -29.850 32.885
334 H PHE 45 H PHE 45 8.058 -25.506 28.830
335 HA PHE 45 HA PHE 45 10.353 -24.196 29.482
336 1HB PHE 45 2HB PHE 45 9.231 -23.652 27.443
337 2HB PHE 45 1HB PHE 45 7.828 -23.032 28.303
338 HD1 PHE 45 HD2 PHE 45 7.947 -20.865 29.466
339 HD2 PHE 45 HD1 PHE 45 11.203 -22.342 27.131
340 HE1 PHE 45 HE2 PHE 45 8.941 -18.609 29.424
341 HE2 PHE 45 HE1 PHE 45 12.197 -20.086 27.090
342 HZ PHE 45 HZ PHE 45 11.066 -18.220 28.236
343 H THR 46 H THR 46 7.181 -23.643 30.902
344 HA THR 46 HA THR 46 8.204 -21.521 32.618
345 HB THR 46 HB THR 46 5.720 -21.781 33.478
346 HG1 THR 46 HG1 THR 46 4.437 -22.425 31.599
347 1HG2 THR 46 1HG2 THR 46 6.789 -19.860 32.226
348 2HG2 THR 46 3HG2 THR 46 6.209 -20.618 30.741
349 3HG2 THR 46 2HG2 THR 46 5.057 -20.077 31.964
350 H SER 47 H SER 47 5.946 -24.087 33.463
351 HA SER 47 HA SER 47 5.799 -25.443 35.336
352 1HB SER 47 2HB SER 47 8.105 -26.514 35.887
353 2HB SER 47 1HB SER 47 7.297 -26.892 34.370
354 HG SER 47 HG SER 47 9.360 -24.959 34.774
355 H LYS 48 H LYS 48 5.269 -24.402 37.096
356 HA LYS 48 HA LYS 48 5.400 -22.860 38.857
357 1HB LYS 48 2HB LYS 48 7.398 -25.028 39.455
358 2HB LYS 48 1HB LYS 48 6.687 -23.958 40.662
359 1HG LYS 48 2HG LYS 48 5.003 -25.661 38.833
360 2HG LYS 48 1HG LYS 48 5.621 -26.271 40.364
361 1HD LYS 48 2HD LYS 48 4.516 -23.818 41.031
362 2HD LYS 48 1HD LYS 48 3.406 -24.456 39.825
363 1HE LYS 48 2HE LYS 48 4.050 -25.480 42.550
364 2HE LYS 48 1HE LYS 48 2.498 -25.382 41.723
365 1HZ LYS 48 1HZ LYS 48 3.634 -27.159 40.190
366 2HZ LYS 48 3HZ LYS 48 4.558 -27.455 41.581
367 3HZ LYS 48 2HZ LYS 48 2.867 -27.606 41.638
368 H ALA 49 H ALA 49 6.296 -20.967 37.879
369 HA ALA 49 HA ALA 49 9.048 -20.478 37.547
370 1HB ALA 49 3HB ALA 49 6.588 -19.061 37.290
371 2HB ALA 49 2HB ALA 49 7.723 -18.057 38.202
372 3HB ALA 49 1HB ALA 49 8.165 -18.660 36.601
373 H SER 50 H SER 50 10.536 -19.396 38.849
374 HA SER 50 HA SER 50 9.831 -19.228 41.716
375 1HB SER 50 2HB SER 50 11.890 -20.729 40.401
376 2HB SER 50 1HB SER 50 12.626 -19.524 41.451
377 HG SER 50 HG SER 50 11.450 -20.365 43.177
No H/Q in entry = 377
Start of MODEL 7
1 1H ALA 1 2H ALA 1 -30.080 6.975 -13.001
2 2H ALA 1 1H ALA 1 -31.502 7.432 -12.191
3 3H ALA 1 3H ALA 1 -30.006 7.528 -11.397
4 HA ALA 1 HA ALA 1 -30.817 5.605 -10.517
5 1HB ALA 1 1HB ALA 1 -32.778 5.714 -12.233
6 2HB ALA 1 3HB ALA 1 -31.796 4.576 -13.158
7 3HB ALA 1 2HB ALA 1 -32.332 4.158 -11.528
8 H GLU 2 H GLU 2 -28.603 5.251 -10.288
9 HA GLU 2 HA GLU 2 -27.165 3.885 -12.434
10 1HB GLU 2 2HB GLU 2 -25.207 4.148 -11.000
11 2HB GLU 2 1HB GLU 2 -26.040 5.687 -11.202
12 1HG GLU 2 2HG GLU 2 -27.272 4.694 -8.974
13 2HG GLU 2 1HG GLU 2 -25.633 4.069 -8.778
14 H GLY 3 H GLY 3 -27.154 1.748 -12.566
15 1HA GLY 3 2HA GLY 3 -28.427 -0.080 -11.074
16 2HA GLY 3 1HA GLY 3 -26.958 -0.461 -11.961
17 H ASP 4 H ASP 4 -27.565 -1.818 -9.636
18 HA ASP 4 HA ASP 4 -26.654 -0.884 -7.207
19 1HB ASP 4 2HB ASP 4 -26.689 -3.561 -8.512
20 2HB ASP 4 1HB ASP 4 -25.754 -3.374 -7.027
21 H ASP 5 H ASP 5 -24.609 -3.126 -8.988
22 HA ASP 5 HA ASP 5 -22.386 -1.477 -9.346
23 1HB ASP 5 2HB ASP 5 -22.475 -1.591 -6.837
24 2HB ASP 5 1HB ASP 5 -22.228 -3.331 -6.981
25 HA PRO 6 HA PRO 6 -21.735 -5.007 -11.965
26 1HB PRO 6 2HB PRO 6 -19.133 -4.510 -12.629
27 2HB PRO 6 1HB PRO 6 -20.521 -3.674 -13.349
28 1HG PRO 6 2HG PRO 6 -18.733 -2.783 -11.122
29 2HG PRO 6 1HG PRO 6 -19.344 -1.856 -12.510
30 1HD PRO 6 2HD PRO 6 -20.485 -1.621 -10.089
31 2HD PRO 6 1HD PRO 6 -21.470 -1.600 -11.567
32 H ALA 7 H ALA 7 -20.087 -4.408 -9.029
33 HA ALA 7 HA ALA 7 -18.321 -6.623 -8.941
34 1HB ALA 7 2HB ALA 7 -18.195 -4.729 -7.368
35 2HB ALA 7 1HB ALA 7 -19.755 -5.200 -6.686
36 3HB ALA 7 3HB ALA 7 -18.356 -6.265 -6.512
37 H LYS 8 H LYS 8 -21.737 -6.217 -8.473
38 HA LYS 8 HA LYS 8 -22.583 -8.283 -6.937
39 1HB LYS 8 2HB LYS 8 -24.619 -8.298 -8.226
40 2HB LYS 8 1HB LYS 8 -24.026 -6.640 -8.118
41 1HG LYS 8 2HG LYS 8 -24.349 -6.630 -10.353
42 2HG LYS 8 1HG LYS 8 -22.800 -7.465 -10.394
43 1HD LYS 8 2HD LYS 8 -23.812 -9.177 -11.415
44 2HD LYS 8 1HD LYS 8 -24.688 -9.478 -9.919
45 1HE LYS 8 2HE LYS 8 -25.597 -8.121 -12.417
46 2HE LYS 8 1HE LYS 8 -26.449 -9.261 -11.380
47 1HZ LYS 8 3HZ LYS 8 -26.267 -7.266 -9.702
48 2HZ LYS 8 2HZ LYS 8 -26.183 -6.361 -11.137
49 3HZ LYS 8 1HZ LYS 8 -27.525 -7.360 -10.835
50 H ALA 9 H ALA 9 -21.149 -8.516 -10.113
51 HA ALA 9 HA ALA 9 -21.870 -11.259 -10.566
52 1HB ALA 9 1HB ALA 9 -21.124 -9.337 -12.235
53 2HB ALA 9 3HB ALA 9 -19.526 -10.017 -11.922
54 3HB ALA 9 2HB ALA 9 -20.804 -11.037 -12.587
55 H ALA 10 H ALA 10 -18.703 -9.714 -10.013
56 HA ALA 10 HA ALA 10 -17.138 -11.932 -9.632
57 1HB ALA 10 2HB ALA 10 -16.577 -9.381 -9.543
58 2HB ALA 10 1HB ALA 10 -16.790 -9.586 -7.803
59 3HB ALA 10 3HB ALA 10 -15.568 -10.530 -8.660
60 H PHE 11 H PHE 11 -19.432 -10.523 -7.383
61 HA PHE 11 HA PHE 11 -18.603 -11.936 -5.062
62 1HB PHE 11 2HB PHE 11 -20.884 -10.272 -5.817
63 2HB PHE 11 1HB PHE 11 -21.332 -11.603 -4.766
64 HD1 PHE 11 HD2 PHE 11 -17.963 -10.198 -4.550
65 HD2 PHE 11 HD1 PHE 11 -21.933 -9.981 -2.952
66 HE1 PHE 11 HE2 PHE 11 -17.126 -8.929 -2.616
67 HE2 PHE 11 HE1 PHE 11 -21.078 -8.718 -1.029
68 HZ PHE 11 HZ PHE 11 -18.681 -8.191 -0.857
69 H ASN 12 H ASN 12 -21.418 -12.545 -7.164
70 HA ASN 12 HA ASN 12 -22.152 -15.022 -6.147
71 1HB ASN 12 2HB ASN 12 -23.135 -13.472 -8.109
72 2HB ASN 12 1HB ASN 12 -22.321 -14.690 -9.093
73 1HD2 ASN 12 2HD2 ASN 12 -24.342 -17.389 -7.783
74 2HD2 ASN 12 1HD2 ASN 12 -22.694 -17.004 -8.134
75 H SER 13 H SER 13 -19.486 -14.153 -8.178
76 HA SER 13 HA SER 13 -18.861 -16.734 -9.199
77 1HB SER 13 2HB SER 13 -16.594 -14.936 -8.814
78 2HB SER 13 1HB SER 13 -17.238 -15.630 -10.296
79 HG SER 13 HG SER 13 -18.755 -13.981 -10.375
80 H LEU 14 H LEU 14 -18.411 -15.215 -6.137
81 HA LEU 14 HA LEU 14 -16.138 -16.588 -5.197
82 1HB LEU 14 2HB LEU 14 -17.585 -14.615 -4.170
83 2HB LEU 14 1HB LEU 14 -18.378 -15.938 -3.334
84 HG LEU 14 HG LEU 14 -16.764 -15.382 -1.837
85 1HD1 LEU 14 3HD1 LEU 14 -15.387 -17.404 -3.592
86 2HD1 LEU 14 2HD1 LEU 14 -14.862 -16.983 -1.962
87 3HD1 LEU 14 1HD1 LEU 14 -16.443 -17.723 -2.214
88 1HD2 LEU 14 2HD2 LEU 14 -15.021 -14.692 -4.182
89 2HD2 LEU 14 1HD2 LEU 14 -15.597 -13.641 -2.884
90 3HD2 LEU 14 3HD2 LEU 14 -14.358 -14.854 -2.555
91 H GLN 15 H GLN 15 -19.477 -17.476 -5.501
92 HA GLN 15 HA GLN 15 -19.581 -19.703 -3.804
93 1HB GLN 15 2HB GLN 15 -21.591 -18.790 -4.775
94 2HB GLN 15 1HB GLN 15 -21.015 -19.140 -6.401
95 1HG GLN 15 2HG GLN 15 -21.181 -21.433 -4.521
96 2HG GLN 15 1HG GLN 15 -22.705 -20.759 -5.096
97 1HE2 GLN 15 2HD2 GLN 15 -21.765 -21.388 -8.588
98 2HE2 GLN 15 1HD2 GLN 15 -22.249 -20.045 -7.613
99 H ALA 16 H ALA 16 -18.073 -19.252 -6.894
100 HA ALA 16 HA ALA 16 -17.800 -22.064 -7.498
101 1HB ALA 16 1HB ALA 16 -17.396 -19.571 -8.857
102 2HB ALA 16 3HB ALA 16 -15.932 -20.548 -8.980
103 3HB ALA 16 2HB ALA 16 -17.476 -21.200 -9.531
104 H SER 17 H SER 17 -16.000 -19.627 -5.816
105 HA SER 17 HA SER 17 -13.534 -21.177 -5.761
106 1HB SER 17 2HB SER 17 -14.074 -18.730 -4.125
107 2HB SER 17 1HB SER 17 -12.546 -19.310 -4.776
108 HG SER 17 HG SER 17 -13.608 -18.903 -6.911
109 H ALA 18 H ALA 18 -16.418 -21.090 -3.990
110 HA ALA 18 HA ALA 18 -15.900 -21.289 -1.348
111 1HB ALA 18 2HB ALA 18 -17.805 -22.633 -3.154
112 2HB ALA 18 1HB ALA 18 -17.565 -23.413 -1.588
113 3HB ALA 18 3HB ALA 18 -18.095 -21.732 -1.663
114 H THR 19 H THR 19 -15.140 -23.755 -3.753
115 HA THR 19 HA THR 19 -14.386 -25.843 -2.046
116 HB THR 19 HB THR 19 -12.817 -25.426 -4.517
117 HG1 THR 19 HG1 THR 19 -14.698 -26.013 -5.752
118 1HG2 THR 19 2HG2 THR 19 -12.731 -27.525 -3.219
119 2HG2 THR 19 1HG2 THR 19 -14.459 -27.749 -3.503
120 3HG2 THR 19 3HG2 THR 19 -13.330 -27.774 -4.859
121 H GLU 20 H GLU 20 -12.526 -23.089 -3.274
122 HA GLU 20 HA GLU 20 -10.001 -23.848 -2.330
123 1HB GLU 20 2HB GLU 20 -11.318 -21.293 -3.132
124 2HB GLU 20 1HB GLU 20 -9.744 -21.245 -2.367
125 1HG GLU 20 2HG GLU 20 -8.867 -22.776 -4.102
126 2HG GLU 20 1HG GLU 20 -10.451 -22.767 -4.878
127 H TYR 21 H TYR 21 -12.776 -22.884 -0.591
128 HA TYR 21 HA TYR 21 -11.287 -21.757 1.643
129 1HB TYR 21 2HB TYR 21 -14.136 -21.971 0.863
130 2HB TYR 21 1HB TYR 21 -13.790 -21.960 2.586
131 HD1 TYR 21 HD2 TYR 21 -13.602 -20.050 -0.543
132 HD2 TYR 21 HD1 TYR 21 -12.910 -19.992 3.669
133 HE1 TYR 21 HE2 TYR 21 -13.361 -17.597 -0.615
134 HE2 TYR 21 HE1 TYR 21 -12.670 -17.539 3.592
135 HH TYR 21 HH TYR 21 -13.314 -15.713 0.664
136 H ILE 22 H ILE 22 -12.932 -24.736 0.754
137 HA ILE 22 HA ILE 22 -12.880 -25.891 3.359
138 HB ILE 22 HB ILE 22 -13.239 -26.987 0.568
139 1HG1 ILE 22 2HG1 ILE 22 -15.208 -26.624 2.853
140 2HG1 ILE 22 1HG1 ILE 22 -15.082 -25.588 1.412
141 1HG2 ILE 22 3HG2 ILE 22 -12.244 -28.713 1.997
142 2HG2 ILE 22 2HG2 ILE 22 -13.577 -28.525 3.137
143 3HG2 ILE 22 1HG2 ILE 22 -13.888 -29.109 1.502
144 1HD1 ILE 22 2HD1 ILE 22 -15.557 -28.573 1.186
145 2HD1 ILE 22 1HD1 ILE 22 -16.896 -27.447 1.424
146 3HD1 ILE 22 3HD1 ILE 22 -15.878 -27.317 -0.013
147 H GLY 23 H GLY 23 -10.612 -25.546 0.763
148 1HA GLY 23 2HA GLY 23 -8.815 -27.587 1.861
149 2HA GLY 23 1HA GLY 23 -8.604 -26.722 0.338
150 H TYR 24 H TYR 24 -9.411 -25.162 3.369
151 HA TYR 24 HA TYR 24 -6.808 -23.768 3.295
152 1HB TYR 24 2HB TYR 24 -9.555 -22.919 3.856
153 2HB TYR 24 1HB TYR 24 -8.391 -22.368 5.051
154 HD1 TYR 24 HD2 TYR 24 -8.002 -22.880 1.379
155 HD2 TYR 24 HD1 TYR 24 -8.079 -20.107 4.623
156 HE1 TYR 24 HE2 TYR 24 -7.305 -21.074 -0.144
157 HE2 TYR 24 HE1 TYR 24 -7.385 -18.304 3.098
158 HH TYR 24 HH TYR 24 -7.585 -17.885 0.528
159 H ALA 25 H ALA 25 -7.391 -26.421 4.495
160 HA ALA 25 HA ALA 25 -7.006 -25.842 7.357
161 1HB ALA 25 3HB ALA 25 -8.796 -27.446 6.763
162 2HB ALA 25 2HB ALA 25 -7.600 -28.468 5.965
163 3HB ALA 25 1HB ALA 25 -7.520 -28.217 7.710
164 H TRP 26 H TRP 26 -5.598 -27.648 4.648
165 HA TRP 26 HA TRP 26 -3.407 -28.768 5.963
166 1HB TRP 26 2HB TRP 26 -4.235 -28.305 3.223
167 2HB TRP 26 1HB TRP 26 -2.501 -28.088 3.416
168 HD1 TRP 26 1HD TRP 26 -4.787 -30.718 2.509
169 HE1 TRP 26 1HE TRP 26 -3.839 -33.028 3.045
170 HE3 TRP 26 3HE TRP 26 -0.984 -29.408 5.677
171 HZ2 TRP 26 2HZ TRP 26 -1.788 -34.179 4.579
172 HZ3 TRP 26 3HZ TRP 26 0.435 -31.169 6.648
173 HH2 TRP 26 HH2 TRP 26 0.039 -33.535 6.105
174 H ALA 27 H ALA 27 -3.728 -25.619 4.346
175 HA ALA 27 HA ALA 27 -1.066 -24.753 4.827
176 1HB ALA 27 1HB ALA 27 -3.231 -23.780 3.421
177 2HB ALA 27 3HB ALA 27 -3.082 -22.631 4.753
178 3HB ALA 27 2HB ALA 27 -1.710 -22.923 3.683
179 H MET 28 H MET 28 -4.036 -24.636 6.703
180 HA MET 28 HA MET 28 -3.115 -22.825 8.684
181 1HB MET 28 2HB MET 28 -5.516 -23.407 8.267
182 2HB MET 28 1HB MET 28 -5.201 -25.013 8.915
183 1HG MET 28 2HG MET 28 -6.254 -23.342 10.503
184 2HG MET 28 1HG MET 28 -4.834 -24.193 11.086
185 1HE MET 28 3HE MET 28 -5.590 -22.263 12.752
186 2HE MET 28 2HE MET 28 -3.853 -22.136 13.027
187 3HE MET 28 1HE MET 28 -4.804 -20.678 12.748
188 H VAL 29 H VAL 29 -3.137 -26.338 8.321
189 HA VAL 29 HA VAL 29 -2.126 -27.085 10.825
190 HB VAL 29 HB VAL 29 -1.657 -28.334 8.116
191 1HG1 VAL 29 2HG1 VAL 29 -0.030 -29.088 9.803
192 2HG1 VAL 29 1HG1 VAL 29 -1.362 -29.557 10.860
193 3HG1 VAL 29 3HG1 VAL 29 -1.130 -30.380 9.316
194 1HG2 VAL 29 3HG2 VAL 29 -4.052 -28.000 9.272
195 2HG2 VAL 29 2HG2 VAL 29 -3.643 -29.420 8.306
196 3HG2 VAL 29 1HG2 VAL 29 -3.556 -29.495 10.068
197 H VAL 30 H VAL 30 -0.551 -26.039 7.858
198 HA VAL 30 HA VAL 30 2.129 -26.425 8.627
199 HB VAL 30 HB VAL 30 0.782 -24.540 6.712
200 1HG1 VAL 30 1HG1 VAL 30 3.747 -24.899 7.134
201 2HG1 VAL 30 3HG1 VAL 30 3.014 -24.071 5.758
202 3HG1 VAL 30 2HG1 VAL 30 2.813 -23.423 7.387
203 1HG2 VAL 30 2HG2 VAL 30 0.728 -26.914 6.140
204 2HG2 VAL 30 1HG2 VAL 30 1.742 -26.010 5.013
205 3HG2 VAL 30 3HG2 VAL 30 2.488 -26.990 6.278
206 H VAL 31 H VAL 31 -0.209 -23.925 9.259
207 HA VAL 31 HA VAL 31 1.590 -22.021 10.400
208 HB VAL 31 HB VAL 31 -1.193 -22.236 9.797
209 1HG1 VAL 31 1HG1 VAL 31 -0.647 -21.281 12.602
210 2HG1 VAL 31 3HG1 VAL 31 -2.151 -21.004 11.719
211 3HG1 VAL 31 2HG1 VAL 31 -1.655 -22.651 12.129
212 1HG2 VAL 31 1HG2 VAL 31 0.821 -20.132 10.307
213 2HG2 VAL 31 3HG2 VAL 31 -0.266 -20.358 8.936
214 3HG2 VAL 31 2HG2 VAL 31 -0.873 -19.656 10.437
215 H ILE 32 H ILE 32 -0.660 -24.400 11.713
216 HA ILE 32 HA ILE 32 -0.231 -24.120 14.418
217 HB ILE 32 HB ILE 32 -0.881 -26.468 12.678
218 1HG1 ILE 32 2HG1 ILE 32 -2.479 -24.851 14.660
219 2HG1 ILE 32 1HG1 ILE 32 -2.573 -24.749 12.905
220 1HG2 ILE 32 3HG2 ILE 32 0.282 -27.377 14.651
221 2HG2 ILE 32 2HG2 ILE 32 -0.835 -26.504 15.703
222 3HG2 ILE 32 1HG2 ILE 32 -1.433 -27.794 14.657
223 1HD1 ILE 32 1HD1 ILE 32 -2.930 -27.478 13.842
224 2HD1 ILE 32 3HD1 ILE 32 -4.119 -26.381 14.544
225 3HD1 ILE 32 2HD1 ILE 32 -3.964 -26.509 12.790
226 H VAL 33 H VAL 33 1.792 -25.759 12.015
227 HA VAL 33 HA VAL 33 3.467 -27.245 13.591
228 HB VAL 33 HB VAL 33 4.074 -25.597 11.148
229 1HG1 VAL 33 1HG1 VAL 33 5.766 -27.675 12.523
230 2HG1 VAL 33 3HG1 VAL 33 6.045 -27.100 10.879
231 3HG1 VAL 33 2HG1 VAL 33 6.169 -25.980 12.238
232 1HG2 VAL 33 2HG2 VAL 33 2.985 -28.296 11.663
233 2HG2 VAL 33 1HG2 VAL 33 2.692 -27.191 10.318
234 3HG2 VAL 33 3HG2 VAL 33 4.162 -28.166 10.355
235 H GLY 34 H GLY 34 3.632 -23.768 12.915
236 1HA GLY 34 2HA GLY 34 6.023 -23.240 14.338
237 2HA GLY 34 1HA GLY 34 4.777 -22.055 13.941
238 H ALA 35 H ALA 35 2.679 -23.579 15.291
239 HA ALA 35 HA ALA 35 2.971 -22.477 17.920
240 1HB ALA 35 3HB ALA 35 0.840 -23.182 16.324
241 2HB ALA 35 2HB ALA 35 0.834 -24.444 17.559
242 3HB ALA 35 1HB ALA 35 0.738 -22.746 18.031
243 H THR 36 H THR 36 3.246 -25.663 16.476
244 HA THR 36 HA THR 36 3.204 -27.314 18.697
245 HB THR 36 HB THR 36 4.981 -27.493 16.264
246 HG1 THR 36 HG1 THR 36 3.200 -29.084 15.776
247 1HG2 THR 36 2HG2 THR 36 5.718 -28.929 18.163
248 2HG2 THR 36 1HG2 THR 36 4.131 -29.702 18.138
249 3HG2 THR 36 3HG2 THR 36 5.203 -29.843 16.744
250 H ILE 37 H ILE 37 5.758 -25.210 17.516
251 HA ILE 37 HA ILE 37 7.912 -26.105 19.015
252 HB ILE 37 HB ILE 37 7.139 -23.388 18.042
253 1HG1 ILE 37 2HG1 ILE 37 7.666 -25.451 16.557
254 2HG1 ILE 37 1HG1 ILE 37 8.355 -23.892 16.175
255 1HG2 ILE 37 2HG2 ILE 37 9.781 -24.218 19.236
256 2HG2 ILE 37 1HG2 ILE 37 9.461 -22.690 18.412
257 3HG2 ILE 37 3HG2 ILE 37 8.642 -23.063 19.931
258 1HD1 ILE 37 2HD1 ILE 37 10.429 -24.539 17.330
259 2HD1 ILE 37 1HD1 ILE 37 9.724 -26.121 17.658
260 3HD1 ILE 37 3HD1 ILE 37 10.050 -25.630 15.995
261 H GLY 38 H GLY 38 5.279 -23.917 19.900
262 1HA GLY 38 2HA GLY 38 6.351 -23.332 22.520
263 2HA GLY 38 1HA GLY 38 4.762 -22.870 21.908
264 H ILE 39 H ILE 39 3.673 -25.293 21.237
265 HA ILE 39 HA ILE 39 2.656 -26.257 23.646
266 HB ILE 39 HB ILE 39 2.862 -27.649 20.977
267 1HG1 ILE 39 2HG1 ILE 39 0.587 -26.077 22.194
268 2HG1 ILE 39 1HG1 ILE 39 1.688 -25.465 20.962
269 1HG2 ILE 39 3HG2 ILE 39 1.090 -28.245 23.359
270 2HG2 ILE 39 2HG2 ILE 39 0.959 -29.015 21.776
271 3HG2 ILE 39 1HG2 ILE 39 2.405 -29.259 22.761
272 1HD1 ILE 39 3HD1 ILE 39 0.612 -28.013 20.148
273 2HD1 ILE 39 2HD1 ILE 39 -0.697 -26.903 20.559
274 3HD1 ILE 39 1HD1 ILE 39 0.495 -26.447 19.340
275 H LYS 40 H LYS 40 5.568 -27.053 21.939
276 HA LYS 40 HA LYS 40 6.083 -29.514 23.355
277 1HB LYS 40 2HB LYS 40 6.931 -29.007 21.052
278 2HB LYS 40 1HB LYS 40 8.009 -27.814 21.771
279 1HG LYS 40 2HG LYS 40 8.513 -30.020 23.311
280 2HG LYS 40 1HG LYS 40 8.196 -30.747 21.738
281 1HD LYS 40 2HD LYS 40 10.208 -30.118 20.995
282 2HD LYS 40 1HD LYS 40 9.871 -28.437 21.403
283 1HE LYS 40 2HE LYS 40 10.384 -29.847 23.825
284 2HE LYS 40 1HE LYS 40 11.660 -30.250 22.682
285 1HZ LYS 40 3HZ LYS 40 11.105 -27.486 22.572
286 2HZ LYS 40 2HZ LYS 40 11.398 -27.939 24.183
287 3HZ LYS 40 1HZ LYS 40 12.554 -28.265 22.982
288 H LEU 41 H LEU 41 7.706 -26.337 23.293
289 HA LEU 41 HA LEU 41 9.315 -26.786 25.557
290 1HB LEU 41 2HB LEU 41 9.544 -24.304 25.621
291 2HB LEU 41 1HB LEU 41 9.863 -24.984 24.024
292 HG LEU 41 HG LEU 41 7.276 -24.483 23.726
293 1HD1 LEU 41 3HD1 LEU 41 7.520 -23.496 26.231
294 2HD1 LEU 41 2HD1 LEU 41 7.854 -22.046 25.283
295 3HD1 LEU 41 1HD1 LEU 41 6.336 -22.916 25.060
296 1HD2 LEU 41 2HD2 LEU 41 9.523 -22.480 23.519
297 2HD2 LEU 41 1HD2 LEU 41 8.960 -23.592 22.270
298 3HD2 LEU 41 3HD2 LEU 41 7.934 -22.255 22.788
299 H PHE 42 H PHE 42 6.158 -25.314 25.211
300 HA PHE 42 HA PHE 42 5.810 -24.522 27.905
301 1HB PHE 42 2HB PHE 42 4.463 -23.955 25.724
302 2HB PHE 42 1HB PHE 42 3.493 -25.337 26.209
303 HD1 PHE 42 HD2 PHE 42 2.264 -25.305 28.350
304 HD2 PHE 42 HD1 PHE 42 4.382 -21.882 26.921
305 HE1 PHE 42 HE2 PHE 42 1.034 -23.879 29.940
306 HE2 PHE 42 HE1 PHE 42 3.152 -20.459 28.511
307 HZ PHE 42 HZ PHE 42 1.478 -21.456 30.020
308 H LYS 43 H LYS 43 5.480 -27.567 26.288
309 HA LYS 43 HA LYS 43 3.772 -28.873 28.123
310 1HB LYS 43 2HB LYS 43 3.881 -30.258 26.354
311 2HB LYS 43 1HB LYS 43 5.418 -29.598 25.830
312 1HG LYS 43 2HG LYS 43 6.636 -31.097 27.059
313 2HG LYS 43 1HG LYS 43 5.324 -31.438 28.182
314 1HD LYS 43 2HD LYS 43 5.301 -33.349 26.877
315 2HD LYS 43 1HD LYS 43 4.110 -32.338 26.062
316 1HE LYS 43 2HE LYS 43 5.392 -32.096 24.211
317 2HE LYS 43 1HE LYS 43 6.883 -31.968 25.140
318 1HZ LYS 43 2HZ LYS 43 5.639 -34.579 25.166
319 2HZ LYS 43 1HZ LYS 43 6.211 -34.078 23.646
320 3HZ LYS 43 3HZ LYS 43 7.271 -34.151 24.969
321 H LYS 44 H LYS 44 7.303 -28.602 27.930
322 HA LYS 44 HA LYS 44 7.524 -29.811 30.602
323 1HB LYS 44 2HB LYS 44 9.241 -29.691 28.238
324 2HB LYS 44 1HB LYS 44 10.090 -29.325 29.739
325 1HG LYS 44 2HG LYS 44 8.916 -31.449 30.677
326 2HG LYS 44 1HG LYS 44 8.602 -31.839 28.984
327 1HD LYS 44 2HD LYS 44 10.618 -32.924 29.272
328 2HD LYS 44 1HD LYS 44 11.188 -31.358 28.680
329 1HE LYS 44 2HE LYS 44 11.195 -32.438 31.513
330 2HE LYS 44 1HE LYS 44 12.559 -31.853 30.568
331 1HZ LYS 44 3HZ LYS 44 10.317 -30.151 31.513
332 2HZ LYS 44 2HZ LYS 44 11.821 -30.291 32.292
333 3HZ LYS 44 1HZ LYS 44 11.728 -29.629 30.730
334 H PHE 45 H PHE 45 9.682 -27.454 29.148
335 HA PHE 45 HA PHE 45 10.638 -25.561 30.056
336 1HB PHE 45 2HB PHE 45 8.713 -24.600 29.013
337 2HB PHE 45 1HB PHE 45 7.677 -25.069 30.353
338 HD1 PHE 45 HD1 PHE 45 10.792 -23.089 29.731
339 HD2 PHE 45 HD2 PHE 45 7.120 -23.438 31.883
340 HE1 PHE 45 HE1 PHE 45 11.214 -20.912 30.808
341 HE2 PHE 45 HE2 PHE 45 7.544 -21.261 32.959
342 HZ PHE 45 HZ PHE 45 9.591 -19.999 32.420
343 H THR 46 H THR 46 11.397 -27.073 31.845
344 HA THR 46 HA THR 46 10.505 -25.975 34.418
345 HB THR 46 HB THR 46 10.537 -28.091 35.468
346 HG1 THR 46 HG1 THR 46 12.256 -29.111 34.566
347 1HG2 THR 46 1HG2 THR 46 8.578 -27.526 33.909
348 2HG2 THR 46 3HG2 THR 46 9.265 -28.733 32.821
349 3HG2 THR 46 2HG2 THR 46 8.742 -29.201 34.441
350 H SER 47 H SER 47 12.567 -24.808 33.263
351 HA SER 47 HA SER 47 15.014 -26.071 34.319
352 1HB SER 47 2HB SER 47 14.543 -24.919 31.872
353 2HB SER 47 1HB SER 47 15.314 -23.609 32.759
354 HG SER 47 HG SER 47 17.049 -24.707 32.105
355 H LYS 48 H LYS 48 12.929 -23.295 34.558
356 HA LYS 48 HA LYS 48 13.069 -21.333 35.770
357 1HB LYS 48 2HB LYS 48 13.513 -23.540 37.762
358 2HB LYS 48 1HB LYS 48 13.052 -21.895 38.201
359 1HG LYS 48 2HG LYS 48 11.457 -23.580 36.272
360 2HG LYS 48 1HG LYS 48 11.171 -23.614 38.008
361 1HD LYS 48 2HD LYS 48 11.163 -20.935 37.527
362 2HD LYS 48 1HD LYS 48 10.516 -21.554 36.010
363 1HE LYS 48 2HE LYS 48 9.345 -21.626 38.748
364 2HE LYS 48 1HE LYS 48 8.564 -21.346 37.195
365 1HZ LYS 48 3HZ LYS 48 9.226 -23.837 36.831
366 2HZ LYS 48 2HZ LYS 48 9.207 -23.872 38.530
367 3HZ LYS 48 1HZ LYS 48 7.812 -23.421 37.671
368 H ALA 49 H ALA 49 15.324 -22.923 37.953
369 HA ALA 49 HA ALA 49 17.091 -20.690 37.937
370 1HB ALA 49 1HB ALA 49 16.667 -23.079 39.453
371 2HB ALA 49 3HB ALA 49 18.380 -22.942 39.049
372 3HB ALA 49 2HB ALA 49 17.567 -21.628 39.904
373 H SER 50 H SER 50 19.555 -21.241 37.747
374 HA SER 50 HA SER 50 19.998 -22.056 35.000
375 1HB SER 50 2HB SER 50 21.123 -20.141 36.520
376 2HB SER 50 1HB SER 50 22.290 -21.434 36.765
377 HG SER 50 HG SER 50 22.242 -21.607 34.369
No H/Q in entry = 377
Start of MODEL 8
1 1H ALA 1 1H ALA 1 3.918 17.183 11.124
2 2H ALA 1 3H ALA 1 4.017 17.963 12.627
3 3H ALA 1 2H ALA 1 3.582 18.844 11.242
4 HA ALA 1 HA ALA 1 5.693 18.849 10.382
5 1HB ALA 1 1HB ALA 1 5.389 20.040 12.683
6 2HB ALA 1 3HB ALA 1 6.452 18.765 13.281
7 3HB ALA 1 2HB ALA 1 7.010 19.857 12.011
8 H GLU 2 H GLU 2 5.665 16.555 13.108
9 HA GLU 2 HA GLU 2 8.013 15.178 12.130
10 1HB GLU 2 2HB GLU 2 7.554 13.624 14.014
11 2HB GLU 2 1HB GLU 2 7.656 15.307 14.522
12 1HG GLU 2 2HG GLU 2 4.945 14.762 13.832
13 2HG GLU 2 1HG GLU 2 5.507 13.474 14.898
14 H GLY 3 H GLY 3 8.016 13.624 10.658
15 1HA GLY 3 2HA GLY 3 7.221 12.235 9.006
16 2HA GLY 3 1HA GLY 3 6.612 11.384 10.416
17 H ASP 4 H ASP 4 4.914 10.661 8.934
18 HA ASP 4 HA ASP 4 2.890 12.700 8.281
19 1HB ASP 4 2HB ASP 4 3.666 10.085 7.162
20 2HB ASP 4 1HB ASP 4 1.927 10.379 7.244
21 H ASP 5 H ASP 5 2.538 9.282 9.018
22 HA ASP 5 HA ASP 5 1.349 9.531 11.545
23 1HB ASP 5 2HB ASP 5 -0.385 10.624 10.074
24 2HB ASP 5 1HB ASP 5 -0.563 9.065 9.269
25 HA PRO 6 HA PRO 6 2.654 5.287 11.033
26 1HB PRO 6 2HB PRO 6 1.602 4.338 13.372
27 2HB PRO 6 1HB PRO 6 3.140 5.214 13.252
28 1HG PRO 6 2HG PRO 6 0.435 6.251 14.005
29 2HG PRO 6 1HG PRO 6 2.012 6.582 14.753
30 1HD PRO 6 2HD PRO 6 0.905 8.345 13.067
31 2HD PRO 6 1HD PRO 6 2.657 8.054 13.052
32 H ALA 7 H ALA 7 -0.565 6.447 11.278
33 HA ALA 7 HA ALA 7 -2.094 4.107 11.111
34 1HB ALA 7 2HB ALA 7 -3.003 6.409 11.406
35 2HB ALA 7 1HB ALA 7 -2.580 6.757 9.726
36 3HB ALA 7 3HB ALA 7 -3.796 5.530 10.096
37 H LYS 8 H LYS 8 -0.203 5.881 8.787
38 HA LYS 8 HA LYS 8 -1.091 4.887 6.365
39 1HB LYS 8 2HB LYS 8 0.987 5.601 5.475
40 2HB LYS 8 1HB LYS 8 0.640 6.688 6.817
41 1HG LYS 8 2HG LYS 8 2.675 6.194 7.608
42 2HG LYS 8 1HG LYS 8 2.050 4.588 7.983
43 1HD LYS 8 2HD LYS 8 2.706 3.845 5.699
44 2HD LYS 8 1HD LYS 8 3.408 5.433 5.410
45 1HE LYS 8 2HE LYS 8 4.921 3.438 6.211
46 2HE LYS 8 1HE LYS 8 5.188 5.061 6.843
47 1HZ LYS 8 1HZ LYS 8 3.448 3.084 8.201
48 2HZ LYS 8 3HZ LYS 8 5.110 3.200 8.514
49 3HZ LYS 8 2HZ LYS 8 4.092 4.523 8.833
50 H ALA 9 H ALA 9 0.691 3.289 8.868
51 HA ALA 9 HA ALA 9 1.599 1.113 7.178
52 1HB ALA 9 3HB ALA 9 2.434 2.149 9.599
53 2HB ALA 9 2HB ALA 9 1.648 0.636 10.056
54 3HB ALA 9 1HB ALA 9 2.970 0.626 8.887
55 H ALA 10 H ALA 10 -0.536 1.307 10.033
56 HA ALA 10 HA ALA 10 -1.593 -1.243 9.971
57 1HB ALA 10 1HB ALA 10 -2.018 0.889 11.534
58 2HB ALA 10 3HB ALA 10 -3.488 0.968 10.564
59 3HB ALA 10 2HB ALA 10 -3.122 -0.487 11.492
60 H PHE 11 H PHE 11 -2.322 1.484 7.909
61 HA PHE 11 HA PHE 11 -4.743 0.490 6.805
62 1HB PHE 11 2HB PHE 11 -3.557 2.862 6.649
63 2HB PHE 11 1HB PHE 11 -2.903 2.168 5.174
64 HD1 PHE 11 HD1 PHE 11 -6.241 1.646 6.726
65 HD2 PHE 11 HD2 PHE 11 -4.100 3.371 3.432
66 HE1 PHE 11 HE1 PHE 11 -8.363 2.174 5.607
67 HE2 PHE 11 HE2 PHE 11 -6.231 3.886 2.335
68 HZ PHE 11 HZ PHE 11 -8.361 3.293 3.415
69 H ASN 12 H ASN 12 -1.354 0.301 5.772
70 HA ASN 12 HA ASN 12 -1.871 -1.268 3.445
71 1HB ASN 12 2HB ASN 12 0.179 0.114 3.814
72 2HB ASN 12 1HB ASN 12 0.700 -1.063 5.021
73 1HD2 ASN 12 2HD2 ASN 12 0.432 -2.323 1.116
74 2HD2 ASN 12 1HD2 ASN 12 -0.710 -1.195 1.756
75 H SER 13 H SER 13 -1.102 -2.009 6.804
76 HA SER 13 HA SER 13 -0.466 -4.699 6.650
77 1HB SER 13 2HB SER 13 -2.259 -3.806 8.845
78 2HB SER 13 1HB SER 13 -0.777 -4.745 8.920
79 HG SER 13 HG SER 13 0.380 -2.815 8.496
80 H LEU 14 H LEU 14 -3.580 -3.109 6.429
81 HA LEU 14 HA LEU 14 -5.313 -5.242 6.809
82 1HB LEU 14 2HB LEU 14 -6.093 -2.955 6.550
83 2HB LEU 14 1HB LEU 14 -5.550 -2.933 4.878
84 HG LEU 14 HG LEU 14 -7.159 -4.580 4.267
85 1HD1 LEU 14 2HD1 LEU 14 -7.042 -5.942 6.330
86 2HD1 LEU 14 1HD1 LEU 14 -8.026 -4.728 7.153
87 3HD1 LEU 14 3HD1 LEU 14 -8.697 -5.640 5.800
88 1HD2 LEU 14 1HD2 LEU 14 -7.892 -2.155 4.586
89 2HD2 LEU 14 3HD2 LEU 14 -9.164 -3.372 4.475
90 3HD2 LEU 14 2HD2 LEU 14 -8.706 -2.720 6.049
91 H GLN 15 H GLN 15 -3.135 -4.615 4.218
92 HA GLN 15 HA GLN 15 -4.416 -6.368 2.308
93 1HB GLN 15 2HB GLN 15 -2.687 -4.335 1.989
94 2HB GLN 15 1HB GLN 15 -1.547 -5.676 2.013
95 1HG GLN 15 2HG GLN 15 -2.263 -5.181 -0.282
96 2HG GLN 15 1HG GLN 15 -2.807 -6.782 0.218
97 1HE2 GLN 15 2HD2 GLN 15 -5.713 -3.884 0.350
98 2HE2 GLN 15 1HD2 GLN 15 -4.155 -3.591 1.034
99 H ALA 16 H ALA 16 -1.969 -6.600 4.779
100 HA ALA 16 HA ALA 16 -0.880 -9.116 3.949
101 1HB ALA 16 2HB ALA 16 -0.767 -7.581 6.548
102 2HB ALA 16 1HB ALA 16 0.088 -9.103 6.276
103 3HB ALA 16 3HB ALA 16 0.480 -7.684 5.303
104 H SER 17 H SER 17 -3.649 -8.122 5.765
105 HA SER 17 HA SER 17 -4.045 -10.520 7.256
106 1HB SER 17 2HB SER 17 -6.245 -9.627 7.723
107 2HB SER 17 1HB SER 17 -5.052 -8.341 7.851
108 HG SER 17 HG SER 17 -7.202 -8.262 6.418
109 H ALA 18 H ALA 18 -5.590 -9.240 4.320
110 HA ALA 18 HA ALA 18 -7.349 -11.245 3.711
111 1HB ALA 18 3HB ALA 18 -6.644 -9.025 2.450
112 2HB ALA 18 2HB ALA 18 -5.717 -10.161 1.468
113 3HB ALA 18 1HB ALA 18 -7.468 -10.340 1.608
114 H THR 19 H THR 19 -3.861 -11.252 3.167
115 HA THR 19 HA THR 19 -3.611 -13.471 1.517
116 HB THR 19 HB THR 19 -1.661 -13.058 3.726
117 HG1 THR 19 HG1 THR 19 -0.951 -11.181 2.830
118 1HG2 THR 19 1HG2 THR 19 -1.541 -14.661 1.631
119 2HG2 THR 19 3HG2 THR 19 -0.994 -13.189 0.827
120 3HG2 THR 19 2HG2 THR 19 -0.107 -13.816 2.219
121 H GLU 20 H GLU 20 -3.906 -13.352 5.051
122 HA GLU 20 HA GLU 20 -3.432 -16.051 5.585
123 1HB GLU 20 2HB GLU 20 -4.765 -13.782 6.959
124 2HB GLU 20 1HB GLU 20 -5.095 -15.393 7.556
125 1HG GLU 20 2HG GLU 20 -3.159 -14.175 8.658
126 2HG GLU 20 1HG GLU 20 -2.799 -15.789 8.057
127 H TYR 21 H TYR 21 -6.185 -14.490 4.184
128 HA TYR 21 HA TYR 21 -7.956 -16.746 4.738
129 1HB TYR 21 2HB TYR 21 -8.279 -13.996 3.651
130 2HB TYR 21 1HB TYR 21 -9.449 -15.216 3.168
131 HD1 TYR 21 HD2 TYR 21 -7.916 -13.557 6.108
132 HD2 TYR 21 HD1 TYR 21 -11.172 -15.881 4.624
133 HE1 TYR 21 HE2 TYR 21 -9.114 -13.241 8.238
134 HE2 TYR 21 HE1 TYR 21 -12.367 -15.564 6.757
135 HH TYR 21 HH TYR 21 -10.839 -14.108 9.524
136 H ILE 22 H ILE 22 -6.100 -15.351 2.116
137 HA ILE 22 HA ILE 22 -7.286 -16.977 0.072
138 HB ILE 22 HB ILE 22 -4.853 -15.197 0.207
139 1HG1 ILE 22 2HG1 ILE 22 -7.529 -14.807 -1.173
140 2HG1 ILE 22 1HG1 ILE 22 -7.031 -14.046 0.356
141 1HG2 ILE 22 3HG2 ILE 22 -4.537 -16.989 -1.453
142 2HG2 ILE 22 2HG2 ILE 22 -6.006 -16.458 -2.274
143 3HG2 ILE 22 1HG2 ILE 22 -4.613 -15.381 -2.169
144 1HD1 ILE 22 1HD1 ILE 22 -5.460 -13.718 -2.222
145 2HD1 ILE 22 3HD1 ILE 22 -6.775 -12.629 -1.775
146 3HD1 ILE 22 2HD1 ILE 22 -5.342 -12.750 -0.751
147 H GLY 23 H GLY 23 -4.662 -17.243 2.332
148 1HA GLY 23 2HA GLY 23 -4.026 -19.906 1.245
149 2HA GLY 23 1HA GLY 23 -2.722 -18.775 1.602
150 H TYR 24 H TYR 24 -5.717 -19.675 3.317
151 HA TYR 24 HA TYR 24 -4.444 -19.609 5.869
152 1HB TYR 24 2HB TYR 24 -6.549 -20.120 6.758
153 2HB TYR 24 1HB TYR 24 -6.867 -19.110 5.360
154 HD1 TYR 24 HD1 TYR 24 -6.647 -22.654 6.415
155 HD2 TYR 24 HD2 TYR 24 -8.375 -19.828 3.745
156 HE1 TYR 24 HE1 TYR 24 -8.153 -24.406 5.542
157 HE2 TYR 24 HE2 TYR 24 -9.879 -21.570 2.862
158 HH TYR 24 HH TYR 24 -9.427 -24.791 3.305
159 H ALA 25 H ALA 25 -4.955 -22.032 3.465
160 HA ALA 25 HA ALA 25 -4.890 -24.390 4.935
161 1HB ALA 25 3HB ALA 25 -3.568 -23.818 2.265
162 2HB ALA 25 2HB ALA 25 -3.897 -25.425 2.914
163 3HB ALA 25 1HB ALA 25 -5.235 -24.348 2.500
164 H TRP 26 H TRP 26 -2.136 -22.506 3.682
165 HA TRP 26 HA TRP 26 -0.092 -24.125 4.705
166 1HB TRP 26 2HB TRP 26 -0.353 -21.406 3.628
167 2HB TRP 26 1HB TRP 26 0.951 -21.598 4.790
168 HD1 TRP 26 1HD TRP 26 0.598 -21.633 1.238
169 HE1 TRP 26 1HE TRP 26 2.293 -23.170 0.107
170 HE3 TRP 26 3HE TRP 26 2.117 -24.416 5.265
171 HZ2 TRP 26 2HZ TRP 26 4.040 -25.260 0.772
172 HZ3 TRP 26 3HZ TRP 26 3.809 -26.173 4.941
173 HH2 TRP 26 HH2 TRP 26 4.764 -26.594 2.715
174 H ALA 27 H ALA 27 -1.723 -21.285 6.088
175 HA ALA 27 HA ALA 27 -0.280 -21.135 8.493
176 1HB ALA 27 3HB ALA 27 -2.886 -20.149 7.494
177 2HB ALA 27 2HB ALA 27 -2.731 -20.267 9.248
178 3HB ALA 27 1HB ALA 27 -1.592 -19.283 8.326
179 H MET 28 H MET 28 -3.284 -22.862 7.689
180 HA MET 28 HA MET 28 -3.851 -23.984 10.164
181 1HB MET 28 2HB MET 28 -4.966 -24.116 7.685
182 2HB MET 28 1HB MET 28 -4.229 -25.707 7.776
183 1HG MET 28 2HG MET 28 -6.453 -24.538 9.419
184 2HG MET 28 1HG MET 28 -6.362 -26.067 8.579
185 1HE MET 28 2HE MET 28 -7.292 -24.965 11.311
186 2HE MET 28 1HE MET 28 -7.009 -26.309 12.416
187 3HE MET 28 3HE MET 28 -6.045 -24.831 12.549
188 H VAL 29 H VAL 29 -1.742 -25.137 7.568
189 HA VAL 29 HA VAL 29 -0.962 -27.570 8.771
190 HB VAL 29 HB VAL 29 0.480 -25.776 6.818
191 1HG1 VAL 29 3HG1 VAL 29 1.050 -28.633 7.612
192 2HG1 VAL 29 2HG1 VAL 29 1.775 -27.807 6.231
193 3HG1 VAL 29 1HG1 VAL 29 2.093 -27.233 7.869
194 1HG2 VAL 29 3HG2 VAL 29 -1.810 -26.811 6.249
195 2HG2 VAL 29 2HG2 VAL 29 -0.487 -27.028 5.100
196 3HG2 VAL 29 1HG2 VAL 29 -0.937 -28.345 6.187
197 H VAL 30 H VAL 30 0.417 -24.313 8.849
198 HA VAL 30 HA VAL 30 2.653 -24.942 10.476
199 HB VAL 30 HB VAL 30 1.172 -22.353 10.075
200 1HG1 VAL 30 1HG1 VAL 30 3.858 -22.909 11.325
201 2HG1 VAL 30 3HG1 VAL 30 3.313 -21.307 10.825
202 3HG1 VAL 30 2HG1 VAL 30 2.448 -22.177 12.094
203 1HG2 VAL 30 2HG2 VAL 30 2.756 -23.849 8.309
204 2HG2 VAL 30 1HG2 VAL 30 2.192 -22.190 8.104
205 3HG2 VAL 30 3HG2 VAL 30 3.763 -22.501 8.844
206 H VAL 31 H VAL 31 -0.647 -23.939 11.127
207 HA VAL 31 HA VAL 31 -0.440 -23.484 13.893
208 HB VAL 31 HB VAL 31 -2.525 -23.806 11.896
209 1HG1 VAL 31 1HG1 VAL 31 -3.136 -24.859 14.656
210 2HG1 VAL 31 3HG1 VAL 31 -4.357 -24.393 13.468
211 3HG1 VAL 31 2HG1 VAL 31 -3.261 -25.736 13.128
212 1HG2 VAL 31 3HG2 VAL 31 -1.664 -21.903 13.685
213 2HG2 VAL 31 2HG2 VAL 31 -3.139 -21.819 12.718
214 3HG2 VAL 31 1HG2 VAL 31 -3.203 -22.426 14.373
215 H ILE 32 H ILE 32 -1.521 -26.384 12.142
216 HA ILE 32 HA ILE 32 -1.770 -28.126 14.282
217 HB ILE 32 HB ILE 32 -1.078 -28.483 11.391
218 1HG1 ILE 32 2HG1 ILE 32 -3.506 -29.195 13.030
219 2HG1 ILE 32 1HG1 ILE 32 -3.344 -27.801 11.970
220 1HG2 ILE 32 2HG2 ILE 32 -0.897 -30.512 13.526
221 2HG2 ILE 32 1HG2 ILE 32 -1.822 -30.991 12.102
222 3HG2 ILE 32 3HG2 ILE 32 -0.142 -30.475 11.932
223 1HD1 ILE 32 1HD1 ILE 32 -2.822 -29.520 10.119
224 2HD1 ILE 32 3HD1 ILE 32 -3.510 -30.708 11.229
225 3HD1 ILE 32 2HD1 ILE 32 -4.496 -29.361 10.655
226 H VAL 33 H VAL 33 1.112 -27.402 12.313
227 HA VAL 33 HA VAL 33 2.841 -29.169 13.660
228 HB VAL 33 HB VAL 33 3.426 -26.679 12.070
229 1HG1 VAL 33 2HG1 VAL 33 5.156 -28.119 13.678
230 2HG1 VAL 33 1HG1 VAL 33 5.448 -28.754 12.057
231 3HG1 VAL 33 3HG1 VAL 33 5.606 -27.025 12.369
232 1HG2 VAL 33 3HG2 VAL 33 2.206 -28.891 11.136
233 2HG2 VAL 33 2HG2 VAL 33 3.300 -27.902 10.167
234 3HG2 VAL 33 1HG2 VAL 33 3.893 -29.371 10.946
235 H GLY 34 H GLY 34 1.884 -25.834 14.138
236 1HA GLY 34 2HA GLY 34 3.840 -25.062 16.021
237 2HA GLY 34 1HA GLY 34 2.239 -24.338 15.843
238 H ALA 35 H ALA 35 0.733 -26.702 16.332
239 HA ALA 35 HA ALA 35 0.549 -26.631 19.159
240 1HB ALA 35 1HB ALA 35 -1.161 -27.352 17.232
241 2HB ALA 35 3HB ALA 35 -0.568 -28.954 17.676
242 3HB ALA 35 2HB ALA 35 -1.322 -27.923 18.895
243 H THR 36 H THR 36 1.638 -29.187 16.936
244 HA THR 36 HA THR 36 2.457 -31.071 18.821
245 HB THR 36 HB THR 36 3.566 -30.435 16.084
246 HG1 THR 36 HG1 THR 36 1.816 -32.519 16.870
247 1HG2 THR 36 3HG2 THR 36 5.166 -31.741 17.464
248 2HG2 THR 36 2HG2 THR 36 3.919 -32.971 17.685
249 3HG2 THR 36 1HG2 THR 36 4.553 -32.636 16.071
250 H ILE 37 H ILE 37 4.574 -28.786 17.065
251 HA ILE 37 HA ILE 37 6.828 -29.200 18.686
252 HB ILE 37 HB ILE 37 6.018 -26.905 16.951
253 1HG1 ILE 37 2HG1 ILE 37 6.399 -29.329 16.106
254 2HG1 ILE 37 1HG1 ILE 37 7.110 -27.983 15.254
255 1HG2 ILE 37 3HG2 ILE 37 8.345 -27.231 18.708
256 2HG2 ILE 37 2HG2 ILE 37 8.732 -26.797 17.041
257 3HG2 ILE 37 1HG2 ILE 37 7.657 -25.771 17.994
258 1HD1 ILE 37 1HD1 ILE 37 8.728 -29.163 17.412
259 2HD1 ILE 37 3HD1 ILE 37 8.498 -30.159 15.975
260 3HD1 ILE 37 2HD1 ILE 37 9.231 -28.558 15.835
261 H GLY 38 H GLY 38 4.005 -27.209 19.038
262 1HA GLY 38 2HA GLY 38 4.974 -25.362 20.960
263 2HA GLY 38 1HA GLY 38 3.281 -25.772 20.679
264 H ILE 39 H ILE 39 3.071 -28.358 21.309
265 HA ILE 39 HA ILE 39 2.753 -28.518 24.015
266 HB ILE 39 HB ILE 39 3.385 -30.679 22.010
267 1HG1 ILE 39 2HG1 ILE 39 0.803 -29.948 23.397
268 2HG1 ILE 39 1HG1 ILE 39 1.273 -29.357 21.806
269 1HG2 ILE 39 3HG2 ILE 39 2.476 -31.025 24.883
270 2HG2 ILE 39 2HG2 ILE 39 2.547 -32.310 23.675
271 3HG2 ILE 39 1HG2 ILE 39 4.034 -31.524 24.220
272 1HD1 ILE 39 1HD1 ILE 39 1.535 -32.248 21.999
273 2HD1 ILE 39 3HD1 ILE 39 -0.110 -31.712 22.351
274 3HD1 ILE 39 2HD1 ILE 39 0.649 -31.277 20.819
275 H LYS 40 H LYS 40 5.726 -28.884 22.224
276 HA LYS 40 HA LYS 40 7.201 -29.921 24.504
277 1HB LYS 40 2HB LYS 40 7.597 -30.390 21.966
278 2HB LYS 40 1HB LYS 40 8.477 -28.865 22.009
279 1HG LYS 40 2HG LYS 40 9.225 -30.523 24.250
280 2HG LYS 40 1HG LYS 40 9.430 -31.404 22.739
281 1HD LYS 40 2HD LYS 40 10.444 -28.890 22.165
282 2HD LYS 40 1HD LYS 40 10.972 -29.178 23.820
283 1HE LYS 40 2HE LYS 40 12.701 -30.114 22.576
284 2HE LYS 40 1HE LYS 40 11.689 -31.511 22.928
285 1HZ LYS 40 2HZ LYS 40 10.654 -30.514 20.618
286 2HZ LYS 40 1HZ LYS 40 12.328 -30.309 20.413
287 3HZ LYS 40 3HZ LYS 40 11.699 -31.847 20.748
288 H LEU 41 H LEU 41 7.764 -27.104 22.396
289 HA LEU 41 HA LEU 41 9.424 -25.693 24.113
290 1HB LEU 41 2HB LEU 41 8.641 -23.654 22.831
291 2HB LEU 41 1HB LEU 41 9.264 -24.972 21.831
292 HG LEU 41 HG LEU 41 6.599 -25.578 22.018
293 1HD1 LEU 41 3HD1 LEU 41 6.131 -23.437 23.136
294 2HD1 LEU 41 2HD1 LEU 41 6.805 -22.580 21.747
295 3HD1 LEU 41 1HD1 LEU 41 5.344 -23.551 21.561
296 1HD2 LEU 41 2HD2 LEU 41 8.195 -25.472 20.033
297 2HD2 LEU 41 1HD2 LEU 41 6.501 -25.083 19.724
298 3HD2 LEU 41 3HD2 LEU 41 7.691 -23.788 19.867
299 H PHE 42 H PHE 42 5.924 -25.645 23.909
300 HA PHE 42 HA PHE 42 5.269 -23.522 25.539
301 1HB PHE 42 2HB PHE 42 3.730 -25.143 24.301
302 2HB PHE 42 1HB PHE 42 3.849 -26.166 25.725
303 HD1 PHE 42 HD2 PHE 42 2.918 -25.429 27.869
304 HD2 PHE 42 HD1 PHE 42 2.478 -23.090 24.325
305 HE1 PHE 42 HE2 PHE 42 1.138 -24.115 28.957
306 HE2 PHE 42 HE1 PHE 42 0.699 -21.777 25.411
307 HZ PHE 42 HZ PHE 42 0.028 -22.289 27.727
308 H LYS 43 H LYS 43 6.536 -26.643 26.418
309 HA LYS 43 HA LYS 43 6.040 -26.368 29.237
310 1HB LYS 43 2HB LYS 43 6.183 -28.593 28.853
311 2HB LYS 43 1HB LYS 43 7.166 -28.380 27.416
312 1HG LYS 43 2HG LYS 43 9.120 -28.437 28.575
313 2HG LYS 43 1HG LYS 43 8.404 -27.877 30.079
314 1HD LYS 43 2HD LYS 43 8.905 -30.179 30.412
315 2HD LYS 43 1HD LYS 43 7.162 -30.069 30.178
316 1HE LYS 43 2HE LYS 43 7.558 -30.619 27.746
317 2HE LYS 43 1HE LYS 43 9.233 -30.962 28.169
318 1HZ LYS 43 3HZ LYS 43 7.258 -32.268 29.828
319 2HZ LYS 43 2HZ LYS 43 7.264 -32.767 28.204
320 3HZ LYS 43 1HZ LYS 43 8.678 -32.885 29.137
321 H LYS 44 H LYS 44 8.572 -25.523 27.009
322 HA LYS 44 HA LYS 44 10.421 -24.839 29.173
323 1HB LYS 44 2HB LYS 44 10.863 -24.464 26.219
324 2HB LYS 44 1HB LYS 44 12.073 -24.573 27.495
325 1HG LYS 44 2HG LYS 44 11.115 -26.952 27.920
326 2HG LYS 44 1HG LYS 44 10.361 -26.769 26.335
327 1HD LYS 44 2HD LYS 44 12.343 -27.781 25.725
328 2HD LYS 44 1HD LYS 44 12.789 -26.080 25.551
329 1HE LYS 44 2HE LYS 44 13.514 -28.024 27.762
330 2HE LYS 44 1HE LYS 44 14.594 -27.076 26.746
331 1HZ LYS 44 2HZ LYS 44 12.737 -25.933 28.763
332 2HZ LYS 44 1HZ LYS 44 14.391 -26.219 29.021
333 3HZ LYS 44 3HZ LYS 44 13.900 -25.087 27.859
334 H PHE 45 H PHE 45 7.989 -23.372 27.305
335 HA PHE 45 HA PHE 45 9.128 -20.683 27.599
336 1HB PHE 45 2HB PHE 45 8.019 -21.633 25.443
337 2HB PHE 45 1HB PHE 45 6.510 -21.305 26.285
338 HD1 PHE 45 HD2 PHE 45 9.628 -19.760 25.021
339 HD2 PHE 45 HD1 PHE 45 5.653 -19.109 26.435
340 HE1 PHE 45 HE2 PHE 45 9.763 -17.402 24.315
341 HE2 PHE 45 HE1 PHE 45 5.789 -16.751 25.729
342 HZ PHE 45 HZ PHE 45 7.844 -15.898 24.669
343 H THR 46 H THR 46 8.562 -21.688 30.011
344 HA THR 46 HA THR 46 6.041 -20.371 30.758
345 HB THR 46 HB THR 46 5.772 -22.738 31.057
346 HG1 THR 46 HG1 THR 46 4.799 -21.681 32.695
347 1HG2 THR 46 3HG2 THR 46 8.450 -22.538 32.368
348 2HG2 THR 46 2HG2 THR 46 7.324 -23.794 32.883
349 3HG2 THR 46 1HG2 THR 46 7.856 -23.723 31.201
350 H SER 47 H SER 47 8.873 -19.414 30.606
351 HA SER 47 HA SER 47 10.351 -18.118 31.836
352 1HB SER 47 2HB SER 47 8.080 -16.952 32.126
353 2HB SER 47 1HB SER 47 8.062 -17.662 33.736
354 HG SER 47 HG SER 47 9.030 -15.629 33.856
355 H LYS 48 H LYS 48 11.199 -17.708 34.107
356 HA LYS 48 HA LYS 48 12.576 -18.736 35.661
357 1HB LYS 48 2HB LYS 48 9.762 -19.233 36.598
358 2HB LYS 48 1HB LYS 48 11.185 -19.358 37.631
359 1HG LYS 48 2HG LYS 48 10.519 -16.865 36.071
360 2HG LYS 48 1HG LYS 48 9.895 -17.151 37.692
361 1HD LYS 48 2HD LYS 48 12.552 -17.660 38.039
362 2HD LYS 48 1HD LYS 48 12.598 -16.413 36.797
363 1HE LYS 48 2HE LYS 48 11.705 -16.243 39.631
364 2HE LYS 48 1HE LYS 48 12.602 -15.081 38.662
365 1HZ LYS 48 3HZ LYS 48 10.332 -14.964 37.385
366 2HZ LYS 48 2HZ LYS 48 9.713 -15.496 38.875
367 3HZ LYS 48 1HZ LYS 48 10.598 -14.048 38.789
368 H ALA 49 H ALA 49 10.012 -21.087 36.196
369 HA ALA 49 HA ALA 49 11.710 -23.276 36.419
370 1HB ALA 49 1HB ALA 49 8.940 -22.746 36.560
371 2HB ALA 49 3HB ALA 49 9.147 -24.112 35.459
372 3HB ALA 49 2HB ALA 49 9.796 -24.196 37.100
373 H SER 50 H SER 50 11.946 -25.131 35.039
374 HA SER 50 HA SER 50 12.417 -24.385 32.274
375 1HB SER 50 2HB SER 50 13.698 -26.056 34.026
376 2HB SER 50 1HB SER 50 12.802 -27.193 33.026
377 HG SER 50 HG SER 50 14.899 -25.473 32.364
No H/Q in entry = 377
Start of MODEL 9
1 1H ALA 1 2H ALA 1 -42.796 -34.848 19.482
2 2H ALA 1 1H ALA 1 -43.537 -34.521 20.976
3 3H ALA 1 3H ALA 1 -44.117 -35.782 20.001
4 HA ALA 1 HA ALA 1 -45.301 -34.446 18.690
5 1HB ALA 1 1HB ALA 1 -44.925 -33.077 21.290
6 2HB ALA 1 3HB ALA 1 -45.637 -32.112 19.996
7 3HB ALA 1 2HB ALA 1 -46.407 -33.618 20.498
8 H GLU 2 H GLU 2 -42.581 -32.547 19.964
9 HA GLU 2 HA GLU 2 -42.480 -31.072 17.410
10 1HB GLU 2 2HB GLU 2 -41.196 -29.385 18.626
11 2HB GLU 2 1HB GLU 2 -42.743 -29.683 19.415
12 1HG GLU 2 2HG GLU 2 -41.630 -31.159 21.038
13 2HG GLU 2 1HG GLU 2 -40.082 -30.859 20.248
14 H GLY 3 H GLY 3 -40.533 -30.868 16.307
15 1HA GLY 3 2HA GLY 3 -38.926 -33.001 15.960
16 2HA GLY 3 1HA GLY 3 -38.410 -31.359 15.606
17 H ASP 4 H ASP 4 -36.481 -33.064 16.321
18 HA ASP 4 HA ASP 4 -35.849 -33.547 18.961
19 1HB ASP 4 2HB ASP 4 -34.203 -32.901 16.547
20 2HB ASP 4 1HB ASP 4 -33.419 -33.026 18.122
21 H ASP 5 H ASP 5 -34.206 -30.934 17.274
22 HA ASP 5 HA ASP 5 -35.000 -28.786 18.854
23 1HB ASP 5 2HB ASP 5 -33.894 -30.081 20.640
24 2HB ASP 5 1HB ASP 5 -32.418 -30.108 19.679
25 HA PRO 6 HA PRO 6 -32.926 -27.121 15.274
26 1HB PRO 6 2HB PRO 6 -32.923 -24.503 16.058
27 2HB PRO 6 1HB PRO 6 -34.327 -25.329 15.358
28 1HG PRO 6 2HG PRO 6 -33.688 -24.808 18.235
29 2HG PRO 6 1HG PRO 6 -35.235 -24.632 17.378
30 1HD PRO 6 2HD PRO 6 -34.748 -26.789 18.899
31 2HD PRO 6 1HD PRO 6 -35.643 -26.936 17.373
32 H ALA 7 H ALA 7 -31.821 -27.018 18.513
33 HA ALA 7 HA ALA 7 -29.366 -25.654 18.246
34 1HB ALA 7 3HB ALA 7 -30.255 -27.897 20.074
35 2HB ALA 7 2HB ALA 7 -28.725 -27.032 20.250
36 3HB ALA 7 1HB ALA 7 -30.254 -26.168 20.434
37 H LYS 8 H LYS 8 -30.434 -28.910 17.565
38 HA LYS 8 HA LYS 8 -27.934 -30.157 17.212
39 1HB LYS 8 2HB LYS 8 -29.142 -31.934 16.207
40 2HB LYS 8 1HB LYS 8 -30.203 -31.258 17.440
41 1HG LYS 8 2HG LYS 8 -31.736 -31.259 15.780
42 2HG LYS 8 1HG LYS 8 -30.929 -29.774 15.282
43 1HD LYS 8 2HD LYS 8 -29.553 -30.992 13.703
44 2HD LYS 8 1HD LYS 8 -30.191 -32.529 14.274
45 1HE LYS 8 2HE LYS 8 -31.128 -31.341 12.083
46 2HE LYS 8 1HE LYS 8 -32.167 -32.289 13.142
47 1HZ LYS 8 2HZ LYS 8 -31.811 -29.349 13.352
48 2HZ LYS 8 1HZ LYS 8 -33.084 -30.096 12.511
49 3HZ LYS 8 3HZ LYS 8 -32.939 -30.307 14.187
50 H ALA 9 H ALA 9 -29.609 -27.857 15.290
51 HA ALA 9 HA ALA 9 -28.951 -28.384 12.689
52 1HB ALA 9 2HB ALA 9 -30.205 -26.389 13.516
53 2HB ALA 9 1HB ALA 9 -28.665 -25.676 14.002
54 3HB ALA 9 3HB ALA 9 -28.988 -26.001 12.298
55 H ALA 10 H ALA 10 -26.845 -27.080 15.202
56 HA ALA 10 HA ALA 10 -24.600 -26.426 13.680
57 1HB ALA 10 2HB ALA 10 -25.219 -26.900 16.476
58 2HB ALA 10 1HB ALA 10 -23.600 -27.471 16.062
59 3HB ALA 10 3HB ALA 10 -24.049 -25.792 15.756
60 H PHE 11 H PHE 11 -25.849 -29.520 14.670
61 HA PHE 11 HA PHE 11 -23.452 -31.020 14.174
62 1HB PHE 11 2HB PHE 11 -25.324 -31.688 15.719
63 2HB PHE 11 1HB PHE 11 -26.283 -32.043 14.288
64 HD1 PHE 11 HD1 PHE 11 -22.892 -32.780 13.601
65 HD2 PHE 11 HD2 PHE 11 -26.315 -34.326 15.661
66 HE1 PHE 11 HE1 PHE 11 -21.923 -35.040 13.533
67 HE2 PHE 11 HE2 PHE 11 -25.334 -36.578 15.583
68 HZ PHE 11 HZ PHE 11 -23.141 -36.938 14.522
69 H ASN 12 H ASN 12 -26.446 -30.417 12.356
70 HA ASN 12 HA ASN 12 -25.490 -31.987 10.099
71 1HB ASN 12 2HB ASN 12 -27.975 -31.508 11.076
72 2HB ASN 12 1HB ASN 12 -27.898 -30.329 9.768
73 1HD2 ASN 12 2HD2 ASN 12 -28.168 -32.674 7.218
74 2HD2 ASN 12 1HD2 ASN 12 -28.045 -31.018 7.700
75 H SER 13 H SER 13 -24.438 -29.192 11.106
76 HA SER 13 HA SER 13 -24.648 -27.726 8.567
77 1HB SER 13 2HB SER 13 -23.192 -26.155 10.285
78 2HB SER 13 1HB SER 13 -24.931 -26.049 10.040
79 HG SER 13 HG SER 13 -23.491 -26.995 12.186
80 H LEU 14 H LEU 14 -22.303 -29.046 10.862
81 HA LEU 14 HA LEU 14 -19.927 -28.288 9.632
82 1HB LEU 14 2HB LEU 14 -19.906 -29.292 11.809
83 2HB LEU 14 1HB LEU 14 -20.628 -30.772 11.195
84 HG LEU 14 HG LEU 14 -18.638 -31.206 9.878
85 1HD1 LEU 14 1HD1 LEU 14 -18.052 -28.769 9.568
86 2HD1 LEU 14 3HD1 LEU 14 -17.323 -28.834 11.176
87 3HD1 LEU 14 2HD1 LEU 14 -16.695 -29.854 9.880
88 1HD2 LEU 14 2HD2 LEU 14 -18.763 -32.013 12.233
89 2HD2 LEU 14 1HD2 LEU 14 -17.117 -31.805 11.634
90 3HD2 LEU 14 3HD2 LEU 14 -17.819 -30.600 12.715
91 H GLN 15 H GLN 15 -22.265 -30.640 8.684
92 HA GLN 15 HA GLN 15 -20.548 -32.114 6.906
93 1HB GLN 15 2HB GLN 15 -22.519 -33.142 7.946
94 2HB GLN 15 1HB GLN 15 -23.562 -32.003 7.100
95 1HG GLN 15 2HG GLN 15 -21.921 -33.187 5.131
96 2HG GLN 15 1HG GLN 15 -22.480 -34.499 6.168
97 1HE2 GLN 15 2HD2 GLN 15 -25.955 -33.901 5.469
98 2HE2 GLN 15 1HD2 GLN 15 -24.878 -34.301 6.759
99 H ALA 16 H ALA 16 -22.353 -29.185 6.741
100 HA ALA 16 HA ALA 16 -22.343 -29.180 3.806
101 1HB ALA 16 2HB ALA 16 -23.741 -27.566 5.909
102 2HB ALA 16 1HB ALA 16 -23.573 -26.932 4.270
103 3HB ALA 16 3HB ALA 16 -24.424 -28.454 4.544
104 H SER 17 H SER 17 -20.713 -27.801 6.537
105 HA SER 17 HA SER 17 -19.354 -25.853 4.790
106 1HB SER 17 2HB SER 17 -20.503 -25.033 6.861
107 2HB SER 17 1HB SER 17 -19.336 -25.956 7.803
108 HG SER 17 HG SER 17 -18.739 -23.889 5.926
109 H ALA 18 H ALA 18 -18.875 -28.850 6.313
110 HA ALA 18 HA ALA 18 -16.266 -28.847 7.196
111 1HB ALA 18 3HB ALA 18 -18.095 -30.862 6.067
112 2HB ALA 18 2HB ALA 18 -16.379 -31.262 5.969
113 3HB ALA 18 1HB ALA 18 -17.116 -30.914 7.534
114 H THR 19 H THR 19 -17.436 -28.917 3.875
115 HA THR 19 HA THR 19 -15.049 -29.585 2.575
116 HB THR 19 HB THR 19 -16.861 -27.617 1.300
117 HG1 THR 19 HG1 THR 19 -18.265 -29.587 0.955
118 1HG2 THR 19 2HG2 THR 19 -14.946 -28.881 0.187
119 2HG2 THR 19 1HG2 THR 19 -15.967 -30.316 0.318
120 3HG2 THR 19 3HG2 THR 19 -16.512 -28.928 -0.627
121 H GLU 20 H GLU 20 -16.302 -26.388 3.524
122 HA GLU 20 HA GLU 20 -14.190 -24.909 2.363
123 1HB GLU 20 2HB GLU 20 -16.387 -24.392 4.302
124 2HB GLU 20 1HB GLU 20 -15.088 -23.228 4.181
125 1HG GLU 20 2HG GLU 20 -17.099 -22.780 2.709
126 2HG GLU 20 1HG GLU 20 -15.552 -22.804 1.873
127 H TYR 21 H TYR 21 -14.225 -26.897 5.121
128 HA TYR 21 HA TYR 21 -12.206 -25.353 6.549
129 1HB TYR 21 2HB TYR 21 -14.004 -27.580 7.180
130 2HB TYR 21 1HB TYR 21 -12.392 -27.747 7.861
131 HD1 TYR 21 HD1 TYR 21 -11.464 -25.511 8.972
132 HD2 TYR 21 HD2 TYR 21 -15.589 -26.452 8.409
133 HE1 TYR 21 HE1 TYR 21 -12.070 -23.937 10.769
134 HE2 TYR 21 HE2 TYR 21 -16.191 -24.877 10.207
135 HH TYR 21 HH TYR 21 -13.837 -22.747 11.655
136 H ILE 22 H ILE 22 -12.498 -28.384 4.754
137 HA ILE 22 HA ILE 22 -9.862 -29.301 5.204
138 HB ILE 22 HB ILE 22 -11.921 -29.853 3.068
139 1HG1 ILE 22 2HG1 ILE 22 -11.073 -31.501 5.474
140 2HG1 ILE 22 1HG1 ILE 22 -12.544 -30.505 5.375
141 1HG2 ILE 22 3HG2 ILE 22 -9.651 -30.340 2.249
142 2HG2 ILE 22 2HG2 ILE 22 -9.421 -31.448 3.604
143 3HG2 ILE 22 1HG2 ILE 22 -10.661 -31.777 2.393
144 1HD1 ILE 22 2HD1 ILE 22 -11.948 -32.714 3.383
145 2HD1 ILE 22 1HD1 ILE 22 -12.802 -33.024 4.896
146 3HD1 ILE 22 3HD1 ILE 22 -13.495 -31.923 3.701
147 H GLY 23 H GLY 23 -11.158 -26.823 3.214
148 1HA GLY 23 2HA GLY 23 -9.377 -26.833 1.041
149 2HA GLY 23 1HA GLY 23 -10.245 -25.424 1.645
150 H TYR 24 H TYR 24 -9.261 -24.836 3.998
151 HA TYR 24 HA TYR 24 -6.495 -24.158 3.433
152 1HB TYR 24 2HB TYR 24 -6.815 -22.302 4.663
153 2HB TYR 24 1HB TYR 24 -8.492 -22.638 4.301
154 HD1 TYR 24 HD1 TYR 24 -8.849 -24.945 6.256
155 HD2 TYR 24 HD2 TYR 24 -7.053 -21.104 6.658
156 HE1 TYR 24 HE1 TYR 24 -9.352 -24.963 8.673
157 HE2 TYR 24 HE2 TYR 24 -7.550 -21.121 9.072
158 HH TYR 24 HH TYR 24 -9.710 -23.065 10.493
159 H ALA 25 H ALA 25 -7.139 -26.893 4.190
160 HA ALA 25 HA ALA 25 -6.489 -27.433 6.882
161 1HB ALA 25 2HB ALA 25 -6.059 -29.144 4.416
162 2HB ALA 25 1HB ALA 25 -5.986 -29.723 6.082
163 3HB ALA 25 3HB ALA 25 -7.510 -29.122 5.421
164 H TRP 26 H TRP 26 -4.447 -27.438 3.957
165 HA TRP 26 HA TRP 26 -2.020 -28.107 5.126
166 1HB TRP 26 2HB TRP 26 -2.920 -26.874 2.642
167 2HB TRP 26 1HB TRP 26 -1.359 -26.267 3.174
168 HD1 TRP 26 1HD TRP 26 -2.555 -28.772 0.929
169 HE1 TRP 26 1HE TRP 26 -0.957 -30.754 0.743
170 HE3 TRP 26 3HE TRP 26 0.334 -27.991 5.088
171 HZ2 TRP 26 2HZ TRP 26 1.219 -31.868 2.122
172 HZ3 TRP 26 3HZ TRP 26 2.162 -29.559 5.594
173 HH2 TRP 26 HH2 TRP 26 2.604 -31.482 4.126
174 H ALA 27 H ALA 27 -3.266 -24.821 4.466
175 HA ALA 27 HA ALA 27 -1.217 -23.382 5.700
176 1HB ALA 27 1HB ALA 27 -4.090 -22.851 5.091
177 2HB ALA 27 3HB ALA 27 -3.255 -21.747 6.187
178 3HB ALA 27 2HB ALA 27 -2.644 -21.995 4.549
179 H MET 28 H MET 28 -4.211 -24.719 7.063
180 HA MET 28 HA MET 28 -3.971 -23.756 9.669
181 1HB MET 28 2HB MET 28 -5.762 -25.332 8.338
182 2HB MET 28 1HB MET 28 -4.961 -26.529 9.343
183 1HG MET 28 2HG MET 28 -6.659 -24.189 10.153
184 2HG MET 28 1HG MET 28 -6.746 -25.865 10.644
185 1HE MET 28 2HE MET 28 -6.923 -23.098 12.003
186 2HE MET 28 1HE MET 28 -6.758 -23.977 13.523
187 3HE MET 28 3HE MET 28 -5.632 -22.671 13.125
188 H VAL 29 H VAL 29 -2.652 -26.645 8.126
189 HA VAL 29 HA VAL 29 -1.441 -27.791 10.401
190 HB VAL 29 HB VAL 29 -0.637 -27.925 7.493
191 1HG1 VAL 29 1HG1 VAL 29 0.321 -29.375 9.923
192 2HG1 VAL 29 3HG1 VAL 29 0.282 -30.208 8.368
193 3HG1 VAL 29 2HG1 VAL 29 1.240 -28.738 8.559
194 1HG2 VAL 29 1HG2 VAL 29 -2.796 -29.128 9.029
195 2HG2 VAL 29 3HG2 VAL 29 -2.558 -29.049 7.281
196 3HG2 VAL 29 2HG2 VAL 29 -1.787 -30.329 8.220
197 H VAL 30 H VAL 30 -0.128 -25.690 7.857
198 HA VAL 30 HA VAL 30 2.456 -25.363 8.854
199 HB VAL 30 HB VAL 30 0.725 -23.410 7.353
200 1HG1 VAL 30 2HG1 VAL 30 3.058 -22.773 8.564
201 2HG1 VAL 30 1HG1 VAL 30 3.648 -23.348 7.003
202 3HG1 VAL 30 3HG1 VAL 30 2.482 -22.026 7.071
203 1HG2 VAL 30 1HG2 VAL 30 1.093 -25.674 6.313
204 2HG2 VAL 30 3HG2 VAL 30 1.646 -24.302 5.351
205 3HG2 VAL 30 2HG2 VAL 30 2.812 -25.279 6.248
206 H VAL 31 H VAL 31 -0.513 -23.591 9.540
207 HA VAL 31 HA VAL 31 0.555 -21.605 11.212
208 HB VAL 31 HB VAL 31 -2.073 -22.724 10.554
209 1HG1 VAL 31 3HG1 VAL 31 -1.719 -21.430 13.259
210 2HG1 VAL 31 2HG1 VAL 31 -3.268 -21.698 12.456
211 3HG1 VAL 31 1HG1 VAL 31 -2.272 -23.076 12.939
212 1HG2 VAL 31 3HG2 VAL 31 -0.759 -20.080 10.838
213 2HG2 VAL 31 2HG2 VAL 31 -1.741 -20.725 9.520
214 3HG2 VAL 31 1HG2 VAL 31 -2.516 -20.134 10.992
215 H ILE 32 H ILE 32 -1.018 -24.671 12.074
216 HA ILE 32 HA ILE 32 -0.512 -24.595 14.820
217 HB ILE 32 HB ILE 32 -1.051 -26.785 12.853
218 1HG1 ILE 32 2HG1 ILE 32 -2.631 -25.553 15.105
219 2HG1 ILE 32 1HG1 ILE 32 -2.902 -25.341 13.378
220 1HG2 ILE 32 2HG2 ILE 32 0.348 -27.803 14.594
221 2HG2 ILE 32 1HG2 ILE 32 -0.728 -27.161 15.837
222 3HG2 ILE 32 3HG2 ILE 32 -1.317 -28.378 14.702
223 1HD1 ILE 32 1HD1 ILE 32 -3.016 -28.039 13.543
224 2HD1 ILE 32 3HD1 ILE 32 -3.626 -27.602 15.140
225 3HD1 ILE 32 2HD1 ILE 32 -4.430 -26.992 13.691
226 H VAL 33 H VAL 33 1.490 -25.770 12.136
227 HA VAL 33 HA VAL 33 3.404 -27.209 13.465
228 HB VAL 33 HB VAL 33 3.693 -25.317 11.140
229 1HG1 VAL 33 3HG1 VAL 33 5.620 -27.380 12.197
230 2HG1 VAL 33 2HG1 VAL 33 5.750 -26.612 10.613
231 3HG1 VAL 33 1HG1 VAL 33 5.881 -25.640 12.080
232 1HG2 VAL 33 3HG2 VAL 33 2.493 -27.879 11.442
233 2HG2 VAL 33 2HG2 VAL 33 2.681 -26.920 9.973
234 3HG2 VAL 33 1HG2 VAL 33 3.939 -28.062 10.448
235 H GLY 34 H GLY 34 3.274 -23.687 13.021
236 1HA GLY 34 2HA GLY 34 5.699 -23.109 14.382
237 2HA GLY 34 1HA GLY 34 4.395 -21.965 14.058
238 H ALA 35 H ALA 35 2.336 -23.369 15.424
239 HA ALA 35 HA ALA 35 2.783 -22.447 18.096
240 1HB ALA 35 1HB ALA 35 0.549 -23.719 16.597
241 2HB ALA 35 3HB ALA 35 0.520 -23.836 18.357
242 3HB ALA 35 2HB ALA 35 0.561 -22.252 17.579
243 H THR 36 H THR 36 2.636 -25.617 16.539
244 HA THR 36 HA THR 36 2.660 -27.315 18.718
245 HB THR 36 HB THR 36 4.203 -27.601 16.141
246 HG1 THR 36 HG1 THR 36 1.721 -28.792 16.727
247 1HG2 THR 36 1HG2 THR 36 3.721 -29.430 18.426
248 2HG2 THR 36 3HG2 THR 36 3.578 -30.116 16.807
249 3HG2 THR 36 2HG2 THR 36 5.085 -29.347 17.309
250 H ILE 37 H ILE 37 5.362 -25.591 17.229
251 HA ILE 37 HA ILE 37 7.521 -26.666 18.528
252 HB ILE 37 HB ILE 37 7.025 -23.771 17.927
253 1HG1 ILE 37 2HG1 ILE 37 7.277 -26.118 16.266
254 2HG1 ILE 37 1HG1 ILE 37 6.888 -24.471 15.819
255 1HG2 ILE 37 1HG2 ILE 37 9.587 -25.318 18.352
256 2HG2 ILE 37 3HG2 ILE 37 9.500 -23.663 17.747
257 3HG2 ILE 37 2HG2 ILE 37 8.941 -24.035 19.379
258 1HD1 ILE 37 1HD1 ILE 37 9.323 -23.954 15.782
259 2HD1 ILE 37 3HD1 ILE 37 9.644 -25.656 16.123
260 3HD1 ILE 37 2HD1 ILE 37 8.857 -25.193 14.612
261 H GLY 38 H GLY 38 5.495 -23.968 19.667
262 1HA GLY 38 2HA GLY 38 6.802 -23.756 22.210
263 2HA GLY 38 1HA GLY 38 5.297 -22.965 21.735
264 H ILE 39 H ILE 39 3.603 -25.002 21.200
265 HA ILE 39 HA ILE 39 2.578 -25.804 23.616
266 HB ILE 39 HB ILE 39 2.450 -27.292 20.993
267 1HG1 ILE 39 2HG1 ILE 39 0.666 -25.188 22.231
268 2HG1 ILE 39 1HG1 ILE 39 1.636 -25.034 20.769
269 1HG2 ILE 39 3HG2 ILE 39 1.518 -28.062 23.570
270 2HG2 ILE 39 2HG2 ILE 39 0.106 -27.615 22.611
271 3HG2 ILE 39 1HG2 ILE 39 1.211 -28.861 22.025
272 1HD1 ILE 39 1HD1 ILE 39 0.271 -26.781 19.688
273 2HD1 ILE 39 3HD1 ILE 39 -0.703 -26.919 21.153
274 3HD1 ILE 39 2HD1 ILE 39 -0.723 -25.422 20.216
275 H LYS 40 H LYS 40 5.220 -27.202 21.837
276 HA LYS 40 HA LYS 40 5.348 -29.642 23.366
277 1HB LYS 40 2HB LYS 40 6.201 -29.549 21.073
278 2HB LYS 40 1HB LYS 40 7.372 -28.321 21.549
279 1HG LYS 40 2HG LYS 40 8.144 -30.094 23.294
280 2HG LYS 40 1HG LYS 40 7.297 -31.237 22.256
281 1HD LYS 40 2HD LYS 40 8.805 -31.019 20.549
282 2HD LYS 40 1HD LYS 40 9.159 -29.337 20.935
283 1HE LYS 40 2HE LYS 40 10.158 -30.530 23.138
284 2HE LYS 40 1HE LYS 40 10.395 -31.823 21.966
285 1HZ LYS 40 2HZ LYS 40 11.236 -29.059 21.372
286 2HZ LYS 40 1HZ LYS 40 12.236 -30.103 22.263
287 3HZ LYS 40 3HZ LYS 40 11.782 -30.512 20.681
288 H LEU 41 H LEU 41 7.794 -27.086 23.000
289 HA LEU 41 HA LEU 41 9.254 -27.621 25.281
290 1HB LEU 41 2HB LEU 41 9.892 -25.159 25.194
291 2HB LEU 41 1HB LEU 41 10.175 -26.068 23.706
292 HG LEU 41 HG LEU 41 7.625 -25.164 23.340
293 1HD1 LEU 41 2HD1 LEU 41 7.855 -23.812 25.448
294 2HD1 LEU 41 1HD1 LEU 41 9.110 -22.878 24.631
295 3HD1 LEU 41 3HD1 LEU 41 7.460 -22.877 24.005
296 1HD2 LEU 41 3HD2 LEU 41 10.225 -23.821 22.593
297 2HD2 LEU 41 2HD2 LEU 41 9.392 -25.085 21.687
298 3HD2 LEU 41 1HD2 LEU 41 8.668 -23.484 21.839
299 H PHE 42 H PHE 42 6.422 -25.586 24.939
300 HA PHE 42 HA PHE 42 6.290 -24.375 27.420
301 1HB PHE 42 2HB PHE 42 4.726 -24.172 25.393
302 2HB PHE 42 1HB PHE 42 3.858 -25.529 26.089
303 HD1 PHE 42 HD2 PHE 42 4.969 -22.051 26.709
304 HD2 PHE 42 HD1 PHE 42 2.374 -25.223 27.916
305 HE1 PHE 42 HE2 PHE 42 3.755 -20.499 28.187
306 HE2 PHE 42 HE1 PHE 42 1.163 -23.669 29.393
307 HZ PHE 42 HZ PHE 42 1.853 -21.307 29.530
308 H LYS 43 H LYS 43 5.655 -27.688 26.561
309 HA LYS 43 HA LYS 43 4.376 -28.357 29.054
310 1HB LYS 43 2HB LYS 43 3.575 -29.827 27.530
311 2HB LYS 43 1HB LYS 43 4.990 -29.684 26.501
312 1HG LYS 43 2HG LYS 43 6.122 -31.334 27.592
313 2HG LYS 43 1HG LYS 43 5.227 -31.139 29.094
314 1HD LYS 43 2HD LYS 43 4.305 -33.102 28.293
315 2HD LYS 43 1HD LYS 43 3.191 -31.904 27.639
316 1HE LYS 43 2HE LYS 43 4.571 -31.919 25.529
317 2HE LYS 43 1HE LYS 43 5.452 -33.291 26.194
318 1HZ LYS 43 3HZ LYS 43 2.991 -34.164 26.503
319 2HZ LYS 43 2HZ LYS 43 2.727 -33.140 25.174
320 3HZ LYS 43 1HZ LYS 43 3.862 -34.400 25.067
321 H LYS 44 H LYS 44 7.621 -28.328 27.785
322 HA LYS 44 HA LYS 44 8.620 -29.785 30.136
323 1HB LYS 44 2HB LYS 44 10.155 -28.861 27.711
324 2HB LYS 44 1HB LYS 44 10.690 -30.001 28.943
325 1HG LYS 44 2HG LYS 44 8.516 -31.330 28.228
326 2HG LYS 44 1HG LYS 44 8.691 -30.399 26.739
327 1HD LYS 44 2HD LYS 44 9.953 -32.263 26.211
328 2HD LYS 44 1HD LYS 44 11.208 -31.193 26.848
329 1HE LYS 44 2HE LYS 44 9.878 -33.568 28.187
330 2HE LYS 44 1HE LYS 44 11.592 -33.309 27.883
331 1HZ LYS 44 1HZ LYS 44 9.957 -31.665 29.739
332 2HZ LYS 44 3HZ LYS 44 10.929 -32.969 30.216
333 3HZ LYS 44 2HZ LYS 44 11.641 -31.592 29.523
334 H PHE 45 H PHE 45 8.131 -26.611 29.078
335 HA PHE 45 HA PHE 45 10.432 -25.489 30.467
336 1HB PHE 45 2HB PHE 45 9.145 -24.688 28.262
337 2HB PHE 45 1HB PHE 45 8.257 -23.753 29.458
338 HD1 PHE 45 HD1 PHE 45 10.251 -23.017 31.410
339 HD2 PHE 45 HD2 PHE 45 10.592 -23.272 27.162
340 HE1 PHE 45 HE1 PHE 45 12.080 -21.365 31.456
341 HE2 PHE 45 HE2 PHE 45 12.419 -21.621 27.208
342 HZ PHE 45 HZ PHE 45 13.164 -20.666 29.356
343 H THR 46 H THR 46 6.871 -25.306 30.741
344 HA THR 46 HA THR 46 7.225 -24.704 33.593
345 HB THR 46 HB THR 46 5.105 -23.245 33.259
346 HG1 THR 46 HG1 THR 46 4.936 -22.368 31.202
347 1HG2 THR 46 2HG2 THR 46 7.730 -22.635 33.552
348 2HG2 THR 46 1HG2 THR 46 7.382 -21.846 32.013
349 3HG2 THR 46 3HG2 THR 46 6.444 -21.432 33.448
350 H SER 47 H SER 47 6.800 -27.228 32.980
351 HA SER 47 HA SER 47 4.163 -27.741 34.046
352 1HB SER 47 2HB SER 47 4.588 -29.391 31.676
353 2HB SER 47 1HB SER 47 3.134 -28.579 32.237
354 HG SER 47 HG SER 47 3.707 -26.788 31.137
355 H LYS 48 H LYS 48 3.898 -29.994 34.644
356 HA LYS 48 HA LYS 48 5.644 -31.142 36.201
357 1HB LYS 48 2HB LYS 48 4.199 -32.915 34.260
358 2HB LYS 48 1HB LYS 48 4.610 -33.249 35.937
359 1HG LYS 48 2HG LYS 48 2.437 -32.682 36.281
360 2HG LYS 48 1HG LYS 48 3.079 -31.043 36.268
361 1HD LYS 48 2HD LYS 48 1.663 -30.615 34.601
362 2HD LYS 48 1HD LYS 48 2.693 -31.621 33.588
363 1HE LYS 48 2HE LYS 48 0.182 -32.169 33.644
364 2HE LYS 48 1HE LYS 48 1.309 -33.506 33.851
365 1HZ LYS 48 1HZ LYS 48 0.340 -32.106 36.235
366 2HZ LYS 48 3HZ LYS 48 -0.710 -33.181 35.451
367 3HZ LYS 48 2HZ LYS 48 0.785 -33.733 36.040
368 H ALA 49 H ALA 49 7.810 -30.883 35.671
369 HA ALA 49 HA ALA 49 9.035 -31.657 33.267
370 1HB ALA 49 2HB ALA 49 9.800 -30.614 35.800
371 2HB ALA 49 1HB ALA 49 10.862 -31.975 35.421
372 3HB ALA 49 3HB ALA 49 10.724 -30.622 34.294
373 H SER 50 H SER 50 11.077 -33.320 33.756
374 HA SER 50 HA SER 50 9.829 -35.873 34.573
375 1HB SER 50 2HB SER 50 9.918 -36.082 32.254
376 2HB SER 50 1HB SER 50 11.426 -35.183 32.131
377 HG SER 50 HG SER 50 10.994 -37.851 32.988
No H/Q in entry = 377
Start of MODEL 10
1 1H ALA 1 1H ALA 1 -29.993 -1.552 9.875
2 2H ALA 1 3H ALA 1 -31.433 -1.147 10.675
3 3H ALA 1 2H ALA 1 -30.044 -0.193 10.891
4 HA ALA 1 HA ALA 1 -30.134 -1.445 12.817
5 1HB ALA 1 2HB ALA 1 -31.713 -3.158 11.345
6 2HB ALA 1 1HB ALA 1 -30.261 -4.119 11.635
7 3HB ALA 1 3HB ALA 1 -31.156 -3.442 12.997
8 H GLU 2 H GLU 2 -28.491 -2.956 13.708
9 HA GLU 2 HA GLU 2 -25.984 -2.613 12.282
10 1HB GLU 2 2HB GLU 2 -25.006 -3.578 14.369
11 2HB GLU 2 1HB GLU 2 -25.990 -2.141 14.649
12 1HG GLU 2 2HG GLU 2 -27.550 -3.286 15.828
13 2HG GLU 2 1HG GLU 2 -27.461 -4.695 14.770
14 H GLY 3 H GLY 3 -24.827 -4.178 11.307
15 1HA GLY 3 2HA GLY 3 -24.545 -6.101 10.079
16 2HA GLY 3 1HA GLY 3 -24.562 -6.790 11.693
17 H ASP 4 H ASP 4 -25.398 -8.706 10.594
18 HA ASP 4 HA ASP 4 -28.204 -8.547 9.723
19 1HB ASP 4 2HB ASP 4 -25.930 -10.334 9.185
20 2HB ASP 4 1HB ASP 4 -27.472 -11.160 9.420
21 H ASP 5 H ASP 5 -26.430 -11.121 11.327
22 HA ASP 5 HA ASP 5 -27.748 -11.000 13.807
23 1HB ASP 5 2HB ASP 5 -29.641 -11.721 12.367
24 2HB ASP 5 1HB ASP 5 -28.688 -13.125 11.887
25 HA PRO 6 HA PRO 6 -24.020 -13.368 14.416
26 1HB PRO 6 2HB PRO 6 -24.513 -14.121 16.994
27 2HB PRO 6 1HB PRO 6 -23.900 -12.526 16.526
28 1HG PRO 6 2HG PRO 6 -26.705 -13.357 17.157
29 2HG PRO 6 1HG PRO 6 -25.826 -11.898 17.661
30 1HD PRO 6 2HD PRO 6 -27.584 -11.817 15.629
31 2HD PRO 6 1HD PRO 6 -26.087 -10.863 15.580
32 H ALA 7 H ALA 7 -27.228 -14.540 14.505
33 HA ALA 7 HA ALA 7 -26.851 -17.261 15.130
34 1HB ALA 7 1HB ALA 7 -28.853 -15.838 13.363
35 2HB ALA 7 3HB ALA 7 -28.963 -17.549 13.789
36 3HB ALA 7 2HB ALA 7 -29.072 -16.318 15.050
37 H LYS 8 H LYS 8 -26.402 -15.348 12.254
38 HA LYS 8 HA LYS 8 -26.212 -17.356 10.311
39 1HB LYS 8 2HB LYS 8 -25.250 -15.692 8.923
40 2HB LYS 8 1HB LYS 8 -26.373 -14.847 9.985
41 1HG LYS 8 2HG LYS 8 -24.622 -13.456 10.323
42 2HG LYS 8 1HG LYS 8 -24.099 -14.699 11.456
43 1HD LYS 8 2HD LYS 8 -22.711 -15.726 9.721
44 2HD LYS 8 1HD LYS 8 -23.270 -14.537 8.548
45 1HE LYS 8 2HE LYS 8 -20.963 -14.248 9.827
46 2HE LYS 8 1HE LYS 8 -21.966 -12.859 9.420
47 1HZ LYS 8 3HZ LYS 8 -22.101 -14.276 12.022
48 2HZ LYS 8 2HZ LYS 8 -21.132 -12.909 11.744
49 3HZ LYS 8 1HZ LYS 8 -22.822 -12.796 11.617
50 H ALA 9 H ALA 9 -23.980 -16.325 12.762
51 HA ALA 9 HA ALA 9 -21.510 -17.030 11.814
52 1HB ALA 9 3HB ALA 9 -22.753 -17.279 14.532
53 2HB ALA 9 2HB ALA 9 -21.102 -17.832 14.248
54 3HB ALA 9 1HB ALA 9 -21.527 -16.142 13.967
55 H ALA 10 H ALA 10 -24.153 -19.150 12.605
56 HA ALA 10 HA ALA 10 -22.649 -21.567 12.795
57 1HB ALA 10 3HB ALA 10 -25.403 -20.765 12.966
58 2HB ALA 10 2HB ALA 10 -25.259 -22.174 11.912
59 3HB ALA 10 1HB ALA 10 -24.636 -22.238 13.563
60 H PHE 11 H PHE 11 -24.718 -20.265 10.197
61 HA PHE 11 HA PHE 11 -24.094 -22.231 8.280
62 1HB PHE 11 2HB PHE 11 -26.010 -20.633 8.178
63 2HB PHE 11 1HB PHE 11 -24.867 -19.358 7.776
64 HD1 PHE 11 HD2 PHE 11 -23.831 -22.451 6.360
65 HD2 PHE 11 HD1 PHE 11 -26.568 -19.210 5.765
66 HE1 PHE 11 HE2 PHE 11 -24.028 -23.043 3.978
67 HE2 PHE 11 HE1 PHE 11 -26.753 -19.814 3.389
68 HZ PHE 11 HZ PHE 11 -25.487 -21.726 2.494
69 H ASN 12 H ASN 12 -22.620 -19.111 9.026
70 HA ASN 12 HA ASN 12 -20.810 -19.056 6.842
71 1HB ASN 12 2HB ASN 12 -21.553 -17.179 8.506
72 2HB ASN 12 1HB ASN 12 -20.184 -17.753 9.460
73 1HD2 ASN 12 2HD2 ASN 12 -19.485 -16.144 5.742
74 2HD2 ASN 12 1HD2 ASN 12 -20.973 -16.953 6.085
75 H SER 13 H SER 13 -20.787 -20.753 9.859
76 HA SER 13 HA SER 13 -17.921 -21.320 9.625
77 1HB SER 13 2HB SER 13 -19.292 -20.737 11.818
78 2HB SER 13 1HB SER 13 -19.561 -22.475 11.809
79 HG SER 13 HG SER 13 -17.476 -22.795 12.210
80 H LEU 14 H LEU 14 -21.046 -23.023 9.823
81 HA LEU 14 HA LEU 14 -20.147 -25.635 9.646
82 1HB LEU 14 2HB LEU 14 -22.543 -24.795 9.919
83 2HB LEU 14 1HB LEU 14 -22.583 -24.651 8.168
84 HG LEU 14 HG LEU 14 -22.191 -26.984 7.902
85 1HD1 LEU 14 1HD1 LEU 14 -21.748 -27.051 10.877
86 2HD1 LEU 14 3HD1 LEU 14 -22.055 -28.501 9.920
87 3HD1 LEU 14 2HD1 LEU 14 -20.627 -27.518 9.596
88 1HD2 LEU 14 2HD2 LEU 14 -24.523 -26.159 8.537
89 2HD2 LEU 14 1HD2 LEU 14 -24.213 -27.889 8.677
90 3HD2 LEU 14 3HD2 LEU 14 -24.212 -26.876 10.121
91 H GLN 15 H GLN 15 -20.198 -23.153 7.251
92 HA GLN 15 HA GLN 15 -19.740 -24.929 5.006
93 1HB GLN 15 2HB GLN 15 -20.911 -22.629 4.971
94 2HB GLN 15 1HB GLN 15 -19.286 -21.957 5.024
95 1HG GLN 15 2HG GLN 15 -18.904 -23.673 3.030
96 2HG GLN 15 1HG GLN 15 -20.645 -23.462 2.849
97 1HE2 GLN 15 2HD2 GLN 15 -20.108 -19.787 2.527
98 2HE2 GLN 15 1HD2 GLN 15 -20.876 -20.813 3.685
99 H ALA 16 H ALA 16 -17.885 -23.097 7.307
100 HA ALA 16 HA ALA 16 -15.406 -23.142 5.870
101 1HB ALA 16 2HB ALA 16 -15.896 -21.412 7.536
102 2HB ALA 16 1HB ALA 16 -15.995 -22.647 8.795
103 3HB ALA 16 3HB ALA 16 -14.457 -22.327 7.990
104 H SER 17 H SER 17 -16.882 -25.043 8.434
105 HA SER 17 HA SER 17 -14.836 -26.621 9.323
106 1HB SER 17 2HB SER 17 -17.625 -27.574 8.675
107 2HB SER 17 1HB SER 17 -16.495 -28.345 9.783
108 HG SER 17 HG SER 17 -18.185 -26.288 10.233
109 H ALA 18 H ALA 18 -16.340 -26.713 6.179
110 HA ALA 18 HA ALA 18 -14.936 -29.205 5.507
111 1HB ALA 18 1HB ALA 18 -17.456 -28.185 4.822
112 2HB ALA 18 3HB ALA 18 -16.491 -28.095 3.348
113 3HB ALA 18 2HB ALA 18 -16.681 -29.637 4.185
114 H THR 19 H THR 19 -15.456 -25.971 4.080
115 HA THR 19 HA THR 19 -13.364 -26.258 2.175
116 HB THR 19 HB THR 19 -14.556 -23.681 3.122
117 HG1 THR 19 HG1 THR 19 -15.605 -25.263 1.037
118 1HG2 THR 19 3HG2 THR 19 -12.733 -24.409 1.041
119 2HG2 THR 19 2HG2 THR 19 -14.225 -23.803 0.321
120 3HG2 THR 19 1HG2 THR 19 -13.336 -22.809 1.476
121 H GLU 20 H GLU 20 -13.099 -25.831 5.466
122 HA GLU 20 HA GLU 20 -11.172 -23.834 5.759
123 1HB GLU 20 2HB GLU 20 -12.189 -26.096 7.329
124 2HB GLU 20 1HB GLU 20 -10.531 -25.655 7.685
125 1HG GLU 20 2HG GLU 20 -11.236 -23.322 8.054
126 2HG GLU 20 1HG GLU 20 -12.905 -23.786 7.730
127 H TYR 21 H TYR 21 -10.853 -27.206 4.784
128 HA TYR 21 HA TYR 21 -7.936 -26.987 4.823
129 1HB TYR 21 2HB TYR 21 -9.750 -29.331 4.252
130 2HB TYR 21 1HB TYR 21 -7.999 -29.397 4.360
131 HD1 TYR 21 HD1 TYR 21 -6.895 -28.827 6.557
132 HD2 TYR 21 HD2 TYR 21 -11.102 -29.433 6.170
133 HE1 TYR 21 HE1 TYR 21 -7.071 -29.173 8.992
134 HE2 TYR 21 HE2 TYR 21 -11.275 -29.778 8.604
135 HH TYR 21 HH TYR 21 -9.212 -30.627 10.496
136 H ILE 22 H ILE 22 -10.522 -27.875 2.516
137 HA ILE 22 HA ILE 22 -8.993 -28.246 0.256
138 HB ILE 22 HB ILE 22 -11.760 -27.122 0.665
139 1HG1 ILE 22 2HG1 ILE 22 -10.838 -29.851 -0.294
140 2HG1 ILE 22 1HG1 ILE 22 -11.420 -29.473 1.344
141 1HG2 ILE 22 1HG2 ILE 22 -10.232 -27.145 -1.773
142 2HG2 ILE 22 3HG2 ILE 22 -11.675 -28.149 -1.917
143 3HG2 ILE 22 2HG2 ILE 22 -11.819 -26.459 -1.436
144 1HD1 ILE 22 2HD1 ILE 22 -13.084 -28.980 -1.147
145 2HD1 ILE 22 1HD1 ILE 22 -13.133 -30.504 -0.257
146 3HD1 ILE 22 3HD1 ILE 22 -13.630 -29.004 0.532
147 H GLY 23 H GLY 23 -9.749 -25.311 1.940
148 1HA GLY 23 2HA GLY 23 -9.010 -23.574 -0.266
149 2HA GLY 23 1HA GLY 23 -9.466 -23.071 1.360
150 H TYR 24 H TYR 24 -7.828 -23.678 3.091
151 HA TYR 24 HA TYR 24 -5.085 -23.383 2.067
152 1HB TYR 24 2HB TYR 24 -4.784 -22.102 4.299
153 2HB TYR 24 1HB TYR 24 -5.447 -21.280 2.896
154 HD1 TYR 24 HD2 TYR 24 -7.051 -23.644 5.284
155 HD2 TYR 24 HD1 TYR 24 -6.881 -19.673 3.740
156 HE1 TYR 24 HE2 TYR 24 -9.040 -23.039 6.612
157 HE2 TYR 24 HE1 TYR 24 -8.869 -19.069 5.063
158 HH TYR 24 HH TYR 24 -10.027 -19.849 7.108
159 H ALA 25 H ALA 25 -6.102 -25.899 2.621
160 HA ALA 25 HA ALA 25 -5.915 -26.931 5.170
161 1HB ALA 25 3HB ALA 25 -5.151 -28.090 2.491
162 2HB ALA 25 2HB ALA 25 -4.971 -29.025 3.975
163 3HB ALA 25 1HB ALA 25 -6.565 -28.453 3.483
164 H TRP 26 H TRP 26 -3.230 -26.649 2.841
165 HA TRP 26 HA TRP 26 -1.181 -27.570 4.465
166 1HB TRP 26 2HB TRP 26 -1.421 -25.963 2.019
167 2HB TRP 26 1HB TRP 26 0.040 -25.664 2.948
168 HD1 TRP 26 1HD TRP 26 -0.819 -27.612 0.118
169 HE1 TRP 26 1HE TRP 26 0.498 -29.796 -0.021
170 HE3 TRP 26 3HE TRP 26 0.923 -27.919 4.928
171 HZ2 TRP 26 2HZ TRP 26 2.057 -31.445 1.628
172 HZ3 TRP 26 3HZ TRP 26 2.325 -29.833 5.578
173 HH2 TRP 26 HH2 TRP 26 2.889 -31.583 3.945
174 H ALA 27 H ALA 27 -2.399 -24.254 4.058
175 HA ALA 27 HA ALA 27 -0.566 -23.026 5.836
176 1HB ALA 27 3HB ALA 27 -2.533 -22.143 4.130
177 2HB ALA 27 2HB ALA 27 -3.220 -21.796 5.719
178 3HB ALA 27 1HB ALA 27 -1.646 -21.133 5.274
179 H MET 28 H MET 28 -3.896 -24.216 6.298
180 HA MET 28 HA MET 28 -4.231 -23.550 8.977
181 1HB MET 28 2HB MET 28 -5.704 -24.900 7.087
182 2HB MET 28 1HB MET 28 -5.265 -26.198 8.186
183 1HG MET 28 2HG MET 28 -6.978 -23.782 8.675
184 2HG MET 28 1HG MET 28 -7.285 -25.466 9.026
185 1HE MET 28 3HE MET 28 -7.476 -22.595 10.439
186 2HE MET 28 2HE MET 28 -6.870 -22.676 12.092
187 3HE MET 28 1HE MET 28 -5.830 -22.060 10.809
188 H VAL 29 H VAL 29 -2.607 -26.274 7.467
189 HA VAL 29 HA VAL 29 -2.066 -27.730 9.851
190 HB VAL 29 HB VAL 29 -0.668 -27.697 7.175
191 1HG1 VAL 29 3HG1 VAL 29 -0.068 -29.111 9.662
192 2HG1 VAL 29 2HG1 VAL 29 -0.242 -30.177 8.265
193 3HG1 VAL 29 1HG1 VAL 29 0.931 -28.860 8.229
194 1HG2 VAL 29 3HG2 VAL 29 -3.209 -28.539 7.749
195 2HG2 VAL 29 2HG2 VAL 29 -2.222 -29.121 6.407
196 3HG2 VAL 29 1HG2 VAL 29 -2.275 -30.026 7.922
197 H VAL 30 H VAL 30 -0.009 -25.652 7.815
198 HA VAL 30 HA VAL 30 2.248 -25.558 9.432
199 HB VAL 30 HB VAL 30 1.055 -23.453 7.643
200 1HG1 VAL 30 1HG1 VAL 30 3.396 -23.357 9.377
201 2HG1 VAL 30 3HG1 VAL 30 3.769 -23.009 7.687
202 3HG1 VAL 30 2HG1 VAL 30 2.553 -22.053 8.536
203 1HG2 VAL 30 3HG2 VAL 30 1.894 -25.833 6.850
204 2HG2 VAL 30 2HG2 VAL 30 2.209 -24.378 5.899
205 3HG2 VAL 30 1HG2 VAL 30 3.469 -25.041 6.944
206 H VAL 31 H VAL 31 -0.704 -23.637 9.532
207 HA VAL 31 HA VAL 31 0.005 -21.778 11.494
208 HB VAL 31 HB VAL 31 -2.488 -22.889 10.361
209 1HG1 VAL 31 3HG1 VAL 31 -2.527 -21.512 13.049
210 2HG1 VAL 31 2HG1 VAL 31 -3.939 -21.731 12.012
211 3HG1 VAL 31 1HG1 VAL 31 -3.104 -23.138 12.677
212 1HG2 VAL 31 3HG2 VAL 31 -1.531 -20.107 11.039
213 2HG2 VAL 31 2HG2 VAL 31 -1.491 -20.885 9.455
214 3HG2 VAL 31 1HG2 VAL 31 -3.038 -20.478 10.201
215 H ILE 32 H ILE 32 -1.856 -24.779 11.937
216 HA ILE 32 HA ILE 32 -1.779 -24.852 14.724
217 HB ILE 32 HB ILE 32 -2.106 -26.925 12.590
218 1HG1 ILE 32 2HG1 ILE 32 -3.983 -25.745 14.631
219 2HG1 ILE 32 1HG1 ILE 32 -3.914 -25.337 12.921
220 1HG2 ILE 32 1HG2 ILE 32 -1.969 -27.372 15.559
221 2HG2 ILE 32 3HG2 ILE 32 -2.958 -28.409 14.529
222 3HG2 ILE 32 2HG2 ILE 32 -1.217 -28.304 14.262
223 1HD1 ILE 32 2HD1 ILE 32 -4.177 -28.194 13.281
224 2HD1 ILE 32 1HD1 ILE 32 -5.478 -27.331 14.104
225 3HD1 ILE 32 3HD1 ILE 32 -5.207 -27.080 12.378
226 H VAL 33 H VAL 33 0.511 -26.113 12.321
227 HA VAL 33 HA VAL 33 2.152 -27.622 13.941
228 HB VAL 33 HB VAL 33 2.864 -25.875 11.592
229 1HG1 VAL 33 3HG1 VAL 33 4.420 -28.109 12.887
230 2HG1 VAL 33 2HG1 VAL 33 4.837 -27.333 11.358
231 3HG1 VAL 33 1HG1 VAL 33 4.860 -26.402 12.858
232 1HG2 VAL 33 2HG2 VAL 33 1.267 -28.145 11.715
233 2HG2 VAL 33 1HG2 VAL 33 2.018 -27.465 10.270
234 3HG2 VAL 33 3HG2 VAL 33 2.836 -28.744 11.171
235 H GLY 34 H GLY 34 2.099 -24.135 13.397
236 1HA GLY 34 2HA GLY 34 4.441 -23.415 14.757
237 2HA GLY 34 1HA GLY 34 3.022 -22.382 14.561
238 H ALA 35 H ALA 35 1.239 -24.235 15.912
239 HA ALA 35 HA ALA 35 1.641 -23.346 18.609
240 1HB ALA 35 3HB ALA 35 -0.590 -23.692 17.420
241 2HB ALA 35 2HB ALA 35 -0.347 -25.418 17.693
242 3HB ALA 35 1HB ALA 35 -0.471 -24.315 19.067
243 H THR 36 H THR 36 2.220 -26.280 16.815
244 HA THR 36 HA THR 36 2.496 -28.114 18.923
245 HB THR 36 HB THR 36 4.096 -28.075 16.368
246 HG1 THR 36 HG1 THR 36 1.476 -29.069 16.837
247 1HG2 THR 36 3HG2 THR 36 3.191 -30.296 18.202
248 2HG2 THR 36 2HG2 THR 36 3.914 -30.552 16.612
249 3HG2 THR 36 1HG2 THR 36 4.849 -29.776 17.892
250 H ILE 37 H ILE 37 4.857 -25.958 17.388
251 HA ILE 37 HA ILE 37 7.178 -26.726 18.644
252 HB ILE 37 HB ILE 37 6.311 -23.923 18.041
253 1HG1 ILE 37 2HG1 ILE 37 6.784 -26.240 16.369
254 2HG1 ILE 37 1HG1 ILE 37 6.144 -24.668 15.945
255 1HG2 ILE 37 2HG2 ILE 37 8.352 -24.169 19.458
256 2HG2 ILE 37 1HG2 ILE 37 9.092 -25.101 18.154
257 3HG2 ILE 37 3HG2 ILE 37 8.658 -23.409 17.894
258 1HD1 ILE 37 3HD1 ILE 37 8.473 -23.813 15.774
259 2HD1 ILE 37 2HD1 ILE 37 9.053 -25.445 16.116
260 3HD1 ILE 37 1HD1 ILE 37 8.138 -25.125 14.642
261 H GLY 38 H GLY 38 4.793 -24.350 19.794
262 1HA GLY 38 2HA GLY 38 6.059 -23.666 22.210
263 2HA GLY 38 1HA GLY 38 4.331 -23.512 21.883
264 H ILE 39 H ILE 39 3.531 -26.088 21.542
265 HA ILE 39 HA ILE 39 3.123 -27.040 24.112
266 HB ILE 39 HB ILE 39 3.131 -28.569 21.512
267 1HG1 ILE 39 2HG1 ILE 39 0.915 -27.202 23.046
268 2HG1 ILE 39 1HG1 ILE 39 1.606 -26.670 21.518
269 1HG2 ILE 39 3HG2 ILE 39 1.969 -29.283 24.214
270 2HG2 ILE 39 2HG2 ILE 39 1.596 -30.135 22.714
271 3HG2 ILE 39 1HG2 ILE 39 3.244 -30.144 23.349
272 1HD1 ILE 39 2HD1 ILE 39 0.893 -29.288 20.997
273 2HD1 ILE 39 1HD1 ILE 39 -0.413 -28.717 22.040
274 3HD1 ILE 39 3HD1 ILE 39 -0.037 -27.860 20.543
275 H LYS 40 H LYS 40 5.852 -27.450 22.023
276 HA LYS 40 HA LYS 40 6.978 -29.685 23.482
277 1HB LYS 40 2HB LYS 40 7.395 -28.487 20.975
278 2HB LYS 40 1HB LYS 40 8.886 -28.225 21.882
279 1HG LYS 40 2HG LYS 40 9.091 -30.346 20.724
280 2HG LYS 40 1HG LYS 40 8.857 -30.703 22.437
281 1HD LYS 40 2HD LYS 40 6.960 -31.815 22.023
282 2HD LYS 40 1HD LYS 40 6.321 -30.493 21.047
283 1HE LYS 40 2HE LYS 40 8.423 -31.820 19.608
284 2HE LYS 40 1HE LYS 40 7.250 -33.011 20.163
285 1HZ LYS 40 3HZ LYS 40 6.479 -30.519 18.761
286 2HZ LYS 40 2HZ LYS 40 6.794 -31.977 17.947
287 3HZ LYS 40 1HZ LYS 40 5.517 -31.883 19.065
288 H LEU 41 H LEU 41 8.143 -26.382 22.849
289 HA LEU 41 HA LEU 41 10.073 -26.316 24.869
290 1HB LEU 41 2HB LEU 41 9.814 -23.802 24.692
291 2HB LEU 41 1HB LEU 41 10.164 -24.623 23.168
292 HG LEU 41 HG LEU 41 7.415 -24.633 23.263
293 1HD1 LEU 41 2HD1 LEU 41 7.534 -23.131 25.253
294 2HD1 LEU 41 1HD1 LEU 41 8.313 -21.922 24.228
295 3HD1 LEU 41 3HD1 LEU 41 6.663 -22.444 23.880
296 1HD2 LEU 41 1HD2 LEU 41 9.455 -23.626 21.651
297 2HD2 LEU 41 3HD2 LEU 41 7.739 -23.730 21.252
298 3HD2 LEU 41 2HD2 LEU 41 8.392 -22.252 21.961
299 H PHE 42 H PHE 42 6.686 -25.454 24.936
300 HA PHE 42 HA PHE 42 6.546 -24.287 27.482
301 1HB PHE 42 2HB PHE 42 4.776 -24.397 25.633
302 2HB PHE 42 1HB PHE 42 4.363 -25.971 26.293
303 HD1 PHE 42 HD1 PHE 42 4.451 -22.350 26.962
304 HD2 PHE 42 HD2 PHE 42 3.200 -26.180 28.377
305 HE1 PHE 42 HE1 PHE 42 3.035 -21.261 28.660
306 HE2 PHE 42 HE2 PHE 42 1.785 -25.091 30.073
307 HZ PHE 42 HZ PHE 42 1.702 -22.632 30.216
308 H LYS 43 H LYS 43 6.615 -27.621 26.463
309 HA LYS 43 HA LYS 43 5.712 -28.832 28.844
310 1HB LYS 43 2HB LYS 43 5.756 -30.521 27.372
311 2HB LYS 43 1HB LYS 43 6.887 -29.678 26.332
312 1HG LYS 43 2HG LYS 43 8.728 -30.584 27.385
313 2HG LYS 43 1HG LYS 43 7.837 -31.004 28.842
314 1HD LYS 43 2HD LYS 43 8.037 -33.068 27.821
315 2HD LYS 43 1HD LYS 43 6.460 -32.520 27.253
316 1HE LYS 43 2HE LYS 43 7.146 -32.601 25.124
317 2HE LYS 43 1HE LYS 43 8.517 -31.557 25.487
318 1HZ LYS 43 1HZ LYS 43 8.607 -34.409 26.205
319 2HZ LYS 43 3HZ LYS 43 8.920 -33.931 24.608
320 3HZ LYS 43 2HZ LYS 43 9.887 -33.342 25.876
321 H LYS 44 H LYS 44 8.908 -27.776 27.796
322 HA LYS 44 HA LYS 44 10.287 -28.841 30.062
323 1HB LYS 44 2HB LYS 44 10.958 -26.972 27.833
324 2HB LYS 44 1HB LYS 44 12.028 -27.058 29.230
325 1HG LYS 44 2HG LYS 44 11.142 -29.603 27.886
326 2HG LYS 44 1HG LYS 44 12.451 -28.647 27.181
327 1HD LYS 44 2HD LYS 44 13.672 -30.032 28.553
328 2HD LYS 44 1HD LYS 44 13.411 -28.672 29.654
329 1HE LYS 44 2HE LYS 44 12.970 -31.066 30.555
330 2HE LYS 44 1HE LYS 44 11.716 -29.863 30.853
331 1HZ LYS 44 2HZ LYS 44 11.625 -31.597 28.467
332 2HZ LYS 44 1HZ LYS 44 11.041 -32.143 29.966
333 3HZ LYS 44 3HZ LYS 44 10.356 -30.773 29.240
334 H PHE 45 H PHE 45 8.320 -26.087 29.609
335 HA PHE 45 HA PHE 45 9.590 -24.457 31.633
336 1HB PHE 45 2HB PHE 45 8.383 -23.500 29.681
337 2HB PHE 45 1HB PHE 45 6.878 -24.118 30.354
338 HD1 PHE 45 HD2 PHE 45 9.780 -21.927 31.173
339 HD2 PHE 45 HD1 PHE 45 5.662 -22.827 31.852
340 HE1 PHE 45 HE2 PHE 45 9.559 -19.885 32.536
341 HE2 PHE 45 HE1 PHE 45 5.439 -20.786 33.214
342 HZ PHE 45 HZ PHE 45 7.387 -19.314 33.557
343 H THR 46 H THR 46 6.738 -26.555 31.428
344 HA THR 46 HA THR 46 6.625 -26.543 34.356
345 HB THR 46 HB THR 46 4.134 -26.459 34.221
346 HG1 THR 46 HG1 THR 46 3.351 -25.505 32.210
347 1HG2 THR 46 3HG2 THR 46 6.014 -24.283 33.793
348 2HG2 THR 46 2HG2 THR 46 4.400 -23.902 33.187
349 3HG2 THR 46 1HG2 THR 46 4.621 -24.374 34.874
350 H SER 47 H SER 47 4.663 -27.939 31.735
351 HA SER 47 HA SER 47 4.027 -30.344 32.864
352 1HB SER 47 2HB SER 47 4.166 -29.284 30.171
353 2HB SER 47 1HB SER 47 4.517 -31.008 30.208
354 HG SER 47 HG SER 47 2.533 -31.378 31.131
355 H LYS 48 H LYS 48 4.825 -32.543 32.017
356 HA LYS 48 HA LYS 48 6.412 -34.146 32.507
357 1HB LYS 48 2HB LYS 48 7.642 -32.470 30.338
358 2HB LYS 48 1HB LYS 48 8.212 -34.078 30.777
359 1HG LYS 48 2HG LYS 48 5.365 -33.505 29.963
360 2HG LYS 48 1HG LYS 48 6.614 -33.946 28.804
361 1HD LYS 48 2HD LYS 48 6.884 -35.880 30.746
362 2HD LYS 48 1HD LYS 48 5.145 -35.601 30.724
363 1HE LYS 48 2HE LYS 48 6.090 -37.408 29.157
364 2HE LYS 48 1HE LYS 48 4.951 -36.252 28.471
365 1HZ LYS 48 2HZ LYS 48 7.793 -35.581 28.352
366 2HZ LYS 48 1HZ LYS 48 7.245 -36.823 27.330
367 3HZ LYS 48 3HZ LYS 48 6.554 -35.276 27.229
368 H ALA 49 H ALA 49 6.665 -32.645 34.612
369 HA ALA 49 HA ALA 49 9.215 -31.374 34.920
370 1HB ALA 49 3HB ALA 49 6.784 -31.713 36.414
371 2HB ALA 49 2HB ALA 49 8.181 -32.055 37.442
372 3HB ALA 49 1HB ALA 49 8.051 -30.499 36.615
373 H SER 50 H SER 50 10.489 -32.161 37.002
374 HA SER 50 HA SER 50 10.899 -35.080 36.806
375 1HB SER 50 2HB SER 50 12.644 -33.215 35.802
376 2HB SER 50 1HB SER 50 13.293 -33.505 37.413
377 HG SER 50 HG SER 50 13.352 -35.731 36.909
No H/Q in entry = 377
Start of MODEL 11
1 1H ALA 1 2H ALA 1 14.966 -27.413 3.864
2 2H ALA 1 1H ALA 1 13.863 -26.281 3.239
3 3H ALA 1 3H ALA 1 13.549 -27.941 3.091
4 HA ALA 1 HA ALA 1 15.033 -28.252 1.420
5 1HB ALA 1 3HB ALA 1 13.240 -26.407 0.918
6 2HB ALA 1 2HB ALA 1 14.640 -25.332 0.879
7 3HB ALA 1 1HB ALA 1 14.546 -26.701 -0.232
8 H GLU 2 H GLU 2 15.821 -25.249 3.124
9 HA GLU 2 HA GLU 2 18.593 -25.900 3.306
10 1HB GLU 2 2HB GLU 2 19.362 -23.897 1.953
11 2HB GLU 2 1HB GLU 2 18.761 -25.261 1.011
12 1HG GLU 2 2HG GLU 2 16.567 -24.135 0.818
13 2HG GLU 2 1HG GLU 2 17.211 -22.756 1.711
14 H GLY 3 H GLY 3 18.673 -25.324 5.395
15 1HA GLY 3 2HA GLY 3 17.298 -23.569 6.859
16 2HA GLY 3 1HA GLY 3 18.994 -23.878 7.169
17 H ASP 4 H ASP 4 17.376 -21.452 7.452
18 HA ASP 4 HA ASP 4 19.197 -19.580 6.151
19 1HB ASP 4 2HB ASP 4 16.399 -20.027 5.418
20 2HB ASP 4 1HB ASP 4 16.786 -18.339 5.759
21 H ASP 5 H ASP 5 16.005 -19.233 7.573
22 HA ASP 5 HA ASP 5 16.764 -18.483 10.161
23 1HB ASP 5 2HB ASP 5 17.670 -16.543 8.864
24 2HB ASP 5 1HB ASP 5 16.026 -16.222 8.311
25 HA PRO 6 HA PRO 6 12.452 -19.612 10.277
26 1HB PRO 6 2HB PRO 6 11.955 -18.822 12.847
27 2HB PRO 6 1HB PRO 6 12.751 -20.344 12.407
28 1HG PRO 6 2HG PRO 6 13.981 -17.750 13.255
29 2HG PRO 6 1HG PRO 6 14.389 -19.405 13.760
30 1HD PRO 6 2HD PRO 6 15.868 -18.134 11.918
31 2HD PRO 6 1HD PRO 6 15.526 -19.871 11.765
32 H ALA 7 H ALA 7 13.721 -16.454 10.662
33 HA ALA 7 HA ALA 7 11.385 -14.933 11.061
34 1HB ALA 7 2HB ALA 7 13.932 -14.277 9.560
35 2HB ALA 7 1HB ALA 7 12.711 -13.098 10.054
36 3HB ALA 7 3HB ALA 7 13.626 -13.985 11.276
37 H LYS 8 H LYS 8 12.710 -16.583 8.312
38 HA LYS 8 HA LYS 8 11.478 -15.233 6.198
39 1HB LYS 8 2HB LYS 8 11.991 -17.133 4.883
40 2HB LYS 8 1HB LYS 8 13.262 -17.036 6.098
41 1HG LYS 8 2HG LYS 8 12.354 -18.852 7.336
42 2HG LYS 8 1HG LYS 8 10.825 -18.783 6.464
43 1HD LYS 8 2HD LYS 8 11.787 -19.659 4.487
44 2HD LYS 8 1HD LYS 8 13.425 -19.389 5.071
45 1HE LYS 8 2HE LYS 8 12.236 -21.794 5.128
46 2HE LYS 8 1HE LYS 8 13.445 -21.303 6.308
47 1HZ LYS 8 2HZ LYS 8 10.513 -21.006 6.674
48 2HZ LYS 8 1HZ LYS 8 11.437 -22.285 7.302
49 3HZ LYS 8 3HZ LYS 8 11.717 -20.698 7.831
50 H ALA 9 H ALA 9 10.200 -17.496 8.519
51 HA ALA 9 HA ALA 9 7.958 -18.517 7.308
52 1HB ALA 9 3HB ALA 9 8.546 -17.660 10.111
53 2HB ALA 9 2HB ALA 9 6.906 -18.157 9.688
54 3HB ALA 9 1HB ALA 9 8.252 -19.278 9.471
55 H ALA 10 H ALA 10 8.355 -15.305 8.745
56 HA ALA 10 HA ALA 10 5.692 -14.428 8.419
57 1HB ALA 10 3HB ALA 10 7.599 -13.375 9.790
58 2HB ALA 10 2HB ALA 10 8.079 -12.606 8.276
59 3HB ALA 10 1HB ALA 10 6.486 -12.285 8.962
60 H PHE 11 H PHE 11 8.432 -14.538 6.247
61 HA PHE 11 HA PHE 11 7.310 -12.835 4.237
62 1HB PHE 11 2HB PHE 11 9.748 -13.297 4.521
63 2HB PHE 11 1HB PHE 11 9.460 -14.933 3.944
64 HD1 PHE 11 HD1 PHE 11 7.296 -12.647 2.296
65 HD2 PHE 11 HD2 PHE 11 11.330 -14.087 2.282
66 HE1 PHE 11 HE1 PHE 11 7.574 -11.868 -0.022
67 HE2 PHE 11 HE2 PHE 11 11.591 -13.304 -0.034
68 HZ PHE 11 HZ PHE 11 9.720 -12.196 -1.186
69 H ASN 12 H ASN 12 7.515 -16.350 4.688
70 HA ASN 12 HA ASN 12 6.076 -16.913 2.246
71 1HB ASN 12 2HB ASN 12 7.865 -18.359 3.472
72 2HB ASN 12 1HB ASN 12 6.495 -18.908 4.438
73 1HD2 ASN 12 2HD2 ASN 12 7.084 -20.352 0.751
74 2HD2 ASN 12 1HD2 ASN 12 8.209 -19.343 1.587
75 H SER 13 H SER 13 5.035 -15.643 5.075
76 HA SER 13 HA SER 13 2.591 -17.239 5.284
77 1HB SER 13 2HB SER 13 4.052 -16.216 7.234
78 2HB SER 13 1HB SER 13 3.067 -14.797 6.921
79 HG SER 13 HG SER 13 2.258 -17.393 7.737
80 H LEU 14 H LEU 14 3.750 -14.085 4.307
81 HA LEU 14 HA LEU 14 1.422 -12.627 4.113
82 1HB LEU 14 2HB LEU 14 3.560 -11.627 3.625
83 2HB LEU 14 1HB LEU 14 3.780 -12.668 2.228
84 HG LEU 14 HG LEU 14 2.000 -11.604 1.068
85 1HD1 LEU 14 1HD1 LEU 14 0.518 -11.294 3.058
86 2HD1 LEU 14 3HD1 LEU 14 1.466 -9.862 3.467
87 3HD1 LEU 14 2HD1 LEU 14 0.557 -9.918 1.955
88 1HD2 LEU 14 2HD2 LEU 14 4.279 -10.414 1.305
89 2HD2 LEU 14 1HD2 LEU 14 2.922 -9.514 0.625
90 3HD2 LEU 14 3HD2 LEU 14 3.393 -9.259 2.305
91 H GLN 15 H GLN 15 2.430 -15.335 2.221
92 HA GLN 15 HA GLN 15 0.546 -14.927 0.074
93 1HB GLN 15 2HB GLN 15 2.281 -17.265 0.886
94 2HB GLN 15 1HB GLN 15 1.199 -17.307 -0.499
95 1HG GLN 15 2HG GLN 15 3.490 -16.768 -1.186
96 2HG GLN 15 1HG GLN 15 2.412 -15.411 -1.508
97 1HE2 GLN 15 2HD2 GLN 15 4.808 -13.402 0.099
98 2HE2 GLN 15 1HD2 GLN 15 3.983 -13.809 -1.368
99 H ALA 16 H ALA 16 0.670 -16.634 3.119
100 HA ALA 16 HA ALA 16 -1.667 -18.231 2.706
101 1HB ALA 16 2HB ALA 16 0.261 -17.727 4.855
102 2HB ALA 16 1HB ALA 16 -1.384 -18.011 5.430
103 3HB ALA 16 3HB ALA 16 -0.584 -19.215 4.418
104 H SER 17 H SER 17 -1.071 -14.972 3.712
105 HA SER 17 HA SER 17 -3.212 -14.305 5.292
106 1HB SER 17 2HB SER 17 -1.632 -12.853 3.242
107 2HB SER 17 1HB SER 17 -3.135 -12.109 3.776
108 HG SER 17 HG SER 17 -1.301 -11.514 5.078
109 H ALA 18 H ALA 18 -3.185 -14.757 1.787
110 HA ALA 18 HA ALA 18 -6.045 -14.160 1.618
111 1HB ALA 18 2HB ALA 18 -3.948 -13.714 -0.106
112 2HB ALA 18 1HB ALA 18 -4.721 -15.142 -0.800
113 3HB ALA 18 3HB ALA 18 -5.659 -13.669 -0.543
114 H THR 19 H THR 19 -3.835 -16.820 0.756
115 HA THR 19 HA THR 19 -5.733 -18.706 -0.002
116 HB THR 19 HB THR 19 -3.434 -19.738 1.516
117 HG1 THR 19 HG1 THR 19 -1.969 -18.981 -0.082
118 1HG2 THR 19 1HG2 THR 19 -4.948 -21.010 -0.089
119 2HG2 THR 19 3HG2 THR 19 -4.141 -20.126 -1.386
120 3HG2 THR 19 2HG2 THR 19 -3.210 -21.194 -0.333
121 H GLU 20 H GLU 20 -5.037 -17.485 3.144
122 HA GLU 20 HA GLU 20 -5.717 -19.591 4.808
123 1HB GLU 20 2HB GLU 20 -5.610 -16.660 4.986
124 2HB GLU 20 1HB GLU 20 -6.721 -17.417 6.108
125 1HG GLU 20 2HG GLU 20 -4.902 -18.892 6.900
126 2HG GLU 20 1HG GLU 20 -3.791 -18.084 5.794
127 H TYR 21 H TYR 21 -7.728 -17.790 2.662
128 HA TYR 21 HA TYR 21 -10.168 -18.670 4.038
129 1HB TYR 21 2HB TYR 21 -9.654 -16.690 1.828
130 2HB TYR 21 1HB TYR 21 -11.266 -17.193 2.308
131 HD1 TYR 21 HD2 TYR 21 -8.282 -15.308 3.265
132 HD2 TYR 21 HD1 TYR 21 -12.205 -16.510 4.441
133 HE1 TYR 21 HE2 TYR 21 -8.267 -13.611 5.054
134 HE2 TYR 21 HE1 TYR 21 -12.187 -14.811 6.228
135 HH TYR 21 HH TYR 21 -9.312 -12.967 6.992
136 H ILE 22 H ILE 22 -8.554 -18.809 0.875
137 HA ILE 22 HA ILE 22 -10.526 -20.496 -0.311
138 HB ILE 22 HB ILE 22 -7.719 -19.685 -1.062
139 1HG1 ILE 22 2HG1 ILE 22 -10.406 -18.846 -2.199
140 2HG1 ILE 22 1HG1 ILE 22 -9.408 -17.882 -1.087
141 1HG2 ILE 22 3HG2 ILE 22 -8.278 -21.883 -2.028
142 2HG2 ILE 22 2HG2 ILE 22 -9.676 -21.155 -2.819
143 3HG2 ILE 22 1HG2 ILE 22 -8.047 -20.626 -3.240
144 1HD1 ILE 22 2HD1 ILE 22 -8.355 -18.870 -3.755
145 2HD1 ILE 22 1HD1 ILE 22 -9.228 -17.344 -3.606
146 3HD1 ILE 22 3HD1 ILE 22 -7.708 -17.579 -2.737
147 H GLY 23 H GLY 23 -7.233 -21.006 0.945
148 1HA GLY 23 2HA GLY 23 -7.892 -23.854 1.318
149 2HA GLY 23 1HA GLY 23 -6.383 -23.390 0.533
150 H TYR 24 H TYR 24 -8.239 -22.935 3.519
151 HA TYR 24 HA TYR 24 -6.091 -21.913 5.051
152 1HB TYR 24 2HB TYR 24 -7.585 -22.871 6.993
153 2HB TYR 24 1HB TYR 24 -8.043 -21.428 6.108
154 HD1 TYR 24 HD1 TYR 24 -8.269 -25.001 5.157
155 HD2 TYR 24 HD2 TYR 24 -10.362 -21.414 6.082
156 HE1 TYR 24 HE1 TYR 24 -10.395 -26.092 4.548
157 HE2 TYR 24 HE2 TYR 24 -12.492 -22.495 5.476
158 HH TYR 24 HH TYR 24 -13.261 -24.385 4.060
159 H ALA 25 H ALA 25 -6.629 -25.024 3.850
160 HA ALA 25 HA ALA 25 -5.767 -26.735 5.854
161 1HB ALA 25 1HB ALA 25 -5.130 -26.852 2.890
162 2HB ALA 25 3HB ALA 25 -4.945 -28.194 4.021
163 3HB ALA 25 2HB ALA 25 -6.551 -27.547 3.675
164 H TRP 26 H TRP 26 -3.843 -24.787 3.600
165 HA TRP 26 HA TRP 26 -1.297 -25.679 4.382
166 1HB TRP 26 2HB TRP 26 -2.425 -23.439 2.864
167 2HB TRP 26 1HB TRP 26 -0.933 -23.046 3.705
168 HD1 TRP 26 1HD TRP 26 -2.006 -24.278 0.462
169 HE1 TRP 26 1HE TRP 26 -0.144 -25.581 -0.700
170 HE3 TRP 26 3HE TRP 26 1.150 -25.050 4.421
171 HZ2 TRP 26 2HZ TRP 26 2.314 -26.780 -0.080
172 HZ3 TRP 26 3HZ TRP 26 3.246 -26.289 4.064
173 HH2 TRP 26 HH2 TRP 26 3.827 -27.148 1.834
174 H ALA 27 H ALA 27 -3.316 -22.995 5.531
175 HA ALA 27 HA ALA 27 -1.519 -21.961 7.442
176 1HB ALA 27 1HB ALA 27 -4.122 -21.390 6.584
177 2HB ALA 27 3HB ALA 27 -4.283 -21.778 8.297
178 3HB ALA 27 2HB ALA 27 -3.185 -20.495 7.783
179 H MET 28 H MET 28 -4.082 -24.404 7.670
180 HA MET 28 HA MET 28 -3.946 -24.969 10.392
181 1HB MET 28 2HB MET 28 -5.349 -25.957 8.250
182 2HB MET 28 1HB MET 28 -4.265 -27.295 8.594
183 1HG MET 28 2HG MET 28 -6.462 -26.137 10.277
184 2HG MET 28 1HG MET 28 -6.123 -27.800 9.860
185 1HE MET 28 3HE MET 28 -7.076 -26.620 12.376
186 2HE MET 28 2HE MET 28 -6.462 -28.070 13.167
187 3HE MET 28 1HE MET 28 -5.959 -26.481 13.741
188 H VAL 29 H VAL 29 -2.041 -26.184 7.688
189 HA VAL 29 HA VAL 29 -0.490 -28.062 9.123
190 HB VAL 29 HB VAL 29 0.114 -26.488 6.619
191 1HG1 VAL 29 2HG1 VAL 29 1.903 -27.981 8.155
192 2HG1 VAL 29 1HG1 VAL 29 1.443 -29.043 6.821
193 3HG1 VAL 29 3HG1 VAL 29 2.118 -27.447 6.485
194 1HG2 VAL 29 2HG2 VAL 29 -1.648 -28.674 7.165
195 2HG2 VAL 29 1HG2 VAL 29 -1.359 -27.833 5.639
196 3HG2 VAL 29 3HG2 VAL 29 -0.360 -29.217 6.088
197 H VAL 30 H VAL 30 -0.006 -24.656 8.309
198 HA VAL 30 HA VAL 30 2.542 -24.376 9.524
199 HB VAL 30 HB VAL 30 0.388 -22.355 8.950
200 1HG1 VAL 30 1HG1 VAL 30 3.288 -21.937 9.664
201 2HG1 VAL 30 3HG1 VAL 30 2.194 -20.677 9.089
202 3HG1 VAL 30 2HG1 VAL 30 1.887 -21.474 10.633
203 1HG2 VAL 30 3HG2 VAL 30 1.956 -23.820 7.195
204 2HG2 VAL 30 2HG2 VAL 30 1.075 -22.336 6.826
205 3HG2 VAL 30 1HG2 VAL 30 2.772 -22.260 7.306
206 H VAL 31 H VAL 31 -0.766 -23.939 10.634
207 HA VAL 31 HA VAL 31 -0.247 -22.845 13.166
208 HB VAL 31 HB VAL 31 -2.480 -23.983 11.713
209 1HG1 VAL 31 1HG1 VAL 31 -2.411 -24.530 14.679
210 2HG1 VAL 31 3HG1 VAL 31 -3.866 -24.583 13.680
211 3HG1 VAL 31 2HG1 VAL 31 -2.547 -25.720 13.383
212 1HG2 VAL 31 1HG2 VAL 31 -2.078 -21.900 13.838
213 2HG2 VAL 31 3HG2 VAL 31 -2.503 -21.686 12.138
214 3HG2 VAL 31 2HG2 VAL 31 -3.691 -22.336 13.270
215 H ILE 32 H ILE 32 -0.849 -26.225 12.237
216 HA ILE 32 HA ILE 32 -0.371 -27.419 14.703
217 HB ILE 32 HB ILE 32 -0.094 -28.340 11.867
218 1HG1 ILE 32 2HG1 ILE 32 -2.019 -28.995 14.093
219 2HG1 ILE 32 1HG1 ILE 32 -2.339 -27.987 12.685
220 1HG2 ILE 32 1HG2 ILE 32 0.395 -30.009 14.340
221 2HG2 ILE 32 3HG2 ILE 32 0.127 -30.669 12.725
222 3HG2 ILE 32 2HG2 ILE 32 1.546 -29.669 13.044
223 1HD1 ILE 32 1HD1 ILE 32 -1.684 -30.096 11.318
224 2HD1 ILE 32 3HD1 ILE 32 -1.977 -30.963 12.827
225 3HD1 ILE 32 2HD1 ILE 32 -3.277 -30.035 12.076
226 H VAL 33 H VAL 33 1.894 -26.497 12.138
227 HA VAL 33 HA VAL 33 4.188 -27.667 13.226
228 HB VAL 33 HB VAL 33 3.847 -25.254 11.457
229 1HG1 VAL 33 3HG1 VAL 33 6.309 -26.842 12.157
230 2HG1 VAL 33 2HG1 VAL 33 6.211 -25.732 10.789
231 3HG1 VAL 33 1HG1 VAL 33 6.020 -25.124 12.436
232 1HG2 VAL 33 2HG2 VAL 33 3.218 -27.850 10.907
233 2HG2 VAL 33 1HG2 VAL 33 3.681 -26.649 9.699
234 3HG2 VAL 33 3HG2 VAL 33 4.889 -27.762 10.344
235 H GLY 34 H GLY 34 2.859 -24.385 13.518
236 1HA GLY 34 2HA GLY 34 4.902 -23.448 15.291
237 2HA GLY 34 1HA GLY 34 3.381 -22.636 14.925
238 H ALA 35 H ALA 35 1.732 -24.906 15.699
239 HA ALA 35 HA ALA 35 1.580 -24.356 18.526
240 1HB ALA 35 3HB ALA 35 -0.322 -24.831 16.742
241 2HB ALA 35 2HB ALA 35 -0.051 -26.500 17.250
242 3HB ALA 35 1HB ALA 35 -0.521 -25.282 18.438
243 H THR 36 H THR 36 2.094 -27.268 16.555
244 HA THR 36 HA THR 36 2.425 -29.161 18.529
245 HB THR 36 HB THR 36 3.859 -28.870 15.892
246 HG1 THR 36 HG1 THR 36 1.766 -30.652 16.514
247 1HG2 THR 36 2HG2 THR 36 5.124 -30.378 17.346
248 2HG2 THR 36 1HG2 THR 36 3.657 -31.303 17.673
249 3HG2 THR 36 3HG2 THR 36 4.333 -31.269 16.044
250 H ILE 37 H ILE 37 4.968 -27.100 17.112
251 HA ILE 37 HA ILE 37 7.053 -28.038 18.760
252 HB ILE 37 HB ILE 37 6.700 -25.503 17.223
253 1HG1 ILE 37 2HG1 ILE 37 6.728 -27.873 16.171
254 2HG1 ILE 37 1HG1 ILE 37 7.685 -26.592 15.470
255 1HG2 ILE 37 3HG2 ILE 37 8.838 -26.323 19.041
256 2HG2 ILE 37 2HG2 ILE 37 9.398 -25.881 17.427
257 3HG2 ILE 37 1HG2 ILE 37 8.458 -24.731 18.381
258 1HD1 ILE 37 2HD1 ILE 37 9.077 -28.081 17.550
259 2HD1 ILE 37 1HD1 ILE 37 8.621 -29.066 16.159
260 3HD1 ILE 37 3HD1 ILE 37 9.625 -27.632 15.935
261 H GLY 38 H GLY 38 5.288 -24.939 18.888
262 1HA GLY 38 2HA GLY 38 6.364 -23.953 21.255
263 2HA GLY 38 1HA GLY 38 4.763 -23.542 20.636
264 H ILE 39 H ILE 39 3.233 -25.662 20.905
265 HA ILE 39 HA ILE 39 2.503 -25.820 23.552
266 HB ILE 39 HB ILE 39 2.175 -27.894 21.384
267 1HG1 ILE 39 2HG1 ILE 39 0.205 -25.852 22.414
268 2HG1 ILE 39 1HG1 ILE 39 1.226 -25.600 21.002
269 1HG2 ILE 39 3HG2 ILE 39 0.815 -27.658 24.078
270 2HG2 ILE 39 2HG2 ILE 39 0.242 -28.693 22.769
271 3HG2 ILE 39 1HG2 ILE 39 1.818 -28.994 23.507
272 1HD1 ILE 39 3HD1 ILE 39 -0.226 -28.147 20.959
273 2HD1 ILE 39 2HD1 ILE 39 -1.278 -26.730 20.960
274 3HD1 ILE 39 1HD1 ILE 39 -0.056 -26.922 19.700
275 H LYS 40 H LYS 40 4.990 -27.592 21.884
276 HA LYS 40 HA LYS 40 5.408 -29.545 23.959
277 1HB LYS 40 2HB LYS 40 6.458 -28.956 21.310
278 2HB LYS 40 1HB LYS 40 7.726 -29.418 22.442
279 1HG LYS 40 2HG LYS 40 6.220 -31.391 23.070
280 2HG LYS 40 1HG LYS 40 5.277 -30.985 21.638
281 1HD LYS 40 2HD LYS 40 6.760 -31.996 20.305
282 2HD LYS 40 1HD LYS 40 8.084 -31.055 20.988
283 1HE LYS 40 2HE LYS 40 8.092 -32.675 22.927
284 2HE LYS 40 1HE LYS 40 6.965 -33.667 22.008
285 1HZ LYS 40 1HZ LYS 40 8.732 -33.499 20.174
286 2HZ LYS 40 3HZ LYS 40 9.783 -33.040 21.423
287 3HZ LYS 40 2HZ LYS 40 9.011 -34.552 21.477
288 H LEU 41 H LEU 41 7.592 -27.074 22.647
289 HA LEU 41 HA LEU 41 9.390 -26.992 24.760
290 1HB LEU 41 2HB LEU 41 9.935 -24.683 23.918
291 2HB LEU 41 1HB LEU 41 9.954 -25.927 22.665
292 HG LEU 41 HG LEU 41 7.390 -25.130 22.493
293 1HD1 LEU 41 2HD1 LEU 41 8.116 -23.351 24.311
294 2HD1 LEU 41 1HD1 LEU 41 8.697 -22.485 22.886
295 3HD1 LEU 41 3HD1 LEU 41 6.995 -22.933 23.013
296 1HD2 LEU 41 1HD2 LEU 41 9.686 -24.929 20.956
297 2HD2 LEU 41 3HD2 LEU 41 8.037 -24.587 20.428
298 3HD2 LEU 41 2HD2 LEU 41 9.064 -23.279 21.018
299 H PHE 42 H PHE 42 6.453 -25.149 24.278
300 HA PHE 42 HA PHE 42 6.735 -23.500 26.585
301 1HB PHE 42 2HB PHE 42 5.179 -23.386 24.400
302 2HB PHE 42 1HB PHE 42 4.031 -24.069 25.539
303 HD1 PHE 42 HD1 PHE 42 6.433 -21.261 25.100
304 HD2 PHE 42 HD2 PHE 42 2.910 -22.677 27.061
305 HE1 PHE 42 HE1 PHE 42 6.052 -19.016 26.043
306 HE2 PHE 42 HE2 PHE 42 2.532 -20.432 28.000
307 HZ PHE 42 HZ PHE 42 4.102 -18.603 27.491
308 H LYS 43 H LYS 43 5.626 -26.734 26.099
309 HA LYS 43 HA LYS 43 3.952 -26.893 28.405
310 1HB LYS 43 2HB LYS 43 3.378 -28.630 27.062
311 2HB LYS 43 1HB LYS 43 4.969 -28.716 26.329
312 1HG LYS 43 2HG LYS 43 5.766 -30.151 27.885
313 2HG LYS 43 1HG LYS 43 4.670 -29.611 29.148
314 1HD LYS 43 2HD LYS 43 3.889 -31.760 28.552
315 2HD LYS 43 1HD LYS 43 2.797 -30.625 27.762
316 1HE LYS 43 2HE LYS 43 3.500 -32.506 26.282
317 2HE LYS 43 1HE LYS 43 3.931 -30.922 25.645
318 1HZ LYS 43 2HZ LYS 43 5.912 -32.252 27.314
319 2HZ LYS 43 1HZ LYS 43 5.633 -32.928 25.780
320 3HZ LYS 43 3HZ LYS 43 6.121 -31.310 25.915
321 H LYS 44 H LYS 44 7.358 -27.363 27.735
322 HA LYS 44 HA LYS 44 7.834 -28.081 30.545
323 1HB LYS 44 2HB LYS 44 9.246 -28.589 28.004
324 2HB LYS 44 1HB LYS 44 10.273 -28.236 29.390
325 1HG LYS 44 2HG LYS 44 8.674 -29.973 30.605
326 2HG LYS 44 1HG LYS 44 8.414 -30.544 28.956
327 1HD LYS 44 2HD LYS 44 10.231 -31.841 29.557
328 2HD LYS 44 1HD LYS 44 11.052 -30.470 28.799
329 1HE LYS 44 2HE LYS 44 10.745 -31.114 31.746
330 2HE LYS 44 1HE LYS 44 12.229 -30.855 30.837
331 1HZ LYS 44 3HZ LYS 44 10.199 -28.751 31.353
332 2HZ LYS 44 2HZ LYS 44 11.602 -28.980 32.281
333 3HZ LYS 44 1HZ LYS 44 11.724 -28.542 30.645
334 H PHE 45 H PHE 45 10.089 -26.434 28.425
335 HA PHE 45 HA PHE 45 11.451 -24.619 28.888
336 1HB PHE 45 2HB PHE 45 9.649 -23.646 27.622
337 2HB PHE 45 1HB PHE 45 8.654 -23.498 29.064
338 HD1 PHE 45 HD2 PHE 45 12.229 -22.653 28.385
339 HD2 PHE 45 HD1 PHE 45 8.360 -21.250 29.521
340 HE1 PHE 45 HE2 PHE 45 13.162 -20.407 28.787
341 HE2 PHE 45 HE1 PHE 45 9.294 -19.004 29.923
342 HZ PHE 45 HZ PHE 45 11.694 -18.582 29.557
343 H THR 46 H THR 46 11.743 -25.921 31.094
344 HA THR 46 HA THR 46 11.509 -23.906 33.199
345 HB THR 46 HB THR 46 11.073 -25.984 34.742
346 HG1 THR 46 HG1 THR 46 10.644 -27.716 33.650
347 1HG2 THR 46 1HG2 THR 46 8.955 -24.644 33.058
348 2HG2 THR 46 3HG2 THR 46 8.628 -25.584 34.515
349 3HG2 THR 46 2HG2 THR 46 9.573 -24.096 34.618
350 H SER 47 H SER 47 13.788 -24.015 32.037
351 HA SER 47 HA SER 47 15.663 -25.986 32.534
352 1HB SER 47 2HB SER 47 17.341 -24.166 32.415
353 2HB SER 47 1HB SER 47 16.139 -24.062 31.136
354 HG SER 47 HG SER 47 15.021 -22.552 32.631
355 H LYS 48 H LYS 48 17.593 -25.623 34.094
356 HA LYS 48 HA LYS 48 18.363 -25.852 36.230
357 1HB LYS 48 2HB LYS 48 16.542 -23.474 36.478
358 2HB LYS 48 1HB LYS 48 17.638 -23.973 37.759
359 1HG LYS 48 2HG LYS 48 18.897 -22.346 36.694
360 2HG LYS 48 1HG LYS 48 19.449 -23.769 35.825
361 1HD LYS 48 2HD LYS 48 18.901 -22.627 33.975
362 2HD LYS 48 1HD LYS 48 17.240 -23.051 34.378
363 1HE LYS 48 2HE LYS 48 17.698 -20.591 33.900
364 2HE LYS 48 1HE LYS 48 16.840 -20.948 35.395
365 1HZ LYS 48 1HZ LYS 48 19.754 -20.802 35.510
366 2HZ LYS 48 3HZ LYS 48 18.912 -19.344 35.312
367 3HZ LYS 48 2HZ LYS 48 18.595 -20.329 36.659
368 H ALA 49 H ALA 49 15.217 -24.627 37.267
369 HA ALA 49 HA ALA 49 14.771 -26.394 39.307
370 1HB ALA 49 2HB ALA 49 13.324 -24.412 37.947
371 2HB ALA 49 1HB ALA 49 12.283 -25.839 37.975
372 3HB ALA 49 3HB ALA 49 12.912 -25.174 39.486
373 H SER 50 H SER 50 13.396 -28.245 39.531
374 HA SER 50 HA SER 50 13.138 -29.870 37.074
375 1HB SER 50 2HB SER 50 14.907 -30.396 39.083
376 2HB SER 50 1HB SER 50 13.507 -31.327 39.601
377 HG SER 50 HG SER 50 15.240 -31.780 37.536
No H/Q in entry = 377
Start of MODEL 12
1 1H ALA 1 1H ALA 1 -17.978 -27.507 44.670
2 2H ALA 1 3H ALA 1 -17.175 -26.797 43.356
3 3H ALA 1 2H ALA 1 -17.075 -26.087 44.897
4 HA ALA 1 HA ALA 1 -19.288 -25.394 44.869
5 1HB ALA 1 1HB ALA 1 -17.504 -24.402 43.096
6 2HB ALA 1 3HB ALA 1 -18.794 -24.897 41.998
7 3HB ALA 1 2HB ALA 1 -19.133 -23.758 43.303
8 H GLU 2 H GLU 2 -21.365 -25.278 43.686
9 HA GLU 2 HA GLU 2 -22.530 -27.756 43.302
10 1HB GLU 2 2HB GLU 2 -24.403 -26.584 42.311
11 2HB GLU 2 1HB GLU 2 -23.769 -25.646 43.660
12 1HG GLU 2 2HG GLU 2 -22.350 -24.447 41.827
13 2HG GLU 2 1HG GLU 2 -23.548 -25.109 40.714
14 H GLY 3 H GLY 3 -23.360 -28.772 41.364
15 1HA GLY 3 2HA GLY 3 -22.857 -29.919 39.437
16 2HA GLY 3 1HA GLY 3 -22.972 -28.297 38.775
17 H ASP 4 H ASP 4 -21.415 -29.143 37.181
18 HA ASP 4 HA ASP 4 -18.645 -29.264 38.203
19 1HB ASP 4 2HB ASP 4 -20.084 -30.696 36.109
20 2HB ASP 4 1HB ASP 4 -18.568 -29.995 35.534
21 H ASP 5 H ASP 5 -19.847 -28.529 34.980
22 HA ASP 5 HA ASP 5 -19.523 -25.772 34.948
23 1HB ASP 5 2HB ASP 5 -17.190 -26.194 35.453
24 2HB ASP 5 1HB ASP 5 -17.099 -27.374 34.147
25 HA PRO 6 HA PRO 6 -21.629 -26.982 31.191
26 1HB PRO 6 2HB PRO 6 -21.789 -24.487 30.090
27 2HB PRO 6 1HB PRO 6 -22.891 -25.093 31.340
28 1HG PRO 6 2HG PRO 6 -20.466 -23.362 31.638
29 2HG PRO 6 1HG PRO 6 -22.061 -23.199 32.403
30 1HD PRO 6 2HD PRO 6 -20.007 -24.260 33.755
31 2HD PRO 6 1HD PRO 6 -21.647 -24.919 33.935
32 H ALA 7 H ALA 7 -18.557 -25.487 31.488
33 HA ALA 7 HA ALA 7 -17.706 -25.216 28.842
34 1HB ALA 7 3HB ALA 7 -16.232 -25.997 31.364
35 2HB ALA 7 2HB ALA 7 -15.423 -25.646 29.833
36 3HB ALA 7 1HB ALA 7 -16.352 -24.386 30.651
37 H LYS 8 H LYS 8 -18.123 -27.980 30.911
38 HA LYS 8 HA LYS 8 -16.635 -29.979 29.820
39 1HB LYS 8 2HB LYS 8 -18.294 -31.513 30.630
40 2HB LYS 8 1HB LYS 8 -18.218 -30.149 31.746
41 1HG LYS 8 2HG LYS 8 -20.467 -30.147 31.520
42 2HG LYS 8 1HG LYS 8 -20.129 -29.282 30.021
43 1HD LYS 8 2HD LYS 8 -20.217 -31.355 28.757
44 2HD LYS 8 1HD LYS 8 -20.418 -32.285 30.236
45 1HE LYS 8 2HE LYS 8 -22.490 -31.605 28.710
46 2HE LYS 8 1HE LYS 8 -22.626 -31.714 30.462
47 1HZ LYS 8 3HZ LYS 8 -21.921 -29.183 29.105
48 2HZ LYS 8 2HZ LYS 8 -23.537 -29.649 29.345
49 3HZ LYS 8 1HZ LYS 8 -22.512 -29.407 30.678
50 H ALA 9 H ALA 9 -19.419 -28.418 28.407
51 HA ALA 9 HA ALA 9 -19.715 -30.372 26.286
52 1HB ALA 9 1HB ALA 9 -21.088 -27.850 27.091
53 2HB ALA 9 3HB ALA 9 -21.234 -28.383 25.416
54 3HB ALA 9 2HB ALA 9 -21.768 -29.438 26.726
55 H ALA 10 H ALA 10 -18.849 -26.916 26.425
56 HA ALA 10 HA ALA 10 -18.127 -26.537 23.782
57 1HB ALA 10 1HB ALA 10 -18.020 -25.040 26.104
58 2HB ALA 10 3HB ALA 10 -16.325 -25.179 25.631
59 3HB ALA 10 2HB ALA 10 -17.504 -24.504 24.503
60 H PHE 11 H PHE 11 -16.404 -28.197 26.319
61 HA PHE 11 HA PHE 11 -13.821 -28.187 25.190
62 1HB PHE 11 2HB PHE 11 -14.403 -28.882 27.524
63 2HB PHE 11 1HB PHE 11 -15.059 -30.373 26.863
64 HD1 PHE 11 HD2 PHE 11 -12.265 -29.320 24.941
65 HD2 PHE 11 HD1 PHE 11 -13.292 -31.263 28.619
66 HE1 PHE 11 HE2 PHE 11 -10.027 -30.337 25.039
67 HE2 PHE 11 HE1 PHE 11 -11.052 -32.272 28.699
68 HZ PHE 11 HZ PHE 11 -9.419 -31.810 26.915
69 H ASN 12 H ASN 12 -16.530 -30.460 24.852
70 HA ASN 12 HA ASN 12 -15.110 -32.142 22.991
71 1HB ASN 12 2HB ASN 12 -17.082 -32.716 24.624
72 2HB ASN 12 1HB ASN 12 -18.085 -32.177 23.275
73 1HD2 ASN 12 2HD2 ASN 12 -17.693 -35.743 22.712
74 2HD2 ASN 12 1HD2 ASN 12 -18.525 -34.656 23.768
75 H SER 13 H SER 13 -16.543 -29.124 22.683
76 HA SER 13 HA SER 13 -17.635 -29.499 20.025
77 1HB SER 13 2HB SER 13 -17.099 -26.844 21.311
78 2HB SER 13 1HB SER 13 -18.365 -27.286 20.173
79 HG SER 13 HG SER 13 -19.080 -28.744 21.983
80 H LEU 14 H LEU 14 -14.669 -28.488 21.519
81 HA LEU 14 HA LEU 14 -13.481 -26.986 19.502
82 1HB LEU 14 2HB LEU 14 -12.486 -27.221 21.701
83 2HB LEU 14 1HB LEU 14 -12.217 -28.938 21.427
84 HG LEU 14 HG LEU 14 -10.759 -28.353 19.524
85 1HD1 LEU 14 3HD1 LEU 14 -11.801 -26.093 19.136
86 2HD1 LEU 14 2HD1 LEU 14 -10.858 -25.512 20.512
87 3HD1 LEU 14 1HD1 LEU 14 -10.038 -26.136 19.080
88 1HD2 LEU 14 2HD2 LEU 14 -9.959 -27.187 22.188
89 2HD2 LEU 14 1HD2 LEU 14 -9.702 -28.842 21.631
90 3HD2 LEU 14 3HD2 LEU 14 -8.845 -27.509 20.860
91 H GLN 15 H GLN 15 -14.178 -30.355 19.632
92 HA GLN 15 HA GLN 15 -12.308 -31.152 17.589
93 1HB GLN 15 2HB GLN 15 -13.283 -32.628 19.432
94 2HB GLN 15 1HB GLN 15 -14.753 -32.673 18.464
95 1HG GLN 15 2HG GLN 15 -13.033 -33.330 16.546
96 2HG GLN 15 1HG GLN 15 -12.090 -33.886 17.929
97 1HE2 GLN 15 2HD2 GLN 15 -14.555 -36.319 18.924
98 2HE2 GLN 15 1HD2 GLN 15 -13.504 -35.118 19.586
99 H ALA 16 H ALA 16 -15.554 -29.932 17.719
100 HA ALA 16 HA ALA 16 -16.390 -30.798 15.130
101 1HB ALA 16 3HB ALA 16 -17.370 -28.741 17.087
102 2HB ALA 16 2HB ALA 16 -18.067 -28.854 15.468
103 3HB ALA 16 1HB ALA 16 -18.149 -30.236 16.563
104 H SER 17 H SER 17 -14.467 -28.171 16.317
105 HA SER 17 HA SER 17 -14.748 -26.391 14.127
106 1HB SER 17 2HB SER 17 -13.139 -26.591 16.523
107 2HB SER 17 1HB SER 17 -12.176 -26.038 15.158
108 HG SER 17 HG SER 17 -14.380 -24.840 16.418
109 H ALA 18 H ALA 18 -12.924 -29.294 14.618
110 HA ALA 18 HA ALA 18 -10.828 -29.039 12.824
111 1HB ALA 18 1HB ALA 18 -12.006 -31.110 14.300
112 2HB ALA 18 3HB ALA 18 -12.015 -31.662 12.623
113 3HB ALA 18 2HB ALA 18 -10.498 -31.177 13.384
114 H THR 19 H THR 19 -14.220 -29.774 12.201
115 HA THR 19 HA THR 19 -14.113 -30.612 9.568
116 HB THR 19 HB THR 19 -16.241 -28.696 10.359
117 HG1 THR 19 HG1 THR 19 -16.716 -29.779 12.083
118 1HG2 THR 19 1HG2 THR 19 -16.025 -30.282 8.239
119 2HG2 THR 19 3HG2 THR 19 -16.732 -31.450 9.358
120 3HG2 THR 19 2HG2 THR 19 -17.583 -29.945 8.998
121 H GLU 20 H GLU 20 -14.083 -27.306 10.831
122 HA GLU 20 HA GLU 20 -14.077 -26.065 8.255
123 1HB GLU 20 2HB GLU 20 -13.917 -25.230 11.074
124 2HB GLU 20 1HB GLU 20 -13.111 -24.188 9.927
125 1HG GLU 20 2HG GLU 20 -15.930 -25.115 9.575
126 2HG GLU 20 1HG GLU 20 -15.518 -23.605 10.375
127 H TYR 21 H TYR 21 -11.702 -27.833 9.789
128 HA TYR 21 HA TYR 21 -9.487 -26.179 8.818
129 1HB TYR 21 2HB TYR 21 -9.726 -28.470 10.724
130 2HB TYR 21 1HB TYR 21 -8.176 -28.120 9.973
131 HD1 TYR 21 HD2 TYR 21 -10.591 -25.467 10.770
132 HD2 TYR 21 HD1 TYR 21 -7.103 -27.562 12.065
133 HE1 TYR 21 HE2 TYR 21 -10.173 -23.728 12.465
134 HE2 TYR 21 HE1 TYR 21 -6.690 -25.819 13.758
135 HH TYR 21 HH TYR 21 -8.971 -23.555 14.671
136 H ILE 22 H ILE 22 -11.204 -29.137 8.147
137 HA ILE 22 HA ILE 22 -9.306 -30.488 6.614
138 HB ILE 22 HB ILE 22 -12.321 -30.391 6.552
139 1HG1 ILE 22 2HG1 ILE 22 -10.354 -32.437 7.642
140 2HG1 ILE 22 1HG1 ILE 22 -11.413 -31.368 8.589
141 1HG2 ILE 22 1HG2 ILE 22 -11.502 -31.045 4.340
142 2HG2 ILE 22 3HG2 ILE 22 -10.582 -32.357 5.076
143 3HG2 ILE 22 2HG2 ILE 22 -12.344 -32.358 5.162
144 1HD1 ILE 22 1HD1 ILE 22 -13.379 -32.525 7.430
145 2HD1 ILE 22 3HD1 ILE 22 -12.215 -33.685 6.790
146 3HD1 ILE 22 2HD1 ILE 22 -12.453 -33.546 8.534
147 H GLY 23 H GLY 23 -11.028 -27.584 5.976
148 1HA GLY 23 2HA GLY 23 -10.847 -27.742 3.092
149 2HA GLY 23 1HA GLY 23 -11.373 -26.349 4.038
150 H TYR 24 H TYR 24 -9.449 -25.532 5.508
151 HA TYR 24 HA TYR 24 -7.170 -25.057 3.692
152 1HB TYR 24 2HB TYR 24 -6.978 -23.234 5.785
153 2HB TYR 24 1HB TYR 24 -7.549 -22.910 4.158
154 HD1 TYR 24 HD2 TYR 24 -9.995 -22.988 3.680
155 HD2 TYR 24 HD1 TYR 24 -8.442 -23.199 7.648
156 HE1 TYR 24 HE2 TYR 24 -12.209 -22.393 4.579
157 HE2 TYR 24 HE1 TYR 24 -10.658 -22.602 8.544
158 HH TYR 24 HH TYR 24 -12.842 -21.180 7.258
159 H ALA 25 H ALA 25 -7.309 -27.448 5.169
160 HA ALA 25 HA ALA 25 -6.004 -27.456 7.635
161 1HB ALA 25 2HB ALA 25 -5.896 -29.512 5.411
162 2HB ALA 25 1HB ALA 25 -5.367 -29.793 7.071
163 3HB ALA 25 3HB ALA 25 -7.068 -29.461 6.731
164 H TRP 26 H TRP 26 -4.566 -27.843 4.382
165 HA TRP 26 HA TRP 26 -1.927 -28.088 5.077
166 1HB TRP 26 2HB TRP 26 -3.143 -26.659 2.717
167 2HB TRP 26 1HB TRP 26 -1.472 -27.182 2.842
168 HD1 TRP 26 1HD TRP 26 -4.529 -28.304 1.286
169 HE1 TRP 26 1HE TRP 26 -4.534 -30.833 0.931
170 HE3 TRP 26 3HE TRP 26 -0.648 -29.652 4.349
171 HZ2 TRP 26 2HZ TRP 26 -3.130 -33.101 1.794
172 HZ3 TRP 26 3HZ TRP 26 -0.036 -32.024 4.541
173 HH2 TRP 26 HH2 TRP 26 -1.263 -33.739 3.272
174 H ALA 27 H ALA 27 -3.898 -25.181 4.931
175 HA ALA 27 HA ALA 27 -1.627 -23.417 5.363
176 1HB ALA 27 2HB ALA 27 -4.414 -23.135 4.608
177 2HB ALA 27 1HB ALA 27 -3.971 -21.993 5.880
178 3HB ALA 27 3HB ALA 27 -3.066 -22.020 4.366
179 H MET 28 H MET 28 -4.405 -24.641 7.200
180 HA MET 28 HA MET 28 -3.913 -23.243 9.592
181 1HB MET 28 2HB MET 28 -5.761 -25.164 8.655
182 2HB MET 28 1HB MET 28 -4.975 -25.902 10.033
183 1HG MET 28 2HG MET 28 -6.656 -23.410 9.923
184 2HG MET 28 1HG MET 28 -6.838 -24.829 10.930
185 1HE MET 28 1HE MET 28 -6.366 -21.444 10.914
186 2HE MET 28 3HE MET 28 -6.990 -21.880 12.512
187 3HE MET 28 2HE MET 28 -5.460 -21.015 12.365
188 H VAL 29 H VAL 29 -2.806 -26.349 8.352
189 HA VAL 29 HA VAL 29 -1.405 -27.256 10.613
190 HB VAL 29 HB VAL 29 -0.813 -27.678 7.682
191 1HG1 VAL 29 2HG1 VAL 29 1.042 -28.214 9.339
192 2HG1 VAL 29 1HG1 VAL 29 -0.020 -29.482 9.957
193 3HG1 VAL 29 3HG1 VAL 29 0.525 -29.529 8.278
194 1HG2 VAL 29 3HG2 VAL 29 -3.035 -28.462 9.172
195 2HG2 VAL 29 2HG2 VAL 29 -2.530 -29.099 7.605
196 3HG2 VAL 29 1HG2 VAL 29 -2.014 -29.900 9.091
197 H VAL 30 H VAL 30 -0.357 -25.357 7.811
198 HA VAL 30 HA VAL 30 2.314 -24.966 8.476
199 HB VAL 30 HB VAL 30 0.338 -23.216 7.033
200 1HG1 VAL 30 1HG1 VAL 30 3.120 -22.661 7.791
201 2HG1 VAL 30 3HG1 VAL 30 2.763 -22.433 6.077
202 3HG1 VAL 30 2HG1 VAL 30 1.833 -21.558 7.296
203 1HG2 VAL 30 3HG2 VAL 30 1.340 -25.598 6.276
204 2HG2 VAL 30 2HG2 VAL 30 0.895 -24.320 5.143
205 3HG2 VAL 30 1HG2 VAL 30 2.580 -24.521 5.629
206 H VAL 31 H VAL 31 -0.574 -23.279 9.526
207 HA VAL 31 HA VAL 31 0.754 -21.233 10.996
208 HB VAL 31 HB VAL 31 -1.976 -22.174 10.520
209 1HG1 VAL 31 1HG1 VAL 31 -1.944 -22.489 12.958
210 2HG1 VAL 31 3HG1 VAL 31 -1.435 -20.811 13.158
211 3HG1 VAL 31 2HG1 VAL 31 -3.020 -21.175 12.470
212 1HG2 VAL 31 3HG2 VAL 31 -0.603 -20.014 9.818
213 2HG2 VAL 31 2HG2 VAL 31 -2.358 -19.986 10.005
214 3HG2 VAL 31 1HG2 VAL 31 -1.322 -19.383 11.301
215 H ILE 32 H ILE 32 -0.849 -24.250 11.943
216 HA ILE 32 HA ILE 32 -0.203 -24.133 14.678
217 HB ILE 32 HB ILE 32 -1.028 -26.315 12.804
218 1HG1 ILE 32 2HG1 ILE 32 -2.392 -24.902 15.090
219 2HG1 ILE 32 1HG1 ILE 32 -2.707 -24.679 13.374
220 1HG2 ILE 32 1HG2 ILE 32 -0.170 -26.572 15.660
221 2HG2 ILE 32 3HG2 ILE 32 -1.481 -27.587 15.059
222 3HG2 ILE 32 2HG2 ILE 32 0.112 -27.665 14.305
223 1HD1 ILE 32 2HD1 ILE 32 -3.081 -27.343 13.558
224 2HD1 ILE 32 1HD1 ILE 32 -3.563 -26.856 15.185
225 3HD1 ILE 32 3HD1 ILE 32 -4.377 -26.166 13.779
226 H VAL 33 H VAL 33 1.624 -25.314 11.890
227 HA VAL 33 HA VAL 33 3.442 -26.996 13.060
228 HB VAL 33 HB VAL 33 3.810 -24.944 10.893
229 1HG1 VAL 33 1HG1 VAL 33 5.772 -26.690 12.180
230 2HG1 VAL 33 3HG1 VAL 33 5.695 -26.874 10.427
231 3HG1 VAL 33 2HG1 VAL 33 6.013 -25.289 11.134
232 1HG2 VAL 33 2HG2 VAL 33 2.437 -27.383 11.010
233 2HG2 VAL 33 1HG2 VAL 33 2.816 -26.436 9.574
234 3HG2 VAL 33 3HG2 VAL 33 3.915 -27.708 10.101
235 H GLY 34 H GLY 34 3.257 -23.511 13.261
236 1HA GLY 34 2HA GLY 34 5.831 -23.209 14.553
237 2HA GLY 34 1HA GLY 34 4.621 -21.947 14.310
238 H ALA 35 H ALA 35 2.548 -23.776 15.518
239 HA ALA 35 HA ALA 35 3.034 -23.009 18.293
240 1HB ALA 35 1HB ALA 35 0.673 -23.698 16.642
241 2HB ALA 35 3HB ALA 35 0.591 -24.135 18.350
242 3HB ALA 35 2HB ALA 35 0.865 -22.456 17.882
243 H THR 36 H THR 36 2.505 -25.909 16.350
244 HA THR 36 HA THR 36 2.217 -27.856 18.274
245 HB THR 36 HB THR 36 3.875 -28.068 15.763
246 HG1 THR 36 HG1 THR 36 1.098 -28.175 16.249
247 1HG2 THR 36 1HG2 THR 36 4.017 -29.946 17.468
248 2HG2 THR 36 3HG2 THR 36 2.309 -30.241 17.141
249 3HG2 THR 36 2HG2 THR 36 3.497 -30.404 15.845
250 H ILE 37 H ILE 37 5.243 -26.474 17.039
251 HA ILE 37 HA ILE 37 7.003 -28.047 18.556
252 HB ILE 37 HB ILE 37 7.274 -25.320 17.366
253 1HG1 ILE 37 2HG1 ILE 37 6.825 -27.510 16.028
254 2HG1 ILE 37 1HG1 ILE 37 8.025 -26.363 15.484
255 1HG2 ILE 37 2HG2 ILE 37 8.899 -25.618 19.201
256 2HG2 ILE 37 1HG2 ILE 37 9.481 -27.087 18.412
257 3HG2 ILE 37 3HG2 ILE 37 9.671 -25.523 17.616
258 1HD1 ILE 37 1HD1 ILE 37 8.654 -28.759 17.181
259 2HD1 ILE 37 3HD1 ILE 37 8.773 -28.750 15.420
260 3HD1 ILE 37 2HD1 ILE 37 9.805 -27.689 16.382
261 H GLY 38 H GLY 38 5.198 -25.145 19.292
262 1HA GLY 38 2HA GLY 38 6.617 -24.411 21.661
263 2HA GLY 38 1HA GLY 38 5.015 -23.846 21.185
264 H ILE 39 H ILE 39 3.608 -26.224 21.065
265 HA ILE 39 HA ILE 39 2.728 -26.631 23.645
266 HB ILE 39 HB ILE 39 2.725 -28.607 21.362
267 1HG1 ILE 39 2HG1 ILE 39 0.720 -26.523 22.246
268 2HG1 ILE 39 1HG1 ILE 39 1.649 -26.530 20.749
269 1HG2 ILE 39 2HG2 ILE 39 2.281 -29.582 23.652
270 2HG2 ILE 39 1HG2 ILE 39 0.870 -28.527 23.750
271 3HG2 ILE 39 3HG2 ILE 39 0.957 -29.767 22.498
272 1HD1 ILE 39 1HD1 ILE 39 0.513 -28.699 20.158
273 2HD1 ILE 39 3HD1 ILE 39 -0.524 -28.468 21.566
274 3HD1 ILE 39 2HD1 ILE 39 -0.568 -27.307 20.237
275 H LYS 40 H LYS 40 5.491 -27.992 22.051
276 HA LYS 40 HA LYS 40 5.949 -30.082 23.989
277 1HB LYS 40 2HB LYS 40 6.710 -30.285 21.653
278 2HB LYS 40 1HB LYS 40 7.789 -28.914 21.894
279 1HG LYS 40 2HG LYS 40 8.358 -30.671 23.999
280 2HG LYS 40 1HG LYS 40 8.175 -31.699 22.580
281 1HD LYS 40 2HD LYS 40 10.129 -31.010 21.728
282 2HD LYS 40 1HD LYS 40 9.711 -29.316 21.968
283 1HE LYS 40 2HE LYS 40 10.379 -29.512 24.342
284 2HE LYS 40 1HE LYS 40 10.847 -31.186 24.058
285 1HZ LYS 40 2HZ LYS 40 12.418 -30.345 22.359
286 2HZ LYS 40 1HZ LYS 40 12.045 -28.760 22.845
287 3HZ LYS 40 3HZ LYS 40 12.778 -29.831 23.938
288 H LEU 41 H LEU 41 7.925 -27.280 23.049
289 HA LEU 41 HA LEU 41 9.560 -27.237 25.302
290 1HB LEU 41 2HB LEU 41 9.960 -24.830 24.695
291 2HB LEU 41 1HB LEU 41 10.185 -25.956 23.353
292 HG LEU 41 HG LEU 41 7.583 -25.360 23.034
293 1HD1 LEU 41 3HD1 LEU 41 7.990 -23.683 25.028
294 2HD1 LEU 41 2HD1 LEU 41 8.629 -22.661 23.740
295 3HD1 LEU 41 1HD1 LEU 41 6.964 -23.242 23.662
296 1HD2 LEU 41 1HD2 LEU 41 10.057 -24.024 21.998
297 2HD2 LEU 41 3HD2 LEU 41 9.001 -25.189 21.196
298 3HD2 LEU 41 2HD2 LEU 41 8.459 -23.526 21.439
299 H PHE 42 H PHE 42 6.514 -25.592 24.720
300 HA PHE 42 HA PHE 42 6.470 -24.136 27.164
301 1HB PHE 42 2HB PHE 42 5.035 -24.042 24.874
302 2HB PHE 42 1HB PHE 42 3.896 -24.869 25.925
303 HD1 PHE 42 HD1 PHE 42 5.872 -21.788 25.456
304 HD2 PHE 42 HD2 PHE 42 2.793 -23.715 27.705
305 HE1 PHE 42 HE1 PHE 42 5.253 -19.626 26.464
306 HE2 PHE 42 HE2 PHE 42 2.176 -21.552 28.711
307 HZ PHE 42 HZ PHE 42 3.406 -19.508 28.092
308 H LYS 43 H LYS 43 5.743 -27.415 26.361
309 HA LYS 43 HA LYS 43 3.979 -27.941 28.546
310 1HB LYS 43 2HB LYS 43 3.673 -29.641 27.082
311 2HB LYS 43 1HB LYS 43 5.277 -29.461 26.394
312 1HG LYS 43 2HG LYS 43 6.232 -30.880 27.895
313 2HG LYS 43 1HG LYS 43 5.003 -30.624 29.124
314 1HD LYS 43 2HD LYS 43 4.520 -32.772 28.338
315 2HD LYS 43 1HD LYS 43 3.393 -31.742 27.457
316 1HE LYS 43 2HE LYS 43 5.596 -31.732 25.818
317 2HE LYS 43 1HE LYS 43 5.620 -33.372 26.463
318 1HZ LYS 43 1HZ LYS 43 3.014 -32.463 25.638
319 2HZ LYS 43 3HZ LYS 43 4.140 -32.552 24.373
320 3HZ LYS 43 2HZ LYS 43 3.810 -33.927 25.313
321 H LYS 44 H LYS 44 7.420 -27.834 28.057
322 HA LYS 44 HA LYS 44 7.979 -28.944 30.699
323 1HB LYS 44 2HB LYS 44 9.491 -28.462 28.239
324 2HB LYS 44 1HB LYS 44 10.369 -28.019 29.698
325 1HG LYS 44 2HG LYS 44 9.663 -30.336 30.612
326 2HG LYS 44 1HG LYS 44 9.233 -30.713 28.941
327 1HD LYS 44 2HD LYS 44 11.411 -31.477 28.980
328 2HD LYS 44 1HD LYS 44 11.664 -29.827 28.396
329 1HE LYS 44 2HE LYS 44 12.171 -30.977 31.152
330 2HE LYS 44 1HE LYS 44 13.293 -30.117 30.104
331 1HZ LYS 44 2HZ LYS 44 10.910 -28.886 31.379
332 2HZ LYS 44 1HZ LYS 44 12.489 -28.792 31.994
333 3HZ LYS 44 3HZ LYS 44 12.124 -28.087 30.497
334 H PHE 45 H PHE 45 9.717 -26.244 29.280
335 HA PHE 45 HA PHE 45 10.415 -24.279 30.265
336 1HB PHE 45 2HB PHE 45 8.559 -23.421 29.154
337 2HB PHE 45 1HB PHE 45 7.414 -24.234 30.206
338 HD1 PHE 45 HD2 PHE 45 10.348 -22.181 31.200
339 HD2 PHE 45 HD1 PHE 45 6.094 -22.439 30.948
340 HE1 PHE 45 HE2 PHE 45 10.143 -20.117 32.531
341 HE2 PHE 45 HE1 PHE 45 5.890 -20.375 32.280
342 HZ PHE 45 HZ PHE 45 7.915 -19.215 33.072
343 H THR 46 H THR 46 11.316 -25.631 32.049
344 HA THR 46 HA THR 46 10.059 -24.919 34.614
345 HB THR 46 HB THR 46 11.450 -26.995 35.401
346 HG1 THR 46 HG1 THR 46 12.325 -28.000 33.785
347 1HG2 THR 46 2HG2 THR 46 8.775 -26.898 34.077
348 2HG2 THR 46 1HG2 THR 46 9.423 -28.456 34.596
349 3HG2 THR 46 3HG2 THR 46 9.181 -27.164 35.773
350 H SER 47 H SER 47 11.696 -23.098 33.495
351 HA SER 47 HA SER 47 14.423 -23.487 34.437
352 1HB SER 47 2HB SER 47 13.300 -20.927 33.346
353 2HB SER 47 1HB SER 47 14.959 -21.511 33.300
354 HG SER 47 HG SER 47 14.309 -22.093 31.335
355 H LYS 48 H LYS 48 11.503 -22.343 35.729
356 HA LYS 48 HA LYS 48 10.933 -20.990 37.493
357 1HB LYS 48 2HB LYS 48 13.295 -22.564 38.494
358 2HB LYS 48 1HB LYS 48 12.230 -21.646 39.553
359 1HG LYS 48 2HG LYS 48 11.493 -23.914 39.612
360 2HG LYS 48 1HG LYS 48 10.318 -23.050 38.634
361 1HD LYS 48 2HD LYS 48 10.856 -24.174 36.755
362 2HD LYS 48 1HD LYS 48 12.578 -24.164 37.118
363 1HE LYS 48 2HE LYS 48 10.467 -26.113 38.007
364 2HE LYS 48 1HE LYS 48 12.007 -26.433 37.218
365 1HZ LYS 48 3HZ LYS 48 12.897 -25.341 39.429
366 2HZ LYS 48 2HZ LYS 48 11.423 -25.934 40.033
367 3HZ LYS 48 1HZ LYS 48 12.545 -26.996 39.325
368 H ALA 49 H ALA 49 14.307 -20.908 38.485
369 HA ALA 49 HA ALA 49 14.324 -18.144 38.935
370 1HB ALA 49 3HB ALA 49 16.081 -20.346 39.247
371 2HB ALA 49 2HB ALA 49 16.970 -19.072 38.405
372 3HB ALA 49 1HB ALA 49 16.213 -18.738 39.966
373 H SER 50 H SER 50 13.422 -17.289 36.957
374 HA SER 50 HA SER 50 13.505 -16.345 34.864
375 1HB SER 50 2HB SER 50 15.948 -15.739 36.270
376 2HB SER 50 1HB SER 50 16.241 -15.820 34.536
377 HG SER 50 HG SER 50 14.034 -14.399 35.612
No H/Q in entry = 377
Start of MODEL 13
1 1H ALA 1 2H ALA 1 -8.411 -13.363 -39.158
2 2H ALA 1 1H ALA 1 -7.974 -12.092 -40.196
3 3H ALA 1 3H ALA 1 -7.247 -13.615 -40.369
4 HA ALA 1 HA ALA 1 -5.992 -13.401 -38.453
5 1HB ALA 1 1HB ALA 1 -5.231 -11.930 -40.314
6 2HB ALA 1 3HB ALA 1 -6.137 -10.602 -39.588
7 3HB ALA 1 2HB ALA 1 -4.780 -11.324 -38.719
8 H GLU 2 H GLU 2 -8.221 -13.570 -37.153
9 HA GLU 2 HA GLU 2 -8.397 -11.177 -35.425
10 1HB GLU 2 2HB GLU 2 -10.675 -11.809 -34.928
11 2HB GLU 2 1HB GLU 2 -10.472 -11.715 -36.674
12 1HG GLU 2 2HG GLU 2 -9.835 -14.346 -36.113
13 2HG GLU 2 1HG GLU 2 -11.161 -14.007 -34.998
14 H GLY 3 H GLY 3 -9.729 -12.267 -33.308
15 1HA GLY 3 2HA GLY 3 -9.239 -13.161 -31.263
16 2HA GLY 3 1HA GLY 3 -9.088 -14.629 -32.213
17 H ASP 4 H ASP 4 -7.554 -14.991 -30.294
18 HA ASP 4 HA ASP 4 -4.846 -14.061 -31.041
19 1HB ASP 4 2HB ASP 4 -6.258 -13.841 -28.526
20 2HB ASP 4 1HB ASP 4 -4.778 -14.787 -28.337
21 H ASP 5 H ASP 5 -5.943 -16.344 -28.604
22 HA ASP 5 HA ASP 5 -5.458 -18.727 -29.971
23 1HB ASP 5 2HB ASP 5 -3.135 -17.867 -29.945
24 2HB ASP 5 1HB ASP 5 -3.222 -17.768 -28.188
25 HA PRO 6 HA PRO 6 -7.802 -19.755 -26.324
26 1HB PRO 6 2HB PRO 6 -7.660 -22.472 -26.559
27 2HB PRO 6 1HB PRO 6 -8.769 -21.450 -27.489
28 1HG PRO 6 2HG PRO 6 -6.124 -22.585 -28.300
29 2HG PRO 6 1HG PRO 6 -7.637 -22.489 -29.225
30 1HD PRO 6 2HD PRO 6 -5.649 -20.726 -29.640
31 2HD PRO 6 1HD PRO 6 -7.350 -20.223 -29.713
32 H ALA 7 H ALA 7 -4.518 -20.527 -26.893
33 HA ALA 7 HA ALA 7 -3.855 -21.959 -24.550
34 1HB ALA 7 2HB ALA 7 -2.273 -20.065 -26.300
35 2HB ALA 7 1HB ALA 7 -1.561 -20.997 -24.978
36 3HB ALA 7 3HB ALA 7 -2.274 -21.831 -26.361
37 H LYS 8 H LYS 8 -4.313 -18.581 -25.297
38 HA LYS 8 HA LYS 8 -3.165 -17.293 -23.145
39 1HB LYS 8 2HB LYS 8 -4.655 -15.477 -23.607
40 2HB LYS 8 1HB LYS 8 -4.255 -16.242 -25.143
41 1HG LYS 8 2HG LYS 8 -6.522 -16.083 -25.403
42 2HG LYS 8 1HG LYS 8 -6.446 -17.644 -24.594
43 1HD LYS 8 2HD LYS 8 -7.776 -16.832 -22.991
44 2HD LYS 8 1HD LYS 8 -6.479 -15.736 -22.531
45 1HE LYS 8 2HE LYS 8 -8.926 -15.213 -24.157
46 2HE LYS 8 1HE LYS 8 -8.169 -14.226 -22.911
47 1HZ LYS 8 2HZ LYS 8 -6.275 -14.113 -24.711
48 2HZ LYS 8 1HZ LYS 8 -7.577 -14.397 -25.766
49 3HZ LYS 8 3HZ LYS 8 -7.598 -13.047 -24.740
50 H ALA 9 H ALA 9 -5.984 -19.306 -23.220
51 HA ALA 9 HA ALA 9 -7.463 -18.465 -21.051
52 1HB ALA 9 1HB ALA 9 -7.948 -20.395 -22.625
53 2HB ALA 9 3HB ALA 9 -6.874 -21.367 -21.617
54 3HB ALA 9 2HB ALA 9 -8.340 -20.669 -20.926
55 H ALA 10 H ALA 10 -4.588 -20.547 -21.044
56 HA ALA 10 HA ALA 10 -4.481 -21.221 -18.355
57 1HB ALA 10 1HB ALA 10 -2.965 -22.066 -20.163
58 2HB ALA 10 3HB ALA 10 -2.093 -20.534 -20.075
59 3HB ALA 10 2HB ALA 10 -2.129 -21.611 -18.676
60 H PHE 11 H PHE 11 -3.459 -18.238 -19.954
61 HA PHE 11 HA PHE 11 -2.043 -17.027 -17.896
62 1HB PHE 11 2HB PHE 11 -2.367 -16.168 -20.243
63 2HB PHE 11 1HB PHE 11 -3.952 -15.593 -19.745
64 HD1 PHE 11 HD2 PHE 11 -1.774 -15.333 -16.986
65 HD2 PHE 11 HD1 PHE 11 -2.714 -13.424 -20.703
66 HE1 PHE 11 HE2 PHE 11 -0.752 -13.245 -16.180
67 HE2 PHE 11 HE1 PHE 11 -1.690 -11.346 -19.883
68 HZ PHE 11 HZ PHE 11 -0.710 -11.252 -17.627
69 H ASN 12 H ASN 12 -5.552 -17.004 -18.494
70 HA ASN 12 HA ASN 12 -6.145 -15.472 -16.138
71 1HB ASN 12 2HB ASN 12 -7.532 -15.823 -18.348
72 2HB ASN 12 1HB ASN 12 -8.182 -17.206 -17.468
73 1HD2 ASN 12 2HD2 ASN 12 -10.248 -14.173 -16.778
74 2HD2 ASN 12 1HD2 ASN 12 -9.737 -15.000 -18.207
75 H SER 13 H SER 13 -6.148 -18.912 -16.974
76 HA SER 13 HA SER 13 -7.415 -19.944 -14.715
77 1HB SER 13 2HB SER 13 -5.142 -21.498 -15.751
78 2HB SER 13 1HB SER 13 -6.826 -21.958 -15.556
79 HG SER 13 HG SER 13 -7.265 -21.210 -17.530
80 H LEU 14 H LEU 14 -4.014 -19.101 -15.247
81 HA LEU 14 HA LEU 14 -2.866 -20.146 -12.961
82 1HB LEU 14 2HB LEU 14 -1.784 -18.857 -14.915
83 2HB LEU 14 1HB LEU 14 -2.119 -17.416 -13.962
84 HG LEU 14 HG LEU 14 -0.923 -18.544 -12.062
85 1HD1 LEU 14 2HD1 LEU 14 -1.098 -20.833 -13.364
86 2HD1 LEU 14 1HD1 LEU 14 0.455 -20.308 -14.021
87 3HD1 LEU 14 3HD1 LEU 14 0.252 -20.496 -12.280
88 1HD2 LEU 14 1HD2 LEU 14 0.587 -17.833 -14.568
89 2HD2 LEU 14 3HD2 LEU 14 0.237 -16.800 -13.179
90 3HD2 LEU 14 2HD2 LEU 14 1.377 -18.137 -13.021
91 H GLN 15 H GLN 15 -5.034 -17.480 -13.281
92 HA GLN 15 HA GLN 15 -4.496 -16.425 -10.628
93 1HB GLN 15 2HB GLN 15 -5.187 -15.047 -12.658
94 2HB GLN 15 1HB GLN 15 -6.802 -15.707 -12.424
95 1HG GLN 15 2HG GLN 15 -6.332 -14.891 -9.919
96 2HG GLN 15 1HG GLN 15 -5.295 -13.752 -10.777
97 1HE2 GLN 15 2HD2 GLN 15 -8.181 -12.568 -12.757
98 2HE2 GLN 15 1HD2 GLN 15 -6.657 -13.315 -13.081
99 H ALA 16 H ALA 16 -6.510 -18.821 -12.041
100 HA ALA 16 HA ALA 16 -8.484 -18.756 -9.897
101 1HB ALA 16 1HB ALA 16 -8.155 -20.431 -12.384
102 2HB ALA 16 3HB ALA 16 -9.397 -20.758 -11.171
103 3HB ALA 16 2HB ALA 16 -9.394 -19.222 -12.041
104 H SER 17 H SER 17 -5.570 -20.411 -10.761
105 HA SER 17 HA SER 17 -6.057 -22.564 -8.836
106 1HB SER 17 2HB SER 17 -3.761 -22.099 -10.739
107 2HB SER 17 1HB SER 17 -3.970 -23.516 -9.717
108 HG SER 17 HG SER 17 -5.532 -22.656 -11.923
109 H ALA 18 H ALA 18 -4.593 -19.493 -8.943
110 HA ALA 18 HA ALA 18 -2.351 -19.814 -7.295
111 1HB ALA 18 2HB ALA 18 -4.230 -17.478 -7.648
112 2HB ALA 18 1HB ALA 18 -2.719 -17.394 -6.740
113 3HB ALA 18 3HB ALA 18 -2.691 -17.751 -8.468
114 H THR 19 H THR 19 -5.723 -19.088 -6.441
115 HA THR 19 HA THR 19 -5.536 -18.704 -3.731
116 HB THR 19 HB THR 19 -7.726 -20.463 -4.651
117 HG1 THR 19 HG1 THR 19 -8.610 -18.483 -5.693
118 1HG2 THR 19 1HG2 THR 19 -7.735 -19.367 -2.438
119 2HG2 THR 19 3HG2 THR 19 -7.701 -17.794 -3.238
120 3HG2 THR 19 2HG2 THR 19 -9.093 -18.860 -3.445
121 H GLU 20 H GLU 20 -5.252 -21.721 -5.483
122 HA GLU 20 HA GLU 20 -5.516 -23.442 -3.235
123 1HB GLU 20 2HB GLU 20 -4.623 -23.693 -6.060
124 2HB GLU 20 1HB GLU 20 -4.252 -24.979 -4.937
125 1HG GLU 20 2HG GLU 20 -6.594 -25.289 -4.423
126 2HG GLU 20 1HG GLU 20 -7.026 -23.877 -5.386
127 H TYR 21 H TYR 21 -2.965 -21.376 -4.163
128 HA TYR 21 HA TYR 21 -1.091 -22.970 -2.545
129 1HB TYR 21 2HB TYR 21 -0.573 -21.387 -5.050
130 2HB TYR 21 1HB TYR 21 0.690 -22.008 -4.006
131 HD1 TYR 21 HD2 TYR 21 0.041 -24.657 -3.336
132 HD2 TYR 21 HD1 TYR 21 -0.798 -22.598 -6.979
133 HE1 TYR 21 HE2 TYR 21 -0.066 -26.809 -4.532
134 HE2 TYR 21 HE1 TYR 21 -0.901 -24.752 -8.171
135 HH TYR 21 HH TYR 21 -1.252 -27.079 -7.742
136 H ILE 22 H ILE 22 -2.751 -20.046 -2.701
137 HA ILE 22 HA ILE 22 -0.696 -18.317 -1.740
138 HB ILE 22 HB ILE 22 -3.695 -18.161 -1.962
139 1HG1 ILE 22 2HG1 ILE 22 -1.426 -16.689 -3.351
140 2HG1 ILE 22 1HG1 ILE 22 -2.503 -17.910 -4.065
141 1HG2 ILE 22 3HG2 ILE 22 -1.881 -16.050 -0.809
142 2HG2 ILE 22 2HG2 ILE 22 -3.559 -15.791 -1.289
143 3HG2 ILE 22 1HG2 ILE 22 -3.179 -16.914 0.017
144 1HD1 ILE 22 3HD1 ILE 22 -4.171 -15.873 -2.961
145 2HD1 ILE 22 2HD1 ILE 22 -2.882 -15.045 -3.834
146 3HD1 ILE 22 1HD1 ILE 22 -3.897 -16.222 -4.670
147 H GLY 23 H GLY 23 -2.206 -20.887 -0.266
148 1HA GLY 23 2HA GLY 23 -1.292 -21.228 2.050
149 2HA GLY 23 1HA GLY 23 -1.983 -19.645 2.405
150 H TYR 24 H TYR 24 -2.960 -22.794 1.059
151 HA TYR 24 HA TYR 24 -5.577 -22.470 2.353
152 1HB TYR 24 2HB TYR 24 -6.501 -23.308 0.509
153 2HB TYR 24 1HB TYR 24 -4.962 -22.988 -0.255
154 HD1 TYR 24 HD2 TYR 24 -7.153 -25.545 1.163
155 HD2 TYR 24 HD1 TYR 24 -3.454 -24.800 -0.815
156 HE1 TYR 24 HE2 TYR 24 -6.947 -27.948 0.648
157 HE2 TYR 24 HE1 TYR 24 -3.242 -27.201 -1.330
158 HH TYR 24 HH TYR 24 -5.537 -29.282 -1.396
159 H ALA 25 H ALA 25 -3.142 -24.973 1.625
160 HA ALA 25 HA ALA 25 -4.105 -26.516 3.946
161 1HB ALA 25 3HB ALA 25 -2.483 -27.267 1.505
162 2HB ALA 25 2HB ALA 25 -2.628 -28.331 2.906
163 3HB ALA 25 1HB ALA 25 -4.067 -27.881 1.985
164 H TRP 26 H TRP 26 -1.063 -25.531 2.359
165 HA TRP 26 HA TRP 26 0.700 -26.228 4.396
166 1HB TRP 26 2HB TRP 26 0.691 -24.336 2.107
167 2HB TRP 26 1HB TRP 26 1.904 -24.082 3.351
168 HD1 TRP 26 1HD TRP 26 1.509 -25.848 0.188
169 HE1 TRP 26 1HE TRP 26 3.197 -27.751 -0.024
170 HE3 TRP 26 3HE TRP 26 3.085 -26.197 5.051
171 HZ2 TRP 26 2HZ TRP 26 4.958 -29.216 1.590
172 HZ3 TRP 26 3HZ TRP 26 4.780 -27.879 5.645
173 HH2 TRP 26 HH2 TRP 26 5.711 -29.377 3.931
174 H ALA 27 H ALA 27 -1.486 -23.545 4.049
175 HA ALA 27 HA ALA 27 -0.348 -21.905 6.119
176 1HB ALA 27 3HB ALA 27 -2.827 -21.871 4.446
177 2HB ALA 27 2HB ALA 27 -2.798 -20.914 5.931
178 3HB ALA 27 1HB ALA 27 -1.599 -20.622 4.670
179 H MET 28 H MET 28 -2.879 -24.352 5.902
180 HA MET 28 HA MET 28 -3.911 -23.960 8.523
181 1HB MET 28 2HB MET 28 -5.102 -25.115 6.626
182 2HB MET 28 1HB MET 28 -3.976 -26.455 6.804
183 1HG MET 28 2HG MET 28 -6.266 -26.669 7.923
184 2HG MET 28 1HG MET 28 -4.850 -27.088 8.865
185 1HE MET 28 3HE MET 28 -8.033 -25.937 8.993
186 2HE MET 28 2HE MET 28 -7.621 -26.454 10.628
187 3HE MET 28 1HE MET 28 -8.173 -24.804 10.345
188 H VAL 29 H VAL 29 -1.505 -26.090 7.055
189 HA VAL 29 HA VAL 29 -0.882 -27.694 9.269
190 HB VAL 29 HB VAL 29 0.956 -26.695 7.091
191 1HG1 VAL 29 3HG1 VAL 29 1.228 -28.770 9.214
192 2HG1 VAL 29 2HG1 VAL 29 1.975 -29.057 7.641
193 3HG1 VAL 29 1HG1 VAL 29 2.424 -27.635 8.587
194 1HG2 VAL 29 2HG2 VAL 29 -1.272 -27.994 6.558
195 2HG2 VAL 29 1HG2 VAL 29 0.230 -28.388 5.718
196 3HG2 VAL 29 3HG2 VAL 29 -0.319 -29.391 7.063
197 H VAL 30 H VAL 30 0.145 -24.491 8.305
198 HA VAL 30 HA VAL 30 2.188 -24.101 10.218
199 HB VAL 30 HB VAL 30 0.414 -22.255 8.647
200 1HG1 VAL 30 1HG1 VAL 30 2.048 -21.583 10.955
201 2HG1 VAL 30 3HG1 VAL 30 2.541 -20.710 9.503
202 3HG1 VAL 30 2HG1 VAL 30 0.874 -20.601 10.074
203 1HG2 VAL 30 2HG2 VAL 30 2.344 -23.684 7.668
204 2HG2 VAL 30 1HG2 VAL 30 2.217 -21.982 7.216
205 3HG2 VAL 30 3HG2 VAL 30 3.390 -22.487 8.435
206 H VAL 31 H VAL 31 -1.286 -23.647 10.249
207 HA VAL 31 HA VAL 31 -1.500 -22.332 12.747
208 HB VAL 31 HB VAL 31 -3.227 -23.409 10.718
209 1HG1 VAL 31 1HG1 VAL 31 -4.117 -23.978 13.543
210 2HG1 VAL 31 3HG1 VAL 31 -5.168 -24.010 12.124
211 3HG1 VAL 31 2HG1 VAL 31 -3.838 -25.164 12.267
212 1HG2 VAL 31 1HG2 VAL 31 -2.977 -21.049 11.627
213 2HG2 VAL 31 3HG2 VAL 31 -4.622 -21.613 11.326
214 3HG2 VAL 31 2HG2 VAL 31 -3.989 -21.572 12.974
215 H ILE 32 H ILE 32 -1.902 -25.721 11.815
216 HA ILE 32 HA ILE 32 -2.319 -26.872 14.294
217 HB ILE 32 HB ILE 32 -0.964 -27.849 11.805
218 1HG1 ILE 32 2HG1 ILE 32 -3.641 -28.504 13.026
219 2HG1 ILE 32 1HG1 ILE 32 -3.367 -27.389 11.692
220 1HG2 ILE 32 3HG2 ILE 32 -1.267 -29.233 14.424
221 2HG2 ILE 32 2HG2 ILE 32 -1.539 -30.172 12.956
222 3HG2 ILE 32 1HG2 ILE 32 0.012 -29.372 13.216
223 1HD1 ILE 32 1HD1 ILE 32 -2.246 -30.114 11.380
224 2HD1 ILE 32 3HD1 ILE 32 -4.003 -29.971 11.317
225 3HD1 ILE 32 2HD1 ILE 32 -3.001 -29.058 10.183
226 H VAL 33 H VAL 33 0.741 -26.034 12.694
227 HA VAL 33 HA VAL 33 2.556 -27.198 14.395
228 HB VAL 33 HB VAL 33 2.721 -24.530 13.009
229 1HG1 VAL 33 1HG1 VAL 33 4.641 -26.066 14.618
230 2HG1 VAL 33 3HG1 VAL 33 5.251 -25.494 13.065
231 3HG1 VAL 33 2HG1 VAL 33 4.599 -24.344 14.235
232 1HG2 VAL 33 2HG2 VAL 33 2.570 -27.171 11.993
233 2HG2 VAL 33 1HG2 VAL 33 2.869 -25.675 11.106
234 3HG2 VAL 33 3HG2 VAL 33 4.224 -26.603 11.752
235 H GLY 34 H GLY 34 0.847 -24.125 14.754
236 1HA GLY 34 2HA GLY 34 2.158 -23.048 16.951
237 2HA GLY 34 1HA GLY 34 0.447 -22.807 16.596
238 H ALA 35 H ALA 35 -0.394 -25.496 16.846
239 HA ALA 35 HA ALA 35 -0.705 -25.658 19.693
240 1HB ALA 35 2HB ALA 35 -1.699 -27.197 17.334
241 2HB ALA 35 1HB ALA 35 -1.818 -27.923 18.938
242 3HB ALA 35 3HB ALA 35 -2.607 -26.379 18.607
243 H THR 36 H THR 36 1.105 -27.455 17.253
244 HA THR 36 HA THR 36 2.017 -29.509 19.017
245 HB THR 36 HB THR 36 3.288 -28.582 16.447
246 HG1 THR 36 HG1 THR 36 1.717 -29.542 15.406
247 1HG2 THR 36 2HG2 THR 36 3.995 -30.581 18.296
248 2HG2 THR 36 1HG2 THR 36 3.288 -31.418 16.911
249 3HG2 THR 36 3HG2 THR 36 4.656 -30.327 16.678
250 H ILE 37 H ILE 37 3.444 -26.491 17.807
251 HA ILE 37 HA ILE 37 5.985 -26.730 18.912
252 HB ILE 37 HB ILE 37 4.279 -24.349 18.332
253 1HG1 ILE 37 2HG1 ILE 37 5.109 -26.051 16.569
254 2HG1 ILE 37 1HG1 ILE 37 5.275 -24.340 16.266
255 1HG2 ILE 37 1HG2 ILE 37 6.846 -24.464 19.699
256 2HG2 ILE 37 3HG2 ILE 37 6.883 -23.466 18.242
257 3HG2 ILE 37 2HG2 ILE 37 5.718 -23.118 19.519
258 1HD1 ILE 37 1HD1 ILE 37 7.551 -25.465 17.677
259 2HD1 ILE 37 3HD1 ILE 37 7.285 -26.205 16.099
260 3HD1 ILE 37 2HD1 ILE 37 7.516 -24.460 16.228
261 H GLY 38 H GLY 38 3.014 -25.399 20.313
262 1HA GLY 38 2HA GLY 38 4.028 -24.419 22.724
263 2HA GLY 38 1HA GLY 38 2.380 -24.998 22.485
264 H ILE 39 H ILE 39 2.587 -27.617 22.073
265 HA ILE 39 HA ILE 39 2.908 -28.758 24.575
266 HB ILE 39 HB ILE 39 3.162 -30.065 21.867
267 1HG1 ILE 39 2HG1 ILE 39 0.795 -29.739 23.720
268 2HG1 ILE 39 1HG1 ILE 39 1.043 -28.890 22.196
269 1HG2 ILE 39 3HG2 ILE 39 4.087 -31.448 23.724
270 2HG2 ILE 39 2HG2 ILE 39 2.525 -31.340 24.538
271 3HG2 ILE 39 1HG2 ILE 39 2.653 -32.164 22.983
272 1HD1 ILE 39 3HD1 ILE 39 0.782 -31.890 22.495
273 2HD1 ILE 39 2HD1 ILE 39 -0.500 -30.806 21.950
274 3HD1 ILE 39 1HD1 ILE 39 0.960 -31.008 20.978
275 H LYS 40 H LYS 40 5.284 -28.061 22.145
276 HA LYS 40 HA LYS 40 7.341 -29.725 23.337
277 1HB LYS 40 2HB LYS 40 7.266 -29.348 20.907
278 2HB LYS 40 1HB LYS 40 7.519 -27.624 21.170
279 1HG LYS 40 2HG LYS 40 9.663 -28.274 22.391
280 2HG LYS 40 1HG LYS 40 9.428 -29.892 21.734
281 1HD LYS 40 2HD LYS 40 10.867 -28.830 20.200
282 2HD LYS 40 1HD LYS 40 9.278 -28.756 19.442
283 1HE LYS 40 2HE LYS 40 8.999 -26.464 20.080
284 2HE LYS 40 1HE LYS 40 10.432 -26.515 21.103
285 1HZ LYS 40 1HZ LYS 40 11.688 -27.036 18.997
286 2HZ LYS 40 3HZ LYS 40 10.288 -26.592 18.150
287 3HZ LYS 40 2HZ LYS 40 11.078 -25.456 19.135
288 H LEU 41 H LEU 41 7.229 -26.234 22.614
289 HA LEU 41 HA LEU 41 9.284 -25.400 24.238
290 1HB LEU 41 2HB LEU 41 8.062 -23.203 24.362
291 2HB LEU 41 1HB LEU 41 8.258 -23.828 22.723
292 HG LEU 41 HG LEU 41 5.900 -24.907 23.253
293 1HD1 LEU 41 2HD1 LEU 41 6.230 -23.533 25.594
294 2HD1 LEU 41 1HD1 LEU 41 5.286 -22.394 24.633
295 3HD1 LEU 41 3HD1 LEU 41 4.675 -24.024 24.919
296 1HD2 LEU 41 3HD2 LEU 41 6.597 -22.150 22.316
297 2HD2 LEU 41 2HD2 LEU 41 6.042 -23.543 21.387
298 3HD2 LEU 41 1HD2 LEU 41 4.908 -22.654 22.404
299 H PHE 42 H PHE 42 5.938 -25.926 25.130
300 HA PHE 42 HA PHE 42 5.725 -24.920 27.646
301 1HB PHE 42 2HB PHE 42 4.028 -26.286 26.361
302 2HB PHE 42 1HB PHE 42 4.829 -27.718 26.988
303 HD1 PHE 42 HD2 PHE 42 4.695 -28.294 29.342
304 HD2 PHE 42 HD1 PHE 42 2.736 -24.827 27.802
305 HE1 PHE 42 HE2 PHE 42 3.369 -28.125 31.412
306 HE2 PHE 42 HE1 PHE 42 1.411 -24.658 29.873
307 HZ PHE 42 HZ PHE 42 1.726 -26.306 31.677
308 H LYS 43 H LYS 43 7.494 -27.812 26.709
309 HA LYS 43 HA LYS 43 8.154 -28.489 29.447
310 1HB LYS 43 2HB LYS 43 8.023 -30.470 28.358
311 2HB LYS 43 1HB LYS 43 8.368 -29.747 26.795
312 1HG LYS 43 2HG LYS 43 10.617 -29.977 27.029
313 2HG LYS 43 1HG LYS 43 10.574 -29.956 28.787
314 1HD LYS 43 2HD LYS 43 11.059 -32.193 28.271
315 2HD LYS 43 1HD LYS 43 9.328 -32.187 28.602
316 1HE LYS 43 2HE LYS 43 9.013 -33.137 26.600
317 2HE LYS 43 1HE LYS 43 9.560 -31.635 25.862
318 1HZ LYS 43 2HZ LYS 43 11.798 -33.099 26.706
319 2HZ LYS 43 1HZ LYS 43 10.794 -34.131 25.804
320 3HZ LYS 43 3HZ LYS 43 11.344 -32.678 25.125
321 H LYS 44 H LYS 44 9.665 -26.867 26.720
322 HA LYS 44 HA LYS 44 12.282 -26.808 27.922
323 1HB LYS 44 2HB LYS 44 11.020 -25.818 25.441
324 2HB LYS 44 1HB LYS 44 12.390 -24.883 26.038
325 1HG LYS 44 2HG LYS 44 13.312 -27.462 26.316
326 2HG LYS 44 1HG LYS 44 12.351 -27.578 24.839
327 1HD LYS 44 2HD LYS 44 14.323 -26.891 23.900
328 2HD LYS 44 1HD LYS 44 13.634 -25.298 24.246
329 1HE LYS 44 2HE LYS 44 15.824 -26.800 25.684
330 2HE LYS 44 1HE LYS 44 15.824 -25.134 25.114
331 1HZ LYS 44 2HZ LYS 44 14.147 -24.644 26.838
332 2HZ LYS 44 1HZ LYS 44 14.317 -26.228 27.427
333 3HZ LYS 44 3HZ LYS 44 15.632 -25.159 27.480
334 H PHE 45 H PHE 45 9.498 -24.713 27.767
335 HA PHE 45 HA PHE 45 10.690 -22.330 28.708
336 1HB PHE 45 2HB PHE 45 8.465 -22.441 27.646
337 2HB PHE 45 1HB PHE 45 7.844 -23.277 29.065
338 HD1 PHE 45 HD1 PHE 45 9.635 -20.139 28.116
339 HD2 PHE 45 HD2 PHE 45 6.862 -22.042 30.747
340 HE1 PHE 45 HE1 PHE 45 9.157 -17.969 29.182
341 HE2 PHE 45 HE2 PHE 45 6.385 -19.873 31.813
342 HZ PHE 45 HZ PHE 45 7.531 -17.836 31.031
343 H THR 46 H THR 46 9.770 -25.249 30.311
344 HA THR 46 HA THR 46 9.858 -24.005 32.949
345 HB THR 46 HB THR 46 9.436 -26.501 33.597
346 HG1 THR 46 HG1 THR 46 9.351 -27.737 31.905
347 1HG2 THR 46 2HG2 THR 46 7.687 -24.348 32.711
348 2HG2 THR 46 1HG2 THR 46 6.944 -25.941 32.544
349 3HG2 THR 46 3HG2 THR 46 7.550 -25.410 34.114
350 H SER 47 H SER 47 12.257 -24.060 31.366
351 HA SER 47 HA SER 47 14.023 -25.306 33.294
352 1HB SER 47 2HB SER 47 13.571 -26.437 30.601
353 2HB SER 47 1HB SER 47 15.254 -26.260 31.086
354 HG SER 47 HG SER 47 13.409 -28.067 31.908
355 H LYS 48 H LYS 48 14.307 -24.204 29.917
356 HA LYS 48 HA LYS 48 15.930 -22.840 28.967
357 1HB LYS 48 2HB LYS 48 14.460 -21.101 30.931
358 2HB LYS 48 1HB LYS 48 15.433 -20.487 29.596
359 1HG LYS 48 2HG LYS 48 13.158 -22.420 29.182
360 2HG LYS 48 1HG LYS 48 12.910 -20.677 29.216
361 1HD LYS 48 2HD LYS 48 14.960 -20.824 27.464
362 2HD LYS 48 1HD LYS 48 14.202 -22.385 27.173
363 1HE LYS 48 2HE LYS 48 13.441 -20.367 25.749
364 2HE LYS 48 1HE LYS 48 12.204 -21.419 26.428
365 1HZ LYS 48 3HZ LYS 48 13.093 -19.052 27.932
366 2HZ LYS 48 2HZ LYS 48 11.996 -18.865 26.647
367 3HZ LYS 48 1HZ LYS 48 11.598 -19.852 27.973
368 H ALA 49 H ALA 49 17.598 -24.173 30.324
369 HA ALA 49 HA ALA 49 18.844 -23.146 32.595
370 1HB ALA 49 2HB ALA 49 19.283 -25.204 30.709
371 2HB ALA 49 1HB ALA 49 20.789 -24.292 30.839
372 3HB ALA 49 3HB ALA 49 20.056 -24.994 32.284
373 H SER 50 H SER 50 19.875 -21.296 32.923
374 HA SER 50 HA SER 50 20.962 -19.311 32.547
375 1HB SER 50 2HB SER 50 22.652 -21.217 31.857
376 2HB SER 50 1HB SER 50 22.414 -20.544 30.249
377 HG SER 50 HG SER 50 23.294 -19.170 32.589
No H/Q in entry = 377
Start of MODEL 14
1 1H ALA 1 3H ALA 1 -25.400 -63.684 -7.384
2 2H ALA 1 2H ALA 1 -26.164 -63.761 -8.900
3 3H ALA 1 1H ALA 1 -24.561 -64.296 -8.726
4 HA ALA 1 HA ALA 1 -23.705 -62.188 -8.555
5 1HB ALA 1 2HB ALA 1 -25.677 -62.631 -10.626
6 2HB ALA 1 1HB ALA 1 -25.531 -60.914 -10.245
7 3HB ALA 1 3HB ALA 1 -24.105 -61.836 -10.729
8 H GLU 2 H GLU 2 -24.262 -61.714 -6.304
9 HA GLU 2 HA GLU 2 -26.581 -59.978 -5.885
10 1HB GLU 2 2HB GLU 2 -25.860 -60.055 -3.505
11 2HB GLU 2 1HB GLU 2 -26.171 -61.651 -4.186
12 1HG GLU 2 2HG GLU 2 -24.048 -62.304 -3.853
13 2HG GLU 2 1HG GLU 2 -23.403 -60.821 -4.557
14 H GLY 3 H GLY 3 -25.514 -58.423 -7.432
15 1HA GLY 3 2HA GLY 3 -23.235 -57.044 -7.209
16 2HA GLY 3 1HA GLY 3 -24.748 -56.266 -7.647
17 H ASP 4 H ASP 4 -22.760 -54.870 -6.318
18 HA ASP 4 HA ASP 4 -23.378 -54.791 -3.477
19 1HB ASP 4 2HB ASP 4 -21.329 -53.676 -5.257
20 2HB ASP 4 1HB ASP 4 -21.865 -52.562 -3.995
21 H ASP 5 H ASP 5 -23.027 -52.046 -5.646
22 HA ASP 5 HA ASP 5 -25.645 -51.139 -5.741
23 1HB ASP 5 2HB ASP 5 -25.547 -50.977 -3.336
24 2HB ASP 5 1HB ASP 5 -24.006 -50.127 -3.426
25 HA PRO 6 HA PRO 6 -23.203 -48.753 -8.630
26 1HB PRO 6 2HB PRO 6 -25.215 -47.115 -9.489
27 2HB PRO 6 1HB PRO 6 -24.967 -48.772 -10.069
28 1HG PRO 6 2HG PRO 6 -26.847 -47.773 -7.965
29 2HG PRO 6 1HG PRO 6 -27.143 -48.940 -9.272
30 1HD PRO 6 2HD PRO 6 -26.680 -49.779 -6.769
31 2HD PRO 6 1HD PRO 6 -26.024 -50.665 -8.160
32 H ALA 7 H ALA 7 -24.882 -47.617 -5.867
33 HA ALA 7 HA ALA 7 -24.354 -44.870 -5.868
34 1HB ALA 7 3HB ALA 7 -24.448 -46.876 -3.601
35 2HB ALA 7 2HB ALA 7 -24.436 -45.121 -3.379
36 3HB ALA 7 1HB ALA 7 -25.792 -45.899 -4.202
37 H LYS 8 H LYS 8 -22.382 -47.661 -5.207
38 HA LYS 8 HA LYS 8 -20.224 -46.703 -3.833
39 1HB LYS 8 2HB LYS 8 -18.946 -48.477 -4.824
40 2HB LYS 8 1HB LYS 8 -20.599 -49.050 -4.599
41 1HG LYS 8 2HG LYS 8 -20.571 -49.638 -6.756
42 2HG LYS 8 1HG LYS 8 -20.617 -47.920 -7.139
43 1HD LYS 8 2HD LYS 8 -18.249 -47.804 -7.352
44 2HD LYS 8 1HD LYS 8 -18.034 -49.393 -6.624
45 1HE LYS 8 2HE LYS 8 -17.937 -48.998 -9.270
46 2HE LYS 8 1HE LYS 8 -18.525 -50.499 -8.564
47 1HZ LYS 8 2HZ LYS 8 -20.217 -48.206 -9.407
48 2HZ LYS 8 1HZ LYS 8 -20.011 -49.654 -10.274
49 3HZ LYS 8 3HZ LYS 8 -20.779 -49.674 -8.761
50 H ALA 9 H ALA 9 -21.131 -45.981 -7.113
51 HA ALA 9 HA ALA 9 -18.589 -44.942 -7.940
52 1HB ALA 9 1HB ALA 9 -20.310 -45.774 -9.524
53 2HB ALA 9 3HB ALA 9 -21.331 -44.402 -9.092
54 3HB ALA 9 2HB ALA 9 -19.780 -44.131 -9.890
55 H ALA 10 H ALA 10 -21.653 -43.458 -6.906
56 HA ALA 10 HA ALA 10 -20.652 -40.781 -7.005
57 1HB ALA 10 2HB ALA 10 -23.055 -41.342 -7.202
58 2HB ALA 10 1HB ALA 10 -23.051 -41.866 -5.517
59 3HB ALA 10 3HB ALA 10 -22.741 -40.176 -5.915
60 H PHE 11 H PHE 11 -21.270 -43.075 -4.360
61 HA PHE 11 HA PHE 11 -20.591 -41.492 -2.190
62 1HB PHE 11 2HB PHE 11 -21.498 -43.882 -2.246
63 2HB PHE 11 1HB PHE 11 -19.825 -44.395 -2.420
64 HD1 PHE 11 HD1 PHE 11 -19.783 -41.490 -0.455
65 HD2 PHE 11 HD2 PHE 11 -20.794 -45.647 -0.229
66 HE1 PHE 11 HE1 PHE 11 -19.527 -41.427 1.989
67 HE2 PHE 11 HE2 PHE 11 -20.533 -45.567 2.214
68 HZ PHE 11 HZ PHE 11 -19.901 -43.463 3.324
69 H ASN 12 H ASN 12 -18.542 -42.986 -4.577
70 HA ASN 12 HA ASN 12 -16.094 -42.543 -3.081
71 1HB ASN 12 2HB ASN 12 -16.650 -44.418 -4.816
72 2HB ASN 12 1HB ASN 12 -16.167 -43.200 -5.995
73 1HD2 ASN 12 2HD2 ASN 12 -12.841 -44.065 -5.584
74 2HD2 ASN 12 1HD2 ASN 12 -14.175 -43.715 -6.625
75 H SER 13 H SER 13 -18.082 -40.414 -4.476
76 HA SER 13 HA SER 13 -16.019 -38.868 -5.873
77 1HB SER 13 2HB SER 13 -18.484 -39.287 -6.669
78 2HB SER 13 1HB SER 13 -18.846 -37.955 -5.580
79 HG SER 13 HG SER 13 -16.779 -37.799 -7.521
80 H LEU 14 H LEU 14 -18.250 -38.665 -3.137
81 HA LEU 14 HA LEU 14 -17.844 -36.064 -2.316
82 1HB LEU 14 2HB LEU 14 -19.455 -37.525 -1.241
83 2HB LEU 14 1HB LEU 14 -18.161 -38.521 -0.590
84 HG LEU 14 HG LEU 14 -17.326 -36.509 0.609
85 1HD1 LEU 14 3HD1 LEU 14 -18.586 -34.913 -0.957
86 2HD1 LEU 14 2HD1 LEU 14 -19.984 -35.226 0.076
87 3HD1 LEU 14 1HD1 LEU 14 -18.524 -34.508 0.758
88 1HD2 LEU 14 3HD2 LEU 14 -20.097 -37.504 1.240
89 2HD2 LEU 14 2HD2 LEU 14 -18.562 -38.068 1.906
90 3HD2 LEU 14 1HD2 LEU 14 -19.171 -36.468 2.326
91 H GLN 15 H GLN 15 -15.661 -38.736 -2.192
92 HA GLN 15 HA GLN 15 -13.829 -37.470 -0.332
93 1HB GLN 15 2HB GLN 15 -14.225 -39.991 -0.621
94 2HB GLN 15 1HB GLN 15 -13.227 -39.852 -2.063
95 1HG GLN 15 2HG GLN 15 -11.590 -38.607 -0.395
96 2HG GLN 15 1HG GLN 15 -12.470 -39.557 0.803
97 1HE2 GLN 15 2HD2 GLN 15 -11.395 -42.712 -0.557
98 2HE2 GLN 15 1HD2 GLN 15 -12.793 -41.922 0.084
99 H ALA 16 H ALA 16 -14.304 -37.683 -3.771
100 HA ALA 16 HA ALA 16 -11.679 -36.970 -4.596
101 1HB ALA 16 2HB ALA 16 -14.383 -37.017 -5.880
102 2HB ALA 16 1HB ALA 16 -13.051 -36.190 -6.693
103 3HB ALA 16 3HB ALA 16 -12.921 -37.908 -6.311
104 H SER 17 H SER 17 -14.407 -35.177 -3.424
105 HA SER 17 HA SER 17 -13.570 -32.617 -4.424
106 1HB SER 17 2HB SER 17 -15.866 -32.771 -4.005
107 2HB SER 17 1HB SER 17 -15.626 -33.552 -2.446
108 HG SER 17 HG SER 17 -16.208 -31.256 -2.366
109 H ALA 18 H ALA 18 -12.804 -34.564 -1.674
110 HA ALA 18 HA ALA 18 -12.039 -32.683 0.225
111 1HB ALA 18 3HB ALA 18 -12.124 -35.170 0.531
112 2HB ALA 18 2HB ALA 18 -10.600 -35.276 -0.354
113 3HB ALA 18 1HB ALA 18 -10.671 -34.411 1.184
114 H THR 19 H THR 19 -10.218 -33.975 -2.523
115 HA THR 19 HA THR 19 -7.700 -32.983 -2.084
116 HB THR 19 HB THR 19 -8.690 -32.557 -4.818
117 HG1 THR 19 HG1 THR 19 -8.789 -35.138 -3.639
118 1HG2 THR 19 1HG2 THR 19 -6.277 -32.743 -4.056
119 2HG2 THR 19 3HG2 THR 19 -6.587 -34.464 -3.812
120 3HG2 THR 19 2HG2 THR 19 -6.741 -33.759 -5.423
121 H GLU 20 H GLU 20 -10.477 -31.223 -3.418
122 HA GLU 20 HA GLU 20 -9.059 -28.800 -3.888
123 1HB GLU 20 2HB GLU 20 -11.828 -29.758 -4.056
124 2HB GLU 20 1HB GLU 20 -11.661 -28.063 -3.665
125 1HG GLU 20 2HG GLU 20 -10.179 -29.308 -5.937
126 2HG GLU 20 1HG GLU 20 -11.790 -28.633 -6.141
127 H TYR 21 H TYR 21 -9.907 -30.242 -0.986
128 HA TYR 21 HA TYR 21 -10.356 -27.685 0.385
129 1HB TYR 21 2HB TYR 21 -10.981 -30.523 0.975
130 2HB TYR 21 1HB TYR 21 -10.635 -29.472 2.343
131 HD1 TYR 21 HD1 TYR 21 -12.910 -30.115 -0.470
132 HD2 TYR 21 HD2 TYR 21 -12.132 -27.697 2.960
133 HE1 TYR 21 HE1 TYR 21 -15.208 -29.226 -0.573
134 HE2 TYR 21 HE2 TYR 21 -14.429 -26.811 2.853
135 HH TYR 21 HH TYR 21 -16.758 -27.853 1.785
136 H ILE 22 H ILE 22 -8.117 -30.396 0.179
137 HA ILE 22 HA ILE 22 -6.532 -29.716 2.415
138 HB ILE 22 HB ILE 22 -6.048 -31.329 -0.088
139 1HG1 ILE 22 2HG1 ILE 22 -6.440 -32.175 2.806
140 2HG1 ILE 22 1HG1 ILE 22 -7.666 -32.271 1.519
141 1HG2 ILE 22 1HG2 ILE 22 -3.914 -30.418 0.702
142 2HG2 ILE 22 3HG2 ILE 22 -4.199 -31.143 2.284
143 3HG2 ILE 22 2HG2 ILE 22 -4.002 -32.172 0.865
144 1HD1 ILE 22 3HD1 ILE 22 -4.973 -33.630 1.240
145 2HD1 ILE 22 2HD1 ILE 22 -6.310 -34.417 2.083
146 3HD1 ILE 22 1HD1 ILE 22 -6.474 -33.979 0.379
147 H GLY 23 H GLY 23 -6.903 -28.240 -0.642
148 1HA GLY 23 2HA GLY 23 -4.404 -27.292 -1.318
149 2HA GLY 23 1HA GLY 23 -5.894 -26.380 -1.552
150 H TYR 24 H TYR 24 -6.715 -25.830 0.952
151 HA TYR 24 HA TYR 24 -4.772 -23.870 1.833
152 1HB TYR 24 2HB TYR 24 -6.527 -22.767 2.779
153 2HB TYR 24 1HB TYR 24 -7.375 -23.654 1.528
154 HD1 TYR 24 HD2 TYR 24 -6.425 -23.787 5.105
155 HD2 TYR 24 HD1 TYR 24 -9.162 -25.060 2.097
156 HE1 TYR 24 HE2 TYR 24 -7.872 -24.775 6.841
157 HE2 TYR 24 HE1 TYR 24 -10.608 -26.050 3.829
158 HH TYR 24 HH TYR 24 -10.252 -25.396 7.122
159 H ALA 25 H ALA 25 -5.831 -27.011 2.750
160 HA ALA 25 HA ALA 25 -5.489 -27.122 5.478
161 1HB ALA 25 2HB ALA 25 -4.634 -29.159 3.404
162 2HB ALA 25 1HB ALA 25 -4.753 -29.486 5.134
163 3HB ALA 25 3HB ALA 25 -6.201 -29.072 4.212
164 H TRP 26 H TRP 26 -3.060 -26.679 3.025
165 HA TRP 26 HA TRP 26 -0.767 -27.415 4.470
166 1HB TRP 26 2HB TRP 26 -1.382 -25.662 2.134
167 2HB TRP 26 1HB TRP 26 0.205 -25.552 2.877
168 HD1 TRP 26 1HD TRP 26 -1.504 -27.376 0.204
169 HE1 TRP 26 1HE TRP 26 -0.233 -29.504 -0.407
170 HE3 TRP 26 3HE TRP 26 1.656 -27.720 4.222
171 HZ2 TRP 26 2HZ TRP 26 1.809 -31.128 0.621
172 HZ3 TRP 26 3HZ TRP 26 3.247 -29.595 4.342
173 HH2 TRP 26 HH2 TRP 26 3.326 -31.286 2.558
174 H ALA 27 H ALA 27 -2.433 -24.298 4.090
175 HA ALA 27 HA ALA 27 -0.718 -22.793 5.773
176 1HB ALA 27 3HB ALA 27 -3.029 -22.318 4.223
177 2HB ALA 27 2HB ALA 27 -3.436 -21.840 5.872
178 3HB ALA 27 1HB ALA 27 -2.038 -21.124 5.066
179 H MET 28 H MET 28 -3.657 -24.667 6.340
180 HA MET 28 HA MET 28 -4.079 -24.005 9.032
181 1HB MET 28 2HB MET 28 -5.400 -25.500 7.206
182 2HB MET 28 1HB MET 28 -4.617 -26.784 8.113
183 1HG MET 28 2HG MET 28 -6.726 -24.842 8.988
184 2HG MET 28 1HG MET 28 -6.643 -26.577 9.180
185 1HE MET 28 1HE MET 28 -7.704 -24.850 11.361
186 2HE MET 28 3HE MET 28 -7.345 -26.500 11.891
187 3HE MET 28 2HE MET 28 -6.789 -25.124 12.844
188 H VAL 29 H VAL 29 -2.171 -26.535 7.469
189 HA VAL 29 HA VAL 29 -1.267 -27.884 9.758
190 HB VAL 29 HB VAL 29 0.093 -27.435 7.099
191 1HG1 VAL 29 3HG1 VAL 29 0.834 -29.055 9.475
192 2HG1 VAL 29 2HG1 VAL 29 1.092 -29.769 7.881
193 3HG1 VAL 29 1HG1 VAL 29 1.861 -28.235 8.298
194 1HG2 VAL 29 3HG2 VAL 29 -2.244 -28.801 7.659
195 2HG2 VAL 29 2HG2 VAL 29 -1.225 -29.021 6.235
196 3HG2 VAL 29 1HG2 VAL 29 -1.017 -30.070 7.640
197 H VAL 30 H VAL 30 0.049 -25.124 7.982
198 HA VAL 30 HA VAL 30 2.383 -24.724 9.492
199 HB VAL 30 HB VAL 30 0.639 -22.789 7.986
200 1HG1 VAL 30 2HG1 VAL 30 2.021 -21.604 9.634
201 2HG1 VAL 30 1HG1 VAL 30 3.462 -22.378 8.970
202 3HG1 VAL 30 3HG1 VAL 30 2.527 -21.256 7.979
203 1HG2 VAL 30 1HG2 VAL 30 2.113 -24.853 7.005
204 2HG2 VAL 30 3HG2 VAL 30 1.721 -23.384 6.108
205 3HG2 VAL 30 2HG2 VAL 30 3.275 -23.527 6.933
206 H VAL 31 H VAL 31 -0.903 -23.484 9.859
207 HA VAL 31 HA VAL 31 -0.485 -21.764 12.026
208 HB VAL 31 HB VAL 31 -2.721 -23.033 10.664
209 1HG1 VAL 31 1HG1 VAL 31 -3.028 -22.540 13.624
210 2HG1 VAL 31 3HG1 VAL 31 -4.376 -22.709 12.496
211 3HG1 VAL 31 2HG1 VAL 31 -3.271 -24.061 12.763
212 1HG2 VAL 31 3HG2 VAL 31 -1.975 -20.621 10.620
213 2HG2 VAL 31 2HG2 VAL 31 -3.702 -20.886 10.868
214 3HG2 VAL 31 1HG2 VAL 31 -2.669 -20.465 12.236
215 H ILE 32 H ILE 32 -1.606 -25.134 12.047
216 HA ILE 32 HA ILE 32 -1.587 -25.583 14.785
217 HB ILE 32 HB ILE 32 -1.176 -27.359 12.407
218 1HG1 ILE 32 2HG1 ILE 32 -3.431 -27.058 14.389
219 2HG1 ILE 32 1HG1 ILE 32 -3.396 -26.427 12.746
220 1HG2 ILE 32 3HG2 ILE 32 -1.007 -28.105 15.307
221 2HG2 ILE 32 2HG2 ILE 32 -1.680 -29.246 14.143
222 3HG2 ILE 32 1HG2 ILE 32 -0.026 -28.663 13.951
223 1HD1 ILE 32 3HD1 ILE 32 -2.795 -29.132 12.457
224 2HD1 ILE 32 2HD1 ILE 32 -4.071 -29.088 13.676
225 3HD1 ILE 32 1HD1 ILE 32 -4.335 -28.352 12.093
226 H VAL 33 H VAL 33 1.068 -25.879 12.434
227 HA VAL 33 HA VAL 33 3.007 -27.040 13.990
228 HB VAL 33 HB VAL 33 3.302 -24.851 11.942
229 1HG1 VAL 33 1HG1 VAL 33 5.244 -26.113 13.630
230 2HG1 VAL 33 3HG1 VAL 33 5.549 -26.526 11.942
231 3HG1 VAL 33 2HG1 VAL 33 5.465 -24.834 12.435
232 1HG2 VAL 33 3HG2 VAL 33 2.460 -27.536 11.703
233 2HG2 VAL 33 2HG2 VAL 33 2.834 -26.394 10.410
234 3HG2 VAL 33 1HG2 VAL 33 4.098 -27.448 11.050
235 H GLY 34 H GLY 34 1.978 -23.666 13.885
236 1HA GLY 34 2HA GLY 34 3.991 -22.589 15.558
237 2HA GLY 34 1HA GLY 34 2.409 -21.871 15.255
238 H ALA 35 H ALA 35 0.827 -24.014 16.215
239 HA ALA 35 HA ALA 35 0.900 -23.455 19.038
240 1HB ALA 35 1HB ALA 35 -0.920 -24.841 17.154
241 2HB ALA 35 3HB ALA 35 -0.976 -25.367 18.837
242 3HB ALA 35 2HB ALA 35 -1.284 -23.677 18.430
243 H THR 36 H THR 36 1.532 -26.253 16.974
244 HA THR 36 HA THR 36 1.927 -28.175 18.984
245 HB THR 36 HB THR 36 3.293 -27.993 16.300
246 HG1 THR 36 HG1 THR 36 0.964 -29.477 16.840
247 1HG2 THR 36 2HG2 THR 36 2.760 -30.315 18.154
248 2HG2 THR 36 1HG2 THR 36 3.328 -30.477 16.490
249 3HG2 THR 36 3HG2 THR 36 4.333 -29.661 17.689
250 H ILE 37 H ILE 37 4.328 -26.206 17.231
251 HA ILE 37 HA ILE 37 6.613 -27.023 18.550
252 HB ILE 37 HB ILE 37 5.845 -24.405 17.340
253 1HG1 ILE 37 2HG1 ILE 37 6.060 -26.659 16.076
254 2HG1 ILE 37 1HG1 ILE 37 6.777 -25.211 15.413
255 1HG2 ILE 37 3HG2 ILE 37 8.499 -25.241 18.476
256 2HG2 ILE 37 2HG2 ILE 37 8.344 -23.988 17.242
257 3HG2 ILE 37 1HG2 ILE 37 7.577 -23.775 18.816
258 1HD1 ILE 37 3HD1 ILE 37 8.477 -26.791 17.223
259 2HD1 ILE 37 2HD1 ILE 37 8.106 -27.527 15.662
260 3HD1 ILE 37 1HD1 ILE 37 8.901 -25.953 15.733
261 H GLY 38 H GLY 38 4.084 -24.855 19.592
262 1HA GLY 38 2HA GLY 38 5.484 -23.662 21.780
263 2HA GLY 38 1HA GLY 38 3.740 -23.654 21.530
264 H ILE 39 H ILE 39 3.128 -26.309 21.528
265 HA ILE 39 HA ILE 39 2.976 -26.944 24.251
266 HB ILE 39 HB ILE 39 2.721 -28.763 21.858
267 1HG1 ILE 39 2HG1 ILE 39 0.675 -27.140 23.381
268 2HG1 ILE 39 1HG1 ILE 39 1.205 -26.875 21.722
269 1HG2 ILE 39 1HG2 ILE 39 1.808 -29.087 24.726
270 2HG2 ILE 39 3HG2 ILE 39 1.291 -30.125 23.396
271 3HG2 ILE 39 2HG2 ILE 39 2.992 -30.080 23.873
272 1HD1 ILE 39 1HD1 ILE 39 0.406 -29.549 21.782
273 2HD1 ILE 39 3HD1 ILE 39 -0.807 -28.700 22.743
274 3HD1 ILE 39 2HD1 ILE 39 -0.488 -28.199 21.080
275 H LYS 40 H LYS 40 5.497 -27.472 21.958
276 HA LYS 40 HA LYS 40 6.767 -29.567 23.539
277 1HB LYS 40 2HB LYS 40 6.937 -28.609 20.824
278 2HB LYS 40 1HB LYS 40 8.540 -28.683 21.556
279 1HG LYS 40 2HG LYS 40 8.005 -31.030 22.292
280 2HG LYS 40 1HG LYS 40 6.515 -30.924 21.357
281 1HD LYS 40 2HD LYS 40 8.123 -32.027 19.982
282 2HD LYS 40 1HD LYS 40 7.933 -30.398 19.340
283 1HE LYS 40 2HE LYS 40 9.952 -29.900 20.989
284 2HE LYS 40 1HE LYS 40 10.246 -31.623 20.768
285 1HZ LYS 40 2HZ LYS 40 9.702 -30.301 18.300
286 2HZ LYS 40 1HZ LYS 40 11.033 -29.612 19.099
287 3HZ LYS 40 3HZ LYS 40 11.028 -31.268 18.739
288 H LEU 41 H LEU 41 7.642 -26.297 22.385
289 HA LEU 41 HA LEU 41 9.984 -26.041 23.887
290 1HB LEU 41 2HB LEU 41 9.607 -23.567 23.685
291 2HB LEU 41 1HB LEU 41 9.548 -24.427 22.147
292 HG LEU 41 HG LEU 41 6.972 -24.497 22.669
293 1HD1 LEU 41 2HD1 LEU 41 7.785 -23.098 24.899
294 2HD1 LEU 41 1HD1 LEU 41 7.234 -21.826 23.807
295 3HD1 LEU 41 3HD1 LEU 41 6.145 -23.142 24.249
296 1HD2 LEU 41 3HD2 LEU 41 8.539 -22.132 21.654
297 2HD2 LEU 41 2HD2 LEU 41 7.810 -23.436 20.716
298 3HD2 LEU 41 1HD2 LEU 41 6.784 -22.248 21.520
299 H PHE 42 H PHE 42 6.670 -25.304 24.721
300 HA PHE 42 HA PHE 42 7.234 -24.200 27.289
301 1HB PHE 42 2HB PHE 42 5.059 -24.278 25.644
302 2HB PHE 42 1HB PHE 42 4.600 -25.424 26.890
303 HD1 PHE 42 HD1 PHE 42 5.901 -21.974 26.395
304 HD2 PHE 42 HD2 PHE 42 3.726 -24.639 28.930
305 HE1 PHE 42 HE1 PHE 42 5.292 -20.088 27.860
306 HE2 PHE 42 HE2 PHE 42 3.120 -22.752 30.390
307 HZ PHE 42 HZ PHE 42 3.903 -20.477 29.858
308 H LYS 43 H LYS 43 6.793 -27.415 26.058
309 HA LYS 43 HA LYS 43 5.896 -29.013 27.910
310 1HB LYS 43 2HB LYS 43 7.086 -29.554 25.728
311 2HB LYS 43 1HB LYS 43 8.583 -29.549 26.650
312 1HG LYS 43 2HG LYS 43 6.319 -31.150 27.652
313 2HG LYS 43 1HG LYS 43 7.180 -31.758 26.252
314 1HD LYS 43 2HD LYS 43 9.149 -32.069 27.431
315 2HD LYS 43 1HD LYS 43 8.741 -30.854 28.638
316 1HE LYS 43 2HE LYS 43 8.439 -32.792 29.858
317 2HE LYS 43 1HE LYS 43 6.810 -32.537 29.239
318 1HZ LYS 43 1HZ LYS 43 8.854 -34.309 28.015
319 2HZ LYS 43 3HZ LYS 43 7.552 -34.827 28.970
320 3HZ LYS 43 2HZ LYS 43 7.262 -34.091 27.466
321 H LYS 44 H LYS 44 9.432 -28.573 27.998
322 HA LYS 44 HA LYS 44 9.558 -29.414 30.713
323 1HB LYS 44 2HB LYS 44 11.560 -28.306 28.776
324 2HB LYS 44 1HB LYS 44 11.992 -28.680 30.445
325 1HG LYS 44 2HG LYS 44 11.231 -31.027 30.110
326 2HG LYS 44 1HG LYS 44 10.759 -30.617 28.458
327 1HD LYS 44 2HD LYS 44 12.841 -31.554 28.078
328 2HD LYS 44 1HD LYS 44 13.262 -29.842 28.190
329 1HE LYS 44 2HE LYS 44 13.626 -32.014 30.284
330 2HE LYS 44 1HE LYS 44 14.870 -31.034 29.515
331 1HZ LYS 44 2HZ LYS 44 13.869 -29.076 30.610
332 2HZ LYS 44 1HZ LYS 44 12.818 -30.115 31.450
333 3HZ LYS 44 3HZ LYS 44 14.492 -30.218 31.701
334 H PHE 45 H PHE 45 9.220 -26.316 29.216
335 HA PHE 45 HA PHE 45 10.337 -24.652 31.165
336 1HB PHE 45 2HB PHE 45 9.551 -23.784 29.041
337 2HB PHE 45 1HB PHE 45 7.888 -24.185 29.459
338 HD1 PHE 45 HD1 PHE 45 10.647 -22.536 31.361
339 HD2 PHE 45 HD2 PHE 45 6.698 -22.233 29.769
340 HE1 PHE 45 HE1 PHE 45 10.390 -20.327 32.419
341 HE2 PHE 45 HE2 PHE 45 6.442 -20.022 30.827
342 HZ PHE 45 HZ PHE 45 8.288 -19.068 32.153
343 H THR 46 H THR 46 7.048 -25.991 30.956
344 HA THR 46 HA THR 46 6.817 -25.868 33.849
345 HB THR 46 HB THR 46 4.575 -24.758 33.671
346 HG1 THR 46 HG1 THR 46 4.431 -23.423 31.689
347 1HG2 THR 46 1HG2 THR 46 6.645 -23.574 34.397
348 2HG2 THR 46 3HG2 THR 46 6.879 -23.051 32.727
349 3HG2 THR 46 2HG2 THR 46 5.457 -22.519 33.628
350 H SER 47 H SER 47 7.063 -28.198 32.899
351 HA SER 47 HA SER 47 4.599 -29.332 31.859
352 1HB SER 47 2HB SER 47 6.286 -30.552 30.947
353 2HB SER 47 1HB SER 47 7.380 -30.237 32.288
354 HG SER 47 HG SER 47 5.790 -32.386 31.828
355 H LYS 48 H LYS 48 6.567 -30.699 34.441
356 HA LYS 48 HA LYS 48 5.905 -31.870 36.323
357 1HB LYS 48 2HB LYS 48 4.689 -29.140 36.696
358 2HB LYS 48 1HB LYS 48 4.939 -30.295 37.997
359 1HG LYS 48 2HG LYS 48 6.776 -28.824 38.134
360 2HG LYS 48 1HG LYS 48 7.431 -30.229 37.310
361 1HD LYS 48 2HD LYS 48 8.016 -28.961 35.576
362 2HD LYS 48 1HD LYS 48 6.338 -28.495 35.335
363 1HE LYS 48 2HE LYS 48 8.511 -27.060 36.815
364 2HE LYS 48 1HE LYS 48 7.363 -26.438 35.636
365 1HZ LYS 48 1HZ LYS 48 5.723 -27.209 37.589
366 2HZ LYS 48 3HZ LYS 48 7.084 -26.763 38.499
367 3HZ LYS 48 2HZ LYS 48 6.358 -25.639 37.452
368 H ALA 49 H ALA 49 4.186 -32.521 34.223
369 HA ALA 49 HA ALA 49 1.439 -32.224 34.880
370 1HB ALA 49 1HB ALA 49 3.042 -33.451 32.846
371 2HB ALA 49 3HB ALA 49 1.804 -34.588 33.385
372 3HB ALA 49 2HB ALA 49 1.336 -32.994 32.787
373 H SER 50 H SER 50 1.662 -32.744 37.213
374 HA SER 50 HA SER 50 1.440 -34.139 39.025
375 1HB SER 50 2HB SER 50 -0.656 -34.682 37.974
376 2HB SER 50 1HB SER 50 0.134 -35.796 36.863
377 HG SER 50 HG SER 50 0.425 -37.221 38.501
No H/Q in entry = 377
Start of MODEL 15
1 1H ALA 1 3H ALA 1 -12.986 -11.824 -23.410
2 2H ALA 1 2H ALA 1 -14.346 -11.430 -22.471
3 3H ALA 1 1H ALA 1 -13.955 -10.500 -23.837
4 HA ALA 1 HA ALA 1 -12.483 -9.265 -22.758
5 1HB ALA 1 1HB ALA 1 -14.154 -10.531 -20.642
6 2HB ALA 1 3HB ALA 1 -12.758 -9.580 -20.129
7 3HB ALA 1 2HB ALA 1 -14.020 -8.835 -21.111
8 H GLU 2 H GLU 2 -10.962 -11.098 -23.746
9 HA GLU 2 HA GLU 2 -8.972 -11.587 -21.673
10 1HB GLU 2 2HB GLU 2 -10.195 -13.657 -21.588
11 2HB GLU 2 1HB GLU 2 -10.208 -13.786 -23.343
12 1HG GLU 2 2HG GLU 2 -8.537 -15.273 -22.145
13 2HG GLU 2 1HG GLU 2 -7.859 -14.254 -23.413
14 H GLY 3 H GLY 3 -8.100 -9.822 -23.008
15 1HA GLY 3 2HA GLY 3 -7.490 -9.767 -25.633
16 2HA GLY 3 1HA GLY 3 -6.432 -9.106 -24.397
17 H ASP 4 H ASP 4 -5.158 -9.945 -26.540
18 HA ASP 4 HA ASP 4 -4.458 -12.571 -26.962
19 1HB ASP 4 2HB ASP 4 -3.577 -10.225 -27.935
20 2HB ASP 4 1HB ASP 4 -2.212 -10.633 -26.891
21 H ASP 5 H ASP 5 -4.363 -13.848 -25.092
22 HA ASP 5 HA ASP 5 -2.160 -13.192 -23.265
23 1HB ASP 5 2HB ASP 5 -3.408 -14.541 -21.577
24 2HB ASP 5 1HB ASP 5 -4.217 -13.068 -22.091
25 HA PRO 6 HA PRO 6 -1.401 -17.436 -25.208
26 1HB PRO 6 2HB PRO 6 0.728 -16.762 -26.763
27 2HB PRO 6 1HB PRO 6 -0.938 -16.802 -27.364
28 1HG PRO 6 2HG PRO 6 0.703 -14.463 -26.517
29 2HG PRO 6 1HG PRO 6 -0.435 -14.609 -27.866
30 1HD PRO 6 2HD PRO 6 -1.057 -13.378 -25.533
31 2HD PRO 6 1HD PRO 6 -2.260 -14.211 -26.540
32 H ALA 7 H ALA 7 0.173 -14.778 -23.736
33 HA ALA 7 HA ALA 7 2.459 -16.304 -22.756
34 1HB ALA 7 1HB ALA 7 1.677 -13.424 -22.875
35 2HB ALA 7 3HB ALA 7 2.709 -13.935 -21.535
36 3HB ALA 7 2HB ALA 7 3.239 -14.187 -23.198
37 H LYS 8 H LYS 8 -0.503 -14.703 -21.651
38 HA LYS 8 HA LYS 8 -1.417 -14.517 -19.503
39 1HB LYS 8 2HB LYS 8 -2.201 -16.805 -18.826
40 2HB LYS 8 1HB LYS 8 -2.630 -16.281 -20.448
41 1HG LYS 8 2HG LYS 8 -1.333 -17.869 -21.446
42 2HG LYS 8 1HG LYS 8 -0.088 -17.770 -20.205
43 1HD LYS 8 2HD LYS 8 -0.934 -19.515 -19.084
44 2HD LYS 8 1HD LYS 8 -2.555 -18.832 -19.117
45 1HE LYS 8 2HE LYS 8 -1.248 -20.703 -21.068
46 2HE LYS 8 1HE LYS 8 -2.816 -20.834 -20.279
47 1HZ LYS 8 1HZ LYS 8 -3.202 -18.626 -21.666
48 2HZ LYS 8 3HZ LYS 8 -2.057 -19.365 -22.676
49 3HZ LYS 8 2HZ LYS 8 -3.504 -20.171 -22.303
50 H ALA 9 H ALA 9 1.173 -14.099 -19.022
51 HA ALA 9 HA ALA 9 2.446 -15.900 -17.247
52 1HB ALA 9 1HB ALA 9 2.738 -12.919 -17.630
53 2HB ALA 9 3HB ALA 9 3.778 -13.876 -16.574
54 3HB ALA 9 2HB ALA 9 3.754 -14.191 -18.311
55 H ALA 10 H ALA 10 1.237 -12.687 -16.336
56 HA ALA 10 HA ALA 10 0.987 -13.185 -13.606
57 1HB ALA 10 2HB ALA 10 0.573 -11.027 -15.266
58 2HB ALA 10 1HB ALA 10 -1.051 -11.371 -14.665
59 3HB ALA 10 3HB ALA 10 0.263 -11.056 -13.528
60 H PHE 11 H PHE 11 -1.140 -13.967 -16.261
61 HA PHE 11 HA PHE 11 -3.454 -14.528 -14.668
62 1HB PHE 11 2HB PHE 11 -3.446 -13.959 -17.125
63 2HB PHE 11 1HB PHE 11 -2.834 -15.577 -17.427
64 HD1 PHE 11 HD1 PHE 11 -4.968 -15.743 -14.638
65 HD2 PHE 11 HD2 PHE 11 -5.069 -15.383 -18.902
66 HE1 PHE 11 HE1 PHE 11 -7.275 -16.597 -14.661
67 HE2 PHE 11 HE2 PHE 11 -7.374 -16.238 -18.912
68 HZ PHE 11 HZ PHE 11 -8.478 -16.845 -16.795
69 H ASN 12 H ASN 12 -0.919 -16.532 -16.163
70 HA ASN 12 HA ASN 12 -1.934 -19.028 -15.283
71 1HB ASN 12 2HB ASN 12 -0.243 -18.740 -17.086
72 2HB ASN 12 1HB ASN 12 0.939 -18.284 -15.859
73 1HD2 ASN 12 2HD2 ASN 12 1.598 -21.541 -14.818
74 2HD2 ASN 12 1HD2 ASN 12 1.892 -19.848 -14.635
75 H SER 13 H SER 13 -0.035 -16.555 -13.760
76 HA SER 13 HA SER 13 1.188 -17.949 -11.679
77 1HB SER 13 2HB SER 13 0.260 -15.374 -10.797
78 2HB SER 13 1HB SER 13 1.896 -15.892 -11.180
79 HG SER 13 HG SER 13 1.722 -14.916 -13.045
80 H LEU 14 H LEU 14 -2.034 -16.442 -11.801
81 HA LEU 14 HA LEU 14 -2.842 -16.888 -9.188
82 1HB LEU 14 2HB LEU 14 -4.148 -15.569 -10.765
83 2HB LEU 14 1HB LEU 14 -4.506 -17.010 -11.705
84 HG LEU 14 HG LEU 14 -5.787 -17.935 -9.931
85 1HD1 LEU 14 3HD1 LEU 14 -4.373 -17.197 -8.051
86 2HD1 LEU 14 2HD1 LEU 14 -5.030 -15.567 -8.222
87 3HD1 LEU 14 1HD1 LEU 14 -6.087 -16.901 -7.758
88 1HD2 LEU 14 2HD2 LEU 14 -6.819 -16.112 -11.363
89 2HD2 LEU 14 1HD2 LEU 14 -7.637 -16.474 -9.844
90 3HD2 LEU 14 3HD2 LEU 14 -6.611 -15.044 -9.972
91 H GLN 15 H GLN 15 -2.376 -19.143 -11.747
92 HA GLN 15 HA GLN 15 -3.967 -21.260 -10.608
93 1HB GLN 15 2HB GLN 15 -3.435 -20.993 -13.061
94 2HB GLN 15 1HB GLN 15 -1.792 -21.497 -12.682
95 1HG GLN 15 2HG GLN 15 -3.034 -23.520 -11.519
96 2HG GLN 15 1HG GLN 15 -4.318 -23.081 -12.646
97 1HE2 GLN 15 2HD2 GLN 15 -2.293 -23.754 -15.558
98 2HE2 GLN 15 1HD2 GLN 15 -3.386 -22.572 -14.932
99 H ALA 16 H ALA 16 -0.741 -20.063 -10.263
100 HA ALA 16 HA ALA 16 0.349 -22.488 -9.129
101 1HB ALA 16 2HB ALA 16 1.333 -19.739 -9.702
102 2HB ALA 16 1HB ALA 16 2.170 -20.667 -8.455
103 3HB ALA 16 3HB ALA 16 2.052 -21.301 -10.097
104 H SER 17 H SER 17 -1.296 -19.658 -7.993
105 HA SER 17 HA SER 17 -0.483 -20.011 -5.227
106 1HB SER 17 2HB SER 17 -1.013 -17.785 -6.387
107 2HB SER 17 1HB SER 17 -2.706 -18.241 -6.217
108 HG SER 17 HG SER 17 -2.473 -18.213 -4.006
109 H ALA 18 H ALA 18 -3.182 -20.840 -7.295
110 HA ALA 18 HA ALA 18 -5.179 -21.373 -5.444
111 1HB ALA 18 3HB ALA 18 -5.240 -21.544 -8.009
112 2HB ALA 18 2HB ALA 18 -4.640 -23.189 -7.782
113 3HB ALA 18 1HB ALA 18 -6.192 -22.713 -7.091
114 H THR 19 H THR 19 -2.320 -23.228 -6.259
115 HA THR 19 HA THR 19 -2.925 -25.683 -5.093
116 HB THR 19 HB THR 19 -0.212 -24.435 -4.920
117 HG1 THR 19 HG1 THR 19 -1.299 -25.651 -7.236
118 1HG2 THR 19 1HG2 THR 19 -1.123 -26.938 -4.277
119 2HG2 THR 19 3HG2 THR 19 -0.534 -27.164 -5.926
120 3HG2 THR 19 2HG2 THR 19 0.548 -26.537 -4.680
121 H GLU 20 H GLU 20 -1.720 -22.711 -3.606
122 HA GLU 20 HA GLU 20 -1.108 -23.696 -1.073
123 1HB GLU 20 2HB GLU 20 -1.818 -21.054 -2.233
124 2HB GLU 20 1HB GLU 20 -1.839 -21.224 -0.490
125 1HG GLU 20 2HG GLU 20 0.481 -22.010 -0.517
126 2HG GLU 20 1HG GLU 20 0.503 -21.892 -2.276
127 H TYR 21 H TYR 21 -4.171 -23.240 -2.594
128 HA TYR 21 HA TYR 21 -5.622 -23.165 -0.060
129 1HB TYR 21 2HB TYR 21 -6.294 -22.723 -2.916
130 2HB TYR 21 1HB TYR 21 -7.575 -23.319 -1.869
131 HD1 TYR 21 HD1 TYR 21 -5.045 -20.618 -2.209
132 HD2 TYR 21 HD2 TYR 21 -8.737 -21.855 -0.462
133 HE1 TYR 21 HE1 TYR 21 -5.422 -18.327 -1.379
134 HE2 TYR 21 HE2 TYR 21 -9.110 -19.563 0.366
135 HH TYR 21 HH TYR 21 -8.430 -17.313 -0.076
136 H ILE 22 H ILE 22 -5.256 -25.284 -2.893
137 HA ILE 22 HA ILE 22 -7.018 -27.300 -2.068
138 HB ILE 22 HB ILE 22 -4.568 -27.297 -3.831
139 1HG1 ILE 22 2HG1 ILE 22 -7.525 -27.358 -4.527
140 2HG1 ILE 22 1HG1 ILE 22 -6.471 -25.929 -4.619
141 1HG2 ILE 22 3HG2 ILE 22 -4.979 -29.552 -2.941
142 2HG2 ILE 22 2HG2 ILE 22 -6.609 -29.504 -3.616
143 3HG2 ILE 22 1HG2 ILE 22 -5.207 -29.447 -4.685
144 1HD1 ILE 22 1HD1 ILE 22 -5.794 -28.476 -6.111
145 2HD1 ILE 22 3HD1 ILE 22 -6.905 -27.289 -6.799
146 3HD1 ILE 22 2HD1 ILE 22 -5.239 -26.832 -6.435
147 H GLY 23 H GLY 23 -3.764 -26.503 -1.146
148 1HA GLY 23 2HA GLY 23 -3.434 -29.040 0.301
149 2HA GLY 23 1HA GLY 23 -2.171 -27.845 0.002
150 H TYR 24 H TYR 24 -5.419 -27.732 1.457
151 HA TYR 24 HA TYR 24 -4.801 -25.741 3.347
152 1HB TYR 24 2HB TYR 24 -7.116 -27.124 2.647
153 2HB TYR 24 1HB TYR 24 -6.829 -27.591 4.317
154 HD1 TYR 24 HD2 TYR 24 -7.281 -24.705 2.050
155 HD2 TYR 24 HD1 TYR 24 -7.225 -26.082 6.090
156 HE1 TYR 24 HE2 TYR 24 -8.218 -22.553 2.800
157 HE2 TYR 24 HE1 TYR 24 -8.160 -23.929 6.835
158 HH TYR 24 HH TYR 24 -8.144 -21.477 5.867
159 H ALA 25 H ALA 25 -4.108 -29.123 3.315
160 HA ALA 25 HA ALA 25 -3.860 -29.586 6.099
161 1HB ALA 25 3HB ALA 25 -2.407 -30.889 3.776
162 2HB ALA 25 2HB ALA 25 -2.441 -31.508 5.429
163 3HB ALA 25 1HB ALA 25 -3.930 -31.432 4.483
164 H TRP 26 H TRP 26 -1.557 -28.474 3.642
165 HA TRP 26 HA TRP 26 0.702 -28.358 5.344
166 1HB TRP 26 2HB TRP 26 -0.050 -27.376 2.655
167 2HB TRP 26 1HB TRP 26 1.232 -26.498 3.473
168 HD1 TRP 26 1HD TRP 26 0.989 -29.100 1.039
169 HE1 TRP 26 1HE TRP 26 2.960 -30.717 1.147
170 HE3 TRP 26 3HE TRP 26 2.865 -27.926 5.661
171 HZ2 TRP 26 2HZ TRP 26 5.029 -31.431 2.897
172 HZ3 TRP 26 3HZ TRP 26 4.849 -29.123 6.490
173 HH2 TRP 26 HH2 TRP 26 5.924 -30.861 5.123
174 H ALA 27 H ALA 27 -1.886 -26.119 4.544
175 HA ALA 27 HA ALA 27 -0.746 -23.856 5.893
176 1HB ALA 27 1HB ALA 27 -2.975 -24.357 4.220
177 2HB ALA 27 3HB ALA 27 -3.606 -23.703 5.732
178 3HB ALA 27 2HB ALA 27 -2.398 -22.800 4.817
179 H MET 28 H MET 28 -3.235 -26.266 6.682
180 HA MET 28 HA MET 28 -3.984 -25.317 9.194
181 1HB MET 28 2HB MET 28 -4.591 -27.519 7.622
182 2HB MET 28 1HB MET 28 -3.776 -28.239 8.995
183 1HG MET 28 2HG MET 28 -6.361 -26.719 8.893
184 2HG MET 28 1HG MET 28 -5.997 -28.262 9.630
185 1HE MET 28 1HE MET 28 -7.797 -26.536 11.120
186 2HE MET 28 3HE MET 28 -7.151 -25.438 12.349
187 3HE MET 28 2HE MET 28 -7.212 -24.939 10.658
188 H VAL 29 H VAL 29 -1.291 -27.333 8.173
189 HA VAL 29 HA VAL 29 -0.298 -27.964 10.757
190 HB VAL 29 HB VAL 29 1.116 -27.773 8.097
191 1HG1 VAL 29 1HG1 VAL 29 2.529 -27.734 10.248
192 2HG1 VAL 29 3HG1 VAL 29 2.024 -29.414 10.439
193 3HG1 VAL 29 2HG1 VAL 29 2.931 -28.922 9.007
194 1HG2 VAL 29 1HG2 VAL 29 -0.886 -29.508 8.860
195 2HG2 VAL 29 3HG2 VAL 29 0.285 -29.781 7.569
196 3HG2 VAL 29 2HG2 VAL 29 0.589 -30.422 9.185
197 H VAL 30 H VAL 30 0.446 -25.429 8.404
198 HA VAL 30 HA VAL 30 2.484 -24.134 9.863
199 HB VAL 30 HB VAL 30 0.539 -23.048 7.841
200 1HG1 VAL 30 1HG1 VAL 30 3.126 -21.902 8.883
201 2HG1 VAL 30 3HG1 VAL 30 2.267 -21.303 7.462
202 3HG1 VAL 30 2HG1 VAL 30 1.509 -21.214 9.055
203 1HG2 VAL 30 1HG2 VAL 30 2.334 -25.004 7.412
204 2HG2 VAL 30 3HG2 VAL 30 1.873 -23.822 6.186
205 3HG2 VAL 30 2HG2 VAL 30 3.350 -23.589 7.125
206 H VAL 31 H VAL 31 -1.004 -23.874 9.872
207 HA VAL 31 HA VAL 31 -1.210 -21.549 11.485
208 HB VAL 31 HB VAL 31 -2.960 -23.608 10.371
209 1HG1 VAL 31 2HG1 VAL 31 -3.797 -22.338 12.979
210 2HG1 VAL 31 1HG1 VAL 31 -4.859 -23.229 11.886
211 3HG1 VAL 31 3HG1 VAL 31 -3.523 -24.058 12.691
212 1HG2 VAL 31 3HG2 VAL 31 -2.616 -20.820 10.272
213 2HG2 VAL 31 2HG2 VAL 31 -3.778 -21.798 9.374
214 3HG2 VAL 31 1HG2 VAL 31 -4.231 -21.095 10.929
215 H ILE 32 H ILE 32 -1.569 -24.996 12.260
216 HA ILE 32 HA ILE 32 -1.789 -24.726 15.037
217 HB ILE 32 HB ILE 32 -0.915 -26.947 13.226
218 1HG1 ILE 32 2HG1 ILE 32 -3.375 -26.482 14.910
219 2HG1 ILE 32 1HG1 ILE 32 -3.256 -26.366 13.156
220 1HG2 ILE 32 3HG2 ILE 32 -0.482 -26.786 16.091
221 2HG2 ILE 32 2HG2 ILE 32 -1.550 -28.127 15.674
222 3HG2 ILE 32 1HG2 ILE 32 0.052 -28.014 14.943
223 1HD1 ILE 32 2HD1 ILE 32 -2.282 -28.929 14.040
224 2HD1 ILE 32 1HD1 ILE 32 -3.907 -28.643 14.668
225 3HD1 ILE 32 3HD1 ILE 32 -3.607 -28.563 12.931
226 H VAL 33 H VAL 33 1.049 -24.790 12.939
227 HA VAL 33 HA VAL 33 3.053 -25.403 14.712
228 HB VAL 33 HB VAL 33 2.957 -23.475 12.409
229 1HG1 VAL 33 1HG1 VAL 33 5.397 -24.349 13.956
230 2HG1 VAL 33 3HG1 VAL 33 5.412 -23.451 12.437
231 3HG1 VAL 33 2HG1 VAL 33 4.734 -22.716 13.891
232 1HG2 VAL 33 3HG2 VAL 33 3.020 -26.252 12.569
233 2HG2 VAL 33 2HG2 VAL 33 3.352 -25.269 11.143
234 3HG2 VAL 33 1HG2 VAL 33 4.678 -25.790 12.181
235 H GLY 34 H GLY 34 1.472 -22.270 14.194
236 1HA GLY 34 2HA GLY 34 2.994 -20.632 15.826
237 2HA GLY 34 1HA GLY 34 1.257 -20.437 15.578
238 H ALA 35 H ALA 35 0.364 -22.825 16.724
239 HA ALA 35 HA ALA 35 0.613 -22.173 19.550
240 1HB ALA 35 2HB ALA 35 -1.349 -23.432 17.850
241 2HB ALA 35 1HB ALA 35 -0.988 -24.462 19.238
242 3HB ALA 35 3HB ALA 35 -1.534 -22.802 19.488
243 H THR 36 H THR 36 1.519 -24.716 17.309
244 HA THR 36 HA THR 36 2.236 -26.740 19.090
245 HB THR 36 HB THR 36 3.804 -26.082 16.611
246 HG1 THR 36 HG1 THR 36 1.348 -27.499 16.691
247 1HG2 THR 36 1HG2 THR 36 4.048 -28.132 18.395
248 2HG2 THR 36 3HG2 THR 36 2.964 -28.835 17.192
249 3HG2 THR 36 2HG2 THR 36 4.540 -28.207 16.701
250 H ILE 37 H ILE 37 3.925 -23.823 18.117
251 HA ILE 37 HA ILE 37 6.477 -24.310 19.058
252 HB ILE 37 HB ILE 37 4.842 -21.809 18.981
253 1HG1 ILE 37 2HG1 ILE 37 5.603 -23.231 16.929
254 2HG1 ILE 37 1HG1 ILE 37 5.705 -21.487 16.902
255 1HG2 ILE 37 1HG2 ILE 37 7.742 -22.144 19.711
256 2HG2 ILE 37 3HG2 ILE 37 7.067 -20.620 19.129
257 3HG2 ILE 37 2HG2 ILE 37 6.476 -21.331 20.633
258 1HD1 ILE 37 2HD1 ILE 37 8.080 -21.643 17.558
259 2HD1 ILE 37 1HD1 ILE 37 7.949 -23.401 17.493
260 3HD1 ILE 37 3HD1 ILE 37 7.751 -22.447 16.022
261 H GLY 38 H GLY 38 3.800 -22.756 20.821
262 1HA GLY 38 2HA GLY 38 5.101 -22.700 23.345
263 2HA GLY 38 1HA GLY 38 3.371 -22.497 23.061
264 H ILE 39 H ILE 39 2.458 -24.778 22.138
265 HA ILE 39 HA ILE 39 2.267 -26.490 24.319
266 HB ILE 39 HB ILE 39 1.883 -27.109 21.390
267 1HG1 ILE 39 2HG1 ILE 39 -0.302 -26.561 23.368
268 2HG1 ILE 39 1HG1 ILE 39 0.554 -25.223 22.605
269 1HG2 ILE 39 2HG2 ILE 39 0.945 -28.594 23.857
270 2HG2 ILE 39 1HG2 ILE 39 0.392 -28.929 22.215
271 3HG2 ILE 39 3HG2 ILE 39 2.086 -29.181 22.646
272 1HD1 ILE 39 1HD1 ILE 39 -0.020 -26.145 20.383
273 2HD1 ILE 39 3HD1 ILE 39 -0.912 -27.449 21.169
274 3HD1 ILE 39 2HD1 ILE 39 -1.461 -25.780 21.335
275 H LYS 40 H LYS 40 4.727 -26.260 21.898
276 HA LYS 40 HA LYS 40 5.827 -28.895 22.453
277 1HB LYS 40 2HB LYS 40 5.932 -28.034 20.179
278 2HB LYS 40 1HB LYS 40 6.828 -26.622 20.732
279 1HG LYS 40 2HG LYS 40 8.553 -28.307 21.631
280 2HG LYS 40 1HG LYS 40 7.730 -29.492 20.620
281 1HD LYS 40 2HD LYS 40 9.032 -28.801 18.933
282 2HD LYS 40 1HD LYS 40 8.105 -27.304 18.941
283 1HE LYS 40 2HE LYS 40 9.770 -26.636 20.861
284 2HE LYS 40 1HE LYS 40 10.783 -27.883 20.142
285 1HZ LYS 40 2HZ LYS 40 10.364 -26.684 17.969
286 2HZ LYS 40 1HZ LYS 40 9.782 -25.394 18.907
287 3HZ LYS 40 3HZ LYS 40 11.387 -25.913 19.085
288 H LEU 41 H LEU 41 7.039 -25.543 22.668
289 HA LEU 41 HA LEU 41 9.339 -26.121 24.148
290 1HB LEU 41 2HB LEU 41 9.274 -23.719 24.812
291 2HB LEU 41 1HB LEU 41 9.094 -23.960 23.073
292 HG LEU 41 HG LEU 41 6.525 -23.951 23.727
293 1HD1 LEU 41 2HD1 LEU 41 7.522 -23.490 26.209
294 2HD1 LEU 41 1HD1 LEU 41 7.281 -21.840 25.634
295 3HD1 LEU 41 3HD1 LEU 41 5.926 -22.969 25.670
296 1HD2 LEU 41 2HD2 LEU 41 8.369 -21.611 23.308
297 2HD2 LEU 41 1HD2 LEU 41 7.336 -22.423 22.130
298 3HD2 LEU 41 3HD2 LEU 41 6.616 -21.413 23.387
299 H PHE 42 H PHE 42 6.115 -25.266 25.239
300 HA PHE 42 HA PHE 42 6.688 -25.175 28.005
301 1HB PHE 42 2HB PHE 42 4.549 -24.540 26.486
302 2HB PHE 42 1HB PHE 42 3.999 -26.055 27.181
303 HD1 PHE 42 HD1 PHE 42 4.397 -26.289 29.779
304 HD2 PHE 42 HD2 PHE 42 4.179 -22.572 27.680
305 HE1 PHE 42 HE1 PHE 42 3.829 -25.131 31.879
306 HE2 PHE 42 HE2 PHE 42 3.612 -21.422 29.780
307 HZ PHE 42 HZ PHE 42 3.437 -22.699 31.879
308 H LYS 43 H LYS 43 6.273 -27.822 25.831
309 HA LYS 43 HA LYS 43 5.758 -29.708 28.006
310 1HB LYS 43 2HB LYS 43 4.384 -30.409 26.341
311 2HB LYS 43 1HB LYS 43 5.350 -29.644 25.091
312 1HG LYS 43 2HG LYS 43 6.696 -31.459 24.822
313 2HG LYS 43 1HG LYS 43 6.447 -32.052 26.458
314 1HD LYS 43 2HD LYS 43 5.255 -33.564 25.095
315 2HD LYS 43 1HD LYS 43 4.031 -32.486 25.766
316 1HE LYS 43 2HE LYS 43 4.910 -31.258 23.396
317 2HE LYS 43 1HE LYS 43 4.723 -32.965 23.004
318 1HZ LYS 43 2HZ LYS 43 2.637 -31.426 24.430
319 2HZ LYS 43 1HZ LYS 43 2.700 -31.517 22.734
320 3HZ LYS 43 3HZ LYS 43 2.486 -32.928 23.652
321 H LYS 44 H LYS 44 8.019 -29.384 25.268
322 HA LYS 44 HA LYS 44 9.825 -31.355 26.163
323 1HB LYS 44 2HB LYS 44 10.466 -28.972 24.432
324 2HB LYS 44 1HB LYS 44 11.340 -30.500 24.506
325 1HG LYS 44 2HG LYS 44 8.416 -30.517 23.770
326 2HG LYS 44 1HG LYS 44 9.615 -30.060 22.563
327 1HD LYS 44 2HD LYS 44 9.524 -32.332 22.179
328 2HD LYS 44 1HD LYS 44 10.863 -32.257 23.321
329 1HE LYS 44 2HE LYS 44 8.992 -32.673 25.121
330 2HE LYS 44 1HE LYS 44 8.046 -33.237 23.746
331 1HZ LYS 44 2HZ LYS 44 10.738 -34.272 23.891
332 2HZ LYS 44 1HZ LYS 44 9.719 -34.756 25.162
333 3HZ LYS 44 3HZ LYS 44 9.276 -35.070 23.555
334 H PHE 45 H PHE 45 9.245 -28.216 27.348
335 HA PHE 45 HA PHE 45 11.938 -27.927 28.458
336 1HB PHE 45 2HB PHE 45 10.707 -25.974 27.490
337 2HB PHE 45 1HB PHE 45 9.548 -26.117 28.807
338 HD1 PHE 45 HD1 PHE 45 13.278 -26.175 28.493
339 HD2 PHE 45 HD2 PHE 45 9.855 -24.547 30.459
340 HE1 PHE 45 HE1 PHE 45 14.749 -24.807 29.923
341 HE2 PHE 45 HE2 PHE 45 11.327 -23.179 31.887
342 HZ PHE 45 HZ PHE 45 13.774 -23.310 31.620
343 H THR 46 H THR 46 10.726 -30.173 29.404
344 HA THR 46 HA THR 46 10.445 -29.533 32.233
345 HB THR 46 HB THR 46 8.465 -30.944 32.480
346 HG1 THR 46 HG1 THR 46 8.421 -31.001 29.641
347 1HG2 THR 46 3HG2 THR 46 8.104 -28.746 30.439
348 2HG2 THR 46 2HG2 THR 46 6.823 -29.446 31.430
349 3HG2 THR 46 1HG2 THR 46 8.135 -28.543 32.191
350 H SER 47 H SER 47 12.688 -30.498 31.578
351 HA SER 47 HA SER 47 14.168 -32.221 32.073
352 1HB SER 47 2HB SER 47 11.819 -32.940 33.460
353 2HB SER 47 1HB SER 47 12.358 -34.385 32.613
354 HG SER 47 HG SER 47 13.466 -34.325 34.544
355 H LYS 48 H LYS 48 11.254 -33.713 30.659
356 HA LYS 48 HA LYS 48 12.227 -35.712 29.216
357 1HB LYS 48 2HB LYS 48 10.184 -33.743 28.198
358 2HB LYS 48 1HB LYS 48 10.436 -35.364 27.563
359 1HG LYS 48 2HG LYS 48 9.633 -34.764 30.420
360 2HG LYS 48 1HG LYS 48 8.504 -35.170 29.139
361 1HD LYS 48 2HD LYS 48 10.140 -37.251 28.872
362 2HD LYS 48 1HD LYS 48 10.470 -36.886 30.564
363 1HE LYS 48 2HE LYS 48 8.015 -37.957 29.295
364 2HE LYS 48 1HE LYS 48 8.704 -38.291 30.879
365 1HZ LYS 48 2HZ LYS 48 7.980 -35.838 31.320
366 2HZ LYS 48 1HZ LYS 48 6.893 -36.142 30.051
367 3HZ LYS 48 3HZ LYS 48 6.860 -37.107 31.446
368 H ALA 49 H ALA 49 12.760 -35.994 26.919
369 HA ALA 49 HA ALA 49 15.004 -34.614 26.103
370 1HB ALA 49 2HB ALA 49 13.361 -36.682 25.118
371 2HB ALA 49 1HB ALA 49 13.552 -35.519 23.802
372 3HB ALA 49 3HB ALA 49 14.977 -36.231 24.564
373 H SER 50 H SER 50 15.394 -33.032 24.519
374 HA SER 50 HA SER 50 13.120 -31.208 24.034
375 1HB SER 50 2HB SER 50 14.913 -30.290 25.471
376 2HB SER 50 1HB SER 50 16.069 -30.560 24.171
377 HG SER 50 HG SER 50 13.931 -28.719 24.327
No H/Q in entry = 377
Start of MODEL 16
1 1H ALA 1 1H ALA 1 -29.595 -37.464 -20.491
2 2H ALA 1 3H ALA 1 -30.706 -38.442 -19.664
3 3H ALA 1 2H ALA 1 -30.346 -36.888 -19.079
4 HA ALA 1 HA ALA 1 -29.094 -38.170 -17.688
5 1HB ALA 1 2HB ALA 1 -28.645 -39.941 -20.088
6 2HB ALA 1 1HB ALA 1 -27.731 -40.116 -18.589
7 3HB ALA 1 3HB ALA 1 -29.482 -40.336 -18.584
8 H GLU 2 H GLU 2 -26.567 -38.761 -17.776
9 HA GLU 2 HA GLU 2 -24.470 -37.902 -17.876
10 1HB GLU 2 2HB GLU 2 -23.557 -37.583 -19.970
11 2HB GLU 2 1HB GLU 2 -24.968 -38.562 -20.334
12 1HG GLU 2 2HG GLU 2 -25.687 -35.769 -20.454
13 2HG GLU 2 1HG GLU 2 -24.262 -36.063 -21.441
14 H GLY 3 H GLY 3 -23.378 -36.093 -17.299
15 1HA GLY 3 2HA GLY 3 -24.651 -33.962 -16.217
16 2HA GLY 3 1HA GLY 3 -22.969 -33.924 -16.720
17 H ASP 4 H ASP 4 -24.066 -31.587 -16.902
18 HA ASP 4 HA ASP 4 -25.635 -30.840 -19.080
19 1HB ASP 4 2HB ASP 4 -23.859 -29.554 -17.190
20 2HB ASP 4 1HB ASP 4 -23.703 -28.829 -18.793
21 H ASP 5 H ASP 5 -22.175 -30.267 -18.909
22 HA ASP 5 HA ASP 5 -21.581 -31.496 -21.408
23 1HB ASP 5 2HB ASP 5 -22.638 -29.359 -22.119
24 2HB ASP 5 1HB ASP 5 -21.413 -28.489 -21.194
25 HA PRO 6 HA PRO 6 -17.854 -31.786 -18.977
26 1HB PRO 6 2HB PRO 6 -16.225 -32.677 -20.986
27 2HB PRO 6 1HB PRO 6 -17.349 -33.709 -20.083
28 1HG PRO 6 2HG PRO 6 -17.713 -32.411 -22.755
29 2HG PRO 6 1HG PRO 6 -18.121 -34.063 -22.245
30 1HD PRO 6 2HD PRO 6 -20.020 -32.171 -22.397
31 2HD PRO 6 1HD PRO 6 -20.039 -33.371 -21.088
32 H ALA 7 H ALA 7 -18.372 -29.811 -21.736
33 HA ALA 7 HA ALA 7 -15.916 -28.471 -21.984
34 1HB ALA 7 1HB ALA 7 -18.765 -27.529 -22.395
35 2HB ALA 7 3HB ALA 7 -17.336 -26.615 -22.892
36 3HB ALA 7 2HB ALA 7 -17.678 -28.184 -23.626
37 H LYS 8 H LYS 8 -18.568 -28.240 -19.739
38 HA LYS 8 HA LYS 8 -17.929 -25.763 -18.531
39 1HB LYS 8 2HB LYS 8 -19.525 -26.365 -16.873
40 2HB LYS 8 1HB LYS 8 -20.115 -27.030 -18.394
41 1HG LYS 8 2HG LYS 8 -20.360 -28.925 -17.177
42 2HG LYS 8 1HG LYS 8 -18.637 -29.115 -17.494
43 1HD LYS 8 2HD LYS 8 -18.080 -28.754 -15.335
44 2HD LYS 8 1HD LYS 8 -19.202 -27.408 -15.179
45 1HE LYS 8 2HE LYS 8 -19.689 -30.338 -14.718
46 2HE LYS 8 1HE LYS 8 -20.049 -28.972 -13.670
47 1HZ LYS 8 3HZ LYS 8 -21.640 -28.324 -15.591
48 2HZ LYS 8 2HZ LYS 8 -21.531 -29.969 -16.000
49 3HZ LYS 8 1HZ LYS 8 -22.106 -29.507 -14.469
50 H ALA 9 H ALA 9 -16.706 -28.987 -18.161
51 HA ALA 9 HA ALA 9 -15.667 -29.155 -15.662
52 1HB ALA 9 2HB ALA 9 -15.376 -30.865 -17.412
53 2HB ALA 9 1HB ALA 9 -14.168 -29.843 -18.195
54 3HB ALA 9 3HB ALA 9 -13.858 -30.503 -16.587
55 H ALA 10 H ALA 10 -13.543 -28.014 -18.281
56 HA ALA 10 HA ALA 10 -11.531 -26.909 -16.793
57 1HB ALA 10 2HB ALA 10 -12.698 -26.094 -19.444
58 2HB ALA 10 1HB ALA 10 -11.305 -25.257 -18.753
59 3HB ALA 10 3HB ALA 10 -11.207 -26.981 -19.118
60 H PHE 11 H PHE 11 -14.535 -25.272 -17.791
61 HA PHE 11 HA PHE 11 -13.934 -22.765 -16.655
62 1HB PHE 11 2HB PHE 11 -15.792 -23.319 -18.287
63 2HB PHE 11 1HB PHE 11 -16.695 -23.944 -16.916
64 HD1 PHE 11 HD1 PHE 11 -14.744 -21.274 -15.734
65 HD2 PHE 11 HD2 PHE 11 -18.266 -22.070 -18.039
66 HE1 PHE 11 HE1 PHE 11 -15.576 -19.008 -15.261
67 HE2 PHE 11 HE2 PHE 11 -19.083 -19.802 -17.557
68 HZ PHE 11 HZ PHE 11 -17.743 -18.271 -16.170
69 H ASN 12 H ASN 12 -15.678 -25.577 -15.356
70 HA ASN 12 HA ASN 12 -16.247 -24.411 -12.825
71 1HB ASN 12 2HB ASN 12 -17.148 -26.605 -14.058
72 2HB ASN 12 1HB ASN 12 -15.910 -27.355 -13.050
73 1HD2 ASN 12 2HD2 ASN 12 -17.582 -26.822 -10.013
74 2HD2 ASN 12 1HD2 ASN 12 -16.096 -27.231 -10.794
75 H SER 13 H SER 13 -13.522 -26.178 -14.145
76 HA SER 13 HA SER 13 -12.164 -26.956 -11.864
77 1HB SER 13 2HB SER 13 -10.614 -25.759 -14.103
78 2HB SER 13 1HB SER 13 -10.341 -27.258 -13.230
79 HG SER 13 HG SER 13 -11.166 -27.951 -15.117
80 H LEU 14 H LEU 14 -12.188 -23.796 -13.479
81 HA LEU 14 HA LEU 14 -10.242 -22.509 -11.953
82 1HB LEU 14 2HB LEU 14 -11.616 -21.676 -14.011
83 2HB LEU 14 1HB LEU 14 -12.728 -21.065 -12.795
84 HG LEU 14 HG LEU 14 -10.958 -19.775 -11.785
85 1HD1 LEU 14 3HD1 LEU 14 -9.240 -21.516 -13.279
86 2HD1 LEU 14 2HD1 LEU 14 -8.867 -19.835 -13.662
87 3HD1 LEU 14 1HD1 LEU 14 -8.830 -20.387 -11.987
88 1HD2 LEU 14 3HD2 LEU 14 -12.237 -18.817 -13.707
89 2HD2 LEU 14 2HD2 LEU 14 -10.647 -18.097 -13.459
90 3HD2 LEU 14 1HD2 LEU 14 -10.889 -19.269 -14.754
91 H GLN 15 H GLN 15 -13.456 -23.467 -11.149
92 HA GLN 15 HA GLN 15 -13.731 -21.773 -8.838
93 1HB GLN 15 2HB GLN 15 -15.663 -22.696 -10.129
94 2HB GLN 15 1HB GLN 15 -15.239 -24.299 -9.535
95 1HG GLN 15 2HG GLN 15 -16.694 -23.800 -7.874
96 2HG GLN 15 1HG GLN 15 -15.334 -22.901 -7.201
97 1HE2 GLN 15 2HD2 GLN 15 -16.586 -19.710 -8.265
98 2HE2 GLN 15 1HD2 GLN 15 -15.125 -20.620 -8.108
99 H ALA 16 H ALA 16 -12.389 -24.889 -9.570
100 HA ALA 16 HA ALA 16 -12.368 -26.094 -7.046
101 1HB ALA 16 3HB ALA 16 -11.550 -26.856 -9.490
102 2HB ALA 16 2HB ALA 16 -9.986 -26.453 -8.778
103 3HB ALA 16 1HB ALA 16 -11.020 -27.662 -8.012
104 H SER 17 H SER 17 -10.451 -23.528 -8.392
105 HA SER 17 HA SER 17 -8.302 -23.607 -6.521
106 1HB SER 17 2HB SER 17 -8.831 -22.231 -8.843
107 2HB SER 17 1HB SER 17 -8.969 -20.975 -7.617
108 HG SER 17 HG SER 17 -6.783 -22.788 -7.684
109 H ALA 18 H ALA 18 -11.501 -22.229 -6.520
110 HA ALA 18 HA ALA 18 -11.130 -20.410 -4.356
111 1HB ALA 18 3HB ALA 18 -12.992 -20.310 -6.033
112 2HB ALA 18 2HB ALA 18 -13.704 -21.719 -5.244
113 3HB ALA 18 1HB ALA 18 -13.525 -20.205 -4.354
114 H THR 19 H THR 19 -12.190 -23.765 -4.605
115 HA THR 19 HA THR 19 -13.143 -24.242 -2.059
116 HB THR 19 HB THR 19 -11.397 -26.356 -3.093
117 HG1 THR 19 HG1 THR 19 -12.139 -26.416 -5.073
118 1HG2 THR 19 1HG2 THR 19 -13.255 -26.618 -1.417
119 2HG2 THR 19 3HG2 THR 19 -14.392 -26.297 -2.730
120 3HG2 THR 19 2HG2 THR 19 -13.340 -27.713 -2.798
121 H GLU 20 H GLU 20 -9.805 -24.020 -3.160
122 HA GLU 20 HA GLU 20 -8.478 -25.015 -0.929
123 1HB GLU 20 2HB GLU 20 -7.846 -23.175 -3.169
124 2HB GLU 20 1HB GLU 20 -6.773 -23.146 -1.786
125 1HG GLU 20 2HG GLU 20 -6.108 -24.728 -3.638
126 2HG GLU 20 1HG GLU 20 -6.229 -25.464 -2.043
127 H TYR 21 H TYR 21 -10.306 -22.122 -1.270
128 HA TYR 21 HA TYR 21 -8.963 -20.758 0.929
129 1HB TYR 21 2HB TYR 21 -11.030 -20.053 -1.081
130 2HB TYR 21 1HB TYR 21 -11.083 -19.206 0.458
131 HD1 TYR 21 HD2 TYR 21 -9.282 -17.713 1.121
132 HD2 TYR 21 HD1 TYR 21 -9.191 -19.759 -2.623
133 HE1 TYR 21 HE2 TYR 21 -7.491 -16.209 0.339
134 HE2 TYR 21 HE1 TYR 21 -7.401 -18.254 -3.402
135 HH TYR 21 HH TYR 21 -6.336 -15.504 -1.480
136 H ILE 22 H ILE 22 -11.991 -22.447 0.271
137 HA ILE 22 HA ILE 22 -13.166 -21.837 2.808
138 HB ILE 22 HB ILE 22 -13.799 -23.804 0.608
139 1HG1 ILE 22 2HG1 ILE 22 -15.187 -21.237 1.450
140 2HG1 ILE 22 1HG1 ILE 22 -14.116 -21.424 0.041
141 1HG2 ILE 22 3HG2 ILE 22 -14.586 -24.661 2.772
142 2HG2 ILE 22 2HG2 ILE 22 -15.524 -23.183 2.999
143 3HG2 ILE 22 1HG2 ILE 22 -15.902 -24.274 1.666
144 1HD1 ILE 22 2HD1 ILE 22 -16.612 -23.107 0.422
145 2HD1 ILE 22 1HD1 ILE 22 -16.649 -21.546 -0.401
146 3HD1 ILE 22 3HD1 ILE 22 -15.678 -22.868 -1.057
147 H GLY 23 H GLY 23 -10.977 -24.223 1.591
148 1HA GLY 23 2HA GLY 23 -11.149 -25.682 4.155
149 2HA GLY 23 1HA GLY 23 -10.832 -26.491 2.620
150 H TYR 24 H TYR 24 -9.568 -23.851 4.640
151 HA TYR 24 HA TYR 24 -6.879 -24.327 3.603
152 1HB TYR 24 2HB TYR 24 -6.399 -22.302 5.135
153 2HB TYR 24 1HB TYR 24 -7.247 -22.055 3.618
154 HD1 TYR 24 HD1 TYR 24 -8.434 -23.319 6.908
155 HD2 TYR 24 HD2 TYR 24 -8.694 -20.279 3.939
156 HE1 TYR 24 HE1 TYR 24 -10.291 -22.277 8.147
157 HE2 TYR 24 HE2 TYR 24 -10.554 -19.231 5.173
158 HH TYR 24 HH TYR 24 -11.221 -19.467 8.047
159 H ALA 25 H ALA 25 -8.288 -26.187 5.442
160 HA ALA 25 HA ALA 25 -7.265 -26.018 8.057
161 1HB ALA 25 2HB ALA 25 -7.963 -28.484 6.435
162 2HB ALA 25 1HB ALA 25 -7.731 -28.447 8.184
163 3HB ALA 25 3HB ALA 25 -9.076 -27.565 7.454
164 H TRP 26 H TRP 26 -5.902 -27.319 5.083
165 HA TRP 26 HA TRP 26 -3.676 -28.638 6.216
166 1HB TRP 26 2HB TRP 26 -4.590 -27.848 3.555
167 2HB TRP 26 1HB TRP 26 -2.842 -27.774 3.736
168 HD1 TRP 26 1HD TRP 26 -5.264 -30.110 2.527
169 HE1 TRP 26 1HE TRP 26 -4.500 -32.531 2.819
170 HE3 TRP 26 3HE TRP 26 -1.471 -29.452 5.906
171 HZ2 TRP 26 2HZ TRP 26 -2.585 -33.995 4.253
172 HZ3 TRP 26 3HZ TRP 26 -0.211 -31.413 6.697
173 HH2 TRP 26 HH2 TRP 26 -0.761 -33.666 5.880
174 H ALA 27 H ALA 27 -4.041 -25.375 4.842
175 HA ALA 27 HA ALA 27 -1.384 -24.525 5.302
176 1HB ALA 27 3HB ALA 27 -3.707 -23.435 4.178
177 2HB ALA 27 2HB ALA 27 -3.298 -22.365 5.521
178 3HB ALA 27 1HB ALA 27 -2.112 -22.685 4.255
179 H MET 28 H MET 28 -4.252 -24.589 7.346
180 HA MET 28 HA MET 28 -3.223 -22.935 9.409
181 1HB MET 28 2HB MET 28 -5.647 -23.509 9.067
182 2HB MET 28 1HB MET 28 -5.285 -25.147 9.598
183 1HG MET 28 2HG MET 28 -6.270 -23.542 11.320
184 2HG MET 28 1HG MET 28 -4.870 -24.481 11.792
185 1HE MET 28 2HE MET 28 -6.638 -21.536 11.954
186 2HE MET 28 1HE MET 28 -5.696 -21.456 13.442
187 3HE MET 28 3HE MET 28 -5.543 -20.181 12.225
188 H VAL 29 H VAL 29 -3.088 -26.345 8.631
189 HA VAL 29 HA VAL 29 -1.952 -27.274 11.067
190 HB VAL 29 HB VAL 29 -1.821 -28.385 8.263
191 1HG1 VAL 29 2HG1 VAL 29 -0.014 -29.239 9.727
192 2HG1 VAL 29 1HG1 VAL 29 -1.239 -29.788 10.872
193 3HG1 VAL 29 3HG1 VAL 29 -1.167 -30.490 9.255
194 1HG2 VAL 29 3HG2 VAL 29 -3.928 -28.247 10.191
195 2HG2 VAL 29 2HG2 VAL 29 -3.946 -28.970 8.582
196 3HG2 VAL 29 1HG2 VAL 29 -3.453 -29.933 9.976
197 H VAL 30 H VAL 30 -0.607 -26.248 7.960
198 HA VAL 30 HA VAL 30 2.112 -26.684 8.522
199 HB VAL 30 HB VAL 30 0.740 -24.673 6.752
200 1HG1 VAL 30 2HG1 VAL 30 3.034 -23.947 7.352
201 2HG1 VAL 30 1HG1 VAL 30 3.649 -25.468 6.698
202 3HG1 VAL 30 3HG1 VAL 30 2.843 -24.312 5.635
203 1HG2 VAL 30 2HG2 VAL 30 1.953 -27.381 6.239
204 2HG2 VAL 30 1HG2 VAL 30 0.268 -26.895 6.039
205 3HG2 VAL 30 3HG2 VAL 30 1.505 -26.255 4.957
206 H VAL 31 H VAL 31 -0.104 -24.128 9.331
207 HA VAL 31 HA VAL 31 1.811 -22.244 10.282
208 HB VAL 31 HB VAL 31 -1.004 -22.421 9.919
209 1HG1 VAL 31 2HG1 VAL 31 -0.254 -21.450 12.672
210 2HG1 VAL 31 1HG1 VAL 31 -1.830 -21.232 11.904
211 3HG1 VAL 31 3HG1 VAL 31 -1.251 -22.856 12.293
212 1HG2 VAL 31 3HG2 VAL 31 0.849 -20.637 9.369
213 2HG2 VAL 31 2HG2 VAL 31 -0.837 -20.161 9.581
214 3HG2 VAL 31 1HG2 VAL 31 0.316 -19.936 10.898
215 H ILE 32 H ILE 32 -0.288 -24.618 11.840
216 HA ILE 32 HA ILE 32 0.435 -24.273 14.490
217 HB ILE 32 HB ILE 32 -0.460 -26.645 12.894
218 1HG1 ILE 32 2HG1 ILE 32 -1.806 -24.965 15.007
219 2HG1 ILE 32 1HG1 ILE 32 -2.072 -24.862 13.270
220 1HG2 ILE 32 2HG2 ILE 32 0.596 -26.643 15.642
221 2HG2 ILE 32 1HG2 ILE 32 -0.980 -27.413 15.455
222 3HG2 ILE 32 3HG2 ILE 32 0.395 -27.978 14.505
223 1HD1 ILE 32 2HD1 ILE 32 -2.405 -27.560 14.394
224 2HD1 ILE 32 1HD1 ILE 32 -3.576 -26.372 14.970
225 3HD1 ILE 32 3HD1 ILE 32 -3.414 -26.683 13.239
226 H VAL 33 H VAL 33 2.108 -26.007 11.904
227 HA VAL 33 HA VAL 33 3.928 -27.516 13.283
228 HB VAL 33 HB VAL 33 4.343 -25.898 10.777
229 1HG1 VAL 33 1HG1 VAL 33 6.069 -27.840 12.206
230 2HG1 VAL 33 3HG1 VAL 33 6.006 -27.941 10.446
231 3HG1 VAL 33 2HG1 VAL 33 6.508 -26.440 11.226
232 1HG2 VAL 33 3HG2 VAL 33 3.220 -28.604 11.367
233 2HG2 VAL 33 2HG2 VAL 33 2.626 -27.359 10.266
234 3HG2 VAL 33 1HG2 VAL 33 4.044 -28.316 9.832
235 H GLY 34 H GLY 34 3.785 -24.063 12.947
236 1HA GLY 34 2HA GLY 34 6.464 -23.612 13.982
237 2HA GLY 34 1HA GLY 34 5.271 -22.377 13.574
238 H ALA 35 H ALA 35 3.116 -23.235 15.086
239 HA ALA 35 HA ALA 35 3.772 -22.204 17.659
240 1HB ALA 35 1HB ALA 35 1.301 -23.415 16.447
241 2HB ALA 35 3HB ALA 35 1.369 -23.005 18.163
242 3HB ALA 35 2HB ALA 35 1.585 -21.745 16.945
243 H THR 36 H THR 36 3.303 -25.416 16.336
244 HA THR 36 HA THR 36 3.009 -26.958 18.612
245 HB THR 36 HB THR 36 4.638 -27.592 16.150
246 HG1 THR 36 HG1 THR 36 2.728 -28.405 15.358
247 1HG2 THR 36 1HG2 THR 36 3.830 -29.181 18.515
248 2HG2 THR 36 3HG2 THR 36 3.656 -29.959 16.941
249 3HG2 THR 36 2HG2 THR 36 5.231 -29.355 17.458
250 H ILE 37 H ILE 37 5.942 -25.575 17.227
251 HA ILE 37 HA ILE 37 7.871 -26.843 18.759
252 HB ILE 37 HB ILE 37 7.733 -24.096 17.597
253 1HG1 ILE 37 2HG1 ILE 37 7.685 -26.299 16.243
254 2HG1 ILE 37 1HG1 ILE 37 8.756 -25.008 15.757
255 1HG2 ILE 37 3HG2 ILE 37 9.339 -24.032 19.434
256 2HG2 ILE 37 2HG2 ILE 37 10.142 -25.464 18.789
257 3HG2 ILE 37 1HG2 ILE 37 10.165 -23.953 17.877
258 1HD1 ILE 37 1HD1 ILE 37 9.961 -26.818 17.684
259 2HD1 ILE 37 3HD1 ILE 37 9.486 -27.619 16.187
260 3HD1 ILE 37 2HD1 ILE 37 10.592 -26.244 16.141
261 H GLY 38 H GLY 38 6.220 -23.753 19.431
262 1HA GLY 38 2HA GLY 38 7.367 -23.450 22.039
263 2HA GLY 38 1HA GLY 38 6.030 -22.513 21.368
264 H ILE 39 H ILE 39 4.178 -24.486 20.841
265 HA ILE 39 HA ILE 39 2.888 -24.837 23.281
266 HB ILE 39 HB ILE 39 2.632 -26.458 20.746
267 1HG1 ILE 39 2HG1 ILE 39 0.910 -24.190 21.750
268 2HG1 ILE 39 1HG1 ILE 39 2.246 -23.968 20.623
269 1HG2 ILE 39 1HG2 ILE 39 1.680 -27.640 22.695
270 2HG2 ILE 39 3HG2 ILE 39 0.715 -26.213 23.079
271 3HG2 ILE 39 2HG2 ILE 39 0.416 -27.100 21.583
272 1HD1 ILE 39 1HD1 ILE 39 0.379 -26.101 19.850
273 2HD1 ILE 39 3HD1 ILE 39 -0.347 -24.493 19.899
274 3HD1 ILE 39 2HD1 ILE 39 1.064 -24.794 18.882
275 H LYS 40 H LYS 40 5.447 -26.659 21.840
276 HA LYS 40 HA LYS 40 5.066 -28.997 23.511
277 1HB LYS 40 2HB LYS 40 6.036 -28.991 21.153
278 2HB LYS 40 1HB LYS 40 7.499 -28.318 21.869
279 1HG LYS 40 2HG LYS 40 7.511 -30.296 23.446
280 2HG LYS 40 1HG LYS 40 6.209 -30.983 22.476
281 1HD LYS 40 2HD LYS 40 8.143 -31.963 21.586
282 2HD LYS 40 1HD LYS 40 7.790 -30.645 20.471
283 1HE LYS 40 2HE LYS 40 9.510 -29.290 21.368
284 2HE LYS 40 1HE LYS 40 9.674 -30.307 22.796
285 1HZ LYS 40 3HZ LYS 40 10.497 -32.086 21.363
286 2HZ LYS 40 2HZ LYS 40 10.385 -31.059 20.014
287 3HZ LYS 40 1HZ LYS 40 11.474 -30.703 21.269
288 H LEU 41 H LEU 41 7.851 -26.815 23.067
289 HA LEU 41 HA LEU 41 9.233 -27.433 25.367
290 1HB LEU 41 2HB LEU 41 10.156 -25.084 25.221
291 2HB LEU 41 1HB LEU 41 10.291 -26.024 23.733
292 HG LEU 41 HG LEU 41 7.934 -24.870 23.273
293 1HD1 LEU 41 2HD1 LEU 41 8.484 -23.649 25.629
294 2HD1 LEU 41 1HD1 LEU 41 9.184 -22.498 24.490
295 3HD1 LEU 41 3HD1 LEU 41 7.483 -22.944 24.359
296 1HD2 LEU 41 2HD2 LEU 41 10.730 -23.941 22.790
297 2HD2 LEU 41 1HD2 LEU 41 9.539 -24.568 21.648
298 3HD2 LEU 41 3HD2 LEU 41 9.386 -22.923 22.268
299 H PHE 42 H PHE 42 6.647 -25.096 24.983
300 HA PHE 42 HA PHE 42 6.726 -24.041 27.613
301 1HB PHE 42 2HB PHE 42 5.419 -23.342 25.379
302 2HB PHE 42 1HB PHE 42 4.123 -24.190 26.207
303 HD1 PHE 42 HD2 PHE 42 3.501 -23.471 28.542
304 HD2 PHE 42 HD1 PHE 42 6.045 -21.152 26.012
305 HE1 PHE 42 HE2 PHE 42 3.077 -21.482 29.935
306 HE2 PHE 42 HE1 PHE 42 5.619 -19.166 27.406
307 HZ PHE 42 HZ PHE 42 4.134 -19.331 29.367
308 H LYS 43 H LYS 43 5.484 -26.992 26.317
309 HA LYS 43 HA LYS 43 3.720 -27.512 28.552
310 1HB LYS 43 2HB LYS 43 2.783 -28.605 26.803
311 2HB LYS 43 1HB LYS 43 4.305 -28.719 25.936
312 1HG LYS 43 2HG LYS 43 4.877 -30.694 26.916
313 2HG LYS 43 1HG LYS 43 3.905 -30.413 28.354
314 1HD LYS 43 2HD LYS 43 2.766 -32.104 27.141
315 2HD LYS 43 1HD LYS 43 1.868 -30.613 26.865
316 1HE LYS 43 2HE LYS 43 3.707 -30.596 24.817
317 2HE LYS 43 1HE LYS 43 3.322 -32.308 24.969
318 1HZ LYS 43 2HZ LYS 43 0.905 -31.072 25.128
319 2HZ LYS 43 1HZ LYS 43 1.728 -30.162 23.953
320 3HZ LYS 43 3HZ LYS 43 1.543 -31.837 23.752
321 H LYS 44 H LYS 44 6.820 -28.739 27.319
322 HA LYS 44 HA LYS 44 7.354 -30.638 29.281
323 1HB LYS 44 2HB LYS 44 9.085 -28.895 27.567
324 2HB LYS 44 1HB LYS 44 9.818 -29.894 28.818
325 1HG LYS 44 2HG LYS 44 8.400 -31.829 27.772
326 2HG LYS 44 1HG LYS 44 8.286 -30.758 26.374
327 1HD LYS 44 2HD LYS 44 10.188 -31.951 25.822
328 2HD LYS 44 1HD LYS 44 10.906 -30.558 26.640
329 1HE LYS 44 2HE LYS 44 10.518 -33.379 27.681
330 2HE LYS 44 1HE LYS 44 12.015 -32.465 27.548
331 1HZ LYS 44 2HZ LYS 44 9.780 -31.766 29.373
332 2HZ LYS 44 1HZ LYS 44 11.162 -32.640 29.832
333 3HZ LYS 44 3HZ LYS 44 11.311 -31.034 29.310
334 H PHE 45 H PHE 45 7.543 -27.172 29.369
335 HA PHE 45 HA PHE 45 9.118 -26.839 31.686
336 1HB PHE 45 2HB PHE 45 8.638 -24.980 30.193
337 2HB PHE 45 1HB PHE 45 6.924 -25.073 30.576
338 HD1 PHE 45 HD2 PHE 45 9.828 -25.357 32.875
339 HD2 PHE 45 HD1 PHE 45 6.493 -23.012 31.608
340 HE1 PHE 45 HE2 PHE 45 10.186 -23.824 34.771
341 HE2 PHE 45 HE1 PHE 45 6.852 -21.478 33.504
342 HZ PHE 45 HZ PHE 45 8.699 -21.885 35.086
343 H THR 46 H THR 46 5.661 -26.024 31.669
344 HA THR 46 HA THR 46 5.145 -27.831 33.875
345 HB THR 46 HB THR 46 6.039 -25.821 34.975
346 HG1 THR 46 HG1 THR 46 4.639 -26.197 36.489
347 1HG2 THR 46 1HG2 THR 46 5.278 -24.194 33.243
348 2HG2 THR 46 3HG2 THR 46 3.633 -24.387 33.849
349 3HG2 THR 46 2HG2 THR 46 4.885 -23.713 34.895
350 H SER 47 H SER 47 3.839 -25.117 31.974
351 HA SER 47 HA SER 47 1.797 -24.824 30.920
352 1HB SER 47 2HB SER 47 2.379 -27.691 30.774
353 2HB SER 47 1HB SER 47 0.666 -27.309 30.651
354 HG SER 47 HG SER 47 1.461 -25.646 29.054
355 H LYS 48 H LYS 48 -0.227 -24.318 31.579
356 HA LYS 48 HA LYS 48 -1.448 -25.723 33.741
357 1HB LYS 48 2HB LYS 48 -1.438 -22.745 33.871
358 2HB LYS 48 1HB LYS 48 -1.742 -23.905 35.160
359 1HG LYS 48 2HG LYS 48 0.383 -23.255 35.729
360 2HG LYS 48 1HG LYS 48 0.771 -24.586 34.647
361 1HD LYS 48 2HD LYS 48 2.148 -22.887 33.872
362 2HD LYS 48 1HD LYS 48 0.760 -22.787 32.793
363 1HE LYS 48 2HE LYS 48 1.648 -20.588 33.778
364 2HE LYS 48 1HE LYS 48 -0.087 -20.875 33.870
365 1HZ LYS 48 1HZ LYS 48 1.685 -21.656 36.092
366 2HZ LYS 48 3HZ LYS 48 1.148 -20.055 35.944
367 3HZ LYS 48 2HZ LYS 48 0.021 -21.313 36.119
368 H ALA 49 H ALA 49 -1.991 -22.701 31.960
369 HA ALA 49 HA ALA 49 -4.771 -22.947 31.756
370 1HB ALA 49 1HB ALA 49 -2.744 -21.172 30.885
371 2HB ALA 49 3HB ALA 49 -3.730 -21.572 29.478
372 3HB ALA 49 2HB ALA 49 -4.489 -20.895 30.922
373 H SER 50 H SER 50 -5.836 -22.988 29.471
374 HA SER 50 HA SER 50 -5.014 -25.514 28.198
375 1HB SER 50 2HB SER 50 -7.633 -24.124 27.738
376 2HB SER 50 1HB SER 50 -7.243 -25.831 27.568
377 HG SER 50 HG SER 50 -8.275 -25.708 29.501
No H/Q in entry = 377
Start of MODEL 17
1 1H ALA 1 1H ALA 1 7.542 5.557 3.284
2 2H ALA 1 3H ALA 1 6.146 4.610 3.112
3 3H ALA 1 2H ALA 1 7.488 3.997 3.955
4 HA ALA 1 HA ALA 1 8.791 3.884 1.997
5 1HB ALA 1 1HB ALA 1 6.544 2.324 2.442
6 2HB ALA 1 3HB ALA 1 6.394 2.791 0.747
7 3HB ALA 1 2HB ALA 1 7.849 1.964 1.309
8 H GLU 2 H GLU 2 5.514 4.633 0.823
9 HA GLU 2 HA GLU 2 6.072 7.046 -0.453
10 1HB GLU 2 2HB GLU 2 6.230 6.232 -2.830
11 2HB GLU 2 1HB GLU 2 7.663 5.922 -1.854
12 1HG GLU 2 2HG GLU 2 6.709 3.609 -1.414
13 2HG GLU 2 1HG GLU 2 5.519 3.958 -2.668
14 H GLY 3 H GLY 3 3.943 7.158 0.515
15 1HA GLY 3 2HA GLY 3 1.725 5.718 0.131
16 2HA GLY 3 1HA GLY 3 1.679 7.468 0.172
17 H ASP 4 H ASP 4 0.087 5.531 -1.329
18 HA ASP 4 HA ASP 4 0.316 6.760 -3.977
19 1HB ASP 4 2HB ASP 4 0.794 3.937 -3.293
20 2HB ASP 4 1HB ASP 4 -0.277 4.209 -4.670
21 H ASP 5 H ASP 5 -1.402 3.948 -2.761
22 HA ASP 5 HA ASP 5 -3.869 5.103 -2.202
23 1HB ASP 5 2HB ASP 5 -3.831 5.602 -4.622
24 2HB ASP 5 1HB ASP 5 -3.611 3.883 -4.944
25 HA PRO 6 HA PRO 6 -3.869 0.991 -0.465
26 1HB PRO 6 2HB PRO 6 -6.482 0.957 0.337
27 2HB PRO 6 1HB PRO 6 -5.179 1.762 1.229
28 1HG PRO 6 2HG PRO 6 -7.165 2.938 -0.678
29 2HG PRO 6 1HG PRO 6 -6.611 3.560 0.891
30 1HD PRO 6 2HD PRO 6 -5.620 4.545 -1.399
31 2HD PRO 6 1HD PRO 6 -4.576 4.319 0.020
32 H ALA 7 H ALA 7 -5.776 2.111 -3.080
33 HA ALA 7 HA ALA 7 -7.220 -0.220 -3.765
34 1HB ALA 7 3HB ALA 7 -6.132 2.059 -5.432
35 2HB ALA 7 2HB ALA 7 -7.223 0.815 -6.053
36 3HB ALA 7 1HB ALA 7 -7.765 1.908 -4.777
37 H LYS 8 H LYS 8 -3.938 0.841 -4.226
38 HA LYS 8 HA LYS 8 -3.219 -1.145 -6.168
39 1HB LYS 8 2HB LYS 8 -1.057 -0.213 -6.062
40 2HB LYS 8 1HB LYS 8 -2.151 1.146 -5.811
41 1HG LYS 8 2HG LYS 8 -1.043 1.615 -3.931
42 2HG LYS 8 1HG LYS 8 -1.643 0.105 -3.250
43 1HD LYS 8 2HD LYS 8 0.299 -1.093 -4.055
44 2HD LYS 8 1HD LYS 8 0.870 0.330 -4.918
45 1HE LYS 8 2HE LYS 8 1.823 -0.345 -2.526
46 2HE LYS 8 1HE LYS 8 1.656 1.337 -3.016
47 1HZ LYS 8 2HZ LYS 8 -0.536 -0.061 -1.621
48 2HZ LYS 8 1HZ LYS 8 0.751 0.625 -0.750
49 3HZ LYS 8 3HZ LYS 8 -0.230 1.607 -1.724
50 H ALA 9 H ALA 9 -3.380 -0.993 -2.715
51 HA ALA 9 HA ALA 9 -1.551 -3.142 -2.186
52 1HB ALA 9 3HB ALA 9 -2.439 -1.219 -0.623
53 2HB ALA 9 2HB ALA 9 -3.725 -2.380 -0.284
54 3HB ALA 9 1HB ALA 9 -2.044 -2.804 0.044
55 H ALA 10 H ALA 10 -5.079 -2.911 -1.736
56 HA ALA 10 HA ALA 10 -5.742 -5.494 -1.213
57 1HB ALA 10 2HB ALA 10 -7.107 -3.283 -2.652
58 2HB ALA 10 1HB ALA 10 -7.814 -4.895 -2.788
59 3HB ALA 10 3HB ALA 10 -7.594 -4.158 -1.199
60 H PHE 11 H PHE 11 -4.959 -4.150 -4.382
61 HA PHE 11 HA PHE 11 -5.682 -6.417 -5.917
62 1HB PHE 11 2HB PHE 11 -5.235 -4.072 -6.753
63 2HB PHE 11 1HB PHE 11 -3.522 -4.426 -6.586
64 HD1 PHE 11 HD1 PHE 11 -5.124 -7.424 -7.472
65 HD2 PHE 11 HD2 PHE 11 -3.868 -3.690 -9.154
66 HE1 PHE 11 HE1 PHE 11 -5.123 -8.428 -9.718
67 HE2 PHE 11 HE2 PHE 11 -3.871 -4.708 -11.392
68 HZ PHE 11 HZ PHE 11 -4.498 -7.073 -11.677
69 H ASN 12 H ASN 12 -2.675 -5.425 -4.355
70 HA ASN 12 HA ASN 12 -1.282 -7.818 -5.281
71 1HB ASN 12 2HB ASN 12 -0.474 -5.242 -4.637
72 2HB ASN 12 1HB ASN 12 0.097 -6.216 -3.282
73 1HD2 ASN 12 2HD2 ASN 12 1.833 -6.492 -6.923
74 2HD2 ASN 12 1HD2 ASN 12 0.497 -5.445 -6.597
75 H SER 13 H SER 13 -3.572 -7.537 -3.100
76 HA SER 13 HA SER 13 -2.203 -8.947 -0.915
77 1HB SER 13 2HB SER 13 -5.086 -8.267 -0.749
78 2HB SER 13 1HB SER 13 -3.841 -8.202 0.491
79 HG SER 13 HG SER 13 -4.134 -6.101 0.019
80 H LEU 14 H LEU 14 -4.564 -9.333 -3.448
81 HA LEU 14 HA LEU 14 -5.874 -11.650 -2.644
82 1HB LEU 14 2HB LEU 14 -6.571 -10.405 -4.597
83 2HB LEU 14 1HB LEU 14 -5.063 -10.782 -5.420
84 HG LEU 14 HG LEU 14 -5.656 -13.183 -5.258
85 1HD1 LEU 14 1HD1 LEU 14 -7.295 -12.768 -3.325
86 2HD1 LEU 14 3HD1 LEU 14 -8.458 -12.353 -4.586
87 3HD1 LEU 14 2HD1 LEU 14 -7.738 -13.963 -4.543
88 1HD2 LEU 14 1HD2 LEU 14 -7.331 -11.260 -6.814
89 2HD2 LEU 14 3HD2 LEU 14 -6.079 -12.371 -7.376
90 3HD2 LEU 14 2HD2 LEU 14 -7.665 -12.990 -6.911
91 H GLN 15 H GLN 15 -2.628 -11.190 -3.707
92 HA GLN 15 HA GLN 15 -2.051 -13.880 -4.468
93 1HB GLN 15 2HB GLN 15 -0.703 -11.817 -5.059
94 2HB GLN 15 1HB GLN 15 -0.099 -11.840 -3.406
95 1HG GLN 15 2HG GLN 15 0.361 -14.411 -4.116
96 2HG GLN 15 1HG GLN 15 0.543 -13.614 -5.679
97 1HE2 GLN 15 2HD2 GLN 15 3.223 -11.474 -4.432
98 2HE2 GLN 15 1HD2 GLN 15 1.712 -11.321 -5.256
99 H ALA 16 H ALA 16 -2.192 -12.131 -1.471
100 HA ALA 16 HA ALA 16 -0.836 -14.184 0.070
101 1HB ALA 16 3HB ALA 16 -2.192 -11.582 0.758
102 2HB ALA 16 2HB ALA 16 -1.610 -12.696 1.999
103 3HB ALA 16 1HB ALA 16 -0.475 -11.981 0.852
104 H SER 17 H SER 17 -4.053 -13.401 -0.919
105 HA SER 17 HA SER 17 -5.317 -14.971 1.178
106 1HB SER 17 2HB SER 17 -6.157 -12.830 -0.274
107 2HB SER 17 1HB SER 17 -6.920 -14.153 -1.149
108 HG SER 17 HG SER 17 -8.177 -14.535 0.541
109 H ALA 18 H ALA 18 -4.744 -15.166 -2.311
110 HA ALA 18 HA ALA 18 -6.175 -17.430 -2.970
111 1HB ALA 18 3HB ALA 18 -3.742 -16.110 -4.014
112 2HB ALA 18 2HB ALA 18 -3.999 -17.783 -4.515
113 3HB ALA 18 1HB ALA 18 -5.231 -16.563 -4.846
114 H THR 19 H THR 19 -2.907 -17.263 -1.593
115 HA THR 19 HA THR 19 -2.131 -19.895 -1.694
116 HB THR 19 HB THR 19 -1.639 -18.557 0.884
117 HG1 THR 19 HG1 THR 19 -1.614 -16.706 -0.250
118 1HG2 THR 19 3HG2 THR 19 -0.422 -20.576 -0.049
119 2HG2 THR 19 2HG2 THR 19 0.307 -19.477 -1.223
120 3HG2 THR 19 1HG2 THR 19 0.599 -19.247 0.501
121 H GLU 20 H GLU 20 -4.276 -18.387 0.693
122 HA GLU 20 HA GLU 20 -4.585 -20.578 2.390
123 1HB GLU 20 2HB GLU 20 -5.128 -18.395 3.112
124 2HB GLU 20 1HB GLU 20 -6.202 -18.130 1.753
125 1HG GLU 20 2HG GLU 20 -7.904 -19.023 2.807
126 2HG GLU 20 1HG GLU 20 -6.982 -20.440 3.269
127 H TYR 21 H TYR 21 -6.187 -19.632 -0.585
128 HA TYR 21 HA TYR 21 -8.243 -21.673 -0.321
129 1HB TYR 21 2HB TYR 21 -7.653 -19.473 -2.247
130 2HB TYR 21 1HB TYR 21 -8.690 -20.798 -2.759
131 HD1 TYR 21 HD1 TYR 21 -10.772 -21.293 -1.436
132 HD2 TYR 21 HD2 TYR 21 -8.444 -17.767 -0.836
133 HE1 TYR 21 HE1 TYR 21 -12.679 -20.225 -0.297
134 HE2 TYR 21 HE2 TYR 21 -10.354 -16.702 0.303
135 HH TYR 21 HH TYR 21 -12.971 -17.033 0.207
136 H ILE 22 H ILE 22 -5.219 -21.183 -2.031
137 HA ILE 22 HA ILE 22 -5.557 -23.330 -3.866
138 HB ILE 22 HB ILE 22 -3.180 -21.760 -2.871
139 1HG1 ILE 22 2HG1 ILE 22 -4.614 -21.758 -5.551
140 2HG1 ILE 22 1HG1 ILE 22 -4.781 -20.523 -4.280
141 1HG2 ILE 22 1HG2 ILE 22 -2.456 -24.012 -3.517
142 2HG2 ILE 22 3HG2 ILE 22 -3.166 -23.773 -5.114
143 3HG2 ILE 22 2HG2 ILE 22 -1.820 -22.762 -4.585
144 1HD1 ILE 22 2HD1 ILE 22 -2.082 -21.219 -5.468
145 2HD1 ILE 22 1HD1 ILE 22 -3.147 -20.044 -6.243
146 3HD1 ILE 22 3HD1 ILE 22 -2.555 -19.754 -4.605
147 H GLY 23 H GLY 23 -4.757 -23.140 -0.524
148 1HA GLY 23 2HA GLY 23 -4.612 -25.999 -0.301
149 2HA GLY 23 1HA GLY 23 -3.054 -25.224 -0.024
150 H TYR 24 H TYR 24 -6.462 -24.760 0.927
151 HA TYR 24 HA TYR 24 -6.013 -23.358 3.298
152 1HB TYR 24 2HB TYR 24 -8.274 -24.558 2.059
153 2HB TYR 24 1HB TYR 24 -8.215 -25.147 3.711
154 HD1 TYR 24 HD1 TYR 24 -7.842 -23.327 5.551
155 HD2 TYR 24 HD2 TYR 24 -9.243 -22.517 1.602
156 HE1 TYR 24 HE1 TYR 24 -8.820 -21.205 6.331
157 HE2 TYR 24 HE2 TYR 24 -10.221 -20.394 2.388
158 HH TYR 24 HH TYR 24 -11.060 -19.467 4.623
159 H ALA 25 H ALA 25 -5.542 -26.711 2.575
160 HA ALA 25 HA ALA 25 -5.522 -27.629 5.303
161 1HB ALA 25 2HB ALA 25 -6.037 -29.141 3.406
162 2HB ALA 25 1HB ALA 25 -4.390 -28.927 2.807
163 3HB ALA 25 3HB ALA 25 -4.668 -29.726 4.356
164 H TRP 26 H TRP 26 -3.087 -26.672 2.923
165 HA TRP 26 HA TRP 26 -0.789 -27.371 4.373
166 1HB TRP 26 2HB TRP 26 -1.459 -25.664 2.074
167 2HB TRP 26 1HB TRP 26 -0.042 -25.150 2.975
168 HD1 TRP 26 1HD TRP 26 -0.650 -27.012 0.022
169 HE1 TRP 26 1HE TRP 26 1.071 -28.860 -0.355
170 HE3 TRP 26 3HE TRP 26 1.388 -27.315 4.714
171 HZ2 TRP 26 2HZ TRP 26 3.025 -30.269 1.081
172 HZ3 TRP 26 3HZ TRP 26 3.187 -28.939 5.140
173 HH2 TRP 26 HH2 TRP 26 4.000 -30.405 3.342
174 H ALA 27 H ALA 27 -2.616 -24.326 4.225
175 HA ALA 27 HA ALA 27 -1.023 -22.823 5.978
176 1HB ALA 27 3HB ALA 27 -3.952 -22.696 5.275
177 2HB ALA 27 2HB ALA 27 -3.193 -21.540 6.371
178 3HB ALA 27 1HB ALA 27 -2.644 -21.661 4.699
179 H MET 28 H MET 28 -3.938 -24.773 6.633
180 HA MET 28 HA MET 28 -4.118 -24.361 9.373
181 1HB MET 28 2HB MET 28 -5.547 -25.776 7.583
182 2HB MET 28 1HB MET 28 -4.637 -27.096 8.301
183 1HG MET 28 2HG MET 28 -6.706 -25.310 9.544
184 2HG MET 28 1HG MET 28 -6.567 -27.051 9.559
185 1HE MET 28 2HE MET 28 -7.497 -25.548 11.742
186 2HE MET 28 1HE MET 28 -6.612 -26.020 13.191
187 3HE MET 28 3HE MET 28 -6.395 -24.404 12.505
188 H VAL 29 H VAL 29 -2.277 -26.780 7.555
189 HA VAL 29 HA VAL 29 -1.174 -28.148 9.757
190 HB VAL 29 HB VAL 29 -0.028 -27.721 6.999
191 1HG1 VAL 29 2HG1 VAL 29 1.269 -28.763 9.167
192 2HG1 VAL 29 1HG1 VAL 29 0.578 -30.206 8.423
193 3HG1 VAL 29 3HG1 VAL 29 1.634 -29.149 7.484
194 1HG2 VAL 29 1HG2 VAL 29 -2.395 -28.921 7.599
195 2HG2 VAL 29 3HG2 VAL 29 -1.394 -29.323 6.203
196 3HG2 VAL 29 2HG2 VAL 29 -1.282 -30.289 7.676
197 H VAL 30 H VAL 30 -0.087 -25.341 7.905
198 HA VAL 30 HA VAL 30 2.388 -25.003 9.279
199 HB VAL 30 HB VAL 30 0.715 -23.068 7.693
200 1HG1 VAL 30 1HG1 VAL 30 3.549 -22.846 8.702
201 2HG1 VAL 30 3HG1 VAL 30 2.852 -21.792 7.471
202 3HG1 VAL 30 2HG1 VAL 30 2.185 -21.801 9.104
203 1HG2 VAL 30 2HG2 VAL 30 2.493 -25.239 6.965
204 2HG2 VAL 30 1HG2 VAL 30 1.389 -24.299 5.957
205 3HG2 VAL 30 3HG2 VAL 30 3.017 -23.700 6.279
206 H VAL 31 H VAL 31 -0.887 -23.866 9.743
207 HA VAL 31 HA VAL 31 -0.383 -21.906 11.712
208 HB VAL 31 HB VAL 31 -2.628 -23.137 10.439
209 1HG1 VAL 31 2HG1 VAL 31 -2.926 -22.880 13.427
210 2HG1 VAL 31 1HG1 VAL 31 -4.268 -23.054 12.293
211 3HG1 VAL 31 3HG1 VAL 31 -3.086 -24.355 12.471
212 1HG2 VAL 31 1HG2 VAL 31 -1.890 -20.596 11.705
213 2HG2 VAL 31 3HG2 VAL 31 -2.765 -20.908 10.204
214 3HG2 VAL 31 2HG2 VAL 31 -3.616 -20.960 11.748
215 H ILE 32 H ILE 32 -1.333 -25.305 11.967
216 HA ILE 32 HA ILE 32 -1.360 -25.614 14.709
217 HB ILE 32 HB ILE 32 -0.693 -27.446 12.438
218 1HG1 ILE 32 2HG1 ILE 32 -3.014 -27.298 14.358
219 2HG1 ILE 32 1HG1 ILE 32 -3.003 -26.724 12.694
220 1HG2 ILE 32 2HG2 ILE 32 0.582 -28.282 14.370
221 2HG2 ILE 32 1HG2 ILE 32 -0.892 -28.276 15.340
222 3HG2 ILE 32 3HG2 ILE 32 -0.750 -29.364 13.957
223 1HD1 ILE 32 1HD1 ILE 32 -2.210 -29.256 12.276
224 2HD1 ILE 32 3HD1 ILE 32 -3.166 -29.493 13.741
225 3HD1 ILE 32 2HD1 ILE 32 -3.909 -28.778 12.306
226 H VAL 33 H VAL 33 1.415 -25.615 12.499
227 HA VAL 33 HA VAL 33 3.400 -26.568 14.140
228 HB VAL 33 HB VAL 33 3.559 -24.312 12.150
229 1HG1 VAL 33 3HG1 VAL 33 5.484 -24.480 13.735
230 2HG1 VAL 33 2HG1 VAL 33 5.770 -26.109 13.122
231 3HG1 VAL 33 1HG1 VAL 33 5.910 -24.722 12.041
232 1HG2 VAL 33 3HG2 VAL 33 3.528 -27.278 11.915
233 2HG2 VAL 33 2HG2 VAL 33 2.856 -26.051 10.839
234 3HG2 VAL 33 1HG2 VAL 33 4.591 -26.372 10.837
235 H GLY 34 H GLY 34 2.303 -23.197 13.813
236 1HA GLY 34 2HA GLY 34 3.980 -21.942 15.607
237 2HA GLY 34 1HA GLY 34 2.312 -21.450 15.314
238 H ALA 35 H ALA 35 1.136 -23.908 16.257
239 HA ALA 35 HA ALA 35 1.167 -23.341 19.101
240 1HB ALA 35 2HB ALA 35 -0.954 -23.747 17.904
241 2HB ALA 35 1HB ALA 35 -0.418 -25.388 17.535
242 3HB ALA 35 3HB ALA 35 -0.702 -24.908 19.209
243 H THR 36 H THR 36 1.870 -26.106 16.984
244 HA THR 36 HA THR 36 2.499 -28.050 18.827
245 HB THR 36 HB THR 36 4.245 -27.646 16.431
246 HG1 THR 36 HG1 THR 36 2.478 -28.619 15.230
247 1HG2 THR 36 1HG2 THR 36 4.578 -29.612 17.890
248 2HG2 THR 36 3HG2 THR 36 2.906 -30.093 17.593
249 3HG2 THR 36 2HG2 THR 36 4.066 -30.063 16.263
250 H ILE 37 H ILE 37 4.741 -25.630 17.474
251 HA ILE 37 HA ILE 37 7.065 -26.286 18.749
252 HB ILE 37 HB ILE 37 5.983 -23.528 18.290
253 1HG1 ILE 37 2HG1 ILE 37 6.728 -25.683 16.518
254 2HG1 ILE 37 1HG1 ILE 37 6.004 -24.133 16.146
255 1HG2 ILE 37 2HG2 ILE 37 7.950 -23.618 19.791
256 2HG2 ILE 37 1HG2 ILE 37 8.846 -24.467 18.530
257 3HG2 ILE 37 3HG2 ILE 37 8.298 -22.811 18.260
258 1HD1 ILE 37 1HD1 ILE 37 8.276 -23.117 16.174
259 2HD1 ILE 37 3HD1 ILE 37 8.945 -24.729 16.435
260 3HD1 ILE 37 2HD1 ILE 37 8.086 -24.362 14.937
261 H GLY 38 H GLY 38 4.842 -23.782 19.984
262 1HA GLY 38 2HA GLY 38 6.007 -23.533 22.522
263 2HA GLY 38 1HA GLY 38 4.355 -23.073 22.115
264 H ILE 39 H ILE 39 3.111 -25.381 21.550
265 HA ILE 39 HA ILE 39 2.426 -26.484 23.988
266 HB ILE 39 HB ILE 39 2.284 -27.698 21.230
267 1HG1 ILE 39 2HG1 ILE 39 0.121 -26.390 22.881
268 2HG1 ILE 39 1HG1 ILE 39 1.090 -25.525 21.693
269 1HG2 ILE 39 1HG2 ILE 39 0.936 -28.567 23.800
270 2HG2 ILE 39 3HG2 ILE 39 0.499 -29.153 22.194
271 3HG2 ILE 39 2HG2 ILE 39 2.102 -29.495 22.855
272 1HD1 ILE 39 3HD1 ILE 39 -0.364 -28.039 20.924
273 2HD1 ILE 39 2HD1 ILE 39 -1.212 -26.492 20.970
274 3HD1 ILE 39 1HD1 ILE 39 0.172 -26.707 19.896
275 H LYS 40 H LYS 40 5.146 -27.202 21.964
276 HA LYS 40 HA LYS 40 5.787 -29.700 23.300
277 1HB LYS 40 2HB LYS 40 6.342 -28.813 20.829
278 2HB LYS 40 1HB LYS 40 7.807 -28.282 21.650
279 1HG LYS 40 2HG LYS 40 7.349 -30.898 22.557
280 2HG LYS 40 1HG LYS 40 7.037 -30.940 20.823
281 1HD LYS 40 2HD LYS 40 9.324 -29.429 20.961
282 2HD LYS 40 1HD LYS 40 9.564 -30.581 22.272
283 1HE LYS 40 2HE LYS 40 10.314 -31.977 20.675
284 2HE LYS 40 1HE LYS 40 8.618 -32.184 20.248
285 1HZ LYS 40 2HZ LYS 40 8.959 -30.169 18.774
286 2HZ LYS 40 1HZ LYS 40 10.625 -30.414 18.997
287 3HZ LYS 40 3HZ LYS 40 9.682 -31.621 18.269
288 H LEU 41 H LEU 41 7.686 -26.732 22.805
289 HA LEU 41 HA LEU 41 9.505 -27.095 24.862
290 1HB LEU 41 2HB LEU 41 9.713 -24.568 24.824
291 2HB LEU 41 1HB LEU 41 9.927 -25.358 23.258
292 HG LEU 41 HG LEU 41 7.243 -24.895 23.283
293 1HD1 LEU 41 1HD1 LEU 41 7.549 -23.624 25.441
294 2HD1 LEU 41 3HD1 LEU 41 8.461 -22.432 24.513
295 3HD1 LEU 41 2HD1 LEU 41 6.764 -22.731 24.138
296 1HD2 LEU 41 3HD2 LEU 41 8.850 -24.424 21.472
297 2HD2 LEU 41 2HD2 LEU 41 7.713 -23.097 21.718
298 3HD2 LEU 41 1HD2 LEU 41 9.364 -22.972 22.330
299 H PHE 42 H PHE 42 6.341 -25.617 24.949
300 HA PHE 42 HA PHE 42 6.207 -24.435 27.408
301 1HB PHE 42 2HB PHE 42 4.351 -24.516 25.817
302 2HB PHE 42 1HB PHE 42 4.119 -26.221 26.163
303 HD1 PHE 42 HD2 PHE 42 3.301 -26.940 28.376
304 HD2 PHE 42 HD1 PHE 42 3.527 -22.817 27.288
305 HE1 PHE 42 HE2 PHE 42 1.792 -26.366 30.238
306 HE2 PHE 42 HE1 PHE 42 2.017 -22.245 29.150
307 HZ PHE 42 HZ PHE 42 1.150 -24.018 30.625
308 H LYS 43 H LYS 43 5.985 -27.880 26.704
309 HA LYS 43 HA LYS 43 5.553 -28.606 29.464
310 1HB LYS 43 2HB LYS 43 4.511 -30.210 28.263
311 2HB LYS 43 1HB LYS 43 5.506 -29.929 26.845
312 1HG LYS 43 2HG LYS 43 7.113 -31.411 27.512
313 2HG LYS 43 1HG LYS 43 6.693 -31.300 29.215
314 1HD LYS 43 2HD LYS 43 5.847 -33.389 28.633
315 2HD LYS 43 1HD LYS 43 4.440 -32.336 28.493
316 1HE LYS 43 2HE LYS 43 4.201 -32.934 26.353
317 2HE LYS 43 1HE LYS 43 5.806 -32.305 25.995
318 1HZ LYS 43 1HZ LYS 43 6.589 -34.539 26.963
319 2HZ LYS 43 3HZ LYS 43 5.000 -35.053 26.672
320 3HZ LYS 43 2HZ LYS 43 5.961 -34.501 25.384
321 H LYS 44 H LYS 44 8.278 -28.042 27.435
322 HA LYS 44 HA LYS 44 10.062 -29.530 29.232
323 1HB LYS 44 2HB LYS 44 10.978 -28.060 26.787
324 2HB LYS 44 1HB LYS 44 11.667 -29.485 27.553
325 1HG LYS 44 2HG LYS 44 9.287 -30.527 26.915
326 2HG LYS 44 1HG LYS 44 9.362 -29.283 25.664
327 1HD LYS 44 2HD LYS 44 10.425 -30.973 24.536
328 2HD LYS 44 1HD LYS 44 11.833 -30.249 25.326
329 1HE LYS 44 2HE LYS 44 10.342 -32.789 26.013
330 2HE LYS 44 1HE LYS 44 12.071 -32.566 25.763
331 1HZ LYS 44 1HZ LYS 44 10.499 -31.534 28.065
332 2HZ LYS 44 3HZ LYS 44 11.542 -32.870 28.093
333 3HZ LYS 44 2HZ LYS 44 12.167 -31.316 27.828
334 H PHE 45 H PHE 45 8.935 -26.358 28.726
335 HA PHE 45 HA PHE 45 11.351 -25.099 29.775
336 1HB PHE 45 2HB PHE 45 10.101 -24.034 27.933
337 2HB PHE 45 1HB PHE 45 8.710 -23.854 28.993
338 HD1 PHE 45 HD1 PHE 45 12.251 -22.862 28.522
339 HD2 PHE 45 HD2 PHE 45 8.547 -22.040 30.479
340 HE1 PHE 45 HE1 PHE 45 13.153 -20.712 29.327
341 HE2 PHE 45 HE2 PHE 45 9.448 -19.893 31.285
342 HZ PHE 45 HZ PHE 45 11.751 -19.227 30.709
343 H THR 46 H THR 46 7.961 -24.454 30.636
344 HA THR 46 HA THR 46 8.776 -24.283 33.437
345 HB THR 46 HB THR 46 6.374 -23.348 33.627
346 HG1 THR 46 HG1 THR 46 5.398 -22.811 31.784
347 1HG2 THR 46 1HG2 THR 46 8.876 -22.167 32.873
348 2HG2 THR 46 3HG2 THR 46 7.552 -21.282 32.114
349 3HG2 THR 46 2HG2 THR 46 7.583 -21.492 33.866
350 H SER 47 H SER 47 8.551 -26.864 32.236
351 HA SER 47 HA SER 47 6.491 -28.002 33.990
352 1HB SER 47 2HB SER 47 6.490 -28.072 31.064
353 2HB SER 47 1HB SER 47 6.348 -29.658 31.812
354 HG SER 47 HG SER 47 4.778 -27.482 32.716
355 H LYS 48 H LYS 48 7.379 -29.525 35.192
356 HA LYS 48 HA LYS 48 9.916 -30.320 35.320
357 1HB LYS 48 2HB LYS 48 7.536 -32.081 35.886
358 2HB LYS 48 1HB LYS 48 9.169 -32.367 36.474
359 1HG LYS 48 2HG LYS 48 7.543 -29.894 37.108
360 2HG LYS 48 1HG LYS 48 7.656 -31.300 38.153
361 1HD LYS 48 2HD LYS 48 10.264 -30.842 37.827
362 2HD LYS 48 1HD LYS 48 9.673 -29.208 37.542
363 1HE LYS 48 2HE LYS 48 9.659 -30.828 40.038
364 2HE LYS 48 1HE LYS 48 9.964 -29.109 39.811
365 1HZ LYS 48 3HZ LYS 48 7.513 -28.952 39.256
366 2HZ LYS 48 2HZ LYS 48 7.365 -30.514 39.909
367 3HZ LYS 48 1HZ LYS 48 7.914 -29.232 40.880
368 H ALA 49 H ALA 49 11.299 -31.675 34.308
369 HA ALA 49 HA ALA 49 10.886 -32.512 31.691
370 1HB ALA 49 2HB ALA 49 12.954 -32.584 33.612
371 2HB ALA 49 1HB ALA 49 12.787 -34.223 32.977
372 3HB ALA 49 3HB ALA 49 13.081 -32.875 31.874
373 H SER 50 H SER 50 9.433 -33.935 31.000
374 HA SER 50 HA SER 50 8.216 -35.861 30.763
375 1HB SER 50 2HB SER 50 9.653 -37.480 32.714
376 2HB SER 50 1HB SER 50 9.424 -37.736 30.988
377 HG SER 50 HG SER 50 11.264 -36.677 30.584
No H/Q in entry = 377
Start of MODEL 18
1 1H ALA 1 2H ALA 1 6.156 12.405 12.117
2 2H ALA 1 1H ALA 1 5.312 13.302 10.947
3 3H ALA 1 3H ALA 1 5.570 13.955 12.492
4 HA ALA 1 HA ALA 1 4.084 12.495 13.507
5 1HB ALA 1 1HB ALA 1 3.253 14.203 11.472
6 2HB ALA 1 3HB ALA 1 2.386 12.698 11.159
7 3HB ALA 1 2HB ALA 1 2.235 13.493 12.728
8 H GLU 2 H GLU 2 2.685 10.635 13.407
9 HA GLU 2 HA GLU 2 2.257 8.429 12.989
10 1HB GLU 2 2HB GLU 2 1.439 9.199 10.844
11 2HB GLU 2 1HB GLU 2 3.074 9.286 10.203
12 1HG GLU 2 2HG GLU 2 1.654 7.262 9.520
13 2HG GLU 2 1HG GLU 2 3.280 6.924 10.110
14 H GLY 3 H GLY 3 4.328 8.395 14.389
15 1HA GLY 3 2HA GLY 3 6.860 7.928 13.600
16 2HA GLY 3 1HA GLY 3 6.129 7.093 14.961
17 H ASP 4 H ASP 4 8.063 5.783 13.562
18 HA ASP 4 HA ASP 4 6.844 4.080 11.544
19 1HB ASP 4 2HB ASP 4 9.583 4.447 12.659
20 2HB ASP 4 1HB ASP 4 9.184 2.893 11.921
21 H ASP 5 H ASP 5 5.214 3.523 13.431
22 HA ASP 5 HA ASP 5 6.288 1.145 14.785
23 1HB ASP 5 2HB ASP 5 5.258 3.346 16.019
24 2HB ASP 5 1HB ASP 5 3.836 2.311 15.882
25 HA PRO 6 HA PRO 6 2.613 0.046 11.981
26 1HB PRO 6 2HB PRO 6 3.977 -1.284 10.049
27 2HB PRO 6 1HB PRO 6 3.591 0.443 9.940
28 1HG PRO 6 2HG PRO 6 6.149 -0.870 10.739
29 2HG PRO 6 1HG PRO 6 5.890 0.563 9.729
30 1HD PRO 6 2HD PRO 6 6.641 0.707 12.321
31 2HD PRO 6 1HD PRO 6 5.642 1.949 11.535
32 H ALA 7 H ALA 7 5.430 -1.332 13.371
33 HA ALA 7 HA ALA 7 4.884 -4.091 13.106
34 1HB ALA 7 3HB ALA 7 7.043 -2.782 13.869
35 2HB ALA 7 2HB ALA 7 6.333 -2.971 15.475
36 3HB ALA 7 1HB ALA 7 6.707 -4.396 14.503
37 H LYS 8 H LYS 8 4.001 -1.658 15.525
38 HA LYS 8 HA LYS 8 2.563 -3.678 17.086
39 1HB LYS 8 2HB LYS 8 2.412 -2.077 18.814
40 2HB LYS 8 1HB LYS 8 4.031 -1.908 18.145
41 1HG LYS 8 2HG LYS 8 3.476 0.299 18.167
42 2HG LYS 8 1HG LYS 8 2.743 -0.108 16.618
43 1HD LYS 8 2HD LYS 8 0.904 0.849 17.545
44 2HD LYS 8 1HD LYS 8 0.701 -0.745 18.259
45 1HE LYS 8 2HE LYS 8 1.454 1.822 19.527
46 2HE LYS 8 1HE LYS 8 0.541 0.465 20.176
47 1HZ LYS 8 2HZ LYS 8 2.792 -0.726 20.173
48 2HZ LYS 8 1HZ LYS 8 3.464 0.830 20.041
49 3HZ LYS 8 3HZ LYS 8 2.497 0.435 21.378
50 H ALA 9 H ALA 9 1.919 -0.924 14.992
51 HA ALA 9 HA ALA 9 -0.945 -1.046 15.547
52 1HB ALA 9 1HB ALA 9 0.745 0.776 13.834
53 2HB ALA 9 3HB ALA 9 -1.016 0.867 13.905
54 3HB ALA 9 2HB ALA 9 -0.059 1.164 15.358
55 H ALA 10 H ALA 10 0.742 -0.673 12.448
56 HA ALA 10 HA ALA 10 -1.140 -1.706 10.770
57 1HB ALA 10 1HB ALA 10 1.173 -0.713 10.236
58 2HB ALA 10 3HB ALA 10 1.764 -2.370 10.366
59 3HB ALA 10 2HB ALA 10 0.545 -1.961 9.157
60 H PHE 11 H PHE 11 1.251 -3.557 12.611
61 HA PHE 11 HA PHE 11 0.870 -6.087 11.548
62 1HB PHE 11 2HB PHE 11 2.571 -5.492 13.241
63 2HB PHE 11 1HB PHE 11 1.300 -5.384 14.449
64 HD1 PHE 11 HD1 PHE 11 0.722 -7.983 12.049
65 HD2 PHE 11 HD2 PHE 11 2.847 -7.086 15.659
66 HE1 PHE 11 HE1 PHE 11 0.972 -10.388 12.510
67 HE2 PHE 11 HE2 PHE 11 3.086 -9.490 16.105
68 HZ PHE 11 HZ PHE 11 2.153 -11.142 14.536
69 H ASN 12 H ASN 12 -1.070 -4.341 13.909
70 HA ASN 12 HA ASN 12 -2.769 -6.494 14.636
71 1HB ASN 12 2HB ASN 12 -2.427 -4.308 15.878
72 2HB ASN 12 1HB ASN 12 -3.507 -3.574 14.692
73 1HD2 ASN 12 2HD2 ASN 12 -5.260 -5.006 17.788
74 2HD2 ASN 12 1HD2 ASN 12 -3.764 -4.156 17.638
75 H SER 13 H SER 13 -2.894 -4.103 12.049
76 HA SER 13 HA SER 13 -5.563 -4.934 11.247
77 1HB SER 13 2HB SER 13 -4.520 -2.562 11.082
78 2HB SER 13 1HB SER 13 -3.797 -3.173 9.602
79 HG SER 13 HG SER 13 -6.117 -3.881 9.179
80 H LEU 14 H LEU 14 -2.255 -5.111 9.948
81 HA LEU 14 HA LEU 14 -2.775 -6.337 7.524
82 1HB LEU 14 2HB LEU 14 -0.529 -5.574 8.476
83 2HB LEU 14 1HB LEU 14 -0.455 -7.142 9.266
84 HG LEU 14 HG LEU 14 -0.525 -8.272 7.170
85 1HD1 LEU 14 3HD1 LEU 14 -1.020 -5.565 5.954
86 2HD1 LEU 14 2HD1 LEU 14 -0.490 -6.958 5.009
87 3HD1 LEU 14 1HD1 LEU 14 -2.034 -7.007 5.861
88 1HD2 LEU 14 3HD2 LEU 14 1.662 -7.257 7.966
89 2HD2 LEU 14 2HD2 LEU 14 1.581 -7.717 6.265
90 3HD2 LEU 14 1HD2 LEU 14 1.418 -6.023 6.727
91 H GLN 15 H GLN 15 -3.012 -7.624 10.718
92 HA GLN 15 HA GLN 15 -3.038 -10.398 9.978
93 1HB GLN 15 2HB GLN 15 -2.458 -9.678 12.254
94 2HB GLN 15 1HB GLN 15 -4.078 -9.019 12.460
95 1HG GLN 15 2HG GLN 15 -4.636 -11.574 11.674
96 2HG GLN 15 1HG GLN 15 -3.146 -11.807 12.591
97 1HE2 GLN 15 2HD2 GLN 15 -4.591 -10.427 15.625
98 2HE2 GLN 15 1HD2 GLN 15 -3.175 -10.264 14.647
99 H ALA 16 H ALA 16 -5.373 -7.831 10.387
100 HA ALA 16 HA ALA 16 -7.766 -9.251 10.405
101 1HB ALA 16 1HB ALA 16 -6.972 -6.565 10.209
102 2HB ALA 16 3HB ALA 16 -7.983 -6.865 8.794
103 3HB ALA 16 2HB ALA 16 -8.614 -7.180 10.412
104 H SER 17 H SER 17 -5.478 -8.821 7.852
105 HA SER 17 HA SER 17 -7.415 -9.873 5.886
106 1HB SER 17 2HB SER 17 -5.368 -7.810 5.759
107 2HB SER 17 1HB SER 17 -5.187 -9.009 4.482
108 HG SER 17 HG SER 17 -6.655 -7.201 4.011
109 H ALA 18 H ALA 18 -3.910 -9.972 6.562
110 HA ALA 18 HA ALA 18 -3.111 -12.066 5.042
111 1HB ALA 18 1HB ALA 18 -1.982 -10.639 7.078
112 2HB ALA 18 3HB ALA 18 -2.046 -12.264 7.764
113 3HB ALA 18 2HB ALA 18 -1.211 -11.984 6.234
114 H THR 19 H THR 19 -4.859 -12.349 8.115
115 HA THR 19 HA THR 19 -4.594 -15.034 8.643
116 HB THR 19 HB THR 19 -7.177 -13.529 8.886
117 HG1 THR 19 HG1 THR 19 -4.836 -13.508 10.471
118 1HG2 THR 19 3HG2 THR 19 -6.302 -16.146 9.690
119 2HG2 THR 19 2HG2 THR 19 -6.682 -15.169 11.110
120 3HG2 THR 19 1HG2 THR 19 -7.897 -15.408 9.853
121 H GLU 20 H GLU 20 -6.659 -13.509 6.229
122 HA GLU 20 HA GLU 20 -8.193 -15.723 5.489
123 1HB GLU 20 2HB GLU 20 -7.384 -13.145 4.255
124 2HB GLU 20 1HB GLU 20 -8.026 -14.379 3.194
125 1HG GLU 20 2HG GLU 20 -9.720 -12.745 4.133
126 2HG GLU 20 1HG GLU 20 -10.104 -14.447 4.366
127 H TYR 21 H TYR 21 -4.842 -15.109 5.036
128 HA TYR 21 HA TYR 21 -4.656 -17.032 2.823
129 1HB TYR 21 2HB TYR 21 -2.889 -14.888 3.898
130 2HB TYR 21 1HB TYR 21 -2.145 -16.256 3.079
131 HD1 TYR 21 HD1 TYR 21 -2.537 -16.652 0.705
132 HD2 TYR 21 HD2 TYR 21 -4.257 -13.297 2.707
133 HE1 TYR 21 HE1 TYR 21 -3.051 -15.614 -1.471
134 HE2 TYR 21 HE2 TYR 21 -4.770 -12.263 0.528
135 HH TYR 21 HH TYR 21 -4.879 -13.831 -2.277
136 H ILE 22 H ILE 22 -3.709 -16.537 6.181
137 HA ILE 22 HA ILE 22 -2.000 -18.799 6.359
138 HB ILE 22 HB ILE 22 -3.446 -17.093 8.381
139 1HG1 ILE 22 2HG1 ILE 22 -0.504 -17.271 7.645
140 2HG1 ILE 22 1HG1 ILE 22 -1.625 -15.984 7.138
141 1HG2 ILE 22 1HG2 ILE 22 -3.157 -19.282 9.360
142 2HG2 ILE 22 3HG2 ILE 22 -1.441 -19.265 8.953
143 3HG2 ILE 22 2HG2 ILE 22 -2.082 -18.111 10.123
144 1HD1 ILE 22 2HD1 ILE 22 -1.264 -16.605 10.070
145 2HD1 ILE 22 1HD1 ILE 22 -0.068 -15.614 9.231
146 3HD1 ILE 22 3HD1 ILE 22 -1.752 -15.089 9.309
147 H GLY 23 H GLY 23 -5.341 -18.562 5.994
148 1HA GLY 23 2HA GLY 23 -5.783 -21.185 7.284
149 2HA GLY 23 1HA GLY 23 -7.040 -19.966 7.058
150 H TYR 24 H TYR 24 -4.604 -21.588 5.032
151 HA TYR 24 HA TYR 24 -6.687 -22.055 3.017
152 1HB TYR 24 2HB TYR 24 -3.984 -20.959 2.764
153 2HB TYR 24 1HB TYR 24 -4.414 -22.169 1.560
154 HD1 TYR 24 HD1 TYR 24 -6.755 -19.796 3.176
155 HD2 TYR 24 HD2 TYR 24 -4.571 -20.791 -0.354
156 HE1 TYR 24 HE1 TYR 24 -8.030 -18.114 1.910
157 HE2 TYR 24 HE2 TYR 24 -5.845 -19.105 -1.615
158 HH TYR 24 HH TYR 24 -8.534 -17.960 -0.966
159 H ALA 25 H ALA 25 -6.432 -23.981 4.945
160 HA ALA 25 HA ALA 25 -6.137 -26.232 5.230
161 1HB ALA 25 1HB ALA 25 -6.042 -25.886 2.265
162 2HB ALA 25 3HB ALA 25 -5.509 -27.436 2.923
163 3HB ALA 25 2HB ALA 25 -7.143 -26.852 3.249
164 H TRP 26 H TRP 26 -3.736 -25.839 2.615
165 HA TRP 26 HA TRP 26 -1.707 -27.243 3.933
166 1HB TRP 26 2HB TRP 26 -1.768 -25.243 1.685
167 2HB TRP 26 1HB TRP 26 -0.265 -25.951 2.253
168 HD1 TRP 26 1HD TRP 26 -2.645 -26.473 -0.406
169 HE1 TRP 26 1HE TRP 26 -2.645 -28.893 -1.215
170 HE3 TRP 26 3HE TRP 26 -0.146 -28.710 3.464
171 HZ2 TRP 26 2HZ TRP 26 -1.736 -31.413 -0.379
172 HZ3 TRP 26 3HZ TRP 26 0.253 -31.138 3.394
173 HH2 TRP 26 HH2 TRP 26 -0.533 -32.481 1.490
174 H ALA 27 H ALA 27 -2.700 -23.905 3.905
175 HA ALA 27 HA ALA 27 -0.434 -22.813 5.264
176 1HB ALA 27 3HB ALA 27 -2.990 -21.903 4.205
177 2HB ALA 27 2HB ALA 27 -2.627 -21.170 5.769
178 3HB ALA 27 1HB ALA 27 -1.486 -21.004 4.437
179 H MET 28 H MET 28 -3.663 -23.913 6.230
180 HA MET 28 HA MET 28 -3.541 -23.281 8.956
181 1HB MET 28 2HB MET 28 -5.433 -24.297 7.332
182 2HB MET 28 1HB MET 28 -4.882 -25.795 8.063
183 1HG MET 28 2HG MET 28 -6.280 -23.460 9.324
184 2HG MET 28 1HG MET 28 -6.635 -25.168 9.418
185 1HE MET 28 2HE MET 28 -7.129 -24.829 11.942
186 2HE MET 28 1HE MET 28 -5.943 -24.355 13.156
187 3HE MET 28 3HE MET 28 -6.595 -23.152 12.034
188 H VAL 29 H VAL 29 -2.645 -26.215 7.183
189 HA VAL 29 HA VAL 29 -1.822 -27.814 9.316
190 HB VAL 29 HB VAL 29 -0.739 -27.625 6.504
191 1HG1 VAL 29 2HG1 VAL 29 0.068 -29.272 8.770
192 2HG1 VAL 29 1HG1 VAL 29 -0.387 -30.221 7.352
193 3HG1 VAL 29 3HG1 VAL 29 0.875 -28.994 7.225
194 1HG2 VAL 29 3HG2 VAL 29 -3.222 -28.526 7.517
195 2HG2 VAL 29 2HG2 VAL 29 -2.609 -28.646 5.867
196 3HG2 VAL 29 1HG2 VAL 29 -2.311 -29.952 7.016
197 H VAL 30 H VAL 30 -0.175 -25.271 7.547
198 HA VAL 30 HA VAL 30 2.374 -25.601 8.794
199 HB VAL 30 HB VAL 30 1.105 -23.318 7.299
200 1HG1 VAL 30 3HG1 VAL 30 3.502 -23.329 8.882
201 2HG1 VAL 30 2HG1 VAL 30 3.899 -23.087 7.178
202 3HG1 VAL 30 1HG1 VAL 30 2.761 -22.003 7.982
203 1HG2 VAL 30 1HG2 VAL 30 1.891 -25.711 6.325
204 2HG2 VAL 30 3HG2 VAL 30 1.926 -24.210 5.396
205 3HG2 VAL 30 2HG2 VAL 30 3.395 -24.797 6.180
206 H VAL 31 H VAL 31 -0.510 -23.723 9.427
207 HA VAL 31 HA VAL 31 0.528 -22.072 11.479
208 HB VAL 31 HB VAL 31 -1.943 -22.509 10.162
209 1HG1 VAL 31 1HG1 VAL 31 -2.248 -22.498 13.160
210 2HG1 VAL 31 3HG1 VAL 31 -3.554 -22.256 11.997
211 3HG1 VAL 31 2HG1 VAL 31 -2.710 -23.806 12.070
212 1HG2 VAL 31 1HG2 VAL 31 -0.783 -20.369 10.469
213 2HG2 VAL 31 3HG2 VAL 31 -2.463 -20.290 11.006
214 3HG2 VAL 31 2HG2 VAL 31 -1.163 -20.418 12.192
215 H ILE 32 H ILE 32 -1.276 -25.114 11.554
216 HA ILE 32 HA ILE 32 -1.398 -25.566 14.274
217 HB ILE 32 HB ILE 32 -1.179 -27.393 11.908
218 1HG1 ILE 32 2HG1 ILE 32 -3.424 -26.680 13.792
219 2HG1 ILE 32 1HG1 ILE 32 -3.232 -26.137 12.127
220 1HG2 ILE 32 1HG2 ILE 32 -0.212 -28.629 13.787
221 2HG2 ILE 32 3HG2 ILE 32 -1.627 -28.254 14.772
222 3HG2 ILE 32 2HG2 ILE 32 -1.790 -29.287 13.352
223 1HD1 ILE 32 1HD1 ILE 32 -3.085 -28.905 11.941
224 2HD1 ILE 32 3HD1 ILE 32 -4.344 -28.625 13.144
225 3HD1 ILE 32 2HD1 ILE 32 -4.483 -27.905 11.539
226 H VAL 33 H VAL 33 1.280 -26.211 12.030
227 HA VAL 33 HA VAL 33 2.967 -27.680 13.622
228 HB VAL 33 HB VAL 33 3.634 -25.478 11.680
229 1HG1 VAL 33 2HG1 VAL 33 5.362 -27.631 12.883
230 2HG1 VAL 33 1HG1 VAL 33 5.810 -26.684 11.463
231 3HG1 VAL 33 3HG1 VAL 33 5.570 -25.884 13.017
232 1HG2 VAL 33 1HG2 VAL 33 2.543 -28.094 11.348
233 2HG2 VAL 33 3HG2 VAL 33 2.948 -26.900 10.114
234 3HG2 VAL 33 2HG2 VAL 33 4.165 -28.058 10.654
235 H GLY 34 H GLY 34 2.110 -24.322 13.829
236 1HA GLY 34 2HA GLY 34 4.249 -23.487 15.540
237 2HA GLY 34 1HA GLY 34 2.741 -22.618 15.247
238 H ALA 35 H ALA 35 0.801 -24.192 16.134
239 HA ALA 35 HA ALA 35 0.781 -23.899 18.897
240 1HB ALA 35 1HB ALA 35 -0.797 -25.810 17.163
241 2HB ALA 35 3HB ALA 35 -1.158 -25.466 18.855
242 3HB ALA 35 2HB ALA 35 -1.274 -24.182 17.648
243 H THR 36 H THR 36 1.764 -26.637 16.914
244 HA THR 36 HA THR 36 2.002 -28.615 18.864
245 HB THR 36 HB THR 36 3.731 -28.119 16.436
246 HG1 THR 36 HG1 THR 36 1.369 -28.448 16.218
247 1HG2 THR 36 3HG2 THR 36 3.346 -30.634 18.070
248 2HG2 THR 36 2HG2 THR 36 4.254 -30.515 16.561
249 3HG2 THR 36 1HG2 THR 36 4.815 -29.659 17.999
250 H ILE 37 H ILE 37 4.327 -26.133 17.854
251 HA ILE 37 HA ILE 37 6.549 -26.828 19.302
252 HB ILE 37 HB ILE 37 5.461 -24.063 18.907
253 1HG1 ILE 37 2HG1 ILE 37 6.394 -26.105 17.076
254 2HG1 ILE 37 1HG1 ILE 37 5.637 -24.563 16.738
255 1HG2 ILE 37 3HG2 ILE 37 7.416 -24.494 20.545
256 2HG2 ILE 37 2HG2 ILE 37 8.361 -24.828 19.093
257 3HG2 ILE 37 1HG2 ILE 37 7.611 -23.245 19.314
258 1HD1 ILE 37 1HD1 ILE 37 7.832 -23.457 16.929
259 2HD1 ILE 37 3HD1 ILE 37 8.572 -25.024 17.260
260 3HD1 ILE 37 2HD1 ILE 37 7.838 -24.711 15.685
261 H GLY 38 H GLY 38 3.764 -24.924 20.420
262 1HA GLY 38 2HA GLY 38 4.567 -24.220 22.965
263 2HA GLY 38 1HA GLY 38 2.898 -24.594 22.531
264 H ILE 39 H ILE 39 2.930 -27.230 21.994
265 HA ILE 39 HA ILE 39 2.813 -28.468 24.486
266 HB ILE 39 HB ILE 39 3.205 -29.692 21.755
267 1HG1 ILE 39 2HG1 ILE 39 0.719 -29.140 23.383
268 2HG1 ILE 39 1HG1 ILE 39 1.211 -28.305 21.913
269 1HG2 ILE 39 2HG2 ILE 39 2.266 -30.958 24.342
270 2HG2 ILE 39 1HG2 ILE 39 2.242 -31.739 22.759
271 3HG2 ILE 39 3HG2 ILE 39 3.782 -31.301 23.505
272 1HD1 ILE 39 2HD1 ILE 39 1.250 -30.886 21.061
273 2HD1 ILE 39 1HD1 ILE 39 -0.050 -30.951 22.253
274 3HD1 ILE 39 3HD1 ILE 39 -0.147 -29.818 20.904
275 H LYS 40 H LYS 40 5.504 -27.945 22.358
276 HA LYS 40 HA LYS 40 7.214 -29.859 23.734
277 1HB LYS 40 2HB LYS 40 7.332 -29.389 21.250
278 2HB LYS 40 1HB LYS 40 8.018 -27.819 21.662
279 1HG LYS 40 2HG LYS 40 9.585 -29.452 23.156
280 2HG LYS 40 1HG LYS 40 9.227 -30.510 21.794
281 1HD LYS 40 2HD LYS 40 9.818 -27.995 20.681
282 2HD LYS 40 1HD LYS 40 11.028 -28.262 21.934
283 1HE LYS 40 2HE LYS 40 11.224 -30.637 20.867
284 2HE LYS 40 1HE LYS 40 10.464 -29.878 19.470
285 1HZ LYS 40 1HZ LYS 40 12.895 -28.811 20.786
286 2HZ LYS 40 3HZ LYS 40 12.941 -29.877 19.468
287 3HZ LYS 40 2HZ LYS 40 12.233 -28.342 19.294
288 H LEU 41 H LEU 41 7.673 -26.409 22.945
289 HA LEU 41 HA LEU 41 9.619 -25.774 24.754
290 1HB LEU 41 2HB LEU 41 8.598 -23.462 24.790
291 2HB LEU 41 1HB LEU 41 8.899 -24.107 23.173
292 HG LEU 41 HG LEU 41 6.394 -24.986 23.553
293 1HD1 LEU 41 1HD1 LEU 41 6.561 -23.632 25.826
294 2HD1 LEU 41 3HD1 LEU 41 6.125 -22.284 24.775
295 3HD1 LEU 41 2HD1 LEU 41 5.064 -23.689 24.894
296 1HD2 LEU 41 1HD2 LEU 41 7.663 -23.069 21.999
297 2HD2 LEU 41 3HD2 LEU 41 6.017 -23.669 21.785
298 3HD2 LEU 41 2HD2 LEU 41 6.306 -22.205 22.725
299 H PHE 42 H PHE 42 6.188 -26.003 25.350
300 HA PHE 42 HA PHE 42 5.915 -24.931 27.857
301 1HB PHE 42 2HB PHE 42 4.039 -25.792 26.593
302 2HB PHE 42 1HB PHE 42 4.620 -27.435 26.783
303 HD1 PHE 42 HD2 PHE 42 3.423 -24.476 28.685
304 HD2 PHE 42 HD1 PHE 42 3.991 -28.711 28.661
305 HE1 PHE 42 HE2 PHE 42 2.150 -24.662 30.787
306 HE2 PHE 42 HE1 PHE 42 2.718 -28.893 30.761
307 HZ PHE 42 HZ PHE 42 1.797 -26.870 31.825
308 H LYS 43 H LYS 43 6.843 -28.305 27.138
309 HA LYS 43 HA LYS 43 7.127 -29.224 29.707
310 1HB LYS 43 2HB LYS 43 8.415 -30.969 28.830
311 2HB LYS 43 1HB LYS 43 7.209 -30.547 27.626
312 1HG LYS 43 2HG LYS 43 8.791 -30.167 26.163
313 2HG LYS 43 1HG LYS 43 9.511 -28.941 27.190
314 1HD LYS 43 2HD LYS 43 11.280 -30.395 27.069
315 2HD LYS 43 1HD LYS 43 10.433 -31.067 28.463
316 1HE LYS 43 2HE LYS 43 9.173 -32.433 26.557
317 2HE LYS 43 1HE LYS 43 10.674 -32.130 25.689
318 1HZ LYS 43 1HZ LYS 43 11.315 -32.947 28.282
319 2HZ LYS 43 3HZ LYS 43 10.164 -34.034 27.675
320 3HZ LYS 43 2HZ LYS 43 11.606 -33.761 26.821
321 H LYS 44 H LYS 44 9.143 -27.037 27.969
322 HA LYS 44 HA LYS 44 11.285 -27.274 29.965
323 1HB LYS 44 2HB LYS 44 11.159 -25.826 27.319
324 2HB LYS 44 1HB LYS 44 12.532 -25.760 28.419
325 1HG LYS 44 2HG LYS 44 12.412 -28.385 28.294
326 2HG LYS 44 1HG LYS 44 11.517 -28.081 26.803
327 1HD LYS 44 2HD LYS 44 13.669 -28.186 25.968
328 2HD LYS 44 1HD LYS 44 13.526 -26.447 26.254
329 1HE LYS 44 2HE LYS 44 15.002 -28.531 27.889
330 2HE LYS 44 1HE LYS 44 15.642 -27.059 27.168
331 1HZ LYS 44 2HZ LYS 44 13.661 -27.121 29.382
332 2HZ LYS 44 1HZ LYS 44 15.334 -26.920 29.589
333 3HZ LYS 44 3HZ LYS 44 14.440 -25.750 28.749
334 H PHE 45 H PHE 45 8.958 -25.012 28.638
335 HA PHE 45 HA PHE 45 9.780 -22.672 29.937
336 1HB PHE 45 2HB PHE 45 8.082 -22.787 28.132
337 2HB PHE 45 1HB PHE 45 6.955 -23.509 29.273
338 HD1 PHE 45 HD2 PHE 45 8.910 -20.459 28.513
339 HD2 PHE 45 HD1 PHE 45 5.733 -22.171 30.794
340 HE1 PHE 45 HE2 PHE 45 8.209 -18.206 29.226
341 HE2 PHE 45 HE1 PHE 45 5.031 -19.917 31.506
342 HZ PHE 45 HZ PHE 45 6.269 -17.936 30.722
343 H THR 46 H THR 46 8.064 -25.463 31.097
344 HA THR 46 HA THR 46 7.399 -24.151 33.622
345 HB THR 46 HB THR 46 6.394 -26.518 34.036
346 HG1 THR 46 HG1 THR 46 5.967 -27.651 32.175
347 1HG2 THR 46 1HG2 THR 46 5.154 -24.373 33.619
348 2HG2 THR 46 3HG2 THR 46 5.147 -24.786 31.904
349 3HG2 THR 46 2HG2 THR 46 4.321 -25.827 33.066
350 H SER 47 H SER 47 10.171 -24.836 32.766
351 HA SER 47 HA SER 47 10.912 -26.923 34.693
352 1HB SER 47 2HB SER 47 12.698 -25.423 32.781
353 2HB SER 47 1HB SER 47 13.076 -26.901 33.661
354 HG SER 47 HG SER 47 11.979 -28.023 32.212
355 H LYS 48 H LYS 48 11.303 -26.291 36.699
356 HA LYS 48 HA LYS 48 11.669 -23.666 37.509
357 1HB LYS 48 2HB LYS 48 12.479 -26.034 39.151
358 2HB LYS 48 1HB LYS 48 11.845 -24.488 39.702
359 1HG LYS 48 2HG LYS 48 10.368 -26.770 38.406
360 2HG LYS 48 1HG LYS 48 10.047 -25.987 39.946
361 1HD LYS 48 2HD LYS 48 9.603 -24.816 37.196
362 2HD LYS 48 1HD LYS 48 8.368 -25.310 38.347
363 1HE LYS 48 2HE LYS 48 10.398 -23.247 39.126
364 2HE LYS 48 1HE LYS 48 9.008 -22.787 38.147
365 1HZ LYS 48 1HZ LYS 48 7.767 -24.139 40.017
366 2HZ LYS 48 3HZ LYS 48 9.121 -23.672 40.926
367 3HZ LYS 48 2HZ LYS 48 8.139 -22.491 40.198
368 H ALA 49 H ALA 49 13.480 -23.313 35.857
369 HA ALA 49 HA ALA 49 16.081 -24.348 36.395
370 1HB ALA 49 3HB ALA 49 14.801 -22.640 34.482
371 2HB ALA 49 2HB ALA 49 16.298 -21.886 35.041
372 3HB ALA 49 1HB ALA 49 16.332 -23.507 34.341
373 H SER 50 H SER 50 17.197 -23.894 38.179
374 HA SER 50 HA SER 50 16.924 -21.217 39.397
375 1HB SER 50 2HB SER 50 17.994 -23.730 40.679
376 2HB SER 50 1HB SER 50 17.626 -22.204 41.475
377 HG SER 50 HG SER 50 15.953 -23.858 41.654
No H/Q in entry = 377
Start of MODEL 19
1 1H ALA 1 3H ALA 1 -13.629 -34.991 36.443
2 2H ALA 1 2H ALA 1 -14.624 -34.480 37.721
3 3H ALA 1 1H ALA 1 -14.049 -36.077 37.676
4 HA ALA 1 HA ALA 1 -16.163 -36.383 36.926
5 1HB ALA 1 3HB ALA 1 -16.747 -33.986 36.911
6 2HB ALA 1 2HB ALA 1 -15.903 -33.801 35.371
7 3HB ALA 1 1HB ALA 1 -17.344 -34.814 35.471
8 H GLU 2 H GLU 2 -14.057 -34.815 34.516
9 HA GLU 2 HA GLU 2 -13.571 -37.287 33.143
10 1HB GLU 2 2HB GLU 2 -14.670 -36.740 31.053
11 2HB GLU 2 1HB GLU 2 -15.857 -36.769 32.355
12 1HG GLU 2 2HG GLU 2 -15.354 -34.205 32.501
13 2HG GLU 2 1HG GLU 2 -14.744 -34.421 30.860
14 H GLY 3 H GLY 3 -11.587 -37.128 32.345
15 1HA GLY 3 2HA GLY 3 -9.843 -35.112 32.536
16 2HA GLY 3 1HA GLY 3 -9.743 -36.302 31.247
17 H ASP 4 H ASP 4 -8.824 -33.708 30.898
18 HA ASP 4 HA ASP 4 -10.719 -31.969 29.682
19 1HB ASP 4 2HB ASP 4 -8.026 -31.839 30.407
20 2HB ASP 4 1HB ASP 4 -8.026 -31.664 28.650
21 H ASP 5 H ASP 5 -11.904 -33.299 28.195
22 HA ASP 5 HA ASP 5 -10.360 -33.961 25.780
23 1HB ASP 5 2HB ASP 5 -11.672 -35.772 27.308
24 2HB ASP 5 1HB ASP 5 -12.935 -35.319 26.163
25 HA PRO 6 HA PRO 6 -13.876 -30.944 24.803
26 1HB PRO 6 2HB PRO 6 -12.379 -28.734 24.326
27 2HB PRO 6 1HB PRO 6 -13.070 -29.102 25.917
28 1HG PRO 6 2HG PRO 6 -10.286 -29.508 24.928
29 2HG PRO 6 1HG PRO 6 -10.846 -28.960 26.517
30 1HD PRO 6 2HD PRO 6 -10.008 -31.493 26.015
31 2HD PRO 6 1HD PRO 6 -11.205 -31.089 27.263
32 H ALA 7 H ALA 7 -10.784 -31.906 23.652
33 HA ALA 7 HA ALA 7 -10.854 -30.897 21.013
34 1HB ALA 7 3HB ALA 7 -8.920 -31.996 22.463
35 2HB ALA 7 2HB ALA 7 -9.474 -33.467 21.658
36 3HB ALA 7 1HB ALA 7 -8.909 -32.097 20.699
37 H LYS 8 H LYS 8 -12.252 -33.713 22.565
38 HA LYS 8 HA LYS 8 -12.801 -35.193 20.195
39 1HB LYS 8 2HB LYS 8 -14.228 -36.547 21.570
40 2HB LYS 8 1HB LYS 8 -12.793 -36.137 22.506
41 1HG LYS 8 2HG LYS 8 -14.157 -35.388 24.112
42 2HG LYS 8 1HG LYS 8 -14.606 -34.072 23.029
43 1HD LYS 8 2HD LYS 8 -16.626 -34.980 22.548
44 2HD LYS 8 1HD LYS 8 -15.991 -36.621 22.507
45 1HE LYS 8 2HE LYS 8 -17.660 -35.741 24.422
46 2HE LYS 8 1HE LYS 8 -16.467 -37.003 24.702
47 1HZ LYS 8 2HZ LYS 8 -15.755 -34.173 25.112
48 2HZ LYS 8 1HZ LYS 8 -16.616 -35.015 26.311
49 3HZ LYS 8 3HZ LYS 8 -15.085 -35.562 25.825
50 H ALA 9 H ALA 9 -14.377 -32.556 21.824
51 HA ALA 9 HA ALA 9 -16.844 -32.812 20.306
52 1HB ALA 9 3HB ALA 9 -15.871 -30.690 22.229
53 2HB ALA 9 2HB ALA 9 -17.476 -30.727 21.493
54 3HB ALA 9 1HB ALA 9 -16.980 -32.013 22.595
55 H ALA 10 H ALA 10 -14.265 -30.363 20.610
56 HA ALA 10 HA ALA 10 -15.012 -28.594 18.644
57 1HB ALA 10 1HB ALA 10 -12.518 -29.336 19.968
58 2HB ALA 10 3HB ALA 10 -12.272 -28.715 18.335
59 3HB ALA 10 2HB ALA 10 -13.133 -27.740 19.528
60 H PHE 11 H PHE 11 -13.479 -31.741 18.265
61 HA PHE 11 HA PHE 11 -12.683 -31.574 15.598
62 1HB PHE 11 2HB PHE 11 -12.270 -33.448 17.294
63 2HB PHE 11 1HB PHE 11 -13.851 -34.055 16.831
64 HD1 PHE 11 HD1 PHE 11 -11.312 -32.450 14.644
65 HD2 PHE 11 HD2 PHE 11 -13.249 -36.129 15.704
66 HE1 PHE 11 HE1 PHE 11 -10.268 -33.571 12.722
67 HE2 PHE 11 HE2 PHE 11 -12.199 -37.222 13.778
68 HZ PHE 11 HZ PHE 11 -10.709 -35.953 12.287
69 H ASN 12 H ASN 12 -15.816 -32.569 16.961
70 HA ASN 12 HA ASN 12 -17.032 -32.975 14.390
71 1HB ASN 12 2HB ASN 12 -17.671 -33.993 16.688
72 2HB ASN 12 1HB ASN 12 -18.570 -32.493 16.919
73 1HD2 ASN 12 2HD2 ASN 12 -20.256 -35.403 14.875
74 2HD2 ASN 12 1HD2 ASN 12 -18.968 -35.556 16.017
75 H SER 13 H SER 13 -16.574 -30.242 16.482
76 HA SER 13 HA SER 13 -18.707 -28.628 15.502
77 1HB SER 13 2HB SER 13 -16.250 -27.349 16.550
78 2HB SER 13 1HB SER 13 -17.934 -27.042 16.943
79 HG SER 13 HG SER 13 -17.895 -28.645 18.398
80 H LEU 14 H LEU 14 -15.475 -29.330 14.422
81 HA LEU 14 HA LEU 14 -14.872 -27.146 12.839
82 1HB LEU 14 2HB LEU 14 -13.291 -28.943 13.175
83 2HB LEU 14 1HB LEU 14 -14.333 -30.070 12.316
84 HG LEU 14 HG LEU 14 -14.087 -28.683 10.292
85 1HD1 LEU 14 2HD1 LEU 14 -13.509 -26.578 11.604
86 2HD1 LEU 14 1HD1 LEU 14 -11.865 -27.216 11.682
87 3HD1 LEU 14 3HD1 LEU 14 -12.604 -26.867 10.118
88 1HD2 LEU 14 3HD2 LEU 14 -12.636 -30.623 10.584
89 2HD2 LEU 14 2HD2 LEU 14 -11.787 -29.326 9.742
90 3HD2 LEU 14 1HD2 LEU 14 -11.464 -29.625 11.449
91 H GLN 15 H GLN 15 -17.296 -29.556 12.383
92 HA GLN 15 HA GLN 15 -17.702 -29.215 9.583
93 1HB GLN 15 2HB GLN 15 -18.482 -31.140 11.104
94 2HB GLN 15 1HB GLN 15 -19.823 -30.080 11.528
95 1HG GLN 15 2HG GLN 15 -20.568 -31.472 9.730
96 2HG GLN 15 1HG GLN 15 -20.305 -29.860 9.061
97 1HE2 GLN 15 2HD2 GLN 15 -18.298 -31.255 6.562
98 2HE2 GLN 15 1HD2 GLN 15 -19.619 -30.228 7.011
99 H ALA 16 H ALA 16 -18.652 -27.451 12.403
100 HA ALA 16 HA ALA 16 -20.714 -25.944 10.981
101 1HB ALA 16 3HB ALA 16 -19.782 -26.058 13.837
102 2HB ALA 16 2HB ALA 16 -20.848 -24.771 13.266
103 3HB ALA 16 1HB ALA 16 -21.371 -26.455 13.179
104 H SER 17 H SER 17 -17.645 -25.401 12.639
105 HA SER 17 HA SER 17 -17.489 -22.640 11.754
106 1HB SER 17 2HB SER 17 -16.675 -23.526 13.993
107 2HB SER 17 1HB SER 17 -15.340 -24.253 13.105
108 HG SER 17 HG SER 17 -16.030 -21.483 13.100
109 H ALA 18 H ALA 18 -16.777 -25.612 10.381
110 HA ALA 18 HA ALA 18 -14.394 -25.650 9.170
111 1HB ALA 18 1HB ALA 18 -17.093 -26.438 8.337
112 2HB ALA 18 3HB ALA 18 -15.958 -26.212 7.005
113 3HB ALA 18 2HB ALA 18 -15.582 -27.351 8.301
114 H THR 19 H THR 19 -17.055 -23.531 8.141
115 HA THR 19 HA THR 19 -15.903 -22.461 5.849
116 HB THR 19 HB THR 19 -17.324 -20.479 7.449
117 HG1 THR 19 HG1 THR 19 -19.257 -21.652 7.543
118 1HG2 THR 19 3HG2 THR 19 -17.002 -20.494 4.953
119 2HG2 THR 19 2HG2 THR 19 -18.137 -21.846 4.885
120 3HG2 THR 19 1HG2 THR 19 -18.669 -20.275 5.489
121 H GLU 20 H GLU 20 -15.589 -21.384 9.213
122 HA GLU 20 HA GLU 20 -13.957 -19.161 8.743
123 1HB GLU 20 2HB GLU 20 -14.610 -20.924 11.044
124 2HB GLU 20 1HB GLU 20 -13.181 -19.921 11.181
125 1HG GLU 20 2HG GLU 20 -15.317 -18.907 12.082
126 2HG GLU 20 1HG GLU 20 -14.451 -17.913 10.918
127 H TYR 21 H TYR 21 -13.280 -22.511 8.430
128 HA TYR 21 HA TYR 21 -10.408 -22.159 8.818
129 1HB TYR 21 2HB TYR 21 -12.257 -24.471 8.615
130 2HB TYR 21 1HB TYR 21 -10.592 -24.707 8.097
131 HD1 TYR 21 HD1 TYR 21 -12.688 -23.580 10.948
132 HD2 TYR 21 HD2 TYR 21 -8.880 -25.018 9.667
133 HE1 TYR 21 HE1 TYR 21 -12.000 -23.856 13.298
134 HE2 TYR 21 HE2 TYR 21 -8.195 -25.293 12.019
135 HH TYR 21 HH TYR 21 -8.957 -25.382 14.164
136 H ILE 22 H ILE 22 -12.645 -21.919 6.264
137 HA ILE 22 HA ILE 22 -11.505 -23.082 4.080
138 HB ILE 22 HB ILE 22 -12.975 -20.523 4.589
139 1HG1 ILE 22 2HG1 ILE 22 -14.047 -22.884 4.517
140 2HG1 ILE 22 1HG1 ILE 22 -14.765 -21.636 3.465
141 1HG2 ILE 22 3HG2 ILE 22 -11.799 -21.333 1.938
142 2HG2 ILE 22 2HG2 ILE 22 -13.165 -20.226 2.102
143 3HG2 ILE 22 1HG2 ILE 22 -11.602 -19.811 2.808
144 1HD1 ILE 22 1HD1 ILE 22 -13.451 -22.533 1.553
145 2HD1 ILE 22 3HD1 ILE 22 -12.799 -23.789 2.610
146 3HD1 ILE 22 2HD1 ILE 22 -14.526 -23.753 2.244
147 H GLY 23 H GLY 23 -10.589 -19.968 5.545
148 1HA GLY 23 2HA GLY 23 -8.293 -19.722 3.757
149 2HA GLY 23 1HA GLY 23 -8.830 -18.531 4.943
150 H TYR 24 H TYR 24 -8.998 -20.121 7.201
151 HA TYR 24 HA TYR 24 -6.188 -20.430 7.878
152 1HB TYR 24 2HB TYR 24 -8.549 -20.838 9.683
153 2HB TYR 24 1HB TYR 24 -6.903 -20.413 10.116
154 HD1 TYR 24 HD1 TYR 24 -6.237 -18.217 8.381
155 HD2 TYR 24 HD2 TYR 24 -9.943 -19.106 10.302
156 HE1 TYR 24 HE1 TYR 24 -6.844 -15.831 8.320
157 HE2 TYR 24 HE2 TYR 24 -10.546 -16.720 10.238
158 HH TYR 24 HH TYR 24 -9.343 -14.562 8.353
159 H ALA 25 H ALA 25 -6.793 -22.410 6.095
160 HA ALA 25 HA ALA 25 -7.273 -24.804 7.758
161 1HB ALA 25 2HB ALA 25 -7.833 -24.140 4.893
162 2HB ALA 25 1HB ALA 25 -7.481 -25.818 5.310
163 3HB ALA 25 3HB ALA 25 -8.845 -24.988 6.063
164 H TRP 26 H TRP 26 -5.495 -24.136 4.725
165 HA TRP 26 HA TRP 26 -3.552 -26.114 5.136
166 1HB TRP 26 2HB TRP 26 -3.754 -23.663 3.415
167 2HB TRP 26 1HB TRP 26 -2.299 -24.645 3.432
168 HD1 TRP 26 1HD TRP 26 -5.241 -24.281 1.401
169 HE1 TRP 26 1HE TRP 26 -5.847 -26.448 0.196
170 HE3 TRP 26 3HE TRP 26 -2.414 -27.622 4.073
171 HZ2 TRP 26 2HZ TRP 26 -5.252 -29.184 0.316
172 HZ3 TRP 26 3HZ TRP 26 -2.485 -30.005 3.468
173 HH2 TRP 26 HH2 TRP 26 -3.890 -30.784 1.606
174 H ALA 27 H ALA 27 -3.478 -22.596 5.665
175 HA ALA 27 HA ALA 27 -0.846 -22.442 6.661
176 1HB ALA 27 1HB ALA 27 -2.808 -20.625 6.096
177 2HB ALA 27 3HB ALA 27 -2.796 -20.590 7.860
178 3HB ALA 27 2HB ALA 27 -1.317 -20.248 6.962
179 H MET 28 H MET 28 -3.879 -23.384 8.109
180 HA MET 28 HA MET 28 -3.067 -23.229 10.826
181 1HB MET 28 2HB MET 28 -5.446 -23.355 9.953
182 2HB MET 28 1HB MET 28 -5.147 -25.045 9.577
183 1HG MET 28 2HG MET 28 -6.346 -24.513 11.768
184 2HG MET 28 1HG MET 28 -5.023 -25.656 11.817
185 1HE MET 28 2HE MET 28 -5.091 -21.715 11.628
186 2HE MET 28 1HE MET 28 -6.334 -22.114 12.813
187 3HE MET 28 3HE MET 28 -4.852 -21.291 13.323
188 H VAL 29 H VAL 29 -3.121 -25.735 8.347
189 HA VAL 29 HA VAL 29 -2.207 -27.913 9.876
190 HB VAL 29 HB VAL 29 -1.779 -27.271 6.957
191 1HG1 VAL 29 1HG1 VAL 29 -0.300 -29.067 8.062
192 2HG1 VAL 29 3HG1 VAL 29 -1.781 -30.023 8.153
193 3HG1 VAL 29 2HG1 VAL 29 -1.168 -29.490 6.585
194 1HG2 VAL 29 3HG2 VAL 29 -4.166 -27.538 8.107
195 2HG2 VAL 29 2HG2 VAL 29 -3.825 -28.160 6.491
196 3HG2 VAL 29 1HG2 VAL 29 -3.791 -29.248 7.882
197 H VAL 30 H VAL 30 -0.544 -25.382 8.080
198 HA VAL 30 HA VAL 30 2.104 -26.327 8.569
199 HB VAL 30 HB VAL 30 1.030 -23.618 7.815
200 1HG1 VAL 30 2HG1 VAL 30 3.834 -24.609 8.143
201 2HG1 VAL 30 1HG1 VAL 30 3.462 -23.357 6.956
202 3HG1 VAL 30 3HG1 VAL 30 3.118 -23.082 8.663
203 1HG2 VAL 30 3HG2 VAL 30 1.952 -26.000 6.271
204 2HG2 VAL 30 2HG2 VAL 30 0.551 -24.959 6.003
205 3HG2 VAL 30 1HG2 VAL 30 2.169 -24.387 5.590
206 H VAL 31 H VAL 31 -0.076 -24.042 10.110
207 HA VAL 31 HA VAL 31 1.665 -22.979 12.034
208 HB VAL 31 HB VAL 31 -1.070 -22.819 11.371
209 1HG1 VAL 31 1HG1 VAL 31 -0.673 -23.476 14.283
210 2HG1 VAL 31 3HG1 VAL 31 -2.128 -22.735 13.613
211 3HG1 VAL 31 2HG1 VAL 31 -1.656 -24.367 13.119
212 1HG2 VAL 31 1HG2 VAL 31 0.924 -21.317 12.931
213 2HG2 VAL 31 3HG2 VAL 31 -0.185 -20.770 11.672
214 3HG2 VAL 31 2HG2 VAL 31 -0.761 -20.973 13.327
215 H ILE 32 H ILE 32 -0.562 -25.725 12.202
216 HA ILE 32 HA ILE 32 -0.117 -26.630 14.759
217 HB ILE 32 HB ILE 32 -0.687 -28.045 12.178
218 1HG1 ILE 32 2HG1 ILE 32 -2.341 -27.494 14.640
219 2HG1 ILE 32 1HG1 ILE 32 -2.437 -26.635 13.107
220 1HG2 ILE 32 3HG2 ILE 32 0.194 -29.272 14.663
221 2HG2 ILE 32 2HG2 ILE 32 -1.416 -29.821 14.187
222 3HG2 ILE 32 1HG2 ILE 32 -0.056 -30.001 13.075
223 1HD1 ILE 32 2HD1 ILE 32 -2.733 -29.571 12.937
224 2HD1 ILE 32 1HD1 ILE 32 -4.040 -28.718 13.759
225 3HD1 ILE 32 3HD1 ILE 32 -3.616 -28.295 12.098
226 H VAL 33 H VAL 33 1.800 -27.362 11.841
227 HA VAL 33 HA VAL 33 3.628 -29.103 13.001
228 HB VAL 33 HB VAL 33 3.895 -27.176 10.704
229 1HG1 VAL 33 2HG1 VAL 33 5.733 -29.430 11.509
230 2HG1 VAL 33 1HG1 VAL 33 5.833 -28.517 10.001
231 3HG1 VAL 33 3HG1 VAL 33 6.114 -27.708 11.544
232 1HG2 VAL 33 2HG2 VAL 33 2.885 -29.931 11.055
233 2HG2 VAL 33 1HG2 VAL 33 2.397 -28.682 9.908
234 3HG2 VAL 33 3HG2 VAL 33 3.856 -29.630 9.612
235 H GLY 34 H GLY 34 3.888 -25.591 12.465
236 1HA GLY 34 2HA GLY 34 6.356 -25.262 13.822
237 2HA GLY 34 1HA GLY 34 5.196 -23.979 13.462
238 H ALA 35 H ALA 35 3.024 -25.362 14.856
239 HA ALA 35 HA ALA 35 3.453 -24.294 17.481
240 1HB ALA 35 3HB ALA 35 1.221 -25.505 15.975
241 2HB ALA 35 2HB ALA 35 1.178 -25.755 17.722
242 3HB ALA 35 1HB ALA 35 1.230 -24.117 17.065
243 H THR 36 H THR 36 3.364 -27.507 16.035
244 HA THR 36 HA THR 36 3.302 -29.178 18.210
245 HB THR 36 HB THR 36 4.991 -29.379 15.713
246 HG1 THR 36 HG1 THR 36 2.650 -30.828 16.290
247 1HG2 THR 36 3HG2 THR 36 4.990 -31.046 18.068
248 2HG2 THR 36 2HG2 THR 36 4.394 -31.949 16.672
249 3HG2 THR 36 1HG2 THR 36 5.977 -31.172 16.609
250 H ILE 37 H ILE 37 6.205 -27.651 16.823
251 HA ILE 37 HA ILE 37 8.030 -28.570 18.749
252 HB ILE 37 HB ILE 37 8.122 -26.059 17.118
253 1HG1 ILE 37 2HG1 ILE 37 8.149 -28.870 16.409
254 2HG1 ILE 37 1HG1 ILE 37 8.052 -27.456 15.381
255 1HG2 ILE 37 1HG2 ILE 37 9.769 -26.154 18.948
256 2HG2 ILE 37 3HG2 ILE 37 10.345 -27.707 18.340
257 3HG2 ILE 37 2HG2 ILE 37 10.542 -26.249 17.364
258 1HD1 ILE 37 1HD1 ILE 37 10.603 -28.582 16.522
259 2HD1 ILE 37 3HD1 ILE 37 10.010 -28.892 14.889
260 3HD1 ILE 37 2HD1 ILE 37 10.469 -27.255 15.366
261 H GLY 38 H GLY 38 5.751 -25.945 18.726
262 1HA GLY 38 2HA GLY 38 6.921 -24.531 20.965
263 2HA GLY 38 1HA GLY 38 5.393 -24.161 20.170
264 H ILE 39 H ILE 39 4.186 -26.720 20.419
265 HA ILE 39 HA ILE 39 2.953 -26.515 22.917
266 HB ILE 39 HB ILE 39 3.208 -28.898 21.082
267 1HG1 ILE 39 2HG1 ILE 39 1.016 -26.841 21.409
268 2HG1 ILE 39 1HG1 ILE 39 2.155 -26.928 20.069
269 1HG2 ILE 39 1HG2 ILE 39 2.582 -29.603 23.357
270 2HG2 ILE 39 3HG2 ILE 39 1.268 -28.426 23.361
271 3HG2 ILE 39 2HG2 ILE 39 1.225 -29.788 22.240
272 1HD1 ILE 39 3HD1 ILE 39 0.994 -29.497 20.315
273 2HD1 ILE 39 2HD1 ILE 39 -0.326 -28.329 20.413
274 3HD1 ILE 39 1HD1 ILE 39 0.756 -28.323 19.018
275 H LYS 40 H LYS 40 5.877 -28.140 21.952
276 HA LYS 40 HA LYS 40 6.110 -29.750 24.335
277 1HB LYS 40 2HB LYS 40 7.221 -29.947 21.897
278 2HB LYS 40 1HB LYS 40 8.514 -29.087 22.729
279 1HG LYS 40 2HG LYS 40 7.661 -31.131 24.479
280 2HG LYS 40 1HG LYS 40 7.796 -31.867 22.885
281 1HD LYS 40 2HD LYS 40 9.958 -32.112 23.644
282 2HD LYS 40 1HD LYS 40 10.083 -30.559 22.822
283 1HE LYS 40 2HE LYS 40 9.418 -29.608 25.185
284 2HE LYS 40 1HE LYS 40 10.024 -31.160 25.752
285 1HZ LYS 40 3HZ LYS 40 11.762 -29.888 23.858
286 2HZ LYS 40 2HZ LYS 40 11.522 -28.959 25.261
287 3HZ LYS 40 1HZ LYS 40 12.115 -30.547 25.380
288 H LEU 41 H LEU 41 7.917 -26.942 23.074
289 HA LEU 41 HA LEU 41 9.342 -26.466 25.464
290 1HB LEU 41 2HB LEU 41 9.775 -24.209 24.504
291 2HB LEU 41 1HB LEU 41 10.147 -25.513 23.379
292 HG LEU 41 HG LEU 41 7.640 -25.065 22.639
293 1HD1 LEU 41 3HD1 LEU 41 7.809 -23.115 24.515
294 2HD1 LEU 41 2HD1 LEU 41 8.303 -22.228 23.072
295 3HD1 LEU 41 1HD1 LEU 41 6.741 -23.048 23.113
296 1HD2 LEU 41 1HD2 LEU 41 10.082 -23.484 21.845
297 2HD2 LEU 41 3HD2 LEU 41 9.462 -24.962 21.104
298 3HD2 LEU 41 2HD2 LEU 41 8.566 -23.449 20.942
299 H PHE 42 H PHE 42 6.372 -25.097 24.194
300 HA PHE 42 HA PHE 42 5.841 -23.241 26.238
301 1HB PHE 42 2HB PHE 42 4.673 -23.410 24.018
302 2HB PHE 42 1HB PHE 42 3.798 -24.795 24.651
303 HD1 PHE 42 HD2 PHE 42 4.228 -21.161 24.820
304 HD2 PHE 42 HD1 PHE 42 2.093 -24.527 26.352
305 HE1 PHE 42 HE2 PHE 42 2.561 -19.648 25.822
306 HE2 PHE 42 HE1 PHE 42 0.426 -23.013 27.354
307 HZ PHE 42 HZ PHE 42 0.660 -20.574 27.090
308 H LYS 43 H LYS 43 5.034 -26.654 25.894
309 HA LYS 43 HA LYS 43 3.258 -27.344 27.718
310 1HB LYS 43 2HB LYS 43 5.293 -28.693 26.506
311 2HB LYS 43 1HB LYS 43 5.767 -28.814 28.193
312 1HG LYS 43 2HG LYS 43 3.078 -29.584 27.082
313 2HG LYS 43 1HG LYS 43 4.374 -30.712 27.440
314 1HD LYS 43 2HD LYS 43 4.080 -30.545 29.709
315 2HD LYS 43 1HD LYS 43 3.499 -28.886 29.623
316 1HE LYS 43 2HE LYS 43 1.516 -29.918 30.101
317 2HE LYS 43 1HE LYS 43 1.477 -30.064 28.346
318 1HZ LYS 43 1HZ LYS 43 2.872 -32.248 29.113
319 2HZ LYS 43 3HZ LYS 43 1.723 -32.101 30.352
320 3HZ LYS 43 2HZ LYS 43 1.216 -32.222 28.735
321 H LYS 44 H LYS 44 6.623 -27.201 28.843
322 HA LYS 44 HA LYS 44 5.628 -26.558 31.521
323 1HB LYS 44 2HB LYS 44 8.394 -27.435 30.726
324 2HB LYS 44 1HB LYS 44 7.705 -27.412 32.348
325 1HG LYS 44 2HG LYS 44 6.190 -29.231 31.814
326 2HG LYS 44 1HG LYS 44 6.511 -29.046 30.085
327 1HD LYS 44 2HD LYS 44 7.816 -30.898 30.584
328 2HD LYS 44 1HD LYS 44 9.001 -29.593 30.723
329 1HE LYS 44 2HE LYS 44 7.619 -31.153 32.922
330 2HE LYS 44 1HE LYS 44 9.346 -30.938 32.656
331 1HZ LYS 44 2HZ LYS 44 9.033 -28.559 33.175
332 2HZ LYS 44 1HZ LYS 44 7.413 -28.883 33.575
333 3HZ LYS 44 3HZ LYS 44 8.664 -29.587 34.476
334 H PHE 45 H PHE 45 8.456 -25.677 29.557
335 HA PHE 45 HA PHE 45 9.811 -23.796 29.669
336 1HB PHE 45 2HB PHE 45 8.265 -23.195 27.956
337 2HB PHE 45 1HB PHE 45 7.040 -22.729 29.126
338 HD1 PHE 45 HD2 PHE 45 10.682 -21.942 28.895
339 HD2 PHE 45 HD1 PHE 45 6.682 -20.451 28.875
340 HE1 PHE 45 HE2 PHE 45 11.543 -19.634 28.833
341 HE2 PHE 45 HE1 PHE 45 7.543 -18.143 28.814
342 HZ PHE 45 HZ PHE 45 9.973 -17.733 28.792
343 H THR 46 H THR 46 9.863 -24.400 32.136
344 HA THR 46 HA THR 46 9.426 -21.899 33.576
345 HB THR 46 HB THR 46 8.664 -23.358 35.560
346 HG1 THR 46 HG1 THR 46 8.778 -25.395 34.931
347 1HG2 THR 46 3HG2 THR 46 7.051 -22.531 33.187
348 2HG2 THR 46 2HG2 THR 46 6.265 -23.433 34.485
349 3HG2 THR 46 1HG2 THR 46 7.046 -21.888 34.830
350 H SER 47 H SER 47 10.630 -25.236 33.916
351 HA SER 47 HA SER 47 13.072 -24.127 35.162
352 1HB SER 47 2HB SER 47 12.459 -26.885 35.881
353 2HB SER 47 1HB SER 47 12.913 -25.528 36.906
354 HG SER 47 HG SER 47 10.379 -26.434 36.128
355 H LYS 48 H LYS 48 15.000 -24.971 34.514
356 HA LYS 48 HA LYS 48 16.442 -25.685 32.844
357 1HB LYS 48 2HB LYS 48 15.043 -28.221 33.652
358 2HB LYS 48 1HB LYS 48 16.652 -28.120 32.948
359 1HG LYS 48 2HG LYS 48 17.176 -28.309 35.187
360 2HG LYS 48 1HG LYS 48 17.081 -26.556 35.062
361 1HD LYS 48 2HD LYS 48 14.823 -26.571 35.917
362 2HD LYS 48 1HD LYS 48 14.791 -28.329 35.907
363 1HE LYS 48 2HE LYS 48 15.288 -26.973 38.128
364 2HE LYS 48 1HE LYS 48 16.095 -28.501 37.795
365 1HZ LYS 48 2HZ LYS 48 17.200 -25.805 37.216
366 2HZ LYS 48 1HZ LYS 48 17.641 -26.790 38.527
367 3HZ LYS 48 3HZ LYS 48 17.988 -27.284 36.943
368 H ALA 49 H ALA 49 15.537 -24.696 30.988
369 HA ALA 49 HA ALA 49 13.455 -25.777 29.429
370 1HB ALA 49 1HB ALA 49 15.263 -23.588 29.329
371 2HB ALA 49 3HB ALA 49 15.330 -24.416 27.772
372 3HB ALA 49 2HB ALA 49 13.785 -23.828 28.393
373 H SER 50 H SER 50 14.536 -25.935 26.862
374 HA SER 50 HA SER 50 15.401 -27.444 25.372
375 1HB SER 50 2HB SER 50 17.413 -28.495 27.260
376 2HB SER 50 1HB SER 50 17.607 -27.906 25.613
377 HG SER 50 HG SER 50 17.842 -25.889 26.358
No H/Q in entry = 377
Start of MODEL 20
1 1H ALA 1 1H ALA 1 -38.014 -10.078 15.723
2 2H ALA 1 3H ALA 1 -39.541 -9.449 15.337
3 3H ALA 1 2H ALA 1 -39.045 -10.933 14.677
4 HA ALA 1 HA ALA 1 -38.814 -9.364 12.968
5 1HB ALA 1 3HB ALA 1 -38.877 -7.370 14.457
6 2HB ALA 1 2HB ALA 1 -37.195 -7.686 14.893
7 3HB ALA 1 1HB ALA 1 -37.614 -7.277 13.228
8 H GLU 2 H GLU 2 -37.060 -9.349 11.522
9 HA GLU 2 HA GLU 2 -34.622 -10.707 12.494
10 1HB GLU 2 2HB GLU 2 -35.864 -12.364 11.305
11 2HB GLU 2 1HB GLU 2 -36.247 -11.244 10.004
12 1HG GLU 2 2HG GLU 2 -34.449 -12.955 9.483
13 2HG GLU 2 1HG GLU 2 -33.996 -11.275 9.195
14 H GLY 3 H GLY 3 -33.187 -9.070 12.479
15 1HA GLY 3 2HA GLY 3 -33.046 -6.773 11.110
16 2HA GLY 3 1HA GLY 3 -31.608 -7.669 11.567
17 H ASP 4 H ASP 4 -31.604 -6.086 9.310
18 HA ASP 4 HA ASP 4 -31.710 -8.028 7.081
19 1HB ASP 4 2HB ASP 4 -32.390 -5.170 7.293
20 2HB ASP 4 1HB ASP 4 -31.446 -5.607 5.865
21 H ASP 5 H ASP 5 -29.539 -8.692 8.086
22 HA ASP 5 HA ASP 5 -27.448 -6.943 6.983
23 1HB ASP 5 2HB ASP 5 -27.698 -7.538 9.608
24 2HB ASP 5 1HB ASP 5 -26.673 -8.868 9.072
25 HA PRO 6 HA PRO 6 -27.263 -11.272 5.089
26 1HB PRO 6 2HB PRO 6 -28.157 -10.665 2.605
27 2HB PRO 6 1HB PRO 6 -29.228 -11.213 3.905
28 1HG PRO 6 2HG PRO 6 -28.755 -8.454 2.891
29 2HG PRO 6 1HG PRO 6 -30.263 -9.211 3.426
30 1HD PRO 6 2HD PRO 6 -28.809 -7.489 4.951
31 2HD PRO 6 1HD PRO 6 -29.856 -8.757 5.622
32 H ALA 7 H ALA 7 -26.379 -8.028 4.433
33 HA ALA 7 HA ALA 7 -24.504 -8.473 2.321
34 1HB ALA 7 1HB ALA 7 -25.739 -6.266 3.295
35 2HB ALA 7 3HB ALA 7 -24.174 -6.127 4.099
36 3HB ALA 7 2HB ALA 7 -24.255 -6.208 2.338
37 H LYS 8 H LYS 8 -24.415 -8.542 5.816
38 HA LYS 8 HA LYS 8 -21.701 -8.229 6.320
39 1HB LYS 8 2HB LYS 8 -22.074 -9.423 8.371
40 2HB LYS 8 1HB LYS 8 -23.495 -8.438 8.036
41 1HG LYS 8 2HG LYS 8 -24.652 -10.335 8.405
42 2HG LYS 8 1HG LYS 8 -24.134 -10.786 6.781
43 1HD LYS 8 2HD LYS 8 -22.330 -12.088 7.607
44 2HD LYS 8 1HD LYS 8 -22.473 -11.402 9.221
45 1HE LYS 8 2HE LYS 8 -23.447 -13.815 8.581
46 2HE LYS 8 1HE LYS 8 -24.183 -12.793 9.809
47 1HZ LYS 8 2HZ LYS 8 -25.016 -12.669 6.974
48 2HZ LYS 8 1HZ LYS 8 -25.690 -13.793 8.053
49 3HZ LYS 8 3HZ LYS 8 -25.857 -12.132 8.350
50 H ALA 9 H ALA 9 -23.373 -10.852 4.799
51 HA ALA 9 HA ALA 9 -21.268 -12.792 5.157
52 1HB ALA 9 2HB ALA 9 -23.805 -13.201 4.756
53 2HB ALA 9 1HB ALA 9 -23.397 -12.982 3.053
54 3HB ALA 9 3HB ALA 9 -22.633 -14.272 3.984
55 H ALA 10 H ALA 10 -22.649 -11.420 2.168
56 HA ALA 10 HA ALA 10 -20.570 -12.089 0.460
57 1HB ALA 10 2HB ALA 10 -22.867 -10.324 0.399
58 2HB ALA 10 1HB ALA 10 -21.502 -9.632 -0.479
59 3HB ALA 10 3HB ALA 10 -22.113 -11.229 -0.915
60 H PHE 11 H PHE 11 -20.947 -9.226 2.506
61 HA PHE 11 HA PHE 11 -18.802 -7.703 1.593
62 1HB PHE 11 2HB PHE 11 -20.521 -6.992 3.267
63 2HB PHE 11 1HB PHE 11 -19.692 -7.973 4.467
64 HD1 PHE 11 HD1 PHE 11 -17.339 -6.572 2.210
65 HD2 PHE 11 HD2 PHE 11 -19.741 -5.590 5.617
66 HE1 PHE 11 HE1 PHE 11 -15.855 -4.676 2.719
67 HE2 PHE 11 HE2 PHE 11 -18.248 -3.702 6.113
68 HZ PHE 11 HZ PHE 11 -16.308 -3.242 4.668
69 H ASN 12 H ASN 12 -18.863 -10.283 4.033
70 HA ASN 12 HA ASN 12 -16.026 -10.141 4.520
71 1HB ASN 12 2HB ASN 12 -18.032 -11.020 6.022
72 2HB ASN 12 1HB ASN 12 -17.608 -12.551 5.253
73 1HD2 ASN 12 2HD2 ASN 12 -14.675 -10.664 7.428
74 2HD2 ASN 12 1HD2 ASN 12 -15.771 -9.751 6.454
75 H SER 13 H SER 13 -17.867 -11.440 2.005
76 HA SER 13 HA SER 13 -16.144 -13.725 1.497
77 1HB SER 13 2HB SER 13 -18.112 -12.733 -0.502
78 2HB SER 13 1HB SER 13 -17.706 -14.383 -0.050
79 HG SER 13 HG SER 13 -19.241 -14.316 1.411
80 H LEU 14 H LEU 14 -16.644 -10.448 0.355
81 HA LEU 14 HA LEU 14 -15.252 -10.493 -2.045
82 1HB LEU 14 2HB LEU 14 -16.482 -8.537 -1.329
83 2HB LEU 14 1HB LEU 14 -15.395 -8.307 0.034
84 HG LEU 14 HG LEU 14 -13.539 -8.040 -1.604
85 1HD1 LEU 14 2HD1 LEU 14 -14.975 -9.190 -3.453
86 2HD1 LEU 14 1HD1 LEU 14 -15.555 -7.548 -3.748
87 3HD1 LEU 14 3HD1 LEU 14 -13.836 -7.915 -3.887
88 1HD2 LEU 14 2HD2 LEU 14 -15.815 -6.069 -1.761
89 2HD2 LEU 14 1HD2 LEU 14 -14.463 -6.053 -0.626
90 3HD2 LEU 14 3HD2 LEU 14 -14.181 -5.744 -2.339
91 H GLN 15 H GLN 15 -14.083 -10.726 1.191
92 HA GLN 15 HA GLN 15 -11.328 -10.134 0.507
93 1HB GLN 15 2HB GLN 15 -12.482 -9.663 2.748
94 2HB GLN 15 1HB GLN 15 -12.291 -11.381 3.063
95 1HG GLN 15 2HG GLN 15 -9.798 -10.990 2.454
96 2HG GLN 15 1HG GLN 15 -10.177 -9.289 2.705
97 1HE2 GLN 15 2HD2 GLN 15 -10.749 -11.707 5.981
98 2HE2 GLN 15 1HD2 GLN 15 -11.279 -12.227 4.424
99 H ALA 16 H ALA 16 -13.330 -12.953 1.161
100 HA ALA 16 HA ALA 16 -11.364 -14.924 1.343
101 1HB ALA 16 2HB ALA 16 -13.795 -15.233 1.815
102 2HB ALA 16 1HB ALA 16 -14.093 -15.215 0.075
103 3HB ALA 16 3HB ALA 16 -13.112 -16.498 0.791
104 H SER 17 H SER 17 -12.671 -13.253 -1.418
105 HA SER 17 HA SER 17 -12.008 -14.929 -3.517
106 1HB SER 17 2HB SER 17 -12.462 -12.063 -3.159
107 2HB SER 17 1HB SER 17 -11.380 -12.437 -4.496
108 HG SER 17 HG SER 17 -13.363 -12.631 -5.391
109 H ALA 18 H ALA 18 -9.943 -12.594 -1.822
110 HA ALA 18 HA ALA 18 -7.621 -13.455 -3.382
111 1HB ALA 18 3HB ALA 18 -8.245 -11.006 -2.703
112 2HB ALA 18 2HB ALA 18 -7.491 -11.445 -1.168
113 3HB ALA 18 1HB ALA 18 -6.558 -11.527 -2.665
114 H THR 19 H THR 19 -8.926 -13.694 -0.124
115 HA THR 19 HA THR 19 -6.484 -14.930 0.891
116 HB THR 19 HB THR 19 -8.998 -14.862 2.459
117 HG1 THR 19 HG1 THR 19 -9.196 -12.819 1.912
118 1HG2 THR 19 2HG2 THR 19 -6.908 -15.742 3.413
119 2HG2 THR 19 1HG2 THR 19 -6.133 -14.181 3.129
120 3HG2 THR 19 3HG2 THR 19 -7.470 -14.308 4.274
121 H GLU 20 H GLU 20 -8.154 -16.228 -1.229
122 HA GLU 20 HA GLU 20 -9.114 -18.596 0.155
123 1HB GLU 20 2HB GLU 20 -10.779 -17.884 -1.246
124 2HB GLU 20 1HB GLU 20 -9.659 -17.280 -2.459
125 1HG GLU 20 2HG GLU 20 -9.511 -19.276 -3.491
126 2HG GLU 20 1HG GLU 20 -9.581 -20.173 -1.987
127 H TYR 21 H TYR 21 -7.342 -18.050 -2.940
128 HA TYR 21 HA TYR 21 -6.116 -20.660 -2.648
129 1HB TYR 21 2HB TYR 21 -5.328 -18.885 -4.879
130 2HB TYR 21 1HB TYR 21 -5.714 -20.596 -4.878
131 HD1 TYR 21 HD1 TYR 21 -8.029 -21.354 -5.067
132 HD2 TYR 21 HD2 TYR 21 -7.030 -17.200 -5.189
133 HE1 TYR 21 HE1 TYR 21 -10.259 -20.839 -5.982
134 HE2 TYR 21 HE2 TYR 21 -9.263 -16.695 -6.099
135 HH TYR 21 HH TYR 21 -11.659 -17.995 -5.941
136 H ILE 22 H ILE 22 -5.221 -17.547 -1.656
137 HA ILE 22 HA ILE 22 -2.529 -17.422 -2.314
138 HB ILE 22 HB ILE 22 -4.200 -16.375 -0.053
139 1HG1 ILE 22 2HG1 ILE 22 -2.597 -15.027 -2.256
140 2HG1 ILE 22 1HG1 ILE 22 -4.363 -15.210 -2.198
141 1HG2 ILE 22 1HG2 ILE 22 -1.213 -16.059 -0.259
142 2HG2 ILE 22 3HG2 ILE 22 -2.257 -15.086 0.777
143 3HG2 ILE 22 2HG2 ILE 22 -2.123 -16.824 1.043
144 1HD1 ILE 22 2HD1 ILE 22 -3.345 -13.938 0.229
145 2HD1 ILE 22 1HD1 ILE 22 -2.835 -13.052 -1.208
146 3HD1 ILE 22 3HD1 ILE 22 -4.552 -13.342 -0.914
147 H GLY 23 H GLY 23 -4.134 -19.629 -0.203
148 1HA GLY 23 2HA GLY 23 -2.365 -21.548 0.079
149 2HA GLY 23 1HA GLY 23 -1.616 -20.345 1.120
150 H TYR 24 H TYR 24 -4.019 -22.791 0.909
151 HA TYR 24 HA TYR 24 -5.262 -21.980 3.447
152 1HB TYR 24 2HB TYR 24 -6.084 -23.668 1.179
153 2HB TYR 24 1HB TYR 24 -6.486 -24.314 2.763
154 HD1 TYR 24 HD2 TYR 24 -7.643 -22.646 4.409
155 HD2 TYR 24 HD1 TYR 24 -7.486 -22.141 0.173
156 HE1 TYR 24 HE2 TYR 24 -9.586 -21.135 4.514
157 HE2 TYR 24 HE1 TYR 24 -9.431 -20.636 0.283
158 HH TYR 24 HH TYR 24 -11.244 -20.170 3.230
159 H ALA 25 H ALA 25 -2.970 -24.223 2.141
160 HA ALA 25 HA ALA 25 -3.128 -26.066 4.372
161 1HB ALA 25 3HB ALA 25 -2.545 -26.772 2.024
162 2HB ALA 25 2HB ALA 25 -1.019 -25.905 2.207
163 3HB ALA 25 1HB ALA 25 -1.378 -27.286 3.245
164 H TRP 26 H TRP 26 -0.980 -23.492 3.237
165 HA TRP 26 HA TRP 26 1.135 -23.795 5.005
166 1HB TRP 26 2HB TRP 26 0.021 -21.652 3.351
167 2HB TRP 26 1HB TRP 26 0.840 -21.070 4.792
168 HD1 TRP 26 1HD TRP 26 1.678 -21.478 1.377
169 HE1 TRP 26 1HE TRP 26 4.131 -22.092 1.024
170 HE3 TRP 26 3HE TRP 26 2.909 -23.009 6.108
171 HZ2 TRP 26 2HZ TRP 26 6.306 -23.081 2.494
172 HZ3 TRP 26 3HZ TRP 26 5.201 -23.780 6.563
173 HH2 TRP 26 HH2 TRP 26 6.888 -23.817 4.774
174 H ALA 27 H ALA 27 -2.030 -22.343 5.476
175 HA ALA 27 HA ALA 27 -1.458 -21.282 8.086
176 1HB ALA 27 3HB ALA 27 -4.032 -21.776 6.581
177 2HB ALA 27 2HB ALA 27 -3.968 -21.054 8.192
178 3HB ALA 27 1HB ALA 27 -3.203 -20.236 6.828
179 H MET 28 H MET 28 -3.342 -24.066 6.888
180 HA MET 28 HA MET 28 -4.089 -25.173 9.316
181 1HB MET 28 2HB MET 28 -4.296 -25.891 6.652
182 2HB MET 28 1HB MET 28 -3.240 -27.133 7.299
183 1HG MET 28 2HG MET 28 -6.103 -26.528 7.964
184 2HG MET 28 1HG MET 28 -5.343 -28.050 7.563
185 1HE MET 28 2HE MET 28 -7.458 -27.473 9.644
186 2HE MET 28 1HE MET 28 -6.971 -27.816 11.304
187 3HE MET 28 3HE MET 28 -6.871 -26.166 10.672
188 H VAL 29 H VAL 29 -1.065 -25.388 7.545
189 HA VAL 29 HA VAL 29 0.191 -27.347 9.177
190 HB VAL 29 HB VAL 29 1.393 -25.133 7.511
191 1HG1 VAL 29 3HG1 VAL 29 2.664 -26.751 9.355
192 2HG1 VAL 29 2HG1 VAL 29 2.943 -27.575 7.819
193 3HG1 VAL 29 1HG1 VAL 29 3.432 -25.891 8.020
194 1HG2 VAL 29 3HG2 VAL 29 -0.100 -27.345 6.696
195 2HG2 VAL 29 2HG2 VAL 29 0.935 -26.330 5.689
196 3HG2 VAL 29 1HG2 VAL 29 1.582 -27.801 6.419
197 H VAL 30 H VAL 30 0.550 -23.813 9.038
198 HA VAL 30 HA VAL 30 2.169 -23.430 11.254
199 HB VAL 30 HB VAL 30 -0.010 -21.729 10.066
200 1HG1 VAL 30 1HG1 VAL 30 2.007 -20.978 12.184
201 2HG1 VAL 30 3HG1 VAL 30 1.046 -19.819 11.263
202 3HG1 VAL 30 2HG1 VAL 30 0.248 -20.971 12.335
203 1HG2 VAL 30 3HG2 VAL 30 2.307 -22.415 8.940
204 2HG2 VAL 30 2HG2 VAL 30 1.578 -20.824 8.711
205 3HG2 VAL 30 1HG2 VAL 30 2.870 -21.042 9.894
206 H VAL 31 H VAL 31 -1.348 -23.651 11.056
207 HA VAL 31 HA VAL 31 -1.972 -23.132 13.734
208 HB VAL 31 HB VAL 31 -3.270 -24.356 11.394
209 1HG1 VAL 31 2HG1 VAL 31 -3.668 -26.157 13.017
210 2HG1 VAL 31 1HG1 VAL 31 -4.369 -24.985 14.137
211 3HG1 VAL 31 3HG1 VAL 31 -5.159 -25.310 12.592
212 1HG2 VAL 31 1HG2 VAL 31 -3.893 -22.307 13.477
213 2HG2 VAL 31 3HG2 VAL 31 -3.831 -22.143 11.721
214 3HG2 VAL 31 2HG2 VAL 31 -5.195 -22.966 12.483
215 H ILE 32 H ILE 32 -1.567 -26.267 12.107
216 HA ILE 32 HA ILE 32 -1.695 -27.839 14.447
217 HB ILE 32 HB ILE 32 -0.664 -28.291 11.670
218 1HG1 ILE 32 2HG1 ILE 32 -3.061 -29.285 13.203
219 2HG1 ILE 32 1HG1 ILE 32 -3.050 -28.136 11.871
220 1HG2 ILE 32 1HG2 ILE 32 0.672 -29.702 13.218
221 2HG2 ILE 32 3HG2 ILE 32 -0.828 -30.400 13.832
222 3HG2 ILE 32 2HG2 ILE 32 -0.361 -30.653 12.150
223 1HD1 ILE 32 1HD1 ILE 32 -1.728 -30.566 11.070
224 2HD1 ILE 32 3HD1 ILE 32 -3.332 -30.930 11.709
225 3HD1 ILE 32 2HD1 ILE 32 -3.151 -29.791 10.373
226 H VAL 33 H VAL 33 1.013 -26.294 12.762
227 HA VAL 33 HA VAL 33 3.141 -27.569 13.978
228 HB VAL 33 HB VAL 33 2.819 -24.713 13.076
229 1HG1 VAL 33 1HG1 VAL 33 5.160 -26.145 14.222
230 2HG1 VAL 33 3HG1 VAL 33 5.435 -25.018 12.894
231 3HG1 VAL 33 2HG1 VAL 33 4.677 -24.457 14.386
232 1HG2 VAL 33 1HG2 VAL 33 2.895 -27.056 11.622
233 2HG2 VAL 33 3HG2 VAL 33 3.249 -25.441 11.004
234 3HG2 VAL 33 2HG2 VAL 33 4.563 -26.482 11.554
235 H GLY 34 H GLY 34 1.824 -24.403 14.958
236 1HA GLY 34 2HA GLY 34 3.151 -24.224 17.412
237 2HA GLY 34 1HA GLY 34 1.662 -23.373 17.004
238 H ALA 35 H ALA 35 0.276 -25.971 16.511
239 HA ALA 35 HA ALA 35 -0.636 -26.394 19.217
240 1HB ALA 35 2HB ALA 35 -1.727 -26.685 16.638
241 2HB ALA 35 1HB ALA 35 -1.697 -28.302 17.346
242 3HB ALA 35 3HB ALA 35 -2.526 -26.988 18.182
243 H THR 36 H THR 36 1.488 -27.964 16.976
244 HA THR 36 HA THR 36 1.633 -30.369 18.665
245 HB THR 36 HB THR 36 2.604 -29.758 15.875
246 HG1 THR 36 HG1 THR 36 0.814 -30.705 15.366
247 1HG2 THR 36 1HG2 THR 36 3.698 -31.643 17.742
248 2HG2 THR 36 3HG2 THR 36 2.909 -32.508 16.422
249 3HG2 THR 36 2HG2 THR 36 4.174 -31.328 16.071
250 H ILE 37 H ILE 37 4.044 -28.500 16.807
251 HA ILE 37 HA ILE 37 6.254 -29.161 18.312
252 HB ILE 37 HB ILE 37 5.701 -26.555 16.938
253 1HG1 ILE 37 2HG1 ILE 37 5.975 -29.276 15.987
254 2HG1 ILE 37 1HG1 ILE 37 5.514 -27.830 15.117
255 1HG2 ILE 37 3HG2 ILE 37 7.684 -26.679 18.513
256 2HG2 ILE 37 2HG2 ILE 37 8.367 -27.881 17.416
257 3HG2 ILE 37 1HG2 ILE 37 8.051 -26.242 16.843
258 1HD1 ILE 37 2HD1 ILE 37 7.903 -27.274 14.814
259 2HD1 ILE 37 1HD1 ILE 37 8.330 -28.762 15.663
260 3HD1 ILE 37 3HD1 ILE 37 7.490 -28.840 14.113
261 H GLY 38 H GLY 38 3.692 -26.930 19.020
262 1HA GLY 38 2HA GLY 38 5.009 -25.365 20.997
263 2HA GLY 38 1HA GLY 38 3.265 -25.531 20.795
264 H ILE 39 H ILE 39 2.909 -28.225 21.165
265 HA ILE 39 HA ILE 39 2.584 -28.573 23.853
266 HB ILE 39 HB ILE 39 3.090 -30.590 21.673
267 1HG1 ILE 39 2HG1 ILE 39 0.579 -29.810 23.162
268 2HG1 ILE 39 1HG1 ILE 39 1.046 -29.200 21.576
269 1HG2 ILE 39 1HG2 ILE 39 2.518 -31.050 24.594
270 2HG2 ILE 39 3HG2 ILE 39 1.954 -32.194 23.375
271 3HG2 ILE 39 2HG2 ILE 39 3.682 -31.872 23.552
272 1HD1 ILE 39 3HD1 ILE 39 1.240 -31.846 21.107
273 2HD1 ILE 39 2HD1 ILE 39 -0.011 -31.860 22.352
274 3HD1 ILE 39 1HD1 ILE 39 -0.254 -30.936 20.868
275 H LYS 40 H LYS 40 5.538 -28.941 22.034
276 HA LYS 40 HA LYS 40 6.959 -30.247 24.200
277 1HB LYS 40 2HB LYS 40 7.542 -30.760 21.881
278 2HB LYS 40 1HB LYS 40 7.950 -29.069 21.599
279 1HG LYS 40 2HG LYS 40 9.391 -29.900 23.892
280 2HG LYS 40 1HG LYS 40 9.590 -31.158 22.675
281 1HD LYS 40 2HD LYS 40 9.873 -28.335 21.782
282 2HD LYS 40 1HD LYS 40 11.167 -29.003 22.774
283 1HE LYS 40 2HE LYS 40 10.146 -30.566 20.434
284 2HE LYS 40 1HE LYS 40 11.256 -29.228 20.161
285 1HZ LYS 40 1HZ LYS 40 12.797 -30.282 21.729
286 2HZ LYS 40 3HZ LYS 40 11.737 -31.597 21.883
287 3HZ LYS 40 2HZ LYS 40 12.470 -31.268 20.385
288 H LEU 41 H LEU 41 7.785 -27.297 22.397
289 HA LEU 41 HA LEU 41 9.449 -26.107 24.204
290 1HB LEU 41 2HB LEU 41 8.621 -23.902 23.241
291 2HB LEU 41 1HB LEU 41 9.199 -25.082 22.057
292 HG LEU 41 HG LEU 41 6.563 -25.732 22.234
293 1HD1 LEU 41 3HD1 LEU 41 6.296 -23.680 23.731
294 2HD1 LEU 41 2HD1 LEU 41 6.566 -22.726 22.270
295 3HD1 LEU 41 1HD1 LEU 41 5.191 -23.828 22.363
296 1HD2 LEU 41 3HD2 LEU 41 8.056 -23.868 20.415
297 2HD2 LEU 41 2HD2 LEU 41 7.568 -25.539 20.130
298 3HD2 LEU 41 1HD2 LEU 41 6.357 -24.256 20.136
299 H PHE 42 H PHE 42 5.944 -25.973 24.210
300 HA PHE 42 HA PHE 42 5.371 -24.056 26.066
301 1HB PHE 42 2HB PHE 42 3.823 -25.747 24.842
302 2HB PHE 42 1HB PHE 42 4.021 -26.720 26.291
303 HD1 PHE 42 HD1 PHE 42 2.617 -23.641 24.886
304 HD2 PHE 42 HD2 PHE 42 3.096 -26.001 28.412
305 HE1 PHE 42 HE1 PHE 42 0.865 -22.321 26.008
306 HE2 PHE 42 HE2 PHE 42 1.344 -24.679 29.533
307 HZ PHE 42 HZ PHE 42 0.228 -22.839 28.331
308 H LYS 43 H LYS 43 6.806 -27.192 26.676
309 HA LYS 43 HA LYS 43 6.445 -27.346 29.452
310 1HB LYS 43 2HB LYS 43 7.362 -29.324 28.901
311 2HB LYS 43 1HB LYS 43 8.070 -28.671 27.437
312 1HG LYS 43 2HG LYS 43 10.026 -28.089 28.481
313 2HG LYS 43 1HG LYS 43 9.311 -28.070 30.088
314 1HD LYS 43 2HD LYS 43 10.500 -30.059 30.135
315 2HD LYS 43 1HD LYS 43 8.889 -30.590 29.658
316 1HE LYS 43 2HE LYS 43 9.857 -31.582 27.893
317 2HE LYS 43 1HE LYS 43 10.139 -29.967 27.251
318 1HZ LYS 43 1HZ LYS 43 12.154 -30.395 29.067
319 2HZ LYS 43 3HZ LYS 43 12.007 -31.866 28.234
320 3HZ LYS 43 2HZ LYS 43 12.284 -30.426 27.374
321 H LYS 44 H LYS 44 9.320 -26.186 27.697
322 HA LYS 44 HA LYS 44 10.056 -24.595 30.053
323 1HB LYS 44 2HB LYS 44 11.538 -25.812 27.794
324 2HB LYS 44 1HB LYS 44 12.136 -24.263 28.388
325 1HG LYS 44 2HG LYS 44 11.502 -26.467 30.344
326 2HG LYS 44 1HG LYS 44 13.036 -26.477 29.466
327 1HD LYS 44 2HD LYS 44 13.663 -25.284 31.327
328 2HD LYS 44 1HD LYS 44 13.171 -23.949 30.275
329 1HE LYS 44 2HE LYS 44 12.288 -23.924 32.700
330 2HE LYS 44 1HE LYS 44 11.079 -23.712 31.433
331 1HZ LYS 44 1HZ LYS 44 11.681 -26.402 32.464
332 2HZ LYS 44 3HZ LYS 44 10.657 -25.371 33.338
333 3HZ LYS 44 2HZ LYS 44 10.256 -25.818 31.749
334 H PHE 45 H PHE 45 10.741 -24.006 26.660
335 HA PHE 45 HA PHE 45 10.693 -22.036 25.454
336 1HB PHE 45 2HB PHE 45 8.480 -22.989 25.075
337 2HB PHE 45 1HB PHE 45 7.863 -22.173 26.506
338 HD1 PHE 45 HD2 PHE 45 10.011 -21.068 23.651
339 HD2 PHE 45 HD1 PHE 45 6.416 -20.487 25.882
340 HE1 PHE 45 HE2 PHE 45 9.476 -19.095 22.274
341 HE2 PHE 45 HE1 PHE 45 5.881 -18.514 24.504
342 HZ PHE 45 HZ PHE 45 7.411 -17.818 22.700
343 H THR 46 H THR 46 11.867 -21.526 27.877
344 HA THR 46 HA THR 46 11.163 -18.734 28.268
345 HB THR 46 HB THR 46 11.267 -19.046 30.770
346 HG1 THR 46 HG1 THR 46 10.727 -21.195 31.465
347 1HG2 THR 46 2HG2 THR 46 8.982 -20.279 29.229
348 2HG2 THR 46 1HG2 THR 46 8.909 -19.841 30.938
349 3HG2 THR 46 3HG2 THR 46 9.151 -18.591 29.716
350 H SER 47 H SER 47 13.054 -20.891 30.322
351 HA SER 47 HA SER 47 15.275 -20.765 31.000
352 1HB SER 47 2HB SER 47 15.121 -21.437 28.326
353 2HB SER 47 1HB SER 47 16.301 -20.129 28.344
354 HG SER 47 HG SER 47 17.305 -22.155 28.725
355 H LYS 48 H LYS 48 17.440 -19.408 30.273
356 HA LYS 48 HA LYS 48 18.432 -17.446 31.022
357 1HB LYS 48 2HB LYS 48 16.924 -16.601 28.567
358 2HB LYS 48 1HB LYS 48 18.401 -15.864 29.180
359 1HG LYS 48 2HG LYS 48 18.328 -18.790 28.526
360 2HG LYS 48 1HG LYS 48 18.517 -17.611 27.234
361 1HD LYS 48 2HD LYS 48 20.275 -17.315 29.607
362 2HD LYS 48 1HD LYS 48 20.589 -18.674 28.537
363 1HE LYS 48 2HE LYS 48 20.566 -15.738 27.836
364 2HE LYS 48 1HE LYS 48 21.931 -16.851 27.767
365 1HZ LYS 48 2HZ LYS 48 20.169 -18.067 26.169
366 2HZ LYS 48 1HZ LYS 48 19.778 -16.439 25.881
367 3HZ LYS 48 3HZ LYS 48 21.361 -16.988 25.622
368 H ALA 49 H ALA 49 16.768 -17.404 32.899
369 HA ALA 49 HA ALA 49 14.628 -15.550 32.838
370 1HB ALA 49 2HB ALA 49 15.872 -17.317 34.708
371 2HB ALA 49 1HB ALA 49 15.655 -15.736 35.468
372 3HB ALA 49 3HB ALA 49 14.266 -16.584 34.782
373 H SER 50 H SER 50 15.830 -13.836 31.660
374 HA SER 50 HA SER 50 17.574 -12.214 33.391
375 1HB SER 50 2HB SER 50 17.266 -12.556 30.465
376 2HB SER 50 1HB SER 50 17.662 -10.938 31.030
377 HG SER 50 HG SER 50 19.637 -11.734 31.085
No H/Q in entry = 377
Start of MODEL 21
1 1H ALA 1 2H ALA 1 -24.905 -59.359 22.042
2 2H ALA 1 1H ALA 1 -23.664 -60.399 22.555
3 3H ALA 1 3H ALA 1 -24.535 -59.495 23.695
4 HA ALA 1 HA ALA 1 -22.838 -58.084 23.593
5 1HB ALA 1 1HB ALA 1 -22.254 -59.399 20.948
6 2HB ALA 1 3HB ALA 1 -21.383 -57.958 21.479
7 3HB ALA 1 2HB ALA 1 -21.301 -59.441 22.433
8 H GLU 2 H GLU 2 -23.746 -56.143 23.625
9 HA GLU 2 HA GLU 2 -25.255 -55.174 21.313
10 1HB GLU 2 2HB GLU 2 -26.360 -54.860 23.408
11 2HB GLU 2 1HB GLU 2 -24.917 -54.174 24.144
12 1HG GLU 2 2HG GLU 2 -26.718 -52.504 23.527
13 2HG GLU 2 1HG GLU 2 -25.120 -52.156 22.865
14 H GLY 3 H GLY 3 -23.712 -54.629 19.806
15 1HA GLY 3 2HA GLY 3 -21.912 -53.579 18.836
16 2HA GLY 3 1HA GLY 3 -22.703 -52.187 19.554
17 H ASP 4 H ASP 4 -20.505 -51.307 19.626
18 HA ASP 4 HA ASP 4 -19.024 -52.235 22.015
19 1HB ASP 4 2HB ASP 4 -18.120 -51.837 19.287
20 2HB ASP 4 1HB ASP 4 -17.215 -50.830 20.422
21 H ASP 5 H ASP 5 -18.606 -49.465 19.892
22 HA ASP 5 HA ASP 5 -19.785 -47.522 21.544
23 1HB ASP 5 2HB ASP 5 -17.939 -48.096 23.040
24 2HB ASP 5 1HB ASP 5 -16.790 -47.839 21.728
25 HA PRO 6 HA PRO 6 -19.338 -45.772 17.452
26 1HB PRO 6 2HB PRO 6 -20.275 -43.281 18.068
27 2HB PRO 6 1HB PRO 6 -21.315 -44.682 17.754
28 1HG PRO 6 2HG PRO 6 -20.420 -43.548 20.377
29 2HG PRO 6 1HG PRO 6 -22.033 -44.109 19.889
30 1HD PRO 6 2HD PRO 6 -20.437 -45.670 21.372
31 2HD PRO 6 1HD PRO 6 -21.451 -46.368 20.092
32 H ALA 7 H ALA 7 -17.838 -44.749 20.359
33 HA ALA 7 HA ALA 7 -16.263 -42.587 19.560
34 1HB ALA 7 3HB ALA 7 -15.741 -44.864 21.484
35 2HB ALA 7 2HB ALA 7 -14.680 -43.458 21.325
36 3HB ALA 7 1HB ALA 7 -16.344 -43.249 21.873
37 H LYS 8 H LYS 8 -16.018 -46.017 19.011
38 HA LYS 8 HA LYS 8 -13.398 -46.325 18.177
39 1HB LYS 8 2HB LYS 8 -14.143 -48.306 17.060
40 2HB LYS 8 1HB LYS 8 -15.119 -48.120 18.516
41 1HG LYS 8 2HG LYS 8 -16.934 -48.283 17.228
42 2HG LYS 8 1HG LYS 8 -16.510 -46.722 16.532
43 1HD LYS 8 2HD LYS 8 -16.447 -47.849 14.576
44 2HD LYS 8 1HD LYS 8 -14.863 -48.377 15.127
45 1HE LYS 8 2HE LYS 8 -17.398 -49.894 14.896
46 2HE LYS 8 1HE LYS 8 -15.737 -50.433 14.685
47 1HZ LYS 8 1HZ LYS 8 -15.645 -50.074 17.244
48 2HZ LYS 8 3HZ LYS 8 -17.330 -50.237 17.141
49 3HZ LYS 8 2HZ LYS 8 -16.323 -51.494 16.603
50 H ALA 9 H ALA 9 -16.080 -44.811 16.559
51 HA ALA 9 HA ALA 9 -14.955 -44.826 13.926
52 1HB ALA 9 1HB ALA 9 -17.429 -44.424 14.766
53 2HB ALA 9 3HB ALA 9 -16.908 -42.738 14.782
54 3HB ALA 9 2HB ALA 9 -16.837 -43.669 13.284
55 H ALA 10 H ALA 10 -15.008 -42.515 16.605
56 HA ALA 10 HA ALA 10 -13.947 -40.261 15.426
57 1HB ALA 10 1HB ALA 10 -13.907 -41.418 18.147
58 2HB ALA 10 3HB ALA 10 -12.681 -40.194 17.812
59 3HB ALA 10 2HB ALA 10 -14.392 -39.810 17.607
60 H PHE 11 H PHE 11 -12.219 -43.134 16.584
61 HA PHE 11 HA PHE 11 -9.600 -42.208 16.223
62 1HB PHE 11 2HB PHE 11 -10.251 -44.311 17.394
63 2HB PHE 11 1HB PHE 11 -10.592 -45.035 15.829
64 HD1 PHE 11 HD2 PHE 11 -7.845 -42.794 15.593
65 HD2 PHE 11 HD1 PHE 11 -8.873 -46.756 16.853
66 HE1 PHE 11 HE2 PHE 11 -5.486 -43.473 15.406
67 HE2 PHE 11 HE1 PHE 11 -6.514 -47.419 16.662
68 HZ PHE 11 HZ PHE 11 -4.821 -45.783 15.940
69 H ASN 12 H ASN 12 -11.753 -43.919 13.954
70 HA ASN 12 HA ASN 12 -9.883 -43.895 11.792
71 1HB ASN 12 2HB ASN 12 -12.019 -45.360 12.183
72 2HB ASN 12 1HB ASN 12 -12.843 -44.030 11.368
73 1HD2 ASN 12 2HD2 ASN 12 -11.790 -44.948 8.195
74 2HD2 ASN 12 1HD2 ASN 12 -12.799 -43.977 9.207
75 H SER 13 H SER 13 -12.184 -41.607 13.033
76 HA SER 13 HA SER 13 -12.613 -40.032 10.746
77 1HB SER 13 2HB SER 13 -12.458 -38.834 13.481
78 2HB SER 13 1HB SER 13 -13.587 -38.490 12.178
79 HG SER 13 HG SER 13 -14.854 -39.947 13.030
80 H LEU 14 H LEU 14 -9.902 -40.283 12.910
81 HA LEU 14 HA LEU 14 -8.660 -37.828 12.588
82 1HB LEU 14 2HB LEU 14 -7.815 -39.538 14.106
83 2HB LEU 14 1HB LEU 14 -7.377 -40.559 12.744
84 HG LEU 14 HG LEU 14 -5.772 -38.935 11.993
85 1HD1 LEU 14 3HD1 LEU 14 -7.238 -37.130 13.669
86 2HD1 LEU 14 2HD1 LEU 14 -5.531 -37.104 14.110
87 3HD1 LEU 14 1HD1 LEU 14 -6.017 -36.775 12.447
88 1HD2 LEU 14 1HD2 LEU 14 -5.060 -40.572 13.710
89 2HD2 LEU 14 3HD2 LEU 14 -4.124 -39.078 13.744
90 3HD2 LEU 14 2HD2 LEU 14 -5.378 -39.357 14.952
91 H GLN 15 H GLN 15 -9.116 -40.368 10.301
92 HA GLN 15 HA GLN 15 -7.081 -39.470 8.455
93 1HB GLN 15 2HB GLN 15 -8.150 -41.856 8.755
94 2HB GLN 15 1HB GLN 15 -9.367 -41.223 7.653
95 1HG GLN 15 2HG GLN 15 -7.555 -42.424 6.462
96 2HG GLN 15 1HG GLN 15 -7.662 -40.729 5.989
97 1HE2 GLN 15 2HD2 GLN 15 -4.653 -41.523 8.658
98 2HE2 GLN 15 1HD2 GLN 15 -6.260 -42.080 8.950
99 H ALA 16 H ALA 16 -10.462 -38.886 9.044
100 HA ALA 16 HA ALA 16 -10.897 -37.561 6.499
101 1HB ALA 16 1HB ALA 16 -12.584 -38.153 8.909
102 2HB ALA 16 3HB ALA 16 -13.128 -36.990 7.698
103 3HB ALA 16 2HB ALA 16 -12.817 -38.664 7.235
104 H SER 17 H SER 17 -10.054 -36.752 9.765
105 HA SER 17 HA SER 17 -10.820 -34.101 9.982
106 1HB SER 17 2HB SER 17 -9.874 -34.961 11.912
107 2HB SER 17 1HB SER 17 -8.519 -35.683 11.051
108 HG SER 17 HG SER 17 -7.494 -33.777 11.062
109 H ALA 18 H ALA 18 -8.348 -35.518 7.999
110 HA ALA 18 HA ALA 18 -6.990 -33.026 7.446
111 1HB ALA 18 3HB ALA 18 -6.633 -35.860 6.797
112 2HB ALA 18 2HB ALA 18 -6.221 -34.771 5.470
113 3HB ALA 18 1HB ALA 18 -5.428 -34.593 7.036
114 H THR 19 H THR 19 -9.568 -34.922 6.042
115 HA THR 19 HA THR 19 -9.587 -33.813 3.460
116 HB THR 19 HB THR 19 -12.239 -34.406 4.496
117 HG1 THR 19 HG1 THR 19 -10.422 -36.558 4.573
118 1HG2 THR 19 2HG2 THR 19 -11.580 -34.427 2.107
119 2HG2 THR 19 1HG2 THR 19 -10.532 -35.810 2.435
120 3HG2 THR 19 3HG2 THR 19 -12.280 -35.957 2.638
121 H GLU 20 H GLU 20 -11.368 -32.832 6.387
122 HA GLU 20 HA GLU 20 -12.728 -30.667 5.236
123 1HB GLU 20 2HB GLU 20 -12.037 -31.576 7.966
124 2HB GLU 20 1HB GLU 20 -12.439 -29.887 7.775
125 1HG GLU 20 2HG GLU 20 -14.157 -32.105 6.750
126 2HG GLU 20 1HG GLU 20 -14.395 -31.347 8.319
127 H TYR 21 H TYR 21 -9.397 -31.074 5.958
128 HA TYR 21 HA TYR 21 -8.867 -28.215 6.162
129 1HB TYR 21 2HB TYR 21 -7.023 -30.601 6.272
130 2HB TYR 21 1HB TYR 21 -6.552 -28.936 6.548
131 HD1 TYR 21 HD1 TYR 21 -9.681 -29.024 7.967
132 HD2 TYR 21 HD2 TYR 21 -5.765 -30.618 8.592
133 HE1 TYR 21 HE1 TYR 21 -10.162 -29.291 10.370
134 HE2 TYR 21 HE2 TYR 21 -6.262 -30.885 10.989
135 HH TYR 21 HH TYR 21 -8.192 -31.106 12.456
136 H ILE 22 H ILE 22 -9.168 -30.526 3.673
137 HA ILE 22 HA ILE 22 -7.143 -30.081 1.912
138 HB ILE 22 HB ILE 22 -10.083 -30.575 1.673
139 1HG1 ILE 22 2HG1 ILE 22 -8.300 -32.357 2.281
140 2HG1 ILE 22 1HG1 ILE 22 -9.390 -32.733 0.921
141 1HG2 ILE 22 2HG2 ILE 22 -8.268 -29.878 -0.612
142 2HG2 ILE 22 1HG2 ILE 22 -9.641 -30.966 -0.824
143 3HG2 ILE 22 3HG2 ILE 22 -9.903 -29.315 -0.264
144 1HD1 ILE 22 1HD1 ILE 22 -6.616 -31.548 0.588
145 2HD1 ILE 22 3HD1 ILE 22 -6.966 -33.275 0.487
146 3HD1 ILE 22 2HD1 ILE 22 -7.669 -32.160 -0.689
147 H GLY 23 H GLY 23 -9.607 -27.816 2.904
148 1HA GLY 23 2HA GLY 23 -9.278 -25.972 0.737
149 2HA GLY 23 1HA GLY 23 -10.094 -25.652 2.266
150 H TYR 24 H TYR 24 -8.590 -25.386 4.178
151 HA TYR 24 HA TYR 24 -6.308 -23.700 3.378
152 1HB TYR 24 2HB TYR 24 -6.809 -23.339 6.115
153 2HB TYR 24 1HB TYR 24 -7.151 -22.226 4.803
154 HD1 TYR 24 HD1 TYR 24 -8.571 -24.885 6.935
155 HD2 TYR 24 HD2 TYR 24 -9.362 -21.838 4.059
156 HE1 TYR 24 HE1 TYR 24 -10.984 -25.079 7.393
157 HE2 TYR 24 HE2 TYR 24 -11.776 -22.030 4.518
158 HH TYR 24 HH TYR 24 -13.293 -24.174 5.535
159 H ALA 25 H ALA 25 -5.999 -26.493 3.375
160 HA ALA 25 HA ALA 25 -5.041 -27.697 5.678
161 1HB ALA 25 3HB ALA 25 -4.223 -28.036 2.787
162 2HB ALA 25 2HB ALA 25 -3.592 -29.057 4.080
163 3HB ALA 25 1HB ALA 25 -5.323 -29.045 3.730
164 H TRP 26 H TRP 26 -2.943 -26.221 3.176
165 HA TRP 26 HA TRP 26 -0.560 -26.345 4.482
166 1HB TRP 26 2HB TRP 26 -1.537 -24.080 2.749
167 2HB TRP 26 1HB TRP 26 0.135 -24.526 3.052
168 HD1 TRP 26 1HD TRP 26 -2.289 -24.881 0.410
169 HE1 TRP 26 1HE TRP 26 -1.818 -26.930 -1.038
170 HE3 TRP 26 3HE TRP 26 0.990 -27.396 3.443
171 HZ2 TRP 26 2HZ TRP 26 -0.299 -29.287 -0.957
172 HZ3 TRP 26 3HZ TRP 26 1.911 -29.548 2.694
173 HH2 TRP 26 HH2 TRP 26 1.276 -30.490 0.512
174 H ALA 27 H ALA 27 -2.970 -23.732 4.729
175 HA ALA 27 HA ALA 27 -1.458 -22.145 6.532
176 1HB ALA 27 1HB ALA 27 -3.852 -21.864 5.166
177 2HB ALA 27 3HB ALA 27 -4.339 -21.909 6.863
178 3HB ALA 27 2HB ALA 27 -3.163 -20.712 6.312
179 H MET 28 H MET 28 -4.141 -24.446 7.064
180 HA MET 28 HA MET 28 -4.235 -24.297 9.848
181 1HB MET 28 2HB MET 28 -5.527 -25.764 7.886
182 2HB MET 28 1HB MET 28 -4.612 -26.993 8.738
183 1HG MET 28 2HG MET 28 -6.844 -25.248 9.727
184 2HG MET 28 1HG MET 28 -6.632 -26.977 9.854
185 1HE MET 28 1HE MET 28 -7.711 -25.064 11.796
186 2HE MET 28 3HE MET 28 -7.294 -26.239 13.053
187 3HE MET 28 2HE MET 28 -6.724 -24.575 13.173
188 H VAL 29 H VAL 29 -2.359 -26.427 7.723
189 HA VAL 29 HA VAL 29 -1.017 -27.917 9.669
190 HB VAL 29 HB VAL 29 -0.056 -26.974 6.966
191 1HG1 VAL 29 2HG1 VAL 29 1.078 -28.910 8.943
192 2HG1 VAL 29 1HG1 VAL 29 1.304 -29.187 7.214
193 3HG1 VAL 29 3HG1 VAL 29 1.902 -27.701 7.956
194 1HG2 VAL 29 3HG2 VAL 29 -2.218 -28.456 7.346
195 2HG2 VAL 29 2HG2 VAL 29 -1.100 -28.776 6.018
196 3HG2 VAL 29 1HG2 VAL 29 -1.017 -29.739 7.494
197 H VAL 30 H VAL 30 -0.058 -24.906 8.048
198 HA VAL 30 HA VAL 30 2.341 -24.433 9.389
199 HB VAL 30 HB VAL 30 0.297 -22.494 8.322
200 1HG1 VAL 30 2HG1 VAL 30 2.675 -22.002 9.847
201 2HG1 VAL 30 1HG1 VAL 30 2.883 -21.383 8.207
202 3HG1 VAL 30 3HG1 VAL 30 1.517 -20.845 9.186
203 1HG2 VAL 30 3HG2 VAL 30 1.929 -24.317 6.994
204 2HG2 VAL 30 2HG2 VAL 30 1.082 -22.939 6.285
205 3HG2 VAL 30 1HG2 VAL 30 2.755 -22.766 6.824
206 H VAL 31 H VAL 31 -0.961 -23.466 10.206
207 HA VAL 31 HA VAL 31 -0.428 -21.993 12.519
208 HB VAL 31 HB VAL 31 -2.722 -23.263 11.237
209 1HG1 VAL 31 2HG1 VAL 31 -2.835 -22.932 14.237
210 2HG1 VAL 31 1HG1 VAL 31 -4.218 -23.237 13.183
211 3HG1 VAL 31 3HG1 VAL 31 -2.950 -24.455 13.351
212 1HG2 VAL 31 1HG2 VAL 31 -2.015 -20.705 12.565
213 2HG2 VAL 31 3HG2 VAL 31 -2.740 -21.000 10.984
214 3HG2 VAL 31 2HG2 VAL 31 -3.727 -21.116 12.442
215 H ILE 32 H ILE 32 -1.335 -25.419 12.231
216 HA ILE 32 HA ILE 32 -0.986 -26.084 14.935
217 HB ILE 32 HB ILE 32 -0.942 -27.678 12.394
218 1HG1 ILE 32 2HG1 ILE 32 -2.941 -27.361 14.629
219 2HG1 ILE 32 1HG1 ILE 32 -3.090 -26.781 12.974
220 1HG2 ILE 32 3HG2 ILE 32 0.469 -28.861 14.025
221 2HG2 ILE 32 2HG2 ILE 32 -0.842 -28.789 15.206
222 3HG2 ILE 32 1HG2 ILE 32 -1.038 -29.731 13.726
223 1HD1 ILE 32 3HD1 ILE 32 -2.835 -29.274 12.312
224 2HD1 ILE 32 2HD1 ILE 32 -3.244 -29.599 13.998
225 3HD1 ILE 32 1HD1 ILE 32 -4.381 -28.728 12.965
226 H VAL 33 H VAL 33 1.284 -26.079 12.207
227 HA VAL 33 HA VAL 33 3.415 -27.418 13.330
228 HB VAL 33 HB VAL 33 3.345 -25.070 11.446
229 1HG1 VAL 33 1HG1 VAL 33 5.633 -26.586 12.571
230 2HG1 VAL 33 3HG1 VAL 33 5.684 -26.182 10.855
231 3HG1 VAL 33 2HG1 VAL 33 5.532 -24.900 12.058
232 1HG2 VAL 33 2HG2 VAL 33 2.590 -27.716 11.106
233 2HG2 VAL 33 1HG2 VAL 33 2.947 -26.556 9.825
234 3HG2 VAL 33 3HG2 VAL 33 4.211 -27.639 10.409
235 H GLY 34 H GLY 34 2.476 -24.023 13.652
236 1HA GLY 34 2HA GLY 34 4.706 -23.265 15.276
237 2HA GLY 34 1HA GLY 34 3.221 -22.339 15.040
238 H ALA 35 H ALA 35 1.496 -24.532 15.884
239 HA ALA 35 HA ALA 35 1.504 -24.017 18.710
240 1HB ALA 35 3HB ALA 35 -0.514 -24.399 17.127
241 2HB ALA 35 2HB ALA 35 -0.176 -26.115 17.370
242 3HB ALA 35 1HB ALA 35 -0.572 -25.090 18.751
243 H THR 36 H THR 36 2.077 -26.867 16.671
244 HA THR 36 HA THR 36 2.430 -28.823 18.582
245 HB THR 36 HB THR 36 4.009 -28.414 16.042
246 HG1 THR 36 HG1 THR 36 1.994 -28.661 15.362
247 1HG2 THR 36 3HG2 THR 36 4.940 -30.070 17.737
248 2HG2 THR 36 2HG2 THR 36 3.482 -31.023 17.448
249 3HG2 THR 36 1HG2 THR 36 4.603 -30.698 16.123
250 H ILE 37 H ILE 37 5.047 -26.865 17.151
251 HA ILE 37 HA ILE 37 7.103 -27.689 18.814
252 HB ILE 37 HB ILE 37 6.723 -24.972 17.613
253 1HG1 ILE 37 2HG1 ILE 37 7.006 -27.602 16.445
254 2HG1 ILE 37 1HG1 ILE 37 6.679 -26.068 15.672
255 1HG2 ILE 37 1HG2 ILE 37 9.189 -26.478 18.498
256 2HG2 ILE 37 3HG2 ILE 37 9.210 -24.972 17.580
257 3HG2 ILE 37 2HG2 ILE 37 8.534 -25.003 19.210
258 1HD1 ILE 37 1HD1 ILE 37 9.137 -25.597 15.715
259 2HD1 ILE 37 3HD1 ILE 37 9.377 -27.228 16.346
260 3HD1 ILE 37 2HD1 ILE 37 8.694 -26.997 14.734
261 H GLY 38 H GLY 38 4.710 -25.137 19.283
262 1HA GLY 38 2HA GLY 38 5.845 -23.980 21.611
263 2HA GLY 38 1HA GLY 38 4.163 -23.832 21.097
264 H ILE 39 H ILE 39 3.118 -26.266 21.246
265 HA ILE 39 HA ILE 39 2.493 -26.719 23.880
266 HB ILE 39 HB ILE 39 2.599 -28.708 21.614
267 1HG1 ILE 39 2HG1 ILE 39 0.282 -27.140 22.759
268 2HG1 ILE 39 1HG1 ILE 39 1.158 -26.705 21.296
269 1HG2 ILE 39 3HG2 ILE 39 1.177 -28.902 24.283
270 2HG2 ILE 39 2HG2 ILE 39 0.982 -30.030 22.939
271 3HG2 ILE 39 1HG2 ILE 39 2.541 -29.892 23.760
272 1HD1 ILE 39 2HD1 ILE 39 0.100 -29.478 21.457
273 2HD1 ILE 39 1HD1 ILE 39 -1.077 -28.180 21.245
274 3HD1 ILE 39 3HD1 ILE 39 0.221 -28.394 20.068
275 H LYS 40 H LYS 40 5.319 -27.753 22.139
276 HA LYS 40 HA LYS 40 6.183 -29.646 24.153
277 1HB LYS 40 2HB LYS 40 6.768 -29.276 21.494
278 2HB LYS 40 1HB LYS 40 8.201 -28.627 22.286
279 1HG LYS 40 2HG LYS 40 8.169 -30.800 23.676
280 2HG LYS 40 1HG LYS 40 7.057 -31.406 22.451
281 1HD LYS 40 2HD LYS 40 9.340 -32.063 21.905
282 2HD LYS 40 1HD LYS 40 8.738 -30.920 20.707
283 1HE LYS 40 2HE LYS 40 10.119 -29.218 21.436
284 2HE LYS 40 1HE LYS 40 10.236 -29.868 23.069
285 1HZ LYS 40 2HZ LYS 40 11.325 -31.699 21.216
286 2HZ LYS 40 1HZ LYS 40 12.042 -30.174 20.997
287 3HZ LYS 40 3HZ LYS 40 12.084 -30.919 22.521
288 H LEU 41 H LEU 41 7.787 -26.756 22.836
289 HA LEU 41 HA LEU 41 9.548 -26.328 24.930
290 1HB LEU 41 2HB LEU 41 9.564 -23.924 24.147
291 2HB LEU 41 1HB LEU 41 9.866 -25.114 22.877
292 HG LEU 41 HG LEU 41 7.174 -24.899 22.728
293 1HD1 LEU 41 3HD1 LEU 41 7.493 -22.998 24.515
294 2HD1 LEU 41 2HD1 LEU 41 7.941 -22.039 23.103
295 3HD1 LEU 41 1HD1 LEU 41 6.350 -22.799 23.185
296 1HD2 LEU 41 1HD2 LEU 41 9.171 -24.527 21.047
297 2HD2 LEU 41 3HD2 LEU 41 7.547 -23.944 20.678
298 3HD2 LEU 41 2HD2 LEU 41 8.765 -22.828 21.298
299 H PHE 42 H PHE 42 6.292 -25.064 24.524
300 HA PHE 42 HA PHE 42 6.195 -23.398 26.777
301 1HB PHE 42 2HB PHE 42 4.518 -23.814 24.782
302 2HB PHE 42 1HB PHE 42 3.771 -24.910 25.933
303 HD1 PHE 42 HD2 PHE 42 3.291 -23.944 28.294
304 HD2 PHE 42 HD1 PHE 42 3.955 -21.540 24.822
305 HE1 PHE 42 HE2 PHE 42 2.150 -22.053 29.382
306 HE2 PHE 42 HE1 PHE 42 2.812 -19.653 25.914
307 HZ PHE 42 HZ PHE 42 1.909 -19.907 28.194
308 H LYS 43 H LYS 43 6.047 -26.840 26.485
309 HA LYS 43 HA LYS 43 4.993 -27.193 29.183
310 1HB LYS 43 2HB LYS 43 4.031 -28.865 27.994
311 2HB LYS 43 1HB LYS 43 5.278 -28.831 26.757
312 1HG LYS 43 2HG LYS 43 6.622 -30.303 27.879
313 2HG LYS 43 1HG LYS 43 5.932 -29.930 29.455
314 1HD LYS 43 2HD LYS 43 5.026 -32.028 29.006
315 2HD LYS 43 1HD LYS 43 3.755 -30.930 28.473
316 1HE LYS 43 2HE LYS 43 4.064 -31.423 26.264
317 2HE LYS 43 1HE LYS 43 5.794 -31.688 26.455
318 1HZ LYS 43 3HZ LYS 43 4.193 -33.622 27.842
319 2HZ LYS 43 2HZ LYS 43 3.914 -33.618 26.166
320 3HZ LYS 43 1HZ LYS 43 5.485 -33.854 26.767
321 H LYS 44 H LYS 44 7.833 -28.356 27.361
322 HA LYS 44 HA LYS 44 9.304 -29.302 29.518
323 1HB LYS 44 2HB LYS 44 10.005 -28.300 26.798
324 2HB LYS 44 1HB LYS 44 11.303 -28.590 27.952
325 1HG LYS 44 2HG LYS 44 9.641 -30.845 28.170
326 2HG LYS 44 1HG LYS 44 9.746 -30.527 26.436
327 1HD LYS 44 2HD LYS 44 11.632 -31.806 26.662
328 2HD LYS 44 1HD LYS 44 12.347 -30.222 26.998
329 1HE LYS 44 2HE LYS 44 11.628 -32.452 28.912
330 2HE LYS 44 1HE LYS 44 13.152 -31.583 28.760
331 1HZ LYS 44 2HZ LYS 44 11.852 -29.571 29.535
332 2HZ LYS 44 1HZ LYS 44 10.623 -30.656 29.982
333 3HZ LYS 44 3HZ LYS 44 12.159 -30.776 30.692
334 H PHE 45 H PHE 45 8.963 -26.045 28.294
335 HA PHE 45 HA PHE 45 11.081 -24.791 29.629
336 1HB PHE 45 2HB PHE 45 9.699 -23.720 27.888
337 2HB PHE 45 1HB PHE 45 8.350 -23.655 29.014
338 HD1 PHE 45 HD1 PHE 45 11.992 -22.794 29.115
339 HD2 PHE 45 HD2 PHE 45 7.977 -21.565 29.888
340 HE1 PHE 45 HE1 PHE 45 12.816 -20.631 29.964
341 HE2 PHE 45 HE2 PHE 45 8.802 -19.404 30.737
342 HZ PHE 45 HZ PHE 45 11.221 -18.937 30.775
343 H THR 46 H THR 46 8.080 -26.031 30.822
344 HA THR 46 HA THR 46 8.807 -25.147 33.519
345 HB THR 46 HB THR 46 6.252 -24.924 33.871
346 HG1 THR 46 HG1 THR 46 5.379 -25.518 31.987
347 1HG2 THR 46 1HG2 THR 46 8.244 -23.045 32.846
348 2HG2 THR 46 3HG2 THR 46 6.581 -22.547 32.533
349 3HG2 THR 46 2HG2 THR 46 7.108 -22.873 34.185
350 H SER 47 H SER 47 9.553 -27.540 32.880
351 HA SER 47 HA SER 47 7.625 -29.306 34.218
352 1HB SER 47 2HB SER 47 8.768 -29.669 31.483
353 2HB SER 47 1HB SER 47 8.480 -31.085 32.486
354 HG SER 47 HG SER 47 6.515 -29.081 32.007
355 H LYS 48 H LYS 48 10.916 -28.893 32.963
356 HA LYS 48 HA LYS 48 12.927 -29.845 33.586
357 1HB LYS 48 2HB LYS 48 11.685 -29.065 36.216
358 2HB LYS 48 1HB LYS 48 13.397 -29.399 35.992
359 1HG LYS 48 2HG LYS 48 13.402 -27.103 35.826
360 2HG LYS 48 1HG LYS 48 13.139 -27.495 34.132
361 1HD LYS 48 2HD LYS 48 10.640 -27.369 34.680
362 2HD LYS 48 1HD LYS 48 11.133 -26.607 36.186
363 1HE LYS 48 2HE LYS 48 11.190 -25.550 33.414
364 2HE LYS 48 1HE LYS 48 10.866 -24.718 34.931
365 1HZ LYS 48 3HZ LYS 48 13.242 -24.815 35.427
366 2HZ LYS 48 2HZ LYS 48 13.530 -25.566 33.930
367 3HZ LYS 48 1HZ LYS 48 12.935 -23.976 33.984
368 H ALA 49 H ALA 49 12.778 -31.997 33.031
369 HA ALA 49 HA ALA 49 11.375 -34.008 34.345
370 1HB ALA 49 3HB ALA 49 13.293 -33.788 32.271
371 2HB ALA 49 2HB ALA 49 13.849 -35.048 33.376
372 3HB ALA 49 1HB ALA 49 12.247 -35.160 32.643
373 H SER 50 H SER 50 11.487 -34.403 36.463
374 HA SER 50 HA SER 50 14.150 -34.499 37.746
375 1HB SER 50 2HB SER 50 11.454 -33.906 38.972
376 2HB SER 50 1HB SER 50 12.964 -34.045 39.865
377 HG SER 50 HG SER 50 12.198 -31.846 39.118
No H/Q in entry = 377
Start of MODEL 22
1 1H ALA 1 2H ALA 1 -0.840 -60.848 7.423
2 2H ALA 1 1H ALA 1 -1.090 -62.089 6.290
3 3H ALA 1 3H ALA 1 -0.760 -62.475 7.908
4 HA ALA 1 HA ALA 1 1.424 -62.266 7.675
5 1HB ALA 1 2HB ALA 1 0.285 -63.163 5.279
6 2HB ALA 1 1HB ALA 1 1.535 -62.013 4.798
7 3HB ALA 1 3HB ALA 1 1.951 -63.392 5.816
8 H GLU 2 H GLU 2 3.276 -61.091 6.359
9 HA GLU 2 HA GLU 2 3.012 -58.309 6.962
10 1HB GLU 2 2HB GLU 2 5.303 -58.183 5.901
11 2HB GLU 2 1HB GLU 2 5.166 -59.307 7.252
12 1HG GLU 2 2HG GLU 2 4.568 -60.510 4.642
13 2HG GLU 2 1HG GLU 2 6.223 -59.919 4.796
14 H GLY 3 H GLY 3 1.285 -57.607 5.659
15 1HA GLY 3 2HA GLY 3 0.863 -57.890 2.997
16 2HA GLY 3 1HA GLY 3 0.439 -56.438 3.890
17 H ASP 4 H ASP 4 0.987 -55.833 1.461
18 HA ASP 4 HA ASP 4 3.493 -55.612 0.382
19 1HB ASP 4 2HB ASP 4 0.992 -54.156 0.168
20 2HB ASP 4 1HB ASP 4 2.383 -53.088 -0.053
21 H ASP 5 H ASP 5 2.071 -52.821 1.969
22 HA ASP 5 HA ASP 5 4.170 -52.388 3.817
23 1HB ASP 5 2HB ASP 5 5.344 -51.810 1.727
24 2HB ASP 5 1HB ASP 5 4.078 -50.640 1.359
25 HA PRO 6 HA PRO 6 0.555 -50.267 5.375
26 1HB PRO 6 2HB PRO 6 1.781 -49.105 7.524
27 2HB PRO 6 1HB PRO 6 1.226 -50.789 7.488
28 1HG PRO 6 2HG PRO 6 3.973 -49.699 7.016
29 2HG PRO 6 1HG PRO 6 3.475 -51.113 7.968
30 1HD PRO 6 2HD PRO 6 4.462 -51.410 5.491
31 2HD PRO 6 1HD PRO 6 3.130 -52.435 6.067
32 H ALA 7 H ALA 7 3.508 -48.899 4.307
33 HA ALA 7 HA ALA 7 3.080 -46.147 4.635
34 1HB ALA 7 2HB ALA 7 4.512 -47.748 2.502
35 2HB ALA 7 1HB ALA 7 4.579 -45.984 2.608
36 3HB ALA 7 3HB ALA 7 5.226 -46.971 3.921
37 H LYS 8 H LYS 8 1.844 -48.504 2.394
38 HA LYS 8 HA LYS 8 0.802 -46.738 0.435
39 1HB LYS 8 2HB LYS 8 -0.259 -48.665 -0.466
40 2HB LYS 8 1HB LYS 8 1.284 -49.208 0.191
41 1HG LYS 8 2HG LYS 8 0.006 -50.814 1.149
42 2HG LYS 8 1HG LYS 8 -0.296 -49.564 2.354
43 1HD LYS 8 2HD LYS 8 -2.375 -48.962 1.328
44 2HD LYS 8 1HD LYS 8 -2.037 -49.961 -0.080
45 1HE LYS 8 2HE LYS 8 -3.630 -50.772 1.910
46 2HE LYS 8 1HE LYS 8 -2.650 -51.893 0.973
47 1HZ LYS 8 2HZ LYS 8 -1.596 -50.642 3.430
48 2HZ LYS 8 1HZ LYS 8 -2.581 -52.024 3.511
49 3HZ LYS 8 3HZ LYS 8 -1.108 -52.083 2.673
50 H ALA 9 H ALA 9 -0.413 -47.960 3.475
51 HA ALA 9 HA ALA 9 -3.153 -47.329 3.087
52 1HB ALA 9 2HB ALA 9 -1.552 -47.586 5.639
53 2HB ALA 9 1HB ALA 9 -3.313 -47.543 5.540
54 3HB ALA 9 3HB ALA 9 -2.422 -48.884 4.819
55 H ALA 10 H ALA 10 -0.397 -45.496 4.276
56 HA ALA 10 HA ALA 10 -2.031 -43.245 5.098
57 1HB ALA 10 3HB ALA 10 0.363 -44.134 5.945
58 2HB ALA 10 2HB ALA 10 0.895 -42.920 4.780
59 3HB ALA 10 1HB ALA 10 -0.159 -42.456 6.117
60 H PHE 11 H PHE 11 0.399 -43.864 2.566
61 HA PHE 11 HA PHE 11 0.317 -41.381 1.304
62 1HB PHE 11 2HB PHE 11 1.923 -43.274 0.877
63 2HB PHE 11 1HB PHE 11 0.661 -44.038 -0.079
64 HD1 PHE 11 HD2 PHE 11 0.430 -40.515 -0.420
65 HD2 PHE 11 HD1 PHE 11 2.693 -43.891 -1.777
66 HE1 PHE 11 HE2 PHE 11 1.171 -39.239 -2.390
67 HE2 PHE 11 HE1 PHE 11 3.421 -42.602 -3.738
68 HZ PHE 11 HZ PHE 11 2.664 -40.281 -4.048
69 H ASN 12 H ASN 12 -1.788 -44.179 0.967
70 HA ASN 12 HA ASN 12 -3.226 -43.254 -1.303
71 1HB ASN 12 2HB ASN 12 -3.105 -45.629 -0.430
72 2HB ASN 12 1HB ASN 12 -4.264 -45.137 0.807
73 1HD2 ASN 12 1HD2 ASN 12 -5.654 -46.754 -0.216
74 2HD2 ASN 12 2HD2 ASN 12 -6.583 -46.315 -1.604
75 H SER 13 H SER 13 -3.587 -42.728 2.151
76 HA SER 13 HA SER 13 -6.186 -41.452 1.790
77 1HB SER 13 2HB SER 13 -5.357 -42.931 3.800
78 2HB SER 13 1HB SER 13 -4.712 -41.402 4.378
79 HG SER 13 HG SER 13 -6.958 -41.961 5.008
80 H LEU 14 H LEU 14 -2.875 -40.580 2.686
81 HA LEU 14 HA LEU 14 -3.262 -37.911 3.361
82 1HB LEU 14 2HB LEU 14 -1.115 -39.324 3.429
83 2HB LEU 14 1HB LEU 14 -0.892 -38.830 1.755
84 HG LEU 14 HG LEU 14 -1.150 -36.458 2.560
85 1HD1 LEU 14 2HD1 LEU 14 -2.158 -37.243 4.795
86 2HD1 LEU 14 1HD1 LEU 14 -0.483 -37.486 5.296
87 3HD1 LEU 14 3HD1 LEU 14 -1.037 -35.882 4.816
88 1HD2 LEU 14 3HD2 LEU 14 1.200 -38.105 3.477
89 2HD2 LEU 14 2HD2 LEU 14 1.037 -37.187 1.976
90 3HD2 LEU 14 1HD2 LEU 14 1.177 -36.342 3.519
91 H GLN 15 H GLN 15 -3.436 -39.457 0.285
92 HA GLN 15 HA GLN 15 -3.308 -36.954 -1.206
93 1HB GLN 15 2HB GLN 15 -2.447 -39.345 -1.912
94 2HB GLN 15 1HB GLN 15 -4.113 -39.550 -2.435
95 1HG GLN 15 2HG GLN 15 -3.818 -37.318 -3.666
96 2HG GLN 15 1HG GLN 15 -2.092 -37.545 -3.391
97 1HE2 GLN 15 2HD2 GLN 15 -2.099 -40.659 -5.333
98 2HE2 GLN 15 1HD2 GLN 15 -1.659 -40.143 -3.744
99 H ALA 16 H ALA 16 -5.618 -38.516 0.583
100 HA ALA 16 HA ALA 16 -7.864 -37.831 -1.167
101 1HB ALA 16 2HB ALA 16 -7.600 -39.462 1.357
102 2HB ALA 16 1HB ALA 16 -9.171 -38.981 0.708
103 3HB ALA 16 3HB ALA 16 -8.096 -40.002 -0.249
104 H SER 17 H SER 17 -6.128 -36.708 1.586
105 HA SER 17 HA SER 17 -8.276 -34.779 2.221
106 1HB SER 17 2HB SER 17 -7.854 -36.029 4.168
107 2HB SER 17 1HB SER 17 -6.113 -36.036 3.893
108 HG SER 17 HG SER 17 -6.014 -34.205 4.953
109 H ALA 18 H ALA 18 -4.746 -35.127 1.968
110 HA ALA 18 HA ALA 18 -3.888 -32.559 2.330
111 1HB ALA 18 3HB ALA 18 -2.905 -34.534 0.266
112 2HB ALA 18 2HB ALA 18 -2.026 -33.097 0.796
113 3HB ALA 18 1HB ALA 18 -2.357 -34.402 1.939
114 H THR 19 H THR 19 -5.654 -33.802 -0.423
115 HA THR 19 HA THR 19 -5.057 -31.790 -2.288
116 HB THR 19 HB THR 19 -7.806 -32.687 -2.452
117 HG1 THR 19 HG1 THR 19 -7.434 -34.565 -1.545
118 1HG2 THR 19 2HG2 THR 19 -6.402 -31.882 -4.338
119 2HG2 THR 19 1HG2 THR 19 -5.401 -33.326 -4.166
120 3HG2 THR 19 3HG2 THR 19 -7.098 -33.479 -4.625
121 H GLU 20 H GLU 20 -7.704 -31.990 0.084
122 HA GLU 20 HA GLU 20 -8.922 -29.555 -0.543
123 1HB GLU 20 2HB GLU 20 -8.872 -31.420 1.768
124 2HB GLU 20 1HB GLU 20 -9.470 -29.801 2.058
125 1HG GLU 20 2HG GLU 20 -11.216 -31.529 1.428
126 2HG GLU 20 1HG GLU 20 -11.226 -30.056 0.466
127 H TYR 21 H TYR 21 -5.897 -30.200 0.945
128 HA TYR 21 HA TYR 21 -5.778 -27.672 2.370
129 1HB TYR 21 2HB TYR 21 -3.760 -29.884 1.999
130 2HB TYR 21 1HB TYR 21 -3.508 -28.457 2.985
131 HD1 TYR 21 HD1 TYR 21 -6.895 -29.275 3.310
132 HD2 TYR 21 HD2 TYR 21 -3.018 -30.594 4.528
133 HE1 TYR 21 HE1 TYR 21 -7.893 -30.446 5.231
134 HE2 TYR 21 HE2 TYR 21 -4.025 -31.763 6.448
135 HH TYR 21 HH TYR 21 -7.525 -31.681 7.044
136 H ILE 22 H ILE 22 -5.074 -28.837 -0.785
137 HA ILE 22 HA ILE 22 -2.823 -27.577 -1.618
138 HB ILE 22 HB ILE 22 -5.495 -28.135 -2.845
139 1HG1 ILE 22 2HG1 ILE 22 -3.635 -29.898 -2.416
140 2HG1 ILE 22 1HG1 ILE 22 -4.295 -29.797 -4.071
141 1HG2 ILE 22 1HG2 ILE 22 -3.395 -26.385 -4.019
142 2HG2 ILE 22 3HG2 ILE 22 -4.233 -27.525 -5.072
143 3HG2 ILE 22 2HG2 ILE 22 -5.152 -26.320 -4.167
144 1HD1 ILE 22 1HD1 ILE 22 -2.354 -28.395 -4.733
145 2HD1 ILE 22 3HD1 ILE 22 -1.703 -28.544 -3.099
146 3HD1 ILE 22 2HD1 ILE 22 -1.844 -29.974 -4.125
147 H GLY 23 H GLY 23 -5.817 -26.062 -0.631
148 1HA GLY 23 2HA GLY 23 -4.922 -23.444 -1.614
149 2HA GLY 23 1HA GLY 23 -6.533 -23.827 -1.011
150 H TYR 24 H TYR 24 -6.043 -24.966 1.402
151 HA TYR 24 HA TYR 24 -4.748 -22.777 2.919
152 1HB TYR 24 2HB TYR 24 -6.348 -24.063 4.734
153 2HB TYR 24 1HB TYR 24 -6.765 -22.597 3.865
154 HD1 TYR 24 HD1 TYR 24 -7.920 -22.930 1.555
155 HD2 TYR 24 HD2 TYR 24 -7.710 -25.934 4.579
156 HE1 TYR 24 HE1 TYR 24 -9.837 -24.091 0.536
157 HE2 TYR 24 HE2 TYR 24 -9.627 -27.092 3.556
158 HH TYR 24 HH TYR 24 -11.661 -25.705 1.355
159 H ALA 25 H ALA 25 -3.069 -24.755 1.997
160 HA ALA 25 HA ALA 25 -2.740 -26.835 3.980
161 1HB ALA 25 3HB ALA 25 -1.089 -25.931 1.612
162 2HB ALA 25 2HB ALA 25 -0.540 -27.192 2.715
163 3HB ALA 25 1HB ALA 25 -2.020 -27.421 1.783
164 H TRP 26 H TRP 26 -1.203 -23.753 3.194
165 HA TRP 26 HA TRP 26 0.967 -23.850 4.939
166 1HB TRP 26 2HB TRP 26 -0.636 -21.732 3.607
167 2HB TRP 26 1HB TRP 26 0.412 -21.250 4.930
168 HD1 TRP 26 1HD TRP 26 0.559 -21.300 1.362
169 HE1 TRP 26 1HE TRP 26 2.940 -21.603 0.494
170 HE3 TRP 26 3HE TRP 26 2.860 -22.982 5.619
171 HZ2 TRP 26 2HZ TRP 26 5.452 -22.427 1.426
172 HZ3 TRP 26 3HZ TRP 26 5.264 -23.510 5.556
173 HH2 TRP 26 HH2 TRP 26 6.551 -23.236 3.478
174 H ALA 27 H ALA 27 -2.292 -22.511 5.442
175 HA ALA 27 HA ALA 27 -1.911 -21.750 8.136
176 1HB ALA 27 1HB ALA 27 -4.161 -22.006 6.263
177 2HB ALA 27 3HB ALA 27 -4.593 -22.240 7.958
178 3HB ALA 27 2HB ALA 27 -3.809 -20.744 7.447
179 H MET 28 H MET 28 -3.045 -24.746 6.635
180 HA MET 28 HA MET 28 -3.873 -26.033 9.002
181 1HB MET 28 2HB MET 28 -4.403 -26.692 6.606
182 2HB MET 28 1HB MET 28 -2.761 -27.310 6.496
183 1HG MET 28 2HG MET 28 -4.659 -28.963 7.013
184 2HG MET 28 1HG MET 28 -3.178 -29.067 7.938
185 1HE MET 28 3HE MET 28 -6.936 -28.825 7.953
186 2HE MET 28 2HE MET 28 -7.364 -27.927 9.408
187 3HE MET 28 1HE MET 28 -6.646 -27.082 8.037
188 H VAL 29 H VAL 29 -0.813 -25.694 7.334
189 HA VAL 29 HA VAL 29 0.653 -27.585 8.904
190 HB VAL 29 HB VAL 29 1.592 -25.234 7.258
191 1HG1 VAL 29 2HG1 VAL 29 3.104 -26.488 9.085
192 2HG1 VAL 29 1HG1 VAL 29 3.330 -27.584 7.720
193 3HG1 VAL 29 3HG1 VAL 29 3.747 -25.878 7.558
194 1HG2 VAL 29 3HG2 VAL 29 0.383 -27.634 6.453
195 2HG2 VAL 29 2HG2 VAL 29 1.218 -26.457 5.437
196 3HG2 VAL 29 1HG2 VAL 29 2.106 -27.822 6.118
197 H VAL 30 H VAL 30 0.311 -24.054 8.919
198 HA VAL 30 HA VAL 30 1.985 -23.477 11.088
199 HB VAL 30 HB VAL 30 -0.524 -22.105 10.143
200 1HG1 VAL 30 2HG1 VAL 30 1.591 -21.210 12.091
201 2HG1 VAL 30 1HG1 VAL 30 0.493 -20.092 11.279
202 3HG1 VAL 30 3HG1 VAL 30 -0.150 -21.334 12.356
203 1HG2 VAL 30 3HG2 VAL 30 1.585 -22.406 8.636
204 2HG2 VAL 30 2HG2 VAL 30 0.781 -20.836 8.724
205 3HG2 VAL 30 1HG2 VAL 30 2.255 -21.127 9.652
206 H VAL 31 H VAL 31 -1.455 -24.269 10.951
207 HA VAL 31 HA VAL 31 -2.126 -23.995 13.641
208 HB VAL 31 HB VAL 31 -3.168 -25.353 11.267
209 1HG1 VAL 31 2HG1 VAL 31 -3.827 -26.525 13.969
210 2HG1 VAL 31 1HG1 VAL 31 -4.794 -26.775 12.513
211 3HG1 VAL 31 3HG1 VAL 31 -3.129 -27.361 12.579
212 1HG2 VAL 31 3HG2 VAL 31 -4.306 -23.808 13.579
213 2HG2 VAL 31 2HG2 VAL 31 -4.176 -23.331 11.884
214 3HG2 VAL 31 1HG2 VAL 31 -5.340 -24.567 12.367
215 H ILE 32 H ILE 32 -1.164 -26.948 11.935
216 HA ILE 32 HA ILE 32 -0.901 -28.686 14.063
217 HB ILE 32 HB ILE 32 0.520 -28.432 11.440
218 1HG1 ILE 32 2HG1 ILE 32 -1.498 -30.442 12.418
219 2HG1 ILE 32 1HG1 ILE 32 -1.877 -29.010 11.464
220 1HG2 ILE 32 3HG2 ILE 32 1.152 -30.260 13.667
221 2HG2 ILE 32 2HG2 ILE 32 0.958 -31.027 12.089
222 3HG2 ILE 32 1HG2 ILE 32 2.151 -29.743 12.306
223 1HD1 ILE 32 3HD1 ILE 32 0.118 -31.060 10.529
224 2HD1 ILE 32 2HD1 ILE 32 -1.606 -31.201 10.180
225 3HD1 ILE 32 1HD1 ILE 32 -0.696 -29.811 9.581
226 H VAL 33 H VAL 33 1.549 -26.491 12.690
227 HA VAL 33 HA VAL 33 3.635 -27.201 14.412
228 HB VAL 33 HB VAL 33 3.161 -24.590 12.994
229 1HG1 VAL 33 2HG1 VAL 33 4.915 -24.591 14.761
230 2HG1 VAL 33 1HG1 VAL 33 5.750 -25.861 13.865
231 3HG1 VAL 33 3HG1 VAL 33 5.533 -24.269 13.139
232 1HG2 VAL 33 2HG2 VAL 33 3.564 -27.189 11.935
233 2HG2 VAL 33 1HG2 VAL 33 3.516 -25.651 11.070
234 3HG2 VAL 33 3HG2 VAL 33 5.051 -26.272 11.680
235 H GLY 34 H GLY 34 1.644 -24.246 14.434
236 1HA GLY 34 2HA GLY 34 2.522 -23.172 16.833
237 2HA GLY 34 1HA GLY 34 0.925 -22.891 16.142
238 H ALA 35 H ALA 35 0.168 -25.718 16.275
239 HA ALA 35 HA ALA 35 -0.745 -25.734 19.026
240 1HB ALA 35 3HB ALA 35 -2.243 -26.309 17.129
241 2HB ALA 35 2HB ALA 35 -1.257 -27.741 16.825
242 3HB ALA 35 1HB ALA 35 -2.146 -27.587 18.342
243 H THR 36 H THR 36 1.512 -27.525 17.021
244 HA THR 36 HA THR 36 1.985 -29.541 19.055
245 HB THR 36 HB THR 36 3.383 -28.983 16.440
246 HG1 THR 36 HG1 THR 36 1.595 -31.090 17.044
247 1HG2 THR 36 1HG2 THR 36 3.851 -30.952 18.598
248 2HG2 THR 36 3HG2 THR 36 3.879 -31.579 16.948
249 3HG2 THR 36 2HG2 THR 36 4.973 -30.276 17.417
250 H ILE 37 H ILE 37 4.007 -27.095 17.427
251 HA ILE 37 HA ILE 37 6.261 -27.308 19.006
252 HB ILE 37 HB ILE 37 5.077 -24.987 17.549
253 1HG1 ILE 37 2HG1 ILE 37 5.917 -27.206 16.484
254 2HG1 ILE 37 1HG1 ILE 37 6.340 -25.667 15.773
255 1HG2 ILE 37 1HG2 ILE 37 7.386 -25.032 19.344
256 2HG2 ILE 37 3HG2 ILE 37 7.741 -24.414 17.730
257 3HG2 ILE 37 2HG2 ILE 37 6.474 -23.665 18.702
258 1HD1 ILE 37 3HD1 ILE 37 8.091 -27.133 17.723
259 2HD1 ILE 37 2HD1 ILE 37 8.241 -27.292 15.971
260 3HD1 ILE 37 1HD1 ILE 37 8.522 -25.731 16.746
261 H GLY 38 H GLY 38 3.470 -25.138 19.465
262 1HA GLY 38 2HA GLY 38 4.345 -23.783 21.745
263 2HA GLY 38 1HA GLY 38 2.655 -24.059 21.324
264 H ILE 39 H ILE 39 2.064 -26.531 21.695
265 HA ILE 39 HA ILE 39 1.952 -26.970 24.434
266 HB ILE 39 HB ILE 39 1.756 -28.967 22.182
267 1HG1 ILE 39 2HG1 ILE 39 -0.358 -27.395 23.666
268 2HG1 ILE 39 1HG1 ILE 39 0.168 -27.115 22.008
269 1HG2 ILE 39 1HG2 ILE 39 2.146 -30.052 24.376
270 2HG2 ILE 39 3HG2 ILE 39 0.753 -29.189 25.032
271 3HG2 ILE 39 2HG2 ILE 39 0.527 -30.383 23.751
272 1HD1 ILE 39 1HD1 ILE 39 -0.617 -29.887 22.471
273 2HD1 ILE 39 3HD1 ILE 39 -1.927 -28.750 22.798
274 3HD1 ILE 39 2HD1 ILE 39 -1.144 -28.762 21.216
275 H LYS 40 H LYS 40 4.520 -27.639 22.223
276 HA LYS 40 HA LYS 40 5.834 -29.508 24.041
277 1HB LYS 40 2HB LYS 40 5.775 -29.603 21.431
278 2HB LYS 40 1HB LYS 40 7.086 -28.430 21.546
279 1HG LYS 40 2HG LYS 40 8.169 -30.090 23.187
280 2HG LYS 40 1HG LYS 40 7.003 -31.259 22.576
281 1HD LYS 40 2HD LYS 40 7.970 -31.340 20.486
282 2HD LYS 40 1HD LYS 40 8.611 -29.703 20.601
283 1HE LYS 40 2HE LYS 40 10.513 -31.071 20.767
284 2HE LYS 40 1HE LYS 40 10.154 -30.636 22.435
285 1HZ LYS 40 2HZ LYS 40 8.701 -32.910 21.967
286 2HZ LYS 40 1HZ LYS 40 10.190 -33.201 21.201
287 3HZ LYS 40 3HZ LYS 40 10.149 -32.798 22.849
288 H LEU 41 H LEU 41 6.578 -26.373 22.499
289 HA LEU 41 HA LEU 41 8.961 -25.894 23.896
290 1HB LEU 41 2HB LEU 41 8.619 -23.513 23.283
291 2HB LEU 41 1HB LEU 41 8.427 -24.602 21.909
292 HG LEU 41 HG LEU 41 5.893 -24.497 22.656
293 1HD1 LEU 41 3HD1 LEU 41 6.895 -22.778 24.520
294 2HD1 LEU 41 2HD1 LEU 41 6.414 -21.663 23.239
295 3HD1 LEU 41 1HD1 LEU 41 5.229 -22.766 23.940
296 1HD2 LEU 41 3HD2 LEU 41 7.556 -23.077 20.777
297 2HD2 LEU 41 2HD2 LEU 41 5.907 -23.672 20.580
298 3HD2 LEU 41 1HD2 LEU 41 6.190 -22.075 21.272
299 H PHE 42 H PHE 42 5.665 -24.935 24.639
300 HA PHE 42 HA PHE 42 6.022 -23.313 26.828
301 1HB PHE 42 2HB PHE 42 3.862 -24.246 25.668
302 2HB PHE 42 1HB PHE 42 3.928 -25.441 26.955
303 HD1 PHE 42 HD2 PHE 42 3.623 -24.792 29.282
304 HD2 PHE 42 HD1 PHE 42 3.368 -21.925 26.130
305 HE1 PHE 42 HE2 PHE 42 2.560 -23.192 30.825
306 HE2 PHE 42 HE1 PHE 42 2.303 -20.324 27.673
307 HZ PHE 42 HZ PHE 42 1.899 -20.958 30.021
308 H LYS 43 H LYS 43 6.586 -26.734 26.609
309 HA LYS 43 HA LYS 43 6.871 -26.994 29.508
310 1HB LYS 43 2HB LYS 43 5.813 -28.905 28.897
311 2HB LYS 43 1HB LYS 43 6.372 -28.796 27.235
312 1HG LYS 43 2HG LYS 43 8.295 -29.943 27.660
313 2HG LYS 43 1HG LYS 43 8.343 -29.494 29.360
314 1HD LYS 43 2HD LYS 43 7.739 -31.747 29.442
315 2HD LYS 43 1HD LYS 43 6.195 -30.906 29.573
316 1HE LYS 43 2HE LYS 43 5.997 -32.749 27.992
317 2HE LYS 43 1HE LYS 43 5.844 -31.213 27.143
318 1HZ LYS 43 3HZ LYS 43 8.467 -32.532 27.361
319 2HZ LYS 43 2HZ LYS 43 7.353 -33.039 26.182
320 3HZ LYS 43 1HZ LYS 43 7.913 -31.435 26.192
321 H LYS 44 H LYS 44 8.785 -27.939 26.651
322 HA LYS 44 HA LYS 44 11.202 -28.327 27.992
323 1HB LYS 44 2HB LYS 44 10.785 -27.438 25.139
324 2HB LYS 44 1HB LYS 44 12.244 -28.188 25.780
325 1HG LYS 44 2HG LYS 44 9.658 -29.649 26.163
326 2HG LYS 44 1HG LYS 44 10.338 -29.613 24.538
327 1HD LYS 44 2HD LYS 44 11.085 -31.611 25.773
328 2HD LYS 44 1HD LYS 44 12.442 -30.583 25.318
329 1HE LYS 44 2HE LYS 44 11.224 -30.241 28.049
330 2HE LYS 44 1HE LYS 44 12.255 -31.629 27.739
331 1HZ LYS 44 1HZ LYS 44 13.944 -30.039 26.889
332 2HZ LYS 44 3HZ LYS 44 12.976 -28.770 27.460
333 3HZ LYS 44 2HZ LYS 44 13.617 -29.902 28.549
334 H PHE 45 H PHE 45 9.727 -25.419 26.777
335 HA PHE 45 HA PHE 45 11.813 -23.644 26.589
336 1HB PHE 45 2HB PHE 45 9.540 -23.004 26.069
337 2HB PHE 45 1HB PHE 45 9.064 -23.162 27.755
338 HD1 PHE 45 HD1 PHE 45 12.315 -21.711 26.887
339 HD2 PHE 45 HD2 PHE 45 8.226 -20.877 27.789
340 HE1 PHE 45 HE1 PHE 45 12.878 -19.340 27.251
341 HE2 PHE 45 HE2 PHE 45 8.791 -18.506 28.155
342 HZ PHE 45 HZ PHE 45 11.117 -17.738 27.887
343 H THR 46 H THR 46 10.037 -24.464 29.566
344 HA THR 46 HA THR 46 12.429 -23.930 31.128
345 HB THR 46 HB THR 46 11.040 -22.528 32.731
346 HG1 THR 46 HG1 THR 46 9.229 -21.533 31.835
347 1HG2 THR 46 3HG2 THR 46 12.676 -21.810 30.679
348 2HG2 THR 46 2HG2 THR 46 11.206 -20.921 30.273
349 3HG2 THR 46 1HG2 THR 46 11.978 -20.681 31.842
350 H SER 47 H SER 47 9.068 -24.022 32.180
351 HA SER 47 HA SER 47 8.737 -26.722 32.695
352 1HB SER 47 2HB SER 47 10.399 -25.313 34.711
353 2HB SER 47 1HB SER 47 9.162 -26.408 35.315
354 HG SER 47 HG SER 47 11.116 -27.082 33.347
355 H LYS 48 H LYS 48 6.804 -27.135 33.771
356 HA LYS 48 HA LYS 48 4.710 -25.532 33.539
357 1HB LYS 48 2HB LYS 48 4.986 -27.281 35.966
358 2HB LYS 48 1HB LYS 48 3.513 -26.858 35.106
359 1HG LYS 48 2HG LYS 48 5.704 -28.745 34.270
360 2HG LYS 48 1HG LYS 48 3.982 -29.059 34.423
361 1HD LYS 48 2HD LYS 48 5.363 -27.432 32.283
362 2HD LYS 48 1HD LYS 48 4.519 -28.963 32.087
363 1HE LYS 48 2HE LYS 48 2.958 -26.706 33.235
364 2HE LYS 48 1HE LYS 48 3.378 -26.604 31.529
365 1HZ LYS 48 3HZ LYS 48 2.114 -28.999 32.724
366 2HZ LYS 48 2HZ LYS 48 1.214 -27.715 32.069
367 3HZ LYS 48 1HZ LYS 48 2.267 -28.609 31.080
368 H ALA 49 H ALA 49 6.261 -25.898 36.726
369 HA ALA 49 HA ALA 49 5.032 -23.522 37.761
370 1HB ALA 49 1HB ALA 49 6.514 -25.779 38.739
371 2HB ALA 49 3HB ALA 49 7.185 -24.286 39.402
372 3HB ALA 49 2HB ALA 49 5.474 -24.662 39.630
373 H SER 50 H SER 50 6.138 -21.636 38.480
374 HA SER 50 HA SER 50 8.871 -21.137 37.703
375 1HB SER 50 2HB SER 50 6.603 -19.790 36.235
376 2HB SER 50 1HB SER 50 8.261 -19.199 36.232
377 HG SER 50 HG SER 50 8.892 -20.973 35.103
No H/Q in entry = 377
Start of MODEL 23
1 1H ALA 1 1H ALA 1 -18.746 -31.575 -18.859
2 2H ALA 1 3H ALA 1 -20.257 -30.863 -19.147
3 3H ALA 1 2H ALA 1 -19.625 -31.988 -20.251
4 HA ALA 1 HA ALA 1 -18.496 -30.458 -21.340
5 1HB ALA 1 3HB ALA 1 -20.398 -28.951 -19.674
6 2HB ALA 1 2HB ALA 1 -19.065 -27.995 -20.327
7 3HB ALA 1 1HB ALA 1 -20.125 -28.893 -21.416
8 H GLU 2 H GLU 2 -16.664 -29.099 -21.398
9 HA GLU 2 HA GLU 2 -15.289 -28.608 -18.846
10 1HB GLU 2 2HB GLU 2 -13.183 -29.496 -19.831
11 2HB GLU 2 1HB GLU 2 -14.411 -30.737 -19.590
12 1HG GLU 2 2HG GLU 2 -14.361 -31.250 -21.766
13 2HG GLU 2 1HG GLU 2 -14.739 -29.582 -22.197
14 H GLY 3 H GLY 3 -15.613 -26.408 -19.111
15 1HA GLY 3 2HA GLY 3 -15.477 -24.759 -21.204
16 2HA GLY 3 1HA GLY 3 -14.823 -24.310 -19.638
17 H ASP 4 H ASP 4 -13.807 -23.323 -22.043
18 HA ASP 4 HA ASP 4 -11.099 -24.503 -22.065
19 1HB ASP 4 2HB ASP 4 -12.974 -24.202 -24.246
20 2HB ASP 4 1HB ASP 4 -11.496 -23.288 -24.561
21 H ASP 5 H ASP 5 -10.702 -22.775 -20.432
22 HA ASP 5 HA ASP 5 -10.405 -20.169 -21.753
23 1HB ASP 5 2HB ASP 5 -11.935 -20.676 -19.550
24 2HB ASP 5 1HB ASP 5 -10.408 -20.166 -18.832
25 HA PRO 6 HA PRO 6 -6.228 -21.760 -20.192
26 1HB PRO 6 2HB PRO 6 -5.088 -22.266 -22.600
27 2HB PRO 6 1HB PRO 6 -5.962 -23.499 -21.672
28 1HG PRO 6 2HG PRO 6 -6.890 -21.877 -23.998
29 2HG PRO 6 1HG PRO 6 -7.182 -23.587 -23.631
30 1HD PRO 6 2HD PRO 6 -9.011 -21.635 -23.188
31 2HD PRO 6 1HD PRO 6 -8.914 -23.117 -22.213
32 H ALA 7 H ALA 7 -7.582 -19.638 -22.525
33 HA ALA 7 HA ALA 7 -5.335 -18.063 -23.198
34 1HB ALA 7 1HB ALA 7 -8.308 -17.508 -23.215
35 2HB ALA 7 3HB ALA 7 -7.099 -16.417 -23.899
36 3HB ALA 7 2HB ALA 7 -7.313 -18.036 -24.573
37 H LYS 8 H LYS 8 -7.920 -17.670 -20.761
38 HA LYS 8 HA LYS 8 -6.508 -15.378 -19.572
39 1HB LYS 8 2HB LYS 8 -8.994 -16.578 -18.442
40 2HB LYS 8 1HB LYS 8 -8.519 -14.893 -18.508
41 1HG LYS 8 2HG LYS 8 -9.910 -16.581 -20.565
42 2HG LYS 8 1HG LYS 8 -10.253 -14.956 -20.031
43 1HD LYS 8 2HD LYS 8 -8.292 -15.869 -22.094
44 2HD LYS 8 1HD LYS 8 -9.505 -14.615 -22.193
45 1HE LYS 8 2HE LYS 8 -6.716 -14.474 -21.213
46 2HE LYS 8 1HE LYS 8 -7.680 -13.284 -22.068
47 1HZ LYS 8 2HZ LYS 8 -8.919 -13.395 -19.682
48 2HZ LYS 8 1HZ LYS 8 -7.296 -13.637 -19.238
49 3HZ LYS 8 3HZ LYS 8 -7.740 -12.257 -20.115
50 H ALA 9 H ALA 9 -5.445 -18.142 -19.449
51 HA ALA 9 HA ALA 9 -5.800 -19.466 -17.062
52 1HB ALA 9 3HB ALA 9 -3.447 -19.082 -18.865
53 2HB ALA 9 2HB ALA 9 -3.219 -19.896 -17.315
54 3HB ALA 9 1HB ALA 9 -4.354 -20.551 -18.499
55 H ALA 10 H ALA 10 -2.967 -17.369 -17.522
56 HA ALA 10 HA ALA 10 -2.269 -17.013 -14.892
57 1HB ALA 10 2HB ALA 10 -1.477 -15.936 -17.330
58 2HB ALA 10 1HB ALA 10 -1.956 -14.533 -16.372
59 3HB ALA 10 3HB ALA 10 -0.728 -15.640 -15.759
60 H PHE 11 H PHE 11 -4.449 -14.899 -16.775
61 HA PHE 11 HA PHE 11 -5.057 -13.045 -14.812
62 1HB PHE 11 2HB PHE 11 -5.789 -12.970 -17.204
63 2HB PHE 11 1HB PHE 11 -7.013 -14.166 -16.815
64 HD1 PHE 11 HD1 PHE 11 -5.934 -11.378 -14.633
65 HD2 PHE 11 HD2 PHE 11 -9.012 -12.812 -17.254
66 HE1 PHE 11 HE1 PHE 11 -7.413 -9.552 -13.914
67 HE2 PHE 11 HE2 PHE 11 -10.472 -10.983 -16.517
68 HZ PHE 11 HZ PHE 11 -9.679 -9.352 -14.853
69 H ASN 12 H ASN 12 -6.600 -16.179 -15.436
70 HA ASN 12 HA ASN 12 -8.495 -15.978 -13.312
71 1HB ASN 12 2HB ASN 12 -8.305 -17.590 -15.442
72 2HB ASN 12 1HB ASN 12 -7.579 -18.650 -14.233
73 1HD2 ASN 12 2HD2 ASN 12 -10.784 -19.692 -13.374
74 2HD2 ASN 12 1HD2 ASN 12 -9.207 -20.093 -13.957
75 H SER 13 H SER 13 -5.258 -17.343 -13.615
76 HA SER 13 HA SER 13 -5.053 -18.781 -11.259
77 1HB SER 13 2HB SER 13 -2.727 -17.136 -12.091
78 2HB SER 13 1HB SER 13 -2.808 -18.844 -11.683
79 HG SER 13 HG SER 13 -3.715 -19.246 -13.705
80 H LEU 14 H LEU 14 -4.938 -15.315 -11.783
81 HA LEU 14 HA LEU 14 -3.766 -14.413 -9.455
82 1HB LEU 14 2HB LEU 14 -4.478 -12.934 -11.274
83 2HB LEU 14 1HB LEU 14 -6.162 -13.223 -10.858
84 HG LEU 14 HG LEU 14 -5.785 -12.254 -8.659
85 1HD1 LEU 14 1HD1 LEU 14 -3.419 -12.849 -8.391
86 2HD1 LEU 14 3HD1 LEU 14 -2.987 -11.637 -9.599
87 3HD1 LEU 14 2HD1 LEU 14 -3.707 -11.140 -8.067
88 1HD2 LEU 14 1HD2 LEU 14 -6.500 -10.776 -10.493
89 2HD2 LEU 14 3HD2 LEU 14 -5.530 -9.924 -9.291
90 3HD2 LEU 14 2HD2 LEU 14 -4.807 -10.400 -10.829
91 H GLN 15 H GLN 15 -6.816 -15.972 -9.866
92 HA GLN 15 HA GLN 15 -8.156 -15.128 -7.542
93 1HB GLN 15 2HB GLN 15 -9.234 -16.368 -9.373
94 2HB GLN 15 1HB GLN 15 -8.296 -17.798 -8.949
95 1HG GLN 15 2HG GLN 15 -9.499 -16.982 -6.555
96 2HG GLN 15 1HG GLN 15 -10.752 -16.805 -7.786
97 1HE2 GLN 15 2HD2 GLN 15 -11.361 -20.228 -7.144
98 2HE2 GLN 15 1HD2 GLN 15 -11.886 -18.600 -6.879
99 H ALA 16 H ALA 16 -5.532 -17.343 -8.043
100 HA ALA 16 HA ALA 16 -5.739 -18.885 -5.688
101 1HB ALA 16 3HB ALA 16 -3.590 -18.254 -7.649
102 2HB ALA 16 2HB ALA 16 -3.109 -18.936 -6.093
103 3HB ALA 16 1HB ALA 16 -4.227 -19.818 -7.135
104 H SER 17 H SER 17 -4.641 -15.653 -6.284
105 HA SER 17 HA SER 17 -3.054 -15.319 -3.945
106 1HB SER 17 2HB SER 17 -3.184 -13.865 -6.092
107 2HB SER 17 1HB SER 17 -4.537 -13.081 -5.284
108 HG SER 17 HG SER 17 -1.950 -12.639 -4.918
109 H ALA 18 H ALA 18 -6.448 -14.670 -4.716
110 HA ALA 18 HA ALA 18 -7.038 -13.604 -2.104
111 1HB ALA 18 2HB ALA 18 -8.212 -13.080 -4.345
112 2HB ALA 18 1HB ALA 18 -9.090 -14.585 -4.065
113 3HB ALA 18 3HB ALA 18 -9.211 -13.263 -2.902
114 H THR 19 H THR 19 -7.748 -16.626 -3.834
115 HA THR 19 HA THR 19 -9.298 -17.933 -1.968
116 HB THR 19 HB THR 19 -7.123 -19.329 -3.473
117 HG1 THR 19 HG1 THR 19 -9.557 -18.272 -4.473
118 1HG2 THR 19 3HG2 THR 19 -9.941 -20.070 -2.689
119 2HG2 THR 19 2HG2 THR 19 -8.902 -21.054 -3.724
120 3HG2 THR 19 1HG2 THR 19 -8.444 -20.750 -2.046
121 H GLU 20 H GLU 20 -5.882 -17.270 -1.872
122 HA GLU 20 HA GLU 20 -4.984 -19.132 -0.023
123 1HB GLU 20 2HB GLU 20 -4.145 -16.473 -0.978
124 2HB GLU 20 1HB GLU 20 -3.540 -16.928 0.603
125 1HG GLU 20 2HG GLU 20 -2.634 -19.012 -0.330
126 2HG GLU 20 1HG GLU 20 -3.258 -18.570 -1.921
127 H TYR 21 H TYR 21 -7.019 -16.358 0.427
128 HA TYR 21 HA TYR 21 -6.662 -16.376 3.328
129 1HB TYR 21 2HB TYR 21 -7.985 -14.577 1.356
130 2HB TYR 21 1HB TYR 21 -8.558 -14.562 3.019
131 HD1 TYR 21 HD1 TYR 21 -5.754 -13.804 0.782
132 HD2 TYR 21 HD2 TYR 21 -7.147 -13.752 4.818
133 HE1 TYR 21 HE1 TYR 21 -3.888 -12.320 1.411
134 HE2 TYR 21 HE2 TYR 21 -5.281 -12.268 5.441
135 HH TYR 21 HH TYR 21 -2.723 -11.465 3.173
136 H ILE 22 H ILE 22 -9.199 -16.977 0.913
137 HA ILE 22 HA ILE 22 -11.216 -17.659 2.784
138 HB ILE 22 HB ILE 22 -10.834 -18.223 -0.157
139 1HG1 ILE 22 2HG1 ILE 22 -12.608 -16.207 1.261
140 2HG1 ILE 22 1HG1 ILE 22 -11.076 -15.839 0.437
141 1HG2 ILE 22 1HG2 ILE 22 -12.312 -19.893 0.860
142 2HG2 ILE 22 3HG2 ILE 22 -13.359 -18.599 1.440
143 3HG2 ILE 22 2HG2 ILE 22 -13.151 -18.853 -0.292
144 1HD1 ILE 22 2HD1 ILE 22 -13.445 -17.137 -0.958
145 2HD1 ILE 22 1HD1 ILE 22 -13.197 -15.390 -0.912
146 3HD1 ILE 22 3HD1 ILE 22 -12.011 -16.429 -1.707
147 H GLY 23 H GLY 23 -8.543 -19.357 1.389
148 1HA GLY 23 2HA GLY 23 -9.396 -21.825 2.761
149 2HA GLY 23 1HA GLY 23 -8.752 -21.884 1.119
150 H TYR 24 H TYR 24 -7.968 -20.795 4.393
151 HA TYR 24 HA TYR 24 -5.120 -20.822 3.810
152 1HB TYR 24 2HB TYR 24 -5.034 -20.181 6.311
153 2HB TYR 24 1HB TYR 24 -5.593 -19.004 5.135
154 HD1 TYR 24 HD1 TYR 24 -7.440 -21.900 6.544
155 HD2 TYR 24 HD2 TYR 24 -7.030 -17.663 6.389
156 HE1 TYR 24 HE1 TYR 24 -9.534 -21.654 7.820
157 HE2 TYR 24 HE2 TYR 24 -9.125 -17.411 7.661
158 HH TYR 24 HH TYR 24 -10.433 -19.398 9.468
159 H ALA 25 H ALA 25 -6.301 -23.361 3.584
160 HA ALA 25 HA ALA 25 -6.140 -24.953 5.896
161 1HB ALA 25 2HB ALA 25 -7.170 -25.724 3.781
162 2HB ALA 25 1HB ALA 25 -5.576 -25.746 3.023
163 3HB ALA 25 3HB ALA 25 -5.938 -26.854 4.348
164 H TRP 26 H TRP 26 -3.705 -23.852 3.624
165 HA TRP 26 HA TRP 26 -1.576 -25.501 4.519
166 1HB TRP 26 2HB TRP 26 -1.940 -23.249 2.708
167 2HB TRP 26 1HB TRP 26 -0.432 -23.145 3.605
168 HD1 TRP 26 1HD TRP 26 -1.693 -24.507 0.474
169 HE1 TRP 26 1HE TRP 26 -0.187 -26.375 -0.395
170 HE3 TRP 26 3HE TRP 26 1.060 -25.472 4.685
171 HZ2 TRP 26 2HZ TRP 26 1.874 -28.042 0.521
172 HZ3 TRP 26 3HZ TRP 26 2.787 -27.222 4.616
173 HH2 TRP 26 HH2 TRP 26 3.193 -28.499 2.554
174 H ALA 27 H ALA 27 -2.711 -22.273 5.401
175 HA ALA 27 HA ALA 27 -0.639 -21.628 7.220
176 1HB ALA 27 3HB ALA 27 -2.464 -20.111 6.187
177 2HB ALA 27 2HB ALA 27 -3.476 -20.673 7.519
178 3HB ALA 27 1HB ALA 27 -1.974 -19.808 7.854
179 H MET 28 H MET 28 -3.720 -23.329 7.578
180 HA MET 28 HA MET 28 -3.704 -23.501 10.390
181 1HB MET 28 2HB MET 28 -5.664 -23.946 8.867
182 2HB MET 28 1HB MET 28 -4.889 -25.455 8.402
183 1HG MET 28 2HG MET 28 -6.703 -25.560 10.199
184 2HG MET 28 1HG MET 28 -5.204 -26.413 10.498
185 1HE MET 28 2HE MET 28 -5.854 -26.785 12.646
186 2HE MET 28 1HE MET 28 -4.505 -26.057 13.514
187 3HE MET 28 3HE MET 28 -6.168 -25.639 13.948
188 H VAL 29 H VAL 29 -2.317 -25.427 7.804
189 HA VAL 29 HA VAL 29 -1.446 -27.641 9.343
190 HB VAL 29 HB VAL 29 -0.335 -26.456 6.800
191 1HG1 VAL 29 2HG1 VAL 29 0.203 -29.077 8.181
192 2HG1 VAL 29 1HG1 VAL 29 0.550 -28.804 6.473
193 3HG1 VAL 29 3HG1 VAL 29 1.366 -27.837 7.704
194 1HG2 VAL 29 2HG2 VAL 29 -2.799 -27.454 7.094
195 2HG2 VAL 29 1HG2 VAL 29 -1.853 -27.664 5.618
196 3HG2 VAL 29 3HG2 VAL 29 -1.919 -28.958 6.816
197 H VAL 30 H VAL 30 0.088 -24.617 8.352
198 HA VAL 30 HA VAL 30 2.600 -25.021 9.557
199 HB VAL 30 HB VAL 30 1.043 -22.516 8.956
200 1HG1 VAL 30 3HG1 VAL 30 2.778 -22.168 10.719
201 2HG1 VAL 30 2HG1 VAL 30 3.990 -22.704 9.553
202 3HG1 VAL 30 1HG1 VAL 30 3.047 -21.245 9.239
203 1HG2 VAL 30 3HG2 VAL 30 3.000 -24.189 7.450
204 2HG2 VAL 30 2HG2 VAL 30 1.490 -23.458 6.903
205 3HG2 VAL 30 1HG2 VAL 30 2.922 -22.453 7.138
206 H VAL 31 H VAL 31 -0.424 -23.643 10.724
207 HA VAL 31 HA VAL 31 0.421 -22.781 13.255
208 HB VAL 31 HB VAL 31 -2.007 -23.048 11.808
209 1HG1 VAL 31 2HG1 VAL 31 -2.211 -24.126 14.614
210 2HG1 VAL 31 1HG1 VAL 31 -3.583 -23.615 13.627
211 3HG1 VAL 31 3HG1 VAL 31 -2.591 -24.987 13.121
212 1HG2 VAL 31 2HG2 VAL 31 -0.930 -21.076 13.043
213 2HG2 VAL 31 1HG2 VAL 31 -2.689 -21.216 13.094
214 3HG2 VAL 31 3HG2 VAL 31 -1.723 -21.715 14.485
215 H ILE 32 H ILE 32 -0.999 -25.853 12.222
216 HA ILE 32 HA ILE 32 -0.981 -27.249 14.610
217 HB ILE 32 HB ILE 32 -0.616 -28.077 11.751
218 1HG1 ILE 32 2HG1 ILE 32 -2.871 -28.451 13.720
219 2HG1 ILE 32 1HG1 ILE 32 -2.809 -27.254 12.431
220 1HG2 ILE 32 3HG2 ILE 32 0.569 -29.742 13.144
221 2HG2 ILE 32 2HG2 ILE 32 -0.903 -29.972 14.090
222 3HG2 ILE 32 1HG2 ILE 32 -0.873 -30.415 12.382
223 1HD1 ILE 32 1HD1 ILE 32 -2.339 -30.016 11.538
224 2HD1 ILE 32 3HD1 ILE 32 -3.951 -29.722 12.194
225 3HD1 ILE 32 2HD1 ILE 32 -3.361 -28.759 10.836
226 H VAL 33 H VAL 33 1.622 -27.010 12.177
227 HA VAL 33 HA VAL 33 3.520 -28.607 13.370
228 HB VAL 33 HB VAL 33 3.925 -26.035 11.852
229 1HG1 VAL 33 3HG1 VAL 33 5.775 -28.179 12.768
230 2HG1 VAL 33 2HG1 VAL 33 6.074 -27.403 11.212
231 3HG1 VAL 33 1HG1 VAL 33 6.022 -26.435 12.687
232 1HG2 VAL 33 2HG2 VAL 33 2.982 -28.654 11.067
233 2HG2 VAL 33 1HG2 VAL 33 3.062 -27.160 10.129
234 3HG2 VAL 33 3HG2 VAL 33 4.466 -28.225 10.215
235 H GLY 34 H GLY 34 2.981 -25.122 13.825
236 1HA GLY 34 2HA GLY 34 4.993 -24.703 15.760
237 2HA GLY 34 1HA GLY 34 3.572 -23.683 15.518
238 H ALA 35 H ALA 35 1.649 -25.764 15.972
239 HA ALA 35 HA ALA 35 1.408 -25.599 18.808
240 1HB ALA 35 1HB ALA 35 -0.142 -26.783 16.571
241 2HB ALA 35 3HB ALA 35 -0.407 -27.477 18.172
242 3HB ALA 35 2HB ALA 35 -0.681 -25.755 17.901
243 H THR 36 H THR 36 2.325 -28.149 16.547
244 HA THR 36 HA THR 36 2.525 -30.264 18.408
245 HB THR 36 HB THR 36 4.135 -29.877 15.884
246 HG1 THR 36 HG1 THR 36 2.115 -29.753 15.158
247 1HG2 THR 36 1HG2 THR 36 3.426 -32.258 17.573
248 2HG2 THR 36 3HG2 THR 36 3.853 -32.431 15.869
249 3HG2 THR 36 2HG2 THR 36 5.014 -31.739 17.003
250 H ILE 37 H ILE 37 5.130 -28.299 16.948
251 HA ILE 37 HA ILE 37 7.127 -29.204 18.736
252 HB ILE 37 HB ILE 37 6.958 -26.807 16.962
253 1HG1 ILE 37 2HG1 ILE 37 6.871 -29.272 16.134
254 2HG1 ILE 37 1HG1 ILE 37 7.887 -28.101 15.331
255 1HG2 ILE 37 2HG2 ILE 37 9.258 -27.877 18.574
256 2HG2 ILE 37 1HG2 ILE 37 9.484 -26.846 17.159
257 3HG2 ILE 37 3HG2 ILE 37 8.601 -26.238 18.562
258 1HD1 ILE 37 1HD1 ILE 37 8.836 -29.979 17.473
259 2HD1 ILE 37 3HD1 ILE 37 9.014 -30.279 15.744
260 3HD1 ILE 37 2HD1 ILE 37 9.834 -28.907 16.493
261 H GLY 38 H GLY 38 4.781 -26.630 18.812
262 1HA GLY 38 2HA GLY 38 5.947 -25.024 20.841
263 2HA GLY 38 1HA GLY 38 4.245 -25.034 20.377
264 H ILE 39 H ILE 39 3.357 -27.483 20.980
265 HA ILE 39 HA ILE 39 2.741 -27.503 23.636
266 HB ILE 39 HB ILE 39 3.024 -29.754 21.662
267 1HG1 ILE 39 2HG1 ILE 39 0.525 -28.723 22.970
268 2HG1 ILE 39 1HG1 ILE 39 1.235 -27.898 21.585
269 1HG2 ILE 39 2HG2 ILE 39 2.124 -29.925 24.545
270 2HG2 ILE 39 1HG2 ILE 39 1.626 -31.098 23.324
271 3HG2 ILE 39 3HG2 ILE 39 3.336 -30.912 23.725
272 1HD1 ILE 39 1HD1 ILE 39 1.198 -30.612 20.882
273 2HD1 ILE 39 3HD1 ILE 39 -0.357 -30.312 21.660
274 3HD1 ILE 39 2HD1 ILE 39 0.135 -29.342 20.270
275 H LYS 40 H LYS 40 5.707 -28.599 22.167
276 HA LYS 40 HA LYS 40 6.702 -29.938 24.522
277 1HB LYS 40 2HB LYS 40 7.343 -29.949 21.835
278 2HB LYS 40 1HB LYS 40 8.687 -29.069 22.559
279 1HG LYS 40 2HG LYS 40 9.189 -30.912 24.032
280 2HG LYS 40 1HG LYS 40 7.685 -31.727 23.606
281 1HD LYS 40 2HD LYS 40 8.803 -32.833 22.021
282 2HD LYS 40 1HD LYS 40 9.015 -31.305 21.171
283 1HE LYS 40 2HE LYS 40 11.002 -31.070 22.953
284 2HE LYS 40 1HE LYS 40 10.929 -32.826 22.858
285 1HZ LYS 40 1HZ LYS 40 11.023 -32.516 20.374
286 2HZ LYS 40 3HZ LYS 40 11.440 -30.900 20.673
287 3HZ LYS 40 2HZ LYS 40 12.446 -32.151 21.227
288 H LEU 41 H LEU 41 7.976 -27.152 22.717
289 HA LEU 41 HA LEU 41 9.605 -26.149 24.748
290 1HB LEU 41 2HB LEU 41 9.455 -23.976 23.463
291 2HB LEU 41 1HB LEU 41 9.955 -25.370 22.500
292 HG LEU 41 HG LEU 41 7.233 -25.425 22.235
293 1HD1 LEU 41 3HD1 LEU 41 7.075 -23.244 23.423
294 2HD1 LEU 41 2HD1 LEU 41 8.032 -22.520 22.129
295 3HD1 LEU 41 1HD1 LEU 41 6.443 -23.202 21.776
296 1HD2 LEU 41 2HD2 LEU 41 8.875 -25.708 20.454
297 2HD2 LEU 41 1HD2 LEU 41 7.628 -24.553 19.981
298 3HD2 LEU 41 3HD2 LEU 41 9.217 -23.977 20.484
299 H PHE 42 H PHE 42 6.272 -25.386 23.976
300 HA PHE 42 HA PHE 42 5.913 -23.276 25.814
301 1HB PHE 42 2HB PHE 42 4.433 -24.356 23.829
302 2HB PHE 42 1HB PHE 42 3.599 -25.003 25.233
303 HD1 PHE 42 HD1 PHE 42 4.530 -21.958 23.409
304 HD2 PHE 42 HD2 PHE 42 2.390 -23.558 26.740
305 HE1 PHE 42 HE1 PHE 42 3.369 -19.804 23.696
306 HE2 PHE 42 HE2 PHE 42 1.229 -21.403 27.027
307 HZ PHE 42 HZ PHE 42 1.719 -19.525 25.506
308 H LYS 43 H LYS 43 6.155 -26.672 26.261
309 HA LYS 43 HA LYS 43 4.682 -26.749 28.743
310 1HB LYS 43 2HB LYS 43 4.505 -28.827 27.862
311 2HB LYS 43 1HB LYS 43 5.986 -28.666 26.932
312 1HG LYS 43 2HG LYS 43 7.303 -29.416 28.641
313 2HG LYS 43 1HG LYS 43 6.147 -28.982 29.895
314 1HD LYS 43 2HD LYS 43 5.936 -31.300 29.819
315 2HD LYS 43 1HD LYS 43 4.627 -30.753 28.772
316 1HE LYS 43 2HE LYS 43 5.607 -32.425 27.484
317 2HE LYS 43 1HE LYS 43 6.402 -30.977 26.872
318 1HZ LYS 43 3HZ LYS 43 7.894 -31.862 29.033
319 2HZ LYS 43 2HZ LYS 43 7.542 -33.241 28.106
320 3HZ LYS 43 1HZ LYS 43 8.320 -31.909 27.392
321 H LYS 44 H LYS 44 8.016 -26.391 27.713
322 HA LYS 44 HA LYS 44 8.973 -26.543 30.475
323 1HB LYS 44 2HB LYS 44 10.297 -26.480 27.787
324 2HB LYS 44 1HB LYS 44 11.211 -26.072 29.236
325 1HG LYS 44 2HG LYS 44 10.079 -28.334 30.123
326 2HG LYS 44 1HG LYS 44 10.079 -28.703 28.397
327 1HD LYS 44 2HD LYS 44 12.155 -29.524 29.004
328 2HD LYS 44 1HD LYS 44 12.588 -27.889 28.487
329 1HE LYS 44 2HE LYS 44 12.349 -29.003 31.294
330 2HE LYS 44 1HE LYS 44 13.723 -28.189 30.557
331 1HZ LYS 44 3HZ LYS 44 11.131 -26.872 31.159
332 2HZ LYS 44 2HZ LYS 44 12.491 -26.821 32.174
333 3HZ LYS 44 1HZ LYS 44 12.558 -26.124 30.627
334 H PHE 45 H PHE 45 8.091 -24.220 28.090
335 HA PHE 45 HA PHE 45 9.614 -22.058 29.299
336 1HB PHE 45 2HB PHE 45 8.626 -22.520 26.768
337 2HB PHE 45 1HB PHE 45 7.523 -21.308 27.407
338 HD1 PHE 45 HD2 PHE 45 11.205 -21.949 27.606
339 HD2 PHE 45 HD1 PHE 45 8.073 -19.167 26.782
340 HE1 PHE 45 HE2 PHE 45 12.879 -20.199 27.147
341 HE2 PHE 45 HE1 PHE 45 9.748 -17.418 26.323
342 HZ PHE 45 HZ PHE 45 12.151 -17.935 26.504
343 H THR 46 H THR 46 6.150 -22.190 28.446
344 HA THR 46 HA THR 46 5.567 -20.846 30.978
345 HB THR 46 HB THR 46 4.326 -20.770 28.259
346 HG1 THR 46 HG1 THR 46 5.036 -18.713 30.076
347 1HG2 THR 46 2HG2 THR 46 2.997 -20.230 30.872
348 2HG2 THR 46 1HG2 THR 46 2.610 -19.212 29.483
349 3HG2 THR 46 3HG2 THR 46 2.343 -20.954 29.403
350 H SER 47 H SER 47 3.327 -22.526 28.840
351 HA SER 47 HA SER 47 3.106 -24.999 30.043
352 1HB SER 47 2HB SER 47 2.167 -22.912 31.779
353 2HB SER 47 1HB SER 47 0.817 -23.940 31.312
354 HG SER 47 HG SER 47 1.727 -25.601 32.339
355 H LYS 48 H LYS 48 1.768 -26.174 28.831
356 HA LYS 48 HA LYS 48 0.659 -25.561 26.526
357 1HB LYS 48 2HB LYS 48 -0.834 -27.374 28.395
358 2HB LYS 48 1HB LYS 48 -0.728 -27.480 26.643
359 1HG LYS 48 2HG LYS 48 0.839 -29.053 27.106
360 2HG LYS 48 1HG LYS 48 1.900 -27.663 27.297
361 1HD LYS 48 2HD LYS 48 2.292 -28.349 29.376
362 2HD LYS 48 1HD LYS 48 0.632 -27.907 29.759
363 1HE LYS 48 2HE LYS 48 1.401 -30.294 30.336
364 2HE LYS 48 1HE LYS 48 -0.140 -30.111 29.505
365 1HZ LYS 48 1HZ LYS 48 2.171 -30.390 27.783
366 2HZ LYS 48 3HZ LYS 48 1.808 -31.757 28.718
367 3HZ LYS 48 2HZ LYS 48 0.637 -31.109 27.673
368 H ALA 49 H ALA 49 -0.839 -24.918 29.628
369 HA ALA 49 HA ALA 49 -3.438 -24.313 28.918
370 1HB ALA 49 1HB ALA 49 -1.748 -23.944 31.143
371 2HB ALA 49 3HB ALA 49 -2.480 -22.374 30.801
372 3HB ALA 49 2HB ALA 49 -3.506 -23.783 31.085
373 H SER 50 H SER 50 -3.818 -23.226 27.053
374 HA SER 50 HA SER 50 -3.994 -21.475 25.583
375 1HB SER 50 2HB SER 50 -3.355 -19.984 28.123
376 2HB SER 50 1HB SER 50 -3.741 -19.176 26.607
377 HG SER 50 HG SER 50 -5.396 -21.087 27.933
No H/Q in entry = 377
Start of MODEL 24
1 1H ALA 1 3H ALA 1 -17.307 9.390 3.448
2 2H ALA 1 2H ALA 1 -16.131 8.884 4.564
3 3H ALA 1 1H ALA 1 -16.845 7.760 3.508
4 HA ALA 1 HA ALA 1 -18.062 7.300 5.333
5 1HB ALA 1 3HB ALA 1 -16.865 9.624 6.303
6 2HB ALA 1 2HB ALA 1 -18.598 9.933 6.427
7 3HB ALA 1 1HB ALA 1 -17.896 8.514 7.208
8 H GLU 2 H GLU 2 -18.812 10.533 4.040
9 HA GLU 2 HA GLU 2 -21.614 10.300 4.153
10 1HB GLU 2 2HB GLU 2 -21.669 12.233 2.741
11 2HB GLU 2 1HB GLU 2 -20.314 12.412 3.850
12 1HG GLU 2 2HG GLU 2 -18.731 11.881 2.160
13 2HG GLU 2 1HG GLU 2 -19.983 11.285 1.070
14 H GLY 3 H GLY 3 -22.427 10.937 1.557
15 1HA GLY 3 2HA GLY 3 -23.289 9.960 -0.298
16 2HA GLY 3 1HA GLY 3 -21.686 9.274 -0.477
17 H ASP 4 H ASP 4 -22.934 7.455 -1.417
18 HA ASP 4 HA ASP 4 -24.810 5.870 -0.371
19 1HB ASP 4 2HB ASP 4 -23.323 3.923 -1.320
20 2HB ASP 4 1HB ASP 4 -24.044 5.135 -2.388
21 H ASP 5 H ASP 5 -21.874 4.070 -0.073
22 HA ASP 5 HA ASP 5 -21.361 4.175 2.636
23 1HB ASP 5 2HB ASP 5 -23.663 3.401 2.910
24 2HB ASP 5 1HB ASP 5 -23.354 2.078 1.790
25 HA PRO 6 HA PRO 6 -18.077 1.879 0.670
26 1HB PRO 6 2HB PRO 6 -16.770 1.151 2.964
27 2HB PRO 6 1HB PRO 6 -16.618 2.741 2.194
28 1HG PRO 6 2HG PRO 6 -18.361 1.915 4.486
29 2HG PRO 6 1HG PRO 6 -17.362 3.373 4.307
30 1HD PRO 6 2HD PRO 6 -20.001 3.487 3.870
31 2HD PRO 6 1HD PRO 6 -18.882 4.387 2.826
32 H ALA 7 H ALA 7 -20.398 0.685 2.901
33 HA ALA 7 HA ALA 7 -19.766 -2.005 3.190
34 1HB ALA 7 3HB ALA 7 -22.415 -0.583 2.853
35 2HB ALA 7 2HB ALA 7 -22.284 -2.300 3.255
36 3HB ALA 7 1HB ALA 7 -21.646 -1.083 4.363
37 H LYS 8 H LYS 8 -21.013 -0.193 0.495
38 HA LYS 8 HA LYS 8 -22.082 -2.089 -1.173
39 1HB LYS 8 2HB LYS 8 -21.688 -0.574 -2.943
40 2HB LYS 8 1HB LYS 8 -21.862 0.429 -1.502
41 1HG LYS 8 2HG LYS 8 -19.959 1.390 -2.266
42 2HG LYS 8 1HG LYS 8 -19.188 0.017 -1.475
43 1HD LYS 8 2HD LYS 8 -19.009 -1.183 -3.529
44 2HD LYS 8 1HD LYS 8 -20.069 -0.052 -4.360
45 1HE LYS 8 2HE LYS 8 -17.401 0.042 -4.578
46 2HE LYS 8 1HE LYS 8 -18.409 1.482 -4.680
47 1HZ LYS 8 3HZ LYS 8 -17.058 0.491 -2.226
48 2HZ LYS 8 2HZ LYS 8 -16.532 1.788 -3.189
49 3HZ LYS 8 1HZ LYS 8 -18.000 1.897 -2.342
50 H ALA 9 H ALA 9 -18.713 -1.535 -0.407
51 HA ALA 9 HA ALA 9 -17.735 -3.328 -2.468
52 1HB ALA 9 1HB ALA 9 -16.584 -1.400 -0.646
53 2HB ALA 9 3HB ALA 9 -15.708 -2.930 -0.570
54 3HB ALA 9 2HB ALA 9 -15.899 -2.098 -2.116
55 H ALA 10 H ALA 10 -17.816 -3.347 1.098
56 HA ALA 10 HA ALA 10 -16.814 -5.876 1.587
57 1HB ALA 10 3HB ALA 10 -18.784 -4.124 2.997
58 2HB ALA 10 2HB ALA 10 -18.559 -5.781 3.562
59 3HB ALA 10 1HB ALA 10 -17.190 -4.668 3.520
60 H PHE 11 H PHE 11 -20.037 -4.922 0.565
61 HA PHE 11 HA PHE 11 -21.361 -7.383 0.914
62 1HB PHE 11 2HB PHE 11 -21.850 -4.897 -0.607
63 2HB PHE 11 1HB PHE 11 -22.605 -6.338 -1.257
64 HD1 PHE 11 HD2 PHE 11 -22.111 -6.367 2.325
65 HD2 PHE 11 HD1 PHE 11 -24.792 -5.097 -0.768
66 HE1 PHE 11 HE2 PHE 11 -23.925 -6.151 3.972
67 HE2 PHE 11 HE1 PHE 11 -26.589 -4.887 0.892
68 HZ PHE 11 HZ PHE 11 -26.162 -5.412 3.258
69 H ASN 12 H ASN 12 -20.176 -6.007 -2.158
70 HA ASN 12 HA ASN 12 -20.391 -8.426 -3.607
71 1HB ASN 12 2HB ASN 12 -20.022 -5.879 -4.341
72 2HB ASN 12 1HB ASN 12 -18.349 -6.432 -4.428
73 1HD2 ASN 12 2HD2 ASN 12 -21.156 -8.181 -6.868
74 2HD2 ASN 12 1HD2 ASN 12 -21.607 -7.539 -5.328
75 H SER 13 H SER 13 -17.797 -6.990 -1.731
76 HA SER 13 HA SER 13 -15.784 -8.860 -2.561
77 1HB SER 13 2HB SER 13 -15.935 -6.928 -0.261
78 2HB SER 13 1HB SER 13 -14.547 -7.953 -0.553
79 HG SER 13 HG SER 13 -15.305 -5.651 -1.803
80 H LEU 14 H LEU 14 -18.296 -8.845 -0.168
81 HA LEU 14 HA LEU 14 -17.336 -10.637 1.721
82 1HB LEU 14 2HB LEU 14 -19.474 -9.491 1.964
83 2HB LEU 14 1HB LEU 14 -20.145 -10.415 0.627
84 HG LEU 14 HG LEU 14 -19.650 -12.482 1.938
85 1HD1 LEU 14 1HD1 LEU 14 -17.971 -11.259 3.439
86 2HD1 LEU 14 3HD1 LEU 14 -19.384 -10.722 4.353
87 3HD1 LEU 14 2HD1 LEU 14 -19.037 -12.445 4.194
88 1HD2 LEU 14 3HD2 LEU 14 -21.595 -10.471 3.053
89 2HD2 LEU 14 2HD2 LEU 14 -21.913 -11.774 1.905
90 3HD2 LEU 14 1HD2 LEU 14 -21.537 -12.152 3.586
91 H GLN 15 H GLN 15 -18.249 -11.158 -1.560
92 HA GLN 15 HA GLN 15 -18.457 -14.042 -1.324
93 1HB GLN 15 2HB GLN 15 -19.604 -12.359 -3.032
94 2HB GLN 15 1HB GLN 15 -18.138 -12.677 -3.951
95 1HG GLN 15 2HG GLN 15 -18.652 -15.168 -3.543
96 2HG GLN 15 1HG GLN 15 -20.262 -14.612 -3.088
97 1HE2 GLN 15 2HD2 GLN 15 -20.784 -13.164 -6.430
98 2HE2 GLN 15 1HD2 GLN 15 -20.782 -12.612 -4.793
99 H ALA 16 H ALA 16 -15.997 -11.694 -1.865
100 HA ALA 16 HA ALA 16 -14.148 -13.583 -3.089
101 1HB ALA 16 3HB ALA 16 -14.059 -10.638 -2.465
102 2HB ALA 16 2HB ALA 16 -12.614 -11.529 -2.956
103 3HB ALA 16 1HB ALA 16 -14.003 -11.432 -4.042
104 H SER 17 H SER 17 -14.568 -11.746 -0.113
105 HA SER 17 HA SER 17 -12.172 -12.362 1.175
106 1HB SER 17 2HB SER 17 -14.757 -11.295 1.910
107 2HB SER 17 1HB SER 17 -14.129 -12.348 3.172
108 HG SER 17 HG SER 17 -12.309 -11.070 3.306
109 H ALA 18 H ALA 18 -14.995 -14.303 0.608
110 HA ALA 18 HA ALA 18 -14.515 -16.287 2.593
111 1HB ALA 18 2HB ALA 18 -16.650 -15.767 1.159
112 2HB ALA 18 1HB ALA 18 -15.921 -16.908 0.027
113 3HB ALA 18 3HB ALA 18 -16.307 -17.421 1.670
114 H THR 19 H THR 19 -13.400 -15.789 -0.689
115 HA THR 19 HA THR 19 -12.445 -18.319 -1.329
116 HB THR 19 HB THR 19 -10.863 -15.893 -2.026
117 HG1 THR 19 HG1 THR 19 -12.438 -15.285 -3.488
118 1HG2 THR 19 1HG2 THR 19 -10.283 -18.174 -2.879
119 2HG2 THR 19 3HG2 THR 19 -11.834 -18.188 -3.723
120 3HG2 THR 19 2HG2 THR 19 -10.613 -16.986 -4.143
121 H GLU 20 H GLU 20 -10.957 -15.777 0.615
122 HA GLU 20 HA GLU 20 -8.426 -16.946 0.930
123 1HB GLU 20 2HB GLU 20 -10.028 -14.836 2.281
124 2HB GLU 20 1HB GLU 20 -8.639 -15.475 3.131
125 1HG GLU 20 2HG GLU 20 -8.212 -13.422 1.711
126 2HG GLU 20 1HG GLU 20 -7.140 -14.783 1.409
127 H TYR 21 H TYR 21 -11.438 -17.947 2.166
128 HA TYR 21 HA TYR 21 -10.317 -19.130 4.585
129 1HB TYR 21 2HB TYR 21 -13.020 -18.618 3.526
130 2HB TYR 21 1HB TYR 21 -12.840 -20.091 4.468
131 HD1 TYR 21 HD2 TYR 21 -12.015 -16.457 4.577
132 HD2 TYR 21 HD1 TYR 21 -12.980 -19.980 6.784
133 HE1 TYR 21 HE2 TYR 21 -12.111 -15.132 6.654
134 HE2 TYR 21 HE1 TYR 21 -13.075 -18.652 8.859
135 HH TYR 21 HH TYR 21 -11.846 -15.551 9.119
136 H ILE 22 H ILE 22 -11.374 -20.096 1.378
137 HA ILE 22 HA ILE 22 -11.405 -22.892 1.881
138 HB ILE 22 HB ILE 22 -11.242 -21.181 -0.601
139 1HG1 ILE 22 2HG1 ILE 22 -13.478 -22.915 0.504
140 2HG1 ILE 22 1HG1 ILE 22 -13.390 -21.140 0.600
141 1HG2 ILE 22 1HG2 ILE 22 -10.740 -24.032 -0.373
142 2HG2 ILE 22 3HG2 ILE 22 -12.055 -23.651 -1.485
143 3HG2 ILE 22 2HG2 ILE 22 -10.464 -22.926 -1.717
144 1HD1 ILE 22 1HD1 ILE 22 -13.369 -22.684 -2.020
145 2HD1 ILE 22 3HD1 ILE 22 -14.845 -22.066 -1.276
146 3HD1 ILE 22 2HD1 ILE 22 -13.586 -20.946 -1.803
147 H GLY 23 H GLY 23 -8.978 -20.561 0.895
148 1HA GLY 23 2HA GLY 23 -6.980 -22.630 0.383
149 2HA GLY 23 1HA GLY 23 -6.765 -20.890 0.184
150 H TYR 24 H TYR 24 -7.814 -22.873 2.947
151 HA TYR 24 HA TYR 24 -5.694 -21.602 4.565
152 1HB TYR 24 2HB TYR 24 -8.521 -22.019 5.014
153 2HB TYR 24 1HB TYR 24 -7.562 -22.756 6.289
154 HD1 TYR 24 HD2 TYR 24 -6.948 -19.675 4.287
155 HD2 TYR 24 HD1 TYR 24 -7.755 -21.348 8.130
156 HE1 TYR 24 HE2 TYR 24 -6.634 -17.461 5.318
157 HE2 TYR 24 HE1 TYR 24 -7.441 -19.132 9.158
158 HH TYR 24 HH TYR 24 -7.394 -16.283 7.424
159 H ALA 25 H ALA 25 -5.361 -23.960 2.899
160 HA ALA 25 HA ALA 25 -5.313 -26.230 4.711
161 1HB ALA 25 1HB ALA 25 -5.787 -26.359 2.200
162 2HB ALA 25 3HB ALA 25 -4.065 -26.063 1.962
163 3HB ALA 25 2HB ALA 25 -4.598 -27.508 2.822
164 H TRP 26 H TRP 26 -2.864 -24.393 2.861
165 HA TRP 26 HA TRP 26 -0.607 -25.550 4.027
166 1HB TRP 26 2HB TRP 26 -1.075 -22.829 2.810
167 2HB TRP 26 1HB TRP 26 0.504 -23.477 3.218
168 HD1 TRP 26 1HD TRP 26 -1.727 -23.181 0.339
169 HE1 TRP 26 1HE TRP 26 -1.107 -24.870 -1.473
170 HE3 TRP 26 3HE TRP 26 1.361 -26.277 3.011
171 HZ2 TRP 26 2HZ TRP 26 0.448 -27.182 -1.779
172 HZ3 TRP 26 3HZ TRP 26 2.382 -28.215 1.890
173 HH2 TRP 26 HH2 TRP 26 1.932 -28.666 -0.485
174 H ALA 27 H ALA 27 -2.685 -22.907 5.032
175 HA ALA 27 HA ALA 27 -0.972 -21.958 7.133
176 1HB ALA 27 1HB ALA 27 -3.938 -21.560 6.679
177 2HB ALA 27 3HB ALA 27 -2.945 -20.663 7.829
178 3HB ALA 27 2HB ALA 27 -2.651 -20.504 6.096
179 H MET 28 H MET 28 -3.685 -24.215 6.898
180 HA MET 28 HA MET 28 -4.082 -24.629 9.646
181 1HB MET 28 2HB MET 28 -5.603 -25.354 7.761
182 2HB MET 28 1HB MET 28 -4.444 -26.625 7.397
183 1HG MET 28 2HG MET 28 -6.498 -27.211 8.831
184 2HG MET 28 1HG MET 28 -4.928 -27.805 9.325
185 1HE MET 28 1HE MET 28 -7.929 -27.150 10.622
186 2HE MET 28 3HE MET 28 -7.852 -26.033 11.993
187 3HE MET 28 2HE MET 28 -7.989 -25.410 10.350
188 H VAL 29 H VAL 29 -1.894 -25.971 7.270
189 HA VAL 29 HA VAL 29 -0.798 -28.069 8.838
190 HB VAL 29 HB VAL 29 0.348 -26.491 6.532
191 1HG1 VAL 29 1HG1 VAL 29 2.110 -27.592 7.849
192 2HG1 VAL 29 3HG1 VAL 29 1.270 -29.133 7.666
193 3HG1 VAL 29 2HG1 VAL 29 1.931 -28.315 6.248
194 1HG2 VAL 29 2HG2 VAL 29 -1.526 -28.748 6.750
195 2HG2 VAL 29 1HG2 VAL 29 -1.308 -27.573 5.451
196 3HG2 VAL 29 3HG2 VAL 29 -0.229 -28.964 5.571
197 H VAL 30 H VAL 30 0.017 -24.679 8.335
198 HA VAL 30 HA VAL 30 2.403 -24.652 9.880
199 HB VAL 30 HB VAL 30 0.465 -22.470 9.142
200 1HG1 VAL 30 3HG1 VAL 30 1.861 -21.957 11.165
201 2HG1 VAL 30 2HG1 VAL 30 3.286 -22.115 10.134
202 3HG1 VAL 30 1HG1 VAL 30 2.089 -20.859 9.803
203 1HG2 VAL 30 2HG2 VAL 30 1.755 -23.753 7.337
204 2HG2 VAL 30 1HG2 VAL 30 1.856 -21.990 7.319
205 3HG2 VAL 30 3HG2 VAL 30 3.188 -22.944 7.974
206 H VAL 31 H VAL 31 -0.992 -23.987 10.569
207 HA VAL 31 HA VAL 31 -0.778 -23.135 13.224
208 HB VAL 31 HB VAL 31 -2.833 -24.002 11.399
209 1HG1 VAL 31 2HG1 VAL 31 -3.151 -24.951 14.242
210 2HG1 VAL 31 1HG1 VAL 31 -4.497 -24.743 13.116
211 3HG1 VAL 31 3HG1 VAL 31 -3.226 -25.921 12.769
212 1HG2 VAL 31 1HG2 VAL 31 -2.708 -22.242 13.833
213 2HG2 VAL 31 3HG2 VAL 31 -2.796 -21.771 12.135
214 3HG2 VAL 31 2HG2 VAL 31 -4.202 -22.490 12.924
215 H ILE 32 H ILE 32 -1.413 -26.387 11.963
216 HA ILE 32 HA ILE 32 -1.371 -27.864 14.287
217 HB ILE 32 HB ILE 32 -0.497 -28.445 11.482
218 1HG1 ILE 32 2HG1 ILE 32 -2.832 -29.419 13.121
219 2HG1 ILE 32 1HG1 ILE 32 -2.884 -28.120 11.934
220 1HG2 ILE 32 2HG2 ILE 32 0.003 -30.086 13.861
221 2HG2 ILE 32 1HG2 ILE 32 -0.860 -30.933 12.575
222 3HG2 ILE 32 3HG2 ILE 32 0.707 -30.190 12.245
223 1HD1 ILE 32 3HD1 ILE 32 -1.896 -30.849 11.168
224 2HD1 ILE 32 2HD1 ILE 32 -3.623 -30.489 11.197
225 3HD1 ILE 32 1HD1 ILE 32 -2.548 -29.576 10.132
226 H VAL 33 H VAL 33 1.384 -26.878 12.266
227 HA VAL 33 HA VAL 33 3.395 -28.135 13.733
228 HB VAL 33 HB VAL 33 3.496 -25.636 12.059
229 1HG1 VAL 33 3HG1 VAL 33 5.467 -26.746 13.709
230 2HG1 VAL 33 2HG1 VAL 33 5.902 -27.203 12.061
231 3HG1 VAL 33 1HG1 VAL 33 5.673 -25.503 12.476
232 1HG2 VAL 33 1HG2 VAL 33 2.907 -28.261 11.315
233 2HG2 VAL 33 3HG2 VAL 33 3.365 -26.932 10.249
234 3HG2 VAL 33 2HG2 VAL 33 4.599 -28.028 10.872
235 H GLY 34 H GLY 34 2.259 -24.762 13.810
236 1HA GLY 34 2HA GLY 34 3.910 -23.820 15.861
237 2HA GLY 34 1HA GLY 34 2.329 -23.154 15.450
238 H ALA 35 H ALA 35 0.602 -25.127 16.061
239 HA ALA 35 HA ALA 35 0.235 -24.919 18.815
240 1HB ALA 35 1HB ALA 35 -1.465 -25.582 17.038
241 2HB ALA 35 3HB ALA 35 -0.800 -27.213 17.154
242 3HB ALA 35 2HB ALA 35 -1.547 -26.462 18.566
243 H THR 36 H THR 36 1.966 -27.309 16.925
244 HA THR 36 HA THR 36 2.361 -29.120 19.140
245 HB THR 36 HB THR 36 3.669 -28.991 16.423
246 HG1 THR 36 HG1 THR 36 1.988 -30.067 15.746
247 1HG2 THR 36 3HG2 THR 36 4.453 -30.440 18.681
248 2HG2 THR 36 2HG2 THR 36 3.576 -31.593 17.673
249 3HG2 THR 36 1HG2 THR 36 4.958 -30.716 17.012
250 H ILE 37 H ILE 37 4.397 -26.853 17.304
251 HA ILE 37 HA ILE 37 6.789 -27.259 18.668
252 HB ILE 37 HB ILE 37 5.673 -24.869 17.271
253 1HG1 ILE 37 2HG1 ILE 37 6.168 -27.164 16.163
254 2HG1 ILE 37 1HG1 ILE 37 6.685 -25.685 15.391
255 1HG2 ILE 37 1HG2 ILE 37 8.156 -25.137 18.801
256 2HG2 ILE 37 3HG2 ILE 37 8.374 -24.549 17.152
257 3HG2 ILE 37 2HG2 ILE 37 7.307 -23.687 18.262
258 1HD1 ILE 37 2HD1 ILE 37 8.615 -26.829 17.272
259 2HD1 ILE 37 1HD1 ILE 37 8.294 -27.820 15.847
260 3HD1 ILE 37 3HD1 ILE 37 8.877 -26.164 15.661
261 H GLY 38 H GLY 38 4.214 -24.883 19.280
262 1HA GLY 38 2HA GLY 38 5.342 -23.519 21.428
263 2HA GLY 38 1HA GLY 38 3.612 -23.731 21.176
264 H ILE 39 H ILE 39 3.119 -26.312 21.568
265 HA ILE 39 HA ILE 39 3.079 -26.653 24.321
266 HB ILE 39 HB ILE 39 2.973 -28.738 22.138
267 1HG1 ILE 39 2HG1 ILE 39 0.710 -27.476 23.686
268 2HG1 ILE 39 1HG1 ILE 39 1.268 -26.879 22.125
269 1HG2 ILE 39 2HG2 ILE 39 2.550 -28.913 25.101
270 2HG2 ILE 39 1HG2 ILE 39 1.579 -29.922 24.028
271 3HG2 ILE 39 3HG2 ILE 39 3.340 -30.060 24.016
272 1HD1 ILE 39 1HD1 ILE 39 0.893 -29.700 21.913
273 2HD1 ILE 39 3HD1 ILE 39 -0.552 -29.005 22.651
274 3HD1 ILE 39 2HD1 ILE 39 0.012 -28.413 21.087
275 H LYS 40 H LYS 40 5.539 -27.539 21.994
276 HA LYS 40 HA LYS 40 7.055 -29.190 23.795
277 1HB LYS 40 2HB LYS 40 7.098 -28.587 21.042
278 2HB LYS 40 1HB LYS 40 8.652 -28.064 21.687
279 1HG LYS 40 2HG LYS 40 8.756 -30.356 22.832
280 2HG LYS 40 1HG LYS 40 7.417 -30.814 21.782
281 1HD LYS 40 2HD LYS 40 9.381 -31.519 20.659
282 2HD LYS 40 1HD LYS 40 8.865 -30.051 19.834
283 1HE LYS 40 2HE LYS 40 10.513 -28.744 21.040
284 2HE LYS 40 1HE LYS 40 10.967 -30.147 22.003
285 1HZ LYS 40 1HZ LYS 40 11.131 -30.665 19.201
286 2HZ LYS 40 3HZ LYS 40 12.106 -29.353 19.654
287 3HZ LYS 40 2HZ LYS 40 12.310 -30.861 20.409
288 H LEU 41 H LEU 41 7.855 -26.068 22.275
289 HA LEU 41 HA LEU 41 9.987 -25.394 23.912
290 1HB LEU 41 2HB LEU 41 9.373 -22.992 23.365
291 2HB LEU 41 1HB LEU 41 9.618 -24.042 21.967
292 HG LEU 41 HG LEU 41 6.960 -24.353 22.398
293 1HD1 LEU 41 3HD1 LEU 41 7.111 -22.618 24.233
294 2HD1 LEU 41 2HD1 LEU 41 7.454 -21.439 22.965
295 3HD1 LEU 41 1HD1 LEU 41 5.916 -22.305 22.974
296 1HD2 LEU 41 2HD2 LEU 41 8.647 -22.739 20.622
297 2HD2 LEU 41 1HD2 LEU 41 7.346 -23.866 20.237
298 3HD2 LEU 41 3HD2 LEU 41 6.964 -22.213 20.718
299 H PHE 42 H PHE 42 6.568 -24.946 24.443
300 HA PHE 42 HA PHE 42 6.983 -23.546 26.960
301 1HB PHE 42 2HB PHE 42 5.000 -23.521 25.050
302 2HB PHE 42 1HB PHE 42 4.282 -24.451 26.352
303 HD1 PHE 42 HD1 PHE 42 5.786 -21.210 25.446
304 HD2 PHE 42 HD2 PHE 42 3.635 -23.413 28.406
305 HE1 PHE 42 HE1 PHE 42 5.303 -19.116 26.652
306 HE2 PHE 42 HE2 PHE 42 3.152 -21.318 29.612
307 HZ PHE 42 HZ PHE 42 3.985 -19.170 28.736
308 H LYS 43 H LYS 43 6.488 -26.774 25.867
309 HA LYS 43 HA LYS 43 5.085 -28.100 27.733
310 1HB LYS 43 2HB LYS 43 6.958 -28.860 25.841
311 2HB LYS 43 1HB LYS 43 7.637 -29.460 27.343
312 1HG LYS 43 2HG LYS 43 4.815 -29.987 26.429
313 2HG LYS 43 1HG LYS 43 6.160 -31.088 26.174
314 1HD LYS 43 2HD LYS 43 6.270 -31.694 28.379
315 2HD LYS 43 1HD LYS 43 5.690 -30.133 28.952
316 1HE LYS 43 2HE LYS 43 3.990 -31.795 29.385
317 2HE LYS 43 1HE LYS 43 3.417 -30.727 28.106
318 1HZ LYS 43 1HZ LYS 43 4.870 -33.077 27.228
319 2HZ LYS 43 3HZ LYS 43 3.369 -33.380 27.956
320 3HZ LYS 43 2HZ LYS 43 3.464 -32.366 26.596
321 H LYS 44 H LYS 44 8.608 -28.157 28.245
322 HA LYS 44 HA LYS 44 8.084 -28.143 31.133
323 1HB LYS 44 2HB LYS 44 10.634 -28.872 29.708
324 2HB LYS 44 1HB LYS 44 10.211 -29.206 31.388
325 1HG LYS 44 2HG LYS 44 8.778 -30.987 30.792
326 2HG LYS 44 1HG LYS 44 8.370 -30.233 29.248
327 1HD LYS 44 2HD LYS 44 9.668 -32.098 28.656
328 2HD LYS 44 1HD LYS 44 10.775 -30.729 28.504
329 1HE LYS 44 2HE LYS 44 11.356 -33.046 29.837
330 2HE LYS 44 1HE LYS 44 12.113 -31.504 30.224
331 1HZ LYS 44 2HZ LYS 44 9.685 -32.605 31.537
332 2HZ LYS 44 1HZ LYS 44 11.256 -32.646 32.181
333 3HZ LYS 44 3HZ LYS 44 10.476 -31.158 31.945
334 H PHE 45 H PHE 45 9.487 -26.205 28.649
335 HA PHE 45 HA PHE 45 11.455 -24.772 29.940
336 1HB PHE 45 2HB PHE 45 10.705 -24.531 27.552
337 2HB PHE 45 1HB PHE 45 9.391 -23.520 28.139
338 HD1 PHE 45 HD1 PHE 45 13.097 -23.834 28.128
339 HD2 PHE 45 HD2 PHE 45 9.729 -21.237 28.489
340 HE1 PHE 45 HE1 PHE 45 14.599 -21.880 28.089
341 HE2 PHE 45 HE2 PHE 45 11.230 -19.283 28.449
342 HZ PHE 45 HZ PHE 45 13.666 -19.605 28.249
343 H THR 46 H THR 46 8.039 -24.711 30.529
344 HA THR 46 HA THR 46 8.170 -22.261 32.092
345 HB THR 46 HB THR 46 5.707 -23.111 32.569
346 HG1 THR 46 HG1 THR 46 4.950 -24.440 30.996
347 1HG2 THR 46 3HG2 THR 46 6.476 -21.072 31.294
348 2HG2 THR 46 2HG2 THR 46 6.430 -22.064 29.835
349 3HG2 THR 46 1HG2 THR 46 4.950 -21.772 30.752
350 H SER 47 H SER 47 6.497 -25.254 32.925
351 HA SER 47 HA SER 47 6.577 -26.607 34.813
352 1HB SER 47 2HB SER 47 9.169 -26.185 34.280
353 2HB SER 47 1HB SER 47 9.066 -25.353 35.827
354 HG SER 47 HG SER 47 8.068 -27.985 35.406
355 H LYS 48 H LYS 48 7.270 -26.189 37.366
356 HA LYS 48 HA LYS 48 6.233 -25.363 39.253
357 1HB LYS 48 2HB LYS 48 7.643 -23.015 38.025
358 2HB LYS 48 1HB LYS 48 6.977 -22.983 39.655
359 1HG LYS 48 2HG LYS 48 9.033 -24.967 38.653
360 2HG LYS 48 1HG LYS 48 9.412 -23.521 39.580
361 1HD LYS 48 2HD LYS 48 8.106 -26.064 40.467
362 2HD LYS 48 1HD LYS 48 9.380 -25.134 41.239
363 1HE LYS 48 2HE LYS 48 7.777 -23.448 41.950
364 2HE LYS 48 1HE LYS 48 6.486 -24.266 41.075
365 1HZ LYS 48 1HZ LYS 48 6.856 -26.207 42.519
366 2HZ LYS 48 3HZ LYS 48 7.991 -25.313 43.408
367 3HZ LYS 48 2HZ LYS 48 6.363 -24.826 43.380
368 H ALA 49 H ALA 49 5.862 -22.258 37.643
369 HA ALA 49 HA ALA 49 3.247 -21.840 38.484
370 1HB ALA 49 1HB ALA 49 5.194 -20.498 36.933
371 2HB ALA 49 3HB ALA 49 3.694 -20.494 36.001
372 3HB ALA 49 2HB ALA 49 3.719 -19.829 37.638
373 H SER 50 H SER 50 1.300 -22.434 37.754
374 HA SER 50 HA SER 50 1.094 -24.468 35.736
375 1HB SER 50 2HB SER 50 -0.701 -23.176 37.695
376 2HB SER 50 1HB SER 50 -1.473 -23.782 36.233
377 HG SER 50 HG SER 50 -0.714 -25.175 38.342
No H/Q in entry = 377
Start of MODEL 25
1 1H ALA 1 3H ALA 1 -31.252 -37.321 31.503
2 2H ALA 1 2H ALA 1 -31.992 -36.719 30.098
3 3H ALA 1 1H ALA 1 -32.901 -36.924 31.518
4 HA ALA 1 HA ALA 1 -32.727 -39.271 31.405
5 1HB ALA 1 1HB ALA 1 -34.348 -37.934 29.857
6 2HB ALA 1 3HB ALA 1 -33.300 -38.516 28.562
7 3HB ALA 1 2HB ALA 1 -34.139 -39.668 29.604
8 H GLU 2 H GLU 2 -31.026 -37.774 28.664
9 HA GLU 2 HA GLU 2 -29.358 -40.206 28.461
10 1HB GLU 2 2HB GLU 2 -28.925 -39.565 26.159
11 2HB GLU 2 1HB GLU 2 -30.664 -39.640 26.439
12 1HG GLU 2 2HG GLU 2 -30.125 -37.030 27.051
13 2HG GLU 2 1HG GLU 2 -28.961 -37.339 25.762
14 H GLY 3 H GLY 3 -27.157 -39.495 27.321
15 1HA GLY 3 2HA GLY 3 -25.455 -38.472 29.105
16 2HA GLY 3 1HA GLY 3 -25.190 -38.303 27.378
17 H ASP 4 H ASP 4 -24.246 -36.434 29.206
18 HA ASP 4 HA ASP 4 -25.902 -34.070 28.568
19 1HB ASP 4 2HB ASP 4 -24.893 -35.022 31.131
20 2HB ASP 4 1HB ASP 4 -24.387 -33.367 30.782
21 H ASP 5 H ASP 5 -24.449 -34.120 26.601
22 HA ASP 5 HA ASP 5 -21.858 -32.893 27.262
23 1HB ASP 5 2HB ASP 5 -22.187 -35.230 25.916
24 2HB ASP 5 1HB ASP 5 -22.153 -34.067 24.590
25 HA PRO 6 HA PRO 6 -24.471 -30.009 24.560
26 1HB PRO 6 2HB PRO 6 -25.064 -28.140 26.431
27 2HB PRO 6 1HB PRO 6 -26.123 -29.517 26.079
28 1HG PRO 6 2HG PRO 6 -24.190 -29.148 28.318
29 2HG PRO 6 1HG PRO 6 -25.806 -29.876 28.336
30 1HD PRO 6 2HD PRO 6 -23.512 -31.326 28.313
31 2HD PRO 6 1HD PRO 6 -25.038 -31.901 27.608
32 H ALA 7 H ALA 7 -21.934 -29.938 26.872
33 HA ALA 7 HA ALA 7 -20.892 -27.341 26.432
34 1HB ALA 7 3HB ALA 7 -20.415 -29.191 28.289
35 2HB ALA 7 2HB ALA 7 -19.104 -29.609 27.182
36 3HB ALA 7 1HB ALA 7 -19.201 -27.982 27.857
37 H LYS 8 H LYS 8 -20.534 -30.423 24.798
38 HA LYS 8 HA LYS 8 -18.226 -29.756 23.274
39 1HB LYS 8 2HB LYS 8 -18.714 -31.719 21.990
40 2HB LYS 8 1HB LYS 8 -19.072 -32.071 23.678
41 1HG LYS 8 2HG LYS 8 -21.065 -32.797 22.941
42 2HG LYS 8 1HG LYS 8 -21.472 -31.096 22.733
43 1HD LYS 8 2HD LYS 8 -20.894 -31.135 20.428
44 2HD LYS 8 1HD LYS 8 -20.093 -32.694 20.580
45 1HE LYS 8 2HE LYS 8 -22.579 -32.412 19.598
46 2HE LYS 8 1HE LYS 8 -22.044 -33.861 20.443
47 1HZ LYS 8 2HZ LYS 8 -23.424 -31.568 21.730
48 2HZ LYS 8 1HZ LYS 8 -24.190 -33.000 21.233
49 3HZ LYS 8 3HZ LYS 8 -23.019 -33.048 22.459
50 H ALA 9 H ALA 9 -21.520 -28.828 23.040
51 HA ALA 9 HA ALA 9 -22.027 -28.492 20.369
52 1HB ALA 9 3HB ALA 9 -23.539 -27.912 22.303
53 2HB ALA 9 2HB ALA 9 -22.650 -26.393 22.445
54 3HB ALA 9 1HB ALA 9 -23.549 -26.755 20.971
55 H ALA 10 H ALA 10 -20.797 -25.805 22.365
56 HA ALA 10 HA ALA 10 -20.112 -23.989 20.477
57 1HB ALA 10 2HB ALA 10 -19.480 -24.400 23.173
58 2HB ALA 10 1HB ALA 10 -17.929 -24.177 22.361
59 3HB ALA 10 3HB ALA 10 -19.184 -22.945 22.221
60 H PHE 11 H PHE 11 -18.322 -26.925 21.224
61 HA PHE 11 HA PHE 11 -16.082 -26.247 19.534
62 1HB PHE 11 2HB PHE 11 -16.628 -28.250 21.460
63 2HB PHE 11 1HB PHE 11 -16.324 -29.075 19.941
64 HD1 PHE 11 HD2 PHE 11 -14.850 -25.840 20.958
65 HD2 PHE 11 HD1 PHE 11 -14.142 -30.045 20.508
66 HE1 PHE 11 HE2 PHE 11 -12.443 -25.485 21.313
67 HE2 PHE 11 HE1 PHE 11 -11.745 -29.669 20.863
68 HZ PHE 11 HZ PHE 11 -10.892 -27.396 21.266
69 H ASN 12 H ASN 12 -18.821 -28.504 19.289
70 HA ASN 12 HA ASN 12 -18.270 -29.417 16.680
71 1HB ASN 12 2HB ASN 12 -20.086 -30.106 18.564
72 2HB ASN 12 1HB ASN 12 -21.113 -29.188 17.460
73 1HD2 ASN 12 2HD2 ASN 12 -20.196 -31.410 14.672
74 2HD2 ASN 12 1HD2 ASN 12 -20.099 -29.724 15.034
75 H SER 13 H SER 13 -19.754 -26.518 17.885
76 HA SER 13 HA SER 13 -21.208 -25.638 15.678
77 1HB SER 13 2HB SER 13 -19.788 -23.452 16.907
78 2HB SER 13 1HB SER 13 -21.500 -23.848 16.987
79 HG SER 13 HG SER 13 -21.178 -24.698 18.897
80 H LEU 14 H LEU 14 -17.781 -25.822 16.200
81 HA LEU 14 HA LEU 14 -16.855 -23.982 14.305
82 1HB LEU 14 2HB LEU 14 -15.387 -25.044 15.933
83 2HB LEU 14 1HB LEU 14 -15.644 -26.609 15.172
84 HG LEU 14 HG LEU 14 -14.714 -25.625 13.070
85 1HD1 LEU 14 2HD1 LEU 14 -15.108 -23.228 13.921
86 2HD1 LEU 14 1HD1 LEU 14 -13.565 -23.429 14.755
87 3HD1 LEU 14 3HD1 LEU 14 -13.642 -23.557 12.997
88 1HD2 LEU 14 1HD2 LEU 14 -12.923 -25.751 15.493
89 2HD2 LEU 14 3HD2 LEU 14 -13.292 -27.055 14.361
90 3HD2 LEU 14 2HD2 LEU 14 -12.332 -25.674 13.833
91 H GLN 15 H GLN 15 -18.355 -27.059 13.932
92 HA GLN 15 HA GLN 15 -17.406 -27.765 11.364
93 1HB GLN 15 2HB GLN 15 -18.612 -29.288 12.926
94 2HB GLN 15 1HB GLN 15 -20.095 -28.404 12.578
95 1HG GLN 15 2HG GLN 15 -19.179 -28.973 10.060
96 2HG GLN 15 1HG GLN 15 -18.671 -30.401 10.962
97 1HE2 GLN 15 2HD2 GLN 15 -22.026 -31.329 11.861
98 2HE2 GLN 15 1HD2 GLN 15 -20.426 -31.233 12.506
99 H ALA 16 H ALA 16 -19.665 -25.394 12.448
100 HA ALA 16 HA ALA 16 -21.057 -25.135 9.930
101 1HB ALA 16 1HB ALA 16 -22.158 -24.632 12.080
102 2HB ALA 16 3HB ALA 16 -21.024 -23.305 12.336
103 3HB ALA 16 2HB ALA 16 -22.167 -23.242 10.993
104 H SER 17 H SER 17 -18.150 -23.907 11.312
105 HA SER 17 HA SER 17 -18.021 -21.765 9.287
106 1HB SER 17 2HB SER 17 -17.733 -20.979 11.566
107 2HB SER 17 1HB SER 17 -16.450 -22.153 11.837
108 HG SER 17 HG SER 17 -15.098 -20.882 10.790
109 H ALA 18 H ALA 18 -16.220 -24.501 10.642
110 HA ALA 18 HA ALA 18 -13.839 -24.316 9.279
111 1HB ALA 18 2HB ALA 18 -14.869 -26.145 10.930
112 2HB ALA 18 1HB ALA 18 -15.069 -27.014 9.407
113 3HB ALA 18 3HB ALA 18 -13.466 -26.475 9.911
114 H THR 19 H THR 19 -16.801 -25.926 8.117
115 HA THR 19 HA THR 19 -16.090 -26.952 5.722
116 HB THR 19 HB THR 19 -18.513 -25.225 5.795
117 HG1 THR 19 HG1 THR 19 -19.502 -26.601 7.196
118 1HG2 THR 19 1HG2 THR 19 -17.985 -26.663 3.833
119 2HG2 THR 19 3HG2 THR 19 -18.096 -28.073 4.890
120 3HG2 THR 19 2HG2 THR 19 -19.519 -27.066 4.610
121 H GLU 20 H GLU 20 -16.339 -23.543 6.455
122 HA GLU 20 HA GLU 20 -16.081 -22.684 3.740
123 1HB GLU 20 2HB GLU 20 -17.372 -21.298 5.084
124 2HB GLU 20 1HB GLU 20 -16.254 -21.395 6.434
125 1HG GLU 20 2HG GLU 20 -14.982 -19.732 5.662
126 2HG GLU 20 1HG GLU 20 -15.124 -20.264 3.998
127 H TYR 21 H TYR 21 -13.964 -22.526 6.635
128 HA TYR 21 HA TYR 21 -11.760 -21.568 5.025
129 1HB TYR 21 2HB TYR 21 -11.850 -22.235 7.957
130 2HB TYR 21 1HB TYR 21 -10.612 -21.309 7.124
131 HD1 TYR 21 HD1 TYR 21 -11.431 -19.177 5.867
132 HD2 TYR 21 HD2 TYR 21 -13.627 -21.143 8.954
133 HE1 TYR 21 HE1 TYR 21 -12.724 -17.115 6.264
134 HE2 TYR 21 HE2 TYR 21 -14.916 -19.081 9.349
135 HH TYR 21 HH TYR 21 -14.620 -16.626 8.990
136 H ILE 22 H ILE 22 -12.861 -24.697 5.864
137 HA ILE 22 HA ILE 22 -10.488 -26.036 6.413
138 HB ILE 22 HB ILE 22 -13.091 -26.794 5.125
139 1HG1 ILE 22 2HG1 ILE 22 -11.657 -27.683 7.656
140 2HG1 ILE 22 1HG1 ILE 22 -13.104 -26.662 7.550
141 1HG2 ILE 22 1HG2 ILE 22 -11.452 -28.079 3.884
142 2HG2 ILE 22 3HG2 ILE 22 -10.755 -28.679 5.388
143 3HG2 ILE 22 2HG2 ILE 22 -12.402 -29.127 4.938
144 1HD1 ILE 22 2HD1 ILE 22 -13.767 -29.017 6.148
145 2HD1 ILE 22 1HD1 ILE 22 -12.871 -29.576 7.559
146 3HD1 ILE 22 3HD1 ILE 22 -14.311 -28.575 7.771
147 H GLY 23 H GLY 23 -11.572 -24.543 3.493
148 1HA GLY 23 2HA GLY 23 -10.094 -25.967 1.570
149 2HA GLY 23 1HA GLY 23 -10.565 -24.270 1.441
150 H TYR 24 H TYR 24 -9.205 -23.462 3.850
151 HA TYR 24 HA TYR 24 -6.464 -23.324 2.820
152 1HB TYR 24 2HB TYR 24 -7.977 -21.732 4.879
153 2HB TYR 24 1HB TYR 24 -6.278 -21.496 4.523
154 HD1 TYR 24 HD2 TYR 24 -9.693 -21.284 3.144
155 HD2 TYR 24 HD1 TYR 24 -5.580 -20.291 2.589
156 HE1 TYR 24 HE2 TYR 24 -10.305 -19.776 1.296
157 HE2 TYR 24 HE1 TYR 24 -6.195 -18.784 0.742
158 HH TYR 24 HH TYR 24 -8.554 -17.437 0.170
159 H ALA 25 H ALA 25 -7.292 -25.764 3.982
160 HA ALA 25 HA ALA 25 -6.506 -25.925 6.733
161 1HB ALA 25 1HB ALA 25 -8.074 -27.537 5.687
162 2HB ALA 25 3HB ALA 25 -6.760 -28.131 4.670
163 3HB ALA 25 2HB ALA 25 -6.686 -28.348 6.419
164 H TRP 26 H TRP 26 -4.948 -26.940 3.685
165 HA TRP 26 HA TRP 26 -2.613 -28.023 4.637
166 1HB TRP 26 2HB TRP 26 -3.518 -26.794 2.159
167 2HB TRP 26 1HB TRP 26 -1.805 -26.530 2.447
168 HD1 TRP 26 1HD TRP 26 -3.757 -28.802 0.559
169 HE1 TRP 26 1HE TRP 26 -2.703 -31.124 0.405
170 HE3 TRP 26 3HE TRP 26 -0.382 -28.514 4.402
171 HZ2 TRP 26 2HZ TRP 26 -0.741 -32.654 1.693
172 HZ3 TRP 26 3HZ TRP 26 1.055 -30.454 4.887
173 HH2 TRP 26 HH2 TRP 26 0.879 -32.508 3.546
174 H ALA 27 H ALA 27 -3.468 -24.623 4.312
175 HA ALA 27 HA ALA 27 -0.850 -23.676 5.106
176 1HB ALA 27 3HB ALA 27 -3.243 -22.552 3.990
177 2HB ALA 27 2HB ALA 27 -2.788 -21.642 5.433
178 3HB ALA 27 1HB ALA 27 -1.635 -21.835 4.111
179 H MET 28 H MET 28 -4.006 -24.213 6.604
180 HA MET 28 HA MET 28 -3.452 -22.974 9.080
181 1HB MET 28 2HB MET 28 -5.727 -23.643 8.250
182 2HB MET 28 1HB MET 28 -5.278 -25.325 8.508
183 1HG MET 28 2HG MET 28 -6.663 -24.205 10.325
184 2HG MET 28 1HG MET 28 -5.237 -25.089 10.831
185 1HE MET 28 3HE MET 28 -5.822 -21.709 9.161
186 2HE MET 28 2HE MET 28 -6.846 -21.356 10.551
187 3HE MET 28 1HE MET 28 -5.314 -20.507 10.356
188 H VAL 29 H VAL 29 -2.904 -26.164 7.737
189 HA VAL 29 HA VAL 29 -2.064 -27.510 10.076
190 HB VAL 29 HB VAL 29 -1.334 -27.914 7.175
191 1HG1 VAL 29 2HG1 VAL 29 -0.584 -29.405 9.635
192 2HG1 VAL 29 1HG1 VAL 29 -0.976 -30.339 8.190
193 3HG1 VAL 29 3HG1 VAL 29 0.324 -29.148 8.144
194 1HG2 VAL 29 1HG2 VAL 29 -3.749 -28.309 8.527
195 2HG2 VAL 29 3HG2 VAL 29 -3.308 -28.916 6.929
196 3HG2 VAL 29 2HG2 VAL 29 -3.038 -29.916 8.359
197 H VAL 30 H VAL 30 -0.388 -25.603 7.640
198 HA VAL 30 HA VAL 30 2.246 -25.953 8.598
199 HB VAL 30 HB VAL 30 0.916 -23.785 6.996
200 1HG1 VAL 30 2HG1 VAL 30 3.435 -23.637 8.297
201 2HG1 VAL 30 1HG1 VAL 30 3.720 -23.791 6.563
202 3HG1 VAL 30 3HG1 VAL 30 2.703 -22.486 7.176
203 1HG2 VAL 30 2HG2 VAL 30 1.676 -26.375 6.349
204 2HG2 VAL 30 1HG2 VAL 30 1.283 -25.078 5.217
205 3HG2 VAL 30 3HG2 VAL 30 2.961 -25.359 5.688
206 H VAL 31 H VAL 31 -0.339 -23.704 9.353
207 HA VAL 31 HA VAL 31 1.108 -21.960 11.042
208 HB VAL 31 HB VAL 31 -1.557 -22.301 10.135
209 1HG1 VAL 31 3HG1 VAL 31 -1.395 -22.000 13.127
210 2HG1 VAL 31 2HG1 VAL 31 -2.834 -21.668 12.160
211 3HG1 VAL 31 1HG1 VAL 31 -2.175 -23.307 12.236
212 1HG2 VAL 31 2HG2 VAL 31 0.159 -20.270 10.472
213 2HG2 VAL 31 1HG2 VAL 31 -1.574 -20.039 10.233
214 3HG2 VAL 31 3HG2 VAL 31 -0.893 -19.994 11.861
215 H ILE 32 H ILE 32 -0.913 -24.781 11.720
216 HA ILE 32 HA ILE 32 -0.677 -24.954 14.463
217 HB ILE 32 HB ILE 32 -0.898 -27.031 12.309
218 1HG1 ILE 32 2HG1 ILE 32 -2.852 -25.953 14.336
219 2HG1 ILE 32 1HG1 ILE 32 -2.813 -25.576 12.617
220 1HG2 ILE 32 1HG2 ILE 32 -0.233 -27.481 15.094
221 2HG2 ILE 32 3HG2 ILE 32 -1.774 -28.229 14.670
222 3HG2 ILE 32 2HG2 ILE 32 -0.317 -28.634 13.760
223 1HD1 ILE 32 1HD1 ILE 32 -2.900 -28.449 13.147
224 2HD1 ILE 32 3HD1 ILE 32 -4.300 -27.585 13.783
225 3HD1 ILE 32 2HD1 ILE 32 -3.898 -27.471 12.068
226 H VAL 33 H VAL 33 1.564 -26.125 11.965
227 HA VAL 33 HA VAL 33 3.358 -27.537 13.487
228 HB VAL 33 HB VAL 33 3.947 -25.701 11.175
229 1HG1 VAL 33 3HG1 VAL 33 5.564 -27.644 12.696
230 2HG1 VAL 33 2HG1 VAL 33 5.711 -27.711 10.939
231 3HG1 VAL 33 1HG1 VAL 33 6.061 -26.210 11.798
232 1HG2 VAL 33 3HG2 VAL 33 2.660 -28.338 11.386
233 2HG2 VAL 33 2HG2 VAL 33 2.551 -27.120 10.114
234 3HG2 VAL 33 1HG2 VAL 33 3.928 -28.222 10.165
235 H GLY 34 H GLY 34 2.854 -24.102 13.313
236 1HA GLY 34 2HA GLY 34 5.341 -23.376 14.587
237 2HA GLY 34 1HA GLY 34 3.980 -22.305 14.248
238 H ALA 35 H ALA 35 1.950 -23.699 15.565
239 HA ALA 35 HA ALA 35 2.384 -22.853 18.267
240 1HB ALA 35 3HB ALA 35 0.186 -22.686 17.153
241 2HB ALA 35 2HB ALA 35 0.098 -24.448 17.093
242 3HB ALA 35 1HB ALA 35 0.098 -23.616 18.650
243 H THR 36 H THR 36 2.392 -25.923 16.572
244 HA THR 36 HA THR 36 2.252 -27.692 18.735
245 HB THR 36 HB THR 36 3.792 -27.962 16.154
246 HG1 THR 36 HG1 THR 36 1.889 -28.204 15.319
247 1HG2 THR 36 3HG2 THR 36 3.819 -29.630 18.411
248 2HG2 THR 36 2HG2 THR 36 2.759 -30.420 17.241
249 3HG2 THR 36 1HG2 THR 36 4.415 -30.007 16.793
250 H ILE 37 H ILE 37 4.944 -25.860 17.416
251 HA ILE 37 HA ILE 37 7.061 -27.109 18.740
252 HB ILE 37 HB ILE 37 6.664 -24.300 17.808
253 1HG1 ILE 37 2HG1 ILE 37 6.675 -26.408 16.288
254 2HG1 ILE 37 1HG1 ILE 37 7.578 -24.985 15.830
255 1HG2 ILE 37 1HG2 ILE 37 9.010 -25.567 19.133
256 2HG2 ILE 37 3HG2 ILE 37 9.289 -24.416 17.825
257 3HG2 ILE 37 2HG2 ILE 37 8.398 -23.917 19.264
258 1HD1 ILE 37 3HD1 ILE 37 8.863 -27.170 17.408
259 2HD1 ILE 37 2HD1 ILE 37 8.731 -27.285 15.651
260 3HD1 ILE 37 1HD1 ILE 37 9.627 -25.953 16.388
261 H GLY 38 H GLY 38 4.884 -24.519 19.771
262 1HA GLY 38 2HA GLY 38 6.214 -23.921 22.220
263 2HA GLY 38 1HA GLY 38 4.560 -23.479 21.801
264 H ILE 39 H ILE 39 3.264 -25.812 21.512
265 HA ILE 39 HA ILE 39 2.593 -26.648 24.048
266 HB ILE 39 HB ILE 39 2.514 -28.264 21.499
267 1HG1 ILE 39 2HG1 ILE 39 0.474 -26.462 22.815
268 2HG1 ILE 39 1HG1 ILE 39 1.309 -26.171 21.293
269 1HG2 ILE 39 3HG2 ILE 39 1.050 -28.649 24.122
270 2HG2 ILE 39 2HG2 ILE 39 0.689 -29.523 22.632
271 3HG2 ILE 39 1HG2 ILE 39 2.256 -29.732 23.422
272 1HD1 ILE 39 3HD1 ILE 39 0.267 -28.401 20.522
273 2HD1 ILE 39 2HD1 ILE 39 -0.804 -28.223 21.913
274 3HD1 ILE 39 1HD1 ILE 39 -0.796 -26.999 20.641
275 H LYS 40 H LYS 40 5.283 -27.627 22.082
276 HA LYS 40 HA LYS 40 5.969 -29.941 23.662
277 1HB LYS 40 2HB LYS 40 6.620 -29.049 21.140
278 2HB LYS 40 1HB LYS 40 8.102 -28.752 22.048
279 1HG LYS 40 2HG LYS 40 8.310 -31.054 22.639
280 2HG LYS 40 1HG LYS 40 6.640 -31.393 22.191
281 1HD LYS 40 2HD LYS 40 7.629 -32.207 20.312
282 2HD LYS 40 1HD LYS 40 7.542 -30.518 19.821
283 1HE LYS 40 2HE LYS 40 9.813 -30.140 20.319
284 2HE LYS 40 1HE LYS 40 9.932 -31.603 21.293
285 1HZ LYS 40 3HZ LYS 40 9.310 -32.715 19.025
286 2HZ LYS 40 2HZ LYS 40 9.970 -31.288 18.381
287 3HZ LYS 40 1HZ LYS 40 10.913 -32.292 19.376
288 H LEU 41 H LEU 41 7.881 -27.015 22.975
289 HA LEU 41 HA LEU 41 9.674 -27.183 25.046
290 1HB LEU 41 2HB LEU 41 9.765 -24.653 24.936
291 2HB LEU 41 1HB LEU 41 10.000 -25.474 23.391
292 HG LEU 41 HG LEU 41 7.366 -25.147 23.269
293 1HD1 LEU 41 1HD1 LEU 41 7.760 -23.890 25.630
294 2HD1 LEU 41 3HD1 LEU 41 7.916 -22.533 24.513
295 3HD1 LEU 41 2HD1 LEU 41 6.445 -23.507 24.519
296 1HD2 LEU 41 1HD2 LEU 41 9.671 -23.765 22.277
297 2HD2 LEU 41 3HD2 LEU 41 8.111 -24.027 21.495
298 3HD2 LEU 41 2HD2 LEU 41 8.355 -22.615 22.525
299 H PHE 42 H PHE 42 6.430 -25.895 25.144
300 HA PHE 42 HA PHE 42 6.340 -24.662 27.604
301 1HB PHE 42 2HB PHE 42 4.497 -25.088 25.793
302 2HB PHE 42 1HB PHE 42 4.090 -26.456 26.815
303 HD1 PHE 42 HD1 PHE 42 3.711 -25.970 29.318
304 HD2 PHE 42 HD2 PHE 42 3.658 -22.955 26.291
305 HE1 PHE 42 HE1 PHE 42 2.441 -24.484 30.818
306 HE2 PHE 42 HE2 PHE 42 2.389 -21.472 27.794
307 HZ PHE 42 HZ PHE 42 1.780 -22.236 30.056
308 H LYS 43 H LYS 43 6.517 -28.085 26.926
309 HA LYS 43 HA LYS 43 5.687 -29.028 29.466
310 1HB LYS 43 2HB LYS 43 5.678 -30.853 28.153
311 2HB LYS 43 1HB LYS 43 6.831 -30.156 27.033
312 1HG LYS 43 2HG LYS 43 8.643 -30.976 28.178
313 2HG LYS 43 1HG LYS 43 7.757 -31.171 29.686
314 1HD LYS 43 2HD LYS 43 7.904 -33.364 28.953
315 2HD LYS 43 1HD LYS 43 6.332 -32.865 28.332
316 1HE LYS 43 2HE LYS 43 7.329 -33.926 26.494
317 2HE LYS 43 1HE LYS 43 7.617 -32.215 26.188
318 1HZ LYS 43 1HZ LYS 43 9.811 -32.668 27.442
319 2HZ LYS 43 3HZ LYS 43 9.508 -34.292 27.058
320 3HZ LYS 43 2HZ LYS 43 9.666 -33.143 25.816
321 H LYS 44 H LYS 44 8.609 -27.583 28.329
322 HA LYS 44 HA LYS 44 10.139 -28.472 30.654
323 1HB LYS 44 2HB LYS 44 10.744 -27.316 28.028
324 2HB LYS 44 1HB LYS 44 11.716 -26.656 29.344
325 1HG LYS 44 2HG LYS 44 11.354 -29.640 29.093
326 2HG LYS 44 1HG LYS 44 12.557 -28.803 28.104
327 1HD LYS 44 2HD LYS 44 13.839 -29.343 29.940
328 2HD LYS 44 1HD LYS 44 13.290 -27.730 30.416
329 1HE LYS 44 2HE LYS 44 13.104 -29.581 32.192
330 2HE LYS 44 1HE LYS 44 11.625 -28.666 31.891
331 1HZ LYS 44 3HZ LYS 44 12.094 -31.098 30.332
332 2HZ LYS 44 2HZ LYS 44 11.641 -31.268 31.962
333 3HZ LYS 44 1HZ LYS 44 10.637 -30.425 30.881
334 H PHE 45 H PHE 45 8.310 -25.760 29.545
335 HA PHE 45 HA PHE 45 9.206 -24.185 31.882
336 1HB PHE 45 2HB PHE 45 9.778 -23.120 29.751
337 2HB PHE 45 1HB PHE 45 8.095 -23.207 29.249
338 HD1 PHE 45 HD2 PHE 45 10.158 -21.929 32.096
339 HD2 PHE 45 HD1 PHE 45 6.788 -21.331 29.543
340 HE1 PHE 45 HE2 PHE 45 9.734 -19.749 33.164
341 HE2 PHE 45 HE1 PHE 45 6.366 -19.151 30.612
342 HZ PHE 45 HZ PHE 45 7.839 -18.359 32.422
343 H THR 46 H THR 46 7.420 -25.962 32.565
344 HA THR 46 HA THR 46 4.718 -24.944 32.223
345 HB THR 46 HB THR 46 4.532 -26.978 34.028
346 HG1 THR 46 HG1 THR 46 6.525 -27.755 34.031
347 1HG2 THR 46 2HG2 THR 46 4.569 -27.068 31.013
348 2HG2 THR 46 1HG2 THR 46 4.031 -28.414 32.020
349 3HG2 THR 46 3HG2 THR 46 3.169 -26.876 32.070
350 H SER 47 H SER 47 6.269 -26.183 35.159
351 HA SER 47 HA SER 47 6.095 -23.666 36.547
352 1HB SER 47 2HB SER 47 3.716 -24.733 36.469
353 2HB SER 47 1HB SER 47 4.361 -25.830 37.683
354 HG SER 47 HG SER 47 3.952 -24.257 39.042
355 H LYS 48 H LYS 48 6.227 -27.188 36.940
356 HA LYS 48 HA LYS 48 7.338 -27.658 39.276
357 1HB LYS 48 2HB LYS 48 8.568 -28.840 36.802
358 2HB LYS 48 1HB LYS 48 8.449 -29.571 38.396
359 1HG LYS 48 2HG LYS 48 6.263 -29.113 36.375
360 2HG LYS 48 1HG LYS 48 6.770 -30.622 37.120
361 1HD LYS 48 2HD LYS 48 5.259 -28.352 38.418
362 2HD LYS 48 1HD LYS 48 4.687 -29.987 38.110
363 1HE LYS 48 2HE LYS 48 7.076 -29.483 39.869
364 2HE LYS 48 1HE LYS 48 5.438 -29.399 40.507
365 1HZ LYS 48 1HZ LYS 48 6.258 -31.749 38.950
366 2HZ LYS 48 3HZ LYS 48 6.756 -31.615 40.565
367 3HZ LYS 48 2HZ LYS 48 5.099 -31.623 40.185
368 H ALA 49 H ALA 49 8.966 -26.913 40.453
369 HA ALA 49 HA ALA 49 10.868 -25.062 39.537
370 1HB ALA 49 3HB ALA 49 10.085 -26.261 41.989
371 2HB ALA 49 2HB ALA 49 11.841 -26.408 41.853
372 3HB ALA 49 1HB ALA 49 11.077 -24.820 41.746
373 H SER 50 H SER 50 13.249 -25.364 39.660
374 HA SER 50 HA SER 50 14.008 -27.871 38.322
375 1HB SER 50 2HB SER 50 15.114 -25.090 38.334
376 2HB SER 50 1HB SER 50 16.159 -26.443 37.916
377 HG SER 50 HG SER 50 15.270 -25.982 35.997
No H/Q in entry = 377
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