NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
577838 |
2mcr   |
19450 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA VAL 1 HA VAL 1 -1.310 12.022 4.137
2 HB VAL 1 HB VAL 1 -2.222 10.862 6.035
3 HG11 VAL 1 HG11 VAL 1 -4.595 12.528 5.303
4 HG12 VAL 1 HG12 VAL 1 -3.021 13.322 5.372
5 HG13 VAL 1 HG13 VAL 1 -3.659 12.503 6.799
6 HG21 VAL 1 HG21 VAL 1 -4.734 10.175 5.851
7 HG22 VAL 1 HG22 VAL 1 -3.520 9.122 5.121
8 HG23 VAL 1 HG23 VAL 1 -4.454 10.227 4.109
9 H CYS 2 H CYS 2 -1.307 9.367 5.197
10 HA CYS 2 HA CYS 2 -0.928 7.786 2.681
11 HB2 CYS 2 HB3 CYS 2 0.869 6.605 3.851
12 HB3 CYS 2 HB2 CYS 2 1.176 8.340 3.914
13 H GLU 3 H GLU 3 -2.225 6.002 2.539
14 HA GLU 3 HA GLU 3 -2.932 4.448 4.902
15 HB2 GLU 3 HB3 GLU 3 -5.290 4.850 4.918
16 HB3 GLU 3 HB2 GLU 3 -4.531 6.443 4.902
17 HG2 GLU 3 HG3 GLU 3 -4.772 6.446 2.392
18 HG3 GLU 3 HG2 GLU 3 -5.721 4.966 2.538
19 H ASP 4 H ASP 4 -4.152 2.489 4.295
20 HA ASP 4 HA ASP 4 -3.233 1.374 1.841
21 HB2 ASP 4 HB3 ASP 4 -4.727 -0.519 2.352
22 HB3 ASP 4 HB2 ASP 4 -3.830 -0.016 3.784
23 H LEU 5 H LEU 5 -4.225 1.115 -0.155
24 HA LEU 5 HA LEU 5 -6.684 2.754 -0.569
25 HB2 LEU 5 HB3 LEU 5 -4.605 1.731 -2.531
26 HB3 LEU 5 HB2 LEU 5 -6.028 2.670 -2.981
27 HG LEU 5 HG LEU 5 -3.869 3.603 -1.062
28 HD11 LEU 5 HD11 LEU 5 -4.028 5.255 -3.346
29 HD12 LEU 5 HD12 LEU 5 -4.024 3.599 -3.954
30 HD13 LEU 5 HD13 LEU 5 -2.711 4.162 -2.917
31 HD21 LEU 5 HD21 LEU 5 -5.719 4.838 -0.423
32 HD22 LEU 5 HD22 LEU 5 -6.492 4.691 -2.000
33 HD23 LEU 5 HD23 LEU 5 -5.164 5.831 -1.770
34 H ASN 6 H ASN 6 -5.342 -0.473 -0.886
35 HA ASN 6 HA ASN 6 -7.910 -1.407 -2.079
36 HB2 ASN 6 HB3 ASN 6 -5.562 -2.003 -3.054
37 HB3 ASN 6 HB2 ASN 6 -5.478 -3.140 -1.706
38 HD21 ASN 6 HD21 ASN 6 -6.324 -5.166 -2.180
39 HD22 ASN 6 HD22 ASN 6 -7.515 -5.482 -3.347
40 H ALA 7 H ALA 7 -9.188 -2.897 -0.961
41 HA ALA 7 HA ALA 7 -8.924 -2.977 1.908
42 HB1 ALA 7 HB1 ALA 7 -10.990 -3.992 1.890
43 HB2 ALA 7 HB2 ALA 7 -10.588 -5.025 0.519
44 HB3 ALA 7 HB3 ALA 7 -11.011 -3.334 0.255
45 H HIS 8 H HIS 8 -7.589 -4.884 -0.623
46 HA HIS 8 HA HIS 8 -7.086 -7.182 1.180
47 HB2 HIS 8 HB3 HIS 8 -6.381 -6.765 -1.742
48 HB3 HIS 8 HB2 HIS 8 -6.151 -8.259 -0.839
49 HD2 HIS 8 HD2 HIS 8 -9.288 -7.653 0.667
50 HE1 HIS 8 HE1 HIS 8 -10.543 -8.713 -3.223
51 HE2 HIS 8 HE2 HIS 8 -11.292 -8.414 -0.818
52 H CYS 9 H CYS 9 -5.741 -4.282 0.978
53 HA CYS 9 HA CYS 9 -3.016 -4.569 0.376
54 HB2 CYS 9 HB3 CYS 9 -4.546 -2.869 2.309
55 HB3 CYS 9 HB2 CYS 9 -2.785 -2.886 2.414
56 H GLU 10 H GLU 10 -4.602 -5.166 3.535
57 HA GLU 10 HA GLU 10 -2.247 -6.100 4.855
58 HB2 GLU 10 HB3 GLU 10 -4.412 -5.510 5.993
59 HB3 GLU 10 HB2 GLU 10 -5.101 -7.002 5.350
60 HG2 GLU 10 HG3 GLU 10 -3.292 -8.284 6.497
61 HG3 GLU 10 HG2 GLU 10 -2.720 -6.777 7.215
62 H MET 11 H MET 11 -4.690 -7.734 2.891
63 HA MET 11 HA MET 11 -3.811 -10.410 3.319
64 HB2 MET 11 HB3 MET 11 -5.123 -9.167 0.890
65 HB3 MET 11 HB2 MET 11 -4.987 -10.899 1.186
66 HG2 MET 11 HG3 MET 11 -6.434 -8.901 2.952
67 HG3 MET 11 HG2 MET 11 -7.197 -10.085 1.891
68 HE1 MET 11 HE1 MET 11 -6.749 -12.390 1.855
69 HE2 MET 11 HE2 MET 11 -6.592 -13.427 3.272
70 HE3 MET 11 HE3 MET 11 -5.146 -12.793 2.490
71 H TRP 12 H TRP 12 -2.688 -7.899 1.097
72 HA TRP 12 HA TRP 12 -0.902 -9.777 -0.290
73 HB2 TRP 12 HB3 TRP 12 -1.049 -6.758 -0.458
74 HB3 TRP 12 HB2 TRP 12 -0.196 -7.814 -1.572
75 HD1 TRP 12 HD1 TRP 12 -2.755 -9.997 -1.413
76 HE1 TRP 12 HE1 TRP 12 -4.763 -9.473 -2.939
77 HE3 TRP 12 HE3 TRP 12 -1.919 -5.038 -2.293
78 HZ2 TRP 12 HZ2 TRP 12 -5.870 -7.241 -4.350
79 HZ3 TRP 12 HZ3 TRP 12 -3.464 -3.737 -3.728
80 HH2 TRP 12 HH2 TRP 12 -5.436 -4.829 -4.757
81 H GLN 13 H GLN 13 -0.548 -7.067 2.005
82 HA GLN 13 HA GLN 13 2.318 -7.165 2.071
83 HB2 GLN 13 HB3 GLN 13 2.173 -5.598 3.794
84 HB3 GLN 13 HB2 GLN 13 0.647 -5.350 2.947
85 HG2 GLN 13 HG3 GLN 13 -0.059 -5.510 5.173
86 HG3 GLN 13 HG2 GLN 13 -0.267 -7.162 4.605
87 HE21 GLN 13 HE21 GLN 13 0.137 -8.158 6.678
88 HE22 GLN 13 HE22 GLN 13 1.664 -8.116 7.420
89 H GLN 14 H GLN 14 -0.193 -8.848 3.900
90 HA GLN 14 HA GLN 14 1.570 -9.978 5.860
91 HB2 GLN 14 HB3 GLN 14 -0.250 -11.328 6.501
92 HB3 GLN 14 HB2 GLN 14 -1.028 -9.895 5.826
93 HG2 GLN 14 HG3 GLN 14 -1.068 -11.146 3.599
94 HG3 GLN 14 HG2 GLN 14 -0.652 -12.592 4.520
95 HE21 GLN 14 HE21 GLN 14 -2.733 -9.975 5.755
96 HE22 GLN 14 HE22 GLN 14 -4.151 -10.903 5.820
97 H LEU 15 H LEU 15 0.880 -10.728 2.542
98 HA LEU 15 HA LEU 15 2.167 -13.379 2.711
99 HB2 LEU 15 HB3 LEU 15 1.091 -11.809 0.354
100 HB3 LEU 15 HB2 LEU 15 1.711 -13.459 0.266
101 HG LEU 15 HG LEU 15 -0.626 -12.552 1.971
102 HD11 LEU 15 HD11 LEU 15 -2.025 -13.727 0.391
103 HD12 LEU 15 HD12 LEU 15 -0.614 -14.318 -0.491
104 HD13 LEU 15 HD13 LEU 15 -1.019 -12.601 -0.523
105 HD21 LEU 15 HD21 LEU 15 0.152 -14.395 3.123
106 HD22 LEU 15 HD22 LEU 15 0.916 -15.093 1.695
107 HD23 LEU 15 HD23 LEU 15 -0.830 -15.214 1.907
108 H GLY 16 H GLY 16 3.173 -10.190 2.477
109 HA2 GLY 16 HA3 GLY 16 5.506 -9.583 2.387
110 HA3 GLY 16 HA2 GLY 16 5.835 -11.085 1.526
111 H HIS 17 H HIS 17 3.098 -9.447 0.297
112 HA HIS 17 HA HIS 17 4.184 -9.092 -2.286
113 HB2 HIS 17 HB3 HIS 17 1.890 -7.749 -0.857
114 HB3 HIS 17 HB2 HIS 17 2.313 -7.320 -2.515
115 HD2 HIS 17 HD2 HIS 17 2.363 -11.046 -1.188
116 HE1 HIS 17 HE1 HIS 17 -0.578 -10.725 -4.200
117 HE2 HIS 17 HE2 HIS 17 0.637 -12.335 -2.660
118 H CYS 18 H CYS 18 4.318 -6.983 0.537
119 HA CYS 18 HA CYS 18 5.339 -4.688 -0.934
120 HB2 CYS 18 HB3 CYS 18 4.959 -5.440 1.930
121 HB3 CYS 18 HB2 CYS 18 6.173 -4.210 1.581
122 H GLN 19 H GLN 19 6.698 -7.347 0.946
123 HA GLN 19 HA GLN 19 9.446 -6.500 0.679
124 HB2 GLN 19 HB3 GLN 19 8.573 -8.106 2.421
125 HB3 GLN 19 HB2 GLN 19 8.383 -9.301 1.137
126 HG2 GLN 19 HG3 GLN 19 10.853 -8.905 0.598
127 HG3 GLN 19 HG2 GLN 19 10.945 -8.041 2.133
128 HE21 GLN 19 HE21 GLN 19 11.984 -9.491 3.540
129 HE22 GLN 19 HE22 GLN 19 11.509 -11.104 3.775
130 H TYR 20 H TYR 20 7.230 -8.471 -1.191
131 HA TYR 20 HA TYR 20 9.386 -9.231 -3.074
132 HB2 TYR 20 HB3 TYR 20 6.460 -10.011 -3.070
133 HB3 TYR 20 HB2 TYR 20 7.744 -10.757 -4.022
134 HD1 TYR 20 HD1 TYR 20 9.951 -10.941 -2.048
135 HD2 TYR 20 HD2 TYR 20 5.743 -11.678 -1.576
136 HE1 TYR 20 HE1 TYR 20 10.431 -12.480 -0.168
137 HE2 TYR 20 HE2 TYR 20 6.230 -13.220 0.305
138 HH TYR 20 HH TYR 20 7.899 -13.759 1.853
139 H SER 21 H SER 21 6.147 -7.678 -3.224
140 HA SER 21 HA SER 21 7.110 -6.322 -5.714
141 HB2 SER 21 HB3 SER 21 5.356 -8.099 -6.090
142 HB3 SER 21 HB2 SER 21 4.249 -7.121 -5.132
143 HG SER 21 HG SER 21 4.558 -6.892 -7.633
144 HA PRO 22 HA PRO 22 5.745 -3.157 -2.571
145 HB2 PRO 22 HB3 PRO 22 8.053 -1.671 -2.670
146 HB3 PRO 22 HB2 PRO 22 7.774 -2.991 -1.519
147 HG2 PRO 22 HG3 PRO 22 9.413 -2.939 -3.977
148 HG3 PRO 22 HG2 PRO 22 9.631 -3.867 -2.486
149 HD2 PRO 22 HD3 PRO 22 8.625 -4.896 -4.871
150 HD3 PRO 22 HD2 PRO 22 8.406 -5.632 -3.271
151 H LYS 23 H LYS 23 6.975 -3.143 -5.788
152 HA LYS 23 HA LYS 23 6.809 -0.391 -6.463
153 HB2 LYS 23 HB3 LYS 23 6.171 -2.757 -8.245
154 HB3 LYS 23 HB2 LYS 23 6.657 -1.146 -8.773
155 HG2 LYS 23 HG3 LYS 23 8.361 -2.944 -7.027
156 HG3 LYS 23 HG2 LYS 23 8.538 -2.808 -8.775
157 HD2 LYS 23 HD3 LYS 23 8.881 -0.331 -8.474
158 HD3 LYS 23 HD2 LYS 23 8.900 -0.599 -6.733
159 HE2 LYS 23 HE3 LYS 23 10.677 -2.408 -8.220
160 HE3 LYS 23 HE2 LYS 23 11.119 -0.705 -8.354
161 HZ1 LYS 23 HZ1 LYS 23 10.454 -1.088 -5.715
162 HZ2 LYS 23 HZ2 LYS 23 12.018 -0.905 -6.352
163 HZ3 LYS 23 HZ3 LYS 23 11.364 -2.458 -6.129
164 H TYR 24 H TYR 24 4.261 -2.859 -6.278
165 HA TYR 24 HA TYR 24 2.312 -0.807 -7.213
166 HB2 TYR 24 HB3 TYR 24 1.872 -3.766 -6.724
167 HB3 TYR 24 HB2 TYR 24 0.768 -2.655 -7.536
168 HD1 TYR 24 HD1 TYR 24 4.171 -4.170 -7.751
169 HD2 TYR 24 HD2 TYR 24 0.990 -2.184 -9.849
170 HE1 TYR 24 HE1 TYR 24 5.316 -4.612 -9.907
171 HE2 TYR 24 HE2 TYR 24 2.137 -2.622 -12.003
172 HH TYR 24 HH TYR 24 5.365 -3.669 -12.187
173 H MET 25 H MET 25 3.397 -2.441 -4.365
174 HA MET 25 HA MET 25 0.929 -2.088 -2.855
175 HB2 MET 25 HB3 MET 25 3.789 -2.568 -1.973
176 HB3 MET 25 HB2 MET 25 2.410 -2.544 -0.882
177 HG2 MET 25 HG3 MET 25 2.716 -4.410 -3.250
178 HG3 MET 25 HG2 MET 25 3.008 -4.856 -1.571
179 HE1 MET 25 HE1 MET 25 1.321 -5.313 0.170
180 HE2 MET 25 HE2 MET 25 -0.355 -4.774 0.146
181 HE3 MET 25 HE3 MET 25 0.940 -3.588 0.169
182 H GLY 26 H GLY 26 3.995 -0.336 -3.189
183 HA2 GLY 26 HA3 GLY 26 3.463 1.686 -1.257
184 HA3 GLY 26 HA2 GLY 26 4.562 1.863 -2.627
185 H HIS 27 H HIS 27 2.347 1.210 -4.527
186 HA HIS 27 HA HIS 27 1.316 3.952 -4.758
187 HB2 HIS 27 HB3 HIS 27 2.171 2.692 -6.742
188 HB3 HIS 27 HB2 HIS 27 0.835 1.558 -6.554
189 HD2 HIS 27 HD2 HIS 27 -1.728 2.605 -7.255
190 HE1 HIS 27 HE1 HIS 27 -0.291 6.278 -8.760
191 HE2 HIS 27 HE2 HIS 27 -2.326 4.776 -8.569
192 H TYR 28 H TYR 28 0.270 0.979 -3.449
193 HA TYR 28 HA TYR 28 -2.547 1.984 -3.434
194 HB2 TYR 28 HB3 TYR 28 -1.423 -0.775 -3.788
195 HB3 TYR 28 HB2 TYR 28 -3.019 -0.571 -3.062
196 HD1 TYR 28 HD2 TYR 28 -0.984 -0.025 -6.098
197 HD2 TYR 28 HD1 TYR 28 -4.897 0.248 -4.348
198 HE1 TYR 28 HE2 TYR 28 -1.967 0.318 -8.351
199 HE2 TYR 28 HE1 TYR 28 -5.879 0.592 -6.600
200 HH TYR 28 HH TYR 28 -5.402 0.267 -8.882
201 H CYS 29 H CYS 29 -0.241 -0.088 -1.651
202 HA CYS 29 HA CYS 29 -1.701 0.641 0.841
203 HB2 CYS 29 HB3 CYS 29 0.403 -1.493 0.646
204 HB3 CYS 29 HB2 CYS 29 -0.945 -1.365 1.775
205 H LYS 30 H LYS 30 -0.771 2.354 1.849
206 HA LYS 30 HA LYS 30 2.111 2.875 1.516
207 HB2 LYS 30 HB3 LYS 30 0.372 4.493 3.335
208 HB3 LYS 30 HB2 LYS 30 1.666 5.028 2.266
209 HG2 LYS 30 HG3 LYS 30 -1.087 4.086 1.410
210 HG3 LYS 30 HG2 LYS 30 -0.504 5.747 1.375
211 HD2 LYS 30 HD3 LYS 30 0.881 3.527 -0.149
212 HD3 LYS 30 HD2 LYS 30 -0.436 4.463 -0.845
213 HE2 LYS 30 HE3 LYS 30 2.193 5.561 0.189
214 HE3 LYS 30 HE2 LYS 30 1.683 5.472 -1.494
215 HZ1 LYS 30 HZ1 LYS 30 0.848 7.491 -1.186
216 HZ2 LYS 30 HZ2 LYS 30 1.021 7.406 0.503
217 HZ3 LYS 30 HZ3 LYS 30 -0.362 6.767 -0.249
218 H LYS 31 H LYS 31 -0.150 2.467 4.255
219 HA LYS 31 HA LYS 31 1.856 2.264 6.288
220 HB2 LYS 31 HB3 LYS 31 -0.980 1.224 6.101
221 HB3 LYS 31 HB2 LYS 31 -0.006 1.096 7.563
222 HG2 LYS 31 HG3 LYS 31 -0.012 3.388 7.937
223 HG3 LYS 31 HG2 LYS 31 -0.260 3.768 6.232
224 HD2 LYS 31 HD3 LYS 31 -2.380 4.200 7.010
225 HD3 LYS 31 HD2 LYS 31 -2.567 2.483 6.673
226 HE2 LYS 31 HE3 LYS 31 -1.900 3.723 9.360
227 HE3 LYS 31 HE2 LYS 31 -3.430 2.977 8.905
228 HZ1 LYS 31 HZ1 LYS 31 -0.959 1.748 9.711
229 HZ2 LYS 31 HZ2 LYS 31 -1.627 1.058 8.308
230 HZ3 LYS 31 HZ3 LYS 31 -2.538 1.129 9.739
231 H ALA 32 H ALA 32 0.037 -0.196 4.498
232 HA ALA 32 HA ALA 32 1.180 -2.492 5.681
233 HB1 ALA 32 HB1 ALA 32 0.645 -2.611 2.763
234 HB2 ALA 32 HB2 ALA 32 -0.698 -2.077 3.779
235 HB3 ALA 32 HB3 ALA 32 0.050 -3.642 4.063
236 H CYS 33 H CYS 33 2.515 -0.222 3.417
237 HA CYS 33 HA CYS 33 4.848 -2.027 2.972
238 HB2 CYS 33 HB3 CYS 33 3.401 -0.222 1.269
239 HB3 CYS 33 HB2 CYS 33 5.059 0.339 1.424
240 H GLY 34 H GLY 34 6.870 -0.323 2.561
241 HA2 GLY 34 HA3 GLY 34 7.332 0.765 5.227
242 HA3 GLY 34 HA2 GLY 34 8.485 0.767 3.895
243 H LEU 35 H LEU 35 5.208 2.112 3.582
244 HA LEU 35 HA LEU 35 6.521 4.750 3.113
245 HB2 LEU 35 HB3 LEU 35 3.658 3.967 2.532
246 HB3 LEU 35 HB2 LEU 35 4.522 5.377 1.923
247 HG LEU 35 HG LEU 35 4.945 2.479 1.205
248 HD11 LEU 35 HD11 LEU 35 4.330 5.014 -0.324
249 HD12 LEU 35 HD12 LEU 35 3.303 3.592 -0.148
250 HD13 LEU 35 HD13 LEU 35 4.779 3.501 -1.107
251 HD21 LEU 35 HD21 LEU 35 7.172 3.237 1.512
252 HD22 LEU 35 HD22 LEU 35 6.799 4.840 0.878
253 HD23 LEU 35 HD23 LEU 35 6.866 3.456 -0.210
254 H CYS 36 H CYS 36 4.347 3.062 5.235
255 HA CYS 36 HA CYS 36 4.391 5.335 7.089
256 HB2 CYS 36 HB3 CYS 36 2.127 4.851 5.336
257 HB3 CYS 36 HB2 CYS 36 1.661 4.692 7.029
Start of MODEL 2
1 HA VAL 1 HA VAL 1 -1.223 11.763 4.397
2 HB VAL 1 HB VAL 1 -3.561 12.472 4.112
3 HG11 VAL 1 HG11 VAL 1 -3.600 11.726 1.664
4 HG12 VAL 1 HG12 VAL 1 -5.054 11.374 2.601
5 HG13 VAL 1 HG13 VAL 1 -3.887 10.093 2.270
6 HG21 VAL 1 HG21 VAL 1 -3.713 9.481 4.376
7 HG22 VAL 1 HG22 VAL 1 -4.495 10.725 5.354
8 HG23 VAL 1 HG23 VAL 1 -2.774 10.396 5.556
9 H CYS 2 H CYS 2 -1.412 9.390 4.898
10 HA CYS 2 HA CYS 2 -0.796 7.697 2.511
11 HB2 CYS 2 HB3 CYS 2 0.988 6.616 3.750
12 HB3 CYS 2 HB2 CYS 2 1.261 8.357 3.813
13 H GLU 3 H GLU 3 -2.139 5.927 2.453
14 HA GLU 3 HA GLU 3 -2.852 4.481 4.871
15 HB2 GLU 3 HB3 GLU 3 -5.183 4.910 4.966
16 HB3 GLU 3 HB2 GLU 3 -4.441 6.504 4.808
17 HG2 GLU 3 HG3 GLU 3 -4.811 6.368 2.334
18 HG3 GLU 3 HG2 GLU 3 -5.681 4.856 2.584
19 H ASP 4 H ASP 4 -4.124 2.521 4.368
20 HA ASP 4 HA ASP 4 -3.281 1.267 1.957
21 HB2 ASP 4 HB3 ASP 4 -4.941 -0.502 2.552
22 HB3 ASP 4 HB2 ASP 4 -3.890 -0.065 3.897
23 H LEU 5 H LEU 5 -4.189 1.188 -0.067
24 HA LEU 5 HA LEU 5 -6.677 2.778 -0.471
25 HB2 LEU 5 HB3 LEU 5 -4.581 1.793 -2.432
26 HB3 LEU 5 HB2 LEU 5 -6.005 2.729 -2.879
27 HG LEU 5 HG LEU 5 -3.898 3.651 -0.906
28 HD11 LEU 5 HD11 LEU 5 -3.913 5.321 -3.151
29 HD12 LEU 5 HD12 LEU 5 -3.999 3.693 -3.822
30 HD13 LEU 5 HD13 LEU 5 -2.672 4.137 -2.747
31 HD21 LEU 5 HD21 LEU 5 -6.490 4.727 -1.931
32 HD22 LEU 5 HD22 LEU 5 -5.177 5.876 -1.675
33 HD23 LEU 5 HD23 LEU 5 -5.759 4.892 -0.334
34 H ASN 6 H ASN 6 -5.326 -0.443 -0.822
35 HA ASN 6 HA ASN 6 -7.876 -1.354 -2.064
36 HB2 ASN 6 HB3 ASN 6 -5.532 -1.956 -3.020
37 HB3 ASN 6 HB2 ASN 6 -5.446 -3.088 -1.669
38 HD21 ASN 6 HD21 ASN 6 -6.429 -5.090 -1.999
39 HD22 ASN 6 HD22 ASN 6 -7.555 -5.430 -3.223
40 H ALA 7 H ALA 7 -9.153 -2.881 -1.011
41 HA ALA 7 HA ALA 7 -8.969 -2.989 1.864
42 HB1 ALA 7 HB1 ALA 7 -10.624 -4.691 -0.027
43 HB2 ALA 7 HB2 ALA 7 -11.121 -3.137 0.643
44 HB3 ALA 7 HB3 ALA 7 -10.889 -4.523 1.708
45 H HIS 8 H HIS 8 -7.578 -4.895 -0.662
46 HA HIS 8 HA HIS 8 -7.110 -7.191 1.154
47 HB2 HIS 8 HB3 HIS 8 -6.408 -6.771 -1.763
48 HB3 HIS 8 HB2 HIS 8 -6.078 -8.243 -0.859
49 HD2 HIS 8 HD2 HIS 8 -9.314 -7.561 0.594
50 HE1 HIS 8 HE1 HIS 8 -10.372 -9.205 -3.149
51 HE2 HIS 8 HE2 HIS 8 -11.225 -8.620 -0.833
52 H CYS 9 H CYS 9 -5.736 -4.298 0.982
53 HA CYS 9 HA CYS 9 -3.011 -4.601 0.414
54 HB2 CYS 9 HB3 CYS 9 -4.531 -2.938 2.393
55 HB3 CYS 9 HB2 CYS 9 -2.770 -2.961 2.470
56 H GLU 10 H GLU 10 -4.679 -5.309 3.498
57 HA GLU 10 HA GLU 10 -2.350 -6.236 4.873
58 HB2 GLU 10 HB3 GLU 10 -4.585 -5.684 5.924
59 HB3 GLU 10 HB2 GLU 10 -5.194 -7.207 5.277
60 HG2 GLU 10 HG3 GLU 10 -4.488 -7.643 7.533
61 HG3 GLU 10 HG2 GLU 10 -3.281 -8.362 6.468
62 H MET 11 H MET 11 -4.735 -7.868 2.831
63 HA MET 11 HA MET 11 -3.818 -10.540 3.214
64 HB2 MET 11 HB3 MET 11 -5.965 -9.823 2.083
65 HB3 MET 11 HB2 MET 11 -4.996 -9.389 0.677
66 HG2 MET 11 HG3 MET 11 -4.129 -11.741 0.616
67 HG3 MET 11 HG2 MET 11 -5.243 -12.143 1.921
68 HE1 MET 11 HE1 MET 11 -7.483 -11.631 2.006
69 HE2 MET 11 HE2 MET 11 -8.624 -12.027 0.723
70 HE3 MET 11 HE3 MET 11 -8.074 -10.364 0.922
71 H TRP 12 H TRP 12 -2.698 -7.946 1.107
72 HA TRP 12 HA TRP 12 -0.861 -9.735 -0.329
73 HB2 TRP 12 HB3 TRP 12 -1.040 -6.717 -0.412
74 HB3 TRP 12 HB2 TRP 12 -0.213 -7.747 -1.565
75 HD1 TRP 12 HD1 TRP 12 -2.815 -9.911 -1.345
76 HE1 TRP 12 HE1 TRP 12 -4.832 -9.356 -2.854
77 HE3 TRP 12 HE3 TRP 12 -1.885 -4.980 -2.283
78 HZ2 TRP 12 HZ2 TRP 12 -5.907 -7.112 -4.272
79 HZ3 TRP 12 HZ3 TRP 12 -3.420 -3.656 -3.714
80 HH2 TRP 12 HH2 TRP 12 -5.429 -4.717 -4.705
81 H GLN 13 H GLN 13 -0.576 -7.090 2.052
82 HA GLN 13 HA GLN 13 2.300 -7.159 2.116
83 HB2 GLN 13 HB3 GLN 13 2.138 -5.595 3.835
84 HB3 GLN 13 HB2 GLN 13 0.604 -5.363 2.998
85 HG2 GLN 13 HG3 GLN 13 -0.084 -5.539 5.228
86 HG3 GLN 13 HG2 GLN 13 -0.276 -7.194 4.655
87 HE21 GLN 13 HE21 GLN 13 0.198 -8.265 6.655
88 HE22 GLN 13 HE22 GLN 13 1.712 -8.169 7.413
89 H GLN 14 H GLN 14 -0.206 -8.879 3.893
90 HA GLN 14 HA GLN 14 1.518 -9.999 5.891
91 HB2 GLN 14 HB3 GLN 14 -0.293 -11.414 6.445
92 HB3 GLN 14 HB2 GLN 14 -1.065 -9.960 5.810
93 HG2 GLN 14 HG3 GLN 14 -1.109 -11.105 3.545
94 HG3 GLN 14 HG2 GLN 14 -0.624 -12.585 4.372
95 HE21 GLN 14 HE21 GLN 14 -2.887 -10.021 5.490
96 HE22 GLN 14 HE22 GLN 14 -4.219 -11.057 5.651
97 H LEU 15 H LEU 15 0.870 -10.806 2.564
98 HA LEU 15 HA LEU 15 2.256 -13.403 2.777
99 HB2 LEU 15 HB3 LEU 15 1.156 -11.887 0.393
100 HB3 LEU 15 HB2 LEU 15 1.845 -13.510 0.317
101 HG LEU 15 HG LEU 15 -0.540 -12.717 2.016
102 HD11 LEU 15 HD11 LEU 15 -0.255 -13.629 -0.783
103 HD12 LEU 15 HD12 LEU 15 -1.585 -12.769 -0.012
104 HD13 LEU 15 HD13 LEU 15 -1.442 -14.520 0.168
105 HD21 LEU 15 HD21 LEU 15 -0.564 -15.447 1.669
106 HD22 LEU 15 HD22 LEU 15 0.078 -14.627 3.093
107 HD23 LEU 15 HD23 LEU 15 1.162 -15.114 1.789
108 H GLY 16 H GLY 16 3.129 -10.168 2.497
109 HA2 GLY 16 HA3 GLY 16 5.435 -9.465 2.452
110 HA3 GLY 16 HA2 GLY 16 5.846 -10.961 1.617
111 H HIS 17 H HIS 17 3.059 -9.412 0.331
112 HA HIS 17 HA HIS 17 4.136 -9.078 -2.252
113 HB2 HIS 17 HB3 HIS 17 1.856 -7.690 -0.847
114 HB3 HIS 17 HB2 HIS 17 2.275 -7.317 -2.520
115 HD2 HIS 17 HD2 HIS 17 2.358 -11.000 -1.110
116 HE1 HIS 17 HE1 HIS 17 -0.643 -10.775 -4.069
117 HE2 HIS 17 HE2 HIS 17 0.615 -12.335 -2.518
118 H CYS 18 H CYS 18 4.330 -6.957 0.541
119 HA CYS 18 HA CYS 18 5.354 -4.682 -0.967
120 HB2 CYS 18 HB3 CYS 18 4.967 -5.391 1.904
121 HB3 CYS 18 HB2 CYS 18 6.206 -4.191 1.542
122 H GLN 19 H GLN 19 6.683 -7.346 0.915
123 HA GLN 19 HA GLN 19 9.449 -6.554 0.638
124 HB2 GLN 19 HB3 GLN 19 8.544 -8.121 2.393
125 HB3 GLN 19 HB2 GLN 19 8.308 -9.321 1.125
126 HG2 GLN 19 HG3 GLN 19 10.720 -9.242 0.599
127 HG3 GLN 19 HG2 GLN 19 10.956 -8.049 1.877
128 HE21 GLN 19 HE21 GLN 19 12.337 -10.499 2.051
129 HE22 GLN 19 HE22 GLN 19 11.681 -11.426 3.312
130 H TYR 20 H TYR 20 7.190 -8.476 -1.241
131 HA TYR 20 HA TYR 20 9.342 -9.281 -3.112
132 HB2 TYR 20 HB3 TYR 20 6.415 -10.058 -2.977
133 HB3 TYR 20 HB2 TYR 20 7.594 -10.731 -4.105
134 HD1 TYR 20 HD1 TYR 20 9.891 -11.486 -2.868
135 HD2 TYR 20 HD2 TYR 20 6.001 -11.308 -1.053
136 HE1 TYR 20 HE1 TYR 20 10.623 -13.110 -1.142
137 HE2 TYR 20 HE2 TYR 20 6.732 -12.936 0.670
138 HH TYR 20 HH TYR 20 9.653 -13.558 1.489
139 H SER 21 H SER 21 6.169 -7.598 -3.216
140 HA SER 21 HA SER 21 7.157 -6.285 -5.716
141 HB2 SER 21 HB3 SER 21 5.281 -8.119 -5.908
142 HB3 SER 21 HB2 SER 21 4.235 -6.829 -5.323
143 HG SER 21 HG SER 21 5.408 -5.565 -7.064
144 HA PRO 22 HA PRO 22 5.736 -3.137 -2.580
145 HB2 PRO 22 HB3 PRO 22 8.001 -1.619 -2.643
146 HB3 PRO 22 HB2 PRO 22 7.793 -2.996 -1.545
147 HG2 PRO 22 HG3 PRO 22 9.296 -2.826 -4.102
148 HG3 PRO 22 HG2 PRO 22 9.698 -3.693 -2.614
149 HD2 PRO 22 HD3 PRO 22 8.648 -4.913 -4.842
150 HD3 PRO 22 HD2 PRO 22 8.434 -5.534 -3.189
151 H LYS 23 H LYS 23 7.046 -3.095 -5.778
152 HA LYS 23 HA LYS 23 6.836 -0.364 -6.472
153 HB2 LYS 23 HB3 LYS 23 7.852 -2.129 -7.903
154 HB3 LYS 23 HB2 LYS 23 6.232 -2.741 -8.249
155 HG2 LYS 23 HG3 LYS 23 5.612 -0.508 -9.159
156 HG3 LYS 23 HG2 LYS 23 7.269 0.035 -8.891
157 HD2 LYS 23 HD3 LYS 23 8.072 -1.811 -10.367
158 HD3 LYS 23 HD2 LYS 23 6.390 -2.227 -10.707
159 HE2 LYS 23 HE3 LYS 23 7.790 0.379 -11.348
160 HE3 LYS 23 HE2 LYS 23 7.162 -0.804 -12.495
161 HZ1 LYS 23 HZ1 LYS 23 5.240 0.266 -12.431
162 HZ2 LYS 23 HZ2 LYS 23 5.805 1.315 -11.218
163 HZ3 LYS 23 HZ3 LYS 23 5.073 -0.158 -10.798
164 H TYR 24 H TYR 24 4.303 -2.843 -6.281
165 HA TYR 24 HA TYR 24 2.340 -0.815 -7.250
166 HB2 TYR 24 HB3 TYR 24 1.910 -3.764 -6.701
167 HB3 TYR 24 HB2 TYR 24 0.818 -2.678 -7.557
168 HD1 TYR 24 HD1 TYR 24 4.058 -4.439 -7.704
169 HD2 TYR 24 HD2 TYR 24 1.245 -2.000 -9.839
170 HE1 TYR 24 HE1 TYR 24 5.260 -4.914 -9.819
171 HE2 TYR 24 HE2 TYR 24 2.445 -2.469 -11.961
172 HH TYR 24 HH TYR 24 5.320 -4.590 -12.007
173 H MET 25 H MET 25 3.426 -2.424 -4.381
174 HA MET 25 HA MET 25 0.951 -2.069 -2.888
175 HB2 MET 25 HB3 MET 25 3.806 -2.536 -1.978
176 HB3 MET 25 HB2 MET 25 2.418 -2.506 -0.898
177 HG2 MET 25 HG3 MET 25 2.764 -4.399 -3.240
178 HG3 MET 25 HG2 MET 25 3.022 -4.823 -1.551
179 HE1 MET 25 HE1 MET 25 -0.406 -4.556 0.086
180 HE2 MET 25 HE2 MET 25 1.068 -3.600 0.137
181 HE3 MET 25 HE3 MET 25 1.166 -5.357 0.158
182 H GLY 26 H GLY 26 4.010 -0.306 -3.221
183 HA2 GLY 26 HA3 GLY 26 3.467 1.715 -1.292
184 HA3 GLY 26 HA2 GLY 26 4.564 1.899 -2.663
185 H HIS 27 H HIS 27 2.299 1.200 -4.530
186 HA HIS 27 HA HIS 27 1.273 3.946 -4.791
187 HB2 HIS 27 HB3 HIS 27 2.096 2.630 -6.764
188 HB3 HIS 27 HB2 HIS 27 0.724 1.542 -6.551
189 HD2 HIS 27 HD2 HIS 27 -1.817 2.685 -7.224
190 HE1 HIS 27 HE1 HIS 27 -0.255 6.273 -8.804
191 HE2 HIS 27 HE2 HIS 27 -2.344 4.856 -8.566
192 H TYR 28 H TYR 28 0.239 1.008 -3.408
193 HA TYR 28 HA TYR 28 -2.570 2.022 -3.378
194 HB2 TYR 28 HB3 TYR 28 -1.473 -0.738 -3.773
195 HB3 TYR 28 HB2 TYR 28 -3.045 -0.539 -2.996
196 HD1 TYR 28 HD2 TYR 28 -1.107 0.019 -6.094
197 HD2 TYR 28 HD1 TYR 28 -4.959 0.316 -4.214
198 HE1 TYR 28 HE2 TYR 28 -2.158 0.390 -8.306
199 HE2 TYR 28 HE1 TYR 28 -6.009 0.689 -6.431
200 HH TYR 28 HH TYR 28 -4.101 1.221 -9.303
201 H CYS 29 H CYS 29 -0.288 -0.108 -1.624
202 HA CYS 29 HA CYS 29 -1.698 0.657 0.885
203 HB2 CYS 29 HB3 CYS 29 0.388 -1.493 0.686
204 HB3 CYS 29 HB2 CYS 29 -0.951 -1.350 1.820
205 H LYS 30 H LYS 30 -0.747 2.364 1.871
206 HA LYS 30 HA LYS 30 2.144 2.844 1.520
207 HB2 LYS 30 HB3 LYS 30 0.465 4.501 3.348
208 HB3 LYS 30 HB2 LYS 30 1.725 5.010 2.229
209 HG2 LYS 30 HG3 LYS 30 -1.070 4.091 1.486
210 HG3 LYS 30 HG2 LYS 30 -0.466 5.741 1.407
211 HD2 LYS 30 HD3 LYS 30 0.871 3.510 -0.129
212 HD3 LYS 30 HD2 LYS 30 -0.504 4.388 -0.790
213 HE2 LYS 30 HE3 LYS 30 2.133 5.584 0.097
214 HE3 LYS 30 HE2 LYS 30 1.544 5.450 -1.558
215 HZ1 LYS 30 HZ1 LYS 30 1.013 7.453 0.349
216 HZ2 LYS 30 HZ2 LYS 30 -0.446 6.696 -0.090
217 HZ3 LYS 30 HZ3 LYS 30 0.549 7.387 -1.280
218 H LYS 31 H LYS 31 -0.119 2.505 4.265
219 HA LYS 31 HA LYS 31 1.868 2.281 6.307
220 HB2 LYS 31 HB3 LYS 31 -0.971 1.254 6.093
221 HB3 LYS 31 HB2 LYS 31 -0.012 1.109 7.563
222 HG2 LYS 31 HG3 LYS 31 0.036 3.419 7.921
223 HG3 LYS 31 HG2 LYS 31 -0.293 3.786 6.228
224 HD2 LYS 31 HD3 LYS 31 -2.418 4.142 6.960
225 HD3 LYS 31 HD2 LYS 31 -2.546 2.388 6.897
226 HE2 LYS 31 HE3 LYS 31 -3.304 3.382 9.074
227 HE3 LYS 31 HE2 LYS 31 -2.010 2.198 9.248
228 HZ1 LYS 31 HZ1 LYS 31 -2.024 4.848 10.088
229 HZ2 LYS 31 HZ2 LYS 31 -0.897 4.751 8.820
230 HZ3 LYS 31 HZ3 LYS 31 -0.743 3.743 10.177
231 H ALA 32 H ALA 32 0.048 -0.185 4.513
232 HA ALA 32 HA ALA 32 1.199 -2.467 5.715
233 HB1 ALA 32 HB1 ALA 32 0.641 -2.619 2.805
234 HB2 ALA 32 HB2 ALA 32 -0.694 -2.072 3.823
235 HB3 ALA 32 HB3 ALA 32 0.057 -3.637 4.121
236 H CYS 33 H CYS 33 2.511 -0.203 3.436
237 HA CYS 33 HA CYS 33 4.855 -1.997 2.995
238 HB2 CYS 33 HB3 CYS 33 3.411 -0.229 1.267
239 HB3 CYS 33 HB2 CYS 33 5.040 0.400 1.462
240 H GLY 34 H GLY 34 6.883 -0.302 2.620
241 HA2 GLY 34 HA3 GLY 34 7.307 0.789 5.287
242 HA3 GLY 34 HA2 GLY 34 8.473 0.811 3.965
243 H LEU 35 H LEU 35 5.202 2.109 3.539
244 HA LEU 35 HA LEU 35 6.488 4.759 3.116
245 HB2 LEU 35 HB3 LEU 35 3.629 3.952 2.556
246 HB3 LEU 35 HB2 LEU 35 4.466 5.377 1.950
247 HG LEU 35 HG LEU 35 4.906 2.488 1.198
248 HD11 LEU 35 HD11 LEU 35 4.743 3.541 -1.103
249 HD12 LEU 35 HD12 LEU 35 4.283 5.039 -0.298
250 HD13 LEU 35 HD13 LEU 35 3.264 3.610 -0.145
251 HD21 LEU 35 HD21 LEU 35 6.756 4.854 0.871
252 HD22 LEU 35 HD22 LEU 35 6.833 3.457 -0.201
253 HD23 LEU 35 HD23 LEU 35 7.133 3.261 1.527
254 H CYS 36 H CYS 36 4.318 3.071 5.248
255 HA CYS 36 HA CYS 36 4.363 5.355 7.087
256 HB2 CYS 36 HB3 CYS 36 2.115 4.863 5.320
257 HB3 CYS 36 HB2 CYS 36 1.631 4.722 7.009
Start of MODEL 3
1 HA VAL 1 HA VAL 1 -0.879 11.147 5.355
2 HB VAL 1 HB VAL 1 -3.116 12.118 5.405
3 HG11 VAL 1 HG11 VAL 1 -3.552 11.808 2.954
4 HG12 VAL 1 HG12 VAL 1 -4.900 11.297 3.970
5 HG13 VAL 1 HG13 VAL 1 -3.825 10.092 3.261
6 HG21 VAL 1 HG21 VAL 1 -4.345 10.200 6.269
7 HG22 VAL 1 HG22 VAL 1 -2.645 10.023 6.707
8 HG23 VAL 1 HG23 VAL 1 -3.313 9.088 5.370
9 H CYS 2 H CYS 2 -0.677 8.899 5.659
10 HA CYS 2 HA CYS 2 -0.586 7.323 3.132
11 HB2 CYS 2 HB3 CYS 2 0.524 5.829 5.247
12 HB3 CYS 2 HB2 CYS 2 1.396 6.638 3.945
13 H GLU 3 H GLU 3 -2.001 5.655 2.839
14 HA GLU 3 HA GLU 3 -3.178 4.230 5.089
15 HB2 GLU 3 HB3 GLU 3 -5.431 4.922 4.876
16 HB3 GLU 3 HB2 GLU 3 -4.514 6.428 4.833
17 HG2 GLU 3 HG3 GLU 3 -4.535 6.277 2.317
18 HG3 GLU 3 HG2 GLU 3 -5.637 4.909 2.463
19 H ASP 4 H ASP 4 -4.381 2.356 4.366
20 HA ASP 4 HA ASP 4 -3.381 1.255 1.913
21 HB2 ASP 4 HB3 ASP 4 -4.922 -0.625 2.386
22 HB3 ASP 4 HB2 ASP 4 -3.969 -0.181 3.803
23 H LEU 5 H LEU 5 -4.371 1.001 -0.086
24 HA LEU 5 HA LEU 5 -6.844 2.624 -0.503
25 HB2 LEU 5 HB3 LEU 5 -4.730 1.703 -2.476
26 HB3 LEU 5 HB2 LEU 5 -6.131 2.691 -2.879
27 HG LEU 5 HG LEU 5 -3.998 3.477 -0.869
28 HD11 LEU 5 HD11 LEU 5 -2.767 4.041 -2.676
29 HD12 LEU 5 HD12 LEU 5 -4.000 5.248 -3.043
30 HD13 LEU 5 HD13 LEU 5 -4.091 3.646 -3.773
31 HD21 LEU 5 HD21 LEU 5 -5.269 5.757 -1.631
32 HD22 LEU 5 HD22 LEU 5 -5.741 4.809 -0.220
33 HD23 LEU 5 HD23 LEU 5 -6.599 4.604 -1.746
34 H ASN 6 H ASN 6 -5.438 -0.561 -0.847
35 HA ASN 6 HA ASN 6 -7.903 -1.518 -2.226
36 HB2 ASN 6 HB3 ASN 6 -5.491 -2.046 -3.049
37 HB3 ASN 6 HB2 ASN 6 -5.447 -3.185 -1.703
38 HD21 ASN 6 HD21 ASN 6 -6.321 -5.220 -2.117
39 HD22 ASN 6 HD22 ASN 6 -7.359 -5.586 -3.409
40 H ALA 7 H ALA 7 -9.220 -3.075 -1.244
41 HA ALA 7 HA ALA 7 -9.238 -3.205 1.622
42 HB1 ALA 7 HB1 ALA 7 -10.678 -5.425 0.721
43 HB2 ALA 7 HB2 ALA 7 -10.831 -4.252 -0.586
44 HB3 ALA 7 HB3 ALA 7 -11.336 -3.822 1.047
45 H HIS 8 H HIS 8 -7.714 -5.131 -0.847
46 HA HIS 8 HA HIS 8 -7.027 -7.265 1.087
47 HB2 HIS 8 HB3 HIS 8 -6.508 -6.953 -1.884
48 HB3 HIS 8 HB2 HIS 8 -5.961 -8.329 -0.932
49 HD2 HIS 8 HD2 HIS 8 -9.068 -8.114 0.781
50 HE1 HIS 8 HE1 HIS 8 -10.359 -9.684 -2.919
51 HE2 HIS 8 HE2 HIS 8 -10.997 -9.317 -0.493
52 H CYS 9 H CYS 9 -5.941 -4.345 0.930
53 HA CYS 9 HA CYS 9 -3.205 -4.345 0.227
54 HB2 CYS 9 HB3 CYS 9 -4.954 -2.785 2.028
55 HB3 CYS 9 HB2 CYS 9 -3.245 -2.756 2.457
56 H GLU 10 H GLU 10 -4.589 -4.891 3.478
57 HA GLU 10 HA GLU 10 -2.144 -5.748 4.675
58 HB2 GLU 10 HB3 GLU 10 -5.041 -6.297 5.369
59 HB3 GLU 10 HB2 GLU 10 -3.689 -6.770 6.399
60 HG2 GLU 10 HG3 GLU 10 -2.961 -4.410 6.517
61 HG3 GLU 10 HG2 GLU 10 -4.323 -3.944 5.499
62 H MET 11 H MET 11 -4.669 -7.461 2.917
63 HA MET 11 HA MET 11 -3.821 -10.126 3.504
64 HB2 MET 11 HB3 MET 11 -5.992 -9.476 2.414
65 HB3 MET 11 HB2 MET 11 -5.087 -9.132 0.941
66 HG2 MET 11 HG3 MET 11 -4.231 -11.473 0.964
67 HG3 MET 11 HG2 MET 11 -5.256 -11.802 2.363
68 HE1 MET 11 HE1 MET 11 -8.762 -11.565 1.293
69 HE2 MET 11 HE2 MET 11 -8.026 -9.974 1.460
70 HE3 MET 11 HE3 MET 11 -7.537 -11.278 2.539
71 H TRP 12 H TRP 12 -2.680 -7.714 1.224
72 HA TRP 12 HA TRP 12 -0.970 -9.632 -0.201
73 HB2 TRP 12 HB3 TRP 12 -1.110 -6.612 -0.358
74 HB3 TRP 12 HB2 TRP 12 -0.238 -7.652 -1.471
75 HD1 TRP 12 HD1 TRP 12 -2.870 -9.820 -1.176
76 HE1 TRP 12 HE1 TRP 12 -4.840 -9.338 -2.767
77 HE3 TRP 12 HE3 TRP 12 -1.855 -4.969 -2.391
78 HZ2 TRP 12 HZ2 TRP 12 -5.854 -7.176 -4.344
79 HZ3 TRP 12 HZ3 TRP 12 -3.333 -3.721 -3.935
80 HH2 TRP 12 HH2 TRP 12 -5.331 -4.817 -4.912
81 H GLN 13 H GLN 13 -0.512 -6.944 2.107
82 HA GLN 13 HA GLN 13 2.355 -7.091 2.092
83 HB2 GLN 13 HB3 GLN 13 2.284 -5.539 3.839
84 HB3 GLN 13 HB2 GLN 13 0.748 -5.248 3.027
85 HG2 GLN 13 HG3 GLN 13 0.114 -5.405 5.280
86 HG3 GLN 13 HG2 GLN 13 -0.193 -7.032 4.681
87 HE21 GLN 13 HE21 GLN 13 0.235 -8.135 6.681
88 HE22 GLN 13 HE22 GLN 13 1.773 -8.169 7.393
89 H GLN 14 H GLN 14 -0.135 -8.742 3.974
90 HA GLN 14 HA GLN 14 1.624 -9.904 5.906
91 HB2 GLN 14 HB3 GLN 14 -0.193 -11.276 6.518
92 HB3 GLN 14 HB2 GLN 14 -0.968 -9.827 5.876
93 HG2 GLN 14 HG3 GLN 14 -1.019 -11.022 3.624
94 HG3 GLN 14 HG2 GLN 14 -0.589 -12.490 4.501
95 HE21 GLN 14 HE21 GLN 14 -2.678 -9.931 5.838
96 HE22 GLN 14 HE22 GLN 14 -4.088 -10.872 5.879
97 H LEU 15 H LEU 15 0.812 -10.753 2.600
98 HA LEU 15 HA LEU 15 2.172 -13.357 2.774
99 HB2 LEU 15 HB3 LEU 15 1.113 -11.818 0.389
100 HB3 LEU 15 HB2 LEU 15 1.696 -13.481 0.347
101 HG LEU 15 HG LEU 15 -0.652 -12.461 1.970
102 HD11 LEU 15 HD11 LEU 15 -0.952 -14.562 -0.101
103 HD12 LEU 15 HD12 LEU 15 -0.619 -12.935 -0.701
104 HD13 LEU 15 HD13 LEU 15 -2.030 -13.229 0.314
105 HD21 LEU 15 HD21 LEU 15 0.157 -14.251 3.235
106 HD22 LEU 15 HD22 LEU 15 0.796 -15.089 1.820
107 HD23 LEU 15 HD23 LEU 15 -0.939 -15.078 2.128
108 H GLY 16 H GLY 16 3.141 -10.156 2.509
109 HA2 GLY 16 HA3 GLY 16 5.478 -9.543 2.439
110 HA3 GLY 16 HA2 GLY 16 5.810 -11.028 1.553
111 H HIS 17 H HIS 17 3.061 -9.408 0.338
112 HA HIS 17 HA HIS 17 4.113 -9.022 -2.237
113 HB2 HIS 17 HB3 HIS 17 1.882 -7.606 -0.778
114 HB3 HIS 17 HB2 HIS 17 2.281 -7.231 -2.455
115 HD2 HIS 17 HD2 HIS 17 2.287 -10.926 -1.058
116 HE1 HIS 17 HE1 HIS 17 -0.762 -10.590 -3.960
117 HE2 HIS 17 HE2 HIS 17 0.465 -12.198 -2.428
118 H CYS 18 H CYS 18 4.309 -6.885 0.574
119 HA CYS 18 HA CYS 18 5.393 -4.656 -0.954
120 HB2 CYS 18 HB3 CYS 18 4.980 -5.304 1.931
121 HB3 CYS 18 HB2 CYS 18 6.198 -4.091 1.542
122 H GLN 19 H GLN 19 6.673 -7.300 1.003
123 HA GLN 19 HA GLN 19 9.437 -6.509 0.763
124 HB2 GLN 19 HB3 GLN 19 8.515 -8.090 2.501
125 HB3 GLN 19 HB2 GLN 19 8.326 -9.294 1.227
126 HG2 GLN 19 HG3 GLN 19 10.763 -9.101 0.729
127 HG3 GLN 19 HG2 GLN 19 10.926 -7.991 2.091
128 HE21 GLN 19 HE21 GLN 19 8.560 -9.999 3.138
129 HE22 GLN 19 HE22 GLN 19 9.489 -11.200 3.897
130 H TYR 20 H TYR 20 7.215 -8.440 -1.149
131 HA TYR 20 HA TYR 20 9.399 -9.221 -2.996
132 HB2 TYR 20 HB3 TYR 20 6.478 -10.012 -2.887
133 HB3 TYR 20 HB2 TYR 20 7.642 -10.633 -4.056
134 HD1 TYR 20 HD1 TYR 20 9.927 -11.511 -2.926
135 HD2 TYR 20 HD2 TYR 20 6.111 -11.273 -0.970
136 HE1 TYR 20 HE1 TYR 20 10.657 -13.225 -1.285
137 HE2 TYR 20 HE2 TYR 20 6.844 -12.980 0.671
138 HH TYR 20 HH TYR 20 10.152 -14.281 0.621
139 H SER 21 H SER 21 6.199 -7.582 -3.156
140 HA SER 21 HA SER 21 7.199 -6.243 -5.641
141 HB2 SER 21 HB3 SER 21 5.397 -8.075 -5.933
142 HB3 SER 21 HB2 SER 21 4.296 -6.915 -5.192
143 HG SER 21 HG SER 21 4.166 -6.332 -7.245
144 HA PRO 22 HA PRO 22 5.721 -3.091 -2.546
145 HB2 PRO 22 HB3 PRO 22 8.004 -1.581 -2.556
146 HB3 PRO 22 HB2 PRO 22 7.730 -2.932 -1.441
147 HG2 PRO 22 HG3 PRO 22 9.390 -2.806 -3.889
148 HG3 PRO 22 HG2 PRO 22 9.638 -3.724 -2.396
149 HD2 PRO 22 HD3 PRO 22 8.678 -4.806 -4.767
150 HD3 PRO 22 HD2 PRO 22 8.437 -5.523 -3.161
151 H LYS 23 H LYS 23 7.029 -3.078 -5.732
152 HA LYS 23 HA LYS 23 6.812 -0.316 -6.407
153 HB2 LYS 23 HB3 LYS 23 6.317 -2.678 -8.240
154 HB3 LYS 23 HB2 LYS 23 6.816 -1.055 -8.714
155 HG2 LYS 23 HG3 LYS 23 8.429 -2.951 -6.983
156 HG3 LYS 23 HG2 LYS 23 8.738 -2.609 -8.686
157 HD2 LYS 23 HD3 LYS 23 8.897 -0.141 -7.993
158 HD3 LYS 23 HD2 LYS 23 8.984 -0.731 -6.333
159 HE2 LYS 23 HE3 LYS 23 11.206 -0.966 -6.670
160 HE3 LYS 23 HE2 LYS 23 10.797 -2.343 -7.694
161 HZ1 LYS 23 HZ1 LYS 23 12.105 -0.929 -9.006
162 HZ2 LYS 23 HZ2 LYS 23 11.268 0.463 -8.508
163 HZ3 LYS 23 HZ3 LYS 23 10.515 -0.666 -9.530
164 H TYR 24 H TYR 24 4.392 -2.887 -6.265
165 HA TYR 24 HA TYR 24 2.358 -0.986 -7.325
166 HB2 TYR 24 HB3 TYR 24 2.120 -3.958 -6.763
167 HB3 TYR 24 HB2 TYR 24 0.936 -2.953 -7.603
168 HD1 TYR 24 HD2 TYR 24 4.392 -4.315 -7.782
169 HD2 TYR 24 HD1 TYR 24 1.205 -2.365 -9.906
170 HE1 TYR 24 HE2 TYR 24 5.598 -4.670 -9.920
171 HE2 TYR 24 HE1 TYR 24 2.414 -2.718 -12.041
172 HH TYR 24 HH TYR 24 5.365 -4.645 -12.187
173 H MET 25 H MET 25 3.473 -2.384 -4.379
174 HA MET 25 HA MET 25 0.924 -2.110 -2.956
175 HB2 MET 25 HB3 MET 25 3.766 -2.550 -2.008
176 HB3 MET 25 HB2 MET 25 2.389 -2.449 -0.921
177 HG2 MET 25 HG3 MET 25 2.608 -4.425 -3.207
178 HG3 MET 25 HG2 MET 25 2.994 -4.804 -1.528
179 HE1 MET 25 HE1 MET 25 1.435 -5.210 0.301
180 HE2 MET 25 HE2 MET 25 -0.246 -4.694 0.375
181 HE3 MET 25 HE3 MET 25 1.032 -3.491 0.293
182 H GLY 26 H GLY 26 3.946 -0.291 -3.264
183 HA2 GLY 26 HA3 GLY 26 3.349 1.743 -1.370
184 HA3 GLY 26 HA2 GLY 26 4.454 1.928 -2.733
185 H HIS 27 H HIS 27 2.238 1.187 -4.621
186 HA HIS 27 HA HIS 27 1.171 3.912 -4.903
187 HB2 HIS 27 HB3 HIS 27 2.052 2.649 -6.864
188 HB3 HIS 27 HB2 HIS 27 0.750 1.478 -6.656
189 HD2 HIS 27 HD2 HIS 27 -1.897 2.564 -7.161
190 HE1 HIS 27 HE1 HIS 27 -0.469 6.033 -9.094
191 HE2 HIS 27 HE2 HIS 27 -2.529 4.632 -8.617
192 H TYR 28 H TYR 28 0.193 1.017 -3.449
193 HA TYR 28 HA TYR 28 -2.644 1.958 -3.470
194 HB2 TYR 28 HB3 TYR 28 -1.511 -0.793 -3.832
195 HB3 TYR 28 HB2 TYR 28 -3.096 -0.598 -3.079
196 HD1 TYR 28 HD2 TYR 28 -1.127 -0.104 -6.154
197 HD2 TYR 28 HD1 TYR 28 -4.996 0.282 -4.323
198 HE1 TYR 28 HE2 TYR 28 -2.150 0.247 -8.387
199 HE2 TYR 28 HE1 TYR 28 -6.017 0.632 -6.557
200 HH TYR 28 HH TYR 28 -4.305 1.435 -9.249
201 H CYS 29 H CYS 29 -0.273 -0.028 -1.671
202 HA CYS 29 HA CYS 29 -1.758 0.699 0.811
203 HB2 CYS 29 HB3 CYS 29 0.337 -1.447 0.608
204 HB3 CYS 29 HB2 CYS 29 -0.963 -1.290 1.783
205 H LYS 30 H LYS 30 -0.820 2.417 1.810
206 HA LYS 30 HA LYS 30 2.068 2.919 1.479
207 HB2 LYS 30 HB3 LYS 30 0.364 4.564 3.298
208 HB3 LYS 30 HB2 LYS 30 1.635 5.077 2.192
209 HG2 LYS 30 HG3 LYS 30 -1.149 4.154 1.423
210 HG3 LYS 30 HG2 LYS 30 -0.539 5.803 1.332
211 HD2 LYS 30 HD3 LYS 30 0.771 3.524 -0.170
212 HD3 LYS 30 HD2 LYS 30 -0.550 4.464 -0.854
213 HE2 LYS 30 HE3 LYS 30 2.130 5.528 0.072
214 HE3 LYS 30 HE2 LYS 30 1.545 5.442 -1.587
215 HZ1 LYS 30 HZ1 LYS 30 1.059 7.429 0.378
216 HZ2 LYS 30 HZ2 LYS 30 -0.406 6.779 -0.185
217 HZ3 LYS 30 HZ3 LYS 30 0.705 7.453 -1.279
218 H LYS 31 H LYS 31 -0.206 2.534 4.209
219 HA LYS 31 HA LYS 31 1.821 2.319 6.216
220 HB2 LYS 31 HB3 LYS 31 -1.055 1.439 6.053
221 HB3 LYS 31 HB2 LYS 31 -0.081 1.158 7.494
222 HG2 LYS 31 HG3 LYS 31 0.148 3.435 7.953
223 HG3 LYS 31 HG2 LYS 31 -0.140 3.902 6.278
224 HD2 LYS 31 HD3 LYS 31 -2.229 4.404 6.985
225 HD3 LYS 31 HD2 LYS 31 -2.509 2.666 6.935
226 HE2 LYS 31 HE3 LYS 31 -1.440 2.755 9.357
227 HE3 LYS 31 HE2 LYS 31 -1.974 4.437 9.289
228 HZ1 LYS 31 HZ1 LYS 31 -3.975 3.699 9.836
229 HZ2 LYS 31 HZ2 LYS 31 -3.512 2.076 9.649
230 HZ3 LYS 31 HZ3 LYS 31 -4.073 2.962 8.313
231 H ALA 32 H ALA 32 -0.006 -0.134 4.421
232 HA ALA 32 HA ALA 32 1.113 -2.423 5.659
233 HB1 ALA 32 HB1 ALA 32 -0.752 -1.996 3.719
234 HB2 ALA 32 HB2 ALA 32 -0.075 -3.574 4.096
235 HB3 ALA 32 HB3 ALA 32 0.582 -2.635 2.758
236 H CYS 33 H CYS 33 2.512 -0.147 3.464
237 HA CYS 33 HA CYS 33 4.799 -2.001 2.963
238 HB2 CYS 33 HB3 CYS 33 3.402 -0.151 1.288
239 HB3 CYS 33 HB2 CYS 33 5.047 0.432 1.497
240 H GLY 34 H GLY 34 6.898 -0.391 2.650
241 HA2 GLY 34 HA3 GLY 34 7.367 0.606 5.343
242 HA3 GLY 34 HA2 GLY 34 8.530 0.632 4.021
243 H LEU 35 H LEU 35 5.615 1.985 3.026
244 HA LEU 35 HA LEU 35 6.781 4.629 2.834
245 HB2 LEU 35 HB3 LEU 35 3.860 3.875 2.522
246 HB3 LEU 35 HB2 LEU 35 4.666 5.301 1.866
247 HG LEU 35 HG LEU 35 4.987 2.422 1.038
248 HD11 LEU 35 HD11 LEU 35 3.290 3.583 -0.169
249 HD12 LEU 35 HD12 LEU 35 4.699 3.540 -1.227
250 HD13 LEU 35 HD13 LEU 35 4.300 5.015 -0.351
251 HD21 LEU 35 HD21 LEU 35 7.250 3.155 1.238
252 HD22 LEU 35 HD22 LEU 35 6.867 4.746 0.583
253 HD23 LEU 35 HD23 LEU 35 6.838 3.330 -0.467
254 H CYS 36 H CYS 36 4.438 3.103 5.009
255 HA CYS 36 HA CYS 36 4.906 5.272 6.953
256 HB2 CYS 36 HB3 CYS 36 2.568 5.163 5.259
257 HB3 CYS 36 HB2 CYS 36 2.103 4.986 6.951
Start of MODEL 4
1 HA VAL 1 HA VAL 1 -1.380 11.500 4.878
2 HB VAL 1 HB VAL 1 -3.092 12.158 2.516
3 HG11 VAL 1 HG11 VAL 1 -3.432 9.772 4.333
4 HG12 VAL 1 HG12 VAL 1 -3.576 9.845 2.576
5 HG13 VAL 1 HG13 VAL 1 -4.824 10.562 3.594
6 HG21 VAL 1 HG21 VAL 1 -3.146 13.606 4.474
7 HG22 VAL 1 HG22 VAL 1 -3.432 12.224 5.532
8 HG23 VAL 1 HG23 VAL 1 -4.672 12.725 4.384
9 H CYS 2 H CYS 2 -1.370 9.259 5.101
10 HA CYS 2 HA CYS 2 -0.750 7.656 2.658
11 HB2 CYS 2 HB3 CYS 2 1.046 6.538 3.735
12 HB3 CYS 2 HB2 CYS 2 1.293 8.236 4.131
13 H GLU 3 H GLU 3 -2.125 5.929 2.510
14 HA GLU 3 HA GLU 3 -2.992 4.471 4.881
15 HB2 GLU 3 HB3 GLU 3 -5.315 4.980 4.821
16 HB3 GLU 3 HB2 GLU 3 -4.500 6.543 4.748
17 HG2 GLU 3 HG3 GLU 3 -4.696 6.462 2.248
18 HG3 GLU 3 HG2 GLU 3 -5.658 4.992 2.413
19 H ASP 4 H ASP 4 -4.266 2.552 4.290
20 HA ASP 4 HA ASP 4 -3.329 1.341 1.878
21 HB2 ASP 4 HB3 ASP 4 -4.884 -0.502 2.437
22 HB3 ASP 4 HB2 ASP 4 -3.950 0.007 3.844
23 H LEU 5 H LEU 5 -4.313 1.040 -0.110
24 HA LEU 5 HA LEU 5 -6.763 2.679 -0.579
25 HB2 LEU 5 HB3 LEU 5 -4.628 1.707 -2.502
26 HB3 LEU 5 HB2 LEU 5 -6.039 2.660 -2.962
27 HG LEU 5 HG LEU 5 -3.940 3.544 -0.953
28 HD11 LEU 5 HD11 LEU 5 -4.022 3.634 -3.862
29 HD12 LEU 5 HD12 LEU 5 -2.708 4.073 -2.769
30 HD13 LEU 5 HD13 LEU 5 -3.953 5.255 -3.170
31 HD21 LEU 5 HD21 LEU 5 -5.753 4.823 -0.351
32 HD22 LEU 5 HD22 LEU 5 -6.543 4.621 -1.914
33 HD23 LEU 5 HD23 LEU 5 -5.229 5.784 -1.736
34 H ASN 6 H ASN 6 -5.400 -0.534 -0.845
35 HA ASN 6 HA ASN 6 -7.890 -1.476 -2.185
36 HB2 ASN 6 HB3 ASN 6 -5.530 -2.063 -3.054
37 HB3 ASN 6 HB2 ASN 6 -5.436 -3.148 -1.663
38 HD21 ASN 6 HD21 ASN 6 -6.265 -5.205 -2.013
39 HD22 ASN 6 HD22 ASN 6 -7.380 -5.614 -3.224
40 H ALA 7 H ALA 7 -9.202 -3.041 -1.188
41 HA ALA 7 HA ALA 7 -9.182 -3.113 1.692
42 HB1 ALA 7 HB1 ALA 7 -10.802 -5.173 1.118
43 HB2 ALA 7 HB2 ALA 7 -10.757 -4.428 -0.478
44 HB3 ALA 7 HB3 ALA 7 -11.319 -3.500 0.910
45 H HIS 8 H HIS 8 -7.701 -5.075 -0.770
46 HA HIS 8 HA HIS 8 -7.072 -7.228 1.169
47 HB2 HIS 8 HB3 HIS 8 -6.436 -6.932 -1.782
48 HB3 HIS 8 HB2 HIS 8 -6.020 -8.336 -0.806
49 HD2 HIS 8 HD2 HIS 8 -9.243 -7.825 0.686
50 HE1 HIS 8 HE1 HIS 8 -10.323 -9.547 -3.016
51 HE2 HIS 8 HE2 HIS 8 -11.138 -8.990 -0.679
52 H CYS 9 H CYS 9 -5.954 -4.313 0.981
53 HA CYS 9 HA CYS 9 -3.231 -4.331 0.285
54 HB2 CYS 9 HB3 CYS 9 -4.957 -2.753 2.083
55 HB3 CYS 9 HB2 CYS 9 -3.247 -2.740 2.515
56 H GLU 10 H GLU 10 -4.581 -4.912 3.546
57 HA GLU 10 HA GLU 10 -2.107 -5.754 4.696
58 HB2 GLU 10 HB3 GLU 10 -4.988 -6.307 5.433
59 HB3 GLU 10 HB2 GLU 10 -3.625 -6.820 6.430
60 HG2 GLU 10 HG3 GLU 10 -2.863 -4.468 6.579
61 HG3 GLU 10 HG2 GLU 10 -4.254 -3.967 5.615
62 H MET 11 H MET 11 -4.641 -7.507 2.968
63 HA MET 11 HA MET 11 -3.726 -10.146 3.571
64 HB2 MET 11 HB3 MET 11 -5.937 -9.563 2.513
65 HB3 MET 11 HB2 MET 11 -5.066 -9.242 1.013
66 HG2 MET 11 HG3 MET 11 -4.156 -11.567 1.088
67 HG3 MET 11 HG2 MET 11 -5.141 -11.873 2.518
68 HE1 MET 11 HE1 MET 11 -5.227 -12.046 -1.465
69 HE2 MET 11 HE2 MET 11 -5.037 -10.400 -0.868
70 HE3 MET 11 HE3 MET 11 -6.515 -10.859 -1.706
71 H TRP 12 H TRP 12 -2.694 -7.764 1.197
72 HA TRP 12 HA TRP 12 -0.975 -9.678 -0.211
73 HB2 TRP 12 HB3 TRP 12 -1.129 -6.659 -0.381
74 HB3 TRP 12 HB2 TRP 12 -0.249 -7.696 -1.494
75 HD1 TRP 12 HD1 TRP 12 -2.834 -9.897 -1.253
76 HE1 TRP 12 HE1 TRP 12 -4.832 -9.411 -2.808
77 HE3 TRP 12 HE3 TRP 12 -1.931 -4.992 -2.331
78 HZ2 TRP 12 HZ2 TRP 12 -5.905 -7.224 -4.312
79 HZ3 TRP 12 HZ3 TRP 12 -3.455 -3.732 -3.826
80 HH2 TRP 12 HH2 TRP 12 -5.440 -4.842 -4.815
81 H GLN 13 H GLN 13 -0.531 -7.003 2.101
82 HA GLN 13 HA GLN 13 2.338 -7.105 2.063
83 HB2 GLN 13 HB3 GLN 13 2.254 -5.532 3.775
84 HB3 GLN 13 HB2 GLN 13 0.681 -5.301 3.017
85 HG2 GLN 13 HG3 GLN 13 0.120 -5.463 5.287
86 HG3 GLN 13 HG2 GLN 13 -0.128 -7.109 4.721
87 HE21 GLN 13 HE21 GLN 13 0.387 -8.105 6.773
88 HE22 GLN 13 HE22 GLN 13 1.959 -8.084 7.418
89 H GLN 14 H GLN 14 -0.114 -8.801 3.966
90 HA GLN 14 HA GLN 14 1.711 -9.929 5.867
91 HB2 GLN 14 HB3 GLN 14 -0.075 -11.287 6.561
92 HB3 GLN 14 HB2 GLN 14 -0.890 -9.873 5.895
93 HG2 GLN 14 HG3 GLN 14 -0.967 -11.149 3.681
94 HG3 GLN 14 HG2 GLN 14 -0.511 -12.576 4.610
95 HE21 GLN 14 HE21 GLN 14 -2.622 -9.939 5.778
96 HE22 GLN 14 HE22 GLN 14 -4.013 -10.901 5.931
97 H LEU 15 H LEU 15 0.902 -10.717 2.570
98 HA LEU 15 HA LEU 15 2.239 -13.342 2.700
99 HB2 LEU 15 HB3 LEU 15 1.160 -11.774 0.340
100 HB3 LEU 15 HB2 LEU 15 1.750 -13.433 0.272
101 HG LEU 15 HG LEU 15 -0.617 -12.435 1.883
102 HD11 LEU 15 HD11 LEU 15 -0.456 -14.348 -0.466
103 HD12 LEU 15 HD12 LEU 15 -0.988 -12.669 -0.570
104 HD13 LEU 15 HD13 LEU 15 -1.926 -13.835 0.362
105 HD21 LEU 15 HD21 LEU 15 -0.853 -15.053 2.105
106 HD22 LEU 15 HD22 LEU 15 0.212 -14.176 3.202
107 HD23 LEU 15 HD23 LEU 15 0.887 -15.034 1.817
108 H GLY 16 H GLY 16 3.201 -10.129 2.463
109 HA2 GLY 16 HA3 GLY 16 5.528 -9.500 2.386
110 HA3 GLY 16 HA2 GLY 16 5.874 -10.992 1.516
111 H HIS 17 H HIS 17 3.141 -9.240 0.336
112 HA HIS 17 HA HIS 17 4.218 -8.932 -2.263
113 HB2 HIS 17 HB3 HIS 17 1.969 -7.520 -0.826
114 HB3 HIS 17 HB2 HIS 17 2.396 -7.112 -2.488
115 HD2 HIS 17 HD2 HIS 17 2.388 -10.832 -1.153
116 HE1 HIS 17 HE1 HIS 17 -0.582 -10.467 -4.133
117 HE2 HIS 17 HE2 HIS 17 0.621 -12.092 -2.603
118 H CYS 18 H CYS 18 4.425 -6.782 0.536
119 HA CYS 18 HA CYS 18 5.528 -4.558 -0.968
120 HB2 CYS 18 HB3 CYS 18 5.245 -5.262 1.933
121 HB3 CYS 18 HB2 CYS 18 6.390 -3.999 1.484
122 H GLN 19 H GLN 19 6.807 -7.248 0.909
123 HA GLN 19 HA GLN 19 9.584 -6.518 0.630
124 HB2 GLN 19 HB3 GLN 19 8.636 -8.089 2.362
125 HB3 GLN 19 HB2 GLN 19 8.401 -9.270 1.077
126 HG2 GLN 19 HG3 GLN 19 10.808 -9.243 0.584
127 HG3 GLN 19 HG2 GLN 19 11.062 -8.037 1.846
128 HE21 GLN 19 HE21 GLN 19 12.436 -10.430 2.150
129 HE22 GLN 19 HE22 GLN 19 11.737 -11.360 3.387
130 H TYR 20 H TYR 20 7.302 -8.435 -1.229
131 HA TYR 20 HA TYR 20 9.426 -9.217 -3.139
132 HB2 TYR 20 HB3 TYR 20 6.505 -9.999 -2.977
133 HB3 TYR 20 HB2 TYR 20 7.684 -10.674 -4.104
134 HD1 TYR 20 HD2 TYR 20 10.006 -11.357 -2.812
135 HD2 TYR 20 HD1 TYR 20 6.064 -11.310 -1.108
136 HE1 TYR 20 HE2 TYR 20 10.737 -12.972 -1.079
137 HE2 TYR 20 HE1 TYR 20 6.795 -12.927 0.626
138 HH TYR 20 HH TYR 20 9.434 -13.461 1.644
139 H SER 21 H SER 21 6.181 -7.662 -3.264
140 HA SER 21 HA SER 21 7.135 -6.305 -5.757
141 HB2 SER 21 HB3 SER 21 5.295 -8.188 -5.891
142 HB3 SER 21 HB2 SER 21 4.232 -6.902 -5.329
143 HG SER 21 HG SER 21 5.837 -6.995 -7.660
144 HA PRO 22 HA PRO 22 5.676 -3.154 -2.638
145 HB2 PRO 22 HB3 PRO 22 7.951 -1.611 -2.755
146 HB3 PRO 22 HB2 PRO 22 7.687 -2.904 -1.574
147 HG2 PRO 22 HG3 PRO 22 9.351 -2.886 -4.011
148 HG3 PRO 22 HG2 PRO 22 9.570 -3.773 -2.496
149 HD2 PRO 22 HD3 PRO 22 8.617 -4.885 -4.863
150 HD3 PRO 22 HD2 PRO 22 8.373 -5.577 -3.245
151 H LYS 23 H LYS 23 6.885 -3.167 -5.853
152 HA LYS 23 HA LYS 23 6.649 -0.440 -6.587
153 HB2 LYS 23 HB3 LYS 23 6.126 -2.946 -8.209
154 HB3 LYS 23 HB2 LYS 23 6.275 -1.326 -8.895
155 HG2 LYS 23 HG3 LYS 23 8.550 -1.135 -7.976
156 HG3 LYS 23 HG2 LYS 23 8.405 -2.742 -7.265
157 HD2 LYS 23 HD3 LYS 23 9.616 -2.921 -9.368
158 HD3 LYS 23 HD2 LYS 23 8.032 -3.674 -9.555
159 HE2 LYS 23 HE3 LYS 23 8.041 -0.800 -10.176
160 HE3 LYS 23 HE2 LYS 23 9.079 -1.755 -11.237
161 HZ1 LYS 23 HZ1 LYS 23 6.589 -1.498 -11.802
162 HZ2 LYS 23 HZ2 LYS 23 6.358 -2.687 -10.611
163 HZ3 LYS 23 HZ3 LYS 23 7.319 -3.020 -11.973
164 H TYR 24 H TYR 24 4.166 -2.946 -6.242
165 HA TYR 24 HA TYR 24 2.129 -0.981 -7.179
166 HB2 TYR 24 HB3 TYR 24 1.766 -3.925 -6.561
167 HB3 TYR 24 HB2 TYR 24 0.638 -2.870 -7.415
168 HD1 TYR 24 HD2 TYR 24 1.125 -2.076 -9.697
169 HD2 TYR 24 HD1 TYR 24 3.777 -4.759 -7.639
170 HE1 TYR 24 HE2 TYR 24 2.275 -2.585 -11.833
171 HE2 TYR 24 HE1 TYR 24 4.925 -5.263 -9.775
172 HH TYR 24 HH TYR 24 4.550 -3.400 -12.548
173 H MET 25 H MET 25 3.359 -2.473 -4.315
174 HA MET 25 HA MET 25 0.932 -2.130 -2.730
175 HB2 MET 25 HB3 MET 25 3.822 -2.460 -1.866
176 HB3 MET 25 HB2 MET 25 2.419 -2.576 -0.809
177 HG2 MET 25 HG3 MET 25 2.855 -4.342 -3.230
178 HG3 MET 25 HG2 MET 25 3.280 -4.811 -1.584
179 HE1 MET 25 HE1 MET 25 1.953 -4.475 0.246
180 HE2 MET 25 HE2 MET 25 0.507 -5.467 0.353
181 HE3 MET 25 HE3 MET 25 0.358 -3.719 0.213
182 H GLY 26 H GLY 26 3.987 -0.369 -3.147
183 HA2 GLY 26 HA3 GLY 26 3.438 1.715 -1.281
184 HA3 GLY 26 HA2 GLY 26 4.554 1.846 -2.644
185 H HIS 27 H HIS 27 2.312 1.119 -4.522
186 HA HIS 27 HA HIS 27 1.309 3.866 -4.852
187 HB2 HIS 27 HB3 HIS 27 2.187 2.541 -6.789
188 HB3 HIS 27 HB2 HIS 27 0.834 1.428 -6.588
189 HD2 HIS 27 HD2 HIS 27 -1.749 2.593 -7.190
190 HE1 HIS 27 HE1 HIS 27 -0.158 6.021 -9.071
191 HE2 HIS 27 HE2 HIS 27 -2.272 4.682 -8.660
192 H TYR 28 H TYR 28 0.248 0.944 -3.452
193 HA TYR 28 HA TYR 28 -2.566 1.958 -3.473
194 HB2 TYR 28 HB3 TYR 28 -1.472 -0.813 -3.818
195 HB3 TYR 28 HB2 TYR 28 -3.052 -0.594 -3.065
196 HD1 TYR 28 HD2 TYR 28 -1.068 -0.065 -6.137
197 HD2 TYR 28 HD1 TYR 28 -4.953 0.219 -4.325
198 HE1 TYR 28 HE2 TYR 28 -2.086 0.271 -8.371
199 HE2 TYR 28 HE1 TYR 28 -5.972 0.556 -6.558
200 HH TYR 28 HH TYR 28 -4.832 -0.243 -9.234
201 H CYS 29 H CYS 29 -0.280 -0.122 -1.663
202 HA CYS 29 HA CYS 29 -1.746 0.647 0.814
203 HB2 CYS 29 HB3 CYS 29 0.348 -1.506 0.614
204 HB3 CYS 29 HB2 CYS 29 -0.942 -1.328 1.801
205 H LYS 30 H LYS 30 -0.820 2.366 1.809
206 HA LYS 30 HA LYS 30 2.075 2.850 1.497
207 HB2 LYS 30 HB3 LYS 30 0.335 4.516 3.270
208 HB3 LYS 30 HB2 LYS 30 1.656 5.016 2.211
209 HG2 LYS 30 HG3 LYS 30 -1.099 4.105 1.328
210 HG3 LYS 30 HG2 LYS 30 -0.492 5.756 1.278
211 HD2 LYS 30 HD3 LYS 30 0.915 3.511 -0.182
212 HD3 LYS 30 HD2 LYS 30 -0.412 4.404 -0.916
213 HE2 LYS 30 HE3 LYS 30 2.207 5.551 0.087
214 HE3 LYS 30 HE2 LYS 30 1.661 5.455 -1.587
215 HZ1 LYS 30 HZ1 LYS 30 -0.321 6.811 -0.765
216 HZ2 LYS 30 HZ2 LYS 30 1.163 7.614 -0.962
217 HZ3 LYS 30 HZ3 LYS 30 0.639 7.165 0.591
218 H LYS 31 H LYS 31 -0.224 2.512 4.223
219 HA LYS 31 HA LYS 31 1.777 2.290 6.256
220 HB2 LYS 31 HB3 LYS 31 -1.075 1.300 6.085
221 HB3 LYS 31 HB2 LYS 31 -0.096 1.157 7.542
222 HG2 LYS 31 HG3 LYS 31 -0.143 3.409 7.969
223 HG3 LYS 31 HG2 LYS 31 -0.172 3.839 6.259
224 HD2 LYS 31 HD3 LYS 31 -2.329 4.417 6.946
225 HD3 LYS 31 HD2 LYS 31 -2.577 2.795 6.308
226 HE2 LYS 31 HE3 LYS 31 -2.167 3.513 9.227
227 HE3 LYS 31 HE2 LYS 31 -3.690 3.030 8.482
228 HZ1 LYS 31 HZ1 LYS 31 -3.028 1.016 9.200
229 HZ2 LYS 31 HZ2 LYS 31 -1.377 1.418 9.193
230 HZ3 LYS 31 HZ3 LYS 31 -2.160 1.009 7.742
231 H ALA 32 H ALA 32 -0.047 -0.176 4.470
232 HA ALA 32 HA ALA 32 1.098 -2.455 5.688
233 HB1 ALA 32 HB1 ALA 32 -0.771 -2.076 3.765
234 HB2 ALA 32 HB2 ALA 32 -0.017 -3.632 4.078
235 HB3 ALA 32 HB3 ALA 32 0.583 -2.615 2.769
236 H CYS 33 H CYS 33 2.471 -0.150 3.517
237 HA CYS 33 HA CYS 33 4.799 -1.954 3.036
238 HB2 CYS 33 HB3 CYS 33 3.391 -0.131 1.344
239 HB3 CYS 33 HB2 CYS 33 5.018 0.483 1.582
240 H GLY 34 H GLY 34 6.917 -0.556 2.907
241 HA2 GLY 34 HA3 GLY 34 7.370 0.511 5.524
242 HA3 GLY 34 HA2 GLY 34 8.509 0.607 4.183
243 H LEU 35 H LEU 35 5.565 1.890 3.223
244 HA LEU 35 HA LEU 35 6.657 4.583 3.197
245 HB2 LEU 35 HB3 LEU 35 3.803 3.755 2.615
246 HB3 LEU 35 HB2 LEU 35 4.622 5.217 2.069
247 HG LEU 35 HG LEU 35 5.110 2.376 1.205
248 HD11 LEU 35 HD11 LEU 35 3.431 3.594 -0.046
249 HD12 LEU 35 HD12 LEU 35 4.873 3.427 -1.042
250 HD13 LEU 35 HD13 LEU 35 4.524 4.961 -0.249
251 HD21 LEU 35 HD21 LEU 35 7.320 3.148 1.569
252 HD22 LEU 35 HD22 LEU 35 6.929 4.772 1.001
253 HD23 LEU 35 HD23 LEU 35 7.025 3.437 -0.144
254 H CYS 36 H CYS 36 4.402 2.798 5.213
255 HA CYS 36 HA CYS 36 4.494 5.012 7.164
256 HB2 CYS 36 HB3 CYS 36 2.148 4.368 5.529
257 HB3 CYS 36 HB2 CYS 36 1.816 4.320 7.259
Start of MODEL 5
1 HA VAL 1 HA VAL 1 -2.183 10.991 5.225
2 HB VAL 1 HB VAL 1 -2.699 12.833 3.639
3 HG11 VAL 1 HG11 VAL 1 -0.830 11.483 2.020
4 HG12 VAL 1 HG12 VAL 1 -1.781 12.901 1.580
5 HG13 VAL 1 HG13 VAL 1 -2.381 11.286 1.206
6 HG21 VAL 1 HG21 VAL 1 -3.759 10.253 2.480
7 HG22 VAL 1 HG22 VAL 1 -4.601 11.788 2.694
8 HG23 VAL 1 HG23 VAL 1 -4.227 10.785 4.095
9 H CYS 2 H CYS 2 -0.783 9.004 5.512
10 HA CYS 2 HA CYS 2 -0.598 7.379 3.018
11 HB2 CYS 2 HB3 CYS 2 0.479 5.992 5.255
12 HB3 CYS 2 HB2 CYS 2 1.349 6.668 3.876
13 H GLU 3 H GLU 3 -1.989 5.684 2.730
14 HA GLU 3 HA GLU 3 -3.146 4.264 4.989
15 HB2 GLU 3 HB3 GLU 3 -5.417 4.900 4.754
16 HB3 GLU 3 HB2 GLU 3 -4.526 6.423 4.721
17 HG2 GLU 3 HG3 GLU 3 -4.533 6.286 2.205
18 HG3 GLU 3 HG2 GLU 3 -5.602 4.890 2.339
19 H ASP 4 H ASP 4 -4.401 2.398 4.279
20 HA ASP 4 HA ASP 4 -3.321 1.248 1.875
21 HB2 ASP 4 HB3 ASP 4 -4.866 -0.643 2.377
22 HB3 ASP 4 HB2 ASP 4 -3.896 -0.165 3.771
23 H LEU 5 H LEU 5 -4.141 1.226 -0.172
24 HA LEU 5 HA LEU 5 -6.671 2.716 -0.631
25 HB2 LEU 5 HB3 LEU 5 -4.516 1.747 -2.534
26 HB3 LEU 5 HB2 LEU 5 -5.943 2.660 -3.020
27 HG LEU 5 HG LEU 5 -3.891 3.638 -1.011
28 HD11 LEU 5 HD11 LEU 5 -2.632 4.165 -2.804
29 HD12 LEU 5 HD12 LEU 5 -3.917 5.267 -3.303
30 HD13 LEU 5 HD13 LEU 5 -3.890 3.611 -3.911
31 HD21 LEU 5 HD21 LEU 5 -5.673 4.960 -0.486
32 HD22 LEU 5 HD22 LEU 5 -6.511 4.594 -1.990
33 HD23 LEU 5 HD23 LEU 5 -5.238 5.811 -1.969
34 H ASN 6 H ASN 6 -5.296 -0.486 -0.829
35 HA ASN 6 HA ASN 6 -7.761 -1.447 -2.198
36 HB2 ASN 6 HB3 ASN 6 -5.449 -2.085 -3.078
37 HB3 ASN 6 HB2 ASN 6 -5.276 -3.068 -1.622
38 HD21 ASN 6 HD21 ASN 6 -7.179 -2.697 -4.606
39 HD22 ASN 6 HD22 ASN 6 -7.858 -4.251 -4.565
40 H ALA 7 H ALA 7 -9.112 -2.920 -1.171
41 HA ALA 7 HA ALA 7 -9.064 -2.972 1.713
42 HB1 ALA 7 HB1 ALA 7 -10.692 -4.419 -0.377
43 HB2 ALA 7 HB2 ALA 7 -11.208 -3.129 0.709
44 HB3 ALA 7 HB3 ALA 7 -10.895 -4.748 1.343
45 H HIS 8 H HIS 8 -7.563 -4.891 -0.716
46 HA HIS 8 HA HIS 8 -7.154 -7.163 1.152
47 HB2 HIS 8 HB3 HIS 8 -6.516 -6.793 -1.785
48 HB3 HIS 8 HB2 HIS 8 -6.074 -8.225 -0.868
49 HD2 HIS 8 HD2 HIS 8 -9.430 -6.365 -1.879
50 HE1 HIS 8 HE1 HIS 8 -10.307 -10.400 -1.004
51 HE2 HIS 8 HE2 HIS 8 -11.277 -8.206 -1.829
52 H CYS 9 H CYS 9 -5.765 -4.285 0.930
53 HA CYS 9 HA CYS 9 -3.042 -4.602 0.354
54 HB2 CYS 9 HB3 CYS 9 -4.527 -2.895 2.324
55 HB3 CYS 9 HB2 CYS 9 -2.766 -2.927 2.372
56 H GLU 10 H GLU 10 -4.602 -5.156 3.549
57 HA GLU 10 HA GLU 10 -2.239 -6.107 4.827
58 HB2 GLU 10 HB3 GLU 10 -4.418 -5.533 5.984
59 HB3 GLU 10 HB2 GLU 10 -5.062 -7.062 5.382
60 HG2 GLU 10 HG3 GLU 10 -3.187 -8.259 6.503
61 HG3 GLU 10 HG2 GLU 10 -2.643 -6.721 7.178
62 H MET 11 H MET 11 -4.706 -7.737 2.892
63 HA MET 11 HA MET 11 -3.820 -10.414 3.285
64 HB2 MET 11 HB3 MET 11 -5.122 -9.158 0.858
65 HB3 MET 11 HB2 MET 11 -4.985 -10.891 1.150
66 HG2 MET 11 HG3 MET 11 -6.447 -8.903 2.917
67 HG3 MET 11 HG2 MET 11 -7.205 -10.073 1.836
68 HE1 MET 11 HE1 MET 11 -5.127 -12.853 2.526
69 HE2 MET 11 HE2 MET 11 -6.606 -12.338 1.716
70 HE3 MET 11 HE3 MET 11 -6.702 -13.401 3.118
71 H TRP 12 H TRP 12 -2.691 -7.854 1.153
72 HA TRP 12 HA TRP 12 -0.910 -9.687 -0.299
73 HB2 TRP 12 HB3 TRP 12 -1.096 -6.670 -0.396
74 HB3 TRP 12 HB2 TRP 12 -0.243 -7.688 -1.544
75 HD1 TRP 12 HD1 TRP 12 -2.857 -9.869 -1.307
76 HE1 TRP 12 HE1 TRP 12 -4.860 -9.330 -2.842
77 HE3 TRP 12 HE3 TRP 12 -1.898 -4.961 -2.312
78 HZ2 TRP 12 HZ2 TRP 12 -5.913 -7.103 -4.304
79 HZ3 TRP 12 HZ3 TRP 12 -3.408 -3.654 -3.776
80 HH2 TRP 12 HH2 TRP 12 -5.413 -4.718 -4.775
81 H GLN 13 H GLN 13 -0.571 -7.007 2.040
82 HA GLN 13 HA GLN 13 2.301 -7.107 2.083
83 HB2 GLN 13 HB3 GLN 13 2.183 -5.523 3.779
84 HB3 GLN 13 HB2 GLN 13 0.630 -5.285 2.979
85 HG2 GLN 13 HG3 GLN 13 -0.024 -5.441 5.212
86 HG3 GLN 13 HG2 GLN 13 -0.198 -7.110 4.687
87 HE21 GLN 13 HE21 GLN 13 0.405 -8.233 6.593
88 HE22 GLN 13 HE22 GLN 13 1.906 -8.045 7.360
89 H GLN 14 H GLN 14 -0.212 -8.806 3.881
90 HA GLN 14 HA GLN 14 1.531 -9.940 5.859
91 HB2 GLN 14 HB3 GLN 14 -0.282 -11.331 6.446
92 HB3 GLN 14 HB2 GLN 14 -1.059 -9.883 5.808
93 HG2 GLN 14 HG3 GLN 14 -1.107 -11.054 3.551
94 HG3 GLN 14 HG2 GLN 14 -0.644 -12.527 4.402
95 HE21 GLN 14 HE21 GLN 14 -2.820 -9.958 5.625
96 HE22 GLN 14 HE22 GLN 14 -4.193 -10.951 5.734
97 H LEU 15 H LEU 15 0.798 -10.735 2.533
98 HA LEU 15 HA LEU 15 2.144 -13.350 2.688
99 HB2 LEU 15 HB3 LEU 15 1.101 -11.772 0.323
100 HB3 LEU 15 HB2 LEU 15 1.711 -13.424 0.246
101 HG LEU 15 HG LEU 15 -0.647 -12.507 1.918
102 HD11 LEU 15 HD11 LEU 15 -0.411 -13.225 -0.868
103 HD12 LEU 15 HD12 LEU 15 -1.850 -12.735 0.026
104 HD13 LEU 15 HD13 LEU 15 -1.379 -14.435 -0.025
105 HD21 LEU 15 HD21 LEU 15 -0.899 -15.156 1.829
106 HD22 LEU 15 HD22 LEU 15 0.111 -14.380 3.050
107 HD23 LEU 15 HD23 LEU 15 0.849 -15.080 1.608
108 H GLY 16 H GLY 16 3.135 -10.150 2.491
109 HA2 GLY 16 HA3 GLY 16 5.467 -9.534 2.449
110 HA3 GLY 16 HA2 GLY 16 5.815 -11.018 1.566
111 H HIS 17 H HIS 17 3.096 -9.436 0.262
112 HA HIS 17 HA HIS 17 4.193 -9.028 -2.280
113 HB2 HIS 17 HB3 HIS 17 1.954 -7.602 -0.845
114 HB3 HIS 17 HB2 HIS 17 2.395 -7.191 -2.502
115 HD2 HIS 17 HD2 HIS 17 2.304 -10.926 -1.205
116 HE1 HIS 17 HE1 HIS 17 -0.682 -10.443 -4.152
117 HE2 HIS 17 HE2 HIS 17 0.483 -12.119 -2.645
118 H CYS 18 H CYS 18 4.429 -6.924 0.551
119 HA CYS 18 HA CYS 18 5.517 -4.686 -0.969
120 HB2 CYS 18 HB3 CYS 18 5.138 -5.347 1.921
121 HB3 CYS 18 HB2 CYS 18 6.353 -4.137 1.512
122 H GLN 19 H GLN 19 6.792 -7.358 0.950
123 HA GLN 19 HA GLN 19 9.562 -6.604 0.717
124 HB2 GLN 19 HB3 GLN 19 8.604 -8.237 2.398
125 HB3 GLN 19 HB2 GLN 19 8.409 -9.387 1.076
126 HG2 GLN 19 HG3 GLN 19 10.828 -9.288 0.618
127 HG3 GLN 19 HG2 GLN 19 11.031 -8.131 1.932
128 HE21 GLN 19 HE21 GLN 19 12.380 -10.642 2.003
129 HE22 GLN 19 HE22 GLN 19 11.718 -11.578 3.255
130 H TYR 20 H TYR 20 7.313 -8.449 -1.240
131 HA TYR 20 HA TYR 20 9.487 -9.160 -3.131
132 HB2 TYR 20 HB3 TYR 20 6.641 -10.133 -2.815
133 HB3 TYR 20 HB2 TYR 20 7.719 -10.660 -4.111
134 HD1 TYR 20 HD2 TYR 20 10.002 -11.642 -3.445
135 HD2 TYR 20 HD1 TYR 20 6.748 -11.156 -0.683
136 HE1 TYR 20 HE2 TYR 20 11.059 -13.275 -1.909
137 HE2 TYR 20 HE1 TYR 20 7.807 -12.786 0.854
138 HH TYR 20 HH TYR 20 11.014 -13.803 0.525
139 H SER 21 H SER 21 6.239 -7.626 -3.162
140 HA SER 21 HA SER 21 7.082 -6.325 -5.720
141 HB2 SER 21 HB3 SER 21 5.257 -8.227 -5.777
142 HB3 SER 21 HB2 SER 21 4.200 -6.938 -5.211
143 HG SER 21 HG SER 21 5.702 -5.951 -7.150
144 HA PRO 22 HA PRO 22 5.689 -3.151 -2.607
145 HB2 PRO 22 HB3 PRO 22 7.951 -1.608 -2.762
146 HB3 PRO 22 HB2 PRO 22 7.743 -2.931 -1.602
147 HG2 PRO 22 HG3 PRO 22 9.294 -2.854 -4.120
148 HG3 PRO 22 HG2 PRO 22 9.614 -3.732 -2.618
149 HD2 PRO 22 HD3 PRO 22 8.573 -4.880 -4.918
150 HD3 PRO 22 HD2 PRO 22 8.400 -5.560 -3.286
151 H LYS 23 H LYS 23 6.844 -3.187 -5.850
152 HA LYS 23 HA LYS 23 6.574 -0.457 -6.593
153 HB2 LYS 23 HB3 LYS 23 7.579 -2.248 -8.025
154 HB3 LYS 23 HB2 LYS 23 5.956 -2.887 -8.302
155 HG2 LYS 23 HG3 LYS 23 5.277 -0.686 -9.243
156 HG3 LYS 23 HG2 LYS 23 6.932 -0.107 -9.033
157 HD2 LYS 23 HD3 LYS 23 7.710 -2.004 -10.485
158 HD3 LYS 23 HD2 LYS 23 6.020 -2.405 -10.792
159 HE2 LYS 23 HE3 LYS 23 7.431 0.184 -11.494
160 HE3 LYS 23 HE2 LYS 23 6.809 -1.024 -12.617
161 HZ1 LYS 23 HZ1 LYS 23 4.599 -0.547 -11.310
162 HZ2 LYS 23 HZ2 LYS 23 5.083 0.437 -12.610
163 HZ3 LYS 23 HZ3 LYS 23 5.352 0.943 -11.009
164 H TYR 24 H TYR 24 4.130 -3.005 -6.235
165 HA TYR 24 HA TYR 24 2.057 -1.078 -7.175
166 HB2 TYR 24 HB3 TYR 24 1.724 -4.009 -6.482
167 HB3 TYR 24 HB2 TYR 24 0.582 -2.983 -7.352
168 HD1 TYR 24 HD2 TYR 24 1.008 -2.291 -9.669
169 HD2 TYR 24 HD1 TYR 24 3.742 -4.837 -7.553
170 HE1 TYR 24 HE2 TYR 24 2.122 -2.877 -11.806
171 HE2 TYR 24 HE1 TYR 24 4.852 -5.425 -9.688
172 HH TYR 24 HH TYR 24 3.759 -5.311 -12.416
173 H MET 25 H MET 25 3.356 -2.428 -4.284
174 HA MET 25 HA MET 25 0.892 -2.083 -2.728
175 HB2 MET 25 HB3 MET 25 3.757 -2.544 -1.850
176 HB3 MET 25 HB2 MET 25 2.359 -2.557 -0.782
177 HG2 MET 25 HG3 MET 25 2.632 -4.383 -3.181
178 HG3 MET 25 HG2 MET 25 3.097 -4.851 -1.545
179 HE1 MET 25 HE1 MET 25 0.278 -5.234 0.521
180 HE2 MET 25 HE2 MET 25 0.395 -3.492 0.322
181 HE3 MET 25 HE3 MET 25 1.859 -4.465 0.343
182 H GLY 26 H GLY 26 3.997 -0.391 -3.100
183 HA2 GLY 26 HA3 GLY 26 3.461 1.683 -1.217
184 HA3 GLY 26 HA2 GLY 26 4.600 1.808 -2.558
185 H HIS 27 H HIS 27 2.393 1.140 -4.483
186 HA HIS 27 HA HIS 27 1.419 3.903 -4.806
187 HB2 HIS 27 HB3 HIS 27 2.323 2.573 -6.737
188 HB3 HIS 27 HB2 HIS 27 0.948 1.482 -6.571
189 HD2 HIS 27 HD2 HIS 27 -1.602 2.681 -7.246
190 HE1 HIS 27 HE1 HIS 27 0.094 6.087 -9.080
191 HE2 HIS 27 HE2 HIS 27 -2.050 4.772 -8.740
192 H TYR 28 H TYR 28 0.331 1.006 -3.417
193 HA TYR 28 HA TYR 28 -2.480 2.007 -3.510
194 HB2 TYR 28 HB3 TYR 28 -1.366 -0.752 -3.825
195 HB3 TYR 28 HB2 TYR 28 -2.952 -0.553 -3.074
196 HD1 TYR 28 HD2 TYR 28 -0.970 0.042 -6.151
197 HD2 TYR 28 HD1 TYR 28 -4.862 0.185 -4.336
198 HE1 TYR 28 HE2 TYR 28 -2.000 0.348 -8.386
199 HE2 TYR 28 HE1 TYR 28 -5.889 0.494 -6.571
200 HH TYR 28 HH TYR 28 -5.070 -0.196 -9.078
201 H CYS 29 H CYS 29 -0.203 -0.003 -1.625
202 HA CYS 29 HA CYS 29 -1.708 0.828 0.808
203 HB2 CYS 29 HB3 CYS 29 0.325 -1.371 0.803
204 HB3 CYS 29 HB2 CYS 29 -1.102 -1.179 1.816
205 H LYS 30 H LYS 30 -0.743 2.536 1.789
206 HA LYS 30 HA LYS 30 2.155 2.969 1.474
207 HB2 LYS 30 HB3 LYS 30 0.484 4.670 3.270
208 HB3 LYS 30 HB2 LYS 30 1.762 5.147 2.155
209 HG2 LYS 30 HG3 LYS 30 -1.038 4.267 1.398
210 HG3 LYS 30 HG2 LYS 30 -0.405 5.907 1.305
211 HD2 LYS 30 HD3 LYS 30 0.949 3.656 -0.181
212 HD3 LYS 30 HD2 LYS 30 -0.452 4.472 -0.865
213 HE2 LYS 30 HE3 LYS 30 2.086 5.851 0.047
214 HE3 LYS 30 HE2 LYS 30 1.664 5.501 -1.629
215 HZ1 LYS 30 HZ1 LYS 30 0.475 7.349 -1.683
216 HZ2 LYS 30 HZ2 LYS 30 0.893 7.693 -0.074
217 HZ3 LYS 30 HZ3 LYS 30 -0.505 6.792 -0.417
218 H LYS 31 H LYS 31 -0.146 2.605 4.174
219 HA LYS 31 HA LYS 31 1.853 2.409 6.221
220 HB2 LYS 31 HB3 LYS 31 -1.013 1.473 6.037
221 HB3 LYS 31 HB2 LYS 31 -0.049 1.282 7.498
222 HG2 LYS 31 HG3 LYS 31 0.084 3.574 7.878
223 HG3 LYS 31 HG2 LYS 31 -0.176 3.973 6.180
224 HD2 LYS 31 HD3 LYS 31 -2.280 4.468 6.883
225 HD3 LYS 31 HD2 LYS 31 -2.530 2.730 6.763
226 HE2 LYS 31 HE3 LYS 31 -1.780 4.296 9.241
227 HE3 LYS 31 HE2 LYS 31 -3.296 3.449 8.943
228 HZ1 LYS 31 HZ1 LYS 31 -2.016 1.373 8.803
229 HZ2 LYS 31 HZ2 LYS 31 -1.889 2.114 10.325
230 HZ3 LYS 31 HZ3 LYS 31 -0.610 2.222 9.214
231 H ALA 32 H ALA 32 -0.036 -0.076 4.502
232 HA ALA 32 HA ALA 32 1.100 -2.349 5.715
233 HB1 ALA 32 HB1 ALA 32 -0.014 -3.539 4.107
234 HB2 ALA 32 HB2 ALA 32 0.562 -2.510 2.797
235 HB3 ALA 32 HB3 ALA 32 -0.779 -1.981 3.816
236 H CYS 33 H CYS 33 2.460 -0.121 3.434
237 HA CYS 33 HA CYS 33 4.778 -1.958 3.030
238 HB2 CYS 33 HB3 CYS 33 3.377 -0.275 1.231
239 HB3 CYS 33 HB2 CYS 33 4.955 0.461 1.482
240 H GLY 34 H GLY 34 6.828 -0.281 2.637
241 HA2 GLY 34 HA3 GLY 34 7.239 0.824 5.304
242 HA3 GLY 34 HA2 GLY 34 8.429 0.790 4.005
243 H LEU 35 H LEU 35 5.203 2.173 3.507
244 HA LEU 35 HA LEU 35 6.557 4.778 3.024
245 HB2 LEU 35 HB3 LEU 35 3.661 4.044 2.546
246 HB3 LEU 35 HB2 LEU 35 4.520 5.441 1.903
247 HG LEU 35 HG LEU 35 4.863 2.536 1.180
248 HD11 LEU 35 HD11 LEU 35 4.208 5.087 -0.295
249 HD12 LEU 35 HD12 LEU 35 3.249 3.611 -0.192
250 HD13 LEU 35 HD13 LEU 35 4.733 3.635 -1.142
251 HD21 LEU 35 HD21 LEU 35 6.769 4.844 0.754
252 HD22 LEU 35 HD22 LEU 35 6.789 3.404 -0.263
253 HD23 LEU 35 HD23 LEU 35 7.118 3.267 1.463
254 H CYS 36 H CYS 36 4.445 3.173 5.261
255 HA CYS 36 HA CYS 36 4.654 5.400 7.128
256 HB2 CYS 36 HB3 CYS 36 2.467 5.363 5.301
257 HB3 CYS 36 HB2 CYS 36 1.832 5.008 6.907
Start of MODEL 6
1 HA VAL 1 HA VAL 1 -1.916 12.080 3.866
2 HB VAL 1 HB VAL 1 -2.153 11.000 6.006
3 HG11 VAL 1 HG11 VAL 1 -3.513 12.573 6.971
4 HG12 VAL 1 HG12 VAL 1 -4.850 12.241 5.868
5 HG13 VAL 1 HG13 VAL 1 -3.499 13.248 5.342
6 HG21 VAL 1 HG21 VAL 1 -4.705 10.122 6.342
7 HG22 VAL 1 HG22 VAL 1 -3.376 9.070 5.851
8 HG23 VAL 1 HG23 VAL 1 -4.466 9.741 4.637
9 H CYS 2 H CYS 2 -1.633 9.363 5.182
10 HA CYS 2 HA CYS 2 -1.214 7.804 2.661
11 HB2 CYS 2 HB3 CYS 2 0.642 6.704 3.798
12 HB3 CYS 2 HB2 CYS 2 0.856 8.448 3.928
13 H GLU 3 H GLU 3 -2.407 5.958 2.488
14 HA GLU 3 HA GLU 3 -3.050 4.331 4.814
15 HB2 GLU 3 HB3 GLU 3 -5.425 4.594 4.822
16 HB3 GLU 3 HB2 GLU 3 -4.758 6.226 4.847
17 HG2 GLU 3 HG3 GLU 3 -4.987 6.289 2.346
18 HG3 GLU 3 HG2 GLU 3 -5.827 4.742 2.433
19 H ASP 4 H ASP 4 -4.179 2.320 4.158
20 HA ASP 4 HA ASP 4 -3.186 1.346 1.662
21 HB2 ASP 4 HB3 ASP 4 -4.536 -0.670 2.141
22 HB3 ASP 4 HB2 ASP 4 -3.580 -0.169 3.531
23 H LEU 5 H LEU 5 -3.981 1.633 -0.325
24 HA LEU 5 HA LEU 5 -6.533 2.950 -0.763
25 HB2 LEU 5 HB3 LEU 5 -4.612 1.614 -2.697
26 HB3 LEU 5 HB2 LEU 5 -5.989 2.602 -3.174
27 HG LEU 5 HG LEU 5 -3.622 3.526 -1.512
28 HD11 LEU 5 HD11 LEU 5 -4.178 4.987 -3.950
29 HD12 LEU 5 HD12 LEU 5 -3.929 3.276 -4.297
30 HD13 LEU 5 HD13 LEU 5 -2.686 4.194 -3.446
31 HD21 LEU 5 HD21 LEU 5 -4.857 5.796 -2.137
32 HD22 LEU 5 HD22 LEU 5 -5.328 4.875 -0.708
33 HD23 LEU 5 HD23 LEU 5 -6.271 4.741 -2.194
34 H ASN 6 H ASN 6 -5.317 -0.359 -1.022
35 HA ASN 6 HA ASN 6 -8.040 -1.275 -1.820
36 HB2 ASN 6 HB3 ASN 6 -5.284 -2.273 -2.237
37 HB3 ASN 6 HB2 ASN 6 -6.485 -3.517 -1.884
38 HD21 ASN 6 HD21 ASN 6 -5.088 -1.943 -4.452
39 HD22 ASN 6 HD22 ASN 6 -6.357 -2.051 -5.573
40 H ALA 7 H ALA 7 -9.181 -2.735 -0.510
41 HA ALA 7 HA ALA 7 -8.499 -2.729 2.314
42 HB1 ALA 7 HB1 ALA 7 -10.471 -4.728 1.648
43 HB2 ALA 7 HB2 ALA 7 -10.812 -3.241 0.762
44 HB3 ALA 7 HB3 ALA 7 -10.690 -3.210 2.522
45 H HIS 8 H HIS 8 -7.616 -4.652 -0.342
46 HA HIS 8 HA HIS 8 -7.116 -7.076 1.270
47 HB2 HIS 8 HB3 HIS 8 -6.585 -6.418 -1.642
48 HB3 HIS 8 HB2 HIS 8 -6.240 -7.980 -0.895
49 HD2 HIS 8 HD2 HIS 8 -9.301 -7.483 0.878
50 HE1 HIS 8 HE1 HIS 8 -10.762 -8.474 -2.959
51 HE2 HIS 8 HE2 HIS 8 -11.374 -8.251 -0.507
52 H CYS 9 H CYS 9 -5.627 -4.192 1.024
53 HA CYS 9 HA CYS 9 -2.943 -4.632 0.371
54 HB2 CYS 9 HB3 CYS 9 -4.317 -2.868 2.367
55 HB3 CYS 9 HB2 CYS 9 -2.554 -2.946 2.355
56 H GLU 10 H GLU 10 -4.554 -5.265 3.500
57 HA GLU 10 HA GLU 10 -2.198 -6.246 4.801
58 HB2 GLU 10 HB3 GLU 10 -4.393 -5.613 5.920
59 HB3 GLU 10 HB2 GLU 10 -5.032 -7.156 5.348
60 HG2 GLU 10 HG3 GLU 10 -3.177 -8.329 6.518
61 HG3 GLU 10 HG2 GLU 10 -2.622 -6.778 7.147
62 H MET 11 H MET 11 -4.696 -7.766 2.819
63 HA MET 11 HA MET 11 -3.880 -10.478 3.161
64 HB2 MET 11 HB3 MET 11 -5.176 -9.116 0.780
65 HB3 MET 11 HB2 MET 11 -5.035 -10.861 0.983
66 HG2 MET 11 HG3 MET 11 -6.309 -10.673 3.124
67 HG3 MET 11 HG2 MET 11 -6.529 -8.952 2.805
68 HE1 MET 11 HE1 MET 11 -9.081 -8.899 2.770
69 HE2 MET 11 HE2 MET 11 -8.941 -10.540 3.397
70 HE3 MET 11 HE3 MET 11 -10.073 -10.198 2.091
71 H TRP 12 H TRP 12 -2.695 -7.885 1.099
72 HA TRP 12 HA TRP 12 -0.933 -9.705 -0.397
73 HB2 TRP 12 HB3 TRP 12 -1.062 -6.680 -0.432
74 HB3 TRP 12 HB2 TRP 12 -0.269 -7.704 -1.621
75 HD1 TRP 12 HD1 TRP 12 -2.890 -9.834 -1.396
76 HE1 TRP 12 HE1 TRP 12 -4.943 -9.221 -2.829
77 HE3 TRP 12 HE3 TRP 12 -1.939 -4.887 -2.220
78 HZ2 TRP 12 HZ2 TRP 12 -6.040 -6.928 -4.148
79 HZ3 TRP 12 HZ3 TRP 12 -3.502 -3.512 -3.564
80 HH2 TRP 12 HH2 TRP 12 -5.549 -4.526 -4.527
81 H GLN 13 H GLN 13 -0.533 -7.051 1.977
82 HA GLN 13 HA GLN 13 2.332 -7.196 2.020
83 HB2 GLN 13 HB3 GLN 13 2.230 -5.705 3.835
84 HB3 GLN 13 HB2 GLN 13 0.742 -5.357 2.954
85 HG2 GLN 13 HG3 GLN 13 -0.043 -5.579 5.150
86 HG3 GLN 13 HG2 GLN 13 -0.290 -7.202 4.507
87 HE21 GLN 13 HE21 GLN 13 0.017 -8.323 6.520
88 HE22 GLN 13 HE22 GLN 13 1.510 -8.355 7.326
89 H GLN 14 H GLN 14 -0.195 -8.884 3.808
90 HA GLN 14 HA GLN 14 1.521 -10.072 5.763
91 HB2 GLN 14 HB3 GLN 14 -0.311 -11.488 6.289
92 HB3 GLN 14 HB2 GLN 14 -1.051 -9.994 5.719
93 HG2 GLN 14 HG3 GLN 14 -1.153 -11.046 3.416
94 HG3 GLN 14 HG2 GLN 14 -0.689 -12.570 4.175
95 HE21 GLN 14 HE21 GLN 14 -2.798 -10.102 5.668
96 HE22 GLN 14 HE22 GLN 14 -4.189 -11.074 5.702
97 H LEU 15 H LEU 15 0.846 -10.807 2.418
98 HA LEU 15 HA LEU 15 2.205 -13.420 2.580
99 HB2 LEU 15 HB3 LEU 15 1.142 -11.868 0.200
100 HB3 LEU 15 HB2 LEU 15 1.762 -13.519 0.142
101 HG LEU 15 HG LEU 15 -0.622 -12.570 1.761
102 HD11 LEU 15 HD11 LEU 15 -1.754 -14.271 0.166
103 HD12 LEU 15 HD12 LEU 15 -0.309 -14.084 -0.829
104 HD13 LEU 15 HD13 LEU 15 -1.331 -12.688 -0.490
105 HD21 LEU 15 HD21 LEU 15 0.941 -15.118 1.652
106 HD22 LEU 15 HD22 LEU 15 -0.809 -15.229 1.837
107 HD23 LEU 15 HD23 LEU 15 0.150 -14.350 3.027
108 H GLY 16 H GLY 16 3.120 -10.198 2.362
109 HA2 GLY 16 HA3 GLY 16 5.451 -9.551 2.344
110 HA3 GLY 16 HA2 GLY 16 5.822 -11.013 1.439
111 H HIS 17 H HIS 17 3.076 -9.394 0.196
112 HA HIS 17 HA HIS 17 4.193 -8.957 -2.343
113 HB2 HIS 17 HB3 HIS 17 1.901 -7.590 -0.929
114 HB3 HIS 17 HB2 HIS 17 2.348 -7.180 -2.587
115 HD2 HIS 17 HD2 HIS 17 2.389 -10.902 -1.265
116 HE1 HIS 17 HE1 HIS 17 -0.574 -10.573 -4.257
117 HE2 HIS 17 HE2 HIS 17 0.650 -12.186 -2.727
118 H CYS 18 H CYS 18 4.394 -6.930 0.531
119 HA CYS 18 HA CYS 18 5.457 -4.621 -0.897
120 HB2 CYS 18 HB3 CYS 18 5.107 -5.429 1.960
121 HB3 CYS 18 HB2 CYS 18 6.326 -4.204 1.607
122 H GLN 19 H GLN 19 6.749 -7.357 0.910
123 HA GLN 19 HA GLN 19 9.522 -6.571 0.622
124 HB2 GLN 19 HB3 GLN 19 8.628 -8.093 2.410
125 HB3 GLN 19 HB2 GLN 19 8.369 -9.319 1.170
126 HG2 GLN 19 HG3 GLN 19 10.774 -9.271 0.612
127 HG3 GLN 19 HG2 GLN 19 11.037 -8.054 1.863
128 HE21 GLN 19 HE21 GLN 19 12.416 -10.480 2.107
129 HE22 GLN 19 HE22 GLN 19 11.758 -11.387 3.381
130 H TYR 20 H TYR 20 7.235 -8.475 -1.229
131 HA TYR 20 HA TYR 20 9.391 -9.317 -3.089
132 HB2 TYR 20 HB3 TYR 20 6.486 -10.157 -2.895
133 HB3 TYR 20 HB2 TYR 20 7.664 -10.825 -4.028
134 HD1 TYR 20 HD1 TYR 20 9.970 -11.563 -2.859
135 HD2 TYR 20 HD2 TYR 20 6.156 -11.316 -0.898
136 HE1 TYR 20 HE1 TYR 20 10.767 -13.129 -1.110
137 HE2 TYR 20 HE2 TYR 20 6.955 -12.882 0.853
138 HH TYR 20 HH TYR 20 8.756 -13.926 1.702
139 H SER 21 H SER 21 6.175 -7.719 -3.196
140 HA SER 21 HA SER 21 7.074 -6.476 -5.769
141 HB2 SER 21 HB3 SER 21 5.270 -8.317 -5.919
142 HB3 SER 21 HB2 SER 21 4.196 -7.142 -5.165
143 HG SER 21 HG SER 21 5.117 -5.712 -6.940
144 HA PRO 22 HA PRO 22 5.733 -3.226 -2.693
145 HB2 PRO 22 HB3 PRO 22 8.008 -1.719 -2.832
146 HB3 PRO 22 HB2 PRO 22 7.799 -3.060 -1.692
147 HG2 PRO 22 HG3 PRO 22 9.295 -2.965 -4.253
148 HG3 PRO 22 HG2 PRO 22 9.676 -3.822 -2.751
149 HD2 PRO 22 HD3 PRO 22 8.590 -5.031 -4.985
150 HD3 PRO 22 HD2 PRO 22 8.419 -5.659 -3.331
151 H LYS 23 H LYS 23 6.888 -3.298 -5.931
152 HA LYS 23 HA LYS 23 6.721 -0.577 -6.689
153 HB2 LYS 23 HB3 LYS 23 7.626 -2.380 -8.134
154 HB3 LYS 23 HB2 LYS 23 5.991 -3.003 -8.355
155 HG2 LYS 23 HG3 LYS 23 5.317 -0.795 -9.297
156 HG3 LYS 23 HG2 LYS 23 6.990 -0.254 -9.157
157 HD2 LYS 23 HD3 LYS 23 7.680 -2.165 -10.617
158 HD3 LYS 23 HD2 LYS 23 5.975 -2.565 -10.836
159 HE2 LYS 23 HE3 LYS 23 7.359 0.009 -11.637
160 HE3 LYS 23 HE2 LYS 23 6.664 -1.204 -12.715
161 HZ1 LYS 23 HZ1 LYS 23 4.752 -0.125 -12.576
162 HZ2 LYS 23 HZ2 LYS 23 5.387 0.965 -11.439
163 HZ3 LYS 23 HZ3 LYS 23 4.677 -0.488 -10.922
164 H TYR 24 H TYR 24 4.154 -2.986 -6.273
165 HA TYR 24 HA TYR 24 2.177 -0.933 -7.166
166 HB2 TYR 24 HB3 TYR 24 1.678 -3.865 -6.594
167 HB3 TYR 24 HB2 TYR 24 0.622 -2.746 -7.456
168 HD1 TYR 24 HD1 TYR 24 3.707 -4.744 -7.638
169 HD2 TYR 24 HD2 TYR 24 1.128 -2.029 -9.742
170 HE1 TYR 24 HE1 TYR 24 4.849 -5.310 -9.764
171 HE2 TYR 24 HE2 TYR 24 2.270 -2.593 -11.870
172 HH TYR 24 HH TYR 24 5.216 -4.242 -11.994
173 H MET 25 H MET 25 3.421 -2.468 -4.345
174 HA MET 25 HA MET 25 1.009 -2.112 -2.727
175 HB2 MET 25 HB3 MET 25 3.894 -2.558 -1.903
176 HB3 MET 25 HB2 MET 25 2.503 -2.641 -0.828
177 HG2 MET 25 HG3 MET 25 2.817 -4.374 -3.291
178 HG3 MET 25 HG2 MET 25 3.280 -4.888 -1.668
179 HE1 MET 25 HE1 MET 25 0.484 -5.442 0.349
180 HE2 MET 25 HE2 MET 25 0.532 -3.688 0.237
181 HE3 MET 25 HE3 MET 25 2.032 -4.608 0.211
182 H GLY 26 H GLY 26 4.116 -0.421 -3.115
183 HA2 GLY 26 HA3 GLY 26 3.613 1.628 -1.199
184 HA3 GLY 26 HA2 GLY 26 4.730 1.771 -2.556
185 H HIS 27 H HIS 27 2.492 1.136 -4.455
186 HA HIS 27 HA HIS 27 1.504 3.905 -4.694
187 HB2 HIS 27 HB3 HIS 27 2.434 2.670 -6.665
188 HB3 HIS 27 HB2 HIS 27 1.080 1.547 -6.551
189 HD2 HIS 27 HD2 HIS 27 -1.371 2.547 -7.527
190 HE1 HIS 27 HE1 HIS 27 0.058 6.372 -8.605
191 HE2 HIS 27 HE2 HIS 27 -1.918 4.787 -8.748
192 H TYR 28 H TYR 28 0.430 0.953 -3.401
193 HA TYR 28 HA TYR 28 -2.394 1.939 -3.485
194 HB2 TYR 28 HB3 TYR 28 -1.263 -0.811 -3.845
195 HB3 TYR 28 HB2 TYR 28 -2.847 -0.634 -3.089
196 HD1 TYR 28 HD2 TYR 28 -0.870 0.023 -6.149
197 HD2 TYR 28 HD1 TYR 28 -4.769 0.105 -4.343
198 HE1 TYR 28 HE2 TYR 28 -1.897 0.362 -8.380
199 HE2 TYR 28 HE1 TYR 28 -5.795 0.446 -6.574
200 HH TYR 28 HH TYR 28 -4.042 0.032 -9.485
201 H CYS 29 H CYS 29 -0.082 -0.061 -1.653
202 HA CYS 29 HA CYS 29 -1.622 0.614 0.808
203 HB2 CYS 29 HB3 CYS 29 0.519 -1.489 0.629
204 HB3 CYS 29 HB2 CYS 29 -0.837 -1.382 1.754
205 H LYS 30 H LYS 30 -0.750 2.343 1.831
206 HA LYS 30 HA LYS 30 2.128 2.907 1.554
207 HB2 LYS 30 HB3 LYS 30 0.355 4.501 3.351
208 HB3 LYS 30 HB2 LYS 30 1.622 5.055 2.257
209 HG2 LYS 30 HG3 LYS 30 -1.126 4.047 1.460
210 HG3 LYS 30 HG2 LYS 30 -0.563 5.713 1.370
211 HD2 LYS 30 HD3 LYS 30 0.895 3.511 -0.093
212 HD3 LYS 30 HD2 LYS 30 -0.513 4.292 -0.801
213 HE2 LYS 30 HE3 LYS 30 1.921 5.788 0.208
214 HE3 LYS 30 HE2 LYS 30 1.651 5.356 -1.479
215 HZ1 LYS 30 HZ1 LYS 30 0.606 7.314 -1.571
216 HZ2 LYS 30 HZ2 LYS 30 0.420 7.421 0.114
217 HZ3 LYS 30 HZ3 LYS 30 -0.679 6.510 -0.809
218 H LYS 31 H LYS 31 -0.184 2.502 4.238
219 HA LYS 31 HA LYS 31 1.756 2.322 6.324
220 HB2 LYS 31 HB3 LYS 31 -1.038 1.184 6.062
221 HB3 LYS 31 HB2 LYS 31 -0.113 1.181 7.559
222 HG2 LYS 31 HG3 LYS 31 -0.205 3.499 7.787
223 HG3 LYS 31 HG2 LYS 31 -0.463 3.759 6.060
224 HD2 LYS 31 HD3 LYS 31 -2.589 4.164 6.898
225 HD3 LYS 31 HD2 LYS 31 -2.711 2.452 6.507
226 HE2 LYS 31 HE3 LYS 31 -2.142 3.655 9.230
227 HE3 LYS 31 HE2 LYS 31 -3.598 2.787 8.740
228 HZ1 LYS 31 HZ1 LYS 31 -0.876 1.729 9.166
229 HZ2 LYS 31 HZ2 LYS 31 -2.003 0.888 8.209
230 HZ3 LYS 31 HZ3 LYS 31 -2.337 1.201 9.844
231 H ALA 32 H ALA 32 0.017 -0.191 4.520
232 HA ALA 32 HA ALA 32 1.178 -2.451 5.746
233 HB1 ALA 32 HB1 ALA 32 0.690 -2.571 2.816
234 HB2 ALA 32 HB2 ALA 32 -0.680 -2.117 3.833
235 HB3 ALA 32 HB3 ALA 32 0.140 -3.652 4.094
236 H CYS 33 H CYS 33 2.503 -0.186 3.471
237 HA CYS 33 HA CYS 33 4.887 -1.940 3.113
238 HB2 CYS 33 HB3 CYS 33 3.441 -0.233 1.327
239 HB3 CYS 33 HB2 CYS 33 5.060 0.419 1.531
240 H GLY 34 H GLY 34 6.900 -0.225 2.773
241 HA2 GLY 34 HA3 GLY 34 7.208 0.927 5.430
242 HA3 GLY 34 HA2 GLY 34 8.426 0.929 4.155
243 H LEU 35 H LEU 35 5.144 2.195 3.662
244 HA LEU 35 HA LEU 35 6.411 4.853 3.182
245 HB2 LEU 35 HB3 LEU 35 3.578 3.997 2.570
246 HB3 LEU 35 HB2 LEU 35 4.416 5.411 1.948
247 HG LEU 35 HG LEU 35 4.905 2.512 1.286
248 HD11 LEU 35 HD11 LEU 35 4.792 3.519 -1.048
249 HD12 LEU 35 HD12 LEU 35 4.263 5.015 -0.283
250 HD13 LEU 35 HD13 LEU 35 3.285 3.554 -0.136
251 HD21 LEU 35 HD21 LEU 35 7.110 3.342 1.657
252 HD22 LEU 35 HD22 LEU 35 6.725 4.896 0.918
253 HD23 LEU 35 HD23 LEU 35 6.853 3.448 -0.083
254 H CYS 36 H CYS 36 4.239 3.165 5.302
255 HA CYS 36 HA CYS 36 4.171 5.476 7.105
256 HB2 CYS 36 HB3 CYS 36 1.983 4.919 5.291
257 HB3 CYS 36 HB2 CYS 36 1.458 4.735 6.963
Start of MODEL 7
1 HA VAL 1 HA VAL 1 -1.071 11.590 4.416
2 HB VAL 1 HB VAL 1 -3.204 12.579 3.561
3 HG11 VAL 1 HG11 VAL 1 -4.456 11.462 1.832
4 HG12 VAL 1 HG12 VAL 1 -3.295 10.135 1.768
5 HG13 VAL 1 HG13 VAL 1 -2.836 11.739 1.195
6 HG21 VAL 1 HG21 VAL 1 -2.808 10.233 5.022
7 HG22 VAL 1 HG22 VAL 1 -4.034 9.789 3.833
8 HG23 VAL 1 HG23 VAL 1 -4.314 11.147 4.922
9 H CYS 2 H CYS 2 -1.156 9.314 4.830
10 HA CYS 2 HA CYS 2 -0.542 7.585 2.465
11 HB2 CYS 2 HB3 CYS 2 1.177 6.463 3.689
12 HB3 CYS 2 HB2 CYS 2 1.470 8.180 3.941
13 H GLU 3 H GLU 3 -1.958 5.886 2.337
14 HA GLU 3 HA GLU 3 -2.905 4.523 4.735
15 HB2 GLU 3 HB3 GLU 3 -5.183 5.124 4.686
16 HB3 GLU 3 HB2 GLU 3 -4.347 6.659 4.453
17 HG2 GLU 3 HG3 GLU 3 -4.578 6.300 1.957
18 HG3 GLU 3 HG2 GLU 3 -5.622 4.927 2.321
19 H ASP 4 H ASP 4 -4.240 2.640 4.191
20 HA ASP 4 HA ASP 4 -3.324 1.282 1.851
21 HB2 ASP 4 HB3 ASP 4 -5.005 -0.437 2.468
22 HB3 ASP 4 HB2 ASP 4 -4.053 0.077 3.861
23 H LEU 5 H LEU 5 -4.342 0.902 -0.138
24 HA LEU 5 HA LEU 5 -6.698 2.653 -0.699
25 HB2 LEU 5 HB3 LEU 5 -4.600 1.462 -2.538
26 HB3 LEU 5 HB2 LEU 5 -6.019 2.338 -3.110
27 HG LEU 5 HG LEU 5 -3.881 3.454 -1.267
28 HD11 LEU 5 HD11 LEU 5 -4.080 3.240 -4.140
29 HD12 LEU 5 HD12 LEU 5 -2.781 3.942 -3.174
30 HD13 LEU 5 HD13 LEU 5 -4.150 4.935 -3.665
31 HD21 LEU 5 HD21 LEU 5 -5.694 4.739 -0.667
32 HD22 LEU 5 HD22 LEU 5 -6.561 4.393 -2.165
33 HD23 LEU 5 HD23 LEU 5 -5.268 5.591 -2.152
34 H ASN 6 H ASN 6 -5.423 -0.617 -0.965
35 HA ASN 6 HA ASN 6 -8.066 -1.550 -1.983
36 HB2 ASN 6 HB3 ASN 6 -5.267 -2.517 -2.206
37 HB3 ASN 6 HB2 ASN 6 -6.496 -3.770 -2.018
38 HD21 ASN 6 HD21 ASN 6 -4.830 -2.494 -4.438
39 HD22 ASN 6 HD22 ASN 6 -6.016 -2.367 -5.645
40 H ALA 7 H ALA 7 -9.309 -2.964 -0.746
41 HA ALA 7 HA ALA 7 -8.879 -3.009 2.098
42 HB1 ALA 7 HB1 ALA 7 -10.711 -4.870 1.926
43 HB2 ALA 7 HB2 ALA 7 -10.778 -4.407 0.224
44 HB3 ALA 7 HB3 ALA 7 -11.134 -3.217 1.476
45 H HIS 8 H HIS 8 -7.685 -4.934 -0.478
46 HA HIS 8 HA HIS 8 -7.083 -7.237 1.273
47 HB2 HIS 8 HB3 HIS 8 -6.601 -6.689 -1.666
48 HB3 HIS 8 HB2 HIS 8 -6.015 -8.139 -0.851
49 HD2 HIS 8 HD2 HIS 8 -9.515 -6.449 -1.625
50 HE1 HIS 8 HE1 HIS 8 -10.135 -10.540 -0.792
51 HE2 HIS 8 HE2 HIS 8 -11.259 -8.381 -1.518
52 H CYS 9 H CYS 9 -5.811 -4.299 1.097
53 HA CYS 9 HA CYS 9 -3.084 -4.522 0.478
54 HB2 CYS 9 HB3 CYS 9 -4.652 -2.858 2.405
55 HB3 CYS 9 HB2 CYS 9 -2.893 -2.847 2.537
56 H GLU 10 H GLU 10 -4.685 -5.284 3.595
57 HA GLU 10 HA GLU 10 -2.262 -6.149 4.883
58 HB2 GLU 10 HB3 GLU 10 -4.447 -5.581 6.049
59 HB3 GLU 10 HB2 GLU 10 -5.065 -7.136 5.484
60 HG2 GLU 10 HG3 GLU 10 -3.163 -8.273 6.620
61 HG3 GLU 10 HG2 GLU 10 -2.635 -6.712 7.250
62 H MET 11 H MET 11 -4.740 -7.798 2.967
63 HA MET 11 HA MET 11 -3.846 -10.474 3.360
64 HB2 MET 11 HB3 MET 11 -5.112 -9.252 0.893
65 HB3 MET 11 HB2 MET 11 -5.013 -10.977 1.248
66 HG2 MET 11 HG3 MET 11 -6.490 -8.889 2.875
67 HG3 MET 11 HG2 MET 11 -7.222 -10.144 1.876
68 HE1 MET 11 HE1 MET 11 -5.117 -12.842 2.828
69 HE2 MET 11 HE2 MET 11 -6.582 -12.414 1.944
70 HE3 MET 11 HE3 MET 11 -6.699 -13.364 3.422
71 H TRP 12 H TRP 12 -2.711 -7.909 1.254
72 HA TRP 12 HA TRP 12 -0.931 -9.729 -0.211
73 HB2 TRP 12 HB3 TRP 12 -1.073 -6.708 -0.290
74 HB3 TRP 12 HB2 TRP 12 -0.296 -7.754 -1.469
75 HD1 TRP 12 HD1 TRP 12 -2.963 -9.847 -1.067
76 HE1 TRP 12 HE1 TRP 12 -5.000 -9.290 -2.540
77 HE3 TRP 12 HE3 TRP 12 -1.885 -5.001 -2.271
78 HZ2 TRP 12 HZ2 TRP 12 -6.042 -7.090 -4.030
79 HZ3 TRP 12 HZ3 TRP 12 -3.421 -3.700 -3.717
80 HH2 TRP 12 HH2 TRP 12 -5.494 -4.734 -4.596
81 H GLN 13 H GLN 13 -0.546 -7.031 2.110
82 HA GLN 13 HA GLN 13 2.311 -7.163 2.144
83 HB2 GLN 13 HB3 GLN 13 2.218 -5.681 3.959
84 HB3 GLN 13 HB2 GLN 13 0.717 -5.345 3.099
85 HG2 GLN 13 HG3 GLN 13 -0.043 -5.576 5.294
86 HG3 GLN 13 HG2 GLN 13 -0.277 -7.204 4.662
87 HE21 GLN 13 HE21 GLN 13 0.057 -8.253 6.738
88 HE22 GLN 13 HE22 GLN 13 1.576 -8.280 7.494
89 H GLN 14 H GLN 14 -0.188 -8.872 3.947
90 HA GLN 14 HA GLN 14 1.574 -10.112 5.827
91 HB2 GLN 14 HB3 GLN 14 -0.261 -11.437 6.446
92 HB3 GLN 14 HB2 GLN 14 -1.028 -9.983 5.806
93 HG2 GLN 14 HG3 GLN 14 -1.140 -11.174 3.565
94 HG3 GLN 14 HG2 GLN 14 -0.671 -12.645 4.417
95 HE21 GLN 14 HE21 GLN 14 -2.794 -10.045 5.673
96 HE22 GLN 14 HE22 GLN 14 -4.172 -11.023 5.824
97 H LEU 15 H LEU 15 0.811 -10.740 2.483
98 HA LEU 15 HA LEU 15 2.125 -13.381 2.543
99 HB2 LEU 15 HB3 LEU 15 0.998 -11.738 0.255
100 HB3 LEU 15 HB2 LEU 15 1.662 -13.364 0.090
101 HG LEU 15 HG LEU 15 -0.678 -12.599 1.857
102 HD11 LEU 15 HD11 LEU 15 -1.929 -14.053 0.205
103 HD12 LEU 15 HD12 LEU 15 -0.493 -14.009 -0.817
104 HD13 LEU 15 HD13 LEU 15 -1.363 -12.517 -0.453
105 HD21 LEU 15 HD21 LEU 15 0.968 -15.054 1.501
106 HD22 LEU 15 HD22 LEU 15 -0.776 -15.284 1.637
107 HD23 LEU 15 HD23 LEU 15 0.111 -14.474 2.928
108 H GLY 16 H GLY 16 3.015 -10.121 2.280
109 HA2 GLY 16 HA3 GLY 16 5.360 -9.487 2.290
110 HA3 GLY 16 HA2 GLY 16 5.730 -10.959 1.395
111 H HIS 17 H HIS 17 2.979 -9.299 0.195
112 HA HIS 17 HA HIS 17 4.098 -8.871 -2.373
113 HB2 HIS 17 HB3 HIS 17 1.769 -7.526 -0.989
114 HB3 HIS 17 HB2 HIS 17 2.177 -7.242 -2.683
115 HD2 HIS 17 HD2 HIS 17 2.444 -10.862 -1.182
116 HE1 HIS 17 HE1 HIS 17 -0.785 -10.813 -3.903
117 HE2 HIS 17 HE2 HIS 17 0.657 -12.294 -2.432
118 H CYS 18 H CYS 18 4.266 -6.912 0.523
119 HA CYS 18 HA CYS 18 5.192 -4.525 -0.901
120 HB2 CYS 18 HB3 CYS 18 4.713 -5.322 1.923
121 HB3 CYS 18 HB2 CYS 18 5.991 -4.133 1.674
122 H GLN 19 H GLN 19 6.589 -7.190 0.949
123 HA GLN 19 HA GLN 19 9.325 -6.270 0.753
124 HB2 GLN 19 HB3 GLN 19 8.479 -7.923 2.457
125 HB3 GLN 19 HB2 GLN 19 8.306 -9.098 1.154
126 HG2 GLN 19 HG3 GLN 19 10.722 -8.861 0.639
127 HG3 GLN 19 HG2 GLN 19 10.884 -7.745 1.994
128 HE21 GLN 19 HE21 GLN 19 12.365 -10.162 2.006
129 HE22 GLN 19 HE22 GLN 19 11.741 -11.190 3.203
130 H TYR 20 H TYR 20 7.208 -8.294 -1.178
131 HA TYR 20 HA TYR 20 9.417 -8.869 -3.082
132 HB2 TYR 20 HB3 TYR 20 6.632 -10.006 -2.777
133 HB3 TYR 20 HB2 TYR 20 7.731 -10.451 -4.081
134 HD1 TYR 20 HD2 TYR 20 10.119 -11.226 -3.368
135 HD2 TYR 20 HD1 TYR 20 6.730 -11.143 -0.736
136 HE1 TYR 20 HE2 TYR 20 11.252 -12.838 -1.863
137 HE2 TYR 20 HE1 TYR 20 7.861 -12.751 0.772
138 HH TYR 20 HH TYR 20 10.003 -14.683 0.112
139 H SER 21 H SER 21 6.256 -7.249 -2.912
140 HA SER 21 HA SER 21 6.864 -6.136 -5.623
141 HB2 SER 21 HB3 SER 21 4.807 -7.886 -5.096
142 HB3 SER 21 HB2 SER 21 4.009 -6.323 -4.955
143 HG SER 21 HG SER 21 5.475 -6.037 -7.029
144 HA PRO 22 HA PRO 22 6.036 -2.745 -2.541
145 HB2 PRO 22 HB3 PRO 22 8.383 -1.399 -2.929
146 HB3 PRO 22 HB2 PRO 22 8.200 -2.702 -1.739
147 HG2 PRO 22 HG3 PRO 22 9.450 -2.758 -4.432
148 HG3 PRO 22 HG2 PRO 22 9.917 -3.602 -2.947
149 HD2 PRO 22 HD3 PRO 22 8.545 -4.788 -5.035
150 HD3 PRO 22 HD2 PRO 22 8.502 -5.370 -3.356
151 H LYS 23 H LYS 23 7.165 -2.895 -5.837
152 HA LYS 23 HA LYS 23 6.811 -0.181 -6.616
153 HB2 LYS 23 HB3 LYS 23 7.960 -1.901 -7.997
154 HB3 LYS 23 HB2 LYS 23 6.398 -2.665 -8.302
155 HG2 LYS 23 HG3 LYS 23 5.570 -0.550 -9.297
156 HG3 LYS 23 HG2 LYS 23 7.154 0.179 -9.032
157 HD2 LYS 23 HD3 LYS 23 8.144 -1.674 -10.434
158 HD3 LYS 23 HD2 LYS 23 6.495 -2.164 -10.831
159 HE2 LYS 23 HE3 LYS 23 8.056 0.105 -11.838
160 HE3 LYS 23 HE2 LYS 23 6.634 -0.674 -12.531
161 HZ1 LYS 23 HZ1 LYS 23 6.074 1.554 -11.930
162 HZ2 LYS 23 HZ2 LYS 23 6.682 1.347 -10.357
163 HZ3 LYS 23 HZ3 LYS 23 5.287 0.510 -10.849
164 H TYR 24 H TYR 24 4.473 -2.820 -6.256
165 HA TYR 24 HA TYR 24 2.354 -0.994 -7.303
166 HB2 TYR 24 HB3 TYR 24 2.096 -3.941 -6.667
167 HB3 TYR 24 HB2 TYR 24 1.018 -2.954 -7.655
168 HD1 TYR 24 HD1 TYR 24 4.286 -4.632 -7.492
169 HD2 TYR 24 HD2 TYR 24 1.629 -2.300 -9.931
170 HE1 TYR 24 HE1 TYR 24 5.656 -5.165 -9.489
171 HE2 TYR 24 HE2 TYR 24 3.002 -2.834 -11.933
172 HH TYR 24 HH TYR 24 5.684 -5.126 -11.757
173 H MET 25 H MET 25 3.537 -2.481 -4.382
174 HA MET 25 HA MET 25 1.005 -2.182 -2.948
175 HB2 MET 25 HB3 MET 25 3.845 -2.686 -2.037
176 HB3 MET 25 HB2 MET 25 2.488 -2.534 -0.923
177 HG2 MET 25 HG3 MET 25 2.592 -4.517 -3.210
178 HG3 MET 25 HG2 MET 25 3.000 -4.912 -1.542
179 HE1 MET 25 HE1 MET 25 1.133 -3.598 0.347
180 HE2 MET 25 HE2 MET 25 1.470 -5.323 0.298
181 HE3 MET 25 HE3 MET 25 -0.195 -4.759 0.425
182 H GLY 26 H GLY 26 4.017 -0.353 -3.271
183 HA2 GLY 26 HA3 GLY 26 3.413 1.668 -1.352
184 HA3 GLY 26 HA2 GLY 26 4.522 1.864 -2.710
185 H HIS 27 H HIS 27 2.353 1.132 -4.632
186 HA HIS 27 HA HIS 27 1.235 3.837 -4.897
187 HB2 HIS 27 HB3 HIS 27 2.150 2.518 -6.852
188 HB3 HIS 27 HB2 HIS 27 0.772 1.429 -6.674
189 HD2 HIS 27 HD2 HIS 27 -1.706 2.493 -7.557
190 HE1 HIS 27 HE1 HIS 27 -0.172 6.200 -8.878
191 HE2 HIS 27 HE2 HIS 27 -2.214 4.695 -8.863
192 H TYR 28 H TYR 28 0.312 0.911 -3.482
193 HA TYR 28 HA TYR 28 -2.551 1.770 -3.545
194 HB2 TYR 28 HB3 TYR 28 -1.294 -0.930 -3.837
195 HB3 TYR 28 HB2 TYR 28 -2.882 -0.802 -3.079
196 HD1 TYR 28 HD2 TYR 28 -0.955 -0.214 -6.177
197 HD2 TYR 28 HD1 TYR 28 -4.821 -0.093 -4.318
198 HE1 TYR 28 HE2 TYR 28 -2.018 0.046 -8.405
199 HE2 TYR 28 HE1 TYR 28 -5.885 0.168 -6.539
200 HH TYR 28 HH TYR 28 -4.144 -0.293 -9.474
201 H CYS 29 H CYS 29 -0.218 -0.196 -1.678
202 HA CYS 29 HA CYS 29 -1.712 0.609 0.772
203 HB2 CYS 29 HB3 CYS 29 0.331 -1.593 0.607
204 HB3 CYS 29 HB2 CYS 29 -0.970 -1.385 1.775
205 H LYS 30 H LYS 30 -0.757 2.331 1.749
206 HA LYS 30 HA LYS 30 2.151 2.754 1.468
207 HB2 LYS 30 HB3 LYS 30 0.404 4.466 3.191
208 HB3 LYS 30 HB2 LYS 30 1.771 4.932 2.180
209 HG2 LYS 30 HG3 LYS 30 -0.960 4.062 1.193
210 HG3 LYS 30 HG2 LYS 30 -0.339 5.710 1.180
211 HD2 LYS 30 HD3 LYS 30 1.097 3.456 -0.235
212 HD3 LYS 30 HD2 LYS 30 -0.170 4.393 -1.020
213 HE2 LYS 30 HE3 LYS 30 2.429 5.448 0.115
214 HE3 LYS 30 HE2 LYS 30 1.948 5.414 -1.578
215 HZ1 LYS 30 HZ1 LYS 30 0.978 7.134 0.594
216 HZ2 LYS 30 HZ2 LYS 30 -0.056 6.777 -0.708
217 HZ3 LYS 30 HZ3 LYS 30 1.432 7.548 -0.986
218 H LYS 31 H LYS 31 -0.165 2.520 4.183
219 HA LYS 31 HA LYS 31 1.810 2.320 6.235
220 HB2 LYS 31 HB3 LYS 31 -1.031 1.313 6.025
221 HB3 LYS 31 HB2 LYS 31 -0.083 1.198 7.505
222 HG2 LYS 31 HG3 LYS 31 -0.123 3.461 7.876
223 HG3 LYS 31 HG2 LYS 31 -0.151 3.846 6.155
224 HD2 LYS 31 HD3 LYS 31 -2.313 4.429 6.837
225 HD3 LYS 31 HD2 LYS 31 -2.544 2.796 6.219
226 HE2 LYS 31 HE3 LYS 31 -1.880 2.244 8.792
227 HE3 LYS 31 HE2 LYS 31 -2.679 3.801 9.002
228 HZ1 LYS 31 HZ1 LYS 31 -4.441 2.737 7.441
229 HZ2 LYS 31 HZ2 LYS 31 -4.440 2.369 9.100
230 HZ3 LYS 31 HZ3 LYS 31 -3.774 1.275 7.984
231 H ALA 32 H ALA 32 -0.010 -0.157 4.483
232 HA ALA 32 HA ALA 32 1.115 -2.430 5.710
233 HB1 ALA 32 HB1 ALA 32 -0.724 -2.022 3.753
234 HB2 ALA 32 HB2 ALA 32 -0.017 -3.594 4.109
235 HB3 ALA 32 HB3 ALA 32 0.633 -2.615 2.792
236 H CYS 33 H CYS 33 2.500 -0.144 3.522
237 HA CYS 33 HA CYS 33 4.835 -1.944 3.066
238 HB2 CYS 33 HB3 CYS 33 3.437 -0.038 1.415
239 HB3 CYS 33 HB2 CYS 33 5.115 0.447 1.594
240 H GLY 34 H GLY 34 6.961 -0.515 2.960
241 HA2 GLY 34 HA3 GLY 34 7.334 0.573 5.596
242 HA3 GLY 34 HA2 GLY 34 8.522 0.636 4.294
243 H LEU 35 H LEU 35 5.586 1.893 3.258
244 HA LEU 35 HA LEU 35 6.683 4.587 3.176
245 HB2 LEU 35 HB3 LEU 35 3.841 3.715 2.578
246 HB3 LEU 35 HB2 LEU 35 4.641 5.183 2.016
247 HG LEU 35 HG LEU 35 5.208 2.333 1.207
248 HD11 LEU 35 HD11 LEU 35 4.946 3.314 -1.065
249 HD12 LEU 35 HD12 LEU 35 4.547 4.859 -0.319
250 HD13 LEU 35 HD13 LEU 35 3.491 3.468 -0.084
251 HD21 LEU 35 HD21 LEU 35 7.065 3.453 -0.186
252 HD22 LEU 35 HD22 LEU 35 7.392 3.179 1.526
253 HD23 LEU 35 HD23 LEU 35 6.940 4.787 0.956
254 H CYS 36 H CYS 36 4.411 2.808 5.198
255 HA CYS 36 HA CYS 36 4.481 5.039 7.135
256 HB2 CYS 36 HB3 CYS 36 2.204 4.488 5.403
257 HB3 CYS 36 HB2 CYS 36 1.777 4.389 7.109
Start of MODEL 8
1 HA VAL 1 HA VAL 1 -1.442 12.145 3.509
2 HB VAL 1 HB VAL 1 -1.412 11.068 5.731
3 HG11 VAL 1 HG11 VAL 1 -1.928 13.359 5.856
4 HG12 VAL 1 HG12 VAL 1 -3.241 12.608 6.760
5 HG13 VAL 1 HG13 VAL 1 -3.505 13.140 5.101
6 HG21 VAL 1 HG21 VAL 1 -3.857 9.909 4.722
7 HG22 VAL 1 HG22 VAL 1 -4.185 10.750 6.235
8 HG23 VAL 1 HG23 VAL 1 -2.959 9.485 6.177
9 H CYS 2 H CYS 2 -1.568 9.307 5.076
10 HA CYS 2 HA CYS 2 -1.002 7.709 2.605
11 HB2 CYS 2 HB3 CYS 2 0.756 6.565 3.863
12 HB3 CYS 2 HB2 CYS 2 1.040 8.303 3.937
13 H GLU 3 H GLU 3 -2.295 5.906 2.437
14 HA GLU 3 HA GLU 3 -3.069 4.381 4.792
15 HB2 GLU 3 HB3 GLU 3 -5.385 4.805 4.843
16 HB3 GLU 3 HB2 GLU 3 -4.685 6.408 4.634
17 HG2 GLU 3 HG3 GLU 3 -5.002 6.160 2.157
18 HG3 GLU 3 HG2 GLU 3 -5.847 4.644 2.460
19 H ASP 4 H ASP 4 -4.257 2.402 4.188
20 HA ASP 4 HA ASP 4 -3.273 1.273 1.758
21 HB2 ASP 4 HB3 ASP 4 -4.783 -0.633 2.300
22 HB3 ASP 4 HB2 ASP 4 -3.776 -0.145 3.664
23 H LEU 5 H LEU 5 -4.031 1.496 -0.268
24 HA LEU 5 HA LEU 5 -6.560 2.865 -0.767
25 HB2 LEU 5 HB3 LEU 5 -4.571 1.544 -2.639
26 HB3 LEU 5 HB2 LEU 5 -5.972 2.472 -3.173
27 HG LEU 5 HG LEU 5 -3.696 3.520 -1.458
28 HD11 LEU 5 HD11 LEU 5 -3.973 3.237 -4.279
29 HD12 LEU 5 HD12 LEU 5 -2.698 4.081 -3.395
30 HD13 LEU 5 HD13 LEU 5 -4.143 4.949 -3.905
31 HD21 LEU 5 HD21 LEU 5 -5.450 4.847 -0.756
32 HD22 LEU 5 HD22 LEU 5 -6.374 4.590 -2.234
33 HD23 LEU 5 HD23 LEU 5 -5.019 5.719 -2.229
34 H ASN 6 H ASN 6 -5.325 -0.438 -1.054
35 HA ASN 6 HA ASN 6 -8.045 -1.349 -1.859
36 HB2 ASN 6 HB3 ASN 6 -5.277 -2.387 -2.205
37 HB3 ASN 6 HB2 ASN 6 -6.549 -3.592 -1.988
38 HD21 ASN 6 HD21 ASN 6 -4.910 -2.124 -4.406
39 HD22 ASN 6 HD22 ASN 6 -6.119 -2.039 -5.594
40 H ALA 7 H ALA 7 -9.252 -2.642 -0.485
41 HA ALA 7 HA ALA 7 -8.596 -2.685 2.309
42 HB1 ALA 7 HB1 ALA 7 -10.916 -2.886 1.136
43 HB2 ALA 7 HB2 ALA 7 -10.641 -3.812 2.611
44 HB3 ALA 7 HB3 ALA 7 -10.543 -4.606 1.041
45 H HIS 8 H HIS 8 -7.855 -4.820 -0.326
46 HA HIS 8 HA HIS 8 -7.194 -7.100 1.397
47 HB2 HIS 8 HB3 HIS 8 -6.720 -6.551 -1.548
48 HB3 HIS 8 HB2 HIS 8 -6.311 -8.069 -0.748
49 HD2 HIS 8 HD2 HIS 8 -9.313 -7.724 1.086
50 HE1 HIS 8 HE1 HIS 8 -10.880 -8.709 -2.710
51 HE2 HIS 8 HE2 HIS 8 -11.401 -8.563 -0.233
52 H CYS 9 H CYS 9 -5.773 -4.224 1.181
53 HA CYS 9 HA CYS 9 -3.086 -4.593 0.458
54 HB2 CYS 9 HB3 CYS 9 -4.481 -2.860 2.458
55 HB3 CYS 9 HB2 CYS 9 -2.722 -2.951 2.522
56 H GLU 10 H GLU 10 -4.648 -5.316 3.589
57 HA GLU 10 HA GLU 10 -2.276 -6.262 4.887
58 HB2 GLU 10 HB3 GLU 10 -4.482 -5.726 6.008
59 HB3 GLU 10 HB2 GLU 10 -5.108 -7.239 5.353
60 HG2 GLU 10 HG3 GLU 10 -3.279 -8.467 6.503
61 HG3 GLU 10 HG2 GLU 10 -2.733 -6.946 7.212
62 H MET 11 H MET 11 -4.713 -7.839 2.872
63 HA MET 11 HA MET 11 -3.815 -10.524 3.173
64 HB2 MET 11 HB3 MET 11 -5.148 -9.145 0.828
65 HB3 MET 11 HB2 MET 11 -4.972 -10.893 0.989
66 HG2 MET 11 HG3 MET 11 -6.190 -10.751 3.181
67 HG3 MET 11 HG2 MET 11 -6.490 -9.043 2.847
68 HE1 MET 11 HE1 MET 11 -8.184 -12.770 0.901
69 HE2 MET 11 HE2 MET 11 -6.791 -12.581 1.965
70 HE3 MET 11 HE3 MET 11 -6.627 -12.243 0.243
71 H TRP 12 H TRP 12 -2.714 -7.894 1.098
72 HA TRP 12 HA TRP 12 -0.894 -9.670 -0.374
73 HB2 TRP 12 HB3 TRP 12 -1.086 -6.653 -0.437
74 HB3 TRP 12 HB2 TRP 12 -0.299 -7.681 -1.627
75 HD1 TRP 12 HD1 TRP 12 -2.844 -9.866 -1.357
76 HE1 TRP 12 HE1 TRP 12 -4.939 -9.320 -2.755
77 HE3 TRP 12 HE3 TRP 12 -2.076 -4.889 -2.198
78 HZ2 TRP 12 HZ2 TRP 12 -6.134 -7.070 -4.057
79 HZ3 TRP 12 HZ3 TRP 12 -3.708 -3.567 -3.515
80 HH2 TRP 12 HH2 TRP 12 -5.736 -4.654 -4.444
81 H GLN 13 H GLN 13 -0.588 -7.074 2.064
82 HA GLN 13 HA GLN 13 2.300 -7.146 2.076
83 HB2 GLN 13 HB3 GLN 13 2.182 -5.625 3.839
84 HB3 GLN 13 HB2 GLN 13 0.650 -5.341 3.009
85 HG2 GLN 13 HG3 GLN 13 -0.057 -5.560 5.226
86 HG3 GLN 13 HG2 GLN 13 -0.248 -7.208 4.631
87 HE21 GLN 13 HE21 GLN 13 0.177 -8.242 6.676
88 HE22 GLN 13 HE22 GLN 13 1.706 -8.191 7.417
89 H GLN 14 H GLN 14 -0.203 -8.895 3.848
90 HA GLN 14 HA GLN 14 1.535 -10.054 5.807
91 HB2 GLN 14 HB3 GLN 14 -0.256 -11.514 6.324
92 HB3 GLN 14 HB2 GLN 14 -1.045 -10.040 5.763
93 HG2 GLN 14 HG3 GLN 14 -1.115 -11.094 3.453
94 HG3 GLN 14 HG2 GLN 14 -0.611 -12.603 4.218
95 HE21 GLN 14 HE21 GLN 14 -2.846 -10.096 5.487
96 HE22 GLN 14 HE22 GLN 14 -4.185 -11.132 5.624
97 H LEU 15 H LEU 15 0.827 -10.805 2.473
98 HA LEU 15 HA LEU 15 2.245 -13.381 2.610
99 HB2 LEU 15 HB3 LEU 15 1.080 -11.830 0.283
100 HB3 LEU 15 HB2 LEU 15 1.789 -13.442 0.159
101 HG LEU 15 HG LEU 15 -0.586 -12.687 1.889
102 HD11 LEU 15 HD11 LEU 15 -1.876 -13.166 0.107
103 HD12 LEU 15 HD12 LEU 15 -1.049 -14.709 -0.121
104 HD13 LEU 15 HD13 LEU 15 -0.416 -13.247 -0.878
105 HD21 LEU 15 HD21 LEU 15 1.145 -15.100 1.633
106 HD22 LEU 15 HD22 LEU 15 -0.590 -15.385 1.765
107 HD23 LEU 15 HD23 LEU 15 0.257 -14.498 3.034
108 H GLY 16 H GLY 16 3.087 -10.150 2.397
109 HA2 GLY 16 HA3 GLY 16 5.378 -9.420 2.340
110 HA3 GLY 16 HA2 GLY 16 5.806 -10.902 1.494
111 H HIS 17 H HIS 17 3.018 -9.363 0.208
112 HA HIS 17 HA HIS 17 4.095 -8.999 -2.360
113 HB2 HIS 17 HB3 HIS 17 1.845 -7.599 -0.921
114 HB3 HIS 17 HB2 HIS 17 2.263 -7.189 -2.584
115 HD2 HIS 17 HD2 HIS 17 2.282 -10.924 -1.267
116 HE1 HIS 17 HE1 HIS 17 -0.723 -10.540 -4.212
117 HE2 HIS 17 HE2 HIS 17 0.514 -12.178 -2.723
118 H CYS 18 H CYS 18 4.350 -6.946 0.475
119 HA CYS 18 HA CYS 18 5.433 -4.653 -0.970
120 HB2 CYS 18 HB3 CYS 18 5.088 -5.438 1.901
121 HB3 CYS 18 HB2 CYS 18 6.298 -4.211 1.524
122 H GLN 19 H GLN 19 6.684 -7.405 0.841
123 HA GLN 19 HA GLN 19 9.464 -6.638 0.581
124 HB2 GLN 19 HB3 GLN 19 8.516 -8.209 2.332
125 HB3 GLN 19 HB2 GLN 19 8.342 -9.413 1.052
126 HG2 GLN 19 HG3 GLN 19 10.752 -9.294 0.590
127 HG3 GLN 19 HG2 GLN 19 10.942 -8.071 1.849
128 HE21 GLN 19 HE21 GLN 19 8.591 -9.955 3.109
129 HE22 GLN 19 HE22 GLN 19 9.521 -11.095 3.948
130 H TYR 20 H TYR 20 7.183 -8.533 -1.302
131 HA TYR 20 HA TYR 20 9.339 -9.346 -3.172
132 HB2 TYR 20 HB3 TYR 20 6.426 -10.142 -2.954
133 HB3 TYR 20 HB2 TYR 20 7.520 -10.742 -4.202
134 HD1 TYR 20 HD1 TYR 20 9.756 -11.801 -3.374
135 HD2 TYR 20 HD2 TYR 20 6.299 -11.239 -0.884
136 HE1 TYR 20 HE1 TYR 20 10.611 -13.516 -1.799
137 HE2 TYR 20 HE2 TYR 20 7.157 -12.955 0.690
138 HH TYR 20 HH TYR 20 8.829 -14.319 1.184
139 H SER 21 H SER 21 6.203 -7.605 -3.234
140 HA SER 21 HA SER 21 7.137 -6.342 -5.777
141 HB2 SER 21 HB3 SER 21 5.243 -8.165 -5.892
142 HB3 SER 21 HB2 SER 21 4.221 -6.866 -5.290
143 HG SER 21 HG SER 21 5.707 -5.841 -7.202
144 HA PRO 22 HA PRO 22 5.856 -3.147 -2.610
145 HB2 PRO 22 HB3 PRO 22 8.148 -1.670 -2.743
146 HB3 PRO 22 HB2 PRO 22 7.949 -3.046 -1.642
147 HG2 PRO 22 HG3 PRO 22 9.365 -2.899 -4.253
148 HG3 PRO 22 HG2 PRO 22 9.809 -3.767 -2.775
149 HD2 PRO 22 HD3 PRO 22 8.665 -4.985 -4.954
150 HD3 PRO 22 HD2 PRO 22 8.493 -5.590 -3.291
151 H LYS 23 H LYS 23 7.112 -3.108 -5.832
152 HA LYS 23 HA LYS 23 6.871 -0.371 -6.506
153 HB2 LYS 23 HB3 LYS 23 6.422 -2.835 -8.215
154 HB3 LYS 23 HB2 LYS 23 6.620 -1.198 -8.845
155 HG2 LYS 23 HG3 LYS 23 8.842 -1.065 -7.727
156 HG3 LYS 23 HG2 LYS 23 8.648 -2.739 -7.198
157 HD2 LYS 23 HD3 LYS 23 8.433 -3.432 -9.586
158 HD3 LYS 23 HD2 LYS 23 8.744 -1.762 -10.069
159 HE2 LYS 23 HE3 LYS 23 10.807 -3.146 -10.142
160 HE3 LYS 23 HE2 LYS 23 10.938 -1.828 -8.978
161 HZ1 LYS 23 HZ1 LYS 23 10.251 -3.422 -7.239
162 HZ2 LYS 23 HZ2 LYS 23 11.732 -3.826 -7.969
163 HZ3 LYS 23 HZ3 LYS 23 10.317 -4.669 -8.387
164 H TYR 24 H TYR 24 4.392 -2.880 -6.225
165 HA TYR 24 HA TYR 24 2.380 -0.910 -7.207
166 HB2 TYR 24 HB3 TYR 24 2.018 -3.867 -6.671
167 HB3 TYR 24 HB2 TYR 24 0.905 -2.801 -7.527
168 HD1 TYR 24 HD1 TYR 24 4.162 -4.533 -7.686
169 HD2 TYR 24 HD2 TYR 24 1.351 -2.080 -9.813
170 HE1 TYR 24 HE1 TYR 24 5.360 -5.002 -9.810
171 HE2 TYR 24 HE2 TYR 24 2.545 -2.547 -11.933
172 HH TYR 24 HH TYR 24 5.609 -3.813 -12.083
173 H MET 25 H MET 25 3.529 -2.456 -4.330
174 HA MET 25 HA MET 25 1.041 -2.108 -2.829
175 HB2 MET 25 HB3 MET 25 3.890 -2.657 -1.961
176 HB3 MET 25 HB2 MET 25 2.529 -2.571 -0.850
177 HG2 MET 25 HG3 MET 25 2.690 -4.456 -3.218
178 HG3 MET 25 HG2 MET 25 3.060 -4.915 -1.555
179 HE1 MET 25 HE1 MET 25 -0.171 -4.844 0.339
180 HE2 MET 25 HE2 MET 25 1.133 -3.666 0.331
181 HE3 MET 25 HE3 MET 25 1.509 -5.385 0.232
182 H GLY 26 H GLY 26 4.118 -0.368 -3.158
183 HA2 GLY 26 HA3 GLY 26 3.572 1.659 -1.225
184 HA3 GLY 26 HA2 GLY 26 4.683 1.837 -2.584
185 H HIS 27 H HIS 27 2.490 1.156 -4.489
186 HA HIS 27 HA HIS 27 1.428 3.888 -4.733
187 HB2 HIS 27 HB3 HIS 27 2.387 2.646 -6.689
188 HB3 HIS 27 HB2 HIS 27 1.037 1.515 -6.575
189 HD2 HIS 27 HD2 HIS 27 -1.415 2.500 -7.551
190 HE1 HIS 27 HE1 HIS 27 -0.043 6.366 -8.540
191 HE2 HIS 27 HE2 HIS 27 -2.003 4.764 -8.700
192 H TYR 28 H TYR 28 0.428 0.942 -3.396
193 HA TYR 28 HA TYR 28 -2.414 1.859 -3.488
194 HB2 TYR 28 HB3 TYR 28 -1.222 -0.854 -3.889
195 HB3 TYR 28 HB2 TYR 28 -2.796 -0.737 -3.098
196 HD1 TYR 28 HD2 TYR 28 -0.903 0.016 -6.182
197 HD2 TYR 28 HD1 TYR 28 -4.761 0.004 -4.301
198 HE1 TYR 28 HE2 TYR 28 -1.974 0.409 -8.382
199 HE2 TYR 28 HE1 TYR 28 -5.835 0.401 -6.500
200 HH TYR 28 HH TYR 28 -5.010 -0.153 -9.077
201 H CYS 29 H CYS 29 -0.119 -0.173 -1.635
202 HA CYS 29 HA CYS 29 -1.654 0.570 0.805
203 HB2 CYS 29 HB3 CYS 29 0.480 -1.551 0.623
204 HB3 CYS 29 HB2 CYS 29 -0.812 -1.395 1.814
205 H LYS 30 H LYS 30 -0.790 2.323 1.801
206 HA LYS 30 HA LYS 30 2.085 2.898 1.525
207 HB2 LYS 30 HB3 LYS 30 0.288 4.494 3.302
208 HB3 LYS 30 HB2 LYS 30 1.578 5.047 2.237
209 HG2 LYS 30 HG3 LYS 30 -1.162 4.062 1.387
210 HG3 LYS 30 HG2 LYS 30 -0.580 5.721 1.309
211 HD2 LYS 30 HD3 LYS 30 0.836 3.484 -0.152
212 HD3 LYS 30 HD2 LYS 30 -0.515 4.350 -0.870
213 HE2 LYS 30 HE3 LYS 30 2.084 5.566 0.102
214 HE3 LYS 30 HE2 LYS 30 1.548 5.420 -1.571
215 HZ1 LYS 30 HZ1 LYS 30 -0.424 6.777 -0.914
216 HZ2 LYS 30 HZ2 LYS 30 1.061 7.606 -0.880
217 HZ3 LYS 30 HZ3 LYS 30 0.345 7.077 0.569
218 H LYS 31 H LYS 31 -0.218 2.471 4.213
219 HA LYS 31 HA LYS 31 1.743 2.328 6.296
220 HB2 LYS 31 HB3 LYS 31 -1.063 1.229 6.044
221 HB3 LYS 31 HB2 LYS 31 -0.126 1.125 7.530
222 HG2 LYS 31 HG3 LYS 31 -0.159 3.421 7.878
223 HG3 LYS 31 HG2 LYS 31 -0.399 3.782 6.171
224 HD2 LYS 31 HD3 LYS 31 -2.545 4.158 6.856
225 HD3 LYS 31 HD2 LYS 31 -2.683 2.413 6.678
226 HE2 LYS 31 HE3 LYS 31 -2.220 4.003 9.199
227 HE3 LYS 31 HE2 LYS 31 -3.529 2.875 8.846
228 HZ1 LYS 31 HZ1 LYS 31 -0.729 2.316 9.535
229 HZ2 LYS 31 HZ2 LYS 31 -1.579 1.204 8.573
230 HZ3 LYS 31 HZ3 LYS 31 -2.146 1.595 10.125
231 H ALA 32 H ALA 32 0.006 -0.198 4.504
232 HA ALA 32 HA ALA 32 1.185 -2.439 5.757
233 HB1 ALA 32 HB1 ALA 32 -0.677 -2.099 3.809
234 HB2 ALA 32 HB2 ALA 32 0.065 -3.647 4.194
235 HB3 ALA 32 HB3 ALA 32 0.685 -2.686 2.853
236 H CYS 33 H CYS 33 2.497 -0.205 3.451
237 HA CYS 33 HA CYS 33 4.864 -1.982 3.074
238 HB2 CYS 33 HB3 CYS 33 3.423 -0.258 1.301
239 HB3 CYS 33 HB2 CYS 33 5.044 0.389 1.500
240 H GLY 34 H GLY 34 6.866 -0.229 2.671
241 HA2 GLY 34 HA3 GLY 34 7.269 0.872 5.341
242 HA3 GLY 34 HA2 GLY 34 8.436 0.912 4.021
243 H LEU 35 H LEU 35 5.148 2.160 3.589
244 HA LEU 35 HA LEU 35 6.385 4.836 3.165
245 HB2 LEU 35 HB3 LEU 35 3.551 3.970 2.579
246 HB3 LEU 35 HB2 LEU 35 4.375 5.399 1.963
247 HG LEU 35 HG LEU 35 4.881 2.509 1.266
248 HD11 LEU 35 HD11 LEU 35 3.253 3.553 -0.140
249 HD12 LEU 35 HD12 LEU 35 4.760 3.541 -1.057
250 HD13 LEU 35 HD13 LEU 35 4.217 5.023 -0.271
251 HD21 LEU 35 HD21 LEU 35 6.809 3.514 -0.115
252 HD22 LEU 35 HD22 LEU 35 7.084 3.319 1.614
253 HD23 LEU 35 HD23 LEU 35 6.689 4.904 0.955
254 H CYS 36 H CYS 36 4.253 3.114 5.299
255 HA CYS 36 HA CYS 36 4.210 5.413 7.116
256 HB2 CYS 36 HB3 CYS 36 1.997 4.900 5.334
257 HB3 CYS 36 HB2 CYS 36 1.494 4.652 7.007
Start of MODEL 9
1 HA VAL 1 HA VAL 1 -0.943 11.275 5.245
2 HB VAL 1 HB VAL 1 -3.280 12.062 5.616
3 HG11 VAL 1 HG11 VAL 1 -4.489 9.645 4.472
4 HG12 VAL 1 HG12 VAL 1 -3.802 10.719 3.253
5 HG13 VAL 1 HG13 VAL 1 -5.023 11.323 4.371
6 HG21 VAL 1 HG21 VAL 1 -3.830 10.331 7.113
7 HG22 VAL 1 HG22 VAL 1 -2.087 10.143 6.907
8 HG23 VAL 1 HG23 VAL 1 -3.196 9.080 6.040
9 H CYS 2 H CYS 2 -0.809 8.950 5.638
10 HA CYS 2 HA CYS 2 -0.715 7.418 3.083
11 HB2 CYS 2 HB3 CYS 2 0.477 5.955 5.190
12 HB3 CYS 2 HB2 CYS 2 1.295 6.761 3.850
13 H GLU 3 H GLU 3 -2.042 5.677 2.808
14 HA GLU 3 HA GLU 3 -3.138 4.198 5.056
15 HB2 GLU 3 HB3 GLU 3 -5.438 4.779 4.852
16 HB3 GLU 3 HB2 GLU 3 -4.578 6.319 4.882
17 HG2 GLU 3 HG3 GLU 3 -4.598 6.313 2.373
18 HG3 GLU 3 HG2 GLU 3 -5.608 4.867 2.427
19 H ASP 4 H ASP 4 -4.427 2.355 4.309
20 HA ASP 4 HA ASP 4 -3.348 1.264 1.869
21 HB2 ASP 4 HB3 ASP 4 -4.790 -0.675 2.360
22 HB3 ASP 4 HB2 ASP 4 -3.891 -0.166 3.786
23 H LEU 5 H LEU 5 -4.187 1.303 -0.155
24 HA LEU 5 HA LEU 5 -6.740 2.760 -0.561
25 HB2 LEU 5 HB3 LEU 5 -4.608 1.815 -2.508
26 HB3 LEU 5 HB2 LEU 5 -6.026 2.772 -2.948
27 HG LEU 5 HG LEU 5 -3.944 3.647 -0.920
28 HD11 LEU 5 HD11 LEU 5 -2.668 4.119 -2.737
29 HD12 LEU 5 HD12 LEU 5 -3.853 5.371 -3.099
30 HD13 LEU 5 HD13 LEU 5 -3.993 3.782 -3.849
31 HD21 LEU 5 HD21 LEU 5 -5.803 4.899 -0.375
32 HD22 LEU 5 HD22 LEU 5 -6.504 4.749 -1.986
33 HD23 LEU 5 HD23 LEU 5 -5.191 5.890 -1.702
34 H ASN 6 H ASN 6 -5.312 -0.418 -0.853
35 HA ASN 6 HA ASN 6 -7.774 -1.448 -2.186
36 HB2 ASN 6 HB3 ASN 6 -5.397 -1.975 -3.064
37 HB3 ASN 6 HB2 ASN 6 -5.254 -3.032 -1.658
38 HD21 ASN 6 HD21 ASN 6 -7.326 -2.430 -4.524
39 HD22 ASN 6 HD22 ASN 6 -7.883 -4.027 -4.651
40 H ALA 7 H ALA 7 -9.116 -2.868 -1.097
41 HA ALA 7 HA ALA 7 -8.976 -2.996 1.770
42 HB1 ALA 7 HB1 ALA 7 -10.759 -4.847 1.391
43 HB2 ALA 7 HB2 ALA 7 -10.624 -4.427 -0.316
44 HB3 ALA 7 HB3 ALA 7 -11.146 -3.213 0.852
45 H HIS 8 H HIS 8 -7.592 -4.917 -0.753
46 HA HIS 8 HA HIS 8 -7.065 -7.191 1.061
47 HB2 HIS 8 HB3 HIS 8 -6.320 -6.743 -1.843
48 HB3 HIS 8 HB2 HIS 8 -6.049 -8.233 -0.946
49 HD2 HIS 8 HD2 HIS 8 -9.253 -7.646 0.498
50 HE1 HIS 8 HE1 HIS 8 -10.375 -8.874 -3.384
51 HE2 HIS 8 HE2 HIS 8 -11.194 -8.521 -1.008
52 H CYS 9 H CYS 9 -5.744 -4.273 0.916
53 HA CYS 9 HA CYS 9 -3.009 -4.533 0.363
54 HB2 CYS 9 HB3 CYS 9 -4.558 -2.918 2.360
55 HB3 CYS 9 HB2 CYS 9 -2.796 -2.910 2.426
56 H GLU 10 H GLU 10 -4.677 -5.250 3.453
57 HA GLU 10 HA GLU 10 -2.359 -6.200 4.823
58 HB2 GLU 10 HB3 GLU 10 -4.602 -5.686 5.890
59 HB3 GLU 10 HB2 GLU 10 -5.189 -7.210 5.221
60 HG2 GLU 10 HG3 GLU 10 -3.381 -8.415 6.407
61 HG3 GLU 10 HG2 GLU 10 -2.844 -6.893 7.113
62 H MET 11 H MET 11 -4.759 -7.846 2.794
63 HA MET 11 HA MET 11 -3.811 -10.504 3.157
64 HB2 MET 11 HB3 MET 11 -5.131 -9.224 0.749
65 HB3 MET 11 HB2 MET 11 -4.900 -10.956 0.946
66 HG2 MET 11 HG3 MET 11 -6.193 -10.796 3.111
67 HG3 MET 11 HG2 MET 11 -6.554 -9.119 2.697
68 HE1 MET 11 HE1 MET 11 -6.742 -12.709 2.011
69 HE2 MET 11 HE2 MET 11 -6.471 -12.458 0.287
70 HE3 MET 11 HE3 MET 11 -8.053 -12.988 0.857
71 H TRP 12 H TRP 12 -2.711 -7.900 1.031
72 HA TRP 12 HA TRP 12 -0.842 -9.698 -0.347
73 HB2 TRP 12 HB3 TRP 12 -1.048 -6.683 -0.487
74 HB3 TRP 12 HB2 TRP 12 -0.192 -7.724 -1.610
75 HD1 TRP 12 HD1 TRP 12 -2.764 -9.910 -1.426
76 HE1 TRP 12 HE1 TRP 12 -4.765 -9.392 -2.970
77 HE3 TRP 12 HE3 TRP 12 -1.910 -4.959 -2.347
78 HZ2 TRP 12 HZ2 TRP 12 -5.859 -7.159 -4.412
79 HZ3 TRP 12 HZ3 TRP 12 -3.442 -3.664 -3.801
80 HH2 TRP 12 HH2 TRP 12 -5.409 -4.755 -4.834
81 H GLN 13 H GLN 13 -0.622 -6.997 1.986
82 HA GLN 13 HA GLN 13 2.248 -7.023 2.116
83 HB2 GLN 13 HB3 GLN 13 2.030 -5.471 3.859
84 HB3 GLN 13 HB2 GLN 13 0.523 -5.241 2.965
85 HG2 GLN 13 HG3 GLN 13 -0.257 -5.446 5.158
86 HG3 GLN 13 HG2 GLN 13 -0.397 -7.096 4.567
87 HE21 GLN 13 HE21 GLN 13 -0.034 -8.167 6.560
88 HE22 GLN 13 HE22 GLN 13 1.424 -8.065 7.422
89 H GLN 14 H GLN 14 -0.273 -8.784 3.839
90 HA GLN 14 HA GLN 14 1.450 -9.881 5.849
91 HB2 GLN 14 HB3 GLN 14 -0.349 -11.296 6.407
92 HB3 GLN 14 HB2 GLN 14 -1.135 -9.866 5.747
93 HG2 GLN 14 HG3 GLN 14 -1.185 -11.039 3.508
94 HG3 GLN 14 HG2 GLN 14 -0.650 -12.499 4.337
95 HE21 GLN 14 HE21 GLN 14 -2.898 -10.016 5.597
96 HE22 GLN 14 HE22 GLN 14 -4.230 -11.058 5.733
97 H LEU 15 H LEU 15 0.771 -10.696 2.531
98 HA LEU 15 HA LEU 15 2.188 -13.270 2.673
99 HB2 LEU 15 HB3 LEU 15 1.078 -11.677 0.350
100 HB3 LEU 15 HB2 LEU 15 1.797 -13.278 0.197
101 HG LEU 15 HG LEU 15 -0.609 -12.588 1.908
102 HD11 LEU 15 HD11 LEU 15 -1.111 -12.502 -0.497
103 HD12 LEU 15 HD12 LEU 15 -1.853 -13.923 0.232
104 HD13 LEU 15 HD13 LEU 15 -0.377 -14.088 -0.718
105 HD21 LEU 15 HD21 LEU 15 0.297 -14.439 2.972
106 HD22 LEU 15 HD22 LEU 15 1.060 -15.040 1.501
107 HD23 LEU 15 HD23 LEU 15 -0.677 -15.240 1.740
108 H GLY 16 H GLY 16 3.079 -10.048 2.537
109 HA2 GLY 16 HA3 GLY 16 5.369 -9.329 2.503
110 HA3 GLY 16 HA2 GLY 16 5.798 -10.830 1.689
111 H HIS 17 H HIS 17 3.061 -9.374 0.264
112 HA HIS 17 HA HIS 17 4.225 -9.030 -2.264
113 HB2 HIS 17 HB3 HIS 17 1.901 -7.628 -0.940
114 HB3 HIS 17 HB2 HIS 17 2.363 -7.278 -2.604
115 HD2 HIS 17 HD2 HIS 17 2.388 -10.939 -1.121
116 HE1 HIS 17 HE1 HIS 17 -0.504 -10.748 -4.189
117 HE2 HIS 17 HE2 HIS 17 0.703 -12.291 -2.581
118 H CYS 18 H CYS 18 4.391 -6.951 0.546
119 HA CYS 18 HA CYS 18 5.425 -4.658 -0.936
120 HB2 CYS 18 HB3 CYS 18 4.957 -5.355 1.930
121 HB3 CYS 18 HB2 CYS 18 6.190 -4.136 1.595
122 H GLN 19 H GLN 19 6.723 -7.304 0.994
123 HA GLN 19 HA GLN 19 9.478 -6.454 0.774
124 HB2 GLN 19 HB3 GLN 19 8.555 -8.041 2.517
125 HB3 GLN 19 HB2 GLN 19 8.425 -9.252 1.242
126 HG2 GLN 19 HG3 GLN 19 10.865 -8.993 0.788
127 HG3 GLN 19 HG2 GLN 19 10.967 -7.882 2.160
128 HE21 GLN 19 HE21 GLN 19 12.493 -10.208 2.325
129 HE22 GLN 19 HE22 GLN 19 11.807 -11.270 3.456
130 H TYR 20 H TYR 20 7.271 -8.381 -1.129
131 HA TYR 20 HA TYR 20 9.462 -9.188 -2.965
132 HB2 TYR 20 HB3 TYR 20 6.550 -10.018 -2.898
133 HB3 TYR 20 HB2 TYR 20 7.791 -10.702 -3.945
134 HD1 TYR 20 HD1 TYR 20 10.045 -11.375 -2.542
135 HD2 TYR 20 HD2 TYR 20 6.040 -11.236 -0.996
136 HE1 TYR 20 HE1 TYR 20 10.685 -12.951 -0.734
137 HE2 TYR 20 HE2 TYR 20 6.679 -12.806 0.809
138 HH TYR 20 HH TYR 20 9.040 -14.751 0.798
139 H SER 21 H SER 21 6.196 -7.699 -3.149
140 HA SER 21 HA SER 21 7.144 -6.354 -5.650
141 HB2 SER 21 HB3 SER 21 5.300 -8.247 -5.742
142 HB3 SER 21 HB2 SER 21 4.243 -6.939 -5.224
143 HG SER 21 HG SER 21 4.409 -7.065 -7.507
144 HA PRO 22 HA PRO 22 5.675 -3.185 -2.561
145 HB2 PRO 22 HB3 PRO 22 7.921 -1.616 -2.688
146 HB3 PRO 22 HB2 PRO 22 7.727 -2.952 -1.542
147 HG2 PRO 22 HG3 PRO 22 9.271 -2.838 -4.069
148 HG3 PRO 22 HG2 PRO 22 9.620 -3.702 -2.563
149 HD2 PRO 22 HD3 PRO 22 8.596 -4.903 -4.838
150 HD3 PRO 22 HD2 PRO 22 8.416 -5.551 -3.195
151 H LYS 23 H LYS 23 6.911 -3.176 -5.783
152 HA LYS 23 HA LYS 23 6.583 -0.449 -6.484
153 HB2 LYS 23 HB3 LYS 23 6.254 -2.942 -8.172
154 HB3 LYS 23 HB2 LYS 23 6.343 -1.305 -8.817
155 HG2 LYS 23 HG3 LYS 23 8.555 -1.026 -7.681
156 HG3 LYS 23 HG2 LYS 23 8.479 -2.720 -7.196
157 HD2 LYS 23 HD3 LYS 23 8.300 -3.353 -9.611
158 HD3 LYS 23 HD2 LYS 23 8.528 -1.658 -10.036
159 HE2 LYS 23 HE3 LYS 23 10.479 -3.382 -8.486
160 HE3 LYS 23 HE2 LYS 23 10.672 -2.841 -10.155
161 HZ1 LYS 23 HZ1 LYS 23 11.879 -1.299 -8.960
162 HZ2 LYS 23 HZ2 LYS 23 10.777 -1.260 -7.669
163 HZ3 LYS 23 HZ3 LYS 23 10.389 -0.511 -9.142
164 H TYR 24 H TYR 24 4.195 -2.998 -6.089
165 HA TYR 24 HA TYR 24 2.118 -1.151 -7.174
166 HB2 TYR 24 HB3 TYR 24 1.851 -4.086 -6.466
167 HB3 TYR 24 HB2 TYR 24 0.692 -3.098 -7.362
168 HD1 TYR 24 HD1 TYR 24 1.195 -2.332 -9.663
169 HD2 TYR 24 HD2 TYR 24 3.876 -4.906 -7.507
170 HE1 TYR 24 HE1 TYR 24 2.377 -2.873 -11.775
171 HE2 TYR 24 HE2 TYR 24 5.059 -5.444 -9.618
172 HH TYR 24 HH TYR 24 4.186 -3.855 -12.672
173 H MET 25 H MET 25 3.371 -2.459 -4.252
174 HA MET 25 HA MET 25 0.878 -2.115 -2.745
175 HB2 MET 25 HB3 MET 25 3.731 -2.523 -1.803
176 HB3 MET 25 HB2 MET 25 2.302 -2.576 -0.778
177 HG2 MET 25 HG3 MET 25 2.714 -4.387 -3.170
178 HG3 MET 25 HG2 MET 25 3.122 -4.843 -1.515
179 HE1 MET 25 HE1 MET 25 0.176 -5.203 0.445
180 HE2 MET 25 HE2 MET 25 0.373 -3.473 0.198
181 HE3 MET 25 HE3 MET 25 1.791 -4.504 0.320
182 H GLY 26 H GLY 26 3.964 -0.428 -3.142
183 HA2 GLY 26 HA3 GLY 26 3.482 1.677 -1.292
184 HA3 GLY 26 HA2 GLY 26 4.581 1.774 -2.669
185 H HIS 27 H HIS 27 2.283 1.076 -4.498
186 HA HIS 27 HA HIS 27 1.341 3.845 -4.843
187 HB2 HIS 27 HB3 HIS 27 2.176 2.478 -6.771
188 HB3 HIS 27 HB2 HIS 27 0.795 1.400 -6.551
189 HD2 HIS 27 HD2 HIS 27 -1.760 2.617 -7.161
190 HE1 HIS 27 HE1 HIS 27 -0.098 6.001 -9.059
191 HE2 HIS 27 HE2 HIS 27 -2.237 4.708 -8.641
192 H TYR 28 H TYR 28 0.240 0.966 -3.403
193 HA TYR 28 HA TYR 28 -2.553 2.029 -3.433
194 HB2 TYR 28 HB3 TYR 28 -1.502 -0.767 -3.691
195 HB3 TYR 28 HB2 TYR 28 -3.096 -0.491 -2.984
196 HD1 TYR 28 HD2 TYR 28 -1.034 -0.113 -6.029
197 HD2 TYR 28 HD1 TYR 28 -4.937 0.380 -4.303
198 HE1 TYR 28 HE2 TYR 28 -1.993 0.230 -8.289
199 HE2 TYR 28 HE1 TYR 28 -5.894 0.722 -6.564
200 HH TYR 28 HH TYR 28 -4.369 -0.098 -9.349
201 H CYS 29 H CYS 29 -0.263 0.002 -1.602
202 HA CYS 29 HA CYS 29 -1.695 0.874 0.855
203 HB2 CYS 29 HB3 CYS 29 0.298 -1.354 0.830
204 HB3 CYS 29 HB2 CYS 29 -1.120 -1.134 1.853
205 H LYS 30 H LYS 30 -0.693 2.567 1.804
206 HA LYS 30 HA LYS 30 2.215 2.929 1.475
207 HB2 LYS 30 HB3 LYS 30 0.591 4.682 3.266
208 HB3 LYS 30 HB2 LYS 30 1.879 5.123 2.148
209 HG2 LYS 30 HG3 LYS 30 -0.959 4.341 1.424
210 HG3 LYS 30 HG2 LYS 30 -0.242 5.941 1.274
211 HD2 LYS 30 HD3 LYS 30 1.110 3.672 -0.132
212 HD3 LYS 30 HD2 LYS 30 -0.388 4.289 -0.811
213 HE2 LYS 30 HE3 LYS 30 2.095 5.905 -0.191
214 HE3 LYS 30 HE2 LYS 30 1.485 5.488 -1.792
215 HZ1 LYS 30 HZ1 LYS 30 0.551 7.519 -1.571
216 HZ2 LYS 30 HZ2 LYS 30 0.489 7.447 0.126
217 HZ3 LYS 30 HZ3 LYS 30 -0.666 6.621 -0.805
218 H LYS 31 H LYS 31 -0.112 2.568 4.162
219 HA LYS 31 HA LYS 31 1.863 2.364 6.223
220 HB2 LYS 31 HB3 LYS 31 -1.003 1.469 5.962
221 HB3 LYS 31 HB2 LYS 31 -0.072 1.163 7.430
222 HG2 LYS 31 HG3 LYS 31 0.135 3.425 7.938
223 HG3 LYS 31 HG2 LYS 31 -0.087 3.926 6.264
224 HD2 LYS 31 HD3 LYS 31 -2.188 4.440 6.933
225 HD3 LYS 31 HD2 LYS 31 -2.485 2.714 6.774
226 HE2 LYS 31 HE3 LYS 31 -1.695 4.189 9.305
227 HE3 LYS 31 HE2 LYS 31 -3.259 3.443 8.963
228 HZ1 LYS 31 HZ1 LYS 31 -2.219 1.292 8.885
229 HZ2 LYS 31 HZ2 LYS 31 -1.815 2.043 10.355
230 HZ3 LYS 31 HZ3 LYS 31 -0.679 1.974 9.092
231 H ALA 32 H ALA 32 0.051 -0.105 4.421
232 HA ALA 32 HA ALA 32 1.203 -2.381 5.641
233 HB1 ALA 32 HB1 ALA 32 -0.003 -3.542 4.107
234 HB2 ALA 32 HB2 ALA 32 0.646 -2.626 2.749
235 HB3 ALA 32 HB3 ALA 32 -0.683 -1.970 3.708
236 H CYS 33 H CYS 33 2.546 -0.126 3.364
237 HA CYS 33 HA CYS 33 4.845 -1.974 2.918
238 HB2 CYS 33 HB3 CYS 33 3.430 -0.184 1.192
239 HB3 CYS 33 HB2 CYS 33 5.077 0.409 1.371
240 H GLY 34 H GLY 34 6.895 -0.308 2.503
241 HA2 GLY 34 HA3 GLY 34 7.380 0.778 5.167
242 HA3 GLY 34 HA2 GLY 34 8.531 0.749 3.832
243 H LEU 35 H LEU 35 5.285 2.157 3.489
244 HA LEU 35 HA LEU 35 6.630 4.768 2.975
245 HB2 LEU 35 HB3 LEU 35 3.752 3.986 2.486
246 HB3 LEU 35 HB2 LEU 35 4.580 5.408 1.854
247 HG LEU 35 HG LEU 35 4.984 2.513 1.111
248 HD11 LEU 35 HD11 LEU 35 4.350 5.060 -0.389
249 HD12 LEU 35 HD12 LEU 35 3.331 3.638 -0.205
250 HD13 LEU 35 HD13 LEU 35 4.785 3.553 -1.195
251 HD21 LEU 35 HD21 LEU 35 6.866 4.852 0.741
252 HD22 LEU 35 HD22 LEU 35 6.894 3.454 -0.334
253 HD23 LEU 35 HD23 LEU 35 7.228 3.249 1.385
254 H CYS 36 H CYS 36 4.470 3.150 5.175
255 HA CYS 36 HA CYS 36 4.670 5.356 7.064
256 HB2 CYS 36 HB3 CYS 36 2.489 5.356 5.218
257 HB3 CYS 36 HB2 CYS 36 1.844 4.974 6.814
Start of MODEL 10
1 HA VAL 1 HA VAL 1 -1.293 11.908 4.146
2 HB VAL 1 HB VAL 1 -2.898 10.652 5.517
3 HG11 VAL 1 HG11 VAL 1 -3.438 12.754 6.143
4 HG12 VAL 1 HG12 VAL 1 -4.833 12.607 5.074
5 HG13 VAL 1 HG13 VAL 1 -3.344 13.346 4.485
6 HG21 VAL 1 HG21 VAL 1 -5.293 10.538 4.600
7 HG22 VAL 1 HG22 VAL 1 -4.136 9.409 3.896
8 HG23 VAL 1 HG23 VAL 1 -4.588 10.869 3.017
9 H CYS 2 H CYS 2 -1.496 9.327 5.018
10 HA CYS 2 HA CYS 2 -0.905 7.697 2.574
11 HB2 CYS 2 HB3 CYS 2 0.848 6.564 3.834
12 HB3 CYS 2 HB2 CYS 2 1.135 8.303 3.914
13 H GLU 3 H GLU 3 -2.207 5.921 2.419
14 HA GLU 3 HA GLU 3 -3.000 4.415 4.777
15 HB2 GLU 3 HB3 GLU 3 -5.329 4.856 4.790
16 HB3 GLU 3 HB2 GLU 3 -4.580 6.447 4.665
17 HG2 GLU 3 HG3 GLU 3 -4.866 6.343 2.186
18 HG3 GLU 3 HG2 GLU 3 -5.729 4.816 2.381
19 H ASP 4 H ASP 4 -4.229 2.455 4.171
20 HA ASP 4 HA ASP 4 -3.247 1.296 1.759
21 HB2 ASP 4 HB3 ASP 4 -4.724 -0.588 2.266
22 HB3 ASP 4 HB2 ASP 4 -3.913 -0.041 3.732
23 H LEU 5 H LEU 5 -4.175 1.025 -0.257
24 HA LEU 5 HA LEU 5 -6.622 2.649 -0.767
25 HB2 LEU 5 HB3 LEU 5 -4.531 1.533 -2.667
26 HB3 LEU 5 HB2 LEU 5 -5.915 2.513 -3.154
27 HG LEU 5 HG LEU 5 -3.699 3.383 -1.271
28 HD11 LEU 5 HD11 LEU 5 -4.024 5.047 -3.568
29 HD12 LEU 5 HD12 LEU 5 -3.912 3.378 -4.122
30 HD13 LEU 5 HD13 LEU 5 -2.628 4.066 -3.128
31 HD21 LEU 5 HD21 LEU 5 -5.000 5.646 -1.885
32 HD22 LEU 5 HD22 LEU 5 -5.462 4.652 -0.502
33 HD23 LEU 5 HD23 LEU 5 -6.351 4.520 -2.018
34 H ASN 6 H ASN 6 -5.299 -0.594 -0.965
35 HA ASN 6 HA ASN 6 -7.859 -1.547 -2.157
36 HB2 ASN 6 HB3 ASN 6 -5.569 -2.205 -3.144
37 HB3 ASN 6 HB2 ASN 6 -5.390 -3.226 -1.715
38 HD21 ASN 6 HD21 ASN 6 -7.521 -2.647 -4.535
39 HD22 ASN 6 HD22 ASN 6 -8.188 -4.209 -4.551
40 H ALA 7 H ALA 7 -9.162 -2.985 -1.006
41 HA ALA 7 HA ALA 7 -8.940 -2.994 1.862
42 HB1 ALA 7 HB1 ALA 7 -10.604 -4.628 -0.069
43 HB2 ALA 7 HB2 ALA 7 -11.127 -3.262 0.918
44 HB3 ALA 7 HB3 ALA 7 -10.733 -4.805 1.681
45 H HIS 8 H HIS 8 -7.655 -5.042 -0.632
46 HA HIS 8 HA HIS 8 -7.050 -7.226 1.256
47 HB2 HIS 8 HB3 HIS 8 -6.383 -6.852 -1.679
48 HB3 HIS 8 HB2 HIS 8 -6.014 -8.299 -0.745
49 HD2 HIS 8 HD2 HIS 8 -9.199 -7.806 0.785
50 HE1 HIS 8 HE1 HIS 8 -10.372 -9.250 -3.006
51 HE2 HIS 8 HE2 HIS 8 -11.140 -8.828 -0.624
52 H CYS 9 H CYS 9 -5.782 -4.303 1.006
53 HA CYS 9 HA CYS 9 -3.051 -4.521 0.422
54 HB2 CYS 9 HB3 CYS 9 -4.687 -2.806 2.215
55 HB3 CYS 9 HB2 CYS 9 -2.944 -2.809 2.496
56 H GLU 10 H GLU 10 -4.646 -5.198 3.571
57 HA GLU 10 HA GLU 10 -2.239 -5.939 4.932
58 HB2 GLU 10 HB3 GLU 10 -4.484 -5.495 6.018
59 HB3 GLU 10 HB2 GLU 10 -5.001 -7.076 5.437
60 HG2 GLU 10 HG3 GLU 10 -3.093 -8.120 6.647
61 HG3 GLU 10 HG2 GLU 10 -2.663 -6.534 7.287
62 H MET 11 H MET 11 -4.600 -7.824 3.072
63 HA MET 11 HA MET 11 -3.457 -10.389 3.526
64 HB2 MET 11 HB3 MET 11 -4.986 -9.304 1.145
65 HB3 MET 11 HB2 MET 11 -4.635 -11.014 1.406
66 HG2 MET 11 HG3 MET 11 -5.793 -10.839 3.636
67 HG3 MET 11 HG2 MET 11 -6.271 -9.199 3.202
68 HE1 MET 11 HE1 MET 11 -6.071 -12.716 2.474
69 HE2 MET 11 HE2 MET 11 -6.441 -12.695 0.751
70 HE3 MET 11 HE3 MET 11 -7.667 -13.216 1.903
71 H TRP 12 H TRP 12 -2.740 -7.895 1.124
72 HA TRP 12 HA TRP 12 -0.833 -9.516 -0.333
73 HB2 TRP 12 HB3 TRP 12 -1.216 -6.515 -0.222
74 HB3 TRP 12 HB2 TRP 12 -0.234 -7.364 -1.410
75 HD1 TRP 12 HD1 TRP 12 -2.642 -9.796 -1.289
76 HE1 TRP 12 HE1 TRP 12 -4.632 -9.419 -2.873
77 HE3 TRP 12 HE3 TRP 12 -2.110 -4.796 -2.196
78 HZ2 TRP 12 HZ2 TRP 12 -5.845 -7.283 -4.332
79 HZ3 TRP 12 HZ3 TRP 12 -3.703 -3.617 -3.687
80 HH2 TRP 12 HH2 TRP 12 -5.567 -4.856 -4.754
81 H GLN 13 H GLN 13 -0.504 -6.959 2.118
82 HA GLN 13 HA GLN 13 2.368 -7.034 2.130
83 HB2 GLN 13 HB3 GLN 13 2.227 -5.474 3.833
84 HB3 GLN 13 HB2 GLN 13 0.648 -5.279 3.074
85 HG2 GLN 13 HG3 GLN 13 0.057 -5.485 5.321
86 HG3 GLN 13 HG2 GLN 13 -0.091 -7.144 4.764
87 HE21 GLN 13 HE21 GLN 13 0.536 -8.244 6.693
88 HE22 GLN 13 HE22 GLN 13 2.065 -8.061 7.411
89 H GLN 14 H GLN 14 -0.117 -8.771 3.964
90 HA GLN 14 HA GLN 14 1.752 -9.948 5.818
91 HB2 GLN 14 HB3 GLN 14 -0.050 -11.151 6.642
92 HB3 GLN 14 HB2 GLN 14 -0.894 -9.813 5.864
93 HG2 GLN 14 HG3 GLN 14 -0.990 -11.285 3.776
94 HG3 GLN 14 HG2 GLN 14 -0.499 -12.617 4.820
95 HE21 GLN 14 HE21 GLN 14 -2.615 -9.910 5.814
96 HE22 GLN 14 HE22 GLN 14 -3.994 -10.872 6.072
97 H LEU 15 H LEU 15 0.596 -10.755 2.599
98 HA LEU 15 HA LEU 15 1.909 -13.365 2.552
99 HB2 LEU 15 HB3 LEU 15 0.739 -11.597 0.391
100 HB3 LEU 15 HB2 LEU 15 1.435 -13.184 0.067
101 HG LEU 15 HG LEU 15 -0.844 -12.667 2.001
102 HD11 LEU 15 HD11 LEU 15 -1.921 -12.367 -0.023
103 HD12 LEU 15 HD12 LEU 15 -1.970 -14.126 0.066
104 HD13 LEU 15 HD13 LEU 15 -0.737 -13.328 -0.910
105 HD21 LEU 15 HD21 LEU 15 0.095 -14.659 2.735
106 HD22 LEU 15 HD22 LEU 15 0.719 -15.071 1.137
107 HD23 LEU 15 HD23 LEU 15 -0.997 -15.266 1.490
108 H GLY 16 H GLY 16 3.015 -10.205 2.502
109 HA2 GLY 16 HA3 GLY 16 5.337 -9.613 2.380
110 HA3 GLY 16 HA2 GLY 16 5.646 -11.100 1.490
111 H HIS 17 H HIS 17 2.951 -9.250 0.358
112 HA HIS 17 HA HIS 17 4.014 -8.938 -2.248
113 HB2 HIS 17 HB3 HIS 17 1.850 -7.415 -0.794
114 HB3 HIS 17 HB2 HIS 17 2.244 -7.121 -2.488
115 HD2 HIS 17 HD2 HIS 17 2.165 -10.784 -1.026
116 HE1 HIS 17 HE1 HIS 17 -1.018 -10.376 -3.774
117 HE2 HIS 17 HE2 HIS 17 0.232 -12.007 -2.285
118 H CYS 18 H CYS 18 4.401 -6.915 0.605
119 HA CYS 18 HA CYS 18 5.446 -4.638 -0.878
120 HB2 CYS 18 HB3 CYS 18 5.324 -5.445 2.010
121 HB3 CYS 18 HB2 CYS 18 6.464 -4.190 1.532
122 H GLN 19 H GLN 19 6.772 -7.428 0.815
123 HA GLN 19 HA GLN 19 9.536 -6.728 0.366
124 HB2 GLN 19 HB3 GLN 19 8.691 -8.314 2.140
125 HB3 GLN 19 HB2 GLN 19 8.356 -9.476 0.855
126 HG2 GLN 19 HG3 GLN 19 10.699 -9.512 0.208
127 HG3 GLN 19 HG2 GLN 19 11.077 -8.245 1.377
128 HE21 GLN 19 HE21 GLN 19 12.422 -10.707 1.589
129 HE22 GLN 19 HE22 GLN 19 11.871 -11.537 2.963
130 H TYR 20 H TYR 20 7.069 -8.473 -1.405
131 HA TYR 20 HA TYR 20 9.052 -9.297 -3.455
132 HB2 TYR 20 HB3 TYR 20 6.127 -10.019 -3.140
133 HB3 TYR 20 HB2 TYR 20 7.243 -10.723 -4.315
134 HD1 TYR 20 HD2 TYR 20 9.603 -11.465 -3.105
135 HD2 TYR 20 HD1 TYR 20 5.726 -11.320 -1.265
136 HE1 TYR 20 HE2 TYR 20 10.348 -13.106 -1.403
137 HE2 TYR 20 HE1 TYR 20 6.472 -12.960 0.439
138 HH TYR 20 HH TYR 20 9.815 -13.931 0.716
139 H SER 21 H SER 21 5.935 -7.533 -3.236
140 HA SER 21 HA SER 21 6.652 -6.277 -5.859
141 HB2 SER 21 HB3 SER 21 4.707 -7.944 -5.877
142 HB3 SER 21 HB2 SER 21 3.821 -6.760 -4.920
143 HG SER 21 HG SER 21 3.409 -6.387 -7.086
144 HA PRO 22 HA PRO 22 5.956 -3.009 -2.592
145 HB2 PRO 22 HB3 PRO 22 8.335 -1.716 -2.957
146 HB3 PRO 22 HB2 PRO 22 8.130 -3.066 -1.821
147 HG2 PRO 22 HG3 PRO 22 9.318 -3.048 -4.544
148 HG3 PRO 22 HG2 PRO 22 9.812 -3.948 -3.103
149 HD2 PRO 22 HD3 PRO 22 8.378 -5.059 -5.173
150 HD3 PRO 22 HD2 PRO 22 8.317 -5.659 -3.501
151 H LYS 23 H LYS 23 7.011 -3.071 -5.902
152 HA LYS 23 HA LYS 23 6.829 -0.331 -6.582
153 HB2 LYS 23 HB3 LYS 23 6.221 -2.784 -8.250
154 HB3 LYS 23 HB2 LYS 23 6.417 -1.157 -8.901
155 HG2 LYS 23 HG3 LYS 23 8.706 -1.070 -7.919
156 HG3 LYS 23 HG2 LYS 23 8.510 -2.737 -7.374
157 HD2 LYS 23 HD3 LYS 23 8.086 -3.398 -9.762
158 HD3 LYS 23 HD2 LYS 23 8.483 -1.751 -10.241
159 HE2 LYS 23 HE3 LYS 23 10.405 -3.408 -10.381
160 HE3 LYS 23 HE2 LYS 23 10.729 -1.961 -9.430
161 HZ1 LYS 23 HZ1 LYS 23 10.592 -3.115 -7.460
162 HZ2 LYS 23 HZ2 LYS 23 11.306 -4.276 -8.474
163 HZ3 LYS 23 HZ3 LYS 23 9.647 -4.359 -8.116
164 H TYR 24 H TYR 24 4.253 -2.781 -6.264
165 HA TYR 24 HA TYR 24 2.310 -0.655 -7.058
166 HB2 TYR 24 HB3 TYR 24 1.745 -3.603 -6.656
167 HB3 TYR 24 HB2 TYR 24 0.724 -2.413 -7.463
168 HD1 TYR 24 HD2 TYR 24 4.040 -4.108 -7.661
169 HD2 TYR 24 HD1 TYR 24 0.985 -1.950 -9.773
170 HE1 TYR 24 HE2 TYR 24 5.187 -4.585 -9.807
171 HE2 TYR 24 HE1 TYR 24 2.134 -2.428 -11.918
172 HH TYR 24 HH TYR 24 3.722 -3.752 -12.900
173 H MET 25 H MET 25 3.423 -2.527 -4.313
174 HA MET 25 HA MET 25 1.019 -2.116 -2.723
175 HB2 MET 25 HB3 MET 25 3.886 -2.716 -1.950
176 HB3 MET 25 HB2 MET 25 2.577 -2.584 -0.780
177 HG2 MET 25 HG3 MET 25 2.621 -4.505 -3.128
178 HG3 MET 25 HG2 MET 25 2.984 -4.942 -1.462
179 HE1 MET 25 HE1 MET 25 1.277 -3.703 0.406
180 HE2 MET 25 HE2 MET 25 1.243 -5.460 0.343
181 HE3 MET 25 HE3 MET 25 -0.267 -4.559 0.445
182 H GLY 26 H GLY 26 4.127 -0.418 -3.049
183 HA2 GLY 26 HA3 GLY 26 3.596 1.616 -1.119
184 HA3 GLY 26 HA2 GLY 26 4.718 1.778 -2.472
185 H HIS 27 H HIS 27 2.529 1.123 -4.401
186 HA HIS 27 HA HIS 27 1.495 3.866 -4.653
187 HB2 HIS 27 HB3 HIS 27 2.446 2.585 -6.605
188 HB3 HIS 27 HB2 HIS 27 1.058 1.498 -6.493
189 HD2 HIS 27 HD2 HIS 27 -1.398 2.603 -7.390
190 HE1 HIS 27 HE1 HIS 27 0.193 6.322 -8.608
191 HE2 HIS 27 HE2 HIS 27 -1.868 4.843 -8.642
192 H TYR 28 H TYR 28 0.436 0.857 -3.422
193 HA TYR 28 HA TYR 28 -2.387 1.844 -3.479
194 HB2 TYR 28 HB3 TYR 28 -1.243 -0.902 -3.850
195 HB3 TYR 28 HB2 TYR 28 -2.853 -0.726 -3.147
196 HD1 TYR 28 HD2 TYR 28 -0.771 -0.061 -6.138
197 HD2 TYR 28 HD1 TYR 28 -4.722 0.072 -4.455
198 HE1 TYR 28 HE2 TYR 28 -1.719 0.326 -8.395
199 HE2 TYR 28 HE1 TYR 28 -5.669 0.460 -6.715
200 HH TYR 28 HH TYR 28 -3.999 1.502 -9.251
201 H CYS 29 H CYS 29 -0.109 -0.214 -1.630
202 HA CYS 29 HA CYS 29 -1.653 0.521 0.813
203 HB2 CYS 29 HB3 CYS 29 0.466 -1.612 0.668
204 HB3 CYS 29 HB2 CYS 29 -0.864 -1.454 1.811
205 H LYS 30 H LYS 30 -0.763 2.262 1.817
206 HA LYS 30 HA LYS 30 2.126 2.790 1.542
207 HB2 LYS 30 HB3 LYS 30 0.361 4.458 3.278
208 HB3 LYS 30 HB2 LYS 30 1.651 4.959 2.185
209 HG2 LYS 30 HG3 LYS 30 -1.081 3.938 1.348
210 HG3 LYS 30 HG2 LYS 30 -0.554 5.617 1.295
211 HD2 LYS 30 HD3 LYS 30 1.040 3.510 -0.147
212 HD3 LYS 30 HD2 LYS 30 -0.420 4.162 -0.881
213 HE2 LYS 30 HE3 LYS 30 1.968 5.774 0.063
214 HE3 LYS 30 HE2 LYS 30 1.533 5.448 -1.613
215 HZ1 LYS 30 HZ1 LYS 30 0.037 7.057 0.372
216 HZ2 LYS 30 HZ2 LYS 30 -0.652 6.532 -1.089
217 HZ3 LYS 30 HZ3 LYS 30 0.691 7.571 -1.106
218 H LYS 31 H LYS 31 -0.193 2.462 4.244
219 HA LYS 31 HA LYS 31 1.759 2.324 6.324
220 HB2 LYS 31 HB3 LYS 31 -1.041 1.198 6.095
221 HB3 LYS 31 HB2 LYS 31 -0.104 1.169 7.586
222 HG2 LYS 31 HG3 LYS 31 -0.198 3.469 7.856
223 HG3 LYS 31 HG2 LYS 31 -0.406 3.768 6.133
224 HD2 LYS 31 HD3 LYS 31 -2.556 4.180 6.879
225 HD3 LYS 31 HD2 LYS 31 -2.685 2.460 6.523
226 HE2 LYS 31 HE3 LYS 31 -1.825 2.241 9.033
227 HE3 LYS 31 HE2 LYS 31 -2.539 3.845 9.168
228 HZ1 LYS 31 HZ1 LYS 31 -4.253 2.103 7.736
229 HZ2 LYS 31 HZ2 LYS 31 -4.558 2.971 9.164
230 HZ3 LYS 31 HZ3 LYS 31 -3.859 1.424 9.240
231 H ALA 32 H ALA 32 0.027 -0.192 4.549
232 HA ALA 32 HA ALA 32 1.173 -2.454 5.788
233 HB1 ALA 32 HB1 ALA 32 0.021 -3.602 4.203
234 HB2 ALA 32 HB2 ALA 32 0.719 -2.672 2.879
235 HB3 ALA 32 HB3 ALA 32 -0.645 -2.028 3.794
236 H CYS 33 H CYS 33 2.520 -0.199 3.506
237 HA CYS 33 HA CYS 33 4.880 -1.986 3.140
238 HB2 CYS 33 HB3 CYS 33 3.450 -0.250 1.363
239 HB3 CYS 33 HB2 CYS 33 5.081 0.377 1.561
240 H GLY 34 H GLY 34 6.898 -0.267 2.746
241 HA2 GLY 34 HA3 GLY 34 7.289 0.843 5.412
242 HA3 GLY 34 HA2 GLY 34 8.467 0.864 4.102
243 H LEU 35 H LEU 35 5.203 2.123 3.602
244 HA LEU 35 HA LEU 35 6.453 4.794 3.188
245 HB2 LEU 35 HB3 LEU 35 3.616 3.930 2.584
246 HB3 LEU 35 HB2 LEU 35 4.439 5.364 1.981
247 HG LEU 35 HG LEU 35 4.938 2.479 1.257
248 HD11 LEU 35 HD11 LEU 35 4.806 3.534 -1.055
249 HD12 LEU 35 HD12 LEU 35 4.277 5.012 -0.251
250 HD13 LEU 35 HD13 LEU 35 3.309 3.546 -0.127
251 HD21 LEU 35 HD21 LEU 35 7.148 3.279 1.612
252 HD22 LEU 35 HD22 LEU 35 6.760 4.868 0.949
253 HD23 LEU 35 HD23 LEU 35 6.869 3.472 -0.120
254 H CYS 36 H CYS 36 4.285 3.068 5.290
255 HA CYS 36 HA CYS 36 4.254 5.334 7.145
256 HB2 CYS 36 HB3 CYS 36 2.033 4.845 5.347
257 HB3 CYS 36 HB2 CYS 36 1.532 4.641 7.022
Start of MODEL 11
1 HA VAL 1 HA VAL 1 -1.216 11.638 4.659
2 HB VAL 1 HB VAL 1 -3.056 12.888 3.398
3 HG11 VAL 1 HG11 VAL 1 -2.296 11.540 1.239
4 HG12 VAL 1 HG12 VAL 1 -3.983 11.999 1.469
5 HG13 VAL 1 HG13 VAL 1 -3.455 10.361 1.846
6 HG21 VAL 1 HG21 VAL 1 -3.518 11.331 5.272
7 HG22 VAL 1 HG22 VAL 1 -3.566 9.987 4.130
8 HG23 VAL 1 HG23 VAL 1 -4.785 11.258 4.047
9 H CYS 2 H CYS 2 -1.227 9.394 4.964
10 HA CYS 2 HA CYS 2 -0.657 7.724 2.552
11 HB2 CYS 2 HB3 CYS 2 1.114 6.596 3.659
12 HB3 CYS 2 HB2 CYS 2 1.388 8.299 4.015
13 H GLU 3 H GLU 3 -2.035 5.988 2.432
14 HA GLU 3 HA GLU 3 -2.908 4.590 4.826
15 HB2 GLU 3 HB3 GLU 3 -5.226 5.108 4.790
16 HB3 GLU 3 HB2 GLU 3 -4.405 6.666 4.676
17 HG2 GLU 3 HG3 GLU 3 -4.638 6.536 2.181
18 HG3 GLU 3 HG2 GLU 3 -5.609 5.079 2.393
19 H ASP 4 H ASP 4 -4.204 2.668 4.293
20 HA ASP 4 HA ASP 4 -3.294 1.389 1.910
21 HB2 ASP 4 HB3 ASP 4 -4.858 -0.423 2.520
22 HB3 ASP 4 HB2 ASP 4 -3.920 0.119 3.911
23 H LEU 5 H LEU 5 -4.225 1.158 -0.099
24 HA LEU 5 HA LEU 5 -6.720 2.729 -0.577
25 HB2 LEU 5 HB3 LEU 5 -4.572 1.786 -2.502
26 HB3 LEU 5 HB2 LEU 5 -5.989 2.733 -2.949
27 HG LEU 5 HG LEU 5 -3.894 3.620 -0.944
28 HD11 LEU 5 HD11 LEU 5 -2.647 4.140 -2.751
29 HD12 LEU 5 HD12 LEU 5 -3.890 5.315 -3.178
30 HD13 LEU 5 HD13 LEU 5 -3.948 3.686 -3.852
31 HD21 LEU 5 HD21 LEU 5 -6.481 4.716 -1.940
32 HD22 LEU 5 HD22 LEU 5 -5.162 5.864 -1.714
33 HD23 LEU 5 HD23 LEU 5 -5.723 4.888 -0.357
34 H ASN 6 H ASN 6 -5.279 -0.456 -0.826
35 HA ASN 6 HA ASN 6 -7.738 -1.458 -2.184
36 HB2 ASN 6 HB3 ASN 6 -5.408 -2.029 -3.080
37 HB3 ASN 6 HB2 ASN 6 -5.208 -3.026 -1.637
38 HD21 ASN 6 HD21 ASN 6 -7.387 -2.582 -4.466
39 HD22 ASN 6 HD22 ASN 6 -7.903 -4.197 -4.510
40 H ALA 7 H ALA 7 -9.095 -2.903 -1.130
41 HA ALA 7 HA ALA 7 -9.012 -3.001 1.740
42 HB1 ALA 7 HB1 ALA 7 -10.595 -5.159 0.723
43 HB2 ALA 7 HB2 ALA 7 -10.840 -3.756 -0.317
44 HB3 ALA 7 HB3 ALA 7 -11.147 -3.636 1.417
45 H HIS 8 H HIS 8 -7.592 -4.971 -0.727
46 HA HIS 8 HA HIS 8 -7.093 -7.225 1.126
47 HB2 HIS 8 HB3 HIS 8 -6.261 -6.807 -1.759
48 HB3 HIS 8 HB2 HIS 8 -6.077 -8.301 -0.851
49 HD2 HIS 8 HD2 HIS 8 -9.345 -7.447 0.412
50 HE1 HIS 8 HE1 HIS 8 -10.291 -8.899 -3.436
51 HE2 HIS 8 HE2 HIS 8 -11.235 -8.325 -1.154
52 H CYS 9 H CYS 9 -5.763 -4.300 0.937
53 HA CYS 9 HA CYS 9 -3.038 -4.544 0.410
54 HB2 CYS 9 HB3 CYS 9 -4.590 -2.919 2.398
55 HB3 CYS 9 HB2 CYS 9 -2.826 -2.897 2.454
56 H GLU 10 H GLU 10 -4.667 -5.337 3.507
57 HA GLU 10 HA GLU 10 -2.278 -6.232 4.821
58 HB2 GLU 10 HB3 GLU 10 -4.448 -5.708 5.972
59 HB3 GLU 10 HB2 GLU 10 -5.113 -7.196 5.295
60 HG2 GLU 10 HG3 GLU 10 -4.348 -7.732 7.507
61 HG3 GLU 10 HG2 GLU 10 -3.177 -8.425 6.385
62 H MET 11 H MET 11 -4.672 -7.847 2.796
63 HA MET 11 HA MET 11 -3.759 -10.521 3.175
64 HB2 MET 11 HB3 MET 11 -5.065 -9.225 0.775
65 HB3 MET 11 HB2 MET 11 -4.879 -10.963 0.991
66 HG2 MET 11 HG3 MET 11 -6.400 -9.103 2.843
67 HG3 MET 11 HG2 MET 11 -7.123 -10.234 1.702
68 HE1 MET 11 HE1 MET 11 -6.691 -12.578 1.573
69 HE2 MET 11 HE2 MET 11 -6.379 -13.668 2.923
70 HE3 MET 11 HE3 MET 11 -5.030 -12.889 2.099
71 H TRP 12 H TRP 12 -2.647 -7.911 1.098
72 HA TRP 12 HA TRP 12 -0.805 -9.686 -0.356
73 HB2 TRP 12 HB3 TRP 12 -1.071 -6.674 -0.424
74 HB3 TRP 12 HB2 TRP 12 -0.178 -7.663 -1.570
75 HD1 TRP 12 HD1 TRP 12 -2.690 -9.929 -1.403
76 HE1 TRP 12 HE1 TRP 12 -4.696 -9.456 -2.947
77 HE3 TRP 12 HE3 TRP 12 -1.959 -4.951 -2.296
78 HZ2 TRP 12 HZ2 TRP 12 -5.844 -7.253 -4.372
79 HZ3 TRP 12 HZ3 TRP 12 -3.526 -3.692 -3.746
80 HH2 TRP 12 HH2 TRP 12 -5.462 -4.839 -4.788
81 H GLN 13 H GLN 13 -0.551 -7.059 2.052
82 HA GLN 13 HA GLN 13 2.332 -7.097 2.073
83 HB2 GLN 13 HB3 GLN 13 2.195 -5.572 3.845
84 HB3 GLN 13 HB2 GLN 13 0.681 -5.293 2.984
85 HG2 GLN 13 HG3 GLN 13 -0.049 -5.499 5.199
86 HG3 GLN 13 HG2 GLN 13 -0.266 -7.134 4.580
87 HE21 GLN 13 HE21 GLN 13 0.141 -8.294 6.526
88 HE22 GLN 13 HE22 GLN 13 1.627 -8.250 7.343
89 H GLN 14 H GLN 14 -0.157 -8.836 3.861
90 HA GLN 14 HA GLN 14 1.590 -9.967 5.829
91 HB2 GLN 14 HB3 GLN 14 -0.195 -11.424 6.360
92 HB3 GLN 14 HB2 GLN 14 -0.991 -9.966 5.768
93 HG2 GLN 14 HG3 GLN 14 -0.997 -11.062 3.470
94 HG3 GLN 14 HG2 GLN 14 -0.531 -12.557 4.283
95 HE21 GLN 14 HE21 GLN 14 -2.729 -10.046 5.569
96 HE22 GLN 14 HE22 GLN 14 -4.099 -11.048 5.632
97 H LEU 15 H LEU 15 0.909 -10.739 2.495
98 HA LEU 15 HA LEU 15 2.310 -13.327 2.637
99 HB2 LEU 15 HB3 LEU 15 1.211 -11.748 0.294
100 HB3 LEU 15 HB2 LEU 15 1.868 -13.381 0.186
101 HG LEU 15 HG LEU 15 -0.530 -12.527 1.835
102 HD11 LEU 15 HD11 LEU 15 -1.048 -14.578 -0.100
103 HD12 LEU 15 HD12 LEU 15 -0.257 -13.226 -0.910
104 HD13 LEU 15 HD13 LEU 15 -1.746 -12.961 -0.005
105 HD21 LEU 15 HD21 LEU 15 -0.691 -15.172 1.879
106 HD22 LEU 15 HD22 LEU 15 0.310 -14.321 3.055
107 HD23 LEU 15 HD23 LEU 15 1.052 -15.068 1.640
108 H GLY 16 H GLY 16 3.188 -10.094 2.442
109 HA2 GLY 16 HA3 GLY 16 5.494 -9.402 2.405
110 HA3 GLY 16 HA2 GLY 16 5.896 -10.863 1.512
111 H HIS 17 H HIS 17 3.112 -9.354 0.229
112 HA HIS 17 HA HIS 17 4.224 -8.884 -2.305
113 HB2 HIS 17 HB3 HIS 17 1.919 -7.541 -0.896
114 HB3 HIS 17 HB2 HIS 17 2.366 -7.129 -2.554
115 HD2 HIS 17 HD2 HIS 17 2.442 -10.846 -1.241
116 HE1 HIS 17 HE1 HIS 17 -0.548 -10.535 -4.207
117 HE2 HIS 17 HE2 HIS 17 0.735 -12.147 -2.725
118 H CYS 18 H CYS 18 4.374 -6.867 0.570
119 HA CYS 18 HA CYS 18 5.376 -4.531 -0.857
120 HB2 CYS 18 HB3 CYS 18 4.972 -5.320 1.989
121 HB3 CYS 18 HB2 CYS 18 6.212 -4.106 1.674
122 H GLN 19 H GLN 19 6.736 -7.250 0.918
123 HA GLN 19 HA GLN 19 9.487 -6.353 0.635
124 HB2 GLN 19 HB3 GLN 19 8.599 -7.943 2.427
125 HB3 GLN 19 HB2 GLN 19 8.513 -9.172 1.164
126 HG2 GLN 19 HG3 GLN 19 10.923 -8.891 0.719
127 HG3 GLN 19 HG2 GLN 19 11.012 -7.660 1.980
128 HE21 GLN 19 HE21 GLN 19 12.657 -9.778 2.447
129 HE22 GLN 19 HE22 GLN 19 12.017 -10.812 3.631
130 H TYR 20 H TYR 20 7.247 -8.361 -1.149
131 HA TYR 20 HA TYR 20 9.377 -9.165 -3.050
132 HB2 TYR 20 HB3 TYR 20 6.479 -10.034 -2.873
133 HB3 TYR 20 HB2 TYR 20 7.726 -10.764 -3.887
134 HD1 TYR 20 HD1 TYR 20 10.049 -11.054 -2.268
135 HD2 TYR 20 HD2 TYR 20 5.939 -11.423 -1.076
136 HE1 TYR 20 HE1 TYR 20 10.727 -12.511 -0.385
137 HE2 TYR 20 HE2 TYR 20 6.618 -12.885 0.809
138 HH TYR 20 HH TYR 20 9.126 -13.071 2.176
139 H SER 21 H SER 21 6.160 -7.575 -3.069
140 HA SER 21 HA SER 21 6.983 -6.376 -5.686
141 HB2 SER 21 HB3 SER 21 5.035 -8.236 -5.516
142 HB3 SER 21 HB2 SER 21 4.082 -6.790 -5.192
143 HG SER 21 HG SER 21 4.121 -6.716 -7.317
144 HA PRO 22 HA PRO 22 5.743 -3.119 -2.584
145 HB2 PRO 22 HB3 PRO 22 8.005 -1.591 -2.885
146 HB3 PRO 22 HB2 PRO 22 7.836 -2.875 -1.677
147 HG2 PRO 22 HG3 PRO 22 9.270 -2.899 -4.267
148 HG3 PRO 22 HG2 PRO 22 9.661 -3.715 -2.747
149 HD2 PRO 22 HD3 PRO 22 8.521 -4.971 -4.930
150 HD3 PRO 22 HD2 PRO 22 8.381 -5.555 -3.258
151 H LYS 23 H LYS 23 6.786 -3.203 -5.868
152 HA LYS 23 HA LYS 23 6.472 -0.489 -6.636
153 HB2 LYS 23 HB3 LYS 23 7.448 -2.265 -8.082
154 HB3 LYS 23 HB2 LYS 23 5.833 -2.947 -8.285
155 HG2 LYS 23 HG3 LYS 23 5.062 -0.762 -9.216
156 HG3 LYS 23 HG2 LYS 23 6.718 -0.163 -9.101
157 HD2 LYS 23 HD3 LYS 23 7.447 -2.073 -10.555
158 HD3 LYS 23 HD2 LYS 23 5.749 -2.500 -10.767
159 HE2 LYS 23 HE3 LYS 23 6.963 0.183 -11.489
160 HE3 LYS 23 HE2 LYS 23 6.602 -1.101 -12.639
161 HZ1 LYS 23 HZ1 LYS 23 4.790 0.681 -11.210
162 HZ2 LYS 23 HZ2 LYS 23 4.264 -0.919 -11.448
163 HZ3 LYS 23 HZ3 LYS 23 4.678 0.050 -12.781
164 H TYR 24 H TYR 24 4.039 -3.025 -6.174
165 HA TYR 24 HA TYR 24 1.963 -1.109 -7.129
166 HB2 TYR 24 HB3 TYR 24 1.586 -4.024 -6.403
167 HB3 TYR 24 HB2 TYR 24 0.516 -2.998 -7.362
168 HD1 TYR 24 HD2 TYR 24 1.202 -2.230 -9.621
169 HD2 TYR 24 HD1 TYR 24 3.540 -5.040 -7.365
170 HE1 TYR 24 HE2 TYR 24 2.427 -2.859 -11.679
171 HE2 TYR 24 HE1 TYR 24 4.766 -5.671 -9.427
172 HH TYR 24 HH TYR 24 4.137 -4.014 -12.516
173 H MET 25 H MET 25 3.291 -2.436 -4.260
174 HA MET 25 HA MET 25 0.863 -2.112 -2.649
175 HB2 MET 25 HB3 MET 25 3.763 -2.492 -1.846
176 HB3 MET 25 HB2 MET 25 2.395 -2.520 -0.737
177 HG2 MET 25 HG3 MET 25 2.710 -4.385 -3.105
178 HG3 MET 25 HG2 MET 25 3.128 -4.808 -1.444
179 HE1 MET 25 HE1 MET 25 1.829 -4.314 0.378
180 HE2 MET 25 HE2 MET 25 0.461 -5.407 0.512
181 HE3 MET 25 HE3 MET 25 0.182 -3.676 0.383
182 H GLY 26 H GLY 26 3.949 -0.401 -3.074
183 HA2 GLY 26 HA3 GLY 26 3.409 1.706 -1.239
184 HA3 GLY 26 HA2 GLY 26 4.539 1.813 -2.591
185 H HIS 27 H HIS 27 2.321 1.096 -4.485
186 HA HIS 27 HA HIS 27 1.347 3.848 -4.856
187 HB2 HIS 27 HB3 HIS 27 2.239 2.507 -6.765
188 HB3 HIS 27 HB2 HIS 27 0.888 1.389 -6.566
189 HD2 HIS 27 HD2 HIS 27 -1.711 2.582 -7.153
190 HE1 HIS 27 HE1 HIS 27 -0.064 5.896 -9.191
191 HE2 HIS 27 HE2 HIS 27 -2.205 4.631 -8.694
192 H TYR 28 H TYR 28 0.255 0.962 -3.434
193 HA TYR 28 HA TYR 28 -2.549 1.993 -3.484
194 HB2 TYR 28 HB3 TYR 28 -1.464 -0.778 -3.808
195 HB3 TYR 28 HB2 TYR 28 -3.044 -0.556 -3.056
196 HD1 TYR 28 HD2 TYR 28 -1.064 -0.074 -6.137
197 HD2 TYR 28 HD1 TYR 28 -4.935 0.280 -4.307
198 HE1 TYR 28 HE2 TYR 28 -2.093 0.243 -8.372
199 HE2 TYR 28 HE1 TYR 28 -5.963 0.596 -6.542
200 HH TYR 28 HH TYR 28 -3.986 0.927 -9.441
201 H CYS 29 H CYS 29 -0.315 -0.119 -1.651
202 HA CYS 29 HA CYS 29 -1.772 0.713 0.811
203 HB2 CYS 29 HB3 CYS 29 0.263 -1.491 0.705
204 HB3 CYS 29 HB2 CYS 29 -1.107 -1.296 1.796
205 H LYS 30 H LYS 30 -0.787 2.421 1.791
206 HA LYS 30 HA LYS 30 2.122 2.797 1.479
207 HB2 LYS 30 HB3 LYS 30 0.453 4.536 3.248
208 HB3 LYS 30 HB2 LYS 30 1.785 4.981 2.185
209 HG2 LYS 30 HG3 LYS 30 -0.995 4.153 1.296
210 HG3 LYS 30 HG2 LYS 30 -0.356 5.794 1.276
211 HD2 LYS 30 HD3 LYS 30 1.014 3.550 -0.215
212 HD3 LYS 30 HD2 LYS 30 -0.292 4.480 -0.939
213 HE2 LYS 30 HE3 LYS 30 2.307 5.609 0.139
214 HE3 LYS 30 HE2 LYS 30 1.863 5.458 -1.557
215 HZ1 LYS 30 HZ1 LYS 30 0.700 7.233 0.493
216 HZ2 LYS 30 HZ2 LYS 30 -0.157 6.846 -0.923
217 HZ3 LYS 30 HZ3 LYS 30 1.341 7.640 -1.024
218 H LYS 31 H LYS 31 -0.176 2.590 4.209
219 HA LYS 31 HA LYS 31 1.788 2.349 6.258
220 HB2 LYS 31 HB3 LYS 31 -1.061 1.381 6.015
221 HB3 LYS 31 HB2 LYS 31 -0.125 1.202 7.499
222 HG2 LYS 31 HG3 LYS 31 -0.088 3.469 7.917
223 HG3 LYS 31 HG2 LYS 31 -0.171 3.893 6.206
224 HD2 LYS 31 HD3 LYS 31 -2.304 4.469 6.897
225 HD3 LYS 31 HD2 LYS 31 -2.578 2.806 6.385
226 HE2 LYS 31 HE3 LYS 31 -2.049 3.746 9.219
227 HE3 LYS 31 HE2 LYS 31 -3.593 3.178 8.582
228 HZ1 LYS 31 HZ1 LYS 31 -2.004 1.143 7.938
229 HZ2 LYS 31 HZ2 LYS 31 -2.876 1.226 9.394
230 HZ3 LYS 31 HZ3 LYS 31 -1.237 1.669 9.357
231 H ALA 32 H ALA 32 -0.013 -0.111 4.451
232 HA ALA 32 HA ALA 32 1.102 -2.391 5.691
233 HB1 ALA 32 HB1 ALA 32 0.029 -3.574 4.049
234 HB2 ALA 32 HB2 ALA 32 0.610 -2.523 2.759
235 HB3 ALA 32 HB3 ALA 32 -0.748 -2.020 3.768
236 H CYS 33 H CYS 33 2.507 -0.113 3.502
237 HA CYS 33 HA CYS 33 4.844 -1.921 3.086
238 HB2 CYS 33 HB3 CYS 33 3.463 -0.083 1.370
239 HB3 CYS 33 HB2 CYS 33 5.114 0.474 1.591
240 H GLY 34 H GLY 34 6.963 -0.434 2.928
241 HA2 GLY 34 HA3 GLY 34 7.340 0.635 5.575
242 HA3 GLY 34 HA2 GLY 34 8.521 0.713 4.269
243 H LEU 35 H LEU 35 5.569 1.957 3.257
244 HA LEU 35 HA LEU 35 6.652 4.656 3.201
245 HB2 LEU 35 HB3 LEU 35 3.803 3.797 2.616
246 HB3 LEU 35 HB2 LEU 35 4.614 5.262 2.060
247 HG LEU 35 HG LEU 35 5.137 2.415 1.223
248 HD11 LEU 35 HD11 LEU 35 4.852 3.405 -1.034
249 HD12 LEU 35 HD12 LEU 35 4.523 4.965 -0.283
250 HD13 LEU 35 HD13 LEU 35 3.419 3.617 -0.027
251 HD21 LEU 35 HD21 LEU 35 7.030 3.462 -0.141
252 HD22 LEU 35 HD22 LEU 35 7.331 3.273 1.586
253 HD23 LEU 35 HD23 LEU 35 6.897 4.854 0.935
254 H CYS 36 H CYS 36 4.378 2.840 5.190
255 HA CYS 36 HA CYS 36 4.466 5.027 7.175
256 HB2 CYS 36 HB3 CYS 36 2.145 4.434 5.479
257 HB3 CYS 36 HB2 CYS 36 1.778 4.421 7.201
Start of MODEL 12
1 HA VAL 1 HA VAL 1 -0.929 11.745 4.475
2 HB VAL 1 HB VAL 1 -3.083 10.456 4.903
3 HG11 VAL 1 HG11 VAL 1 -4.305 12.432 5.495
4 HG12 VAL 1 HG12 VAL 1 -3.514 13.377 4.234
5 HG13 VAL 1 HG13 VAL 1 -2.596 12.842 5.642
6 HG21 VAL 1 HG21 VAL 1 -3.610 10.268 2.427
7 HG22 VAL 1 HG22 VAL 1 -4.037 11.979 2.461
8 HG23 VAL 1 HG23 VAL 1 -4.954 10.823 3.426
9 H CYS 2 H CYS 2 -1.408 9.239 5.034
10 HA CYS 2 HA CYS 2 -0.661 7.592 2.658
11 HB2 CYS 2 HB3 CYS 2 1.113 6.537 3.829
12 HB3 CYS 2 HB2 CYS 2 1.309 8.248 4.204
13 H GLU 3 H GLU 3 -2.040 5.859 2.506
14 HA GLU 3 HA GLU 3 -2.923 4.420 4.874
15 HB2 GLU 3 HB3 GLU 3 -5.250 4.934 4.808
16 HB3 GLU 3 HB2 GLU 3 -4.417 6.490 4.764
17 HG2 GLU 3 HG3 GLU 3 -4.592 6.429 2.256
18 HG3 GLU 3 HG2 GLU 3 -5.597 4.989 2.411
19 H ASP 4 H ASP 4 -4.206 2.495 4.290
20 HA ASP 4 HA ASP 4 -3.286 1.287 1.866
21 HB2 ASP 4 HB3 ASP 4 -4.805 -0.564 2.428
22 HB3 ASP 4 HB2 ASP 4 -3.913 -0.034 3.853
23 H LEU 5 H LEU 5 -4.284 1.008 -0.129
24 HA LEU 5 HA LEU 5 -6.741 2.650 -0.560
25 HB2 LEU 5 HB3 LEU 5 -4.629 1.672 -2.509
26 HB3 LEU 5 HB2 LEU 5 -6.072 2.571 -2.974
27 HG LEU 5 HG LEU 5 -3.958 3.567 -1.038
28 HD11 LEU 5 HD11 LEU 5 -4.122 3.580 -3.944
29 HD12 LEU 5 HD12 LEU 5 -2.796 4.105 -2.901
30 HD13 LEU 5 HD13 LEU 5 -4.101 5.222 -3.298
31 HD21 LEU 5 HD21 LEU 5 -5.394 5.727 -1.930
32 HD22 LEU 5 HD22 LEU 5 -5.707 4.888 -0.413
33 HD23 LEU 5 HD23 LEU 5 -6.643 4.486 -1.852
34 H ASN 6 H ASN 6 -5.387 -0.579 -0.894
35 HA ASN 6 HA ASN 6 -7.936 -1.510 -2.131
36 HB2 ASN 6 HB3 ASN 6 -5.587 -2.113 -3.072
37 HB3 ASN 6 HB2 ASN 6 -5.501 -3.229 -1.708
38 HD21 ASN 6 HD21 ASN 6 -6.330 -5.277 -2.151
39 HD22 ASN 6 HD22 ASN 6 -7.496 -5.621 -3.336
40 H ALA 7 H ALA 7 -9.229 -3.029 -1.057
41 HA ALA 7 HA ALA 7 -9.102 -3.117 1.805
42 HB1 ALA 7 HB1 ALA 7 -11.238 -3.704 1.358
43 HB2 ALA 7 HB2 ALA 7 -10.627 -5.317 0.994
44 HB3 ALA 7 HB3 ALA 7 -10.830 -4.140 -0.302
45 H HIS 8 H HIS 8 -7.728 -5.115 -0.701
46 HA HIS 8 HA HIS 8 -7.019 -7.243 1.228
47 HB2 HIS 8 HB3 HIS 8 -6.531 -6.963 -1.751
48 HB3 HIS 8 HB2 HIS 8 -6.044 -8.358 -0.792
49 HD2 HIS 8 HD2 HIS 8 -9.159 -7.948 0.904
50 HE1 HIS 8 HE1 HIS 8 -10.473 -9.574 -2.767
51 HE2 HIS 8 HE2 HIS 8 -11.131 -9.098 -0.364
52 H CYS 9 H CYS 9 -5.886 -4.338 0.956
53 HA CYS 9 HA CYS 9 -3.177 -4.391 0.193
54 HB2 CYS 9 HB3 CYS 9 -4.851 -2.780 2.017
55 HB3 CYS 9 HB2 CYS 9 -3.130 -2.769 2.399
56 H GLU 10 H GLU 10 -4.409 -4.798 3.524
57 HA GLU 10 HA GLU 10 -1.947 -5.714 4.620
58 HB2 GLU 10 HB3 GLU 10 -4.823 -6.174 5.442
59 HB3 GLU 10 HB2 GLU 10 -3.447 -6.691 6.419
60 HG2 GLU 10 HG3 GLU 10 -2.626 -4.339 6.451
61 HG3 GLU 10 HG2 GLU 10 -4.064 -3.849 5.556
62 H MET 11 H MET 11 -4.579 -7.380 2.989
63 HA MET 11 HA MET 11 -3.796 -10.059 3.579
64 HB2 MET 11 HB3 MET 11 -5.968 -9.336 2.518
65 HB3 MET 11 HB2 MET 11 -5.076 -9.065 1.022
66 HG2 MET 11 HG3 MET 11 -5.724 -11.244 0.651
67 HG3 MET 11 HG2 MET 11 -4.227 -11.550 1.531
68 HE1 MET 11 HE1 MET 11 -8.303 -10.993 3.311
69 HE2 MET 11 HE2 MET 11 -8.365 -12.155 1.987
70 HE3 MET 11 HE3 MET 11 -7.684 -10.554 1.711
71 H TRP 12 H TRP 12 -2.629 -7.698 1.249
72 HA TRP 12 HA TRP 12 -0.985 -9.700 -0.155
73 HB2 TRP 12 HB3 TRP 12 -1.069 -6.689 -0.429
74 HB3 TRP 12 HB2 TRP 12 -0.248 -7.793 -1.518
75 HD1 TRP 12 HD1 TRP 12 -2.847 -9.929 -1.219
76 HE1 TRP 12 HE1 TRP 12 -4.865 -9.436 -2.744
77 HE3 TRP 12 HE3 TRP 12 -1.929 -5.035 -2.333
78 HZ2 TRP 12 HZ2 TRP 12 -5.947 -7.248 -4.238
79 HZ3 TRP 12 HZ3 TRP 12 -3.467 -3.767 -3.805
80 HH2 TRP 12 HH2 TRP 12 -5.475 -4.867 -4.759
81 H GLN 13 H GLN 13 -0.490 -7.031 2.149
82 HA GLN 13 HA GLN 13 2.386 -7.158 2.046
83 HB2 GLN 13 HB3 GLN 13 2.376 -5.626 3.807
84 HB3 GLN 13 HB2 GLN 13 0.824 -5.309 3.035
85 HG2 GLN 13 HG3 GLN 13 0.225 -5.480 5.293
86 HG3 GLN 13 HG2 GLN 13 -0.082 -7.109 4.706
87 HE21 GLN 13 HE21 GLN 13 0.330 -8.041 6.841
88 HE22 GLN 13 HE22 GLN 13 1.902 -8.131 7.472
89 H GLN 14 H GLN 14 -0.058 -8.812 3.982
90 HA GLN 14 HA GLN 14 1.768 -10.006 5.837
91 HB2 GLN 14 HB3 GLN 14 -0.042 -11.365 6.514
92 HB3 GLN 14 HB2 GLN 14 -0.814 -9.890 5.934
93 HG2 GLN 14 HG3 GLN 14 -0.990 -11.053 3.663
94 HG3 GLN 14 HG2 GLN 14 -0.569 -12.541 4.510
95 HE21 GLN 14 HE21 GLN 14 -2.553 -9.872 5.825
96 HE22 GLN 14 HE22 GLN 14 -3.972 -10.789 5.982
97 H LEU 15 H LEU 15 0.868 -10.738 2.541
98 HA LEU 15 HA LEU 15 2.147 -13.390 2.612
99 HB2 LEU 15 HB3 LEU 15 1.069 -11.766 0.289
100 HB3 LEU 15 HB2 LEU 15 1.616 -13.441 0.192
101 HG LEU 15 HG LEU 15 -0.667 -12.420 1.902
102 HD11 LEU 15 HD11 LEU 15 -2.037 -13.826 0.359
103 HD12 LEU 15 HD12 LEU 15 -0.595 -14.110 -0.616
104 HD13 LEU 15 HD13 LEU 15 -1.255 -12.481 -0.468
105 HD21 LEU 15 HD21 LEU 15 0.811 -15.005 1.724
106 HD22 LEU 15 HD22 LEU 15 -0.940 -15.090 1.909
107 HD23 LEU 15 HD23 LEU 15 0.034 -14.251 3.115
108 H GLY 16 H GLY 16 3.164 -10.209 2.423
109 HA2 GLY 16 HA3 GLY 16 5.495 -9.608 2.324
110 HA3 GLY 16 HA2 GLY 16 5.809 -11.084 1.419
111 H HIS 17 H HIS 17 3.066 -9.402 0.241
112 HA HIS 17 HA HIS 17 4.163 -8.989 -2.331
113 HB2 HIS 17 HB3 HIS 17 1.877 -7.611 -0.909
114 HB3 HIS 17 HB2 HIS 17 2.296 -7.259 -2.587
115 HD2 HIS 17 HD2 HIS 17 2.389 -10.939 -1.175
116 HE1 HIS 17 HE1 HIS 17 -0.686 -10.700 -4.056
117 HE2 HIS 17 HE2 HIS 17 0.605 -12.269 -2.536
118 H CYS 18 H CYS 18 4.273 -6.904 0.521
119 HA CYS 18 HA CYS 18 5.359 -4.632 -0.953
120 HB2 CYS 18 HB3 CYS 18 4.868 -5.319 1.911
121 HB3 CYS 18 HB2 CYS 18 6.099 -4.103 1.572
122 H GLN 19 H GLN 19 6.613 -7.275 1.021
123 HA GLN 19 HA GLN 19 9.377 -6.463 0.868
124 HB2 GLN 19 HB3 GLN 19 8.398 -8.059 2.570
125 HB3 GLN 19 HB2 GLN 19 8.281 -9.258 1.284
126 HG2 GLN 19 HG3 GLN 19 10.717 -9.080 0.901
127 HG3 GLN 19 HG2 GLN 19 10.830 -7.900 2.208
128 HE21 GLN 19 HE21 GLN 19 12.311 -10.249 2.486
129 HE22 GLN 19 HE22 GLN 19 11.610 -11.241 3.671
130 H TYR 20 H TYR 20 7.218 -8.384 -1.111
131 HA TYR 20 HA TYR 20 9.452 -9.126 -2.922
132 HB2 TYR 20 HB3 TYR 20 6.564 -10.038 -2.833
133 HB3 TYR 20 HB2 TYR 20 7.784 -10.649 -3.949
134 HD1 TYR 20 HD2 TYR 20 10.128 -11.218 -2.603
135 HD2 TYR 20 HD1 TYR 20 6.145 -11.411 -1.005
136 HE1 TYR 20 HE2 TYR 20 10.899 -12.825 -0.881
137 HE2 TYR 20 HE1 TYR 20 6.917 -13.019 0.717
138 HH TYR 20 HH TYR 20 10.113 -13.518 1.466
139 H SER 21 H SER 21 6.199 -7.622 -3.085
140 HA SER 21 HA SER 21 7.109 -6.315 -5.620
141 HB2 SER 21 HB3 SER 21 5.298 -8.196 -5.736
142 HB3 SER 21 HB2 SER 21 4.221 -6.961 -5.094
143 HG SER 21 HG SER 21 5.909 -6.371 -7.263
144 HA PRO 22 HA PRO 22 5.656 -3.099 -2.581
145 HB2 PRO 22 HB3 PRO 22 7.923 -1.565 -2.671
146 HB3 PRO 22 HB2 PRO 22 7.668 -2.877 -1.507
147 HG2 PRO 22 HG3 PRO 22 9.322 -2.816 -3.955
148 HG3 PRO 22 HG2 PRO 22 9.563 -3.706 -2.445
149 HD2 PRO 22 HD3 PRO 22 8.597 -4.813 -4.814
150 HD3 PRO 22 HD2 PRO 22 8.394 -5.522 -3.199
151 H LYS 23 H LYS 23 6.965 -3.126 -5.776
152 HA LYS 23 HA LYS 23 6.743 -0.409 -6.531
153 HB2 LYS 23 HB3 LYS 23 6.264 -2.910 -8.173
154 HB3 LYS 23 HB2 LYS 23 6.457 -1.293 -8.848
155 HG2 LYS 23 HG3 LYS 23 8.689 -1.144 -7.721
156 HG3 LYS 23 HG2 LYS 23 8.499 -2.821 -7.214
157 HD2 LYS 23 HD3 LYS 23 8.264 -3.485 -9.606
158 HD3 LYS 23 HD2 LYS 23 8.562 -1.810 -10.072
159 HE2 LYS 23 HE3 LYS 23 10.458 -3.658 -8.598
160 HE3 LYS 23 HE2 LYS 23 10.664 -2.997 -10.221
161 HZ1 LYS 23 HZ1 LYS 23 10.923 -1.664 -7.621
162 HZ2 LYS 23 HZ2 LYS 23 10.396 -0.747 -8.951
163 HZ3 LYS 23 HZ3 LYS 23 11.900 -1.536 -9.001
164 H TYR 24 H TYR 24 4.221 -2.894 -6.252
165 HA TYR 24 HA TYR 24 2.248 -0.889 -7.249
166 HB2 TYR 24 HB3 TYR 24 1.782 -3.822 -6.659
167 HB3 TYR 24 HB2 TYR 24 0.733 -2.735 -7.569
168 HD1 TYR 24 HD2 TYR 24 3.865 -4.666 -7.621
169 HD2 TYR 24 HD1 TYR 24 1.302 -2.032 -9.844
170 HE1 TYR 24 HE2 TYR 24 5.098 -5.221 -9.700
171 HE2 TYR 24 HE1 TYR 24 2.536 -2.584 -11.923
172 HH TYR 24 HH TYR 24 5.078 -3.468 -12.369
173 H MET 25 H MET 25 3.390 -2.398 -4.365
174 HA MET 25 HA MET 25 0.920 -2.054 -2.847
175 HB2 MET 25 HB3 MET 25 3.781 -2.485 -1.955
176 HB3 MET 25 HB2 MET 25 2.394 -2.462 -0.877
177 HG2 MET 25 HG3 MET 25 2.753 -4.369 -3.206
178 HG3 MET 25 HG2 MET 25 3.032 -4.777 -1.513
179 HE1 MET 25 HE1 MET 25 1.257 -5.391 0.176
180 HE2 MET 25 HE2 MET 25 -0.349 -4.669 0.169
181 HE3 MET 25 HE3 MET 25 1.070 -3.635 0.218
182 H GLY 26 H GLY 26 3.977 -0.274 -3.204
183 HA2 GLY 26 HA3 GLY 26 3.426 1.757 -1.287
184 HA3 GLY 26 HA2 GLY 26 4.527 1.935 -2.651
185 H HIS 27 H HIS 27 2.299 1.258 -4.544
186 HA HIS 27 HA HIS 27 1.249 3.998 -4.764
187 HB2 HIS 27 HB3 HIS 27 2.125 2.766 -6.760
188 HB3 HIS 27 HB2 HIS 27 0.791 1.623 -6.590
189 HD2 HIS 27 HD2 HIS 27 -1.771 2.664 -7.288
190 HE1 HIS 27 HE1 HIS 27 -0.356 6.387 -8.691
191 HE2 HIS 27 HE2 HIS 27 -2.383 4.870 -8.540
192 H TYR 28 H TYR 28 0.256 1.038 -3.437
193 HA TYR 28 HA TYR 28 -2.586 1.977 -3.433
194 HB2 TYR 28 HB3 TYR 28 -1.410 -0.762 -3.787
195 HB3 TYR 28 HB2 TYR 28 -3.007 -0.586 -3.054
196 HD1 TYR 28 HD2 TYR 28 -0.994 0.009 -6.106
197 HD2 TYR 28 HD1 TYR 28 -4.904 0.195 -4.333
198 HE1 TYR 28 HE2 TYR 28 -1.995 0.349 -8.348
199 HE2 TYR 28 HE1 TYR 28 -5.902 0.538 -6.578
200 HH TYR 28 HH TYR 28 -4.898 1.556 -8.900
201 H CYS 29 H CYS 29 -0.310 -0.146 -1.666
202 HA CYS 29 HA CYS 29 -1.727 0.607 0.840
203 HB2 CYS 29 HB3 CYS 29 0.396 -1.509 0.603
204 HB3 CYS 29 HB2 CYS 29 -0.923 -1.390 1.768
205 H LYS 30 H LYS 30 -0.791 2.338 1.850
206 HA LYS 30 HA LYS 30 2.092 2.855 1.486
207 HB2 LYS 30 HB3 LYS 30 0.356 4.472 3.319
208 HB3 LYS 30 HB2 LYS 30 1.669 5.006 2.269
209 HG2 LYS 30 HG3 LYS 30 -1.085 4.103 1.376
210 HG3 LYS 30 HG2 LYS 30 -0.483 5.755 1.358
211 HD2 LYS 30 HD3 LYS 30 0.941 3.562 -0.149
212 HD3 LYS 30 HD2 LYS 30 -0.418 4.423 -0.863
213 HE2 LYS 30 HE3 LYS 30 2.184 5.622 0.119
214 HE3 LYS 30 HE2 LYS 30 1.608 5.544 -1.545
215 HZ1 LYS 30 HZ1 LYS 30 1.049 7.672 -0.906
216 HZ2 LYS 30 HZ2 LYS 30 0.630 7.215 0.674
217 HZ3 LYS 30 HZ3 LYS 30 -0.398 6.834 -0.625
218 H LYS 31 H LYS 31 -0.151 2.458 4.222
219 HA LYS 31 HA LYS 31 1.838 2.238 6.260
220 HB2 LYS 31 HB3 LYS 31 -0.992 1.195 6.037
221 HB3 LYS 31 HB2 LYS 31 -0.034 1.076 7.512
222 HG2 LYS 31 HG3 LYS 31 -0.140 3.331 7.928
223 HG3 LYS 31 HG2 LYS 31 -0.173 3.749 6.213
224 HD2 LYS 31 HD3 LYS 31 -2.349 4.260 6.951
225 HD3 LYS 31 HD2 LYS 31 -2.535 2.669 6.217
226 HE2 LYS 31 HE3 LYS 31 -2.088 3.161 9.174
227 HE3 LYS 31 HE2 LYS 31 -3.656 2.835 8.437
228 HZ1 LYS 31 HZ1 LYS 31 -3.161 0.706 8.785
229 HZ2 LYS 31 HZ2 LYS 31 -1.520 1.026 9.064
230 HZ3 LYS 31 HZ3 LYS 31 -2.094 0.846 7.475
231 H ALA 32 H ALA 32 0.011 -0.222 4.476
232 HA ALA 32 HA ALA 32 1.185 -2.502 5.657
233 HB1 ALA 32 HB1 ALA 32 0.638 -2.723 2.765
234 HB2 ALA 32 HB2 ALA 32 -0.696 -2.063 3.712
235 HB3 ALA 32 HB3 ALA 32 -0.034 -3.641 4.112
236 H CYS 33 H CYS 33 2.472 -0.194 3.415
237 HA CYS 33 HA CYS 33 4.814 -1.976 2.920
238 HB2 CYS 33 HB3 CYS 33 3.363 -0.146 1.246
239 HB3 CYS 33 HB2 CYS 33 5.017 0.423 1.424
240 H GLY 34 H GLY 34 6.884 -0.475 2.661
241 HA2 GLY 34 HA3 GLY 34 7.376 0.620 5.277
242 HA3 GLY 34 HA2 GLY 34 8.493 0.674 3.916
243 H LEU 35 H LEU 35 5.266 1.963 3.452
244 HA LEU 35 HA LEU 35 6.517 4.643 3.191
245 HB2 LEU 35 HB3 LEU 35 3.668 3.830 2.577
246 HB3 LEU 35 HB2 LEU 35 4.490 5.291 2.044
247 HG LEU 35 HG LEU 35 4.974 2.451 1.163
248 HD11 LEU 35 HD11 LEU 35 4.787 3.573 -1.084
249 HD12 LEU 35 HD12 LEU 35 4.349 5.055 -0.238
250 HD13 LEU 35 HD13 LEU 35 3.315 3.635 -0.118
251 HD21 LEU 35 HD21 LEU 35 7.187 3.236 1.540
252 HD22 LEU 35 HD22 LEU 35 6.795 4.855 0.958
253 HD23 LEU 35 HD23 LEU 35 6.893 3.506 -0.175
254 H CYS 36 H CYS 36 4.428 2.790 5.246
255 HA CYS 36 HA CYS 36 4.422 4.997 7.192
256 HB2 CYS 36 HB3 CYS 36 2.111 4.432 5.503
257 HB3 CYS 36 HB2 CYS 36 1.735 4.261 7.216
Start of MODEL 13
1 HA VAL 1 HA VAL 1 -1.168 11.612 4.895
2 HB VAL 1 HB VAL 1 -1.996 10.393 6.788
3 HG11 VAL 1 HG11 VAL 1 -3.088 12.161 7.694
4 HG12 VAL 1 HG12 VAL 1 -4.408 12.043 6.531
5 HG13 VAL 1 HG13 VAL 1 -2.932 12.908 6.103
6 HG21 VAL 1 HG21 VAL 1 -3.451 8.746 6.086
7 HG22 VAL 1 HG22 VAL 1 -4.246 9.801 4.916
8 HG23 VAL 1 HG23 VAL 1 -4.639 9.930 6.631
9 H CYS 2 H CYS 2 -1.103 8.918 5.761
10 HA CYS 2 HA CYS 2 -0.901 7.533 3.122
11 HB2 CYS 2 HB3 CYS 2 0.369 6.024 5.150
12 HB3 CYS 2 HB2 CYS 2 1.144 6.933 3.854
13 H GLU 3 H GLU 3 -2.173 5.740 2.766
14 HA GLU 3 HA GLU 3 -3.169 4.129 4.983
15 HB2 GLU 3 HB3 GLU 3 -5.471 4.634 4.854
16 HB3 GLU 3 HB2 GLU 3 -4.692 6.214 4.822
17 HG2 GLU 3 HG3 GLU 3 -4.793 6.155 2.317
18 HG3 GLU 3 HG2 GLU 3 -5.721 4.659 2.431
19 H ASP 4 H ASP 4 -4.368 2.234 4.201
20 HA ASP 4 HA ASP 4 -3.274 1.245 1.734
21 HB2 ASP 4 HB3 ASP 4 -4.699 -0.733 2.157
22 HB3 ASP 4 HB2 ASP 4 -3.772 -0.271 3.582
23 H LEU 5 H LEU 5 -4.035 1.535 -0.287
24 HA LEU 5 HA LEU 5 -6.571 2.912 -0.719
25 HB2 LEU 5 HB3 LEU 5 -4.583 1.681 -2.655
26 HB3 LEU 5 HB2 LEU 5 -5.996 2.616 -3.147
27 HG LEU 5 HG LEU 5 -3.723 3.622 -1.402
28 HD11 LEU 5 HD11 LEU 5 -4.003 3.423 -4.233
29 HD12 LEU 5 HD12 LEU 5 -2.723 4.232 -3.326
30 HD13 LEU 5 HD13 LEU 5 -4.167 5.125 -3.803
31 HD21 LEU 5 HD21 LEU 5 -5.462 4.938 -0.660
32 HD22 LEU 5 HD22 LEU 5 -6.415 4.678 -2.122
33 HD23 LEU 5 HD23 LEU 5 -5.079 5.829 -2.133
34 H ASN 6 H ASN 6 -5.343 -0.391 -1.072
35 HA ASN 6 HA ASN 6 -8.059 -1.269 -1.932
36 HB2 ASN 6 HB3 ASN 6 -5.862 -1.933 -3.170
37 HB3 ASN 6 HB2 ASN 6 -5.632 -3.049 -1.824
38 HD21 ASN 6 HD21 ASN 6 -6.296 -5.085 -2.547
39 HD22 ASN 6 HD22 ASN 6 -7.737 -5.389 -3.391
40 H ALA 7 H ALA 7 -9.234 -2.717 -0.656
41 HA ALA 7 HA ALA 7 -8.621 -2.798 2.163
42 HB1 ALA 7 HB1 ALA 7 -10.593 -4.561 0.684
43 HB2 ALA 7 HB2 ALA 7 -10.939 -2.891 1.138
44 HB3 ALA 7 HB3 ALA 7 -10.634 -4.099 2.385
45 H HIS 8 H HIS 8 -7.602 -4.721 -0.485
46 HA HIS 8 HA HIS 8 -7.097 -7.101 1.196
47 HB2 HIS 8 HB3 HIS 8 -6.452 -6.548 -1.714
48 HB3 HIS 8 HB2 HIS 8 -6.205 -8.089 -0.896
49 HD2 HIS 8 HD2 HIS 8 -9.362 -7.332 0.664
50 HE1 HIS 8 HE1 HIS 8 -10.601 -8.589 -3.172
51 HE2 HIS 8 HE2 HIS 8 -11.368 -8.138 -0.796
52 H CYS 9 H CYS 9 -5.601 -4.201 0.872
53 HA CYS 9 HA CYS 9 -2.913 -4.655 0.281
54 HB2 CYS 9 HB3 CYS 9 -4.283 -2.883 2.279
55 HB3 CYS 9 HB2 CYS 9 -2.522 -2.962 2.249
56 H GLU 10 H GLU 10 -4.538 -5.215 3.416
57 HA GLU 10 HA GLU 10 -2.218 -6.193 4.763
58 HB2 GLU 10 HB3 GLU 10 -4.386 -5.548 5.870
59 HB3 GLU 10 HB2 GLU 10 -5.083 -7.046 5.248
60 HG2 GLU 10 HG3 GLU 10 -3.305 -8.331 6.421
61 HG3 GLU 10 HG2 GLU 10 -2.691 -6.823 7.096
62 H MET 11 H MET 11 -4.682 -7.782 2.786
63 HA MET 11 HA MET 11 -3.843 -10.472 3.214
64 HB2 MET 11 HB3 MET 11 -5.138 -9.178 0.797
65 HB3 MET 11 HB2 MET 11 -4.973 -10.918 1.026
66 HG2 MET 11 HG3 MET 11 -6.248 -10.730 3.155
67 HG3 MET 11 HG2 MET 11 -6.479 -9.010 2.838
68 HE1 MET 11 HE1 MET 11 -9.460 -11.079 2.878
69 HE2 MET 11 HE2 MET 11 -9.828 -9.494 2.201
70 HE3 MET 11 HE3 MET 11 -8.610 -9.644 3.463
71 H TRP 12 H TRP 12 -2.657 -7.942 1.074
72 HA TRP 12 HA TRP 12 -0.846 -9.795 -0.321
73 HB2 TRP 12 HB3 TRP 12 -1.013 -6.778 -0.477
74 HB3 TRP 12 HB2 TRP 12 -0.195 -7.834 -1.612
75 HD1 TRP 12 HD1 TRP 12 -2.749 -10.005 -1.390
76 HE1 TRP 12 HE1 TRP 12 -4.797 -9.476 -2.863
77 HE3 TRP 12 HE3 TRP 12 -1.931 -5.045 -2.287
78 HZ2 TRP 12 HZ2 TRP 12 -5.938 -7.244 -4.240
79 HZ3 TRP 12 HZ3 TRP 12 -3.513 -3.743 -3.679
80 HH2 TRP 12 HH2 TRP 12 -5.513 -4.834 -4.656
81 H GLN 13 H GLN 13 -0.540 -7.059 1.969
82 HA GLN 13 HA GLN 13 2.323 -7.132 2.071
83 HB2 GLN 13 HB3 GLN 13 2.151 -5.574 3.801
84 HB3 GLN 13 HB2 GLN 13 0.633 -5.331 2.938
85 HG2 GLN 13 HG3 GLN 13 -0.112 -5.512 5.142
86 HG3 GLN 13 HG2 GLN 13 -0.270 -7.174 4.580
87 HE21 GLN 13 HE21 GLN 13 0.208 -8.301 6.528
88 HE22 GLN 13 HE22 GLN 13 1.681 -8.151 7.358
89 H GLN 14 H GLN 14 -0.186 -8.847 3.865
90 HA GLN 14 HA GLN 14 1.573 -9.958 5.843
91 HB2 GLN 14 HB3 GLN 14 -0.248 -11.311 6.479
92 HB3 GLN 14 HB2 GLN 14 -1.023 -9.883 5.794
93 HG2 GLN 14 HG3 GLN 14 -1.065 -11.138 3.575
94 HG3 GLN 14 HG2 GLN 14 -0.639 -12.581 4.495
95 HE21 GLN 14 HE21 GLN 14 -2.727 -9.968 5.731
96 HE22 GLN 14 HE22 GLN 14 -4.138 -10.906 5.811
97 H LEU 15 H LEU 15 0.858 -10.722 2.532
98 HA LEU 15 HA LEU 15 2.196 -13.346 2.664
99 HB2 LEU 15 HB3 LEU 15 1.089 -11.751 0.337
100 HB3 LEU 15 HB2 LEU 15 1.748 -13.383 0.210
101 HG LEU 15 HG LEU 15 -0.605 -12.570 1.937
102 HD11 LEU 15 HD11 LEU 15 -0.404 -14.018 -0.712
103 HD12 LEU 15 HD12 LEU 15 -1.268 -12.518 -0.375
104 HD13 LEU 15 HD13 LEU 15 -1.852 -14.044 0.294
105 HD21 LEU 15 HD21 LEU 15 1.014 -15.052 1.623
106 HD22 LEU 15 HD22 LEU 15 -0.732 -15.250 1.774
107 HD23 LEU 15 HD23 LEU 15 0.177 -14.433 3.046
108 H GLY 16 H GLY 16 3.134 -10.146 2.511
109 HA2 GLY 16 HA3 GLY 16 5.428 -9.444 2.431
110 HA3 GLY 16 HA2 GLY 16 5.831 -10.941 1.594
111 H HIS 17 H HIS 17 3.063 -9.431 0.275
112 HA HIS 17 HA HIS 17 4.186 -9.072 -2.282
113 HB2 HIS 17 HB3 HIS 17 1.862 -7.693 -0.929
114 HB3 HIS 17 HB2 HIS 17 2.290 -7.380 -2.612
115 HD2 HIS 17 HD2 HIS 17 2.486 -11.020 -1.132
116 HE1 HIS 17 HE1 HIS 17 -0.619 -10.922 -3.993
117 HE2 HIS 17 HE2 HIS 17 0.738 -12.428 -2.465
118 H CYS 18 H CYS 18 4.269 -6.969 0.526
119 HA CYS 18 HA CYS 18 5.288 -4.662 -0.931
120 HB2 CYS 18 HB3 CYS 18 4.841 -5.411 1.921
121 HB3 CYS 18 HB2 CYS 18 6.081 -4.197 1.609
122 H GLN 19 H GLN 19 6.641 -7.312 0.982
123 HA GLN 19 HA GLN 19 9.382 -6.420 0.738
124 HB2 GLN 19 HB3 GLN 19 8.488 -8.009 2.506
125 HB3 GLN 19 HB2 GLN 19 8.408 -9.243 1.248
126 HG2 GLN 19 HG3 GLN 19 10.846 -8.849 0.792
127 HG3 GLN 19 HG2 GLN 19 10.887 -7.767 2.184
128 HE21 GLN 19 HE21 GLN 19 8.649 -9.994 3.084
129 HE22 GLN 19 HE22 GLN 19 9.646 -11.135 3.850
130 H TYR 20 H TYR 20 7.235 -8.494 -1.116
131 HA TYR 20 HA TYR 20 9.443 -9.237 -2.945
132 HB2 TYR 20 HB3 TYR 20 6.546 -10.117 -2.842
133 HB3 TYR 20 HB2 TYR 20 7.756 -10.748 -3.960
134 HD1 TYR 20 HD2 TYR 20 10.034 -11.507 -2.764
135 HD2 TYR 20 HD1 TYR 20 6.192 -11.299 -0.862
136 HE1 TYR 20 HE2 TYR 20 10.809 -13.102 -1.031
137 HE2 TYR 20 HE1 TYR 20 6.963 -12.895 0.873
138 HH TYR 20 HH TYR 20 8.811 -13.870 1.774
139 H SER 21 H SER 21 6.197 -7.700 -3.150
140 HA SER 21 HA SER 21 7.167 -6.413 -5.675
141 HB2 SER 21 HB3 SER 21 5.298 -8.293 -5.744
142 HB3 SER 21 HB2 SER 21 4.254 -6.958 -5.272
143 HG SER 21 HG SER 21 4.281 -6.639 -7.370
144 HA PRO 22 HA PRO 22 5.703 -3.197 -2.623
145 HB2 PRO 22 HB3 PRO 22 7.963 -1.649 -2.746
146 HB3 PRO 22 HB2 PRO 22 7.738 -2.965 -1.579
147 HG2 PRO 22 HG3 PRO 22 9.317 -2.909 -4.086
148 HG3 PRO 22 HG2 PRO 22 9.640 -3.746 -2.559
149 HD2 PRO 22 HD3 PRO 22 8.646 -4.984 -4.823
150 HD3 PRO 22 HD2 PRO 22 8.421 -5.598 -3.171
151 H LYS 23 H LYS 23 6.935 -3.257 -5.839
152 HA LYS 23 HA LYS 23 6.723 -0.543 -6.617
153 HB2 LYS 23 HB3 LYS 23 6.172 -3.055 -8.222
154 HB3 LYS 23 HB2 LYS 23 6.385 -1.446 -8.914
155 HG2 LYS 23 HG3 LYS 23 8.647 -1.332 -7.884
156 HG3 LYS 23 HG2 LYS 23 8.434 -2.978 -7.289
157 HD2 LYS 23 HD3 LYS 23 8.092 -3.737 -9.650
158 HD3 LYS 23 HD2 LYS 23 8.459 -2.098 -10.189
159 HE2 LYS 23 HE3 LYS 23 10.588 -2.560 -8.567
160 HE3 LYS 23 HE2 LYS 23 10.275 -4.194 -9.149
161 HZ1 LYS 23 HZ1 LYS 23 11.627 -2.238 -10.487
162 HZ2 LYS 23 HZ2 LYS 23 10.101 -2.245 -11.232
163 HZ3 LYS 23 HZ3 LYS 23 11.022 -3.671 -11.161
164 H TYR 24 H TYR 24 4.204 -3.014 -6.258
165 HA TYR 24 HA TYR 24 2.207 -1.040 -7.263
166 HB2 TYR 24 HB3 TYR 24 1.815 -3.973 -6.598
167 HB3 TYR 24 HB2 TYR 24 0.691 -2.923 -7.464
168 HD1 TYR 24 HD2 TYR 24 3.899 -4.729 -7.647
169 HD2 TYR 24 HD1 TYR 24 1.106 -2.254 -9.768
170 HE1 TYR 24 HE2 TYR 24 5.049 -5.261 -9.778
171 HE2 TYR 24 HE1 TYR 24 2.257 -2.783 -11.901
172 HH TYR 24 HH TYR 24 5.312 -4.319 -12.005
173 H MET 25 H MET 25 3.368 -2.481 -4.339
174 HA MET 25 HA MET 25 0.898 -2.028 -2.832
175 HB2 MET 25 HB3 MET 25 3.736 -2.582 -1.918
176 HB3 MET 25 HB2 MET 25 2.333 -2.520 -0.860
177 HG2 MET 25 HG3 MET 25 2.528 -4.379 -3.242
178 HG3 MET 25 HG2 MET 25 2.986 -4.853 -1.608
179 HE1 MET 25 HE1 MET 25 0.865 -3.571 0.365
180 HE2 MET 25 HE2 MET 25 1.665 -5.136 0.265
181 HE3 MET 25 HE3 MET 25 -0.084 -5.059 0.428
182 H GLY 26 H GLY 26 4.029 -0.398 -3.233
183 HA2 GLY 26 HA3 GLY 26 3.593 1.672 -1.331
184 HA3 GLY 26 HA2 GLY 26 4.687 1.789 -2.711
185 H HIS 27 H HIS 27 2.398 1.179 -4.563
186 HA HIS 27 HA HIS 27 1.454 3.962 -4.797
187 HB2 HIS 27 HB3 HIS 27 2.310 2.684 -6.785
188 HB3 HIS 27 HB2 HIS 27 0.929 1.599 -6.625
189 HD2 HIS 27 HD2 HIS 27 -1.512 2.648 -7.570
190 HE1 HIS 27 HE1 HIS 27 -0.028 6.446 -8.667
191 HE2 HIS 27 HE2 HIS 27 -2.038 4.901 -8.774
192 H TYR 28 H TYR 28 0.377 1.033 -3.468
193 HA TYR 28 HA TYR 28 -2.440 2.034 -3.490
194 HB2 TYR 28 HB3 TYR 28 -1.320 -0.722 -3.831
195 HB3 TYR 28 HB2 TYR 28 -2.900 -0.524 -3.072
196 HD1 TYR 28 HD2 TYR 28 -0.928 0.111 -6.144
197 HD2 TYR 28 HD1 TYR 28 -4.820 0.181 -4.331
198 HE1 TYR 28 HE2 TYR 28 -1.962 0.453 -8.372
199 HE2 TYR 28 HE1 TYR 28 -5.854 0.520 -6.561
200 HH TYR 28 HH TYR 28 -4.664 1.647 -8.978
201 H CYS 29 H CYS 29 -0.137 0.000 -1.674
202 HA CYS 29 HA CYS 29 -1.629 0.728 0.797
203 HB2 CYS 29 HB3 CYS 29 0.496 -1.382 0.667
204 HB3 CYS 29 HB2 CYS 29 -0.911 -1.284 1.724
205 H LYS 30 H LYS 30 -0.729 2.455 1.807
206 HA LYS 30 HA LYS 30 2.159 2.965 1.520
207 HB2 LYS 30 HB3 LYS 30 0.442 4.615 3.320
208 HB3 LYS 30 HB2 LYS 30 1.707 5.127 2.206
209 HG2 LYS 30 HG3 LYS 30 -1.082 4.203 1.464
210 HG3 LYS 30 HG2 LYS 30 -0.455 5.843 1.338
211 HD2 LYS 30 HD3 LYS 30 0.886 3.564 -0.120
212 HD3 LYS 30 HD2 LYS 30 -0.502 4.392 -0.813
213 HE2 LYS 30 HE3 LYS 30 2.102 5.683 0.044
214 HE3 LYS 30 HE2 LYS 30 1.555 5.433 -1.614
215 HZ1 LYS 30 HZ1 LYS 30 1.009 7.591 0.046
216 HZ2 LYS 30 HZ2 LYS 30 -0.455 6.748 -0.141
217 HZ3 LYS 30 HZ3 LYS 30 0.392 7.299 -1.507
218 H LYS 31 H LYS 31 -0.166 2.555 4.201
219 HA LYS 31 HA LYS 31 1.809 2.324 6.264
220 HB2 LYS 31 HB3 LYS 31 -1.054 1.376 6.031
221 HB3 LYS 31 HB2 LYS 31 -0.105 1.186 7.504
222 HG2 LYS 31 HG3 LYS 31 0.020 3.487 7.884
223 HG3 LYS 31 HG2 LYS 31 -0.273 3.885 6.193
224 HD2 LYS 31 HD3 LYS 31 -2.367 4.346 6.950
225 HD3 LYS 31 HD2 LYS 31 -2.593 2.608 6.791
226 HE2 LYS 31 HE3 LYS 31 -1.968 2.302 9.155
227 HE3 LYS 31 HE2 LYS 31 -1.718 4.042 9.317
228 HZ1 LYS 31 HZ1 LYS 31 -3.869 3.707 10.082
229 HZ2 LYS 31 HZ2 LYS 31 -4.242 2.576 8.869
230 HZ3 LYS 31 HZ3 LYS 31 -4.107 4.226 8.484
231 H ALA 32 H ALA 32 -0.056 -0.135 4.480
232 HA ALA 32 HA ALA 32 1.065 -2.432 5.676
233 HB1 ALA 32 HB1 ALA 32 0.584 -2.576 2.756
234 HB2 ALA 32 HB2 ALA 32 -0.777 -2.012 3.729
235 HB3 ALA 32 HB3 ALA 32 -0.055 -3.585 4.050
236 H CYS 33 H CYS 33 2.426 -0.178 3.401
237 HA CYS 33 HA CYS 33 4.762 -1.987 3.001
238 HB2 CYS 33 HB3 CYS 33 3.341 -0.207 1.259
239 HB3 CYS 33 HB2 CYS 33 4.986 0.383 1.441
240 H GLY 34 H GLY 34 6.794 -0.290 2.607
241 HA2 GLY 34 HA3 GLY 34 7.196 0.822 5.277
242 HA3 GLY 34 HA2 GLY 34 8.393 0.777 3.985
243 H LEU 35 H LEU 35 5.175 2.174 3.467
244 HA LEU 35 HA LEU 35 6.550 4.765 2.982
245 HB2 LEU 35 HB3 LEU 35 3.660 4.057 2.462
246 HB3 LEU 35 HB2 LEU 35 4.552 5.426 1.806
247 HG LEU 35 HG LEU 35 4.883 2.499 1.157
248 HD11 LEU 35 HD11 LEU 35 4.232 5.011 -0.383
249 HD12 LEU 35 HD12 LEU 35 3.286 3.528 -0.255
250 HD13 LEU 35 HD13 LEU 35 4.778 3.543 -1.193
251 HD21 LEU 35 HD21 LEU 35 6.804 4.793 0.750
252 HD22 LEU 35 HD22 LEU 35 6.820 3.377 -0.301
253 HD23 LEU 35 HD23 LEU 35 7.133 3.197 1.426
254 H CYS 36 H CYS 36 4.357 3.214 5.192
255 HA CYS 36 HA CYS 36 4.554 5.461 7.032
256 HB2 CYS 36 HB3 CYS 36 2.431 5.478 5.142
257 HB3 CYS 36 HB2 CYS 36 1.726 5.093 6.713
Start of MODEL 14
1 HA VAL 1 HA VAL 1 -1.714 11.611 4.620
2 HB VAL 1 HB VAL 1 -3.982 12.438 3.946
3 HG11 VAL 1 HG11 VAL 1 -3.458 11.022 1.614
4 HG12 VAL 1 HG12 VAL 1 -5.020 11.694 2.080
5 HG13 VAL 1 HG13 VAL 1 -4.641 10.011 2.447
6 HG21 VAL 1 HG21 VAL 1 -4.616 9.622 4.334
7 HG22 VAL 1 HG22 VAL 1 -4.844 10.978 5.437
8 HG23 VAL 1 HG23 VAL 1 -3.295 10.135 5.384
9 H CYS 2 H CYS 2 -1.706 9.294 5.004
10 HA CYS 2 HA CYS 2 -1.051 7.675 2.578
11 HB2 CYS 2 HB3 CYS 2 0.829 6.719 3.622
12 HB3 CYS 2 HB2 CYS 2 0.939 8.417 4.082
13 H GLU 3 H GLU 3 -2.317 5.877 2.452
14 HA GLU 3 HA GLU 3 -3.027 4.358 4.821
15 HB2 GLU 3 HB3 GLU 3 -5.380 4.703 4.850
16 HB3 GLU 3 HB2 GLU 3 -4.669 6.314 4.800
17 HG2 GLU 3 HG3 GLU 3 -4.947 6.281 2.299
18 HG3 GLU 3 HG2 GLU 3 -5.830 4.763 2.471
19 H ASP 4 H ASP 4 -4.264 2.394 4.250
20 HA ASP 4 HA ASP 4 -3.318 1.220 1.820
21 HB2 ASP 4 HB3 ASP 4 -4.881 -0.644 2.390
22 HB3 ASP 4 HB2 ASP 4 -3.851 -0.174 3.742
23 H LEU 5 H LEU 5 -4.121 1.354 -0.203
24 HA LEU 5 HA LEU 5 -6.629 2.806 -0.678
25 HB2 LEU 5 HB3 LEU 5 -4.578 1.569 -2.535
26 HB3 LEU 5 HB2 LEU 5 -6.010 2.422 -3.104
27 HG LEU 5 HG LEU 5 -3.847 3.591 -1.323
28 HD11 LEU 5 HD11 LEU 5 -4.061 3.296 -4.183
29 HD12 LEU 5 HD12 LEU 5 -2.765 4.038 -3.245
30 HD13 LEU 5 HD13 LEU 5 -4.143 5.007 -3.761
31 HD21 LEU 5 HD21 LEU 5 -5.273 5.692 -2.298
32 HD22 LEU 5 HD22 LEU 5 -5.596 4.942 -0.738
33 HD23 LEU 5 HD23 LEU 5 -6.551 4.488 -2.149
34 H ASN 6 H ASN 6 -5.400 -0.500 -1.016
35 HA ASN 6 HA ASN 6 -8.109 -1.372 -1.894
36 HB2 ASN 6 HB3 ASN 6 -5.339 -2.463 -2.196
37 HB3 ASN 6 HB2 ASN 6 -6.694 -3.597 -2.208
38 HD21 ASN 6 HD21 ASN 6 -4.965 -2.836 -4.518
39 HD22 ASN 6 HD22 ASN 6 -6.002 -2.164 -5.682
40 H ALA 7 H ALA 7 -9.285 -2.841 -0.659
41 HA ALA 7 HA ALA 7 -8.770 -2.937 2.164
42 HB1 ALA 7 HB1 ALA 7 -11.010 -3.197 0.901
43 HB2 ALA 7 HB2 ALA 7 -10.752 -4.234 2.304
44 HB3 ALA 7 HB3 ALA 7 -10.539 -4.882 0.676
45 H HIS 8 H HIS 8 -7.848 -4.983 -0.507
46 HA HIS 8 HA HIS 8 -7.055 -7.223 1.224
47 HB2 HIS 8 HB3 HIS 8 -6.639 -6.668 -1.726
48 HB3 HIS 8 HB2 HIS 8 -6.137 -8.156 -0.920
49 HD2 HIS 8 HD2 HIS 8 -9.229 -7.771 0.882
50 HE1 HIS 8 HE1 HIS 8 -10.632 -9.192 -2.838
51 HE2 HIS 8 HE2 HIS 8 -11.245 -8.806 -0.407
52 H CYS 9 H CYS 9 -5.865 -4.295 1.072
53 HA CYS 9 HA CYS 9 -3.174 -4.382 0.278
54 HB2 CYS 9 HB3 CYS 9 -4.790 -2.834 2.197
55 HB3 CYS 9 HB2 CYS 9 -3.063 -2.869 2.554
56 H GLU 10 H GLU 10 -4.400 -4.920 3.579
57 HA GLU 10 HA GLU 10 -1.969 -5.921 4.640
58 HB2 GLU 10 HB3 GLU 10 -4.856 -6.369 5.404
59 HB3 GLU 10 HB2 GLU 10 -3.508 -6.968 6.369
60 HG2 GLU 10 HG3 GLU 10 -3.967 -4.063 5.614
61 HG3 GLU 10 HG2 GLU 10 -4.330 -4.771 7.189
62 H MET 11 H MET 11 -4.634 -7.522 2.960
63 HA MET 11 HA MET 11 -3.855 -10.214 3.456
64 HB2 MET 11 HB3 MET 11 -5.188 -9.002 1.012
65 HB3 MET 11 HB2 MET 11 -5.094 -10.730 1.352
66 HG2 MET 11 HG3 MET 11 -6.305 -10.337 3.501
67 HG3 MET 11 HG2 MET 11 -6.473 -8.639 3.062
68 HE1 MET 11 HE1 MET 11 -8.889 -10.335 3.837
69 HE2 MET 11 HE2 MET 11 -10.074 -9.923 2.597
70 HE3 MET 11 HE3 MET 11 -9.033 -8.667 3.264
71 H TRP 12 H TRP 12 -2.675 -7.783 1.220
72 HA TRP 12 HA TRP 12 -0.993 -9.705 -0.238
73 HB2 TRP 12 HB3 TRP 12 -1.059 -6.682 -0.375
74 HB3 TRP 12 HB2 TRP 12 -0.301 -7.766 -1.537
75 HD1 TRP 12 HD1 TRP 12 -3.003 -9.810 -1.106
76 HE1 TRP 12 HE1 TRP 12 -5.030 -9.239 -2.591
77 HE3 TRP 12 HE3 TRP 12 -1.857 -4.987 -2.347
78 HZ2 TRP 12 HZ2 TRP 12 -6.032 -7.025 -4.102
79 HZ3 TRP 12 HZ3 TRP 12 -3.367 -3.674 -3.805
80 HH2 TRP 12 HH2 TRP 12 -5.451 -4.686 -4.682
81 H GLN 13 H GLN 13 -0.507 -7.049 2.092
82 HA GLN 13 HA GLN 13 2.362 -7.193 2.021
83 HB2 GLN 13 HB3 GLN 13 2.333 -5.656 3.782
84 HB3 GLN 13 HB2 GLN 13 0.785 -5.350 2.993
85 HG2 GLN 13 HG3 GLN 13 0.145 -5.535 5.234
86 HG3 GLN 13 HG2 GLN 13 -0.113 -7.176 4.650
87 HE21 GLN 13 HE21 GLN 13 0.290 -8.050 6.836
88 HE22 GLN 13 HE22 GLN 13 1.865 -8.109 7.465
89 H GLN 14 H GLN 14 -0.107 -8.874 3.884
90 HA GLN 14 HA GLN 14 1.667 -10.052 5.803
91 HB2 GLN 14 HB3 GLN 14 -0.150 -11.444 6.397
92 HB3 GLN 14 HB2 GLN 14 -0.913 -9.963 5.818
93 HG2 GLN 14 HG3 GLN 14 -0.995 -11.088 3.523
94 HG3 GLN 14 HG2 GLN 14 -0.611 -12.589 4.364
95 HE21 GLN 14 HE21 GLN 14 -2.506 -10.173 6.062
96 HE22 GLN 14 HE22 GLN 14 -3.990 -10.991 5.968
97 H LEU 15 H LEU 15 0.762 -10.853 2.514
98 HA LEU 15 HA LEU 15 2.129 -13.451 2.570
99 HB2 LEU 15 HB3 LEU 15 1.025 -11.817 0.263
100 HB3 LEU 15 HB2 LEU 15 1.612 -13.476 0.141
101 HG LEU 15 HG LEU 15 -0.721 -12.519 1.828
102 HD11 LEU 15 HD11 LEU 15 -0.467 -13.955 -0.802
103 HD12 LEU 15 HD12 LEU 15 -1.571 -12.656 -0.347
104 HD13 LEU 15 HD13 LEU 15 -1.846 -14.293 0.244
105 HD21 LEU 15 HD21 LEU 15 0.167 -14.300 3.059
106 HD22 LEU 15 HD22 LEU 15 0.743 -15.134 1.617
107 HD23 LEU 15 HD23 LEU 15 -0.977 -15.121 2.001
108 H GLY 16 H GLY 16 3.082 -10.247 2.422
109 HA2 GLY 16 HA3 GLY 16 5.396 -9.596 2.353
110 HA3 GLY 16 HA2 GLY 16 5.759 -11.062 1.449
111 H HIS 17 H HIS 17 3.013 -9.432 0.218
112 HA HIS 17 HA HIS 17 4.083 -8.999 -2.336
113 HB2 HIS 17 HB3 HIS 17 1.851 -7.603 -0.863
114 HB3 HIS 17 HB2 HIS 17 2.260 -7.193 -2.531
115 HD2 HIS 17 HD2 HIS 17 2.287 -10.907 -1.196
116 HE1 HIS 17 HE1 HIS 17 -0.716 -10.564 -4.146
117 HE2 HIS 17 HE2 HIS 17 0.524 -12.181 -2.636
118 H CYS 18 H CYS 18 4.311 -6.926 0.513
119 HA CYS 18 HA CYS 18 5.401 -4.673 -0.977
120 HB2 CYS 18 HB3 CYS 18 5.002 -5.378 1.902
121 HB3 CYS 18 HB2 CYS 18 6.212 -4.149 1.519
122 H GLN 19 H GLN 19 6.662 -7.357 0.920
123 HA GLN 19 HA GLN 19 9.434 -6.583 0.680
124 HB2 GLN 19 HB3 GLN 19 8.470 -8.155 2.419
125 HB3 GLN 19 HB2 GLN 19 8.305 -9.356 1.136
126 HG2 GLN 19 HG3 GLN 19 10.739 -9.186 0.689
127 HG3 GLN 19 HG2 GLN 19 10.889 -8.048 2.029
128 HE21 GLN 19 HE21 GLN 19 8.532 -9.965 3.184
129 HE22 GLN 19 HE22 GLN 19 9.447 -11.182 3.931
130 H TYR 20 H TYR 20 7.189 -8.515 -1.203
131 HA TYR 20 HA TYR 20 9.357 -9.324 -3.050
132 HB2 TYR 20 HB3 TYR 20 6.427 -10.088 -2.918
133 HB3 TYR 20 HB2 TYR 20 7.570 -10.718 -4.102
134 HD1 TYR 20 HD1 TYR 20 9.857 -11.637 -2.995
135 HD2 TYR 20 HD2 TYR 20 6.063 -11.354 -0.998
136 HE1 TYR 20 HE1 TYR 20 10.585 -13.359 -1.362
137 HE2 TYR 20 HE2 TYR 20 6.793 -13.073 0.633
138 HH TYR 20 HH TYR 20 8.913 -13.970 1.530
139 H SER 21 H SER 21 6.198 -7.610 -3.168
140 HA SER 21 HA SER 21 7.218 -6.294 -5.651
141 HB2 SER 21 HB3 SER 21 5.365 -8.145 -5.874
142 HB3 SER 21 HB2 SER 21 4.291 -6.865 -5.317
143 HG SER 21 HG SER 21 6.136 -6.225 -7.301
144 HA PRO 22 HA PRO 22 5.730 -3.127 -2.569
145 HB2 PRO 22 HB3 PRO 22 8.021 -1.627 -2.564
146 HB3 PRO 22 HB2 PRO 22 7.727 -2.970 -1.445
147 HG2 PRO 22 HG3 PRO 22 9.408 -2.877 -3.882
148 HG3 PRO 22 HG2 PRO 22 9.647 -3.772 -2.376
149 HD2 PRO 22 HD3 PRO 22 8.709 -4.903 -4.723
150 HD3 PRO 22 HD2 PRO 22 8.426 -5.574 -3.101
151 H LYS 23 H LYS 23 7.036 -3.165 -5.737
152 HA LYS 23 HA LYS 23 6.892 -0.429 -6.459
153 HB2 LYS 23 HB3 LYS 23 6.387 -2.897 -8.143
154 HB3 LYS 23 HB2 LYS 23 6.619 -1.272 -8.786
155 HG2 LYS 23 HG3 LYS 23 8.843 -1.181 -7.666
156 HG3 LYS 23 HG2 LYS 23 8.613 -2.849 -7.142
157 HD2 LYS 23 HD3 LYS 23 8.363 -3.532 -9.525
158 HD3 LYS 23 HD2 LYS 23 8.709 -1.872 -10.010
159 HE2 LYS 23 HE3 LYS 23 10.560 -3.697 -8.443
160 HE3 LYS 23 HE2 LYS 23 10.754 -3.224 -10.130
161 HZ1 LYS 23 HZ1 LYS 23 11.747 -1.366 -9.492
162 HZ2 LYS 23 HZ2 LYS 23 11.663 -1.884 -7.876
163 HZ3 LYS 23 HZ3 LYS 23 10.422 -0.926 -8.530
164 H TYR 24 H TYR 24 4.312 -2.868 -6.219
165 HA TYR 24 HA TYR 24 2.399 -0.814 -7.243
166 HB2 TYR 24 HB3 TYR 24 1.863 -3.743 -6.679
167 HB3 TYR 24 HB2 TYR 24 0.854 -2.631 -7.604
168 HD1 TYR 24 HD1 TYR 24 1.501 -1.905 -9.859
169 HD2 TYR 24 HD2 TYR 24 3.921 -4.661 -7.620
170 HE1 TYR 24 HE1 TYR 24 2.747 -2.494 -11.924
171 HE2 TYR 24 HE2 TYR 24 5.163 -5.249 -9.683
172 HH TYR 24 HH TYR 24 4.362 -3.733 -12.809
173 H MET 25 H MET 25 3.431 -2.423 -4.365
174 HA MET 25 HA MET 25 0.965 -2.029 -2.865
175 HB2 MET 25 HB3 MET 25 3.812 -2.498 -1.936
176 HB3 MET 25 HB2 MET 25 2.401 -2.505 -0.888
177 HG2 MET 25 HG3 MET 25 2.747 -4.339 -3.277
178 HG3 MET 25 HG2 MET 25 3.105 -4.804 -1.614
179 HE1 MET 25 HE1 MET 25 1.578 -4.084 0.223
180 HE2 MET 25 HE2 MET 25 0.940 -5.721 0.119
181 HE3 MET 25 HE3 MET 25 -0.169 -4.356 0.229
182 H GLY 26 H GLY 26 4.044 -0.286 -3.200
183 HA2 GLY 26 HA3 GLY 26 3.509 1.750 -1.276
184 HA3 GLY 26 HA2 GLY 26 4.601 1.927 -2.652
185 H HIS 27 H HIS 27 2.403 1.216 -4.525
186 HA HIS 27 HA HIS 27 1.307 3.931 -4.790
187 HB2 HIS 27 HB3 HIS 27 2.223 2.674 -6.751
188 HB3 HIS 27 HB2 HIS 27 0.905 1.512 -6.570
189 HD2 HIS 27 HD2 HIS 27 -1.592 2.401 -7.502
190 HE1 HIS 27 HE1 HIS 27 -0.351 6.265 -8.658
191 HE2 HIS 27 HE2 HIS 27 -2.256 4.592 -8.748
192 H TYR 28 H TYR 28 0.351 0.967 -3.432
193 HA TYR 28 HA TYR 28 -2.504 1.852 -3.459
194 HB2 TYR 28 HB3 TYR 28 -1.268 -0.850 -3.803
195 HB3 TYR 28 HB2 TYR 28 -2.841 -0.728 -3.017
196 HD1 TYR 28 HD2 TYR 28 -0.962 -0.028 -6.130
197 HD2 TYR 28 HD1 TYR 28 -4.819 -0.093 -4.240
198 HE1 TYR 28 HE2 TYR 28 -2.048 0.240 -8.340
199 HE2 TYR 28 HE1 TYR 28 -5.905 0.173 -6.456
200 HH TYR 28 HH TYR 28 -5.586 0.207 -8.666
201 H CYS 29 H CYS 29 -0.145 -0.128 -1.643
202 HA CYS 29 HA CYS 29 -1.642 0.607 0.825
203 HB2 CYS 29 HB3 CYS 29 0.466 -1.535 0.589
204 HB3 CYS 29 HB2 CYS 29 -0.788 -1.363 1.815
205 H LYS 30 H LYS 30 -0.739 2.358 1.801
206 HA LYS 30 HA LYS 30 2.149 2.876 1.519
207 HB2 LYS 30 HB3 LYS 30 0.424 4.521 3.314
208 HB3 LYS 30 HB2 LYS 30 1.678 5.040 2.189
209 HG2 LYS 30 HG3 LYS 30 -1.088 4.049 1.438
210 HG3 LYS 30 HG2 LYS 30 -0.532 5.719 1.359
211 HD2 LYS 30 HD3 LYS 30 0.941 3.555 -0.130
212 HD3 LYS 30 HD2 LYS 30 -0.500 4.291 -0.820
213 HE2 LYS 30 HE3 LYS 30 2.023 5.728 0.033
214 HE3 LYS 30 HE2 LYS 30 1.454 5.492 -1.618
215 HZ1 LYS 30 HZ1 LYS 30 0.126 7.079 0.505
216 HZ2 LYS 30 HZ2 LYS 30 -0.557 6.752 -1.016
217 HZ3 LYS 30 HZ3 LYS 30 0.864 7.676 -0.898
218 H LYS 31 H LYS 31 -0.174 2.444 4.186
219 HA LYS 31 HA LYS 31 1.778 2.259 6.268
220 HB2 LYS 31 HB3 LYS 31 -1.030 1.163 6.000
221 HB3 LYS 31 HB2 LYS 31 -0.108 1.119 7.503
222 HG2 LYS 31 HG3 LYS 31 -0.141 3.436 7.750
223 HG3 LYS 31 HG2 LYS 31 -0.389 3.715 6.028
224 HD2 LYS 31 HD3 LYS 31 -2.509 4.163 6.848
225 HD3 LYS 31 HD2 LYS 31 -2.668 2.451 6.469
226 HE2 LYS 31 HE3 LYS 31 -1.667 2.323 9.005
227 HE3 LYS 31 HE2 LYS 31 -2.620 3.804 9.095
228 HZ1 LYS 31 HZ1 LYS 31 -4.555 2.702 8.681
229 HZ2 LYS 31 HZ2 LYS 31 -3.709 1.475 9.493
230 HZ3 LYS 31 HZ3 LYS 31 -3.807 1.463 7.796
231 H ALA 32 H ALA 32 -0.014 -0.243 4.493
232 HA ALA 32 HA ALA 32 1.178 -2.498 5.695
233 HB1 ALA 32 HB1 ALA 32 0.628 -2.710 2.795
234 HB2 ALA 32 HB2 ALA 32 -0.721 -2.163 3.792
235 HB3 ALA 32 HB3 ALA 32 0.054 -3.704 4.126
236 H CYS 33 H CYS 33 2.484 -0.244 3.408
237 HA CYS 33 HA CYS 33 4.817 -2.045 2.936
238 HB2 CYS 33 HB3 CYS 33 3.359 -0.255 1.254
239 HB3 CYS 33 HB2 CYS 33 4.989 0.378 1.434
240 H GLY 34 H GLY 34 6.841 -0.308 2.552
241 HA2 GLY 34 HA3 GLY 34 7.289 0.713 5.249
242 HA3 GLY 34 HA2 GLY 34 8.448 0.751 3.923
243 H LEU 35 H LEU 35 5.180 2.102 3.596
244 HA LEU 35 HA LEU 35 6.488 4.742 3.174
245 HB2 LEU 35 HB3 LEU 35 3.609 3.967 2.665
246 HB3 LEU 35 HB2 LEU 35 4.448 5.391 2.056
247 HG LEU 35 HG LEU 35 4.832 2.507 1.270
248 HD11 LEU 35 HD11 LEU 35 4.174 5.085 -0.144
249 HD12 LEU 35 HD12 LEU 35 3.257 3.583 -0.118
250 HD13 LEU 35 HD13 LEU 35 4.763 3.677 -1.024
251 HD21 LEU 35 HD21 LEU 35 7.077 3.208 1.606
252 HD22 LEU 35 HD22 LEU 35 6.752 4.822 0.969
253 HD23 LEU 35 HD23 LEU 35 6.784 3.433 -0.116
254 H CYS 36 H CYS 36 4.285 3.072 5.321
255 HA CYS 36 HA CYS 36 4.374 5.440 7.102
256 HB2 CYS 36 HB3 CYS 36 2.002 4.477 5.677
257 HB3 CYS 36 HB2 CYS 36 1.766 4.593 7.420
Start of MODEL 15
1 HA VAL 1 HA VAL 1 -2.010 11.546 3.880
2 HB VAL 1 HB VAL 1 -4.325 12.209 3.683
3 HG11 VAL 1 HG11 VAL 1 -5.821 11.304 2.027
4 HG12 VAL 1 HG12 VAL 1 -4.617 10.122 1.505
5 HG13 VAL 1 HG13 VAL 1 -4.372 11.838 1.173
6 HG21 VAL 1 HG21 VAL 1 -3.538 9.811 4.707
7 HG22 VAL 1 HG22 VAL 1 -4.737 9.273 3.532
8 HG23 VAL 1 HG23 VAL 1 -5.195 10.407 4.803
9 H CYS 2 H CYS 2 -1.190 9.524 4.261
10 HA CYS 2 HA CYS 2 -1.079 7.667 1.927
11 HB2 CYS 2 HB3 CYS 2 0.725 6.574 3.479
12 HB3 CYS 2 HB2 CYS 2 1.127 8.059 2.620
13 H GLU 3 H GLU 3 -2.328 5.873 2.029
14 HA GLU 3 HA GLU 3 -2.803 4.461 4.530
15 HB2 GLU 3 HB3 GLU 3 -5.149 4.811 4.732
16 HB3 GLU 3 HB2 GLU 3 -4.460 6.419 4.515
17 HG2 GLU 3 HG3 GLU 3 -4.937 6.234 2.062
18 HG3 GLU 3 HG2 GLU 3 -5.768 4.711 2.380
19 H ASP 4 H ASP 4 -4.015 2.431 4.128
20 HA ASP 4 HA ASP 4 -3.221 1.180 1.711
21 HB2 ASP 4 HB3 ASP 4 -4.721 -0.667 2.388
22 HB3 ASP 4 HB2 ASP 4 -3.702 -0.120 3.717
23 H LEU 5 H LEU 5 -4.024 1.366 -0.281
24 HA LEU 5 HA LEU 5 -6.553 2.750 -0.771
25 HB2 LEU 5 HB3 LEU 5 -4.560 1.400 -2.614
26 HB3 LEU 5 HB2 LEU 5 -5.980 2.278 -3.180
27 HG LEU 5 HG LEU 5 -3.733 3.433 -1.495
28 HD11 LEU 5 HD11 LEU 5 -3.945 3.014 -4.297
29 HD12 LEU 5 HD12 LEU 5 -2.721 3.946 -3.433
30 HD13 LEU 5 HD13 LEU 5 -4.181 4.739 -4.019
31 HD21 LEU 5 HD21 LEU 5 -5.479 4.793 -0.871
32 HD22 LEU 5 HD22 LEU 5 -6.429 4.409 -2.308
33 HD23 LEU 5 HD23 LEU 5 -5.102 5.569 -2.409
34 H ASN 6 H ASN 6 -5.341 -0.572 -0.969
35 HA ASN 6 HA ASN 6 -8.045 -1.491 -1.813
36 HB2 ASN 6 HB3 ASN 6 -5.277 -2.562 -2.063
37 HB3 ASN 6 HB2 ASN 6 -6.589 -3.734 -1.936
38 HD21 ASN 6 HD21 ASN 6 -4.802 -2.185 -4.223
39 HD22 ASN 6 HD22 ASN 6 -5.947 -2.076 -5.474
40 H ALA 7 H ALA 7 -9.253 -2.880 -0.530
41 HA ALA 7 HA ALA 7 -8.760 -2.915 2.305
42 HB1 ALA 7 HB1 ALA 7 -11.021 -3.111 1.191
43 HB2 ALA 7 HB2 ALA 7 -10.724 -4.317 2.446
44 HB3 ALA 7 HB3 ALA 7 -10.587 -4.763 0.745
45 H HIS 8 H HIS 8 -7.783 -4.968 -0.306
46 HA HIS 8 HA HIS 8 -7.124 -7.231 1.460
47 HB2 HIS 8 HB3 HIS 8 -6.613 -6.726 -1.489
48 HB3 HIS 8 HB2 HIS 8 -6.178 -8.214 -0.649
49 HD2 HIS 8 HD2 HIS 8 -9.326 -7.727 1.044
50 HE1 HIS 8 HE1 HIS 8 -10.611 -9.186 -2.706
51 HE2 HIS 8 HE2 HIS 8 -11.310 -8.750 -0.306
52 H CYS 9 H CYS 9 -5.797 -4.324 1.273
53 HA CYS 9 HA CYS 9 -3.096 -4.624 0.541
54 HB2 CYS 9 HB3 CYS 9 -4.562 -2.872 2.460
55 HB3 CYS 9 HB2 CYS 9 -2.803 -2.921 2.574
56 H GLU 10 H GLU 10 -4.639 -5.322 3.690
57 HA GLU 10 HA GLU 10 -2.221 -6.117 4.999
58 HB2 GLU 10 HB3 GLU 10 -4.447 -5.638 6.113
59 HB3 GLU 10 HB2 GLU 10 -4.992 -7.215 5.539
60 HG2 GLU 10 HG3 GLU 10 -4.167 -7.489 7.798
61 HG3 GLU 10 HG2 GLU 10 -3.009 -8.241 6.698
62 H MET 11 H MET 11 -4.601 -7.901 3.057
63 HA MET 11 HA MET 11 -3.474 -10.504 3.461
64 HB2 MET 11 HB3 MET 11 -4.993 -9.381 1.085
65 HB3 MET 11 HB2 MET 11 -4.658 -11.091 1.347
66 HG2 MET 11 HG3 MET 11 -5.864 -10.938 3.538
67 HG3 MET 11 HG2 MET 11 -6.299 -9.277 3.137
68 HE1 MET 11 HE1 MET 11 -7.784 -13.199 1.386
69 HE2 MET 11 HE2 MET 11 -6.483 -12.895 2.535
70 HE3 MET 11 HE3 MET 11 -6.202 -12.650 0.814
71 H TRP 12 H TRP 12 -2.813 -7.937 1.122
72 HA TRP 12 HA TRP 12 -0.910 -9.514 -0.387
73 HB2 TRP 12 HB3 TRP 12 -1.257 -6.513 -0.246
74 HB3 TRP 12 HB2 TRP 12 -0.376 -7.387 -1.489
75 HD1 TRP 12 HD1 TRP 12 -2.897 -9.723 -1.252
76 HE1 TRP 12 HE1 TRP 12 -4.960 -9.217 -2.712
77 HE3 TRP 12 HE3 TRP 12 -2.140 -4.760 -2.147
78 HZ2 TRP 12 HZ2 TRP 12 -6.134 -6.997 -4.081
79 HZ3 TRP 12 HZ3 TRP 12 -3.740 -3.472 -3.528
80 HH2 TRP 12 HH2 TRP 12 -5.735 -4.586 -4.499
81 H GLN 13 H GLN 13 -0.602 -7.034 2.151
82 HA GLN 13 HA GLN 13 2.280 -7.069 2.127
83 HB2 GLN 13 HB3 GLN 13 2.137 -5.554 3.877
84 HB3 GLN 13 HB2 GLN 13 0.549 -5.350 3.139
85 HG2 GLN 13 HG3 GLN 13 -0.012 -5.620 5.388
86 HG3 GLN 13 HG2 GLN 13 -0.163 -7.264 4.784
87 HE21 GLN 13 HE21 GLN 13 0.508 -8.454 6.625
88 HE22 GLN 13 HE22 GLN 13 2.030 -8.277 7.355
89 H GLN 14 H GLN 14 -0.193 -8.882 3.916
90 HA GLN 14 HA GLN 14 1.696 -10.122 5.709
91 HB2 GLN 14 HB3 GLN 14 -0.087 -11.390 6.499
92 HB3 GLN 14 HB2 GLN 14 -0.929 -9.991 5.845
93 HG2 GLN 14 HG3 GLN 14 -1.162 -11.296 3.677
94 HG3 GLN 14 HG2 GLN 14 -0.604 -12.713 4.569
95 HE21 GLN 14 HE21 GLN 14 -2.738 -10.053 5.702
96 HE22 GLN 14 HE22 GLN 14 -4.063 -11.055 6.054
97 H LEU 15 H LEU 15 0.591 -10.747 2.459
98 HA LEU 15 HA LEU 15 1.867 -13.384 2.320
99 HB2 LEU 15 HB3 LEU 15 0.680 -11.544 0.232
100 HB3 LEU 15 HB2 LEU 15 1.331 -13.146 -0.132
101 HG LEU 15 HG LEU 15 -0.837 -12.651 1.924
102 HD11 LEU 15 HD11 LEU 15 -2.210 -12.301 0.163
103 HD12 LEU 15 HD12 LEU 15 -1.956 -13.999 -0.239
104 HD13 LEU 15 HD13 LEU 15 -0.957 -12.753 -0.993
105 HD21 LEU 15 HD21 LEU 15 -1.158 -15.187 1.225
106 HD22 LEU 15 HD22 LEU 15 0.057 -14.734 2.422
107 HD23 LEU 15 HD23 LEU 15 0.535 -15.043 0.752
108 H GLY 16 H GLY 16 2.979 -10.230 2.361
109 HA2 GLY 16 HA3 GLY 16 5.280 -9.614 2.190
110 HA3 GLY 16 HA2 GLY 16 5.586 -11.097 1.295
111 H HIS 17 H HIS 17 2.891 -9.188 0.210
112 HA HIS 17 HA HIS 17 3.946 -8.885 -2.411
113 HB2 HIS 17 HB3 HIS 17 1.772 -7.404 -0.922
114 HB3 HIS 17 HB2 HIS 17 2.176 -7.034 -2.599
115 HD2 HIS 17 HD2 HIS 17 2.059 -10.762 -1.268
116 HE1 HIS 17 HE1 HIS 17 -1.013 -10.244 -4.120
117 HE2 HIS 17 HE2 HIS 17 0.192 -11.935 -2.662
118 H CYS 18 H CYS 18 4.320 -6.903 0.463
119 HA CYS 18 HA CYS 18 5.428 -4.606 -0.947
120 HB2 CYS 18 HB3 CYS 18 5.179 -5.481 1.906
121 HB3 CYS 18 HB2 CYS 18 6.380 -4.250 1.519
122 H GLN 19 H GLN 19 6.665 -7.439 0.729
123 HA GLN 19 HA GLN 19 9.458 -6.776 0.437
124 HB2 GLN 19 HB3 GLN 19 8.508 -8.430 2.091
125 HB3 GLN 19 HB2 GLN 19 8.201 -9.518 0.736
126 HG2 GLN 19 HG3 GLN 19 10.608 -9.456 0.154
127 HG3 GLN 19 HG2 GLN 19 10.904 -8.425 1.553
128 HE21 GLN 19 HE21 GLN 19 12.272 -10.795 1.610
129 HE22 GLN 19 HE22 GLN 19 11.561 -11.891 2.693
130 H TYR 20 H TYR 20 7.069 -8.472 -1.482
131 HA TYR 20 HA TYR 20 9.109 -9.251 -3.483
132 HB2 TYR 20 HB3 TYR 20 6.151 -9.880 -3.303
133 HB3 TYR 20 HB2 TYR 20 7.273 -10.566 -4.476
134 HD1 TYR 20 HD2 TYR 20 9.570 -11.445 -3.238
135 HD2 TYR 20 HD1 TYR 20 5.645 -11.268 -1.503
136 HE1 TYR 20 HE2 TYR 20 10.214 -13.190 -1.601
137 HE2 TYR 20 HE1 TYR 20 6.291 -13.011 0.137
138 HH TYR 20 HH TYR 20 8.424 -13.871 1.161
139 H SER 21 H SER 21 5.963 -7.515 -3.402
140 HA SER 21 HA SER 21 6.854 -6.117 -5.897
141 HB2 SER 21 HB3 SER 21 4.723 -7.781 -5.740
142 HB3 SER 21 HB2 SER 21 3.953 -6.263 -5.298
143 HG SER 21 HG SER 21 5.297 -5.501 -7.244
144 HA PRO 22 HA PRO 22 6.058 -2.989 -2.512
145 HB2 PRO 22 HB3 PRO 22 8.463 -1.683 -2.825
146 HB3 PRO 22 HB2 PRO 22 8.197 -3.006 -1.672
147 HG2 PRO 22 HG3 PRO 22 9.540 -3.039 -4.312
148 HG3 PRO 22 HG2 PRO 22 9.885 -3.977 -2.852
149 HD2 PRO 22 HD3 PRO 22 8.561 -4.986 -5.054
150 HD3 PRO 22 HD2 PRO 22 8.395 -5.633 -3.409
151 H LYS 23 H LYS 23 7.169 -2.935 -5.800
152 HA LYS 23 HA LYS 23 6.970 -0.167 -6.393
153 HB2 LYS 23 HB3 LYS 23 6.485 -2.592 -8.142
154 HB3 LYS 23 HB2 LYS 23 6.637 -0.942 -8.751
155 HG2 LYS 23 HG3 LYS 23 8.890 -0.794 -7.704
156 HG3 LYS 23 HG2 LYS 23 8.741 -2.480 -7.201
157 HD2 LYS 23 HD3 LYS 23 8.433 -3.118 -9.602
158 HD3 LYS 23 HD2 LYS 23 8.747 -1.438 -10.048
159 HE2 LYS 23 HE3 LYS 23 10.667 -3.123 -8.420
160 HE3 LYS 23 HE2 LYS 23 10.777 -2.936 -10.171
161 HZ1 LYS 23 HZ1 LYS 23 11.173 -0.653 -9.965
162 HZ2 LYS 23 HZ2 LYS 23 12.149 -1.367 -8.770
163 HZ3 LYS 23 HZ3 LYS 23 10.690 -0.612 -8.339
164 H TYR 24 H TYR 24 4.450 -2.669 -6.194
165 HA TYR 24 HA TYR 24 2.474 -0.588 -7.025
166 HB2 TYR 24 HB3 TYR 24 1.993 -3.557 -6.674
167 HB3 TYR 24 HB2 TYR 24 0.952 -2.389 -7.494
168 HD1 TYR 24 HD1 TYR 24 4.199 -4.164 -7.646
169 HD2 TYR 24 HD2 TYR 24 1.406 -1.666 -9.740
170 HE1 TYR 24 HE1 TYR 24 5.433 -4.555 -9.760
171 HE2 TYR 24 HE2 TYR 24 2.640 -2.056 -11.856
172 HH TYR 24 HH TYR 24 5.745 -3.545 -11.916
173 H MET 25 H MET 25 3.559 -2.455 -4.280
174 HA MET 25 HA MET 25 1.103 -2.135 -2.754
175 HB2 MET 25 HB3 MET 25 3.959 -2.612 -1.844
176 HB3 MET 25 HB2 MET 25 2.554 -2.644 -0.784
177 HG2 MET 25 HG3 MET 25 2.876 -4.412 -3.221
178 HG3 MET 25 HG2 MET 25 3.247 -4.918 -1.574
179 HE1 MET 25 HE1 MET 25 0.670 -5.664 0.258
180 HE2 MET 25 HE2 MET 25 0.240 -3.957 0.284
181 HE3 MET 25 HE3 MET 25 1.935 -4.432 0.232
182 H GLY 26 H GLY 26 4.181 -0.376 -2.989
183 HA2 GLY 26 HA3 GLY 26 3.557 1.630 -1.054
184 HA3 GLY 26 HA2 GLY 26 4.714 1.827 -2.373
185 H HIS 27 H HIS 27 2.593 1.128 -4.357
186 HA HIS 27 HA HIS 27 1.514 3.845 -4.655
187 HB2 HIS 27 HB3 HIS 27 2.478 2.559 -6.585
188 HB3 HIS 27 HB2 HIS 27 1.130 1.428 -6.442
189 HD2 HIS 27 HD2 HIS 27 -1.308 2.356 -7.485
190 HE1 HIS 27 HE1 HIS 27 0.051 6.196 -8.593
191 HE2 HIS 27 HE2 HIS 27 -1.880 4.562 -8.752
192 H TYR 28 H TYR 28 0.508 0.826 -3.405
193 HA TYR 28 HA TYR 28 -2.335 1.747 -3.459
194 HB2 TYR 28 HB3 TYR 28 -1.102 -0.952 -3.791
195 HB3 TYR 28 HB2 TYR 28 -2.680 -0.838 -3.006
196 HD1 TYR 28 HD2 TYR 28 -0.784 -0.094 -6.099
197 HD2 TYR 28 HD1 TYR 28 -4.648 -0.206 -4.226
198 HE1 TYR 28 HE2 TYR 28 -1.868 0.195 -8.311
199 HE2 TYR 28 HE1 TYR 28 -5.729 0.084 -6.438
200 HH TYR 28 HH TYR 28 -5.185 -0.323 -8.813
201 H CYS 29 H CYS 29 -0.110 -0.328 -1.579
202 HA CYS 29 HA CYS 29 -1.609 0.507 0.851
203 HB2 CYS 29 HB3 CYS 29 0.433 -1.703 0.726
204 HB3 CYS 29 HB2 CYS 29 -0.892 -1.493 1.867
205 H LYS 30 H LYS 30 -0.683 2.224 1.816
206 HA LYS 30 HA LYS 30 2.213 2.690 1.550
207 HB2 LYS 30 HB3 LYS 30 0.509 4.390 3.303
208 HB3 LYS 30 HB2 LYS 30 1.757 4.870 2.157
209 HG2 LYS 30 HG3 LYS 30 -1.012 3.865 1.419
210 HG3 LYS 30 HG2 LYS 30 -0.490 5.545 1.375
211 HD2 LYS 30 HD3 LYS 30 1.057 3.466 -0.154
212 HD3 LYS 30 HD2 LYS 30 -0.425 4.139 -0.830
213 HE2 LYS 30 HE3 LYS 30 2.008 5.710 0.064
214 HE3 LYS 30 HE2 LYS 30 1.479 5.452 -1.603
215 HZ1 LYS 30 HZ1 LYS 30 -0.714 6.429 -0.246
216 HZ2 LYS 30 HZ2 LYS 30 0.240 7.258 -1.383
217 HZ3 LYS 30 HZ3 LYS 30 0.590 7.380 0.276
218 H LYS 31 H LYS 31 -0.132 2.424 4.206
219 HA LYS 31 HA LYS 31 1.765 2.240 6.326
220 HB2 LYS 31 HB3 LYS 31 -1.057 1.195 6.019
221 HB3 LYS 31 HB2 LYS 31 -0.179 1.201 7.548
222 HG2 LYS 31 HG3 LYS 31 -0.109 3.552 7.640
223 HG3 LYS 31 HG2 LYS 31 -0.449 3.718 5.915
224 HD2 LYS 31 HD3 LYS 31 -2.551 4.177 6.707
225 HD3 LYS 31 HD2 LYS 31 -2.686 2.421 6.665
226 HE2 LYS 31 HE3 LYS 31 -1.855 4.060 9.075
227 HE3 LYS 31 HE2 LYS 31 -3.439 3.316 8.837
228 HZ1 LYS 31 HZ1 LYS 31 -1.745 1.264 8.406
229 HZ2 LYS 31 HZ2 LYS 31 -2.542 1.576 9.875
230 HZ3 LYS 31 HZ3 LYS 31 -0.948 2.117 9.638
231 H ALA 32 H ALA 32 -0.027 -0.277 4.582
232 HA ALA 32 HA ALA 32 1.096 -2.511 5.888
233 HB1 ALA 32 HB1 ALA 32 0.642 -2.824 2.985
234 HB2 ALA 32 HB2 ALA 32 -0.720 -2.149 3.881
235 HB3 ALA 32 HB3 ALA 32 -0.057 -3.711 4.339
236 H CYS 33 H CYS 33 2.485 -0.290 3.639
237 HA CYS 33 HA CYS 33 4.818 -2.102 3.218
238 HB2 CYS 33 HB3 CYS 33 3.429 -0.310 1.497
239 HB3 CYS 33 HB2 CYS 33 5.032 0.355 1.766
240 H GLY 34 H GLY 34 6.856 -0.392 2.879
241 HA2 GLY 34 HA3 GLY 34 7.225 0.655 5.583
242 HA3 GLY 34 HA2 GLY 34 8.445 0.629 4.311
243 H LEU 35 H LEU 35 5.248 2.033 3.722
244 HA LEU 35 HA LEU 35 6.605 4.632 3.276
245 HB2 LEU 35 HB3 LEU 35 3.703 3.913 2.783
246 HB3 LEU 35 HB2 LEU 35 4.564 5.319 2.168
247 HG LEU 35 HG LEU 35 4.945 2.422 1.415
248 HD11 LEU 35 HD11 LEU 35 4.785 3.550 -0.895
249 HD12 LEU 35 HD12 LEU 35 4.214 4.971 -0.024
250 HD13 LEU 35 HD13 LEU 35 3.308 3.465 0.058
251 HD21 LEU 35 HD21 LEU 35 6.827 3.405 -0.056
252 HD22 LEU 35 HD22 LEU 35 7.186 3.149 1.650
253 HD23 LEU 35 HD23 LEU 35 6.812 4.767 1.061
254 H CYS 36 H CYS 36 3.393 3.889 4.670
255 HA CYS 36 HA CYS 36 4.056 5.835 6.848
256 HB2 CYS 36 HB3 CYS 36 1.631 5.474 5.153
257 HB3 CYS 36 HB2 CYS 36 1.372 5.907 6.842
Start of MODEL 16
1 HA VAL 1 HA VAL 1 -1.241 11.098 5.450
2 HB VAL 1 HB VAL 1 -3.543 12.095 5.275
3 HG11 VAL 1 HG11 VAL 1 -5.192 11.139 3.878
4 HG12 VAL 1 HG12 VAL 1 -4.229 9.689 3.587
5 HG13 VAL 1 HG13 VAL 1 -3.763 11.220 2.844
6 HG21 VAL 1 HG21 VAL 1 -4.082 10.625 6.898
7 HG22 VAL 1 HG22 VAL 1 -2.721 9.623 6.391
8 HG23 VAL 1 HG23 VAL 1 -4.324 9.347 5.707
9 H CYS 2 H CYS 2 -0.946 8.867 5.655
10 HA CYS 2 HA CYS 2 -0.798 7.381 3.076
11 HB2 CYS 2 HB3 CYS 2 0.333 5.924 5.272
12 HB3 CYS 2 HB2 CYS 2 1.157 6.603 3.868
13 H GLU 3 H GLU 3 -2.170 5.674 2.732
14 HA GLU 3 HA GLU 3 -3.344 4.186 4.949
15 HB2 GLU 3 HB3 GLU 3 -5.613 4.831 4.686
16 HB3 GLU 3 HB2 GLU 3 -4.723 6.354 4.696
17 HG2 GLU 3 HG3 GLU 3 -4.664 6.228 2.169
18 HG3 GLU 3 HG2 GLU 3 -5.777 4.864 2.279
19 H ASP 4 H ASP 4 -4.487 2.295 4.183
20 HA ASP 4 HA ASP 4 -3.405 1.250 1.738
21 HB2 ASP 4 HB3 ASP 4 -4.900 -0.687 2.175
22 HB3 ASP 4 HB2 ASP 4 -3.955 -0.231 3.593
23 H LEU 5 H LEU 5 -4.124 1.548 -0.296
24 HA LEU 5 HA LEU 5 -6.656 2.910 -0.803
25 HB2 LEU 5 HB3 LEU 5 -4.641 1.617 -2.674
26 HB3 LEU 5 HB2 LEU 5 -6.031 2.560 -3.206
27 HG LEU 5 HG LEU 5 -3.770 3.572 -1.452
28 HD11 LEU 5 HD11 LEU 5 -4.147 5.047 -3.871
29 HD12 LEU 5 HD12 LEU 5 -4.045 3.337 -4.288
30 HD13 LEU 5 HD13 LEU 5 -2.741 4.102 -3.379
31 HD21 LEU 5 HD21 LEU 5 -6.426 4.677 -2.273
32 HD22 LEU 5 HD22 LEU 5 -5.061 5.790 -2.185
33 HD23 LEU 5 HD23 LEU 5 -5.552 4.880 -0.755
34 H ASN 6 H ASN 6 -5.365 -0.358 -1.072
35 HA ASN 6 HA ASN 6 -8.046 -1.346 -1.908
36 HB2 ASN 6 HB3 ASN 6 -5.250 -2.318 -2.227
37 HB3 ASN 6 HB2 ASN 6 -6.508 -3.543 -2.055
38 HD21 ASN 6 HD21 ASN 6 -4.870 -1.910 -4.410
39 HD22 ASN 6 HD22 ASN 6 -6.061 -1.859 -5.617
40 H ALA 7 H ALA 7 -9.232 -2.629 -0.534
41 HA ALA 7 HA ALA 7 -8.542 -2.712 2.261
42 HB1 ALA 7 HB1 ALA 7 -10.735 -3.781 0.547
43 HB2 ALA 7 HB2 ALA 7 -10.831 -2.820 2.022
44 HB3 ALA 7 HB3 ALA 7 -10.493 -4.549 2.115
45 H HIS 8 H HIS 8 -7.736 -4.699 -0.416
46 HA HIS 8 HA HIS 8 -7.211 -7.092 1.216
47 HB2 HIS 8 HB3 HIS 8 -6.573 -6.472 -1.687
48 HB3 HIS 8 HB2 HIS 8 -6.369 -8.044 -0.917
49 HD2 HIS 8 HD2 HIS 8 -9.526 -7.025 0.629
50 HE1 HIS 8 HE1 HIS 8 -10.777 -8.471 -3.134
51 HE2 HIS 8 HE2 HIS 8 -11.548 -7.817 -0.810
52 H CYS 9 H CYS 9 -5.720 -4.223 1.040
53 HA CYS 9 HA CYS 9 -3.031 -4.653 0.382
54 HB2 CYS 9 HB3 CYS 9 -4.421 -2.903 2.379
55 HB3 CYS 9 HB2 CYS 9 -2.661 -2.993 2.401
56 H GLU 10 H GLU 10 -4.677 -5.330 3.477
57 HA GLU 10 HA GLU 10 -2.350 -6.256 4.844
58 HB2 GLU 10 HB3 GLU 10 -4.544 -5.714 5.929
59 HB3 GLU 10 HB2 GLU 10 -5.199 -7.205 5.250
60 HG2 GLU 10 HG3 GLU 10 -3.423 -8.492 6.416
61 HG3 GLU 10 HG2 GLU 10 -2.837 -6.994 7.140
62 H MET 11 H MET 11 -4.707 -7.917 2.770
63 HA MET 11 HA MET 11 -3.663 -10.554 3.189
64 HB2 MET 11 HB3 MET 11 -5.176 -9.374 0.849
65 HB3 MET 11 HB2 MET 11 -4.783 -11.087 1.000
66 HG2 MET 11 HG3 MET 11 -5.907 -10.926 3.334
67 HG3 MET 11 HG2 MET 11 -6.595 -9.416 2.738
68 HE1 MET 11 HE1 MET 11 -6.859 -10.182 -0.461
69 HE2 MET 11 HE2 MET 11 -7.829 -9.151 0.588
70 HE3 MET 11 HE3 MET 11 -8.608 -10.420 -0.352
71 H TRP 12 H TRP 12 -2.707 -7.923 1.061
72 HA TRP 12 HA TRP 12 -0.826 -9.631 -0.419
73 HB2 TRP 12 HB3 TRP 12 -1.122 -6.619 -0.429
74 HB3 TRP 12 HB2 TRP 12 -0.243 -7.578 -1.608
75 HD1 TRP 12 HD1 TRP 12 -2.693 -9.879 -1.510
76 HE1 TRP 12 HE1 TRP 12 -4.755 -9.383 -2.973
77 HE3 TRP 12 HE3 TRP 12 -2.107 -4.854 -2.169
78 HZ2 TRP 12 HZ2 TRP 12 -5.994 -7.145 -4.259
79 HZ3 TRP 12 HZ3 TRP 12 -3.739 -3.562 -3.513
80 HH2 TRP 12 HH2 TRP 12 -5.681 -4.699 -4.557
81 H GLN 13 H GLN 13 -0.586 -6.979 1.965
82 HA GLN 13 HA GLN 13 2.279 -6.978 2.049
83 HB2 GLN 13 HB3 GLN 13 2.072 -5.499 3.857
84 HB3 GLN 13 HB2 GLN 13 0.563 -5.243 2.983
85 HG2 GLN 13 HG3 GLN 13 -0.191 -5.524 5.184
86 HG3 GLN 13 HG2 GLN 13 -0.352 -7.151 4.526
87 HE21 GLN 13 HE21 GLN 13 -0.038 -8.125 6.670
88 HE22 GLN 13 HE22 GLN 13 1.489 -8.139 7.409
89 H GLN 14 H GLN 14 -0.177 -8.778 3.848
90 HA GLN 14 HA GLN 14 1.603 -9.888 5.791
91 HB2 GLN 14 HB3 GLN 14 -0.173 -11.314 6.390
92 HB3 GLN 14 HB2 GLN 14 -0.989 -9.895 5.731
93 HG2 GLN 14 HG3 GLN 14 -1.007 -11.095 3.490
94 HG3 GLN 14 HG2 GLN 14 -0.503 -12.546 4.361
95 HE21 GLN 14 HE21 GLN 14 -2.748 -10.005 5.521
96 HE22 GLN 14 HE22 GLN 14 -4.090 -11.033 5.667
97 H LEU 15 H LEU 15 0.822 -10.794 2.486
98 HA LEU 15 HA LEU 15 2.290 -13.332 2.682
99 HB2 LEU 15 HB3 LEU 15 1.145 -11.853 0.300
100 HB3 LEU 15 HB2 LEU 15 1.856 -13.464 0.233
101 HG LEU 15 HG LEU 15 -0.536 -12.670 1.921
102 HD11 LEU 15 HD11 LEU 15 -0.204 -13.904 -0.786
103 HD12 LEU 15 HD12 LEU 15 -1.433 -12.778 -0.213
104 HD13 LEU 15 HD13 LEU 15 -1.518 -14.481 0.237
105 HD21 LEU 15 HD21 LEU 15 -0.553 -15.374 1.818
106 HD22 LEU 15 HD22 LEU 15 0.261 -14.476 3.099
107 HD23 LEU 15 HD23 LEU 15 1.186 -15.091 1.729
108 H GLY 16 H GLY 16 3.146 -10.107 2.412
109 HA2 GLY 16 HA3 GLY 16 5.462 -9.426 2.353
110 HA3 GLY 16 HA2 GLY 16 5.845 -10.903 1.476
111 H HIS 17 H HIS 17 3.058 -9.364 0.224
112 HA HIS 17 HA HIS 17 4.142 -8.956 -2.335
113 HB2 HIS 17 HB3 HIS 17 1.880 -7.523 -0.925
114 HB3 HIS 17 HB2 HIS 17 2.284 -7.225 -2.616
115 HD2 HIS 17 HD2 HIS 17 2.382 -10.876 -1.146
116 HE1 HIS 17 HE1 HIS 17 -0.782 -10.652 -3.932
117 HE2 HIS 17 HE2 HIS 17 0.549 -12.211 -2.438
118 H CYS 18 H CYS 18 4.285 -6.882 0.508
119 HA CYS 18 HA CYS 18 5.386 -4.598 -0.929
120 HB2 CYS 18 HB3 CYS 18 4.907 -5.355 1.917
121 HB3 CYS 18 HB2 CYS 18 6.176 -4.169 1.615
122 H GLN 19 H GLN 19 6.616 -7.300 0.974
123 HA GLN 19 HA GLN 19 9.396 -6.535 0.791
124 HB2 GLN 19 HB3 GLN 19 8.457 -8.075 2.527
125 HB3 GLN 19 HB2 GLN 19 8.192 -9.279 1.266
126 HG2 GLN 19 HG3 GLN 19 10.637 -9.174 0.727
127 HG3 GLN 19 HG2 GLN 19 10.856 -8.104 2.111
128 HE21 GLN 19 HE21 GLN 19 12.189 -10.579 2.108
129 HE22 GLN 19 HE22 GLN 19 11.480 -11.608 3.256
130 H TYR 20 H TYR 20 7.196 -8.465 -1.153
131 HA TYR 20 HA TYR 20 9.420 -9.245 -2.955
132 HB2 TYR 20 HB3 TYR 20 6.536 -10.150 -2.782
133 HB3 TYR 20 HB2 TYR 20 7.693 -10.743 -3.976
134 HD1 TYR 20 HD2 TYR 20 10.006 -11.567 -2.970
135 HD2 TYR 20 HD1 TYR 20 6.333 -11.305 -0.757
136 HE1 TYR 20 HE2 TYR 20 10.889 -13.189 -1.316
137 HE2 TYR 20 HE1 TYR 20 7.218 -12.928 0.902
138 HH TYR 20 HH TYR 20 8.915 -14.255 1.455
139 H SER 21 H SER 21 6.197 -7.667 -3.126
140 HA SER 21 HA SER 21 7.140 -6.425 -5.682
141 HB2 SER 21 HB3 SER 21 5.238 -8.273 -5.704
142 HB3 SER 21 HB2 SER 21 4.224 -6.916 -5.223
143 HG SER 21 HG SER 21 4.222 -6.576 -7.312
144 HA PRO 22 HA PRO 22 5.813 -3.176 -2.604
145 HB2 PRO 22 HB3 PRO 22 8.089 -1.674 -2.774
146 HB3 PRO 22 HB2 PRO 22 7.896 -3.016 -1.631
147 HG2 PRO 22 HG3 PRO 22 9.345 -2.931 -4.222
148 HG3 PRO 22 HG2 PRO 22 9.763 -3.768 -2.718
149 HD2 PRO 22 HD3 PRO 22 8.649 -5.024 -4.902
150 HD3 PRO 22 HD2 PRO 22 8.479 -5.611 -3.234
151 H LYS 23 H LYS 23 7.058 -3.198 -5.836
152 HA LYS 23 HA LYS 23 6.812 -0.482 -6.583
153 HB2 LYS 23 HB3 LYS 23 6.334 -2.998 -8.196
154 HB3 LYS 23 HB2 LYS 23 6.477 -1.384 -8.892
155 HG2 LYS 23 HG3 LYS 23 8.736 -1.159 -7.961
156 HG3 LYS 23 HG2 LYS 23 8.597 -2.750 -7.211
157 HD2 LYS 23 HD3 LYS 23 9.845 -2.907 -9.326
158 HD3 LYS 23 HD2 LYS 23 8.313 -3.774 -9.443
159 HE2 LYS 23 HE3 LYS 23 9.064 -2.089 -11.352
160 HE3 LYS 23 HE2 LYS 23 7.373 -2.205 -10.865
161 HZ1 LYS 23 HZ1 LYS 23 8.071 0.091 -10.947
162 HZ2 LYS 23 HZ2 LYS 23 9.348 -0.222 -9.871
163 HZ3 LYS 23 HZ3 LYS 23 7.738 -0.349 -9.343
164 H TYR 24 H TYR 24 4.303 -2.974 -6.262
165 HA TYR 24 HA TYR 24 2.312 -0.992 -7.263
166 HB2 TYR 24 HB3 TYR 24 1.865 -3.923 -6.651
167 HB3 TYR 24 HB2 TYR 24 0.828 -2.852 -7.594
168 HD1 TYR 24 HD1 TYR 24 1.504 -2.092 -9.841
169 HD2 TYR 24 HD2 TYR 24 3.907 -4.840 -7.577
170 HE1 TYR 24 HE1 TYR 24 2.788 -2.656 -11.886
171 HE2 TYR 24 HE2 TYR 24 5.189 -5.405 -9.621
172 HH TYR 24 HH TYR 24 5.693 -4.095 -11.892
173 H MET 25 H MET 25 3.441 -2.504 -4.367
174 HA MET 25 HA MET 25 0.968 -2.124 -2.861
175 HB2 MET 25 HB3 MET 25 3.827 -2.629 -1.996
176 HB3 MET 25 HB2 MET 25 2.472 -2.518 -0.879
177 HG2 MET 25 HG3 MET 25 2.647 -4.479 -3.186
178 HG3 MET 25 HG2 MET 25 3.005 -4.876 -1.506
179 HE1 MET 25 HE1 MET 25 1.438 -5.245 0.301
180 HE2 MET 25 HE2 MET 25 -0.248 -4.738 0.363
181 HE3 MET 25 HE3 MET 25 1.025 -3.528 0.304
182 H GLY 26 H GLY 26 4.034 -0.384 -3.256
183 HA2 GLY 26 HA3 GLY 26 3.521 1.669 -1.351
184 HA3 GLY 26 HA2 GLY 26 4.619 1.820 -2.724
185 H HIS 27 H HIS 27 2.400 1.163 -4.621
186 HA HIS 27 HA HIS 27 1.355 3.909 -4.828
187 HB2 HIS 27 HB3 HIS 27 2.278 2.676 -6.820
188 HB3 HIS 27 HB2 HIS 27 0.906 1.574 -6.703
189 HD2 HIS 27 HD2 HIS 27 -1.530 2.609 -7.657
190 HE1 HIS 27 HE1 HIS 27 -0.104 6.473 -8.593
191 HE2 HIS 27 HE2 HIS 27 -2.087 4.901 -8.769
192 H TYR 28 H TYR 28 0.356 0.993 -3.459
193 HA TYR 28 HA TYR 28 -2.490 1.902 -3.551
194 HB2 TYR 28 HB3 TYR 28 -1.305 -0.825 -3.903
195 HB3 TYR 28 HB2 TYR 28 -2.889 -0.677 -3.137
196 HD1 TYR 28 HD2 TYR 28 -0.949 -0.033 -6.220
197 HD2 TYR 28 HD1 TYR 28 -4.822 0.085 -4.366
198 HE1 TYR 28 HE2 TYR 28 -2.002 0.301 -8.439
199 HE2 TYR 28 HE1 TYR 28 -5.876 0.421 -6.587
200 HH TYR 28 HH TYR 28 -5.314 -0.060 -8.975
201 H CYS 29 H CYS 29 -0.199 -0.126 -1.693
202 HA CYS 29 HA CYS 29 -1.733 0.604 0.751
203 HB2 CYS 29 HB3 CYS 29 0.457 -1.452 0.592
204 HB3 CYS 29 HB2 CYS 29 -0.868 -1.345 1.750
205 H LYS 30 H LYS 30 -0.896 2.379 1.752
206 HA LYS 30 HA LYS 30 1.979 2.987 1.486
207 HB2 LYS 30 HB3 LYS 30 0.140 4.568 3.241
208 HB3 LYS 30 HB2 LYS 30 1.454 5.126 2.209
209 HG2 LYS 30 HG3 LYS 30 -1.256 4.130 1.293
210 HG3 LYS 30 HG2 LYS 30 -0.678 5.791 1.223
211 HD2 LYS 30 HD3 LYS 30 0.685 3.498 -0.222
212 HD3 LYS 30 HD2 LYS 30 -0.548 4.512 -0.965
213 HE2 LYS 30 HE3 LYS 30 2.083 5.486 0.185
214 HE3 LYS 30 HE2 LYS 30 1.684 5.353 -1.524
215 HZ1 LYS 30 HZ1 LYS 30 1.006 7.451 -1.303
216 HZ2 LYS 30 HZ2 LYS 30 0.913 7.361 0.390
217 HZ3 LYS 30 HZ3 LYS 30 -0.372 6.794 -0.566
218 H LYS 31 H LYS 31 -0.334 2.567 4.189
219 HA LYS 31 HA LYS 31 1.664 2.437 6.231
220 HB2 LYS 31 HB3 LYS 31 -1.184 1.475 6.032
221 HB3 LYS 31 HB2 LYS 31 -0.225 1.215 7.488
222 HG2 LYS 31 HG3 LYS 31 -0.071 3.490 7.962
223 HG3 LYS 31 HG2 LYS 31 -0.337 3.960 6.284
224 HD2 LYS 31 HD3 LYS 31 -2.461 4.387 6.931
225 HD3 LYS 31 HD2 LYS 31 -2.680 2.639 6.909
226 HE2 LYS 31 HE3 LYS 31 -2.049 2.517 9.284
227 HE3 LYS 31 HE2 LYS 31 -1.790 4.263 9.311
228 HZ1 LYS 31 HZ1 LYS 31 -3.933 4.517 9.729
229 HZ2 LYS 31 HZ2 LYS 31 -4.197 2.841 9.619
230 HZ3 LYS 31 HZ3 LYS 31 -4.310 3.816 8.232
231 H ALA 32 H ALA 32 -0.063 -0.110 4.460
232 HA ALA 32 HA ALA 32 1.092 -2.334 5.771
233 HB1 ALA 32 HB1 ALA 32 0.000 -3.566 4.202
234 HB2 ALA 32 HB2 ALA 32 0.622 -2.606 2.862
235 HB3 ALA 32 HB3 ALA 32 -0.748 -2.023 3.808
236 H CYS 33 H CYS 33 2.501 -0.102 3.529
237 HA CYS 33 HA CYS 33 4.806 -1.952 3.118
238 HB2 CYS 33 HB3 CYS 33 3.432 -0.159 1.376
239 HB3 CYS 33 HB2 CYS 33 5.056 0.469 1.617
240 H GLY 34 H GLY 34 6.894 -0.335 2.796
241 HA2 GLY 34 HA3 GLY 34 7.350 0.712 5.469
242 HA3 GLY 34 HA2 GLY 34 8.510 0.730 4.144
243 H LEU 35 H LEU 35 5.566 2.030 3.145
244 HA LEU 35 HA LEU 35 6.712 4.686 2.904
245 HB2 LEU 35 HB3 LEU 35 3.813 3.876 2.549
246 HB3 LEU 35 HB2 LEU 35 4.595 5.319 1.904
247 HG LEU 35 HG LEU 35 5.010 2.446 1.098
248 HD11 LEU 35 HD11 LEU 35 3.296 3.512 -0.153
249 HD12 LEU 35 HD12 LEU 35 4.727 3.563 -1.183
250 HD13 LEU 35 HD13 LEU 35 4.225 5.003 -0.298
251 HD21 LEU 35 HD21 LEU 35 6.827 4.822 0.674
252 HD22 LEU 35 HD22 LEU 35 6.837 3.430 -0.409
253 HD23 LEU 35 HD23 LEU 35 7.249 3.224 1.293
254 H CYS 36 H CYS 36 4.279 3.217 5.031
255 HA CYS 36 HA CYS 36 4.715 5.411 6.954
256 HB2 CYS 36 HB3 CYS 36 2.402 5.250 5.208
257 HB3 CYS 36 HB2 CYS 36 1.923 5.168 6.902
Start of MODEL 17
1 HA VAL 1 HA VAL 1 -2.066 11.018 5.040
2 HB VAL 1 HB VAL 1 -2.130 12.924 3.462
3 HG11 VAL 1 HG11 VAL 1 -1.360 11.291 1.132
4 HG12 VAL 1 HG12 VAL 1 -0.025 11.643 2.229
5 HG13 VAL 1 HG13 VAL 1 -0.949 12.965 1.519
6 HG21 VAL 1 HG21 VAL 1 -3.787 10.833 3.468
7 HG22 VAL 1 HG22 VAL 1 -3.129 10.607 1.846
8 HG23 VAL 1 HG23 VAL 1 -3.942 12.114 2.269
9 H CYS 2 H CYS 2 -0.732 8.927 5.489
10 HA CYS 2 HA CYS 2 -0.518 7.318 2.988
11 HB2 CYS 2 HB3 CYS 2 0.526 5.911 5.231
12 HB3 CYS 2 HB2 CYS 2 1.409 6.560 3.849
13 H GLU 3 H GLU 3 -1.942 5.637 2.721
14 HA GLU 3 HA GLU 3 -3.142 4.285 5.001
15 HB2 GLU 3 HB3 GLU 3 -5.377 5.007 4.800
16 HB3 GLU 3 HB2 GLU 3 -4.441 6.498 4.663
17 HG2 GLU 3 HG3 GLU 3 -4.517 6.245 2.161
18 HG3 GLU 3 HG2 GLU 3 -5.616 4.883 2.377
19 H ASP 4 H ASP 4 -4.427 2.437 4.335
20 HA ASP 4 HA ASP 4 -3.388 1.239 1.939
21 HB2 ASP 4 HB3 ASP 4 -4.901 -0.642 2.499
22 HB3 ASP 4 HB2 ASP 4 -3.949 -0.119 3.885
23 H LEU 5 H LEU 5 -4.240 1.173 -0.090
24 HA LEU 5 HA LEU 5 -6.780 2.667 -0.539
25 HB2 LEU 5 HB3 LEU 5 -4.597 1.793 -2.455
26 HB3 LEU 5 HB2 LEU 5 -6.021 2.729 -2.910
27 HG LEU 5 HG LEU 5 -3.988 3.617 -0.844
28 HD11 LEU 5 HD11 LEU 5 -3.949 3.701 -3.758
29 HD12 LEU 5 HD12 LEU 5 -2.674 4.107 -2.609
30 HD13 LEU 5 HD13 LEU 5 -3.875 5.317 -3.056
31 HD21 LEU 5 HD21 LEU 5 -5.256 5.844 -1.763
32 HD22 LEU 5 HD22 LEU 5 -5.754 4.955 -0.325
33 HD23 LEU 5 HD23 LEU 5 -6.561 4.660 -1.863
34 H ASN 6 H ASN 6 -5.312 -0.491 -0.844
35 HA ASN 6 HA ASN 6 -7.734 -1.493 -2.266
36 HB2 ASN 6 HB3 ASN 6 -5.381 -2.007 -3.130
37 HB3 ASN 6 HB2 ASN 6 -5.182 -3.019 -1.701
38 HD21 ASN 6 HD21 ASN 6 -7.119 -2.650 -4.681
39 HD22 ASN 6 HD22 ASN 6 -7.668 -4.255 -4.714
40 H ALA 7 H ALA 7 -9.111 -2.925 -1.216
41 HA ALA 7 HA ALA 7 -9.020 -3.076 1.646
42 HB1 ALA 7 HB1 ALA 7 -11.066 -4.084 1.467
43 HB2 ALA 7 HB2 ALA 7 -10.513 -5.201 0.218
44 HB3 ALA 7 HB3 ALA 7 -10.956 -3.549 -0.211
45 H HIS 8 H HIS 8 -7.638 -5.045 -0.876
46 HA HIS 8 HA HIS 8 -7.059 -7.266 0.989
47 HB2 HIS 8 HB3 HIS 8 -6.327 -6.828 -1.923
48 HB3 HIS 8 HB2 HIS 8 -5.927 -8.277 -1.013
49 HD2 HIS 8 HD2 HIS 8 -9.167 -7.937 0.448
50 HE1 HIS 8 HE1 HIS 8 -10.188 -9.310 -3.414
51 HE2 HIS 8 HE2 HIS 8 -11.026 -8.993 -1.040
52 H CYS 9 H CYS 9 -5.859 -4.316 0.870
53 HA CYS 9 HA CYS 9 -3.111 -4.423 0.335
54 HB2 CYS 9 HB3 CYS 9 -4.806 -2.868 2.244
55 HB3 CYS 9 HB2 CYS 9 -3.056 -2.809 2.463
56 H GLU 10 H GLU 10 -4.656 -5.101 3.510
57 HA GLU 10 HA GLU 10 -2.270 -6.014 4.789
58 HB2 GLU 10 HB3 GLU 10 -4.449 -5.462 5.949
59 HB3 GLU 10 HB2 GLU 10 -5.094 -6.985 5.338
60 HG2 GLU 10 HG3 GLU 10 -3.241 -8.197 6.480
61 HG3 GLU 10 HG2 GLU 10 -2.681 -6.663 7.147
62 H MET 11 H MET 11 -4.714 -7.667 2.852
63 HA MET 11 HA MET 11 -3.799 -10.325 3.276
64 HB2 MET 11 HB3 MET 11 -5.118 -9.130 0.827
65 HB3 MET 11 HB2 MET 11 -4.966 -10.852 1.156
66 HG2 MET 11 HG3 MET 11 -6.466 -8.834 2.855
67 HG3 MET 11 HG2 MET 11 -7.184 -10.077 1.830
68 HE1 MET 11 HE1 MET 11 -6.445 -13.371 3.368
69 HE2 MET 11 HE2 MET 11 -5.134 -12.663 2.432
70 HE3 MET 11 HE3 MET 11 -6.803 -12.398 1.935
71 H TRP 12 H TRP 12 -2.671 -7.775 1.156
72 HA TRP 12 HA TRP 12 -0.895 -9.607 -0.302
73 HB2 TRP 12 HB3 TRP 12 -1.125 -6.589 -0.404
74 HB3 TRP 12 HB2 TRP 12 -0.199 -7.580 -1.520
75 HD1 TRP 12 HD1 TRP 12 -2.747 -9.834 -1.354
76 HE1 TRP 12 HE1 TRP 12 -4.705 -9.375 -2.968
77 HE3 TRP 12 HE3 TRP 12 -1.895 -4.920 -2.353
78 HZ2 TRP 12 HZ2 TRP 12 -5.773 -7.174 -4.496
79 HZ3 TRP 12 HZ3 TRP 12 -3.381 -3.659 -3.873
80 HH2 TRP 12 HH2 TRP 12 -5.319 -4.778 -4.949
81 H GLN 13 H GLN 13 -0.516 -6.959 2.058
82 HA GLN 13 HA GLN 13 2.354 -7.050 2.072
83 HB2 GLN 13 HB3 GLN 13 2.224 -5.535 3.853
84 HB3 GLN 13 HB2 GLN 13 0.711 -5.249 2.996
85 HG2 GLN 13 HG3 GLN 13 -0.027 -5.450 5.208
86 HG3 GLN 13 HG2 GLN 13 -0.241 -7.091 4.604
87 HE21 GLN 13 HE21 GLN 13 0.110 -8.110 6.670
88 HE22 GLN 13 HE22 GLN 13 1.622 -8.100 7.442
89 H GLN 14 H GLN 14 -0.156 -8.760 3.863
90 HA GLN 14 HA GLN 14 1.563 -9.903 5.843
91 HB2 GLN 14 HB3 GLN 14 -0.269 -11.320 6.393
92 HB3 GLN 14 HB2 GLN 14 -1.006 -9.825 5.815
93 HG2 GLN 14 HG3 GLN 14 -1.099 -10.911 3.515
94 HG3 GLN 14 HG2 GLN 14 -0.681 -12.428 4.312
95 HE21 GLN 14 HE21 GLN 14 -2.754 -9.892 5.747
96 HE22 GLN 14 HE22 GLN 14 -4.172 -10.822 5.751
97 H LEU 15 H LEU 15 0.849 -10.732 2.536
98 HA LEU 15 HA LEU 15 2.218 -13.327 2.732
99 HB2 LEU 15 HB3 LEU 15 1.111 -11.773 0.377
100 HB3 LEU 15 HB2 LEU 15 1.767 -13.408 0.275
101 HG LEU 15 HG LEU 15 -0.587 -12.551 1.989
102 HD11 LEU 15 HD11 LEU 15 -0.337 -13.508 -0.778
103 HD12 LEU 15 HD12 LEU 15 -1.704 -12.732 0.022
104 HD13 LEU 15 HD13 LEU 15 -1.448 -14.468 0.199
105 HD21 LEU 15 HD21 LEU 15 0.231 -14.392 3.143
106 HD22 LEU 15 HD22 LEU 15 0.996 -15.075 1.707
107 HD23 LEU 15 HD23 LEU 15 -0.746 -15.220 1.928
108 H GLY 16 H GLY 16 3.145 -10.111 2.504
109 HA2 GLY 16 HA3 GLY 16 5.454 -9.419 2.430
110 HA3 GLY 16 HA2 GLY 16 5.848 -10.916 1.588
111 H HIS 17 H HIS 17 3.085 -9.275 0.346
112 HA HIS 17 HA HIS 17 4.141 -8.948 -2.249
113 HB2 HIS 17 HB3 HIS 17 1.911 -7.550 -0.778
114 HB3 HIS 17 HB2 HIS 17 2.323 -7.108 -2.436
115 HD2 HIS 17 HD2 HIS 17 2.251 -10.836 -1.118
116 HE1 HIS 17 HE1 HIS 17 -0.651 -10.419 -4.155
117 HE2 HIS 17 HE2 HIS 17 0.484 -12.064 -2.591
118 H CYS 18 H CYS 18 4.415 -6.845 0.577
119 HA CYS 18 HA CYS 18 5.502 -4.612 -0.961
120 HB2 CYS 18 HB3 CYS 18 5.149 -5.264 1.941
121 HB3 CYS 18 HB2 CYS 18 6.330 -4.028 1.504
122 H GLN 19 H GLN 19 6.754 -7.271 0.982
123 HA GLN 19 HA GLN 19 9.529 -6.524 0.730
124 HB2 GLN 19 HB3 GLN 19 8.530 -8.102 2.460
125 HB3 GLN 19 HB2 GLN 19 8.419 -9.304 1.176
126 HG2 GLN 19 HG3 GLN 19 10.848 -9.141 0.798
127 HG3 GLN 19 HG2 GLN 19 10.972 -7.940 2.086
128 HE21 GLN 19 HE21 GLN 19 12.432 -10.330 2.317
129 HE22 GLN 19 HE22 GLN 19 11.754 -11.300 3.535
130 H TYR 20 H TYR 20 7.284 -8.431 -1.143
131 HA TYR 20 HA TYR 20 9.414 -9.277 -3.020
132 HB2 TYR 20 HB3 TYR 20 6.475 -9.977 -2.868
133 HB3 TYR 20 HB2 TYR 20 7.641 -10.712 -3.968
134 HD1 TYR 20 HD1 TYR 20 9.964 -11.369 -2.555
135 HD2 TYR 20 HD2 TYR 20 5.945 -11.303 -1.043
136 HE1 TYR 20 HE1 TYR 20 10.608 -12.964 -0.762
137 HE2 TYR 20 HE2 TYR 20 6.590 -12.895 0.744
138 HH TYR 20 HH TYR 20 8.185 -14.172 1.573
139 H SER 21 H SER 21 6.213 -7.640 -3.149
140 HA SER 21 HA SER 21 7.177 -6.297 -5.645
141 HB2 SER 21 HB3 SER 21 5.397 -8.196 -5.875
142 HB3 SER 21 HB2 SER 21 4.278 -6.984 -5.260
143 HG SER 21 HG SER 21 5.403 -7.229 -7.712
144 HA PRO 22 HA PRO 22 5.600 -3.150 -2.592
145 HB2 PRO 22 HB3 PRO 22 7.837 -1.578 -2.619
146 HB3 PRO 22 HB2 PRO 22 7.620 -2.935 -1.497
147 HG2 PRO 22 HG3 PRO 22 9.238 -2.771 -3.977
148 HG3 PRO 22 HG2 PRO 22 9.549 -3.646 -2.468
149 HD2 PRO 22 HD3 PRO 22 8.603 -4.837 -4.785
150 HD3 PRO 22 HD2 PRO 22 8.383 -5.506 -3.154
151 H LYS 23 H LYS 23 6.774 -3.272 -5.768
152 HA LYS 23 HA LYS 23 6.629 -0.552 -6.577
153 HB2 LYS 23 HB3 LYS 23 7.573 -2.401 -7.962
154 HB3 LYS 23 HB2 LYS 23 5.934 -2.993 -8.230
155 HG2 LYS 23 HG3 LYS 23 5.316 -0.814 -9.221
156 HG3 LYS 23 HG2 LYS 23 6.973 -0.250 -8.994
157 HD2 LYS 23 HD3 LYS 23 7.772 -2.134 -10.415
158 HD3 LYS 23 HD2 LYS 23 6.096 -2.593 -10.708
159 HE2 LYS 23 HE3 LYS 23 5.776 -0.905 -12.204
160 HE3 LYS 23 HE2 LYS 23 6.660 0.258 -11.211
161 HZ1 LYS 23 HZ1 LYS 23 7.740 -1.721 -13.127
162 HZ2 LYS 23 HZ2 LYS 23 8.721 -1.015 -11.933
163 HZ3 LYS 23 HZ3 LYS 23 7.970 -0.040 -13.107
164 H TYR 24 H TYR 24 4.092 -2.994 -6.155
165 HA TYR 24 HA TYR 24 2.092 -1.005 -7.138
166 HB2 TYR 24 HB3 TYR 24 1.679 -3.934 -6.480
167 HB3 TYR 24 HB2 TYR 24 0.570 -2.876 -7.355
168 HD1 TYR 24 HD1 TYR 24 1.097 -2.109 -9.640
169 HD2 TYR 24 HD2 TYR 24 3.655 -4.837 -7.534
170 HE1 TYR 24 HE1 TYR 24 2.238 -2.673 -11.764
171 HE2 TYR 24 HE2 TYR 24 4.797 -5.406 -9.654
172 HH TYR 24 HH TYR 24 3.583 -4.436 -12.724
173 H MET 25 H MET 25 3.304 -2.467 -4.262
174 HA MET 25 HA MET 25 0.851 -2.085 -2.735
175 HB2 MET 25 HB3 MET 25 3.704 -2.524 -1.810
176 HB3 MET 25 HB2 MET 25 2.279 -2.568 -0.775
177 HG2 MET 25 HG3 MET 25 2.626 -4.358 -3.195
178 HG3 MET 25 HG2 MET 25 3.084 -4.840 -1.563
179 HE1 MET 25 HE1 MET 25 0.313 -3.628 0.326
180 HE2 MET 25 HE2 MET 25 1.837 -4.507 0.307
181 HE3 MET 25 HE3 MET 25 0.324 -5.387 0.459
182 H GLY 26 H GLY 26 3.944 -0.363 -3.129
183 HA2 GLY 26 HA3 GLY 26 3.380 1.729 -1.266
184 HA3 GLY 26 HA2 GLY 26 4.519 1.854 -2.609
185 H HIS 27 H HIS 27 2.274 1.094 -4.486
186 HA HIS 27 HA HIS 27 1.282 3.840 -4.894
187 HB2 HIS 27 HB3 HIS 27 2.172 2.447 -6.780
188 HB3 HIS 27 HB2 HIS 27 0.807 1.354 -6.557
189 HD2 HIS 27 HD2 HIS 27 -1.785 2.604 -7.107
190 HE1 HIS 27 HE1 HIS 27 -0.109 5.818 -9.264
191 HE2 HIS 27 HE2 HIS 27 -2.268 4.623 -8.681
192 H TYR 28 H TYR 28 0.221 0.989 -3.375
193 HA TYR 28 HA TYR 28 -2.586 2.015 -3.457
194 HB2 TYR 28 HB3 TYR 28 -1.532 -0.767 -3.773
195 HB3 TYR 28 HB2 TYR 28 -3.105 -0.529 -3.012
196 HD1 TYR 28 HD2 TYR 28 -1.146 -0.093 -6.106
197 HD2 TYR 28 HD1 TYR 28 -4.991 0.352 -4.249
198 HE1 TYR 28 HE2 TYR 28 -2.185 0.232 -8.333
199 HE2 TYR 28 HE1 TYR 28 -6.030 0.677 -6.477
200 HH TYR 28 HH TYR 28 -4.038 0.804 -9.418
201 H CYS 29 H CYS 29 -0.329 -0.031 -1.606
202 HA CYS 29 HA CYS 29 -1.805 0.794 0.846
203 HB2 CYS 29 HB3 CYS 29 0.216 -1.424 0.727
204 HB3 CYS 29 HB2 CYS 29 -1.151 -1.233 1.823
205 H LYS 30 H LYS 30 -0.817 2.521 1.793
206 HA LYS 30 HA LYS 30 2.096 2.903 1.499
207 HB2 LYS 30 HB3 LYS 30 0.409 4.644 3.253
208 HB3 LYS 30 HB2 LYS 30 1.736 5.092 2.184
209 HG2 LYS 30 HG3 LYS 30 -1.056 4.266 1.331
210 HG3 LYS 30 HG2 LYS 30 -0.382 5.889 1.237
211 HD2 LYS 30 HD3 LYS 30 0.970 3.583 -0.165
212 HD3 LYS 30 HD2 LYS 30 -0.380 4.426 -0.916
213 HE2 LYS 30 HE3 LYS 30 1.874 6.055 0.208
214 HE3 LYS 30 HE2 LYS 30 2.107 5.238 -1.331
215 HZ1 LYS 30 HZ1 LYS 30 -0.112 6.283 -1.971
216 HZ2 LYS 30 HZ2 LYS 30 1.248 7.300 -1.904
217 HZ3 LYS 30 HZ3 LYS 30 0.116 7.308 -0.638
218 H LYS 31 H LYS 31 -0.211 2.634 4.230
219 HA LYS 31 HA LYS 31 1.790 2.396 6.252
220 HB2 LYS 31 HB3 LYS 31 -1.080 1.490 6.047
221 HB3 LYS 31 HB2 LYS 31 -0.117 1.231 7.506
222 HG2 LYS 31 HG3 LYS 31 0.093 3.514 7.938
223 HG3 LYS 31 HG2 LYS 31 -0.194 3.957 6.257
224 HD2 LYS 31 HD3 LYS 31 -2.276 4.470 6.995
225 HD3 LYS 31 HD2 LYS 31 -2.552 2.731 6.879
226 HE2 LYS 31 HE3 LYS 31 -1.804 4.330 9.332
227 HE3 LYS 31 HE2 LYS 31 -3.239 3.335 9.081
228 HZ1 LYS 31 HZ1 LYS 31 -1.743 1.402 8.892
229 HZ2 LYS 31 HZ2 LYS 31 -1.699 2.139 10.421
230 HZ3 LYS 31 HZ3 LYS 31 -0.437 2.398 9.310
231 H ALA 32 H ALA 32 -0.067 -0.062 4.487
232 HA ALA 32 HA ALA 32 1.068 -2.351 5.676
233 HB1 ALA 32 HB1 ALA 32 -0.001 -3.539 4.025
234 HB2 ALA 32 HB2 ALA 32 0.516 -2.441 2.749
235 HB3 ALA 32 HB3 ALA 32 -0.824 -2.002 3.810
236 H CYS 33 H CYS 33 2.493 -0.078 3.472
237 HA CYS 33 HA CYS 33 4.764 -1.961 3.006
238 HB2 CYS 33 HB3 CYS 33 3.398 -0.130 1.301
239 HB3 CYS 33 HB2 CYS 33 5.028 0.485 1.537
240 H GLY 34 H GLY 34 6.867 -0.329 2.673
241 HA2 GLY 34 HA3 GLY 34 7.321 0.652 5.384
242 HA3 GLY 34 HA2 GLY 34 8.503 0.647 4.076
243 H LEU 35 H LEU 35 5.542 2.040 3.152
244 HA LEU 35 HA LEU 35 6.785 4.671 2.927
245 HB2 LEU 35 HB3 LEU 35 3.857 3.976 2.548
246 HB3 LEU 35 HB2 LEU 35 4.712 5.380 1.912
247 HG LEU 35 HG LEU 35 5.006 2.495 1.101
248 HD11 LEU 35 HD11 LEU 35 4.332 5.076 -0.318
249 HD12 LEU 35 HD12 LEU 35 3.319 3.647 -0.135
250 HD13 LEU 35 HD13 LEU 35 4.741 3.594 -1.177
251 HD21 LEU 35 HD21 LEU 35 6.902 4.807 0.690
252 HD22 LEU 35 HD22 LEU 35 6.866 3.422 -0.403
253 HD23 LEU 35 HD23 LEU 35 7.266 3.192 1.299
254 H CYS 36 H CYS 36 4.393 3.142 5.037
255 HA CYS 36 HA CYS 36 4.837 5.275 7.018
256 HB2 CYS 36 HB3 CYS 36 2.523 5.208 5.272
257 HB3 CYS 36 HB2 CYS 36 2.039 5.053 6.958
Start of MODEL 18
1 HA VAL 1 HA VAL 1 -1.482 11.565 4.550
2 HB VAL 1 HB VAL 1 -3.319 12.696 3.283
3 HG11 VAL 1 HG11 VAL 1 -3.400 10.383 1.391
4 HG12 VAL 1 HG12 VAL 1 -2.238 11.668 1.060
5 HG13 VAL 1 HG13 VAL 1 -3.958 12.041 1.161
6 HG21 VAL 1 HG21 VAL 1 -3.775 10.853 4.891
7 HG22 VAL 1 HG22 VAL 1 -3.636 9.689 3.572
8 HG23 VAL 1 HG23 VAL 1 -4.943 10.872 3.570
9 H CYS 2 H CYS 2 -1.546 9.310 4.825
10 HA CYS 2 HA CYS 2 -0.750 7.634 2.493
11 HB2 CYS 2 HB3 CYS 2 0.943 6.490 3.841
12 HB3 CYS 2 HB2 CYS 2 1.293 8.218 3.812
13 H GLU 3 H GLU 3 -2.094 5.887 2.380
14 HA GLU 3 HA GLU 3 -2.968 4.480 4.771
15 HB2 GLU 3 HB3 GLU 3 -5.300 4.951 4.680
16 HB3 GLU 3 HB2 GLU 3 -4.507 6.524 4.579
17 HG2 GLU 3 HG3 GLU 3 -4.673 6.388 2.082
18 HG3 GLU 3 HG2 GLU 3 -5.609 4.905 2.266
19 H ASP 4 H ASP 4 -4.227 2.530 4.203
20 HA ASP 4 HA ASP 4 -3.257 1.271 1.834
21 HB2 ASP 4 HB3 ASP 4 -4.831 -0.539 2.381
22 HB3 ASP 4 HB2 ASP 4 -3.980 0.003 3.826
23 H LEU 5 H LEU 5 -4.247 0.915 -0.173
24 HA LEU 5 HA LEU 5 -6.628 2.637 -0.707
25 HB2 LEU 5 HB3 LEU 5 -4.514 1.514 -2.571
26 HB3 LEU 5 HB2 LEU 5 -5.917 2.438 -3.105
27 HG LEU 5 HG LEU 5 -3.789 3.436 -1.184
28 HD11 LEU 5 HD11 LEU 5 -2.633 4.008 -3.032
29 HD12 LEU 5 HD12 LEU 5 -3.996 4.998 -3.551
30 HD13 LEU 5 HD13 LEU 5 -3.891 3.313 -4.055
31 HD21 LEU 5 HD21 LEU 5 -5.596 4.730 -0.577
32 HD22 LEU 5 HD22 LEU 5 -6.429 4.465 -2.110
33 HD23 LEU 5 HD23 LEU 5 -5.112 5.635 -2.011
34 H ASN 6 H ASN 6 -5.353 -0.637 -0.956
35 HA ASN 6 HA ASN 6 -7.945 -1.531 -2.130
36 HB2 ASN 6 HB3 ASN 6 -5.665 -2.206 -3.141
37 HB3 ASN 6 HB2 ASN 6 -5.508 -3.263 -1.738
38 HD21 ASN 6 HD21 ASN 6 -6.528 -5.271 -1.878
39 HD22 ASN 6 HD22 ASN 6 -7.677 -5.693 -3.053
40 H ALA 7 H ALA 7 -9.221 -3.046 -1.024
41 HA ALA 7 HA ALA 7 -9.036 -3.052 1.846
42 HB1 ALA 7 HB1 ALA 7 -10.591 -5.235 0.613
43 HB2 ALA 7 HB2 ALA 7 -11.013 -3.625 0.033
44 HB3 ALA 7 HB3 ALA 7 -11.104 -3.994 1.755
45 H HIS 8 H HIS 8 -7.678 -5.087 -0.621
46 HA HIS 8 HA HIS 8 -7.091 -7.267 1.289
47 HB2 HIS 8 HB3 HIS 8 -6.351 -6.921 -1.632
48 HB3 HIS 8 HB2 HIS 8 -6.038 -8.362 -0.673
49 HD2 HIS 8 HD2 HIS 8 -9.232 -7.941 0.759
50 HE1 HIS 8 HE1 HIS 8 -10.338 -9.174 -3.125
51 HE2 HIS 8 HE2 HIS 8 -11.151 -8.869 -0.743
52 H CYS 9 H CYS 9 -5.841 -4.325 0.997
53 HA CYS 9 HA CYS 9 -3.111 -4.527 0.429
54 HB2 CYS 9 HB3 CYS 9 -4.754 -2.802 2.205
55 HB3 CYS 9 HB2 CYS 9 -3.017 -2.814 2.509
56 H GLU 10 H GLU 10 -4.697 -5.203 3.582
57 HA GLU 10 HA GLU 10 -2.261 -5.918 4.913
58 HB2 GLU 10 HB3 GLU 10 -4.425 -5.447 6.081
59 HB3 GLU 10 HB2 GLU 10 -5.042 -6.986 5.478
60 HG2 GLU 10 HG3 GLU 10 -3.136 -8.145 6.594
61 HG3 GLU 10 HG2 GLU 10 -2.634 -6.598 7.279
62 H MET 11 H MET 11 -4.639 -7.838 3.102
63 HA MET 11 HA MET 11 -3.488 -10.392 3.607
64 HB2 MET 11 HB3 MET 11 -4.996 -9.371 1.185
65 HB3 MET 11 HB2 MET 11 -4.636 -11.069 1.494
66 HG2 MET 11 HG3 MET 11 -5.854 -10.915 3.653
67 HG3 MET 11 HG2 MET 11 -6.262 -9.240 3.284
68 HE1 MET 11 HE1 MET 11 -8.623 -11.693 3.784
69 HE2 MET 11 HE2 MET 11 -9.670 -10.629 2.847
70 HE3 MET 11 HE3 MET 11 -8.453 -9.937 3.916
71 H TRP 12 H TRP 12 -2.799 -7.957 1.133
72 HA TRP 12 HA TRP 12 -0.866 -9.598 -0.261
73 HB2 TRP 12 HB3 TRP 12 -1.234 -6.598 -0.229
74 HB3 TRP 12 HB2 TRP 12 -0.285 -7.491 -1.405
75 HD1 TRP 12 HD1 TRP 12 -2.757 -9.870 -1.226
76 HE1 TRP 12 HE1 TRP 12 -4.759 -9.439 -2.792
77 HE3 TRP 12 HE3 TRP 12 -2.066 -4.910 -2.171
78 HZ2 TRP 12 HZ2 TRP 12 -5.912 -7.260 -4.259
79 HZ3 TRP 12 HZ3 TRP 12 -3.621 -3.678 -3.650
80 HH2 TRP 12 HH2 TRP 12 -5.543 -4.846 -4.695
81 H GLN 13 H GLN 13 -0.586 -7.001 2.165
82 HA GLN 13 HA GLN 13 2.286 -7.022 2.161
83 HB2 GLN 13 HB3 GLN 13 2.126 -5.434 3.825
84 HB3 GLN 13 HB2 GLN 13 0.509 -5.307 3.135
85 HG2 GLN 13 HG3 GLN 13 0.017 -5.509 5.400
86 HG3 GLN 13 HG2 GLN 13 -0.068 -7.189 4.884
87 HE21 GLN 13 HE21 GLN 13 0.898 -8.441 6.496
88 HE22 GLN 13 HE22 GLN 13 2.364 -8.066 7.270
89 H GLN 14 H GLN 14 -0.158 -8.804 4.008
90 HA GLN 14 HA GLN 14 1.748 -9.969 5.834
91 HB2 GLN 14 HB3 GLN 14 -0.026 -11.208 6.678
92 HB3 GLN 14 HB2 GLN 14 -0.881 -9.847 5.956
93 HG2 GLN 14 HG3 GLN 14 -1.036 -11.288 3.838
94 HG3 GLN 14 HG2 GLN 14 -0.561 -12.641 4.863
95 HE21 GLN 14 HE21 GLN 14 -2.602 -9.877 5.865
96 HE22 GLN 14 HE22 GLN 14 -3.992 -10.803 6.164
97 H LEU 15 H LEU 15 0.657 -10.710 2.599
98 HA LEU 15 HA LEU 15 1.947 -13.345 2.573
99 HB2 LEU 15 HB3 LEU 15 0.768 -11.603 0.396
100 HB3 LEU 15 HB2 LEU 15 1.447 -13.205 0.101
101 HG LEU 15 HG LEU 15 -0.806 -12.617 2.041
102 HD11 LEU 15 HD11 LEU 15 -1.511 -12.272 -0.287
103 HD12 LEU 15 HD12 LEU 15 -2.227 -13.750 0.357
104 HD13 LEU 15 HD13 LEU 15 -0.843 -13.842 -0.731
105 HD21 LEU 15 HD21 LEU 15 0.057 -14.592 2.848
106 HD22 LEU 15 HD22 LEU 15 0.789 -15.025 1.304
107 HD23 LEU 15 HD23 LEU 15 -0.942 -15.254 1.554
108 H GLY 16 H GLY 16 3.038 -10.177 2.483
109 HA2 GLY 16 HA3 GLY 16 5.360 -9.584 2.345
110 HA3 GLY 16 HA2 GLY 16 5.664 -11.075 1.456
111 H HIS 17 H HIS 17 2.942 -9.312 0.323
112 HA HIS 17 HA HIS 17 3.952 -8.979 -2.287
113 HB2 HIS 17 HB3 HIS 17 1.794 -7.512 -0.775
114 HB3 HIS 17 HB2 HIS 17 2.154 -7.160 -2.465
115 HD2 HIS 17 HD2 HIS 17 2.192 -10.855 -1.091
116 HE1 HIS 17 HE1 HIS 17 -0.992 -10.487 -3.840
117 HE2 HIS 17 HE2 HIS 17 0.324 -12.115 -2.406
118 H CYS 18 H CYS 18 4.356 -6.929 0.546
119 HA CYS 18 HA CYS 18 5.396 -4.663 -0.958
120 HB2 CYS 18 HB3 CYS 18 5.243 -5.442 1.933
121 HB3 CYS 18 HB2 CYS 18 6.394 -4.192 1.463
122 H GLN 19 H GLN 19 6.738 -7.430 0.773
123 HA GLN 19 HA GLN 19 9.498 -6.698 0.364
124 HB2 GLN 19 HB3 GLN 19 8.641 -8.330 2.097
125 HB3 GLN 19 HB2 GLN 19 8.364 -9.474 0.787
126 HG2 GLN 19 HG3 GLN 19 10.755 -9.330 0.160
127 HG3 GLN 19 HG2 GLN 19 11.030 -8.223 1.507
128 HE21 GLN 19 HE21 GLN 19 8.717 -10.175 2.727
129 HE22 GLN 19 HE22 GLN 19 9.670 -11.397 3.415
130 H TYR 20 H TYR 20 7.097 -8.485 -1.449
131 HA TYR 20 HA TYR 20 9.111 -9.273 -3.472
132 HB2 TYR 20 HB3 TYR 20 6.164 -9.939 -3.213
133 HB3 TYR 20 HB2 TYR 20 7.245 -10.584 -4.451
134 HD1 TYR 20 HD1 TYR 20 9.546 -11.560 -3.444
135 HD2 TYR 20 HD2 TYR 20 5.829 -11.249 -1.318
136 HE1 TYR 20 HE1 TYR 20 10.294 -13.331 -1.877
137 HE2 TYR 20 HE2 TYR 20 6.578 -13.015 0.252
138 HH TYR 20 HH TYR 20 9.167 -13.851 0.981
139 H SER 21 H SER 21 5.971 -7.516 -3.381
140 HA SER 21 HA SER 21 6.870 -6.147 -5.889
141 HB2 SER 21 HB3 SER 21 4.780 -7.848 -5.791
142 HB3 SER 21 HB2 SER 21 3.958 -6.361 -5.329
143 HG SER 21 HG SER 21 3.951 -6.487 -7.550
144 HA PRO 22 HA PRO 22 5.958 -3.012 -2.541
145 HB2 PRO 22 HB3 PRO 22 8.342 -1.665 -2.799
146 HB3 PRO 22 HB2 PRO 22 8.079 -2.994 -1.655
147 HG2 PRO 22 HG3 PRO 22 9.474 -2.991 -4.269
148 HG3 PRO 22 HG2 PRO 22 9.810 -3.929 -2.804
149 HD2 PRO 22 HD3 PRO 22 8.545 -4.952 -5.038
150 HD3 PRO 22 HD2 PRO 22 8.369 -5.617 -3.399
151 H LYS 23 H LYS 23 7.111 -2.962 -5.803
152 HA LYS 23 HA LYS 23 6.916 -0.199 -6.407
153 HB2 LYS 23 HB3 LYS 23 6.410 -2.616 -8.162
154 HB3 LYS 23 HB2 LYS 23 6.607 -0.966 -8.756
155 HG2 LYS 23 HG3 LYS 23 8.852 -0.874 -7.694
156 HG3 LYS 23 HG2 LYS 23 8.659 -2.552 -7.184
157 HD2 LYS 23 HD3 LYS 23 8.411 -3.235 -9.550
158 HD3 LYS 23 HD2 LYS 23 8.640 -1.559 -10.051
159 HE2 LYS 23 HE3 LYS 23 10.718 -3.023 -10.149
160 HE3 LYS 23 HE2 LYS 23 10.887 -1.526 -9.232
161 HZ1 LYS 23 HZ1 LYS 23 10.996 -2.623 -7.272
162 HZ2 LYS 23 HZ2 LYS 23 11.616 -3.853 -8.264
163 HZ3 LYS 23 HZ3 LYS 23 9.988 -3.890 -7.779
164 H TYR 24 H TYR 24 4.399 -2.697 -6.212
165 HA TYR 24 HA TYR 24 2.426 -0.619 -7.054
166 HB2 TYR 24 HB3 TYR 24 1.945 -3.586 -6.702
167 HB3 TYR 24 HB2 TYR 24 0.908 -2.421 -7.528
168 HD1 TYR 24 HD1 TYR 24 4.123 -4.248 -7.687
169 HD2 TYR 24 HD2 TYR 24 1.389 -1.673 -9.770
170 HE1 TYR 24 HE1 TYR 24 5.346 -4.664 -9.807
171 HE2 TYR 24 HE2 TYR 24 2.612 -2.087 -11.889
172 HH TYR 24 HH TYR 24 5.495 -3.052 -12.196
173 H MET 25 H MET 25 3.499 -2.513 -4.313
174 HA MET 25 HA MET 25 1.043 -2.195 -2.785
175 HB2 MET 25 HB3 MET 25 3.905 -2.651 -1.886
176 HB3 MET 25 HB2 MET 25 2.501 -2.700 -0.820
177 HG2 MET 25 HG3 MET 25 2.796 -4.442 -3.278
178 HG3 MET 25 HG2 MET 25 3.241 -4.965 -1.656
179 HE1 MET 25 HE1 MET 25 0.356 -3.905 0.288
180 HE2 MET 25 HE2 MET 25 1.982 -4.576 0.218
181 HE3 MET 25 HE3 MET 25 0.597 -5.655 0.306
182 H GLY 26 H GLY 26 4.112 -0.418 -3.010
183 HA2 GLY 26 HA3 GLY 26 3.491 1.590 -1.082
184 HA3 GLY 26 HA2 GLY 26 4.639 1.783 -2.411
185 H HIS 27 H HIS 27 2.530 1.115 -4.407
186 HA HIS 27 HA HIS 27 1.462 3.834 -4.683
187 HB2 HIS 27 HB3 HIS 27 2.370 2.536 -6.634
188 HB3 HIS 27 HB2 HIS 27 1.006 1.426 -6.466
189 HD2 HIS 27 HD2 HIS 27 -1.499 2.480 -7.295
190 HE1 HIS 27 HE1 HIS 27 -0.015 6.201 -8.623
191 HE2 HIS 27 HE2 HIS 27 -2.050 4.689 -8.564
192 H TYR 28 H TYR 28 0.411 0.808 -3.465
193 HA TYR 28 HA TYR 28 -2.410 1.792 -3.478
194 HB2 TYR 28 HB3 TYR 28 -1.226 -0.935 -3.839
195 HB3 TYR 28 HB2 TYR 28 -2.826 -0.785 -3.105
196 HD1 TYR 28 HD2 TYR 28 -0.816 -0.124 -6.140
197 HD2 TYR 28 HD1 TYR 28 -4.728 0.004 -4.370
198 HE1 TYR 28 HE2 TYR 28 -1.816 0.250 -8.377
199 HE2 TYR 28 HE1 TYR 28 -5.727 0.379 -6.608
200 HH TYR 28 HH TYR 28 -3.732 0.968 -9.436
201 H CYS 29 H CYS 29 -0.145 -0.273 -1.623
202 HA CYS 29 HA CYS 29 -1.657 0.518 0.819
203 HB2 CYS 29 HB3 CYS 29 0.439 -1.642 0.693
204 HB3 CYS 29 HB2 CYS 29 -0.896 -1.459 1.831
205 H LYS 30 H LYS 30 -0.755 2.258 1.789
206 HA LYS 30 HA LYS 30 2.130 2.796 1.504
207 HB2 LYS 30 HB3 LYS 30 0.298 4.440 3.217
208 HB3 LYS 30 HB2 LYS 30 1.644 4.966 2.209
209 HG2 LYS 30 HG3 LYS 30 -1.035 3.953 1.205
210 HG3 LYS 30 HG2 LYS 30 -0.507 5.634 1.205
211 HD2 LYS 30 HD3 LYS 30 1.078 3.492 -0.218
212 HD3 LYS 30 HD2 LYS 30 -0.265 4.315 -1.000
213 HE2 LYS 30 HE3 LYS 30 2.208 5.626 0.157
214 HE3 LYS 30 HE2 LYS 30 1.803 5.477 -1.551
215 HZ1 LYS 30 HZ1 LYS 30 0.732 7.278 0.461
216 HZ2 LYS 30 HZ2 LYS 30 -0.398 6.633 -0.633
217 HZ3 LYS 30 HZ3 LYS 30 0.940 7.510 -1.206
218 H LYS 31 H LYS 31 -0.181 2.467 4.202
219 HA LYS 31 HA LYS 31 1.782 2.335 6.280
220 HB2 LYS 31 HB3 LYS 31 -1.044 1.271 6.067
221 HB3 LYS 31 HB2 LYS 31 -0.102 1.217 7.556
222 HG2 LYS 31 HG3 LYS 31 -0.122 3.524 7.823
223 HG3 LYS 31 HG2 LYS 31 -0.340 3.823 6.099
224 HD2 LYS 31 HD3 LYS 31 -2.470 4.293 6.840
225 HD3 LYS 31 HD2 LYS 31 -2.653 2.567 6.549
226 HE2 LYS 31 HE3 LYS 31 -1.774 2.391 9.044
227 HE3 LYS 31 HE2 LYS 31 -2.400 4.037 9.143
228 HZ1 LYS 31 HZ1 LYS 31 -4.327 3.006 9.555
229 HZ2 LYS 31 HZ2 LYS 31 -3.817 1.531 8.884
230 HZ3 LYS 31 HZ3 LYS 31 -4.390 2.775 7.876
231 H ALA 32 H ALA 32 -0.002 -0.176 4.539
232 HA ALA 32 HA ALA 32 1.144 -2.434 5.796
233 HB1 ALA 32 HB1 ALA 32 -0.718 -2.036 3.846
234 HB2 ALA 32 HB2 ALA 32 -0.039 -3.608 4.252
235 HB3 ALA 32 HB3 ALA 32 0.621 -2.690 2.900
236 H CYS 33 H CYS 33 2.491 -0.200 3.513
237 HA CYS 33 HA CYS 33 4.824 -2.014 3.100
238 HB2 CYS 33 HB3 CYS 33 3.398 -0.261 1.343
239 HB3 CYS 33 HB2 CYS 33 5.024 0.372 1.544
240 H GLY 34 H GLY 34 6.855 -0.299 2.705
241 HA2 GLY 34 HA3 GLY 34 7.252 0.804 5.378
242 HA3 GLY 34 HA2 GLY 34 8.440 0.795 4.076
243 H LEU 35 H LEU 35 5.183 2.131 3.626
244 HA LEU 35 HA LEU 35 6.499 4.770 3.182
245 HB2 LEU 35 HB3 LEU 35 3.637 3.990 2.582
246 HB3 LEU 35 HB2 LEU 35 4.512 5.389 1.968
247 HG LEU 35 HG LEU 35 4.913 2.483 1.273
248 HD11 LEU 35 HD11 LEU 35 4.323 5.018 -0.260
249 HD12 LEU 35 HD12 LEU 35 3.315 3.581 -0.123
250 HD13 LEU 35 HD13 LEU 35 4.813 3.521 -1.049
251 HD21 LEU 35 HD21 LEU 35 6.875 3.391 -0.108
252 HD22 LEU 35 HD22 LEU 35 7.145 3.235 1.625
253 HD23 LEU 35 HD23 LEU 35 6.803 4.816 0.926
254 H CYS 36 H CYS 36 4.299 3.079 5.268
255 HA CYS 36 HA CYS 36 4.305 5.342 7.131
256 HB2 CYS 36 HB3 CYS 36 2.106 4.919 5.299
257 HB3 CYS 36 HB2 CYS 36 1.566 4.692 6.962
Start of MODEL 19
1 HA VAL 1 HA VAL 1 -1.456 11.440 4.652
2 HB VAL 1 HB VAL 1 -3.376 12.566 3.358
3 HG11 VAL 1 HG11 VAL 1 -4.276 11.538 1.490
4 HG12 VAL 1 HG12 VAL 1 -3.696 9.941 1.958
5 HG13 VAL 1 HG13 VAL 1 -2.580 11.116 1.263
6 HG21 VAL 1 HG21 VAL 1 -4.922 10.528 3.936
7 HG22 VAL 1 HG22 VAL 1 -4.038 11.324 5.238
8 HG23 VAL 1 HG23 VAL 1 -3.442 9.806 4.566
9 H CYS 2 H CYS 2 -1.501 9.176 4.943
10 HA CYS 2 HA CYS 2 -0.785 7.528 2.565
11 HB2 CYS 2 HB3 CYS 2 1.022 6.488 3.711
12 HB3 CYS 2 HB2 CYS 2 1.214 8.210 4.037
13 H GLU 3 H GLU 3 -2.146 5.810 2.432
14 HA GLU 3 HA GLU 3 -2.954 4.322 4.786
15 HB2 GLU 3 HB3 GLU 3 -5.298 4.788 4.775
16 HB3 GLU 3 HB2 GLU 3 -4.492 6.352 4.771
17 HG2 GLU 3 HG3 GLU 3 -4.713 6.399 2.275
18 HG3 GLU 3 HG2 GLU 3 -5.668 4.920 2.376
19 H ASP 4 H ASP 4 -4.227 2.400 4.183
20 HA ASP 4 HA ASP 4 -3.302 1.306 1.695
21 HB2 ASP 4 HB3 ASP 4 -4.744 -0.638 2.281
22 HB3 ASP 4 HB2 ASP 4 -3.677 -0.157 3.599
23 H LEU 5 H LEU 5 -4.151 1.577 -0.267
24 HA LEU 5 HA LEU 5 -6.721 2.920 -0.610
25 HB2 LEU 5 HB3 LEU 5 -4.797 1.695 -2.615
26 HB3 LEU 5 HB2 LEU 5 -6.215 2.662 -3.042
27 HG LEU 5 HG LEU 5 -3.856 3.601 -1.371
28 HD11 LEU 5 HD11 LEU 5 -4.202 3.405 -4.173
29 HD12 LEU 5 HD12 LEU 5 -2.934 4.276 -3.312
30 HD13 LEU 5 HD13 LEU 5 -4.420 5.108 -3.770
31 HD21 LEU 5 HD21 LEU 5 -5.122 5.854 -1.914
32 HD22 LEU 5 HD22 LEU 5 -5.642 4.863 -0.552
33 HD23 LEU 5 HD23 LEU 5 -6.522 4.796 -2.079
34 H ASN 6 H ASN 6 -5.457 -0.361 -0.957
35 HA ASN 6 HA ASN 6 -8.172 -1.270 -1.773
36 HB2 ASN 6 HB3 ASN 6 -5.981 -1.946 -3.012
37 HB3 ASN 6 HB2 ASN 6 -5.744 -3.039 -1.646
38 HD21 ASN 6 HD21 ASN 6 -6.317 -5.061 -2.494
39 HD22 ASN 6 HD22 ASN 6 -7.791 -5.396 -3.266
40 H ALA 7 H ALA 7 -9.284 -2.797 -0.544
41 HA ALA 7 HA ALA 7 -8.723 -2.806 2.295
42 HB1 ALA 7 HB1 ALA 7 -10.698 -4.243 2.462
43 HB2 ALA 7 HB2 ALA 7 -10.679 -4.504 0.716
44 HB3 ALA 7 HB3 ALA 7 -11.029 -2.901 1.366
45 H HIS 8 H HIS 8 -7.748 -4.785 -0.341
46 HA HIS 8 HA HIS 8 -7.195 -7.141 1.354
47 HB2 HIS 8 HB3 HIS 8 -6.629 -6.558 -1.567
48 HB3 HIS 8 HB2 HIS 8 -6.281 -8.091 -0.776
49 HD2 HIS 8 HD2 HIS 8 -9.414 -7.590 0.894
50 HE1 HIS 8 HE1 HIS 8 -10.727 -8.726 -2.959
51 HE2 HIS 8 HE2 HIS 8 -11.422 -8.450 -0.535
52 H CYS 9 H CYS 9 -5.755 -4.235 1.054
53 HA CYS 9 HA CYS 9 -3.069 -4.603 0.405
54 HB2 CYS 9 HB3 CYS 9 -4.484 -2.869 2.396
55 HB3 CYS 9 HB2 CYS 9 -2.722 -2.926 2.419
56 H GLU 10 H GLU 10 -4.596 -5.248 3.586
57 HA GLU 10 HA GLU 10 -2.185 -6.190 4.820
58 HB2 GLU 10 HB3 GLU 10 -4.332 -5.566 6.022
59 HB3 GLU 10 HB2 GLU 10 -4.993 -7.107 5.476
60 HG2 GLU 10 HG3 GLU 10 -3.088 -8.279 6.575
61 HG3 GLU 10 HG2 GLU 10 -2.526 -6.730 7.195
62 H MET 11 H MET 11 -4.728 -7.778 2.945
63 HA MET 11 HA MET 11 -3.883 -10.469 3.337
64 HB2 MET 11 HB3 MET 11 -5.221 -9.181 0.938
65 HB3 MET 11 HB2 MET 11 -5.053 -10.920 1.177
66 HG2 MET 11 HG3 MET 11 -6.295 -10.693 3.340
67 HG3 MET 11 HG2 MET 11 -6.560 -8.992 2.965
68 HE1 MET 11 HE1 MET 11 -8.651 -9.821 3.697
69 HE2 MET 11 HE2 MET 11 -9.667 -11.043 2.940
70 HE3 MET 11 HE3 MET 11 -9.792 -9.362 2.425
71 H TRP 12 H TRP 12 -2.739 -7.939 1.148
72 HA TRP 12 HA TRP 12 -0.980 -9.818 -0.280
73 HB2 TRP 12 HB3 TRP 12 -1.054 -6.796 -0.447
74 HB3 TRP 12 HB2 TRP 12 -0.330 -7.901 -1.609
75 HD1 TRP 12 HD1 TRP 12 -2.990 -9.940 -1.196
76 HE1 TRP 12 HE1 TRP 12 -5.073 -9.346 -2.597
77 HE3 TRP 12 HE3 TRP 12 -1.935 -5.077 -2.317
78 HZ2 TRP 12 HZ2 TRP 12 -6.146 -7.094 -4.014
79 HZ3 TRP 12 HZ3 TRP 12 -3.494 -3.731 -3.691
80 HH2 TRP 12 HH2 TRP 12 -5.596 -4.729 -4.540
81 H GLN 13 H GLN 13 -0.575 -7.123 2.035
82 HA GLN 13 HA GLN 13 2.294 -7.209 2.016
83 HB2 GLN 13 HB3 GLN 13 2.202 -5.679 3.791
84 HB3 GLN 13 HB2 GLN 13 0.678 -5.391 2.949
85 HG2 GLN 13 HG3 GLN 13 -0.046 -5.586 5.158
86 HG3 GLN 13 HG2 GLN 13 -0.234 -7.241 4.584
87 HE21 GLN 13 HE21 GLN 13 0.200 -8.300 6.595
88 HE22 GLN 13 HE22 GLN 13 1.702 -8.210 7.380
89 H GLN 14 H GLN 14 -0.153 -8.925 3.859
90 HA GLN 14 HA GLN 14 1.626 -10.050 5.795
91 HB2 GLN 14 HB3 GLN 14 -0.172 -11.486 6.375
92 HB3 GLN 14 HB2 GLN 14 -0.937 -9.998 5.824
93 HG2 GLN 14 HG3 GLN 14 -1.075 -11.074 3.521
94 HG3 GLN 14 HG2 GLN 14 -0.630 -12.587 4.306
95 HE21 GLN 14 HE21 GLN 14 -2.690 -10.020 5.712
96 HE22 GLN 14 HE22 GLN 14 -4.088 -10.975 5.815
97 H LEU 15 H LEU 15 0.819 -10.869 2.495
98 HA LEU 15 HA LEU 15 2.214 -13.455 2.618
99 HB2 LEU 15 HB3 LEU 15 1.139 -11.877 0.261
100 HB3 LEU 15 HB2 LEU 15 1.736 -13.535 0.185
101 HG LEU 15 HG LEU 15 -0.640 -12.547 1.797
102 HD11 LEU 15 HD11 LEU 15 -1.042 -12.767 -0.642
103 HD12 LEU 15 HD12 LEU 15 -1.936 -13.979 0.277
104 HD13 LEU 15 HD13 LEU 15 -0.460 -14.431 -0.575
105 HD21 LEU 15 HD21 LEU 15 -0.837 -15.207 1.936
106 HD22 LEU 15 HD22 LEU 15 0.100 -14.294 3.118
107 HD23 LEU 15 HD23 LEU 15 0.916 -15.099 1.779
108 H GLY 16 H GLY 16 3.111 -10.228 2.425
109 HA2 GLY 16 HA3 GLY 16 5.421 -9.541 2.401
110 HA3 GLY 16 HA2 GLY 16 5.820 -10.999 1.503
111 H HIS 17 H HIS 17 3.048 -9.444 0.240
112 HA HIS 17 HA HIS 17 4.169 -8.982 -2.295
113 HB2 HIS 17 HB3 HIS 17 1.835 -7.684 -0.888
114 HB3 HIS 17 HB2 HIS 17 2.268 -7.267 -2.548
115 HD2 HIS 17 HD2 HIS 17 2.416 -10.969 -1.190
116 HE1 HIS 17 HE1 HIS 17 -0.555 -10.760 -4.184
117 HE2 HIS 17 HE2 HIS 17 0.712 -12.319 -2.635
118 H CYS 18 H CYS 18 4.177 -6.880 0.545
119 HA CYS 18 HA CYS 18 5.306 -4.608 -0.899
120 HB2 CYS 18 HB3 CYS 18 4.723 -5.282 1.956
121 HB3 CYS 18 HB2 CYS 18 5.934 -4.038 1.642
122 H GLN 19 H GLN 19 6.492 -7.272 1.077
123 HA GLN 19 HA GLN 19 9.259 -6.437 1.044
124 HB2 GLN 19 HB3 GLN 19 8.232 -8.077 2.680
125 HB3 GLN 19 HB2 GLN 19 8.173 -9.247 1.361
126 HG2 GLN 19 HG3 GLN 19 10.631 -8.999 1.059
127 HG3 GLN 19 HG2 GLN 19 10.665 -7.906 2.449
128 HE21 GLN 19 HE21 GLN 19 12.165 -10.251 2.676
129 HE22 GLN 19 HE22 GLN 19 11.401 -11.338 3.732
130 H TYR 20 H TYR 20 7.192 -8.366 -1.030
131 HA TYR 20 HA TYR 20 9.488 -9.119 -2.744
132 HB2 TYR 20 HB3 TYR 20 6.575 -9.938 -2.795
133 HB3 TYR 20 HB2 TYR 20 7.819 -10.590 -3.860
134 HD1 TYR 20 HD1 TYR 20 10.085 -11.249 -2.411
135 HD2 TYR 20 HD2 TYR 20 6.028 -11.304 -0.998
136 HE1 TYR 20 HE1 TYR 20 10.712 -12.891 -0.661
137 HE2 TYR 20 HE2 TYR 20 6.658 -12.946 0.751
138 HH TYR 20 HH TYR 20 9.973 -13.731 1.419
139 H SER 21 H SER 21 6.271 -7.554 -3.104
140 HA SER 21 HA SER 21 7.372 -6.209 -5.545
141 HB2 SER 21 HB3 SER 21 5.621 -8.066 -5.914
142 HB3 SER 21 HB2 SER 21 4.467 -6.939 -5.208
143 HG SER 21 HG SER 21 5.823 -5.548 -6.939
144 HA PRO 22 HA PRO 22 5.704 -3.058 -2.522
145 HB2 PRO 22 HB3 PRO 22 7.961 -1.522 -2.415
146 HB3 PRO 22 HB2 PRO 22 7.679 -2.902 -1.337
147 HG2 PRO 22 HG3 PRO 22 9.384 -2.709 -3.760
148 HG3 PRO 22 HG2 PRO 22 9.654 -3.602 -2.252
149 HD2 PRO 22 HD3 PRO 22 8.781 -4.765 -4.599
150 HD3 PRO 22 HD2 PRO 22 8.479 -5.442 -2.986
151 H LYS 23 H LYS 23 7.175 -3.039 -5.628
152 HA LYS 23 HA LYS 23 7.041 -0.305 -6.352
153 HB2 LYS 23 HB3 LYS 23 6.624 -2.765 -8.071
154 HB3 LYS 23 HB2 LYS 23 6.958 -1.142 -8.682
155 HG2 LYS 23 HG3 LYS 23 9.084 -1.134 -7.374
156 HG3 LYS 23 HG2 LYS 23 8.763 -2.801 -6.895
157 HD2 LYS 23 HD3 LYS 23 8.662 -3.409 -9.334
158 HD3 LYS 23 HD2 LYS 23 9.179 -1.767 -9.715
159 HE2 LYS 23 HE3 LYS 23 11.035 -3.518 -9.596
160 HE3 LYS 23 HE2 LYS 23 11.278 -2.071 -8.613
161 HZ1 LYS 23 HZ1 LYS 23 11.715 -4.214 -7.449
162 HZ2 LYS 23 HZ2 LYS 23 10.058 -4.571 -7.583
163 HZ3 LYS 23 HZ3 LYS 23 10.570 -3.221 -6.684
164 H TYR 24 H TYR 24 4.489 -2.770 -6.287
165 HA TYR 24 HA TYR 24 2.605 -0.742 -7.402
166 HB2 TYR 24 HB3 TYR 24 2.059 -3.667 -6.853
167 HB3 TYR 24 HB2 TYR 24 1.100 -2.563 -7.836
168 HD1 TYR 24 HD1 TYR 24 1.874 -1.839 -10.049
169 HD2 TYR 24 HD2 TYR 24 4.139 -4.612 -7.684
170 HE1 TYR 24 HE1 TYR 24 3.201 -2.461 -12.051
171 HE2 TYR 24 HE2 TYR 24 5.468 -5.239 -9.685
172 HH TYR 24 HH TYR 24 4.689 -4.941 -12.569
173 H MET 25 H MET 25 3.498 -2.342 -4.472
174 HA MET 25 HA MET 25 0.942 -1.977 -3.124
175 HB2 MET 25 HB3 MET 25 3.737 -2.471 -2.077
176 HB3 MET 25 HB2 MET 25 2.300 -2.428 -1.064
177 HG2 MET 25 HG3 MET 25 2.653 -4.291 -3.431
178 HG3 MET 25 HG2 MET 25 2.960 -4.748 -1.753
179 HE1 MET 25 HE1 MET 25 -0.339 -4.700 0.013
180 HE2 MET 25 HE2 MET 25 1.105 -3.706 0.064
181 HE3 MET 25 HE3 MET 25 1.256 -5.452 -0.089
182 H GLY 26 H GLY 26 3.974 -0.184 -3.389
183 HA2 GLY 26 HA3 GLY 26 3.427 1.791 -1.419
184 HA3 GLY 26 HA2 GLY 26 4.494 2.022 -2.808
185 H HIS 27 H HIS 27 2.239 1.332 -4.657
186 HA HIS 27 HA HIS 27 1.143 4.052 -4.833
187 HB2 HIS 27 HB3 HIS 27 2.008 2.808 -6.838
188 HB3 HIS 27 HB2 HIS 27 0.659 1.683 -6.656
189 HD2 HIS 27 HD2 HIS 27 -1.853 2.702 -7.456
190 HE1 HIS 27 HE1 HIS 27 -0.457 6.476 -8.727
191 HE2 HIS 27 HE2 HIS 27 -2.454 4.913 -8.697
192 H TYR 28 H TYR 28 0.203 1.064 -3.516
193 HA TYR 28 HA TYR 28 -2.637 1.996 -3.417
194 HB2 TYR 28 HB3 TYR 28 -1.473 -0.732 -3.881
195 HB3 TYR 28 HB2 TYR 28 -3.047 -0.579 -3.100
196 HD1 TYR 28 HD2 TYR 28 -1.125 0.082 -6.192
197 HD2 TYR 28 HD1 TYR 28 -4.983 0.233 -4.311
198 HE1 TYR 28 HE2 TYR 28 -2.190 0.449 -8.405
199 HE2 TYR 28 HE1 TYR 28 -6.049 0.601 -6.520
200 HH TYR 28 HH TYR 28 -4.122 1.121 -9.428
201 H CYS 29 H CYS 29 -0.324 -0.187 -1.732
202 HA CYS 29 HA CYS 29 -1.703 0.544 0.802
203 HB2 CYS 29 HB3 CYS 29 0.409 -1.585 0.515
204 HB3 CYS 29 HB2 CYS 29 -0.882 -1.461 1.711
205 H LYS 30 H LYS 30 -0.773 2.272 1.777
206 HA LYS 30 HA LYS 30 2.104 2.796 1.408
207 HB2 LYS 30 HB3 LYS 30 0.361 4.416 3.220
208 HB3 LYS 30 HB2 LYS 30 1.664 4.951 2.158
209 HG2 LYS 30 HG3 LYS 30 -1.066 3.975 1.264
210 HG3 LYS 30 HG2 LYS 30 -0.524 5.651 1.268
211 HD2 LYS 30 HD3 LYS 30 1.016 3.533 -0.228
212 HD3 LYS 30 HD2 LYS 30 -0.374 4.323 -0.959
213 HE2 LYS 30 HE3 LYS 30 2.158 5.639 0.052
214 HE3 LYS 30 HE2 LYS 30 1.575 5.576 -1.611
215 HZ1 LYS 30 HZ1 LYS 30 0.980 7.678 -0.823
216 HZ2 LYS 30 HZ2 LYS 30 0.441 7.081 0.670
217 HZ3 LYS 30 HZ3 LYS 30 -0.455 6.781 -0.741
218 H LYS 31 H LYS 31 -0.144 2.403 4.139
219 HA LYS 31 HA LYS 31 1.856 2.220 6.172
220 HB2 LYS 31 HB3 LYS 31 -0.954 1.125 5.972
221 HB3 LYS 31 HB2 LYS 31 0.010 1.065 7.450
222 HG2 LYS 31 HG3 LYS 31 -0.114 3.337 7.788
223 HG3 LYS 31 HG2 LYS 31 -0.210 3.693 6.062
224 HD2 LYS 31 HD3 LYS 31 -2.379 4.167 6.796
225 HD3 LYS 31 HD2 LYS 31 -2.538 2.514 6.209
226 HE2 LYS 31 HE3 LYS 31 -1.732 2.161 8.834
227 HE3 LYS 31 HE2 LYS 31 -2.799 3.563 8.933
228 HZ1 LYS 31 HZ1 LYS 31 -4.300 1.872 9.074
229 HZ2 LYS 31 HZ2 LYS 31 -3.400 0.820 8.089
230 HZ3 LYS 31 HZ3 LYS 31 -4.284 2.093 7.392
231 H ALA 32 H ALA 32 0.035 -0.272 4.430
232 HA ALA 32 HA ALA 32 1.253 -2.533 5.594
233 HB1 ALA 32 HB1 ALA 32 -0.665 -2.121 3.698
234 HB2 ALA 32 HB2 ALA 32 0.044 -3.690 4.057
235 HB3 ALA 32 HB3 ALA 32 0.661 -2.736 2.707
236 H CYS 33 H CYS 33 2.504 -0.223 3.331
237 HA CYS 33 HA CYS 33 4.845 -1.993 2.794
238 HB2 CYS 33 HB3 CYS 33 3.349 -0.100 1.202
239 HB3 CYS 33 HB2 CYS 33 5.042 0.367 1.278
240 H GLY 34 H GLY 34 6.915 -0.469 2.536
241 HA2 GLY 34 HA3 GLY 34 7.405 0.635 5.155
242 HA3 GLY 34 HA2 GLY 34 8.517 0.702 3.788
243 H LEU 35 H LEU 35 5.256 1.952 3.418
244 HA LEU 35 HA LEU 35 6.498 4.637 3.113
245 HB2 LEU 35 HB3 LEU 35 3.660 3.792 2.495
246 HB3 LEU 35 HB2 LEU 35 4.463 5.268 1.971
247 HG LEU 35 HG LEU 35 4.985 2.438 1.079
248 HD11 LEU 35 HD11 LEU 35 3.290 3.654 -0.163
249 HD12 LEU 35 HD12 LEU 35 4.736 3.518 -1.159
250 HD13 LEU 35 HD13 LEU 35 4.368 5.035 -0.345
251 HD21 LEU 35 HD21 LEU 35 6.877 3.573 -0.282
252 HD22 LEU 35 HD22 LEU 35 7.195 3.201 1.414
253 HD23 LEU 35 HD23 LEU 35 6.791 4.848 0.934
254 H CYS 36 H CYS 36 4.416 2.788 5.180
255 HA CYS 36 HA CYS 36 4.391 5.015 7.100
256 HB2 CYS 36 HB3 CYS 36 2.120 4.444 5.368
257 HB3 CYS 36 HB2 CYS 36 1.699 4.293 7.073
Start of MODEL 20
1 HA VAL 1 HA VAL 1 -0.664 11.499 4.615
2 HB VAL 1 HB VAL 1 -1.402 10.320 6.611
3 HG11 VAL 1 HG11 VAL 1 -1.800 12.872 6.275
4 HG12 VAL 1 HG12 VAL 1 -2.605 12.074 7.628
5 HG13 VAL 1 HG13 VAL 1 -3.503 12.435 6.153
6 HG21 VAL 1 HG21 VAL 1 -4.063 10.136 6.727
7 HG22 VAL 1 HG22 VAL 1 -3.087 8.839 6.033
8 HG23 VAL 1 HG23 VAL 1 -3.892 10.005 4.980
9 H CYS 2 H CYS 2 -0.831 8.791 5.693
10 HA CYS 2 HA CYS 2 -0.632 7.312 3.110
11 HB2 CYS 2 HB3 CYS 2 0.499 5.669 4.976
12 HB3 CYS 2 HB2 CYS 2 1.400 6.836 4.013
13 H GLU 3 H GLU 3 -2.114 5.748 2.701
14 HA GLU 3 HA GLU 3 -3.365 4.257 4.903
15 HB2 GLU 3 HB3 GLU 3 -5.610 4.904 4.486
16 HB3 GLU 3 HB2 GLU 3 -4.713 6.424 4.515
17 HG2 GLU 3 HG3 GLU 3 -4.511 6.266 2.008
18 HG3 GLU 3 HG2 GLU 3 -5.597 4.877 2.064
19 H ASP 4 H ASP 4 -4.605 2.396 4.065
20 HA ASP 4 HA ASP 4 -3.378 1.338 1.650
21 HB2 ASP 4 HB3 ASP 4 -4.855 -0.645 2.114
22 HB3 ASP 4 HB2 ASP 4 -3.803 -0.197 3.457
23 H LEU 5 H LEU 5 -4.131 1.574 -0.378
24 HA LEU 5 HA LEU 5 -6.684 2.882 -0.881
25 HB2 LEU 5 HB3 LEU 5 -4.724 1.534 -2.765
26 HB3 LEU 5 HB2 LEU 5 -6.109 2.491 -3.279
27 HG LEU 5 HG LEU 5 -3.744 3.472 -1.652
28 HD11 LEU 5 HD11 LEU 5 -4.374 4.904 -4.088
29 HD12 LEU 5 HD12 LEU 5 -4.123 3.194 -4.428
30 HD13 LEU 5 HD13 LEU 5 -2.863 4.126 -3.620
31 HD21 LEU 5 HD21 LEU 5 -5.021 5.718 -2.260
32 HD22 LEU 5 HD22 LEU 5 -5.454 4.799 -0.818
33 HD23 LEU 5 HD23 LEU 5 -6.423 4.649 -2.285
34 H ASN 6 H ASN 6 -5.394 -0.394 -1.111
35 HA ASN 6 HA ASN 6 -8.085 -1.388 -1.910
36 HB2 ASN 6 HB3 ASN 6 -5.285 -2.361 -2.229
37 HB3 ASN 6 HB2 ASN 6 -6.543 -3.587 -2.050
38 HD21 ASN 6 HD21 ASN 6 -4.987 -2.912 -4.530
39 HD22 ASN 6 HD22 ASN 6 -6.144 -2.464 -5.688
40 H ALA 7 H ALA 7 -9.241 -2.735 -0.550
41 HA ALA 7 HA ALA 7 -8.605 -2.741 2.262
42 HB1 ALA 7 HB1 ALA 7 -10.862 -3.263 0.720
43 HB2 ALA 7 HB2 ALA 7 -10.746 -3.442 2.470
44 HB3 ALA 7 HB3 ALA 7 -10.465 -4.831 1.419
45 H HIS 8 H HIS 8 -7.740 -4.791 -0.363
46 HA HIS 8 HA HIS 8 -7.125 -7.105 1.347
47 HB2 HIS 8 HB3 HIS 8 -6.579 -6.562 -1.584
48 HB3 HIS 8 HB2 HIS 8 -6.292 -8.101 -0.771
49 HD2 HIS 8 HD2 HIS 8 -9.357 -7.478 0.935
50 HE1 HIS 8 HE1 HIS 8 -10.805 -8.497 -2.899
51 HE2 HIS 8 HE2 HIS 8 -11.436 -8.212 -0.459
52 H CYS 9 H CYS 9 -5.698 -4.210 1.062
53 HA CYS 9 HA CYS 9 -3.011 -4.608 0.368
54 HB2 CYS 9 HB3 CYS 9 -4.375 -2.836 2.371
55 HB3 CYS 9 HB2 CYS 9 -2.615 -2.887 2.315
56 H GLU 10 H GLU 10 -4.567 -5.203 3.533
57 HA GLU 10 HA GLU 10 -2.185 -6.113 4.831
58 HB2 GLU 10 HB3 GLU 10 -4.341 -5.502 5.990
59 HB3 GLU 10 HB2 GLU 10 -5.016 -7.026 5.409
60 HG2 GLU 10 HG3 GLU 10 -3.148 -8.238 6.536
61 HG3 GLU 10 HG2 GLU 10 -2.590 -6.702 7.196
62 H MET 11 H MET 11 -4.665 -7.767 2.925
63 HA MET 11 HA MET 11 -3.778 -10.440 3.365
64 HB2 MET 11 HB3 MET 11 -5.104 -9.204 0.931
65 HB3 MET 11 HB2 MET 11 -4.924 -10.936 1.203
66 HG2 MET 11 HG3 MET 11 -6.418 -9.015 3.014
67 HG3 MET 11 HG2 MET 11 -7.161 -10.165 1.902
68 HE1 MET 11 HE1 MET 11 -6.578 -12.439 1.738
69 HE2 MET 11 HE2 MET 11 -6.543 -13.541 3.110
70 HE3 MET 11 HE3 MET 11 -5.034 -12.897 2.470
71 H TRP 12 H TRP 12 -2.673 -7.927 1.148
72 HA TRP 12 HA TRP 12 -0.856 -9.787 -0.227
73 HB2 TRP 12 HB3 TRP 12 -1.024 -6.774 -0.472
74 HB3 TRP 12 HB2 TRP 12 -0.266 -7.885 -1.604
75 HD1 TRP 12 HD1 TRP 12 -2.828 -10.013 -1.188
76 HE1 TRP 12 HE1 TRP 12 -4.931 -9.521 -2.596
77 HE3 TRP 12 HE3 TRP 12 -2.004 -5.104 -2.306
78 HZ2 TRP 12 HZ2 TRP 12 -6.110 -7.325 -4.008
79 HZ3 TRP 12 HZ3 TRP 12 -3.630 -3.833 -3.677
80 HH2 TRP 12 HH2 TRP 12 -5.680 -4.935 -4.529
81 H GLN 13 H GLN 13 -0.551 -7.049 2.053
82 HA GLN 13 HA GLN 13 2.329 -7.114 2.060
83 HB2 GLN 13 HB3 GLN 13 2.217 -5.521 3.763
84 HB3 GLN 13 HB2 GLN 13 0.693 -5.269 2.912
85 HG2 GLN 13 HG3 GLN 13 -0.029 -5.382 5.131
86 HG3 GLN 13 HG2 GLN 13 -0.221 -7.056 4.613
87 HE21 GLN 13 HE21 GLN 13 0.252 -8.119 6.593
88 HE22 GLN 13 HE22 GLN 13 1.745 -7.981 7.392
89 H GLN 14 H GLN 14 -0.148 -8.770 3.958
90 HA GLN 14 HA GLN 14 1.632 -9.830 5.938
91 HB2 GLN 14 HB3 GLN 14 -0.158 -11.215 6.598
92 HB3 GLN 14 HB2 GLN 14 -0.964 -9.807 5.909
93 HG2 GLN 14 HG3 GLN 14 -1.012 -11.071 3.698
94 HG3 GLN 14 HG2 GLN 14 -0.526 -12.501 4.610
95 HE21 GLN 14 HE21 GLN 14 -2.745 -9.881 5.642
96 HE22 GLN 14 HE22 GLN 14 -4.093 -10.891 5.856
97 H LEU 15 H LEU 15 0.822 -10.770 2.664
98 HA LEU 15 HA LEU 15 2.239 -13.337 2.890
99 HB2 LEU 15 HB3 LEU 15 1.094 -11.870 0.493
100 HB3 LEU 15 HB2 LEU 15 1.779 -13.495 0.442
101 HG LEU 15 HG LEU 15 -0.601 -12.639 2.120
102 HD11 LEU 15 HD11 LEU 15 -1.826 -14.176 0.546
103 HD12 LEU 15 HD12 LEU 15 -0.359 -14.268 -0.427
104 HD13 LEU 15 HD13 LEU 15 -1.195 -12.726 -0.234
105 HD21 LEU 15 HD21 LEU 15 1.113 -15.055 2.017
106 HD22 LEU 15 HD22 LEU 15 -0.622 -15.363 2.017
107 HD23 LEU 15 HD23 LEU 15 0.108 -14.445 3.333
108 H GLY 16 H GLY 16 3.109 -10.113 2.539
109 HA2 GLY 16 HA3 GLY 16 5.414 -9.412 2.459
110 HA3 GLY 16 HA2 GLY 16 5.819 -10.921 1.648
111 H HIS 17 H HIS 17 3.034 -9.489 0.295
112 HA HIS 17 HA HIS 17 4.152 -9.147 -2.266
113 HB2 HIS 17 HB3 HIS 17 1.796 -7.795 -0.943
114 HB3 HIS 17 HB2 HIS 17 2.230 -7.482 -2.624
115 HD2 HIS 17 HD2 HIS 17 2.365 -11.102 -1.038
116 HE1 HIS 17 HE1 HIS 17 -0.580 -11.058 -4.065
117 HE2 HIS 17 HE2 HIS 17 0.659 -12.527 -2.408
118 H CYS 18 H CYS 18 4.167 -6.941 0.487
119 HA CYS 18 HA CYS 18 5.115 -4.643 -1.025
120 HB2 CYS 18 HB3 CYS 18 4.626 -5.329 1.808
121 HB3 CYS 18 HB2 CYS 18 5.982 -4.231 1.558
122 H GLN 19 H GLN 19 6.567 -7.204 0.919
123 HA GLN 19 HA GLN 19 9.283 -6.271 0.693
124 HB2 GLN 19 HB3 GLN 19 8.415 -7.897 2.419
125 HB3 GLN 19 HB2 GLN 19 8.300 -9.103 1.138
126 HG2 GLN 19 HG3 GLN 19 10.714 -8.884 0.699
127 HG3 GLN 19 HG2 GLN 19 10.837 -7.672 1.977
128 HE21 GLN 19 HE21 GLN 19 12.308 -10.111 2.135
129 HE22 GLN 19 HE22 GLN 19 11.684 -11.037 3.413
130 H TYR 20 H TYR 20 7.232 -8.444 -1.176
131 HA TYR 20 HA TYR 20 9.451 -9.130 -2.989
132 HB2 TYR 20 HB3 TYR 20 6.530 -9.943 -2.988
133 HB3 TYR 20 HB2 TYR 20 7.773 -10.606 -4.054
134 HD1 TYR 20 HD1 TYR 20 10.019 -11.318 -2.697
135 HD2 TYR 20 HD2 TYR 20 6.040 -11.190 -1.087
136 HE1 TYR 20 HE1 TYR 20 10.686 -12.918 -0.921
137 HE2 TYR 20 HE2 TYR 20 6.705 -12.789 0.690
138 HH TYR 20 HH TYR 20 8.642 -13.615 1.792
139 H SER 21 H SER 21 6.230 -7.556 -3.287
140 HA SER 21 HA SER 21 7.325 -6.213 -5.730
141 HB2 SER 21 HB3 SER 21 5.441 -8.098 -5.905
142 HB3 SER 21 HB2 SER 21 4.397 -6.735 -5.519
143 HG SER 21 HG SER 21 4.671 -6.855 -7.743
144 HA PRO 22 HA PRO 22 5.692 -3.098 -2.640
145 HB2 PRO 22 HB3 PRO 22 7.940 -1.513 -2.685
146 HB3 PRO 22 HB2 PRO 22 7.677 -2.821 -1.521
147 HG2 PRO 22 HG3 PRO 22 9.358 -2.765 -3.961
148 HG3 PRO 22 HG2 PRO 22 9.623 -3.599 -2.422
149 HD2 PRO 22 HD3 PRO 22 8.746 -4.857 -4.710
150 HD3 PRO 22 HD2 PRO 22 8.418 -5.451 -3.067
151 H LYS 23 H LYS 23 7.038 -3.086 -5.808
152 HA LYS 23 HA LYS 23 6.762 -0.363 -6.546
153 HB2 LYS 23 HB3 LYS 23 7.858 -2.097 -7.962
154 HB3 LYS 23 HB2 LYS 23 6.269 -2.788 -8.299
155 HG2 LYS 23 HG3 LYS 23 5.547 -0.585 -9.220
156 HG3 LYS 23 HG2 LYS 23 7.184 0.022 -8.975
157 HD2 LYS 23 HD3 LYS 23 8.017 -1.857 -10.432
158 HD3 LYS 23 HD2 LYS 23 6.331 -2.245 -10.792
159 HE2 LYS 23 HE3 LYS 23 7.426 -0.739 -12.498
160 HE3 LYS 23 HE2 LYS 23 5.966 -0.069 -11.771
161 HZ1 LYS 23 HZ1 LYS 23 7.115 1.525 -10.715
162 HZ2 LYS 23 HZ2 LYS 23 8.290 1.231 -11.907
163 HZ3 LYS 23 HZ3 LYS 23 8.435 0.517 -10.372
164 H TYR 24 H TYR 24 4.340 -2.935 -6.286
165 HA TYR 24 HA TYR 24 2.291 -1.054 -7.346
166 HB2 TYR 24 HB3 TYR 24 1.963 -3.974 -6.608
167 HB3 TYR 24 HB2 TYR 24 0.857 -2.986 -7.563
168 HD1 TYR 24 HD1 TYR 24 4.084 -4.755 -7.538
169 HD2 TYR 24 HD2 TYR 24 1.390 -2.352 -9.866
170 HE1 TYR 24 HE1 TYR 24 5.348 -5.328 -9.591
171 HE2 TYR 24 HE2 TYR 24 2.654 -2.926 -11.921
172 HH TYR 24 HH TYR 24 5.722 -4.486 -11.812
173 H MET 25 H MET 25 3.461 -2.388 -4.373
174 HA MET 25 HA MET 25 0.947 -1.965 -2.933
175 HB2 MET 25 HB3 MET 25 3.747 -2.344 -1.830
176 HB3 MET 25 HB2 MET 25 2.241 -2.466 -0.927
177 HG2 MET 25 HG3 MET 25 1.680 -4.228 -2.864
178 HG3 MET 25 HG2 MET 25 3.433 -4.367 -2.885
179 HE1 MET 25 HE1 MET 25 0.424 -5.256 0.345
180 HE2 MET 25 HE2 MET 25 0.398 -4.014 -0.905
181 HE3 MET 25 HE3 MET 25 1.220 -3.701 0.622
182 H GLY 26 H GLY 26 4.038 -0.279 -3.338
183 HA2 GLY 26 HA3 GLY 26 3.531 1.840 -1.502
184 HA3 GLY 26 HA2 GLY 26 4.626 1.946 -2.883
185 H HIS 27 H HIS 27 2.339 1.181 -4.695
186 HA HIS 27 HA HIS 27 1.303 3.925 -5.029
187 HB2 HIS 27 HB3 HIS 27 2.219 2.600 -6.966
188 HB3 HIS 27 HB2 HIS 27 0.858 1.492 -6.781
189 HD2 HIS 27 HD2 HIS 27 -1.592 2.456 -7.776
190 HE1 HIS 27 HE1 HIS 27 -0.176 6.242 -8.992
191 HE2 HIS 27 HE2 HIS 27 -2.155 4.655 -9.056
192 H TYR 28 H TYR 28 0.333 0.970 -3.639
193 HA TYR 28 HA TYR 28 -2.511 1.892 -3.657
194 HB2 TYR 28 HB3 TYR 28 -1.330 -0.829 -4.045
195 HB3 TYR 28 HB2 TYR 28 -2.886 -0.695 -3.225
196 HD1 TYR 28 HD2 TYR 28 -1.058 0.025 -6.365
197 HD2 TYR 28 HD1 TYR 28 -4.876 -0.007 -4.395
198 HE1 TYR 28 HE2 TYR 28 -2.189 0.352 -8.548
199 HE2 TYR 28 HE1 TYR 28 -6.004 0.321 -6.580
200 HH TYR 28 HH TYR 28 -4.744 1.471 -9.145
201 H CYS 29 H CYS 29 -0.150 -0.082 -1.824
202 HA CYS 29 HA CYS 29 -1.673 0.666 0.630
203 HB2 CYS 29 HB3 CYS 29 0.402 -1.511 0.468
204 HB3 CYS 29 HB2 CYS 29 -0.927 -1.333 1.613
205 H LYS 30 H LYS 30 -0.766 2.394 1.597
206 HA LYS 30 HA LYS 30 2.144 2.865 1.405
207 HB2 LYS 30 HB3 LYS 30 0.378 4.595 3.068
208 HB3 LYS 30 HB2 LYS 30 1.685 5.051 1.977
209 HG2 LYS 30 HG3 LYS 30 -1.055 4.061 1.135
210 HG3 LYS 30 HG2 LYS 30 -0.510 5.733 1.070
211 HD2 LYS 30 HD3 LYS 30 0.995 3.536 -0.360
212 HD3 LYS 30 HD2 LYS 30 -0.373 4.351 -1.108
213 HE2 LYS 30 HE3 LYS 30 2.226 5.588 -0.183
214 HE3 LYS 30 HE2 LYS 30 1.572 5.546 -1.819
215 HZ1 LYS 30 HZ1 LYS 30 1.061 7.664 -1.071
216 HZ2 LYS 30 HZ2 LYS 30 0.656 7.135 0.492
217 HZ3 LYS 30 HZ3 LYS 30 -0.383 6.816 -0.814
218 H LYS 31 H LYS 31 -0.308 2.559 3.987
219 HA LYS 31 HA LYS 31 1.569 2.427 6.144
220 HB2 LYS 31 HB3 LYS 31 -1.262 2.260 5.795
221 HB3 LYS 31 HB2 LYS 31 -0.760 0.852 6.725
222 HG2 LYS 31 HG3 LYS 31 -0.867 2.258 8.503
223 HG3 LYS 31 HG2 LYS 31 0.692 2.852 7.929
224 HD2 LYS 31 HD3 LYS 31 -0.456 4.569 6.584
225 HD3 LYS 31 HD2 LYS 31 -2.016 3.974 7.145
226 HE2 LYS 31 HE3 LYS 31 0.158 4.978 8.999
227 HE3 LYS 31 HE2 LYS 31 -1.167 5.981 8.411
228 HZ1 LYS 31 HZ1 LYS 31 -2.460 5.146 9.980
229 HZ2 LYS 31 HZ2 LYS 31 -1.178 4.191 10.556
230 HZ3 LYS 31 HZ3 LYS 31 -2.231 3.578 9.373
231 H ALA 32 H ALA 32 -0.037 -0.074 4.213
232 HA ALA 32 HA ALA 32 1.004 -2.332 5.608
233 HB1 ALA 32 HB1 ALA 32 0.621 -2.567 2.674
234 HB2 ALA 32 HB2 ALA 32 -0.774 -2.001 3.598
235 HB3 ALA 32 HB3 ALA 32 -0.038 -3.550 3.980
236 H CYS 33 H CYS 33 2.503 -0.086 3.469
237 HA CYS 33 HA CYS 33 4.811 -1.938 3.088
238 HB2 CYS 33 HB3 CYS 33 3.501 -0.072 1.349
239 HB3 CYS 33 HB2 CYS 33 5.150 0.470 1.621
240 H GLY 34 H GLY 34 6.957 -0.518 2.972
241 HA2 GLY 34 HA3 GLY 34 7.369 0.529 5.610
242 HA3 GLY 34 HA2 GLY 34 8.531 0.626 4.286
243 H LEU 35 H LEU 35 5.650 1.901 3.224
244 HA LEU 35 HA LEU 35 6.719 4.598 3.242
245 HB2 LEU 35 HB3 LEU 35 3.879 3.758 2.602
246 HB3 LEU 35 HB2 LEU 35 4.706 5.224 2.071
247 HG LEU 35 HG LEU 35 5.219 2.380 1.221
248 HD11 LEU 35 HD11 LEU 35 5.059 3.449 -1.040
249 HD12 LEU 35 HD12 LEU 35 4.630 4.960 -0.239
250 HD13 LEU 35 HD13 LEU 35 3.574 3.557 -0.096
251 HD21 LEU 35 HD21 LEU 35 7.418 3.166 1.628
252 HD22 LEU 35 HD22 LEU 35 7.032 4.784 1.044
253 HD23 LEU 35 HD23 LEU 35 7.154 3.443 -0.093
254 H CYS 36 H CYS 36 4.397 2.803 5.202
255 HA CYS 36 HA CYS 36 4.550 4.877 7.263
256 HB2 CYS 36 HB3 CYS 36 2.433 4.942 5.322
257 HB3 CYS 36 HB2 CYS 36 1.756 4.560 6.903
Start of MODEL 21
1 HA VAL 1 HA VAL 1 -1.641 11.583 4.672
2 HB VAL 1 HB VAL 1 -3.752 12.614 3.720
3 HG11 VAL 1 HG11 VAL 1 -3.790 10.110 2.016
4 HG12 VAL 1 HG12 VAL 1 -3.326 11.693 1.395
5 HG13 VAL 1 HG13 VAL 1 -4.961 11.430 2.003
6 HG21 VAL 1 HG21 VAL 1 -3.701 9.686 4.497
7 HG22 VAL 1 HG22 VAL 1 -5.185 10.635 4.392
8 HG23 VAL 1 HG23 VAL 1 -3.939 11.071 5.565
9 H CYS 2 H CYS 2 -1.701 9.279 4.938
10 HA CYS 2 HA CYS 2 -1.010 7.698 2.499
11 HB2 CYS 2 HB3 CYS 2 0.832 6.669 3.548
12 HB3 CYS 2 HB2 CYS 2 0.990 8.357 4.036
13 H GLU 3 H GLU 3 -2.288 5.913 2.339
14 HA GLU 3 HA GLU 3 -3.103 4.400 4.689
15 HB2 GLU 3 HB3 GLU 3 -5.431 4.803 4.651
16 HB3 GLU 3 HB2 GLU 3 -4.724 6.411 4.507
17 HG2 GLU 3 HG3 GLU 3 -4.958 6.243 2.023
18 HG3 GLU 3 HG2 GLU 3 -5.787 4.699 2.242
19 H ASP 4 H ASP 4 -4.272 2.421 4.051
20 HA ASP 4 HA ASP 4 -3.233 1.370 1.585
21 HB2 ASP 4 HB3 ASP 4 -4.567 -0.648 2.150
22 HB3 ASP 4 HB2 ASP 4 -3.590 -0.088 3.505
23 H LEU 5 H LEU 5 -4.060 1.544 -0.403
24 HA LEU 5 HA LEU 5 -6.624 2.835 -0.860
25 HB2 LEU 5 HB3 LEU 5 -4.657 1.478 -2.730
26 HB3 LEU 5 HB2 LEU 5 -6.086 2.356 -3.274
27 HG LEU 5 HG LEU 5 -3.803 3.508 -1.645
28 HD11 LEU 5 HD11 LEU 5 -2.865 4.082 -3.611
29 HD12 LEU 5 HD12 LEU 5 -4.377 4.799 -4.167
30 HD13 LEU 5 HD13 LEU 5 -4.069 3.082 -4.424
31 HD21 LEU 5 HD21 LEU 5 -6.530 4.470 -2.346
32 HD22 LEU 5 HD22 LEU 5 -5.220 5.638 -2.519
33 HD23 LEU 5 HD23 LEU 5 -5.517 4.872 -0.956
34 H ASN 6 H ASN 6 -5.378 -0.464 -1.052
35 HA ASN 6 HA ASN 6 -8.096 -1.433 -1.793
36 HB2 ASN 6 HB3 ASN 6 -5.320 -2.445 -2.144
37 HB3 ASN 6 HB2 ASN 6 -6.577 -3.656 -1.885
38 HD21 ASN 6 HD21 ASN 6 -4.999 -2.086 -4.343
39 HD22 ASN 6 HD22 ASN 6 -6.216 -2.107 -5.523
40 H ALA 7 H ALA 7 -9.244 -2.784 -0.403
41 HA ALA 7 HA ALA 7 -8.522 -2.761 2.400
42 HB1 ALA 7 HB1 ALA 7 -10.645 -4.374 0.950
43 HB2 ALA 7 HB2 ALA 7 -10.879 -2.782 1.671
44 HB3 ALA 7 HB3 ALA 7 -10.530 -4.171 2.697
45 H HIS 8 H HIS 8 -7.745 -4.801 -0.241
46 HA HIS 8 HA HIS 8 -7.190 -7.159 1.443
47 HB2 HIS 8 HB3 HIS 8 -6.634 -6.621 -1.491
48 HB3 HIS 8 HB2 HIS 8 -6.393 -8.168 -0.680
49 HD2 HIS 8 HD2 HIS 8 -9.377 -7.843 1.030
50 HE1 HIS 8 HE1 HIS 8 -10.950 -8.194 -2.877
51 HE2 HIS 8 HE2 HIS 8 -11.498 -8.350 -0.402
52 H CYS 9 H CYS 9 -5.712 -4.276 1.031
53 HA CYS 9 HA CYS 9 -3.039 -4.724 0.368
54 HB2 CYS 9 HB3 CYS 9 -4.406 -2.888 2.296
55 HB3 CYS 9 HB2 CYS 9 -2.646 -2.970 2.316
56 H GLU 10 H GLU 10 -4.569 -5.222 3.567
57 HA GLU 10 HA GLU 10 -2.199 -6.146 4.872
58 HB2 GLU 10 HB3 GLU 10 -4.354 -5.535 6.031
59 HB3 GLU 10 HB2 GLU 10 -5.044 -7.041 5.426
60 HG2 GLU 10 HG3 GLU 10 -3.212 -8.299 6.561
61 HG3 GLU 10 HG2 GLU 10 -2.624 -6.778 7.234
62 H MET 11 H MET 11 -4.668 -7.759 2.936
63 HA MET 11 HA MET 11 -3.808 -10.444 3.374
64 HB2 MET 11 HB3 MET 11 -5.174 -9.200 0.971
65 HB3 MET 11 HB2 MET 11 -5.020 -10.933 1.257
66 HG2 MET 11 HG3 MET 11 -6.192 -10.586 3.467
67 HG3 MET 11 HG2 MET 11 -6.501 -8.923 2.970
68 HE1 MET 11 HE1 MET 11 -8.186 -12.840 1.812
69 HE2 MET 11 HE2 MET 11 -6.534 -12.442 2.271
70 HE3 MET 11 HE3 MET 11 -6.986 -12.461 0.570
71 H TRP 12 H TRP 12 -2.690 -7.925 1.185
72 HA TRP 12 HA TRP 12 -0.938 -9.800 -0.255
73 HB2 TRP 12 HB3 TRP 12 -1.106 -6.784 -0.446
74 HB3 TRP 12 HB2 TRP 12 -0.338 -7.865 -1.600
75 HD1 TRP 12 HD1 TRP 12 -2.862 -10.037 -1.211
76 HE1 TRP 12 HE1 TRP 12 -4.977 -9.560 -2.598
77 HE3 TRP 12 HE3 TRP 12 -2.137 -5.093 -2.256
78 HZ2 TRP 12 HZ2 TRP 12 -6.203 -7.374 -3.973
79 HZ3 TRP 12 HZ3 TRP 12 -3.794 -3.837 -3.603
80 HH2 TRP 12 HH2 TRP 12 -5.827 -4.970 -4.463
81 H GLN 13 H GLN 13 -0.562 -7.098 2.039
82 HA GLN 13 HA GLN 13 2.318 -7.178 2.034
83 HB2 GLN 13 HB3 GLN 13 2.210 -5.597 3.744
84 HB3 GLN 13 HB2 GLN 13 0.669 -5.352 2.923
85 HG2 GLN 13 HG3 GLN 13 -0.012 -5.499 5.155
86 HG3 GLN 13 HG2 GLN 13 -0.208 -7.163 4.614
87 HE21 GLN 13 HE21 GLN 13 0.289 -8.235 6.596
88 HE22 GLN 13 HE22 GLN 13 1.798 -8.112 7.364
89 H GLN 14 H GLN 14 -0.165 -8.836 3.906
90 HA GLN 14 HA GLN 14 1.598 -9.932 5.880
91 HB2 GLN 14 HB3 GLN 14 -0.211 -11.324 6.503
92 HB3 GLN 14 HB2 GLN 14 -0.976 -9.860 5.884
93 HG2 GLN 14 HG3 GLN 14 -1.114 -11.026 3.632
94 HG3 GLN 14 HG2 GLN 14 -0.640 -12.509 4.461
95 HE21 GLN 14 HE21 GLN 14 -2.747 -9.901 5.728
96 HE22 GLN 14 HE22 GLN 14 -4.120 -10.882 5.908
97 H LEU 15 H LEU 15 0.866 -10.767 2.585
98 HA LEU 15 HA LEU 15 2.248 -13.365 2.789
99 HB2 LEU 15 HB3 LEU 15 1.042 -11.891 0.431
100 HB3 LEU 15 HB2 LEU 15 1.731 -13.513 0.351
101 HG LEU 15 HG LEU 15 -0.604 -12.669 2.097
102 HD11 LEU 15 HD11 LEU 15 -1.865 -13.066 0.277
103 HD12 LEU 15 HD12 LEU 15 -1.281 -14.729 0.276
104 HD13 LEU 15 HD13 LEU 15 -0.432 -13.496 -0.658
105 HD21 LEU 15 HD21 LEU 15 1.012 -15.183 1.818
106 HD22 LEU 15 HD22 LEU 15 -0.711 -15.315 2.172
107 HD23 LEU 15 HD23 LEU 15 0.351 -14.439 3.273
108 H GLY 16 H GLY 16 3.087 -10.143 2.464
109 HA2 GLY 16 HA3 GLY 16 5.372 -9.409 2.350
110 HA3 GLY 16 HA2 GLY 16 5.792 -10.911 1.532
111 H HIS 17 H HIS 17 2.969 -9.464 0.238
112 HA HIS 17 HA HIS 17 4.036 -9.136 -2.343
113 HB2 HIS 17 HB3 HIS 17 1.743 -7.708 -0.983
114 HB3 HIS 17 HB2 HIS 17 2.128 -7.484 -2.691
115 HD2 HIS 17 HD2 HIS 17 2.353 -11.040 -1.016
116 HE1 HIS 17 HE1 HIS 17 -0.813 -11.092 -3.809
117 HE2 HIS 17 HE2 HIS 17 0.572 -12.514 -2.228
118 H CYS 18 H CYS 18 4.199 -6.985 0.425
119 HA CYS 18 HA CYS 18 5.150 -4.688 -1.098
120 HB2 CYS 18 HB3 CYS 18 4.710 -5.378 1.744
121 HB3 CYS 18 HB2 CYS 18 6.078 -4.305 1.462
122 H GLN 19 H GLN 19 6.580 -7.300 0.801
123 HA GLN 19 HA GLN 19 9.306 -6.411 0.497
124 HB2 GLN 19 HB3 GLN 19 8.446 -8.020 2.256
125 HB3 GLN 19 HB2 GLN 19 8.334 -9.240 0.989
126 HG2 GLN 19 HG3 GLN 19 10.768 -8.874 0.501
127 HG3 GLN 19 HG2 GLN 19 10.839 -7.806 1.906
128 HE21 GLN 19 HE21 GLN 19 8.567 -10.041 2.764
129 HE22 GLN 19 HE22 GLN 19 9.560 -11.190 3.528
130 H TYR 20 H TYR 20 7.186 -8.599 -1.293
131 HA TYR 20 HA TYR 20 9.339 -9.328 -3.161
132 HB2 TYR 20 HB3 TYR 20 6.385 -10.001 -3.104
133 HB3 TYR 20 HB2 TYR 20 7.538 -10.650 -4.272
134 HD1 TYR 20 HD2 TYR 20 9.735 -11.704 -3.198
135 HD2 TYR 20 HD1 TYR 20 5.998 -11.205 -1.143
136 HE1 TYR 20 HE2 TYR 20 10.394 -13.458 -1.574
137 HE2 TYR 20 HE1 TYR 20 6.656 -12.957 0.484
138 HH TYR 20 HH TYR 20 8.458 -14.137 1.282
139 H SER 21 H SER 21 6.215 -7.558 -3.377
140 HA SER 21 HA SER 21 7.343 -6.210 -5.798
141 HB2 SER 21 HB3 SER 21 5.453 -8.047 -6.077
142 HB3 SER 21 HB2 SER 21 4.402 -6.717 -5.600
143 HG SER 21 HG SER 21 4.770 -6.865 -7.885
144 HA PRO 22 HA PRO 22 5.737 -3.121 -2.667
145 HB2 PRO 22 HB3 PRO 22 8.018 -1.584 -2.642
146 HB3 PRO 22 HB2 PRO 22 7.713 -2.914 -1.513
147 HG2 PRO 22 HG3 PRO 22 9.433 -2.839 -3.927
148 HG3 PRO 22 HG2 PRO 22 9.655 -3.716 -2.405
149 HD2 PRO 22 HD3 PRO 22 8.781 -4.894 -4.740
150 HD3 PRO 22 HD2 PRO 22 8.426 -5.527 -3.119
151 H LYS 23 H LYS 23 7.100 -3.104 -5.819
152 HA LYS 23 HA LYS 23 6.951 -0.369 -6.538
153 HB2 LYS 23 HB3 LYS 23 6.413 -2.831 -8.227
154 HB3 LYS 23 HB2 LYS 23 6.665 -1.206 -8.867
155 HG2 LYS 23 HG3 LYS 23 8.895 -1.153 -7.757
156 HG3 LYS 23 HG2 LYS 23 8.642 -2.816 -7.228
157 HD2 LYS 23 HD3 LYS 23 8.367 -3.489 -9.621
158 HD3 LYS 23 HD2 LYS 23 8.767 -1.836 -10.098
159 HE2 LYS 23 HE3 LYS 23 10.674 -3.624 -10.030
160 HE3 LYS 23 HE2 LYS 23 10.984 -2.023 -9.357
161 HZ1 LYS 23 HZ1 LYS 23 11.635 -3.981 -7.934
162 HZ2 LYS 23 HZ2 LYS 23 9.973 -4.270 -7.713
163 HZ3 LYS 23 HZ3 LYS 23 10.664 -2.809 -7.185
164 H TYR 24 H TYR 24 4.386 -2.794 -6.237
165 HA TYR 24 HA TYR 24 2.455 -0.747 -7.232
166 HB2 TYR 24 HB3 TYR 24 1.944 -3.687 -6.714
167 HB3 TYR 24 HB2 TYR 24 0.911 -2.561 -7.596
168 HD1 TYR 24 HD2 TYR 24 1.580 -1.715 -9.829
169 HD2 TYR 24 HD1 TYR 24 3.938 -4.618 -7.717
170 HE1 TYR 24 HE2 TYR 24 2.810 -2.238 -11.918
171 HE2 TYR 24 HE1 TYR 24 5.168 -5.140 -9.808
172 HH TYR 24 HH TYR 24 4.162 -3.852 -12.902
173 H MET 25 H MET 25 3.484 -2.408 -4.342
174 HA MET 25 HA MET 25 1.000 -1.969 -2.885
175 HB2 MET 25 HB3 MET 25 3.798 -2.404 -1.799
176 HB3 MET 25 HB2 MET 25 2.299 -2.511 -0.880
177 HG2 MET 25 HG3 MET 25 1.682 -4.240 -2.824
178 HG3 MET 25 HG2 MET 25 3.434 -4.400 -2.886
179 HE1 MET 25 HE1 MET 25 0.465 -5.331 0.367
180 HE2 MET 25 HE2 MET 25 0.449 -4.024 -0.817
181 HE3 MET 25 HE3 MET 25 1.290 -3.805 0.719
182 H GLY 26 H GLY 26 4.121 -0.297 -3.141
183 HA2 GLY 26 HA3 GLY 26 3.588 1.744 -1.244
184 HA3 GLY 26 HA2 GLY 26 4.701 1.909 -2.604
185 H HIS 27 H HIS 27 2.471 1.236 -4.493
186 HA HIS 27 HA HIS 27 1.429 3.981 -4.728
187 HB2 HIS 27 HB3 HIS 27 2.370 2.770 -6.706
188 HB3 HIS 27 HB2 HIS 27 1.044 1.614 -6.579
189 HD2 HIS 27 HD2 HIS 27 -1.374 2.489 -7.669
190 HE1 HIS 27 HE1 HIS 27 -0.194 6.458 -8.490
191 HE2 HIS 27 HE2 HIS 27 -2.040 4.745 -8.791
192 H TYR 28 H TYR 28 0.416 0.942 -3.539
193 HA TYR 28 HA TYR 28 -2.423 1.877 -3.565
194 HB2 TYR 28 HB3 TYR 28 -1.218 -0.828 -3.974
195 HB3 TYR 28 HB2 TYR 28 -2.789 -0.718 -3.179
196 HD1 TYR 28 HD2 TYR 28 -0.910 0.127 -6.271
197 HD2 TYR 28 HD1 TYR 28 -4.765 -0.116 -4.385
198 HE1 TYR 28 HE2 TYR 28 -2.010 0.439 -8.472
199 HE2 TYR 28 HE1 TYR 28 -5.862 0.194 -6.587
200 HH TYR 28 HH TYR 28 -5.072 -0.308 -9.117
201 H CYS 29 H CYS 29 -0.151 -0.202 -1.743
202 HA CYS 29 HA CYS 29 -1.676 0.511 0.712
203 HB2 CYS 29 HB3 CYS 29 0.469 -1.593 0.539
204 HB3 CYS 29 HB2 CYS 29 -0.875 -1.477 1.672
205 H LYS 30 H LYS 30 -0.805 2.271 1.710
206 HA LYS 30 HA LYS 30 2.095 2.782 1.502
207 HB2 LYS 30 HB3 LYS 30 0.312 4.461 3.209
208 HB3 LYS 30 HB2 LYS 30 1.641 4.950 2.161
209 HG2 LYS 30 HG3 LYS 30 -1.086 3.997 1.227
210 HG3 LYS 30 HG2 LYS 30 -0.528 5.667 1.222
211 HD2 LYS 30 HD3 LYS 30 1.086 3.573 -0.209
212 HD3 LYS 30 HD2 LYS 30 -0.357 4.228 -0.973
213 HE2 LYS 30 HE3 LYS 30 1.978 5.857 0.067
214 HE3 LYS 30 HE2 LYS 30 1.635 5.519 -1.629
215 HZ1 LYS 30 HZ1 LYS 30 0.255 7.307 0.225
216 HZ2 LYS 30 HZ2 LYS 30 -0.690 6.505 -0.937
217 HZ3 LYS 30 HZ3 LYS 30 0.591 7.505 -1.425
218 H LYS 31 H LYS 31 -0.298 2.450 4.144
219 HA LYS 31 HA LYS 31 1.624 2.279 6.255
220 HB2 LYS 31 HB3 LYS 31 -1.189 1.211 5.952
221 HB3 LYS 31 HB2 LYS 31 -0.279 1.092 7.453
222 HG2 LYS 31 HG3 LYS 31 -0.305 3.378 7.822
223 HG3 LYS 31 HG2 LYS 31 -0.450 3.757 6.104
224 HD2 LYS 31 HD3 LYS 31 -2.606 4.216 6.790
225 HD3 LYS 31 HD2 LYS 31 -2.790 2.511 6.394
226 HE2 LYS 31 HE3 LYS 31 -2.207 3.628 9.148
227 HE3 LYS 31 HE2 LYS 31 -3.764 3.007 8.600
228 HZ1 LYS 31 HZ1 LYS 31 -2.986 1.103 9.467
229 HZ2 LYS 31 HZ2 LYS 31 -1.358 1.577 9.356
230 HZ3 LYS 31 HZ3 LYS 31 -2.162 0.969 7.988
231 H ALA 32 H ALA 32 -0.064 -0.226 4.406
232 HA ALA 32 HA ALA 32 1.047 -2.484 5.678
233 HB1 ALA 32 HB1 ALA 32 -0.726 -2.120 3.673
234 HB2 ALA 32 HB2 ALA 32 0.029 -3.668 4.015
235 HB3 ALA 32 HB3 ALA 32 0.676 -2.643 2.739
236 H CYS 33 H CYS 33 2.495 -0.191 3.522
237 HA CYS 33 HA CYS 33 4.852 -1.989 3.176
238 HB2 CYS 33 HB3 CYS 33 3.511 -0.191 1.410
239 HB3 CYS 33 HB2 CYS 33 5.122 0.449 1.718
240 H GLY 34 H GLY 34 6.915 -0.314 2.947
241 HA2 GLY 34 HA3 GLY 34 7.240 0.697 5.651
242 HA3 GLY 34 HA2 GLY 34 8.449 0.773 4.374
243 H LEU 35 H LEU 35 5.469 2.009 3.331
244 HA LEU 35 HA LEU 35 6.572 4.701 3.200
245 HB2 LEU 35 HB3 LEU 35 3.719 3.837 2.666
246 HB3 LEU 35 HB2 LEU 35 4.513 5.295 2.077
247 HG LEU 35 HG LEU 35 5.004 2.436 1.264
248 HD11 LEU 35 HD11 LEU 35 4.847 3.547 -1.012
249 HD12 LEU 35 HD12 LEU 35 4.353 5.015 -0.167
250 HD13 LEU 35 HD13 LEU 35 3.363 3.562 -0.059
251 HD21 LEU 35 HD21 LEU 35 6.833 4.828 0.977
252 HD22 LEU 35 HD22 LEU 35 6.934 3.427 -0.092
253 HD23 LEU 35 HD23 LEU 35 7.221 3.239 1.636
254 H CYS 36 H CYS 36 4.217 3.016 5.215
255 HA CYS 36 HA CYS 36 4.322 5.321 7.086
256 HB2 CYS 36 HB3 CYS 36 1.973 4.409 5.577
257 HB3 CYS 36 HB2 CYS 36 1.700 4.479 7.319
Start of MODEL 22
1 HA VAL 1 HA VAL 1 -0.674 11.517 4.702
2 HB VAL 1 HB VAL 1 -2.076 10.675 6.406
3 HG11 VAL 1 HG11 VAL 1 -4.054 12.568 5.193
4 HG12 VAL 1 HG12 VAL 1 -2.440 13.172 5.568
5 HG13 VAL 1 HG13 VAL 1 -3.445 12.493 6.848
6 HG21 VAL 1 HG21 VAL 1 -3.370 9.051 5.240
7 HG22 VAL 1 HG22 VAL 1 -4.069 10.264 4.170
8 HG23 VAL 1 HG23 VAL 1 -4.546 10.203 5.867
9 H CYS 2 H CYS 2 -0.732 9.011 5.507
10 HA CYS 2 HA CYS 2 -0.667 7.438 2.974
11 HB2 CYS 2 HB3 CYS 2 0.492 5.996 5.126
12 HB3 CYS 2 HB2 CYS 2 1.320 6.717 3.742
13 H GLU 3 H GLU 3 -2.042 5.726 2.725
14 HA GLU 3 HA GLU 3 -3.131 4.295 5.011
15 HB2 GLU 3 HB3 GLU 3 -5.395 4.938 4.875
16 HB3 GLU 3 HB2 GLU 3 -4.526 6.466 4.755
17 HG2 GLU 3 HG3 GLU 3 -4.637 6.231 2.242
18 HG3 GLU 3 HG2 GLU 3 -5.709 4.852 2.482
19 H ASP 4 H ASP 4 -4.292 2.391 4.346
20 HA ASP 4 HA ASP 4 -3.327 1.252 1.913
21 HB2 ASP 4 HB3 ASP 4 -4.878 -0.605 2.410
22 HB3 ASP 4 HB2 ASP 4 -3.963 -0.126 3.842
23 H LEU 5 H LEU 5 -4.278 1.040 -0.102
24 HA LEU 5 HA LEU 5 -6.724 2.689 -0.538
25 HB2 LEU 5 HB3 LEU 5 -4.657 1.660 -2.508
26 HB3 LEU 5 HB2 LEU 5 -6.025 2.696 -2.913
27 HG LEU 5 HG LEU 5 -3.811 3.415 -0.965
28 HD11 LEU 5 HD11 LEU 5 -2.646 4.007 -2.801
29 HD12 LEU 5 HD12 LEU 5 -3.906 5.186 -3.162
30 HD13 LEU 5 HD13 LEU 5 -3.994 3.564 -3.848
31 HD21 LEU 5 HD21 LEU 5 -6.411 4.633 -1.729
32 HD22 LEU 5 HD22 LEU 5 -5.041 5.739 -1.627
33 HD23 LEU 5 HD23 LEU 5 -5.502 4.773 -0.224
34 H ASN 6 H ASN 6 -5.405 -0.539 -0.814
35 HA ASN 6 HA ASN 6 -7.935 -1.469 -2.088
36 HB2 ASN 6 HB3 ASN 6 -5.647 -2.123 -3.054
37 HB3 ASN 6 HB2 ASN 6 -5.453 -3.129 -1.618
38 HD21 ASN 6 HD21 ASN 6 -7.570 -2.629 -4.467
39 HD22 ASN 6 HD22 ASN 6 -8.208 -4.201 -4.465
40 H ALA 7 H ALA 7 -9.217 -3.021 -1.022
41 HA ALA 7 HA ALA 7 -9.051 -3.049 1.863
42 HB1 ALA 7 HB1 ALA 7 -11.243 -3.357 1.182
43 HB2 ALA 7 HB2 ALA 7 -10.771 -5.042 1.414
44 HB3 ALA 7 HB3 ALA 7 -10.782 -4.343 -0.205
45 H HIS 8 H HIS 8 -7.627 -4.932 -0.638
46 HA HIS 8 HA HIS 8 -7.066 -7.208 1.177
47 HB2 HIS 8 HB3 HIS 8 -6.309 -6.767 -1.729
48 HB3 HIS 8 HB2 HIS 8 -6.072 -8.258 -0.821
49 HD2 HIS 8 HD2 HIS 8 -9.309 -7.575 0.545
50 HE1 HIS 8 HE1 HIS 8 -10.343 -8.919 -3.323
51 HE2 HIS 8 HE2 HIS 8 -11.224 -8.460 -0.990
52 H CYS 9 H CYS 9 -5.818 -4.276 1.077
53 HA CYS 9 HA CYS 9 -3.080 -4.487 0.452
54 HB2 CYS 9 HB3 CYS 9 -4.684 -2.796 2.306
55 HB3 CYS 9 HB2 CYS 9 -2.935 -2.805 2.528
56 H GLU 10 H GLU 10 -4.675 -5.177 3.591
57 HA GLU 10 HA GLU 10 -2.280 -5.979 4.937
58 HB2 GLU 10 HB3 GLU 10 -4.502 -5.518 6.051
59 HB3 GLU 10 HB2 GLU 10 -5.068 -7.066 5.421
60 HG2 GLU 10 HG3 GLU 10 -3.199 -8.208 6.594
61 HG3 GLU 10 HG2 GLU 10 -2.704 -6.658 7.278
62 H MET 11 H MET 11 -4.641 -7.766 2.997
63 HA MET 11 HA MET 11 -3.561 -10.372 3.409
64 HB2 MET 11 HB3 MET 11 -4.985 -9.219 0.992
65 HB3 MET 11 HB2 MET 11 -4.715 -10.938 1.283
66 HG2 MET 11 HG3 MET 11 -5.967 -10.697 3.452
67 HG3 MET 11 HG2 MET 11 -6.356 -9.043 2.985
68 HE1 MET 11 HE1 MET 11 -6.170 -12.541 2.185
69 HE2 MET 11 HE2 MET 11 -6.554 -12.508 0.466
70 HE3 MET 11 HE3 MET 11 -7.777 -13.019 1.625
71 H TRP 12 H TRP 12 -2.804 -7.838 1.053
72 HA TRP 12 HA TRP 12 -0.886 -9.466 -0.382
73 HB2 TRP 12 HB3 TRP 12 -1.242 -6.463 -0.310
74 HB3 TRP 12 HB2 TRP 12 -0.273 -7.345 -1.485
75 HD1 TRP 12 HD1 TRP 12 -2.712 -9.735 -1.416
76 HE1 TRP 12 HE1 TRP 12 -4.705 -9.294 -2.989
77 HE3 TRP 12 HE3 TRP 12 -2.122 -4.725 -2.204
78 HZ2 TRP 12 HZ2 TRP 12 -5.889 -7.103 -4.401
79 HZ3 TRP 12 HZ3 TRP 12 -3.694 -3.487 -3.662
80 HH2 TRP 12 HH2 TRP 12 -5.575 -4.670 -4.762
81 H GLN 13 H GLN 13 -0.599 -6.947 2.120
82 HA GLN 13 HA GLN 13 2.279 -7.003 2.122
83 HB2 GLN 13 HB3 GLN 13 2.146 -5.478 3.856
84 HB3 GLN 13 HB2 GLN 13 0.559 -5.265 3.120
85 HG2 GLN 13 HG3 GLN 13 0.001 -5.517 5.370
86 HG3 GLN 13 HG2 GLN 13 -0.158 -7.166 4.782
87 HE21 GLN 13 HE21 GLN 13 0.602 -8.451 6.488
88 HE22 GLN 13 HE22 GLN 13 2.096 -8.231 7.265
89 H GLN 14 H GLN 14 -0.204 -8.806 3.896
90 HA GLN 14 HA GLN 14 1.656 -10.048 5.713
91 HB2 GLN 14 HB3 GLN 14 -0.136 -11.309 6.478
92 HB3 GLN 14 HB2 GLN 14 -0.972 -9.919 5.792
93 HG2 GLN 14 HG3 GLN 14 -1.137 -11.268 3.630
94 HG3 GLN 14 HG2 GLN 14 -0.629 -12.665 4.576
95 HE21 GLN 14 HE21 GLN 14 -2.750 -9.955 5.604
96 HE22 GLN 14 HE22 GLN 14 -4.101 -10.930 5.931
97 H LEU 15 H LEU 15 0.598 -10.721 2.436
98 HA LEU 15 HA LEU 15 1.890 -13.354 2.365
99 HB2 LEU 15 HB3 LEU 15 0.781 -11.543 0.210
100 HB3 LEU 15 HB2 LEU 15 1.449 -13.145 -0.109
101 HG LEU 15 HG LEU 15 -0.814 -12.615 1.834
102 HD11 LEU 15 HD11 LEU 15 -2.271 -13.553 0.064
103 HD12 LEU 15 HD12 LEU 15 -0.889 -13.601 -1.032
104 HD13 LEU 15 HD13 LEU 15 -1.506 -12.052 -0.454
105 HD21 LEU 15 HD21 LEU 15 -0.184 -14.702 2.476
106 HD22 LEU 15 HD22 LEU 15 0.786 -14.954 1.026
107 HD23 LEU 15 HD23 LEU 15 -0.956 -15.224 0.978
108 H GLY 16 H GLY 16 3.002 -10.191 2.381
109 HA2 GLY 16 HA3 GLY 16 5.318 -9.593 2.288
110 HA3 GLY 16 HA2 GLY 16 5.641 -11.076 1.393
111 H HIS 17 H HIS 17 2.964 -9.177 0.257
112 HA HIS 17 HA HIS 17 4.077 -8.865 -2.340
113 HB2 HIS 17 HB3 HIS 17 1.838 -7.440 -0.907
114 HB3 HIS 17 HB2 HIS 17 2.309 -6.990 -2.547
115 HD2 HIS 17 HD2 HIS 17 2.101 -10.742 -1.281
116 HE1 HIS 17 HE1 HIS 17 -0.669 -10.207 -4.424
117 HE2 HIS 17 HE2 HIS 17 0.377 -11.907 -2.858
118 H CYS 18 H CYS 18 4.350 -6.862 0.540
119 HA CYS 18 HA CYS 18 5.500 -4.601 -0.909
120 HB2 CYS 18 HB3 CYS 18 5.159 -5.345 1.982
121 HB3 CYS 18 HB2 CYS 18 6.295 -4.067 1.552
122 H GLN 19 H GLN 19 6.664 -7.333 0.982
123 HA GLN 19 HA GLN 19 9.462 -6.670 0.790
124 HB2 GLN 19 HB3 GLN 19 8.442 -8.268 2.459
125 HB3 GLN 19 HB2 GLN 19 8.203 -9.408 1.136
126 HG2 GLN 19 HG3 GLN 19 10.612 -9.436 0.688
127 HG3 GLN 19 HG2 GLN 19 10.878 -8.252 1.970
128 HE21 GLN 19 HE21 GLN 19 12.200 -10.668 2.268
129 HE22 GLN 19 HE22 GLN 19 11.463 -11.603 3.476
130 H TYR 20 H TYR 20 7.164 -8.418 -1.199
131 HA TYR 20 HA TYR 20 9.322 -9.194 -3.082
132 HB2 TYR 20 HB3 TYR 20 6.397 -9.982 -2.981
133 HB3 TYR 20 HB2 TYR 20 7.592 -10.631 -4.104
134 HD1 TYR 20 HD1 TYR 20 9.913 -11.301 -2.765
135 HD2 TYR 20 HD2 TYR 20 5.921 -11.373 -1.171
136 HE1 TYR 20 HE1 TYR 20 10.626 -12.943 -1.054
137 HE2 TYR 20 HE2 TYR 20 6.638 -13.018 0.542
138 HH TYR 20 HH TYR 20 8.868 -13.638 1.671
139 H SER 21 H SER 21 6.135 -7.543 -3.134
140 HA SER 21 HA SER 21 7.066 -6.210 -5.650
141 HB2 SER 21 HB3 SER 21 4.887 -7.919 -5.356
142 HB3 SER 21 HB2 SER 21 4.172 -6.310 -5.344
143 HG SER 21 HG SER 21 5.971 -6.220 -7.205
144 HA PRO 22 HA PRO 22 6.034 -3.012 -2.392
145 HB2 PRO 22 HB3 PRO 22 8.394 -1.618 -2.720
146 HB3 PRO 22 HB2 PRO 22 8.150 -2.885 -1.504
147 HG2 PRO 22 HG3 PRO 22 9.564 -3.001 -4.100
148 HG3 PRO 22 HG2 PRO 22 9.902 -3.854 -2.588
149 HD2 PRO 22 HD3 PRO 22 8.687 -5.017 -4.772
150 HD3 PRO 22 HD2 PRO 22 8.483 -5.591 -3.102
151 H LYS 23 H LYS 23 7.263 -3.010 -5.648
152 HA LYS 23 HA LYS 23 6.912 -0.269 -6.319
153 HB2 LYS 23 HB3 LYS 23 6.665 -2.739 -8.059
154 HB3 LYS 23 HB2 LYS 23 6.806 -1.088 -8.662
155 HG2 LYS 23 HG3 LYS 23 8.972 -0.866 -7.446
156 HG3 LYS 23 HG2 LYS 23 8.847 -2.561 -6.970
157 HD2 LYS 23 HD3 LYS 23 8.714 -3.163 -9.411
158 HD3 LYS 23 HD2 LYS 23 9.043 -1.473 -9.792
159 HE2 LYS 23 HE3 LYS 23 11.196 -2.356 -9.835
160 HE3 LYS 23 HE2 LYS 23 11.089 -1.816 -8.159
161 HZ1 LYS 23 HZ1 LYS 23 10.444 -4.563 -9.077
162 HZ2 LYS 23 HZ2 LYS 23 10.520 -4.016 -7.470
163 HZ3 LYS 23 HZ3 LYS 23 11.934 -4.108 -8.407
164 H TYR 24 H TYR 24 4.562 -2.933 -6.154
165 HA TYR 24 HA TYR 24 2.496 -1.070 -7.237
166 HB2 TYR 24 HB3 TYR 24 2.176 -4.008 -6.591
167 HB3 TYR 24 HB2 TYR 24 1.127 -3.005 -7.593
168 HD1 TYR 24 HD1 TYR 24 4.357 -4.761 -7.407
169 HD2 TYR 24 HD2 TYR 24 1.777 -2.352 -9.847
170 HE1 TYR 24 HE1 TYR 24 5.718 -5.326 -9.403
171 HE2 TYR 24 HE2 TYR 24 3.138 -2.909 -11.843
172 HH TYR 24 HH TYR 24 6.199 -4.357 -11.634
173 H MET 25 H MET 25 3.576 -2.573 -4.292
174 HA MET 25 HA MET 25 1.028 -2.258 -2.896
175 HB2 MET 25 HB3 MET 25 3.863 -2.629 -1.878
176 HB3 MET 25 HB2 MET 25 2.433 -2.610 -0.849
177 HG2 MET 25 HG3 MET 25 2.834 -4.519 -3.170
178 HG3 MET 25 HG2 MET 25 3.160 -4.926 -1.486
179 HE1 MET 25 HE1 MET 25 1.733 -4.298 0.268
180 HE2 MET 25 HE2 MET 25 0.739 -5.747 0.256
181 HE3 MET 25 HE3 MET 25 -0.028 -4.161 0.273
182 H GLY 26 H GLY 26 4.009 -0.391 -3.262
183 HA2 GLY 26 HA3 GLY 26 3.381 1.673 -1.394
184 HA3 GLY 26 HA2 GLY 26 4.493 1.843 -2.754
185 H HIS 27 H HIS 27 2.270 1.013 -4.622
186 HA HIS 27 HA HIS 27 1.189 3.722 -4.992
187 HB2 HIS 27 HB3 HIS 27 2.053 2.363 -6.910
188 HB3 HIS 27 HB2 HIS 27 0.721 1.234 -6.656
189 HD2 HIS 27 HD2 HIS 27 -1.910 2.415 -7.122
190 HE1 HIS 27 HE1 HIS 27 -0.392 5.716 -9.270
191 HE2 HIS 27 HE2 HIS 27 -2.495 4.430 -8.669
192 H TYR 28 H TYR 28 0.227 0.889 -3.410
193 HA TYR 28 HA TYR 28 -2.601 1.843 -3.432
194 HB2 TYR 28 HB3 TYR 28 -1.498 -0.921 -3.788
195 HB3 TYR 28 HB2 TYR 28 -3.085 -0.701 -3.042
196 HD1 TYR 28 HD1 TYR 28 -4.942 0.283 -4.287
197 HD2 TYR 28 HD2 TYR 28 -1.106 -0.316 -6.120
198 HE1 TYR 28 HE1 TYR 28 -5.951 0.671 -6.515
199 HE2 TYR 28 HE2 TYR 28 -2.113 0.065 -8.354
200 HH TYR 28 HH TYR 28 -4.601 1.550 -9.014
201 H CYS 29 H CYS 29 -0.198 -0.099 -1.628
202 HA CYS 29 HA CYS 29 -1.698 0.628 0.847
203 HB2 CYS 29 HB3 CYS 29 0.414 -1.512 0.669
204 HB3 CYS 29 HB2 CYS 29 -0.901 -1.352 1.834
205 H LYS 30 H LYS 30 -0.775 2.376 1.820
206 HA LYS 30 HA LYS 30 2.108 2.882 1.471
207 HB2 LYS 30 HB3 LYS 30 0.418 4.561 3.270
208 HB3 LYS 30 HB2 LYS 30 1.672 5.054 2.137
209 HG2 LYS 30 HG3 LYS 30 -1.127 4.127 1.437
210 HG3 LYS 30 HG2 LYS 30 -0.499 5.765 1.285
211 HD2 LYS 30 HD3 LYS 30 0.825 3.469 -0.159
212 HD3 LYS 30 HD2 LYS 30 -0.575 4.287 -0.844
213 HE2 LYS 30 HE3 LYS 30 2.015 5.627 -0.015
214 HE3 LYS 30 HE2 LYS 30 1.509 5.300 -1.671
215 HZ1 LYS 30 HZ1 LYS 30 0.333 7.181 0.274
216 HZ2 LYS 30 HZ2 LYS 30 -0.566 6.615 -1.052
217 HZ3 LYS 30 HZ3 LYS 30 0.870 7.486 -1.305
218 H LYS 31 H LYS 31 -0.159 2.561 4.205
219 HA LYS 31 HA LYS 31 1.853 2.389 6.224
220 HB2 LYS 31 HB3 LYS 31 -1.019 1.479 6.074
221 HB3 LYS 31 HB2 LYS 31 -0.046 1.268 7.530
222 HG2 LYS 31 HG3 LYS 31 0.154 3.562 7.895
223 HG3 LYS 31 HG2 LYS 31 -0.145 3.958 6.205
224 HD2 LYS 31 HD3 LYS 31 -2.230 4.475 6.926
225 HD3 LYS 31 HD2 LYS 31 -2.499 2.735 6.893
226 HE2 LYS 31 HE3 LYS 31 -3.169 3.707 9.063
227 HE3 LYS 31 HE2 LYS 31 -1.825 2.580 9.257
228 HZ1 LYS 31 HZ1 LYS 31 -0.298 4.365 9.398
229 HZ2 LYS 31 HZ2 LYS 31 -1.576 4.741 10.451
230 HZ3 LYS 31 HZ3 LYS 31 -1.467 5.505 8.939
231 H ALA 32 H ALA 32 0.000 -0.125 4.526
232 HA ALA 32 HA ALA 32 1.178 -2.358 5.805
233 HB1 ALA 32 HB1 ALA 32 0.596 -2.699 2.931
234 HB2 ALA 32 HB2 ALA 32 -0.728 -2.014 3.875
235 HB3 ALA 32 HB3 ALA 32 -0.044 -3.570 4.325
236 H CYS 33 H CYS 33 2.464 -0.150 3.471
237 HA CYS 33 HA CYS 33 4.783 -1.973 3.000
238 HB2 CYS 33 HB3 CYS 33 3.311 -0.225 1.284
239 HB3 CYS 33 HB2 CYS 33 4.943 0.409 1.436
240 H GLY 34 H GLY 34 6.814 -0.325 2.534
241 HA2 GLY 34 HA3 GLY 34 7.356 0.817 5.159
242 HA3 GLY 34 HA2 GLY 34 8.472 0.784 3.794
243 H LEU 35 H LEU 35 5.226 2.125 3.405
244 HA LEU 35 HA LEU 35 6.535 4.747 2.894
245 HB2 LEU 35 HB3 LEU 35 3.646 3.971 2.441
246 HB3 LEU 35 HB2 LEU 35 4.489 5.364 1.771
247 HG LEU 35 HG LEU 35 4.857 2.453 1.089
248 HD11 LEU 35 HD11 LEU 35 3.221 3.511 -0.271
249 HD12 LEU 35 HD12 LEU 35 4.691 3.493 -1.243
250 HD13 LEU 35 HD13 LEU 35 4.189 4.973 -0.430
251 HD21 LEU 35 HD21 LEU 35 6.758 3.369 -0.394
252 HD22 LEU 35 HD22 LEU 35 7.106 3.160 1.322
253 HD23 LEU 35 HD23 LEU 35 6.752 4.766 0.679
254 H CYS 36 H CYS 36 4.410 3.127 5.123
255 HA CYS 36 HA CYS 36 4.631 5.329 7.007
256 HB2 CYS 36 HB3 CYS 36 2.470 5.351 5.149
257 HB3 CYS 36 HB2 CYS 36 1.806 5.002 6.745
Start of MODEL 23
1 HA VAL 1 HA VAL 1 -1.349 10.880 5.073
2 HB VAL 1 HB VAL 1 -2.375 11.873 2.429
3 HG11 VAL 1 HG11 VAL 1 -4.600 10.767 3.324
4 HG12 VAL 1 HG12 VAL 1 -3.488 9.655 4.118
5 HG13 VAL 1 HG13 VAL 1 -3.469 9.817 2.362
6 HG21 VAL 1 HG21 VAL 1 -3.669 13.276 3.742
7 HG22 VAL 1 HG22 VAL 1 -2.285 13.062 4.811
8 HG23 VAL 1 HG23 VAL 1 -3.754 12.125 5.073
9 H CYS 2 H CYS 2 -0.604 8.812 5.284
10 HA CYS 2 HA CYS 2 -0.342 7.150 2.823
11 HB2 CYS 2 HB3 CYS 2 0.517 5.657 5.022
12 HB3 CYS 2 HB2 CYS 2 1.553 6.492 3.864
13 H GLU 3 H GLU 3 -1.808 5.520 2.463
14 HA GLU 3 HA GLU 3 -3.267 4.296 4.681
15 HB2 GLU 3 HB3 GLU 3 -5.471 4.997 4.080
16 HB3 GLU 3 HB2 GLU 3 -4.503 6.467 4.163
17 HG2 GLU 3 HG3 GLU 3 -4.155 6.305 1.682
18 HG3 GLU 3 HG2 GLU 3 -5.282 4.948 1.659
19 H ASP 4 H ASP 4 -4.648 2.492 3.895
20 HA ASP 4 HA ASP 4 -3.366 1.207 1.609
21 HB2 ASP 4 HB3 ASP 4 -4.851 -0.705 2.170
22 HB3 ASP 4 HB2 ASP 4 -3.902 -0.155 3.551
23 H LEU 5 H LEU 5 -4.061 1.439 -0.428
24 HA LEU 5 HA LEU 5 -6.630 2.707 -1.002
25 HB2 LEU 5 HB3 LEU 5 -4.539 1.494 -2.839
26 HB3 LEU 5 HB2 LEU 5 -5.923 2.444 -3.376
27 HG LEU 5 HG LEU 5 -3.709 3.415 -1.540
28 HD11 LEU 5 HD11 LEU 5 -2.651 4.055 -3.418
29 HD12 LEU 5 HD12 LEU 5 -4.080 4.949 -3.936
30 HD13 LEU 5 HD13 LEU 5 -3.895 3.252 -4.376
31 HD21 LEU 5 HD21 LEU 5 -6.367 4.504 -2.345
32 HD22 LEU 5 HD22 LEU 5 -5.020 5.640 -2.266
33 HD23 LEU 5 HD23 LEU 5 -5.479 4.714 -0.835
34 H ASN 6 H ASN 6 -5.270 -0.532 -1.044
35 HA ASN 6 HA ASN 6 -7.825 -1.582 -2.156
36 HB2 ASN 6 HB3 ASN 6 -5.509 -2.244 -3.090
37 HB3 ASN 6 HB2 ASN 6 -5.338 -3.200 -1.619
38 HD21 ASN 6 HD21 ASN 6 -7.307 -2.827 -4.563
39 HD22 ASN 6 HD22 ASN 6 -8.002 -4.376 -4.500
40 H ALA 7 H ALA 7 -9.108 -2.979 -0.939
41 HA ALA 7 HA ALA 7 -8.845 -2.868 1.938
42 HB1 ALA 7 HB1 ALA 7 -10.793 -3.802 -0.005
43 HB2 ALA 7 HB2 ALA 7 -11.045 -3.296 1.664
44 HB3 ALA 7 HB3 ALA 7 -10.605 -4.966 1.306
45 H HIS 8 H HIS 8 -7.526 -4.898 -0.481
46 HA HIS 8 HA HIS 8 -7.079 -7.138 1.412
47 HB2 HIS 8 HB3 HIS 8 -6.330 -6.859 -1.510
48 HB3 HIS 8 HB2 HIS 8 -6.202 -8.329 -0.550
49 HD2 HIS 8 HD2 HIS 8 -9.116 -8.524 0.820
50 HE1 HIS 8 HE1 HIS 8 -10.713 -7.872 -3.038
51 HE2 HIS 8 HE2 HIS 8 -11.237 -8.689 -0.691
52 H CYS 9 H CYS 9 -5.673 -4.275 1.093
53 HA CYS 9 HA CYS 9 -2.962 -4.642 0.481
54 HB2 CYS 9 HB3 CYS 9 -4.402 -2.867 2.431
55 HB3 CYS 9 HB2 CYS 9 -2.636 -2.877 2.391
56 H GLU 10 H GLU 10 -4.551 -5.150 3.661
57 HA GLU 10 HA GLU 10 -2.188 -6.029 5.005
58 HB2 GLU 10 HB3 GLU 10 -4.344 -5.406 6.133
59 HB3 GLU 10 HB2 GLU 10 -5.035 -6.918 5.544
60 HG2 GLU 10 HG3 GLU 10 -4.261 -7.312 7.792
61 HG3 GLU 10 HG2 GLU 10 -3.148 -8.133 6.697
62 H MET 11 H MET 11 -4.653 -7.744 3.135
63 HA MET 11 HA MET 11 -3.735 -10.398 3.625
64 HB2 MET 11 HB3 MET 11 -5.104 -9.229 1.186
65 HB3 MET 11 HB2 MET 11 -4.910 -10.953 1.497
66 HG2 MET 11 HG3 MET 11 -6.127 -10.613 3.683
67 HG3 MET 11 HG2 MET 11 -6.463 -8.960 3.168
68 HE1 MET 11 HE1 MET 11 -6.361 -12.465 2.442
69 HE2 MET 11 HE2 MET 11 -6.978 -12.582 0.797
70 HE3 MET 11 HE3 MET 11 -8.051 -12.902 2.157
71 H TRP 12 H TRP 12 -2.690 -7.925 1.354
72 HA TRP 12 HA TRP 12 -0.894 -9.761 -0.062
73 HB2 TRP 12 HB3 TRP 12 -1.153 -6.745 -0.213
74 HB3 TRP 12 HB2 TRP 12 -0.278 -7.759 -1.350
75 HD1 TRP 12 HD1 TRP 12 -2.828 -10.011 -1.011
76 HE1 TRP 12 HE1 TRP 12 -4.846 -9.587 -2.555
77 HE3 TRP 12 HE3 TRP 12 -2.011 -5.119 -2.216
78 HZ2 TRP 12 HZ2 TRP 12 -5.967 -7.458 -4.098
79 HZ3 TRP 12 HZ3 TRP 12 -3.568 -3.917 -3.720
80 HH2 TRP 12 HH2 TRP 12 -5.543 -5.080 -4.664
81 H GLN 13 H GLN 13 -0.518 -6.988 2.164
82 HA GLN 13 HA GLN 13 2.338 -7.056 2.192
83 HB2 GLN 13 HB3 GLN 13 2.214 -5.530 3.967
84 HB3 GLN 13 HB2 GLN 13 0.699 -5.254 3.104
85 HG2 GLN 13 HG3 GLN 13 -0.021 -5.443 5.329
86 HG3 GLN 13 HG2 GLN 13 -0.258 -7.076 4.713
87 HE21 GLN 13 HE21 GLN 13 0.109 -8.163 6.734
88 HE22 GLN 13 HE22 GLN 13 1.624 -8.177 7.497
89 H GLN 14 H GLN 14 -0.113 -8.739 4.111
90 HA GLN 14 HA GLN 14 1.729 -9.893 5.982
91 HB2 GLN 14 HB3 GLN 14 -0.085 -11.173 6.740
92 HB3 GLN 14 HB2 GLN 14 -0.887 -9.770 6.035
93 HG2 GLN 14 HG3 GLN 14 -1.022 -11.104 3.866
94 HG3 GLN 14 HG2 GLN 14 -0.551 -12.512 4.818
95 HE21 GLN 14 HE21 GLN 14 -2.652 -9.813 5.882
96 HE22 GLN 14 HE22 GLN 14 -4.032 -10.770 6.128
97 H LEU 15 H LEU 15 0.867 -10.593 2.698
98 HA LEU 15 HA LEU 15 2.120 -13.264 2.769
99 HB2 LEU 15 HB3 LEU 15 0.895 -11.629 0.532
100 HB3 LEU 15 HB2 LEU 15 1.621 -13.218 0.291
101 HG LEU 15 HG LEU 15 -0.641 -12.645 2.229
102 HD11 LEU 15 HD11 LEU 15 -2.159 -13.368 0.621
103 HD12 LEU 15 HD12 LEU 15 -0.935 -14.259 -0.281
104 HD13 LEU 15 HD13 LEU 15 -1.001 -12.502 -0.390
105 HD21 LEU 15 HD21 LEU 15 0.143 -14.616 3.069
106 HD22 LEU 15 HD22 LEU 15 1.074 -14.974 1.615
107 HD23 LEU 15 HD23 LEU 15 -0.653 -15.324 1.664
108 H GLY 16 H GLY 16 3.078 -10.033 2.407
109 HA2 GLY 16 HA3 GLY 16 5.431 -9.445 2.327
110 HA3 GLY 16 HA2 GLY 16 5.750 -10.948 1.464
111 H HIS 17 H HIS 17 2.996 -9.303 0.305
112 HA HIS 17 HA HIS 17 4.037 -8.944 -2.306
113 HB2 HIS 17 HB3 HIS 17 1.757 -7.588 -0.859
114 HB3 HIS 17 HB2 HIS 17 2.105 -7.303 -2.564
115 HD2 HIS 17 HD2 HIS 17 2.363 -10.905 -0.976
116 HE1 HIS 17 HE1 HIS 17 -0.798 -10.900 -3.775
117 HE2 HIS 17 HE2 HIS 17 0.594 -12.353 -2.231
118 H CYS 18 H CYS 18 4.238 -6.900 0.532
119 HA CYS 18 HA CYS 18 5.123 -4.531 -0.914
120 HB2 CYS 18 HB3 CYS 18 4.817 -5.373 1.919
121 HB3 CYS 18 HB2 CYS 18 6.080 -4.179 1.609
122 H GLN 19 H GLN 19 6.631 -7.217 0.803
123 HA GLN 19 HA GLN 19 9.342 -6.273 0.402
124 HB2 GLN 19 HB3 GLN 19 8.591 -7.873 2.214
125 HB3 GLN 19 HB2 GLN 19 8.409 -9.099 0.961
126 HG2 GLN 19 HG3 GLN 19 10.774 -8.872 0.357
127 HG3 GLN 19 HG2 GLN 19 10.975 -7.609 1.572
128 HE21 GLN 19 HE21 GLN 19 12.587 -9.840 1.862
129 HE22 GLN 19 HE22 GLN 19 12.047 -10.798 3.157
130 H TYR 20 H TYR 20 7.089 -8.325 -1.328
131 HA TYR 20 HA TYR 20 9.177 -9.010 -3.324
132 HB2 TYR 20 HB3 TYR 20 6.328 -10.001 -3.024
133 HB3 TYR 20 HB2 TYR 20 7.516 -10.621 -4.173
134 HD1 TYR 20 HD2 TYR 20 9.923 -11.102 -2.956
135 HD2 TYR 20 HD1 TYR 20 6.055 -11.278 -1.089
136 HE1 TYR 20 HE2 TYR 20 10.838 -12.596 -1.201
137 HE2 TYR 20 HE1 TYR 20 6.975 -12.776 0.665
138 HH TYR 20 HH TYR 20 8.990 -14.444 0.783
139 H SER 21 H SER 21 6.101 -7.254 -3.046
140 HA SER 21 HA SER 21 6.656 -6.163 -5.774
141 HB2 SER 21 HB3 SER 21 4.686 -7.888 -5.496
142 HB3 SER 21 HB2 SER 21 3.835 -6.505 -4.814
143 HG SER 21 HG SER 21 5.166 -5.806 -7.052
144 HA PRO 22 HA PRO 22 5.965 -2.781 -2.649
145 HB2 PRO 22 HB3 PRO 22 8.349 -1.498 -3.064
146 HB3 PRO 22 HB2 PRO 22 8.126 -2.772 -1.851
147 HG2 PRO 22 HG3 PRO 22 9.422 -2.896 -4.507
148 HG3 PRO 22 HG2 PRO 22 9.787 -3.789 -3.023
149 HD2 PRO 22 HD3 PRO 22 8.396 -4.827 -5.202
150 HD3 PRO 22 HD2 PRO 22 8.346 -5.488 -3.557
151 H LYS 23 H LYS 23 7.004 -2.982 -5.948
152 HA LYS 23 HA LYS 23 6.838 -0.269 -6.747
153 HB2 LYS 23 HB3 LYS 23 6.222 -2.794 -8.301
154 HB3 LYS 23 HB2 LYS 23 6.429 -1.198 -9.023
155 HG2 LYS 23 HG3 LYS 23 8.715 -1.085 -8.021
156 HG3 LYS 23 HG2 LYS 23 8.504 -2.733 -7.429
157 HD2 LYS 23 HD3 LYS 23 8.128 -3.495 -9.776
158 HD3 LYS 23 HD2 LYS 23 8.464 -1.853 -10.331
159 HE2 LYS 23 HE3 LYS 23 10.682 -2.218 -10.217
160 HE3 LYS 23 HE2 LYS 23 10.549 -2.722 -8.532
161 HZ1 LYS 23 HZ1 LYS 23 10.116 -4.927 -9.170
162 HZ2 LYS 23 HZ2 LYS 23 11.419 -4.430 -10.141
163 HZ3 LYS 23 HZ3 LYS 23 9.850 -4.505 -10.790
164 H TYR 24 H TYR 24 4.271 -2.704 -6.332
165 HA TYR 24 HA TYR 24 2.313 -0.616 -7.193
166 HB2 TYR 24 HB3 TYR 24 1.734 -3.545 -6.739
167 HB3 TYR 24 HB2 TYR 24 0.769 -2.378 -7.639
168 HD1 TYR 24 HD2 TYR 24 3.942 -4.291 -7.629
169 HD2 TYR 24 HD1 TYR 24 1.280 -1.822 -9.919
170 HE1 TYR 24 HE2 TYR 24 5.192 -4.861 -9.694
171 HE2 TYR 24 HE1 TYR 24 2.529 -2.387 -11.985
172 HH TYR 24 HH TYR 24 4.008 -4.053 -12.841
173 H MET 25 H MET 25 3.414 -2.467 -4.437
174 HA MET 25 HA MET 25 1.001 -2.073 -2.862
175 HB2 MET 25 HB3 MET 25 3.867 -2.648 -2.064
176 HB3 MET 25 HB2 MET 25 2.533 -2.556 -0.918
177 HG2 MET 25 HG3 MET 25 2.578 -4.416 -3.306
178 HG3 MET 25 HG2 MET 25 3.045 -4.898 -1.679
179 HE1 MET 25 HE1 MET 25 -0.057 -4.885 0.403
180 HE2 MET 25 HE2 MET 25 1.135 -3.595 0.323
181 HE3 MET 25 HE3 MET 25 1.656 -5.273 0.215
182 H GLY 26 H GLY 26 4.101 -0.361 -3.185
183 HA2 GLY 26 HA3 GLY 26 3.550 1.669 -1.254
184 HA3 GLY 26 HA2 GLY 26 4.681 1.835 -2.599
185 H HIS 27 H HIS 27 2.531 1.169 -4.549
186 HA HIS 27 HA HIS 27 1.457 3.896 -4.807
187 HB2 HIS 27 HB3 HIS 27 2.432 2.669 -6.761
188 HB3 HIS 27 HB2 HIS 27 1.104 1.515 -6.645
189 HD2 HIS 27 HD2 HIS 27 -1.376 2.459 -7.619
190 HE1 HIS 27 HE1 HIS 27 -0.029 6.307 -8.720
191 HE2 HIS 27 HE2 HIS 27 -1.973 4.684 -8.846
192 H TYR 28 H TYR 28 0.433 0.892 -3.547
193 HA TYR 28 HA TYR 28 -2.413 1.810 -3.669
194 HB2 TYR 28 HB3 TYR 28 -1.189 -0.892 -4.011
195 HB3 TYR 28 HB2 TYR 28 -2.774 -0.782 -3.246
196 HD1 TYR 28 HD2 TYR 28 -0.839 -0.007 -6.306
197 HD2 TYR 28 HD1 TYR 28 -4.727 -0.134 -4.481
198 HE1 TYR 28 HE2 TYR 28 -1.889 0.312 -8.530
199 HE2 TYR 28 HE1 TYR 28 -5.778 0.181 -6.708
200 HH TYR 28 HH TYR 28 -5.439 0.420 -8.881
201 H CYS 29 H CYS 29 -0.086 -0.090 -1.743
202 HA CYS 29 HA CYS 29 -1.714 0.624 0.652
203 HB2 CYS 29 HB3 CYS 29 0.372 -1.545 0.525
204 HB3 CYS 29 HB2 CYS 29 -0.959 -1.368 1.667
205 H LYS 30 H LYS 30 -0.826 2.373 1.649
206 HA LYS 30 HA LYS 30 2.094 2.822 1.460
207 HB2 LYS 30 HB3 LYS 30 0.216 4.514 3.084
208 HB3 LYS 30 HB2 LYS 30 1.670 4.995 2.215
209 HG2 LYS 30 HG3 LYS 30 -0.946 4.126 0.954
210 HG3 LYS 30 HG2 LYS 30 -0.339 5.777 1.021
211 HD2 LYS 30 HD3 LYS 30 1.167 3.515 -0.319
212 HD3 LYS 30 HD2 LYS 30 0.050 4.570 -1.177
213 HE2 LYS 30 HE3 LYS 30 2.516 5.466 0.338
214 HE3 LYS 30 HE2 LYS 30 2.343 5.405 -1.413
215 HZ1 LYS 30 HZ1 LYS 30 1.699 7.520 -1.156
216 HZ2 LYS 30 HZ2 LYS 30 1.304 7.325 0.486
217 HZ3 LYS 30 HZ3 LYS 30 0.205 6.847 -0.719
218 H LYS 31 H LYS 31 -0.315 2.545 4.086
219 HA LYS 31 HA LYS 31 1.601 2.366 6.200
220 HB2 LYS 31 HB3 LYS 31 -1.268 1.504 5.903
221 HB3 LYS 31 HB2 LYS 31 -0.370 1.209 7.392
222 HG2 LYS 31 HG3 LYS 31 -0.183 3.460 7.896
223 HG3 LYS 31 HG2 LYS 31 -0.286 3.955 6.207
224 HD2 LYS 31 HD3 LYS 31 -2.421 4.520 6.714
225 HD3 LYS 31 HD2 LYS 31 -2.749 2.790 6.603
226 HE2 LYS 31 HE3 LYS 31 -2.125 4.390 9.093
227 HE3 LYS 31 HE2 LYS 31 -3.612 3.517 8.722
228 HZ1 LYS 31 HZ1 LYS 31 -2.032 1.496 8.570
229 HZ2 LYS 31 HZ2 LYS 31 -2.507 2.063 10.100
230 HZ3 LYS 31 HZ3 LYS 31 -0.972 2.455 9.483
231 H ALA 32 H ALA 32 -0.113 -0.124 4.349
232 HA ALA 32 HA ALA 32 0.965 -2.376 5.703
233 HB1 ALA 32 HB1 ALA 32 -0.146 -3.577 4.119
234 HB2 ALA 32 HB2 ALA 32 0.548 -2.654 2.787
235 HB3 ALA 32 HB3 ALA 32 -0.829 -2.015 3.685
236 H CYS 33 H CYS 33 2.429 -0.118 3.545
237 HA CYS 33 HA CYS 33 4.737 -1.958 3.137
238 HB2 CYS 33 HB3 CYS 33 3.411 -0.066 1.431
239 HB3 CYS 33 HB2 CYS 33 5.078 0.434 1.674
240 H GLY 34 H GLY 34 6.887 -0.586 3.048
241 HA2 GLY 34 HA3 GLY 34 7.286 0.499 5.674
242 HA3 GLY 34 HA2 GLY 34 8.464 0.552 4.365
243 H LEU 35 H LEU 35 5.582 1.865 3.290
244 HA LEU 35 HA LEU 35 6.716 4.540 3.256
245 HB2 LEU 35 HB3 LEU 35 3.858 3.739 2.631
246 HB3 LEU 35 HB2 LEU 35 4.700 5.192 2.089
247 HG LEU 35 HG LEU 35 5.180 2.337 1.255
248 HD11 LEU 35 HD11 LEU 35 3.535 3.536 -0.046
249 HD12 LEU 35 HD12 LEU 35 5.006 3.389 -1.004
250 HD13 LEU 35 HD13 LEU 35 4.619 4.916 -0.215
251 HD21 LEU 35 HD21 LEU 35 7.117 3.370 -0.075
252 HD22 LEU 35 HD22 LEU 35 7.388 3.111 1.648
253 HD23 LEU 35 HD23 LEU 35 7.011 4.725 1.047
254 H CYS 36 H CYS 36 4.338 2.821 5.210
255 HA CYS 36 HA CYS 36 4.539 4.909 7.259
256 HB2 CYS 36 HB3 CYS 36 2.424 4.959 5.316
257 HB3 CYS 36 HB2 CYS 36 1.742 4.637 6.911
Start of MODEL 24
1 HA VAL 1 HA VAL 1 -0.927 11.264 5.062
2 HB VAL 1 HB VAL 1 -3.200 12.070 5.297
3 HG11 VAL 1 HG11 VAL 1 -3.767 10.213 2.973
4 HG12 VAL 1 HG12 VAL 1 -3.997 11.960 3.034
5 HG13 VAL 1 HG13 VAL 1 -5.034 10.901 3.989
6 HG21 VAL 1 HG21 VAL 1 -3.353 9.048 5.175
7 HG22 VAL 1 HG22 VAL 1 -4.240 10.128 6.253
8 HG23 VAL 1 HG23 VAL 1 -2.499 9.914 6.452
9 H CYS 2 H CYS 2 -0.858 8.956 5.476
10 HA CYS 2 HA CYS 2 -0.615 7.372 2.958
11 HB2 CYS 2 HB3 CYS 2 0.409 5.930 5.174
12 HB3 CYS 2 HB2 CYS 2 1.324 6.650 3.847
13 H GLU 3 H GLU 3 -2.024 5.695 2.638
14 HA GLU 3 HA GLU 3 -3.229 4.280 4.875
15 HB2 GLU 3 HB3 GLU 3 -5.491 4.938 4.611
16 HB3 GLU 3 HB2 GLU 3 -4.587 6.452 4.607
17 HG2 GLU 3 HG3 GLU 3 -4.553 6.319 2.083
18 HG3 GLU 3 HG2 GLU 3 -5.662 4.954 2.202
19 H ASP 4 H ASP 4 -4.437 2.421 4.153
20 HA ASP 4 HA ASP 4 -3.369 1.262 1.763
21 HB2 ASP 4 HB3 ASP 4 -4.903 -0.603 2.238
22 HB3 ASP 4 HB2 ASP 4 -4.050 -0.097 3.694
23 H LEU 5 H LEU 5 -4.331 0.905 -0.243
24 HA LEU 5 HA LEU 5 -6.708 2.612 -0.814
25 HB2 LEU 5 HB3 LEU 5 -4.556 1.455 -2.616
26 HB3 LEU 5 HB2 LEU 5 -5.937 2.382 -3.202
27 HG LEU 5 HG LEU 5 -3.826 3.370 -1.257
28 HD11 LEU 5 HD11 LEU 5 -2.688 3.978 -3.102
29 HD12 LEU 5 HD12 LEU 5 -4.060 4.970 -3.597
30 HD13 LEU 5 HD13 LEU 5 -3.949 3.292 -4.127
31 HD21 LEU 5 HD21 LEU 5 -5.656 4.621 -0.611
32 HD22 LEU 5 HD22 LEU 5 -6.467 4.425 -2.166
33 HD23 LEU 5 HD23 LEU 5 -5.146 5.581 -1.998
34 H ASN 6 H ASN 6 -5.426 -0.663 -1.094
35 HA ASN 6 HA ASN 6 -8.034 -1.570 -2.225
36 HB2 ASN 6 HB3 ASN 6 -5.767 -2.227 -3.274
37 HB3 ASN 6 HB2 ASN 6 -5.569 -3.276 -1.868
38 HD21 ASN 6 HD21 ASN 6 -6.426 -5.341 -2.121
39 HD22 ASN 6 HD22 ASN 6 -7.654 -5.760 -3.215
40 H ALA 7 H ALA 7 -9.270 -3.133 -1.098
41 HA ALA 7 HA ALA 7 -9.068 -3.108 1.765
42 HB1 ALA 7 HB1 ALA 7 -10.514 -5.349 0.441
43 HB2 ALA 7 HB2 ALA 7 -11.065 -3.714 0.070
44 HB3 ALA 7 HB3 ALA 7 -11.043 -4.280 1.742
45 H HIS 8 H HIS 8 -7.702 -5.193 -0.689
46 HA HIS 8 HA HIS 8 -6.943 -7.247 1.300
47 HB2 HIS 8 HB3 HIS 8 -6.429 -7.002 -1.674
48 HB3 HIS 8 HB2 HIS 8 -5.868 -8.350 -0.687
49 HD2 HIS 8 HD2 HIS 8 -9.024 -8.040 0.977
50 HE1 HIS 8 HE1 HIS 8 -10.205 -9.862 -2.643
51 HE2 HIS 8 HE2 HIS 8 -10.917 -9.326 -0.272
52 H CYS 9 H CYS 9 -5.841 -4.299 0.865
53 HA CYS 9 HA CYS 9 -3.116 -4.370 0.203
54 HB2 CYS 9 HB3 CYS 9 -4.880 -2.678 1.828
55 HB3 CYS 9 HB2 CYS 9 -3.194 -2.639 2.345
56 H GLU 10 H GLU 10 -4.526 -4.755 3.464
57 HA GLU 10 HA GLU 10 -2.079 -5.438 4.752
58 HB2 GLU 10 HB3 GLU 10 -4.965 -6.065 5.400
59 HB3 GLU 10 HB2 GLU 10 -3.631 -6.490 6.475
60 HG2 GLU 10 HG3 GLU 10 -2.948 -4.104 6.538
61 HG3 GLU 10 HG2 GLU 10 -4.319 -3.695 5.506
62 H MET 11 H MET 11 -4.525 -7.432 3.128
63 HA MET 11 HA MET 11 -3.443 -9.969 3.873
64 HB2 MET 11 HB3 MET 11 -4.949 -9.133 1.374
65 HB3 MET 11 HB2 MET 11 -4.637 -10.804 1.839
66 HG2 MET 11 HG3 MET 11 -6.202 -8.775 3.458
67 HG3 MET 11 HG2 MET 11 -6.888 -10.124 2.554
68 HE1 MET 11 HE1 MET 11 -4.485 -12.524 3.353
69 HE2 MET 11 HE2 MET 11 -6.117 -12.380 2.703
70 HE3 MET 11 HE3 MET 11 -5.850 -13.245 4.216
71 H TRP 12 H TRP 12 -2.724 -7.762 1.204
72 HA TRP 12 HA TRP 12 -0.883 -9.549 -0.119
73 HB2 TRP 12 HB3 TRP 12 -1.111 -6.534 -0.258
74 HB3 TRP 12 HB2 TRP 12 -0.233 -7.544 -1.396
75 HD1 TRP 12 HD1 TRP 12 -2.776 -9.800 -1.038
76 HE1 TRP 12 HE1 TRP 12 -4.800 -9.392 -2.580
77 HE3 TRP 12 HE3 TRP 12 -1.966 -4.917 -2.288
78 HZ2 TRP 12 HZ2 TRP 12 -5.930 -7.273 -4.133
79 HZ3 TRP 12 HZ3 TRP 12 -3.533 -3.727 -3.793
80 HH2 TRP 12 HH2 TRP 12 -5.513 -4.899 -4.718
81 H GLN 13 H GLN 13 -0.448 -6.896 2.215
82 HA GLN 13 HA GLN 13 2.417 -6.981 2.152
83 HB2 GLN 13 HB3 GLN 13 2.330 -5.400 3.829
84 HB3 GLN 13 HB2 GLN 13 0.706 -5.231 3.167
85 HG2 GLN 13 HG3 GLN 13 0.266 -5.425 5.453
86 HG3 GLN 13 HG2 GLN 13 0.094 -7.088 4.915
87 HE21 GLN 13 HE21 GLN 13 0.893 -8.252 6.709
88 HE22 GLN 13 HE22 GLN 13 2.446 -8.030 7.363
89 H GLN 14 H GLN 14 -0.014 -8.707 4.070
90 HA GLN 14 HA GLN 14 1.911 -9.913 5.846
91 HB2 GLN 14 HB3 GLN 14 0.128 -11.070 6.749
92 HB3 GLN 14 HB2 GLN 14 -0.737 -9.752 5.966
93 HG2 GLN 14 HG3 GLN 14 -0.805 -11.336 3.906
94 HG3 GLN 14 HG2 GLN 14 -0.442 -12.607 5.070
95 HE21 GLN 14 HE21 GLN 14 -2.266 -9.884 6.271
96 HE22 GLN 14 HE22 GLN 14 -3.775 -10.656 6.323
97 H LEU 15 H LEU 15 0.683 -10.666 2.645
98 HA LEU 15 HA LEU 15 1.955 -13.305 2.578
99 HB2 LEU 15 HB3 LEU 15 0.744 -11.549 0.429
100 HB3 LEU 15 HB2 LEU 15 1.412 -13.150 0.113
101 HG LEU 15 HG LEU 15 -0.825 -12.551 2.075
102 HD11 LEU 15 HD11 LEU 15 -2.268 -12.797 0.364
103 HD12 LEU 15 HD12 LEU 15 -1.483 -14.292 -0.141
104 HD13 LEU 15 HD13 LEU 15 -0.892 -12.739 -0.735
105 HD21 LEU 15 HD21 LEU 15 -0.003 -14.517 2.923
106 HD22 LEU 15 HD22 LEU 15 0.814 -14.941 1.418
107 HD23 LEU 15 HD23 LEU 15 -0.919 -15.215 1.584
108 H GLY 16 H GLY 16 3.076 -10.140 2.439
109 HA2 GLY 16 HA3 GLY 16 5.401 -9.578 2.254
110 HA3 GLY 16 HA2 GLY 16 5.670 -11.081 1.379
111 H HIS 17 H HIS 17 2.960 -9.253 0.272
112 HA HIS 17 HA HIS 17 4.000 -8.970 -2.352
113 HB2 HIS 17 HB3 HIS 17 1.816 -7.479 -0.896
114 HB3 HIS 17 HB2 HIS 17 2.178 -7.206 -2.600
115 HD2 HIS 17 HD2 HIS 17 2.211 -10.840 -1.058
116 HE1 HIS 17 HE1 HIS 17 -0.995 -10.580 -3.797
117 HE2 HIS 17 HE2 HIS 17 0.316 -12.145 -2.289
118 H CYS 18 H CYS 18 4.370 -6.944 0.485
119 HA CYS 18 HA CYS 18 5.387 -4.644 -0.998
120 HB2 CYS 18 HB3 CYS 18 5.154 -5.447 1.875
121 HB3 CYS 18 HB2 CYS 18 6.350 -4.218 1.466
122 H GLN 19 H GLN 19 6.721 -7.389 0.772
123 HA GLN 19 HA GLN 19 9.490 -6.659 0.378
124 HB2 GLN 19 HB3 GLN 19 8.617 -8.244 2.150
125 HB3 GLN 19 HB2 GLN 19 8.341 -9.423 0.869
126 HG2 GLN 19 HG3 GLN 19 10.734 -9.325 0.266
127 HG3 GLN 19 HG2 GLN 19 11.008 -8.158 1.559
128 HE21 GLN 19 HE21 GLN 19 12.459 -10.502 1.743
129 HE22 GLN 19 HE22 GLN 19 11.830 -11.505 2.960
130 H TYR 20 H TYR 20 7.103 -8.525 -1.395
131 HA TYR 20 HA TYR 20 9.131 -9.299 -3.419
132 HB2 TYR 20 HB3 TYR 20 6.219 -10.090 -3.146
133 HB3 TYR 20 HB2 TYR 20 7.368 -10.773 -4.297
134 HD1 TYR 20 HD1 TYR 20 9.714 -11.484 -3.069
135 HD2 TYR 20 HD2 TYR 20 5.828 -11.362 -1.241
136 HE1 TYR 20 HE1 TYR 20 10.475 -13.091 -1.339
137 HE2 TYR 20 HE2 TYR 20 6.593 -12.961 0.492
138 HH TYR 20 HH TYR 20 8.269 -14.193 1.238
139 H SER 21 H SER 21 6.050 -7.502 -3.166
140 HA SER 21 HA SER 21 6.724 -6.285 -5.815
141 HB2 SER 21 HB3 SER 21 4.713 -8.001 -5.611
142 HB3 SER 21 HB2 SER 21 3.866 -6.589 -4.981
143 HG SER 21 HG SER 21 5.370 -6.050 -7.197
144 HA PRO 22 HA PRO 22 6.001 -2.991 -2.583
145 HB2 PRO 22 HB3 PRO 22 8.379 -1.692 -2.978
146 HB3 PRO 22 HB2 PRO 22 8.166 -2.998 -1.799
147 HG2 PRO 22 HG3 PRO 22 9.420 -3.055 -4.482
148 HG3 PRO 22 HG2 PRO 22 9.839 -3.955 -3.014
149 HD2 PRO 22 HD3 PRO 22 8.443 -5.029 -5.148
150 HD3 PRO 22 HD2 PRO 22 8.372 -5.659 -3.488
151 H LYS 23 H LYS 23 7.043 -3.092 -5.891
152 HA LYS 23 HA LYS 23 6.857 -0.354 -6.603
153 HB2 LYS 23 HB3 LYS 23 6.261 -2.828 -8.244
154 HB3 LYS 23 HB2 LYS 23 6.452 -1.206 -8.911
155 HG2 LYS 23 HG3 LYS 23 8.743 -1.120 -7.881
156 HG3 LYS 23 HG2 LYS 23 8.541 -2.807 -7.406
157 HD2 LYS 23 HD3 LYS 23 8.155 -3.392 -9.806
158 HD3 LYS 23 HD2 LYS 23 8.501 -1.717 -10.234
159 HE2 LYS 23 HE3 LYS 23 10.517 -3.080 -10.516
160 HE3 LYS 23 HE2 LYS 23 10.748 -1.936 -9.196
161 HZ1 LYS 23 HZ1 LYS 23 10.344 -3.626 -7.610
162 HZ2 LYS 23 HZ2 LYS 23 11.461 -4.261 -8.720
163 HZ3 LYS 23 HZ3 LYS 23 9.828 -4.723 -8.792
164 H TYR 24 H TYR 24 4.312 -2.823 -6.282
165 HA TYR 24 HA TYR 24 2.331 -0.745 -7.102
166 HB2 TYR 24 HB3 TYR 24 1.807 -3.689 -6.647
167 HB3 TYR 24 HB2 TYR 24 0.802 -2.534 -7.522
168 HD1 TYR 24 HD1 TYR 24 4.011 -4.389 -7.592
169 HD2 TYR 24 HD2 TYR 24 1.259 -1.950 -9.806
170 HE1 TYR 24 HE1 TYR 24 5.229 -4.921 -9.686
171 HE2 TYR 24 HE2 TYR 24 2.477 -2.478 -11.901
172 HH TYR 24 HH TYR 24 4.735 -4.978 -12.135
173 H MET 25 H MET 25 3.457 -2.589 -4.335
174 HA MET 25 HA MET 25 1.036 -2.185 -2.773
175 HB2 MET 25 HB3 MET 25 3.901 -2.743 -1.952
176 HB3 MET 25 HB2 MET 25 2.566 -2.630 -0.813
177 HG2 MET 25 HG3 MET 25 2.695 -4.573 -3.140
178 HG3 MET 25 HG2 MET 25 3.035 -4.986 -1.460
179 HE1 MET 25 HE1 MET 25 1.276 -5.392 0.370
180 HE2 MET 25 HE2 MET 25 -0.276 -4.553 0.374
181 HE3 MET 25 HE3 MET 25 1.216 -3.626 0.319
182 H GLY 26 H GLY 26 4.131 -0.474 -3.098
183 HA2 GLY 26 HA3 GLY 26 3.611 1.574 -1.188
184 HA3 GLY 26 HA2 GLY 26 4.719 1.724 -2.552
185 H HIS 27 H HIS 27 2.441 1.033 -4.412
186 HA HIS 27 HA HIS 27 1.438 3.793 -4.666
187 HB2 HIS 27 HB3 HIS 27 2.362 2.574 -6.643
188 HB3 HIS 27 HB2 HIS 27 1.026 1.428 -6.513
189 HD2 HIS 27 HD2 HIS 27 -1.500 2.442 -7.330
190 HE1 HIS 27 HE1 HIS 27 -0.084 6.220 -8.578
191 HE2 HIS 27 HE2 HIS 27 -2.092 4.669 -8.552
192 H TYR 28 H TYR 28 0.375 0.760 -3.472
193 HA TYR 28 HA TYR 28 -2.446 1.760 -3.515
194 HB2 TYR 28 HB3 TYR 28 -1.298 -0.995 -3.823
195 HB3 TYR 28 HB2 TYR 28 -2.911 -0.795 -3.140
196 HD1 TYR 28 HD2 TYR 28 -0.799 -0.171 -6.120
197 HD2 TYR 28 HD1 TYR 28 -4.768 -0.080 -4.478
198 HE1 TYR 28 HE2 TYR 28 -1.732 0.134 -8.397
199 HE2 TYR 28 HE1 TYR 28 -5.702 0.227 -6.756
200 HH TYR 28 HH TYR 28 -4.306 -0.493 -9.420
201 H CYS 29 H CYS 29 -0.055 -0.107 -1.644
202 HA CYS 29 HA CYS 29 -1.635 0.578 0.795
203 HB2 CYS 29 HB3 CYS 29 0.486 -1.548 0.677
204 HB3 CYS 29 HB2 CYS 29 -0.878 -1.406 1.780
205 H LYS 30 H LYS 30 -0.743 2.336 1.749
206 HA LYS 30 HA LYS 30 2.151 2.834 1.510
207 HB2 LYS 30 HB3 LYS 30 0.355 4.531 3.195
208 HB3 LYS 30 HB2 LYS 30 1.692 5.014 2.154
209 HG2 LYS 30 HG3 LYS 30 -1.025 4.037 1.216
210 HG3 LYS 30 HG2 LYS 30 -0.463 5.706 1.173
211 HD2 LYS 30 HD3 LYS 30 1.060 3.507 -0.228
212 HD3 LYS 30 HD2 LYS 30 -0.288 4.327 -1.005
213 HE2 LYS 30 HE3 LYS 30 2.208 5.657 0.087
214 HE3 LYS 30 HE2 LYS 30 1.809 5.431 -1.615
215 HZ1 LYS 30 HZ1 LYS 30 0.932 7.443 0.186
216 HZ2 LYS 30 HZ2 LYS 30 -0.393 6.633 -0.505
217 HZ3 LYS 30 HZ3 LYS 30 0.773 7.367 -1.501
218 H LYS 31 H LYS 31 -0.234 2.508 4.149
219 HA LYS 31 HA LYS 31 1.700 2.356 6.256
220 HB2 LYS 31 HB3 LYS 31 -1.163 1.439 5.994
221 HB3 LYS 31 HB2 LYS 31 -0.245 1.200 7.478
222 HG2 LYS 31 HG3 LYS 31 -0.109 3.467 7.933
223 HG3 LYS 31 HG2 LYS 31 -0.252 3.920 6.236
224 HD2 LYS 31 HD3 LYS 31 -2.381 4.457 6.805
225 HD3 LYS 31 HD2 LYS 31 -2.675 2.728 6.652
226 HE2 LYS 31 HE3 LYS 31 -3.540 3.578 8.793
227 HE3 LYS 31 HE2 LYS 31 -2.221 2.437 9.060
228 HZ1 LYS 31 HZ1 LYS 31 -1.426 5.207 8.756
229 HZ2 LYS 31 HZ2 LYS 31 -0.884 4.036 9.860
230 HZ3 LYS 31 HZ3 LYS 31 -2.334 4.875 10.149
231 H ALA 32 H ALA 32 -0.068 -0.151 4.461
232 HA ALA 32 HA ALA 32 1.043 -2.401 5.774
233 HB1 ALA 32 HB1 ALA 32 -0.117 -3.597 4.234
234 HB2 ALA 32 HB2 ALA 32 0.578 -2.711 2.874
235 HB3 ALA 32 HB3 ALA 32 -0.781 -2.032 3.779
236 H CYS 33 H CYS 33 2.460 -0.184 3.533
237 HA CYS 33 HA CYS 33 4.777 -2.031 3.142
238 HB2 CYS 33 HB3 CYS 33 3.405 -0.277 1.365
239 HB3 CYS 33 HB2 CYS 33 5.010 0.388 1.624
240 H GLY 34 H GLY 34 6.841 -0.371 2.793
241 HA2 GLY 34 HA3 GLY 34 7.241 0.731 5.462
242 HA3 GLY 34 HA2 GLY 34 8.432 0.715 4.159
243 H LEU 35 H LEU 35 5.200 2.065 3.632
244 HA LEU 35 HA LEU 35 6.530 4.695 3.215
245 HB2 LEU 35 HB3 LEU 35 3.666 3.930 2.607
246 HB3 LEU 35 HB2 LEU 35 4.545 5.332 2.006
247 HG LEU 35 HG LEU 35 4.958 2.430 1.300
248 HD11 LEU 35 HD11 LEU 35 4.329 4.962 -0.222
249 HD12 LEU 35 HD12 LEU 35 3.365 3.491 -0.117
250 HD13 LEU 35 HD13 LEU 35 4.873 3.492 -1.029
251 HD21 LEU 35 HD21 LEU 35 7.188 3.206 1.662
252 HD22 LEU 35 HD22 LEU 35 6.834 4.775 0.937
253 HD23 LEU 35 HD23 LEU 35 6.918 3.336 -0.078
254 H CYS 36 H CYS 36 4.333 3.041 5.344
255 HA CYS 36 HA CYS 36 4.451 5.236 7.249
256 HB2 CYS 36 HB3 CYS 36 2.395 5.295 5.299
257 HB3 CYS 36 HB2 CYS 36 1.638 4.861 6.832
Start of MODEL 25
1 HA VAL 1 HA VAL 1 -1.319 10.895 4.779
2 HB VAL 1 HB VAL 1 -1.784 11.494 1.840
3 HG11 VAL 1 HG11 VAL 1 -3.368 10.102 3.916
4 HG12 VAL 1 HG12 VAL 1 -3.461 9.986 2.158
5 HG13 VAL 1 HG13 VAL 1 -4.244 11.329 2.997
6 HG21 VAL 1 HG21 VAL 1 -3.350 12.973 3.799
7 HG22 VAL 1 HG22 VAL 1 -2.351 13.584 2.479
8 HG23 VAL 1 HG23 VAL 1 -1.621 13.222 4.044
9 H CYS 2 H CYS 2 -0.627 8.793 5.189
10 HA CYS 2 HA CYS 2 -0.267 7.012 2.817
11 HB2 CYS 2 HB3 CYS 2 0.511 5.611 5.103
12 HB3 CYS 2 HB2 CYS 2 1.584 6.345 3.914
13 H GLU 3 H GLU 3 -1.732 5.382 2.521
14 HA GLU 3 HA GLU 3 -3.278 4.290 4.736
15 HB2 GLU 3 HB3 GLU 3 -5.445 5.046 4.083
16 HB3 GLU 3 HB2 GLU 3 -4.427 6.487 4.146
17 HG2 GLU 3 HG3 GLU 3 -4.034 6.231 1.676
18 HG3 GLU 3 HG2 GLU 3 -5.227 4.929 1.674
19 H ASP 4 H ASP 4 -4.691 2.504 3.978
20 HA ASP 4 HA ASP 4 -3.446 1.169 1.688
21 HB2 ASP 4 HB3 ASP 4 -5.040 -0.687 2.290
22 HB3 ASP 4 HB2 ASP 4 -3.943 -0.220 3.591
23 H LEU 5 H LEU 5 -4.179 1.396 -0.336
24 HA LEU 5 HA LEU 5 -6.759 2.690 -0.848
25 HB2 LEU 5 HB3 LEU 5 -4.697 1.534 -2.749
26 HB3 LEU 5 HB2 LEU 5 -6.079 2.522 -3.219
27 HG LEU 5 HG LEU 5 -3.809 3.400 -1.405
28 HD11 LEU 5 HD11 LEU 5 -2.783 4.065 -3.290
29 HD12 LEU 5 HD12 LEU 5 -4.196 5.023 -3.728
30 HD13 LEU 5 HD13 LEU 5 -4.078 3.339 -4.241
31 HD21 LEU 5 HD21 LEU 5 -5.083 5.666 -1.982
32 HD22 LEU 5 HD22 LEU 5 -5.571 4.669 -0.612
33 HD23 LEU 5 HD23 LEU 5 -6.459 4.574 -2.133
34 H ASN 6 H ASN 6 -5.361 -0.534 -1.009
35 HA ASN 6 HA ASN 6 -7.911 -1.582 -2.140
36 HB2 ASN 6 HB3 ASN 6 -5.559 -2.188 -3.076
37 HB3 ASN 6 HB2 ASN 6 -5.428 -3.214 -1.648
38 HD21 ASN 6 HD21 ASN 6 -7.203 -2.756 -4.683
39 HD22 ASN 6 HD22 ASN 6 -7.958 -4.278 -4.674
40 H ALA 7 H ALA 7 -9.191 -2.986 -0.944
41 HA ALA 7 HA ALA 7 -8.910 -2.967 1.924
42 HB1 ALA 7 HB1 ALA 7 -10.818 -4.530 1.902
43 HB2 ALA 7 HB2 ALA 7 -10.614 -4.760 0.165
44 HB3 ALA 7 HB3 ALA 7 -11.104 -3.187 0.793
45 H HIS 8 H HIS 8 -7.642 -4.978 -0.578
46 HA HIS 8 HA HIS 8 -7.098 -7.225 1.262
47 HB2 HIS 8 HB3 HIS 8 -6.402 -6.784 -1.653
48 HB3 HIS 8 HB2 HIS 8 -6.071 -8.264 -0.762
49 HD2 HIS 8 HD2 HIS 8 -9.242 -7.820 0.758
50 HE1 HIS 8 HE1 HIS 8 -10.431 -8.987 -3.122
51 HE2 HIS 8 HE2 HIS 8 -11.201 -8.697 -0.722
52 H CYS 9 H CYS 9 -5.773 -4.308 1.066
53 HA CYS 9 HA CYS 9 -3.038 -4.600 0.505
54 HB2 CYS 9 HB3 CYS 9 -4.584 -2.877 2.404
55 HB3 CYS 9 HB2 CYS 9 -2.824 -2.883 2.502
56 H GLU 10 H GLU 10 -4.738 -5.288 3.581
57 HA GLU 10 HA GLU 10 -2.367 -6.129 4.971
58 HB2 GLU 10 HB3 GLU 10 -4.592 -5.551 6.045
59 HB3 GLU 10 HB2 GLU 10 -5.194 -7.105 5.466
60 HG2 GLU 10 HG3 GLU 10 -3.348 -8.242 6.689
61 HG3 GLU 10 HG2 GLU 10 -2.841 -6.678 7.327
62 H MET 11 H MET 11 -4.769 -7.819 3.000
63 HA MET 11 HA MET 11 -3.852 -10.479 3.467
64 HB2 MET 11 HB3 MET 11 -5.176 -9.266 1.028
65 HB3 MET 11 HB2 MET 11 -4.944 -10.995 1.272
66 HG2 MET 11 HG3 MET 11 -6.253 -10.824 3.397
67 HG3 MET 11 HG2 MET 11 -6.565 -9.129 3.025
68 HE1 MET 11 HE1 MET 11 -10.030 -10.537 2.288
69 HE2 MET 11 HE2 MET 11 -9.072 -9.264 3.042
70 HE3 MET 11 HE3 MET 11 -8.918 -10.924 3.610
71 H TRP 12 H TRP 12 -2.726 -7.956 1.303
72 HA TRP 12 HA TRP 12 -0.899 -9.782 -0.104
73 HB2 TRP 12 HB3 TRP 12 -1.119 -6.766 -0.247
74 HB3 TRP 12 HB2 TRP 12 -0.271 -7.803 -1.384
75 HD1 TRP 12 HD1 TRP 12 -2.860 -10.000 -1.068
76 HE1 TRP 12 HE1 TRP 12 -4.873 -9.525 -2.607
77 HE3 TRP 12 HE3 TRP 12 -1.959 -5.109 -2.203
78 HZ2 TRP 12 HZ2 TRP 12 -5.961 -7.346 -4.119
79 HZ3 TRP 12 HZ3 TRP 12 -3.493 -3.859 -3.689
80 HH2 TRP 12 HH2 TRP 12 -5.491 -4.968 -4.649
81 H GLN 13 H GLN 13 -0.585 -7.015 2.145
82 HA GLN 13 HA GLN 13 2.271 -7.075 2.232
83 HB2 GLN 13 HB3 GLN 13 2.105 -5.573 4.027
84 HB3 GLN 13 HB2 GLN 13 0.613 -5.283 3.133
85 HG2 GLN 13 HG3 GLN 13 -0.152 -5.494 5.343
86 HG3 GLN 13 HG2 GLN 13 -0.387 -7.119 4.698
87 HE21 GLN 13 HE21 GLN 13 -0.045 -8.258 6.697
88 HE22 GLN 13 HE22 GLN 13 1.452 -8.271 7.497
89 H GLN 14 H GLN 14 -0.220 -8.781 4.057
90 HA GLN 14 HA GLN 14 1.547 -9.971 5.966
91 HB2 GLN 14 HB3 GLN 14 -0.277 -11.298 6.606
92 HB3 GLN 14 HB2 GLN 14 -1.059 -9.874 5.921
93 HG2 GLN 14 HG3 GLN 14 -1.133 -11.127 3.710
94 HG3 GLN 14 HG2 GLN 14 -0.654 -12.567 4.608
95 HE21 GLN 14 HE21 GLN 14 -2.801 -9.965 5.790
96 HE22 GLN 14 HE22 GLN 14 -4.174 -10.945 5.963
97 H LEU 15 H LEU 15 0.763 -10.700 2.634
98 HA LEU 15 HA LEU 15 2.122 -13.313 2.760
99 HB2 LEU 15 HB3 LEU 15 0.944 -11.760 0.438
100 HB3 LEU 15 HB2 LEU 15 1.651 -13.369 0.304
101 HG LEU 15 HG LEU 15 -0.694 -12.638 2.083
102 HD11 LEU 15 HD11 LEU 15 -0.621 -13.110 -0.692
103 HD12 LEU 15 HD12 LEU 15 -2.048 -13.108 0.345
104 HD13 LEU 15 HD13 LEU 15 -1.191 -14.616 0.029
105 HD21 LEU 15 HD21 LEU 15 0.985 -15.077 1.706
106 HD22 LEU 15 HD22 LEU 15 -0.747 -15.314 1.938
107 HD23 LEU 15 HD23 LEU 15 0.201 -14.472 3.163
108 H GLY 16 H GLY 16 2.994 -10.048 2.394
109 HA2 GLY 16 HA3 GLY 16 5.335 -9.406 2.367
110 HA3 GLY 16 HA2 GLY 16 5.710 -10.907 1.529
111 H HIS 17 H HIS 17 2.968 -9.265 0.280
112 HA HIS 17 HA HIS 17 4.091 -8.945 -2.301
113 HB2 HIS 17 HB3 HIS 17 1.786 -7.521 -0.959
114 HB3 HIS 17 HB2 HIS 17 2.179 -7.327 -2.668
115 HD2 HIS 17 HD2 HIS 17 2.428 -10.885 -1.002
116 HE1 HIS 17 HE1 HIS 17 -0.833 -10.914 -3.687
117 HE2 HIS 17 HE2 HIS 17 0.610 -12.349 -2.171
118 H CYS 18 H CYS 18 4.311 -6.911 0.531
119 HA CYS 18 HA CYS 18 5.229 -4.550 -0.933
120 HB2 CYS 18 HB3 CYS 18 4.869 -5.343 1.912
121 HB3 CYS 18 HB2 CYS 18 6.125 -4.144 1.594
122 H GLN 19 H GLN 19 6.657 -7.217 0.880
123 HA GLN 19 HA GLN 19 9.394 -6.342 0.574
124 HB2 GLN 19 HB3 GLN 19 8.596 -7.962 2.324
125 HB3 GLN 19 HB2 GLN 19 8.333 -9.145 1.042
126 HG2 GLN 19 HG3 GLN 19 10.698 -9.067 0.434
127 HG3 GLN 19 HG2 GLN 19 10.990 -7.814 1.640
128 HE21 GLN 19 HE21 GLN 19 12.456 -10.167 1.886
129 HE22 GLN 19 HE22 GLN 19 11.892 -11.074 3.203
130 H TYR 20 H TYR 20 7.166 -8.330 -1.268
131 HA TYR 20 HA TYR 20 9.297 -8.983 -3.227
132 HB2 TYR 20 HB3 TYR 20 6.439 -9.964 -2.972
133 HB3 TYR 20 HB2 TYR 20 7.610 -10.542 -4.161
134 HD1 TYR 20 HD1 TYR 20 9.997 -11.166 -3.058
135 HD2 TYR 20 HD2 TYR 20 6.217 -11.231 -1.025
136 HE1 TYR 20 HE1 TYR 20 10.928 -12.744 -1.388
137 HE2 TYR 20 HE2 TYR 20 7.143 -12.805 0.651
138 HH TYR 20 HH TYR 20 9.295 -14.639 0.457
139 H SER 21 H SER 21 6.176 -7.273 -3.013
140 HA SER 21 HA SER 21 6.827 -6.072 -5.675
141 HB2 SER 21 HB3 SER 21 4.788 -7.830 -5.334
142 HB3 SER 21 HB2 SER 21 3.960 -6.323 -4.961
143 HG SER 21 HG SER 21 5.638 -6.536 -7.213
144 HA PRO 22 HA PRO 22 5.923 -2.786 -2.495
145 HB2 PRO 22 HB3 PRO 22 8.291 -1.441 -2.746
146 HB3 PRO 22 HB2 PRO 22 8.044 -2.769 -1.597
147 HG2 PRO 22 HG3 PRO 22 9.450 -2.761 -4.204
148 HG3 PRO 22 HG2 PRO 22 9.797 -3.681 -2.734
149 HD2 PRO 22 HD3 PRO 22 8.524 -4.712 -4.980
150 HD3 PRO 22 HD2 PRO 22 8.419 -5.408 -3.349
151 H LYS 23 H LYS 23 7.093 -2.915 -5.742
152 HA LYS 23 HA LYS 23 6.922 -0.196 -6.522
153 HB2 LYS 23 HB3 LYS 23 6.386 -2.712 -8.119
154 HB3 LYS 23 HB2 LYS 23 6.595 -1.105 -8.821
155 HG2 LYS 23 HG3 LYS 23 8.849 -0.982 -7.722
156 HG3 LYS 23 HG2 LYS 23 8.634 -2.648 -7.190
157 HD2 LYS 23 HD3 LYS 23 8.388 -3.365 -9.542
158 HD3 LYS 23 HD2 LYS 23 8.637 -1.700 -10.070
159 HE2 LYS 23 HE3 LYS 23 10.873 -1.682 -9.105
160 HE3 LYS 23 HE2 LYS 23 10.626 -3.294 -8.433
161 HZ1 LYS 23 HZ1 LYS 23 10.130 -3.098 -11.267
162 HZ2 LYS 23 HZ2 LYS 23 11.012 -4.259 -10.395
163 HZ3 LYS 23 HZ3 LYS 23 11.740 -2.785 -10.828
164 H TYR 24 H TYR 24 4.361 -2.665 -6.247
165 HA TYR 24 HA TYR 24 2.418 -0.575 -7.141
166 HB2 TYR 24 HB3 TYR 24 1.824 -3.509 -6.727
167 HB3 TYR 24 HB2 TYR 24 0.912 -2.340 -7.678
168 HD1 TYR 24 HD1 TYR 24 4.017 -4.345 -7.514
169 HD2 TYR 24 HD2 TYR 24 1.592 -1.734 -9.921
170 HE1 TYR 24 HE1 TYR 24 5.365 -4.929 -9.512
171 HE2 TYR 24 HE2 TYR 24 2.942 -2.322 -11.915
172 HH TYR 24 HH TYR 24 5.888 -3.691 -11.802
173 H MET 25 H MET 25 3.447 -2.454 -4.377
174 HA MET 25 HA MET 25 0.994 -2.116 -2.862
175 HB2 MET 25 HB3 MET 25 3.858 -2.586 -2.003
176 HB3 MET 25 HB2 MET 25 2.511 -2.504 -0.878
177 HG2 MET 25 HG3 MET 25 2.673 -4.431 -3.208
178 HG3 MET 25 HG2 MET 25 3.071 -4.847 -1.543
179 HE1 MET 25 HE1 MET 25 1.180 -3.631 0.349
180 HE2 MET 25 HE2 MET 25 1.496 -5.359 0.274
181 HE3 MET 25 HE3 MET 25 -0.162 -4.780 0.383
182 H GLY 26 H GLY 26 4.038 -0.318 -3.131
183 HA2 GLY 26 HA3 GLY 26 3.394 1.720 -1.235
184 HA3 GLY 26 HA2 GLY 26 4.553 1.892 -2.556
185 H HIS 27 H HIS 27 2.381 1.130 -4.507
186 HA HIS 27 HA HIS 27 1.351 3.858 -4.869
187 HB2 HIS 27 HB3 HIS 27 2.275 2.511 -6.770
188 HB3 HIS 27 HB2 HIS 27 0.919 1.398 -6.584
189 HD2 HIS 27 HD2 HIS 27 -1.600 2.436 -7.428
190 HE1 HIS 27 HE1 HIS 27 -0.083 6.055 -8.982
191 HE2 HIS 27 HE2 HIS 27 -2.130 4.568 -8.831
192 H TYR 28 H TYR 28 0.292 0.869 -3.561
193 HA TYR 28 HA TYR 28 -2.524 1.878 -3.554
194 HB2 TYR 28 HB3 TYR 28 -1.393 -0.874 -3.904
195 HB3 TYR 28 HB2 TYR 28 -2.978 -0.680 -3.148
196 HD1 TYR 28 HD2 TYR 28 -1.001 -0.073 -6.215
197 HD2 TYR 28 HD1 TYR 28 -4.890 0.058 -4.404
198 HE1 TYR 28 HE2 TYR 28 -2.032 0.244 -8.451
199 HE2 TYR 28 HE1 TYR 28 -5.921 0.383 -6.633
200 HH TYR 28 HH TYR 28 -4.159 1.229 -9.366
201 H CYS 29 H CYS 29 -0.249 -0.203 -1.735
202 HA CYS 29 HA CYS 29 -1.747 0.562 0.721
203 HB2 CYS 29 HB3 CYS 29 0.374 -1.571 0.516
204 HB3 CYS 29 HB2 CYS 29 -0.901 -1.408 1.720
205 H LYS 30 H LYS 30 -0.857 2.349 1.652
206 HA LYS 30 HA LYS 30 2.048 2.833 1.399
207 HB2 LYS 30 HB3 LYS 30 0.216 4.530 3.058
208 HB3 LYS 30 HB2 LYS 30 1.599 5.012 2.081
209 HG2 LYS 30 HG3 LYS 30 -1.063 4.041 1.002
210 HG3 LYS 30 HG2 LYS 30 -0.523 5.714 1.024
211 HD2 LYS 30 HD3 LYS 30 1.033 3.529 -0.373
212 HD3 LYS 30 HD2 LYS 30 -0.218 4.466 -1.178
213 HE2 LYS 30 HE3 LYS 30 2.266 5.593 0.140
214 HE3 LYS 30 HE2 LYS 30 1.967 5.483 -1.594
215 HZ1 LYS 30 HZ1 LYS 30 0.542 7.135 0.400
216 HZ2 LYS 30 HZ2 LYS 30 -0.087 6.838 -1.149
217 HZ3 LYS 30 HZ3 LYS 30 1.392 7.655 -0.972
218 H LYS 31 H LYS 31 -0.310 2.560 4.059
219 HA LYS 31 HA LYS 31 1.643 2.456 6.149
220 HB2 LYS 31 HB3 LYS 31 -1.244 1.728 5.871
221 HB3 LYS 31 HB2 LYS 31 -0.373 1.163 7.296
222 HG2 LYS 31 HG3 LYS 31 -0.067 3.288 8.129
223 HG3 LYS 31 HG2 LYS 31 0.004 4.015 6.526
224 HD2 LYS 31 HD3 LYS 31 -2.177 4.560 6.634
225 HD3 LYS 31 HD2 LYS 31 -2.619 2.884 6.941
226 HE2 LYS 31 HE3 LYS 31 -1.504 4.615 9.146
227 HE3 LYS 31 HE2 LYS 31 -3.221 4.653 8.743
228 HZ1 LYS 31 HZ1 LYS 31 -3.542 2.719 9.738
229 HZ2 LYS 31 HZ2 LYS 31 -1.967 2.836 10.364
230 HZ3 LYS 31 HZ3 LYS 31 -2.251 1.985 8.921
231 H ALA 32 H ALA 32 0.007 -0.079 4.290
232 HA ALA 32 HA ALA 32 1.109 -2.297 5.714
233 HB1 ALA 32 HB1 ALA 32 -0.015 -3.560 4.188
234 HB2 ALA 32 HB2 ALA 32 0.610 -2.644 2.818
235 HB3 ALA 32 HB3 ALA 32 -0.747 -2.018 3.757
236 H CYS 33 H CYS 33 2.545 -0.096 3.494
237 HA CYS 33 HA CYS 33 4.805 -1.988 3.017
238 HB2 CYS 33 HB3 CYS 33 3.474 -0.059 1.362
239 HB3 CYS 33 HB2 CYS 33 5.151 0.431 1.569
240 H GLY 34 H GLY 34 6.929 -0.387 2.701
241 HA2 GLY 34 HA3 GLY 34 7.421 0.539 5.414
242 HA3 GLY 34 HA2 GLY 34 8.578 0.599 4.082
243 H LEU 35 H LEU 35 5.662 1.946 3.104
244 HA LEU 35 HA LEU 35 6.809 4.604 3.004
245 HB2 LEU 35 HB3 LEU 35 3.906 3.827 2.598
246 HB3 LEU 35 HB2 LEU 35 4.709 5.282 2.009
247 HG LEU 35 HG LEU 35 5.102 2.433 1.098
248 HD11 LEU 35 HD11 LEU 35 3.389 3.622 -0.091
249 HD12 LEU 35 HD12 LEU 35 4.803 3.568 -1.139
250 HD13 LEU 35 HD13 LEU 35 4.414 5.046 -0.258
251 HD21 LEU 35 HD21 LEU 35 6.941 3.473 -0.366
252 HD22 LEU 35 HD22 LEU 35 7.346 3.179 1.326
253 HD23 LEU 35 HD23 LEU 35 6.938 4.809 0.785
254 H CYS 36 H CYS 36 4.386 2.994 5.044
255 HA CYS 36 HA CYS 36 4.833 5.087 7.091
256 HB2 CYS 36 HB3 CYS 36 2.448 4.896 5.436
257 HB3 CYS 36 HB2 CYS 36 2.064 4.757 7.151
Start of MODEL 26
1 HA VAL 1 HA VAL 1 -1.304 11.390 5.468
2 HB VAL 1 HB VAL 1 -3.507 11.661 6.639
3 HG11 VAL 1 HG11 VAL 1 -4.422 8.969 5.913
4 HG12 VAL 1 HG12 VAL 1 -4.465 10.101 4.561
5 HG13 VAL 1 HG13 VAL 1 -5.340 10.468 6.048
6 HG21 VAL 1 HG21 VAL 1 -2.737 8.797 7.019
7 HG22 VAL 1 HG22 VAL 1 -2.974 10.062 8.222
8 HG23 VAL 1 HG23 VAL 1 -1.493 10.018 7.271
9 H CYS 2 H CYS 2 -1.086 8.867 5.912
10 HA CYS 2 HA CYS 2 -1.030 7.579 3.222
11 HB2 CYS 2 HB3 CYS 2 0.355 5.992 5.112
12 HB3 CYS 2 HB2 CYS 2 1.062 7.003 3.850
13 H GLU 3 H GLU 3 -2.263 5.766 2.847
14 HA GLU 3 HA GLU 3 -3.150 4.063 5.025
15 HB2 GLU 3 HB3 GLU 3 -5.479 4.483 4.982
16 HB3 GLU 3 HB2 GLU 3 -4.736 6.081 5.066
17 HG2 GLU 3 HG3 GLU 3 -4.922 6.247 2.576
18 HG3 GLU 3 HG2 GLU 3 -5.792 4.710 2.573
19 H ASP 4 H ASP 4 -4.349 2.193 4.230
20 HA ASP 4 HA ASP 4 -3.298 1.293 1.708
21 HB2 ASP 4 HB3 ASP 4 -4.757 -0.707 2.140
22 HB3 ASP 4 HB2 ASP 4 -3.653 -0.316 3.458
23 H LEU 5 H LEU 5 -4.112 1.642 -0.267
24 HA LEU 5 HA LEU 5 -6.677 2.942 -0.657
25 HB2 LEU 5 HB3 LEU 5 -4.754 1.668 -2.630
26 HB3 LEU 5 HB2 LEU 5 -6.153 2.647 -3.077
27 HG LEU 5 HG LEU 5 -3.829 3.593 -1.366
28 HD11 LEU 5 HD11 LEU 5 -4.115 3.342 -4.192
29 HD12 LEU 5 HD12 LEU 5 -2.810 4.137 -3.303
30 HD13 LEU 5 HD13 LEU 5 -4.232 5.059 -3.802
31 HD21 LEU 5 HD21 LEU 5 -6.484 4.719 -2.133
32 HD22 LEU 5 HD22 LEU 5 -5.113 5.828 -2.130
33 HD23 LEU 5 HD23 LEU 5 -5.550 4.959 -0.657
34 H ASN 6 H ASN 6 -5.440 -0.358 -1.052
35 HA ASN 6 HA ASN 6 -8.184 -1.245 -1.810
36 HB2 ASN 6 HB3 ASN 6 -5.994 -1.906 -3.097
37 HB3 ASN 6 HB2 ASN 6 -5.768 -3.039 -1.765
38 HD21 ASN 6 HD21 ASN 6 -6.224 -4.952 -3.002
39 HD22 ASN 6 HD22 ASN 6 -7.762 -5.284 -3.642
40 H ALA 7 H ALA 7 -9.312 -2.662 -0.480
41 HA ALA 7 HA ALA 7 -8.549 -2.766 2.308
42 HB1 ALA 7 HB1 ALA 7 -10.851 -3.517 0.670
43 HB2 ALA 7 HB2 ALA 7 -10.797 -2.994 2.354
44 HB3 ALA 7 HB3 ALA 7 -10.527 -4.692 1.945
45 H HIS 8 H HIS 8 -7.654 -4.603 -0.402
46 HA HIS 8 HA HIS 8 -7.181 -7.088 1.124
47 HB2 HIS 8 HB3 HIS 8 -6.537 -6.327 -1.744
48 HB3 HIS 8 HB2 HIS 8 -6.265 -7.922 -1.043
49 HD2 HIS 8 HD2 HIS 8 -9.401 -7.410 0.607
50 HE1 HIS 8 HE1 HIS 8 -10.705 -8.202 -3.331
51 HE2 HIS 8 HE2 HIS 8 -11.432 -8.041 -0.906
52 H CYS 9 H CYS 9 -5.659 -4.166 0.910
53 HA CYS 9 HA CYS 9 -2.961 -4.613 0.368
54 HB2 CYS 9 HB3 CYS 9 -4.370 -2.881 2.376
55 HB3 CYS 9 HB2 CYS 9 -2.607 -2.963 2.380
56 H GLU 10 H GLU 10 -4.647 -5.250 3.452
57 HA GLU 10 HA GLU 10 -2.352 -6.249 4.826
58 HB2 GLU 10 HB3 GLU 10 -4.602 -5.627 5.844
59 HB3 GLU 10 HB2 GLU 10 -5.211 -7.170 5.242
60 HG2 GLU 10 HG3 GLU 10 -3.403 -8.336 6.506
61 HG3 GLU 10 HG2 GLU 10 -2.899 -6.780 7.169
62 H MET 11 H MET 11 -4.732 -7.782 2.707
63 HA MET 11 HA MET 11 -3.895 -10.486 3.112
64 HB2 MET 11 HB3 MET 11 -5.104 -9.195 0.650
65 HB3 MET 11 HB2 MET 11 -5.022 -10.927 0.958
66 HG2 MET 11 HG3 MET 11 -6.492 -8.885 2.647
67 HG3 MET 11 HG2 MET 11 -7.233 -10.081 1.585
68 HE1 MET 11 HE1 MET 11 -6.692 -12.437 1.621
69 HE2 MET 11 HE2 MET 11 -6.564 -13.424 3.072
70 HE3 MET 11 HE3 MET 11 -5.110 -12.740 2.353
71 H TRP 12 H TRP 12 -2.710 -7.918 0.994
72 HA TRP 12 HA TRP 12 -0.859 -9.759 -0.365
73 HB2 TRP 12 HB3 TRP 12 -1.002 -6.742 -0.517
74 HB3 TRP 12 HB2 TRP 12 -0.184 -7.814 -1.645
75 HD1 TRP 12 HD1 TRP 12 -2.764 -9.948 -1.478
76 HE1 TRP 12 HE1 TRP 12 -4.788 -9.385 -2.971
77 HE3 TRP 12 HE3 TRP 12 -1.886 -4.987 -2.323
78 HZ2 TRP 12 HZ2 TRP 12 -5.891 -7.127 -4.345
79 HZ3 TRP 12 HZ3 TRP 12 -3.436 -3.657 -3.726
80 HH2 TRP 12 HH2 TRP 12 -5.432 -4.720 -4.740
81 H GLN 13 H GLN 13 -0.626 -7.070 1.975
82 HA GLN 13 HA GLN 13 2.248 -7.110 2.082
83 HB2 GLN 13 HB3 GLN 13 2.051 -5.559 3.815
84 HB3 GLN 13 HB2 GLN 13 0.542 -5.318 2.931
85 HG2 GLN 13 HG3 GLN 13 -0.231 -5.505 5.130
86 HG3 GLN 13 HG2 GLN 13 -0.370 -7.170 4.563
87 HE21 GLN 13 HE21 GLN 13 0.045 -8.169 6.641
88 HE22 GLN 13 HE22 GLN 13 1.554 -8.057 7.407
89 H GLN 14 H GLN 14 -0.269 -8.850 3.823
90 HA GLN 14 HA GLN 14 1.450 -9.949 5.834
91 HB2 GLN 14 HB3 GLN 14 -0.354 -11.360 6.389
92 HB3 GLN 14 HB2 GLN 14 -1.138 -9.927 5.725
93 HG2 GLN 14 HG3 GLN 14 -1.115 -11.116 3.472
94 HG3 GLN 14 HG2 GLN 14 -0.656 -12.575 4.351
95 HE21 GLN 14 HE21 GLN 14 -2.908 -10.032 5.522
96 HE22 GLN 14 HE22 GLN 14 -4.269 -11.047 5.586
97 H LEU 15 H LEU 15 0.756 -10.782 2.508
98 HA LEU 15 HA LEU 15 2.175 -13.349 2.674
99 HB2 LEU 15 HB3 LEU 15 1.105 -11.762 0.326
100 HB3 LEU 15 HB2 LEU 15 1.834 -13.362 0.191
101 HG LEU 15 HG LEU 15 -0.633 -12.658 1.816
102 HD11 LEU 15 HD11 LEU 15 -0.685 -14.624 -0.409
103 HD12 LEU 15 HD12 LEU 15 -0.506 -12.931 -0.874
104 HD13 LEU 15 HD13 LEU 15 -1.900 -13.441 0.077
105 HD21 LEU 15 HD21 LEU 15 1.079 -15.108 1.585
106 HD22 LEU 15 HD22 LEU 15 -0.664 -15.326 1.733
107 HD23 LEU 15 HD23 LEU 15 0.227 -14.467 2.992
108 H GLY 16 H GLY 16 3.047 -10.105 2.491
109 HA2 GLY 16 HA3 GLY 16 5.343 -9.378 2.525
110 HA3 GLY 16 HA2 GLY 16 5.798 -10.868 1.704
111 H HIS 17 H HIS 17 3.069 -9.426 0.264
112 HA HIS 17 HA HIS 17 4.243 -9.054 -2.250
113 HB2 HIS 17 HB3 HIS 17 1.902 -7.647 -0.958
114 HB3 HIS 17 HB2 HIS 17 2.366 -7.356 -2.634
115 HD2 HIS 17 HD2 HIS 17 2.503 -10.965 -1.083
116 HE1 HIS 17 HE1 HIS 17 -0.487 -10.929 -4.064
117 HE2 HIS 17 HE2 HIS 17 0.826 -12.402 -2.472
118 H CYS 18 H CYS 18 4.350 -6.940 0.544
119 HA CYS 18 HA CYS 18 5.389 -4.659 -0.954
120 HB2 CYS 18 HB3 CYS 18 4.936 -5.360 1.913
121 HB3 CYS 18 HB2 CYS 18 6.155 -4.132 1.570
122 H GLN 19 H GLN 19 6.663 -7.291 1.010
123 HA GLN 19 HA GLN 19 9.433 -6.483 0.814
124 HB2 GLN 19 HB3 GLN 19 8.494 -8.023 2.568
125 HB3 GLN 19 HB2 GLN 19 8.293 -9.246 1.314
126 HG2 GLN 19 HG3 GLN 19 10.736 -9.112 0.837
127 HG3 GLN 19 HG2 GLN 19 10.907 -7.973 2.175
128 HE21 GLN 19 HE21 GLN 19 12.346 -10.307 2.454
129 HE22 GLN 19 HE22 GLN 19 11.609 -11.341 3.581
130 H TYR 20 H TYR 20 7.234 -8.403 -1.110
131 HA TYR 20 HA TYR 20 9.457 -9.248 -2.886
132 HB2 TYR 20 HB3 TYR 20 6.537 -10.052 -2.845
133 HB3 TYR 20 HB2 TYR 20 7.783 -10.759 -3.873
134 HD1 TYR 20 HD1 TYR 20 10.025 -11.389 -2.447
135 HD2 TYR 20 HD2 TYR 20 6.011 -11.261 -0.926
136 HE1 TYR 20 HE1 TYR 20 10.676 -12.916 -0.606
137 HE2 TYR 20 HE2 TYR 20 6.661 -12.793 0.915
138 HH TYR 20 HH TYR 20 8.418 -13.731 1.991
139 H SER 21 H SER 21 6.261 -7.630 -3.117
140 HA SER 21 HA SER 21 7.262 -6.380 -5.645
141 HB2 SER 21 HB3 SER 21 5.445 -8.254 -5.808
142 HB3 SER 21 HB2 SER 21 4.352 -7.009 -5.218
143 HG SER 21 HG SER 21 5.997 -6.109 -7.192
144 HA PRO 22 HA PRO 22 5.774 -3.164 -2.620
145 HB2 PRO 22 HB3 PRO 22 8.084 -1.673 -2.664
146 HB3 PRO 22 HB2 PRO 22 7.768 -2.975 -1.502
147 HG2 PRO 22 HG3 PRO 22 9.484 -2.961 -3.908
148 HG3 PRO 22 HG2 PRO 22 9.660 -3.861 -2.394
149 HD2 PRO 22 HD3 PRO 22 8.731 -4.937 -4.786
150 HD3 PRO 22 HD2 PRO 22 8.461 -5.644 -3.180
151 H LYS 23 H LYS 23 7.128 -3.208 -5.795
152 HA LYS 23 HA LYS 23 6.951 -0.477 -6.536
153 HB2 LYS 23 HB3 LYS 23 6.493 -2.962 -8.215
154 HB3 LYS 23 HB2 LYS 23 6.707 -1.340 -8.866
155 HG2 LYS 23 HG3 LYS 23 8.932 -1.227 -7.723
156 HG3 LYS 23 HG2 LYS 23 8.724 -2.908 -7.236
157 HD2 LYS 23 HD3 LYS 23 8.470 -3.529 -9.646
158 HD3 LYS 23 HD2 LYS 23 8.818 -1.856 -10.080
159 HE2 LYS 23 HE3 LYS 23 10.884 -3.092 -10.252
160 HE3 LYS 23 HE2 LYS 23 10.995 -2.077 -8.816
161 HZ1 LYS 23 HZ1 LYS 23 10.557 -3.899 -7.424
162 HZ2 LYS 23 HZ2 LYS 23 11.694 -4.470 -8.554
163 HZ3 LYS 23 HZ3 LYS 23 10.051 -4.883 -8.711
164 H TYR 24 H TYR 24 4.422 -2.944 -6.274
165 HA TYR 24 HA TYR 24 2.444 -0.969 -7.331
166 HB2 TYR 24 HB3 TYR 24 2.012 -3.902 -6.695
167 HB3 TYR 24 HB2 TYR 24 0.957 -2.850 -7.639
168 HD1 TYR 24 HD2 TYR 24 1.633 -2.092 -9.904
169 HD2 TYR 24 HD1 TYR 24 4.024 -4.836 -7.628
170 HE1 TYR 24 HE2 TYR 24 2.900 -2.686 -11.951
171 HE2 TYR 24 HE1 TYR 24 5.288 -5.433 -9.675
172 HH TYR 24 HH TYR 24 4.252 -4.537 -12.800
173 H MET 25 H MET 25 3.519 -2.513 -4.418
174 HA MET 25 HA MET 25 1.014 -2.145 -2.983
175 HB2 MET 25 HB3 MET 25 3.844 -2.629 -2.037
176 HB3 MET 25 HB2 MET 25 2.465 -2.520 -0.954
177 HG2 MET 25 HG3 MET 25 2.712 -4.494 -3.244
178 HG3 MET 25 HG2 MET 25 2.998 -4.880 -1.550
179 HE1 MET 25 HE1 MET 25 1.366 -5.262 0.181
180 HE2 MET 25 HE2 MET 25 -0.321 -4.756 0.180
181 HE3 MET 25 HE3 MET 25 0.950 -3.545 0.178
182 H GLY 26 H GLY 26 4.045 -0.347 -3.320
183 HA2 GLY 26 HA3 GLY 26 3.453 1.682 -1.412
184 HA3 GLY 26 HA2 GLY 26 4.558 1.872 -2.775
185 H HIS 27 H HIS 27 2.307 1.129 -4.651
186 HA HIS 27 HA HIS 27 1.271 3.871 -4.922
187 HB2 HIS 27 HB3 HIS 27 2.130 2.514 -6.876
188 HB3 HIS 27 HB2 HIS 27 0.715 1.477 -6.692
189 HD2 HIS 27 HD2 HIS 27 -1.716 2.612 -7.623
190 HE1 HIS 27 HE1 HIS 27 -0.077 6.314 -8.828
191 HE2 HIS 27 HE2 HIS 27 -2.156 4.861 -8.871
192 H TYR 28 H TYR 28 0.278 0.972 -3.490
193 HA TYR 28 HA TYR 28 -2.549 1.941 -3.476
194 HB2 TYR 28 HB3 TYR 28 -1.436 -0.818 -3.834
195 HB3 TYR 28 HB2 TYR 28 -3.008 -0.610 -3.058
196 HD1 TYR 28 HD2 TYR 28 -1.070 -0.070 -6.149
197 HD2 TYR 28 HD1 TYR 28 -4.938 0.191 -4.297
198 HE1 TYR 28 HE2 TYR 28 -2.111 0.264 -8.370
199 HE2 TYR 28 HE1 TYR 28 -5.979 0.524 -6.523
200 HH TYR 28 HH TYR 28 -4.095 1.149 -9.347
201 H CYS 29 H CYS 29 -0.176 -0.065 -1.708
202 HA CYS 29 HA CYS 29 -1.634 0.662 0.784
203 HB2 CYS 29 HB3 CYS 29 0.489 -1.454 0.601
204 HB3 CYS 29 HB2 CYS 29 -0.849 -1.323 1.739
205 H LYS 30 H LYS 30 -0.729 2.391 1.762
206 HA LYS 30 HA LYS 30 2.150 2.946 1.446
207 HB2 LYS 30 HB3 LYS 30 0.405 4.552 3.260
208 HB3 LYS 30 HB2 LYS 30 1.664 5.096 2.153
209 HG2 LYS 30 HG3 LYS 30 -1.111 4.129 1.404
210 HG3 LYS 30 HG2 LYS 30 -0.509 5.778 1.281
211 HD2 LYS 30 HD3 LYS 30 0.822 3.495 -0.195
212 HD3 LYS 30 HD2 LYS 30 -0.541 4.372 -0.880
213 HE2 LYS 30 HE3 LYS 30 2.127 5.533 -0.042
214 HE3 LYS 30 HE2 LYS 30 1.488 5.407 -1.681
215 HZ1 LYS 30 HZ1 LYS 30 -0.482 6.732 -0.512
216 HZ2 LYS 30 HZ2 LYS 30 0.836 7.506 -1.250
217 HZ3 LYS 30 HZ3 LYS 30 0.813 7.286 0.436
218 H LYS 31 H LYS 31 -0.136 2.506 4.160
219 HA LYS 31 HA LYS 31 1.872 2.315 6.189
220 HB2 LYS 31 HB3 LYS 31 -0.983 1.370 6.002
221 HB3 LYS 31 HB2 LYS 31 -0.009 1.104 7.447
222 HG2 LYS 31 HG3 LYS 31 0.155 3.371 7.927
223 HG3 LYS 31 HG2 LYS 31 -0.131 3.851 6.254
224 HD2 LYS 31 HD3 LYS 31 -2.241 4.279 6.938
225 HD3 LYS 31 HD2 LYS 31 -2.465 2.535 6.884
226 HE2 LYS 31 HE3 LYS 31 -1.727 4.225 9.283
227 HE3 LYS 31 HE2 LYS 31 -3.183 3.252 9.061
228 HZ1 LYS 31 HZ1 LYS 31 -0.478 2.056 9.020
229 HZ2 LYS 31 HZ2 LYS 31 -1.972 1.280 9.234
230 HZ3 LYS 31 HZ3 LYS 31 -1.341 2.263 10.463
231 H ALA 32 H ALA 32 0.034 -0.172 4.448
232 HA ALA 32 HA ALA 32 1.196 -2.436 5.660
233 HB1 ALA 32 HB1 ALA 32 -0.688 -2.062 3.747
234 HB2 ALA 32 HB2 ALA 32 0.055 -3.620 4.084
235 HB3 ALA 32 HB3 ALA 32 0.654 -2.632 2.754
236 H CYS 33 H CYS 33 2.514 -0.194 3.386
237 HA CYS 33 HA CYS 33 4.838 -2.000 2.913
238 HB2 CYS 33 HB3 CYS 33 3.378 -0.190 1.240
239 HB3 CYS 33 HB2 CYS 33 5.030 0.396 1.398
240 H GLY 34 H GLY 34 6.841 -0.237 2.489
241 HA2 GLY 34 HA3 GLY 34 7.284 0.835 5.183
242 HA3 GLY 34 HA2 GLY 34 8.468 0.792 3.876
243 H LEU 35 H LEU 35 5.218 2.200 3.543
244 HA LEU 35 HA LEU 35 6.588 4.791 2.991
245 HB2 LEU 35 HB3 LEU 35 3.704 4.054 2.450
246 HB3 LEU 35 HB2 LEU 35 4.597 5.423 1.794
247 HG LEU 35 HG LEU 35 4.965 2.493 1.167
248 HD11 LEU 35 HD11 LEU 35 3.351 3.535 -0.245
249 HD12 LEU 35 HD12 LEU 35 4.842 3.473 -1.184
250 HD13 LEU 35 HD13 LEU 35 4.340 4.982 -0.422
251 HD21 LEU 35 HD21 LEU 35 7.206 3.225 1.430
252 HD22 LEU 35 HD22 LEU 35 6.851 4.812 0.746
253 HD23 LEU 35 HD23 LEU 35 6.886 3.391 -0.297
254 H CYS 36 H CYS 36 4.386 3.205 5.155
255 HA CYS 36 HA CYS 36 4.547 5.413 7.042
256 HB2 CYS 36 HB3 CYS 36 2.405 5.389 5.136
257 HB3 CYS 36 HB2 CYS 36 1.741 5.081 6.739
Start of MODEL 27
1 HA VAL 1 HA VAL 1 -1.956 11.527 4.204
2 HB VAL 1 HB VAL 1 -4.168 12.491 3.696
3 HG11 VAL 1 HG11 VAL 1 -5.407 11.949 1.851
4 HG12 VAL 1 HG12 VAL 1 -4.870 10.270 1.855
5 HG13 VAL 1 HG13 VAL 1 -3.829 11.525 1.187
6 HG21 VAL 1 HG21 VAL 1 -4.995 9.693 3.755
7 HG22 VAL 1 HG22 VAL 1 -5.127 10.923 5.011
8 HG23 VAL 1 HG23 VAL 1 -3.636 9.999 4.841
9 H CYS 2 H CYS 2 -0.978 9.575 4.367
10 HA CYS 2 HA CYS 2 -1.051 7.755 2.006
11 HB2 CYS 2 HB3 CYS 2 0.756 6.570 3.532
12 HB3 CYS 2 HB2 CYS 2 1.188 8.004 2.602
13 H GLU 3 H GLU 3 -2.325 5.972 2.110
14 HA GLU 3 HA GLU 3 -2.751 4.535 4.608
15 HB2 GLU 3 HB3 GLU 3 -5.081 4.931 4.889
16 HB3 GLU 3 HB2 GLU 3 -4.371 6.526 4.656
17 HG2 GLU 3 HG3 GLU 3 -4.940 6.375 2.225
18 HG3 GLU 3 HG2 GLU 3 -5.768 4.851 2.550
19 H ASP 4 H ASP 4 -4.026 2.545 4.234
20 HA ASP 4 HA ASP 4 -3.305 1.216 1.854
21 HB2 ASP 4 HB3 ASP 4 -4.863 -0.551 2.555
22 HB3 ASP 4 HB2 ASP 4 -3.939 0.047 3.935
23 H LEU 5 H LEU 5 -4.333 0.847 -0.096
24 HA LEU 5 HA LEU 5 -6.741 2.537 -0.622
25 HB2 LEU 5 HB3 LEU 5 -4.624 1.435 -2.497
26 HB3 LEU 5 HB2 LEU 5 -6.030 2.364 -3.017
27 HG LEU 5 HG LEU 5 -3.904 3.341 -1.083
28 HD11 LEU 5 HD11 LEU 5 -4.013 3.274 -3.966
29 HD12 LEU 5 HD12 LEU 5 -2.737 3.907 -2.925
30 HD13 LEU 5 HD13 LEU 5 -4.075 4.948 -3.409
31 HD21 LEU 5 HD21 LEU 5 -5.696 4.631 -0.462
32 HD22 LEU 5 HD22 LEU 5 -6.549 4.360 -1.982
33 HD23 LEU 5 HD23 LEU 5 -5.243 5.542 -1.903
34 H ASN 6 H ASN 6 -5.430 -0.726 -0.901
35 HA ASN 6 HA ASN 6 -8.008 -1.633 -2.092
36 HB2 ASN 6 HB3 ASN 6 -5.687 -2.265 -3.056
37 HB3 ASN 6 HB2 ASN 6 -5.569 -3.352 -1.672
38 HD21 ASN 6 HD21 ASN 6 -6.600 -5.352 -1.863
39 HD22 ASN 6 HD22 ASN 6 -7.692 -5.761 -3.096
40 H ALA 7 H ALA 7 -9.317 -3.116 -0.978
41 HA ALA 7 HA ALA 7 -9.152 -3.159 1.880
42 HB1 ALA 7 HB1 ALA 7 -11.044 -4.609 1.814
43 HB2 ALA 7 HB2 ALA 7 -10.626 -5.205 0.207
44 HB3 ALA 7 HB3 ALA 7 -11.221 -3.556 0.412
45 H HIS 8 H HIS 8 -7.727 -5.157 -0.585
46 HA HIS 8 HA HIS 8 -7.030 -7.284 1.357
47 HB2 HIS 8 HB3 HIS 8 -6.442 -6.992 -1.602
48 HB3 HIS 8 HB2 HIS 8 -6.012 -8.393 -0.631
49 HD2 HIS 8 HD2 HIS 8 -9.202 -7.851 0.918
50 HE1 HIS 8 HE1 HIS 8 -10.376 -9.554 -2.764
51 HE2 HIS 8 HE2 HIS 8 -11.142 -8.975 -0.415
52 H CYS 9 H CYS 9 -5.921 -4.350 1.076
53 HA CYS 9 HA CYS 9 -3.207 -4.373 0.375
54 HB2 CYS 9 HB3 CYS 9 -4.948 -2.776 2.127
55 HB3 CYS 9 HB2 CYS 9 -3.247 -2.754 2.597
56 H GLU 10 H GLU 10 -4.545 -4.896 3.641
57 HA GLU 10 HA GLU 10 -2.090 -5.624 4.866
58 HB2 GLU 10 HB3 GLU 10 -4.960 -6.335 5.492
59 HB3 GLU 10 HB2 GLU 10 -3.613 -6.752 6.553
60 HG2 GLU 10 HG3 GLU 10 -4.249 -3.936 5.623
61 HG3 GLU 10 HG2 GLU 10 -4.743 -4.599 7.181
62 H MET 11 H MET 11 -4.559 -7.611 3.251
63 HA MET 11 HA MET 11 -3.419 -10.151 3.874
64 HB2 MET 11 HB3 MET 11 -4.987 -9.281 1.425
65 HB3 MET 11 HB2 MET 11 -4.688 -10.954 1.892
66 HG2 MET 11 HG3 MET 11 -6.191 -8.894 3.535
67 HG3 MET 11 HG2 MET 11 -6.910 -10.248 2.660
68 HE1 MET 11 HE1 MET 11 -6.129 -12.472 2.780
69 HE2 MET 11 HE2 MET 11 -5.900 -13.354 4.287
70 HE3 MET 11 HE3 MET 11 -4.507 -12.675 3.454
71 H TRP 12 H TRP 12 -2.787 -7.857 1.261
72 HA TRP 12 HA TRP 12 -0.978 -9.590 -0.173
73 HB2 TRP 12 HB3 TRP 12 -1.269 -6.581 -0.198
74 HB3 TRP 12 HB2 TRP 12 -0.363 -7.517 -1.378
75 HD1 TRP 12 HD1 TRP 12 -2.910 -9.829 -1.033
76 HE1 TRP 12 HE1 TRP 12 -4.924 -9.409 -2.583
77 HE3 TRP 12 HE3 TRP 12 -2.084 -4.940 -2.234
78 HZ2 TRP 12 HZ2 TRP 12 -6.039 -7.276 -4.127
79 HZ3 TRP 12 HZ3 TRP 12 -3.637 -3.734 -3.746
80 HH2 TRP 12 HH2 TRP 12 -5.612 -4.899 -4.693
81 H GLN 13 H GLN 13 -0.487 -6.961 2.185
82 HA GLN 13 HA GLN 13 2.377 -7.072 2.030
83 HB2 GLN 13 HB3 GLN 13 2.353 -5.490 3.710
84 HB3 GLN 13 HB2 GLN 13 0.704 -5.316 3.110
85 HG2 GLN 13 HG3 GLN 13 0.347 -5.520 5.406
86 HG3 GLN 13 HG2 GLN 13 0.157 -7.182 4.870
87 HE21 GLN 13 HE21 GLN 13 0.972 -8.261 6.737
88 HE22 GLN 13 HE22 GLN 13 2.561 -8.070 7.300
89 H GLN 14 H GLN 14 -0.029 -8.770 3.994
90 HA GLN 14 HA GLN 14 1.897 -10.010 5.737
91 HB2 GLN 14 HB3 GLN 14 0.106 -11.092 6.677
92 HB3 GLN 14 HB2 GLN 14 -0.777 -9.833 5.817
93 HG2 GLN 14 HG3 GLN 14 -0.847 -11.486 3.846
94 HG3 GLN 14 HG2 GLN 14 -0.373 -12.712 5.018
95 HE21 GLN 14 HE21 GLN 14 -2.321 -10.046 6.177
96 HE22 GLN 14 HE22 GLN 14 -3.774 -10.907 6.324
97 H LEU 15 H LEU 15 0.643 -10.755 2.539
98 HA LEU 15 HA LEU 15 1.881 -13.409 2.472
99 HB2 LEU 15 HB3 LEU 15 0.717 -11.647 0.294
100 HB3 LEU 15 HB2 LEU 15 1.324 -13.280 0.018
101 HG LEU 15 HG LEU 15 -0.886 -12.564 1.964
102 HD11 LEU 15 HD11 LEU 15 -1.638 -14.281 -0.241
103 HD12 LEU 15 HD12 LEU 15 -0.981 -12.757 -0.847
104 HD13 LEU 15 HD13 LEU 15 -2.352 -12.746 0.263
105 HD21 LEU 15 HD21 LEU 15 -1.160 -15.182 1.592
106 HD22 LEU 15 HD22 LEU 15 -0.039 -14.549 2.799
107 HD23 LEU 15 HD23 LEU 15 0.561 -15.071 1.224
108 H GLY 16 H GLY 16 3.026 -10.242 2.301
109 HA2 GLY 16 HA3 GLY 16 5.386 -9.761 2.143
110 HA3 GLY 16 HA2 GLY 16 5.594 -11.231 1.193
111 H HIS 17 H HIS 17 2.904 -9.345 0.205
112 HA HIS 17 HA HIS 17 3.872 -8.949 -2.415
113 HB2 HIS 17 HB3 HIS 17 1.778 -7.469 -0.819
114 HB3 HIS 17 HB2 HIS 17 2.103 -7.104 -2.515
115 HD2 HIS 17 HD2 HIS 17 2.110 -10.798 -1.148
116 HE1 HIS 17 HE1 HIS 17 -1.098 -10.396 -3.864
117 HE2 HIS 17 HE2 HIS 17 0.215 -12.036 -2.440
118 H CYS 18 H CYS 18 4.355 -7.011 0.481
119 HA CYS 18 HA CYS 18 5.445 -4.730 -0.967
120 HB2 CYS 18 HB3 CYS 18 5.257 -5.570 1.903
121 HB3 CYS 18 HB2 CYS 18 6.456 -4.350 1.469
122 H GLN 19 H GLN 19 6.707 -7.587 0.671
123 HA GLN 19 HA GLN 19 9.486 -6.921 0.269
124 HB2 GLN 19 HB3 GLN 19 8.619 -8.576 1.960
125 HB3 GLN 19 HB2 GLN 19 8.259 -9.666 0.621
126 HG2 GLN 19 HG3 GLN 19 10.645 -9.569 -0.071
127 HG3 GLN 19 HG2 GLN 19 10.989 -8.554 1.331
128 HE21 GLN 19 HE21 GLN 19 8.673 -10.407 2.592
129 HE22 GLN 19 HE22 GLN 19 9.574 -11.734 3.146
130 H TYR 20 H TYR 20 7.036 -8.641 -1.575
131 HA TYR 20 HA TYR 20 9.027 -9.418 -3.615
132 HB2 TYR 20 HB3 TYR 20 6.067 -10.001 -3.341
133 HB3 TYR 20 HB2 TYR 20 7.090 -10.620 -4.643
134 HD1 TYR 20 HD2 TYR 20 9.406 -11.689 -3.745
135 HD2 TYR 20 HD1 TYR 20 5.758 -11.380 -1.500
136 HE1 TYR 20 HE2 TYR 20 10.163 -13.524 -2.263
137 HE2 TYR 20 HE1 TYR 20 6.517 -13.215 -0.016
138 HH TYR 20 HH TYR 20 8.049 -15.037 0.018
139 H SER 21 H SER 21 6.022 -7.452 -3.427
140 HA SER 21 HA SER 21 7.010 -6.053 -5.877
141 HB2 SER 21 HB3 SER 21 4.896 -7.729 -5.966
142 HB3 SER 21 HB2 SER 21 4.072 -6.244 -5.500
143 HG SER 21 HG SER 21 5.344 -6.931 -7.853
144 HA PRO 22 HA PRO 22 5.965 -3.043 -2.451
145 HB2 PRO 22 HB3 PRO 22 8.356 -1.686 -2.593
146 HB3 PRO 22 HB2 PRO 22 8.058 -3.049 -1.499
147 HG2 PRO 22 HG3 PRO 22 9.516 -2.980 -4.082
148 HG3 PRO 22 HG2 PRO 22 9.834 -3.935 -2.625
149 HD2 PRO 22 HD3 PRO 22 8.639 -4.962 -4.876
150 HD3 PRO 22 HD2 PRO 22 8.381 -5.612 -3.244
151 H LYS 23 H LYS 23 7.220 -2.886 -5.682
152 HA LYS 23 HA LYS 23 7.038 -0.107 -6.204
153 HB2 LYS 23 HB3 LYS 23 8.066 -1.788 -7.734
154 HB3 LYS 23 HB2 LYS 23 6.444 -2.355 -8.144
155 HG2 LYS 23 HG3 LYS 23 5.857 -0.040 -8.862
156 HG3 LYS 23 HG2 LYS 23 7.525 0.444 -8.556
157 HD2 LYS 23 HD3 LYS 23 8.256 -1.347 -10.175
158 HD3 LYS 23 HD2 LYS 23 6.554 -1.586 -10.582
159 HE2 LYS 23 HE3 LYS 23 7.820 0.013 -12.106
160 HE3 LYS 23 HE2 LYS 23 6.338 0.657 -11.392
161 HZ1 LYS 23 HZ1 LYS 23 8.461 2.067 -11.285
162 HZ2 LYS 23 HZ2 LYS 23 8.935 1.010 -10.040
163 HZ3 LYS 23 HZ3 LYS 23 7.516 1.929 -9.883
164 H TYR 24 H TYR 24 4.492 -2.598 -6.176
165 HA TYR 24 HA TYR 24 2.556 -0.479 -7.008
166 HB2 TYR 24 HB3 TYR 24 2.057 -3.452 -6.725
167 HB3 TYR 24 HB2 TYR 24 1.041 -2.270 -7.552
168 HD1 TYR 24 HD2 TYR 24 4.336 -3.994 -7.648
169 HD2 TYR 24 HD1 TYR 24 1.498 -1.577 -9.780
170 HE1 TYR 24 HE2 TYR 24 5.610 -4.350 -9.747
171 HE2 TYR 24 HE1 TYR 24 2.772 -1.930 -11.879
172 HH TYR 24 HH TYR 24 4.852 -4.280 -12.381
173 H MET 25 H MET 25 3.549 -2.449 -4.302
174 HA MET 25 HA MET 25 1.086 -2.182 -2.798
175 HB2 MET 25 HB3 MET 25 3.951 -2.594 -1.905
176 HB3 MET 25 HB2 MET 25 2.565 -2.645 -0.822
177 HG2 MET 25 HG3 MET 25 2.897 -4.412 -3.264
178 HG3 MET 25 HG2 MET 25 3.256 -4.915 -1.613
179 HE1 MET 25 HE1 MET 25 1.936 -4.430 0.179
180 HE2 MET 25 HE2 MET 25 0.601 -5.574 0.227
181 HE3 MET 25 HE3 MET 25 0.269 -3.848 0.191
182 H GLY 26 H GLY 26 4.103 -0.334 -2.999
183 HA2 GLY 26 HA3 GLY 26 3.427 1.626 -1.040
184 HA3 GLY 26 HA2 GLY 26 4.582 1.864 -2.355
185 H HIS 27 H HIS 27 2.485 1.173 -4.365
186 HA HIS 27 HA HIS 27 1.377 3.882 -4.612
187 HB2 HIS 27 HB3 HIS 27 2.336 2.613 -6.561
188 HB3 HIS 27 HB2 HIS 27 0.981 1.490 -6.431
189 HD2 HIS 27 HD2 HIS 27 -1.535 2.558 -7.241
190 HE1 HIS 27 HE1 HIS 27 -0.005 6.227 -8.665
191 HE2 HIS 27 HE2 HIS 27 -2.063 4.752 -8.548
192 H TYR 28 H TYR 28 0.380 0.841 -3.402
193 HA TYR 28 HA TYR 28 -2.459 1.777 -3.414
194 HB2 TYR 28 HB3 TYR 28 -1.247 -0.932 -3.794
195 HB3 TYR 28 HB2 TYR 28 -2.853 -0.800 -3.066
196 HD1 TYR 28 HD2 TYR 28 -0.827 -0.089 -6.073
197 HD2 TYR 28 HD1 TYR 28 -4.756 -0.027 -4.339
198 HE1 TYR 28 HE2 TYR 28 -1.808 0.294 -8.315
199 HE2 TYR 28 HE1 TYR 28 -5.738 0.359 -6.584
200 HH TYR 28 HH TYR 28 -4.462 -0.289 -9.282
201 H CYS 29 H CYS 29 -0.121 -0.222 -1.593
202 HA CYS 29 HA CYS 29 -1.634 0.535 0.863
203 HB2 CYS 29 HB3 CYS 29 0.397 -1.681 0.679
204 HB3 CYS 29 HB2 CYS 29 -0.887 -1.463 1.863
205 H LYS 30 H LYS 30 -0.685 2.235 1.848
206 HA LYS 30 HA LYS 30 2.220 2.674 1.570
207 HB2 LYS 30 HB3 LYS 30 0.548 4.368 3.356
208 HB3 LYS 30 HB2 LYS 30 1.806 4.847 2.217
209 HG2 LYS 30 HG3 LYS 30 -0.979 3.903 1.465
210 HG3 LYS 30 HG2 LYS 30 -0.434 5.576 1.448
211 HD2 LYS 30 HD3 LYS 30 1.094 3.508 -0.113
212 HD3 LYS 30 HD2 LYS 30 -0.393 4.179 -0.775
213 HE2 LYS 30 HE3 LYS 30 1.970 5.823 0.178
214 HE3 LYS 30 HE2 LYS 30 1.609 5.456 -1.508
215 HZ1 LYS 30 HZ1 LYS 30 0.719 7.621 -0.228
216 HZ2 LYS 30 HZ2 LYS 30 -0.590 6.566 0.011
217 HZ3 LYS 30 HZ3 LYS 30 -0.062 6.924 -1.563
218 H LYS 31 H LYS 31 -0.117 2.432 4.249
219 HA LYS 31 HA LYS 31 1.806 2.198 6.341
220 HB2 LYS 31 HB3 LYS 31 -1.040 1.209 6.072
221 HB3 LYS 31 HB2 LYS 31 -0.127 1.128 7.576
222 HG2 LYS 31 HG3 LYS 31 -0.022 3.457 7.795
223 HG3 LYS 31 HG2 LYS 31 -0.321 3.726 6.078
224 HD2 LYS 31 HD3 LYS 31 -2.426 4.214 6.833
225 HD3 LYS 31 HD2 LYS 31 -2.618 2.468 6.727
226 HE2 LYS 31 HE3 LYS 31 -1.695 3.915 9.223
227 HE3 LYS 31 HE2 LYS 31 -3.364 3.425 8.924
228 HZ1 LYS 31 HZ1 LYS 31 -2.545 1.641 10.087
229 HZ2 LYS 31 HZ2 LYS 31 -0.993 1.752 9.404
230 HZ3 LYS 31 HZ3 LYS 31 -2.284 1.128 8.491
231 H ALA 32 H ALA 32 -0.009 -0.265 4.543
232 HA ALA 32 HA ALA 32 1.078 -2.541 5.811
233 HB1 ALA 32 HB1 ALA 32 -0.726 -2.150 3.813
234 HB2 ALA 32 HB2 ALA 32 -0.043 -3.718 4.220
235 HB3 ALA 32 HB3 ALA 32 0.643 -2.778 2.895
236 H CYS 33 H CYS 33 2.509 -0.309 3.589
237 HA CYS 33 HA CYS 33 4.825 -2.153 3.215
238 HB2 CYS 33 HB3 CYS 33 3.479 -0.402 1.422
239 HB3 CYS 33 HB2 CYS 33 5.070 0.285 1.714
240 H GLY 34 H GLY 34 6.904 -0.457 2.913
241 HA2 GLY 34 HA3 GLY 34 7.213 0.602 5.625
242 HA3 GLY 34 HA2 GLY 34 8.460 0.561 4.383
243 H LEU 35 H LEU 35 5.269 1.983 3.805
244 HA LEU 35 HA LEU 35 6.647 4.551 3.282
245 HB2 LEU 35 HB3 LEU 35 3.741 3.812 2.839
246 HB3 LEU 35 HB2 LEU 35 4.570 5.233 2.208
247 HG LEU 35 HG LEU 35 4.943 2.345 1.439
248 HD11 LEU 35 HD11 LEU 35 4.379 4.932 -0.014
249 HD12 LEU 35 HD12 LEU 35 3.357 3.504 0.084
250 HD13 LEU 35 HD13 LEU 35 4.846 3.455 -0.853
251 HD21 LEU 35 HD21 LEU 35 6.885 4.639 1.161
252 HD22 LEU 35 HD22 LEU 35 6.891 3.290 0.028
253 HD23 LEU 35 HD23 LEU 35 7.199 3.002 1.741
254 H CYS 36 H CYS 36 3.461 3.886 4.748
255 HA CYS 36 HA CYS 36 4.202 5.866 6.863
256 HB2 CYS 36 HB3 CYS 36 1.715 5.484 5.251
257 HB3 CYS 36 HB2 CYS 36 1.548 6.042 6.913
Start of MODEL 28
1 HA VAL 1 HA VAL 1 -1.383 11.724 3.944
2 HB VAL 1 HB VAL 1 -3.248 11.060 5.165
3 HG11 VAL 1 HG11 VAL 1 -4.666 12.666 3.040
4 HG12 VAL 1 HG12 VAL 1 -3.461 13.401 4.096
5 HG13 VAL 1 HG13 VAL 1 -4.920 12.690 4.785
6 HG21 VAL 1 HG21 VAL 1 -5.388 10.325 3.882
7 HG22 VAL 1 HG22 VAL 1 -4.037 9.192 3.946
8 HG23 VAL 1 HG23 VAL 1 -4.317 10.151 2.490
9 H CYS 2 H CYS 2 -1.059 9.475 4.713
10 HA CYS 2 HA CYS 2 -0.777 7.618 2.392
11 HB2 CYS 2 HB3 CYS 2 0.948 6.516 3.718
12 HB3 CYS 2 HB2 CYS 2 1.268 8.247 3.711
13 H GLU 3 H GLU 3 -2.132 5.866 2.313
14 HA GLU 3 HA GLU 3 -2.971 4.482 4.734
15 HB2 GLU 3 HB3 GLU 3 -5.310 4.940 4.670
16 HB3 GLU 3 HB2 GLU 3 -4.518 6.513 4.572
17 HG2 GLU 3 HG3 GLU 3 -4.708 6.383 2.069
18 HG3 GLU 3 HG2 GLU 3 -5.663 4.913 2.266
19 H ASP 4 H ASP 4 -4.245 2.531 4.222
20 HA ASP 4 HA ASP 4 -3.324 1.189 1.883
21 HB2 ASP 4 HB3 ASP 4 -4.994 -0.556 2.477
22 HB3 ASP 4 HB2 ASP 4 -4.036 -0.050 3.867
23 H LEU 5 H LEU 5 -4.211 0.958 -0.164
24 HA LEU 5 HA LEU 5 -6.648 2.591 -0.715
25 HB2 LEU 5 HB3 LEU 5 -4.480 1.539 -2.559
26 HB3 LEU 5 HB2 LEU 5 -5.882 2.466 -3.094
27 HG LEU 5 HG LEU 5 -3.815 3.428 -1.092
28 HD11 LEU 5 HD11 LEU 5 -3.858 3.416 -3.986
29 HD12 LEU 5 HD12 LEU 5 -2.597 4.002 -2.901
30 HD13 LEU 5 HD13 LEU 5 -3.911 5.073 -3.384
31 HD21 LEU 5 HD21 LEU 5 -5.104 5.643 -1.846
32 HD22 LEU 5 HD22 LEU 5 -5.702 4.645 -0.523
33 HD23 LEU 5 HD23 LEU 5 -6.411 4.495 -2.130
34 H ASN 6 H ASN 6 -5.309 -0.646 -0.931
35 HA ASN 6 HA ASN 6 -7.820 -1.588 -2.236
36 HB2 ASN 6 HB3 ASN 6 -5.536 -2.224 -3.169
37 HB3 ASN 6 HB2 ASN 6 -5.317 -3.201 -1.717
38 HD21 ASN 6 HD21 ASN 6 -7.401 -2.810 -4.595
39 HD22 ASN 6 HD22 ASN 6 -8.012 -4.393 -4.564
40 H ALA 7 H ALA 7 -9.158 -3.075 -1.173
41 HA ALA 7 HA ALA 7 -9.123 -3.110 1.693
42 HB1 ALA 7 HB1 ALA 7 -10.640 -4.589 -0.431
43 HB2 ALA 7 HB2 ALA 7 -11.247 -3.512 0.826
44 HB3 ALA 7 HB3 ALA 7 -10.738 -5.150 1.238
45 H HIS 8 H HIS 8 -7.666 -5.171 -0.720
46 HA HIS 8 HA HIS 8 -7.008 -7.251 1.285
47 HB2 HIS 8 HB3 HIS 8 -6.407 -7.014 -1.677
48 HB3 HIS 8 HB2 HIS 8 -5.922 -8.380 -0.678
49 HD2 HIS 8 HD2 HIS 8 -9.147 -7.945 0.857
50 HE1 HIS 8 HE1 HIS 8 -10.218 -9.772 -2.796
51 HE2 HIS 8 HE2 HIS 8 -11.023 -9.186 -0.462
52 H CYS 9 H CYS 9 -5.883 -4.330 0.957
53 HA CYS 9 HA CYS 9 -3.162 -4.373 0.288
54 HB2 CYS 9 HB3 CYS 9 -4.918 -2.738 1.994
55 HB3 CYS 9 HB2 CYS 9 -3.220 -2.703 2.471
56 H GLU 10 H GLU 10 -4.526 -4.819 3.561
57 HA GLU 10 HA GLU 10 -2.074 -5.534 4.795
58 HB2 GLU 10 HB3 GLU 10 -4.949 -6.187 5.454
59 HB3 GLU 10 HB2 GLU 10 -3.607 -6.657 6.501
60 HG2 GLU 10 HG3 GLU 10 -2.891 -4.255 6.566
61 HG3 GLU 10 HG2 GLU 10 -4.341 -3.839 5.650
62 H MET 11 H MET 11 -4.510 -7.542 3.152
63 HA MET 11 HA MET 11 -3.352 -10.060 3.853
64 HB2 MET 11 HB3 MET 11 -4.896 -9.290 1.354
65 HB3 MET 11 HB2 MET 11 -4.571 -10.940 1.887
66 HG2 MET 11 HG3 MET 11 -6.127 -8.864 3.454
67 HG3 MET 11 HG2 MET 11 -6.824 -10.228 2.580
68 HE1 MET 11 HE1 MET 11 -5.887 -13.312 4.304
69 HE2 MET 11 HE2 MET 11 -4.535 -12.672 3.376
70 HE3 MET 11 HE3 MET 11 -6.180 -12.461 2.782
71 H TRP 12 H TRP 12 -2.704 -7.785 1.229
72 HA TRP 12 HA TRP 12 -0.878 -9.517 -0.177
73 HB2 TRP 12 HB3 TRP 12 -1.163 -6.507 -0.210
74 HB3 TRP 12 HB2 TRP 12 -0.254 -7.450 -1.382
75 HD1 TRP 12 HD1 TRP 12 -2.781 -9.771 -0.999
76 HE1 TRP 12 HE1 TRP 12 -4.789 -9.399 -2.563
77 HE3 TRP 12 HE3 TRP 12 -1.992 -4.898 -2.295
78 HZ2 TRP 12 HZ2 TRP 12 -5.920 -7.309 -4.156
79 HZ3 TRP 12 HZ3 TRP 12 -3.548 -3.744 -3.836
80 HH2 TRP 12 HH2 TRP 12 -5.509 -4.941 -4.768
81 H GLN 13 H GLN 13 -0.393 -6.911 2.196
82 HA GLN 13 HA GLN 13 2.477 -7.035 2.082
83 HB2 GLN 13 HB3 GLN 13 2.427 -5.458 3.770
84 HB3 GLN 13 HB2 GLN 13 0.794 -5.270 3.130
85 HG2 GLN 13 HG3 GLN 13 0.389 -5.483 5.420
86 HG3 GLN 13 HG2 GLN 13 0.189 -7.140 4.865
87 HE21 GLN 13 HE21 GLN 13 1.008 -8.323 6.651
88 HE22 GLN 13 HE22 GLN 13 2.578 -8.124 7.271
89 H GLN 14 H GLN 14 0.033 -8.719 4.012
90 HA GLN 14 HA GLN 14 1.922 -9.978 5.782
91 HB2 GLN 14 HB3 GLN 14 0.095 -10.997 6.715
92 HB3 GLN 14 HB2 GLN 14 -0.760 -9.757 5.804
93 HG2 GLN 14 HG3 GLN 14 -0.788 -11.480 3.880
94 HG3 GLN 14 HG2 GLN 14 -0.389 -12.666 5.121
95 HE21 GLN 14 HE21 GLN 14 -2.264 -9.974 6.244
96 HE22 GLN 14 HE22 GLN 14 -3.763 -10.767 6.302
97 H LEU 15 H LEU 15 0.727 -10.672 2.566
98 HA LEU 15 HA LEU 15 1.924 -13.349 2.488
99 HB2 LEU 15 HB3 LEU 15 0.750 -11.551 0.354
100 HB3 LEU 15 HB2 LEU 15 1.376 -13.168 0.028
101 HG LEU 15 HG LEU 15 -0.830 -12.530 2.005
102 HD11 LEU 15 HD11 LEU 15 -1.549 -14.178 -0.270
103 HD12 LEU 15 HD12 LEU 15 -0.932 -12.614 -0.799
104 HD13 LEU 15 HD13 LEU 15 -2.301 -12.690 0.309
105 HD21 LEU 15 HD21 LEU 15 0.746 -14.938 1.322
106 HD22 LEU 15 HD22 LEU 15 -1.000 -15.185 1.393
107 HD23 LEU 15 HD23 LEU 15 -0.140 -14.555 2.799
108 H GLY 16 H GLY 16 3.109 -10.209 2.374
109 HA2 GLY 16 HA3 GLY 16 5.452 -9.712 2.171
110 HA3 GLY 16 HA2 GLY 16 5.660 -11.186 1.232
111 H HIS 17 H HIS 17 2.961 -9.326 0.230
112 HA HIS 17 HA HIS 17 3.952 -8.926 -2.390
113 HB2 HIS 17 HB3 HIS 17 1.789 -7.517 -0.831
114 HB3 HIS 17 HB2 HIS 17 2.126 -7.138 -2.519
115 HD2 HIS 17 HD2 HIS 17 2.122 -10.843 -1.122
116 HE1 HIS 17 HE1 HIS 17 -1.009 -10.459 -3.929
117 HE2 HIS 17 HE2 HIS 17 0.242 -12.086 -2.435
118 H CYS 18 H CYS 18 4.335 -6.967 0.510
119 HA CYS 18 HA CYS 18 5.339 -4.633 -0.922
120 HB2 CYS 18 HB3 CYS 18 5.129 -5.499 1.930
121 HB3 CYS 18 HB2 CYS 18 6.338 -4.276 1.545
122 H GLN 19 H GLN 19 6.711 -7.411 0.755
123 HA GLN 19 HA GLN 19 9.462 -6.627 0.340
124 HB2 GLN 19 HB3 GLN 19 8.622 -8.231 2.110
125 HB3 GLN 19 HB2 GLN 19 8.382 -9.413 0.822
126 HG2 GLN 19 HG3 GLN 19 10.785 -9.178 0.205
127 HG3 GLN 19 HG2 GLN 19 10.999 -8.089 1.576
128 HE21 GLN 19 HE21 GLN 19 8.742 -10.118 2.758
129 HE22 GLN 19 HE22 GLN 19 9.725 -11.328 3.425
130 H TYR 20 H TYR 20 7.086 -8.504 -1.438
131 HA TYR 20 HA TYR 20 9.130 -9.253 -3.450
132 HB2 TYR 20 HB3 TYR 20 6.233 -10.071 -3.113
133 HB3 TYR 20 HB2 TYR 20 7.298 -10.665 -4.388
134 HD1 TYR 20 HD1 TYR 20 9.719 -11.447 -3.429
135 HD2 TYR 20 HD2 TYR 20 6.027 -11.421 -1.231
136 HE1 TYR 20 HE1 TYR 20 10.637 -13.141 -1.865
137 HE2 TYR 20 HE2 TYR 20 6.946 -13.114 0.332
138 HH TYR 20 HH TYR 20 8.988 -14.013 1.075
139 H SER 21 H SER 21 5.977 -7.548 -3.299
140 HA SER 21 HA SER 21 6.757 -6.250 -5.885
141 HB2 SER 21 HB3 SER 21 4.685 -7.968 -5.647
142 HB3 SER 21 HB2 SER 21 3.870 -6.467 -5.227
143 HG SER 21 HG SER 21 5.468 -6.015 -7.305
144 HA PRO 22 HA PRO 22 5.966 -3.053 -2.550
145 HB2 PRO 22 HB3 PRO 22 8.323 -1.699 -2.978
146 HB3 PRO 22 HB2 PRO 22 8.136 -2.995 -1.784
147 HG2 PRO 22 HG3 PRO 22 9.366 -3.064 -4.479
148 HG3 PRO 22 HG2 PRO 22 9.816 -3.935 -3.005
149 HD2 PRO 22 HD3 PRO 22 8.444 -5.087 -5.092
150 HD3 PRO 22 HD2 PRO 22 8.334 -5.655 -3.413
151 H LYS 23 H LYS 23 6.969 -3.074 -5.869
152 HA LYS 23 HA LYS 23 6.732 -0.329 -6.531
153 HB2 LYS 23 HB3 LYS 23 6.119 -2.772 -8.221
154 HB3 LYS 23 HB2 LYS 23 6.320 -1.135 -8.846
155 HG2 LYS 23 HG3 LYS 23 8.621 -1.086 -7.897
156 HG3 LYS 23 HG2 LYS 23 8.413 -2.758 -7.372
157 HD2 LYS 23 HD3 LYS 23 8.020 -3.436 -9.726
158 HD3 LYS 23 HD2 LYS 23 8.267 -1.766 -10.236
159 HE2 LYS 23 HE3 LYS 23 10.272 -3.507 -10.275
160 HE3 LYS 23 HE2 LYS 23 10.543 -1.825 -9.819
161 HZ1 LYS 23 HZ1 LYS 23 10.349 -2.428 -7.512
162 HZ2 LYS 23 HZ2 LYS 23 11.534 -3.399 -8.249
163 HZ3 LYS 23 HZ3 LYS 23 9.994 -4.036 -7.917
164 H TYR 24 H TYR 24 4.232 -2.838 -6.185
165 HA TYR 24 HA TYR 24 2.206 -0.800 -6.995
166 HB2 TYR 24 HB3 TYR 24 1.778 -3.753 -6.478
167 HB3 TYR 24 HB2 TYR 24 0.679 -2.638 -7.290
168 HD1 TYR 24 HD1 TYR 24 3.921 -4.409 -7.559
169 HD2 TYR 24 HD2 TYR 24 0.987 -2.023 -9.594
170 HE1 TYR 24 HE1 TYR 24 5.011 -4.916 -9.726
171 HE2 TYR 24 HE2 TYR 24 2.080 -2.527 -11.761
172 HH TYR 24 HH TYR 24 3.884 -4.879 -12.401
173 H MET 25 H MET 25 3.435 -2.545 -4.223
174 HA MET 25 HA MET 25 1.033 -2.165 -2.618
175 HB2 MET 25 HB3 MET 25 3.917 -2.627 -1.799
176 HB3 MET 25 HB2 MET 25 2.552 -2.612 -0.687
177 HG2 MET 25 HG3 MET 25 2.853 -4.487 -3.048
178 HG3 MET 25 HG2 MET 25 3.158 -4.920 -1.369
179 HE1 MET 25 HE1 MET 25 0.870 -5.706 0.352
180 HE2 MET 25 HE2 MET 25 -0.100 -4.238 0.382
181 HE3 MET 25 HE3 MET 25 1.654 -4.124 0.388
182 H GLY 26 H GLY 26 4.145 -0.459 -2.926
183 HA2 GLY 26 HA3 GLY 26 3.592 1.606 -1.053
184 HA3 GLY 26 HA2 GLY 26 4.715 1.753 -2.408
185 H HIS 27 H HIS 27 2.521 1.086 -4.338
186 HA HIS 27 HA HIS 27 1.507 3.836 -4.585
187 HB2 HIS 27 HB3 HIS 27 2.416 2.554 -6.551
188 HB3 HIS 27 HB2 HIS 27 1.023 1.477 -6.419
189 HD2 HIS 27 HD2 HIS 27 -1.423 2.572 -7.319
190 HE1 HIS 27 HE1 HIS 27 0.125 6.331 -8.459
191 HE2 HIS 27 HE2 HIS 27 -1.918 4.826 -8.530
192 H TYR 28 H TYR 28 0.396 0.797 -3.424
193 HA TYR 28 HA TYR 28 -2.409 1.832 -3.447
194 HB2 TYR 28 HB3 TYR 28 -1.274 -0.912 -3.819
195 HB3 TYR 28 HB2 TYR 28 -2.871 -0.741 -3.082
196 HD1 TYR 28 HD2 TYR 28 -0.846 -0.007 -6.099
197 HD2 TYR 28 HD1 TYR 28 -4.776 -0.031 -4.361
198 HE1 TYR 28 HE2 TYR 28 -1.840 0.374 -8.341
199 HE2 TYR 28 HE1 TYR 28 -5.769 0.354 -6.605
200 HH TYR 28 HH TYR 28 -5.259 0.135 -8.901
201 H CYS 29 H CYS 29 -0.105 -0.168 -1.597
202 HA CYS 29 HA CYS 29 -1.647 0.561 0.849
203 HB2 CYS 29 HB3 CYS 29 0.422 -1.624 0.688
204 HB3 CYS 29 HB2 CYS 29 -0.908 -1.445 1.830
205 H LYS 30 H LYS 30 -0.714 2.291 1.814
206 HA LYS 30 HA LYS 30 2.189 2.735 1.554
207 HB2 LYS 30 HB3 LYS 30 0.489 4.467 3.280
208 HB3 LYS 30 HB2 LYS 30 1.757 4.925 2.145
209 HG2 LYS 30 HG3 LYS 30 -1.014 3.945 1.388
210 HG3 LYS 30 HG2 LYS 30 -0.471 5.618 1.327
211 HD2 LYS 30 HD3 LYS 30 1.004 3.453 -0.176
212 HD3 LYS 30 HD2 LYS 30 -0.407 4.247 -0.872
213 HE2 LYS 30 HE3 LYS 30 2.197 5.531 -0.024
214 HE3 LYS 30 HE2 LYS 30 1.501 5.474 -1.642
215 HZ1 LYS 30 HZ1 LYS 30 0.795 7.164 0.627
216 HZ2 LYS 30 HZ2 LYS 30 -0.478 6.643 -0.370
217 HZ3 LYS 30 HZ3 LYS 30 0.817 7.524 -1.030
218 H LYS 31 H LYS 31 -0.181 2.477 4.209
219 HA LYS 31 HA LYS 31 1.725 2.284 6.333
220 HB2 LYS 31 HB3 LYS 31 -1.106 1.262 6.028
221 HB3 LYS 31 HB2 LYS 31 -0.209 1.167 7.541
222 HG2 LYS 31 HG3 LYS 31 -0.158 3.488 7.812
223 HG3 LYS 31 HG2 LYS 31 -0.429 3.793 6.096
224 HD2 LYS 31 HD3 LYS 31 -2.560 4.210 6.806
225 HD3 LYS 31 HD2 LYS 31 -2.711 2.461 6.692
226 HE2 LYS 31 HE3 LYS 31 -3.531 3.330 8.869
227 HE3 LYS 31 HE2 LYS 31 -2.169 2.228 9.064
228 HZ1 LYS 31 HZ1 LYS 31 -1.011 4.673 8.743
229 HZ2 LYS 31 HZ2 LYS 31 -1.223 3.857 10.217
230 HZ3 LYS 31 HZ3 LYS 31 -2.367 5.007 9.708
231 H ALA 32 H ALA 32 -0.060 -0.200 4.526
232 HA ALA 32 HA ALA 32 1.055 -2.465 5.791
233 HB1 ALA 32 HB1 ALA 32 0.597 -2.748 2.890
234 HB2 ALA 32 HB2 ALA 32 -0.761 -2.057 3.779
235 HB3 ALA 32 HB3 ALA 32 -0.124 -3.631 4.236
236 H CYS 33 H CYS 33 2.432 -0.217 3.534
237 HA CYS 33 HA CYS 33 4.780 -2.027 3.178
238 HB2 CYS 33 HB3 CYS 33 3.419 -0.263 1.382
239 HB3 CYS 33 HB2 CYS 33 5.038 0.365 1.647
240 H GLY 34 H GLY 34 6.833 -0.390 2.873
241 HA2 GLY 34 HA3 GLY 34 7.181 0.734 5.533
242 HA3 GLY 34 HA2 GLY 34 8.392 0.714 4.252
243 H LEU 35 H LEU 35 5.174 2.058 3.673
244 HA LEU 35 HA LEU 35 6.507 4.689 3.273
245 HB2 LEU 35 HB3 LEU 35 3.663 3.890 2.620
246 HB3 LEU 35 HB2 LEU 35 4.523 5.313 2.041
247 HG LEU 35 HG LEU 35 4.977 2.427 1.309
248 HD11 LEU 35 HD11 LEU 35 4.872 3.481 -0.991
249 HD12 LEU 35 HD12 LEU 35 4.392 4.977 -0.194
250 HD13 LEU 35 HD13 LEU 35 3.373 3.546 -0.066
251 HD21 LEU 35 HD21 LEU 35 7.200 3.169 1.678
252 HD22 LEU 35 HD22 LEU 35 6.853 4.782 1.055
253 HD23 LEU 35 HD23 LEU 35 6.938 3.409 -0.049
254 H CYS 36 H CYS 36 4.263 3.026 5.336
255 HA CYS 36 HA CYS 36 4.243 5.306 7.179
256 HB2 CYS 36 HB3 CYS 36 2.059 4.829 5.315
257 HB3 CYS 36 HB2 CYS 36 1.510 4.725 6.986
Start of MODEL 29
1 HA VAL 1 HA VAL 1 -1.945 11.517 4.838
2 HB VAL 1 HB VAL 1 -3.361 12.178 2.276
3 HG11 VAL 1 HG11 VAL 1 -5.241 10.671 3.222
4 HG12 VAL 1 HG12 VAL 1 -3.957 9.888 4.141
5 HG13 VAL 1 HG13 VAL 1 -3.908 9.885 2.379
6 HG21 VAL 1 HG21 VAL 1 -3.389 13.546 4.474
7 HG22 VAL 1 HG22 VAL 1 -4.395 12.248 5.120
8 HG23 VAL 1 HG23 VAL 1 -4.947 13.184 3.729
9 H CYS 2 H CYS 2 -1.591 9.337 5.110
10 HA CYS 2 HA CYS 2 -0.956 7.730 2.669
11 HB2 CYS 2 HB3 CYS 2 0.852 6.629 3.842
12 HB3 CYS 2 HB2 CYS 2 1.120 8.368 3.946
13 H GLU 3 H GLU 3 -2.243 5.925 2.574
14 HA GLU 3 HA GLU 3 -2.949 4.444 4.975
15 HB2 GLU 3 HB3 GLU 3 -5.268 4.883 5.101
16 HB3 GLU 3 HB2 GLU 3 -4.554 6.482 4.881
17 HG2 GLU 3 HG3 GLU 3 -4.939 6.208 2.398
18 HG3 GLU 3 HG2 GLU 3 -5.861 4.749 2.773
19 H ASP 4 H ASP 4 -4.194 2.474 4.415
20 HA ASP 4 HA ASP 4 -3.267 1.298 1.999
21 HB2 ASP 4 HB3 ASP 4 -4.768 -0.563 2.524
22 HB3 ASP 4 HB2 ASP 4 -3.969 -0.003 3.992
23 H LEU 5 H LEU 5 -4.242 1.006 -0.014
24 HA LEU 5 HA LEU 5 -6.660 2.687 -0.480
25 HB2 LEU 5 HB3 LEU 5 -4.537 1.713 -2.421
26 HB3 LEU 5 HB2 LEU 5 -5.934 2.695 -2.860
27 HG LEU 5 HG LEU 5 -3.804 3.502 -0.867
28 HD11 LEU 5 HD11 LEU 5 -3.872 5.283 -3.023
29 HD12 LEU 5 HD12 LEU 5 -3.959 3.684 -3.764
30 HD13 LEU 5 HD13 LEU 5 -2.616 4.090 -2.690
31 HD21 LEU 5 HD21 LEU 5 -5.080 5.777 -1.500
32 HD22 LEU 5 HD22 LEU 5 -5.621 4.743 -0.175
33 HD23 LEU 5 HD23 LEU 5 -6.410 4.646 -1.749
34 H ASN 6 H ASN 6 -5.288 -0.522 -0.839
35 HA ASN 6 HA ASN 6 -7.826 -1.414 -2.122
36 HB2 ASN 6 HB3 ASN 6 -5.462 -2.006 -3.024
37 HB3 ASN 6 HB2 ASN 6 -5.413 -3.166 -1.693
38 HD21 ASN 6 HD21 ASN 6 -6.397 -5.157 -2.116
39 HD22 ASN 6 HD22 ASN 6 -7.485 -5.457 -3.382
40 H ALA 7 H ALA 7 -9.168 -2.900 -1.057
41 HA ALA 7 HA ALA 7 -9.025 -3.019 1.809
42 HB1 ALA 7 HB1 ALA 7 -10.778 -4.092 -0.295
43 HB2 ALA 7 HB2 ALA 7 -11.192 -3.549 1.336
44 HB3 ALA 7 HB3 ALA 7 -10.593 -5.189 1.074
45 H HIS 8 H HIS 8 -7.761 -5.020 -0.743
46 HA HIS 8 HA HIS 8 -7.061 -7.220 1.093
47 HB2 HIS 8 HB3 HIS 8 -6.392 -6.778 -1.840
48 HB3 HIS 8 HB2 HIS 8 -6.079 -8.258 -0.941
49 HD2 HIS 8 HD2 HIS 8 -9.252 -7.797 0.563
50 HE1 HIS 8 HE1 HIS 8 -10.413 -9.021 -3.308
51 HE2 HIS 8 HE2 HIS 8 -11.190 -8.723 -0.914
52 H CYS 9 H CYS 9 -5.893 -4.288 0.990
53 HA CYS 9 HA CYS 9 -3.184 -4.330 0.304
54 HB2 CYS 9 HB3 CYS 9 -4.875 -2.825 2.198
55 HB3 CYS 9 HB2 CYS 9 -3.154 -2.843 2.591
56 H GLU 10 H GLU 10 -4.547 -5.036 3.527
57 HA GLU 10 HA GLU 10 -2.088 -5.971 4.642
58 HB2 GLU 10 HB3 GLU 10 -4.987 -6.437 5.342
59 HB3 GLU 10 HB2 GLU 10 -3.663 -7.051 6.336
60 HG2 GLU 10 HG3 GLU 10 -4.082 -4.146 5.571
61 HG3 GLU 10 HG2 GLU 10 -4.481 -4.841 7.143
62 H MET 11 H MET 11 -4.657 -7.569 2.838
63 HA MET 11 HA MET 11 -3.848 -10.267 3.322
64 HB2 MET 11 HB3 MET 11 -5.193 -9.026 0.901
65 HB3 MET 11 HB2 MET 11 -5.077 -10.760 1.209
66 HG2 MET 11 HG3 MET 11 -6.282 -10.397 3.383
67 HG3 MET 11 HG2 MET 11 -6.505 -8.705 2.930
68 HE1 MET 11 HE1 MET 11 -10.057 -10.169 2.456
69 HE2 MET 11 HE2 MET 11 -9.051 -8.939 3.222
70 HE3 MET 11 HE3 MET 11 -8.862 -10.632 3.677
71 H TRP 12 H TRP 12 -2.658 -7.781 1.154
72 HA TRP 12 HA TRP 12 -0.943 -9.687 -0.303
73 HB2 TRP 12 HB3 TRP 12 -1.064 -6.663 -0.430
74 HB3 TRP 12 HB2 TRP 12 -0.207 -7.708 -1.548
75 HD1 TRP 12 HD1 TRP 12 -2.766 -9.885 -1.404
76 HE1 TRP 12 HE1 TRP 12 -4.756 -9.363 -2.954
77 HE3 TRP 12 HE3 TRP 12 -1.915 -4.942 -2.281
78 HZ2 TRP 12 HZ2 TRP 12 -5.831 -7.140 -4.399
79 HZ3 TRP 12 HZ3 TRP 12 -3.430 -3.642 -3.748
80 HH2 TRP 12 HH2 TRP 12 -5.386 -4.728 -4.806
81 H GLN 13 H GLN 13 -0.491 -6.985 2.000
82 HA GLN 13 HA GLN 13 2.372 -7.145 2.045
83 HB2 GLN 13 HB3 GLN 13 2.265 -5.606 3.793
84 HB3 GLN 13 HB2 GLN 13 0.739 -5.307 2.960
85 HG2 GLN 13 HG3 GLN 13 0.039 -5.497 5.177
86 HG3 GLN 13 HG2 GLN 13 -0.190 -7.142 4.591
87 HE21 GLN 13 HE21 GLN 13 0.250 -8.259 6.557
88 HE22 GLN 13 HE22 GLN 13 1.755 -8.200 7.340
89 H GLN 14 H GLN 14 -0.173 -8.800 3.837
90 HA GLN 14 HA GLN 14 1.520 -9.985 5.805
91 HB2 GLN 14 HB3 GLN 14 -0.316 -11.335 6.373
92 HB3 GLN 14 HB2 GLN 14 -1.081 -9.903 5.683
93 HG2 GLN 14 HG3 GLN 14 -1.096 -11.130 3.460
94 HG3 GLN 14 HG2 GLN 14 -0.613 -12.575 4.348
95 HE21 GLN 14 HE21 GLN 14 -2.806 -10.107 5.664
96 HE22 GLN 14 HE22 GLN 14 -4.179 -11.103 5.699
97 H LEU 15 H LEU 15 0.783 -10.826 2.467
98 HA LEU 15 HA LEU 15 2.177 -13.407 2.650
99 HB2 LEU 15 HB3 LEU 15 1.139 -11.846 0.269
100 HB3 LEU 15 HB2 LEU 15 1.754 -13.497 0.212
101 HG LEU 15 HG LEU 15 -0.634 -12.553 1.825
102 HD11 LEU 15 HD11 LEU 15 -1.142 -14.618 -0.133
103 HD12 LEU 15 HD12 LEU 15 -0.407 -13.214 -0.911
104 HD13 LEU 15 HD13 LEU 15 -1.890 -13.031 0.023
105 HD21 LEU 15 HD21 LEU 15 -0.847 -15.210 1.870
106 HD22 LEU 15 HD22 LEU 15 0.147 -14.363 3.058
107 HD23 LEU 15 HD23 LEU 15 0.902 -15.121 1.656
108 H GLY 16 H GLY 16 3.085 -10.183 2.430
109 HA2 GLY 16 HA3 GLY 16 5.392 -9.490 2.432
110 HA3 GLY 16 HA2 GLY 16 5.812 -10.969 1.571
111 H HIS 17 H HIS 17 3.065 -9.352 0.262
112 HA HIS 17 HA HIS 17 4.181 -9.000 -2.288
113 HB2 HIS 17 HB3 HIS 17 1.929 -7.552 -0.887
114 HB3 HIS 17 HB2 HIS 17 2.370 -7.187 -2.557
115 HD2 HIS 17 HD2 HIS 17 2.400 -10.884 -1.211
116 HE1 HIS 17 HE1 HIS 17 -0.709 -10.566 -4.050
117 HE2 HIS 17 HE2 HIS 17 0.591 -12.169 -2.574
118 H CYS 18 H CYS 18 4.413 -6.893 0.522
119 HA CYS 18 HA CYS 18 5.503 -4.648 -0.977
120 HB2 CYS 18 HB3 CYS 18 5.200 -5.354 1.929
121 HB3 CYS 18 HB2 CYS 18 6.348 -4.096 1.478
122 H GLN 19 H GLN 19 6.759 -7.326 0.942
123 HA GLN 19 HA GLN 19 9.522 -6.560 0.632
124 HB2 GLN 19 HB3 GLN 19 8.578 -8.081 2.425
125 HB3 GLN 19 HB2 GLN 19 8.431 -9.330 1.191
126 HG2 GLN 19 HG3 GLN 19 10.873 -9.110 0.726
127 HG3 GLN 19 HG2 GLN 19 10.990 -7.943 2.045
128 HE21 GLN 19 HE21 GLN 19 8.667 -9.895 3.202
129 HE22 GLN 19 HE22 GLN 19 9.593 -11.079 3.989
130 H TYR 20 H TYR 20 7.233 -8.459 -1.219
131 HA TYR 20 HA TYR 20 9.411 -9.292 -3.047
132 HB2 TYR 20 HB3 TYR 20 6.496 -10.108 -2.894
133 HB3 TYR 20 HB2 TYR 20 7.649 -10.733 -4.074
134 HD1 TYR 20 HD2 TYR 20 9.908 -11.687 -3.055
135 HD2 TYR 20 HD1 TYR 20 6.243 -11.242 -0.869
136 HE1 TYR 20 HE2 TYR 20 10.695 -13.354 -1.402
137 HE2 TYR 20 HE1 TYR 20 7.021 -12.926 0.781
138 HH TYR 20 HH TYR 20 9.329 -13.795 1.580
139 H SER 21 H SER 21 6.215 -7.654 -3.199
140 HA SER 21 HA SER 21 7.217 -6.342 -5.701
141 HB2 SER 21 HB3 SER 21 5.303 -8.220 -5.766
142 HB3 SER 21 HB2 SER 21 4.291 -6.819 -5.425
143 HG SER 21 HG SER 21 5.636 -5.840 -7.222
144 HA PRO 22 HA PRO 22 5.690 -3.175 -2.637
145 HB2 PRO 22 HB3 PRO 22 7.929 -1.605 -2.693
146 HB3 PRO 22 HB2 PRO 22 7.707 -2.952 -1.562
147 HG2 PRO 22 HG3 PRO 22 9.298 -2.823 -4.065
148 HG3 PRO 22 HG2 PRO 22 9.645 -3.675 -2.553
149 HD2 PRO 22 HD3 PRO 22 8.678 -4.908 -4.819
150 HD3 PRO 22 HD2 PRO 22 8.435 -5.536 -3.174
151 H LYS 23 H LYS 23 6.907 -3.212 -5.828
152 HA LYS 23 HA LYS 23 6.693 -0.492 -6.599
153 HB2 LYS 23 HB3 LYS 23 7.672 -2.311 -8.004
154 HB3 LYS 23 HB2 LYS 23 6.044 -2.921 -8.289
155 HG2 LYS 23 HG3 LYS 23 5.406 -0.755 -9.279
156 HG3 LYS 23 HG2 LYS 23 7.047 -0.161 -9.032
157 HD2 LYS 23 HD3 LYS 23 7.883 -2.067 -10.444
158 HD3 LYS 23 HD2 LYS 23 6.205 -2.489 -10.781
159 HE2 LYS 23 HE3 LYS 23 7.567 0.137 -11.462
160 HE3 LYS 23 HE2 LYS 23 7.040 -1.095 -12.610
161 HZ1 LYS 23 HZ1 LYS 23 5.116 0.007 -12.671
162 HZ2 LYS 23 HZ2 LYS 23 5.531 0.966 -11.330
163 HZ3 LYS 23 HZ3 LYS 23 4.829 -0.562 -11.099
164 H TYR 24 H TYR 24 4.177 -2.970 -6.190
165 HA TYR 24 HA TYR 24 2.168 -0.977 -7.154
166 HB2 TYR 24 HB3 TYR 24 1.701 -3.885 -6.477
167 HB3 TYR 24 HB2 TYR 24 0.656 -2.813 -7.412
168 HD1 TYR 24 HD1 TYR 24 1.341 -2.052 -9.675
169 HD2 TYR 24 HD2 TYR 24 3.625 -4.948 -7.477
170 HE1 TYR 24 HE1 TYR 24 2.528 -2.709 -11.761
171 HE2 TYR 24 HE2 TYR 24 4.803 -5.603 -9.562
172 HH TYR 24 HH TYR 24 5.008 -5.271 -11.744
173 H MET 25 H MET 25 3.358 -2.515 -4.273
174 HA MET 25 HA MET 25 0.927 -2.120 -2.702
175 HB2 MET 25 HB3 MET 25 3.802 -2.530 -1.840
176 HB3 MET 25 HB2 MET 25 2.400 -2.612 -0.781
177 HG2 MET 25 HG3 MET 25 2.752 -4.372 -3.216
178 HG3 MET 25 HG2 MET 25 3.226 -4.855 -1.590
179 HE1 MET 25 HE1 MET 25 0.333 -3.771 0.323
180 HE2 MET 25 HE2 MET 25 1.939 -4.495 0.299
181 HE3 MET 25 HE3 MET 25 0.522 -5.525 0.429
182 H GLY 26 H GLY 26 4.009 -0.405 -3.138
183 HA2 GLY 26 HA3 GLY 26 3.493 1.665 -1.246
184 HA3 GLY 26 HA2 GLY 26 4.611 1.796 -2.605
185 H HIS 27 H HIS 27 2.308 1.074 -4.455
186 HA HIS 27 HA HIS 27 1.335 3.841 -4.760
187 HB2 HIS 27 HB3 HIS 27 2.230 2.575 -6.724
188 HB3 HIS 27 HB2 HIS 27 0.881 1.450 -6.568
189 HD2 HIS 27 HD2 HIS 27 -1.706 2.632 -7.123
190 HE1 HIS 27 HE1 HIS 27 -0.136 6.116 -8.923
191 HE2 HIS 27 HE2 HIS 27 -2.233 4.743 -8.573
192 H TYR 28 H TYR 28 0.293 0.964 -3.324
193 HA TYR 28 HA TYR 28 -2.517 1.968 -3.383
194 HB2 TYR 28 HB3 TYR 28 -1.473 -0.818 -3.768
195 HB3 TYR 28 HB2 TYR 28 -3.051 -0.577 -3.016
196 HD1 TYR 28 HD2 TYR 28 -1.052 -0.062 -6.084
197 HD2 TYR 28 HD1 TYR 28 -4.929 0.306 -4.253
198 HE1 TYR 28 HE2 TYR 28 -2.077 0.307 -8.309
199 HE2 TYR 28 HE1 TYR 28 -5.941 0.676 -6.485
200 HH TYR 28 HH TYR 28 -4.323 0.003 -9.344
201 H CYS 29 H CYS 29 -0.210 -0.103 -1.596
202 HA CYS 29 HA CYS 29 -1.691 0.637 0.886
203 HB2 CYS 29 HB3 CYS 29 0.394 -1.527 0.662
204 HB3 CYS 29 HB2 CYS 29 -0.880 -1.345 1.865
205 H LYS 30 H LYS 30 -0.747 2.367 1.891
206 HA LYS 30 HA LYS 30 2.147 2.843 1.577
207 HB2 LYS 30 HB3 LYS 30 0.433 4.490 3.384
208 HB3 LYS 30 HB2 LYS 30 1.737 5.006 2.319
209 HG2 LYS 30 HG3 LYS 30 -1.047 4.148 1.493
210 HG3 LYS 30 HG2 LYS 30 -0.372 5.773 1.404
211 HD2 LYS 30 HD3 LYS 30 1.008 3.521 -0.052
212 HD3 LYS 30 HD2 LYS 30 -0.415 4.276 -0.759
213 HE2 LYS 30 HE3 LYS 30 1.977 5.845 0.211
214 HE3 LYS 30 HE2 LYS 30 1.783 5.298 -1.456
215 HZ1 LYS 30 HZ1 LYS 30 0.318 6.913 -1.860
216 HZ2 LYS 30 HZ2 LYS 30 0.764 7.593 -0.366
217 HZ3 LYS 30 HZ3 LYS 30 -0.575 6.553 -0.462
218 H LYS 31 H LYS 31 -0.142 2.497 4.308
219 HA LYS 31 HA LYS 31 1.832 2.283 6.356
220 HB2 LYS 31 HB3 LYS 31 -0.982 1.227 6.100
221 HB3 LYS 31 HB2 LYS 31 -0.044 1.116 7.589
222 HG2 LYS 31 HG3 LYS 31 -0.049 3.424 7.924
223 HG3 LYS 31 HG2 LYS 31 -0.298 3.768 6.213
224 HD2 LYS 31 HD3 LYS 31 -2.412 4.202 7.000
225 HD3 LYS 31 HD2 LYS 31 -2.596 2.490 6.646
226 HE2 LYS 31 HE3 LYS 31 -1.596 2.374 9.182
227 HE3 LYS 31 HE2 LYS 31 -2.515 3.877 9.261
228 HZ1 LYS 31 HZ1 LYS 31 -4.444 2.785 9.127
229 HZ2 LYS 31 HZ2 LYS 31 -3.554 1.398 9.540
230 HZ3 LYS 31 HZ3 LYS 31 -3.890 1.741 7.911
231 H ALA 32 H ALA 32 0.023 -0.177 4.553
232 HA ALA 32 HA ALA 32 1.177 -2.470 5.728
233 HB1 ALA 32 HB1 ALA 32 0.655 -2.620 2.819
234 HB2 ALA 32 HB2 ALA 32 -0.693 -2.043 3.805
235 HB3 ALA 32 HB3 ALA 32 0.025 -3.615 4.130
236 H CYS 33 H CYS 33 2.504 -0.184 3.447
237 HA CYS 33 HA CYS 33 4.827 -1.995 3.001
238 HB2 CYS 33 HB3 CYS 33 3.392 -0.220 1.286
239 HB3 CYS 33 HB2 CYS 33 5.020 0.411 1.481
240 H GLY 34 H GLY 34 6.880 -0.291 2.598
241 HA2 GLY 34 HA3 GLY 34 7.316 0.810 5.265
242 HA3 GLY 34 HA2 GLY 34 8.494 0.800 3.951
243 H LEU 35 H LEU 35 5.219 2.128 3.553
244 HA LEU 35 HA LEU 35 6.510 4.775 3.068
245 HB2 LEU 35 HB3 LEU 35 3.646 3.970 2.534
246 HB3 LEU 35 HB2 LEU 35 4.482 5.391 1.915
247 HG LEU 35 HG LEU 35 4.926 2.500 1.184
248 HD11 LEU 35 HD11 LEU 35 4.705 3.569 -1.134
249 HD12 LEU 35 HD12 LEU 35 4.179 5.027 -0.295
250 HD13 LEU 35 HD13 LEU 35 3.246 3.545 -0.145
251 HD21 LEU 35 HD21 LEU 35 6.802 3.519 -0.272
252 HD22 LEU 35 HD22 LEU 35 7.141 3.281 1.442
253 HD23 LEU 35 HD23 LEU 35 6.735 4.888 0.839
254 H CYS 36 H CYS 36 4.363 3.096 5.223
255 HA CYS 36 HA CYS 36 4.375 5.385 7.055
256 HB2 CYS 36 HB3 CYS 36 2.149 4.895 5.285
257 HB3 CYS 36 HB2 CYS 36 1.645 4.663 6.958
Start of MODEL 30
1 HA VAL 1 HA VAL 1 -0.567 11.588 3.833
2 HB VAL 1 HB VAL 1 -1.308 10.546 5.921
3 HG11 VAL 1 HG11 VAL 1 -1.498 12.922 5.940
4 HG12 VAL 1 HG12 VAL 1 -3.016 12.321 6.607
5 HG13 VAL 1 HG13 VAL 1 -2.949 12.886 4.940
6 HG21 VAL 1 HG21 VAL 1 -3.037 9.084 5.545
7 HG22 VAL 1 HG22 VAL 1 -3.754 10.092 4.290
8 HG23 VAL 1 HG23 VAL 1 -4.008 10.486 5.989
9 H CYS 2 H CYS 2 -0.831 8.960 5.192
10 HA CYS 2 HA CYS 2 -0.529 7.253 2.761
11 HB2 CYS 2 HB3 CYS 2 0.446 5.928 5.070
12 HB3 CYS 2 HB2 CYS 2 1.388 6.570 3.728
13 H GLU 3 H GLU 3 -2.056 5.683 2.472
14 HA GLU 3 HA GLU 3 -3.228 4.315 4.762
15 HB2 GLU 3 HB3 GLU 3 -5.474 5.002 4.555
16 HB3 GLU 3 HB2 GLU 3 -4.563 6.509 4.455
17 HG2 GLU 3 HG3 GLU 3 -4.625 6.302 1.951
18 HG3 GLU 3 HG2 GLU 3 -5.690 4.910 2.136
19 H ASP 4 H ASP 4 -4.361 2.430 4.142
20 HA ASP 4 HA ASP 4 -3.424 1.192 1.759
21 HB2 ASP 4 HB3 ASP 4 -5.012 -0.607 2.321
22 HB3 ASP 4 HB2 ASP 4 -4.124 -0.077 3.748
23 H LEU 5 H LEU 5 -4.450 0.777 -0.209
24 HA LEU 5 HA LEU 5 -6.795 2.535 -0.802
25 HB2 LEU 5 HB3 LEU 5 -4.669 1.324 -2.593
26 HB3 LEU 5 HB2 LEU 5 -6.065 2.206 -3.199
27 HG LEU 5 HG LEU 5 -3.948 3.304 -1.322
28 HD11 LEU 5 HD11 LEU 5 -2.831 3.875 -3.194
29 HD12 LEU 5 HD12 LEU 5 -4.243 4.767 -3.760
30 HD13 LEU 5 HD13 LEU 5 -4.055 3.062 -4.171
31 HD21 LEU 5 HD21 LEU 5 -6.607 4.286 -2.261
32 HD22 LEU 5 HD22 LEU 5 -5.298 5.465 -2.160
33 HD23 LEU 5 HD23 LEU 5 -5.787 4.564 -0.724
34 H ASN 6 H ASN 6 -5.525 -0.738 -1.075
35 HA ASN 6 HA ASN 6 -8.152 -1.646 -2.146
36 HB2 ASN 6 HB3 ASN 6 -5.356 -2.675 -2.263
37 HB3 ASN 6 HB2 ASN 6 -6.660 -3.865 -2.259
38 HD21 ASN 6 HD21 ASN 6 -4.754 -2.258 -4.385
39 HD22 ASN 6 HD22 ASN 6 -5.824 -2.092 -5.691
40 H ALA 7 H ALA 7 -9.391 -3.136 -0.972
41 HA ALA 7 HA ALA 7 -9.102 -3.152 1.875
42 HB1 ALA 7 HB1 ALA 7 -11.120 -4.210 1.862
43 HB2 ALA 7 HB2 ALA 7 -10.594 -5.409 0.681
44 HB3 ALA 7 HB3 ALA 7 -11.113 -3.813 0.144
45 H HIS 8 H HIS 8 -7.753 -5.161 -0.618
46 HA HIS 8 HA HIS 8 -7.003 -7.291 1.289
47 HB2 HIS 8 HB3 HIS 8 -6.503 -6.909 -1.673
48 HB3 HIS 8 HB2 HIS 8 -5.909 -8.294 -0.755
49 HD2 HIS 8 HD2 HIS 8 -9.174 -7.834 0.843
50 HE1 HIS 8 HE1 HIS 8 -10.154 -9.977 -2.663
51 HE2 HIS 8 HE2 HIS 8 -11.001 -9.228 -0.392
52 H CYS 9 H CYS 9 -5.911 -4.329 0.986
53 HA CYS 9 HA CYS 9 -3.188 -4.364 0.315
54 HB2 CYS 9 HB3 CYS 9 -4.956 -2.742 2.009
55 HB3 CYS 9 HB2 CYS 9 -3.267 -2.714 2.521
56 H GLU 10 H GLU 10 -4.582 -4.868 3.570
57 HA GLU 10 HA GLU 10 -2.135 -5.603 4.817
58 HB2 GLU 10 HB3 GLU 10 -5.023 -6.249 5.429
59 HB3 GLU 10 HB2 GLU 10 -3.700 -6.784 6.470
60 HG2 GLU 10 HG3 GLU 10 -2.951 -4.413 6.663
61 HG3 GLU 10 HG2 GLU 10 -4.353 -3.920 5.717
62 H MET 11 H MET 11 -4.562 -7.541 3.104
63 HA MET 11 HA MET 11 -3.436 -10.092 3.722
64 HB2 MET 11 HB3 MET 11 -5.003 -9.180 1.293
65 HB3 MET 11 HB2 MET 11 -4.652 -10.864 1.684
66 HG2 MET 11 HG3 MET 11 -5.791 -10.536 3.890
67 HG3 MET 11 HG2 MET 11 -6.247 -8.912 3.372
68 HE1 MET 11 HE1 MET 11 -9.556 -10.888 3.281
69 HE2 MET 11 HE2 MET 11 -8.929 -9.255 3.497
70 HE3 MET 11 HE3 MET 11 -8.244 -10.584 4.429
71 H TRP 12 H TRP 12 -2.790 -7.786 1.097
72 HA TRP 12 HA TRP 12 -0.936 -9.511 -0.290
73 HB2 TRP 12 HB3 TRP 12 -1.148 -6.490 -0.327
74 HB3 TRP 12 HB2 TRP 12 -0.290 -7.472 -1.505
75 HD1 TRP 12 HD1 TRP 12 -2.836 -9.717 -1.223
76 HE1 TRP 12 HE1 TRP 12 -4.878 -9.242 -2.713
77 HE3 TRP 12 HE3 TRP 12 -2.037 -4.780 -2.274
78 HZ2 TRP 12 HZ2 TRP 12 -6.026 -7.066 -4.162
79 HZ3 TRP 12 HZ3 TRP 12 -3.625 -3.535 -3.712
80 HH2 TRP 12 HH2 TRP 12 -5.615 -4.673 -4.658
81 H GLN 13 H GLN 13 -0.504 -6.924 2.111
82 HA GLN 13 HA GLN 13 2.368 -7.030 2.048
83 HB2 GLN 13 HB3 GLN 13 2.285 -5.450 3.728
84 HB3 GLN 13 HB2 GLN 13 0.657 -5.272 3.077
85 HG2 GLN 13 HG3 GLN 13 0.206 -5.490 5.349
86 HG3 GLN 13 HG2 GLN 13 0.070 -7.159 4.819
87 HE21 GLN 13 HE21 GLN 13 0.832 -8.189 6.745
88 HE22 GLN 13 HE22 GLN 13 2.401 -7.968 7.350
89 H GLN 14 H GLN 14 -0.097 -8.750 3.908
90 HA GLN 14 HA GLN 14 1.764 -9.980 5.728
91 HB2 GLN 14 HB3 GLN 14 -0.060 -11.056 6.595
92 HB3 GLN 14 HB2 GLN 14 -0.920 -9.825 5.675
93 HG2 GLN 14 HG3 GLN 14 -0.831 -11.536 3.726
94 HG3 GLN 14 HG2 GLN 14 -0.464 -12.718 4.977
95 HE21 GLN 14 HE21 GLN 14 -2.435 -10.075 6.043
96 HE22 GLN 14 HE22 GLN 14 -3.921 -10.891 6.025
97 H LEU 15 H LEU 15 0.665 -10.696 2.476
98 HA LEU 15 HA LEU 15 1.922 -13.347 2.443
99 HB2 LEU 15 HB3 LEU 15 0.801 -11.581 0.247
100 HB3 LEU 15 HB2 LEU 15 1.444 -13.200 -0.031
101 HG LEU 15 HG LEU 15 -0.883 -12.499 1.780
102 HD11 LEU 15 HD11 LEU 15 -0.842 -14.103 -0.785
103 HD12 LEU 15 HD12 LEU 15 -1.268 -12.391 -0.716
104 HD13 LEU 15 HD13 LEU 15 -2.260 -13.582 0.129
105 HD21 LEU 15 HD21 LEU 15 -1.010 -15.162 1.520
106 HD22 LEU 15 HD22 LEU 15 -0.074 -14.399 2.806
107 HD23 LEU 15 HD23 LEU 15 0.734 -14.967 1.344
108 H GLY 16 H GLY 16 3.035 -10.179 2.345
109 HA2 GLY 16 HA3 GLY 16 5.370 -9.623 2.242
110 HA3 GLY 16 HA2 GLY 16 5.659 -11.103 1.329
111 H HIS 17 H HIS 17 2.972 -9.195 0.260
112 HA HIS 17 HA HIS 17 4.028 -8.857 -2.355
113 HB2 HIS 17 HB3 HIS 17 1.835 -7.423 -0.859
114 HB3 HIS 17 HB2 HIS 17 2.241 -7.020 -2.526
115 HD2 HIS 17 HD2 HIS 17 2.189 -10.759 -1.248
116 HE1 HIS 17 HE1 HIS 17 -0.897 -10.263 -4.092
117 HE2 HIS 17 HE2 HIS 17 0.335 -11.950 -2.650
118 H CYS 18 H CYS 18 4.352 -6.877 0.537
119 HA CYS 18 HA CYS 18 5.441 -4.587 -0.898
120 HB2 CYS 18 HB3 CYS 18 5.128 -5.395 1.967
121 HB3 CYS 18 HB2 CYS 18 6.345 -4.174 1.587
122 H GLN 19 H GLN 19 6.695 -7.372 0.864
123 HA GLN 19 HA GLN 19 9.486 -6.688 0.558
124 HB2 GLN 19 HB3 GLN 19 8.536 -8.332 2.238
125 HB3 GLN 19 HB2 GLN 19 8.272 -9.446 0.896
126 HG2 GLN 19 HG3 GLN 19 10.683 -9.361 0.356
127 HG3 GLN 19 HG2 GLN 19 10.943 -8.272 1.722
128 HE21 GLN 19 HE21 GLN 19 12.375 -10.574 1.917
129 HE22 GLN 19 HE22 GLN 19 11.673 -11.659 3.018
130 H TYR 20 H TYR 20 7.112 -8.467 -1.317
131 HA TYR 20 HA TYR 20 9.165 -9.219 -3.315
132 HB2 TYR 20 HB3 TYR 20 6.232 -9.953 -3.122
133 HB3 TYR 20 HB2 TYR 20 7.393 -10.634 -4.266
134 HD1 TYR 20 HD2 TYR 20 9.739 -11.306 -2.930
135 HD2 TYR 20 HD1 TYR 20 5.751 -11.356 -1.334
136 HE1 TYR 20 HE2 TYR 20 10.444 -12.956 -1.222
137 HE2 TYR 20 HE1 TYR 20 6.459 -13.007 0.374
138 HH TYR 20 HH TYR 20 8.182 -14.088 1.280
139 H SER 21 H SER 21 5.987 -7.552 -3.240
140 HA SER 21 HA SER 21 6.818 -6.225 -5.791
141 HB2 SER 21 HB3 SER 21 4.750 -7.944 -5.582
142 HB3 SER 21 HB2 SER 21 3.926 -6.448 -5.157
143 HG SER 21 HG SER 21 5.616 -6.140 -7.265
144 HA PRO 22 HA PRO 22 5.956 -2.989 -2.543
145 HB2 PRO 22 HB3 PRO 22 8.330 -1.656 -2.838
146 HB3 PRO 22 HB2 PRO 22 8.092 -2.982 -1.685
147 HG2 PRO 22 HG3 PRO 22 9.429 -2.995 -4.334
148 HG3 PRO 22 HG2 PRO 22 9.820 -3.900 -2.861
149 HD2 PRO 22 HD3 PRO 22 8.503 -4.987 -5.034
150 HD3 PRO 22 HD2 PRO 22 8.375 -5.616 -3.378
151 H LYS 23 H LYS 23 7.040 -3.073 -5.826
152 HA LYS 23 HA LYS 23 6.869 -0.335 -6.551
153 HB2 LYS 23 HB3 LYS 23 7.785 -2.166 -7.994
154 HB3 LYS 23 HB2 LYS 23 6.131 -2.720 -8.266
155 HG2 LYS 23 HG3 LYS 23 5.552 -0.477 -9.168
156 HG3 LYS 23 HG2 LYS 23 7.234 0.013 -8.969
157 HD2 LYS 23 HD3 LYS 23 7.918 -1.867 -10.462
158 HD3 LYS 23 HD2 LYS 23 6.215 -2.237 -10.727
159 HE2 LYS 23 HE3 LYS 23 7.821 0.093 -11.695
160 HE3 LYS 23 HE2 LYS 23 6.594 -0.849 -12.537
161 HZ1 LYS 23 HZ1 LYS 23 6.198 1.257 -10.501
162 HZ2 LYS 23 HZ2 LYS 23 4.970 0.156 -10.908
163 HZ3 LYS 23 HZ3 LYS 23 5.602 1.201 -12.088
164 H TYR 24 H TYR 24 4.344 -2.814 -6.230
165 HA TYR 24 HA TYR 24 2.355 -0.760 -7.082
166 HB2 TYR 24 HB3 TYR 24 1.880 -3.714 -6.613
167 HB3 TYR 24 HB2 TYR 24 0.834 -2.582 -7.466
168 HD1 TYR 24 HD1 TYR 24 4.044 -4.423 -7.606
169 HD2 TYR 24 HD2 TYR 24 1.280 -1.931 -9.752
170 HE1 TYR 24 HE1 TYR 24 5.222 -4.944 -9.724
171 HE2 TYR 24 HE2 TYR 24 2.458 -2.452 -11.873
172 HH TYR 24 HH TYR 24 5.032 -3.233 -12.403
173 H MET 25 H MET 25 3.491 -2.540 -4.290
174 HA MET 25 HA MET 25 1.050 -2.138 -2.750
175 HB2 MET 25 HB3 MET 25 3.899 -2.739 -1.915
176 HB3 MET 25 HB2 MET 25 2.567 -2.580 -0.773
177 HG2 MET 25 HG3 MET 25 2.625 -4.533 -3.094
178 HG3 MET 25 HG2 MET 25 2.975 -4.954 -1.417
179 HE1 MET 25 HE1 MET 25 1.272 -3.700 0.438
180 HE2 MET 25 HE2 MET 25 1.242 -5.456 0.370
181 HE3 MET 25 HE3 MET 25 -0.271 -4.561 0.473
182 H GLY 26 H GLY 26 4.152 -0.421 -3.031
183 HA2 GLY 26 HA3 GLY 26 3.596 1.606 -1.115
184 HA3 GLY 26 HA2 GLY 26 4.706 1.788 -2.473
185 H HIS 27 H HIS 27 2.487 1.094 -4.372
186 HA HIS 27 HA HIS 27 1.414 3.827 -4.607
187 HB2 HIS 27 HB3 HIS 27 2.376 2.613 -6.582
188 HB3 HIS 27 HB2 HIS 27 1.038 1.467 -6.469
189 HD2 HIS 27 HD2 HIS 27 -1.455 2.459 -7.373
190 HE1 HIS 27 HE1 HIS 27 -0.073 6.295 -8.471
191 HE2 HIS 27 HE2 HIS 27 -2.050 4.707 -8.551
192 H TYR 28 H TYR 28 0.396 0.751 -3.463
193 HA TYR 28 HA TYR 28 -2.439 1.700 -3.525
194 HB2 TYR 28 HB3 TYR 28 -1.220 -1.010 -3.847
195 HB3 TYR 28 HB2 TYR 28 -2.822 -0.879 -3.116
196 HD1 TYR 28 HD2 TYR 28 -0.813 -0.102 -6.136
197 HD2 TYR 28 HD1 TYR 28 -4.737 -0.226 -4.396
198 HE1 TYR 28 HE2 TYR 28 -1.818 0.252 -8.374
199 HE2 TYR 28 HE1 TYR 28 -5.741 0.125 -6.632
200 HH TYR 28 HH TYR 28 -4.861 -0.398 -9.142
201 H CYS 29 H CYS 29 -0.099 -0.183 -1.600
202 HA CYS 29 HA CYS 29 -1.701 0.559 0.802
203 HB2 CYS 29 HB3 CYS 29 0.421 -1.576 0.694
204 HB3 CYS 29 HB2 CYS 29 -0.889 -1.389 1.855
205 H LYS 30 H LYS 30 -0.838 2.337 1.749
206 HA LYS 30 HA LYS 30 2.050 2.875 1.524
207 HB2 LYS 30 HB3 LYS 30 0.233 4.563 3.196
208 HB3 LYS 30 HB2 LYS 30 1.561 5.048 2.141
209 HG2 LYS 30 HG3 LYS 30 -1.146 4.029 1.220
210 HG3 LYS 30 HG2 LYS 30 -0.605 5.703 1.166
211 HD2 LYS 30 HD3 LYS 30 0.980 3.535 -0.212
212 HD3 LYS 30 HD2 LYS 30 -0.397 4.292 -1.003
213 HE2 LYS 30 HE3 LYS 30 2.068 5.701 0.053
214 HE3 LYS 30 HE2 LYS 30 1.619 5.497 -1.639
215 HZ1 LYS 30 HZ1 LYS 30 0.585 7.340 0.347
216 HZ2 LYS 30 HZ2 LYS 30 -0.584 6.627 -0.661
217 HZ3 LYS 30 HZ3 LYS 30 0.699 7.510 -1.337
218 H LYS 31 H LYS 31 -0.316 2.515 4.176
219 HA LYS 31 HA LYS 31 1.632 2.403 6.277
220 HB2 LYS 31 HB3 LYS 31 -1.201 1.412 6.002
221 HB3 LYS 31 HB2 LYS 31 -0.289 1.220 7.497
222 HG2 LYS 31 HG3 LYS 31 -0.254 3.486 7.934
223 HG3 LYS 31 HG2 LYS 31 -0.314 3.921 6.227
224 HD2 LYS 31 HD3 LYS 31 -2.473 4.463 6.785
225 HD3 LYS 31 HD2 LYS 31 -2.732 2.756 6.442
226 HE2 LYS 31 HE3 LYS 31 -2.020 2.525 9.006
227 HE3 LYS 31 HE2 LYS 31 -2.643 4.173 9.065
228 HZ1 LYS 31 HZ1 LYS 31 -4.119 1.870 9.148
229 HZ2 LYS 31 HZ2 LYS 31 -4.347 2.451 7.566
230 HZ3 LYS 31 HZ3 LYS 31 -4.715 3.439 8.899
231 H ALA 32 H ALA 32 -0.072 -0.138 4.484
232 HA ALA 32 HA ALA 32 1.059 -2.365 5.822
233 HB1 ALA 32 HB1 ALA 32 0.595 -2.709 2.926
234 HB2 ALA 32 HB2 ALA 32 -0.767 -2.023 3.816
235 HB3 ALA 32 HB3 ALA 32 -0.102 -3.581 4.290
236 H CYS 33 H CYS 33 2.486 -0.133 3.612
237 HA CYS 33 HA CYS 33 4.779 -1.998 3.190
238 HB2 CYS 33 HB3 CYS 33 3.435 -0.207 1.436
239 HB3 CYS 33 HB2 CYS 33 5.049 0.438 1.710
240 H GLY 34 H GLY 34 6.869 -0.353 2.861
241 HA2 GLY 34 HA3 GLY 34 7.281 0.671 5.565
242 HA3 GLY 34 HA2 GLY 34 8.482 0.645 4.276
243 H LEU 35 H LEU 35 5.540 2.013 3.258
244 HA LEU 35 HA LEU 35 6.777 4.622 2.952
245 HB2 LEU 35 HB3 LEU 35 3.852 3.880 2.646
246 HB3 LEU 35 HB2 LEU 35 4.650 5.301 1.978
247 HG LEU 35 HG LEU 35 4.993 2.413 1.188
248 HD11 LEU 35 HD11 LEU 35 4.174 4.973 -0.164
249 HD12 LEU 35 HD12 LEU 35 3.312 3.441 -0.097
250 HD13 LEU 35 HD13 LEU 35 4.749 3.599 -1.104
251 HD21 LEU 35 HD21 LEU 35 7.255 3.127 1.326
252 HD22 LEU 35 HD22 LEU 35 6.862 4.742 0.733
253 HD23 LEU 35 HD23 LEU 35 6.815 3.365 -0.365
254 H CYS 36 H CYS 36 4.267 3.284 5.099
255 HA CYS 36 HA CYS 36 4.813 5.504 6.984
256 HB2 CYS 36 HB3 CYS 36 2.364 5.186 5.394
257 HB3 CYS 36 HB2 CYS 36 2.063 5.330 7.125
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