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 |
|
|
7434 |
1kj0   |
5274 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLU 1 1HT GLU 1 2.878 -11.938 7.307
2 2H GLU 1 2HT GLU 1 2.807 -13.577 7.747
3 3H GLU 1 3HT GLU 1 3.674 -12.473 8.705
4 HA GLU 1 HA GLU 1 0.726 -12.421 8.290
5 1HB GLU 1 2HB GLU 1 2.296 -14.189 9.731
6 2HB GLU 1 1HB GLU 1 1.873 -12.974 10.937
7 1HG GLU 1 2HG GLU 1 -0.538 -13.269 9.789
8 2HG GLU 1 1HG GLU 1 0.115 -14.875 9.465
9 H GLN 2 H GLN 2 1.769 -10.057 7.763
10 HA GLN 2 HA GLN 2 2.338 -8.539 10.231
11 1HB GLN 2 2HB GLN 2 3.619 -8.153 8.174
12 2HB GLN 2 1HB GLN 2 2.130 -7.783 7.304
13 1HG GLN 2 2HG GLN 2 3.388 -5.740 8.050
14 2HG GLN 2 1HG GLN 2 1.741 -5.824 8.680
15 1HE2 GLN 2 1HE2 GLN 2 1.656 -5.298 10.859
16 2HE2 GLN 2 2HE2 GLN 2 2.874 -5.624 11.995
17 H GLU 3 H GLU 3 -0.170 -8.849 7.785
18 HA GLU 3 HA GLU 3 -2.321 -8.084 9.502
19 1HB GLU 3 2HB GLU 3 -2.683 -5.793 8.785
20 2HB GLU 3 1HB GLU 3 -1.015 -5.914 9.336
21 1HG GLU 3 2HG GLU 3 -0.200 -6.071 7.067
22 2HG GLU 3 1HG GLU 3 -1.843 -6.199 6.437
23 H CYS 4 H CYS 4 -0.967 -8.332 6.271
24 HA CYS 4 HA CYS 4 -3.423 -9.624 5.302
25 1HB CYS 4 2HB CYS 4 -3.705 -7.064 5.286
26 2HB CYS 4 1HB CYS 4 -2.521 -7.058 3.980
27 H THR 5 H THR 5 -3.080 -9.942 2.733
28 HA THR 5 HA THR 5 -0.310 -10.072 1.834
29 HB THR 5 HB THR 5 -1.414 -12.790 2.009
30 HG1 THR 5 1HG THR 5 -1.262 -12.969 4.182
31 1HG2 THR 5 1HG2 THR 5 1.115 -11.401 1.976
32 2HG2 THR 5 2HG2 THR 5 0.783 -13.107 1.679
33 3HG2 THR 5 3HG2 THR 5 1.064 -12.536 3.323
34 HA PRO 6 HA PRO 6 -3.102 -12.346 -1.404
35 1HB PRO 6 2HB PRO 6 -5.817 -12.225 -0.933
36 2HB PRO 6 1HB PRO 6 -4.784 -13.593 -0.463
37 1HG PRO 6 2HG PRO 6 -5.679 -11.259 1.186
38 2HG PRO 6 1HG PRO 6 -5.687 -12.986 1.592
39 1HD PRO 6 2HD PRO 6 -3.760 -11.436 2.517
40 2HD PRO 6 1HD PRO 6 -3.367 -13.054 1.904
41 H GLY 7 H GLY 7 -5.935 -10.384 -0.760
42 1HA GLY 7 2HA GLY 7 -4.878 -7.922 -1.850
43 2HA GLY 7 1HA GLY 7 -5.714 -8.861 -3.088
44 H GLN 8 H GLN 8 -6.606 -8.705 0.348
45 HA GLN 8 HA GLN 8 -9.376 -8.340 -0.104
46 1HB GLN 8 2HB GLN 8 -7.485 -7.623 2.151
47 2HB GLN 8 1HB GLN 8 -9.231 -7.388 2.291
48 1HG GLN 8 2HG GLN 8 -8.861 -9.994 1.251
49 2HG GLN 8 1HG GLN 8 -7.712 -9.823 2.579
50 1HE2 GLN 8 1HE2 GLN 8 -10.924 -10.616 1.905
51 2HE2 GLN 8 2HE2 GLN 8 -11.582 -10.351 3.449
52 H THR 9 H THR 9 -10.671 -6.348 0.151
53 HA THR 9 HA THR 9 -9.237 -3.951 -0.903
54 HB THR 9 HB THR 9 -11.682 -3.300 -1.402
55 HG1 THR 9 1HG THR 9 -12.533 -4.848 0.099
56 1HG2 THR 9 1HG2 THR 9 -11.349 -5.782 -2.885
57 2HG2 THR 9 2HG2 THR 9 -9.830 -4.897 -2.753
58 3HG2 THR 9 3HG2 THR 9 -11.245 -4.116 -3.456
59 H LYS 10 H LYS 10 -9.124 -2.097 0.331
60 HA LYS 10 HA LYS 10 -10.299 -2.189 3.067
61 1HB LYS 10 2HB LYS 10 -7.842 -1.436 1.922
62 2HB LYS 10 1HB LYS 10 -8.602 0.078 2.417
63 1HG LYS 10 2HG LYS 10 -8.684 -0.543 4.669
64 2HG LYS 10 1HG LYS 10 -8.585 -2.266 4.299
65 1HD LYS 10 2HD LYS 10 -6.234 -1.342 3.233
66 2HD LYS 10 1HD LYS 10 -6.421 -0.292 4.638
67 1HE LYS 10 2HE LYS 10 -6.603 -3.326 4.727
68 2HE LYS 10 1HE LYS 10 -5.181 -2.381 5.211
69 1HZ LYS 10 1HZ LYS 10 -6.892 -1.060 6.592
70 2HZ LYS 10 2HZ LYS 10 -6.348 -2.556 7.183
71 3HZ LYS 10 3HZ LYS 10 -7.865 -2.440 6.430
72 H LYS 11 H LYS 11 -12.376 -1.332 3.041
73 HA LYS 11 HA LYS 11 -13.265 0.701 1.188
74 1HB LYS 11 2HB LYS 11 -14.322 -0.330 3.841
75 2HB LYS 11 1HB LYS 11 -15.235 0.717 2.755
76 1HG LYS 11 2HG LYS 11 -14.051 -1.891 1.802
77 2HG LYS 11 1HG LYS 11 -15.645 -1.819 2.554
78 1HD LYS 11 2HD LYS 11 -15.743 0.251 0.723
79 2HD LYS 11 1HD LYS 11 -14.813 -0.981 -0.129
80 1HE LYS 11 2HE LYS 11 -16.800 -2.518 0.953
81 2HE LYS 11 1HE LYS 11 -17.666 -0.998 0.652
82 1HZ LYS 11 1HZ LYS 11 -16.346 -2.784 -1.246
83 2HZ LYS 11 2HZ LYS 11 -16.230 -1.117 -1.548
84 3HZ LYS 11 3HZ LYS 11 -17.755 -1.859 -1.435
85 H GLN 12 H GLN 12 -12.435 2.771 1.283
86 HA GLN 12 HA GLN 12 -12.220 4.047 3.984
87 1HB GLN 12 2HB GLN 12 -10.078 3.219 2.650
88 2HB GLN 12 1HB GLN 12 -10.330 4.720 1.759
89 1HG GLN 12 2HG GLN 12 -8.903 5.367 3.518
90 2HG GLN 12 1HG GLN 12 -10.504 5.828 4.100
91 1HE2 GLN 12 1HE2 GLN 12 -9.555 5.588 6.336
92 2HE2 GLN 12 2HE2 GLN 12 -9.439 4.038 7.015
93 H ASP 13 H ASP 13 -13.991 4.110 1.325
94 HA ASP 13 HA ASP 13 -15.287 5.767 0.276
95 1HB ASP 13 2HB ASP 13 -14.576 6.662 2.963
96 2HB ASP 13 1HB ASP 13 -14.894 8.016 1.871
97 H CYS 14 H CYS 14 -14.711 6.845 -1.557
98 HA CYS 14 HA CYS 14 -13.639 8.399 -2.960
99 1HB CYS 14 2HB CYS 14 -11.830 8.982 -0.612
100 2HB CYS 14 1HB CYS 14 -12.177 10.013 -1.991
101 H ASN 15 H ASN 15 -11.739 6.141 -1.025
102 HA ASN 15 HA ASN 15 -10.180 5.552 -3.456
103 1HB ASN 15 2HB ASN 15 -8.087 6.081 -2.420
104 2HB ASN 15 1HB ASN 15 -9.154 7.460 -2.142
105 1HD2 ASN 15 1HD2 ASN 15 -8.727 8.222 -0.073
106 2HD2 ASN 15 2HD2 ASN 15 -8.569 7.245 1.316
107 H THR 16 H THR 16 -8.410 3.787 -2.667
108 HA THR 16 HA THR 16 -9.594 1.962 -0.637
109 HB THR 16 HB THR 16 -8.994 1.215 -3.516
110 HG1 THR 16 1HG THR 16 -11.004 1.648 -3.908
111 1HG2 THR 16 1HG2 THR 16 -9.008 -0.398 -1.301
112 2HG2 THR 16 2HG2 THR 16 -9.380 -0.944 -2.937
113 3HG2 THR 16 3HG2 THR 16 -10.686 -0.509 -1.834
114 H CYS 17 H CYS 17 -7.985 0.809 0.425
115 HA CYS 17 HA CYS 17 -5.195 1.471 -0.186
116 1HB CYS 17 2HB CYS 17 -6.820 0.458 1.996
117 2HB CYS 17 1HB CYS 17 -5.353 -0.502 1.811
118 H ASN 18 H ASN 18 -7.330 -1.341 -0.493
119 HA ASN 18 HA ASN 18 -7.005 -3.400 -1.602
120 1HB ASN 18 2HB ASN 18 -4.861 -1.661 -2.867
121 2HB ASN 18 1HB ASN 18 -5.325 -3.248 -3.479
122 1HD2 ASN 18 1HD2 ASN 18 -6.397 0.103 -3.124
123 2HD2 ASN 18 2HD2 ASN 18 -7.764 -0.043 -4.120
124 H CYS 19 H CYS 19 -5.834 -5.307 -1.174
125 HA CYS 19 HA CYS 19 -3.550 -5.015 0.715
126 1HB CYS 19 2HB CYS 19 -5.531 -6.353 1.304
127 2HB CYS 19 1HB CYS 19 -5.309 -7.328 -0.144
128 H THR 20 H THR 20 -1.669 -6.557 0.393
129 HA THR 20 HA THR 20 -1.318 -7.460 -2.435
130 HB THR 20 HB THR 20 1.098 -6.272 -1.859
131 HG1 THR 20 1HG THR 20 0.799 -4.645 -0.572
132 1HG2 THR 20 1HG2 THR 20 -1.342 -5.502 -3.387
133 2HG2 THR 20 2HG2 THR 20 0.297 -5.805 -3.964
134 3HG2 THR 20 3HG2 THR 20 -0.092 -4.273 -3.182
135 HA PRO 21 HA PRO 21 1.019 -10.749 -0.704
136 1HB PRO 21 2HB PRO 21 3.321 -10.821 -2.198
137 2HB PRO 21 1HB PRO 21 1.744 -11.349 -2.823
138 1HG PRO 21 2HG PRO 21 3.157 -8.748 -3.213
139 2HG PRO 21 1HG PRO 21 2.273 -9.734 -4.390
140 1HD PRO 21 2HD PRO 21 1.183 -7.545 -3.258
141 2HD PRO 21 1HD PRO 21 0.211 -8.972 -3.684
142 H THR 22 H THR 22 1.227 -8.644 0.947
143 HA THR 22 HA THR 22 3.644 -8.972 2.390
144 HB THR 22 HB THR 22 4.742 -7.936 0.502
145 HG1 THR 22 1HG THR 22 5.701 -6.966 2.109
146 1HG2 THR 22 1HG2 THR 22 2.925 -5.544 0.705
147 2HG2 THR 22 2HG2 THR 22 2.474 -6.930 -0.288
148 3HG2 THR 22 3HG2 THR 22 3.954 -6.039 -0.639
149 H GLY 23 H GLY 23 0.667 -8.435 2.623
150 1HA GLY 23 2HA GLY 23 -0.751 -7.329 4.101
151 2HA GLY 23 1HA GLY 23 0.692 -6.899 5.003
152 H VAL 24 H VAL 24 1.949 -5.010 4.153
153 HA VAL 24 HA VAL 24 0.797 -2.594 4.174
154 HB VAL 24 HB VAL 24 2.932 -3.651 2.321
155 1HG1 VAL 24 1HG1 VAL 24 1.989 -1.648 1.258
156 2HG1 VAL 24 2HG1 VAL 24 3.577 -1.281 1.932
157 3HG1 VAL 24 3HG1 VAL 24 2.119 -0.763 2.778
158 1HG2 VAL 24 1HG2 VAL 24 3.161 -3.536 4.882
159 2HG2 VAL 24 2HG2 VAL 24 3.166 -1.783 4.687
160 3HG2 VAL 24 3HG2 VAL 24 4.432 -2.759 3.940
161 H TRP 25 H TRP 25 -0.833 -1.556 3.138
162 HA TRP 25 HA TRP 25 -1.808 -2.625 0.530
163 1HB TRP 25 2HB TRP 25 -2.995 -0.676 2.536
164 2HB TRP 25 1HB TRP 25 -3.832 -1.338 1.136
165 HD1 TRP 25 HD TRP 25 -1.757 -3.013 3.969
166 HE1 TRP 25 1HE TRP 25 -3.145 -4.971 4.906
167 HE3 TRP 25 3HE TRP 25 -5.969 -2.555 1.118
168 HZ2 TRP 25 2HZ TRP 25 -5.706 -6.182 4.504
169 HZ3 TRP 25 3HZ TRP 25 -7.867 -4.119 1.419
170 HH2 TRP 25 HH TRP 25 -7.741 -5.931 3.106
171 H ALA 26 H ALA 26 -2.974 -0.565 -0.649
172 HA ALA 26 HA ALA 26 -0.975 1.664 -0.846
173 1HB ALA 26 1HB ALA 26 -0.500 0.886 -2.917
174 2HB ALA 26 2HB ALA 26 -2.175 1.200 -3.371
175 3HB ALA 26 3HB ALA 26 -1.713 -0.384 -2.748
176 H CYS 27 H CYS 27 -2.246 3.336 0.014
177 HA CYS 27 HA CYS 27 -5.099 3.436 -0.809
178 1HB CYS 27 2HB CYS 27 -3.464 4.217 1.493
179 2HB CYS 27 1HB CYS 27 -4.611 5.469 1.015
180 H THR 28 H THR 28 -5.743 4.850 -2.350
181 HA THR 28 HA THR 28 -3.846 6.951 -3.283
182 HB THR 28 HB THR 28 -4.963 5.173 -4.758
183 HG1 THR 28 1HG THR 28 -4.919 7.919 -5.142
184 1HG2 THR 28 1HG2 THR 28 -7.356 6.917 -4.118
185 2HG2 THR 28 2HG2 THR 28 -7.179 5.194 -3.785
186 3HG2 THR 28 3HG2 THR 28 -7.306 5.763 -5.451
187 H ARG 29 H ARG 29 -4.721 9.155 -3.642
188 HA ARG 29 HA ARG 29 -7.249 9.767 -2.178
189 1HB ARG 29 2HB ARG 29 -5.264 9.915 -0.654
190 2HB ARG 29 1HB ARG 29 -4.585 11.146 -1.720
191 1HG ARG 29 2HG ARG 29 -7.315 11.822 -1.110
192 2HG ARG 29 1HG ARG 29 -6.438 11.526 0.392
193 1HD ARG 29 2HD ARG 29 -4.839 13.075 -1.505
194 2HD ARG 29 1HD ARG 29 -6.355 13.892 -1.073
195 HE ARG 29 HE ARG 29 -4.442 12.828 0.975
196 1HH1 ARG 29 1HH2 ARG 29 -7.455 13.932 1.167
197 2HH1 ARG 29 2HH2 ARG 29 -7.120 15.423 1.984
198 1HH2 ARG 29 1HH1 ARG 29 -3.697 15.250 1.456
199 2HH2 ARG 29 2HH1 ARG 29 -4.992 16.168 2.149
200 H LYS 30 H LYS 30 -8.338 10.558 -3.981
201 HA LYS 30 HA LYS 30 -7.145 12.967 -5.299
202 1HB LYS 30 2HB LYS 30 -7.656 10.355 -6.390
203 2HB LYS 30 1HB LYS 30 -8.737 11.514 -7.165
204 1HG LYS 30 2HG LYS 30 -6.212 12.784 -6.974
205 2HG LYS 30 1HG LYS 30 -5.907 11.150 -7.566
206 1HD LYS 30 2HD LYS 30 -8.071 12.906 -8.738
207 2HD LYS 30 1HD LYS 30 -6.416 12.923 -9.347
208 1HE LYS 30 2HE LYS 30 -6.779 10.274 -9.388
209 2HE LYS 30 1HE LYS 30 -8.478 10.764 -9.545
210 1HZ LYS 30 1HZ LYS 30 -7.835 10.933 -11.714
211 2HZ LYS 30 2HZ LYS 30 -6.219 11.295 -11.334
212 3HZ LYS 30 3HZ LYS 30 -7.417 12.492 -11.194
213 H GLY 31 H GLY 31 -10.177 11.032 -5.329
214 1HA GLY 31 2HA GLY 31 -11.726 13.203 -4.182
215 2HA GLY 31 1HA GLY 31 -11.986 13.059 -5.923
216 H CYS 32 H CYS 32 -14.127 12.615 -4.234
217 HA CYS 32 HA CYS 32 -14.384 9.650 -4.010
218 1HB CYS 32 2HB CYS 32 -15.051 11.821 -2.374
219 2HB CYS 32 1HB CYS 32 -16.597 11.274 -3.029
220 HA PRO 33 HA PRO 33 -16.924 9.689 -7.616
221 1HB PRO 33 2HB PRO 33 -17.994 7.186 -7.332
222 2HB PRO 33 1HB PRO 33 -16.326 7.469 -7.868
223 1HG PRO 33 2HG PRO 33 -17.344 6.659 -5.197
224 2HG PRO 33 1HG PRO 33 -15.869 6.167 -6.043
225 1HD PRO 33 2HD PRO 33 -15.940 8.016 -4.016
226 2HD PRO 33 1HD PRO 33 -14.679 7.950 -5.265
227 HA PRO 34 HA PRO 34 -21.045 10.587 -6.387
228 1HB PRO 34 2HB PRO 34 -22.598 9.356 -8.276
229 2HB PRO 34 1HB PRO 34 -21.620 10.798 -8.617
230 1HG PRO 34 2HG PRO 34 -21.060 7.941 -9.236
231 2HG PRO 34 1HG PRO 34 -20.731 9.392 -10.196
232 1HD PRO 34 2HD PRO 34 -18.830 8.076 -8.743
233 2HD PRO 34 1HD PRO 34 -18.754 9.810 -9.127
234 H HIS 35 H HIS 35 -22.206 9.738 -4.696
235 HA HIS 35 HA HIS 35 -22.092 6.927 -4.004
236 1HB HIS 35 2HB HIS 35 -22.464 9.225 -2.665
237 2HB HIS 35 1HB HIS 35 -24.154 8.773 -2.879
238 HD1 HIS 35 1HD HIS 35 -23.043 5.594 -2.827
239 HD2 HIS 35 2HD HIS 35 -22.902 8.501 0.161
240 HE1 HIS 35 1HE HIS 35 -22.820 4.353 -0.628
Start of MODEL 2
1 1H GLU 1 1HT GLU 1 -3.239 -11.659 11.513
2 2H GLU 1 2HT GLU 1 -2.489 -10.258 12.114
3 3H GLU 1 3HT GLU 1 -2.215 -10.751 10.512
4 HA GLU 1 HA GLU 1 -4.255 -10.021 9.770
5 1HB GLU 1 2HB GLU 1 -6.135 -9.788 11.446
6 2HB GLU 1 1HB GLU 1 -5.493 -11.426 11.310
7 1HG GLU 1 2HG GLU 1 -4.088 -9.761 13.290
8 2HG GLU 1 1HG GLU 1 -5.784 -10.052 13.676
9 H GLN 2 H GLN 2 -2.267 -8.319 9.939
10 HA GLN 2 HA GLN 2 -3.453 -5.880 11.175
11 1HB GLN 2 2HB GLN 2 -1.395 -5.369 12.315
12 2HB GLN 2 1HB GLN 2 -1.777 -7.049 12.700
13 1HG GLN 2 2HG GLN 2 -0.306 -7.166 10.311
14 2HG GLN 2 1HG GLN 2 0.529 -5.973 11.306
15 1HE2 GLN 2 1HE2 GLN 2 2.191 -7.029 12.403
16 2HE2 GLN 2 2HE2 GLN 2 2.051 -8.540 13.161
17 H GLU 3 H GLU 3 -2.865 -7.076 8.385
18 HA GLU 3 HA GLU 3 -2.199 -4.627 7.056
19 1HB GLU 3 2HB GLU 3 0.077 -5.051 6.453
20 2HB GLU 3 1HB GLU 3 -0.018 -5.376 8.179
21 1HG GLU 3 2HG GLU 3 -0.073 -7.737 7.840
22 2HG GLU 3 1HG GLU 3 -0.358 -7.555 6.108
23 H CYS 4 H CYS 4 -2.377 -8.153 7.007
24 HA CYS 4 HA CYS 4 -3.297 -9.610 5.424
25 1HB CYS 4 2HB CYS 4 -5.250 -8.427 5.192
26 2HB CYS 4 1HB CYS 4 -4.419 -6.913 4.870
27 H THR 5 H THR 5 -3.177 -10.008 2.852
28 HA THR 5 HA THR 5 -0.913 -8.653 1.592
29 HB THR 5 HB THR 5 0.701 -9.998 2.379
30 HG1 THR 5 1HG THR 5 0.615 -11.396 0.781
31 1HG2 THR 5 1HG2 THR 5 -0.406 -10.320 4.450
32 2HG2 THR 5 2HG2 THR 5 0.080 -11.936 3.940
33 3HG2 THR 5 3HG2 THR 5 -1.592 -11.414 3.737
34 HA PRO 6 HA PRO 6 -2.381 -12.109 -1.392
35 1HB PRO 6 2HB PRO 6 -4.484 -13.681 -0.588
36 2HB PRO 6 1HB PRO 6 -2.778 -14.112 -0.344
37 1HG PRO 6 2HG PRO 6 -4.708 -12.875 1.570
38 2HG PRO 6 1HG PRO 6 -3.528 -14.171 1.839
39 1HD PRO 6 2HD PRO 6 -3.053 -11.658 2.616
40 2HD PRO 6 1HD PRO 6 -1.754 -12.703 2.017
41 H GLY 7 H GLY 7 -4.184 -9.770 0.198
42 1HA GLY 7 2HA GLY 7 -5.565 -8.266 -1.144
43 2HA GLY 7 1HA GLY 7 -6.058 -9.653 -2.115
44 H GLN 8 H GLN 8 -7.300 -7.536 -0.053
45 HA GLN 8 HA GLN 8 -9.388 -9.435 0.863
46 1HB GLN 8 2HB GLN 8 -7.456 -7.877 2.536
47 2HB GLN 8 1HB GLN 8 -9.111 -8.049 3.134
48 1HG GLN 8 2HG GLN 8 -8.715 -10.594 2.469
49 2HG GLN 8 1HG GLN 8 -7.023 -10.148 2.699
50 1HE2 GLN 8 1HE2 GLN 8 -9.838 -11.138 4.356
51 2HE2 GLN 8 2HE2 GLN 8 -9.338 -10.748 5.929
52 H THR 9 H THR 9 -8.816 -6.878 -0.885
53 HA THR 9 HA THR 9 -9.890 -4.817 -1.326
54 HB THR 9 HB THR 9 -12.410 -6.253 -0.615
55 HG1 THR 9 1HG THR 9 -10.508 -7.100 -2.537
56 1HG2 THR 9 1HG2 THR 9 -13.136 -5.401 -2.735
57 2HG2 THR 9 2HG2 THR 9 -11.482 -5.029 -3.221
58 3HG2 THR 9 3HG2 THR 9 -12.258 -4.092 -1.944
59 H LYS 10 H LYS 10 -9.318 -3.416 0.425
60 HA LYS 10 HA LYS 10 -11.126 -3.443 2.805
61 1HB LYS 10 2HB LYS 10 -8.844 -3.524 3.429
62 2HB LYS 10 1HB LYS 10 -8.372 -2.378 2.172
63 1HG LYS 10 2HG LYS 10 -9.129 -0.537 3.374
64 2HG LYS 10 1HG LYS 10 -10.298 -1.487 4.290
65 1HD LYS 10 2HD LYS 10 -8.717 -2.226 5.810
66 2HD LYS 10 1HD LYS 10 -7.393 -2.099 4.650
67 1HE LYS 10 2HE LYS 10 -8.187 0.525 4.850
68 2HE LYS 10 1HE LYS 10 -8.448 -0.062 6.505
69 1HZ LYS 10 1HZ LYS 10 -5.971 0.040 4.941
70 2HZ LYS 10 2HZ LYS 10 -6.174 -1.253 6.024
71 3HZ LYS 10 3HZ LYS 10 -6.218 0.348 6.591
72 H LYS 11 H LYS 11 -12.943 -2.266 2.042
73 HA LYS 11 HA LYS 11 -12.687 0.183 0.488
74 1HB LYS 11 2HB LYS 11 -15.100 0.236 0.759
75 2HB LYS 11 1HB LYS 11 -14.623 -1.447 0.520
76 1HG LYS 11 2HG LYS 11 -14.678 -1.820 2.954
77 2HG LYS 11 1HG LYS 11 -15.133 -0.134 3.208
78 1HD LYS 11 2HD LYS 11 -16.987 -1.015 1.339
79 2HD LYS 11 1HD LYS 11 -16.796 -2.406 2.407
80 1HE LYS 11 2HE LYS 11 -17.322 -1.059 4.362
81 2HE LYS 11 1HE LYS 11 -17.348 0.420 3.381
82 1HZ LYS 11 1HZ LYS 11 -19.541 -0.122 3.262
83 2HZ LYS 11 2HZ LYS 11 -19.267 -1.786 3.468
84 3HZ LYS 11 3HZ LYS 11 -18.988 -1.057 1.959
85 H GLN 12 H GLN 12 -12.562 2.284 1.270
86 HA GLN 12 HA GLN 12 -12.858 2.679 4.230
87 1HB GLN 12 2HB GLN 12 -10.583 3.041 2.414
88 2HB GLN 12 1HB GLN 12 -10.929 4.480 3.372
89 1HG GLN 12 2HG GLN 12 -10.990 1.889 4.826
90 2HG GLN 12 1HG GLN 12 -9.405 2.449 4.294
91 1HE2 GLN 12 1HE2 GLN 12 -12.331 4.090 5.658
92 2HE2 GLN 12 2HE2 GLN 12 -11.468 4.955 6.835
93 H ASP 13 H ASP 13 -12.189 4.748 1.380
94 HA ASP 13 HA ASP 13 -14.782 6.032 1.414
95 1HB ASP 13 2HB ASP 13 -14.028 8.148 2.469
96 2HB ASP 13 1HB ASP 13 -13.871 6.786 3.584
97 H CYS 14 H CYS 14 -13.082 8.664 0.931
98 HA CYS 14 HA CYS 14 -13.212 9.077 -1.709
99 1HB CYS 14 2HB CYS 14 -10.806 9.598 0.058
100 2HB CYS 14 1HB CYS 14 -11.152 10.451 -1.446
101 H ASN 15 H ASN 15 -10.686 7.055 -0.216
102 HA ASN 15 HA ASN 15 -9.907 6.184 -2.982
103 1HB ASN 15 2HB ASN 15 -8.258 6.564 -0.465
104 2HB ASN 15 1HB ASN 15 -7.628 5.972 -2.007
105 1HD2 ASN 15 1HD2 ASN 15 -7.079 8.569 -0.471
106 2HD2 ASN 15 2HD2 ASN 15 -7.380 9.802 -1.612
107 H THR 16 H THR 16 -9.655 3.972 -3.297
108 HA THR 16 HA THR 16 -10.691 2.185 -1.172
109 HB THR 16 HB THR 16 -9.909 1.802 -4.083
110 HG1 THR 16 1HG THR 16 -12.448 1.858 -2.827
111 1HG2 THR 16 1HG2 THR 16 -10.861 -0.391 -3.948
112 2HG2 THR 16 2HG2 THR 16 -11.466 -0.095 -2.318
113 3HG2 THR 16 3HG2 THR 16 -9.732 -0.254 -2.599
114 H CYS 17 H CYS 17 -9.389 0.567 -0.201
115 HA CYS 17 HA CYS 17 -6.452 0.869 -0.673
116 1HB CYS 17 2HB CYS 17 -8.217 0.599 1.608
117 2HB CYS 17 1HB CYS 17 -6.980 -0.658 1.637
118 H ASN 18 H ASN 18 -5.580 -0.711 -1.930
119 HA ASN 18 HA ASN 18 -6.842 -3.421 -1.962
120 1HB ASN 18 2HB ASN 18 -6.046 -1.695 -3.957
121 2HB ASN 18 1HB ASN 18 -4.649 -2.764 -3.826
122 1HD2 ASN 18 1HD2 ASN 18 -8.032 -2.600 -4.764
123 2HD2 ASN 18 2HD2 ASN 18 -8.138 -4.182 -5.369
124 H CYS 19 H CYS 19 -5.728 -5.128 -1.070
125 HA CYS 19 HA CYS 19 -3.347 -4.648 0.501
126 1HB CYS 19 2HB CYS 19 -5.404 -6.391 0.521
127 2HB CYS 19 1HB CYS 19 -4.192 -7.385 -0.284
128 H THR 20 H THR 20 -1.247 -5.540 0.151
129 HA THR 20 HA THR 20 -0.649 -6.287 -2.696
130 HB THR 20 HB THR 20 1.618 -5.273 -1.223
131 HG1 THR 20 1HG THR 20 -0.315 -3.293 -1.420
132 1HG2 THR 20 1HG2 THR 20 0.832 -5.243 -3.764
133 2HG2 THR 20 2HG2 THR 20 1.899 -3.992 -3.126
134 3HG2 THR 20 3HG2 THR 20 0.172 -3.676 -3.294
135 HA PRO 21 HA PRO 21 1.459 -9.832 -1.138
136 1HB PRO 21 2HB PRO 21 4.043 -9.725 -2.022
137 2HB PRO 21 1HB PRO 21 2.668 -10.037 -3.097
138 1HG PRO 21 2HG PRO 21 4.219 -7.541 -2.687
139 2HG PRO 21 1HG PRO 21 3.484 -8.187 -4.161
140 1HD PRO 21 2HD PRO 21 2.415 -6.157 -2.640
141 2HD PRO 21 1HD PRO 21 1.482 -7.189 -3.744
142 H THR 22 H THR 22 1.362 -7.844 0.870
143 HA THR 22 HA THR 22 3.101 -8.715 2.866
144 HB THR 22 HB THR 22 5.021 -8.055 1.636
145 HG1 THR 22 1HG THR 22 5.505 -7.157 3.481
146 1HG2 THR 22 1HG2 THR 22 4.637 -5.322 1.010
147 2HG2 THR 22 2HG2 THR 22 3.176 -6.161 0.491
148 3HG2 THR 22 3HG2 THR 22 4.750 -6.673 -0.118
149 H GLY 23 H GLY 23 0.446 -7.623 2.648
150 1HA GLY 23 2HA GLY 23 -0.976 -6.083 3.709
151 2HA GLY 23 1HA GLY 23 0.287 -5.995 4.930
152 H VAL 24 H VAL 24 -0.416 -3.703 5.051
153 HA VAL 24 HA VAL 24 0.105 -1.439 4.743
154 HB VAL 24 HB VAL 24 2.159 -0.944 3.849
155 1HG1 VAL 24 1HG1 VAL 24 2.868 -3.781 3.516
156 2HG1 VAL 24 2HG1 VAL 24 2.072 -3.398 5.042
157 3HG1 VAL 24 3HG1 VAL 24 3.554 -2.560 4.587
158 1HG2 VAL 24 1HG2 VAL 24 2.867 -2.679 1.799
159 2HG2 VAL 24 2HG2 VAL 24 2.264 -1.037 1.596
160 3HG2 VAL 24 3HG2 VAL 24 1.153 -2.399 1.513
161 H TRP 25 H TRP 25 -1.346 -3.402 2.453
162 HA TRP 25 HA TRP 25 -2.544 -2.954 0.443
163 1HB TRP 25 2HB TRP 25 -3.264 -0.615 2.233
164 2HB TRP 25 1HB TRP 25 -4.280 -1.325 0.979
165 HD1 TRP 25 HD TRP 25 -2.566 -2.349 4.285
166 HE1 TRP 25 1HE TRP 25 -4.010 -4.165 5.410
167 HE3 TRP 25 3HE TRP 25 -6.151 -2.971 0.702
168 HZ2 TRP 25 2HZ TRP 25 -6.375 -5.679 4.862
169 HZ3 TRP 25 3HZ TRP 25 -7.986 -4.602 1.029
170 HH2 TRP 25 HH TRP 25 -8.103 -5.957 3.103
171 H ALA 26 H ALA 26 -3.412 -0.332 -0.425
172 HA ALA 26 HA ALA 26 -0.857 1.029 -1.169
173 1HB ALA 26 1HB ALA 26 -1.051 -0.082 -3.149
174 2HB ALA 26 2HB ALA 26 -2.354 1.057 -3.486
175 3HB ALA 26 3HB ALA 26 -2.723 -0.535 -2.825
176 H CYS 27 H CYS 27 -4.340 1.239 -2.001
177 HA CYS 27 HA CYS 27 -5.830 3.067 -1.846
178 1HB CYS 27 2HB CYS 27 -4.035 3.070 0.462
179 2HB CYS 27 1HB CYS 27 -4.652 4.680 0.097
180 H THR 28 H THR 28 -5.722 4.364 -3.654
181 HA THR 28 HA THR 28 -3.294 5.856 -4.341
182 HB THR 28 HB THR 28 -5.664 6.614 -5.808
183 HG1 THR 28 1HG THR 28 -6.386 4.603 -6.387
184 1HG2 THR 28 1HG2 THR 28 -4.270 6.232 -7.558
185 2HG2 THR 28 2HG2 THR 28 -3.812 4.635 -6.964
186 3HG2 THR 28 3HG2 THR 28 -3.031 6.075 -6.313
187 H ARG 29 H ARG 29 -4.767 8.191 -5.377
188 HA ARG 29 HA ARG 29 -5.695 9.514 -2.865
189 1HB ARG 29 2HB ARG 29 -3.400 10.272 -4.681
190 2HB ARG 29 1HB ARG 29 -4.161 11.449 -3.609
191 1HG ARG 29 2HG ARG 29 -3.482 10.318 -1.670
192 2HG ARG 29 1HG ARG 29 -3.240 8.796 -2.528
193 1HD ARG 29 2HD ARG 29 -1.025 9.458 -2.348
194 2HD ARG 29 1HD ARG 29 -1.435 10.316 -3.847
195 HE ARG 29 HE ARG 29 -1.975 11.726 -1.295
196 1HH1 ARG 29 1HH1 ARG 29 0.980 11.236 -2.299
197 2HH1 ARG 29 2HH1 ARG 29 1.295 12.788 -3.000
198 1HH2 ARG 29 1HH2 ARG 29 -2.036 13.759 -2.992
199 2HH2 ARG 29 2HH2 ARG 29 -0.414 14.219 -3.389
200 H LYS 30 H LYS 30 -7.341 10.987 -3.242
201 HA LYS 30 HA LYS 30 -7.753 12.418 -5.697
202 1HB LYS 30 2HB LYS 30 -8.158 9.888 -6.210
203 2HB LYS 30 1HB LYS 30 -9.673 10.122 -5.338
204 1HG LYS 30 2HG LYS 30 -10.592 11.067 -7.158
205 2HG LYS 30 1HG LYS 30 -9.339 12.308 -7.155
206 1HD LYS 30 2HD LYS 30 -8.574 11.413 -9.076
207 2HD LYS 30 1HD LYS 30 -8.065 10.010 -8.135
208 1HE LYS 30 2HE LYS 30 -9.478 8.922 -9.608
209 2HE LYS 30 1HE LYS 30 -10.702 9.428 -8.426
210 1HZ LYS 30 1HZ LYS 30 -9.852 10.949 -10.836
211 2HZ LYS 30 2HZ LYS 30 -10.946 11.515 -9.664
212 3HZ LYS 30 3HZ LYS 30 -11.343 10.168 -10.623
213 H GLY 31 H GLY 31 -10.058 13.376 -5.718
214 1HA GLY 31 2HA GLY 31 -10.776 14.104 -2.951
215 2HA GLY 31 1HA GLY 31 -11.427 14.843 -4.420
216 H CYS 32 H CYS 32 -11.276 11.429 -3.457
217 HA CYS 32 HA CYS 32 -12.946 9.802 -3.296
218 1HB CYS 32 2HB CYS 32 -15.078 11.762 -2.679
219 2HB CYS 32 1HB CYS 32 -14.559 10.357 -1.766
220 HA PRO 33 HA PRO 33 -14.829 9.966 -7.237
221 1HB PRO 33 2HB PRO 33 -16.189 7.594 -7.109
222 2HB PRO 33 1HB PRO 33 -14.442 7.716 -7.383
223 1HG PRO 33 2HG PRO 33 -15.920 7.001 -4.920
224 2HG PRO 33 1HG PRO 33 -14.352 6.438 -5.506
225 1HD PRO 33 2HD PRO 33 -14.698 8.323 -3.515
226 2HD PRO 33 1HD PRO 33 -13.221 8.119 -4.481
227 HA PRO 34 HA PRO 34 -19.375 9.897 -5.713
228 1HB PRO 34 2HB PRO 34 -19.809 10.453 -3.073
229 2HB PRO 34 1HB PRO 34 -19.636 8.801 -3.696
230 1HG PRO 34 2HG PRO 34 -17.677 10.490 -2.247
231 2HG PRO 34 1HG PRO 34 -17.937 8.742 -2.175
232 1HD PRO 34 2HD PRO 34 -15.908 9.968 -3.560
233 2HD PRO 34 1HD PRO 34 -16.528 8.344 -3.905
234 H HIS 35 H HIS 35 -16.870 12.023 -5.245
235 HA HIS 35 HA HIS 35 -18.471 14.378 -4.459
236 1HB HIS 35 2HB HIS 35 -15.905 13.626 -4.070
237 2HB HIS 35 1HB HIS 35 -15.700 14.589 -5.532
238 HD1 HIS 35 1HD HIS 35 -15.759 14.958 -1.976
239 HD2 HIS 35 2HD HIS 35 -17.150 17.272 -5.153
240 HE1 HIS 35 1HE HIS 35 -16.082 17.300 -1.069
Start of MODEL 3
1 1H GLU 1 1HT GLU 1 2.884 -9.806 5.115
2 2H GLU 1 2HT GLU 1 3.764 -9.805 6.568
3 3H GLU 1 3HT GLU 1 2.151 -9.269 6.547
4 HA GLU 1 HA GLU 1 1.756 -11.707 5.612
5 1HB GLU 1 2HB GLU 1 4.204 -12.089 5.628
6 2HB GLU 1 1HB GLU 1 4.231 -11.800 7.367
7 1HG GLU 1 2HG GLU 1 2.875 -13.738 7.795
8 2HG GLU 1 1HG GLU 1 2.535 -13.949 6.076
9 H GLN 2 H GLN 2 2.572 -9.824 8.472
10 HA GLN 2 HA GLN 2 0.712 -11.439 10.150
11 1HB GLN 2 2HB GLN 2 1.744 -10.124 11.971
12 2HB GLN 2 1HB GLN 2 2.982 -10.868 10.959
13 1HG GLN 2 2HG GLN 2 3.405 -8.807 9.807
14 2HG GLN 2 1HG GLN 2 1.986 -8.044 10.526
15 1HE2 GLN 2 1HE2 GLN 2 4.155 -10.134 12.398
16 2HE2 GLN 2 2HE2 GLN 2 4.785 -8.899 13.378
17 H GLU 3 H GLU 3 0.438 -8.932 8.034
18 HA GLU 3 HA GLU 3 -1.709 -7.583 9.648
19 1HB GLU 3 2HB GLU 3 -1.113 -5.773 7.735
20 2HB GLU 3 1HB GLU 3 -0.238 -5.834 9.258
21 1HG GLU 3 2HG GLU 3 1.489 -7.256 8.216
22 2HG GLU 3 1HG GLU 3 0.600 -7.227 6.697
23 H CYS 4 H CYS 4 -0.708 -8.824 6.498
24 HA CYS 4 HA CYS 4 -3.304 -9.715 5.710
25 1HB CYS 4 2HB CYS 4 -3.960 -7.411 5.702
26 2HB CYS 4 1HB CYS 4 -2.454 -6.913 4.928
27 H THR 5 H THR 5 -3.317 -10.269 3.339
28 HA THR 5 HA THR 5 -0.532 -10.560 2.268
29 HB THR 5 HB THR 5 -2.447 -12.636 1.555
30 HG1 THR 5 1HG THR 5 -2.095 -13.425 3.900
31 1HG2 THR 5 1HG2 THR 5 0.321 -12.327 2.029
32 2HG2 THR 5 2HG2 THR 5 -0.511 -13.782 1.481
33 3HG2 THR 5 3HG2 THR 5 -0.256 -13.509 3.204
34 HA PRO 6 HA PRO 6 -2.296 -9.409 -1.624
35 1HB PRO 6 2HB PRO 6 -1.753 -11.385 -3.428
36 2HB PRO 6 1HB PRO 6 -0.495 -10.351 -2.725
37 1HG PRO 6 2HG PRO 6 -1.152 -13.163 -2.154
38 2HG PRO 6 1HG PRO 6 0.382 -12.305 -1.988
39 1HD PRO 6 2HD PRO 6 -1.425 -12.965 0.072
40 2HD PRO 6 1HD PRO 6 -0.004 -11.913 0.205
41 H GLY 7 H GLY 7 -4.576 -9.541 -0.896
42 1HA GLY 7 2HA GLY 7 -6.374 -10.706 -2.639
43 2HA GLY 7 1HA GLY 7 -6.112 -11.962 -1.426
44 H GLN 8 H GLN 8 -6.085 -8.482 -0.749
45 HA GLN 8 HA GLN 8 -8.628 -8.861 0.793
46 1HB GLN 8 2HB GLN 8 -5.951 -7.691 1.477
47 2HB GLN 8 1HB GLN 8 -7.392 -7.024 2.248
48 1HG GLN 8 2HG GLN 8 -7.865 -9.693 2.523
49 2HG GLN 8 1HG GLN 8 -6.104 -9.658 2.627
50 1HE2 GLN 8 1HE2 GLN 8 -7.232 -10.358 4.977
51 2HE2 GLN 8 2HE2 GLN 8 -7.268 -9.069 6.079
52 H THR 9 H THR 9 -9.249 -6.356 1.479
53 HA THR 9 HA THR 9 -8.737 -4.291 -0.458
54 HB THR 9 HB THR 9 -11.444 -4.848 -1.066
55 HG1 THR 9 1HG THR 9 -11.453 -6.951 -1.617
56 1HG2 THR 9 1HG2 THR 9 -8.810 -4.901 -2.466
57 2HG2 THR 9 2HG2 THR 9 -10.238 -3.919 -2.795
58 3HG2 THR 9 3HG2 THR 9 -10.196 -5.610 -3.295
59 H LYS 10 H LYS 10 -9.363 -2.395 0.518
60 HA LYS 10 HA LYS 10 -11.342 -2.571 2.763
61 1HB LYS 10 2HB LYS 10 -9.273 -0.421 2.237
62 2HB LYS 10 1HB LYS 10 -10.093 -0.782 3.756
63 1HG LYS 10 2HG LYS 10 -8.785 -3.163 2.840
64 2HG LYS 10 1HG LYS 10 -7.623 -1.835 2.816
65 1HD LYS 10 2HD LYS 10 -9.206 -1.652 5.208
66 2HD LYS 10 1HD LYS 10 -8.551 -3.284 5.075
67 1HE LYS 10 2HE LYS 10 -6.611 -2.425 5.898
68 2HE LYS 10 1HE LYS 10 -6.418 -1.618 4.328
69 1HZ LYS 10 1HZ LYS 10 -6.450 0.136 5.839
70 2HZ LYS 10 2HZ LYS 10 -7.660 -0.572 6.799
71 3HZ LYS 10 3HZ LYS 10 -8.051 0.083 5.280
72 H LYS 11 H LYS 11 -12.562 -0.392 3.052
73 HA LYS 11 HA LYS 11 -13.126 0.890 0.404
74 1HB LYS 11 2HB LYS 11 -15.547 0.700 0.987
75 2HB LYS 11 1HB LYS 11 -14.772 -0.876 0.829
76 1HG LYS 11 2HG LYS 11 -15.043 -1.367 3.031
77 2HG LYS 11 1HG LYS 11 -14.632 0.271 3.541
78 1HD LYS 11 2HD LYS 11 -16.820 1.048 3.275
79 2HD LYS 11 1HD LYS 11 -17.244 -0.243 2.150
80 1HE LYS 11 2HE LYS 11 -17.442 -1.851 3.882
81 2HE LYS 11 1HE LYS 11 -16.551 -0.836 5.035
82 1HZ LYS 11 1HZ LYS 11 -18.292 0.722 5.103
83 2HZ LYS 11 2HZ LYS 11 -19.057 -0.789 5.234
84 3HZ LYS 11 3HZ LYS 11 -19.072 0.049 3.756
85 H GLN 12 H GLN 12 -11.615 2.458 1.744
86 HA GLN 12 HA GLN 12 -12.938 3.938 3.909
87 1HB GLN 12 2HB GLN 12 -10.328 3.849 2.487
88 2HB GLN 12 1HB GLN 12 -10.768 5.405 3.189
89 1HG GLN 12 2HG GLN 12 -10.147 4.645 5.211
90 2HG GLN 12 1HG GLN 12 -11.412 3.419 5.115
91 1HE2 GLN 12 1HE2 GLN 12 -8.065 3.805 5.383
92 2HE2 GLN 12 2HE2 GLN 12 -7.590 2.259 4.868
93 H ASP 13 H ASP 13 -13.081 6.414 3.640
94 HA ASP 13 HA ASP 13 -14.963 7.254 1.804
95 1HB ASP 13 2HB ASP 13 -13.107 8.387 3.639
96 2HB ASP 13 1HB ASP 13 -12.998 9.333 2.151
97 H CYS 14 H CYS 14 -14.631 6.351 -0.293
98 HA CYS 14 HA CYS 14 -13.903 6.378 -2.517
99 1HB CYS 14 2HB CYS 14 -13.754 8.526 -3.107
100 2HB CYS 14 1HB CYS 14 -13.647 8.946 -1.410
101 H ASN 15 H ASN 15 -11.169 7.401 -0.435
102 HA ASN 15 HA ASN 15 -9.126 6.441 -2.019
103 1HB ASN 15 2HB ASN 15 -9.465 6.567 0.987
104 2HB ASN 15 1HB ASN 15 -7.912 6.229 0.217
105 1HD2 ASN 15 1HD2 ASN 15 -7.795 8.500 1.644
106 2HD2 ASN 15 2HD2 ASN 15 -7.941 9.891 0.667
107 H THR 16 H THR 16 -9.808 4.404 -2.987
108 HA THR 16 HA THR 16 -10.534 2.092 -1.410
109 HB THR 16 HB THR 16 -9.379 2.302 -4.210
110 HG1 THR 16 1HG THR 16 -11.362 2.801 -4.854
111 1HG2 THR 16 1HG2 THR 16 -11.221 0.282 -4.207
112 2HG2 THR 16 2HG2 THR 16 -10.544 0.134 -2.585
113 3HG2 THR 16 3HG2 THR 16 -9.487 0.041 -3.993
114 H CYS 17 H CYS 17 -9.180 0.665 -0.369
115 HA CYS 17 HA CYS 17 -6.234 0.973 -0.828
116 1HB CYS 17 2HB CYS 17 -8.000 0.779 1.491
117 2HB CYS 17 1HB CYS 17 -6.671 -0.377 1.572
118 H ASN 18 H ASN 18 -5.212 -0.766 -1.722
119 HA ASN 18 HA ASN 18 -6.605 -3.425 -1.644
120 1HB ASN 18 2HB ASN 18 -4.937 -1.950 -3.677
121 2HB ASN 18 1HB ASN 18 -5.062 -3.708 -3.748
122 1HD2 ASN 18 1HD2 ASN 18 -6.367 -1.154 -5.238
123 2HD2 ASN 18 2HD2 ASN 18 -7.971 -1.675 -5.436
124 H CYS 19 H CYS 19 -5.361 -5.208 -0.985
125 HA CYS 19 HA CYS 19 -2.841 -4.598 0.431
126 1HB CYS 19 2HB CYS 19 -4.938 -6.096 1.068
127 2HB CYS 19 1HB CYS 19 -4.067 -7.324 0.153
128 H THR 20 H THR 20 -1.154 -6.517 0.201
129 HA THR 20 HA THR 20 -0.853 -7.387 -2.637
130 HB THR 20 HB THR 20 1.677 -6.469 -1.704
131 HG1 THR 20 1HG THR 20 1.211 -4.354 -1.171
132 1HG2 THR 20 1HG2 THR 20 -0.143 -6.114 -3.919
133 2HG2 THR 20 2HG2 THR 20 1.613 -5.953 -3.891
134 3HG2 THR 20 3HG2 THR 20 0.595 -4.571 -3.485
135 HA PRO 21 HA PRO 21 1.070 -10.950 -0.923
136 1HB PRO 21 2HB PRO 21 3.539 -11.177 -2.092
137 2HB PRO 21 1HB PRO 21 2.023 -11.506 -2.956
138 1HG PRO 21 2HG PRO 21 3.740 -9.072 -3.006
139 2HG PRO 21 1HG PRO 21 2.882 -9.876 -4.330
140 1HD PRO 21 2HD PRO 21 1.961 -7.624 -3.134
141 2HD PRO 21 1HD PRO 21 0.887 -8.849 -3.844
142 H THR 22 H THR 22 1.204 -9.110 0.967
143 HA THR 22 HA THR 22 3.230 -9.748 2.760
144 HB THR 22 HB THR 22 4.966 -9.038 1.325
145 HG1 THR 22 1HG THR 22 4.881 -6.537 2.312
146 1HG2 THR 22 1HG2 THR 22 4.174 -7.956 -0.516
147 2HG2 THR 22 2HG2 THR 22 4.550 -6.498 0.403
148 3HG2 THR 22 3HG2 THR 22 2.906 -7.136 0.394
149 H GLY 23 H GLY 23 0.484 -8.715 2.636
150 1HA GLY 23 2HA GLY 23 -0.900 -7.312 3.897
151 2HA GLY 23 1HA GLY 23 0.511 -6.995 4.907
152 H VAL 24 H VAL 24 0.623 -4.808 5.081
153 HA VAL 24 HA VAL 24 0.706 -2.535 4.442
154 HB VAL 24 HB VAL 24 1.759 -3.717 1.861
155 1HG1 VAL 24 1HG1 VAL 24 2.080 -1.500 1.495
156 2HG1 VAL 24 2HG1 VAL 24 3.381 -1.634 2.678
157 3HG1 VAL 24 3HG1 VAL 24 1.782 -1.094 3.185
158 1HG2 VAL 24 1HG2 VAL 24 3.151 -4.905 3.225
159 2HG2 VAL 24 2HG2 VAL 24 2.788 -3.902 4.630
160 3HG2 VAL 24 3HG2 VAL 24 3.963 -3.354 3.435
161 H TRP 25 H TRP 25 0.049 -1.020 2.488
162 HA TRP 25 HA TRP 25 -2.187 -2.107 0.875
163 1HB TRP 25 2HB TRP 25 -2.421 -0.029 3.073
164 2HB TRP 25 1HB TRP 25 -3.685 -0.330 1.882
165 HD1 TRP 25 HD TRP 25 -1.892 -1.969 4.834
166 HE1 TRP 25 1HE TRP 25 -3.310 -3.961 5.662
167 HE3 TRP 25 3HE TRP 25 -5.461 -2.065 1.187
168 HZ2 TRP 25 2HZ TRP 25 -5.666 -5.396 4.866
169 HZ3 TRP 25 3HZ TRP 25 -7.276 -3.749 1.243
170 HH2 TRP 25 HH TRP 25 -7.381 -5.413 3.073
171 H ALA 26 H ALA 26 -3.280 0.452 0.247
172 HA ALA 26 HA ALA 26 -1.291 2.402 -0.486
173 1HB ALA 26 1HB ALA 26 -2.217 0.562 -2.704
174 2HB ALA 26 2HB ALA 26 -0.675 0.362 -1.870
175 3HB ALA 26 3HB ALA 26 -0.989 1.825 -2.803
176 H CYS 27 H CYS 27 -3.192 3.648 0.305
177 HA CYS 27 HA CYS 27 -5.618 3.535 -1.353
178 1HB CYS 27 2HB CYS 27 -4.712 4.668 1.221
179 2HB CYS 27 1HB CYS 27 -5.878 5.672 0.361
180 H THR 28 H THR 28 -6.322 5.280 -2.694
181 HA THR 28 HA THR 28 -4.167 7.243 -3.408
182 HB THR 28 HB THR 28 -4.732 5.436 -5.060
183 HG1 THR 28 1HG THR 28 -4.044 7.057 -6.209
184 1HG2 THR 28 1HG2 THR 28 -6.858 5.036 -5.760
185 2HG2 THR 28 2HG2 THR 28 -7.286 6.747 -5.763
186 3HG2 THR 28 3HG2 THR 28 -7.308 5.835 -4.253
187 H ARG 29 H ARG 29 -4.760 9.204 -2.553
188 HA ARG 29 HA ARG 29 -7.591 9.925 -2.184
189 1HB ARG 29 2HB ARG 29 -5.958 10.493 -0.489
190 2HB ARG 29 1HB ARG 29 -4.932 11.293 -1.681
191 1HG ARG 29 2HG ARG 29 -6.149 13.202 -1.608
192 2HG ARG 29 1HG ARG 29 -7.680 12.324 -1.642
193 1HD ARG 29 2HD ARG 29 -7.834 13.094 0.524
194 2HD ARG 29 1HD ARG 29 -6.800 11.692 0.866
195 HE ARG 29 HE ARG 29 -4.869 13.162 0.874
196 1HH1 ARG 29 1HH2 ARG 29 -7.205 14.645 2.372
197 2HH1 ARG 29 2HH2 ARG 29 -6.916 16.260 1.816
198 1HH2 ARG 29 1HH1 ARG 29 -4.786 15.281 -0.740
199 2HH2 ARG 29 2HH1 ARG 29 -5.546 16.620 0.052
200 H LYS 30 H LYS 30 -8.548 10.355 -4.192
201 HA LYS 30 HA LYS 30 -8.064 12.858 -5.477
202 1HB LYS 30 2HB LYS 30 -6.298 10.673 -6.159
203 2HB LYS 30 1HB LYS 30 -7.230 11.151 -7.578
204 1HG LYS 30 2HG LYS 30 -5.956 13.249 -5.840
205 2HG LYS 30 1HG LYS 30 -4.995 12.409 -7.054
206 1HD LYS 30 2HD LYS 30 -7.250 13.039 -8.483
207 2HD LYS 30 1HD LYS 30 -7.112 14.428 -7.406
208 1HE LYS 30 2HE LYS 30 -5.024 13.392 -9.350
209 2HE LYS 30 1HE LYS 30 -5.799 14.989 -9.334
210 1HZ LYS 30 1HZ LYS 30 -4.901 15.016 -6.902
211 2HZ LYS 30 2HZ LYS 30 -3.877 15.438 -8.191
212 3HZ LYS 30 3HZ LYS 30 -3.784 13.889 -7.500
213 H GLY 31 H GLY 31 -10.404 12.768 -5.371
214 1HA GLY 31 2HA GLY 31 -12.054 12.501 -7.352
215 2HA GLY 31 1HA GLY 31 -11.679 10.781 -7.200
216 H CYS 32 H CYS 32 -12.275 13.279 -4.716
217 HA CYS 32 HA CYS 32 -14.898 12.374 -3.995
218 1HB CYS 32 2HB CYS 32 -14.050 11.185 -1.836
219 2HB CYS 32 1HB CYS 32 -13.947 10.309 -3.362
220 HA PRO 33 HA PRO 33 -14.549 15.890 -1.417
221 1HB PRO 33 2HB PRO 33 -16.349 15.333 0.565
222 2HB PRO 33 1HB PRO 33 -16.832 15.725 -1.097
223 1HG PRO 33 2HG PRO 33 -16.744 13.105 0.276
224 2HG PRO 33 1HG PRO 33 -17.836 13.685 -0.989
225 1HD PRO 33 2HD PRO 33 -15.674 11.982 -1.377
226 2HD PRO 33 1HD PRO 33 -16.494 12.912 -2.645
227 HA PRO 34 HA PRO 34 -11.610 14.672 1.685
228 1HB PRO 34 2HB PRO 34 -10.960 17.194 2.521
229 2HB PRO 34 1HB PRO 34 -10.360 16.493 1.006
230 1HG PRO 34 2HG PRO 34 -12.553 18.449 1.446
231 2HG PRO 34 1HG PRO 34 -11.377 18.347 0.128
232 1HD PRO 34 2HD PRO 34 -13.981 17.507 -0.060
233 2HD PRO 34 1HD PRO 34 -12.654 16.889 -1.068
234 H HIS 35 H HIS 35 -12.758 17.661 3.125
235 HA HIS 35 HA HIS 35 -13.679 18.011 5.286
236 1HB HIS 35 2HB HIS 35 -15.391 16.461 3.518
237 2HB HIS 35 1HB HIS 35 -15.742 16.102 5.209
238 HD1 HIS 35 1HD HIS 35 -15.165 18.875 6.447
239 HD2 HIS 35 2HD HIS 35 -17.413 18.311 2.980
240 HE1 HIS 35 1HE HIS 35 -16.642 20.920 6.209
Start of MODEL 4
1 1H GLU 1 1HT GLU 1 4.118 -11.777 12.945
2 2H GLU 1 2HT GLU 1 2.920 -10.763 13.597
3 3H GLU 1 3HT GLU 1 4.558 -10.487 13.954
4 HA GLU 1 HA GLU 1 3.799 -8.884 12.311
5 1HB GLU 1 2HB GLU 1 5.725 -11.093 11.568
6 2HB GLU 1 1HB GLU 1 5.544 -9.653 10.565
7 1HG GLU 1 2HG GLU 1 6.140 -9.533 13.533
8 2HG GLU 1 1HG GLU 1 7.397 -9.522 12.295
9 H GLN 2 H GLN 2 1.770 -8.878 11.327
10 HA GLN 2 HA GLN 2 1.445 -10.128 8.752
11 1HB GLN 2 2HB GLN 2 1.255 -12.135 10.150
12 2HB GLN 2 1HB GLN 2 0.008 -11.357 11.127
13 1HG GLN 2 2HG GLN 2 -1.391 -11.133 9.055
14 2HG GLN 2 1HG GLN 2 -0.179 -12.077 8.188
15 1HE2 GLN 2 1HE2 GLN 2 -2.738 -13.158 8.323
16 2HE2 GLN 2 2HE2 GLN 2 -2.766 -14.470 9.399
17 H GLU 3 H GLU 3 -0.081 -8.913 7.676
18 HA GLU 3 HA GLU 3 -2.180 -7.522 9.302
19 1HB GLU 3 2HB GLU 3 -1.363 -5.969 7.001
20 2HB GLU 3 1HB GLU 3 -1.342 -5.506 8.696
21 1HG GLU 3 2HG GLU 3 0.828 -7.226 7.474
22 2HG GLU 3 1HG GLU 3 0.910 -5.465 7.474
23 H CYS 4 H CYS 4 -1.229 -7.839 5.871
24 HA CYS 4 HA CYS 4 -3.678 -9.312 5.202
25 1HB CYS 4 2HB CYS 4 -4.641 -7.137 5.361
26 2HB CYS 4 1HB CYS 4 -3.235 -6.379 4.609
27 H THR 5 H THR 5 -3.723 -9.700 2.760
28 HA THR 5 HA THR 5 -1.275 -9.150 1.266
29 HB THR 5 HB THR 5 -1.485 -12.025 1.487
30 HG1 THR 5 1HG THR 5 -1.064 -12.225 3.653
31 1HG2 THR 5 1HG2 THR 5 0.506 -9.880 1.606
32 2HG2 THR 5 2HG2 THR 5 0.646 -11.507 0.939
33 3HG2 THR 5 3HG2 THR 5 0.881 -11.239 2.666
34 HA PRO 6 HA PRO 6 -4.064 -11.862 -1.446
35 1HB PRO 6 2HB PRO 6 -6.238 -13.114 -0.359
36 2HB PRO 6 1HB PRO 6 -4.620 -13.842 -0.405
37 1HG PRO 6 2HG PRO 6 -6.048 -12.548 1.849
38 2HG PRO 6 1HG PRO 6 -4.937 -13.924 1.852
39 1HD PRO 6 2HD PRO 6 -4.261 -11.369 2.604
40 2HD PRO 6 1HD PRO 6 -3.105 -12.599 2.060
41 H GLY 7 H GLY 7 -4.433 -9.189 -1.030
42 1HA GLY 7 2HA GLY 7 -5.978 -7.407 -1.144
43 2HA GLY 7 1HA GLY 7 -6.774 -8.483 -2.294
44 H GLN 8 H GLN 8 -6.750 -7.370 1.043
45 HA GLN 8 HA GLN 8 -9.178 -8.969 1.659
46 1HB GLN 8 2HB GLN 8 -7.185 -7.303 3.187
47 2HB GLN 8 1HB GLN 8 -8.724 -7.752 3.930
48 1HG GLN 8 2HG GLN 8 -7.573 -10.059 2.645
49 2HG GLN 8 1HG GLN 8 -6.384 -9.338 3.730
50 1HE2 GLN 8 1HE2 GLN 8 -9.977 -9.660 3.941
51 2HE2 GLN 8 2HE2 GLN 8 -9.965 -10.391 5.472
52 H THR 9 H THR 9 -8.738 -6.319 -0.054
53 HA THR 9 HA THR 9 -10.106 -4.483 -0.582
54 HB THR 9 HB THR 9 -12.179 -5.574 1.281
55 HG1 THR 9 1HG THR 9 -11.553 -6.805 -1.181
56 1HG2 THR 9 1HG2 THR 9 -12.161 -4.574 -1.579
57 2HG2 THR 9 2HG2 THR 9 -12.767 -3.712 -0.165
58 3HG2 THR 9 3HG2 THR 9 -13.597 -5.158 -0.737
59 H LYS 10 H LYS 10 -10.436 -2.406 0.264
60 HA LYS 10 HA LYS 10 -10.396 -2.084 3.236
61 1HB LYS 10 2HB LYS 10 -8.135 -1.869 1.879
62 2HB LYS 10 1HB LYS 10 -8.783 -0.287 1.446
63 1HG LYS 10 2HG LYS 10 -7.587 0.176 3.412
64 2HG LYS 10 1HG LYS 10 -9.233 -0.044 4.007
65 1HD LYS 10 2HD LYS 10 -8.755 -2.336 4.649
66 2HD LYS 10 1HD LYS 10 -7.153 -2.245 3.918
67 1HE LYS 10 2HE LYS 10 -6.465 -0.541 5.540
68 2HE LYS 10 1HE LYS 10 -8.092 -0.530 6.246
69 1HZ LYS 10 1HZ LYS 10 -5.999 -2.531 6.468
70 2HZ LYS 10 2HZ LYS 10 -7.564 -3.142 6.221
71 3HZ LYS 10 3HZ LYS 10 -7.240 -2.140 7.554
72 H LYS 11 H LYS 11 -10.934 -0.606 0.045
73 HA LYS 11 HA LYS 11 -12.582 0.940 -0.644
74 1HB LYS 11 2HB LYS 11 -13.583 -0.535 1.574
75 2HB LYS 11 1HB LYS 11 -14.069 1.146 1.806
76 1HG LYS 11 2HG LYS 11 -14.450 0.600 -0.938
77 2HG LYS 11 1HG LYS 11 -15.105 -0.789 -0.069
78 1HD LYS 11 2HD LYS 11 -16.286 0.903 1.446
79 2HD LYS 11 1HD LYS 11 -15.855 2.122 0.246
80 1HE LYS 11 2HE LYS 11 -17.080 0.918 -1.491
81 2HE LYS 11 1HE LYS 11 -17.425 -0.408 -0.363
82 1HZ LYS 11 1HZ LYS 11 -18.428 2.364 -0.320
83 2HZ LYS 11 2HZ LYS 11 -18.316 1.482 1.128
84 3HZ LYS 11 3HZ LYS 11 -19.292 0.915 -0.142
85 H GLN 12 H GLN 12 -12.629 1.764 2.819
86 HA GLN 12 HA GLN 12 -12.254 3.870 3.843
87 1HB GLN 12 2HB GLN 12 -9.938 2.820 2.497
88 2HB GLN 12 1HB GLN 12 -9.897 4.581 2.409
89 1HG GLN 12 2HG GLN 12 -10.457 4.560 4.915
90 2HG GLN 12 1HG GLN 12 -10.045 2.845 4.877
91 1HE2 GLN 12 1HE2 GLN 12 -8.679 6.080 4.094
92 2HE2 GLN 12 2HE2 GLN 12 -7.064 5.627 4.351
93 H ASP 13 H ASP 13 -14.063 5.012 2.854
94 HA ASP 13 HA ASP 13 -15.012 6.761 1.576
95 1HB ASP 13 2HB ASP 13 -12.071 7.412 1.178
96 2HB ASP 13 1HB ASP 13 -13.421 8.541 1.027
97 H CYS 14 H CYS 14 -13.688 7.942 -0.793
98 HA CYS 14 HA CYS 14 -14.390 5.828 -2.738
99 1HB CYS 14 2HB CYS 14 -13.528 8.717 -3.071
100 2HB CYS 14 1HB CYS 14 -14.251 7.708 -4.320
101 H ASN 15 H ASN 15 -11.808 5.791 -1.083
102 HA ASN 15 HA ASN 15 -9.900 5.697 -3.399
103 1HB ASN 15 2HB ASN 15 -9.249 7.517 -2.031
104 2HB ASN 15 1HB ASN 15 -9.643 6.649 -0.544
105 1HD2 ASN 15 1HD2 ASN 15 -7.336 7.219 0.099
106 2HD2 ASN 15 2HD2 ASN 15 -6.069 6.225 -0.462
107 H THR 16 H THR 16 -9.853 3.478 -3.809
108 HA THR 16 HA THR 16 -9.986 1.470 -1.710
109 HB THR 16 HB THR 16 -8.944 1.155 -4.535
110 HG1 THR 16 1HG THR 16 -11.497 1.766 -3.585
111 1HG2 THR 16 1HG2 THR 16 -10.000 -0.594 -2.396
112 2HG2 THR 16 2HG2 THR 16 -8.878 -0.965 -3.704
113 3HG2 THR 16 3HG2 THR 16 -10.614 -0.931 -4.014
114 H CYS 17 H CYS 17 -8.271 0.644 -0.549
115 HA CYS 17 HA CYS 17 -5.596 1.787 -0.947
116 1HB CYS 17 2HB CYS 17 -7.173 0.629 1.126
117 2HB CYS 17 1HB CYS 17 -5.714 -0.350 0.971
118 H ASN 18 H ASN 18 -7.270 -1.186 -1.739
119 HA ASN 18 HA ASN 18 -6.513 -3.159 -2.809
120 1HB ASN 18 2HB ASN 18 -4.857 -0.864 -3.814
121 2HB ASN 18 1HB ASN 18 -4.462 -2.497 -4.353
122 1HD2 ASN 18 1HD2 ASN 18 -5.660 -0.256 -5.957
123 2HD2 ASN 18 2HD2 ASN 18 -7.131 -0.861 -6.551
124 H CYS 19 H CYS 19 -5.786 -4.331 -0.936
125 HA CYS 19 HA CYS 19 -3.456 -3.970 0.569
126 1HB CYS 19 2HB CYS 19 -5.389 -5.655 0.765
127 2HB CYS 19 1HB CYS 19 -4.486 -6.650 -0.376
128 H THR 20 H THR 20 -1.467 -5.489 0.445
129 HA THR 20 HA THR 20 -0.622 -5.890 -2.398
130 HB THR 20 HB THR 20 0.197 -3.870 -0.640
131 HG1 THR 20 1HG THR 20 0.744 -3.348 -2.575
132 1HG2 THR 20 1HG2 THR 20 2.582 -5.665 -0.999
133 2HG2 THR 20 2HG2 THR 20 1.569 -5.815 0.436
134 3HG2 THR 20 3HG2 THR 20 2.384 -4.291 0.083
135 HA PRO 21 HA PRO 21 0.894 -9.780 -1.060
136 1HB PRO 21 2HB PRO 21 3.393 -9.969 -2.166
137 2HB PRO 21 1HB PRO 21 1.899 -10.072 -3.117
138 1HG PRO 21 2HG PRO 21 3.750 -7.769 -2.748
139 2HG PRO 21 1HG PRO 21 2.895 -8.309 -4.202
140 1HD PRO 21 2HD PRO 21 2.072 -6.208 -2.680
141 2HD PRO 21 1HD PRO 21 0.963 -7.219 -3.629
142 H THR 22 H THR 22 1.177 -7.963 1.022
143 HA THR 22 HA THR 22 2.987 -9.118 2.812
144 HB THR 22 HB THR 22 4.824 -8.438 1.427
145 HG1 THR 22 1HG THR 22 5.849 -6.951 2.762
146 1HG2 THR 22 1HG2 THR 22 5.061 -6.118 0.604
147 2HG2 THR 22 2HG2 THR 22 3.508 -5.708 1.332
148 3HG2 THR 22 3HG2 THR 22 3.581 -6.861 0.001
149 H GLY 23 H GLY 23 0.385 -7.757 2.682
150 1HA GLY 23 2HA GLY 23 -0.874 -6.118 3.805
151 2HA GLY 23 1HA GLY 23 0.224 -6.484 5.137
152 H VAL 24 H VAL 24 -0.532 -4.238 2.605
153 HA VAL 24 HA VAL 24 1.054 -2.148 3.890
154 HB VAL 24 HB VAL 24 2.172 -3.844 1.842
155 1HG1 VAL 24 1HG1 VAL 24 1.235 -2.192 0.237
156 2HG1 VAL 24 2HG1 VAL 24 2.999 -2.145 0.272
157 3HG1 VAL 24 3HG1 VAL 24 2.067 -0.901 1.105
158 1HG2 VAL 24 1HG2 VAL 24 2.986 -1.844 3.819
159 2HG2 VAL 24 2HG2 VAL 24 3.997 -1.831 2.373
160 3HG2 VAL 24 3HG2 VAL 24 3.809 -3.317 3.305
161 H TRP 25 H TRP 25 -0.830 -3.231 1.084
162 HA TRP 25 HA TRP 25 -2.517 -2.128 -0.142
163 1HB TRP 25 2HB TRP 25 -2.394 -0.194 2.190
164 2HB TRP 25 1HB TRP 25 -3.771 -0.490 1.130
165 HD1 TRP 25 HD TRP 25 -1.752 -2.096 3.950
166 HE1 TRP 25 1HE TRP 25 -3.146 -4.003 4.982
167 HE3 TRP 25 3HE TRP 25 -5.667 -2.198 0.675
168 HZ2 TRP 25 2HZ TRP 25 -5.597 -5.388 4.484
169 HZ3 TRP 25 3HZ TRP 25 -7.515 -3.821 0.975
170 HH2 TRP 25 HH TRP 25 -7.485 -5.416 2.873
171 H ALA 26 H ALA 26 -3.039 0.171 -1.065
172 HA ALA 26 HA ALA 26 -0.506 1.722 -1.489
173 1HB ALA 26 1HB ALA 26 -2.542 0.627 -3.444
174 2HB ALA 26 2HB ALA 26 -0.802 0.338 -3.416
175 3HB ALA 26 3HB ALA 26 -1.426 1.920 -3.886
176 H CYS 27 H CYS 27 -4.028 1.762 -2.114
177 HA CYS 27 HA CYS 27 -5.612 3.478 -1.820
178 1HB CYS 27 2HB CYS 27 -3.516 3.774 0.212
179 2HB CYS 27 1HB CYS 27 -4.364 5.283 -0.126
180 H THR 28 H THR 28 -6.052 5.045 -3.310
181 HA THR 28 HA THR 28 -3.813 6.468 -4.629
182 HB THR 28 HB THR 28 -6.680 6.914 -5.322
183 HG1 THR 28 1HG THR 28 -7.055 4.859 -5.293
184 1HG2 THR 28 1HG2 THR 28 -5.528 7.702 -7.096
185 2HG2 THR 28 2HG2 THR 28 -5.257 6.014 -7.529
186 3HG2 THR 28 3HG2 THR 28 -4.047 6.889 -6.592
187 H ARG 29 H ARG 29 -5.016 7.062 -1.805
188 HA ARG 29 HA ARG 29 -5.400 9.007 -0.521
189 1HB ARG 29 2HB ARG 29 -4.359 10.361 -3.029
190 2HB ARG 29 1HB ARG 29 -4.289 10.985 -1.380
191 1HG ARG 29 2HG ARG 29 -2.978 8.381 -2.192
192 2HG ARG 29 1HG ARG 29 -2.135 9.930 -2.246
193 1HD ARG 29 2HD ARG 29 -1.599 9.486 -0.069
194 2HD ARG 29 1HD ARG 29 -3.274 9.954 0.282
195 HE ARG 29 HE ARG 29 -3.841 7.491 -0.133
196 1HH1 ARG 29 1HH2 ARG 29 -0.553 7.732 -0.418
197 2HH1 ARG 29 2HH2 ARG 29 -0.161 6.597 0.830
198 1HH2 ARG 29 1HH1 ARG 29 -3.411 6.375 2.017
199 2HH2 ARG 29 2HH1 ARG 29 -1.779 5.829 2.208
200 H LYS 30 H LYS 30 -6.965 10.766 -0.326
201 HA LYS 30 HA LYS 30 -9.166 11.577 -0.702
202 1HB LYS 30 2HB LYS 30 -7.717 12.997 -2.096
203 2HB LYS 30 1HB LYS 30 -7.835 11.840 -3.420
204 1HG LYS 30 2HG LYS 30 -9.429 13.587 -3.875
205 2HG LYS 30 1HG LYS 30 -10.348 12.174 -3.354
206 1HD LYS 30 2HD LYS 30 -11.286 13.474 -1.772
207 2HD LYS 30 1HD LYS 30 -9.709 13.529 -0.983
208 1HE LYS 30 2HE LYS 30 -9.998 15.386 -3.271
209 2HE LYS 30 1HE LYS 30 -11.018 15.758 -1.866
210 1HZ LYS 30 1HZ LYS 30 -8.693 16.665 -1.758
211 2HZ LYS 30 2HZ LYS 30 -8.144 15.062 -1.639
212 3HZ LYS 30 3HZ LYS 30 -9.155 15.707 -0.436
213 H GLY 31 H GLY 31 -9.093 10.639 -4.056
214 1HA GLY 31 2HA GLY 31 -9.915 8.551 -5.004
215 2HA GLY 31 1HA GLY 31 -10.709 8.211 -3.463
216 H CYS 32 H CYS 32 -12.097 10.570 -2.999
217 HA CYS 32 HA CYS 32 -14.168 10.399 -5.122
218 1HB CYS 32 2HB CYS 32 -14.080 10.611 -2.298
219 2HB CYS 32 1HB CYS 32 -14.794 12.117 -2.884
220 HA PRO 33 HA PRO 33 -12.426 14.316 -6.521
221 1HB PRO 33 2HB PRO 33 -13.594 14.230 -8.990
222 2HB PRO 33 1HB PRO 33 -12.109 13.343 -8.596
223 1HG PRO 33 2HG PRO 33 -14.896 12.356 -8.833
224 2HG PRO 33 1HG PRO 33 -13.374 11.559 -9.250
225 1HD PRO 33 2HD PRO 33 -14.838 11.053 -6.969
226 2HD PRO 33 1HD PRO 33 -13.105 10.711 -7.157
227 HA PRO 34 HA PRO 34 -15.965 16.823 -5.755
228 1HB PRO 34 2HB PRO 34 -15.206 19.141 -6.991
229 2HB PRO 34 1HB PRO 34 -14.488 18.581 -5.466
230 1HG PRO 34 2HG PRO 34 -13.415 18.428 -8.232
231 2HG PRO 34 1HG PRO 34 -12.568 18.710 -6.703
232 1HD PRO 34 2HD PRO 34 -12.610 16.304 -8.032
233 2HD PRO 34 1HD PRO 34 -12.322 16.483 -6.287
234 H HIS 35 H HIS 35 -14.841 16.324 -9.033
235 HA HIS 35 HA HIS 35 -17.111 17.548 -10.373
236 1HB HIS 35 2HB HIS 35 -14.974 17.298 -11.475
237 2HB HIS 35 1HB HIS 35 -14.961 15.562 -11.166
238 HD1 HIS 35 1HD HIS 35 -14.770 15.321 -13.837
239 HD2 HIS 35 2HD HIS 35 -18.375 16.865 -12.425
240 HE1 HIS 35 1HE HIS 35 -16.422 15.141 -15.747
Start of MODEL 5
1 1H GLU 1 1HT GLU 1 6.296 -9.507 11.639
2 2H GLU 1 2HT GLU 1 6.333 -7.850 12.016
3 3H GLU 1 3HT GLU 1 7.765 -8.765 12.051
4 HA GLU 1 HA GLU 1 7.218 -7.247 9.999
5 1HB GLU 1 2HB GLU 1 8.954 -9.230 10.679
6 2HB GLU 1 1HB GLU 1 8.163 -9.968 9.286
7 1HG GLU 1 2HG GLU 1 9.815 -8.792 8.186
8 2HG GLU 1 1HG GLU 1 8.573 -7.540 8.245
9 H GLN 2 H GLN 2 4.657 -7.547 10.088
10 HA GLN 2 HA GLN 2 3.859 -8.772 7.579
11 1HB GLN 2 2HB GLN 2 4.165 -10.551 9.604
12 2HB GLN 2 1HB GLN 2 2.491 -10.067 9.881
13 1HG GLN 2 2HG GLN 2 1.861 -11.437 8.212
14 2HG GLN 2 1HG GLN 2 2.767 -10.427 7.085
15 1HE2 GLN 2 1HE2 GLN 2 5.012 -11.078 6.588
16 2HE2 GLN 2 2HE2 GLN 2 5.539 -12.663 6.890
17 H GLU 3 H GLU 3 2.216 -7.443 6.894
18 HA GLU 3 HA GLU 3 0.531 -6.098 8.982
19 1HB GLU 3 2HB GLU 3 0.668 -5.095 6.173
20 2HB GLU 3 1HB GLU 3 0.620 -4.189 7.682
21 1HG GLU 3 2HG GLU 3 3.019 -5.671 6.561
22 2HG GLU 3 1HG GLU 3 2.813 -3.921 6.626
23 H CYS 4 H CYS 4 0.476 -7.696 5.804
24 HA CYS 4 HA CYS 4 -2.042 -8.974 6.236
25 1HB CYS 4 2HB CYS 4 -3.559 -7.544 5.094
26 2HB CYS 4 1HB CYS 4 -2.603 -6.439 6.080
27 H THR 5 H THR 5 -2.666 -10.248 4.392
28 HA THR 5 HA THR 5 -1.431 -9.964 1.795
29 HB THR 5 HB THR 5 -0.490 -12.461 3.112
30 HG1 THR 5 1HG THR 5 1.222 -10.354 3.460
31 1HG2 THR 5 1HG2 THR 5 1.594 -11.280 1.762
32 2HG2 THR 5 2HG2 THR 5 0.190 -10.698 0.868
33 3HG2 THR 5 3HG2 THR 5 0.455 -12.431 1.060
34 HA PRO 6 HA PRO 6 -4.906 -13.036 2.167
35 1HB PRO 6 2HB PRO 6 -7.130 -11.454 2.159
36 2HB PRO 6 1HB PRO 6 -6.279 -11.898 3.650
37 1HG PRO 6 2HG PRO 6 -6.434 -9.315 2.319
38 2HG PRO 6 1HG PRO 6 -5.896 -9.703 3.956
39 1HD PRO 6 2HD PRO 6 -4.298 -9.184 1.589
40 2HD PRO 6 1HD PRO 6 -3.781 -9.358 3.274
41 H GLY 7 H GLY 7 -5.802 -9.967 0.563
42 1HA GLY 7 2HA GLY 7 -5.334 -9.913 -1.962
43 2HA GLY 7 1HA GLY 7 -6.142 -11.487 -1.988
44 H GLN 8 H GLN 8 -7.024 -8.605 -0.093
45 HA GLN 8 HA GLN 8 -9.687 -8.650 -1.476
46 1HB GLN 8 2HB GLN 8 -9.075 -7.460 1.232
47 2HB GLN 8 1HB GLN 8 -10.627 -8.028 0.610
48 1HG GLN 8 2HG GLN 8 -8.774 -10.212 0.536
49 2HG GLN 8 1HG GLN 8 -8.710 -9.480 2.139
50 1HE2 GLN 8 1HE2 GLN 8 -9.824 -11.567 2.843
51 2HE2 GLN 8 2HE2 GLN 8 -11.510 -11.672 2.677
52 H THR 9 H THR 9 -10.275 -6.088 -0.025
53 HA THR 9 HA THR 9 -8.442 -4.143 -1.315
54 HB THR 9 HB THR 9 -10.232 -4.901 -2.947
55 HG1 THR 9 1HG THR 9 -9.607 -2.968 -3.525
56 1HG2 THR 9 1HG2 THR 9 -12.339 -3.283 -1.846
57 2HG2 THR 9 2HG2 THR 9 -11.866 -4.506 -0.667
58 3HG2 THR 9 3HG2 THR 9 -12.375 -4.991 -2.284
59 H LYS 10 H LYS 10 -10.599 -2.076 -1.000
60 HA LYS 10 HA LYS 10 -11.451 -2.040 1.769
61 1HB LYS 10 2HB LYS 10 -8.724 -1.389 1.132
62 2HB LYS 10 1HB LYS 10 -9.533 0.064 1.723
63 1HG LYS 10 2HG LYS 10 -10.248 -1.078 3.734
64 2HG LYS 10 1HG LYS 10 -9.646 -2.618 3.123
65 1HD LYS 10 2HD LYS 10 -7.354 -1.376 2.961
66 2HD LYS 10 1HD LYS 10 -8.086 -0.233 4.088
67 1HE LYS 10 2HE LYS 10 -8.501 -3.055 4.840
68 2HE LYS 10 1HE LYS 10 -6.803 -2.541 4.860
69 1HZ LYS 10 1HZ LYS 10 -7.783 -1.953 6.949
70 2HZ LYS 10 2HZ LYS 10 -9.093 -1.185 6.183
71 3HZ LYS 10 3HZ LYS 10 -7.530 -0.525 6.069
72 H LYS 11 H LYS 11 -13.390 -1.100 1.072
73 HA LYS 11 HA LYS 11 -13.609 0.983 -0.886
74 1HB LYS 11 2HB LYS 11 -15.248 -0.634 0.778
75 2HB LYS 11 1HB LYS 11 -15.719 1.041 1.072
76 1HG LYS 11 2HG LYS 11 -15.695 1.282 -1.511
77 2HG LYS 11 1HG LYS 11 -15.730 -0.482 -1.531
78 1HD LYS 11 2HD LYS 11 -17.774 -0.455 -0.141
79 2HD LYS 11 1HD LYS 11 -17.746 1.309 -0.144
80 1HE LYS 11 2HE LYS 11 -18.442 1.452 -2.346
81 2HE LYS 11 1HE LYS 11 -17.656 -0.074 -2.799
82 1HZ LYS 11 1HZ LYS 11 -19.840 -0.729 -2.670
83 2HZ LYS 11 2HZ LYS 11 -20.217 0.358 -1.419
84 3HZ LYS 11 3HZ LYS 11 -19.329 -1.053 -1.086
85 H GLN 12 H GLN 12 -13.780 1.146 2.700
86 HA GLN 12 HA GLN 12 -13.607 3.047 4.121
87 1HB GLN 12 2HB GLN 12 -11.299 2.448 2.770
88 2HB GLN 12 1HB GLN 12 -11.508 4.147 2.350
89 1HG GLN 12 2HG GLN 12 -12.060 4.238 5.008
90 2HG GLN 12 1HG GLN 12 -10.892 2.915 4.972
91 1HE2 GLN 12 1HE2 GLN 12 -10.748 5.955 5.775
92 2HE2 GLN 12 2HE2 GLN 12 -9.333 6.480 5.000
93 H ASP 13 H ASP 13 -12.534 5.647 3.114
94 HA ASP 13 HA ASP 13 -14.998 6.948 2.446
95 1HB ASP 13 2HB ASP 13 -12.617 7.716 3.394
96 2HB ASP 13 1HB ASP 13 -12.335 8.097 1.692
97 H CYS 14 H CYS 14 -13.405 8.499 0.215
98 HA CYS 14 HA CYS 14 -14.547 6.936 -2.018
99 1HB CYS 14 2HB CYS 14 -13.451 9.680 -1.520
100 2HB CYS 14 1HB CYS 14 -13.522 9.097 -3.182
101 H ASN 15 H ASN 15 -11.933 6.263 -0.430
102 HA ASN 15 HA ASN 15 -10.145 6.084 -2.831
103 1HB ASN 15 2HB ASN 15 -9.429 6.188 0.117
104 2HB ASN 15 1HB ASN 15 -8.300 6.261 -1.240
105 1HD2 ASN 15 1HD2 ASN 15 -8.783 8.163 -2.839
106 2HD2 ASN 15 2HD2 ASN 15 -9.270 9.639 -2.135
107 H THR 16 H THR 16 -9.961 3.990 -3.533
108 HA THR 16 HA THR 16 -10.627 1.759 -1.688
109 HB THR 16 HB THR 16 -9.864 1.401 -4.558
110 HG1 THR 16 1HG THR 16 -11.556 2.466 -5.291
111 1HG2 THR 16 1HG2 THR 16 -11.503 0.104 -2.503
112 2HG2 THR 16 2HG2 THR 16 -10.761 -0.584 -3.948
113 3HG2 THR 16 3HG2 THR 16 -12.320 0.233 -4.061
114 H CYS 17 H CYS 17 -9.055 0.350 -0.913
115 HA CYS 17 HA CYS 17 -6.252 0.774 -1.904
116 1HB CYS 17 2HB CYS 17 -7.290 -0.152 0.795
117 2HB CYS 17 1HB CYS 17 -5.603 0.166 0.389
118 H ASN 18 H ASN 18 -4.939 -1.379 -1.082
119 HA ASN 18 HA ASN 18 -6.436 -3.877 -1.432
120 1HB ASN 18 2HB ASN 18 -6.397 -3.232 -3.720
121 2HB ASN 18 1HB ASN 18 -4.744 -2.629 -3.603
122 1HD2 ASN 18 1HD2 ASN 18 -6.569 -5.287 -4.619
123 2HD2 ASN 18 2HD2 ASN 18 -5.331 -6.447 -4.646
124 H CYS 19 H CYS 19 -5.376 -5.201 -0.012
125 HA CYS 19 HA CYS 19 -2.822 -4.743 1.131
126 1HB CYS 19 2HB CYS 19 -4.570 -6.207 2.058
127 2HB CYS 19 1HB CYS 19 -4.386 -7.310 0.699
128 H THR 20 H THR 20 -0.849 -6.213 0.842
129 HA THR 20 HA THR 20 -0.573 -7.156 -1.999
130 HB THR 20 HB THR 20 1.903 -6.097 -1.175
131 HG1 THR 20 1HG THR 20 0.963 -4.954 0.462
132 1HG2 THR 20 1HG2 THR 20 1.219 -5.909 -3.431
133 2HG2 THR 20 2HG2 THR 20 1.197 -4.251 -2.833
134 3HG2 THR 20 3HG2 THR 20 -0.311 -5.152 -2.991
135 HA PRO 21 HA PRO 21 1.628 -10.574 -0.329
136 1HB PRO 21 2HB PRO 21 3.889 -10.788 -1.849
137 2HB PRO 21 1HB PRO 21 2.271 -11.174 -2.468
138 1HG PRO 21 2HG PRO 21 3.933 -8.752 -2.896
139 2HG PRO 21 1HG PRO 21 2.831 -9.579 -4.007
140 1HD PRO 21 2HD PRO 21 2.225 -7.265 -2.648
141 2HD PRO 21 1HD PRO 21 1.018 -8.411 -3.271
142 H THR 22 H THR 22 2.041 -8.440 1.324
143 HA THR 22 HA THR 22 4.356 -9.029 2.811
144 HB THR 22 HB THR 22 5.758 -8.351 1.032
145 HG1 THR 22 1HG THR 22 6.814 -6.869 2.074
146 1HG2 THR 22 1HG2 THR 22 3.519 -6.506 0.470
147 2HG2 THR 22 2HG2 THR 22 4.592 -7.347 -0.647
148 3HG2 THR 22 3HG2 THR 22 5.123 -5.857 0.130
149 H GLY 23 H GLY 23 1.542 -7.946 2.957
150 1HA GLY 23 2HA GLY 23 0.329 -6.484 4.307
151 2HA GLY 23 1HA GLY 23 1.796 -6.339 5.259
152 H VAL 24 H VAL 24 0.253 -5.071 2.307
153 HA VAL 24 HA VAL 24 1.163 -2.363 3.034
154 HB VAL 24 HB VAL 24 1.877 -3.156 0.258
155 1HG1 VAL 24 1HG1 VAL 24 3.530 -1.508 0.520
156 2HG1 VAL 24 2HG1 VAL 24 3.558 -1.686 2.275
157 3HG1 VAL 24 3HG1 VAL 24 2.191 -0.894 1.491
158 1HG2 VAL 24 1HG2 VAL 24 2.696 -5.097 1.615
159 2HG2 VAL 24 2HG2 VAL 24 3.612 -3.968 2.613
160 3HG2 VAL 24 3HG2 VAL 24 4.009 -4.158 0.906
161 H TRP 25 H TRP 25 0.024 -0.732 1.784
162 HA TRP 25 HA TRP 25 -2.162 -1.775 0.021
163 1HB TRP 25 2HB TRP 25 -2.339 0.135 2.373
164 2HB TRP 25 1HB TRP 25 -3.651 -0.112 1.221
165 HD1 TRP 25 HD TRP 25 -1.552 -2.066 3.795
166 HE1 TRP 25 1HE TRP 25 -2.948 -4.059 4.635
167 HE3 TRP 25 3HE TRP 25 -5.630 -1.653 0.740
168 HZ2 TRP 25 2HZ TRP 25 -5.452 -5.326 4.079
169 HZ3 TRP 25 3HZ TRP 25 -7.498 -3.271 0.911
170 HH2 TRP 25 HH TRP 25 -7.416 -5.112 2.574
171 H ALA 26 H ALA 26 -2.954 -0.135 -1.500
172 HA ALA 26 HA ALA 26 -0.871 1.896 -2.147
173 1HB ALA 26 1HB ALA 26 -1.908 1.836 -4.346
174 2HB ALA 26 2HB ALA 26 -3.282 0.930 -3.712
175 3HB ALA 26 3HB ALA 26 -1.689 0.176 -3.791
176 H CYS 27 H CYS 27 -4.444 1.678 -2.000
177 HA CYS 27 HA CYS 27 -6.050 3.335 -1.525
178 1HB CYS 27 2HB CYS 27 -3.602 4.389 -0.075
179 2HB CYS 27 1HB CYS 27 -5.228 5.032 0.148
180 H THR 28 H THR 28 -6.577 4.418 -3.412
181 HA THR 28 HA THR 28 -4.903 5.882 -5.121
182 HB THR 28 HB THR 28 -7.681 6.854 -4.598
183 HG1 THR 28 1HG THR 28 -8.366 4.886 -4.458
184 1HG2 THR 28 1HG2 THR 28 -5.921 6.202 -6.937
185 2HG2 THR 28 2HG2 THR 28 -6.841 7.670 -6.607
186 3HG2 THR 28 3HG2 THR 28 -7.671 6.213 -7.154
187 H ARG 29 H ARG 29 -7.043 7.304 -2.606
188 HA ARG 29 HA ARG 29 -6.808 9.307 -1.369
189 1HB ARG 29 2HB ARG 29 -4.677 7.982 -0.866
190 2HB ARG 29 1HB ARG 29 -3.879 8.990 -2.075
191 1HG ARG 29 2HG ARG 29 -3.883 10.833 -0.731
192 2HG ARG 29 1HG ARG 29 -5.473 10.463 -0.062
193 1HD ARG 29 2HD ARG 29 -4.295 8.524 1.188
194 2HD ARG 29 1HD ARG 29 -2.786 9.367 0.785
195 HE ARG 29 HE ARG 29 -3.990 11.433 1.820
196 1HH1 ARG 29 1HH2 ARG 29 -6.117 9.117 2.487
197 2HH1 ARG 29 2HH2 ARG 29 -5.895 9.064 4.204
198 1HH2 ARG 29 1HH1 ARG 29 -2.992 10.960 4.150
199 2HH2 ARG 29 2HH1 ARG 29 -4.126 10.110 5.147
200 H LYS 30 H LYS 30 -7.732 10.964 -2.585
201 HA LYS 30 HA LYS 30 -6.033 12.836 -3.966
202 1HB LYS 30 2HB LYS 30 -7.137 12.320 -6.255
203 2HB LYS 30 1HB LYS 30 -5.870 11.228 -5.699
204 1HG LYS 30 2HG LYS 30 -7.555 9.663 -4.846
205 2HG LYS 30 1HG LYS 30 -8.844 10.768 -5.323
206 1HD LYS 30 2HD LYS 30 -6.852 9.492 -7.221
207 2HD LYS 30 1HD LYS 30 -8.523 8.970 -6.998
208 1HE LYS 30 2HE LYS 30 -9.107 10.475 -8.593
209 2HE LYS 30 1HE LYS 30 -8.651 11.759 -7.456
210 1HZ LYS 30 1HZ LYS 30 -6.556 11.923 -8.323
211 2HZ LYS 30 2HZ LYS 30 -7.408 11.505 -9.733
212 3HZ LYS 30 3HZ LYS 30 -6.530 10.323 -8.885
213 H GLY 31 H GLY 31 -9.324 11.510 -3.649
214 1HA GLY 31 2HA GLY 31 -10.454 13.967 -2.754
215 2HA GLY 31 1HA GLY 31 -10.749 13.829 -4.491
216 H CYS 32 H CYS 32 -13.060 13.732 -3.785
217 HA CYS 32 HA CYS 32 -13.918 10.921 -3.531
218 1HB CYS 32 2HB CYS 32 -13.536 11.569 -1.213
219 2HB CYS 32 1HB CYS 32 -14.460 13.058 -1.445
220 HA PRO 33 HA PRO 33 -16.785 13.197 -6.161
221 1HB PRO 33 2HB PRO 33 -17.770 10.974 -7.417
222 2HB PRO 33 1HB PRO 33 -16.236 11.742 -7.872
223 1HG PRO 33 2HG PRO 33 -16.721 9.301 -6.249
224 2HG PRO 33 1HG PRO 33 -15.434 9.648 -7.412
225 1HD PRO 33 2HD PRO 33 -15.120 9.764 -4.690
226 2HD PRO 33 1HD PRO 33 -14.123 10.672 -5.848
227 HA PRO 34 HA PRO 34 -20.567 12.549 -4.030
228 1HB PRO 34 2HB PRO 34 -22.462 12.808 -5.985
229 2HB PRO 34 1HB PRO 34 -21.516 14.177 -5.370
230 1HG PRO 34 2HG PRO 34 -21.190 12.630 -7.883
231 2HG PRO 34 1HG PRO 34 -20.942 14.355 -7.576
232 1HD PRO 34 2HD PRO 34 -18.918 12.502 -7.768
233 2HD PRO 34 1HD PRO 34 -18.786 14.051 -6.907
234 H HIS 35 H HIS 35 -19.713 10.386 -6.572
235 HA HIS 35 HA HIS 35 -21.919 8.595 -6.638
236 1HB HIS 35 2HB HIS 35 -19.950 8.618 -8.158
237 2HB HIS 35 1HB HIS 35 -18.940 8.038 -6.834
238 HD1 HIS 35 1HD HIS 35 -22.431 6.857 -7.777
239 HD2 HIS 35 2HD HIS 35 -18.537 5.385 -7.570
240 HE1 HIS 35 1HE HIS 35 -22.580 4.374 -8.249
Start of MODEL 6
1 1H GLU 1 1HT GLU 1 6.207 -4.711 6.268
2 2H GLU 1 2HT GLU 1 6.722 -5.862 7.407
3 3H GLU 1 3HT GLU 1 6.955 -4.205 7.702
4 HA GLU 1 HA GLU 1 5.101 -4.572 8.989
5 1HB GLU 1 2HB GLU 1 4.917 -3.164 6.619
6 2HB GLU 1 1HB GLU 1 3.495 -4.206 6.549
7 1HG GLU 1 2HG GLU 1 2.765 -2.254 7.691
8 2HG GLU 1 1HG GLU 1 3.026 -3.450 8.961
9 H GLN 2 H GLN 2 2.879 -5.654 9.145
10 HA GLN 2 HA GLN 2 2.525 -8.066 7.473
11 1HB GLN 2 2HB GLN 2 4.153 -8.662 9.260
12 2HB GLN 2 1HB GLN 2 2.976 -8.159 10.475
13 1HG GLN 2 2HG GLN 2 1.419 -9.839 9.075
14 2HG GLN 2 1HG GLN 2 2.984 -10.576 8.731
15 1HE2 GLN 2 1HE2 GLN 2 0.737 -11.555 10.523
16 2HE2 GLN 2 2HE2 GLN 2 1.461 -11.791 12.039
17 H GLU 3 H GLU 3 0.344 -8.208 7.124
18 HA GLU 3 HA GLU 3 -1.618 -8.016 9.211
19 1HB GLU 3 2HB GLU 3 -2.575 -5.794 8.368
20 2HB GLU 3 1HB GLU 3 -1.061 -5.689 9.267
21 1HG GLU 3 2HG GLU 3 0.127 -5.815 7.004
22 2HG GLU 3 1HG GLU 3 -1.455 -5.539 6.274
23 H CYS 4 H CYS 4 -0.842 -7.749 5.782
24 HA CYS 4 HA CYS 4 -3.198 -9.424 5.119
25 1HB CYS 4 2HB CYS 4 -3.951 -7.066 5.063
26 2HB CYS 4 1HB CYS 4 -2.632 -6.671 3.960
27 H THR 5 H THR 5 -3.058 -10.012 2.693
28 HA THR 5 HA THR 5 -0.436 -9.722 1.437
29 HB THR 5 HB THR 5 -0.879 -12.546 1.802
30 HG1 THR 5 1HG THR 5 -1.921 -11.859 3.711
31 1HG2 THR 5 1HG2 THR 5 1.317 -12.061 1.374
32 2HG2 THR 5 2HG2 THR 5 1.399 -11.989 3.133
33 3HG2 THR 5 3HG2 THR 5 1.236 -10.503 2.197
34 HA PRO 6 HA PRO 6 -3.162 -12.358 -1.410
35 1HB PRO 6 2HB PRO 6 -5.491 -13.436 -0.483
36 2HB PRO 6 1HB PRO 6 -3.921 -14.246 -0.330
37 1HG PRO 6 2HG PRO 6 -5.500 -12.787 1.704
38 2HG PRO 6 1HG PRO 6 -4.435 -14.186 1.887
39 1HD PRO 6 2HD PRO 6 -3.784 -11.581 2.541
40 2HD PRO 6 1HD PRO 6 -2.619 -12.888 2.267
41 H GLY 7 H GLY 7 -3.742 -9.538 -0.299
42 1HA GLY 7 2HA GLY 7 -5.144 -7.770 -0.907
43 2HA GLY 7 1HA GLY 7 -5.758 -8.815 -2.187
44 H GLN 8 H GLN 8 -6.357 -7.562 0.998
45 HA GLN 8 HA GLN 8 -8.716 -9.309 1.402
46 1HB GLN 8 2HB GLN 8 -7.143 -7.296 2.977
47 2HB GLN 8 1HB GLN 8 -8.789 -7.677 3.490
48 1HG GLN 8 2HG GLN 8 -7.488 -10.141 2.895
49 2HG GLN 8 1HG GLN 8 -6.400 -9.202 3.917
50 1HE2 GLN 8 1HE2 GLN 8 -10.003 -9.516 3.832
51 2HE2 GLN 8 2HE2 GLN 8 -10.149 -9.901 5.479
52 H THR 9 H THR 9 -7.995 -6.457 -0.179
53 HA THR 9 HA THR 9 -9.299 -4.710 -1.006
54 HB THR 9 HB THR 9 -11.356 -5.479 -1.930
55 HG1 THR 9 1HG THR 9 -12.193 -7.536 -1.004
56 1HG2 THR 9 1HG2 THR 9 -10.405 -7.094 -3.180
57 2HG2 THR 9 2HG2 THR 9 -10.275 -8.182 -1.798
58 3HG2 THR 9 3HG2 THR 9 -9.018 -6.981 -2.096
59 H LYS 10 H LYS 10 -9.518 -3.025 0.439
60 HA LYS 10 HA LYS 10 -11.232 -3.318 2.837
61 1HB LYS 10 2HB LYS 10 -9.533 -1.058 1.722
62 2HB LYS 10 1HB LYS 10 -10.306 -1.047 3.307
63 1HG LYS 10 2HG LYS 10 -8.828 -3.494 2.987
64 2HG LYS 10 1HG LYS 10 -7.774 -2.124 2.635
65 1HD LYS 10 2HD LYS 10 -8.050 -1.193 4.766
66 2HD LYS 10 1HD LYS 10 -9.558 -2.063 5.057
67 1HE LYS 10 2HE LYS 10 -8.317 -3.579 6.208
68 2HE LYS 10 1HE LYS 10 -7.639 -4.078 4.644
69 1HZ LYS 10 1HZ LYS 10 -5.756 -3.380 5.735
70 2HZ LYS 10 2HZ LYS 10 -6.567 -2.167 6.605
71 3HZ LYS 10 3HZ LYS 10 -6.216 -1.943 4.958
72 H LYS 11 H LYS 11 -12.479 -0.980 3.158
73 HA LYS 11 HA LYS 11 -14.134 -0.638 0.680
74 1HB LYS 11 2HB LYS 11 -16.030 -0.569 2.064
75 2HB LYS 11 1HB LYS 11 -15.018 -1.760 2.877
76 1HG LYS 11 2HG LYS 11 -14.238 -0.092 4.465
77 2HG LYS 11 1HG LYS 11 -15.097 1.183 3.599
78 1HD LYS 11 2HD LYS 11 -17.229 -0.173 4.013
79 2HD LYS 11 1HD LYS 11 -16.277 -1.126 5.152
80 1HE LYS 11 2HE LYS 11 -16.342 1.891 5.341
81 2HE LYS 11 1HE LYS 11 -17.586 0.892 6.119
82 1HZ LYS 11 1HZ LYS 11 -16.117 0.574 7.750
83 2HZ LYS 11 2HZ LYS 11 -14.845 1.261 6.858
84 3HZ LYS 11 3HZ LYS 11 -15.227 -0.385 6.670
85 H GLN 12 H GLN 12 -12.667 0.975 3.478
86 HA GLN 12 HA GLN 12 -12.396 3.298 3.938
87 1HB GLN 12 2HB GLN 12 -10.811 2.312 2.018
88 2HB GLN 12 1HB GLN 12 -11.656 3.523 1.051
89 1HG GLN 12 2HG GLN 12 -9.825 4.725 1.899
90 2HG GLN 12 1HG GLN 12 -11.119 5.135 3.025
91 1HE2 GLN 12 1HE2 GLN 12 -8.839 2.339 2.706
92 2HE2 GLN 12 2HE2 GLN 12 -8.364 2.360 4.336
93 H ASP 13 H ASP 13 -12.497 5.246 1.606
94 HA ASP 13 HA ASP 13 -15.478 5.459 1.361
95 1HB ASP 13 2HB ASP 13 -14.884 8.009 1.508
96 2HB ASP 13 1HB ASP 13 -14.913 7.054 2.992
97 H CYS 14 H CYS 14 -13.489 7.987 0.080
98 HA CYS 14 HA CYS 14 -14.350 7.346 -2.646
99 1HB CYS 14 2HB CYS 14 -12.430 9.480 -1.681
100 2HB CYS 14 1HB CYS 14 -13.434 9.514 -3.129
101 H ASN 15 H ASN 15 -11.793 6.285 -0.745
102 HA ASN 15 HA ASN 15 -10.141 5.737 -3.186
103 1HB ASN 15 2HB ASN 15 -9.142 6.351 -0.387
104 2HB ASN 15 1HB ASN 15 -8.166 6.200 -1.853
105 1HD2 ASN 15 1HD2 ASN 15 -9.057 8.557 0.130
106 2HD2 ASN 15 2HD2 ASN 15 -9.393 9.819 -0.968
107 H THR 16 H THR 16 -10.062 3.550 -3.490
108 HA THR 16 HA THR 16 -10.713 1.686 -1.308
109 HB THR 16 HB THR 16 -9.787 1.181 -4.156
110 HG1 THR 16 1HG THR 16 -12.409 1.497 -3.122
111 1HG2 THR 16 1HG2 THR 16 -9.789 -0.756 -2.565
112 2HG2 THR 16 2HG2 THR 16 -10.924 -0.947 -3.902
113 3HG2 THR 16 3HG2 THR 16 -11.512 -0.485 -2.305
114 H CYS 17 H CYS 17 -9.209 0.315 -0.280
115 HA CYS 17 HA CYS 17 -6.341 0.998 -0.718
116 1HB CYS 17 2HB CYS 17 -8.095 0.138 1.491
117 2HB CYS 17 1HB CYS 17 -6.513 -0.642 1.484
118 H ASN 18 H ASN 18 -5.207 -0.377 -2.017
119 HA ASN 18 HA ASN 18 -6.183 -3.146 -2.453
120 1HB ASN 18 2HB ASN 18 -4.167 -1.286 -3.716
121 2HB ASN 18 1HB ASN 18 -4.211 -2.997 -4.141
122 1HD2 ASN 18 1HD2 ASN 18 -6.669 -3.757 -4.574
123 2HD2 ASN 18 2HD2 ASN 18 -7.555 -2.719 -5.583
124 H CYS 19 H CYS 19 -5.242 -4.856 -1.405
125 HA CYS 19 HA CYS 19 -2.830 -4.353 0.256
126 1HB CYS 19 2HB CYS 19 -4.543 -5.331 1.492
127 2HB CYS 19 1HB CYS 19 -5.120 -6.287 0.136
128 H THR 20 H THR 20 -0.872 -5.355 -0.180
129 HA THR 20 HA THR 20 -0.701 -6.945 -2.709
130 HB THR 20 HB THR 20 1.823 -6.175 -1.541
131 HG1 THR 20 1HG THR 20 1.125 -3.811 -1.894
132 1HG2 THR 20 1HG2 THR 20 0.432 -4.861 -3.871
133 2HG2 THR 20 2HG2 THR 20 1.061 -6.503 -3.987
134 3HG2 THR 20 3HG2 THR 20 2.156 -5.163 -3.652
135 HA PRO 21 HA PRO 21 0.801 -10.513 -0.580
136 1HB PRO 21 2HB PRO 21 3.306 -11.067 -1.523
137 2HB PRO 21 1HB PRO 21 1.837 -11.299 -2.491
138 1HG PRO 21 2HG PRO 21 3.845 -9.116 -2.588
139 2HG PRO 21 1HG PRO 21 2.922 -9.864 -3.900
140 1HD PRO 21 2HD PRO 21 2.339 -7.429 -2.771
141 2HD PRO 21 1HD PRO 21 1.165 -8.441 -3.636
142 H THR 22 H THR 22 1.209 -8.184 0.969
143 HA THR 22 HA THR 22 3.003 -9.049 3.003
144 HB THR 22 HB THR 22 4.691 -8.519 1.273
145 HG1 THR 22 1HG THR 22 5.365 -8.067 3.315
146 1HG2 THR 22 1HG2 THR 22 2.922 -6.514 0.560
147 2HG2 THR 22 2HG2 THR 22 4.567 -6.692 -0.051
148 3HG2 THR 22 3HG2 THR 22 4.244 -5.627 1.317
149 H GLY 23 H GLY 23 0.348 -7.739 2.485
150 1HA GLY 23 2HA GLY 23 -0.997 -6.057 3.393
151 2HA GLY 23 1HA GLY 23 0.142 -6.079 4.739
152 H VAL 24 H VAL 24 0.091 -3.822 5.008
153 HA VAL 24 HA VAL 24 1.152 -1.717 4.748
154 HB VAL 24 HB VAL 24 2.056 -2.670 2.021
155 1HG1 VAL 24 1HG1 VAL 24 3.071 -0.672 4.053
156 2HG1 VAL 24 2HG1 VAL 24 2.463 -0.338 2.431
157 3HG1 VAL 24 3HG1 VAL 24 4.000 -1.177 2.641
158 1HG2 VAL 24 1HG2 VAL 24 2.579 -4.086 4.331
159 2HG2 VAL 24 2HG2 VAL 24 3.930 -2.959 4.284
160 3HG2 VAL 24 3HG2 VAL 24 3.640 -4.042 2.924
161 H TRP 25 H TRP 25 -0.733 -3.118 2.094
162 HA TRP 25 HA TRP 25 -2.262 -2.099 0.601
163 1HB TRP 25 2HB TRP 25 -2.550 -0.399 3.101
164 2HB TRP 25 1HB TRP 25 -3.749 -0.529 1.815
165 HD1 TRP 25 HD TRP 25 -2.128 -2.552 4.625
166 HE1 TRP 25 1HE TRP 25 -3.620 -4.590 5.142
167 HE3 TRP 25 3HE TRP 25 -5.543 -2.129 0.849
168 HZ2 TRP 25 2HZ TRP 25 -5.952 -5.871 4.094
169 HZ3 TRP 25 3HZ TRP 25 -7.388 -3.772 0.631
170 HH2 TRP 25 HH TRP 25 -7.596 -5.639 2.249
171 H ALA 26 H ALA 26 -3.037 0.410 0.062
172 HA ALA 26 HA ALA 26 -0.731 2.260 -0.017
173 1HB ALA 26 1HB ALA 26 -0.469 0.553 -1.870
174 2HB ALA 26 2HB ALA 26 -0.594 2.218 -2.442
175 3HB ALA 26 3HB ALA 26 -1.988 1.143 -2.543
176 H CYS 27 H CYS 27 -3.845 1.604 -1.659
177 HA CYS 27 HA CYS 27 -5.765 2.951 -1.886
178 1HB CYS 27 2HB CYS 27 -4.487 3.565 0.655
179 2HB CYS 27 1HB CYS 27 -5.342 4.969 0.017
180 H THR 28 H THR 28 -5.942 4.303 -3.625
181 HA THR 28 HA THR 28 -3.780 6.134 -4.359
182 HB THR 28 HB THR 28 -5.861 6.677 -6.033
183 HG1 THR 28 1HG THR 28 -7.098 4.843 -6.222
184 1HG2 THR 28 1HG2 THR 28 -3.724 4.607 -5.948
185 2HG2 THR 28 2HG2 THR 28 -3.997 5.895 -7.121
186 3HG2 THR 28 3HG2 THR 28 -4.965 4.422 -7.189
187 H ARG 29 H ARG 29 -4.810 8.435 -5.178
188 HA ARG 29 HA ARG 29 -6.720 9.538 -3.215
189 1HB ARG 29 2HB ARG 29 -5.031 11.192 -2.417
190 2HB ARG 29 1HB ARG 29 -4.571 9.535 -2.030
191 1HG ARG 29 2HG ARG 29 -3.562 10.108 -4.630
192 2HG ARG 29 1HG ARG 29 -3.128 11.461 -3.586
193 1HD ARG 29 2HD ARG 29 -2.576 8.526 -3.010
194 2HD ARG 29 1HD ARG 29 -1.372 9.758 -3.441
195 HE ARG 29 HE ARG 29 -2.816 10.795 -1.255
196 1HH1 ARG 29 1HH1 ARG 29 0.068 9.336 -1.929
197 2HH1 ARG 29 2HH1 ARG 29 0.316 8.642 -0.361
198 1HH2 ARG 29 1HH2 ARG 29 -2.887 9.366 0.754
199 2HH2 ARG 29 2HH2 ARG 29 -1.359 8.656 1.157
200 H LYS 30 H LYS 30 -8.026 10.354 -4.871
201 HA LYS 30 HA LYS 30 -6.733 12.330 -6.722
202 1HB LYS 30 2HB LYS 30 -8.490 10.002 -7.135
203 2HB LYS 30 1HB LYS 30 -9.020 11.453 -7.986
204 1HG LYS 30 2HG LYS 30 -7.158 11.510 -9.338
205 2HG LYS 30 1HG LYS 30 -6.116 10.790 -8.111
206 1HD LYS 30 2HD LYS 30 -6.443 9.179 -9.910
207 2HD LYS 30 1HD LYS 30 -7.286 8.607 -8.469
208 1HE LYS 30 2HE LYS 30 -8.866 8.316 -10.230
209 2HE LYS 30 1HE LYS 30 -9.361 9.837 -9.458
210 1HZ LYS 30 1HZ LYS 30 -9.102 9.973 -11.927
211 2HZ LYS 30 2HZ LYS 30 -7.439 9.696 -11.715
212 3HZ LYS 30 3HZ LYS 30 -8.162 11.087 -11.061
213 H GLY 31 H GLY 31 -9.170 11.734 -4.352
214 1HA GLY 31 2HA GLY 31 -9.918 14.212 -3.648
215 2HA GLY 31 1HA GLY 31 -10.792 14.068 -5.177
216 H CYS 32 H CYS 32 -11.847 14.264 -2.394
217 HA CYS 32 HA CYS 32 -13.668 11.913 -2.550
218 1HB CYS 32 2HB CYS 32 -11.767 11.328 -1.073
219 2HB CYS 32 1HB CYS 32 -12.093 12.764 -0.097
220 HA PRO 33 HA PRO 33 -16.137 15.600 -1.718
221 1HB PRO 33 2HB PRO 33 -18.485 14.500 -2.584
222 2HB PRO 33 1HB PRO 33 -17.274 15.182 -3.686
223 1HG PRO 33 2HG PRO 33 -17.828 12.340 -3.004
224 2HG PRO 33 1HG PRO 33 -17.371 13.062 -4.554
225 1HD PRO 33 2HD PRO 33 -15.630 11.722 -2.922
226 2HD PRO 33 1HD PRO 33 -15.137 12.978 -4.080
227 HA PRO 34 HA PRO 34 -17.983 14.455 2.104
228 1HB PRO 34 2HB PRO 34 -20.167 16.098 2.215
229 2HB PRO 34 1HB PRO 34 -18.505 16.688 2.410
230 1HG PRO 34 2HG PRO 34 -20.288 16.812 0.034
231 2HG PRO 34 1HG PRO 34 -19.127 18.003 0.639
232 1HD PRO 34 2HD PRO 34 -18.639 16.332 -1.474
233 2HD PRO 34 1HD PRO 34 -17.369 17.028 -0.444
234 H HIS 35 H HIS 35 -18.568 12.346 0.716
235 HA HIS 35 HA HIS 35 -20.166 10.639 0.356
236 1HB HIS 35 2HB HIS 35 -21.937 12.442 2.031
237 2HB HIS 35 1HB HIS 35 -22.006 10.684 1.906
238 HD1 HIS 35 1HD HIS 35 -21.398 12.504 4.550
239 HD2 HIS 35 2HD HIS 35 -18.666 10.256 2.344
240 HE1 HIS 35 1HE HIS 35 -19.458 12.009 6.102
Start of MODEL 7
1 1H GLU 1 1HT GLU 1 1.176 -8.293 14.333
2 2H GLU 1 2HT GLU 1 0.659 -7.661 12.844
3 3H GLU 1 3HT GLU 1 2.316 -7.886 13.144
4 HA GLU 1 HA GLU 1 2.106 -9.841 12.088
5 1HB GLU 1 2HB GLU 1 0.635 -10.261 14.705
6 2HB GLU 1 1HB GLU 1 1.117 -11.591 13.651
7 1HG GLU 1 2HG GLU 1 2.936 -9.576 14.998
8 2HG GLU 1 1HG GLU 1 2.852 -11.311 15.309
9 H GLN 2 H GLN 2 0.135 -8.099 11.070
10 HA GLN 2 HA GLN 2 -1.669 -9.868 9.778
11 1HB GLN 2 2HB GLN 2 -2.302 -9.229 12.501
12 2HB GLN 2 1HB GLN 2 -3.529 -8.506 11.460
13 1HG GLN 2 2HG GLN 2 -4.194 -10.564 10.586
14 2HG GLN 2 1HG GLN 2 -2.655 -11.337 10.969
15 1HE2 GLN 2 1HE2 GLN 2 -4.307 -12.979 11.971
16 2HE2 GLN 2 2HE2 GLN 2 -4.751 -12.707 13.586
17 H GLU 3 H GLU 3 -0.753 -8.222 8.221
18 HA GLU 3 HA GLU 3 -2.418 -5.726 8.219
19 1HB GLU 3 2HB GLU 3 -0.367 -4.840 6.896
20 2HB GLU 3 1HB GLU 3 -0.179 -5.058 8.635
21 1HG GLU 3 2HG GLU 3 1.010 -7.105 8.353
22 2HG GLU 3 1HG GLU 3 0.552 -7.219 6.653
23 H CYS 4 H CYS 4 -2.636 -8.532 6.973
24 HA CYS 4 HA CYS 4 -3.764 -9.246 5.007
25 1HB CYS 4 2HB CYS 4 -4.225 -6.654 4.901
26 2HB CYS 4 1HB CYS 4 -3.009 -6.701 3.618
27 H THR 5 H THR 5 -3.099 -9.503 2.549
28 HA THR 5 HA THR 5 -0.283 -9.344 1.906
29 HB THR 5 HB THR 5 -0.764 -12.162 2.118
30 HG1 THR 5 1HG THR 5 -2.054 -12.077 3.786
31 1HG2 THR 5 1HG2 THR 5 1.176 -11.943 3.737
32 2HG2 THR 5 2HG2 THR 5 1.064 -10.198 3.506
33 3HG2 THR 5 3HG2 THR 5 1.449 -11.245 2.140
34 HA PRO 6 HA PRO 6 -2.441 -12.270 -1.290
35 1HB PRO 6 2HB PRO 6 -5.155 -12.604 -0.989
36 2HB PRO 6 1HB PRO 6 -3.935 -13.717 -0.334
37 1HG PRO 6 2HG PRO 6 -5.366 -11.474 1.034
38 2HG PRO 6 1HG PRO 6 -5.073 -13.129 1.601
39 1HD PRO 6 2HD PRO 6 -3.558 -11.135 2.468
40 2HD PRO 6 1HD PRO 6 -2.830 -12.707 2.086
41 H GLY 7 H GLY 7 -4.937 -9.860 -0.180
42 1HA GLY 7 2HA GLY 7 -4.717 -7.719 -1.647
43 2HA GLY 7 1HA GLY 7 -4.892 -8.851 -2.987
44 H GLN 8 H GLN 8 -6.599 -8.699 0.155
45 HA GLN 8 HA GLN 8 -9.135 -9.420 -0.938
46 1HB GLN 8 2HB GLN 8 -8.011 -8.326 1.591
47 2HB GLN 8 1HB GLN 8 -9.752 -8.126 1.360
48 1HG GLN 8 2HG GLN 8 -9.807 -10.227 2.266
49 2HG GLN 8 1HG GLN 8 -9.504 -10.697 0.593
50 1HE2 GLN 8 1HE2 GLN 8 -8.365 -12.648 1.435
51 2HE2 GLN 8 2HE2 GLN 8 -6.781 -12.509 2.031
52 H THR 9 H THR 9 -9.250 -6.433 0.833
53 HA THR 9 HA THR 9 -9.302 -4.481 -1.204
54 HB THR 9 HB THR 9 -11.649 -6.309 -1.042
55 HG1 THR 9 1HG THR 9 -10.026 -5.721 -2.822
56 1HG2 THR 9 1HG2 THR 9 -12.682 -4.282 -0.156
57 2HG2 THR 9 2HG2 THR 9 -13.205 -4.522 -1.823
58 3HG2 THR 9 3HG2 THR 9 -11.968 -3.321 -1.450
59 H LYS 10 H LYS 10 -10.060 -2.440 -0.346
60 HA LYS 10 HA LYS 10 -11.122 -2.522 2.451
61 1HB LYS 10 2HB LYS 10 -8.485 -2.076 1.760
62 2HB LYS 10 1HB LYS 10 -9.125 -0.437 1.888
63 1HG LYS 10 2HG LYS 10 -10.115 -1.107 4.122
64 2HG LYS 10 1HG LYS 10 -9.192 -2.606 4.000
65 1HD LYS 10 2HD LYS 10 -7.102 -1.284 3.797
66 2HD LYS 10 1HD LYS 10 -8.040 0.198 3.980
67 1HE LYS 10 2HE LYS 10 -7.035 -0.517 6.146
68 2HE LYS 10 1HE LYS 10 -8.808 -0.568 6.214
69 1HZ LYS 10 1HZ LYS 10 -7.513 -2.643 6.959
70 2HZ LYS 10 2HZ LYS 10 -7.262 -2.912 5.300
71 3HZ LYS 10 3HZ LYS 10 -8.841 -2.855 5.925
72 H LYS 11 H LYS 11 -12.777 -1.075 2.723
73 HA LYS 11 HA LYS 11 -13.382 0.823 0.516
74 1HB LYS 11 2HB LYS 11 -15.008 -0.858 1.559
75 2HB LYS 11 1HB LYS 11 -14.984 0.160 3.000
76 1HG LYS 11 2HG LYS 11 -15.409 2.020 1.034
77 2HG LYS 11 1HG LYS 11 -16.281 0.626 0.393
78 1HD LYS 11 2HD LYS 11 -17.686 0.483 2.292
79 2HD LYS 11 1HD LYS 11 -16.622 1.503 3.261
80 1HE LYS 11 2HE LYS 11 -17.174 3.250 1.279
81 2HE LYS 11 1HE LYS 11 -18.668 2.291 1.245
82 1HZ LYS 11 1HZ LYS 11 -17.437 3.388 3.717
83 2HZ LYS 11 2HZ LYS 11 -18.928 2.582 3.594
84 3HZ LYS 11 3HZ LYS 11 -18.729 4.117 2.895
85 H GLN 12 H GLN 12 -11.165 1.705 1.891
86 HA GLN 12 HA GLN 12 -11.655 3.298 4.217
87 1HB GLN 12 2HB GLN 12 -9.606 3.042 2.065
88 2HB GLN 12 1HB GLN 12 -9.557 4.507 3.046
89 1HG GLN 12 2HG GLN 12 -9.962 2.106 4.663
90 2HG GLN 12 1HG GLN 12 -8.458 2.049 3.743
91 1HE2 GLN 12 1HE2 GLN 12 -6.882 2.651 5.270
92 2HE2 GLN 12 2HE2 GLN 12 -6.949 4.069 6.199
93 H ASP 13 H ASP 13 -13.390 4.732 4.078
94 HA ASP 13 HA ASP 13 -14.727 6.503 3.241
95 1HB ASP 13 2HB ASP 13 -12.712 7.529 4.264
96 2HB ASP 13 1HB ASP 13 -11.898 7.465 2.698
97 H CYS 14 H CYS 14 -12.496 7.704 0.934
98 HA CYS 14 HA CYS 14 -14.131 6.489 -1.269
99 1HB CYS 14 2HB CYS 14 -12.758 9.169 -0.920
100 2HB CYS 14 1HB CYS 14 -13.414 8.623 -2.462
101 H ASN 15 H ASN 15 -11.035 6.567 0.120
102 HA ASN 15 HA ASN 15 -9.695 5.941 -2.480
103 1HB ASN 15 2HB ASN 15 -8.628 6.669 0.269
104 2HB ASN 15 1HB ASN 15 -7.640 6.438 -1.179
105 1HD2 ASN 15 1HD2 ASN 15 -8.446 8.931 0.580
106 2HD2 ASN 15 2HD2 ASN 15 -8.883 10.087 -0.596
107 H THR 16 H THR 16 -10.130 3.713 -2.738
108 HA THR 16 HA THR 16 -10.186 1.747 -0.681
109 HB THR 16 HB THR 16 -9.249 1.401 -3.544
110 HG1 THR 16 1HG THR 16 -11.179 1.916 -4.160
111 1HG2 THR 16 1HG2 THR 16 -9.532 -0.450 -1.552
112 2HG2 THR 16 2HG2 THR 16 -9.703 -0.809 -3.270
113 3HG2 THR 16 3HG2 THR 16 -11.134 -0.491 -2.289
114 H CYS 17 H CYS 17 -8.528 0.440 0.194
115 HA CYS 17 HA CYS 17 -5.784 1.516 -0.061
116 1HB CYS 17 2HB CYS 17 -7.414 0.321 1.930
117 2HB CYS 17 1HB CYS 17 -6.066 -0.783 1.656
118 H ASN 18 H ASN 18 -7.644 -1.343 -0.948
119 HA ASN 18 HA ASN 18 -7.053 -3.217 -2.263
120 1HB ASN 18 2HB ASN 18 -6.442 -1.383 -3.797
121 2HB ASN 18 1HB ASN 18 -4.854 -1.268 -3.039
122 1HD2 ASN 18 1HD2 ASN 18 -6.375 -2.580 -5.703
123 2HD2 ASN 18 2HD2 ASN 18 -5.328 -3.880 -6.006
124 H CYS 19 H CYS 19 -6.284 -4.958 -1.112
125 HA CYS 19 HA CYS 19 -3.987 -4.772 0.648
126 1HB CYS 19 2HB CYS 19 -5.925 -6.148 1.110
127 2HB CYS 19 1HB CYS 19 -5.740 -7.004 -0.411
128 H THR 20 H THR 20 -1.883 -5.629 0.273
129 HA THR 20 HA THR 20 -1.347 -6.548 -2.541
130 HB THR 20 HB THR 20 0.977 -5.372 -1.537
131 HG1 THR 20 1HG THR 20 0.394 -3.889 -0.190
132 1HG2 THR 20 1HG2 THR 20 -0.071 -3.367 -2.979
133 2HG2 THR 20 2HG2 THR 20 -1.199 -4.644 -3.434
134 3HG2 THR 20 3HG2 THR 20 0.528 -4.847 -3.727
135 HA PRO 21 HA PRO 21 0.909 -9.981 -0.991
136 1HB PRO 21 2HB PRO 21 3.278 -9.899 -2.364
137 2HB PRO 21 1HB PRO 21 1.737 -10.358 -3.117
138 1HG PRO 21 2HG PRO 21 3.168 -7.741 -3.183
139 2HG PRO 21 1HG PRO 21 2.323 -8.595 -4.484
140 1HD PRO 21 2HD PRO 21 1.221 -6.513 -3.158
141 2HD PRO 21 1HD PRO 21 0.252 -7.854 -3.809
142 H THR 22 H THR 22 1.043 -8.021 0.877
143 HA THR 22 HA THR 22 3.207 -8.555 2.537
144 HB THR 22 HB THR 22 4.802 -7.755 0.985
145 HG1 THR 22 1HG THR 22 5.118 -6.687 2.916
146 1HG2 THR 22 1HG2 THR 22 2.609 -5.876 0.232
147 2HG2 THR 22 2HG2 THR 22 3.690 -6.813 -0.801
148 3HG2 THR 22 3HG2 THR 22 4.267 -5.337 -0.028
149 H GLY 23 H GLY 23 0.406 -7.735 2.587
150 1HA GLY 23 2HA GLY 23 -1.036 -6.199 3.620
151 2HA GLY 23 1HA GLY 23 0.213 -6.186 4.864
152 H VAL 24 H VAL 24 -0.641 -3.876 5.025
153 HA VAL 24 HA VAL 24 -0.007 -1.599 4.859
154 HB VAL 24 HB VAL 24 1.787 -2.408 2.567
155 1HG1 VAL 24 1HG1 VAL 24 1.287 -0.018 4.010
156 2HG1 VAL 24 2HG1 VAL 24 2.534 -0.301 2.795
157 3HG1 VAL 24 3HG1 VAL 24 2.884 -0.584 4.502
158 1HG2 VAL 24 1HG2 VAL 24 1.834 -3.408 5.277
159 2HG2 VAL 24 2HG2 VAL 24 3.251 -2.396 4.994
160 3HG2 VAL 24 3HG2 VAL 24 2.931 -3.779 3.948
161 H TRP 25 H TRP 25 -1.297 -3.496 2.329
162 HA TRP 25 HA TRP 25 -2.471 -2.928 0.345
163 1HB TRP 25 2HB TRP 25 -3.337 -0.698 2.207
164 2HB TRP 25 1HB TRP 25 -4.294 -1.452 0.934
165 HD1 TRP 25 HD TRP 25 -2.431 -2.597 4.139
166 HE1 TRP 25 1HE TRP 25 -3.847 -4.430 5.269
167 HE3 TRP 25 3HE TRP 25 -6.270 -2.929 0.791
168 HZ2 TRP 25 2HZ TRP 25 -6.292 -5.849 4.812
169 HZ3 TRP 25 3HZ TRP 25 -8.125 -4.526 1.162
170 HH2 TRP 25 HH TRP 25 -8.145 -5.987 3.165
171 H ALA 26 H ALA 26 -3.362 -0.183 -0.250
172 HA ALA 26 HA ALA 26 -0.767 1.151 -0.928
173 1HB ALA 26 1HB ALA 26 -3.135 0.557 -2.737
174 2HB ALA 26 2HB ALA 26 -1.540 -0.191 -2.835
175 3HB ALA 26 3HB ALA 26 -1.736 1.523 -3.203
176 H CYS 27 H CYS 27 -4.313 1.575 -1.242
177 HA CYS 27 HA CYS 27 -5.676 3.433 -0.733
178 1HB CYS 27 2HB CYS 27 -3.521 3.227 1.263
179 2HB CYS 27 1HB CYS 27 -4.243 4.832 1.163
180 H THR 28 H THR 28 -5.588 4.665 -2.642
181 HA THR 28 HA THR 28 -3.396 6.709 -2.803
182 HB THR 28 HB THR 28 -3.527 4.857 -4.543
183 HG1 THR 28 1HG THR 28 -2.657 7.023 -4.891
184 1HG2 THR 28 1HG2 THR 28 -5.313 4.951 -6.182
185 2HG2 THR 28 2HG2 THR 28 -6.007 6.372 -5.400
186 3HG2 THR 28 3HG2 THR 28 -6.034 4.812 -4.578
187 H ARG 29 H ARG 29 -4.064 8.848 -2.893
188 HA ARG 29 HA ARG 29 -6.958 9.395 -2.621
189 1HB ARG 29 2HB ARG 29 -4.357 10.836 -2.216
190 2HB ARG 29 1HB ARG 29 -5.835 11.784 -2.382
191 1HG ARG 29 2HG ARG 29 -6.722 11.009 -0.405
192 2HG ARG 29 1HG ARG 29 -5.915 9.446 -0.535
193 1HD ARG 29 2HD ARG 29 -3.734 10.579 -0.030
194 2HD ARG 29 1HD ARG 29 -4.630 12.085 0.249
195 HE ARG 29 HE ARG 29 -5.888 10.015 1.748
196 1HH1 ARG 29 1HH2 ARG 29 -2.594 10.552 1.652
197 2HH1 ARG 29 2HH2 ARG 29 -2.432 11.000 3.317
198 1HH2 ARG 29 1HH1 ARG 29 -5.850 11.133 3.891
199 2HH2 ARG 29 2HH1 ARG 29 -4.274 11.327 4.586
200 H LYS 30 H LYS 30 -8.190 10.176 -4.293
201 HA LYS 30 HA LYS 30 -7.124 11.848 -6.413
202 1HB LYS 30 2HB LYS 30 -6.136 9.838 -7.217
203 2HB LYS 30 1HB LYS 30 -7.567 8.885 -6.824
204 1HG LYS 30 2HG LYS 30 -8.555 9.376 -8.795
205 2HG LYS 30 1HG LYS 30 -8.171 11.091 -8.643
206 1HD LYS 30 2HD LYS 30 -6.333 10.910 -9.951
207 2HD LYS 30 1HD LYS 30 -5.814 9.423 -9.160
208 1HE LYS 30 2HE LYS 30 -7.215 8.071 -10.543
209 2HE LYS 30 1HE LYS 30 -8.118 9.484 -11.127
210 1HZ LYS 30 1HZ LYS 30 -6.226 8.586 -12.588
211 2HZ LYS 30 2HZ LYS 30 -5.189 9.312 -11.455
212 3HZ LYS 30 3HZ LYS 30 -6.302 10.259 -12.322
213 H GLY 31 H GLY 31 -9.687 9.543 -5.489
214 1HA GLY 31 2HA GLY 31 -11.680 11.124 -7.004
215 2HA GLY 31 1HA GLY 31 -11.983 9.582 -6.195
216 H CYS 32 H CYS 32 -13.899 11.205 -5.584
217 HA CYS 32 HA CYS 32 -14.962 12.442 -3.872
218 1HB CYS 32 2HB CYS 32 -13.258 10.381 -2.832
219 2HB CYS 32 1HB CYS 32 -13.240 11.742 -1.711
220 HA PRO 33 HA PRO 33 -12.592 16.005 -2.796
221 1HB PRO 33 2HB PRO 33 -13.510 16.672 -0.308
222 2HB PRO 33 1HB PRO 33 -14.512 16.782 -1.769
223 1HG PRO 33 2HG PRO 33 -14.658 14.881 0.446
224 2HG PRO 33 1HG PRO 33 -15.874 15.293 -0.767
225 1HD PRO 33 2HD PRO 33 -14.140 13.003 -0.687
226 2HD PRO 33 1HD PRO 33 -15.398 13.387 -1.881
227 HA PRO 34 HA PRO 34 -9.073 14.607 -0.456
228 1HB PRO 34 2HB PRO 34 -7.493 16.792 -0.912
229 2HB PRO 34 1HB PRO 34 -7.776 15.534 -2.132
230 1HG PRO 34 2HG PRO 34 -8.965 18.241 -1.896
231 2HG PRO 34 1HG PRO 34 -8.538 17.315 -3.341
232 1HD PRO 34 2HD PRO 34 -11.098 17.599 -2.357
233 2HD PRO 34 1HD PRO 34 -10.561 16.283 -3.424
234 H HIS 35 H HIS 35 -8.574 18.039 -0.023
235 HA HIS 35 HA HIS 35 -9.418 17.771 2.846
236 1HB HIS 35 2HB HIS 35 -7.097 19.144 1.479
237 2HB HIS 35 1HB HIS 35 -7.561 19.534 3.135
238 HD1 HIS 35 1HD HIS 35 -7.902 17.161 4.652
239 HD2 HIS 35 2HD HIS 35 -5.245 17.103 1.440
240 HE1 HIS 35 1HE HIS 35 -6.354 15.194 5.037
Start of MODEL 8
1 1H GLU 1 1HT GLU 1 2.239 -10.698 12.727
2 2H GLU 1 2HT GLU 1 1.901 -12.317 12.338
3 3H GLU 1 3HT GLU 1 1.045 -11.060 11.577
4 HA GLU 1 HA GLU 1 3.536 -10.372 10.915
5 1HB GLU 1 2HB GLU 1 3.675 -12.905 12.139
6 2HB GLU 1 1HB GLU 1 3.856 -13.212 10.411
7 1HG GLU 1 2HG GLU 1 5.960 -12.421 10.462
8 2HG GLU 1 1HG GLU 1 5.383 -10.881 11.099
9 H GLN 2 H GLN 2 0.928 -10.155 9.922
10 HA GLN 2 HA GLN 2 1.258 -10.686 7.133
11 1HB GLN 2 2HB GLN 2 0.805 -12.978 8.540
12 2HB GLN 2 1HB GLN 2 -0.849 -12.512 8.144
13 1HG GLN 2 2HG GLN 2 -0.162 -12.279 5.752
14 2HG GLN 2 1HG GLN 2 1.435 -12.891 6.187
15 1HE2 GLN 2 1HE2 GLN 2 0.903 -14.756 4.693
16 2HE2 GLN 2 2HE2 GLN 2 -0.054 -16.027 5.282
17 H GLU 3 H GLU 3 0.366 -8.433 8.463
18 HA GLU 3 HA GLU 3 -2.361 -8.071 8.987
19 1HB GLU 3 2HB GLU 3 -1.897 -5.725 8.224
20 2HB GLU 3 1HB GLU 3 -0.639 -6.362 9.283
21 1HG GLU 3 2HG GLU 3 0.575 -7.087 7.139
22 2HG GLU 3 1HG GLU 3 -0.562 -6.047 6.282
23 H CYS 4 H CYS 4 -0.789 -8.680 5.932
24 HA CYS 4 HA CYS 4 -3.286 -9.192 4.583
25 1HB CYS 4 2HB CYS 4 -3.799 -7.077 3.975
26 2HB CYS 4 1HB CYS 4 -2.341 -6.480 4.761
27 H THR 5 H THR 5 -2.872 -9.737 2.244
28 HA THR 5 HA THR 5 -0.125 -9.993 1.312
29 HB THR 5 HB THR 5 -1.181 -12.683 1.606
30 HG1 THR 5 1HG THR 5 -1.197 -12.787 3.798
31 1HG2 THR 5 1HG2 THR 5 1.033 -13.103 2.485
32 2HG2 THR 5 2HG2 THR 5 1.288 -11.382 2.770
33 3HG2 THR 5 3HG2 THR 5 1.181 -11.996 1.121
34 HA PRO 6 HA PRO 6 -2.999 -12.355 -1.746
35 1HB PRO 6 2HB PRO 6 -5.671 -12.464 -1.110
36 2HB PRO 6 1HB PRO 6 -4.503 -13.732 -0.684
37 1HG PRO 6 2HG PRO 6 -5.543 -11.483 0.989
38 2HG PRO 6 1HG PRO 6 -5.318 -13.190 1.415
39 1HD PRO 6 2HD PRO 6 -3.552 -11.343 2.177
40 2HD PRO 6 1HD PRO 6 -3.022 -12.962 1.679
41 H GLY 7 H GLY 7 -4.490 -9.591 -0.015
42 1HA GLY 7 2HA GLY 7 -4.487 -7.433 -1.253
43 2HA GLY 7 1HA GLY 7 -4.878 -8.352 -2.709
44 H GLN 8 H GLN 8 -6.262 -8.290 0.599
45 HA GLN 8 HA GLN 8 -8.948 -8.750 -0.250
46 1HB GLN 8 2HB GLN 8 -7.846 -7.302 2.184
47 2HB GLN 8 1HB GLN 8 -9.464 -7.998 2.050
48 1HG GLN 8 2HG GLN 8 -8.290 -10.220 1.525
49 2HG GLN 8 1HG GLN 8 -6.810 -9.445 2.092
50 1HE2 GLN 8 1HE2 GLN 8 -6.624 -8.967 4.375
51 2HE2 GLN 8 2HE2 GLN 8 -7.734 -9.563 5.512
52 H THR 9 H THR 9 -9.982 -6.352 1.339
53 HA THR 9 HA THR 9 -9.338 -3.972 -0.187
54 HB THR 9 HB THR 9 -11.673 -5.733 -0.936
55 HG1 THR 9 1HG THR 9 -9.347 -5.119 -2.002
56 1HG2 THR 9 1HG2 THR 9 -11.495 -2.760 -0.974
57 2HG2 THR 9 2HG2 THR 9 -12.909 -3.800 -0.812
58 3HG2 THR 9 3HG2 THR 9 -12.181 -3.545 -2.397
59 H LYS 10 H LYS 10 -9.335 -3.095 1.967
60 HA LYS 10 HA LYS 10 -11.741 -3.233 3.640
61 1HB LYS 10 2HB LYS 10 -10.340 -1.689 5.062
62 2HB LYS 10 1HB LYS 10 -9.519 -3.190 4.632
63 1HG LYS 10 2HG LYS 10 -8.186 -2.119 2.983
64 2HG LYS 10 1HG LYS 10 -9.207 -0.682 2.977
65 1HD LYS 10 2HD LYS 10 -7.329 -0.031 4.248
66 2HD LYS 10 1HD LYS 10 -8.533 -0.449 5.468
67 1HE LYS 10 2HE LYS 10 -7.054 -2.816 4.679
68 2HE LYS 10 1HE LYS 10 -5.950 -1.545 5.237
69 1HZ LYS 10 1HZ LYS 10 -6.802 -2.791 7.118
70 2HZ LYS 10 2HZ LYS 10 -8.401 -2.472 6.641
71 3HZ LYS 10 3HZ LYS 10 -7.397 -1.203 7.159
72 H LYS 11 H LYS 11 -13.393 -1.728 3.621
73 HA LYS 11 HA LYS 11 -13.294 0.432 1.620
74 1HB LYS 11 2HB LYS 11 -15.214 -1.260 2.445
75 2HB LYS 11 1HB LYS 11 -15.553 0.083 3.537
76 1HG LYS 11 2HG LYS 11 -15.236 0.425 0.545
77 2HG LYS 11 1HG LYS 11 -16.797 0.174 1.329
78 1HD LYS 11 2HD LYS 11 -15.696 2.182 2.862
79 2HD LYS 11 1HD LYS 11 -15.110 2.582 1.248
80 1HE LYS 11 2HE LYS 11 -17.155 3.380 0.696
81 2HE LYS 11 1HE LYS 11 -17.878 1.801 1.062
82 1HZ LYS 11 1HZ LYS 11 -17.467 4.107 2.846
83 2HZ LYS 11 2HZ LYS 11 -17.486 2.539 3.500
84 3HZ LYS 11 3HZ LYS 11 -18.840 3.130 2.662
85 H GLN 12 H GLN 12 -13.301 2.632 2.100
86 HA GLN 12 HA GLN 12 -13.429 3.546 4.917
87 1HB GLN 12 2HB GLN 12 -11.002 3.224 3.267
88 2HB GLN 12 1HB GLN 12 -11.156 4.817 4.011
89 1HG GLN 12 2HG GLN 12 -11.717 3.515 6.185
90 2HG GLN 12 1HG GLN 12 -11.019 2.123 5.357
91 1HE2 GLN 12 1HE2 GLN 12 -10.068 5.607 5.448
92 2HE2 GLN 12 2HE2 GLN 12 -8.468 5.305 5.928
93 H ASP 13 H ASP 13 -12.733 4.440 1.543
94 HA ASP 13 HA ASP 13 -14.806 6.498 1.533
95 1HB ASP 13 2HB ASP 13 -12.413 7.205 2.669
96 2HB ASP 13 1HB ASP 13 -12.131 7.648 0.982
97 H CYS 14 H CYS 14 -13.238 7.977 -0.586
98 HA CYS 14 HA CYS 14 -13.927 6.210 -2.829
99 1HB CYS 14 2HB CYS 14 -13.044 9.030 -2.370
100 2HB CYS 14 1HB CYS 14 -12.823 8.353 -3.981
101 H ASN 15 H ASN 15 -11.369 6.146 -0.818
102 HA ASN 15 HA ASN 15 -9.415 5.564 -3.015
103 1HB ASN 15 2HB ASN 15 -8.880 6.440 -0.160
104 2HB ASN 15 1HB ASN 15 -7.705 6.345 -1.476
105 1HD2 ASN 15 1HD2 ASN 15 -9.660 7.449 -3.477
106 2HD2 ASN 15 2HD2 ASN 15 -9.775 9.113 -3.127
107 H THR 16 H THR 16 -9.749 3.304 -3.156
108 HA THR 16 HA THR 16 -10.096 1.594 -0.845
109 HB THR 16 HB THR 16 -9.005 0.557 -3.419
110 HG1 THR 16 1HG THR 16 -11.206 0.935 -4.270
111 1HG2 THR 16 1HG2 THR 16 -9.877 -0.959 -1.705
112 2HG2 THR 16 2HG2 THR 16 -10.912 -1.003 -3.132
113 3HG2 THR 16 3HG2 THR 16 -11.418 -0.099 -1.704
114 H CYS 17 H CYS 17 -8.511 0.841 0.504
115 HA CYS 17 HA CYS 17 -5.730 1.560 0.155
116 1HB CYS 17 2HB CYS 17 -7.513 0.389 2.115
117 2HB CYS 17 1HB CYS 17 -5.991 -0.500 2.062
118 H ASN 18 H ASN 18 -7.657 -1.246 -0.639
119 HA ASN 18 HA ASN 18 -7.081 -3.369 -1.512
120 1HB ASN 18 2HB ASN 18 -5.873 -3.064 -3.601
121 2HB ASN 18 1HB ASN 18 -6.919 -1.668 -3.340
122 1HD2 ASN 18 1HD2 ASN 18 -5.900 0.379 -2.765
123 2HD2 ASN 18 2HD2 ASN 18 -4.230 0.619 -2.952
124 H CYS 19 H CYS 19 -6.039 -4.735 -0.121
125 HA CYS 19 HA CYS 19 -3.543 -4.453 1.173
126 1HB CYS 19 2HB CYS 19 -5.022 -6.140 1.869
127 2HB CYS 19 1HB CYS 19 -5.335 -6.678 0.224
128 H THR 20 H THR 20 -1.405 -5.233 0.580
129 HA THR 20 HA THR 20 -1.011 -5.491 -2.377
130 HB THR 20 HB THR 20 0.079 -3.806 -0.503
131 HG1 THR 20 1HG THR 20 1.233 -3.161 -2.174
132 1HG2 THR 20 1HG2 THR 20 1.292 -6.009 0.312
133 2HG2 THR 20 2HG2 THR 20 2.169 -4.480 0.235
134 3HG2 THR 20 3HG2 THR 20 2.357 -5.671 -1.053
135 HA PRO 21 HA PRO 21 0.415 -9.623 -1.968
136 1HB PRO 21 2HB PRO 21 2.719 -9.714 -3.441
137 2HB PRO 21 1HB PRO 21 1.106 -9.577 -4.169
138 1HG PRO 21 2HG PRO 21 3.156 -7.476 -3.710
139 2HG PRO 21 1HG PRO 21 2.038 -7.687 -5.065
140 1HD PRO 21 2HD PRO 21 1.667 -5.882 -3.041
141 2HD PRO 21 1HD PRO 21 0.347 -6.575 -4.008
142 H THR 22 H THR 22 1.055 -8.320 0.340
143 HA THR 22 HA THR 22 3.000 -9.804 1.646
144 HB THR 22 HB THR 22 4.706 -9.008 0.145
145 HG1 THR 22 1HG THR 22 5.985 -8.473 1.704
146 1HG2 THR 22 1HG2 THR 22 5.052 -6.509 -0.125
147 2HG2 THR 22 2HG2 THR 22 3.483 -6.290 0.648
148 3HG2 THR 22 3HG2 THR 22 3.596 -7.145 -0.890
149 H GLY 23 H GLY 23 0.526 -8.294 2.101
150 1HA GLY 23 2HA GLY 23 -0.366 -7.266 4.048
151 2HA GLY 23 1HA GLY 23 1.273 -7.041 4.630
152 H VAL 24 H VAL 24 0.374 -4.861 5.201
153 HA VAL 24 HA VAL 24 0.262 -2.544 4.793
154 HB VAL 24 HB VAL 24 2.086 -3.606 2.625
155 1HG1 VAL 24 1HG1 VAL 24 1.440 -0.739 3.370
156 2HG1 VAL 24 2HG1 VAL 24 1.220 -1.504 1.796
157 3HG1 VAL 24 3HG1 VAL 24 2.844 -1.210 2.415
158 1HG2 VAL 24 1HG2 VAL 24 3.844 -2.909 4.084
159 2HG2 VAL 24 2HG2 VAL 24 2.675 -3.732 5.116
160 3HG2 VAL 24 3HG2 VAL 24 2.737 -1.971 5.086
161 H TRP 25 H TRP 25 -0.631 -0.922 3.293
162 HA TRP 25 HA TRP 25 -2.246 -2.066 1.048
163 1HB TRP 25 2HB TRP 25 -3.125 -0.102 3.196
164 2HB TRP 25 1HB TRP 25 -4.129 -0.682 1.866
165 HD1 TRP 25 HD TRP 25 -2.117 -2.167 4.825
166 HE1 TRP 25 1HE TRP 25 -3.381 -4.240 5.691
167 HE3 TRP 25 3HE TRP 25 -5.966 -2.320 1.470
168 HZ2 TRP 25 2HZ TRP 25 -5.716 -5.762 5.045
169 HZ3 TRP 25 3HZ TRP 25 -7.692 -4.090 1.619
170 HH2 TRP 25 HH TRP 25 -7.573 -5.810 3.399
171 H ALA 26 H ALA 26 -3.043 -0.204 -0.404
172 HA ALA 26 HA ALA 26 -0.839 1.791 -0.692
173 1HB ALA 26 1HB ALA 26 -1.038 1.215 -2.863
174 2HB ALA 26 2HB ALA 26 -2.724 1.732 -2.862
175 3HB ALA 26 3HB ALA 26 -2.310 0.075 -2.421
176 H CYS 27 H CYS 27 -4.385 1.712 -1.237
177 HA CYS 27 HA CYS 27 -6.024 3.351 -0.783
178 1HB CYS 27 2HB CYS 27 -3.947 3.511 1.258
179 2HB CYS 27 1HB CYS 27 -4.713 5.077 0.996
180 H THR 28 H THR 28 -5.849 4.246 -2.942
181 HA THR 28 HA THR 28 -3.933 6.463 -3.386
182 HB THR 28 HB THR 28 -6.023 5.703 -5.366
183 HG1 THR 28 1HG THR 28 -4.337 3.877 -5.745
184 1HG2 THR 28 1HG2 THR 28 -3.604 5.470 -6.574
185 2HG2 THR 28 2HG2 THR 28 -3.200 6.594 -5.276
186 3HG2 THR 28 3HG2 THR 28 -4.475 6.997 -6.427
187 H ARG 29 H ARG 29 -4.530 8.582 -3.144
188 HA ARG 29 HA ARG 29 -7.462 9.216 -3.004
189 1HB ARG 29 2HB ARG 29 -6.395 9.373 -0.831
190 2HB ARG 29 1HB ARG 29 -5.067 10.320 -1.503
191 1HG ARG 29 2HG ARG 29 -6.243 12.239 -1.338
192 2HG ARG 29 1HG ARG 29 -7.650 11.516 -2.120
193 1HD ARG 29 2HD ARG 29 -8.701 11.372 -0.119
194 2HD ARG 29 1HD ARG 29 -7.363 10.401 0.528
195 HE ARG 29 HE ARG 29 -6.234 12.483 1.169
196 1HH1 ARG 29 1HH1 ARG 29 -9.483 12.462 1.565
197 2HH1 ARG 29 2HH1 ARG 29 -9.721 14.176 1.494
198 1HH2 ARG 29 1HH2 ARG 29 -6.507 14.844 0.377
199 2HH2 ARG 29 2HH2 ARG 29 -8.036 15.525 0.818
200 H LYS 30 H LYS 30 -7.917 10.218 -4.943
201 HA LYS 30 HA LYS 30 -6.215 12.547 -5.717
202 1HB LYS 30 2HB LYS 30 -5.514 10.530 -6.980
203 2HB LYS 30 1HB LYS 30 -7.172 10.317 -7.542
204 1HG LYS 30 2HG LYS 30 -6.975 11.951 -9.103
205 2HG LYS 30 1HG LYS 30 -6.113 13.023 -7.998
206 1HD LYS 30 2HD LYS 30 -4.440 10.766 -8.619
207 2HD LYS 30 1HD LYS 30 -5.021 11.489 -10.120
208 1HE LYS 30 2HE LYS 30 -3.094 12.768 -9.662
209 2HE LYS 30 1HE LYS 30 -4.376 13.762 -8.942
210 1HZ LYS 30 1HZ LYS 30 -3.434 11.650 -7.223
211 2HZ LYS 30 2HZ LYS 30 -3.694 13.294 -6.879
212 3HZ LYS 30 3HZ LYS 30 -2.237 12.793 -7.595
213 H GLY 31 H GLY 31 -9.109 11.787 -4.667
214 1HA GLY 31 2HA GLY 31 -10.731 13.763 -5.027
215 2HA GLY 31 1HA GLY 31 -10.615 13.330 -6.738
216 H CYS 32 H CYS 32 -12.615 13.018 -4.185
217 HA CYS 32 HA CYS 32 -13.402 10.195 -4.677
218 1HB CYS 32 2HB CYS 32 -13.258 10.970 -2.382
219 2HB CYS 32 1HB CYS 32 -14.280 12.363 -2.745
220 HA PRO 33 HA PRO 33 -16.291 12.061 -7.599
221 1HB PRO 33 2HB PRO 33 -16.840 9.722 -8.907
222 2HB PRO 33 1HB PRO 33 -15.396 10.699 -9.240
223 1HG PRO 33 2HG PRO 33 -15.668 8.215 -7.633
224 2HG PRO 33 1HG PRO 33 -14.348 8.739 -8.689
225 1HD PRO 33 2HD PRO 33 -14.288 8.902 -5.951
226 2HD PRO 33 1HD PRO 33 -13.337 9.939 -7.034
227 HA PRO 34 HA PRO 34 -19.834 10.870 -5.208
228 1HB PRO 34 2HB PRO 34 -21.672 12.374 -6.566
229 2HB PRO 34 1HB PRO 34 -20.520 13.070 -5.410
230 1HG PRO 34 2HG PRO 34 -20.447 13.057 -8.379
231 2HG PRO 34 1HG PRO 34 -19.936 14.312 -7.240
232 1HD PRO 34 2HD PRO 34 -18.216 12.607 -8.534
233 2HD PRO 34 1HD PRO 34 -17.855 13.420 -6.997
234 H HIS 35 H HIS 35 -19.829 10.776 -8.761
235 HA HIS 35 HA HIS 35 -22.113 8.924 -8.878
236 1HB HIS 35 2HB HIS 35 -21.773 9.138 -11.261
237 2HB HIS 35 1HB HIS 35 -21.509 10.734 -10.555
238 HD1 HIS 35 1HD HIS 35 -19.893 8.217 -12.641
239 HD2 HIS 35 2HD HIS 35 -18.606 11.274 -10.116
240 HE1 HIS 35 1HE HIS 35 -17.464 8.648 -13.217
Start of MODEL 9
1 1H GLU 1 1HT GLU 1 -1.901 -9.523 12.487
2 2H GLU 1 2HT GLU 1 -1.509 -8.532 11.164
3 3H GLU 1 3HT GLU 1 -0.311 -9.488 11.896
4 HA GLU 1 HA GLU 1 -1.327 -11.502 11.119
5 1HB GLU 1 2HB GLU 1 -3.474 -9.522 10.307
6 2HB GLU 1 1HB GLU 1 -3.452 -11.194 9.747
7 1HG GLU 1 2HG GLU 1 -4.532 -11.759 11.641
8 2HG GLU 1 1HG GLU 1 -3.059 -11.354 12.524
9 H GLN 2 H GLN 2 0.822 -10.086 10.201
10 HA GLN 2 HA GLN 2 2.115 -9.796 8.245
11 1HB GLN 2 2HB GLN 2 0.648 -11.963 7.852
12 2HB GLN 2 1HB GLN 2 -0.173 -10.940 6.672
13 1HG GLN 2 2HG GLN 2 1.631 -10.878 5.270
14 2HG GLN 2 1HG GLN 2 2.791 -10.866 6.598
15 1HE2 GLN 2 1HE2 GLN 2 2.375 -13.165 7.978
16 2HE2 GLN 2 2HE2 GLN 2 2.496 -14.532 6.980
17 H GLU 3 H GLU 3 0.151 -7.749 9.147
18 HA GLU 3 HA GLU 3 -1.053 -5.867 8.330
19 1HB GLU 3 2HB GLU 3 0.678 -4.863 6.483
20 2HB GLU 3 1HB GLU 3 0.952 -4.777 8.217
21 1HG GLU 3 2HG GLU 3 2.303 -6.815 8.140
22 2HG GLU 3 1HG GLU 3 1.974 -7.000 6.422
23 H CYS 4 H CYS 4 -1.862 -8.298 7.023
24 HA CYS 4 HA CYS 4 -3.488 -8.675 5.352
25 1HB CYS 4 2HB CYS 4 -4.199 -6.929 4.076
26 2HB CYS 4 1HB CYS 4 -3.146 -5.987 5.126
27 H THR 5 H THR 5 -3.398 -9.404 2.986
28 HA THR 5 HA THR 5 -0.839 -9.864 1.737
29 HB THR 5 HB THR 5 -1.608 -12.494 2.601
30 HG1 THR 5 1HG THR 5 -1.940 -12.258 4.648
31 1HG2 THR 5 1HG2 THR 5 0.727 -10.767 2.441
32 2HG2 THR 5 2HG2 THR 5 0.623 -12.522 2.296
33 3HG2 THR 5 3HG2 THR 5 0.757 -11.775 3.887
34 HA PRO 6 HA PRO 6 -4.059 -12.704 -0.344
35 1HB PRO 6 2HB PRO 6 -6.485 -13.076 0.858
36 2HB PRO 6 1HB PRO 6 -5.065 -14.086 1.188
37 1HG PRO 6 2HG PRO 6 -6.216 -11.862 2.783
38 2HG PRO 6 1HG PRO 6 -5.468 -13.373 3.322
39 1HD PRO 6 2HD PRO 6 -4.208 -10.946 3.339
40 2HD PRO 6 1HD PRO 6 -3.364 -12.504 3.254
41 H GLY 7 H GLY 7 -4.039 -9.687 -0.289
42 1HA GLY 7 2HA GLY 7 -5.210 -7.950 -1.332
43 2HA GLY 7 1HA GLY 7 -6.055 -9.221 -2.213
44 H GLN 8 H GLN 8 -6.061 -7.622 0.992
45 HA GLN 8 HA GLN 8 -8.942 -8.303 1.286
46 1HB GLN 8 2HB GLN 8 -6.765 -7.180 3.068
47 2HB GLN 8 1HB GLN 8 -8.455 -7.241 3.582
48 1HG GLN 8 2HG GLN 8 -8.497 -9.669 3.243
49 2HG GLN 8 1HG GLN 8 -6.835 -9.632 2.656
50 1HE2 GLN 8 1HE2 GLN 8 -8.151 -7.765 5.415
51 2HE2 GLN 8 2HE2 GLN 8 -7.163 -8.500 6.585
52 H THR 9 H THR 9 -8.488 -6.492 -0.791
53 HA THR 9 HA THR 9 -8.347 -3.772 -0.424
54 HB THR 9 HB THR 9 -10.535 -5.187 -1.976
55 HG1 THR 9 1HG THR 9 -7.918 -4.603 -2.861
56 1HG2 THR 9 1HG2 THR 9 -10.203 -2.544 -1.717
57 2HG2 THR 9 2HG2 THR 9 -10.700 -3.274 -3.244
58 3HG2 THR 9 3HG2 THR 9 -9.012 -2.831 -2.987
59 H LYS 10 H LYS 10 -9.413 -2.312 0.850
60 HA LYS 10 HA LYS 10 -12.132 -3.064 1.878
61 1HB LYS 10 2HB LYS 10 -11.426 -1.877 3.956
62 2HB LYS 10 1HB LYS 10 -10.374 -3.245 3.585
63 1HG LYS 10 2HG LYS 10 -9.433 -0.848 2.254
64 2HG LYS 10 1HG LYS 10 -9.581 -0.579 3.990
65 1HD LYS 10 2HD LYS 10 -8.379 -3.169 3.193
66 2HD LYS 10 1HD LYS 10 -7.410 -1.736 2.843
67 1HE LYS 10 2HE LYS 10 -6.732 -2.143 5.034
68 2HE LYS 10 1HE LYS 10 -8.136 -1.104 5.351
69 1HZ LYS 10 1HZ LYS 10 -7.806 -3.752 6.122
70 2HZ LYS 10 2HZ LYS 10 -8.979 -3.768 4.894
71 3HZ LYS 10 3HZ LYS 10 -9.203 -2.804 6.274
72 H LYS 11 H LYS 11 -12.834 -1.786 -0.094
73 HA LYS 11 HA LYS 11 -12.271 0.934 -0.577
74 1HB LYS 11 2HB LYS 11 -14.469 0.883 -1.704
75 2HB LYS 11 1HB LYS 11 -13.586 -0.615 -2.006
76 1HG LYS 11 2HG LYS 11 -14.873 -1.321 0.255
77 2HG LYS 11 1HG LYS 11 -16.035 -0.158 -0.383
78 1HD LYS 11 2HD LYS 11 -14.874 -2.255 -2.197
79 2HD LYS 11 1HD LYS 11 -16.209 -2.668 -1.119
80 1HE LYS 11 2HE LYS 11 -16.379 -0.206 -2.855
81 2HE LYS 11 1HE LYS 11 -16.805 -1.802 -3.505
82 1HZ LYS 11 1HZ LYS 11 -18.243 -2.135 -1.561
83 2HZ LYS 11 2HZ LYS 11 -18.744 -0.806 -2.495
84 3HZ LYS 11 3HZ LYS 11 -17.903 -0.558 -1.038
85 H GLN 12 H GLN 12 -12.059 1.917 1.579
86 HA GLN 12 HA GLN 12 -14.327 2.011 3.406
87 1HB GLN 12 2HB GLN 12 -11.545 2.941 3.194
88 2HB GLN 12 1HB GLN 12 -12.593 4.057 4.071
89 1HG GLN 12 2HG GLN 12 -13.069 2.514 5.743
90 2HG GLN 12 1HG GLN 12 -12.758 1.130 4.694
91 1HE2 GLN 12 1HE2 GLN 12 -11.351 0.474 6.664
92 2HE2 GLN 12 2HE2 GLN 12 -9.756 1.052 6.702
93 H ASP 13 H ASP 13 -12.645 4.752 1.818
94 HA ASP 13 HA ASP 13 -15.317 5.897 1.123
95 1HB ASP 13 2HB ASP 13 -14.401 8.082 2.065
96 2HB ASP 13 1HB ASP 13 -14.739 6.828 3.262
97 H CYS 14 H CYS 14 -13.091 8.309 0.775
98 HA CYS 14 HA CYS 14 -13.055 8.200 -2.086
99 1HB CYS 14 2HB CYS 14 -11.060 9.667 -0.347
100 2HB CYS 14 1HB CYS 14 -11.723 10.166 -1.902
101 H ASN 15 H ASN 15 -10.881 6.875 0.343
102 HA ASN 15 HA ASN 15 -8.898 6.197 -1.785
103 1HB ASN 15 2HB ASN 15 -8.865 6.435 1.221
104 2HB ASN 15 1HB ASN 15 -7.565 5.598 0.367
105 1HD2 ASN 15 1HD2 ASN 15 -5.874 6.926 -0.285
106 2HD2 ASN 15 2HD2 ASN 15 -5.993 8.609 -0.543
107 H THR 16 H THR 16 -8.911 4.153 -2.567
108 HA THR 16 HA THR 16 -10.293 2.004 -1.010
109 HB THR 16 HB THR 16 -9.524 2.358 -3.926
110 HG1 THR 16 1HG THR 16 -11.706 2.566 -4.195
111 1HG2 THR 16 1HG2 THR 16 -11.244 0.113 -2.938
112 2HG2 THR 16 2HG2 THR 16 -9.491 -0.048 -2.830
113 3HG2 THR 16 3HG2 THR 16 -10.257 0.206 -4.397
114 H CYS 17 H CYS 17 -8.315 1.846 0.374
115 HA CYS 17 HA CYS 17 -5.699 1.309 -0.487
116 1HB CYS 17 2HB CYS 17 -7.386 0.485 1.868
117 2HB CYS 17 1HB CYS 17 -5.703 -0.030 1.748
118 H ASN 18 H ASN 18 -4.730 -0.409 -1.458
119 HA ASN 18 HA ASN 18 -6.299 -2.950 -1.764
120 1HB ASN 18 2HB ASN 18 -5.209 -1.188 -3.640
121 2HB ASN 18 1HB ASN 18 -4.045 -2.513 -3.577
122 1HD2 ASN 18 1HD2 ASN 18 -5.619 -2.149 -5.906
123 2HD2 ASN 18 2HD2 ASN 18 -6.731 -3.425 -6.029
124 H CYS 19 H CYS 19 -5.337 -4.787 -0.914
125 HA CYS 19 HA CYS 19 -2.842 -4.519 0.597
126 1HB CYS 19 2HB CYS 19 -4.744 -5.768 1.436
127 2HB CYS 19 1HB CYS 19 -4.777 -6.767 -0.014
128 H THR 20 H THR 20 -1.067 -6.177 0.284
129 HA THR 20 HA THR 20 -0.784 -6.989 -2.595
130 HB THR 20 HB THR 20 1.772 -6.399 -1.582
131 HG1 THR 20 1HG THR 20 1.290 -4.144 -0.951
132 1HG2 THR 20 1HG2 THR 20 0.698 -4.150 -3.000
133 2HG2 THR 20 2HG2 THR 20 0.045 -5.628 -3.705
134 3HG2 THR 20 3HG2 THR 20 1.790 -5.401 -3.593
135 HA PRO 21 HA PRO 21 0.699 -10.836 -1.071
136 1HB PRO 21 2HB PRO 21 3.014 -11.312 -2.455
137 2HB PRO 21 1HB PRO 21 1.407 -11.392 -3.203
138 1HG PRO 21 2HG PRO 21 3.444 -9.230 -3.321
139 2HG PRO 21 1HG PRO 21 2.340 -9.812 -4.576
140 1HD PRO 21 2HD PRO 21 1.938 -7.523 -3.128
141 2HD PRO 21 1HD PRO 21 0.632 -8.468 -3.877
142 H THR 22 H THR 22 1.293 -8.939 0.782
143 HA THR 22 HA THR 22 3.293 -9.948 2.434
144 HB THR 22 HB THR 22 5.003 -9.527 0.849
145 HG1 THR 22 1HG THR 22 5.145 -7.015 2.010
146 1HG2 THR 22 1HG2 THR 22 4.836 -6.855 0.056
147 2HG2 THR 22 2HG2 THR 22 3.170 -7.431 -0.006
148 3HG2 THR 22 3HG2 THR 22 4.426 -8.261 -0.926
149 H GLY 23 H GLY 23 0.794 -8.690 2.730
150 1HA GLY 23 2HA GLY 23 -0.258 -7.113 4.092
151 2HA GLY 23 1HA GLY 23 1.307 -6.785 4.786
152 H VAL 24 H VAL 24 1.226 -4.537 4.782
153 HA VAL 24 HA VAL 24 1.268 -2.350 3.904
154 HB VAL 24 HB VAL 24 2.265 -3.789 1.432
155 1HG1 VAL 24 1HG1 VAL 24 2.332 -1.042 2.509
156 2HG1 VAL 24 2HG1 VAL 24 2.506 -1.603 0.845
157 3HG1 VAL 24 3HG1 VAL 24 3.891 -1.638 1.937
158 1HG2 VAL 24 1HG2 VAL 24 3.284 -4.731 3.522
159 2HG2 VAL 24 2HG2 VAL 24 3.820 -3.105 3.948
160 3HG2 VAL 24 3HG2 VAL 24 4.454 -3.892 2.503
161 H TRP 25 H TRP 25 0.426 -0.967 2.027
162 HA TRP 25 HA TRP 25 -1.778 -2.244 0.490
163 1HB TRP 25 2HB TRP 25 -2.026 0.005 2.509
164 2HB TRP 25 1HB TRP 25 -3.294 -0.407 1.355
165 HD1 TRP 25 HD TRP 25 -1.361 -1.909 4.319
166 HE1 TRP 25 1HE TRP 25 -2.807 -3.770 5.368
167 HE3 TRP 25 3HE TRP 25 -5.214 -2.028 0.969
168 HZ2 TRP 25 2HZ TRP 25 -5.274 -5.126 4.853
169 HZ3 TRP 25 3HZ TRP 25 -7.096 -3.612 1.271
170 HH2 TRP 25 HH TRP 25 -7.131 -5.160 3.208
171 H ALA 26 H ALA 26 -2.934 -0.055 -0.607
172 HA ALA 26 HA ALA 26 -0.682 1.546 -1.775
173 1HB ALA 26 1HB ALA 26 -1.562 -0.317 -3.225
174 2HB ALA 26 2HB ALA 26 -1.777 1.281 -3.940
175 3HB ALA 26 3HB ALA 26 -3.144 0.461 -3.185
176 H CYS 27 H CYS 27 -4.257 1.478 -1.935
177 HA CYS 27 HA CYS 27 -5.842 3.150 -1.408
178 1HB CYS 27 2HB CYS 27 -3.555 4.637 -0.104
179 2HB CYS 27 1HB CYS 27 -5.254 4.620 0.361
180 H THR 28 H THR 28 -6.433 5.328 -2.084
181 HA THR 28 HA THR 28 -4.505 6.855 -3.733
182 HB THR 28 HB THR 28 -5.334 5.207 -5.297
183 HG1 THR 28 1HG THR 28 -5.341 7.117 -6.312
184 1HG2 THR 28 1HG2 THR 28 -8.173 5.836 -5.152
185 2HG2 THR 28 2HG2 THR 28 -7.569 5.178 -3.632
186 3HG2 THR 28 3HG2 THR 28 -7.373 4.264 -5.127
187 H ARG 29 H ARG 29 -5.112 9.061 -3.793
188 HA ARG 29 HA ARG 29 -7.666 9.726 -2.360
189 1HB ARG 29 2HB ARG 29 -5.128 10.238 -1.596
190 2HB ARG 29 1HB ARG 29 -5.427 11.675 -2.576
191 1HG ARG 29 2HG ARG 29 -7.225 12.374 -1.229
192 2HG ARG 29 1HG ARG 29 -7.440 10.770 -0.528
193 1HD ARG 29 2HD ARG 29 -4.774 11.570 0.068
194 2HD ARG 29 1HD ARG 29 -5.838 12.931 0.477
195 HE ARG 29 HE ARG 29 -6.877 10.326 1.322
196 1HH1 ARG 29 1HH1 ARG 29 -7.424 12.943 2.699
197 2HH1 ARG 29 2HH1 ARG 29 -6.470 12.795 4.138
198 1HH2 ARG 29 1HH2 ARG 29 -4.554 10.176 2.915
199 2HH2 ARG 29 2HH2 ARG 29 -4.847 11.226 4.261
200 H LYS 30 H LYS 30 -7.024 12.603 -3.104
201 HA LYS 30 HA LYS 30 -7.428 14.123 -4.876
202 1HB LYS 30 2HB LYS 30 -6.166 11.961 -6.024
203 2HB LYS 30 1HB LYS 30 -7.673 12.032 -6.940
204 1HG LYS 30 2HG LYS 30 -7.271 14.433 -7.399
205 2HG LYS 30 1HG LYS 30 -5.744 14.335 -6.520
206 1HD LYS 30 2HD LYS 30 -6.059 12.262 -8.583
207 2HD LYS 30 1HD LYS 30 -6.026 13.905 -9.224
208 1HE LYS 30 2HE LYS 30 -3.806 14.124 -8.784
209 2HE LYS 30 1HE LYS 30 -3.994 13.460 -7.148
210 1HZ LYS 30 1HZ LYS 30 -3.743 11.986 -9.704
211 2HZ LYS 30 2HZ LYS 30 -4.382 11.256 -8.309
212 3HZ LYS 30 3HZ LYS 30 -2.786 11.839 -8.311
213 H GLY 31 H GLY 31 -9.577 13.714 -3.442
214 1HA GLY 31 2HA GLY 31 -11.919 13.918 -3.588
215 2HA GLY 31 1HA GLY 31 -11.774 13.756 -5.341
216 H CYS 32 H CYS 32 -13.843 12.455 -4.051
217 HA CYS 32 HA CYS 32 -12.954 9.595 -3.918
218 1HB CYS 32 2HB CYS 32 -15.697 10.385 -3.071
219 2HB CYS 32 1HB CYS 32 -14.560 9.287 -2.297
220 HA PRO 33 HA PRO 33 -15.089 9.759 -7.906
221 1HB PRO 33 2HB PRO 33 -13.855 7.539 -8.924
222 2HB PRO 33 1HB PRO 33 -13.116 9.152 -8.940
223 1HG PRO 33 2HG PRO 33 -12.608 6.855 -7.126
224 2HG PRO 33 1HG PRO 33 -11.480 8.051 -7.778
225 1HD PRO 33 2HD PRO 33 -12.483 8.112 -5.225
226 2HD PRO 33 1HD PRO 33 -11.890 9.540 -6.098
227 HA PRO 34 HA PRO 34 -17.986 6.747 -6.257
228 1HB PRO 34 2HB PRO 34 -20.098 7.572 -7.796
229 2HB PRO 34 1HB PRO 34 -19.598 8.402 -6.308
230 1HG PRO 34 2HG PRO 34 -19.080 9.129 -9.144
231 2HG PRO 34 1HG PRO 34 -19.410 10.167 -7.751
232 1HD PRO 34 2HD PRO 34 -16.914 9.762 -8.801
233 2HD PRO 34 1HD PRO 34 -17.221 10.224 -7.112
234 H HIS 35 H HIS 35 -19.062 7.336 -9.575
235 HA HIS 35 HA HIS 35 -19.431 4.727 -10.404
236 1HB HIS 35 2HB HIS 35 -19.661 7.101 -11.556
237 2HB HIS 35 1HB HIS 35 -18.096 6.683 -12.253
238 HD1 HIS 35 1HD HIS 35 -20.963 6.814 -13.770
239 HD2 HIS 35 2HD HIS 35 -18.895 3.385 -12.614
240 HE1 HIS 35 1HE HIS 35 -21.802 4.939 -15.250
Start of MODEL 10
1 1H GLU 1 1HT GLU 1 4.716 -12.661 11.747
2 2H GLU 1 2HT GLU 1 5.960 -11.725 12.431
3 3H GLU 1 3HT GLU 1 6.083 -12.266 10.824
4 HA GLU 1 HA GLU 1 4.513 -10.048 11.923
5 1HB GLU 1 2HB GLU 1 6.432 -10.738 9.752
6 2HB GLU 1 1HB GLU 1 5.256 -9.474 9.390
7 1HG GLU 1 2HG GLU 1 5.929 -8.285 11.468
8 2HG GLU 1 1HG GLU 1 7.155 -9.521 11.753
9 H GLN 2 H GLN 2 2.542 -9.425 10.964
10 HA GLN 2 HA GLN 2 1.441 -10.918 8.682
11 1HB GLN 2 2HB GLN 2 1.059 -12.441 10.567
12 2HB GLN 2 1HB GLN 2 0.306 -11.139 11.489
13 1HG GLN 2 2HG GLN 2 -1.633 -11.189 10.246
14 2HG GLN 2 1HG GLN 2 -0.801 -11.707 8.778
15 1HE2 GLN 2 1HE2 GLN 2 -0.782 -13.941 8.320
16 2HE2 GLN 2 2HE2 GLN 2 -1.370 -15.132 9.377
17 H GLU 3 H GLU 3 0.054 -9.566 7.587
18 HA GLU 3 HA GLU 3 -1.318 -7.376 9.075
19 1HB GLU 3 2HB GLU 3 -0.358 -6.356 6.571
20 2HB GLU 3 1HB GLU 3 0.038 -5.795 8.188
21 1HG GLU 3 2HG GLU 3 2.100 -6.373 7.046
22 2HG GLU 3 1HG GLU 3 1.813 -7.571 8.305
23 H CYS 4 H CYS 4 -0.744 -8.482 5.751
24 HA CYS 4 HA CYS 4 -3.408 -9.454 5.281
25 1HB CYS 4 2HB CYS 4 -4.087 -7.163 5.456
26 2HB CYS 4 1HB CYS 4 -2.676 -6.603 4.553
27 H THR 5 H THR 5 -3.643 -9.882 2.850
28 HA THR 5 HA THR 5 -1.116 -9.727 1.344
29 HB THR 5 HB THR 5 -2.073 -12.447 1.365
30 HG1 THR 5 1HG THR 5 -2.703 -12.272 3.409
31 1HG2 THR 5 1HG2 THR 5 0.443 -12.284 2.566
32 2HG2 THR 5 2HG2 THR 5 0.387 -10.927 1.442
33 3HG2 THR 5 3HG2 THR 5 0.113 -12.568 0.857
34 HA PRO 6 HA PRO 6 -4.440 -11.519 -1.605
35 1HB PRO 6 2HB PRO 6 -6.944 -11.984 -0.572
36 2HB PRO 6 1HB PRO 6 -5.672 -13.224 -0.644
37 1HG PRO 6 2HG PRO 6 -6.487 -11.485 1.646
38 2HG PRO 6 1HG PRO 6 -6.122 -13.219 1.626
39 1HD PRO 6 2HD PRO 6 -4.328 -11.440 2.492
40 2HD PRO 6 1HD PRO 6 -3.832 -12.875 1.573
41 H GLY 7 H GLY 7 -4.698 -9.594 -2.669
42 1HA GLY 7 2HA GLY 7 -5.510 -7.130 -1.671
43 2HA GLY 7 1HA GLY 7 -5.732 -7.608 -3.355
44 H GLN 8 H GLN 8 -7.288 -7.300 -0.241
45 HA GLN 8 HA GLN 8 -9.881 -8.167 -1.443
46 1HB GLN 8 2HB GLN 8 -8.992 -7.692 1.421
47 2HB GLN 8 1HB GLN 8 -10.590 -8.279 0.944
48 1HG GLN 8 2HG GLN 8 -8.426 -9.821 -0.275
49 2HG GLN 8 1HG GLN 8 -8.375 -9.867 1.488
50 1HE2 GLN 8 1HE2 GLN 8 -9.354 -11.854 2.009
51 2HE2 GLN 8 2HE2 GLN 8 -10.875 -12.347 1.440
52 H THR 9 H THR 9 -8.105 -5.431 -1.040
53 HA THR 9 HA THR 9 -8.643 -3.159 -1.063
54 HB THR 9 HB THR 9 -11.474 -3.534 -1.653
55 HG1 THR 9 1HG THR 9 -11.191 -5.419 -2.559
56 1HG2 THR 9 1HG2 THR 9 -10.907 -2.270 -3.600
57 2HG2 THR 9 2HG2 THR 9 -9.208 -2.729 -3.485
58 3HG2 THR 9 3HG2 THR 9 -9.907 -1.630 -2.295
59 H LYS 10 H LYS 10 -9.651 -1.530 0.268
60 HA LYS 10 HA LYS 10 -11.085 -2.646 2.655
61 1HB LYS 10 2HB LYS 10 -9.531 -0.057 2.526
62 2HB LYS 10 1HB LYS 10 -9.908 -1.037 3.942
63 1HG LYS 10 2HG LYS 10 -8.491 -2.878 2.808
64 2HG LYS 10 1HG LYS 10 -7.887 -1.585 1.770
65 1HD LYS 10 2HD LYS 10 -6.328 -1.499 3.487
66 2HD LYS 10 1HD LYS 10 -7.522 -0.346 4.084
67 1HE LYS 10 2HE LYS 10 -8.622 -2.408 5.238
68 2HE LYS 10 1HE LYS 10 -7.049 -3.187 4.976
69 1HZ LYS 10 1HZ LYS 10 -7.565 -1.586 7.051
70 2HZ LYS 10 2HZ LYS 10 -6.951 -0.454 5.944
71 3HZ LYS 10 3HZ LYS 10 -6.016 -1.799 6.395
72 H LYS 11 H LYS 11 -11.660 0.120 3.550
73 HA LYS 11 HA LYS 11 -13.401 1.251 1.447
74 1HB LYS 11 2HB LYS 11 -15.429 0.912 2.822
75 2HB LYS 11 1HB LYS 11 -14.678 -0.632 2.425
76 1HG LYS 11 2HG LYS 11 -14.664 -1.075 4.637
77 2HG LYS 11 1HG LYS 11 -13.417 0.162 4.791
78 1HD LYS 11 2HD LYS 11 -14.869 1.283 6.109
79 2HD LYS 11 1HD LYS 11 -15.781 1.627 4.638
80 1HE LYS 11 2HE LYS 11 -17.295 -0.146 5.013
81 2HE LYS 11 1HE LYS 11 -16.193 -0.966 6.137
82 1HZ LYS 11 1HZ LYS 11 -17.900 1.366 6.582
83 2HZ LYS 11 2HZ LYS 11 -16.382 1.361 7.346
84 3HZ LYS 11 3HZ LYS 11 -17.491 0.109 7.643
85 H GLN 12 H GLN 12 -11.510 2.806 2.223
86 HA GLN 12 HA GLN 12 -12.249 4.269 4.710
87 1HB GLN 12 2HB GLN 12 -9.857 3.905 2.970
88 2HB GLN 12 1HB GLN 12 -10.004 5.456 3.796
89 1HG GLN 12 2HG GLN 12 -10.676 3.372 5.646
90 2HG GLN 12 1HG GLN 12 -9.132 2.977 4.890
91 1HE2 GLN 12 1HE2 GLN 12 -7.617 3.631 6.465
92 2HE2 GLN 12 2HE2 GLN 12 -7.553 5.190 7.132
93 H ASP 13 H ASP 13 -13.969 4.472 2.350
94 HA ASP 13 HA ASP 13 -15.076 6.171 1.136
95 1HB ASP 13 2HB ASP 13 -14.069 7.219 3.572
96 2HB ASP 13 1HB ASP 13 -13.737 8.434 2.334
97 H CYS 14 H CYS 14 -14.336 6.201 -0.967
98 HA CYS 14 HA CYS 14 -13.112 6.969 -2.842
99 1HB CYS 14 2HB CYS 14 -11.639 8.751 -0.895
100 2HB CYS 14 1HB CYS 14 -12.025 9.066 -2.584
101 H ASN 15 H ASN 15 -10.749 7.271 -0.173
102 HA ASN 15 HA ASN 15 -8.546 6.188 -1.599
103 1HB ASN 15 2HB ASN 15 -9.319 6.912 1.141
104 2HB ASN 15 1HB ASN 15 -8.094 5.641 1.075
105 1HD2 ASN 15 1HD2 ASN 15 -6.007 6.167 0.134
106 2HD2 ASN 15 2HD2 ASN 15 -5.549 7.782 -0.177
107 H THR 16 H THR 16 -9.142 4.203 -2.644
108 HA THR 16 HA THR 16 -10.176 1.961 -1.027
109 HB THR 16 HB THR 16 -9.158 1.569 -3.790
110 HG1 THR 16 1HG THR 16 -9.985 3.407 -4.391
111 1HG2 THR 16 1HG2 THR 16 -10.628 -0.115 -3.568
112 2HG2 THR 16 2HG2 THR 16 -11.935 1.069 -3.498
113 3HG2 THR 16 3HG2 THR 16 -11.159 0.523 -2.011
114 H CYS 17 H CYS 17 -8.464 1.477 0.432
115 HA CYS 17 HA CYS 17 -5.698 1.282 -0.254
116 1HB CYS 17 2HB CYS 17 -7.483 0.814 1.960
117 2HB CYS 17 1HB CYS 17 -6.326 -0.513 1.849
118 H ASN 18 H ASN 18 -4.856 -0.149 -1.716
119 HA ASN 18 HA ASN 18 -6.189 -2.772 -2.168
120 1HB ASN 18 2HB ASN 18 -4.100 -1.079 -3.543
121 2HB ASN 18 1HB ASN 18 -4.321 -2.769 -3.997
122 1HD2 ASN 18 1HD2 ASN 18 -5.742 -2.994 -5.722
123 2HD2 ASN 18 2HD2 ASN 18 -7.069 -1.984 -6.036
124 H CYS 19 H CYS 19 -5.237 -4.695 -1.416
125 HA CYS 19 HA CYS 19 -2.789 -4.389 0.243
126 1HB CYS 19 2HB CYS 19 -4.949 -5.444 1.032
127 2HB CYS 19 1HB CYS 19 -4.651 -6.752 -0.110
128 H THR 20 H THR 20 -1.034 -5.955 0.028
129 HA THR 20 HA THR 20 -0.888 -7.272 -2.669
130 HB THR 20 HB THR 20 1.701 -6.450 -1.806
131 HG1 THR 20 1HG THR 20 0.902 -4.069 -1.968
132 1HG2 THR 20 1HG2 THR 20 0.648 -4.686 -3.791
133 2HG2 THR 20 2HG2 THR 20 -0.010 -6.297 -4.084
134 3HG2 THR 20 3HG2 THR 20 1.736 -6.056 -4.014
135 HA PRO 21 HA PRO 21 0.721 -10.798 -0.600
136 1HB PRO 21 2HB PRO 21 3.164 -11.338 -1.724
137 2HB PRO 21 1HB PRO 21 1.624 -11.620 -2.562
138 1HG PRO 21 2HG PRO 21 3.524 -9.333 -2.817
139 2HG PRO 21 1HG PRO 21 2.635 -10.206 -4.078
140 1HD PRO 21 2HD PRO 21 1.843 -7.793 -3.153
141 2HD PRO 21 1HD PRO 21 0.689 -9.027 -3.712
142 H THR 22 H THR 22 1.088 -8.634 1.014
143 HA THR 22 HA THR 22 3.016 -9.332 2.912
144 HB THR 22 HB THR 22 4.763 -8.947 1.309
145 HG1 THR 22 1HG THR 22 5.809 -7.728 2.630
146 1HG2 THR 22 1HG2 THR 22 4.874 -6.773 0.044
147 2HG2 THR 22 2HG2 THR 22 3.263 -6.397 0.651
148 3HG2 THR 22 3HG2 THR 22 3.503 -7.784 -0.409
149 H GLY 23 H GLY 23 0.421 -8.244 2.964
150 1HA GLY 23 2HA GLY 23 -0.852 -6.404 3.741
151 2HA GLY 23 1HA GLY 23 0.450 -6.304 4.920
152 H VAL 24 H VAL 24 1.006 -4.191 5.068
153 HA VAL 24 HA VAL 24 1.917 -2.113 4.434
154 HB VAL 24 HB VAL 24 2.242 -3.469 1.742
155 1HG1 VAL 24 1HG1 VAL 24 2.925 -0.870 2.799
156 2HG1 VAL 24 2HG1 VAL 24 3.156 -1.497 1.166
157 3HG1 VAL 24 3HG1 VAL 24 4.392 -1.762 2.394
158 1HG2 VAL 24 1HG2 VAL 24 3.210 -4.418 4.123
159 2HG2 VAL 24 2HG2 VAL 24 4.509 -3.329 3.635
160 3HG2 VAL 24 3HG2 VAL 24 4.014 -4.646 2.571
161 H TRP 25 H TRP 25 -0.168 -3.437 1.814
162 HA TRP 25 HA TRP 25 -1.956 -2.430 0.660
163 1HB TRP 25 2HB TRP 25 -1.829 -0.724 3.166
164 2HB TRP 25 1HB TRP 25 -3.129 -0.627 1.984
165 HD1 TRP 25 HD TRP 25 -1.646 -2.917 4.644
166 HE1 TRP 25 1HE TRP 25 -3.359 -4.763 5.198
167 HE3 TRP 25 3HE TRP 25 -5.134 -2.002 1.024
168 HZ2 TRP 25 2HZ TRP 25 -5.876 -5.722 4.235
169 HZ3 TRP 25 3HZ TRP 25 -7.176 -3.399 0.865
170 HH2 TRP 25 HH TRP 25 -7.549 -5.258 2.464
171 H ALA 26 H ALA 26 -2.667 0.193 0.244
172 HA ALA 26 HA ALA 26 -0.232 1.778 -0.354
173 1HB ALA 26 1HB ALA 26 -0.535 0.152 -2.218
174 2HB ALA 26 2HB ALA 26 -0.764 1.817 -2.756
175 3HB ALA 26 3HB ALA 26 -2.163 0.781 -2.474
176 H CYS 27 H CYS 27 -3.715 1.521 -1.125
177 HA CYS 27 HA CYS 27 -5.449 3.090 -0.874
178 1HB CYS 27 2HB CYS 27 -3.432 3.633 1.166
179 2HB CYS 27 1HB CYS 27 -4.322 5.089 0.720
180 H THR 28 H THR 28 -6.121 4.888 -2.061
181 HA THR 28 HA THR 28 -4.008 6.665 -3.222
182 HB THR 28 HB THR 28 -5.729 6.382 -5.292
183 HG1 THR 28 1HG THR 28 -5.626 3.756 -4.384
184 1HG2 THR 28 1HG2 THR 28 -4.129 4.267 -5.800
185 2HG2 THR 28 2HG2 THR 28 -3.249 4.985 -4.451
186 3HG2 THR 28 3HG2 THR 28 -3.570 5.937 -5.901
187 H ARG 29 H ARG 29 -4.603 8.641 -2.349
188 HA ARG 29 HA ARG 29 -7.465 9.303 -1.966
189 1HB ARG 29 2HB ARG 29 -5.334 9.738 -0.445
190 2HB ARG 29 1HB ARG 29 -5.164 11.166 -1.467
191 1HG ARG 29 2HG ARG 29 -7.915 10.935 -0.716
192 2HG ARG 29 1HG ARG 29 -6.932 10.786 0.742
193 1HD ARG 29 2HD ARG 29 -5.755 12.867 -0.782
194 2HD ARG 29 1HD ARG 29 -7.504 13.165 -0.785
195 HE ARG 29 HE ARG 29 -6.907 12.410 1.837
196 1HH1 ARG 29 1HH2 ARG 29 -4.306 13.861 1.050
197 2HH1 ARG 29 2HH2 ARG 29 -4.645 15.456 1.634
198 1HH2 ARG 29 1HH1 ARG 29 -8.047 14.895 1.979
199 2HH2 ARG 29 2HH1 ARG 29 -6.762 16.041 2.163
200 H LYS 30 H LYS 30 -8.589 10.524 -3.444
201 HA LYS 30 HA LYS 30 -7.453 12.689 -4.960
202 1HB LYS 30 2HB LYS 30 -7.540 11.505 -7.190
203 2HB LYS 30 1HB LYS 30 -6.278 10.908 -6.114
204 1HG LYS 30 2HG LYS 30 -7.996 9.157 -5.343
205 2HG LYS 30 1HG LYS 30 -8.941 9.633 -6.755
206 1HD LYS 30 2HD LYS 30 -6.187 9.235 -7.519
207 2HD LYS 30 1HD LYS 30 -6.785 7.804 -6.680
208 1HE LYS 30 2HE LYS 30 -7.450 7.375 -8.896
209 2HE LYS 30 1HE LYS 30 -8.903 8.153 -8.238
210 1HZ LYS 30 1HZ LYS 30 -7.574 10.304 -8.888
211 2HZ LYS 30 2HZ LYS 30 -8.527 9.489 -10.035
212 3HZ LYS 30 3HZ LYS 30 -6.844 9.260 -10.008
213 H GLY 31 H GLY 31 -9.902 10.086 -5.141
214 1HA GLY 31 2HA GLY 31 -12.069 12.025 -5.047
215 2HA GLY 31 1HA GLY 31 -11.877 11.310 -6.651
216 H CYS 32 H CYS 32 -14.231 10.772 -5.490
217 HA CYS 32 HA CYS 32 -13.936 8.044 -4.285
218 1HB CYS 32 2HB CYS 32 -15.344 10.380 -3.529
219 2HB CYS 32 1HB CYS 32 -16.566 9.221 -4.064
220 HA PRO 33 HA PRO 33 -15.642 7.031 -8.341
221 1HB PRO 33 2HB PRO 33 -14.958 4.385 -8.214
222 2HB PRO 33 1HB PRO 33 -13.808 5.655 -8.676
223 1HG PRO 33 2HG PRO 33 -14.133 4.250 -6.076
224 2HG PRO 33 1HG PRO 33 -12.657 4.781 -6.896
225 1HD PRO 33 2HD PRO 33 -13.803 6.118 -4.802
226 2HD PRO 33 1HD PRO 33 -12.786 6.894 -6.037
227 HA PRO 34 HA PRO 34 -19.464 5.526 -6.686
228 1HB PRO 34 2HB PRO 34 -20.718 4.999 -9.061
229 2HB PRO 34 1HB PRO 34 -20.492 6.643 -8.433
230 1HG PRO 34 2HG PRO 34 -18.956 5.189 -10.525
231 2HG PRO 34 1HG PRO 34 -19.431 6.892 -10.452
232 1HD PRO 34 2HD PRO 34 -16.921 5.997 -9.859
233 2HD PRO 34 1HD PRO 34 -17.629 7.476 -9.172
234 H HIS 35 H HIS 35 -17.490 3.699 -8.941
235 HA HIS 35 HA HIS 35 -18.754 1.168 -7.935
236 1HB HIS 35 2HB HIS 35 -18.079 2.210 -10.612
237 2HB HIS 35 1HB HIS 35 -17.562 0.547 -10.335
238 HD1 HIS 35 1HD HIS 35 -19.536 0.019 -12.146
239 HD2 HIS 35 2HD HIS 35 -20.775 1.345 -8.393
240 HE1 HIS 35 1HE HIS 35 -21.990 -0.574 -11.951
Contact the webmaster for help, if required. Thursday, May 2, 2024 1:03:18 AM GMT (wattos1)