Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
608548 | 5kwz RC | 30143 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H HIS 1 H HIS 1 1.929 8.250 -0.321
2 HA HIS 1 HA HIS 1 2.201 7.720 2.533
3 HB2 HIS 1 2HB HIS 1 2.809 10.143 0.854
4 HB3 HIS 1 1HB HIS 1 2.843 10.178 2.613
5 HD1 HIS 1 1HD HIS 1 4.671 8.518 -0.321
6 HD2 HIS 1 2HD HIS 1 5.056 9.194 3.765
7 HE1 HIS 1 1HE HIS 1 7.001 7.818 0.289
8 H ASP 2 H ASP 2 0.019 8.953 0.237
9 HA ASP 2 HA ASP 2 -1.593 10.373 2.150
10 HB2 ASP 2 2HB ASP 2 -2.468 9.370 -0.577
11 HB3 ASP 2 1HB ASP 2 -3.299 10.539 0.417
12 HA PRO 3 HA PRO 3 -3.401 6.874 4.145
13 HB2 PRO 3 2HB PRO 3 -5.850 8.577 4.083
14 HB3 PRO 3 1HB PRO 3 -5.122 7.717 5.445
15 HG2 PRO 3 2HG PRO 3 -4.795 10.327 5.221
16 HG3 PRO 3 1HG PRO 3 -3.438 9.298 5.711
17 HD2 PRO 3 2HD PRO 3 -3.939 10.595 3.043
18 HD3 PRO 3 1HD PRO 3 -2.423 10.314 3.927
19 H GLU 4 H GLU 4 -5.362 8.472 1.706
20 HA GLU 4 HA GLU 4 -7.246 6.510 1.096
21 HB2 GLU 4 2HB GLU 4 -5.884 8.375 -0.844
22 HB3 GLU 4 1HB GLU 4 -7.434 7.590 -1.082
23 HG2 GLU 4 2HG GLU 4 -8.423 8.904 0.675
24 HG3 GLU 4 1HG GLU 4 -6.855 9.602 1.080
25 H LYS 5 H LYS 5 -4.176 7.149 -0.537
26 HA LYS 5 HA LYS 5 -4.403 4.876 -2.194
27 HB2 LYS 5 2HB LYS 5 -2.159 6.789 -1.724
28 HB3 LYS 5 1HB LYS 5 -1.935 5.369 -2.740
29 HG2 LYS 5 2HG LYS 5 -3.892 6.191 -4.110
30 HG3 LYS 5 1HG LYS 5 -3.815 7.683 -3.169
31 HD2 LYS 5 2HD LYS 5 -1.508 6.560 -4.766
32 HD3 LYS 5 1HD LYS 5 -2.630 7.771 -5.375
33 HE2 LYS 5 2HE LYS 5 -0.956 8.129 -2.890
34 HE3 LYS 5 1HE LYS 5 -0.470 8.688 -4.484
35 HZ1 LYS 5 1HZ LYS 5 -2.331 10.155 -4.556
36 HZ2 LYS 5 2HZ LYS 5 -1.555 10.395 -3.063
37 HZ3 LYS 5 3HZ LYS 5 -2.976 9.527 -3.135
38 H ARG 6 H ARG 6 -2.676 5.427 0.836
39 HA ARG 6 HA ARG 6 -1.363 2.909 0.521
40 HB2 ARG 6 2HB ARG 6 -0.499 3.157 2.795
41 HB3 ARG 6 1HB ARG 6 -0.198 4.575 1.810
42 HG2 ARG 6 2HG ARG 6 -2.055 5.707 2.913
43 HG3 ARG 6 1HG ARG 6 -2.306 4.282 3.929
44 HD2 ARG 6 2HD ARG 6 -0.010 4.483 4.752
45 HD3 ARG 6 1HD ARG 6 0.205 5.914 3.743
46 HE ARG 6 HE ARG 6 -1.973 6.000 5.612
47 HH11 ARG 6 1HH1 ARG 6 1.439 6.789 5.007
48 HH12 ARG 6 2HH1 ARG 6 1.528 7.989 6.195
49 HH21 ARG 6 1HH2 ARG 6 -1.838 7.661 7.261
50 HH22 ARG 6 2HH2 ARG 6 -0.379 8.501 7.500
51 H LYS 7 H LYS 7 -4.318 3.933 2.049
52 HA LYS 7 HA LYS 7 -4.923 1.568 3.434
53 HB2 LYS 7 2HB LYS 7 -6.273 3.723 3.494
54 HB3 LYS 7 1HB LYS 7 -6.804 3.317 1.863
55 HG2 LYS 7 2HG LYS 7 -8.529 2.717 3.413
56 HG3 LYS 7 1HG LYS 7 -7.824 1.253 2.725
57 HD2 LYS 7 2HD LYS 7 -6.461 0.998 4.747
58 HD3 LYS 7 1HD LYS 7 -7.214 2.437 5.431
59 HE2 LYS 7 2HE LYS 7 -8.560 -0.161 4.704
60 HE3 LYS 7 1HE LYS 7 -8.294 0.477 6.323
61 HZ1 LYS 7 1HZ LYS 7 -10.094 1.631 4.248
62 HZ2 LYS 7 2HZ LYS 7 -9.772 2.347 5.738
63 HZ3 LYS 7 3HZ LYS 7 -10.545 0.859 5.673
64 H GLU 8 H GLU 8 -5.667 2.667 0.145
65 HA GLU 8 HA GLU 8 -6.757 0.301 -0.719
66 HB2 GLU 8 2HB GLU 8 -5.416 2.518 -2.223
67 HB3 GLU 8 1HB GLU 8 -6.028 1.096 -3.054
68 HG2 GLU 8 2HG GLU 8 -7.671 2.953 -1.338
69 HG3 GLU 8 1HG GLU 8 -7.612 2.973 -3.100
70 H CYS 9 H CYS 9 -3.364 1.252 -0.581
71 HA CYS 9 HA CYS 9 -2.273 -0.897 -2.020
72 HB2 CYS 9 2HB CYS 9 -1.065 0.585 0.322
73 HB3 CYS 9 1HB CYS 9 -0.215 -0.597 -0.638
74 H GLU 10 H GLU 10 -2.897 -0.615 1.478
75 HA GLU 10 HA GLU 10 -1.909 -3.234 2.018
76 HB2 GLU 10 2HB GLU 10 -3.698 -1.494 3.725
77 HB3 GLU 10 1HB GLU 10 -2.752 -2.867 4.281
78 HG2 GLU 10 2HG GLU 10 -0.687 -1.659 3.695
79 HG3 GLU 10 1HG GLU 10 -1.657 -0.278 3.191
80 H LYS 11 H LYS 11 -4.898 -1.911 1.128
81 HA LYS 11 HA LYS 11 -6.621 -4.058 1.828
82 HB2 LYS 11 2HB LYS 11 -7.376 -1.802 1.549
83 HB3 LYS 11 1HB LYS 11 -6.791 -1.774 -0.096
84 HG2 LYS 11 2HG LYS 11 -8.512 -3.372 -0.730
85 HG3 LYS 11 1HG LYS 11 -9.110 -3.383 0.941
86 HD2 LYS 11 2HD LYS 11 -9.480 -0.999 0.849
87 HD3 LYS 11 1HD LYS 11 -8.821 -0.936 -0.774
88 HE2 LYS 11 2HE LYS 11 -10.659 -2.302 -1.575
89 HE3 LYS 11 1HE LYS 11 -11.320 -2.376 0.063
90 HZ1 LYS 11 1HZ LYS 11 -11.680 -0.073 0.062
91 HZ2 LYS 11 2HZ LYS 11 -12.299 -0.611 -1.427
92 HZ3 LYS 11 3HZ LYS 11 -10.789 0.166 -1.336
93 H LYS 12 H LYS 12 -5.182 -2.974 -1.237
94 HA LYS 12 HA LYS 12 -6.185 -5.189 -2.746
95 HB2 LYS 12 2HB LYS 12 -4.213 -3.012 -3.368
96 HB3 LYS 12 1HB LYS 12 -4.646 -4.253 -4.532
97 HG2 LYS 12 2HG LYS 12 -6.565 -2.281 -3.283
98 HG3 LYS 12 1HG LYS 12 -5.842 -2.130 -4.886
99 HD2 LYS 12 2HD LYS 12 -6.879 -4.337 -5.461
100 HD3 LYS 12 1HD LYS 12 -7.727 -4.274 -3.921
101 HE2 LYS 12 2HE LYS 12 -7.954 -2.206 -6.112
102 HE3 LYS 12 1HE LYS 12 -9.098 -3.509 -5.835
103 HZ1 LYS 12 1HZ LYS 12 -9.548 -2.543 -3.630
104 HZ2 LYS 12 2HZ LYS 12 -9.941 -1.557 -4.904
105 HZ3 LYS 12 3HZ LYS 12 -8.583 -1.187 -4.001
106 H TYR 13 H TYR 13 -3.032 -4.308 -1.410
107 HA TYR 13 HA TYR 13 -1.997 -6.897 -2.283
108 HB2 TYR 13 2HB TYR 13 -0.517 -4.470 -1.251
109 HB3 TYR 13 1HB TYR 13 0.215 -5.962 -1.797
110 HD1 TYR 13 1HD TYR 13 0.135 -6.515 -4.260
111 HD2 TYR 13 2HD TYR 13 -1.090 -2.746 -2.745
112 HE1 TYR 13 1HE TYR 13 0.442 -5.536 -6.484
113 HE2 TYR 13 2HE TYR 13 -0.802 -1.748 -4.961
114 HH TYR 13 HH TYR 13 0.461 -2.164 -7.007
115 H THR 14 H THR 14 -2.666 -8.270 -0.637
116 HA THR 14 HA THR 14 -2.216 -7.431 2.059
117 HB THR 14 HB THR 14 -2.976 -9.873 2.518
118 HG1 THR 14 1HG THR 14 -2.889 -10.843 0.590
119 HG21 THR 14 1HG2 THR 14 -4.343 -7.864 2.881
120 HG22 THR 14 2HG2 THR 14 -5.312 -9.207 2.293
121 HG23 THR 14 3HG2 THR 14 -4.847 -7.907 1.192
122 H ASP 15 H ASP 15 -0.559 -8.950 -0.404
123 HA ASP 15 HA ASP 15 1.345 -10.540 0.919
124 HB2 ASP 15 2HB ASP 15 1.104 -10.487 -1.537
125 HB3 ASP 15 1HB ASP 15 1.667 -8.826 -1.560
126 HA PRO 16 HA PRO 16 3.162 -7.402 3.554
127 HB2 PRO 16 2HB PRO 16 5.431 -9.325 3.265
128 HB3 PRO 16 1HB PRO 16 4.811 -8.538 4.725
129 HG2 PRO 16 2HG PRO 16 4.192 -11.053 4.227
130 HG3 PRO 16 1HG PRO 16 2.957 -9.933 4.835
131 HD2 PRO 16 2HD PRO 16 3.331 -11.026 2.087
132 HD3 PRO 16 1HD PRO 16 1.838 -10.622 2.959
133 H LYS 17 H LYS 17 5.139 -8.793 0.912
134 HA LYS 17 HA LYS 17 6.875 -6.538 0.987
135 HB2 LYS 17 2HB LYS 17 7.703 -8.792 0.358
136 HB3 LYS 17 1HB LYS 17 6.734 -8.715 -1.099
137 HG2 LYS 17 2HG LYS 17 9.096 -8.191 -1.538
138 HG3 LYS 17 1HG LYS 17 8.009 -6.854 -1.925
139 HD2 LYS 17 2HD LYS 17 9.985 -6.014 -0.806
140 HD3 LYS 17 1HD LYS 17 8.585 -5.781 0.230
141 HE2 LYS 17 2HE LYS 17 9.261 -7.961 1.362
142 HE3 LYS 17 1HE LYS 17 10.762 -7.845 0.460
143 HZ1 LYS 17 1HZ LYS 17 9.721 -5.968 2.487
144 HZ2 LYS 17 2HZ LYS 17 11.040 -5.595 1.502
145 HZ3 LYS 17 3HZ LYS 17 11.127 -6.899 2.576
146 H LYS 18 H LYS 18 4.375 -7.637 -1.263
147 HA LYS 18 HA LYS 18 4.549 -5.518 -3.129
148 HB2 LYS 18 2HB LYS 18 2.111 -7.037 -2.196
149 HB3 LYS 18 1HB LYS 18 2.146 -5.975 -3.583
150 HG2 LYS 18 2HG LYS 18 3.885 -8.411 -3.347
151 HG3 LYS 18 1HG LYS 18 2.286 -8.425 -4.087
152 HD2 LYS 18 2HD LYS 18 3.028 -6.763 -5.722
153 HD3 LYS 18 1HD LYS 18 4.626 -6.737 -4.973
154 HE2 LYS 18 2HE LYS 18 4.967 -9.056 -5.517
155 HE3 LYS 18 1HE LYS 18 3.334 -9.188 -6.162
156 HZ1 LYS 18 1HZ LYS 18 5.064 -8.933 -7.875
157 HZ2 LYS 18 2HZ LYS 18 5.455 -7.429 -7.267
158 HZ3 LYS 18 3HZ LYS 18 3.920 -7.686 -7.927
159 H ARG 19 H ARG 19 2.751 -5.858 -0.150
160 HA ARG 19 HA ARG 19 1.465 -3.371 -0.148
161 HB2 ARG 19 2HB ARG 19 0.575 -4.973 1.291
162 HB3 ARG 19 1HB ARG 19 2.142 -5.402 1.939
163 HG2 ARG 19 2HG ARG 19 2.192 -3.497 3.323
164 HG3 ARG 19 1HG ARG 19 0.832 -2.758 2.474
165 HD2 ARG 19 2HD ARG 19 0.386 -3.880 4.745
166 HD3 ARG 19 1HD ARG 19 -0.716 -4.217 3.421
167 HE ARG 19 HE ARG 19 0.659 -6.292 3.106
168 HH11 ARG 19 1HH1 ARG 19 0.469 -4.799 6.306
169 HH12 ARG 19 2HH1 ARG 19 0.423 -6.262 7.157
170 HH21 ARG 19 1HH2 ARG 19 0.497 -8.352 4.291
171 HH22 ARG 19 2HH2 ARG 19 0.439 -8.312 5.996
172 H GLU 20 H GLU 20 4.579 -4.362 1.290
173 HA GLU 20 HA GLU 20 5.263 -1.905 2.406
174 HB2 GLU 20 2HB GLU 20 7.018 -4.040 1.222
175 HB3 GLU 20 1HB GLU 20 7.674 -2.590 1.945
176 HG2 GLU 20 2HG GLU 20 6.517 -3.234 4.062
177 HG3 GLU 20 1HG GLU 20 6.112 -4.770 3.287
178 H GLU 21 H GLU 21 5.797 -3.087 -0.866
179 HA GLU 21 HA GLU 21 7.254 -0.794 -1.661
180 HB2 GLU 21 2HB GLU 21 5.976 -2.983 -3.220
181 HB3 GLU 21 1HB GLU 21 6.832 -1.636 -3.968
182 HG2 GLU 21 2HG GLU 21 7.959 -3.636 -2.008
183 HG3 GLU 21 1HG GLU 21 8.312 -3.549 -3.736
184 H CYS 22 H CYS 22 3.880 -1.611 -1.879
185 HA CYS 22 HA CYS 22 3.332 0.574 -3.570
186 HB2 CYS 22 2HB CYS 22 1.828 -1.398 -3.373
187 HB3 CYS 22 1HB CYS 22 1.414 -0.903 -1.742
188 H LYS 23 H LYS 23 3.055 -0.018 -0.085
189 HA LYS 23 HA LYS 23 2.012 2.486 0.710
190 HB2 LYS 23 2HB LYS 23 1.891 0.343 1.962
191 HB3 LYS 23 1HB LYS 23 3.612 0.431 2.242
192 HG2 LYS 23 2HG LYS 23 3.321 2.352 3.665
193 HG3 LYS 23 1HG LYS 23 1.591 2.402 3.290
194 HD2 LYS 23 2HD LYS 23 1.307 0.168 4.236
195 HD3 LYS 23 1HD LYS 23 3.027 0.092 4.598
196 HE2 LYS 23 2HE LYS 23 2.793 1.943 6.147
197 HE3 LYS 23 1HE LYS 23 1.076 2.080 5.752
198 HZ1 LYS 23 1HZ LYS 23 2.394 -0.269 7.002
199 HZ2 LYS 23 2HZ LYS 23 0.743 -0.141 6.612
200 HZ3 LYS 23 3HZ LYS 23 1.415 0.865 7.790
201 H ARG 24 H ARG 24 5.165 1.322 0.006
202 HA ARG 24 HA ARG 24 6.918 3.161 1.118
203 HB2 ARG 24 2HB ARG 24 7.594 1.153 -0.080
204 HB3 ARG 24 1HB ARG 24 6.936 1.787 -1.570
205 HG2 ARG 24 2HG ARG 24 8.650 3.575 -1.499
206 HG3 ARG 24 1HG ARG 24 9.337 2.788 -0.074
207 HD2 ARG 24 2HD ARG 24 9.735 0.755 -1.354
208 HD3 ARG 24 1HD ARG 24 8.992 1.485 -2.777
209 HE ARG 24 HE ARG 24 11.090 3.072 -1.781
210 HH11 ARG 24 1HH1 ARG 24 10.631 0.037 -3.618
211 HH12 ARG 24 2HH1 ARG 24 12.067 0.261 -4.511
212 HH21 ARG 24 1HH2 ARG 24 13.039 3.291 -3.032
213 HH22 ARG 24 2HH2 ARG 24 13.446 2.115 -4.188
214 H LYS 25 H LYS 25 4.833 3.379 -1.695
215 HA LYS 25 HA LYS 25 5.923 5.989 -2.409
216 HB2 LYS 25 2HB LYS 25 5.617 4.263 -4.164
217 HB3 LYS 25 1HB LYS 25 3.895 4.246 -3.815
218 HG2 LYS 25 2HG LYS 25 3.783 6.621 -4.452
219 HG3 LYS 25 1HG LYS 25 5.486 6.550 -4.910
220 HD2 LYS 25 2HD LYS 25 4.946 4.790 -6.539
221 HD3 LYS 25 1HD LYS 25 3.244 4.915 -6.089
222 HE2 LYS 25 2HE LYS 25 4.939 7.096 -7.288
223 HE3 LYS 25 1HE LYS 25 3.699 6.170 -8.124
224 HZ1 LYS 25 1HZ LYS 25 2.037 7.128 -6.664
225 HZ2 LYS 25 2HZ LYS 25 2.889 8.341 -7.431
226 HZ3 LYS 25 3HZ LYS 25 3.199 8.005 -5.822
227 H ALA 26 H ALA 26 2.975 4.361 -1.440
228 HA ALA 26 HA ALA 26 1.334 6.684 -1.620
229 HB1 ALA 26 1HB ALA 26 -0.410 5.287 -0.733
230 HB2 ALA 26 2HB ALA 26 0.771 4.046 -0.318
231 HB3 ALA 26 3HB ALA 26 0.469 4.446 -2.007
Start of MODEL 2
1 H HIS 1 H HIS 1 1.928 8.597 -1.044
2 HA HIS 1 HA HIS 1 2.398 8.115 1.804
3 HB2 HIS 1 2HB HIS 1 2.577 10.729 0.277
4 HB3 HIS 1 1HB HIS 1 2.771 10.570 2.014
5 HD1 HIS 1 1HD HIS 1 4.704 10.587 -1.037
6 HD2 HIS 1 2HD HIS 1 5.028 8.830 2.706
7 HE1 HIS 1 1HE HIS 1 7.111 9.883 -0.809
8 H ASP 2 H ASP 2 -0.023 8.701 -0.400
9 HA ASP 2 HA ASP 2 -1.736 10.202 1.330
10 HB2 ASP 2 2HB ASP 2 -2.497 8.532 -1.079
11 HB3 ASP 2 1HB ASP 2 -3.573 9.618 -0.223
12 HA PRO 3 HA PRO 3 -2.775 6.889 4.008
13 HB2 PRO 3 2HB PRO 3 -5.212 7.914 4.876
14 HB3 PRO 3 1HB PRO 3 -3.642 8.335 5.554
15 HG2 PRO 3 2HG PRO 3 -5.299 9.805 3.557
16 HG3 PRO 3 1HG PRO 3 -4.313 10.445 4.884
17 HD2 PRO 3 2HD PRO 3 -3.494 10.512 2.324
18 HD3 PRO 3 1HD PRO 3 -2.349 10.274 3.666
19 H GLU 4 H GLU 4 -5.191 8.153 1.771
20 HA GLU 4 HA GLU 4 -6.963 5.964 1.668
21 HB2 GLU 4 2HB GLU 4 -7.546 8.121 0.725
22 HB3 GLU 4 1HB GLU 4 -6.216 8.004 -0.419
23 HG2 GLU 4 2HG GLU 4 -7.376 6.004 -1.395
24 HG3 GLU 4 1HG GLU 4 -8.756 6.401 -0.372
25 H LYS 5 H LYS 5 -4.257 6.853 -0.446
26 HA LYS 5 HA LYS 5 -4.467 4.680 -2.210
27 HB2 LYS 5 2HB LYS 5 -2.148 6.470 -1.538
28 HB3 LYS 5 1HB LYS 5 -2.061 5.324 -2.846
29 HG2 LYS 5 2HG LYS 5 -3.911 7.702 -2.608
30 HG3 LYS 5 1HG LYS 5 -2.568 7.502 -3.733
31 HD2 LYS 5 2HD LYS 5 -3.786 5.575 -4.746
32 HD3 LYS 5 1HD LYS 5 -5.147 5.928 -3.683
33 HE2 LYS 5 2HE LYS 5 -3.993 7.764 -5.771
34 HE3 LYS 5 1HE LYS 5 -5.497 6.857 -5.907
35 HZ1 LYS 5 1HZ LYS 5 -6.346 8.187 -3.983
36 HZ2 LYS 5 2HZ LYS 5 -5.964 9.108 -5.332
37 HZ3 LYS 5 3HZ LYS 5 -4.920 9.099 -4.035
38 H ARG 6 H ARG 6 -2.571 5.138 0.672
39 HA ARG 6 HA ARG 6 -1.144 2.711 0.482
40 HB2 ARG 6 2HB ARG 6 -0.392 4.605 1.812
41 HB3 ARG 6 1HB ARG 6 -1.779 4.422 2.872
42 HG2 ARG 6 2HG ARG 6 -0.969 2.274 3.610
43 HG3 ARG 6 1HG ARG 6 0.397 2.385 2.495
44 HD2 ARG 6 2HD ARG 6 -0.209 4.279 4.738
45 HD3 ARG 6 1HD ARG 6 1.027 3.020 4.772
46 HE ARG 6 HE ARG 6 1.555 4.559 2.547
47 HH11 ARG 6 1HH1 ARG 6 1.390 5.110 6.030
48 HH12 ARG 6 2HH1 ARG 6 2.496 6.403 6.015
49 HH21 ARG 6 1HH2 ARG 6 3.042 6.286 2.504
50 HH22 ARG 6 2HH2 ARG 6 3.479 7.104 3.949
51 H LYS 7 H LYS 7 -4.193 3.611 2.027
52 HA LYS 7 HA LYS 7 -4.587 1.163 3.427
53 HB2 LYS 7 2HB LYS 7 -5.755 3.424 3.795
54 HB3 LYS 7 1HB LYS 7 -6.747 2.983 2.410
55 HG2 LYS 7 2HG LYS 7 -8.004 2.367 4.273
56 HG3 LYS 7 1HG LYS 7 -7.314 0.870 3.662
57 HD2 LYS 7 2HD LYS 7 -5.512 0.985 5.317
58 HD3 LYS 7 1HD LYS 7 -6.190 2.483 5.954
59 HE2 LYS 7 2HE LYS 7 -6.856 0.685 7.387
60 HE3 LYS 7 1HE LYS 7 -8.270 1.225 6.487
61 HZ1 LYS 7 1HZ LYS 7 -6.608 -1.149 5.853
62 HZ2 LYS 7 2HZ LYS 7 -7.994 -0.678 4.995
63 HZ3 LYS 7 3HZ LYS 7 -8.121 -1.183 6.582
64 H GLU 8 H GLU 8 -5.588 2.432 0.296
65 HA GLU 8 HA GLU 8 -7.196 0.323 -0.465
66 HB2 GLU 8 2HB GLU 8 -7.061 2.535 -1.611
67 HB3 GLU 8 1HB GLU 8 -5.489 2.087 -2.231
68 HG2 GLU 8 2HG GLU 8 -7.226 1.859 -3.924
69 HG3 GLU 8 1HG GLU 8 -6.465 0.314 -3.552
70 H CYS 9 H CYS 9 -3.715 0.923 -0.912
71 HA CYS 9 HA CYS 9 -3.110 -1.455 -2.267
72 HB2 CYS 9 2HB CYS 9 -1.381 0.251 -0.492
73 HB3 CYS 9 1HB CYS 9 -0.778 -1.150 -1.369
74 H GLU 10 H GLU 10 -3.376 -0.773 1.168
75 HA GLU 10 HA GLU 10 -2.339 -3.208 2.139
76 HB2 GLU 10 2HB GLU 10 -2.700 -1.214 3.531
77 HB3 GLU 10 1HB GLU 10 -4.431 -1.358 3.301
78 HG2 GLU 10 2HG GLU 10 -4.383 -3.504 4.498
79 HG3 GLU 10 1HG GLU 10 -2.654 -3.286 4.767
80 H LYS 11 H LYS 11 -5.559 -2.217 1.182
81 HA LYS 11 HA LYS 11 -6.846 -4.666 1.883
82 HB2 LYS 11 2HB LYS 11 -8.029 -2.505 1.809
83 HB3 LYS 11 1HB LYS 11 -7.763 -2.424 0.080
84 HG2 LYS 11 2HG LYS 11 -10.045 -3.105 0.608
85 HG3 LYS 11 1HG LYS 11 -9.169 -4.370 -0.253
86 HD2 LYS 11 2HD LYS 11 -8.812 -5.587 1.798
87 HD3 LYS 11 1HD LYS 11 -9.534 -4.285 2.742
88 HE2 LYS 11 2HE LYS 11 -11.116 -6.112 2.442
89 HE3 LYS 11 1HE LYS 11 -11.668 -4.663 1.606
90 HZ1 LYS 11 1HZ LYS 11 -10.858 -5.622 -0.482
91 HZ2 LYS 11 2HZ LYS 11 -11.984 -6.616 0.267
92 HZ3 LYS 11 3HZ LYS 11 -10.359 -7.010 0.347
93 H LYS 12 H LYS 12 -5.674 -3.298 -1.149
94 HA LYS 12 HA LYS 12 -6.617 -5.471 -2.752
95 HB2 LYS 12 2HB LYS 12 -6.263 -3.125 -3.559
96 HB3 LYS 12 1HB LYS 12 -4.535 -3.393 -3.432
97 HG2 LYS 12 2HG LYS 12 -5.189 -3.639 -5.722
98 HG3 LYS 12 1HG LYS 12 -4.750 -5.226 -5.094
99 HD2 LYS 12 2HD LYS 12 -7.080 -5.808 -4.809
100 HD3 LYS 12 1HD LYS 12 -7.562 -4.178 -5.267
101 HE2 LYS 12 2HE LYS 12 -7.891 -5.725 -7.112
102 HE3 LYS 12 1HE LYS 12 -6.661 -4.532 -7.507
103 HZ1 LYS 12 1HZ LYS 12 -4.956 -6.191 -7.063
104 HZ2 LYS 12 2HZ LYS 12 -6.055 -6.769 -8.195
105 HZ3 LYS 12 3HZ LYS 12 -6.134 -7.321 -6.623
106 H TYR 13 H TYR 13 -3.526 -4.599 -1.271
107 HA TYR 13 HA TYR 13 -2.485 -7.214 -2.053
108 HB2 TYR 13 2HB TYR 13 -0.854 -4.685 -1.755
109 HB3 TYR 13 1HB TYR 13 -0.302 -6.272 -2.259
110 HD1 TYR 13 1HD TYR 13 -1.888 -3.186 -3.275
111 HD2 TYR 13 2HD TYR 13 -0.812 -7.097 -4.545
112 HE1 TYR 13 1HE TYR 13 -2.217 -2.507 -5.597
113 HE2 TYR 13 2HE TYR 13 -1.142 -6.436 -6.877
114 HH TYR 13 HH TYR 13 -2.454 -4.692 -8.139
115 H THR 14 H THR 14 -2.852 -8.177 -0.102
116 HA THR 14 HA THR 14 -1.835 -6.866 2.275
117 HB THR 14 HB THR 14 -3.197 -9.578 2.002
118 HG1 THR 14 1HG THR 14 -4.106 -6.937 1.991
119 HG21 THR 14 1HG2 THR 14 -3.794 -9.217 4.363
120 HG22 THR 14 2HG2 THR 14 -2.972 -7.658 4.343
121 HG23 THR 14 3HG2 THR 14 -2.042 -9.147 4.172
122 H ASP 15 H ASP 15 -0.681 -8.413 -0.209
123 HA ASP 15 HA ASP 15 1.191 -10.339 0.702
124 HB2 ASP 15 2HB ASP 15 0.463 -10.015 -1.657
125 HB3 ASP 15 1HB ASP 15 1.302 -8.476 -1.677
126 HA PRO 16 HA PRO 16 3.659 -7.542 3.181
127 HB2 PRO 16 2HB PRO 16 5.743 -9.498 2.316
128 HB3 PRO 16 1HB PRO 16 5.449 -8.819 3.922
129 HG2 PRO 16 2HG PRO 16 4.601 -11.246 3.392
130 HG3 PRO 16 1HG PRO 16 3.538 -10.123 4.257
131 HD2 PRO 16 2HD PRO 16 3.424 -11.016 1.409
132 HD3 PRO 16 1HD PRO 16 2.103 -10.649 2.541
133 H LYS 17 H LYS 17 5.243 -8.748 0.205
134 HA LYS 17 HA LYS 17 6.974 -6.512 0.164
135 HB2 LYS 17 2HB LYS 17 7.722 -8.582 -0.876
136 HB3 LYS 17 1HB LYS 17 6.417 -8.490 -2.055
137 HG2 LYS 17 2HG LYS 17 7.362 -6.495 -3.027
138 HG3 LYS 17 1HG LYS 17 8.579 -6.437 -1.758
139 HD2 LYS 17 2HD LYS 17 9.612 -8.435 -2.575
140 HD3 LYS 17 1HD LYS 17 8.329 -8.656 -3.770
141 HE2 LYS 17 2HE LYS 17 10.336 -7.672 -4.793
142 HE3 LYS 17 1HE LYS 17 8.959 -6.577 -4.860
143 HZ1 LYS 17 1HZ LYS 17 9.903 -5.362 -2.946
144 HZ2 LYS 17 2HZ LYS 17 10.941 -5.410 -4.263
145 HZ3 LYS 17 3HZ LYS 17 11.224 -6.427 -2.945
146 H LYS 18 H LYS 18 3.988 -7.219 -1.528
147 HA LYS 18 HA LYS 18 4.058 -4.990 -3.318
148 HB2 LYS 18 2HB LYS 18 1.631 -6.320 -2.161
149 HB3 LYS 18 1HB LYS 18 1.694 -5.406 -3.659
150 HG2 LYS 18 2HG LYS 18 3.023 -8.050 -3.122
151 HG3 LYS 18 1HG LYS 18 1.517 -7.820 -3.998
152 HD2 LYS 18 2HD LYS 18 2.639 -6.679 -5.741
153 HD3 LYS 18 1HD LYS 18 4.166 -6.660 -4.836
154 HE2 LYS 18 2HE LYS 18 2.696 -9.126 -5.781
155 HE3 LYS 18 1HE LYS 18 4.129 -8.441 -6.546
156 HZ1 LYS 18 1HZ LYS 18 5.391 -8.872 -4.557
157 HZ2 LYS 18 2HZ LYS 18 4.703 -10.286 -5.082
158 HZ3 LYS 18 3HZ LYS 18 4.048 -9.494 -3.737
159 H ARG 19 H ARG 19 2.580 -5.574 -0.169
160 HA ARG 19 HA ARG 19 1.204 -3.156 0.106
161 HB2 ARG 19 2HB ARG 19 0.831 -5.188 1.490
162 HB3 ARG 19 1HB ARG 19 2.356 -4.870 2.303
163 HG2 ARG 19 2HG ARG 19 1.421 -2.639 2.974
164 HG3 ARG 19 1HG ARG 19 -0.140 -3.195 2.366
165 HD2 ARG 19 2HD ARG 19 -0.050 -3.579 4.734
166 HD3 ARG 19 1HD ARG 19 0.028 -5.137 3.906
167 HE ARG 19 HE ARG 19 2.599 -3.973 4.522
168 HH11 ARG 19 1HH1 ARG 19 0.048 -6.070 5.767
169 HH12 ARG 19 2HH1 ARG 19 1.061 -6.854 6.885
170 HH21 ARG 19 1HH2 ARG 19 3.970 -5.033 5.974
171 HH22 ARG 19 2HH2 ARG 19 3.378 -6.271 6.988
172 H GLU 20 H GLU 20 4.384 -4.182 1.378
173 HA GLU 20 HA GLU 20 4.878 -1.704 2.593
174 HB2 GLU 20 2HB GLU 20 6.856 -3.832 1.789
175 HB3 GLU 20 1HB GLU 20 7.234 -2.442 2.795
176 HG2 GLU 20 2HG GLU 20 5.362 -4.707 3.437
177 HG3 GLU 20 1HG GLU 20 6.904 -4.337 4.207
178 H GLU 21 H GLU 21 5.643 -2.921 -0.652
179 HA GLU 21 HA GLU 21 7.368 -0.911 -1.454
180 HB2 GLU 21 2HB GLU 21 6.832 -3.005 -2.696
181 HB3 GLU 21 1HB GLU 21 5.256 -2.319 -3.075
182 HG2 GLU 21 2HG GLU 21 6.441 -0.414 -4.094
183 HG3 GLU 21 1HG GLU 21 7.932 -1.346 -3.904
184 H CYS 22 H CYS 22 3.829 -1.197 -1.721
185 HA CYS 22 HA CYS 22 3.469 1.348 -2.864
186 HB2 CYS 22 2HB CYS 22 1.709 -0.354 -3.056
187 HB3 CYS 22 1HB CYS 22 1.461 -0.305 -1.311
188 H LYS 23 H LYS 23 3.323 0.214 0.466
189 HA LYS 23 HA LYS 23 2.446 2.495 1.774
190 HB2 LYS 23 2HB LYS 23 2.680 0.372 2.882
191 HB3 LYS 23 1HB LYS 23 4.415 0.381 2.627
192 HG2 LYS 23 2HG LYS 23 4.609 2.318 4.139
193 HG3 LYS 23 1HG LYS 23 2.872 2.242 4.430
194 HD2 LYS 23 2HD LYS 23 4.796 -0.016 4.987
195 HD3 LYS 23 1HD LYS 23 4.252 1.143 6.196
196 HE2 LYS 23 2HE LYS 23 1.965 0.396 5.937
197 HE3 LYS 23 1HE LYS 23 2.427 -0.671 4.612
198 HZ1 LYS 23 1HZ LYS 23 3.469 -0.932 7.373
199 HZ2 LYS 23 2HZ LYS 23 3.678 -1.996 6.053
200 HZ3 LYS 23 3HZ LYS 23 2.160 -1.813 6.757
201 H ARG 24 H ARG 24 5.657 1.689 0.638
202 HA ARG 24 HA ARG 24 6.885 3.956 1.906
203 HB2 ARG 24 2HB ARG 24 7.964 1.996 -0.106
204 HB3 ARG 24 1HB ARG 24 8.909 3.205 0.748
205 HG2 ARG 24 2HG ARG 24 8.555 2.124 2.838
206 HG3 ARG 24 1HG ARG 24 7.357 1.036 2.132
207 HD2 ARG 24 2HD ARG 24 9.152 0.162 0.639
208 HD3 ARG 24 1HD ARG 24 10.307 1.127 1.559
209 HE ARG 24 HE ARG 24 9.204 -0.235 3.503
210 HH11 ARG 24 1HH1 ARG 24 10.263 -1.402 0.323
211 HH12 ARG 24 2HH1 ARG 24 10.611 -2.976 0.833
212 HH21 ARG 24 1HH2 ARG 24 9.655 -2.427 4.229
213 HH22 ARG 24 2HH2 ARG 24 10.253 -3.582 3.140
214 H LYS 25 H LYS 25 5.269 3.415 -1.095
215 HA LYS 25 HA LYS 25 6.692 5.700 -2.263
216 HB2 LYS 25 2HB LYS 25 6.605 3.607 -3.626
217 HB3 LYS 25 1HB LYS 25 4.854 3.770 -3.697
218 HG2 LYS 25 2HG LYS 25 5.115 5.944 -4.804
219 HG3 LYS 25 1HG LYS 25 6.863 5.729 -4.760
220 HD2 LYS 25 2HD LYS 25 6.637 3.736 -6.168
221 HD3 LYS 25 1HD LYS 25 4.891 3.976 -6.226
222 HE2 LYS 25 2HE LYS 25 7.008 5.861 -7.284
223 HE3 LYS 25 1HE LYS 25 5.927 4.867 -8.250
224 HZ1 LYS 25 1HZ LYS 25 5.149 7.161 -8.143
225 HZ2 LYS 25 2HZ LYS 25 5.105 7.126 -6.486
226 HZ3 LYS 25 3HZ LYS 25 4.041 6.173 -7.367
227 H ALA 26 H ALA 26 3.489 4.532 -1.486
228 HA ALA 26 HA ALA 26 2.275 7.002 -2.363
229 HB1 ALA 26 1HB ALA 26 1.105 4.915 -2.844
230 HB2 ALA 26 2HB ALA 26 0.160 5.906 -1.732
231 HB3 ALA 26 3HB ALA 26 1.071 4.523 -1.126
Start of MODEL 3
1 H HIS 1 H HIS 1 1.561 8.394 -0.994
2 HA HIS 1 HA HIS 1 2.542 8.666 1.747
3 HB2 HIS 1 2HB HIS 1 2.273 10.672 -0.491
4 HB3 HIS 1 1HB HIS 1 2.536 11.166 1.174
5 HD1 HIS 1 1HD HIS 1 4.733 12.156 -0.337
6 HD2 HIS 1 2HD HIS 1 4.653 8.143 0.741
7 HE1 HIS 1 1HE HIS 1 7.121 11.387 -0.394
8 H ASP 2 H ASP 2 -0.257 8.508 0.012
9 HA ASP 2 HA ASP 2 -1.724 10.185 1.908
10 HB2 ASP 2 2HB ASP 2 -2.855 8.672 -0.452
11 HB3 ASP 2 1HB ASP 2 -3.696 9.824 0.549
12 HA PRO 3 HA PRO 3 -2.814 6.594 4.326
13 HB2 PRO 3 2HB PRO 3 -5.329 8.109 4.745
14 HB3 PRO 3 1HB PRO 3 -4.220 7.441 5.947
15 HG2 PRO 3 2HG PRO 3 -4.329 10.073 5.468
16 HG3 PRO 3 1HG PRO 3 -2.801 9.261 5.840
17 HD2 PRO 3 2HD PRO 3 -3.819 10.242 3.199
18 HD3 PRO 3 1HD PRO 3 -2.165 10.175 3.852
19 H GLU 4 H GLU 4 -4.915 8.168 2.052
20 HA GLU 4 HA GLU 4 -6.949 6.327 1.574
21 HB2 GLU 4 2HB GLU 4 -5.477 7.934 -0.505
22 HB3 GLU 4 1HB GLU 4 -7.106 7.304 -0.626
23 HG2 GLU 4 2HG GLU 4 -7.846 8.832 1.094
24 HG3 GLU 4 1HG GLU 4 -6.193 9.426 1.296
25 H LYS 5 H LYS 5 -3.830 6.712 -0.056
26 HA LYS 5 HA LYS 5 -4.184 4.391 -1.663
27 HB2 LYS 5 2HB LYS 5 -1.804 6.187 -1.245
28 HB3 LYS 5 1HB LYS 5 -1.835 4.855 -2.397
29 HG2 LYS 5 2HG LYS 5 -3.768 7.154 -2.424
30 HG3 LYS 5 1HG LYS 5 -2.297 7.082 -3.398
31 HD2 LYS 5 2HD LYS 5 -3.092 5.210 -4.617
32 HD3 LYS 5 1HD LYS 5 -4.428 4.947 -3.503
33 HE2 LYS 5 2HE LYS 5 -4.088 7.361 -5.266
34 HE3 LYS 5 1HE LYS 5 -5.143 5.983 -5.592
35 HZ1 LYS 5 1HZ LYS 5 -6.301 6.472 -3.496
36 HZ2 LYS 5 2HZ LYS 5 -6.431 7.700 -4.634
37 HZ3 LYS 5 3HZ LYS 5 -5.393 7.895 -3.335
38 H ARG 6 H ARG 6 -2.566 5.121 1.303
39 HA ARG 6 HA ARG 6 -1.081 2.763 1.569
40 HB2 ARG 6 2HB ARG 6 -0.965 4.750 3.094
41 HB3 ARG 6 1HB ARG 6 -2.514 4.269 3.765
42 HG2 ARG 6 2HG ARG 6 -1.497 2.124 4.468
43 HG3 ARG 6 1HG ARG 6 0.059 2.721 3.890
44 HD2 ARG 6 2HD ARG 6 -0.058 3.088 6.241
45 HD3 ARG 6 1HD ARG 6 -0.174 4.648 5.431
46 HE ARG 6 HE ARG 6 -2.577 3.224 6.301
47 HH11 ARG 6 1HH1 ARG 6 -0.616 6.205 6.313
48 HH12 ARG 6 2HH1 ARG 6 -1.581 6.988 7.466
49 HH21 ARG 6 1HH2 ARG 6 -3.942 4.399 7.880
50 HH22 ARG 6 2HH2 ARG 6 -3.479 5.982 8.332
51 H LYS 7 H LYS 7 -4.396 3.575 2.443
52 HA LYS 7 HA LYS 7 -5.252 1.100 3.505
53 HB2 LYS 7 2HB LYS 7 -6.402 3.300 3.770
54 HB3 LYS 7 1HB LYS 7 -6.754 3.228 2.046
55 HG2 LYS 7 2HG LYS 7 -8.176 1.300 2.383
56 HG3 LYS 7 1HG LYS 7 -7.844 1.343 4.118
57 HD2 LYS 7 2HD LYS 7 -8.745 3.610 4.232
58 HD3 LYS 7 1HD LYS 7 -9.086 3.562 2.508
59 HE2 LYS 7 2HE LYS 7 -10.643 1.705 2.870
60 HE3 LYS 7 1HE LYS 7 -10.288 1.757 4.596
61 HZ1 LYS 7 1HZ LYS 7 -11.477 3.967 3.023
62 HZ2 LYS 7 2HZ LYS 7 -11.145 4.004 4.673
63 HZ3 LYS 7 3HZ LYS 7 -12.331 2.950 4.070
64 H GLU 8 H GLU 8 -5.635 2.564 0.318
65 HA GLU 8 HA GLU 8 -6.995 0.518 -0.873
66 HB2 GLU 8 2HB GLU 8 -5.124 2.545 -2.110
67 HB3 GLU 8 1HB GLU 8 -6.140 1.466 -3.055
68 HG2 GLU 8 2HG GLU 8 -8.131 2.415 -2.104
69 HG3 GLU 8 1HG GLU 8 -7.178 3.408 -1.011
70 H CYS 9 H CYS 9 -3.509 1.027 -0.624
71 HA CYS 9 HA CYS 9 -2.979 -1.350 -2.136
72 HB2 CYS 9 2HB CYS 9 -1.157 0.594 -0.755
73 HB3 CYS 9 1HB CYS 9 -0.564 -0.894 -1.492
74 H GLU 10 H GLU 10 -3.414 -0.606 1.160
75 HA GLU 10 HA GLU 10 -2.191 -2.882 2.301
76 HB2 GLU 10 2HB GLU 10 -2.950 -0.909 3.578
77 HB3 GLU 10 1HB GLU 10 -4.608 -1.282 3.162
78 HG2 GLU 10 2HG GLU 10 -4.390 -3.396 4.425
79 HG3 GLU 10 1HG GLU 10 -2.776 -2.883 4.922
80 H LYS 11 H LYS 11 -5.331 -2.186 0.947
81 HA LYS 11 HA LYS 11 -6.392 -4.775 1.533
82 HB2 LYS 11 2HB LYS 11 -7.760 -2.689 1.341
83 HB3 LYS 11 1HB LYS 11 -7.444 -2.703 -0.386
84 HG2 LYS 11 2HG LYS 11 -8.560 -4.854 -0.580
85 HG3 LYS 11 1HG LYS 11 -8.886 -4.844 1.155
86 HD2 LYS 11 2HD LYS 11 -10.141 -2.734 0.856
87 HD3 LYS 11 1HD LYS 11 -9.888 -2.868 -0.884
88 HE2 LYS 11 2HE LYS 11 -11.057 -5.028 -0.870
89 HE3 LYS 11 1HE LYS 11 -11.350 -4.849 0.857
90 HZ1 LYS 11 1HZ LYS 11 -12.571 -2.808 0.368
91 HZ2 LYS 11 2HZ LYS 11 -13.267 -4.155 -0.371
92 HZ3 LYS 11 3HZ LYS 11 -12.345 -3.073 -1.286
93 H LYS 12 H LYS 12 -5.588 -3.104 -1.525
94 HA LYS 12 HA LYS 12 -5.976 -5.260 -3.254
95 HB2 LYS 12 2HB LYS 12 -4.147 -2.885 -3.523
96 HB3 LYS 12 1HB LYS 12 -4.523 -3.988 -4.844
97 HG2 LYS 12 2HG LYS 12 -6.848 -3.342 -4.762
98 HG3 LYS 12 1HG LYS 12 -6.547 -2.341 -3.339
99 HD2 LYS 12 2HD LYS 12 -4.999 -0.964 -4.681
100 HD3 LYS 12 1HD LYS 12 -5.407 -1.929 -6.101
101 HE2 LYS 12 2HE LYS 12 -7.730 -1.233 -5.933
102 HE3 LYS 12 1HE LYS 12 -7.372 -0.334 -4.459
103 HZ1 LYS 12 1HZ LYS 12 -7.466 1.114 -6.383
104 HZ2 LYS 12 2HZ LYS 12 -6.217 0.256 -7.133
105 HZ3 LYS 12 3HZ LYS 12 -5.922 1.106 -5.727
106 H TYR 13 H TYR 13 -2.962 -4.196 -1.651
107 HA TYR 13 HA TYR 13 -1.779 -6.688 -2.567
108 HB2 TYR 13 2HB TYR 13 -0.463 -4.255 -1.336
109 HB3 TYR 13 1HB TYR 13 0.380 -5.712 -1.837
110 HD1 TYR 13 1HD TYR 13 0.277 -6.320 -4.345
111 HD2 TYR 13 2HD TYR 13 -0.783 -2.502 -2.821
112 HE1 TYR 13 1HE TYR 13 0.625 -5.342 -6.571
113 HE2 TYR 13 2HE TYR 13 -0.452 -1.511 -5.038
114 HH TYR 13 HH TYR 13 0.878 -2.039 -7.081
115 H THR 14 H THR 14 -2.455 -8.141 -1.237
116 HA THR 14 HA THR 14 -2.781 -7.656 1.572
117 HB THR 14 HB THR 14 -3.015 -10.242 0.020
118 HG1 THR 14 1HG THR 14 -4.426 -7.925 -0.109
119 HG21 THR 14 1HG2 THR 14 -4.361 -9.245 2.549
120 HG22 THR 14 2HG2 THR 14 -3.057 -10.431 2.491
121 HG23 THR 14 3HG2 THR 14 -4.628 -10.811 1.783
122 H ASP 15 H ASP 15 -0.495 -8.986 -0.620
123 HA ASP 15 HA ASP 15 1.121 -10.445 1.177
124 HB2 ASP 15 2HB ASP 15 1.368 -10.799 -1.198
125 HB3 ASP 15 1HB ASP 15 1.776 -9.108 -1.456
126 HA PRO 16 HA PRO 16 2.623 -7.106 3.719
127 HB2 PRO 16 2HB PRO 16 4.941 -8.987 3.889
128 HB3 PRO 16 1HB PRO 16 4.119 -8.103 5.183
129 HG2 PRO 16 2HG PRO 16 3.588 -10.659 4.831
130 HG3 PRO 16 1HG PRO 16 2.267 -9.520 5.147
131 HD2 PRO 16 2HD PRO 16 3.071 -10.814 2.577
132 HD3 PRO 16 1HD PRO 16 1.453 -10.417 3.197
133 H LYS 17 H LYS 17 4.957 -8.615 1.435
134 HA LYS 17 HA LYS 17 6.705 -6.363 1.499
135 HB2 LYS 17 2HB LYS 17 7.514 -8.619 0.901
136 HB3 LYS 17 1HB LYS 17 6.539 -8.564 -0.563
137 HG2 LYS 17 2HG LYS 17 7.854 -6.556 -1.271
138 HG3 LYS 17 1HG LYS 17 8.908 -6.828 0.115
139 HD2 LYS 17 2HD LYS 17 9.436 -9.069 -0.754
140 HD3 LYS 17 1HD LYS 17 8.409 -8.756 -2.153
141 HE2 LYS 17 2HE LYS 17 10.938 -7.289 -1.392
142 HE3 LYS 17 1HE LYS 17 10.719 -8.382 -2.755
143 HZ1 LYS 17 1HZ LYS 17 9.485 -5.723 -2.370
144 HZ2 LYS 17 2HZ LYS 17 9.001 -6.718 -3.592
145 HZ3 LYS 17 3HZ LYS 17 10.592 -6.130 -3.552
146 H LYS 18 H LYS 18 4.310 -7.548 -0.837
147 HA LYS 18 HA LYS 18 4.645 -5.432 -2.670
148 HB2 LYS 18 2HB LYS 18 2.275 -7.232 -2.167
149 HB3 LYS 18 1HB LYS 18 2.291 -6.022 -3.439
150 HG2 LYS 18 2HG LYS 18 4.275 -8.272 -3.196
151 HG3 LYS 18 1HG LYS 18 2.861 -8.274 -4.260
152 HD2 LYS 18 2HD LYS 18 3.698 -6.398 -5.483
153 HD3 LYS 18 1HD LYS 18 5.022 -6.164 -4.356
154 HE2 LYS 18 2HE LYS 18 5.855 -8.416 -5.007
155 HE3 LYS 18 1HE LYS 18 4.630 -8.427 -6.283
156 HZ1 LYS 18 1HZ LYS 18 6.822 -7.585 -7.054
157 HZ2 LYS 18 2HZ LYS 18 6.669 -6.321 -5.928
158 HZ3 LYS 18 3HZ LYS 18 5.593 -6.434 -7.205
159 H ARG 19 H ARG 19 2.663 -5.709 0.133
160 HA ARG 19 HA ARG 19 1.245 -3.317 -0.146
161 HB2 ARG 19 2HB ARG 19 0.654 -5.053 1.474
162 HB3 ARG 19 1HB ARG 19 2.148 -4.761 2.346
163 HG2 ARG 19 2HG ARG 19 1.397 -2.561 2.971
164 HG3 ARG 19 1HG ARG 19 -0.068 -2.758 2.003
165 HD2 ARG 19 2HD ARG 19 0.721 -4.490 4.337
166 HD3 ARG 19 1HD ARG 19 -0.451 -3.174 4.407
167 HE ARG 19 HE ARG 19 -1.435 -4.689 2.439
168 HH11 ARG 19 1HH1 ARG 19 -0.230 -5.705 5.608
169 HH12 ARG 19 2HH1 ARG 19 -1.431 -6.892 5.815
170 HH21 ARG 19 1HH2 ARG 19 -3.094 -6.213 2.785
171 HH22 ARG 19 2HH2 ARG 19 -3.111 -7.189 4.200
172 H GLU 20 H GLU 20 4.345 -4.040 1.475
173 HA GLU 20 HA GLU 20 4.888 -1.387 2.254
174 HB2 GLU 20 2HB GLU 20 6.799 -3.664 1.715
175 HB3 GLU 20 1HB GLU 20 7.264 -2.142 2.452
176 HG2 GLU 20 2HG GLU 20 5.346 -4.170 3.567
177 HG3 GLU 20 1HG GLU 20 6.980 -3.844 4.134
178 H GLU 21 H GLU 21 5.628 -3.175 -0.680
179 HA GLU 21 HA GLU 21 7.244 -1.339 -1.993
180 HB2 GLU 21 2HB GLU 21 5.171 -3.210 -3.108
181 HB3 GLU 21 1HB GLU 21 6.213 -2.231 -4.123
182 HG2 GLU 21 2HG GLU 21 8.174 -3.369 -3.156
183 HG3 GLU 21 1HG GLU 21 7.093 -4.360 -2.176
184 H CYS 22 H CYS 22 3.693 -1.536 -2.011
185 HA CYS 22 HA CYS 22 3.549 0.842 -3.550
186 HB2 CYS 22 2HB CYS 22 1.674 -0.737 -3.648
187 HB3 CYS 22 1HB CYS 22 1.339 -0.444 -1.940
188 H LYS 23 H LYS 23 3.305 0.175 -0.083
189 HA LYS 23 HA LYS 23 2.460 2.681 0.803
190 HB2 LYS 23 2HB LYS 23 4.125 0.577 2.132
191 HB3 LYS 23 1HB LYS 23 3.676 2.070 2.938
192 HG2 LYS 23 2HG LYS 23 1.354 1.533 2.806
193 HG3 LYS 23 1HG LYS 23 1.684 0.149 1.763
194 HD2 LYS 23 2HD LYS 23 1.240 -0.519 4.099
195 HD3 LYS 23 1HD LYS 23 2.851 -0.979 3.556
196 HE2 LYS 23 2HE LYS 23 3.758 1.026 4.695
197 HE3 LYS 23 1HE LYS 23 2.140 1.374 5.310
198 HZ1 LYS 23 1HZ LYS 23 2.176 -0.713 6.485
199 HZ2 LYS 23 2HZ LYS 23 3.547 0.160 6.908
200 HZ3 LYS 23 3HZ LYS 23 3.656 -1.117 5.791
201 H ARG 24 H ARG 24 5.610 1.667 -0.191
202 HA ARG 24 HA ARG 24 7.097 3.782 0.939
203 HB2 ARG 24 2HB ARG 24 8.154 1.744 0.103
204 HB3 ARG 24 1HB ARG 24 7.635 2.123 -1.530
205 HG2 ARG 24 2HG ARG 24 9.071 4.088 -1.544
206 HG3 ARG 24 1HG ARG 24 9.570 3.743 0.111
207 HD2 ARG 24 2HD ARG 24 10.572 1.672 -0.578
208 HD3 ARG 24 1HD ARG 24 9.973 1.884 -2.223
209 HE ARG 24 HE ARG 24 11.553 4.078 -1.381
210 HH11 ARG 24 1HH1 ARG 24 11.913 0.705 -2.380
211 HH12 ARG 24 2HH1 ARG 24 13.350 0.972 -3.238
212 HH21 ARG 24 1HH2 ARG 24 13.568 4.429 -2.539
213 HH22 ARG 24 2HH2 ARG 24 14.309 3.106 -3.319
214 H LYS 25 H LYS 25 5.075 3.581 -1.842
215 HA LYS 25 HA LYS 25 5.976 6.190 -2.815
216 HB2 LYS 25 2HB LYS 25 5.807 4.382 -4.468
217 HB3 LYS 25 1HB LYS 25 4.119 4.151 -4.036
218 HG2 LYS 25 2HG LYS 25 3.589 6.383 -4.873
219 HG3 LYS 25 1HG LYS 25 5.282 6.636 -5.287
220 HD2 LYS 25 2HD LYS 25 4.008 6.014 -7.261
221 HD3 LYS 25 1HD LYS 25 5.165 4.748 -6.857
222 HE2 LYS 25 2HE LYS 25 3.392 3.435 -5.815
223 HE3 LYS 25 1HE LYS 25 2.226 4.714 -6.150
224 HZ1 LYS 25 1HZ LYS 25 2.579 4.342 -8.517
225 HZ2 LYS 25 2HZ LYS 25 2.140 2.900 -7.776
226 HZ3 LYS 25 3HZ LYS 25 3.736 3.179 -8.182
227 H ALA 26 H ALA 26 3.270 4.482 -1.452
228 HA ALA 26 HA ALA 26 1.325 6.483 -1.837
229 HB1 ALA 26 1HB ALA 26 1.343 4.234 0.164
230 HB2 ALA 26 2HB ALA 26 0.767 4.115 -1.498
231 HB3 ALA 26 3HB ALA 26 -0.062 5.166 -0.348
Start of MODEL 4
1 H HIS 1 H HIS 1 1.208 8.999 -2.499
2 HA HIS 1 HA HIS 1 2.521 9.602 0.082
3 HB2 HIS 1 2HB HIS 1 1.448 11.545 -1.979
4 HB3 HIS 1 1HB HIS 1 2.257 11.980 -0.479
5 HD1 HIS 1 1HD HIS 1 2.949 11.584 -3.977
6 HD2 HIS 1 2HD HIS 1 5.003 10.814 -0.450
7 HE1 HIS 1 1HE HIS 1 5.376 11.426 -4.617
8 H ASP 2 H ASP 2 -0.440 9.104 -1.497
9 HA ASP 2 HA ASP 2 -2.225 10.614 0.070
10 HB2 ASP 2 2HB ASP 2 -2.684 7.954 -1.322
11 HB3 ASP 2 1HB ASP 2 -3.949 9.003 -0.705
12 HA PRO 3 HA PRO 3 -1.875 8.479 3.988
13 HB2 PRO 3 2HB PRO 3 -4.432 8.947 4.924
14 HB3 PRO 3 1HB PRO 3 -3.113 10.117 5.014
15 HG2 PRO 3 2HG PRO 3 -5.322 9.907 3.010
16 HG3 PRO 3 1HG PRO 3 -4.657 11.352 3.794
17 HD2 PRO 3 2HD PRO 3 -3.990 10.719 1.291
18 HD3 PRO 3 1HD PRO 3 -2.786 11.386 2.417
19 H GLU 4 H GLU 4 -4.334 7.823 1.708
20 HA GLU 4 HA GLU 4 -5.412 5.477 2.940
21 HB2 GLU 4 2HB GLU 4 -5.689 6.616 0.190
22 HB3 GLU 4 1HB GLU 4 -6.522 5.175 0.749
23 HG2 GLU 4 2HG GLU 4 -7.676 6.452 2.424
24 HG3 GLU 4 1HG GLU 4 -6.775 7.902 1.971
25 H LYS 5 H LYS 5 -2.542 6.041 1.248
26 HA LYS 5 HA LYS 5 -2.262 4.020 -0.580
27 HB2 LYS 5 2HB LYS 5 0.184 4.175 -0.209
28 HB3 LYS 5 1HB LYS 5 -0.594 5.743 -0.251
29 HG2 LYS 5 2HG LYS 5 -0.533 5.833 2.211
30 HG3 LYS 5 1HG LYS 5 0.328 4.293 2.223
31 HD2 LYS 5 2HD LYS 5 2.150 5.316 0.928
32 HD3 LYS 5 1HD LYS 5 1.262 6.832 0.905
33 HE2 LYS 5 2HE LYS 5 1.404 7.022 3.296
34 HE3 LYS 5 1HE LYS 5 2.167 5.442 3.413
35 HZ1 LYS 5 1HZ LYS 5 3.816 7.155 3.573
36 HZ2 LYS 5 2HZ LYS 5 3.356 7.869 2.137
37 HZ3 LYS 5 3HZ LYS 5 4.056 6.338 2.137
38 H ARG 6 H ARG 6 -1.755 3.761 2.858
39 HA ARG 6 HA ARG 6 -0.890 1.097 2.886
40 HB2 ARG 6 2HB ARG 6 -1.593 1.198 5.350
41 HB3 ARG 6 1HB ARG 6 -0.369 2.336 4.817
42 HG2 ARG 6 2HG ARG 6 -2.067 4.106 4.683
43 HG3 ARG 6 1HG ARG 6 -3.297 2.960 5.211
44 HD2 ARG 6 2HD ARG 6 -2.228 2.727 7.354
45 HD3 ARG 6 1HD ARG 6 -0.851 3.685 6.815
46 HE ARG 6 HE ARG 6 -2.503 5.529 6.553
47 HH11 ARG 6 1HH1 ARG 6 -2.995 2.992 9.015
48 HH12 ARG 6 2HH1 ARG 6 -3.865 4.003 10.063
49 HH21 ARG 6 1HH2 ARG 6 -3.692 6.904 8.046
50 HH22 ARG 6 2HH2 ARG 6 -4.293 6.263 9.499
51 H LYS 7 H LYS 7 -4.102 2.460 3.483
52 HA LYS 7 HA LYS 7 -5.402 -0.017 3.956
53 HB2 LYS 7 2HB LYS 7 -6.221 2.243 4.693
54 HB3 LYS 7 1HB LYS 7 -6.534 2.577 2.988
55 HG2 LYS 7 2HG LYS 7 -8.588 2.015 4.125
56 HG3 LYS 7 1HG LYS 7 -8.174 0.813 2.907
57 HD2 LYS 7 2HD LYS 7 -7.353 -0.695 4.622
58 HD3 LYS 7 1HD LYS 7 -7.658 0.524 5.864
59 HE2 LYS 7 2HE LYS 7 -9.429 -1.172 5.791
60 HE3 LYS 7 1HE LYS 7 -10.040 0.433 5.401
61 HZ1 LYS 7 1HZ LYS 7 -9.357 -1.661 3.405
62 HZ2 LYS 7 2HZ LYS 7 -10.072 -0.148 3.072
63 HZ3 LYS 7 3HZ LYS 7 -10.903 -1.301 3.942
64 H GLU 8 H GLU 8 -5.064 2.065 1.162
65 HA GLU 8 HA GLU 8 -6.770 0.801 -0.576
66 HB2 GLU 8 2HB GLU 8 -5.770 3.016 -0.950
67 HB3 GLU 8 1HB GLU 8 -4.195 2.275 -1.158
68 HG2 GLU 8 2HG GLU 8 -5.078 2.857 -3.305
69 HG3 GLU 8 1HG GLU 8 -5.048 1.103 -3.147
70 H CYS 9 H CYS 9 -3.297 0.391 0.023
71 HA CYS 9 HA CYS 9 -3.231 -1.664 -1.911
72 HB2 CYS 9 2HB CYS 9 -1.073 -0.467 -0.220
73 HB3 CYS 9 1HB CYS 9 -0.782 -1.829 -1.311
74 H GLU 10 H GLU 10 -3.756 -1.637 1.460
75 HA GLU 10 HA GLU 10 -3.191 -4.412 1.760
76 HB2 GLU 10 2HB GLU 10 -4.965 -2.594 3.397
77 HB3 GLU 10 1HB GLU 10 -4.605 -4.261 3.820
78 HG2 GLU 10 2HG GLU 10 -2.223 -3.690 3.939
79 HG3 GLU 10 1HG GLU 10 -2.628 -2.013 3.583
80 H LYS 11 H LYS 11 -5.970 -2.548 0.699
81 HA LYS 11 HA LYS 11 -7.463 -5.007 0.495
82 HB2 LYS 11 2HB LYS 11 -9.366 -3.695 -0.337
83 HB3 LYS 11 1HB LYS 11 -8.745 -3.061 1.161
84 HG2 LYS 11 2HG LYS 11 -7.631 -1.250 -0.109
85 HG3 LYS 11 1HG LYS 11 -8.381 -1.875 -1.586
86 HD2 LYS 11 2HD LYS 11 -10.599 -1.592 -0.590
87 HD3 LYS 11 1HD LYS 11 -9.865 -0.999 0.892
88 HE2 LYS 11 2HE LYS 11 -10.715 0.860 -0.368
89 HE3 LYS 11 1HE LYS 11 -8.959 0.927 -0.384
90 HZ1 LYS 11 1HZ LYS 11 -8.917 0.244 -2.637
91 HZ2 LYS 11 2HZ LYS 11 -10.151 1.384 -2.516
92 HZ3 LYS 11 3HZ LYS 11 -10.543 -0.247 -2.591
93 H LYS 12 H LYS 12 -5.362 -3.307 -1.484
94 HA LYS 12 HA LYS 12 -6.307 -4.628 -3.893
95 HB2 LYS 12 2HB LYS 12 -3.906 -2.895 -3.408
96 HB3 LYS 12 1HB LYS 12 -4.196 -3.710 -4.927
97 HG2 LYS 12 2HG LYS 12 -6.317 -2.477 -5.150
98 HG3 LYS 12 1HG LYS 12 -5.938 -1.617 -3.653
99 HD2 LYS 12 2HD LYS 12 -3.925 -0.710 -4.619
100 HD3 LYS 12 1HD LYS 12 -4.156 -1.666 -6.079
101 HE2 LYS 12 2HE LYS 12 -5.990 0.512 -5.096
102 HE3 LYS 12 1HE LYS 12 -4.801 0.673 -6.387
103 HZ1 LYS 12 1HZ LYS 12 -6.040 -1.101 -7.589
104 HZ2 LYS 12 2HZ LYS 12 -6.887 0.319 -7.364
105 HZ3 LYS 12 3HZ LYS 12 -7.247 -1.012 -6.399
106 H TYR 13 H TYR 13 -3.616 -5.082 -1.613
107 HA TYR 13 HA TYR 13 -2.826 -7.430 -3.204
108 HB2 TYR 13 2HB TYR 13 -1.030 -5.749 -1.446
109 HB3 TYR 13 1HB TYR 13 -0.545 -7.072 -2.488
110 HD1 TYR 13 1HD TYR 13 -1.503 -3.584 -2.315
111 HD2 TYR 13 2HD TYR 13 -0.294 -6.696 -4.928
112 HE1 TYR 13 1HE TYR 13 -0.998 -1.915 -4.039
113 HE2 TYR 13 2HE TYR 13 0.207 -5.040 -6.677
114 HH TYR 13 HH TYR 13 0.318 -1.664 -5.999
115 H THR 14 H THR 14 -1.929 -9.169 -1.928
116 HA THR 14 HA THR 14 -2.946 -9.236 0.806
117 HB THR 14 HB THR 14 -2.482 -11.754 0.470
118 HG1 THR 14 1HG THR 14 -1.455 -12.054 -1.329
119 HG21 THR 14 1HG2 THR 14 -4.609 -10.403 -1.197
120 HG22 THR 14 2HG2 THR 14 -4.745 -10.821 0.513
121 HG23 THR 14 3HG2 THR 14 -4.624 -12.095 -0.702
122 H ASP 15 H ASP 15 -0.172 -9.530 -1.239
123 HA ASP 15 HA ASP 15 1.653 -10.563 0.639
124 HB2 ASP 15 2HB ASP 15 2.098 -10.822 -1.705
125 HB3 ASP 15 1HB ASP 15 2.032 -9.086 -1.963
126 HA PRO 16 HA PRO 16 2.078 -6.886 3.064
127 HB2 PRO 16 2HB PRO 16 4.314 -7.648 4.449
128 HB3 PRO 16 1HB PRO 16 2.676 -8.169 4.851
129 HG2 PRO 16 2HG PRO 16 4.794 -9.609 3.314
130 HG3 PRO 16 1HG PRO 16 3.661 -10.238 4.523
131 HD2 PRO 16 2HD PRO 16 3.271 -10.606 1.898
132 HD3 PRO 16 1HD PRO 16 1.919 -10.353 3.023
133 H LYS 17 H LYS 17 4.667 -8.119 1.018
134 HA LYS 17 HA LYS 17 6.399 -5.896 1.473
135 HB2 LYS 17 2HB LYS 17 6.319 -7.734 -0.924
136 HB3 LYS 17 1HB LYS 17 7.637 -6.664 -0.478
137 HG2 LYS 17 2HG LYS 17 6.695 -9.068 1.063
138 HG3 LYS 17 1HG LYS 17 8.149 -8.959 0.070
139 HD2 LYS 17 2HD LYS 17 8.980 -7.181 1.584
140 HD3 LYS 17 1HD LYS 17 7.561 -7.435 2.603
141 HE2 LYS 17 2HE LYS 17 9.683 -9.477 1.950
142 HE3 LYS 17 1HE LYS 17 9.484 -8.637 3.485
143 HZ1 LYS 17 1HZ LYS 17 7.330 -9.739 3.756
144 HZ2 LYS 17 2HZ LYS 17 8.560 -10.848 3.594
145 HZ3 LYS 17 3HZ LYS 17 7.540 -10.560 2.294
146 H LYS 18 H LYS 18 3.905 -6.692 -0.832
147 HA LYS 18 HA LYS 18 4.184 -4.448 -2.541
148 HB2 LYS 18 2HB LYS 18 1.647 -5.940 -1.866
149 HB3 LYS 18 1HB LYS 18 1.939 -4.970 -3.300
150 HG2 LYS 18 2HG LYS 18 3.403 -7.492 -2.592
151 HG3 LYS 18 1HG LYS 18 2.046 -7.390 -3.713
152 HD2 LYS 18 2HD LYS 18 3.305 -6.073 -5.225
153 HD3 LYS 18 1HD LYS 18 4.615 -5.848 -4.057
154 HE2 LYS 18 2HE LYS 18 3.762 -8.500 -5.209
155 HE3 LYS 18 1HE LYS 18 5.125 -7.545 -5.792
156 HZ1 LYS 18 1HZ LYS 18 4.911 -8.568 -2.980
157 HZ2 LYS 18 2HZ LYS 18 6.243 -7.828 -3.726
158 HZ3 LYS 18 3HZ LYS 18 5.739 -9.332 -4.233
159 H ARG 19 H ARG 19 2.416 -5.038 0.393
160 HA ARG 19 HA ARG 19 0.969 -2.642 0.666
161 HB2 ARG 19 2HB ARG 19 0.633 -4.616 2.087
162 HB3 ARG 19 1HB ARG 19 2.238 -4.417 2.759
163 HG2 ARG 19 2HG ARG 19 1.445 -2.181 3.650
164 HG3 ARG 19 1HG ARG 19 -0.188 -2.694 3.202
165 HD2 ARG 19 2HD ARG 19 0.123 -4.733 4.541
166 HD3 ARG 19 1HD ARG 19 1.697 -4.142 5.063
167 HE ARG 19 HE ARG 19 -0.937 -3.182 5.854
168 HH11 ARG 19 1HH1 ARG 19 2.613 -2.746 6.162
169 HH12 ARG 19 2HH1 ARG 19 2.494 -2.004 7.667
170 HH21 ARG 19 1HH2 ARG 19 -1.022 -2.150 7.945
171 HH22 ARG 19 2HH2 ARG 19 0.418 -1.638 8.694
172 H GLU 20 H GLU 20 4.138 -3.609 1.928
173 HA GLU 20 HA GLU 20 4.809 -1.173 3.131
174 HB2 GLU 20 2HB GLU 20 6.666 -3.291 2.079
175 HB3 GLU 20 1HB GLU 20 7.097 -2.031 3.223
176 HG2 GLU 20 2HG GLU 20 5.179 -4.298 3.652
177 HG3 GLU 20 1HG GLU 20 6.772 -4.107 4.372
178 H GLU 21 H GLU 21 5.750 -2.477 -0.053
179 HA GLU 21 HA GLU 21 7.213 -0.201 -0.781
180 HB2 GLU 21 2HB GLU 21 6.278 -2.606 -2.171
181 HB3 GLU 21 1HB GLU 21 6.451 -1.193 -3.199
182 HG2 GLU 21 2HG GLU 21 8.478 -2.561 -3.208
183 HG3 GLU 21 1HG GLU 21 8.778 -0.966 -2.542
184 H CYS 22 H CYS 22 3.793 -0.914 -1.059
185 HA CYS 22 HA CYS 22 3.198 1.259 -2.762
186 HB2 CYS 22 2HB CYS 22 1.581 -0.537 -2.394
187 HB3 CYS 22 1HB CYS 22 1.472 -0.108 -0.690
188 H LYS 23 H LYS 23 3.316 0.867 0.721
189 HA LYS 23 HA LYS 23 2.556 3.444 1.517
190 HB2 LYS 23 2HB LYS 23 2.612 1.513 3.025
191 HB3 LYS 23 1HB LYS 23 4.347 1.384 2.816
192 HG2 LYS 23 2HG LYS 23 4.676 3.463 4.025
193 HG3 LYS 23 1HG LYS 23 2.932 3.689 4.149
194 HD2 LYS 23 2HD LYS 23 3.903 2.801 6.244
195 HD3 LYS 23 1HD LYS 23 2.735 1.691 5.531
196 HE2 LYS 23 2HE LYS 23 4.561 0.353 4.606
197 HE3 LYS 23 1HE LYS 23 5.737 1.489 5.264
198 HZ1 LYS 23 1HZ LYS 23 5.127 0.856 7.461
199 HZ2 LYS 23 2HZ LYS 23 5.404 -0.571 6.584
200 HZ3 LYS 23 3HZ LYS 23 3.837 -0.081 6.922
201 H ARG 24 H ARG 24 5.431 2.177 0.213
202 HA ARG 24 HA ARG 24 7.229 4.336 0.962
203 HB2 ARG 24 2HB ARG 24 7.842 1.934 0.930
204 HB3 ARG 24 1HB ARG 24 7.520 1.904 -0.785
205 HG2 ARG 24 2HG ARG 24 9.388 3.481 -1.115
206 HG3 ARG 24 1HG ARG 24 9.738 3.371 0.618
207 HD2 ARG 24 2HD ARG 24 9.914 0.908 0.382
208 HD3 ARG 24 1HD ARG 24 9.700 1.089 -1.350
209 HE ARG 24 HE ARG 24 11.832 2.679 -0.662
210 HH11 ARG 24 1HH1 ARG 24 11.019 -0.787 -0.602
211 HH12 ARG 24 2HH1 ARG 24 12.654 -1.285 -0.674
212 HH21 ARG 24 1HH2 ARG 24 14.082 1.923 -0.753
213 HH22 ARG 24 2HH2 ARG 24 14.390 0.242 -0.750
214 H LYS 25 H LYS 25 4.947 3.724 -1.475
215 HA LYS 25 HA LYS 25 6.448 5.205 -3.516
216 HB2 LYS 25 2HB LYS 25 5.779 2.965 -4.203
217 HB3 LYS 25 1HB LYS 25 4.105 3.331 -3.822
218 HG2 LYS 25 2HG LYS 25 4.048 4.998 -5.591
219 HG3 LYS 25 1HG LYS 25 5.742 4.677 -5.960
220 HD2 LYS 25 2HD LYS 25 5.183 2.376 -6.556
221 HD3 LYS 25 1HD LYS 25 3.492 2.678 -6.155
222 HE2 LYS 25 2HE LYS 25 3.881 2.801 -8.573
223 HE3 LYS 25 1HE LYS 25 3.348 4.345 -7.918
224 HZ1 LYS 25 1HZ LYS 25 5.184 4.583 -9.495
225 HZ2 LYS 25 2HZ LYS 25 6.176 3.639 -8.517
226 HZ3 LYS 25 3HZ LYS 25 5.611 5.135 -7.971
227 H ALA 26 H ALA 26 3.127 4.888 -2.262
228 HA ALA 26 HA ALA 26 2.373 7.306 -3.652
229 HB1 ALA 26 1HB ALA 26 0.812 5.435 -3.593
230 HB2 ALA 26 2HB ALA 26 0.118 6.845 -2.787
231 HB3 ALA 26 3HB ALA 26 0.776 5.513 -1.836
Start of MODEL 5
1 H HIS 1 H HIS 1 1.849 8.592 -0.828
2 HA HIS 1 HA HIS 1 2.454 7.840 1.959
3 HB2 HIS 1 2HB HIS 1 2.641 10.564 0.662
4 HB3 HIS 1 1HB HIS 1 2.808 10.286 2.388
5 HD1 HIS 1 1HD HIS 1 5.068 11.495 0.482
6 HD2 HIS 1 2HD HIS 1 4.809 7.578 1.847
7 HE1 HIS 1 1HE HIS 1 7.401 10.615 0.456
8 H ASP 2 H ASP 2 0.098 8.876 -0.203
9 HA ASP 2 HA ASP 2 -1.620 10.199 1.630
10 HB2 ASP 2 2HB ASP 2 -2.179 8.941 -1.065
11 HB3 ASP 2 1HB ASP 2 -3.399 9.770 -0.115
12 HA PRO 3 HA PRO 3 -2.977 6.677 3.843
13 HB2 PRO 3 2HB PRO 3 -5.338 7.695 4.815
14 HB3 PRO 3 1HB PRO 3 -3.755 8.065 5.502
15 HG2 PRO 3 2HG PRO 3 -5.433 9.659 3.628
16 HG3 PRO 3 1HG PRO 3 -4.443 10.210 4.991
17 HD2 PRO 3 2HD PRO 3 -3.663 10.421 2.405
18 HD3 PRO 3 1HD PRO 3 -2.505 10.191 3.732
19 H GLU 4 H GLU 4 -4.960 8.239 1.485
20 HA GLU 4 HA GLU 4 -7.034 6.326 1.245
21 HB2 GLU 4 2HB GLU 4 -5.842 8.105 -0.865
22 HB3 GLU 4 1HB GLU 4 -7.400 7.305 -0.969
23 HG2 GLU 4 2HG GLU 4 -6.649 9.449 1.001
24 HG3 GLU 4 1HG GLU 4 -7.592 9.693 -0.465
25 H LYS 5 H LYS 5 -4.056 6.885 -0.611
26 HA LYS 5 HA LYS 5 -4.391 4.622 -2.249
27 HB2 LYS 5 2HB LYS 5 -2.879 6.689 -2.760
28 HB3 LYS 5 1HB LYS 5 -1.757 5.939 -1.661
29 HG2 LYS 5 2HG LYS 5 -1.168 5.415 -3.962
30 HG3 LYS 5 1HG LYS 5 -1.592 3.960 -3.058
31 HD2 LYS 5 2HD LYS 5 -3.886 4.086 -4.047
32 HD3 LYS 5 1HD LYS 5 -3.338 5.450 -5.021
33 HE2 LYS 5 2HE LYS 5 -1.690 4.013 -6.095
34 HE3 LYS 5 1HE LYS 5 -2.187 2.666 -5.074
35 HZ1 LYS 5 1HZ LYS 5 -3.293 2.450 -7.182
36 HZ2 LYS 5 2HZ LYS 5 -3.866 4.031 -7.115
37 HZ3 LYS 5 3HZ LYS 5 -4.417 2.884 -6.007
38 H ARG 6 H ARG 6 -2.557 5.229 0.703
39 HA ARG 6 HA ARG 6 -1.168 2.806 0.890
40 HB2 ARG 6 2HB ARG 6 -0.946 4.854 2.405
41 HB3 ARG 6 1HB ARG 6 -2.360 4.249 3.257
42 HG2 ARG 6 2HG ARG 6 -0.909 2.038 3.373
43 HG3 ARG 6 1HG ARG 6 0.418 3.188 3.207
44 HD2 ARG 6 2HD ARG 6 0.056 2.896 5.537
45 HD3 ARG 6 1HD ARG 6 -0.630 4.472 5.120
46 HE ARG 6 HE ARG 6 -2.369 2.104 5.189
47 HH11 ARG 6 1HH1 ARG 6 -1.517 5.210 6.690
48 HH12 ARG 6 2HH1 ARG 6 -2.977 5.314 7.533
49 HH21 ARG 6 1HH2 ARG 6 -4.226 2.214 6.314
50 HH22 ARG 6 2HH2 ARG 6 -4.628 3.532 7.327
51 H LYS 7 H LYS 7 -4.397 3.738 2.008
52 HA LYS 7 HA LYS 7 -5.108 1.377 3.350
53 HB2 LYS 7 2HB LYS 7 -6.328 3.586 3.452
54 HB3 LYS 7 1HB LYS 7 -6.941 3.209 1.843
55 HG2 LYS 7 2HG LYS 7 -8.633 2.690 3.475
56 HG3 LYS 7 1HG LYS 7 -8.036 1.207 2.735
57 HD2 LYS 7 2HD LYS 7 -6.615 0.786 4.664
58 HD3 LYS 7 1HD LYS 7 -7.151 2.303 5.392
59 HE2 LYS 7 2HE LYS 7 -9.446 1.442 5.435
60 HE3 LYS 7 1HE LYS 7 -8.878 -0.082 4.751
61 HZ1 LYS 7 1HZ LYS 7 -7.506 -0.388 6.734
62 HZ2 LYS 7 2HZ LYS 7 -9.132 -0.225 7.131
63 HZ3 LYS 7 3HZ LYS 7 -8.081 1.065 7.369
64 H GLU 8 H GLU 8 -5.655 2.471 0.036
65 HA GLU 8 HA GLU 8 -7.113 0.322 -0.876
66 HB2 GLU 8 2HB GLU 8 -6.893 2.269 -2.275
67 HB3 GLU 8 1HB GLU 8 -5.147 2.072 -2.369
68 HG2 GLU 8 2HG GLU 8 -5.464 -0.020 -3.603
69 HG3 GLU 8 1HG GLU 8 -7.204 0.207 -3.532
70 H CYS 9 H CYS 9 -3.623 0.817 -0.798
71 HA CYS 9 HA CYS 9 -2.972 -1.589 -2.018
72 HB2 CYS 9 2HB CYS 9 -1.334 0.142 -0.189
73 HB3 CYS 9 1HB CYS 9 -0.692 -1.234 -1.080
74 H GLU 10 H GLU 10 -3.419 -0.765 1.388
75 HA GLU 10 HA GLU 10 -2.447 -3.197 2.464
76 HB2 GLU 10 2HB GLU 10 -4.521 -1.318 3.588
77 HB3 GLU 10 1HB GLU 10 -3.731 -2.606 4.478
78 HG2 GLU 10 2HG GLU 10 -1.585 -1.467 4.184
79 HG3 GLU 10 1HG GLU 10 -2.409 -0.166 3.319
80 H LYS 11 H LYS 11 -5.577 -2.170 1.300
81 HA LYS 11 HA LYS 11 -6.948 -4.476 2.298
82 HB2 LYS 11 2HB LYS 11 -8.017 -2.230 2.004
83 HB3 LYS 11 1HB LYS 11 -7.852 -2.405 0.274
84 HG2 LYS 11 2HG LYS 11 -9.488 -4.309 1.954
85 HG3 LYS 11 1HG LYS 11 -10.150 -2.834 1.269
86 HD2 LYS 11 2HD LYS 11 -9.638 -3.656 -0.987
87 HD3 LYS 11 1HD LYS 11 -8.927 -5.112 -0.294
88 HE2 LYS 11 2HE LYS 11 -11.205 -5.520 -1.090
89 HE3 LYS 11 1HE LYS 11 -11.082 -5.731 0.654
90 HZ1 LYS 11 1HZ LYS 11 -12.062 -3.544 0.952
91 HZ2 LYS 11 2HZ LYS 11 -13.065 -4.508 0.020
92 HZ3 LYS 11 3HZ LYS 11 -12.150 -3.314 -0.714
93 H LYS 12 H LYS 12 -5.931 -3.349 -0.890
94 HA LYS 12 HA LYS 12 -7.014 -5.650 -2.175
95 HB2 LYS 12 2HB LYS 12 -5.295 -3.440 -3.222
96 HB3 LYS 12 1HB LYS 12 -6.029 -4.694 -4.225
97 HG2 LYS 12 2HG LYS 12 -8.267 -3.904 -3.428
98 HG3 LYS 12 1HG LYS 12 -7.448 -2.605 -2.567
99 HD2 LYS 12 2HD LYS 12 -8.289 -1.766 -4.672
100 HD3 LYS 12 1HD LYS 12 -6.526 -1.807 -4.726
101 HE2 LYS 12 2HE LYS 12 -6.622 -3.920 -5.950
102 HE3 LYS 12 1HE LYS 12 -8.383 -3.871 -5.900
103 HZ1 LYS 12 1HZ LYS 12 -7.583 -3.124 -7.991
104 HZ2 LYS 12 2HZ LYS 12 -6.585 -1.965 -7.293
105 HZ3 LYS 12 3HZ LYS 12 -8.258 -1.787 -7.216
106 H TYR 13 H TYR 13 -3.779 -4.815 -1.053
107 HA TYR 13 HA TYR 13 -2.822 -7.227 -2.394
108 HB2 TYR 13 2HB TYR 13 -1.212 -4.967 -1.184
109 HB3 TYR 13 1HB TYR 13 -0.555 -6.382 -1.991
110 HD1 TYR 13 1HD TYR 13 -0.940 -6.656 -4.478
111 HD2 TYR 13 2HD TYR 13 -1.912 -3.125 -2.370
112 HE1 TYR 13 1HE TYR 13 -1.024 -5.444 -6.592
113 HE2 TYR 13 2HE TYR 13 -2.005 -1.864 -4.483
114 HH TYR 13 HH TYR 13 -0.988 -2.111 -6.757
115 H THR 14 H THR 14 -2.474 -8.918 -1.221
116 HA THR 14 HA THR 14 -2.541 -8.661 1.675
117 HB THR 14 HB THR 14 -2.521 -11.185 -0.008
118 HG1 THR 14 1HG THR 14 -4.580 -9.469 0.883
119 HG21 THR 14 1HG2 THR 14 -1.938 -11.508 2.375
120 HG22 THR 14 2HG2 THR 14 -3.511 -12.214 2.002
121 HG23 THR 14 3HG2 THR 14 -3.415 -10.666 2.843
122 H ASP 15 H ASP 15 -0.417 -9.314 -0.972
123 HA ASP 15 HA ASP 15 1.655 -10.643 0.372
124 HB2 ASP 15 2HB ASP 15 1.496 -10.681 -2.029
125 HB3 ASP 15 1HB ASP 15 1.639 -8.932 -2.105
126 HA PRO 16 HA PRO 16 3.089 -7.358 3.010
127 HB2 PRO 16 2HB PRO 16 5.648 -8.839 2.916
128 HB3 PRO 16 1HB PRO 16 4.677 -8.361 4.309
129 HG2 PRO 16 2HG PRO 16 4.757 -10.893 3.482
130 HG3 PRO 16 1HG PRO 16 3.271 -10.172 4.123
131 HD2 PRO 16 2HD PRO 16 4.010 -10.790 1.305
132 HD3 PRO 16 1HD PRO 16 2.441 -10.877 2.135
133 H LYS 17 H LYS 17 5.179 -8.492 0.363
134 HA LYS 17 HA LYS 17 6.850 -6.219 0.463
135 HB2 LYS 17 2HB LYS 17 7.580 -8.344 -0.550
136 HB3 LYS 17 1HB LYS 17 6.407 -8.131 -1.835
137 HG2 LYS 17 2HG LYS 17 8.643 -7.551 -2.599
138 HG3 LYS 17 1HG LYS 17 7.596 -6.136 -2.605
139 HD2 LYS 17 2HD LYS 17 9.813 -5.568 -1.755
140 HD3 LYS 17 1HD LYS 17 8.608 -5.386 -0.488
141 HE2 LYS 17 2HE LYS 17 10.626 -6.438 0.382
142 HE3 LYS 17 1HE LYS 17 9.278 -7.565 0.446
143 HZ1 LYS 17 1HZ LYS 17 11.281 -8.635 -0.350
144 HZ2 LYS 17 2HZ LYS 17 11.436 -7.538 -1.602
145 HZ3 LYS 17 3HZ LYS 17 10.136 -8.618 -1.579
146 H LYS 18 H LYS 18 3.958 -6.977 -1.365
147 HA LYS 18 HA LYS 18 3.981 -4.692 -3.075
148 HB2 LYS 18 2HB LYS 18 1.535 -6.070 -1.972
149 HB3 LYS 18 1HB LYS 18 1.618 -5.097 -3.431
150 HG2 LYS 18 2HG LYS 18 3.010 -7.714 -2.994
151 HG3 LYS 18 1HG LYS 18 1.494 -7.500 -3.869
152 HD2 LYS 18 2HD LYS 18 2.564 -6.274 -5.560
153 HD3 LYS 18 1HD LYS 18 4.073 -6.147 -4.634
154 HE2 LYS 18 2HE LYS 18 2.846 -8.721 -5.647
155 HE3 LYS 18 1HE LYS 18 4.199 -7.879 -6.401
156 HZ1 LYS 18 1HZ LYS 18 4.819 -9.764 -4.893
157 HZ2 LYS 18 2HZ LYS 18 4.316 -8.837 -3.568
158 HZ3 LYS 18 3HZ LYS 18 5.556 -8.302 -4.560
159 H ARG 19 H ARG 19 2.618 -5.303 0.083
160 HA ARG 19 HA ARG 19 1.306 -2.822 0.437
161 HB2 ARG 19 2HB ARG 19 0.831 -4.934 1.684
162 HB3 ARG 19 1HB ARG 19 2.362 -4.754 2.514
163 HG2 ARG 19 2HG ARG 19 1.574 -2.747 3.610
164 HG3 ARG 19 1HG ARG 19 0.064 -2.812 2.694
165 HD2 ARG 19 2HD ARG 19 -0.415 -5.017 3.699
166 HD3 ARG 19 1HD ARG 19 1.044 -4.876 4.671
167 HE ARG 19 HE ARG 19 -0.265 -2.651 5.331
168 HH11 ARG 19 1HH1 ARG 19 -1.304 -6.062 5.254
169 HH12 ARG 19 2HH1 ARG 19 -2.536 -5.821 6.415
170 HH21 ARG 19 1HH2 ARG 19 -2.003 -2.369 6.878
171 HH22 ARG 19 2HH2 ARG 19 -2.911 -3.720 7.376
172 H GLU 20 H GLU 20 4.456 -4.056 1.418
173 HA GLU 20 HA GLU 20 5.460 -1.832 2.783
174 HB2 GLU 20 2HB GLU 20 6.449 -4.057 2.856
175 HB3 GLU 20 1HB GLU 20 6.866 -3.937 1.156
176 HG2 GLU 20 2HG GLU 20 8.331 -2.024 1.707
177 HG3 GLU 20 1HG GLU 20 7.988 -2.312 3.414
178 H GLU 21 H GLU 21 5.843 -2.846 -0.627
179 HA GLU 21 HA GLU 21 7.398 -0.804 -1.572
180 HB2 GLU 21 2HB GLU 21 6.873 -2.866 -2.768
181 HB3 GLU 21 1HB GLU 21 5.191 -2.358 -2.872
182 HG2 GLU 21 2HG GLU 21 5.833 -0.475 -4.204
183 HG3 GLU 21 1HG GLU 21 7.522 -1.001 -4.118
184 H CYS 22 H CYS 22 3.880 -1.094 -1.325
185 HA CYS 22 HA CYS 22 3.382 1.316 -2.623
186 HB2 CYS 22 2HB CYS 22 1.651 -0.419 -2.417
187 HB3 CYS 22 1HB CYS 22 1.550 -0.098 -0.688
188 H LYS 23 H LYS 23 3.714 0.597 0.878
189 HA LYS 23 HA LYS 23 3.005 3.276 1.566
190 HB2 LYS 23 2HB LYS 23 3.735 2.793 3.838
191 HB3 LYS 23 1HB LYS 23 2.785 1.458 3.208
192 HG2 LYS 23 2HG LYS 23 4.815 0.185 2.805
193 HG3 LYS 23 1HG LYS 23 5.789 1.536 3.377
194 HD2 LYS 23 2HD LYS 23 5.577 -0.114 5.136
195 HD3 LYS 23 1HD LYS 23 4.703 1.348 5.587
196 HE2 LYS 23 2HE LYS 23 2.594 0.309 4.936
197 HE3 LYS 23 1HE LYS 23 3.453 -1.140 4.415
198 HZ1 LYS 23 1HZ LYS 23 3.287 -0.078 7.177
199 HZ2 LYS 23 2HZ LYS 23 4.215 -1.415 6.704
200 HZ3 LYS 23 3HZ LYS 23 2.538 -1.469 6.582
201 H ARG 24 H ARG 24 5.880 1.934 0.362
202 HA ARG 24 HA ARG 24 7.508 4.165 1.277
203 HB2 ARG 24 2HB ARG 24 8.156 1.787 -0.469
204 HB3 ARG 24 1HB ARG 24 9.308 3.057 -0.084
205 HG2 ARG 24 2HG ARG 24 9.118 2.508 2.288
206 HG3 ARG 24 1HG ARG 24 7.965 1.233 1.896
207 HD2 ARG 24 2HD ARG 24 9.637 0.049 0.622
208 HD3 ARG 24 1HD ARG 24 10.790 1.362 0.851
209 HE ARG 24 HE ARG 24 10.123 0.631 3.368
210 HH11 ARG 24 1HH1 ARG 24 11.400 -1.174 0.606
211 HH12 ARG 24 2HH1 ARG 24 12.274 -2.286 1.555
212 HH21 ARG 24 1HH2 ARG 24 11.334 -0.875 4.664
213 HH22 ARG 24 2HH2 ARG 24 12.242 -2.112 3.920
214 H LYS 25 H LYS 25 5.268 3.779 -0.987
215 HA LYS 25 HA LYS 25 6.611 5.510 -2.950
216 HB2 LYS 25 2HB LYS 25 6.246 3.329 -3.900
217 HB3 LYS 25 1HB LYS 25 4.593 3.307 -3.325
218 HG2 LYS 25 2HG LYS 25 3.921 4.910 -4.944
219 HG3 LYS 25 1HG LYS 25 5.593 5.247 -5.395
220 HD2 LYS 25 2HD LYS 25 4.412 3.797 -7.031
221 HD3 LYS 25 1HD LYS 25 5.839 3.041 -6.337
222 HE2 LYS 25 2HE LYS 25 4.400 1.761 -4.797
223 HE3 LYS 25 1HE LYS 25 2.977 2.527 -5.496
224 HZ1 LYS 25 1HZ LYS 25 3.393 0.290 -6.424
225 HZ2 LYS 25 2HZ LYS 25 4.883 0.792 -7.001
226 HZ3 LYS 25 3HZ LYS 25 3.476 1.469 -7.605
227 H ALA 26 H ALA 26 3.469 4.594 -1.640
228 HA ALA 26 HA ALA 26 2.369 7.179 -2.356
229 HB1 ALA 26 1HB ALA 26 1.112 5.191 -2.982
230 HB2 ALA 26 2HB ALA 26 0.253 6.136 -1.764
231 HB3 ALA 26 3HB ALA 26 1.102 4.661 -1.298
Start of MODEL 6
1 H HIS 1 H HIS 1 1.351 8.807 -1.782
2 HA HIS 1 HA HIS 1 2.748 9.968 0.449
3 HB2 HIS 1 2HB HIS 1 0.799 11.223 -1.511
4 HB3 HIS 1 1HB HIS 1 1.848 12.094 -0.401
5 HD1 HIS 1 1HD HIS 1 1.666 11.465 -3.852
6 HD2 HIS 1 2HD HIS 1 4.721 11.130 -1.043
7 HE1 HIS 1 1HE HIS 1 3.805 11.547 -5.146
8 H ASP 2 H ASP 2 -0.514 9.300 -0.594
9 HA ASP 2 HA ASP 2 -1.669 10.316 1.859
10 HB2 ASP 2 2HB ASP 2 -2.921 8.953 -0.520
11 HB3 ASP 2 1HB ASP 2 -3.838 9.426 0.894
12 HA PRO 3 HA PRO 3 -1.352 6.394 3.980
13 HB2 PRO 3 2HB PRO 3 -3.361 6.857 5.812
14 HB3 PRO 3 1HB PRO 3 -1.720 7.491 5.975
15 HG2 PRO 3 2HG PRO 3 -4.182 8.843 4.945
16 HG3 PRO 3 1HG PRO 3 -2.919 9.481 6.014
17 HD2 PRO 3 2HD PRO 3 -2.999 10.087 3.392
18 HD3 PRO 3 1HD PRO 3 -1.453 9.868 4.251
19 H GLU 4 H GLU 4 -4.171 7.670 2.543
20 HA GLU 4 HA GLU 4 -5.924 5.462 2.836
21 HB2 GLU 4 2HB GLU 4 -5.889 7.634 0.739
22 HB3 GLU 4 1HB GLU 4 -7.245 6.576 1.108
23 HG2 GLU 4 2HG GLU 4 -7.419 7.513 3.324
24 HG3 GLU 4 1HG GLU 4 -6.007 8.526 3.034
25 H LYS 5 H LYS 5 -3.420 6.313 0.515
26 HA LYS 5 HA LYS 5 -4.304 4.358 -1.401
27 HB2 LYS 5 2HB LYS 5 -1.714 5.909 -1.327
28 HB3 LYS 5 1HB LYS 5 -2.304 4.965 -2.686
29 HG2 LYS 5 2HG LYS 5 -3.558 7.441 -1.533
30 HG3 LYS 5 1HG LYS 5 -2.701 7.304 -3.074
31 HD2 LYS 5 2HD LYS 5 -4.439 5.827 -3.912
32 HD3 LYS 5 1HD LYS 5 -5.247 5.869 -2.345
33 HE2 LYS 5 2HE LYS 5 -5.500 8.328 -2.611
34 HE3 LYS 5 1HE LYS 5 -4.830 8.166 -4.234
35 HZ1 LYS 5 1HZ LYS 5 -6.682 6.702 -4.792
36 HZ2 LYS 5 2HZ LYS 5 -7.229 8.210 -4.297
37 HZ3 LYS 5 3HZ LYS 5 -7.321 6.904 -3.246
38 H ARG 6 H ARG 6 -1.812 4.546 1.044
39 HA ARG 6 HA ARG 6 -0.592 2.087 0.319
40 HB2 ARG 6 2HB ARG 6 0.565 2.153 2.448
41 HB3 ARG 6 1HB ARG 6 0.515 3.783 1.797
42 HG2 ARG 6 2HG ARG 6 -1.363 4.300 3.280
43 HG3 ARG 6 1HG ARG 6 -1.263 2.672 3.940
44 HD2 ARG 6 2HD ARG 6 1.037 3.145 4.664
45 HD3 ARG 6 1HD ARG 6 0.853 4.800 4.070
46 HE ARG 6 HE ARG 6 -1.014 3.735 6.026
47 HH11 ARG 6 1HH1 ARG 6 1.435 6.156 5.171
48 HH12 ARG 6 2HH1 ARG 6 1.349 6.976 6.648
49 HH21 ARG 6 1HH2 ARG 6 -1.179 4.915 8.059
50 HH22 ARG 6 2HH2 ARG 6 -0.200 6.277 8.325
51 H LYS 7 H LYS 7 -3.288 2.952 2.377
52 HA LYS 7 HA LYS 7 -3.717 0.417 3.553
53 HB2 LYS 7 2HB LYS 7 -4.685 2.630 4.334
54 HB3 LYS 7 1HB LYS 7 -5.760 2.527 2.942
55 HG2 LYS 7 2HG LYS 7 -6.928 1.789 4.903
56 HG3 LYS 7 1HG LYS 7 -6.685 0.441 3.803
57 HD2 LYS 7 2HD LYS 7 -4.820 -0.379 5.119
58 HD3 LYS 7 1HD LYS 7 -4.925 1.016 6.192
59 HE2 LYS 7 2HE LYS 7 -7.139 0.288 6.913
60 HE3 LYS 7 1HE LYS 7 -7.050 -1.089 5.815
61 HZ1 LYS 7 1HZ LYS 7 -5.158 -1.910 7.034
62 HZ2 LYS 7 2HZ LYS 7 -6.462 -1.716 8.089
63 HZ3 LYS 7 3HZ LYS 7 -5.199 -0.603 8.093
64 H GLU 8 H GLU 8 -4.987 2.074 0.705
65 HA GLU 8 HA GLU 8 -6.641 0.011 0.008
66 HB2 GLU 8 2HB GLU 8 -5.567 2.324 -1.509
67 HB3 GLU 8 1HB GLU 8 -6.381 1.050 -2.404
68 HG2 GLU 8 2HG GLU 8 -7.533 2.651 -0.130
69 HG3 GLU 8 1HG GLU 8 -7.937 2.810 -1.841
70 H CYS 9 H CYS 9 -3.248 0.506 -0.671
71 HA CYS 9 HA CYS 9 -3.075 -1.704 -2.455
72 HB2 CYS 9 2HB CYS 9 -0.942 -0.259 -0.893
73 HB3 CYS 9 1HB CYS 9 -0.598 -1.557 -2.033
74 H GLU 10 H GLU 10 -2.839 -1.342 1.002
75 HA GLU 10 HA GLU 10 -1.903 -3.911 1.711
76 HB2 GLU 10 2HB GLU 10 -2.082 -1.913 3.227
77 HB3 GLU 10 1HB GLU 10 -3.819 -2.081 3.165
78 HG2 GLU 10 2HG GLU 10 -3.618 -4.315 4.173
79 HG3 GLU 10 1HG GLU 10 -1.887 -4.049 4.343
80 H LYS 11 H LYS 11 -4.952 -2.568 0.927
81 HA LYS 11 HA LYS 11 -6.542 -4.891 1.464
82 HB2 LYS 11 2HB LYS 11 -7.527 -2.779 1.827
83 HB3 LYS 11 1HB LYS 11 -6.993 -2.181 0.278
84 HG2 LYS 11 2HG LYS 11 -8.659 -3.420 -0.857
85 HG3 LYS 11 1HG LYS 11 -9.109 -4.283 0.627
86 HD2 LYS 11 2HD LYS 11 -10.026 -2.370 1.599
87 HD3 LYS 11 1HD LYS 11 -9.178 -1.291 0.494
88 HE2 LYS 11 2HE LYS 11 -11.402 -3.165 -0.299
89 HE3 LYS 11 1HE LYS 11 -11.608 -1.454 0.077
90 HZ1 LYS 11 1HZ LYS 11 -10.035 -2.599 -2.172
91 HZ2 LYS 11 2HZ LYS 11 -9.987 -0.976 -1.697
92 HZ3 LYS 11 3HZ LYS 11 -11.426 -1.619 -2.257
93 H LYS 12 H LYS 12 -5.314 -3.274 -1.426
94 HA LYS 12 HA LYS 12 -6.481 -4.891 -3.406
95 HB2 LYS 12 2HB LYS 12 -5.463 -2.679 -3.824
96 HB3 LYS 12 1HB LYS 12 -3.885 -3.351 -3.468
97 HG2 LYS 12 2HG LYS 12 -4.001 -4.759 -5.445
98 HG3 LYS 12 1HG LYS 12 -5.629 -4.169 -5.792
99 HD2 LYS 12 2HD LYS 12 -4.726 -1.871 -5.963
100 HD3 LYS 12 1HD LYS 12 -3.106 -2.509 -5.698
101 HE2 LYS 12 2HE LYS 12 -4.906 -3.279 -7.996
102 HE3 LYS 12 1HE LYS 12 -3.651 -2.054 -8.086
103 HZ1 LYS 12 1HZ LYS 12 -1.993 -3.781 -7.632
104 HZ2 LYS 12 2HZ LYS 12 -2.916 -4.149 -8.979
105 HZ3 LYS 12 3HZ LYS 12 -3.221 -4.946 -7.540
106 H TYR 13 H TYR 13 -3.273 -5.051 -1.897
107 HA TYR 13 HA TYR 13 -2.826 -7.631 -3.202
108 HB2 TYR 13 2HB TYR 13 -0.903 -5.830 -1.714
109 HB3 TYR 13 1HB TYR 13 -0.486 -7.338 -2.510
110 HD1 TYR 13 1HD TYR 13 -1.068 -3.807 -2.905
111 HD2 TYR 13 2HD TYR 13 -0.576 -7.465 -5.000
112 HE1 TYR 13 1HE TYR 13 -0.617 -2.556 -4.967
113 HE2 TYR 13 2HE TYR 13 -0.129 -6.241 -7.059
114 HH TYR 13 HH TYR 13 0.613 -3.033 -7.147
115 H THR 14 H THR 14 -2.526 -9.424 -1.973
116 HA THR 14 HA THR 14 -3.288 -9.203 0.819
117 HB THR 14 HB THR 14 -4.281 -11.018 -0.609
118 HG1 THR 14 1HG THR 14 -4.250 -11.534 1.521
119 HG21 THR 14 1HG2 THR 14 -1.459 -12.083 -0.684
120 HG22 THR 14 2HG2 THR 14 -2.392 -11.482 -2.057
121 HG23 THR 14 3HG2 THR 14 -2.887 -12.957 -1.234
122 H ASP 15 H ASP 15 -0.584 -9.107 -1.045
123 HA ASP 15 HA ASP 15 1.285 -10.429 0.699
124 HB2 ASP 15 2HB ASP 15 1.526 -10.407 -1.768
125 HB3 ASP 15 1HB ASP 15 1.750 -8.667 -1.714
126 HA PRO 16 HA PRO 16 1.611 -6.764 3.359
127 HB2 PRO 16 2HB PRO 16 3.964 -8.278 4.354
128 HB3 PRO 16 1HB PRO 16 2.608 -7.593 5.255
129 HG2 PRO 16 2HG PRO 16 2.747 -10.207 4.870
130 HG3 PRO 16 1HG PRO 16 1.196 -9.362 4.728
131 HD2 PRO 16 2HD PRO 16 3.015 -10.347 2.559
132 HD3 PRO 16 1HD PRO 16 1.244 -10.425 2.686
133 H LYS 17 H LYS 17 4.352 -8.118 1.549
134 HA LYS 17 HA LYS 17 6.005 -5.852 2.049
135 HB2 LYS 17 2HB LYS 17 6.797 -8.169 1.257
136 HB3 LYS 17 1HB LYS 17 6.299 -7.647 -0.351
137 HG2 LYS 17 2HG LYS 17 7.764 -5.570 0.197
138 HG3 LYS 17 1HG LYS 17 8.511 -6.637 1.382
139 HD2 LYS 17 2HD LYS 17 9.830 -6.843 -0.544
140 HD3 LYS 17 1HD LYS 17 8.804 -8.282 -0.554
141 HE2 LYS 17 2HE LYS 17 8.859 -7.314 -2.785
142 HE3 LYS 17 1HE LYS 17 7.250 -7.120 -2.095
143 HZ1 LYS 17 1HZ LYS 17 7.849 -5.084 -3.120
144 HZ2 LYS 17 2HZ LYS 17 9.344 -5.064 -2.370
145 HZ3 LYS 17 3HZ LYS 17 7.964 -4.801 -1.453
146 H LYS 18 H LYS 18 3.751 -6.838 -0.437
147 HA LYS 18 HA LYS 18 4.124 -4.646 -2.171
148 HB2 LYS 18 2HB LYS 18 1.810 -6.503 -1.718
149 HB3 LYS 18 1HB LYS 18 1.691 -5.174 -2.860
150 HG2 LYS 18 2HG LYS 18 3.852 -7.254 -2.984
151 HG3 LYS 18 1HG LYS 18 2.315 -7.383 -3.848
152 HD2 LYS 18 2HD LYS 18 2.733 -5.445 -5.090
153 HD3 LYS 18 1HD LYS 18 4.131 -4.986 -4.118
154 HE2 LYS 18 2HE LYS 18 5.285 -7.025 -4.941
155 HE3 LYS 18 1HE LYS 18 3.895 -7.348 -5.981
156 HZ1 LYS 18 1HZ LYS 18 4.291 -5.337 -7.153
157 HZ2 LYS 18 2HZ LYS 18 5.777 -6.153 -7.083
158 HZ3 LYS 18 3HZ LYS 18 5.469 -4.847 -6.062
159 H ARG 19 H ARG 19 2.150 -5.074 0.626
160 HA ARG 19 HA ARG 19 0.676 -2.707 0.725
161 HB2 ARG 19 2HB ARG 19 0.344 -4.417 2.356
162 HB3 ARG 19 1HB ARG 19 2.020 -4.359 2.858
163 HG2 ARG 19 2HG ARG 19 1.529 -2.028 3.705
164 HG3 ARG 19 1HG ARG 19 -0.177 -2.405 3.449
165 HD2 ARG 19 2HD ARG 19 0.447 -2.898 5.752
166 HD3 ARG 19 1HD ARG 19 0.069 -4.394 4.896
167 HE ARG 19 HE ARG 19 2.826 -3.804 4.736
168 HH11 ARG 19 1HH1 ARG 19 0.425 -5.233 6.891
169 HH12 ARG 19 2HH1 ARG 19 1.551 -6.045 7.857
170 HH21 ARG 19 1HH2 ARG 19 4.438 -4.881 6.121
171 HH22 ARG 19 2HH2 ARG 19 3.888 -5.827 7.406
172 H GLU 20 H GLU 20 3.911 -3.381 2.070
173 HA GLU 20 HA GLU 20 4.286 -0.602 2.670
174 HB2 GLU 20 2HB GLU 20 6.176 -2.919 2.954
175 HB3 GLU 20 1HB GLU 20 6.510 -1.283 3.522
176 HG2 GLU 20 2HG GLU 20 4.539 -1.372 4.956
177 HG3 GLU 20 1HG GLU 20 4.214 -3.000 4.371
178 H GLU 21 H GLU 21 5.092 -2.563 -0.029
179 HA GLU 21 HA GLU 21 7.113 -1.026 -1.185
180 HB2 GLU 21 2HB GLU 21 6.370 -3.313 -1.850
181 HB3 GLU 21 1HB GLU 21 4.883 -2.599 -2.451
182 HG2 GLU 21 2HG GLU 21 6.147 -1.304 -4.031
183 HG3 GLU 21 1HG GLU 21 7.636 -2.058 -3.431
184 H CYS 22 H CYS 22 3.596 -1.100 -1.565
185 HA CYS 22 HA CYS 22 3.417 1.137 -3.229
186 HB2 CYS 22 2HB CYS 22 1.621 -0.486 -3.103
187 HB3 CYS 22 1HB CYS 22 1.382 -0.135 -1.398
188 H LYS 23 H LYS 23 3.334 0.737 0.279
189 HA LYS 23 HA LYS 23 2.563 3.284 1.084
190 HB2 LYS 23 2HB LYS 23 2.862 1.416 2.650
191 HB3 LYS 23 1HB LYS 23 4.598 1.471 2.384
192 HG2 LYS 23 2HG LYS 23 4.650 3.743 3.334
193 HG3 LYS 23 1HG LYS 23 2.925 3.621 3.669
194 HD2 LYS 23 2HD LYS 23 3.362 1.688 5.121
195 HD3 LYS 23 1HD LYS 23 5.089 1.844 4.792
196 HE2 LYS 23 2HE LYS 23 5.057 4.108 5.758
197 HE3 LYS 23 1HE LYS 23 3.342 3.921 6.111
198 HZ1 LYS 23 1HZ LYS 23 3.902 2.037 7.522
199 HZ2 LYS 23 2HZ LYS 23 4.605 3.462 8.061
200 HZ3 LYS 23 3HZ LYS 23 5.549 2.300 7.249
201 H ARG 24 H ARG 24 5.624 2.210 -0.185
202 HA ARG 24 HA ARG 24 7.186 4.407 0.710
203 HB2 ARG 24 2HB ARG 24 7.988 2.110 0.090
204 HB3 ARG 24 1HB ARG 24 7.711 2.531 -1.588
205 HG2 ARG 24 2HG ARG 24 9.383 4.291 -1.437
206 HG3 ARG 24 1HG ARG 24 9.633 3.910 0.271
207 HD2 ARG 24 2HD ARG 24 10.261 1.609 -0.376
208 HD3 ARG 24 1HD ARG 24 10.116 2.080 -2.066
209 HE ARG 24 HE ARG 24 11.881 3.703 -0.507
210 HH11 ARG 24 1HH1 ARG 24 11.604 0.816 -2.549
211 HH12 ARG 24 2HH1 ARG 24 13.238 0.740 -2.961
212 HH21 ARG 24 1HH2 ARG 24 14.175 3.603 -1.044
213 HH22 ARG 24 2HH2 ARG 24 14.750 2.406 -2.095
214 H LYS 25 H LYS 25 5.026 3.925 -1.921
215 HA LYS 25 HA LYS 25 5.980 6.347 -3.273
216 HB2 LYS 25 2HB LYS 25 5.720 4.470 -4.784
217 HB3 LYS 25 1HB LYS 25 4.098 4.159 -4.185
218 HG2 LYS 25 2HG LYS 25 3.306 6.210 -5.133
219 HG3 LYS 25 1HG LYS 25 4.931 6.651 -5.649
220 HD2 LYS 25 2HD LYS 25 4.969 4.784 -7.182
221 HD3 LYS 25 1HD LYS 25 3.401 4.235 -6.590
222 HE2 LYS 25 2HE LYS 25 3.223 5.464 -8.727
223 HE3 LYS 25 1HE LYS 25 2.330 6.235 -7.423
224 HZ1 LYS 25 1HZ LYS 25 3.568 7.811 -8.792
225 HZ2 LYS 25 2HZ LYS 25 5.025 7.111 -8.381
226 HZ3 LYS 25 3HZ LYS 25 4.074 7.864 -7.201
227 H ALA 26 H ALA 26 3.312 4.938 -1.578
228 HA ALA 26 HA ALA 26 1.321 6.790 -2.210
229 HB1 ALA 26 1HB ALA 26 0.833 4.580 -1.325
230 HB2 ALA 26 2HB ALA 26 0.113 5.841 -0.315
231 HB3 ALA 26 3HB ALA 26 1.584 5.027 0.205
Start of MODEL 7
1 H HIS 1 H HIS 1 1.651 8.700 -1.577
2 HA HIS 1 HA HIS 1 2.599 9.567 1.039
3 HB2 HIS 1 2HB HIS 1 1.354 11.289 -1.125
4 HB3 HIS 1 1HB HIS 1 2.402 11.797 0.187
5 HD1 HIS 1 1HD HIS 1 2.451 10.781 -3.317
6 HD2 HIS 1 2HD HIS 1 5.159 10.956 -0.177
7 HE1 HIS 1 1HE HIS 1 4.735 10.638 -4.378
8 H ASP 2 H ASP 2 -0.257 9.407 -0.936
9 HA ASP 2 HA ASP 2 -2.050 10.622 0.918
10 HB2 ASP 2 2HB ASP 2 -2.629 8.861 -1.469
11 HB3 ASP 2 1HB ASP 2 -3.860 9.652 -0.505
12 HA PRO 3 HA PRO 3 -2.620 7.201 3.648
13 HB2 PRO 3 2HB PRO 3 -5.141 7.883 4.539
14 HB3 PRO 3 1HB PRO 3 -3.638 8.559 5.170
15 HG2 PRO 3 2HG PRO 3 -5.543 9.701 3.189
16 HG3 PRO 3 1HG PRO 3 -4.655 10.516 4.485
17 HD2 PRO 3 2HD PRO 3 -3.887 10.674 1.918
18 HD3 PRO 3 1HD PRO 3 -2.707 10.639 3.246
19 H GLU 4 H GLU 4 -5.207 8.159 1.453
20 HA GLU 4 HA GLU 4 -6.621 5.738 1.605
21 HB2 GLU 4 2HB GLU 4 -6.638 7.865 -0.517
22 HB3 GLU 4 1HB GLU 4 -7.757 6.507 -0.472
23 HG2 GLU 4 2HG GLU 4 -8.575 7.235 1.677
24 HG3 GLU 4 1HG GLU 4 -7.451 8.586 1.675
25 H LYS 5 H LYS 5 -3.880 6.685 -0.323
26 HA LYS 5 HA LYS 5 -4.094 4.433 -2.091
27 HB2 LYS 5 2HB LYS 5 -1.829 6.332 -1.512
28 HB3 LYS 5 1HB LYS 5 -1.685 5.008 -2.661
29 HG2 LYS 5 2HG LYS 5 -3.496 5.989 -3.984
30 HG3 LYS 5 1HG LYS 5 -3.613 7.306 -2.814
31 HD2 LYS 5 2HD LYS 5 -1.345 7.973 -3.290
32 HD3 LYS 5 1HD LYS 5 -1.149 6.629 -4.412
33 HE2 LYS 5 2HE LYS 5 -1.578 8.691 -5.636
34 HE3 LYS 5 1HE LYS 5 -2.910 7.560 -5.824
35 HZ1 LYS 5 1HZ LYS 5 -4.174 8.813 -4.194
36 HZ2 LYS 5 2HZ LYS 5 -3.689 9.809 -5.442
37 HZ3 LYS 5 3HZ LYS 5 -2.880 9.875 -3.960
38 H ARG 6 H ARG 6 -2.327 5.207 0.832
39 HA ARG 6 HA ARG 6 -0.855 2.810 1.055
40 HB2 ARG 6 2HB ARG 6 -1.900 4.666 3.213
41 HB3 ARG 6 1HB ARG 6 -0.783 3.343 3.514
42 HG2 ARG 6 2HG ARG 6 0.892 4.395 2.128
43 HG3 ARG 6 1HG ARG 6 -0.235 5.680 1.698
44 HD2 ARG 6 2HD ARG 6 1.347 6.407 3.412
45 HD3 ARG 6 1HD ARG 6 -0.304 6.411 4.020
46 HE ARG 6 HE ARG 6 0.482 4.049 4.875
47 HH11 ARG 6 1HH1 ARG 6 2.310 7.093 4.931
48 HH12 ARG 6 2HH1 ARG 6 3.120 6.760 6.373
49 HH21 ARG 6 1HH2 ARG 6 1.641 3.583 6.903
50 HH22 ARG 6 2HH2 ARG 6 2.745 4.701 7.517
51 H LYS 7 H LYS 7 -3.986 3.780 2.346
52 HA LYS 7 HA LYS 7 -4.712 1.397 3.594
53 HB2 LYS 7 2HB LYS 7 -5.870 3.630 3.802
54 HB3 LYS 7 1HB LYS 7 -6.533 3.324 2.196
55 HG2 LYS 7 2HG LYS 7 -8.183 2.786 3.860
56 HG3 LYS 7 1HG LYS 7 -7.651 1.331 3.029
57 HD2 LYS 7 2HD LYS 7 -6.167 0.765 4.874
58 HD3 LYS 7 1HD LYS 7 -6.629 2.246 5.716
59 HE2 LYS 7 2HE LYS 7 -8.915 1.448 5.871
60 HE3 LYS 7 1HE LYS 7 -8.481 -0.002 4.968
61 HZ1 LYS 7 1HZ LYS 7 -6.944 -0.586 6.723
62 HZ2 LYS 7 2HZ LYS 7 -8.520 -0.476 7.296
63 HZ3 LYS 7 3HZ LYS 7 -7.402 0.771 7.624
64 H GLU 8 H GLU 8 -5.166 2.552 0.298
65 HA GLU 8 HA GLU 8 -6.776 0.541 -0.622
66 HB2 GLU 8 2HB GLU 8 -6.456 2.539 -1.918
67 HB3 GLU 8 1HB GLU 8 -4.741 2.221 -2.075
68 HG2 GLU 8 2HG GLU 8 -5.155 0.379 -3.542
69 HG3 GLU 8 1HG GLU 8 -6.893 0.499 -3.274
70 H CYS 9 H CYS 9 -3.257 0.797 -0.565
71 HA CYS 9 HA CYS 9 -2.925 -1.746 -1.763
72 HB2 CYS 9 2HB CYS 9 -0.940 0.101 -0.456
73 HB3 CYS 9 1HB CYS 9 -0.487 -1.445 -1.178
74 H GLU 10 H GLU 10 -3.224 -0.704 1.528
75 HA GLU 10 HA GLU 10 -2.381 -3.091 2.802
76 HB2 GLU 10 2HB GLU 10 -2.834 -1.022 4.050
77 HB3 GLU 10 1HB GLU 10 -4.524 -1.088 3.574
78 HG2 GLU 10 2HG GLU 10 -4.662 -3.288 4.790
79 HG3 GLU 10 1HG GLU 10 -3.061 -2.941 5.430
80 H LYS 11 H LYS 11 -5.407 -1.969 1.483
81 HA LYS 11 HA LYS 11 -7.008 -4.177 2.254
82 HB2 LYS 11 2HB LYS 11 -7.929 -1.964 1.912
83 HB3 LYS 11 1HB LYS 11 -7.393 -1.977 0.243
84 HG2 LYS 11 2HG LYS 11 -8.986 -3.743 -0.271
85 HG3 LYS 11 1HG LYS 11 -9.496 -3.789 1.417
86 HD2 LYS 11 2HD LYS 11 -11.066 -2.494 0.053
87 HD3 LYS 11 1HD LYS 11 -10.278 -1.472 1.254
88 HE2 LYS 11 2HE LYS 11 -8.752 -0.625 -0.466
89 HE3 LYS 11 1HE LYS 11 -9.502 -1.679 -1.664
90 HZ1 LYS 11 1HZ LYS 11 -10.826 0.540 -0.206
91 HZ2 LYS 11 2HZ LYS 11 -11.579 -0.470 -1.327
92 HZ3 LYS 11 3HZ LYS 11 -10.357 0.565 -1.821
93 H LYS 12 H LYS 12 -5.622 -3.147 -0.833
94 HA LYS 12 HA LYS 12 -6.639 -5.394 -2.256
95 HB2 LYS 12 2HB LYS 12 -4.713 -3.220 -2.975
96 HB3 LYS 12 1HB LYS 12 -5.144 -4.502 -4.100
97 HG2 LYS 12 2HG LYS 12 -7.126 -2.613 -2.826
98 HG3 LYS 12 1HG LYS 12 -6.399 -2.361 -4.413
99 HD2 LYS 12 2HD LYS 12 -7.349 -4.508 -5.164
100 HD3 LYS 12 1HD LYS 12 -8.115 -4.711 -3.587
101 HE2 LYS 12 2HE LYS 12 -9.458 -2.737 -3.945
102 HE3 LYS 12 1HE LYS 12 -8.614 -2.400 -5.455
103 HZ1 LYS 12 1HZ LYS 12 -10.768 -3.456 -5.832
104 HZ2 LYS 12 2HZ LYS 12 -10.310 -4.800 -4.949
105 HZ3 LYS 12 3HZ LYS 12 -9.518 -4.425 -6.386
106 H TYR 13 H TYR 13 -3.430 -4.655 -0.867
107 HA TYR 13 HA TYR 13 -2.533 -7.114 -2.100
108 HB2 TYR 13 2HB TYR 13 -0.947 -4.852 -0.919
109 HB3 TYR 13 1HB TYR 13 -0.230 -6.383 -1.404
110 HD1 TYR 13 1HD TYR 13 -0.495 -7.092 -3.849
111 HD2 TYR 13 2HD TYR 13 -1.276 -3.142 -2.479
112 HE1 TYR 13 1HE TYR 13 -0.273 -6.265 -6.133
113 HE2 TYR 13 2HE TYR 13 -1.044 -2.300 -4.774
114 HH TYR 13 HH TYR 13 0.094 -3.026 -6.873
115 H THR 14 H THR 14 -2.614 -8.853 -1.061
116 HA THR 14 HA THR 14 -2.544 -9.004 1.800
117 HB THR 14 HB THR 14 -2.512 -11.512 1.137
118 HG1 THR 14 1HG THR 14 -2.472 -11.952 -0.901
119 HG21 THR 14 1HG2 THR 14 -4.813 -9.767 0.226
120 HG22 THR 14 2HG2 THR 14 -4.553 -10.349 1.871
121 HG23 THR 14 3HG2 THR 14 -4.910 -11.492 0.578
122 H ASP 15 H ASP 15 -0.566 -9.360 -0.984
123 HA ASP 15 HA ASP 15 1.680 -10.724 -0.023
124 HB2 ASP 15 2HB ASP 15 1.196 -10.331 -2.385
125 HB3 ASP 15 1HB ASP 15 1.442 -8.604 -2.161
126 HA PRO 16 HA PRO 16 2.995 -7.564 2.808
127 HB2 PRO 16 2HB PRO 16 5.405 -8.616 3.485
128 HB3 PRO 16 1HB PRO 16 3.869 -9.238 4.101
129 HG2 PRO 16 2HG PRO 16 5.563 -10.262 1.861
130 HG3 PRO 16 1HG PRO 16 4.721 -11.168 3.132
131 HD2 PRO 16 2HD PRO 16 3.734 -10.925 0.625
132 HD3 PRO 16 1HD PRO 16 2.690 -11.030 2.059
133 H LYS 17 H LYS 17 4.984 -8.469 0.026
134 HA LYS 17 HA LYS 17 6.706 -6.230 0.633
135 HB2 LYS 17 2HB LYS 17 8.153 -6.958 -1.229
136 HB3 LYS 17 1HB LYS 17 7.874 -8.234 -0.061
137 HG2 LYS 17 2HG LYS 17 6.196 -9.206 -1.595
138 HG3 LYS 17 1HG LYS 17 6.599 -7.960 -2.770
139 HD2 LYS 17 2HD LYS 17 7.771 -10.005 -3.311
140 HD3 LYS 17 1HD LYS 17 8.931 -8.782 -2.798
141 HE2 LYS 17 2HE LYS 17 9.096 -9.802 -0.605
142 HE3 LYS 17 1HE LYS 17 7.825 -10.954 -1.007
143 HZ1 LYS 17 1HZ LYS 17 10.049 -11.909 -1.176
144 HZ2 LYS 17 2HZ LYS 17 10.461 -10.780 -2.359
145 HZ3 LYS 17 3HZ LYS 17 9.266 -11.917 -2.667
146 H LYS 18 H LYS 18 4.324 -7.159 -1.766
147 HA LYS 18 HA LYS 18 4.621 -4.806 -3.352
148 HB2 LYS 18 2HB LYS 18 2.140 -6.485 -2.933
149 HB3 LYS 18 1HB LYS 18 2.348 -5.290 -4.198
150 HG2 LYS 18 2HG LYS 18 4.210 -6.655 -5.100
151 HG3 LYS 18 1HG LYS 18 3.827 -7.873 -3.869
152 HD2 LYS 18 2HD LYS 18 1.559 -8.042 -4.779
153 HD3 LYS 18 1HD LYS 18 1.985 -6.875 -6.029
154 HE2 LYS 18 2HE LYS 18 2.136 -9.096 -6.941
155 HE3 LYS 18 1HE LYS 18 3.752 -8.406 -6.805
156 HZ1 LYS 18 1HZ LYS 18 4.065 -9.692 -4.755
157 HZ2 LYS 18 2HZ LYS 18 3.719 -10.694 -6.059
158 HZ3 LYS 18 3HZ LYS 18 2.521 -10.345 -4.929
159 H ARG 19 H ARG 19 2.670 -5.654 -0.614
160 HA ARG 19 HA ARG 19 1.159 -3.300 -0.377
161 HB2 ARG 19 2HB ARG 19 0.541 -5.358 0.702
162 HB3 ARG 19 1HB ARG 19 2.038 -5.382 1.599
163 HG2 ARG 19 2HG ARG 19 1.307 -3.517 2.930
164 HG3 ARG 19 1HG ARG 19 -0.172 -3.379 1.963
165 HD2 ARG 19 2HD ARG 19 -0.937 -5.504 2.644
166 HD3 ARG 19 1HD ARG 19 0.617 -5.917 3.358
167 HE ARG 19 HE ARG 19 -0.063 -3.832 4.807
168 HH11 ARG 19 1HH1 ARG 19 -2.072 -6.532 3.773
169 HH12 ARG 19 2HH1 ARG 19 -2.904 -6.704 5.244
170 HH21 ARG 19 1HH2 ARG 19 -1.180 -4.035 6.860
171 HH22 ARG 19 2HH2 ARG 19 -2.391 -5.219 7.059
172 H GLU 20 H GLU 20 4.215 -4.339 1.138
173 HA GLU 20 HA GLU 20 4.750 -2.070 2.670
174 HB2 GLU 20 2HB GLU 20 5.985 -4.224 2.777
175 HB3 GLU 20 1HB GLU 20 6.718 -3.849 1.230
176 HG2 GLU 20 2HG GLU 20 8.290 -3.349 2.957
177 HG3 GLU 20 1HG GLU 20 7.731 -1.835 2.251
178 H GLU 21 H GLU 21 5.858 -2.919 -0.640
179 HA GLU 21 HA GLU 21 7.418 -0.726 -1.089
180 HB2 GLU 21 2HB GLU 21 7.204 -3.006 -2.238
181 HB3 GLU 21 1HB GLU 21 5.923 -2.240 -3.170
182 HG2 GLU 21 2HG GLU 21 8.048 -2.248 -4.289
183 HG3 GLU 21 1HG GLU 21 7.410 -0.614 -3.982
184 H CYS 22 H CYS 22 3.991 -1.287 -1.703
185 HA CYS 22 HA CYS 22 3.636 1.157 -3.089
186 HB2 CYS 22 2HB CYS 22 2.004 -0.611 -3.400
187 HB3 CYS 22 1HB CYS 22 1.617 -0.600 -1.683
188 H LYS 23 H LYS 23 3.012 0.138 0.253
189 HA LYS 23 HA LYS 23 1.817 2.452 1.205
190 HB2 LYS 23 2HB LYS 23 1.723 0.326 2.353
191 HB3 LYS 23 1HB LYS 23 3.457 0.362 2.607
192 HG2 LYS 23 2HG LYS 23 3.221 2.226 4.139
193 HG3 LYS 23 1HG LYS 23 1.487 2.287 3.826
194 HD2 LYS 23 2HD LYS 23 2.005 1.120 5.935
195 HD3 LYS 23 1HD LYS 23 1.200 0.064 4.778
196 HE2 LYS 23 2HE LYS 23 3.032 -1.075 5.927
197 HE3 LYS 23 1HE LYS 23 3.361 -0.951 4.202
198 HZ1 LYS 23 1HZ LYS 23 4.702 1.092 4.843
199 HZ2 LYS 23 2HZ LYS 23 5.316 -0.404 5.217
200 HZ3 LYS 23 3HZ LYS 23 4.612 0.530 6.440
201 H ARG 24 H ARG 24 5.231 1.616 1.045
202 HA ARG 24 HA ARG 24 6.123 3.897 2.527
203 HB2 ARG 24 2HB ARG 24 8.384 3.243 1.824
204 HB3 ARG 24 1HB ARG 24 7.469 1.847 2.372
205 HG2 ARG 24 2HG ARG 24 6.990 1.315 -0.008
206 HG3 ARG 24 1HG ARG 24 8.091 2.614 -0.455
207 HD2 ARG 24 2HD ARG 24 8.825 0.193 1.196
208 HD3 ARG 24 1HD ARG 24 9.141 0.374 -0.523
209 HE ARG 24 HE ARG 24 10.310 2.151 1.512
210 HH11 ARG 24 1HH1 ARG 24 10.634 0.332 -1.533
211 HH12 ARG 24 2HH1 ARG 24 12.307 0.464 -1.604
212 HH21 ARG 24 1HH2 ARG 24 12.657 2.321 1.417
213 HH22 ARG 24 2HH2 ARG 24 13.497 1.635 0.114
214 H LYS 25 H LYS 25 5.177 3.441 -0.742
215 HA LYS 25 HA LYS 25 6.663 5.773 -1.658
216 HB2 LYS 25 2HB LYS 25 6.875 3.706 -2.944
217 HB3 LYS 25 1HB LYS 25 5.137 3.629 -3.129
218 HG2 LYS 25 2HG LYS 25 5.136 5.509 -4.599
219 HG3 LYS 25 1HG LYS 25 6.832 5.850 -4.248
220 HD2 LYS 25 2HD LYS 25 6.625 4.744 -6.413
221 HD3 LYS 25 1HD LYS 25 7.472 3.713 -5.269
222 HE2 LYS 25 2HE LYS 25 5.934 2.374 -6.537
223 HE3 LYS 25 1HE LYS 25 5.358 2.473 -4.880
224 HZ1 LYS 25 1HZ LYS 25 3.735 4.149 -5.588
225 HZ2 LYS 25 2HZ LYS 25 3.586 2.736 -6.479
226 HZ3 LYS 25 3HZ LYS 25 4.333 4.068 -7.167
227 H ALA 26 H ALA 26 3.544 4.729 -0.778
228 HA ALA 26 HA ALA 26 2.092 6.739 -2.235
229 HB1 ALA 26 1HB ALA 26 1.073 4.564 -1.786
230 HB2 ALA 26 2HB ALA 26 0.142 5.867 -1.042
231 HB3 ALA 26 3HB ALA 26 1.200 4.863 -0.054
Start of MODEL 8
1 H HIS 1 H HIS 1 1.822 8.774 -1.189
2 HA HIS 1 HA HIS 1 2.485 8.847 1.664
3 HB2 HIS 1 2HB HIS 1 2.798 10.998 -0.454
4 HB3 HIS 1 1HB HIS 1 2.928 11.327 1.265
5 HD1 HIS 1 1HD HIS 1 5.254 10.984 2.292
6 HD2 HIS 1 2HD HIS 1 4.833 9.194 -1.437
7 HE1 HIS 1 1HE HIS 1 7.544 10.176 1.649
8 H ASP 2 H ASP 2 0.041 8.355 -0.057
9 HA ASP 2 HA ASP 2 -1.730 10.307 1.237
10 HB2 ASP 2 2HB ASP 2 -2.245 8.512 -1.133
11 HB3 ASP 2 1HB ASP 2 -3.517 9.363 -0.286
12 HA PRO 3 HA PRO 3 -2.930 7.032 3.978
13 HB2 PRO 3 2HB PRO 3 -5.416 8.108 4.607
14 HB3 PRO 3 1HB PRO 3 -3.908 8.522 5.424
15 HG2 PRO 3 2HG PRO 3 -5.368 9.987 3.278
16 HG3 PRO 3 1HG PRO 3 -4.458 10.634 4.651
17 HD2 PRO 3 2HD PRO 3 -3.494 10.609 2.134
18 HD3 PRO 3 1HD PRO 3 -2.436 10.429 3.555
19 H GLU 4 H GLU 4 -5.169 8.352 1.580
20 HA GLU 4 HA GLU 4 -6.965 6.199 1.421
21 HB2 GLU 4 2HB GLU 4 -6.169 8.182 -0.719
22 HB3 GLU 4 1HB GLU 4 -7.500 7.056 -0.871
23 HG2 GLU 4 2HG GLU 4 -8.347 9.232 -0.352
24 HG3 GLU 4 1HG GLU 4 -8.603 8.181 1.033
25 H LYS 5 H LYS 5 -4.052 6.932 -0.424
26 HA LYS 5 HA LYS 5 -4.283 4.686 -2.145
27 HB2 LYS 5 2HB LYS 5 -2.997 6.815 -2.624
28 HB3 LYS 5 1HB LYS 5 -1.772 6.231 -1.517
29 HG2 LYS 5 2HG LYS 5 -1.070 5.765 -3.763
30 HG3 LYS 5 1HG LYS 5 -1.477 4.237 -2.979
31 HD2 LYS 5 2HD LYS 5 -3.653 4.230 -4.085
32 HD3 LYS 5 1HD LYS 5 -3.295 5.789 -4.829
33 HE2 LYS 5 2HE LYS 5 -1.384 4.738 -5.995
34 HE3 LYS 5 1HE LYS 5 -1.841 3.187 -5.291
35 HZ1 LYS 5 1HZ LYS 5 -2.703 3.393 -7.516
36 HZ2 LYS 5 2HZ LYS 5 -3.477 4.830 -7.135
37 HZ3 LYS 5 3HZ LYS 5 -3.996 3.389 -6.427
38 H ARG 6 H ARG 6 -2.489 5.316 0.840
39 HA ARG 6 HA ARG 6 -1.118 2.865 0.884
40 HB2 ARG 6 2HB ARG 6 -1.917 4.698 3.147
41 HB3 ARG 6 1HB ARG 6 -0.956 3.250 3.387
42 HG2 ARG 6 2HG ARG 6 0.758 4.166 1.875
43 HG3 ARG 6 1HG ARG 6 -0.203 5.636 1.718
44 HD2 ARG 6 2HD ARG 6 -0.005 6.045 4.110
45 HD3 ARG 6 1HD ARG 6 0.901 4.546 4.306
46 HE ARG 6 HE ARG 6 2.269 6.009 2.422
47 HH11 ARG 6 1HH1 ARG 6 1.434 6.425 5.850
48 HH12 ARG 6 2HH1 ARG 6 2.735 7.468 6.170
49 HH21 ARG 6 1HH2 ARG 6 4.069 7.370 2.877
50 HH22 ARG 6 2HH2 ARG 6 4.290 8.023 4.427
51 H LYS 7 H LYS 7 -4.291 3.792 2.127
52 HA LYS 7 HA LYS 7 -4.839 1.312 3.346
53 HB2 LYS 7 2HB LYS 7 -6.168 3.385 3.798
54 HB3 LYS 7 1HB LYS 7 -6.794 3.238 2.150
55 HG2 LYS 7 2HG LYS 7 -8.404 2.395 3.815
56 HG3 LYS 7 1HG LYS 7 -7.887 1.168 2.666
57 HD2 LYS 7 2HD LYS 7 -6.317 0.258 4.298
58 HD3 LYS 7 1HD LYS 7 -6.779 1.509 5.453
59 HE2 LYS 7 2HE LYS 7 -8.611 -0.601 4.311
60 HE3 LYS 7 1HE LYS 7 -7.856 -0.664 5.901
61 HZ1 LYS 7 1HZ LYS 7 -10.112 0.121 6.039
62 HZ2 LYS 7 2HZ LYS 7 -9.802 1.375 4.972
63 HZ3 LYS 7 3HZ LYS 7 -9.059 1.359 6.489
64 H GLU 8 H GLU 8 -5.423 2.612 0.140
65 HA GLU 8 HA GLU 8 -7.009 0.614 -0.847
66 HB2 GLU 8 2HB GLU 8 -6.590 2.760 -1.978
67 HB3 GLU 8 1HB GLU 8 -4.950 2.254 -2.340
68 HG2 GLU 8 2HG GLU 8 -6.375 2.076 -4.296
69 HG3 GLU 8 1HG GLU 8 -5.811 0.487 -3.783
70 H CYS 9 H CYS 9 -3.468 0.902 -0.858
71 HA CYS 9 HA CYS 9 -3.066 -1.609 -2.122
72 HB2 CYS 9 2HB CYS 9 -1.152 0.152 -0.612
73 HB3 CYS 9 1HB CYS 9 -0.684 -1.311 -1.474
74 H GLU 10 H GLU 10 -3.260 -0.616 1.234
75 HA GLU 10 HA GLU 10 -2.296 -3.013 2.398
76 HB2 GLU 10 2HB GLU 10 -2.555 -0.796 3.545
77 HB3 GLU 10 1HB GLU 10 -4.287 -0.992 3.474
78 HG2 GLU 10 2HG GLU 10 -2.615 -3.015 4.914
79 HG3 GLU 10 1HG GLU 10 -2.974 -1.472 5.669
80 H LYS 11 H LYS 11 -5.436 -1.869 1.464
81 HA LYS 11 HA LYS 11 -6.961 -4.089 2.291
82 HB2 LYS 11 2HB LYS 11 -7.948 -1.925 1.989
83 HB3 LYS 11 1HB LYS 11 -7.429 -1.866 0.318
84 HG2 LYS 11 2HG LYS 11 -8.964 -3.670 -0.213
85 HG3 LYS 11 1HG LYS 11 -9.501 -3.716 1.466
86 HD2 LYS 11 2HD LYS 11 -10.339 -1.465 1.312
87 HD3 LYS 11 1HD LYS 11 -9.657 -1.279 -0.304
88 HE2 LYS 11 2HE LYS 11 -11.769 -3.272 0.464
89 HE3 LYS 11 1HE LYS 11 -12.087 -1.720 -0.310
90 HZ1 LYS 11 1HZ LYS 11 -12.016 -3.572 -1.903
91 HZ2 LYS 11 2HZ LYS 11 -10.400 -3.874 -1.499
92 HZ3 LYS 11 3HZ LYS 11 -10.827 -2.432 -2.221
93 H LYS 12 H LYS 12 -5.545 -3.179 -0.845
94 HA LYS 12 HA LYS 12 -6.633 -5.423 -2.206
95 HB2 LYS 12 2HB LYS 12 -6.123 -3.397 -3.441
96 HB3 LYS 12 1HB LYS 12 -4.426 -3.533 -3.017
97 HG2 LYS 12 2HG LYS 12 -4.780 -4.233 -5.315
98 HG3 LYS 12 1HG LYS 12 -4.263 -5.602 -4.332
99 HD2 LYS 12 2HD LYS 12 -6.634 -6.297 -4.133
100 HD3 LYS 12 1HD LYS 12 -7.083 -4.978 -5.213
101 HE2 LYS 12 2HE LYS 12 -5.282 -7.314 -5.873
102 HE3 LYS 12 1HE LYS 12 -6.939 -7.095 -6.412
103 HZ1 LYS 12 1HZ LYS 12 -4.656 -5.329 -7.128
104 HZ2 LYS 12 2HZ LYS 12 -6.245 -5.130 -7.650
105 HZ3 LYS 12 3HZ LYS 12 -5.361 -6.475 -8.130
106 H TYR 13 H TYR 13 -3.344 -4.708 -1.014
107 HA TYR 13 HA TYR 13 -2.491 -7.231 -2.099
108 HB2 TYR 13 2HB TYR 13 -0.937 -4.968 -0.881
109 HB3 TYR 13 1HB TYR 13 -0.202 -6.489 -1.376
110 HD1 TYR 13 1HD TYR 13 -1.869 -3.437 -2.549
111 HD2 TYR 13 2HD TYR 13 0.122 -7.006 -3.694
112 HE1 TYR 13 1HE TYR 13 -1.690 -2.589 -4.836
113 HE2 TYR 13 2HE TYR 13 0.311 -6.182 -5.979
114 HH TYR 13 HH TYR 13 -0.336 -2.947 -6.821
115 H THR 14 H THR 14 -2.353 -8.989 -1.069
116 HA THR 14 HA THR 14 -2.349 -9.014 1.810
117 HB THR 14 HB THR 14 -2.475 -11.536 1.394
118 HG1 THR 14 1HG THR 14 -1.786 -11.808 -0.610
119 HG21 THR 14 1HG2 THR 14 -4.851 -11.481 0.768
120 HG22 THR 14 2HG2 THR 14 -4.663 -9.824 0.193
121 HG23 THR 14 3HG2 THR 14 -4.475 -10.188 1.908
122 H ASP 15 H ASP 15 -0.385 -9.445 -0.986
123 HA ASP 15 HA ASP 15 1.834 -10.779 0.104
124 HB2 ASP 15 2HB ASP 15 1.559 -10.557 -2.311
125 HB3 ASP 15 1HB ASP 15 1.675 -8.806 -2.187
126 HA PRO 16 HA PRO 16 2.999 -7.537 2.881
127 HB2 PRO 16 2HB PRO 16 5.441 -8.540 3.580
128 HB3 PRO 16 1HB PRO 16 3.915 -9.115 4.257
129 HG2 PRO 16 2HG PRO 16 5.554 -10.268 2.038
130 HG3 PRO 16 1HG PRO 16 4.747 -11.100 3.379
131 HD2 PRO 16 2HD PRO 16 3.683 -11.049 0.927
132 HD3 PRO 16 1HD PRO 16 2.659 -10.951 2.376
133 H LYS 17 H LYS 17 5.075 -8.563 0.249
134 HA LYS 17 HA LYS 17 6.964 -6.470 0.676
135 HB2 LYS 17 2HB LYS 17 6.598 -8.274 -1.723
136 HB3 LYS 17 1HB LYS 17 7.987 -7.237 -1.424
137 HG2 LYS 17 2HG LYS 17 7.134 -9.565 0.302
138 HG3 LYS 17 1HG LYS 17 8.454 -9.579 -0.865
139 HD2 LYS 17 2HD LYS 17 9.651 -7.899 0.421
140 HD3 LYS 17 1HD LYS 17 8.302 -7.763 1.545
141 HE2 LYS 17 2HE LYS 17 10.076 -9.132 2.496
142 HE3 LYS 17 1HE LYS 17 8.621 -10.081 2.224
143 HZ1 LYS 17 1HZ LYS 17 11.002 -10.056 0.452
144 HZ2 LYS 17 2HZ LYS 17 9.640 -11.036 0.246
145 HZ3 LYS 17 3HZ LYS 17 10.636 -11.254 1.557
146 H LYS 18 H LYS 18 4.526 -7.092 -1.817
147 HA LYS 18 HA LYS 18 4.886 -4.604 -3.144
148 HB2 LYS 18 2HB LYS 18 2.430 -6.365 -3.110
149 HB3 LYS 18 1HB LYS 18 2.792 -5.120 -4.296
150 HG2 LYS 18 2HG LYS 18 4.728 -6.379 -5.055
151 HG3 LYS 18 1HG LYS 18 4.410 -7.607 -3.826
152 HD2 LYS 18 2HD LYS 18 2.203 -8.016 -4.881
153 HD3 LYS 18 1HD LYS 18 2.651 -6.885 -6.161
154 HE2 LYS 18 2HE LYS 18 3.062 -9.166 -6.879
155 HE3 LYS 18 1HE LYS 18 4.586 -8.299 -6.712
156 HZ1 LYS 18 1HZ LYS 18 4.895 -9.397 -4.530
157 HZ2 LYS 18 2HZ LYS 18 4.741 -10.520 -5.753
158 HZ3 LYS 18 3HZ LYS 18 3.443 -10.217 -4.748
159 H ARG 19 H ARG 19 2.779 -5.637 -0.559
160 HA ARG 19 HA ARG 19 1.148 -3.352 -0.349
161 HB2 ARG 19 2HB ARG 19 0.632 -5.491 0.695
162 HB3 ARG 19 1HB ARG 19 2.061 -5.373 1.691
163 HG2 ARG 19 2HG ARG 19 1.078 -3.506 2.896
164 HG3 ARG 19 1HG ARG 19 -0.347 -3.590 1.853
165 HD2 ARG 19 2HD ARG 19 -0.899 -5.762 2.618
166 HD3 ARG 19 1HD ARG 19 0.640 -5.929 3.452
167 HE ARG 19 HE ARG 19 -0.564 -3.772 4.594
168 HH11 ARG 19 1HH1 ARG 19 -1.575 -7.123 4.055
169 HH12 ARG 19 2HH1 ARG 19 -2.340 -7.299 5.550
170 HH21 ARG 19 1HH2 ARG 19 -1.616 -4.018 6.694
171 HH22 ARG 19 2HH2 ARG 19 -2.388 -5.487 7.074
172 H GLU 20 H GLU 20 4.211 -4.257 1.205
173 HA GLU 20 HA GLU 20 4.540 -1.925 2.736
174 HB2 GLU 20 2HB GLU 20 5.743 -4.022 3.166
175 HB3 GLU 20 1HB GLU 20 6.586 -3.858 1.638
176 HG2 GLU 20 2HG GLU 20 7.971 -3.243 3.545
177 HG3 GLU 20 1HG GLU 20 7.724 -1.898 2.436
178 H GLU 21 H GLU 21 5.726 -2.877 -0.464
179 HA GLU 21 HA GLU 21 7.260 -0.652 -1.090
180 HB2 GLU 21 2HB GLU 21 5.555 -2.335 -2.891
181 HB3 GLU 21 1HB GLU 21 6.704 -1.134 -3.457
182 HG2 GLU 21 2HG GLU 21 7.328 -3.595 -1.847
183 HG3 GLU 21 1HG GLU 21 7.622 -3.376 -3.570
184 H CYS 22 H CYS 22 3.801 -1.176 -1.537
185 HA CYS 22 HA CYS 22 3.447 1.297 -2.783
186 HB2 CYS 22 2HB CYS 22 1.781 -0.533 -2.972
187 HB3 CYS 22 1HB CYS 22 1.342 -0.269 -1.285
188 H LYS 23 H LYS 23 3.145 0.252 0.607
189 HA LYS 23 HA LYS 23 2.266 2.720 1.610
190 HB2 LYS 23 2HB LYS 23 2.072 0.723 2.949
191 HB3 LYS 23 1HB LYS 23 3.810 0.484 2.939
192 HG2 LYS 23 2HG LYS 23 4.161 2.237 4.463
193 HG3 LYS 23 1HG LYS 23 2.548 2.899 4.205
194 HD2 LYS 23 2HD LYS 23 2.764 1.727 6.375
195 HD3 LYS 23 1HD LYS 23 1.546 1.003 5.335
196 HE2 LYS 23 2HE LYS 23 2.819 -0.727 6.420
197 HE3 LYS 23 1HE LYS 23 3.176 -0.740 4.698
198 HZ1 LYS 23 1HZ LYS 23 5.132 -1.025 6.057
199 HZ2 LYS 23 2HZ LYS 23 4.949 0.478 6.777
200 HZ3 LYS 23 3HZ LYS 23 5.271 0.318 5.119
201 H ARG 24 H ARG 24 5.406 1.632 0.725
202 HA ARG 24 HA ARG 24 6.844 3.863 1.810
203 HB2 ARG 24 2HB ARG 24 7.578 1.789 -0.262
204 HB3 ARG 24 1HB ARG 24 8.688 3.019 0.314
205 HG2 ARG 24 2HG ARG 24 8.625 2.104 2.538
206 HG3 ARG 24 1HG ARG 24 7.366 0.962 2.070
207 HD2 ARG 24 2HD ARG 24 8.890 -0.177 0.578
208 HD3 ARG 24 1HD ARG 24 10.139 1.034 0.872
209 HE ARG 24 HE ARG 24 9.649 0.172 3.317
210 HH11 ARG 24 1HH1 ARG 24 10.125 -1.842 0.379
211 HH12 ARG 24 2HH1 ARG 24 11.001 -3.024 1.230
212 HH21 ARG 24 1HH2 ARG 24 10.795 -1.566 4.407
213 HH22 ARG 24 2HH2 ARG 24 11.381 -2.893 3.502
214 H LYS 25 H LYS 25 5.140 3.187 -1.151
215 HA LYS 25 HA LYS 25 6.469 5.271 -2.697
216 HB2 LYS 25 2HB LYS 25 5.874 3.107 -3.706
217 HB3 LYS 25 1HB LYS 25 4.181 3.411 -3.368
218 HG2 LYS 25 2HG LYS 25 4.319 5.399 -4.887
219 HG3 LYS 25 1HG LYS 25 5.948 4.885 -5.319
220 HD2 LYS 25 2HD LYS 25 3.419 3.261 -5.702
221 HD3 LYS 25 1HD LYS 25 4.290 4.116 -6.969
222 HE2 LYS 25 2HE LYS 25 5.419 1.842 -5.316
223 HE3 LYS 25 1HE LYS 25 4.745 1.679 -6.931
224 HZ1 LYS 25 1HZ LYS 25 6.471 3.061 -7.801
225 HZ2 LYS 25 2HZ LYS 25 7.193 1.836 -6.905
226 HZ3 LYS 25 3HZ LYS 25 7.090 3.389 -6.280
227 H ALA 26 H ALA 26 3.386 4.600 -1.220
228 HA ALA 26 HA ALA 26 2.173 6.995 -2.270
229 HB1 ALA 26 1HB ALA 26 0.887 4.944 -2.201
230 HB2 ALA 26 2HB ALA 26 0.177 6.185 -1.160
231 HB3 ALA 26 3HB ALA 26 1.101 4.863 -0.452
Start of MODEL 9
1 H HIS 1 H HIS 1 2.303 8.304 -0.462
2 HA HIS 1 HA HIS 1 2.042 7.415 2.314
3 HB2 HIS 1 2HB HIS 1 2.896 10.113 1.221
4 HB3 HIS 1 1HB HIS 1 2.855 9.666 2.919
5 HD1 HIS 1 1HD HIS 1 4.984 9.481 -0.092
6 HD2 HIS 1 2HD HIS 1 4.812 7.762 3.677
7 HE1 HIS 1 1HE HIS 1 7.221 8.377 0.260
8 H ASP 2 H ASP 2 0.299 8.801 -0.201
9 HA ASP 2 HA ASP 2 -1.437 10.396 1.398
10 HB2 ASP 2 2HB ASP 2 -2.006 9.314 -1.390
11 HB3 ASP 2 1HB ASP 2 -2.924 10.540 -0.541
12 HA PRO 3 HA PRO 3 -3.777 7.534 3.684
13 HB2 PRO 3 2HB PRO 3 -6.021 9.189 2.617
14 HB3 PRO 3 1HB PRO 3 -5.741 8.595 4.258
15 HG2 PRO 3 2HG PRO 3 -5.131 11.083 3.617
16 HG3 PRO 3 1HG PRO 3 -4.077 10.134 4.679
17 HD2 PRO 3 2HD PRO 3 -3.665 10.968 1.873
18 HD3 PRO 3 1HD PRO 3 -2.478 10.588 3.141
19 H GLU 4 H GLU 4 -5.681 8.330 0.736
20 HA GLU 4 HA GLU 4 -7.096 5.870 0.853
21 HB2 GLU 4 2HB GLU 4 -6.875 7.877 -1.393
22 HB3 GLU 4 1HB GLU 4 -8.024 6.555 -1.318
23 HG2 GLU 4 2HG GLU 4 -9.167 7.485 0.501
24 HG3 GLU 4 1HG GLU 4 -7.871 8.634 0.827
25 H LYS 5 H LYS 5 -4.321 6.963 -0.895
26 HA LYS 5 HA LYS 5 -4.106 4.843 -2.756
27 HB2 LYS 5 2HB LYS 5 -1.954 6.558 -1.516
28 HB3 LYS 5 1HB LYS 5 -1.688 5.514 -2.896
29 HG2 LYS 5 2HG LYS 5 -3.333 6.874 -4.168
30 HG3 LYS 5 1HG LYS 5 -3.480 7.933 -2.765
31 HD2 LYS 5 2HD LYS 5 -1.062 8.423 -2.893
32 HD3 LYS 5 1HD LYS 5 -0.943 7.375 -4.296
33 HE2 LYS 5 2HE LYS 5 -2.394 8.826 -5.573
34 HE3 LYS 5 1HE LYS 5 -2.688 9.826 -4.151
35 HZ1 LYS 5 1HZ LYS 5 -1.032 10.825 -5.628
36 HZ2 LYS 5 2HZ LYS 5 -0.028 9.481 -5.451
37 HZ3 LYS 5 3HZ LYS 5 -0.395 10.455 -4.119
38 H ARG 6 H ARG 6 -2.451 5.369 0.344
39 HA ARG 6 HA ARG 6 -1.333 2.752 0.283
40 HB2 ARG 6 2HB ARG 6 -0.556 3.179 2.593
41 HB3 ARG 6 1HB ARG 6 -0.047 4.383 1.425
42 HG2 ARG 6 2HG ARG 6 -1.549 5.983 2.274
43 HG3 ARG 6 1HG ARG 6 -2.428 4.771 3.208
44 HD2 ARG 6 2HD ARG 6 -0.893 6.198 4.556
45 HD3 ARG 6 1HD ARG 6 -0.588 4.472 4.685
46 HE ARG 6 HE ARG 6 1.048 5.424 2.664
47 HH11 ARG 6 1HH1 ARG 6 0.644 6.027 6.127
48 HH12 ARG 6 2HH1 ARG 6 2.300 6.251 6.419
49 HH21 ARG 6 1HH2 ARG 6 3.344 5.671 3.111
50 HH22 ARG 6 2HH2 ARG 6 3.842 6.047 4.703
51 H LYS 7 H LYS 7 -4.258 4.093 1.647
52 HA LYS 7 HA LYS 7 -4.780 1.976 3.414
53 HB2 LYS 7 2HB LYS 7 -6.108 4.157 3.317
54 HB3 LYS 7 1HB LYS 7 -6.867 3.496 1.867
55 HG2 LYS 7 2HG LYS 7 -8.333 3.155 3.766
56 HG3 LYS 7 1HG LYS 7 -7.736 1.614 3.164
57 HD2 LYS 7 2HD LYS 7 -6.019 1.576 4.941
58 HD3 LYS 7 1HD LYS 7 -6.646 3.102 5.558
59 HE2 LYS 7 2HE LYS 7 -8.198 0.522 5.376
60 HE3 LYS 7 1HE LYS 7 -7.413 1.119 6.835
61 HZ1 LYS 7 1HZ LYS 7 -8.898 3.052 6.742
62 HZ2 LYS 7 2HZ LYS 7 -9.732 1.601 6.844
63 HZ3 LYS 7 3HZ LYS 7 -9.664 2.407 5.378
64 H GLU 8 H GLU 8 -5.677 2.548 0.033
65 HA GLU 8 HA GLU 8 -6.958 0.131 -0.235
66 HB2 GLU 8 2HB GLU 8 -5.754 1.958 -2.266
67 HB3 GLU 8 1HB GLU 8 -6.415 0.400 -2.743
68 HG2 GLU 8 2HG GLU 8 -7.892 2.600 -1.335
69 HG3 GLU 8 1HG GLU 8 -8.049 2.148 -3.034
70 H CYS 9 H CYS 9 -3.566 0.979 -0.744
71 HA CYS 9 HA CYS 9 -2.857 -1.538 -1.722
72 HB2 CYS 9 2HB CYS 9 -1.181 0.507 -0.278
73 HB3 CYS 9 1HB CYS 9 -0.509 -0.997 -0.906
74 H GLU 10 H GLU 10 -3.089 -0.414 1.587
75 HA GLU 10 HA GLU 10 -2.101 -2.750 2.861
76 HB2 GLU 10 2HB GLU 10 -2.227 -0.544 3.925
77 HB3 GLU 10 1HB GLU 10 -3.971 -0.553 3.783
78 HG2 GLU 10 2HG GLU 10 -3.288 -0.998 6.058
79 HG3 GLU 10 1HG GLU 10 -4.080 -2.412 5.367
80 H LYS 11 H LYS 11 -5.196 -1.719 1.693
81 HA LYS 11 HA LYS 11 -6.775 -3.725 2.993
82 HB2 LYS 11 2HB LYS 11 -7.464 -1.391 2.405
83 HB3 LYS 11 1HB LYS 11 -7.452 -1.868 0.725
84 HG2 LYS 11 2HG LYS 11 -9.277 -3.379 1.099
85 HG3 LYS 11 1HG LYS 11 -9.248 -3.044 2.836
86 HD2 LYS 11 2HD LYS 11 -9.631 -0.631 2.310
87 HD3 LYS 11 1HD LYS 11 -9.838 -1.077 0.620
88 HE2 LYS 11 2HE LYS 11 -11.758 -2.456 1.217
89 HE3 LYS 11 1HE LYS 11 -11.525 -2.056 2.919
90 HZ1 LYS 11 1HZ LYS 11 -13.241 -0.667 1.957
91 HZ2 LYS 11 2HZ LYS 11 -12.200 -0.129 0.753
92 HZ3 LYS 11 3HZ LYS 11 -11.921 0.296 2.345
93 H LYS 12 H LYS 12 -5.563 -3.175 -0.291
94 HA LYS 12 HA LYS 12 -6.878 -5.523 -1.324
95 HB2 LYS 12 2HB LYS 12 -5.089 -3.485 -2.625
96 HB3 LYS 12 1HB LYS 12 -5.766 -4.862 -3.476
97 HG2 LYS 12 2HG LYS 12 -7.397 -2.709 -2.123
98 HG3 LYS 12 1HG LYS 12 -7.015 -2.752 -3.845
99 HD2 LYS 12 2HD LYS 12 -8.165 -4.924 -4.022
100 HD3 LYS 12 1HD LYS 12 -8.571 -4.834 -2.311
101 HE2 LYS 12 2HE LYS 12 -9.447 -2.861 -4.414
102 HE3 LYS 12 1HE LYS 12 -10.433 -4.174 -3.793
103 HZ1 LYS 12 1HZ LYS 12 -10.981 -2.128 -2.725
104 HZ2 LYS 12 2HZ LYS 12 -9.418 -1.834 -2.247
105 HZ3 LYS 12 3HZ LYS 12 -10.292 -3.145 -1.579
106 H TYR 13 H TYR 13 -3.443 -4.564 -0.840
107 HA TYR 13 HA TYR 13 -2.608 -6.998 -2.072
108 HB2 TYR 13 2HB TYR 13 -1.016 -4.896 -0.625
109 HB3 TYR 13 1HB TYR 13 -0.304 -6.332 -1.346
110 HD1 TYR 13 1HD TYR 13 -1.570 -3.041 -1.896
111 HD2 TYR 13 2HD TYR 13 -0.388 -6.605 -3.850
112 HE1 TYR 13 1HE TYR 13 -1.364 -1.800 -4.003
113 HE2 TYR 13 2HE TYR 13 -0.182 -5.398 -5.964
114 HH TYR 13 HH TYR 13 -0.988 -3.375 -7.009
115 H THR 14 H THR 14 -2.394 -8.841 -1.220
116 HA THR 14 HA THR 14 -2.212 -9.078 1.674
117 HB THR 14 HB THR 14 -3.955 -10.429 0.435
118 HG1 THR 14 1HG THR 14 -1.955 -12.064 1.578
119 HG21 THR 14 1HG2 THR 14 -1.529 -11.815 -0.704
120 HG22 THR 14 2HG2 THR 14 -2.732 -10.892 -1.609
121 HG23 THR 14 3HG2 THR 14 -3.181 -12.409 -0.831
122 H ASP 15 H ASP 15 -0.430 -8.982 -1.124
123 HA ASP 15 HA ASP 15 1.759 -10.687 -0.424
124 HB2 ASP 15 2HB ASP 15 1.199 -10.118 -2.764
125 HB3 ASP 15 1HB ASP 15 1.544 -8.428 -2.424
126 HA PRO 16 HA PRO 16 3.150 -7.741 2.673
127 HB2 PRO 16 2HB PRO 16 5.650 -9.317 2.514
128 HB3 PRO 16 1HB PRO 16 4.648 -8.933 3.915
129 HG2 PRO 16 2HG PRO 16 4.634 -11.388 2.878
130 HG3 PRO 16 1HG PRO 16 3.144 -10.643 3.482
131 HD2 PRO 16 2HD PRO 16 4.080 -10.987 0.662
132 HD3 PRO 16 1HD PRO 16 2.452 -11.162 1.359
133 H LYS 17 H LYS 17 5.250 -8.640 -0.021
134 HA LYS 17 HA LYS 17 6.959 -6.411 0.379
135 HB2 LYS 17 2HB LYS 17 7.843 -8.423 -0.587
136 HB3 LYS 17 1HB LYS 17 6.696 -8.341 -1.911
137 HG2 LYS 17 2HG LYS 17 7.771 -6.349 -2.756
138 HG3 LYS 17 1HG LYS 17 8.877 -6.339 -1.382
139 HD2 LYS 17 2HD LYS 17 9.817 -8.456 -2.086
140 HD3 LYS 17 1HD LYS 17 8.660 -8.555 -3.413
141 HE2 LYS 17 2HE LYS 17 9.590 -6.578 -4.422
142 HE3 LYS 17 1HE LYS 17 10.689 -6.365 -3.059
143 HZ1 LYS 17 1HZ LYS 17 11.758 -7.371 -4.976
144 HZ2 LYS 17 2HZ LYS 17 10.695 -8.676 -4.916
145 HZ3 LYS 17 3HZ LYS 17 11.781 -8.403 -3.651
146 H LYS 18 H LYS 18 4.385 -7.123 -1.971
147 HA LYS 18 HA LYS 18 4.620 -4.690 -3.419
148 HB2 LYS 18 2HB LYS 18 2.186 -6.415 -2.985
149 HB3 LYS 18 1HB LYS 18 2.278 -5.097 -4.136
150 HG2 LYS 18 2HG LYS 18 3.967 -6.280 -5.401
151 HG3 LYS 18 1HG LYS 18 3.978 -7.566 -4.182
152 HD2 LYS 18 2HD LYS 18 1.634 -8.034 -4.645
153 HD3 LYS 18 1HD LYS 18 1.618 -6.765 -5.868
154 HE2 LYS 18 2HE LYS 18 1.835 -9.004 -6.841
155 HE3 LYS 18 1HE LYS 18 3.226 -7.986 -7.192
156 HZ1 LYS 18 1HZ LYS 18 3.758 -10.311 -6.529
157 HZ2 LYS 18 2HZ LYS 18 3.245 -9.983 -4.959
158 HZ3 LYS 18 3HZ LYS 18 4.525 -9.134 -5.640
159 H ARG 19 H ARG 19 2.702 -5.612 -0.627
160 HA ARG 19 HA ARG 19 1.267 -3.211 -0.366
161 HB2 ARG 19 2HB ARG 19 0.575 -5.284 0.757
162 HB3 ARG 19 1HB ARG 19 2.032 -5.257 1.730
163 HG2 ARG 19 2HG ARG 19 1.293 -3.297 2.899
164 HG3 ARG 19 1HG ARG 19 -0.097 -3.135 1.827
165 HD2 ARG 19 2HD ARG 19 -0.683 -4.128 4.016
166 HD3 ARG 19 1HD ARG 19 -1.042 -5.193 2.662
167 HE ARG 19 HE ARG 19 1.004 -6.401 3.224
168 HH11 ARG 19 1HH1 ARG 19 -0.604 -4.542 5.799
169 HH12 ARG 19 2HH1 ARG 19 0.161 -5.370 7.060
170 HH21 ARG 19 1HH2 ARG 19 1.937 -7.612 4.969
171 HH22 ARG 19 2HH2 ARG 19 1.634 -7.168 6.585
172 H GLU 20 H GLU 20 4.326 -4.324 1.041
173 HA GLU 20 HA GLU 20 4.816 -2.067 2.632
174 HB2 GLU 20 2HB GLU 20 6.018 -4.159 2.972
175 HB3 GLU 20 1HB GLU 20 6.759 -4.015 1.388
176 HG2 GLU 20 2HG GLU 20 7.963 -2.052 2.092
177 HG3 GLU 20 1HG GLU 20 7.168 -2.097 3.664
178 H GLU 21 H GLU 21 6.015 -2.884 -0.617
179 HA GLU 21 HA GLU 21 7.406 -0.483 -0.913
180 HB2 GLU 21 2HB GLU 21 6.405 -2.449 -2.910
181 HB3 GLU 21 1HB GLU 21 7.206 -0.957 -3.392
182 HG2 GLU 21 2HG GLU 21 8.342 -3.145 -1.648
183 HG3 GLU 21 1HG GLU 21 8.805 -2.787 -3.312
184 H CYS 22 H CYS 22 4.044 -1.219 -1.538
185 HA CYS 22 HA CYS 22 3.697 1.213 -2.882
186 HB2 CYS 22 2HB CYS 22 1.968 -0.494 -3.161
187 HB3 CYS 22 1HB CYS 22 1.598 -0.437 -1.437
188 H LYS 23 H LYS 23 3.375 0.191 0.460
189 HA LYS 23 HA LYS 23 2.278 2.513 1.588
190 HB2 LYS 23 2HB LYS 23 2.323 0.298 2.619
191 HB3 LYS 23 1HB LYS 23 4.064 0.378 2.740
192 HG2 LYS 23 2HG LYS 23 3.883 2.164 4.375
193 HG3 LYS 23 1HG LYS 23 2.118 2.141 4.215
194 HD2 LYS 23 2HD LYS 23 2.079 -0.197 4.923
195 HD3 LYS 23 1HD LYS 23 3.832 -0.182 5.078
196 HE2 LYS 23 2HE LYS 23 3.688 1.447 6.855
197 HE3 LYS 23 1HE LYS 23 1.937 1.549 6.659
198 HZ1 LYS 23 1HZ LYS 23 1.814 -0.808 7.250
199 HZ2 LYS 23 2HZ LYS 23 2.470 0.088 8.489
200 HZ3 LYS 23 3HZ LYS 23 3.469 -0.853 7.525
201 H ARG 24 H ARG 24 5.545 1.633 0.788
202 HA ARG 24 HA ARG 24 6.765 3.831 2.204
203 HB2 ARG 24 2HB ARG 24 7.918 1.917 0.178
204 HB3 ARG 24 1HB ARG 24 8.854 3.048 1.143
205 HG2 ARG 24 2HG ARG 24 8.219 1.913 3.171
206 HG3 ARG 24 1HG ARG 24 7.138 0.852 2.271
207 HD2 ARG 24 2HD ARG 24 9.110 -0.376 2.718
208 HD3 ARG 24 1HD ARG 24 9.142 0.041 1.008
209 HE ARG 24 HE ARG 24 10.523 1.921 2.638
210 HH11 ARG 24 1HH1 ARG 24 10.848 -1.043 0.713
211 HH12 ARG 24 2HH1 ARG 24 12.541 -1.183 0.952
212 HH21 ARG 24 1HH2 ARG 24 12.865 1.758 2.888
213 HH22 ARG 24 2HH2 ARG 24 13.704 0.452 2.184
214 H LYS 25 H LYS 25 5.174 3.526 -0.738
215 HA LYS 25 HA LYS 25 6.619 5.790 -1.928
216 HB2 LYS 25 2HB LYS 25 6.567 3.811 -3.334
217 HB3 LYS 25 1HB LYS 25 4.822 3.707 -3.170
218 HG2 LYS 25 2HG LYS 25 4.603 5.840 -4.371
219 HG3 LYS 25 1HG LYS 25 6.356 5.887 -4.571
220 HD2 LYS 25 2HD LYS 25 6.280 3.799 -5.826
221 HD3 LYS 25 1HD LYS 25 4.533 3.714 -5.581
222 HE2 LYS 25 2HE LYS 25 4.251 5.785 -6.822
223 HE3 LYS 25 1HE LYS 25 5.994 5.894 -7.040
224 HZ1 LYS 25 1HZ LYS 25 5.933 3.847 -8.324
225 HZ2 LYS 25 2HZ LYS 25 4.895 4.996 -8.989
226 HZ3 LYS 25 3HZ LYS 25 4.263 3.724 -8.096
227 H ALA 26 H ALA 26 3.389 4.452 -1.486
228 HA ALA 26 HA ALA 26 2.150 6.983 -2.032
229 HB1 ALA 26 1HB ALA 26 0.985 4.287 -1.345
230 HB2 ALA 26 2HB ALA 26 1.155 4.966 -2.966
231 HB3 ALA 26 3HB ALA 26 0.066 5.720 -1.799
Start of MODEL 10
1 H HIS 1 H HIS 1 1.593 8.084 -1.083
2 HA HIS 1 HA HIS 1 2.797 8.910 1.442
3 HB2 HIS 1 2HB HIS 1 2.251 10.403 -1.137
4 HB3 HIS 1 1HB HIS 1 2.932 11.162 0.296
5 HD1 HIS 1 1HD HIS 1 3.815 8.580 -2.369
6 HD2 HIS 1 2HD HIS 1 5.621 10.814 0.634
7 HE1 HIS 1 1HE HIS 1 6.290 8.316 -2.702
8 H ASP 2 H ASP 2 -0.145 8.509 0.030
9 HA ASP 2 HA ASP 2 -1.461 10.423 1.838
10 HB2 ASP 2 2HB ASP 2 -2.543 9.107 -0.669
11 HB3 ASP 2 1HB ASP 2 -3.508 10.065 0.441
12 HA PRO 3 HA PRO 3 -2.865 7.013 4.297
13 HB2 PRO 3 2HB PRO 3 -5.339 8.066 5.016
14 HB3 PRO 3 1HB PRO 3 -3.816 8.399 5.844
15 HG2 PRO 3 2HG PRO 3 -5.245 10.028 3.784
16 HG3 PRO 3 1HG PRO 3 -4.387 10.567 5.237
17 HD2 PRO 3 2HD PRO 3 -3.285 10.787 2.821
18 HD3 PRO 3 1HD PRO 3 -2.300 10.345 4.232
19 H GLU 4 H GLU 4 -5.007 8.459 1.916
20 HA GLU 4 HA GLU 4 -6.788 6.268 1.704
21 HB2 GLU 4 2HB GLU 4 -7.453 7.313 -0.466
22 HB3 GLU 4 1HB GLU 4 -7.546 8.380 0.926
23 HG2 GLU 4 2HG GLU 4 -5.582 9.534 0.283
24 HG3 GLU 4 1HG GLU 4 -5.207 8.340 -0.959
25 H LYS 5 H LYS 5 -3.794 7.110 0.029
26 HA LYS 5 HA LYS 5 -3.899 5.111 -1.964
27 HB2 LYS 5 2HB LYS 5 -2.390 7.235 -1.725
28 HB3 LYS 5 1HB LYS 5 -1.391 6.216 -0.717
29 HG2 LYS 5 2HG LYS 5 -0.420 6.137 -2.867
30 HG3 LYS 5 1HG LYS 5 -1.265 4.599 -2.664
31 HD2 LYS 5 2HD LYS 5 -1.726 5.422 -4.854
32 HD3 LYS 5 1HD LYS 5 -3.198 5.605 -3.908
33 HE2 LYS 5 2HE LYS 5 -2.569 7.991 -3.492
34 HE3 LYS 5 1HE LYS 5 -1.189 7.768 -4.560
35 HZ1 LYS 5 1HZ LYS 5 -4.033 7.482 -5.313
36 HZ2 LYS 5 2HZ LYS 5 -2.723 7.322 -6.372
37 HZ3 LYS 5 3HZ LYS 5 -3.065 8.809 -5.650
38 H ARG 6 H ARG 6 -2.509 5.428 1.222
39 HA ARG 6 HA ARG 6 -1.202 2.993 1.566
40 HB2 ARG 6 2HB ARG 6 -0.990 4.912 3.057
41 HB3 ARG 6 1HB ARG 6 -2.662 4.737 3.547
42 HG2 ARG 6 2HG ARG 6 -2.100 2.560 4.552
43 HG3 ARG 6 1HG ARG 6 -0.405 2.835 4.127
44 HD2 ARG 6 2HD ARG 6 -0.418 4.900 5.445
45 HD3 ARG 6 1HD ARG 6 -2.098 4.609 5.878
46 HE ARG 6 HE ARG 6 -0.697 2.364 6.604
47 HH11 ARG 6 1HH1 ARG 6 -0.754 5.799 7.494
48 HH12 ARG 6 2HH1 ARG 6 -0.157 5.544 9.063
49 HH21 ARG 6 1HH2 ARG 6 0.085 2.027 8.806
50 HH22 ARG 6 2HH2 ARG 6 0.329 3.380 9.830
51 H LYS 7 H LYS 7 -4.525 3.929 2.246
52 HA LYS 7 HA LYS 7 -5.521 1.522 3.295
53 HB2 LYS 7 2HB LYS 7 -6.579 3.821 3.330
54 HB3 LYS 7 1HB LYS 7 -6.964 3.559 1.635
55 HG2 LYS 7 2HG LYS 7 -8.911 3.137 2.944
56 HG3 LYS 7 1HG LYS 7 -8.327 1.631 2.259
57 HD2 LYS 7 2HD LYS 7 -7.396 0.910 4.317
58 HD3 LYS 7 1HD LYS 7 -7.602 2.501 5.047
59 HE2 LYS 7 2HE LYS 7 -9.272 0.872 5.833
60 HE3 LYS 7 1HE LYS 7 -10.001 2.248 5.012
61 HZ1 LYS 7 1HZ LYS 7 -10.972 0.119 4.422
62 HZ2 LYS 7 2HZ LYS 7 -9.514 -0.403 3.759
63 HZ3 LYS 7 3HZ LYS 7 -10.358 0.909 3.079
64 H GLU 8 H GLU 8 -5.345 2.812 0.026
65 HA GLU 8 HA GLU 8 -6.825 0.847 -1.252
66 HB2 GLU 8 2HB GLU 8 -5.697 3.198 -1.994
67 HB3 GLU 8 1HB GLU 8 -4.553 2.095 -2.728
68 HG2 GLU 8 2HG GLU 8 -7.518 2.166 -3.265
69 HG3 GLU 8 1HG GLU 8 -6.280 2.869 -4.289
70 H CYS 9 H CYS 9 -3.372 1.216 -0.587
71 HA CYS 9 HA CYS 9 -2.353 -1.129 -1.786
72 HB2 CYS 9 2HB CYS 9 -1.319 0.349 0.640
73 HB3 CYS 9 1HB CYS 9 -0.417 -0.842 -0.282
74 H GLU 10 H GLU 10 -3.607 -0.471 1.427
75 HA GLU 10 HA GLU 10 -2.939 -2.868 2.733
76 HB2 GLU 10 2HB GLU 10 -3.747 -0.635 3.698
77 HB3 GLU 10 1HB GLU 10 -5.363 -1.150 3.262
78 HG2 GLU 10 2HG GLU 10 -4.988 -1.576 5.586
79 HG3 GLU 10 1HG GLU 10 -5.089 -3.114 4.728
80 H LYS 11 H LYS 11 -5.670 -1.839 0.842
81 HA LYS 11 HA LYS 11 -7.218 -4.207 1.166
82 HB2 LYS 11 2HB LYS 11 -8.259 -2.102 0.644
83 HB3 LYS 11 1HB LYS 11 -7.328 -1.952 -0.832
84 HG2 LYS 11 2HG LYS 11 -8.511 -3.869 -1.785
85 HG3 LYS 11 1HG LYS 11 -9.436 -4.040 -0.294
86 HD2 LYS 11 2HD LYS 11 -9.433 -1.563 -2.017
87 HD3 LYS 11 1HD LYS 11 -10.652 -2.831 -2.116
88 HE2 LYS 11 2HE LYS 11 -11.258 -2.431 0.222
89 HE3 LYS 11 1HE LYS 11 -10.017 -1.191 0.342
90 HZ1 LYS 11 1HZ LYS 11 -12.369 -1.052 -1.479
91 HZ2 LYS 11 2HZ LYS 11 -11.215 0.169 -1.208
92 HZ3 LYS 11 3HZ LYS 11 -12.226 -0.307 0.019
93 H LYS 12 H LYS 12 -5.333 -2.914 -1.555
94 HA LYS 12 HA LYS 12 -5.780 -5.014 -3.338
95 HB2 LYS 12 2HB LYS 12 -3.712 -2.880 -3.206
96 HB3 LYS 12 1HB LYS 12 -3.648 -4.112 -4.448
97 HG2 LYS 12 2HG LYS 12 -5.963 -2.258 -3.961
98 HG3 LYS 12 1HG LYS 12 -4.718 -2.035 -5.190
99 HD2 LYS 12 2HD LYS 12 -5.357 -4.276 -6.114
100 HD3 LYS 12 1HD LYS 12 -6.724 -4.274 -4.999
101 HE2 LYS 12 2HE LYS 12 -6.170 -2.200 -7.097
102 HE3 LYS 12 1HE LYS 12 -7.344 -3.503 -7.242
103 HZ1 LYS 12 1HZ LYS 12 -7.427 -1.343 -5.192
104 HZ2 LYS 12 2HZ LYS 12 -8.600 -2.545 -5.436
105 HZ3 LYS 12 3HZ LYS 12 -8.301 -1.383 -6.625
106 H TYR 13 H TYR 13 -3.001 -4.555 -1.174
107 HA TYR 13 HA TYR 13 -1.950 -7.026 -2.334
108 HB2 TYR 13 2HB TYR 13 -0.472 -4.862 -0.844
109 HB3 TYR 13 1HB TYR 13 0.248 -6.301 -1.560
110 HD1 TYR 13 1HD TYR 13 0.205 -6.578 -4.057
111 HD2 TYR 13 2HD TYR 13 -0.956 -2.957 -2.163
112 HE1 TYR 13 1HE TYR 13 0.426 -5.406 -6.182
113 HE2 TYR 13 2HE TYR 13 -0.731 -1.770 -4.279
114 HH TYR 13 HH TYR 13 0.524 -2.065 -6.429
115 H THR 14 H THR 14 -2.266 -8.775 -1.211
116 HA THR 14 HA THR 14 -2.579 -8.666 1.643
117 HB THR 14 HB THR 14 -2.876 -11.183 1.335
118 HG1 THR 14 1HG THR 14 -2.079 -11.842 -0.505
119 HG21 THR 14 1HG2 THR 14 -4.664 -9.382 -0.314
120 HG22 THR 14 2HG2 THR 14 -4.833 -9.703 1.413
121 HG23 THR 14 3HG2 THR 14 -5.085 -10.997 0.249
122 H ASP 15 H ASP 15 -0.150 -9.083 -0.664
123 HA ASP 15 HA ASP 15 1.621 -10.678 0.932
124 HB2 ASP 15 2HB ASP 15 1.719 -10.871 -1.492
125 HB3 ASP 15 1HB ASP 15 2.123 -9.162 -1.637
126 HA PRO 16 HA PRO 16 3.206 -7.353 3.422
127 HB2 PRO 16 2HB PRO 16 5.641 -9.041 3.531
128 HB3 PRO 16 1HB PRO 16 4.676 -8.354 4.845
129 HG2 PRO 16 2HG PRO 16 4.522 -10.941 4.275
130 HG3 PRO 16 1HG PRO 16 3.072 -10.017 4.714
131 HD2 PRO 16 2HD PRO 16 3.991 -10.928 2.019
132 HD3 PRO 16 1HD PRO 16 2.359 -10.874 2.723
133 H LYS 17 H LYS 17 5.266 -8.685 0.780
134 HA LYS 17 HA LYS 17 7.068 -6.441 0.969
135 HB2 LYS 17 2HB LYS 17 6.832 -8.578 -1.152
136 HB3 LYS 17 1HB LYS 17 8.006 -7.286 -1.206
137 HG2 LYS 17 2HG LYS 17 9.180 -9.146 -0.431
138 HG3 LYS 17 1HG LYS 17 8.863 -8.187 1.009
139 HD2 LYS 17 2HD LYS 17 7.087 -9.668 1.664
140 HD3 LYS 17 1HD LYS 17 7.207 -10.556 0.141
141 HE2 LYS 17 2HE LYS 17 9.549 -11.143 0.739
142 HE3 LYS 17 1HE LYS 17 9.304 -10.375 2.302
143 HZ1 LYS 17 1HZ LYS 17 7.566 -11.983 2.777
144 HZ2 LYS 17 2HZ LYS 17 9.003 -12.782 2.370
145 HZ3 LYS 17 3HZ LYS 17 7.760 -12.672 1.255
146 H LYS 18 H LYS 18 4.504 -7.519 -1.120
147 HA LYS 18 HA LYS 18 4.642 -5.315 -2.877
148 HB2 LYS 18 2HB LYS 18 2.363 -7.172 -2.228
149 HB3 LYS 18 1HB LYS 18 2.281 -5.939 -3.476
150 HG2 LYS 18 2HG LYS 18 4.286 -8.186 -3.418
151 HG3 LYS 18 1HG LYS 18 2.792 -8.172 -4.365
152 HD2 LYS 18 2HD LYS 18 3.537 -6.243 -5.596
153 HD3 LYS 18 1HD LYS 18 5.000 -6.118 -4.623
154 HE2 LYS 18 2HE LYS 18 5.525 -7.152 -6.739
155 HE3 LYS 18 1HE LYS 18 5.701 -8.322 -5.439
156 HZ1 LYS 18 1HZ LYS 18 3.421 -8.105 -7.317
157 HZ2 LYS 18 2HZ LYS 18 3.500 -9.191 -6.027
158 HZ3 LYS 18 3HZ LYS 18 4.601 -9.306 -7.302
159 H ARG 19 H ARG 19 2.877 -5.816 0.100
160 HA ARG 19 HA ARG 19 1.507 -3.341 0.003
161 HB2 ARG 19 2HB ARG 19 0.842 -5.227 1.474
162 HB3 ARG 19 1HB ARG 19 2.292 -4.963 2.431
163 HG2 ARG 19 2HG ARG 19 1.494 -2.772 3.087
164 HG3 ARG 19 1HG ARG 19 0.063 -2.969 2.071
165 HD2 ARG 19 2HD ARG 19 0.813 -4.675 4.443
166 HD3 ARG 19 1HD ARG 19 -0.455 -3.448 4.403
167 HE ARG 19 HE ARG 19 -1.116 -5.123 2.375
168 HH11 ARG 19 1HH1 ARG 19 -0.494 -5.657 5.804
169 HH12 ARG 19 2HH1 ARG 19 -1.563 -6.975 5.920
170 HH21 ARG 19 1HH2 ARG 19 -2.554 -6.898 2.546
171 HH22 ARG 19 2HH2 ARG 19 -2.758 -7.708 4.038
172 H GLU 20 H GLU 20 4.634 -4.351 1.255
173 HA GLU 20 HA GLU 20 5.448 -2.027 2.599
174 HB2 GLU 20 2HB GLU 20 6.586 -4.268 2.639
175 HB3 GLU 20 1HB GLU 20 7.127 -3.974 1.004
176 HG2 GLU 20 2HG GLU 20 8.896 -3.581 2.615
177 HG3 GLU 20 1HG GLU 20 8.469 -2.100 1.760
178 H GLU 21 H GLU 21 6.101 -3.113 -0.701
179 HA GLU 21 HA GLU 21 7.371 -0.818 -1.646
180 HB2 GLU 21 2HB GLU 21 5.842 -2.984 -3.032
181 HB3 GLU 21 1HB GLU 21 6.627 -1.679 -3.904
182 HG2 GLU 21 2HG GLU 21 7.997 -3.622 -2.048
183 HG3 GLU 21 1HG GLU 21 7.985 -3.732 -3.809
184 H CYS 22 H CYS 22 3.964 -1.677 -1.584
185 HA CYS 22 HA CYS 22 3.224 0.529 -3.165
186 HB2 CYS 22 2HB CYS 22 1.836 -1.558 -2.826
187 HB3 CYS 22 1HB CYS 22 1.429 -0.940 -1.231
188 H LYS 23 H LYS 23 3.363 -0.061 0.340
189 HA LYS 23 HA LYS 23 2.296 2.296 1.365
190 HB2 LYS 23 2HB LYS 23 2.917 0.377 2.731
191 HB3 LYS 23 1HB LYS 23 4.606 0.631 2.324
192 HG2 LYS 23 2HG LYS 23 4.430 2.873 3.482
193 HG3 LYS 23 1HG LYS 23 2.846 2.357 4.061
194 HD2 LYS 23 2HD LYS 23 4.567 1.944 5.753
195 HD3 LYS 23 1HD LYS 23 3.897 0.419 5.165
196 HE2 LYS 23 2HE LYS 23 5.825 0.116 3.700
197 HE3 LYS 23 1HE LYS 23 6.470 1.676 4.209
198 HZ1 LYS 23 1HZ LYS 23 7.446 -0.286 5.198
199 HZ2 LYS 23 2HZ LYS 23 6.012 -0.620 6.022
200 HZ3 LYS 23 3HZ LYS 23 6.882 0.808 6.349
201 H ARG 24 H ARG 24 5.438 1.603 0.042
202 HA ARG 24 HA ARG 24 6.709 4.006 0.809
203 HB2 ARG 24 2HB ARG 24 7.365 1.947 -1.280
204 HB3 ARG 24 1HB ARG 24 8.396 3.341 -0.946
205 HG2 ARG 24 2HG ARG 24 8.719 2.662 1.290
206 HG3 ARG 24 1HG ARG 24 7.539 1.363 1.141
207 HD2 ARG 24 2HD ARG 24 8.994 0.176 -0.365
208 HD3 ARG 24 1HD ARG 24 10.128 1.528 -0.403
209 HE ARG 24 HE ARG 24 10.021 1.024 2.186
210 HH11 ARG 24 1HH1 ARG 24 10.303 -1.368 -0.460
211 HH12 ARG 24 2HH1 ARG 24 11.367 -2.346 0.426
212 HH21 ARG 24 1HH2 ARG 24 11.480 -0.377 3.337
213 HH22 ARG 24 2HH2 ARG 24 12.049 -1.805 2.595
214 H LYS 25 H LYS 25 4.592 3.248 -1.774
215 HA LYS 25 HA LYS 25 5.212 5.754 -3.134
216 HB2 LYS 25 2HB LYS 25 4.879 3.712 -4.509
217 HB3 LYS 25 1HB LYS 25 3.270 3.533 -3.839
218 HG2 LYS 25 2HG LYS 25 3.207 4.456 -6.086
219 HG3 LYS 25 1HG LYS 25 2.568 5.602 -4.906
220 HD2 LYS 25 2HD LYS 25 4.722 6.795 -4.919
221 HD3 LYS 25 1HD LYS 25 5.344 5.650 -6.112
222 HE2 LYS 25 2HE LYS 25 2.988 7.493 -6.485
223 HE3 LYS 25 1HE LYS 25 4.600 7.743 -7.149
224 HZ1 LYS 25 1HZ LYS 25 3.053 6.785 -8.752
225 HZ2 LYS 25 2HZ LYS 25 2.861 5.422 -7.775
226 HZ3 LYS 25 3HZ LYS 25 4.357 5.765 -8.460
227 H ALA 26 H ALA 26 3.035 4.287 -0.965
228 HA ALA 26 HA ALA 26 0.850 6.062 -1.286
229 HB1 ALA 26 1HB ALA 26 1.487 4.204 0.988
230 HB2 ALA 26 2HB ALA 26 0.578 3.767 -0.460
231 HB3 ALA 26 3HB ALA 26 -0.069 4.965 0.664
Start of MODEL 11
1 H HIS 1 H HIS 1 2.091 7.958 -0.600
2 HA HIS 1 HA HIS 1 2.849 7.447 2.159
3 HB2 HIS 1 2HB HIS 1 3.024 9.951 0.464
4 HB3 HIS 1 1HB HIS 1 3.509 9.875 2.151
5 HD1 HIS 1 1HD HIS 1 4.760 9.252 -1.262
6 HD2 HIS 1 2HD HIS 1 5.772 8.163 2.621
7 HE1 HIS 1 1HE HIS 1 7.130 8.409 -1.368
8 H ASP 2 H ASP 2 0.198 8.429 0.392
9 HA ASP 2 HA ASP 2 -0.972 9.991 2.545
10 HB2 ASP 2 2HB ASP 2 -2.041 9.290 -0.195
11 HB3 ASP 2 1HB ASP 2 -2.911 10.245 0.996
12 HA PRO 3 HA PRO 3 -2.896 6.722 4.652
13 HB2 PRO 3 2HB PRO 3 -5.361 7.921 5.170
14 HB3 PRO 3 1HB PRO 3 -3.914 8.049 6.174
15 HG2 PRO 3 2HG PRO 3 -4.976 9.929 4.116
16 HG3 PRO 3 1HG PRO 3 -4.177 10.288 5.656
17 HD2 PRO 3 2HD PRO 3 -2.880 10.536 3.348
18 HD3 PRO 3 1HD PRO 3 -2.053 9.891 4.784
19 H GLU 4 H GLU 4 -5.184 8.292 2.370
20 HA GLU 4 HA GLU 4 -6.885 6.036 2.201
21 HB2 GLU 4 2HB GLU 4 -7.611 8.316 1.588
22 HB3 GLU 4 1HB GLU 4 -6.498 8.280 0.226
23 HG2 GLU 4 2HG GLU 4 -7.756 6.413 -0.736
24 HG3 GLU 4 1HG GLU 4 -8.901 6.514 0.594
25 H LYS 5 H LYS 5 -4.199 7.167 0.241
26 HA LYS 5 HA LYS 5 -4.464 5.234 -1.819
27 HB2 LYS 5 2HB LYS 5 -1.935 6.661 -0.973
28 HB3 LYS 5 1HB LYS 5 -2.222 5.887 -2.520
29 HG2 LYS 5 2HG LYS 5 -3.515 8.395 -1.455
30 HG3 LYS 5 1HG LYS 5 -2.381 8.261 -2.797
31 HD2 LYS 5 2HD LYS 5 -5.191 7.180 -2.678
32 HD3 LYS 5 1HD LYS 5 -4.660 8.585 -3.595
33 HE2 LYS 5 2HE LYS 5 -3.209 7.102 -4.957
34 HE3 LYS 5 1HE LYS 5 -3.805 5.723 -4.043
35 HZ1 LYS 5 1HZ LYS 5 -5.476 7.518 -5.705
36 HZ2 LYS 5 2HZ LYS 5 -6.044 6.207 -4.831
37 HZ3 LYS 5 3HZ LYS 5 -4.995 5.961 -6.131
38 H ARG 6 H ARG 6 -2.721 5.386 1.176
39 HA ARG 6 HA ARG 6 -1.248 3.011 0.844
40 HB2 ARG 6 2HB ARG 6 -0.630 4.805 2.402
41 HB3 ARG 6 1HB ARG 6 -2.053 4.451 3.366
42 HG2 ARG 6 2HG ARG 6 -1.179 2.295 3.951
43 HG3 ARG 6 1HG ARG 6 0.201 2.527 2.870
44 HD2 ARG 6 2HD ARG 6 -0.454 4.245 5.254
45 HD3 ARG 6 1HD ARG 6 0.767 2.971 5.215
46 HE ARG 6 HE ARG 6 1.354 4.683 3.132
47 HH11 ARG 6 1HH1 ARG 6 1.116 4.968 6.661
48 HH12 ARG 6 2HH1 ARG 6 2.365 6.107 6.793
49 HH21 ARG 6 1HH2 ARG 6 3.129 6.201 3.336
50 HH22 ARG 6 2HH2 ARG 6 3.537 6.822 4.866
51 H LYS 7 H LYS 7 -4.404 3.720 2.314
52 HA LYS 7 HA LYS 7 -4.946 1.137 3.300
53 HB2 LYS 7 2HB LYS 7 -6.368 3.143 3.812
54 HB3 LYS 7 1HB LYS 7 -6.914 3.091 2.131
55 HG2 LYS 7 2HG LYS 7 -7.877 0.915 2.453
56 HG3 LYS 7 1HG LYS 7 -7.330 0.875 4.120
57 HD2 LYS 7 2HD LYS 7 -8.749 2.908 4.531
58 HD3 LYS 7 1HD LYS 7 -9.333 2.735 2.874
59 HE2 LYS 7 2HE LYS 7 -10.909 1.752 4.424
60 HE3 LYS 7 1HE LYS 7 -10.191 0.520 3.390
61 HZ1 LYS 7 1HZ LYS 7 -10.333 -0.172 5.715
62 HZ2 LYS 7 2HZ LYS 7 -9.347 1.104 6.182
63 HZ3 LYS 7 3HZ LYS 7 -8.728 -0.120 5.219
64 H GLU 8 H GLU 8 -5.596 2.697 0.243
65 HA GLU 8 HA GLU 8 -6.957 0.762 -1.086
66 HB2 GLU 8 2HB GLU 8 -6.547 3.083 -1.857
67 HB3 GLU 8 1HB GLU 8 -4.875 2.683 -2.167
68 HG2 GLU 8 2HG GLU 8 -5.993 2.776 -4.246
69 HG3 GLU 8 1HG GLU 8 -5.669 1.080 -3.901
70 H CYS 9 H CYS 9 -3.429 1.274 -0.866
71 HA CYS 9 HA CYS 9 -2.528 -0.937 -2.356
72 HB2 CYS 9 2HB CYS 9 -1.208 0.428 -0.013
73 HB3 CYS 9 1HB CYS 9 -0.425 -0.728 -1.075
74 H GLU 10 H GLU 10 -3.127 -0.614 1.116
75 HA GLU 10 HA GLU 10 -2.249 -3.165 1.911
76 HB2 GLU 10 2HB GLU 10 -2.481 -1.268 3.429
77 HB3 GLU 10 1HB GLU 10 -4.212 -1.243 3.172
78 HG2 GLU 10 2HG GLU 10 -4.470 -3.311 4.353
79 HG3 GLU 10 1HG GLU 10 -2.721 -3.518 4.460
80 H LYS 11 H LYS 11 -5.238 -2.042 0.641
81 HA LYS 11 HA LYS 11 -6.821 -4.351 1.262
82 HB2 LYS 11 2HB LYS 11 -7.761 -2.102 0.889
83 HB3 LYS 11 1HB LYS 11 -7.157 -2.163 -0.755
84 HG2 LYS 11 2HG LYS 11 -8.673 -4.089 -1.178
85 HG3 LYS 11 1HG LYS 11 -9.337 -3.864 0.444
86 HD2 LYS 11 2HD LYS 11 -10.760 -2.769 -1.195
87 HD3 LYS 11 1HD LYS 11 -9.978 -1.562 -0.172
88 HE2 LYS 11 2HE LYS 11 -8.277 -1.194 -1.924
89 HE3 LYS 11 1HE LYS 11 -9.089 -2.394 -2.926
90 HZ1 LYS 11 1HZ LYS 11 -10.282 0.125 -1.968
91 HZ2 LYS 11 2HZ LYS 11 -10.959 -0.924 -3.118
92 HZ3 LYS 11 3HZ LYS 11 -9.509 -0.085 -3.431
93 H LYS 12 H LYS 12 -5.165 -3.080 -1.593
94 HA LYS 12 HA LYS 12 -5.950 -5.102 -3.410
95 HB2 LYS 12 2HB LYS 12 -5.206 -2.835 -4.066
96 HB3 LYS 12 1HB LYS 12 -3.584 -3.233 -3.543
97 HG2 LYS 12 2HG LYS 12 -3.398 -4.929 -5.277
98 HG3 LYS 12 1HG LYS 12 -5.059 -4.619 -5.787
99 HD2 LYS 12 2HD LYS 12 -4.422 -2.284 -6.327
100 HD3 LYS 12 1HD LYS 12 -2.763 -2.659 -5.875
101 HE2 LYS 12 2HE LYS 12 -4.303 -4.022 -8.083
102 HE3 LYS 12 1HE LYS 12 -3.179 -2.690 -8.328
103 HZ1 LYS 12 1HZ LYS 12 -1.404 -4.109 -7.427
104 HZ2 LYS 12 2HZ LYS 12 -2.103 -4.740 -8.792
105 HZ3 LYS 12 3HZ LYS 12 -2.498 -5.408 -7.302
106 H TYR 13 H TYR 13 -2.923 -4.561 -1.654
107 HA TYR 13 HA TYR 13 -1.909 -7.094 -2.661
108 HB2 TYR 13 2HB TYR 13 -0.529 -4.860 -1.179
109 HB3 TYR 13 1HB TYR 13 0.249 -6.319 -1.783
110 HD1 TYR 13 1HD TYR 13 -0.896 -3.004 -2.594
111 HD2 TYR 13 2HD TYR 13 0.304 -6.720 -4.266
112 HE1 TYR 13 1HE TYR 13 -0.545 -1.909 -4.765
113 HE2 TYR 13 2HE TYR 13 0.669 -5.639 -6.428
114 HH TYR 13 HH TYR 13 0.755 -2.304 -6.841
115 H THR 14 H THR 14 -2.272 -8.820 -1.451
116 HA THR 14 HA THR 14 -2.785 -8.537 1.364
117 HB THR 14 HB THR 14 -2.541 -11.093 -0.264
118 HG1 THR 14 1HG THR 14 -5.030 -10.657 0.027
119 HG21 THR 14 1HG2 THR 14 -4.070 -10.467 2.278
120 HG22 THR 14 2HG2 THR 14 -2.557 -11.363 2.201
121 HG23 THR 14 3HG2 THR 14 -4.013 -12.031 1.463
122 H ASP 15 H ASP 15 -0.141 -9.223 -0.706
123 HA ASP 15 HA ASP 15 1.542 -10.529 1.198
124 HB2 ASP 15 2HB ASP 15 1.994 -10.823 -1.179
125 HB3 ASP 15 1HB ASP 15 2.193 -9.094 -1.385
126 HA PRO 16 HA PRO 16 2.391 -6.943 3.712
127 HB2 PRO 16 2HB PRO 16 4.838 -8.366 4.480
128 HB3 PRO 16 1HB PRO 16 3.498 -7.808 5.479
129 HG2 PRO 16 2HG PRO 16 3.985 -10.440 4.751
130 HG3 PRO 16 1HG PRO 16 2.445 -9.834 5.365
131 HD2 PRO 16 2HD PRO 16 3.140 -10.710 2.667
132 HD3 PRO 16 1HD PRO 16 1.556 -10.338 3.354
133 H LYS 17 H LYS 17 4.957 -8.440 1.738
134 HA LYS 17 HA LYS 17 6.576 -6.092 1.879
135 HB2 LYS 17 2HB LYS 17 6.804 -8.551 0.139
136 HB3 LYS 17 1HB LYS 17 7.964 -7.226 0.089
137 HG2 LYS 17 2HG LYS 17 7.338 -8.944 2.491
138 HG3 LYS 17 1HG LYS 17 8.779 -9.067 1.475
139 HD2 LYS 17 2HD LYS 17 9.413 -6.790 2.101
140 HD3 LYS 17 1HD LYS 17 7.957 -6.635 3.061
141 HE2 LYS 17 2HE LYS 17 8.717 -8.459 4.509
142 HE3 LYS 17 1HE LYS 17 10.220 -8.537 3.583
143 HZ1 LYS 17 1HZ LYS 17 9.234 -6.098 4.924
144 HZ2 LYS 17 2HZ LYS 17 10.770 -6.330 4.245
145 HZ3 LYS 17 3HZ LYS 17 10.353 -7.135 5.654
146 H LYS 18 H LYS 18 4.330 -7.353 -0.460
147 HA LYS 18 HA LYS 18 4.616 -5.293 -2.370
148 HB2 LYS 18 2HB LYS 18 2.279 -7.035 -1.635
149 HB3 LYS 18 1HB LYS 18 2.183 -5.844 -2.915
150 HG2 LYS 18 2HG LYS 18 4.129 -8.137 -2.848
151 HG3 LYS 18 1HG LYS 18 2.598 -8.128 -3.719
152 HD2 LYS 18 2HD LYS 18 3.334 -6.211 -5.028
153 HD3 LYS 18 1HD LYS 18 4.878 -6.209 -4.179
154 HE2 LYS 18 2HE LYS 18 5.092 -7.271 -6.329
155 HE3 LYS 18 1HE LYS 18 5.354 -8.441 -5.041
156 HZ1 LYS 18 1HZ LYS 18 3.097 -9.283 -5.413
157 HZ2 LYS 18 2HZ LYS 18 4.006 -9.336 -6.821
158 HZ3 LYS 18 3HZ LYS 18 2.855 -8.137 -6.632
159 H ARG 19 H ARG 19 2.729 -5.549 0.561
160 HA ARG 19 HA ARG 19 1.308 -3.141 0.312
161 HB2 ARG 19 2HB ARG 19 0.810 -4.898 2.042
162 HB3 ARG 19 1HB ARG 19 2.263 -4.412 2.900
163 HG2 ARG 19 2HG ARG 19 1.325 -2.185 3.260
164 HG3 ARG 19 1HG ARG 19 -0.119 -2.645 2.368
165 HD2 ARG 19 2HD ARG 19 -0.577 -2.772 4.736
166 HD3 ARG 19 1HD ARG 19 -0.567 -4.398 4.062
167 HE ARG 19 HE ARG 19 1.910 -4.252 4.952
168 HH11 ARG 19 1HH1 ARG 19 -1.054 -3.124 6.611
169 HH12 ARG 19 2HH1 ARG 19 -0.435 -3.468 8.152
170 HH21 ARG 19 1HH2 ARG 19 2.710 -4.670 7.130
171 HH22 ARG 19 2HH2 ARG 19 1.706 -4.295 8.455
172 H GLU 20 H GLU 20 4.435 -3.848 1.845
173 HA GLU 20 HA GLU 20 5.122 -1.229 2.603
174 HB2 GLU 20 2HB GLU 20 6.920 -3.525 1.789
175 HB3 GLU 20 1HB GLU 20 7.499 -2.023 2.481
176 HG2 GLU 20 2HG GLU 20 6.201 -2.519 4.530
177 HG3 GLU 20 1HG GLU 20 5.735 -4.057 3.794
178 H GLU 21 H GLU 21 5.696 -3.024 -0.389
179 HA GLU 21 HA GLU 21 7.298 -1.259 -1.753
180 HB2 GLU 21 2HB GLU 21 6.814 -3.629 -2.339
181 HB3 GLU 21 1HB GLU 21 5.201 -3.113 -2.823
182 HG2 GLU 21 2HG GLU 21 6.121 -1.702 -4.507
183 HG3 GLU 21 1HG GLU 21 7.750 -2.162 -3.997
184 H CYS 22 H CYS 22 3.761 -1.642 -1.868
185 HA CYS 22 HA CYS 22 3.377 0.466 -3.689
186 HB2 CYS 22 2HB CYS 22 1.759 -1.413 -3.217
187 HB3 CYS 22 1HB CYS 22 1.381 -0.605 -1.700
188 H LYS 23 H LYS 23 3.418 0.251 -0.182
189 HA LYS 23 HA LYS 23 2.497 2.817 0.471
190 HB2 LYS 23 2HB LYS 23 2.548 1.044 2.097
191 HB3 LYS 23 1HB LYS 23 4.281 0.866 1.922
192 HG2 LYS 23 2HG LYS 23 4.616 3.039 2.941
193 HG3 LYS 23 1HG LYS 23 2.870 3.250 3.095
194 HD2 LYS 23 2HD LYS 23 2.725 1.400 4.598
195 HD3 LYS 23 1HD LYS 23 4.413 0.977 4.326
196 HE2 LYS 23 2HE LYS 23 3.397 3.515 5.606
197 HE3 LYS 23 1HE LYS 23 4.106 2.148 6.461
198 HZ1 LYS 23 1HZ LYS 23 5.696 3.901 6.148
199 HZ2 LYS 23 2HZ LYS 23 5.529 3.857 4.474
200 HZ3 LYS 23 3HZ LYS 23 6.185 2.540 5.306
201 H ARG 24 H ARG 24 5.524 1.782 -0.826
202 HA ARG 24 HA ARG 24 7.156 3.919 0.077
203 HB2 ARG 24 2HB ARG 24 7.412 2.258 -2.440
204 HB3 ARG 24 1HB ARG 24 8.647 3.347 -1.833
205 HG2 ARG 24 2HG ARG 24 8.833 1.974 0.193
206 HG3 ARG 24 1HG ARG 24 7.618 0.873 -0.458
207 HD2 ARG 24 2HD ARG 24 9.824 -0.028 -0.841
208 HD3 ARG 24 1HD ARG 24 9.108 0.440 -2.384
209 HE ARG 24 HE ARG 24 10.490 2.620 -1.651
210 HH11 ARG 24 1HH1 ARG 24 11.458 -0.771 -2.034
211 HH12 ARG 24 2HH1 ARG 24 13.084 -0.404 -2.360
212 HH21 ARG 24 1HH2 ARG 24 12.664 3.114 -2.059
213 HH22 ARG 24 2HH2 ARG 24 13.810 1.887 -2.379
214 H LYS 25 H LYS 25 4.715 3.667 -2.286
215 HA LYS 25 HA LYS 25 5.406 6.333 -3.287
216 HB2 LYS 25 2HB LYS 25 5.191 4.547 -5.004
217 HB3 LYS 25 1HB LYS 25 3.533 4.278 -4.486
218 HG2 LYS 25 2HG LYS 25 2.925 6.515 -5.183
219 HG3 LYS 25 1HG LYS 25 4.595 6.849 -5.641
220 HD2 LYS 25 2HD LYS 25 4.469 5.015 -7.287
221 HD3 LYS 25 1HD LYS 25 2.773 4.780 -6.860
222 HE2 LYS 25 2HE LYS 25 2.279 7.064 -7.547
223 HE3 LYS 25 1HE LYS 25 3.972 7.316 -7.971
224 HZ1 LYS 25 1HZ LYS 25 2.666 6.814 -9.917
225 HZ2 LYS 25 2HZ LYS 25 2.113 5.385 -9.241
226 HZ3 LYS 25 3HZ LYS 25 3.746 5.551 -9.633
227 H ALA 26 H ALA 26 2.900 4.312 -1.908
228 HA ALA 26 HA ALA 26 1.020 6.447 -1.746
229 HB1 ALA 26 1HB ALA 26 -0.429 4.860 -0.630
230 HB2 ALA 26 2HB ALA 26 0.904 3.719 -0.483
231 HB3 ALA 26 3HB ALA 26 0.277 4.139 -2.074
Start of MODEL 12
1 H HIS 1 H HIS 1 1.604 8.853 -2.324
2 HA HIS 1 HA HIS 1 2.297 9.313 0.493
3 HB2 HIS 1 2HB HIS 1 2.366 11.254 -1.822
4 HB3 HIS 1 1HB HIS 1 2.474 11.746 -0.136
5 HD1 HIS 1 1HD HIS 1 4.550 10.750 -2.939
6 HD2 HIS 1 2HD HIS 1 4.757 10.582 1.191
7 HE1 HIS 1 1HE HIS 1 6.987 10.353 -2.382
8 H ASP 2 H ASP 2 -0.123 8.496 -1.220
9 HA ASP 2 HA ASP 2 -2.076 10.525 -0.733
10 HB2 ASP 2 2HB ASP 2 -2.527 7.572 -1.268
11 HB3 ASP 2 1HB ASP 2 -3.732 8.830 -1.352
12 HA PRO 3 HA PRO 3 -2.912 9.251 3.504
13 HB2 PRO 3 2HB PRO 3 -5.664 10.183 3.236
14 HB3 PRO 3 1HB PRO 3 -4.366 10.875 4.205
15 HG2 PRO 3 2HG PRO 3 -5.387 12.095 1.988
16 HG3 PRO 3 1HG PRO 3 -3.725 12.325 2.551
17 HD2 PRO 3 2HD PRO 3 -4.739 10.625 0.295
18 HD3 PRO 3 1HD PRO 3 -3.249 11.588 0.435
19 H GLU 4 H GLU 4 -4.505 8.260 0.766
20 HA GLU 4 HA GLU 4 -6.303 6.293 1.930
21 HB2 GLU 4 2HB GLU 4 -5.597 6.887 -0.941
22 HB3 GLU 4 1HB GLU 4 -6.938 5.897 -0.385
23 HG2 GLU 4 2HG GLU 4 -8.026 7.797 0.570
24 HG3 GLU 4 1HG GLU 4 -6.629 8.821 0.247
25 H LYS 5 H LYS 5 -3.011 6.420 1.190
26 HA LYS 5 HA LYS 5 -2.545 4.196 -0.418
27 HB2 LYS 5 2HB LYS 5 -0.195 4.363 0.161
28 HB3 LYS 5 1HB LYS 5 -0.878 5.960 -0.025
29 HG2 LYS 5 2HG LYS 5 -0.981 6.231 2.395
30 HG3 LYS 5 1HG LYS 5 -0.324 4.607 2.613
31 HD2 LYS 5 2HD LYS 5 1.708 5.301 1.415
32 HD3 LYS 5 1HD LYS 5 1.040 6.922 1.246
33 HE2 LYS 5 2HE LYS 5 1.669 5.525 3.844
34 HE3 LYS 5 1HE LYS 5 2.639 6.788 3.092
35 HZ1 LYS 5 1HZ LYS 5 1.253 7.670 4.848
36 HZ2 LYS 5 2HZ LYS 5 -0.130 7.098 4.139
37 HZ3 LYS 5 3HZ LYS 5 0.768 8.318 3.375
38 H ARG 6 H ARG 6 -2.584 4.306 3.131
39 HA ARG 6 HA ARG 6 -1.653 1.675 3.434
40 HB2 ARG 6 2HB ARG 6 -1.506 3.303 5.265
41 HB3 ARG 6 1HB ARG 6 -3.258 3.370 5.366
42 HG2 ARG 6 2HG ARG 6 -3.340 1.073 6.118
43 HG3 ARG 6 1HG ARG 6 -1.597 0.923 5.899
44 HD2 ARG 6 2HD ARG 6 -1.197 2.544 7.651
45 HD3 ARG 6 1HD ARG 6 -2.931 2.831 7.824
46 HE ARG 6 HE ARG 6 -3.004 0.359 8.386
47 HH11 ARG 6 1HH1 ARG 6 -0.276 2.440 9.328
48 HH12 ARG 6 2HH1 ARG 6 0.171 1.468 10.650
49 HH21 ARG 6 1HH2 ARG 6 -2.386 -0.934 10.221
50 HH22 ARG 6 2HH2 ARG 6 -1.046 -0.492 11.158
51 H LYS 7 H LYS 7 -4.837 3.038 3.144
52 HA LYS 7 HA LYS 7 -6.273 0.663 3.819
53 HB2 LYS 7 2HB LYS 7 -7.180 2.999 3.980
54 HB3 LYS 7 1HB LYS 7 -7.167 3.040 2.221
55 HG2 LYS 7 2HG LYS 7 -8.793 1.226 2.161
56 HG3 LYS 7 1HG LYS 7 -8.826 1.201 3.925
57 HD2 LYS 7 2HD LYS 7 -9.560 3.557 3.919
58 HD3 LYS 7 1HD LYS 7 -9.584 3.526 2.158
59 HE2 LYS 7 2HE LYS 7 -11.818 3.218 2.967
60 HE3 LYS 7 1HE LYS 7 -11.259 1.702 2.265
61 HZ1 LYS 7 1HZ LYS 7 -12.432 1.343 4.311
62 HZ2 LYS 7 2HZ LYS 7 -11.383 2.349 5.166
63 HZ3 LYS 7 3HZ LYS 7 -10.821 0.893 4.524
64 H GLU 8 H GLU 8 -5.827 2.380 0.779
65 HA GLU 8 HA GLU 8 -7.050 0.564 -0.875
66 HB2 GLU 8 2HB GLU 8 -6.475 2.837 -1.552
67 HB3 GLU 8 1HB GLU 8 -4.766 2.451 -1.471
68 HG2 GLU 8 2HG GLU 8 -5.407 2.454 -3.767
69 HG3 GLU 8 1HG GLU 8 -5.122 0.785 -3.288
70 H CYS 9 H CYS 9 -3.674 0.866 0.102
71 HA CYS 9 HA CYS 9 -3.071 -1.294 -1.642
72 HB2 CYS 9 2HB CYS 9 -1.248 0.485 -0.074
73 HB3 CYS 9 1HB CYS 9 -0.652 -0.943 -0.930
74 H GLU 10 H GLU 10 -3.718 -1.081 1.745
75 HA GLU 10 HA GLU 10 -2.505 -3.585 2.266
76 HB2 GLU 10 2HB GLU 10 -3.179 -2.026 4.077
77 HB3 GLU 10 1HB GLU 10 -4.859 -2.337 3.676
78 HG2 GLU 10 2HG GLU 10 -4.607 -4.669 4.253
79 HG3 GLU 10 1HG GLU 10 -2.900 -4.424 4.608
80 H LYS 11 H LYS 11 -5.725 -2.552 1.246
81 HA LYS 11 HA LYS 11 -6.465 -5.327 1.212
82 HB2 LYS 11 2HB LYS 11 -8.115 -2.889 0.558
83 HB3 LYS 11 1HB LYS 11 -8.728 -4.539 0.524
84 HG2 LYS 11 2HG LYS 11 -7.718 -3.017 2.934
85 HG3 LYS 11 1HG LYS 11 -9.371 -3.546 2.617
86 HD2 LYS 11 2HD LYS 11 -8.529 -5.914 2.661
87 HD3 LYS 11 1HD LYS 11 -6.969 -5.289 3.186
88 HE2 LYS 11 2HE LYS 11 -9.585 -5.002 4.650
89 HE3 LYS 11 1HE LYS 11 -8.298 -6.118 5.063
90 HZ1 LYS 11 1HZ LYS 11 -8.278 -4.202 6.464
91 HZ2 LYS 11 2HZ LYS 11 -8.126 -3.152 5.169
92 HZ3 LYS 11 3HZ LYS 11 -6.860 -4.189 5.577
93 H LYS 12 H LYS 12 -5.045 -3.252 -0.970
94 HA LYS 12 HA LYS 12 -5.935 -4.725 -3.305
95 HB2 LYS 12 2HB LYS 12 -5.299 -2.363 -3.567
96 HB3 LYS 12 1HB LYS 12 -3.681 -2.725 -2.987
97 HG2 LYS 12 2HG LYS 12 -3.370 -4.216 -4.965
98 HG3 LYS 12 1HG LYS 12 -4.924 -3.649 -5.574
99 HD2 LYS 12 2HD LYS 12 -2.591 -1.845 -4.928
100 HD3 LYS 12 1HD LYS 12 -2.922 -2.483 -6.532
101 HE2 LYS 12 2HE LYS 12 -4.837 -0.777 -4.939
102 HE3 LYS 12 1HE LYS 12 -3.729 -0.160 -6.157
103 HZ1 LYS 12 1HZ LYS 12 -4.847 -1.603 -7.795
104 HZ2 LYS 12 2HZ LYS 12 -5.874 -0.471 -7.104
105 HZ3 LYS 12 3HZ LYS 12 -5.969 -2.069 -6.609
106 H TYR 13 H TYR 13 -3.133 -4.680 -1.122
107 HA TYR 13 HA TYR 13 -2.073 -6.961 -2.625
108 HB2 TYR 13 2HB TYR 13 -0.544 -5.056 -0.861
109 HB3 TYR 13 1HB TYR 13 0.126 -6.368 -1.810
110 HD1 TYR 13 1HD TYR 13 -0.883 -2.942 -1.733
111 HD2 TYR 13 2HD TYR 13 0.169 -6.109 -4.337
112 HE1 TYR 13 1HE TYR 13 -0.404 -1.306 -3.507
113 HE2 TYR 13 2HE TYR 13 0.657 -4.494 -6.117
114 HH TYR 13 HH TYR 13 0.065 -2.213 -6.735
115 H THR 14 H THR 14 -2.754 -8.758 -1.459
116 HA THR 14 HA THR 14 -2.633 -8.743 1.393
117 HB THR 14 HB THR 14 -2.823 -11.323 0.968
118 HG1 THR 14 1HG THR 14 -2.532 -11.685 -1.099
119 HG21 THR 14 1HG2 THR 14 -5.258 -11.114 0.627
120 HG22 THR 14 2HG2 THR 14 -5.037 -9.417 0.188
121 HG23 THR 14 3HG2 THR 14 -4.655 -9.968 1.820
122 H ASP 15 H ASP 15 -0.525 -9.151 -1.168
123 HA ASP 15 HA ASP 15 1.527 -10.703 0.033
124 HB2 ASP 15 2HB ASP 15 1.349 -10.376 -2.403
125 HB3 ASP 15 1HB ASP 15 1.664 -8.658 -2.195
126 HA PRO 16 HA PRO 16 2.691 -7.450 2.886
127 HB2 PRO 16 2HB PRO 16 5.155 -8.970 3.344
128 HB3 PRO 16 1HB PRO 16 3.848 -8.580 4.467
129 HG2 PRO 16 2HG PRO 16 4.240 -11.072 3.542
130 HG3 PRO 16 1HG PRO 16 2.625 -10.436 3.896
131 HD2 PRO 16 2HD PRO 16 3.992 -10.763 1.258
132 HD3 PRO 16 1HD PRO 16 2.305 -11.068 1.729
133 H LYS 17 H LYS 17 4.912 -8.588 0.381
134 HA LYS 17 HA LYS 17 6.806 -6.498 0.915
135 HB2 LYS 17 2HB LYS 17 6.594 -8.379 -1.436
136 HB3 LYS 17 1HB LYS 17 7.886 -7.215 -1.206
137 HG2 LYS 17 2HG LYS 17 8.490 -8.370 0.899
138 HG3 LYS 17 1HG LYS 17 7.263 -9.588 0.532
139 HD2 LYS 17 2HD LYS 17 8.405 -10.115 -1.567
140 HD3 LYS 17 1HD LYS 17 9.615 -8.883 -1.222
141 HE2 LYS 17 2HE LYS 17 10.482 -11.070 -0.683
142 HE3 LYS 17 1HE LYS 17 10.279 -10.128 0.793
143 HZ1 LYS 17 1HZ LYS 17 8.219 -11.342 1.215
144 HZ2 LYS 17 2HZ LYS 17 9.497 -12.417 1.061
145 HZ3 LYS 17 3HZ LYS 17 8.411 -12.223 -0.192
146 H LYS 18 H LYS 18 4.465 -7.186 -1.579
147 HA LYS 18 HA LYS 18 4.855 -4.810 -3.058
148 HB2 LYS 18 2HB LYS 18 2.377 -6.509 -2.812
149 HB3 LYS 18 1HB LYS 18 2.655 -5.292 -4.047
150 HG2 LYS 18 2HG LYS 18 4.539 -6.575 -4.895
151 HG3 LYS 18 1HG LYS 18 4.273 -7.791 -3.643
152 HD2 LYS 18 2HD LYS 18 2.037 -8.221 -4.547
153 HD3 LYS 18 1HD LYS 18 2.318 -7.020 -5.808
154 HE2 LYS 18 2HE LYS 18 2.695 -9.250 -6.676
155 HE3 LYS 18 1HE LYS 18 4.210 -8.359 -6.638
156 HZ1 LYS 18 1HZ LYS 18 3.323 -10.443 -4.716
157 HZ2 LYS 18 2HZ LYS 18 4.713 -9.509 -4.523
158 HZ3 LYS 18 3HZ LYS 18 4.595 -10.554 -5.825
159 H ARG 19 H ARG 19 2.769 -5.596 -0.360
160 HA ARG 19 HA ARG 19 1.308 -3.189 -0.307
161 HB2 ARG 19 2HB ARG 19 0.618 -5.245 0.868
162 HB3 ARG 19 1HB ARG 19 1.988 -5.078 1.944
163 HG2 ARG 19 2HG ARG 19 1.077 -3.142 2.950
164 HG3 ARG 19 1HG ARG 19 -0.186 -3.027 1.720
165 HD2 ARG 19 2HD ARG 19 -1.050 -3.964 3.792
166 HD3 ARG 19 1HD ARG 19 -1.137 -5.132 2.473
167 HE ARG 19 HE ARG 19 0.922 -5.132 4.558
168 HH11 ARG 19 1HH1 ARG 19 -1.258 -6.914 2.373
169 HH12 ARG 19 2HH1 ARG 19 -0.964 -8.428 3.109
170 HH21 ARG 19 1HH2 ARG 19 1.331 -7.245 5.500
171 HH22 ARG 19 2HH2 ARG 19 0.542 -8.635 4.928
172 H GLU 20 H GLU 20 4.233 -4.228 1.429
173 HA GLU 20 HA GLU 20 4.748 -1.857 2.802
174 HB2 GLU 20 2HB GLU 20 5.884 -3.866 3.425
175 HB3 GLU 20 1HB GLU 20 6.522 -4.089 1.815
176 HG2 GLU 20 2HG GLU 20 8.227 -3.429 3.456
177 HG3 GLU 20 1HG GLU 20 8.080 -2.282 2.134
178 H GLU 21 H GLU 21 5.591 -2.855 -0.474
179 HA GLU 21 HA GLU 21 7.212 -0.648 -1.089
180 HB2 GLU 21 2HB GLU 21 5.557 -2.366 -2.915
181 HB3 GLU 21 1HB GLU 21 6.660 -1.124 -3.479
182 HG2 GLU 21 2HG GLU 21 8.484 -2.374 -2.262
183 HG3 GLU 21 1HG GLU 21 7.306 -3.659 -1.999
184 H CYS 22 H CYS 22 3.736 -1.144 -1.680
185 HA CYS 22 HA CYS 22 3.418 1.351 -2.898
186 HB2 CYS 22 2HB CYS 22 1.660 -0.328 -3.119
187 HB3 CYS 22 1HB CYS 22 1.340 -0.248 -1.387
188 H LYS 23 H LYS 23 3.142 0.350 0.447
189 HA LYS 23 HA LYS 23 2.119 2.691 1.553
190 HB2 LYS 23 2HB LYS 23 2.125 0.551 2.705
191 HB3 LYS 23 1HB LYS 23 3.878 0.558 2.743
192 HG2 LYS 23 2HG LYS 23 3.914 2.320 4.346
193 HG3 LYS 23 1HG LYS 23 2.181 2.603 4.160
194 HD2 LYS 23 2HD LYS 23 2.659 1.348 6.214
195 HD3 LYS 23 1HD LYS 23 1.705 0.393 5.086
196 HE2 LYS 23 2HE LYS 23 3.381 -1.014 6.040
197 HE3 LYS 23 1HE LYS 23 3.800 -0.743 4.357
198 HZ1 LYS 23 1HZ LYS 23 5.753 -0.576 5.646
199 HZ2 LYS 23 2HZ LYS 23 5.031 0.450 6.764
200 HZ3 LYS 23 3HZ LYS 23 5.392 1.029 5.219
201 H ARG 24 H ARG 24 5.420 1.828 0.745
202 HA ARG 24 HA ARG 24 6.436 4.272 1.965
203 HB2 ARG 24 2HB ARG 24 8.662 3.481 1.322
204 HB3 ARG 24 1HB ARG 24 7.774 2.223 2.168
205 HG2 ARG 24 2HG ARG 24 7.304 1.100 0.106
206 HG3 ARG 24 1HG ARG 24 8.101 2.383 -0.805
207 HD2 ARG 24 2HD ARG 24 9.544 0.429 -0.515
208 HD3 ARG 24 1HD ARG 24 10.206 1.865 0.267
209 HE ARG 24 HE ARG 24 8.660 0.237 2.046
210 HH11 ARG 24 1HH1 ARG 24 11.869 0.487 0.547
211 HH12 ARG 24 2HH1 ARG 24 12.673 -0.260 1.840
212 HH21 ARG 24 1HH2 ARG 24 9.707 -0.731 3.740
213 HH22 ARG 24 2HH2 ARG 24 11.398 -1.010 3.773
214 H LYS 25 H LYS 25 5.048 3.465 -0.938
215 HA LYS 25 HA LYS 25 6.802 5.150 -2.567
216 HB2 LYS 25 2HB LYS 25 6.269 2.858 -3.297
217 HB3 LYS 25 1HB LYS 25 4.575 3.286 -3.348
218 HG2 LYS 25 2HG LYS 25 4.992 4.833 -5.156
219 HG3 LYS 25 1HG LYS 25 6.726 4.487 -5.079
220 HD2 LYS 25 2HD LYS 25 6.222 2.113 -5.521
221 HD3 LYS 25 1HD LYS 25 4.521 2.532 -5.704
222 HE2 LYS 25 2HE LYS 25 5.087 3.974 -7.594
223 HE3 LYS 25 1HE LYS 25 6.790 3.571 -7.386
224 HZ1 LYS 25 1HZ LYS 25 4.623 1.672 -8.078
225 HZ2 LYS 25 2HZ LYS 25 6.213 1.230 -7.784
226 HZ3 LYS 25 3HZ LYS 25 5.852 2.187 -9.110
227 H ALA 26 H ALA 26 3.362 4.672 -1.851
228 HA ALA 26 HA ALA 26 2.644 7.057 -3.277
229 HB1 ALA 26 1HB ALA 26 0.366 6.540 -2.562
230 HB2 ALA 26 2HB ALA 26 0.982 5.277 -1.495
231 HB3 ALA 26 3HB ALA 26 1.151 5.114 -3.243
Start of MODEL 13
1 H HIS 1 H HIS 1 1.609 8.774 -1.605
2 HA HIS 1 HA HIS 1 2.678 8.993 1.139
3 HB2 HIS 1 2HB HIS 1 2.586 11.217 -0.924
4 HB3 HIS 1 1HB HIS 1 3.038 11.427 0.762
5 HD1 HIS 1 1HD HIS 1 4.415 10.587 -2.521
6 HD2 HIS 1 2HD HIS 1 5.503 10.102 1.451
7 HE1 HIS 1 1HE HIS 1 6.862 9.955 -2.547
8 H ASP 2 H ASP 2 0.004 9.015 -0.841
9 HA ASP 2 HA ASP 2 -1.525 10.871 0.775
10 HB2 ASP 2 2HB ASP 2 -2.265 9.233 -1.657
11 HB3 ASP 2 1HB ASP 2 -3.428 10.203 -0.767
12 HA PRO 3 HA PRO 3 -3.017 8.028 3.720
13 HB2 PRO 3 2HB PRO 3 -5.690 8.820 3.844
14 HB3 PRO 3 1HB PRO 3 -4.360 9.535 4.754
15 HG2 PRO 3 2HG PRO 3 -5.639 10.471 2.228
16 HG3 PRO 3 1HG PRO 3 -5.006 11.407 3.591
17 HD2 PRO 3 2HD PRO 3 -3.664 11.200 1.285
18 HD3 PRO 3 1HD PRO 3 -2.822 11.251 2.846
19 H GLU 4 H GLU 4 -4.628 8.209 0.659
20 HA GLU 4 HA GLU 4 -6.395 6.059 0.804
21 HB2 GLU 4 2HB GLU 4 -6.348 7.638 -1.062
22 HB3 GLU 4 1HB GLU 4 -4.778 7.033 -1.564
23 HG2 GLU 4 2HG GLU 4 -5.802 4.867 -2.082
24 HG3 GLU 4 1HG GLU 4 -7.371 5.489 -1.571
25 H LYS 5 H LYS 5 -2.912 6.113 0.533
26 HA LYS 5 HA LYS 5 -2.473 3.658 -0.710
27 HB2 LYS 5 2HB LYS 5 -0.160 3.835 -0.044
28 HB3 LYS 5 1HB LYS 5 -0.779 5.428 -0.357
29 HG2 LYS 5 2HG LYS 5 -0.917 5.956 1.955
30 HG3 LYS 5 1HG LYS 5 -0.527 4.295 2.409
31 HD2 LYS 5 2HD LYS 5 1.669 4.520 1.379
32 HD3 LYS 5 1HD LYS 5 1.274 6.163 0.881
33 HE2 LYS 5 2HE LYS 5 1.019 6.796 3.226
34 HE3 LYS 5 1HE LYS 5 1.450 5.156 3.704
35 HZ1 LYS 5 1HZ LYS 5 3.646 5.452 2.783
36 HZ2 LYS 5 2HZ LYS 5 3.350 6.797 3.767
37 HZ3 LYS 5 3HZ LYS 5 3.224 6.922 2.114
38 H ARG 6 H ARG 6 -2.987 4.353 2.717
39 HA ARG 6 HA ARG 6 -2.209 1.794 3.640
40 HB2 ARG 6 2HB ARG 6 -4.078 3.826 4.848
41 HB3 ARG 6 1HB ARG 6 -3.710 2.300 5.622
42 HG2 ARG 6 2HG ARG 6 -1.302 2.985 5.635
43 HG3 ARG 6 1HG ARG 6 -1.821 4.573 5.052
44 HD2 ARG 6 2HD ARG 6 -3.208 4.901 6.983
45 HD3 ARG 6 1HD ARG 6 -2.903 3.257 7.534
46 HE ARG 6 HE ARG 6 -0.603 4.979 7.276
47 HH11 ARG 6 1HH1 ARG 6 -3.078 3.599 9.422
48 HH12 ARG 6 2HH1 ARG 6 -2.256 3.954 10.858
49 HH21 ARG 6 1HH2 ARG 6 0.557 5.438 9.302
50 HH22 ARG 6 2HH2 ARG 6 -0.133 4.986 10.784
51 H LYS 7 H LYS 7 -5.323 3.174 2.867
52 HA LYS 7 HA LYS 7 -6.797 0.856 3.516
53 HB2 LYS 7 2HB LYS 7 -7.693 3.210 3.428
54 HB3 LYS 7 1HB LYS 7 -7.591 3.092 1.675
55 HG2 LYS 7 2HG LYS 7 -9.182 1.263 1.677
56 HG3 LYS 7 1HG LYS 7 -9.282 1.341 3.436
57 HD2 LYS 7 2HD LYS 7 -10.069 3.683 3.237
58 HD3 LYS 7 1HD LYS 7 -10.079 3.494 1.485
59 HE2 LYS 7 2HE LYS 7 -12.311 3.163 2.327
60 HE3 LYS 7 1HE LYS 7 -11.680 1.629 1.735
61 HZ1 LYS 7 1HZ LYS 7 -11.791 2.465 4.581
62 HZ2 LYS 7 2HZ LYS 7 -11.200 0.986 4.014
63 HZ3 LYS 7 3HZ LYS 7 -12.827 1.372 3.826
64 H GLU 8 H GLU 8 -5.897 2.313 0.416
65 HA GLU 8 HA GLU 8 -7.140 0.386 -1.172
66 HB2 GLU 8 2HB GLU 8 -6.362 2.737 -1.771
67 HB3 GLU 8 1HB GLU 8 -4.763 2.043 -1.976
68 HG2 GLU 8 2HG GLU 8 -5.767 2.202 -4.123
69 HG3 GLU 8 1HG GLU 8 -5.751 0.496 -3.677
70 H CYS 9 H CYS 9 -3.840 0.618 0.152
71 HA CYS 9 HA CYS 9 -3.139 -1.643 -1.458
72 HB2 CYS 9 2HB CYS 9 -1.404 0.046 0.320
73 HB3 CYS 9 1HB CYS 9 -0.820 -1.422 -0.467
74 H GLU 10 H GLU 10 -4.090 -1.201 1.865
75 HA GLU 10 HA GLU 10 -3.163 -3.840 2.524
76 HB2 GLU 10 2HB GLU 10 -3.585 -2.042 4.239
77 HB3 GLU 10 1HB GLU 10 -5.303 -2.202 3.908
78 HG2 GLU 10 2HG GLU 10 -5.254 -4.503 4.675
79 HG3 GLU 10 1HG GLU 10 -3.520 -4.381 4.956
80 H LYS 11 H LYS 11 -5.956 -2.373 1.222
81 HA LYS 11 HA LYS 11 -7.811 -4.488 1.227
82 HB2 LYS 11 2HB LYS 11 -8.509 -2.266 0.886
83 HB3 LYS 11 1HB LYS 11 -7.346 -2.020 -0.391
84 HG2 LYS 11 2HG LYS 11 -8.709 -3.634 -1.767
85 HG3 LYS 11 1HG LYS 11 -9.942 -3.518 -0.496
86 HD2 LYS 11 2HD LYS 11 -10.083 -1.146 -0.752
87 HD3 LYS 11 1HD LYS 11 -8.712 -1.132 -1.851
88 HE2 LYS 11 2HE LYS 11 -10.066 -2.485 -3.434
89 HE3 LYS 11 1HE LYS 11 -11.452 -2.260 -2.358
90 HZ1 LYS 11 1HZ LYS 11 -9.854 -0.095 -3.558
91 HZ2 LYS 11 2HZ LYS 11 -11.284 0.120 -2.668
92 HZ3 LYS 11 3HZ LYS 11 -11.321 -0.617 -4.183
93 H LYS 12 H LYS 12 -5.711 -3.242 -1.369
94 HA LYS 12 HA LYS 12 -6.392 -5.435 -3.079
95 HB2 LYS 12 2HB LYS 12 -6.121 -3.160 -3.926
96 HB3 LYS 12 1HB LYS 12 -4.432 -3.187 -3.462
97 HG2 LYS 12 2HG LYS 12 -3.988 -4.953 -5.078
98 HG3 LYS 12 1HG LYS 12 -5.697 -4.994 -5.521
99 HD2 LYS 12 2HD LYS 12 -5.541 -2.645 -6.241
100 HD3 LYS 12 1HD LYS 12 -3.825 -2.650 -5.843
101 HE2 LYS 12 2HE LYS 12 -5.145 -4.443 -7.879
102 HE3 LYS 12 1HE LYS 12 -4.254 -2.972 -8.255
103 HZ1 LYS 12 1HZ LYS 12 -2.268 -3.991 -7.300
104 HZ2 LYS 12 2HZ LYS 12 -2.894 -4.918 -8.560
105 HZ3 LYS 12 3HZ LYS 12 -3.133 -5.417 -6.981
106 H TYR 13 H TYR 13 -3.524 -4.522 -1.187
107 HA TYR 13 HA TYR 13 -2.211 -6.825 -2.364
108 HB2 TYR 13 2HB TYR 13 -0.971 -4.423 -1.023
109 HB3 TYR 13 1HB TYR 13 -0.071 -5.818 -1.615
110 HD1 TYR 13 1HD TYR 13 -1.708 -2.718 -2.495
111 HD2 TYR 13 2HD TYR 13 -0.031 -6.293 -4.062
112 HE1 TYR 13 1HE TYR 13 -1.657 -1.707 -4.719
113 HE2 TYR 13 2HE TYR 13 0.034 -5.291 -6.284
114 HH TYR 13 HH TYR 13 -0.382 -2.044 -6.881
115 H THR 14 H THR 14 -2.726 -8.508 -1.167
116 HA THR 14 HA THR 14 -2.606 -8.485 1.672
117 HB THR 14 HB THR 14 -2.533 -11.080 1.058
118 HG1 THR 14 1HG THR 14 -2.513 -11.306 -1.052
119 HG21 THR 14 1HG2 THR 14 -4.421 -9.942 2.140
120 HG22 THR 14 2HG2 THR 14 -4.992 -11.048 0.887
121 HG23 THR 14 3HG2 THR 14 -4.930 -9.315 0.574
122 H ASP 15 H ASP 15 -0.569 -9.025 -1.011
123 HA ASP 15 HA ASP 15 1.588 -10.432 0.079
124 HB2 ASP 15 2HB ASP 15 1.208 -10.067 -2.326
125 HB3 ASP 15 1HB ASP 15 1.585 -8.363 -2.111
126 HA PRO 16 HA PRO 16 2.941 -7.289 2.991
127 HB2 PRO 16 2HB PRO 16 5.369 -9.005 2.960
128 HB3 PRO 16 1HB PRO 16 4.429 -8.412 4.335
129 HG2 PRO 16 2HG PRO 16 4.200 -10.934 3.582
130 HG3 PRO 16 1HG PRO 16 2.761 -10.009 4.050
131 HD2 PRO 16 2HD PRO 16 3.748 -10.727 1.322
132 HD3 PRO 16 1HD PRO 16 2.090 -10.732 1.974
133 H LYS 17 H LYS 17 5.039 -8.439 0.354
134 HA LYS 17 HA LYS 17 6.754 -6.184 0.696
135 HB2 LYS 17 2HB LYS 17 6.779 -8.432 -1.273
136 HB3 LYS 17 1HB LYS 17 7.808 -7.024 -1.516
137 HG2 LYS 17 2HG LYS 17 7.799 -8.714 0.974
138 HG3 LYS 17 1HG LYS 17 8.933 -8.911 -0.367
139 HD2 LYS 17 2HD LYS 17 9.801 -6.696 -0.028
140 HD3 LYS 17 1HD LYS 17 8.594 -6.339 1.200
141 HE2 LYS 17 2HE LYS 17 9.534 -8.074 2.619
142 HE3 LYS 17 1HE LYS 17 10.735 -8.437 1.385
143 HZ1 LYS 17 1HZ LYS 17 11.701 -6.303 1.648
144 HZ2 LYS 17 2HZ LYS 17 11.521 -6.919 3.211
145 HZ3 LYS 17 3HZ LYS 17 10.450 -5.754 2.624
146 H LYS 18 H LYS 18 4.360 -7.012 -1.740
147 HA LYS 18 HA LYS 18 4.784 -4.594 -3.170
148 HB2 LYS 18 2HB LYS 18 2.491 -6.527 -3.122
149 HB3 LYS 18 1HB LYS 18 2.343 -5.007 -3.993
150 HG2 LYS 18 2HG LYS 18 4.301 -5.576 -5.328
151 HG3 LYS 18 1HG LYS 18 4.443 -7.107 -4.460
152 HD2 LYS 18 2HD LYS 18 1.959 -6.340 -5.971
153 HD3 LYS 18 1HD LYS 18 3.316 -7.145 -6.755
154 HE2 LYS 18 2HE LYS 18 1.860 -8.221 -4.342
155 HE3 LYS 18 1HE LYS 18 1.513 -8.672 -6.010
156 HZ1 LYS 18 1HZ LYS 18 3.748 -9.513 -6.233
157 HZ2 LYS 18 2HZ LYS 18 3.013 -10.284 -4.952
158 HZ3 LYS 18 3HZ LYS 18 4.145 -9.073 -4.670
159 H ARG 19 H ARG 19 2.846 -5.360 -0.440
160 HA ARG 19 HA ARG 19 1.504 -2.855 -0.353
161 HB2 ARG 19 2HB ARG 19 0.457 -4.744 0.640
162 HB3 ARG 19 1HB ARG 19 1.870 -5.102 1.603
163 HG2 ARG 19 2HG ARG 19 1.446 -3.277 3.041
164 HG3 ARG 19 1HG ARG 19 0.190 -2.648 1.971
165 HD2 ARG 19 2HD ARG 19 -0.600 -3.958 4.015
166 HD3 ARG 19 1HD ARG 19 -1.268 -4.403 2.448
167 HE ARG 19 HE ARG 19 0.355 -6.236 2.421
168 HH11 ARG 19 1HH1 ARG 19 -0.500 -4.885 5.581
169 HH12 ARG 19 2HH1 ARG 19 -0.372 -6.373 6.404
170 HH21 ARG 19 1HH2 ARG 19 0.452 -8.315 3.569
171 HH22 ARG 19 2HH2 ARG 19 0.175 -8.352 5.239
172 H GLU 20 H GLU 20 4.398 -4.185 1.213
173 HA GLU 20 HA GLU 20 5.083 -2.016 2.842
174 HB2 GLU 20 2HB GLU 20 6.111 -4.260 2.959
175 HB3 GLU 20 1HB GLU 20 6.859 -3.992 1.399
176 HG2 GLU 20 2HG GLU 20 8.193 -2.190 2.349
177 HG3 GLU 20 1HG GLU 20 7.434 -2.460 3.919
178 H GLU 21 H GLU 21 5.921 -2.797 -0.501
179 HA GLU 21 HA GLU 21 7.441 -0.480 -0.924
180 HB2 GLU 21 2HB GLU 21 6.109 -2.380 -2.782
181 HB3 GLU 21 1HB GLU 21 6.933 -0.934 -3.360
182 HG2 GLU 21 2HG GLU 21 8.121 -3.203 -1.749
183 HG3 GLU 21 1HG GLU 21 8.442 -2.848 -3.448
184 H CYS 22 H CYS 22 4.024 -1.167 -1.375
185 HA CYS 22 HA CYS 22 3.422 1.196 -2.635
186 HB2 CYS 22 2HB CYS 22 1.697 -0.484 -2.474
187 HB3 CYS 22 1HB CYS 22 1.726 -0.422 -0.714
188 H LYS 23 H LYS 23 3.712 0.435 0.782
189 HA LYS 23 HA LYS 23 2.928 2.804 1.997
190 HB2 LYS 23 2HB LYS 23 3.406 0.674 3.134
191 HB3 LYS 23 1HB LYS 23 5.112 0.871 2.795
192 HG2 LYS 23 2HG LYS 23 5.058 2.952 4.194
193 HG3 LYS 23 1HG LYS 23 3.404 2.523 4.635
194 HD2 LYS 23 2HD LYS 23 5.809 0.746 5.081
195 HD3 LYS 23 1HD LYS 23 5.097 1.786 6.311
196 HE2 LYS 23 2HE LYS 23 3.604 -0.414 4.881
197 HE3 LYS 23 1HE LYS 23 4.416 -0.623 6.423
198 HZ1 LYS 23 1HZ LYS 23 2.975 1.061 7.379
199 HZ2 LYS 23 2HZ LYS 23 2.081 -0.196 6.724
200 HZ3 LYS 23 3HZ LYS 23 2.170 1.268 5.902
201 H ARG 24 H ARG 24 5.936 1.938 0.427
202 HA ARG 24 HA ARG 24 7.309 4.398 1.178
203 HB2 ARG 24 2HB ARG 24 8.167 2.035 -0.473
204 HB3 ARG 24 1HB ARG 24 9.188 3.408 -0.076
205 HG2 ARG 24 2HG ARG 24 9.094 2.869 2.255
206 HG3 ARG 24 1HG ARG 24 7.924 1.585 1.945
207 HD2 ARG 24 2HD ARG 24 9.562 0.379 0.632
208 HD3 ARG 24 1HD ARG 24 10.731 1.679 0.862
209 HE ARG 24 HE ARG 24 10.418 1.161 3.307
210 HH11 ARG 24 1HH1 ARG 24 10.218 -1.332 0.762
211 HH12 ARG 24 2HH1 ARG 24 10.695 -2.578 1.817
212 HH21 ARG 24 1HH2 ARG 24 11.151 -0.581 4.682
213 HH22 ARG 24 2HH2 ARG 24 11.313 -2.154 4.046
214 H LYS 25 H LYS 25 5.282 3.381 -1.314
215 HA LYS 25 HA LYS 25 6.593 5.011 -3.354
216 HB2 LYS 25 2HB LYS 25 5.886 2.770 -4.003
217 HB3 LYS 25 1HB LYS 25 4.246 3.112 -3.492
218 HG2 LYS 25 2HG LYS 25 4.448 3.140 -5.919
219 HG3 LYS 25 1HG LYS 25 4.006 4.731 -5.304
220 HD2 LYS 25 2HD LYS 25 6.277 5.512 -5.576
221 HD3 LYS 25 1HD LYS 25 6.815 3.899 -6.044
222 HE2 LYS 25 2HE LYS 25 6.533 5.374 -7.989
223 HE3 LYS 25 1HE LYS 25 5.442 3.996 -8.048
224 HZ1 LYS 25 1HZ LYS 25 4.667 6.728 -7.144
225 HZ2 LYS 25 2HZ LYS 25 3.631 5.408 -7.351
226 HZ3 LYS 25 3HZ LYS 25 4.394 6.098 -8.671
227 H ALA 26 H ALA 26 3.522 4.730 -1.665
228 HA ALA 26 HA ALA 26 2.657 7.207 -2.916
229 HB1 ALA 26 1HB ALA 26 1.147 5.202 -1.266
230 HB2 ALA 26 2HB ALA 26 1.124 5.331 -3.025
231 HB3 ALA 26 3HB ALA 26 0.442 6.622 -2.033
Start of MODEL 14
1 H HIS 1 H HIS 1 1.656 9.015 -1.570
2 HA HIS 1 HA HIS 1 2.639 9.417 1.156
3 HB2 HIS 1 2HB HIS 1 1.796 11.441 -0.946
4 HB3 HIS 1 1HB HIS 1 2.388 11.836 0.651
5 HD1 HIS 1 1HD HIS 1 4.851 12.333 0.755
6 HD2 HIS 1 2HD HIS 1 3.832 9.982 -2.516
7 HE1 HIS 1 1HE HIS 1 6.936 12.138 -0.642
8 H ASP 2 H ASP 2 -0.135 8.520 -0.146
9 HA ASP 2 HA ASP 2 -1.775 10.072 1.734
10 HB2 ASP 2 2HB ASP 2 -2.696 8.494 -0.670
11 HB3 ASP 2 1HB ASP 2 -3.747 9.309 0.455
12 HA PRO 3 HA PRO 3 -2.173 6.182 3.907
13 HB2 PRO 3 2HB PRO 3 -4.247 6.981 5.531
14 HB3 PRO 3 1HB PRO 3 -2.551 7.337 5.868
15 HG2 PRO 3 2HG PRO 3 -4.655 9.073 4.689
16 HG3 PRO 3 1HG PRO 3 -3.342 9.501 5.793
17 HD2 PRO 3 2HD PRO 3 -3.291 10.004 3.096
18 HD3 PRO 3 1HD PRO 3 -1.823 9.742 4.073
19 H GLU 4 H GLU 4 -4.643 8.000 2.373
20 HA GLU 4 HA GLU 4 -6.697 6.112 2.138
21 HB2 GLU 4 2HB GLU 4 -7.105 8.437 1.698
22 HB3 GLU 4 1HB GLU 4 -5.827 8.511 0.513
23 HG2 GLU 4 2HG GLU 4 -8.273 6.855 0.025
24 HG3 GLU 4 1HG GLU 4 -8.295 8.595 -0.232
25 H LYS 5 H LYS 5 -4.019 6.925 -0.055
26 HA LYS 5 HA LYS 5 -4.499 4.834 -1.886
27 HB2 LYS 5 2HB LYS 5 -2.028 6.444 -1.301
28 HB3 LYS 5 1HB LYS 5 -2.085 5.236 -2.574
29 HG2 LYS 5 2HG LYS 5 -3.901 6.503 -3.648
30 HG3 LYS 5 1HG LYS 5 -3.772 7.729 -2.387
31 HD2 LYS 5 2HD LYS 5 -1.483 8.191 -3.051
32 HD3 LYS 5 1HD LYS 5 -1.550 6.903 -4.253
33 HE2 LYS 5 2HE LYS 5 -1.862 9.092 -5.295
34 HE3 LYS 5 1HE LYS 5 -3.305 8.101 -5.448
35 HZ1 LYS 5 1HZ LYS 5 -4.356 9.342 -3.710
36 HZ2 LYS 5 2HZ LYS 5 -3.737 10.432 -4.828
37 HZ3 LYS 5 3HZ LYS 5 -2.921 10.174 -3.368
38 H ARG 6 H ARG 6 -2.401 5.115 0.924
39 HA ARG 6 HA ARG 6 -1.164 2.635 0.869
40 HB2 ARG 6 2HB ARG 6 -0.539 4.222 2.576
41 HB3 ARG 6 1HB ARG 6 -2.176 4.213 3.234
42 HG2 ARG 6 2HG ARG 6 -1.843 1.749 3.678
43 HG3 ARG 6 1HG ARG 6 -0.138 2.018 3.332
44 HD2 ARG 6 2HD ARG 6 0.104 3.446 5.184
45 HD3 ARG 6 1HD ARG 6 -1.648 3.596 5.389
46 HE ARG 6 HE ARG 6 -0.657 0.922 5.548
47 HH11 ARG 6 1HH1 ARG 6 -1.173 3.840 7.491
48 HH12 ARG 6 2HH1 ARG 6 -1.574 2.991 8.907
49 HH21 ARG 6 1HH2 ARG 6 -1.281 -0.237 7.447
50 HH22 ARG 6 2HH2 ARG 6 -1.637 0.624 8.894
51 H LYS 7 H LYS 7 -4.298 3.524 2.302
52 HA LYS 7 HA LYS 7 -5.039 1.058 3.317
53 HB2 LYS 7 2HB LYS 7 -6.256 3.227 3.732
54 HB3 LYS 7 1HB LYS 7 -6.871 3.077 2.080
55 HG2 LYS 7 2HG LYS 7 -8.039 1.051 2.635
56 HG3 LYS 7 1HG LYS 7 -7.400 1.093 4.274
57 HD2 LYS 7 2HD LYS 7 -8.556 3.270 4.609
58 HD3 LYS 7 1HD LYS 7 -9.253 3.094 3.001
59 HE2 LYS 7 2HE LYS 7 -10.828 2.360 4.734
60 HE3 LYS 7 1HE LYS 7 -10.363 1.039 3.665
61 HZ1 LYS 7 1HZ LYS 7 -8.818 0.259 5.358
62 HZ2 LYS 7 2HZ LYS 7 -10.365 0.323 5.958
63 HZ3 LYS 7 3HZ LYS 7 -9.257 1.512 6.397
64 H GLU 8 H GLU 8 -5.661 2.461 0.153
65 HA GLU 8 HA GLU 8 -7.163 0.399 -0.857
66 HB2 GLU 8 2HB GLU 8 -6.865 2.506 -2.061
67 HB3 GLU 8 1HB GLU 8 -5.175 2.114 -2.353
68 HG2 GLU 8 2HG GLU 8 -5.961 0.091 -3.602
69 HG3 GLU 8 1HG GLU 8 -7.597 0.732 -3.468
70 H CYS 9 H CYS 9 -3.657 0.898 -0.966
71 HA CYS 9 HA CYS 9 -3.042 -1.460 -2.396
72 HB2 CYS 9 2HB CYS 9 -1.303 0.194 -0.570
73 HB3 CYS 9 1HB CYS 9 -0.716 -1.107 -1.596
74 H GLU 10 H GLU 10 -3.276 -0.772 1.028
75 HA GLU 10 HA GLU 10 -2.197 -3.259 1.857
76 HB2 GLU 10 2HB GLU 10 -2.171 -1.159 3.222
77 HB3 GLU 10 1HB GLU 10 -3.905 -1.317 3.434
78 HG2 GLU 10 2HG GLU 10 -3.584 -3.407 4.634
79 HG3 GLU 10 1HG GLU 10 -1.846 -3.301 4.376
80 H LYS 11 H LYS 11 -5.360 -2.231 0.861
81 HA LYS 11 HA LYS 11 -6.558 -4.649 1.932
82 HB2 LYS 11 2HB LYS 11 -7.820 -2.470 1.888
83 HB3 LYS 11 1HB LYS 11 -7.828 -2.570 0.137
84 HG2 LYS 11 2HG LYS 11 -9.956 -3.299 1.079
85 HG3 LYS 11 1HG LYS 11 -9.143 -4.631 0.250
86 HD2 LYS 11 2HD LYS 11 -8.371 -5.514 2.380
87 HD3 LYS 11 1HD LYS 11 -9.080 -4.144 3.234
88 HE2 LYS 11 2HE LYS 11 -10.486 -6.111 3.434
89 HE3 LYS 11 1HE LYS 11 -11.307 -4.866 2.499
90 HZ1 LYS 11 1HZ LYS 11 -11.552 -7.086 1.555
91 HZ2 LYS 11 2HZ LYS 11 -9.894 -7.200 1.308
92 HZ3 LYS 11 3HZ LYS 11 -10.799 -6.037 0.494
93 H LYS 12 H LYS 12 -5.600 -3.302 -1.168
94 HA LYS 12 HA LYS 12 -6.625 -5.410 -2.776
95 HB2 LYS 12 2HB LYS 12 -4.425 -3.423 -3.359
96 HB3 LYS 12 1HB LYS 12 -5.106 -4.532 -4.531
97 HG2 LYS 12 2HG LYS 12 -6.621 -2.358 -3.105
98 HG3 LYS 12 1HG LYS 12 -5.991 -2.259 -4.748
99 HD2 LYS 12 2HD LYS 12 -7.414 -4.148 -5.393
100 HD3 LYS 12 1HD LYS 12 -8.050 -4.224 -3.749
101 HE2 LYS 12 2HE LYS 12 -8.889 -1.939 -3.980
102 HE3 LYS 12 1HE LYS 12 -8.277 -1.880 -5.627
103 HZ1 LYS 12 1HZ LYS 12 -10.618 -2.396 -5.626
104 HZ2 LYS 12 2HZ LYS 12 -10.376 -3.688 -4.580
105 HZ3 LYS 12 3HZ LYS 12 -9.777 -3.765 -6.146
106 H TYR 13 H TYR 13 -3.408 -4.763 -1.456
107 HA TYR 13 HA TYR 13 -2.522 -7.345 -2.480
108 HB2 TYR 13 2HB TYR 13 -0.924 -5.073 -1.280
109 HB3 TYR 13 1HB TYR 13 -0.257 -6.559 -1.934
110 HD1 TYR 13 1HD TYR 13 -1.660 -3.300 -2.705
111 HD2 TYR 13 2HD TYR 13 -0.238 -6.933 -4.361
112 HE1 TYR 13 1HE TYR 13 -1.490 -2.219 -4.899
113 HE2 TYR 13 2HE TYR 13 -0.054 -5.883 -6.555
114 HH TYR 13 HH TYR 13 -1.060 -3.955 -7.758
115 H THR 14 H THR 14 -2.804 -8.962 -1.081
116 HA THR 14 HA THR 14 -2.791 -8.414 1.725
117 HB THR 14 HB THR 14 -3.157 -10.977 1.796
118 HG1 THR 14 1HG THR 14 -2.989 -11.900 -0.056
119 HG21 THR 14 1HG2 THR 14 -5.159 -9.169 0.426
120 HG22 THR 14 2HG2 THR 14 -4.942 -9.340 2.168
121 HG23 THR 14 3HG2 THR 14 -5.537 -10.697 1.215
122 H ASP 15 H ASP 15 -0.601 -9.242 -0.670
123 HA ASP 15 HA ASP 15 1.330 -10.628 0.894
124 HB2 ASP 15 2HB ASP 15 1.431 -10.861 -1.492
125 HB3 ASP 15 1HB ASP 15 1.533 -9.117 -1.710
126 HA PRO 16 HA PRO 16 2.632 -7.127 3.271
127 HB2 PRO 16 2HB PRO 16 5.003 -8.191 4.178
128 HB3 PRO 16 1HB PRO 16 3.423 -8.522 4.892
129 HG2 PRO 16 2HG PRO 16 5.014 -10.159 2.968
130 HG3 PRO 16 1HG PRO 16 4.048 -10.689 4.357
131 HD2 PRO 16 2HD PRO 16 3.166 -10.903 1.827
132 HD3 PRO 16 1HD PRO 16 2.064 -10.564 3.179
133 H LYS 17 H LYS 17 4.805 -8.630 0.932
134 HA LYS 17 HA LYS 17 6.761 -6.577 1.042
135 HB2 LYS 17 2HB LYS 17 6.217 -8.671 -1.045
136 HB3 LYS 17 1HB LYS 17 7.591 -7.574 -1.087
137 HG2 LYS 17 2HG LYS 17 8.422 -8.488 0.991
138 HG3 LYS 17 1HG LYS 17 7.007 -9.531 1.124
139 HD2 LYS 17 2HD LYS 17 8.926 -10.776 0.291
140 HD3 LYS 17 1HD LYS 17 7.660 -10.679 -0.930
141 HE2 LYS 17 2HE LYS 17 8.886 -8.852 -2.039
142 HE3 LYS 17 1HE LYS 17 10.154 -8.968 -0.816
143 HZ1 LYS 17 1HZ LYS 17 10.580 -11.234 -1.567
144 HZ2 LYS 17 2HZ LYS 17 10.766 -10.133 -2.824
145 HZ3 LYS 17 3HZ LYS 17 9.380 -11.089 -2.745
146 H LYS 18 H LYS 18 4.234 -7.299 -1.339
147 HA LYS 18 HA LYS 18 4.667 -4.949 -2.847
148 HB2 LYS 18 2HB LYS 18 2.249 -6.740 -2.628
149 HB3 LYS 18 1HB LYS 18 2.315 -5.369 -3.732
150 HG2 LYS 18 2HG LYS 18 4.228 -6.331 -4.857
151 HG3 LYS 18 1HG LYS 18 4.233 -7.689 -3.727
152 HD2 LYS 18 2HD LYS 18 1.980 -7.006 -5.612
153 HD3 LYS 18 1HD LYS 18 3.245 -8.181 -5.958
154 HE2 LYS 18 2HE LYS 18 2.543 -9.456 -3.956
155 HE3 LYS 18 1HE LYS 18 1.228 -8.308 -3.719
156 HZ1 LYS 18 1HZ LYS 18 0.432 -10.240 -4.865
157 HZ2 LYS 18 2HZ LYS 18 1.616 -10.092 -6.053
158 HZ3 LYS 18 3HZ LYS 18 0.394 -8.940 -5.943
159 H ARG 19 H ARG 19 2.784 -5.581 -0.019
160 HA ARG 19 HA ARG 19 1.293 -3.207 0.148
161 HB2 ARG 19 2HB ARG 19 0.992 -5.177 1.632
162 HB3 ARG 19 1HB ARG 19 2.536 -4.819 2.385
163 HG2 ARG 19 2HG ARG 19 1.561 -2.584 3.032
164 HG3 ARG 19 1HG ARG 19 -0.005 -3.224 2.527
165 HD2 ARG 19 2HD ARG 19 0.231 -3.557 4.896
166 HD3 ARG 19 1HD ARG 19 0.339 -5.126 4.094
167 HE ARG 19 HE ARG 19 2.858 -3.771 4.629
168 HH11 ARG 19 1HH1 ARG 19 0.649 -6.353 5.623
169 HH12 ARG 19 2HH1 ARG 19 1.733 -7.004 6.753
170 HH21 ARG 19 1HH2 ARG 19 4.290 -4.652 6.062
171 HH22 ARG 19 2HH2 ARG 19 3.904 -6.022 7.028
172 H GLU 20 H GLU 20 4.466 -4.079 1.537
173 HA GLU 20 HA GLU 20 5.084 -1.573 2.600
174 HB2 GLU 20 2HB GLU 20 6.990 -3.704 1.639
175 HB3 GLU 20 1HB GLU 20 7.428 -2.342 2.657
176 HG2 GLU 20 2HG GLU 20 5.605 -4.629 3.359
177 HG3 GLU 20 1HG GLU 20 7.219 -4.317 3.990
178 H GLU 21 H GLU 21 5.695 -2.941 -0.583
179 HA GLU 21 HA GLU 21 7.305 -0.887 -1.551
180 HB2 GLU 21 2HB GLU 21 5.461 -2.764 -2.976
181 HB3 GLU 21 1HB GLU 21 6.417 -1.559 -3.830
182 HG2 GLU 21 2HG GLU 21 8.465 -2.561 -2.820
183 HG3 GLU 21 1HG GLU 21 7.449 -3.798 -2.088
184 H CYS 22 H CYS 22 3.756 -1.187 -1.752
185 HA CYS 22 HA CYS 22 3.511 1.290 -3.060
186 HB2 CYS 22 2HB CYS 22 1.624 -0.229 -3.151
187 HB3 CYS 22 1HB CYS 22 1.463 -0.210 -1.395
188 H LYS 23 H LYS 23 3.521 0.335 0.282
189 HA LYS 23 HA LYS 23 2.708 2.558 1.678
190 HB2 LYS 23 2HB LYS 23 3.178 0.375 2.662
191 HB3 LYS 23 1HB LYS 23 4.886 0.583 2.333
192 HG2 LYS 23 2HG LYS 23 4.487 0.943 4.656
193 HG3 LYS 23 1HG LYS 23 4.913 2.480 3.904
194 HD2 LYS 23 2HD LYS 23 2.584 3.138 3.857
195 HD3 LYS 23 1HD LYS 23 2.103 1.568 4.502
196 HE2 LYS 23 2HE LYS 23 3.830 3.608 5.896
197 HE3 LYS 23 1HE LYS 23 2.138 3.266 6.252
198 HZ1 LYS 23 1HZ LYS 23 2.798 0.986 6.872
199 HZ2 LYS 23 2HZ LYS 23 3.543 2.141 7.811
200 HZ3 LYS 23 3HZ LYS 23 4.417 1.375 6.602
201 H ARG 24 H ARG 24 5.906 1.908 0.314
202 HA ARG 24 HA ARG 24 7.133 4.216 1.505
203 HB2 ARG 24 2HB ARG 24 8.048 2.143 -0.422
204 HB3 ARG 24 1HB ARG 24 8.924 3.655 -0.362
205 HG2 ARG 24 2HG ARG 24 9.988 1.940 0.996
206 HG3 ARG 24 1HG ARG 24 9.441 3.284 1.989
207 HD2 ARG 24 2HD ARG 24 7.582 2.003 2.790
208 HD3 ARG 24 1HD ARG 24 7.913 0.712 1.637
209 HE ARG 24 HE ARG 24 10.191 1.073 3.147
210 HH11 ARG 24 1HH1 ARG 24 6.868 0.130 3.819
211 HH12 ARG 24 2HH1 ARG 24 7.243 -1.064 4.982
212 HH21 ARG 24 1HH2 ARG 24 10.754 -0.526 4.759
213 HH22 ARG 24 2HH2 ARG 24 9.538 -1.389 5.577
214 H LYS 25 H LYS 25 5.254 3.774 -1.320
215 HA LYS 25 HA LYS 25 6.468 6.138 -2.531
216 HB2 LYS 25 2HB LYS 25 6.359 4.229 -4.010
217 HB3 LYS 25 1HB LYS 25 4.631 4.066 -3.740
218 HG2 LYS 25 2HG LYS 25 4.239 6.209 -4.840
219 HG3 LYS 25 1HG LYS 25 5.971 6.424 -5.064
220 HD2 LYS 25 2HD LYS 25 4.350 4.161 -6.246
221 HD3 LYS 25 1HD LYS 25 4.787 5.639 -7.101
222 HE2 LYS 25 2HE LYS 25 7.165 5.091 -6.780
223 HE3 LYS 25 1HE LYS 25 6.701 3.601 -5.969
224 HZ1 LYS 25 1HZ LYS 25 6.094 4.277 -8.806
225 HZ2 LYS 25 2HZ LYS 25 5.638 2.862 -8.013
226 HZ3 LYS 25 3HZ LYS 25 7.258 3.195 -8.256
227 H ALA 26 H ALA 26 3.286 4.813 -1.739
228 HA ALA 26 HA ALA 26 1.795 7.066 -2.476
229 HB1 ALA 26 1HB ALA 26 -0.000 6.064 -1.179
230 HB2 ALA 26 2HB ALA 26 1.146 4.962 -0.419
231 HB3 ALA 26 3HB ALA 26 0.826 4.844 -2.149
Start of MODEL 15
1 H HIS 1 H HIS 1 2.627 5.885 -0.166
2 HA HIS 1 HA HIS 1 2.761 6.787 1.965
3 HB2 HIS 1 2HB HIS 1 3.248 9.355 0.456
4 HB3 HIS 1 1HB HIS 1 3.285 9.260 2.209
5 HD1 HIS 1 1HD HIS 1 5.394 8.737 -0.783
6 HD2 HIS 1 2HD HIS 1 5.388 7.609 3.222
7 HE1 HIS 1 1HE HIS 1 7.733 7.988 -0.268
8 H ASP 2 H ASP 2 0.494 8.481 -0.108
9 HA ASP 2 HA ASP 2 -1.012 9.857 1.778
10 HB2 ASP 2 2HB ASP 2 -2.020 8.583 -0.773
11 HB3 ASP 2 1HB ASP 2 -2.926 9.729 0.193
12 HA PRO 3 HA PRO 3 -3.035 6.886 4.316
13 HB2 PRO 3 2HB PRO 3 -5.442 8.612 4.198
14 HB3 PRO 3 1HB PRO 3 -4.508 8.096 5.606
15 HG2 PRO 3 2HG PRO 3 -4.389 10.601 4.693
16 HG3 PRO 3 1HG PRO 3 -2.956 9.792 5.347
17 HD2 PRO 3 2HD PRO 3 -3.699 10.315 2.496
18 HD3 PRO 3 1HD PRO 3 -2.115 10.375 3.296
19 H GLU 4 H GLU 4 -5.129 8.276 1.824
20 HA GLU 4 HA GLU 4 -6.944 6.134 1.689
21 HB2 GLU 4 2HB GLU 4 -6.257 8.239 -0.361
22 HB3 GLU 4 1HB GLU 4 -7.523 7.053 -0.606
23 HG2 GLU 4 2HG GLU 4 -8.498 9.132 0.111
24 HG3 GLU 4 1HG GLU 4 -8.690 7.929 1.379
25 H LYS 5 H LYS 5 -4.040 6.819 -0.112
26 HA LYS 5 HA LYS 5 -4.207 4.620 -1.892
27 HB2 LYS 5 2HB LYS 5 -1.882 6.303 -0.980
28 HB3 LYS 5 1HB LYS 5 -1.755 5.066 -2.221
29 HG2 LYS 5 2HG LYS 5 -3.703 7.334 -2.429
30 HG3 LYS 5 1HG LYS 5 -2.039 7.475 -3.008
31 HD2 LYS 5 2HD LYS 5 -2.384 5.656 -4.551
32 HD3 LYS 5 1HD LYS 5 -3.985 5.335 -3.903
33 HE2 LYS 5 2HE LYS 5 -3.160 7.908 -5.257
34 HE3 LYS 5 1HE LYS 5 -3.990 6.583 -6.062
35 HZ1 LYS 5 1HZ LYS 5 -5.829 6.859 -4.520
36 HZ2 LYS 5 2HZ LYS 5 -5.572 8.274 -5.381
37 HZ3 LYS 5 3HZ LYS 5 -5.074 8.171 -3.781
38 H ARG 6 H ARG 6 -2.652 5.083 1.239
39 HA ARG 6 HA ARG 6 -1.393 2.592 1.446
40 HB2 ARG 6 2HB ARG 6 -2.517 4.436 3.544
41 HB3 ARG 6 1HB ARG 6 -1.690 2.940 3.948
42 HG2 ARG 6 2HG ARG 6 0.350 3.737 2.975
43 HG3 ARG 6 1HG ARG 6 -0.463 5.172 2.349
44 HD2 ARG 6 2HD ARG 6 0.846 5.618 4.397
45 HD3 ARG 6 1HD ARG 6 -0.867 5.981 4.579
46 HE ARG 6 HE ARG 6 -0.506 3.389 5.464
47 HH11 ARG 6 1HH1 ARG 6 0.684 6.602 6.467
48 HH12 ARG 6 2HH1 ARG 6 0.722 6.206 8.114
49 HH21 ARG 6 1HH2 ARG 6 -0.411 2.891 7.758
50 HH22 ARG 6 2HH2 ARG 6 0.112 4.100 8.843
51 H LYS 7 H LYS 7 -4.646 3.614 2.396
52 HA LYS 7 HA LYS 7 -5.529 1.153 3.433
53 HB2 LYS 7 2HB LYS 7 -6.775 3.327 3.687
54 HB3 LYS 7 1HB LYS 7 -7.171 3.187 1.967
55 HG2 LYS 7 2HG LYS 7 -8.427 1.190 2.333
56 HG3 LYS 7 1HG LYS 7 -7.972 1.166 4.033
57 HD2 LYS 7 2HD LYS 7 -9.197 3.249 4.395
58 HD3 LYS 7 1HD LYS 7 -9.626 3.299 2.682
59 HE2 LYS 7 2HE LYS 7 -11.466 2.403 4.046
60 HE3 LYS 7 1HE LYS 7 -10.857 1.211 2.902
61 HZ1 LYS 7 1HZ LYS 7 -10.194 1.343 5.794
62 HZ2 LYS 7 2HZ LYS 7 -9.577 0.202 4.734
63 HZ3 LYS 7 3HZ LYS 7 -11.215 0.216 5.087
64 H GLU 8 H GLU 8 -5.671 2.518 0.198
65 HA GLU 8 HA GLU 8 -7.124 0.522 -1.005
66 HB2 GLU 8 2HB GLU 8 -6.829 2.592 -2.138
67 HB3 GLU 8 1HB GLU 8 -5.082 2.433 -2.115
68 HG2 GLU 8 2HG GLU 8 -5.184 0.633 -3.710
69 HG3 GLU 8 1HG GLU 8 -6.944 0.655 -3.670
70 H CYS 9 H CYS 9 -3.644 0.862 -0.579
71 HA CYS 9 HA CYS 9 -3.088 -1.561 -1.955
72 HB2 CYS 9 2HB CYS 9 -1.354 0.130 -0.181
73 HB3 CYS 9 1HB CYS 9 -0.781 -1.278 -1.074
74 H GLU 10 H GLU 10 -3.694 -0.754 1.375
75 HA GLU 10 HA GLU 10 -2.869 -3.176 2.573
76 HB2 GLU 10 2HB GLU 10 -3.401 -1.113 3.822
77 HB3 GLU 10 1HB GLU 10 -5.075 -1.237 3.323
78 HG2 GLU 10 2HG GLU 10 -5.299 -3.300 4.623
79 HG3 GLU 10 1HG GLU 10 -3.616 -3.154 5.126
80 H LYS 11 H LYS 11 -5.727 -2.146 0.952
81 HA LYS 11 HA LYS 11 -7.365 -4.450 1.429
82 HB2 LYS 11 2HB LYS 11 -8.363 -2.305 1.094
83 HB3 LYS 11 1HB LYS 11 -7.503 -2.078 -0.411
84 HG2 LYS 11 2HG LYS 11 -8.861 -3.903 -1.399
85 HG3 LYS 11 1HG LYS 11 -9.776 -3.980 0.114
86 HD2 LYS 11 2HD LYS 11 -10.484 -1.703 -0.122
87 HD3 LYS 11 1HD LYS 11 -9.427 -1.480 -1.509
88 HE2 LYS 11 2HE LYS 11 -10.762 -3.127 -2.761
89 HE3 LYS 11 1HE LYS 11 -11.830 -3.293 -1.367
90 HZ1 LYS 11 1HZ LYS 11 -12.718 -1.763 -3.042
91 HZ2 LYS 11 2HZ LYS 11 -11.383 -0.748 -2.853
92 HZ3 LYS 11 3HZ LYS 11 -12.442 -0.987 -1.580
93 H LYS 12 H LYS 12 -5.689 -3.135 -1.418
94 HA LYS 12 HA LYS 12 -6.371 -5.281 -3.132
95 HB2 LYS 12 2HB LYS 12 -5.913 -3.033 -3.975
96 HB3 LYS 12 1HB LYS 12 -4.256 -3.143 -3.418
97 HG2 LYS 12 2HG LYS 12 -4.355 -3.467 -5.815
98 HG3 LYS 12 1HG LYS 12 -3.850 -4.963 -5.031
99 HD2 LYS 12 2HD LYS 12 -6.119 -5.839 -5.224
100 HD3 LYS 12 1HD LYS 12 -6.648 -4.332 -5.977
101 HE2 LYS 12 2HE LYS 12 -6.278 -6.045 -7.664
102 HE3 LYS 12 1HE LYS 12 -5.104 -4.745 -7.844
103 HZ1 LYS 12 1HZ LYS 12 -4.098 -6.919 -8.076
104 HZ2 LYS 12 2HZ LYS 12 -4.569 -7.365 -6.523
105 HZ3 LYS 12 3HZ LYS 12 -3.454 -6.117 -6.758
106 H TYR 13 H TYR 13 -3.442 -4.542 -1.250
107 HA TYR 13 HA TYR 13 -2.285 -6.984 -2.317
108 HB2 TYR 13 2HB TYR 13 -0.888 -4.579 -1.144
109 HB3 TYR 13 1HB TYR 13 -0.093 -6.049 -1.681
110 HD1 TYR 13 1HD TYR 13 -0.238 -6.652 -4.152
111 HD2 TYR 13 2HD TYR 13 -1.362 -2.842 -2.641
112 HE1 TYR 13 1HE TYR 13 -0.023 -5.714 -6.390
113 HE2 TYR 13 2HE TYR 13 -1.154 -1.884 -4.888
114 HH TYR 13 HH TYR 13 0.056 -2.412 -7.016
115 H THR 14 H THR 14 -2.613 -8.594 -0.933
116 HA THR 14 HA THR 14 -2.419 -8.082 1.886
117 HB THR 14 HB THR 14 -2.653 -10.736 1.780
118 HG1 THR 14 1HG THR 14 -4.221 -10.980 -0.072
119 HG21 THR 14 1HG2 THR 14 -5.126 -10.419 1.840
120 HG22 THR 14 2HG2 THR 14 -4.879 -8.741 1.327
121 HG23 THR 14 3HG2 THR 14 -4.249 -9.294 2.871
122 H ASP 15 H ASP 15 -0.452 -8.863 -0.706
123 HA ASP 15 HA ASP 15 1.539 -10.370 0.652
124 HB2 ASP 15 2HB ASP 15 1.470 -10.398 -1.792
125 HB3 ASP 15 1HB ASP 15 1.786 -8.666 -1.843
126 HA PRO 16 HA PRO 16 2.984 -7.140 3.351
127 HB2 PRO 16 2HB PRO 16 5.419 -8.837 3.307
128 HB3 PRO 16 1HB PRO 16 4.520 -8.198 4.686
129 HG2 PRO 16 2HG PRO 16 4.299 -10.754 4.004
130 HG3 PRO 16 1HG PRO 16 2.886 -9.826 4.538
131 HD2 PRO 16 2HD PRO 16 3.644 -10.690 1.795
132 HD3 PRO 16 1HD PRO 16 2.048 -10.544 2.559
133 H LYS 17 H LYS 17 5.071 -8.360 0.716
134 HA LYS 17 HA LYS 17 6.864 -6.154 0.991
135 HB2 LYS 17 2HB LYS 17 7.517 -8.438 0.104
136 HB3 LYS 17 1HB LYS 17 6.654 -8.027 -1.368
137 HG2 LYS 17 2HG LYS 17 9.007 -7.654 -1.683
138 HG3 LYS 17 1HG LYS 17 8.169 -6.100 -1.672
139 HD2 LYS 17 2HD LYS 17 8.833 -5.733 0.648
140 HD3 LYS 17 1HD LYS 17 9.611 -7.316 0.689
141 HE2 LYS 17 2HE LYS 17 11.191 -6.571 -1.026
142 HE3 LYS 17 1HE LYS 17 10.386 -5.002 -1.078
143 HZ1 LYS 17 1HZ LYS 17 12.377 -4.939 0.307
144 HZ2 LYS 17 2HZ LYS 17 11.740 -6.154 1.295
145 HZ3 LYS 17 3HZ LYS 17 10.983 -4.658 1.226
146 H LYS 18 H LYS 18 4.299 -7.049 -1.245
147 HA LYS 18 HA LYS 18 4.484 -4.752 -2.891
148 HB2 LYS 18 2HB LYS 18 2.218 -6.637 -2.309
149 HB3 LYS 18 1HB LYS 18 2.038 -5.288 -3.421
150 HG2 LYS 18 2HG LYS 18 4.195 -7.338 -3.706
151 HG3 LYS 18 1HG LYS 18 2.603 -7.515 -4.458
152 HD2 LYS 18 2HD LYS 18 2.908 -5.554 -5.749
153 HD3 LYS 18 1HD LYS 18 4.348 -5.088 -4.851
154 HE2 LYS 18 2HE LYS 18 4.128 -7.572 -6.534
155 HE3 LYS 18 1HE LYS 18 4.797 -6.046 -7.109
156 HZ1 LYS 18 1HZ LYS 18 6.426 -6.199 -5.266
157 HZ2 LYS 18 2HZ LYS 18 6.589 -7.398 -6.416
158 HZ3 LYS 18 3HZ LYS 18 5.883 -7.762 -4.925
159 H ARG 19 H ARG 19 2.819 -5.357 0.054
160 HA ARG 19 HA ARG 19 1.342 -2.967 0.280
161 HB2 ARG 19 2HB ARG 19 1.042 -5.022 1.631
162 HB3 ARG 19 1HB ARG 19 2.578 -4.708 2.409
163 HG2 ARG 19 2HG ARG 19 1.653 -2.649 3.362
164 HG3 ARG 19 1HG ARG 19 0.097 -3.021 2.603
165 HD2 ARG 19 2HD ARG 19 0.082 -5.184 3.771
166 HD3 ARG 19 1HD ARG 19 1.562 -4.726 4.603
167 HE ARG 19 HE ARG 19 0.034 -2.740 5.318
168 HH11 ARG 19 1HH1 ARG 19 -0.647 -6.197 5.182
169 HH12 ARG 19 2HH1 ARG 19 -1.931 -6.138 6.301
170 HH21 ARG 19 1HH2 ARG 19 -1.733 -2.681 6.915
171 HH22 ARG 19 2HH2 ARG 19 -2.551 -4.111 7.301
172 H GLU 20 H GLU 20 4.517 -3.961 1.482
173 HA GLU 20 HA GLU 20 5.411 -1.626 2.703
174 HB2 GLU 20 2HB GLU 20 6.427 -3.874 2.870
175 HB3 GLU 20 1HB GLU 20 6.969 -3.735 1.211
176 HG2 GLU 20 2HG GLU 20 8.360 -1.807 1.881
177 HG3 GLU 20 1HG GLU 20 7.877 -2.093 3.555
178 H GLU 21 H GLU 21 5.915 -2.815 -0.605
179 HA GLU 21 HA GLU 21 7.380 -0.720 -1.667
180 HB2 GLU 21 2HB GLU 21 5.362 -2.528 -2.958
181 HB3 GLU 21 1HB GLU 21 6.304 -1.361 -3.868
182 HG2 GLU 21 2HG GLU 21 8.360 -2.489 -3.118
183 HG3 GLU 21 1HG GLU 21 7.379 -3.667 -2.246
184 H CYS 22 H CYS 22 3.865 -1.115 -1.566
185 HA CYS 22 HA CYS 22 3.350 1.320 -2.865
186 HB2 CYS 22 2HB CYS 22 1.626 -0.366 -2.809
187 HB3 CYS 22 1HB CYS 22 1.559 -0.291 -1.049
188 H LYS 23 H LYS 23 3.719 0.458 0.514
189 HA LYS 23 HA LYS 23 2.761 2.802 1.699
190 HB2 LYS 23 2HB LYS 23 3.247 0.648 2.857
191 HB3 LYS 23 1HB LYS 23 4.961 0.974 2.674
192 HG2 LYS 23 2HG LYS 23 4.752 2.941 4.083
193 HG3 LYS 23 1HG LYS 23 3.017 2.655 4.232
194 HD2 LYS 23 2HD LYS 23 3.520 0.442 5.235
195 HD3 LYS 23 1HD LYS 23 5.234 0.850 5.187
196 HE2 LYS 23 2HE LYS 23 4.282 1.271 7.399
197 HE3 LYS 23 1HE LYS 23 4.835 2.761 6.635
198 HZ1 LYS 23 1HZ LYS 23 2.670 2.988 7.716
199 HZ2 LYS 23 2HZ LYS 23 1.996 1.852 6.661
200 HZ3 LYS 23 3HZ LYS 23 2.606 3.315 6.073
201 H ARG 24 H ARG 24 5.883 1.940 0.410
202 HA ARG 24 HA ARG 24 7.123 4.465 1.139
203 HB2 ARG 24 2HB ARG 24 8.088 2.166 -0.547
204 HB3 ARG 24 1HB ARG 24 9.062 3.554 -0.112
205 HG2 ARG 24 2HG ARG 24 8.901 2.922 2.244
206 HG3 ARG 24 1HG ARG 24 7.903 1.534 1.797
207 HD2 ARG 24 2HD ARG 24 10.219 0.843 2.101
208 HD3 ARG 24 1HD ARG 24 9.727 0.669 0.420
209 HE ARG 24 HE ARG 24 11.153 3.074 1.275
210 HH11 ARG 24 1HH1 ARG 24 11.142 0.090 -0.664
211 HH12 ARG 24 2HH1 ARG 24 12.479 0.507 -1.601
212 HH21 ARG 24 1HH2 ARG 24 13.053 3.638 -0.031
213 HH22 ARG 24 2HH2 ARG 24 13.604 2.561 -1.228
214 H LYS 25 H LYS 25 5.063 3.497 -1.270
215 HA LYS 25 HA LYS 25 6.349 5.083 -3.374
216 HB2 LYS 25 2HB LYS 25 5.638 2.801 -3.954
217 HB3 LYS 25 1HB LYS 25 3.996 3.208 -3.498
218 HG2 LYS 25 2HG LYS 25 3.901 4.842 -5.324
219 HG3 LYS 25 1HG LYS 25 5.543 4.389 -5.794
220 HD2 LYS 25 2HD LYS 25 4.802 2.088 -6.168
221 HD3 LYS 25 1HD LYS 25 3.170 2.530 -5.689
222 HE2 LYS 25 2HE LYS 25 3.352 2.432 -8.114
223 HE3 LYS 25 1HE LYS 25 3.023 4.075 -7.580
224 HZ1 LYS 25 1HZ LYS 25 5.389 4.596 -7.895
225 HZ2 LYS 25 2HZ LYS 25 4.729 3.983 -9.316
226 HZ3 LYS 25 3HZ LYS 25 5.688 3.012 -8.374
227 H ALA 26 H ALA 26 3.149 4.646 -1.931
228 HA ALA 26 HA ALA 26 2.329 7.095 -3.244
229 HB1 ALA 26 1HB ALA 26 0.073 6.484 -2.720
230 HB2 ALA 26 2HB ALA 26 0.646 5.173 -1.688
231 HB3 ALA 26 3HB ALA 26 0.918 5.108 -3.429
Start of MODEL 16
1 H HIS 1 H HIS 1 1.313 8.439 -2.096
2 HA HIS 1 HA HIS 1 2.211 8.913 0.655
3 HB2 HIS 1 2HB HIS 1 2.277 10.751 -1.751
4 HB3 HIS 1 1HB HIS 1 2.699 11.248 -0.116
5 HD1 HIS 1 1HD HIS 1 5.137 10.996 0.476
6 HD2 HIS 1 2HD HIS 1 4.017 8.604 -2.727
7 HE1 HIS 1 1HE HIS 1 7.256 9.943 -0.379
8 H ASP 2 H ASP 2 -0.446 8.460 -0.924
9 HA ASP 2 HA ASP 2 -2.133 10.642 -0.103
10 HB2 ASP 2 2HB ASP 2 -2.790 7.793 -0.935
11 HB3 ASP 2 1HB ASP 2 -3.992 9.033 -0.634
12 HA PRO 3 HA PRO 3 -2.877 9.218 4.126
13 HB2 PRO 3 2HB PRO 3 -5.587 9.711 4.341
14 HB3 PRO 3 1HB PRO 3 -4.351 10.960 4.522
15 HG2 PRO 3 2HG PRO 3 -6.022 10.277 2.131
16 HG3 PRO 3 1HG PRO 3 -5.586 11.873 2.770
17 HD2 PRO 3 2HD PRO 3 -4.337 10.838 0.641
18 HD3 PRO 3 1HD PRO 3 -3.456 11.794 1.850
19 H GLU 4 H GLU 4 -4.489 8.124 1.407
20 HA GLU 4 HA GLU 4 -5.926 5.853 2.472
21 HB2 GLU 4 2HB GLU 4 -5.246 6.615 -0.365
22 HB3 GLU 4 1HB GLU 4 -6.409 5.403 0.132
23 HG2 GLU 4 2HG GLU 4 -6.630 8.333 0.751
24 HG3 GLU 4 1HG GLU 4 -7.395 7.538 -0.620
25 H LYS 5 H LYS 5 -2.693 6.406 2.045
26 HA LYS 5 HA LYS 5 -1.677 4.597 0.296
27 HB2 LYS 5 2HB LYS 5 0.437 4.573 1.586
28 HB3 LYS 5 1HB LYS 5 -0.203 6.171 1.271
29 HG2 LYS 5 2HG LYS 5 -0.968 6.340 3.572
30 HG3 LYS 5 1HG LYS 5 -0.416 4.691 3.890
31 HD2 LYS 5 2HD LYS 5 1.878 5.368 3.326
32 HD3 LYS 5 1HD LYS 5 1.313 7.015 3.058
33 HE2 LYS 5 2HE LYS 5 0.657 7.200 5.376
34 HE3 LYS 5 1HE LYS 5 1.094 5.518 5.660
35 HZ1 LYS 5 1HZ LYS 5 2.956 7.691 4.880
36 HZ2 LYS 5 2HZ LYS 5 3.400 6.089 5.121
37 HZ3 LYS 5 3HZ LYS 5 2.824 7.012 6.415
38 H ARG 6 H ARG 6 -2.069 3.686 3.763
39 HA ARG 6 HA ARG 6 -1.208 1.025 3.199
40 HB2 ARG 6 2HB ARG 6 -1.006 1.780 5.500
41 HB3 ARG 6 1HB ARG 6 -2.738 2.106 5.583
42 HG2 ARG 6 2HG ARG 6 -3.146 -0.319 5.166
43 HG3 ARG 6 1HG ARG 6 -1.416 -0.582 5.308
44 HD2 ARG 6 2HD ARG 6 -1.426 -0.012 7.590
45 HD3 ARG 6 1HD ARG 6 -3.040 0.704 7.482
46 HE ARG 6 HE ARG 6 -3.007 -2.046 6.716
47 HH11 ARG 6 1HH1 ARG 6 -3.025 -0.015 9.592
48 HH12 ARG 6 2HH1 ARG 6 -3.986 -1.073 10.506
49 HH21 ARG 6 1HH2 ARG 6 -4.353 -3.431 7.861
50 HH22 ARG 6 2HH2 ARG 6 -4.789 -3.117 9.487
51 H LYS 7 H LYS 7 -4.214 2.630 3.534
52 HA LYS 7 HA LYS 7 -6.036 0.559 3.561
53 HB2 LYS 7 2HB LYS 7 -6.455 3.005 3.921
54 HB3 LYS 7 1HB LYS 7 -6.264 3.176 2.182
55 HG2 LYS 7 2HG LYS 7 -8.230 1.844 1.793
56 HG3 LYS 7 1HG LYS 7 -8.438 1.629 3.540
57 HD2 LYS 7 2HD LYS 7 -8.673 3.974 3.872
58 HD3 LYS 7 1HD LYS 7 -8.281 4.306 2.192
59 HE2 LYS 7 2HE LYS 7 -10.341 3.043 1.562
60 HE3 LYS 7 1HE LYS 7 -10.734 2.962 3.281
61 HZ1 LYS 7 1HZ LYS 7 -11.786 4.853 2.143
62 HZ2 LYS 7 2HZ LYS 7 -10.245 5.476 1.804
63 HZ3 LYS 7 3HZ LYS 7 -10.771 5.334 3.394
64 H GLU 8 H GLU 8 -4.993 2.436 0.765
65 HA GLU 8 HA GLU 8 -6.377 0.889 -1.084
66 HB2 GLU 8 2HB GLU 8 -5.700 3.182 -1.552
67 HB3 GLU 8 1HB GLU 8 -4.008 2.719 -1.478
68 HG2 GLU 8 2HG GLU 8 -4.318 1.281 -3.433
69 HG3 GLU 8 1HG GLU 8 -6.006 1.765 -3.513
70 H CYS 9 H CYS 9 -3.069 0.831 0.142
71 HA CYS 9 HA CYS 9 -2.277 -1.046 -1.860
72 HB2 CYS 9 2HB CYS 9 -0.780 -0.055 0.556
73 HB3 CYS 9 1HB CYS 9 -0.105 -1.147 -0.652
74 H GLU 10 H GLU 10 -3.529 -1.327 1.333
75 HA GLU 10 HA GLU 10 -2.823 -4.125 1.527
76 HB2 GLU 10 2HB GLU 10 -2.957 -2.584 3.507
77 HB3 GLU 10 1HB GLU 10 -4.682 -2.463 3.233
78 HG2 GLU 10 2HG GLU 10 -5.012 -4.745 3.792
79 HG3 GLU 10 1HG GLU 10 -3.275 -5.050 3.826
80 H LYS 11 H LYS 11 -5.428 -2.142 0.466
81 HA LYS 11 HA LYS 11 -7.480 -4.085 0.368
82 HB2 LYS 11 2HB LYS 11 -7.864 -1.663 0.255
83 HB3 LYS 11 1HB LYS 11 -7.005 -1.594 -1.268
84 HG2 LYS 11 2HG LYS 11 -8.757 -2.984 -2.287
85 HG3 LYS 11 1HG LYS 11 -9.629 -2.964 -0.749
86 HD2 LYS 11 2HD LYS 11 -9.745 -0.533 -0.831
87 HD3 LYS 11 1HD LYS 11 -8.856 -0.534 -2.352
88 HE2 LYS 11 2HE LYS 11 -10.679 -1.805 -3.397
89 HE3 LYS 11 1HE LYS 11 -11.548 -1.773 -1.862
90 HZ1 LYS 11 1HZ LYS 11 -10.757 0.627 -3.401
91 HZ2 LYS 11 2HZ LYS 11 -11.665 0.612 -1.990
92 HZ3 LYS 11 3HZ LYS 11 -12.293 -0.056 -3.405
93 H LYS 12 H LYS 12 -5.034 -2.958 -1.909
94 HA LYS 12 HA LYS 12 -5.879 -4.906 -3.872
95 HB2 LYS 12 2HB LYS 12 -5.166 -2.661 -4.575
96 HB3 LYS 12 1HB LYS 12 -3.562 -2.971 -3.934
97 HG2 LYS 12 2HG LYS 12 -3.568 -3.225 -6.347
98 HG3 LYS 12 1HG LYS 12 -3.264 -4.780 -5.574
99 HD2 LYS 12 2HD LYS 12 -5.584 -5.429 -5.911
100 HD3 LYS 12 1HD LYS 12 -5.947 -3.855 -6.619
101 HE2 LYS 12 2HE LYS 12 -5.664 -5.501 -8.370
102 HE3 LYS 12 1HE LYS 12 -4.341 -4.342 -8.429
103 HZ1 LYS 12 1HZ LYS 12 -3.575 -6.590 -8.723
104 HZ2 LYS 12 2HZ LYS 12 -4.190 -7.063 -7.230
105 HZ3 LYS 12 3HZ LYS 12 -2.921 -5.955 -7.317
106 H TYR 13 H TYR 13 -3.010 -4.356 -1.795
107 HA TYR 13 HA TYR 13 -2.004 -6.952 -2.682
108 HB2 TYR 13 2HB TYR 13 -0.470 -4.722 -1.334
109 HB3 TYR 13 1HB TYR 13 0.195 -6.196 -2.019
110 HD1 TYR 13 1HD TYR 13 0.378 -6.434 -4.469
111 HD2 TYR 13 2HD TYR 13 -1.036 -2.849 -2.699
112 HE1 TYR 13 1HE TYR 13 0.766 -5.256 -6.573
113 HE2 TYR 13 2HE TYR 13 -0.667 -1.646 -4.802
114 HH TYR 13 HH TYR 13 -0.165 -3.168 -7.708
115 H THR 14 H THR 14 -2.435 -8.493 -1.250
116 HA THR 14 HA THR 14 -2.554 -7.769 1.548
117 HB THR 14 HB THR 14 -3.295 -10.196 1.837
118 HG1 THR 14 1HG THR 14 -2.453 -10.977 -0.145
119 HG21 THR 14 1HG2 THR 14 -4.952 -8.471 -0.016
120 HG22 THR 14 2HG2 THR 14 -4.856 -8.273 1.727
121 HG23 THR 14 3HG2 THR 14 -5.569 -9.735 1.052
122 H ASP 15 H ASP 15 -0.438 -8.835 -0.726
123 HA ASP 15 HA ASP 15 1.348 -10.383 0.872
124 HB2 ASP 15 2HB ASP 15 1.405 -10.521 -1.564
125 HB3 ASP 15 1HB ASP 15 1.790 -8.806 -1.675
126 HA PRO 16 HA PRO 16 2.587 -6.898 3.329
127 HB2 PRO 16 2HB PRO 16 4.824 -8.007 4.450
128 HB3 PRO 16 1HB PRO 16 3.169 -8.334 4.979
129 HG2 PRO 16 2HG PRO 16 4.922 -9.932 3.168
130 HG3 PRO 16 1HG PRO 16 3.882 -10.495 4.490
131 HD2 PRO 16 2HD PRO 16 3.128 -10.689 1.930
132 HD3 PRO 16 1HD PRO 16 1.952 -10.307 3.207
133 H LYS 17 H LYS 17 4.871 -8.456 1.140
134 HA LYS 17 HA LYS 17 6.841 -6.412 1.395
135 HB2 LYS 17 2HB LYS 17 7.413 -8.722 0.700
136 HB3 LYS 17 1HB LYS 17 6.462 -8.504 -0.757
137 HG2 LYS 17 2HG LYS 17 7.997 -6.761 -1.510
138 HG3 LYS 17 1HG LYS 17 8.943 -6.954 -0.034
139 HD2 LYS 17 2HD LYS 17 9.411 -9.287 -0.652
140 HD3 LYS 17 1HD LYS 17 8.479 -9.076 -2.134
141 HE2 LYS 17 2HE LYS 17 10.950 -7.510 -1.396
142 HE3 LYS 17 1HE LYS 17 10.912 -8.889 -2.494
143 HZ1 LYS 17 1HZ LYS 17 10.889 -6.765 -3.671
144 HZ2 LYS 17 2HZ LYS 17 9.464 -6.312 -2.914
145 HZ3 LYS 17 3HZ LYS 17 9.473 -7.617 -3.967
146 H LYS 18 H LYS 18 4.504 -7.323 -1.101
147 HA LYS 18 HA LYS 18 4.899 -5.088 -2.770
148 HB2 LYS 18 2HB LYS 18 2.419 -6.758 -2.379
149 HB3 LYS 18 1HB LYS 18 2.643 -5.597 -3.675
150 HG2 LYS 18 2HG LYS 18 4.492 -6.904 -4.540
151 HG3 LYS 18 1HG LYS 18 4.293 -8.066 -3.219
152 HD2 LYS 18 2HD LYS 18 2.005 -8.523 -4.019
153 HD3 LYS 18 1HD LYS 18 2.273 -7.404 -5.359
154 HE2 LYS 18 2HE LYS 18 4.141 -8.794 -6.121
155 HE3 LYS 18 1HE LYS 18 3.827 -9.915 -4.801
156 HZ1 LYS 18 1HZ LYS 18 1.923 -9.280 -6.996
157 HZ2 LYS 18 2HZ LYS 18 1.632 -10.332 -5.734
158 HZ3 LYS 18 3HZ LYS 18 2.838 -10.690 -6.860
159 H ARG 19 H ARG 19 2.680 -5.663 -0.109
160 HA ARG 19 HA ARG 19 1.232 -3.295 -0.282
161 HB2 ARG 19 2HB ARG 19 0.446 -5.116 1.077
162 HB3 ARG 19 1HB ARG 19 1.853 -5.006 2.119
163 HG2 ARG 19 2HG ARG 19 1.119 -2.933 3.021
164 HG3 ARG 19 1HG ARG 19 -0.165 -2.805 1.821
165 HD2 ARG 19 2HD ARG 19 -1.051 -3.516 3.966
166 HD3 ARG 19 1HD ARG 19 -1.247 -4.761 2.741
167 HE ARG 19 HE ARG 19 1.003 -4.918 4.595
168 HH11 ARG 19 1HH1 ARG 19 -2.049 -6.258 3.362
169 HH12 ARG 19 2HH1 ARG 19 -2.056 -7.592 4.422
170 HH21 ARG 19 1HH2 ARG 19 0.988 -6.841 6.021
171 HH22 ARG 19 2HH2 ARG 19 -0.309 -7.939 5.931
172 H GLU 20 H GLU 20 4.221 -3.962 1.536
173 HA GLU 20 HA GLU 20 4.263 -1.363 2.678
174 HB2 GLU 20 2HB GLU 20 5.441 -3.277 3.693
175 HB3 GLU 20 1HB GLU 20 6.563 -3.286 2.337
176 HG2 GLU 20 2HG GLU 20 7.319 -1.057 2.926
177 HG3 GLU 20 1HG GLU 20 6.163 -1.004 4.251
178 H GLU 21 H GLU 21 5.820 -2.822 -0.133
179 HA GLU 21 HA GLU 21 7.338 -0.574 -0.854
180 HB2 GLU 21 2HB GLU 21 6.215 -2.829 -2.474
181 HB3 GLU 21 1HB GLU 21 7.195 -1.554 -3.184
182 HG2 GLU 21 2HG GLU 21 9.033 -2.179 -1.618
183 HG3 GLU 21 1HG GLU 21 8.018 -3.468 -0.980
184 H CYS 22 H CYS 22 4.075 -1.550 -1.640
185 HA CYS 22 HA CYS 22 3.570 0.511 -3.390
186 HB2 CYS 22 2HB CYS 22 2.139 -1.431 -3.336
187 HB3 CYS 22 1HB CYS 22 1.698 -1.117 -1.666
188 H LYS 23 H LYS 23 3.029 0.170 0.115
189 HA LYS 23 HA LYS 23 1.704 2.624 0.559
190 HB2 LYS 23 2HB LYS 23 1.661 0.653 2.077
191 HB3 LYS 23 1HB LYS 23 3.342 0.949 2.474
192 HG2 LYS 23 2HG LYS 23 2.722 3.091 3.487
193 HG3 LYS 23 1HG LYS 23 1.035 2.796 3.073
194 HD2 LYS 23 2HD LYS 23 1.370 2.224 5.389
195 HD3 LYS 23 1HD LYS 23 1.094 0.748 4.473
196 HE2 LYS 23 2HE LYS 23 2.878 0.395 6.072
197 HE3 LYS 23 1HE LYS 23 3.538 0.341 4.444
198 HZ1 LYS 23 1HZ LYS 23 4.399 2.561 4.722
199 HZ2 LYS 23 2HZ LYS 23 4.914 1.602 6.005
200 HZ3 LYS 23 3HZ LYS 23 3.658 2.706 6.234
201 H ARG 24 H ARG 24 4.928 1.912 -0.065
202 HA ARG 24 HA ARG 24 6.066 4.266 1.184
203 HB2 ARG 24 2HB ARG 24 7.249 2.065 1.004
204 HB3 ARG 24 1HB ARG 24 7.278 2.272 -0.732
205 HG2 ARG 24 2HG ARG 24 8.690 4.247 -0.473
206 HG3 ARG 24 1HG ARG 24 8.653 4.035 1.282
207 HD2 ARG 24 2HD ARG 24 9.619 1.784 0.998
208 HD3 ARG 24 1HD ARG 24 9.735 2.071 -0.731
209 HE ARG 24 HE ARG 24 11.029 4.130 0.651
210 HH11 ARG 24 1HH1 ARG 24 11.473 0.692 -0.175
211 HH12 ARG 24 2HH1 ARG 24 13.157 0.741 -0.059
212 HH21 ARG 24 1HH2 ARG 24 13.362 4.198 0.736
213 HH22 ARG 24 2HH2 ARG 24 14.260 2.787 0.450
214 H LYS 25 H LYS 25 4.769 3.248 -1.842
215 HA LYS 25 HA LYS 25 5.867 5.519 -3.297
216 HB2 LYS 25 2HB LYS 25 5.925 3.316 -4.356
217 HB3 LYS 25 1HB LYS 25 4.193 3.152 -4.172
218 HG2 LYS 25 2HG LYS 25 3.877 5.043 -5.716
219 HG3 LYS 25 1HG LYS 25 5.629 5.153 -5.899
220 HD2 LYS 25 2HD LYS 25 5.681 2.869 -6.766
221 HD3 LYS 25 1HD LYS 25 3.931 2.766 -6.599
222 HE2 LYS 25 2HE LYS 25 4.564 3.263 -8.903
223 HE3 LYS 25 1HE LYS 25 3.657 4.593 -8.193
224 HZ1 LYS 25 1HZ LYS 25 5.729 5.785 -7.840
225 HZ2 LYS 25 2HZ LYS 25 5.583 5.362 -9.456
226 HZ3 LYS 25 3HZ LYS 25 6.618 4.488 -8.461
227 H ALA 26 H ALA 26 3.082 4.480 -1.658
228 HA ALA 26 HA ALA 26 1.383 6.490 -2.861
229 HB1 ALA 26 1HB ALA 26 0.796 4.494 -0.674
230 HB2 ALA 26 2HB ALA 26 0.440 4.269 -2.383
231 HB3 ALA 26 3HB ALA 26 -0.383 5.536 -1.470
Start of MODEL 17
1 H HIS 1 H HIS 1 1.547 8.645 -1.342
2 HA HIS 1 HA HIS 1 2.808 9.260 1.234
3 HB2 HIS 1 2HB HIS 1 2.069 11.041 -1.112
4 HB3 HIS 1 1HB HIS 1 2.584 11.673 0.443
5 HD1 HIS 1 1HD HIS 1 5.043 12.136 0.601
6 HD2 HIS 1 2HD HIS 1 4.157 9.304 -2.309
7 HE1 HIS 1 1HE HIS 1 7.234 11.598 -0.535
8 H ASP 2 H ASP 2 -0.085 8.664 -0.253
9 HA ASP 2 HA ASP 2 -1.676 10.330 1.556
10 HB2 ASP 2 2HB ASP 2 -2.589 8.597 -0.743
11 HB3 ASP 2 1HB ASP 2 -3.606 9.647 0.210
12 HA PRO 3 HA PRO 3 -2.394 6.660 4.030
13 HB2 PRO 3 2HB PRO 3 -4.590 7.614 5.383
14 HB3 PRO 3 1HB PRO 3 -2.931 8.015 5.826
15 HG2 PRO 3 2HG PRO 3 -4.901 9.584 4.234
16 HG3 PRO 3 1HG PRO 3 -3.755 10.155 5.464
17 HD2 PRO 3 2HD PRO 3 -3.330 10.444 2.806
18 HD3 PRO 3 1HD PRO 3 -1.994 10.185 3.952
19 H GLU 4 H GLU 4 -4.659 8.227 1.970
20 HA GLU 4 HA GLU 4 -6.726 6.287 1.966
21 HB2 GLU 4 2HB GLU 4 -5.905 8.190 -0.239
22 HB3 GLU 4 1HB GLU 4 -7.425 7.314 -0.151
23 HG2 GLU 4 2HG GLU 4 -6.481 9.435 1.758
24 HG3 GLU 4 1HG GLU 4 -7.721 9.621 0.521
25 H LYS 5 H LYS 5 -3.905 6.832 -0.121
26 HA LYS 5 HA LYS 5 -4.343 4.585 -1.763
27 HB2 LYS 5 2HB LYS 5 -2.045 6.419 -1.322
28 HB3 LYS 5 1HB LYS 5 -1.710 4.873 -2.078
29 HG2 LYS 5 2HG LYS 5 -2.040 6.641 -3.728
30 HG3 LYS 5 1HG LYS 5 -3.259 5.380 -3.871
31 HD2 LYS 5 2HD LYS 5 -4.850 6.808 -2.668
32 HD3 LYS 5 1HD LYS 5 -3.619 8.066 -2.545
33 HE2 LYS 5 2HE LYS 5 -3.510 8.252 -4.939
34 HE3 LYS 5 1HE LYS 5 -4.640 6.916 -5.130
35 HZ1 LYS 5 1HZ LYS 5 -6.322 8.264 -4.015
36 HZ2 LYS 5 2HZ LYS 5 -5.743 9.031 -5.393
37 HZ3 LYS 5 3HZ LYS 5 -5.220 9.534 -3.876
38 H ARG 6 H ARG 6 -2.515 5.040 1.174
39 HA ARG 6 HA ARG 6 -1.304 2.521 1.327
40 HB2 ARG 6 2HB ARG 6 -2.358 4.291 3.506
41 HB3 ARG 6 1HB ARG 6 -1.484 2.807 3.826
42 HG2 ARG 6 2HG ARG 6 0.460 3.718 2.643
43 HG3 ARG 6 1HG ARG 6 -0.432 5.224 2.377
44 HD2 ARG 6 2HD ARG 6 1.055 5.332 4.356
45 HD3 ARG 6 1HD ARG 6 -0.651 5.564 4.740
46 HE ARG 6 HE ARG 6 0.153 2.843 4.966
47 HH11 ARG 6 1HH1 ARG 6 0.184 5.929 6.685
48 HH12 ARG 6 2HH1 ARG 6 0.141 5.236 8.234
49 HH21 ARG 6 1HH2 ARG 6 0.106 1.883 7.086
50 HH22 ARG 6 2HH2 ARG 6 0.125 2.881 8.471
51 H LYS 7 H LYS 7 -4.496 3.557 2.341
52 HA LYS 7 HA LYS 7 -5.402 1.171 3.512
53 HB2 LYS 7 2HB LYS 7 -6.471 3.442 3.677
54 HB3 LYS 7 1HB LYS 7 -6.959 3.224 1.998
55 HG2 LYS 7 2HG LYS 7 -8.404 1.419 2.568
56 HG3 LYS 7 1HG LYS 7 -7.849 1.442 4.247
57 HD2 LYS 7 2HD LYS 7 -8.666 3.747 4.458
58 HD3 LYS 7 1HD LYS 7 -9.275 3.674 2.808
59 HE2 LYS 7 2HE LYS 7 -10.800 1.889 3.431
60 HE3 LYS 7 1HE LYS 7 -10.149 1.888 5.070
61 HZ1 LYS 7 1HZ LYS 7 -10.960 4.130 5.378
62 HZ2 LYS 7 2HZ LYS 7 -12.250 3.163 4.872
63 HZ3 LYS 7 3HZ LYS 7 -11.486 4.197 3.787
64 H GLU 8 H GLU 8 -5.789 2.506 0.252
65 HA GLU 8 HA GLU 8 -7.221 0.392 -0.789
66 HB2 GLU 8 2HB GLU 8 -5.386 2.306 -2.231
67 HB3 GLU 8 1HB GLU 8 -6.541 1.244 -3.021
68 HG2 GLU 8 2HG GLU 8 -8.362 2.374 -1.802
69 HG3 GLU 8 1HG GLU 8 -7.175 3.480 -1.114
70 H CYS 9 H CYS 9 -3.760 0.966 -0.608
71 HA CYS 9 HA CYS 9 -3.043 -1.313 -2.129
72 HB2 CYS 9 2HB CYS 9 -1.436 0.468 -0.333
73 HB3 CYS 9 1HB CYS 9 -0.739 -0.889 -1.211
74 H GLU 10 H GLU 10 -3.506 -0.804 1.328
75 HA GLU 10 HA GLU 10 -2.363 -3.284 2.094
76 HB2 GLU 10 2HB GLU 10 -2.749 -1.408 3.663
77 HB3 GLU 10 1HB GLU 10 -4.482 -1.632 3.483
78 HG2 GLU 10 2HG GLU 10 -4.304 -3.853 4.457
79 HG3 GLU 10 1HG GLU 10 -2.562 -3.647 4.622
80 H LYS 11 H LYS 11 -5.522 -2.212 1.160
81 HA LYS 11 HA LYS 11 -6.963 -4.604 1.528
82 HB2 LYS 11 2HB LYS 11 -8.107 -2.515 1.198
83 HB3 LYS 11 1HB LYS 11 -7.300 -2.257 -0.338
84 HG2 LYS 11 2HG LYS 11 -8.503 -4.194 -1.257
85 HG3 LYS 11 1HG LYS 11 -9.369 -4.354 0.272
86 HD2 LYS 11 2HD LYS 11 -10.323 -2.146 -0.008
87 HD3 LYS 11 1HD LYS 11 -9.381 -1.896 -1.478
88 HE2 LYS 11 2HE LYS 11 -11.649 -2.495 -2.077
89 HE3 LYS 11 1HE LYS 11 -10.549 -3.794 -2.512
90 HZ1 LYS 11 1HZ LYS 11 -12.597 -4.592 -1.461
91 HZ2 LYS 11 2HZ LYS 11 -12.205 -3.777 -0.053
92 HZ3 LYS 11 3HZ LYS 11 -11.217 -5.035 -0.604
93 H LYS 12 H LYS 12 -5.523 -3.166 -1.363
94 HA LYS 12 HA LYS 12 -6.059 -5.204 -3.194
95 HB2 LYS 12 2HB LYS 12 -5.512 -2.920 -3.827
96 HB3 LYS 12 1HB LYS 12 -3.889 -3.118 -3.189
97 HG2 LYS 12 2HG LYS 12 -3.514 -4.894 -4.894
98 HG3 LYS 12 1HG LYS 12 -5.082 -4.482 -5.591
99 HD2 LYS 12 2HD LYS 12 -4.326 -2.195 -5.969
100 HD3 LYS 12 1HD LYS 12 -2.768 -2.578 -5.232
101 HE2 LYS 12 2HE LYS 12 -2.461 -4.313 -6.969
102 HE3 LYS 12 1HE LYS 12 -3.921 -3.720 -7.766
103 HZ1 LYS 12 1HZ LYS 12 -1.960 -2.779 -8.753
104 HZ2 LYS 12 2HZ LYS 12 -1.401 -2.234 -7.285
105 HZ3 LYS 12 3HZ LYS 12 -2.787 -1.531 -7.969
106 H TYR 13 H TYR 13 -3.056 -4.536 -1.371
107 HA TYR 13 HA TYR 13 -1.933 -6.963 -2.492
108 HB2 TYR 13 2HB TYR 13 -0.587 -4.779 -0.895
109 HB3 TYR 13 1HB TYR 13 0.210 -6.163 -1.626
110 HD1 TYR 13 1HD TYR 13 0.118 -6.358 -4.180
111 HD2 TYR 13 2HD TYR 13 -0.867 -2.817 -2.080
112 HE1 TYR 13 1HE TYR 13 0.464 -5.072 -6.224
113 HE2 TYR 13 2HE TYR 13 -0.522 -1.494 -4.125
114 HH TYR 13 HH TYR 13 0.688 -1.691 -6.237
115 H THR 14 H THR 14 -2.552 -8.639 -1.366
116 HA THR 14 HA THR 14 -2.751 -8.607 1.489
117 HB THR 14 HB THR 14 -3.030 -11.111 1.127
118 HG1 THR 14 1HG THR 14 -2.864 -11.907 -0.833
119 HG21 THR 14 1HG2 THR 14 -4.783 -9.269 -0.501
120 HG22 THR 14 2HG2 THR 14 -4.970 -9.631 1.214
121 HG23 THR 14 3HG2 THR 14 -5.220 -10.895 0.017
122 H ASP 15 H ASP 15 -0.459 -9.000 -0.898
123 HA ASP 15 HA ASP 15 1.533 -10.553 0.404
124 HB2 ASP 15 2HB ASP 15 1.367 -10.221 -2.061
125 HB3 ASP 15 1HB ASP 15 1.786 -8.532 -1.828
126 HA PRO 16 HA PRO 16 2.490 -7.196 3.225
127 HB2 PRO 16 2HB PRO 16 4.721 -8.331 4.346
128 HB3 PRO 16 1HB PRO 16 3.068 -8.736 4.816
129 HG2 PRO 16 2HG PRO 16 4.915 -10.187 2.962
130 HG3 PRO 16 1HG PRO 16 3.824 -10.845 4.194
131 HD2 PRO 16 2HD PRO 16 3.205 -10.871 1.583
132 HD3 PRO 16 1HD PRO 16 1.965 -10.643 2.833
133 H LYS 17 H LYS 17 4.729 -8.504 0.894
134 HA LYS 17 HA LYS 17 6.682 -6.449 1.348
135 HB2 LYS 17 2HB LYS 17 6.468 -8.524 -0.816
136 HB3 LYS 17 1HB LYS 17 7.885 -7.513 -0.521
137 HG2 LYS 17 2HG LYS 17 8.144 -8.521 1.671
138 HG3 LYS 17 1HG LYS 17 6.703 -9.495 1.407
139 HD2 LYS 17 2HD LYS 17 7.859 -10.521 -0.559
140 HD3 LYS 17 1HD LYS 17 9.318 -9.645 -0.082
141 HE2 LYS 17 2HE LYS 17 9.261 -10.723 2.101
142 HE3 LYS 17 1HE LYS 17 7.801 -11.586 1.643
143 HZ1 LYS 17 1HZ LYS 17 10.472 -11.891 0.390
144 HZ2 LYS 17 2HZ LYS 17 9.069 -12.699 -0.093
145 HZ3 LYS 17 3HZ LYS 17 9.712 -12.974 1.430
146 H LYS 18 H LYS 18 4.229 -7.223 -1.072
147 HA LYS 18 HA LYS 18 4.764 -4.817 -2.489
148 HB2 LYS 18 2HB LYS 18 2.485 -6.752 -2.683
149 HB3 LYS 18 1HB LYS 18 2.488 -5.240 -3.586
150 HG2 LYS 18 2HG LYS 18 4.735 -5.903 -4.455
151 HG3 LYS 18 1HG LYS 18 4.432 -7.498 -3.764
152 HD2 LYS 18 2HD LYS 18 2.651 -7.898 -5.229
153 HD3 LYS 18 1HD LYS 18 2.519 -6.190 -5.667
154 HE2 LYS 18 2HE LYS 18 4.846 -7.994 -6.302
155 HE3 LYS 18 1HE LYS 18 3.605 -7.484 -7.447
156 HZ1 LYS 18 1HZ LYS 18 5.612 -6.086 -7.650
157 HZ2 LYS 18 2HZ LYS 18 5.518 -5.664 -6.037
158 HZ3 LYS 18 3HZ LYS 18 4.306 -5.173 -7.093
159 H ARG 19 H ARG 19 2.658 -5.623 0.101
160 HA ARG 19 HA ARG 19 1.187 -3.247 0.334
161 HB2 ARG 19 2HB ARG 19 0.923 -5.280 1.772
162 HB3 ARG 19 1HB ARG 19 2.466 -4.922 2.521
163 HG2 ARG 19 2HG ARG 19 1.490 -2.803 3.384
164 HG3 ARG 19 1HG ARG 19 -0.074 -3.313 2.736
165 HD2 ARG 19 2HD ARG 19 0.061 -5.370 4.101
166 HD3 ARG 19 1HD ARG 19 1.582 -4.800 4.778
167 HE ARG 19 HE ARG 19 -0.829 -3.178 5.093
168 HH11 ARG 19 1HH1 ARG 19 1.702 -5.169 6.631
169 HH12 ARG 19 2HH1 ARG 19 1.264 -4.753 8.202
170 HH21 ARG 19 1HH2 ARG 19 -1.476 -2.672 7.266
171 HH22 ARG 19 2HH2 ARG 19 -0.590 -3.278 8.590
172 H GLU 20 H GLU 20 4.388 -4.187 1.468
173 HA GLU 20 HA GLU 20 5.191 -1.757 2.612
174 HB2 GLU 20 2HB GLU 20 6.221 -3.979 3.016
175 HB3 GLU 20 1HB GLU 20 6.887 -3.929 1.396
176 HG2 GLU 20 2HG GLU 20 8.100 -1.886 2.018
177 HG3 GLU 20 1HG GLU 20 7.538 -2.105 3.678
178 H GLU 21 H GLU 21 5.568 -3.050 -0.697
179 HA GLU 21 HA GLU 21 7.194 -1.031 -1.753
180 HB2 GLU 21 2HB GLU 21 5.070 -2.662 -3.134
181 HB3 GLU 21 1HB GLU 21 6.103 -1.529 -3.977
182 HG2 GLU 21 2HG GLU 21 8.059 -2.857 -3.150
183 HG3 GLU 21 1HG GLU 21 6.902 -4.057 -2.569
184 H CYS 22 H CYS 22 3.656 -1.226 -1.649
185 HA CYS 22 HA CYS 22 3.386 1.303 -2.856
186 HB2 CYS 22 2HB CYS 22 1.536 -0.337 -2.914
187 HB3 CYS 22 1HB CYS 22 1.330 -0.141 -1.174
188 H LYS 23 H LYS 23 3.686 0.253 0.475
189 HA LYS 23 HA LYS 23 2.943 2.569 1.816
190 HB2 LYS 23 2HB LYS 23 3.451 0.488 2.982
191 HB3 LYS 23 1HB LYS 23 5.129 0.584 2.484
192 HG2 LYS 23 2HG LYS 23 4.903 1.202 4.814
193 HG3 LYS 23 1HG LYS 23 5.415 2.592 3.855
194 HD2 LYS 23 2HD LYS 23 3.073 3.379 3.803
195 HD3 LYS 23 1HD LYS 23 2.622 2.023 4.839
196 HE2 LYS 23 2HE LYS 23 2.906 4.048 6.155
197 HE3 LYS 23 1HE LYS 23 4.130 2.854 6.571
198 HZ1 LYS 23 1HZ LYS 23 5.738 4.049 5.258
199 HZ2 LYS 23 2HZ LYS 23 5.014 5.104 6.362
200 HZ3 LYS 23 3HZ LYS 23 4.551 5.144 4.740
201 H ARG 24 H ARG 24 5.841 1.918 0.034
202 HA ARG 24 HA ARG 24 7.253 4.292 0.921
203 HB2 ARG 24 2HB ARG 24 8.463 2.273 0.389
204 HB3 ARG 24 1HB ARG 24 7.815 2.265 -1.242
205 HG2 ARG 24 2HG ARG 24 9.061 4.338 -1.699
206 HG3 ARG 24 1HG ARG 24 9.728 4.271 -0.062
207 HD2 ARG 24 2HD ARG 24 10.727 2.112 -0.540
208 HD3 ARG 24 1HD ARG 24 10.035 2.129 -2.159
209 HE ARG 24 HE ARG 24 11.696 4.379 -1.559
210 HH11 ARG 24 1HH1 ARG 24 11.663 1.038 -2.741
211 HH12 ARG 24 2HH1 ARG 24 13.084 1.193 -3.662
212 HH21 ARG 24 1HH2 ARG 24 13.719 4.571 -2.805
213 HH22 ARG 24 2HH2 ARG 24 14.280 3.232 -3.679
214 H LYS 25 H LYS 25 5.116 3.364 -1.594
215 HA LYS 25 HA LYS 25 5.874 5.464 -3.449
216 HB2 LYS 25 2HB LYS 25 5.296 3.272 -4.307
217 HB3 LYS 25 1HB LYS 25 3.757 3.321 -3.471
218 HG2 LYS 25 2HG LYS 25 3.063 5.186 -4.923
219 HG3 LYS 25 1HG LYS 25 4.594 5.039 -5.794
220 HD2 LYS 25 2HD LYS 25 4.056 2.785 -6.452
221 HD3 LYS 25 1HD LYS 25 2.585 2.810 -5.481
222 HE2 LYS 25 2HE LYS 25 3.168 4.540 -7.883
223 HE3 LYS 25 1HE LYS 25 2.100 3.142 -7.849
224 HZ1 LYS 25 1HZ LYS 25 0.700 4.319 -6.252
225 HZ2 LYS 25 2HZ LYS 25 0.847 5.158 -7.691
226 HZ3 LYS 25 3HZ LYS 25 1.707 5.676 -6.342
227 H ALA 26 H ALA 26 3.280 4.604 -1.279
228 HA ALA 26 HA ALA 26 1.596 6.731 -2.113
229 HB1 ALA 26 1HB ALA 26 0.670 4.579 -1.468
230 HB2 ALA 26 2HB ALA 26 0.044 5.880 -0.452
231 HB3 ALA 26 3HB ALA 26 1.289 4.799 0.168
Start of MODEL 18
1 H HIS 1 H HIS 1 1.440 8.504 -1.518
2 HA HIS 1 HA HIS 1 2.665 8.909 1.108
3 HB2 HIS 1 2HB HIS 1 1.632 10.905 -0.932
4 HB3 HIS 1 1HB HIS 1 2.423 11.328 0.574
5 HD1 HIS 1 1HD HIS 1 4.856 11.817 0.329
6 HD2 HIS 1 2HD HIS 1 3.447 9.362 -2.709
7 HE1 HIS 1 1HE HIS 1 6.771 11.555 -1.290
8 H ASP 2 H ASP 2 -0.319 9.131 -0.583
9 HA ASP 2 HA ASP 2 -1.776 10.555 1.428
10 HB2 ASP 2 2HB ASP 2 -2.792 9.047 -1.003
11 HB3 ASP 2 1HB ASP 2 -3.745 10.126 -0.000
12 HA PRO 3 HA PRO 3 -2.660 7.170 4.061
13 HB2 PRO 3 2HB PRO 3 -5.067 7.988 5.094
14 HB3 PRO 3 1HB PRO 3 -3.505 8.626 5.616
15 HG2 PRO 3 2HG PRO 3 -5.471 9.778 3.682
16 HG3 PRO 3 1HG PRO 3 -4.529 10.601 4.936
17 HD2 PRO 3 2HD PRO 3 -3.818 10.691 2.349
18 HD3 PRO 3 1HD PRO 3 -2.603 10.631 3.638
19 H GLU 4 H GLU 4 -5.381 8.278 2.088
20 HA GLU 4 HA GLU 4 -6.791 5.824 2.290
21 HB2 GLU 4 2HB GLU 4 -7.111 8.118 0.352
22 HB3 GLU 4 1HB GLU 4 -8.257 6.797 0.553
23 HG2 GLU 4 2HG GLU 4 -8.727 7.436 2.806
24 HG3 GLU 4 1HG GLU 4 -7.434 8.627 2.790
25 H LYS 5 H LYS 5 -4.337 7.018 0.183
26 HA LYS 5 HA LYS 5 -4.681 4.955 -1.795
27 HB2 LYS 5 2HB LYS 5 -2.470 6.935 -1.284
28 HB3 LYS 5 1HB LYS 5 -2.357 5.702 -2.525
29 HG2 LYS 5 2HG LYS 5 -4.500 7.810 -2.393
30 HG3 LYS 5 1HG LYS 5 -3.049 7.906 -3.393
31 HD2 LYS 5 2HD LYS 5 -3.758 5.754 -4.472
32 HD3 LYS 5 1HD LYS 5 -5.274 5.875 -3.582
33 HE2 LYS 5 2HE LYS 5 -5.587 6.733 -5.821
34 HE3 LYS 5 1HE LYS 5 -5.701 8.044 -4.655
35 HZ1 LYS 5 1HZ LYS 5 -4.389 8.567 -6.669
36 HZ2 LYS 5 2HZ LYS 5 -3.233 7.450 -6.196
37 HZ3 LYS 5 3HZ LYS 5 -3.533 8.802 -5.245
38 H ARG 6 H ARG 6 -2.674 5.506 1.004
39 HA ARG 6 HA ARG 6 -1.101 3.173 0.725
40 HB2 ARG 6 2HB ARG 6 -0.499 5.173 2.079
41 HB3 ARG 6 1HB ARG 6 -1.773 4.757 3.210
42 HG2 ARG 6 2HG ARG 6 -0.621 2.757 3.847
43 HG3 ARG 6 1HG ARG 6 0.587 3.012 2.589
44 HD2 ARG 6 2HD ARG 6 0.078 4.875 4.904
45 HD3 ARG 6 1HD ARG 6 1.404 3.715 4.800
46 HE ARG 6 HE ARG 6 1.697 5.159 2.547
47 HH11 ARG 6 1HH1 ARG 6 1.412 6.111 5.932
48 HH12 ARG 6 2HH1 ARG 6 2.397 7.484 5.768
49 HH21 ARG 6 1HH2 ARG 6 2.958 7.027 2.302
50 HH22 ARG 6 2HH2 ARG 6 3.290 8.055 3.627
51 H LYS 7 H LYS 7 -4.080 3.936 2.422
52 HA LYS 7 HA LYS 7 -4.732 1.471 3.615
53 HB2 LYS 7 2HB LYS 7 -6.031 3.607 3.892
54 HB3 LYS 7 1HB LYS 7 -6.533 3.423 2.213
55 HG2 LYS 7 2HG LYS 7 -7.693 1.349 2.774
56 HG3 LYS 7 1HG LYS 7 -7.245 1.566 4.467
57 HD2 LYS 7 2HD LYS 7 -8.460 3.668 4.535
58 HD3 LYS 7 1HD LYS 7 -8.881 3.496 2.832
59 HE2 LYS 7 2HE LYS 7 -10.117 1.450 3.345
60 HE3 LYS 7 1HE LYS 7 -9.695 1.617 5.047
61 HZ1 LYS 7 1HZ LYS 7 -10.919 3.723 5.083
62 HZ2 LYS 7 2HZ LYS 7 -11.907 2.437 4.596
63 HZ3 LYS 7 3HZ LYS 7 -11.321 3.519 3.459
64 H GLU 8 H GLU 8 -5.423 2.762 0.421
65 HA GLU 8 HA GLU 8 -6.756 0.612 -0.592
66 HB2 GLU 8 2HB GLU 8 -6.676 2.803 -1.646
67 HB3 GLU 8 1HB GLU 8 -4.978 2.575 -2.022
68 HG2 GLU 8 2HG GLU 8 -5.563 0.721 -3.498
69 HG3 GLU 8 1HG GLU 8 -7.269 0.976 -3.127
70 H CYS 9 H CYS 9 -3.272 1.302 -0.547
71 HA CYS 9 HA CYS 9 -2.371 -0.924 -2.002
72 HB2 CYS 9 2HB CYS 9 -0.994 0.463 0.300
73 HB3 CYS 9 1HB CYS 9 -0.255 -0.676 -0.795
74 H GLU 10 H GLU 10 -2.994 -0.538 1.466
75 HA GLU 10 HA GLU 10 -2.095 -3.134 2.162
76 HB2 GLU 10 2HB GLU 10 -2.149 -1.287 3.767
77 HB3 GLU 10 1HB GLU 10 -3.896 -1.210 3.646
78 HG2 GLU 10 2HG GLU 10 -4.138 -3.309 4.735
79 HG3 GLU 10 1HG GLU 10 -2.411 -3.623 4.674
80 H LYS 11 H LYS 11 -5.107 -1.874 1.097
81 HA LYS 11 HA LYS 11 -6.581 -4.275 1.657
82 HB2 LYS 11 2HB LYS 11 -7.626 -2.025 1.558
83 HB3 LYS 11 1HB LYS 11 -7.274 -1.957 -0.156
84 HG2 LYS 11 2HG LYS 11 -9.578 -2.515 0.141
85 HG3 LYS 11 1HG LYS 11 -8.733 -3.931 -0.484
86 HD2 LYS 11 2HD LYS 11 -8.653 -4.894 1.756
87 HD3 LYS 11 1HD LYS 11 -9.436 -3.457 2.417
88 HE2 LYS 11 2HE LYS 11 -10.638 -5.373 0.411
89 HE3 LYS 11 1HE LYS 11 -11.026 -5.289 2.125
90 HZ1 LYS 11 1HZ LYS 11 -12.660 -4.145 0.765
91 HZ2 LYS 11 2HZ LYS 11 -11.482 -3.102 0.163
92 HZ3 LYS 11 3HZ LYS 11 -11.884 -3.073 1.797
93 H LYS 12 H LYS 12 -4.967 -2.835 -1.117
94 HA LYS 12 HA LYS 12 -5.883 -4.599 -3.139
95 HB2 LYS 12 2HB LYS 12 -4.900 -2.280 -3.463
96 HB3 LYS 12 1HB LYS 12 -3.337 -2.973 -3.109
97 HG2 LYS 12 2HG LYS 12 -3.480 -2.804 -5.464
98 HG3 LYS 12 1HG LYS 12 -3.660 -4.511 -5.070
99 HD2 LYS 12 2HD LYS 12 -5.269 -3.955 -6.760
100 HD3 LYS 12 1HD LYS 12 -6.143 -4.219 -5.252
101 HE2 LYS 12 2HE LYS 12 -6.211 -1.742 -4.918
102 HE3 LYS 12 1HE LYS 12 -5.402 -1.549 -6.465
103 HZ1 LYS 12 1HZ LYS 12 -7.310 -2.592 -7.548
104 HZ2 LYS 12 2HZ LYS 12 -7.790 -1.248 -6.655
105 HZ3 LYS 12 3HZ LYS 12 -8.075 -2.785 -6.063
106 H TYR 13 H TYR 13 -2.906 -4.440 -1.227
107 HA TYR 13 HA TYR 13 -2.095 -6.972 -2.416
108 HB2 TYR 13 2HB TYR 13 -0.451 -4.897 -0.982
109 HB3 TYR 13 1HB TYR 13 0.165 -6.425 -1.594
110 HD1 TYR 13 1HD TYR 13 0.133 -6.834 -4.068
111 HD2 TYR 13 2HD TYR 13 -0.683 -3.026 -2.385
112 HE1 TYR 13 1HE TYR 13 0.591 -5.800 -6.230
113 HE2 TYR 13 2HE TYR 13 -0.226 -1.966 -4.541
114 HH TYR 13 HH TYR 13 0.103 -3.809 -7.425
115 H THR 14 H THR 14 -2.267 -8.709 -1.256
116 HA THR 14 HA THR 14 -2.472 -8.507 1.616
117 HB THR 14 HB THR 14 -2.905 -11.025 1.335
118 HG1 THR 14 1HG THR 14 -3.740 -11.399 -0.882
119 HG21 THR 14 1HG2 THR 14 -4.792 -9.031 0.071
120 HG22 THR 14 2HG2 THR 14 -4.677 -9.390 1.794
121 HG23 THR 14 3HG2 THR 14 -5.236 -10.628 0.670
122 H ASP 15 H ASP 15 -0.312 -9.249 -0.919
123 HA ASP 15 HA ASP 15 1.574 -10.750 0.605
124 HB2 ASP 15 2HB ASP 15 1.632 -10.888 -1.841
125 HB3 ASP 15 1HB ASP 15 1.897 -9.150 -1.951
126 HA PRO 16 HA PRO 16 2.587 -7.158 2.994
127 HB2 PRO 16 2HB PRO 16 4.740 -8.274 4.314
128 HB3 PRO 16 1HB PRO 16 3.055 -8.435 4.805
129 HG2 PRO 16 2HG PRO 16 4.775 -10.348 3.296
130 HG3 PRO 16 1HG PRO 16 3.537 -10.673 4.519
131 HD2 PRO 16 2HD PRO 16 3.114 -11.025 1.884
132 HD3 PRO 16 1HD PRO 16 1.821 -10.537 2.992
133 H LYS 17 H LYS 17 4.851 -8.734 0.852
134 HA LYS 17 HA LYS 17 6.873 -6.721 1.199
135 HB2 LYS 17 2HB LYS 17 6.543 -8.878 -0.876
136 HB3 LYS 17 1HB LYS 17 7.959 -7.835 -0.752
137 HG2 LYS 17 2HG LYS 17 8.455 -8.726 1.433
138 HG3 LYS 17 1HG LYS 17 6.973 -9.682 1.399
139 HD2 LYS 17 2HD LYS 17 7.825 -10.945 -0.505
140 HD3 LYS 17 1HD LYS 17 9.303 -9.978 -0.490
141 HE2 LYS 17 2HE LYS 17 9.599 -12.159 0.621
142 HE3 LYS 17 1HE LYS 17 9.860 -10.805 1.717
143 HZ1 LYS 17 1HZ LYS 17 7.357 -12.385 1.517
144 HZ2 LYS 17 2HZ LYS 17 7.651 -11.140 2.616
145 HZ3 LYS 17 3HZ LYS 17 8.526 -12.578 2.716
146 H LYS 18 H LYS 18 4.586 -7.560 -1.369
147 HA LYS 18 HA LYS 18 5.062 -5.307 -3.023
148 HB2 LYS 18 2HB LYS 18 2.524 -6.908 -2.655
149 HB3 LYS 18 1HB LYS 18 2.817 -5.777 -3.961
150 HG2 LYS 18 2HG LYS 18 4.555 -7.187 -4.851
151 HG3 LYS 18 1HG LYS 18 4.421 -8.257 -3.449
152 HD2 LYS 18 2HD LYS 18 2.106 -8.779 -4.072
153 HD3 LYS 18 1HD LYS 18 2.257 -7.729 -5.478
154 HE2 LYS 18 2HE LYS 18 3.964 -10.165 -4.972
155 HE3 LYS 18 1HE LYS 18 2.524 -10.151 -5.986
156 HZ1 LYS 18 1HZ LYS 18 4.501 -9.922 -7.314
157 HZ2 LYS 18 2HZ LYS 18 4.994 -8.560 -6.465
158 HZ3 LYS 18 3HZ LYS 18 3.605 -8.510 -7.402
159 H ARG 19 H ARG 19 2.914 -5.922 -0.350
160 HA ARG 19 HA ARG 19 1.396 -3.559 -0.335
161 HB2 ARG 19 2HB ARG 19 0.956 -5.636 0.993
162 HB3 ARG 19 1HB ARG 19 2.294 -5.186 2.037
163 HG2 ARG 19 2HG ARG 19 1.136 -3.148 2.651
164 HG3 ARG 19 1HG ARG 19 -0.209 -3.599 1.601
165 HD2 ARG 19 2HD ARG 19 -0.784 -4.203 3.844
166 HD3 ARG 19 1HD ARG 19 -0.460 -5.681 2.936
167 HE ARG 19 HE ARG 19 1.888 -4.857 4.232
168 HH11 ARG 19 1HH1 ARG 19 -1.273 -6.297 5.035
169 HH12 ARG 19 2HH1 ARG 19 -0.708 -6.985 6.488
170 HH21 ARG 19 1HH2 ARG 19 2.604 -5.804 6.228
171 HH22 ARG 19 2HH2 ARG 19 1.527 -6.722 7.164
172 H GLU 20 H GLU 20 4.418 -4.403 1.350
173 HA GLU 20 HA GLU 20 4.909 -2.012 2.678
174 HB2 GLU 20 2HB GLU 20 6.148 -4.078 3.084
175 HB3 GLU 20 1HB GLU 20 6.816 -4.025 1.469
176 HG2 GLU 20 2HG GLU 20 8.470 -3.383 3.104
177 HG3 GLU 20 1HG GLU 20 8.081 -2.024 2.055
178 H GLU 21 H GLU 21 5.897 -3.067 -0.556
179 HA GLU 21 HA GLU 21 7.334 -0.788 -1.335
180 HB2 GLU 21 2HB GLU 21 5.647 -2.609 -3.013
181 HB3 GLU 21 1HB GLU 21 6.790 -1.441 -3.646
182 HG2 GLU 21 2HG GLU 21 8.607 -2.691 -2.545
183 HG3 GLU 21 1HG GLU 21 7.413 -3.850 -1.947
184 H CYS 22 H CYS 22 3.903 -1.530 -1.634
185 HA CYS 22 HA CYS 22 3.413 0.856 -3.061
186 HB2 CYS 22 2HB CYS 22 2.039 -1.228 -3.233
187 HB3 CYS 22 1HB CYS 22 1.388 -0.886 -1.644
188 H LYS 23 H LYS 23 3.226 -0.114 0.337
189 HA LYS 23 HA LYS 23 1.931 2.140 1.401
190 HB2 LYS 23 2HB LYS 23 3.870 0.172 2.589
191 HB3 LYS 23 1HB LYS 23 3.320 1.552 3.516
192 HG2 LYS 23 2HG LYS 23 1.045 0.753 3.450
193 HG3 LYS 23 1HG LYS 23 1.499 -0.553 2.345
194 HD2 LYS 23 2HD LYS 23 2.868 -1.589 4.018
195 HD3 LYS 23 1HD LYS 23 2.691 -0.217 5.101
196 HE2 LYS 23 2HE LYS 23 0.374 -1.930 4.210
197 HE3 LYS 23 1HE LYS 23 1.312 -2.286 5.651
198 HZ1 LYS 23 1HZ LYS 23 0.649 -0.109 6.533
199 HZ2 LYS 23 2HZ LYS 23 -0.674 -1.078 6.212
200 HZ3 LYS 23 3HZ LYS 23 -0.299 0.191 5.181
201 H ARG 24 H ARG 24 5.281 1.560 0.607
202 HA ARG 24 HA ARG 24 6.089 4.138 1.650
203 HB2 ARG 24 2HB ARG 24 8.360 3.503 0.990
204 HB3 ARG 24 1HB ARG 24 7.583 2.204 1.882
205 HG2 ARG 24 2HG ARG 24 7.143 1.033 -0.196
206 HG3 ARG 24 1HG ARG 24 7.952 2.323 -1.087
207 HD2 ARG 24 2HD ARG 24 9.233 0.646 1.062
208 HD3 ARG 24 1HD ARG 24 9.401 0.355 -0.667
209 HE ARG 24 HE ARG 24 10.172 2.924 -0.392
210 HH11 ARG 24 1HH1 ARG 24 11.132 0.051 1.391
211 HH12 ARG 24 2HH1 ARG 24 12.768 0.470 1.521
212 HH21 ARG 24 1HH2 ARG 24 12.420 3.542 -0.238
213 HH22 ARG 24 2HH2 ARG 24 13.536 2.541 0.561
214 H LYS 25 H LYS 25 4.556 3.190 -1.073
215 HA LYS 25 HA LYS 25 5.893 5.140 -2.770
216 HB2 LYS 25 2HB LYS 25 5.477 3.010 -3.872
217 HB3 LYS 25 1HB LYS 25 3.784 3.059 -3.404
218 HG2 LYS 25 2HG LYS 25 4.058 3.607 -5.762
219 HG3 LYS 25 1HG LYS 25 3.420 4.983 -4.865
220 HD2 LYS 25 2HD LYS 25 5.764 5.871 -4.737
221 HD3 LYS 25 1HD LYS 25 6.251 4.570 -5.825
222 HE2 LYS 25 2HE LYS 25 4.196 6.690 -6.403
223 HE3 LYS 25 1HE LYS 25 5.845 6.680 -7.017
224 HZ1 LYS 25 1HZ LYS 25 4.277 5.878 -8.633
225 HZ2 LYS 25 2HZ LYS 25 3.762 4.647 -7.616
226 HZ3 LYS 25 3HZ LYS 25 5.349 4.653 -8.209
227 H ALA 26 H ALA 26 2.724 4.267 -1.529
228 HA ALA 26 HA ALA 26 1.477 6.646 -2.455
229 HB1 ALA 26 1HB ALA 26 0.233 4.566 -2.177
230 HB2 ALA 26 2HB ALA 26 -0.446 5.850 -1.175
231 HB3 ALA 26 3HB ALA 26 0.558 4.599 -0.445
Start of MODEL 19
1 H HIS 1 H HIS 1 0.680 7.890 -2.563
2 HA HIS 1 HA HIS 1 2.328 9.436 -0.663
3 HB2 HIS 1 2HB HIS 1 1.060 10.361 -3.249
4 HB3 HIS 1 1HB HIS 1 1.757 11.455 -2.069
5 HD1 HIS 1 1HD HIS 1 3.923 12.261 -3.051
6 HD2 HIS 1 2HD HIS 1 3.312 8.209 -3.719
7 HE1 HIS 1 1HE HIS 1 5.961 11.436 -4.280
8 H ASP 2 H ASP 2 -0.711 8.245 -1.263
9 HA ASP 2 HA ASP 2 -2.157 10.436 -0.037
10 HB2 ASP 2 2HB ASP 2 -3.107 7.682 -0.884
11 HB3 ASP 2 1HB ASP 2 -4.142 8.920 -0.213
12 HA PRO 3 HA PRO 3 -1.955 8.691 4.121
13 HB2 PRO 3 2HB PRO 3 -4.692 9.670 4.577
14 HB3 PRO 3 1HB PRO 3 -3.196 10.171 5.365
15 HG2 PRO 3 2HG PRO 3 -4.517 11.763 3.647
16 HG3 PRO 3 1HG PRO 3 -2.752 11.788 3.787
17 HD2 PRO 3 2HD PRO 3 -4.476 10.499 1.702
18 HD3 PRO 3 1HD PRO 3 -2.938 11.376 1.525
19 H GLU 4 H GLU 4 -4.438 8.161 1.893
20 HA GLU 4 HA GLU 4 -5.876 6.110 3.240
21 HB2 GLU 4 2HB GLU 4 -5.879 6.939 0.338
22 HB3 GLU 4 1HB GLU 4 -7.042 5.846 1.081
23 HG2 GLU 4 2HG GLU 4 -7.754 7.641 2.590
24 HG3 GLU 4 1HG GLU 4 -6.611 8.733 1.815
25 H LYS 5 H LYS 5 -2.877 6.118 2.110
26 HA LYS 5 HA LYS 5 -2.489 3.935 0.460
27 HB2 LYS 5 2HB LYS 5 -0.145 3.960 1.156
28 HB3 LYS 5 1HB LYS 5 -0.759 5.574 1.005
29 HG2 LYS 5 2HG LYS 5 -0.824 5.962 3.309
30 HG3 LYS 5 1HG LYS 5 -0.669 4.250 3.691
31 HD2 LYS 5 2HD LYS 5 1.421 5.415 4.134
32 HD3 LYS 5 1HD LYS 5 1.631 4.269 2.818
33 HE2 LYS 5 2HE LYS 5 2.797 6.324 2.304
34 HE3 LYS 5 1HE LYS 5 1.431 6.151 1.210
35 HZ1 LYS 5 1HZ LYS 5 0.204 7.756 2.519
36 HZ2 LYS 5 2HZ LYS 5 1.704 8.427 2.127
37 HZ3 LYS 5 3HZ LYS 5 1.442 7.838 3.651
38 H ARG 6 H ARG 6 -3.152 3.966 3.891
39 HA ARG 6 HA ARG 6 -2.285 1.356 4.526
40 HB2 ARG 6 2HB ARG 6 -4.553 2.994 5.681
41 HB3 ARG 6 1HB ARG 6 -3.998 1.477 6.356
42 HG2 ARG 6 2HG ARG 6 -2.244 3.890 6.030
43 HG3 ARG 6 1HG ARG 6 -3.163 3.540 7.493
44 HD2 ARG 6 2HD ARG 6 -1.988 1.381 7.673
45 HD3 ARG 6 1HD ARG 6 -1.043 1.795 6.245
46 HE ARG 6 HE ARG 6 -0.557 3.874 7.819
47 HH11 ARG 6 1HH1 ARG 6 -0.446 0.394 8.520
48 HH12 ARG 6 2HH1 ARG 6 0.798 0.555 9.678
49 HH21 ARG 6 1HH2 ARG 6 1.153 4.030 9.453
50 HH22 ARG 6 2HH2 ARG 6 1.705 2.595 10.199
51 H LYS 7 H LYS 7 -5.515 2.553 3.796
52 HA LYS 7 HA LYS 7 -6.773 0.057 3.582
53 HB2 LYS 7 2HB LYS 7 -7.929 2.244 3.991
54 HB3 LYS 7 1HB LYS 7 -7.531 2.683 2.331
55 HG2 LYS 7 2HG LYS 7 -9.792 2.012 2.365
56 HG3 LYS 7 1HG LYS 7 -8.869 0.735 1.572
57 HD2 LYS 7 2HD LYS 7 -8.852 -0.498 3.745
58 HD3 LYS 7 1HD LYS 7 -9.904 0.752 4.400
59 HE2 LYS 7 2HE LYS 7 -10.531 -1.039 2.058
60 HE3 LYS 7 1HE LYS 7 -11.205 -1.176 3.677
61 HZ1 LYS 7 1HZ LYS 7 -12.218 1.029 3.361
62 HZ2 LYS 7 2HZ LYS 7 -12.752 -0.089 2.252
63 HZ3 LYS 7 3HZ LYS 7 -11.638 1.076 1.771
64 H GLU 8 H GLU 8 -5.786 2.339 1.080
65 HA GLU 8 HA GLU 8 -6.628 0.619 -0.929
66 HB2 GLU 8 2HB GLU 8 -5.123 3.175 -0.974
67 HB3 GLU 8 1HB GLU 8 -5.346 2.241 -2.452
68 HG2 GLU 8 2HG GLU 8 -7.560 3.171 -0.644
69 HG3 GLU 8 1HG GLU 8 -7.087 3.945 -2.160
70 H CYS 9 H CYS 9 -3.493 0.881 0.594
71 HA CYS 9 HA CYS 9 -2.426 -0.692 -1.560
72 HB2 CYS 9 2HB CYS 9 -1.111 0.212 0.989
73 HB3 CYS 9 1HB CYS 9 -0.318 -0.869 -0.159
74 H GLU 10 H GLU 10 -3.795 -1.287 1.614
75 HA GLU 10 HA GLU 10 -3.100 -4.043 1.599
76 HB2 GLU 10 2HB GLU 10 -3.862 -2.896 3.608
77 HB3 GLU 10 1HB GLU 10 -5.415 -2.570 2.867
78 HG2 GLU 10 2HG GLU 10 -5.890 -4.970 2.832
79 HG3 GLU 10 1HG GLU 10 -4.321 -5.282 3.576
80 H LYS 11 H LYS 11 -5.683 -2.160 0.221
81 HA LYS 11 HA LYS 11 -7.395 -4.167 -0.781
82 HB2 LYS 11 2HB LYS 11 -6.748 -1.408 -1.826
83 HB3 LYS 11 1HB LYS 11 -7.999 -2.421 -2.515
84 HG2 LYS 11 2HG LYS 11 -8.031 -1.733 0.396
85 HG3 LYS 11 1HG LYS 11 -8.624 -0.588 -0.800
86 HD2 LYS 11 2HD LYS 11 -9.612 -3.429 -0.622
87 HD3 LYS 11 1HD LYS 11 -10.368 -2.091 0.247
88 HE2 LYS 11 2HE LYS 11 -10.020 -2.271 -2.756
89 HE3 LYS 11 1HE LYS 11 -11.515 -2.538 -1.867
90 HZ1 LYS 11 1HZ LYS 11 -10.023 0.065 -1.930
91 HZ2 LYS 11 2HZ LYS 11 -11.468 -0.246 -1.127
92 HZ3 LYS 11 3HZ LYS 11 -11.418 -0.311 -2.793
93 H LYS 12 H LYS 12 -4.655 -2.507 -2.279
94 HA LYS 12 HA LYS 12 -4.821 -4.090 -4.661
95 HB2 LYS 12 2HB LYS 12 -4.090 -1.737 -4.700
96 HB3 LYS 12 1HB LYS 12 -2.694 -2.151 -3.729
97 HG2 LYS 12 2HG LYS 12 -2.095 -1.837 -6.070
98 HG3 LYS 12 1HG LYS 12 -1.804 -3.499 -5.562
99 HD2 LYS 12 2HD LYS 12 -3.819 -4.228 -6.648
100 HD3 LYS 12 1HD LYS 12 -4.258 -2.566 -7.046
101 HE2 LYS 12 2HE LYS 12 -3.327 -3.732 -8.990
102 HE3 LYS 12 1HE LYS 12 -2.300 -2.390 -8.501
103 HZ1 LYS 12 1HZ LYS 12 -1.065 -4.392 -9.077
104 HZ2 LYS 12 2HZ LYS 12 -1.781 -5.259 -7.844
105 HZ3 LYS 12 3HZ LYS 12 -0.761 -3.941 -7.498
106 H TYR 13 H TYR 13 -2.746 -4.092 -1.752
107 HA TYR 13 HA TYR 13 -1.663 -6.646 -2.660
108 HB2 TYR 13 2HB TYR 13 -0.069 -4.470 -1.316
109 HB3 TYR 13 1HB TYR 13 0.521 -6.054 -1.788
110 HD1 TYR 13 1HD TYR 13 0.141 -2.691 -2.731
111 HD2 TYR 13 2HD TYR 13 0.395 -6.612 -4.323
112 HE1 TYR 13 1HE TYR 13 0.747 -1.758 -4.898
113 HE2 TYR 13 2HE TYR 13 1.017 -5.698 -6.503
114 HH TYR 13 HH TYR 13 1.900 -2.468 -6.930
115 H THR 14 H THR 14 -2.556 -8.006 -1.264
116 HA THR 14 HA THR 14 -2.777 -7.355 1.540
117 HB THR 14 HB THR 14 -3.135 -10.051 0.197
118 HG1 THR 14 1HG THR 14 -4.489 -7.698 -0.053
119 HG21 THR 14 1HG2 THR 14 -4.428 -8.770 2.619
120 HG22 THR 14 2HG2 THR 14 -3.159 -9.994 2.673
121 HG23 THR 14 3HG2 THR 14 -4.745 -10.396 2.011
122 H ASP 15 H ASP 15 -0.618 -8.616 -0.649
123 HA ASP 15 HA ASP 15 1.166 -10.270 0.765
124 HB2 ASP 15 2HB ASP 15 0.978 -9.898 -1.667
125 HB3 ASP 15 1HB ASP 15 1.655 -8.296 -1.451
126 HA PRO 16 HA PRO 16 2.543 -6.971 3.538
127 HB2 PRO 16 2HB PRO 16 4.725 -8.254 4.588
128 HB3 PRO 16 1HB PRO 16 3.067 -8.550 5.111
129 HG2 PRO 16 2HG PRO 16 4.734 -10.095 3.164
130 HG3 PRO 16 1HG PRO 16 3.697 -10.698 4.469
131 HD2 PRO 16 2HD PRO 16 2.878 -10.712 1.924
132 HD3 PRO 16 1HD PRO 16 1.746 -10.340 3.245
133 H LYS 17 H LYS 17 4.750 -8.542 1.308
134 HA LYS 17 HA LYS 17 6.865 -6.634 1.611
135 HB2 LYS 17 2HB LYS 17 6.316 -8.784 -0.420
136 HB3 LYS 17 1HB LYS 17 7.781 -7.814 -0.392
137 HG2 LYS 17 2HG LYS 17 8.496 -8.756 1.644
138 HG3 LYS 17 1HG LYS 17 6.904 -9.445 1.969
139 HD2 LYS 17 2HD LYS 17 8.566 -11.118 1.247
140 HD3 LYS 17 1HD LYS 17 7.176 -11.033 0.176
141 HE2 LYS 17 2HE LYS 17 8.532 -9.605 -1.356
142 HE3 LYS 17 1HE LYS 17 9.916 -9.843 -0.287
143 HZ1 LYS 17 1HZ LYS 17 8.432 -11.994 -1.680
144 HZ2 LYS 17 2HZ LYS 17 9.791 -12.206 -0.704
145 HZ3 LYS 17 3HZ LYS 17 9.932 -11.388 -2.158
146 H LYS 18 H LYS 18 4.493 -7.391 -0.879
147 HA LYS 18 HA LYS 18 5.148 -5.204 -2.566
148 HB2 LYS 18 2HB LYS 18 2.584 -6.779 -2.369
149 HB3 LYS 18 1HB LYS 18 2.997 -5.686 -3.671
150 HG2 LYS 18 2HG LYS 18 4.805 -7.126 -4.370
151 HG3 LYS 18 1HG LYS 18 4.528 -8.191 -2.986
152 HD2 LYS 18 2HD LYS 18 2.259 -8.652 -3.817
153 HD3 LYS 18 1HD LYS 18 2.570 -7.625 -5.213
154 HE2 LYS 18 2HE LYS 18 2.810 -9.999 -5.747
155 HE3 LYS 18 1HE LYS 18 4.329 -9.132 -5.953
156 HZ1 LYS 18 1HZ LYS 18 5.157 -10.065 -3.945
157 HZ2 LYS 18 2HZ LYS 18 4.491 -11.348 -4.811
158 HZ3 LYS 18 3HZ LYS 18 3.674 -10.707 -3.500
159 H ARG 19 H ARG 19 2.860 -5.638 0.072
160 HA ARG 19 HA ARG 19 1.487 -3.196 -0.228
161 HB2 ARG 19 2HB ARG 19 0.690 -5.051 1.206
162 HB3 ARG 19 1HB ARG 19 2.020 -4.746 2.311
163 HG2 ARG 19 2HG ARG 19 1.127 -2.523 2.769
164 HG3 ARG 19 1HG ARG 19 -0.213 -2.842 1.665
165 HD2 ARG 19 2HD ARG 19 -0.891 -4.737 3.056
166 HD3 ARG 19 1HD ARG 19 0.426 -4.380 4.175
167 HE ARG 19 HE ARG 19 -1.068 -2.084 3.816
168 HH11 ARG 19 1HH1 ARG 19 -1.430 -5.265 5.306
169 HH12 ARG 19 2HH1 ARG 19 -2.620 -4.756 6.427
170 HH21 ARG 19 1HH2 ARG 19 -2.711 -1.414 5.303
171 HH22 ARG 19 2HH2 ARG 19 -3.356 -2.523 6.424
172 H GLU 20 H GLU 20 4.388 -4.119 1.552
173 HA GLU 20 HA GLU 20 4.863 -1.619 2.733
174 HB2 GLU 20 2HB GLU 20 5.887 -3.723 3.459
175 HB3 GLU 20 1HB GLU 20 6.792 -3.797 1.961
176 HG2 GLU 20 2HG GLU 20 8.008 -1.795 2.577
177 HG3 GLU 20 1HG GLU 20 7.069 -1.676 4.068
178 H GLU 21 H GLU 21 5.791 -2.996 -0.392
179 HA GLU 21 HA GLU 21 7.396 -0.849 -1.275
180 HB2 GLU 21 2HB GLU 21 5.615 -2.691 -2.830
181 HB3 GLU 21 1HB GLU 21 6.721 -1.551 -3.566
182 HG2 GLU 21 2HG GLU 21 8.572 -2.771 -2.371
183 HG3 GLU 21 1HG GLU 21 7.367 -3.973 -1.898
184 H CYS 22 H CYS 22 3.968 -1.548 -1.661
185 HA CYS 22 HA CYS 22 3.292 0.708 -3.100
186 HB2 CYS 22 2HB CYS 22 1.823 -1.270 -2.809
187 HB3 CYS 22 1HB CYS 22 1.535 -0.792 -1.144
188 H LYS 23 H LYS 23 3.361 0.114 0.369
189 HA LYS 23 HA LYS 23 2.396 2.385 1.546
190 HB2 LYS 23 2HB LYS 23 3.115 0.485 2.803
191 HB3 LYS 23 1HB LYS 23 4.748 0.623 2.193
192 HG2 LYS 23 2HG LYS 23 5.009 2.709 3.490
193 HG3 LYS 23 1HG LYS 23 3.389 2.453 4.154
194 HD2 LYS 23 2HD LYS 23 4.086 0.323 5.106
195 HD3 LYS 23 1HD LYS 23 5.681 0.498 4.382
196 HE2 LYS 23 2HE LYS 23 6.075 2.489 5.754
197 HE3 LYS 23 1HE LYS 23 4.484 2.301 6.486
198 HZ1 LYS 23 1HZ LYS 23 5.189 0.157 7.357
199 HZ2 LYS 23 2HZ LYS 23 6.225 1.356 7.901
200 HZ3 LYS 23 3HZ LYS 23 6.702 0.335 6.651
201 H ARG 24 H ARG 24 5.509 1.893 0.040
202 HA ARG 24 HA ARG 24 6.502 4.520 0.790
203 HB2 ARG 24 2HB ARG 24 7.746 2.304 -0.825
204 HB3 ARG 24 1HB ARG 24 8.560 3.765 -0.287
205 HG2 ARG 24 2HG ARG 24 8.307 3.104 2.024
206 HG3 ARG 24 1HG ARG 24 7.372 1.689 1.539
207 HD2 ARG 24 2HD ARG 24 9.678 1.083 2.037
208 HD3 ARG 24 1HD ARG 24 9.307 0.823 0.334
209 HE ARG 24 HE ARG 24 10.372 3.388 0.685
210 HH11 ARG 24 1HH1 ARG 24 11.372 -0.008 0.534
211 HH12 ARG 24 2HH1 ARG 24 13.011 0.337 0.246
212 HH21 ARG 24 1HH2 ARG 24 12.587 3.858 0.206
213 HH22 ARG 24 2HH2 ARG 24 13.733 2.606 0.028
214 H LYS 25 H LYS 25 4.882 3.051 -1.810
215 HA LYS 25 HA LYS 25 5.905 4.918 -3.819
216 HB2 LYS 25 2HB LYS 25 5.720 2.455 -4.289
217 HB3 LYS 25 1HB LYS 25 3.992 2.585 -4.072
218 HG2 LYS 25 2HG LYS 25 4.523 2.500 -6.424
219 HG3 LYS 25 1HG LYS 25 3.858 4.076 -6.007
220 HD2 LYS 25 2HD LYS 25 5.740 4.291 -7.542
221 HD3 LYS 25 1HD LYS 25 6.122 5.031 -5.987
222 HE2 LYS 25 2HE LYS 25 8.027 3.791 -6.820
223 HE3 LYS 25 1HE LYS 25 7.387 2.990 -5.392
224 HZ1 LYS 25 1HZ LYS 25 6.943 2.170 -8.215
225 HZ2 LYS 25 2HZ LYS 25 6.239 1.412 -6.898
226 HZ3 LYS 25 3HZ LYS 25 7.917 1.392 -7.086
227 H ALA 26 H ALA 26 3.368 4.465 -1.677
228 HA ALA 26 HA ALA 26 1.403 5.971 -3.148
229 HB1 ALA 26 1HB ALA 26 1.348 4.708 -0.422
230 HB2 ALA 26 2HB ALA 26 0.679 4.028 -1.906
231 HB3 ALA 26 3HB ALA 26 -0.025 5.484 -1.201
Start of MODEL 20
1 H HIS 1 H HIS 1 1.126 8.421 -2.557
2 HA HIS 1 HA HIS 1 2.622 9.289 -0.186
3 HB2 HIS 1 2HB HIS 1 1.919 10.869 -2.649
4 HB3 HIS 1 1HB HIS 1 2.367 11.644 -1.135
5 HD1 HIS 1 1HD HIS 1 4.804 12.108 -0.896
6 HD2 HIS 1 2HD HIS 1 4.061 9.018 -3.572
7 HE1 HIS 1 1HE HIS 1 7.035 11.487 -1.869
8 H ASP 2 H ASP 2 -0.429 8.764 -1.470
9 HA ASP 2 HA ASP 2 -1.767 10.708 0.190
10 HB2 ASP 2 2HB ASP 2 -2.825 8.420 -1.491
11 HB3 ASP 2 1HB ASP 2 -3.856 9.436 -0.499
12 HA PRO 3 HA PRO 3 -1.729 8.171 3.811
13 HB2 PRO 3 2HB PRO 3 -3.993 9.114 5.043
14 HB3 PRO 3 1HB PRO 3 -2.456 9.985 5.035
15 HG2 PRO 3 2HG PRO 3 -4.845 10.359 3.269
16 HG3 PRO 3 1HG PRO 3 -3.842 11.586 4.063
17 HD2 PRO 3 2HD PRO 3 -3.539 11.011 1.474
18 HD3 PRO 3 1HD PRO 3 -2.142 11.390 2.505
19 H GLU 4 H GLU 4 -4.169 8.166 1.518
20 HA GLU 4 HA GLU 4 -5.985 6.222 2.512
21 HB2 GLU 4 2HB GLU 4 -5.315 7.039 -0.312
22 HB3 GLU 4 1HB GLU 4 -6.734 6.124 0.175
23 HG2 GLU 4 2HG GLU 4 -7.580 8.022 1.395
24 HG3 GLU 4 1HG GLU 4 -6.102 8.928 1.072
25 H LYS 5 H LYS 5 -2.830 6.097 1.160
26 HA LYS 5 HA LYS 5 -2.717 3.779 -0.327
27 HB2 LYS 5 2HB LYS 5 -0.315 3.833 0.016
28 HB3 LYS 5 1HB LYS 5 -0.933 5.458 -0.137
29 HG2 LYS 5 2HG LYS 5 -0.872 5.734 2.297
30 HG3 LYS 5 1HG LYS 5 -0.196 4.116 2.452
31 HD2 LYS 5 2HD LYS 5 1.760 4.798 1.170
32 HD3 LYS 5 1HD LYS 5 1.065 6.405 0.947
33 HE2 LYS 5 2HE LYS 5 1.047 6.712 3.377
34 HE3 LYS 5 1HE LYS 5 1.807 5.137 3.575
35 HZ1 LYS 5 1HZ LYS 5 3.713 5.949 2.344
36 HZ2 LYS 5 2HZ LYS 5 3.402 6.922 3.695
37 HZ3 LYS 5 3HZ LYS 5 2.981 7.469 2.166
38 H ARG 6 H ARG 6 -2.812 4.103 3.125
39 HA ARG 6 HA ARG 6 -1.715 1.611 3.856
40 HB2 ARG 6 2HB ARG 6 -3.796 3.281 5.251
41 HB3 ARG 6 1HB ARG 6 -2.945 1.927 5.977
42 HG2 ARG 6 2HG ARG 6 -0.847 3.151 5.807
43 HG3 ARG 6 1HG ARG 6 -1.686 4.491 5.014
44 HD2 ARG 6 2HD ARG 6 -3.077 4.805 6.971
45 HD3 ARG 6 1HD ARG 6 -2.304 3.444 7.772
46 HE ARG 6 HE ARG 6 -0.258 5.095 7.187
47 HH11 ARG 6 1HH1 ARG 6 -3.354 5.571 8.811
48 HH12 ARG 6 2HH1 ARG 6 -2.804 6.733 9.911
49 HH21 ARG 6 1HH2 ARG 6 0.560 6.713 8.764
50 HH22 ARG 6 2HH2 ARG 6 -0.515 7.384 9.891
51 H LYS 7 H LYS 7 -5.139 2.626 3.738
52 HA LYS 7 HA LYS 7 -6.199 0.062 4.075
53 HB2 LYS 7 2HB LYS 7 -7.230 2.289 4.633
54 HB3 LYS 7 1HB LYS 7 -7.450 2.534 2.913
55 HG2 LYS 7 2HG LYS 7 -9.510 1.804 3.819
56 HG3 LYS 7 1HG LYS 7 -8.828 0.488 2.860
57 HD2 LYS 7 2HD LYS 7 -9.728 -0.373 4.905
58 HD3 LYS 7 1HD LYS 7 -7.984 -0.560 4.922
59 HE2 LYS 7 2HE LYS 7 -8.813 0.202 7.105
60 HE3 LYS 7 1HE LYS 7 -7.777 1.416 6.377
61 HZ1 LYS 7 1HZ LYS 7 -9.798 2.623 5.690
62 HZ2 LYS 7 2HZ LYS 7 -9.720 2.406 7.350
63 HZ3 LYS 7 3HZ LYS 7 -10.754 1.456 6.446
64 H GLU 8 H GLU 8 -5.799 2.202 1.317
65 HA GLU 8 HA GLU 8 -7.171 0.613 -0.506
66 HB2 GLU 8 2HB GLU 8 -6.743 3.006 -0.753
67 HB3 GLU 8 1HB GLU 8 -5.036 2.677 -0.975
68 HG2 GLU 8 2HG GLU 8 -5.428 1.628 -3.051
69 HG3 GLU 8 1HG GLU 8 -7.174 1.622 -2.785
70 H CYS 9 H CYS 9 -3.746 0.702 0.369
71 HA CYS 9 HA CYS 9 -3.321 -1.316 -1.612
72 HB2 CYS 9 2HB CYS 9 -1.356 0.213 0.044
73 HB3 CYS 9 1HB CYS 9 -0.860 -1.229 -0.845
74 H GLU 10 H GLU 10 -3.964 -1.298 1.747
75 HA GLU 10 HA GLU 10 -3.066 -3.942 2.175
76 HB2 GLU 10 2HB GLU 10 -3.743 -2.424 4.031
77 HB3 GLU 10 1HB GLU 10 -5.403 -2.489 3.462
78 HG2 GLU 10 2HG GLU 10 -5.474 -4.883 3.921
79 HG3 GLU 10 1HG GLU 10 -3.805 -4.829 4.471
80 H LYS 11 H LYS 11 -5.932 -2.520 0.809
81 HA LYS 11 HA LYS 11 -7.323 -4.978 0.395
82 HB2 LYS 11 2HB LYS 11 -7.666 -2.271 -0.885
83 HB3 LYS 11 1HB LYS 11 -8.746 -3.630 -1.141
84 HG2 LYS 11 2HG LYS 11 -9.337 -3.616 1.223
85 HG3 LYS 11 1HG LYS 11 -8.224 -2.271 1.493
86 HD2 LYS 11 2HD LYS 11 -9.498 -0.877 -0.024
87 HD3 LYS 11 1HD LYS 11 -10.579 -2.220 -0.382
88 HE2 LYS 11 2HE LYS 11 -11.286 -2.267 1.960
89 HE3 LYS 11 1HE LYS 11 -10.218 -0.916 2.313
90 HZ1 LYS 11 1HZ LYS 11 -11.498 0.477 0.825
91 HZ2 LYS 11 2HZ LYS 11 -12.559 -0.241 1.928
92 HZ3 LYS 11 3HZ LYS 11 -12.459 -0.825 0.374
93 H LYS 12 H LYS 12 -5.408 -2.856 -1.712
94 HA LYS 12 HA LYS 12 -5.827 -4.430 -4.023
95 HB2 LYS 12 2HB LYS 12 -5.273 -1.976 -3.953
96 HB3 LYS 12 1HB LYS 12 -3.615 -2.434 -3.611
97 HG2 LYS 12 2HG LYS 12 -3.876 -1.923 -5.955
98 HG3 LYS 12 1HG LYS 12 -3.524 -3.643 -5.749
99 HD2 LYS 12 2HD LYS 12 -5.844 -4.206 -6.070
100 HD3 LYS 12 1HD LYS 12 -6.298 -2.503 -6.084
101 HE2 LYS 12 2HE LYS 12 -4.981 -2.204 -8.146
102 HE3 LYS 12 1HE LYS 12 -4.572 -3.919 -8.118
103 HZ1 LYS 12 1HZ LYS 12 -6.423 -3.472 -9.606
104 HZ2 LYS 12 2HZ LYS 12 -7.311 -2.802 -8.338
105 HZ3 LYS 12 3HZ LYS 12 -6.927 -4.438 -8.313
106 H TYR 13 H TYR 13 -3.107 -4.300 -1.724
107 HA TYR 13 HA TYR 13 -1.876 -6.503 -3.216
108 HB2 TYR 13 2HB TYR 13 -0.626 -4.555 -1.264
109 HB3 TYR 13 1HB TYR 13 0.208 -5.918 -1.987
110 HD1 TYR 13 1HD TYR 13 0.781 -5.875 -4.400
111 HD2 TYR 13 2HD TYR 13 -0.990 -2.527 -2.478
112 HE1 TYR 13 1HE TYR 13 1.502 -4.439 -6.251
113 HE2 TYR 13 2HE TYR 13 -0.287 -1.081 -4.331
114 HH TYR 13 HH TYR 13 0.776 -2.221 -7.274
115 H THR 14 H THR 14 -1.745 -8.405 -2.251
116 HA THR 14 HA THR 14 -2.794 -8.584 0.454
117 HB THR 14 HB THR 14 -3.866 -9.975 -1.323
118 HG1 THR 14 1HG THR 14 -4.291 -11.145 0.287
119 HG21 THR 14 1HG2 THR 14 -1.940 -10.460 -2.724
120 HG22 THR 14 2HG2 THR 14 -2.686 -11.967 -2.190
121 HG23 THR 14 3HG2 THR 14 -1.203 -11.395 -1.424
122 H ASP 15 H ASP 15 0.066 -8.857 -1.392
123 HA ASP 15 HA ASP 15 1.555 -10.440 0.468
124 HB2 ASP 15 2HB ASP 15 2.129 -10.470 -1.898
125 HB3 ASP 15 1HB ASP 15 2.429 -8.742 -1.880
126 HA PRO 16 HA PRO 16 2.256 -7.181 3.423
127 HB2 PRO 16 2HB PRO 16 4.754 -8.734 3.883
128 HB3 PRO 16 1HB PRO 16 3.556 -8.154 5.046
129 HG2 PRO 16 2HG PRO 16 3.614 -10.703 4.370
130 HG3 PRO 16 1HG PRO 16 2.066 -9.866 4.564
131 HD2 PRO 16 2HD PRO 16 3.489 -10.653 2.057
132 HD3 PRO 16 1HD PRO 16 1.750 -10.647 2.433
133 H LYS 17 H LYS 17 4.982 -8.254 1.369
134 HA LYS 17 HA LYS 17 6.314 -5.774 1.946
135 HB2 LYS 17 2HB LYS 17 7.155 -8.150 0.324
136 HB3 LYS 17 1HB LYS 17 8.090 -6.654 0.336
137 HG2 LYS 17 2HG LYS 17 7.455 -8.399 2.717
138 HG3 LYS 17 1HG LYS 17 9.007 -8.298 1.882
139 HD2 LYS 17 2HD LYS 17 9.169 -5.921 2.486
140 HD3 LYS 17 1HD LYS 17 7.631 -6.029 3.336
141 HE2 LYS 17 2HE LYS 17 8.660 -7.790 4.783
142 HE3 LYS 17 1HE LYS 17 10.204 -7.414 4.021
143 HZ1 LYS 17 1HZ LYS 17 8.505 -5.462 5.457
144 HZ2 LYS 17 2HZ LYS 17 10.041 -5.147 4.828
145 HZ3 LYS 17 3HZ LYS 17 9.856 -6.219 6.123
146 H LYS 18 H LYS 18 4.447 -7.081 -0.622
147 HA LYS 18 HA LYS 18 4.965 -4.942 -2.445
148 HB2 LYS 18 2HB LYS 18 2.578 -6.772 -2.174
149 HB3 LYS 18 1HB LYS 18 2.746 -5.584 -3.449
150 HG2 LYS 18 2HG LYS 18 4.680 -7.837 -2.978
151 HG3 LYS 18 1HG LYS 18 3.364 -7.867 -4.151
152 HD2 LYS 18 2HD LYS 18 4.324 -5.902 -5.268
153 HD3 LYS 18 1HD LYS 18 5.650 -5.896 -4.111
154 HE2 LYS 18 2HE LYS 18 4.992 -8.188 -5.932
155 HE3 LYS 18 1HE LYS 18 6.197 -6.955 -6.298
156 HZ1 LYS 18 1HZ LYS 18 6.260 -8.834 -3.992
157 HZ2 LYS 18 2HZ LYS 18 7.410 -7.660 -4.302
158 HZ3 LYS 18 3HZ LYS 18 7.207 -8.941 -5.374
159 H ARG 19 H ARG 19 2.740 -5.447 0.153
160 HA ARG 19 HA ARG 19 1.270 -3.055 -0.158
161 HB2 ARG 19 2HB ARG 19 0.550 -4.982 1.213
162 HB3 ARG 19 1HB ARG 19 1.844 -4.636 2.346
163 HG2 ARG 19 2HG ARG 19 0.821 -2.531 2.929
164 HG3 ARG 19 1HG ARG 19 -0.439 -2.783 1.714
165 HD2 ARG 19 2HD ARG 19 0.092 -4.514 4.120
166 HD3 ARG 19 1HD ARG 19 -1.257 -3.393 3.911
167 HE ARG 19 HE ARG 19 -1.467 -5.014 1.764
168 HH11 ARG 19 1HH1 ARG 19 -1.258 -5.648 5.226
169 HH12 ARG 19 2HH1 ARG 19 -2.186 -7.082 5.147
170 HH21 ARG 19 1HH2 ARG 19 -2.765 -6.943 1.682
171 HH22 ARG 19 2HH2 ARG 19 -3.068 -7.815 3.136
172 H GLU 20 H GLU 20 4.098 -3.926 1.809
173 HA GLU 20 HA GLU 20 4.565 -1.358 2.817
174 HB2 GLU 20 2HB GLU 20 6.465 -3.673 2.424
175 HB3 GLU 20 1HB GLU 20 6.922 -2.177 3.220
176 HG2 GLU 20 2HG GLU 20 5.179 -2.569 4.919
177 HG3 GLU 20 1HG GLU 20 4.778 -4.091 4.127
178 H GLU 21 H GLU 21 5.402 -2.774 -0.308
179 HA GLU 21 HA GLU 21 7.227 -0.863 -1.175
180 HB2 GLU 21 2HB GLU 21 6.765 -3.012 -2.346
181 HB3 GLU 21 1HB GLU 21 5.153 -2.413 -2.734
182 HG2 GLU 21 2HG GLU 21 6.193 -0.541 -3.905
183 HG3 GLU 21 1HG GLU 21 7.760 -1.314 -3.648
184 H CYS 22 H CYS 22 3.712 -1.189 -1.567
185 HA CYS 22 HA CYS 22 3.265 1.222 -2.871
186 HB2 CYS 22 2HB CYS 22 1.512 -0.458 -2.781
187 HB3 CYS 22 1HB CYS 22 1.400 -0.287 -1.029
188 H LYS 23 H LYS 23 3.320 0.441 0.529
189 HA LYS 23 HA LYS 23 2.530 2.764 1.769
190 HB2 LYS 23 2HB LYS 23 3.076 0.589 2.813
191 HB3 LYS 23 1HB LYS 23 4.773 0.899 2.530
192 HG2 LYS 23 2HG LYS 23 4.647 2.811 4.070
193 HG3 LYS 23 1HG LYS 23 2.953 2.408 4.391
194 HD2 LYS 23 2HD LYS 23 3.641 0.168 5.139
195 HD3 LYS 23 1HD LYS 23 5.323 0.595 4.847
196 HE2 LYS 23 2HE LYS 23 4.892 0.801 7.180
197 HE3 LYS 23 1HE LYS 23 5.078 2.418 6.513
198 HZ1 LYS 23 1HZ LYS 23 3.238 2.328 8.032
199 HZ2 LYS 23 2HZ LYS 23 2.541 1.058 7.192
200 HZ3 LYS 23 3HZ LYS 23 2.605 2.583 6.484
201 H ARG 24 H ARG 24 5.623 2.029 0.252
202 HA ARG 24 HA ARG 24 6.856 4.543 1.058
203 HB2 ARG 24 2HB ARG 24 7.837 2.229 -0.600
204 HB3 ARG 24 1HB ARG 24 8.789 3.661 -0.252
205 HG2 ARG 24 2HG ARG 24 8.782 3.152 2.095
206 HG3 ARG 24 1HG ARG 24 7.679 1.800 1.828
207 HD2 ARG 24 2HD ARG 24 10.036 1.087 2.101
208 HD3 ARG 24 1HD ARG 24 9.351 0.624 0.544
209 HE ARG 24 HE ARG 24 10.644 3.107 0.319
210 HH11 ARG 24 1HH1 ARG 24 11.493 -0.322 0.768
211 HH12 ARG 24 2HH1 ARG 24 12.947 -0.205 -0.095
212 HH21 ARG 24 1HH2 ARG 24 12.693 3.228 -0.846
213 HH22 ARG 24 2HH2 ARG 24 13.654 1.817 -0.974
214 H LYS 25 H LYS 25 5.131 3.246 -1.622
215 HA LYS 25 HA LYS 25 6.416 5.013 -3.556
216 HB2 LYS 25 2HB LYS 25 6.111 2.666 -4.106
217 HB3 LYS 25 1HB LYS 25 4.380 2.818 -3.900
218 HG2 LYS 25 2HG LYS 25 4.262 4.314 -5.823
219 HG3 LYS 25 1HG LYS 25 6.014 4.217 -6.014
220 HD2 LYS 25 2HD LYS 25 4.147 1.847 -6.152
221 HD3 LYS 25 1HD LYS 25 4.750 2.719 -7.561
222 HE2 LYS 25 2HE LYS 25 7.035 2.128 -6.971
223 HE3 LYS 25 1HE LYS 25 6.483 1.317 -5.510
224 HZ1 LYS 25 1HZ LYS 25 5.486 -0.397 -6.777
225 HZ2 LYS 25 2HZ LYS 25 6.986 -0.125 -7.505
226 HZ3 LYS 25 3HZ LYS 25 5.605 0.484 -8.209
227 H ALA 26 H ALA 26 3.321 4.521 -2.010
228 HA ALA 26 HA ALA 26 2.107 6.622 -3.580
229 HB1 ALA 26 1HB ALA 26 1.003 4.923 -1.353
230 HB2 ALA 26 2HB ALA 26 0.799 4.624 -3.079
231 HB3 ALA 26 3HB ALA 26 0.070 6.049 -2.335