Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
487231 | 2kp0 RC | 16540 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 1HT ALA 1 16.883 -4.367 -0.270
2 H2 ALA 1 2HT ALA 1 15.987 -3.152 -1.050
3 H3 ALA 1 3HT ALA 1 15.280 -4.666 -0.741
4 HA ALA 1 HA ALA 1 15.353 -4.269 1.637
5 HB1 ALA 1 2HB ALA 1 17.470 -3.041 1.569
6 HB2 ALA 1 3HB ALA 1 16.246 -2.045 2.359
7 HB3 ALA 1 1HB ALA 1 16.701 -1.722 0.686
8 H CYS 2 H CYS 2 13.096 -4.406 0.761
9 HA CYS 2 HA CYS 2 11.782 -1.962 -0.166
10 HB2 CYS 2 2HB CYS 2 11.031 -4.085 -0.993
11 HB3 CYS 2 1HB CYS 2 10.893 -4.743 0.638
12 H ASN 3 H ASN 3 12.417 -3.465 2.908
13 HA ASN 3 HA ASN 3 11.696 -2.920 5.099
14 HB2 ASN 3 2HB ASN 3 11.370 -0.194 3.814
15 HB3 ASN 3 1HB ASN 3 11.822 -0.546 5.483
16 HD21 ASN 3 1HD2 ASN 3 13.887 -2.184 5.495
17 HD22 ASN 3 2HD2 ASN 3 15.158 -1.688 4.485
18 H ASP 4 H ASP 4 9.659 -4.146 4.855
19 HA ASP 4 HA ASP 4 7.231 -3.246 3.783
20 HB2 ASP 4 2HB ASP 4 8.209 -5.170 5.752
21 HB3 ASP 4 1HB ASP 4 6.583 -4.602 6.134
22 H ARG 5 H ARG 5 8.849 -2.190 6.716
23 HA ARG 5 HA ARG 5 6.491 -0.901 7.868
24 HB2 ARG 5 2HB ARG 5 8.982 -1.753 8.717
25 HB3 ARG 5 1HB ARG 5 9.157 0.002 8.711
26 HG2 ARG 5 2HG ARG 5 8.147 -0.073 10.739
27 HG3 ARG 5 1HG ARG 5 6.658 -0.330 9.829
28 HD2 ARG 5 2HD ARG 5 6.458 -2.379 10.770
29 HD3 ARG 5 1HD ARG 5 8.008 -2.852 10.047
30 HE ARG 5 HE ARG 5 8.351 -1.139 12.375
31 HH11 ARG 5 1HH2 ARG 5 7.804 -4.355 11.237
32 HH12 ARG 5 2HH2 ARG 5 8.500 -5.105 12.633
33 HH21 ARG 5 1HH1 ARG 5 9.261 -2.107 14.199
34 HH22 ARG 5 2HH1 ARG 5 9.325 -3.835 14.308
35 H ASP 6 H ASP 6 9.431 0.236 6.170
36 HA ASP 6 HA ASP 6 8.539 3.022 6.179
37 HB2 ASP 6 2HB ASP 6 10.922 1.735 6.014
38 HB3 ASP 6 1HB ASP 6 10.631 2.053 4.303
39 H CYS 7 H CYS 7 8.037 0.256 4.155
40 HA CYS 7 HA CYS 7 7.432 1.788 1.718
41 HB2 CYS 7 2HB CYS 7 7.813 -0.965 2.593
42 HB3 CYS 7 1HB CYS 7 6.421 -0.814 1.522
43 H SER 8 H SER 8 5.595 -0.005 4.204
44 HA SER 8 HA SER 8 2.999 0.531 3.041
45 HB2 SER 8 2HB SER 8 2.242 -0.376 5.218
46 HB3 SER 8 1HB SER 8 3.540 -1.357 4.540
47 HG SER 8 HG SER 8 4.086 -0.967 6.640
48 H LEU 9 H LEU 9 4.933 2.069 5.613
49 HA LEU 9 HA LEU 9 2.953 3.923 6.516
50 HB2 LEU 9 2HB LEU 9 5.771 3.335 6.823
51 HB3 LEU 9 1HB LEU 9 5.522 5.080 6.739
52 HG LEU 9 HG LEU 9 3.590 3.590 8.424
53 HD11 LEU 9 1HD1 LEU 9 5.223 3.532 10.323
54 HD12 LEU 9 2HD1 LEU 9 6.509 3.925 9.181
55 HD13 LEU 9 3HD1 LEU 9 5.628 2.403 9.029
56 HD21 LEU 9 3HD2 LEU 9 3.261 5.731 9.048
57 HD22 LEU 9 1HD2 LEU 9 4.638 6.251 8.076
58 HD23 LEU 9 2HD2 LEU 9 4.879 5.748 9.749
59 H ASP 10 H ASP 10 5.629 4.386 4.170
60 HA ASP 10 HA ASP 10 4.945 7.059 3.432
61 HB2 ASP 10 2HB ASP 10 6.517 4.771 2.298
62 HB3 ASP 10 1HB ASP 10 6.231 6.182 1.278
63 H CYS 11 H CYS 11 3.863 3.912 2.175
64 HA CYS 11 HA CYS 11 2.426 5.016 -0.093
65 HB2 CYS 11 2HB CYS 11 3.011 2.459 1.165
66 HB3 CYS 11 1HB CYS 11 1.337 2.529 0.615
67 H ILE 12 H ILE 12 1.444 3.911 3.167
68 HA ILE 12 HA ILE 12 -1.364 4.359 2.837
69 HB ILE 12 HB ILE 12 0.523 4.332 5.206
70 HG12 ILE 12 2HG1 ILE 12 -1.518 2.343 4.157
71 HG13 ILE 12 1HG1 ILE 12 0.230 2.215 3.956
72 HG21 ILE 12 1HG2 ILE 12 -1.373 4.308 6.672
73 HG22 ILE 12 2HG2 ILE 12 -2.499 4.194 5.319
74 HG23 ILE 12 3HG2 ILE 12 -1.598 5.687 5.596
75 HD11 ILE 12 3HD1 ILE 12 0.297 1.127 5.927
76 HD12 ILE 12 1HD1 ILE 12 -1.403 1.484 6.240
77 HD13 ILE 12 2HD1 ILE 12 -0.158 2.644 6.703
78 H MET 13 H MET 13 1.309 6.533 3.393
79 HA MET 13 HA MET 13 -0.332 8.749 4.385
80 HB2 MET 13 2HB MET 13 2.182 8.181 4.760
81 HB3 MET 13 1HB MET 13 2.430 8.917 3.176
82 HG2 MET 13 2HG MET 13 0.881 10.818 4.290
83 HG3 MET 13 1HG MET 13 1.643 10.184 5.750
84 HE1 MET 13 3HE MET 13 3.048 13.131 5.667
85 HE2 MET 13 1HE MET 13 1.562 12.822 4.757
86 HE3 MET 13 2HE MET 13 2.955 13.544 3.956
87 H LYS 14 H LYS 14 1.153 7.797 1.287
88 HA LYS 14 HA LYS 14 0.634 10.099 -0.251
89 HB2 LYS 14 2HB LYS 14 0.784 7.138 -0.750
90 HB3 LYS 14 1HB LYS 14 0.348 8.212 -2.079
91 HG2 LYS 14 2HG LYS 14 2.419 9.586 -1.449
92 HG3 LYS 14 1HG LYS 14 2.893 8.212 -0.450
93 HD2 LYS 14 2HD LYS 14 2.138 7.822 -3.342
94 HD3 LYS 14 1HD LYS 14 3.774 8.307 -2.892
95 HE2 LYS 14 2HE LYS 14 3.784 6.312 -1.284
96 HE3 LYS 14 1HE LYS 14 2.314 5.768 -2.114
97 HZ1 LYS 14 3HZ LYS 14 4.768 5.211 -2.993
98 HZ2 LYS 14 1HZ LYS 14 4.486 6.664 -3.824
99 HZ3 LYS 14 2HZ LYS 14 3.421 5.354 -4.018
100 H GLY 15 H GLY 15 -1.577 7.581 0.851
101 HA2 GLY 15 2HA GLY 15 -3.958 8.515 1.073
102 HA3 GLY 15 1HA GLY 15 -3.789 8.942 -0.630
103 H TYR 16 H TYR 16 -2.149 6.069 -0.068
104 HA TYR 16 HA TYR 16 -4.169 4.524 -1.519
105 HB2 TYR 16 2HB TYR 16 -1.430 3.991 -0.345
106 HB3 TYR 16 1HB TYR 16 -2.364 2.734 -1.155
107 HD1 TYR 16 2HD TYR 16 -1.227 6.271 -1.679
108 HD2 TYR 16 1HD TYR 16 -2.142 2.473 -3.463
109 HE1 TYR 16 2HE TYR 16 -0.475 7.125 -3.882
110 HE2 TYR 16 1HE TYR 16 -1.389 3.327 -5.666
111 HH TYR 16 HH TYR 16 -1.236 6.073 -6.617
112 H ASN 17 H ASN 17 -4.374 2.108 -0.524
113 HA ASN 17 HA ASN 17 -5.441 2.483 2.249
114 HB2 ASN 17 2HB ASN 17 -6.795 1.784 0.096
115 HB3 ASN 17 1HB ASN 17 -6.095 0.196 0.411
116 HD21 ASN 17 1HD2 ASN 17 -7.249 2.716 2.716
117 HD22 ASN 17 2HD2 ASN 17 -8.368 1.702 3.493
118 H PHE 18 H PHE 18 -3.844 0.004 0.200
119 HA PHE 18 HA PHE 18 -2.175 -0.794 2.519
120 HB2 PHE 18 2HB PHE 18 -2.941 -3.217 2.020
121 HB3 PHE 18 1HB PHE 18 -4.074 -2.177 2.881
122 HD1 PHE 18 1HD PHE 18 -3.165 -3.405 -0.527
123 HD2 PHE 18 2HD PHE 18 -6.207 -1.701 1.981
124 HE1 PHE 18 1HE PHE 18 -4.833 -3.726 -2.333
125 HE2 PHE 18 2HE PHE 18 -7.876 -2.022 0.175
126 HZ PHE 18 HZ PHE 18 -7.188 -3.035 -1.982
127 H GLY 19 H GLY 19 -0.394 -2.217 1.843
128 HA2 GLY 19 2HA GLY 19 -0.022 -2.674 -1.042
129 HA3 GLY 19 1HA GLY 19 1.110 -1.540 -0.305
130 H LYS 20 H LYS 20 2.757 -3.198 -0.915
131 HA LYS 20 HA LYS 20 3.596 -4.760 1.321
132 HB2 LYS 20 2HB LYS 20 3.083 -7.028 0.228
133 HB3 LYS 20 1HB LYS 20 1.703 -6.160 0.901
134 HG2 LYS 20 2HG LYS 20 1.071 -5.340 -1.289
135 HG3 LYS 20 1HG LYS 20 2.539 -6.005 -2.008
136 HD2 LYS 20 2HD LYS 20 1.674 -8.098 -2.125
137 HD3 LYS 20 1HD LYS 20 0.949 -7.983 -0.520
138 HE2 LYS 20 2HE LYS 20 -0.746 -6.347 -1.673
139 HE3 LYS 20 1HE LYS 20 -0.198 -7.125 -3.171
140 HZ1 LYS 20 3HZ LYS 20 -0.734 -8.868 -0.897
141 HZ2 LYS 20 1HZ LYS 20 -1.011 -9.130 -2.550
142 HZ3 LYS 20 2HZ LYS 20 -2.090 -8.174 -1.651
143 H CYS 21 H CYS 21 5.542 -6.057 0.786
144 HA CYS 21 HA CYS 21 7.059 -4.871 -1.431
145 HB2 CYS 21 2HB CYS 21 7.683 -6.963 0.678
146 HB3 CYS 21 1HB CYS 21 8.877 -6.254 -0.407
147 H VAL 22 H VAL 22 7.565 -5.906 -3.356
148 HA VAL 22 HA VAL 22 6.743 -8.776 -3.649
149 HB VAL 22 HB VAL 22 6.182 -6.360 -5.384
150 HG11 VAL 22 1HG1 VAL 22 6.288 -9.278 -6.078
151 HG12 VAL 22 2HG1 VAL 22 6.763 -7.882 -7.046
152 HG13 VAL 22 3HG1 VAL 22 5.055 -8.264 -6.830
153 HG21 VAL 22 3HG2 VAL 22 3.862 -7.670 -5.214
154 HG22 VAL 22 1HG2 VAL 22 4.382 -6.565 -3.941
155 HG23 VAL 22 2HG2 VAL 22 4.603 -8.304 -3.746
156 H ARG 23 H ARG 23 8.355 -10.011 -4.547
157 HA ARG 23 HA ARG 23 10.526 -10.503 -5.375
158 HB2 ARG 23 2HB ARG 23 8.948 -8.840 -7.240
159 HB3 ARG 23 1HB ARG 23 10.674 -8.903 -7.599
160 HG2 ARG 23 2HG ARG 23 10.630 -11.330 -7.647
161 HG3 ARG 23 1HG ARG 23 8.948 -11.348 -7.117
162 HD2 ARG 23 2HD ARG 23 8.727 -9.751 -9.308
163 HD3 ARG 23 1HD ARG 23 10.061 -10.806 -9.812
164 HE ARG 23 HE ARG 23 8.556 -12.630 -9.812
165 HH11 ARG 23 1HH2 ARG 23 7.311 -9.919 -8.070
166 HH12 ARG 23 2HH2 ARG 23 5.748 -10.626 -7.833
167 HH21 ARG 23 1HH1 ARG 23 6.521 -13.562 -9.506
168 HH22 ARG 23 2HH1 ARG 23 5.301 -12.684 -8.643
169 H GLY 24 H GLY 24 10.598 -8.515 -3.295
170 HA2 GLY 24 2HA GLY 24 12.232 -7.086 -2.383
171 HA3 GLY 24 1HA GLY 24 13.182 -7.325 -3.851
172 H SER 25 H SER 25 9.869 -6.221 -4.034
173 HA SER 25 HA SER 25 10.884 -3.505 -4.812
174 HB2 SER 25 2HB SER 25 8.461 -4.994 -5.864
175 HB3 SER 25 1HB SER 25 9.167 -3.520 -6.520
176 HG SER 25 HG SER 25 9.821 -5.406 -7.662
177 H CYS 26 H CYS 26 8.635 -2.057 -4.906
178 HA CYS 26 HA CYS 26 7.185 -2.516 -2.324
179 HB2 CYS 26 2HB CYS 26 9.143 -0.885 -2.221
180 HB3 CYS 26 1HB CYS 26 8.233 0.148 -3.321
181 H GLN 27 H GLN 27 5.183 -3.009 -3.269
182 HA GLN 27 HA GLN 27 4.047 -0.960 -5.147
183 HB2 GLN 27 2HB GLN 27 3.718 -3.957 -4.879
184 HB3 GLN 27 1HB GLN 27 2.607 -2.975 -5.836
185 HG2 GLN 27 2HG GLN 27 5.597 -3.260 -6.240
186 HG3 GLN 27 1HG GLN 27 4.321 -3.822 -7.321
187 HE21 GLN 27 1HE2 GLN 27 3.185 -2.214 -8.613
188 HE22 GLN 27 2HE2 GLN 27 3.762 -0.625 -8.766
189 H CYS 28 H CYS 28 1.788 -0.431 -4.812
190 HA CYS 28 HA CYS 28 0.598 -1.352 -2.228
191 HB2 CYS 28 2HB CYS 28 0.882 1.513 -3.192
192 HB3 CYS 28 1HB CYS 28 0.118 1.004 -1.685
193 H ARG 29 H ARG 29 -1.780 -0.670 -2.133
194 HA ARG 29 HA ARG 29 -2.961 -0.524 -4.890
195 HB2 ARG 29 2HB ARG 29 -3.188 -2.496 -2.723
196 HB3 ARG 29 1HB ARG 29 -4.749 -1.956 -3.338
197 HG2 ARG 29 2HG ARG 29 -4.484 -3.146 -5.230
198 HG3 ARG 29 1HG ARG 29 -2.910 -2.406 -5.526
199 HD2 ARG 29 2HD ARG 29 -1.751 -4.102 -4.408
200 HD3 ARG 29 1HD ARG 29 -3.162 -4.558 -3.432
201 HE ARG 29 HE ARG 29 -3.662 -4.904 -6.269
202 HH11 ARG 29 1HH2 ARG 29 -2.191 -6.260 -3.454
203 HH12 ARG 29 2HH2 ARG 29 -2.317 -7.892 -4.019
204 HH21 ARG 29 1HH1 ARG 29 -3.830 -7.027 -7.014
205 HH22 ARG 29 2HH1 ARG 29 -3.242 -8.327 -6.031
206 H ARG 30 H ARG 30 -5.046 0.539 -4.980
207 HA ARG 30 HA ARG 30 -5.637 2.253 -2.587
208 HB2 ARG 30 2HB ARG 30 -4.651 3.176 -4.843
209 HB3 ARG 30 1HB ARG 30 -6.302 2.973 -5.433
210 HG2 ARG 30 2HG ARG 30 -6.548 4.201 -2.909
211 HG3 ARG 30 1HG ARG 30 -5.228 5.045 -3.720
212 HD2 ARG 30 2HD ARG 30 -6.970 4.909 -5.782
213 HD3 ARG 30 1HD ARG 30 -8.118 4.947 -4.429
214 HE ARG 30 HE ARG 30 -6.330 7.123 -5.206
215 HH11 ARG 30 1HH2 ARG 30 -8.056 5.566 -2.650
216 HH12 ARG 30 2HH2 ARG 30 -8.151 6.992 -1.675
217 HH21 ARG 30 1HH1 ARG 30 -6.452 8.989 -3.940
218 HH22 ARG 30 2HH1 ARG 30 -7.245 8.927 -2.403
219 H THR 31 H THR 31 -7.750 2.198 -1.858
220 HA THR 31 HA THR 31 -9.695 0.554 -3.440
221 HB THR 31 HB THR 31 -10.653 0.788 -0.858
222 HG1 THR 31 1HG THR 31 -8.857 1.767 -0.062
223 HG21 THR 31 3HG2 THR 31 -10.594 -1.317 -1.958
224 HG22 THR 31 1HG2 THR 31 -9.522 -1.496 -0.568
225 HG23 THR 31 2HG2 THR 31 -8.845 -1.240 -2.176
226 H SER 32 H SER 32 -12.013 1.277 -3.173
227 HA SER 32 HA SER 32 -12.376 4.148 -2.505
228 HB2 SER 32 2HB SER 32 -12.158 2.975 -5.178
229 HB3 SER 32 1HB SER 32 -13.658 3.869 -4.961
230 HG SER 32 HG SER 32 -10.993 4.740 -4.818
231 H GLY 33 H GLY 33 -14.916 4.539 -3.379
232 HA2 GLY 33 2HA GLY 33 -16.837 2.546 -3.337
233 HA3 GLY 33 1HA GLY 33 -16.475 2.813 -1.631
Start of MODEL 2
1 H1 ALA 1 1HT ALA 1 14.897 -5.951 -0.524
2 H2 ALA 1 2HT ALA 1 14.497 -6.692 0.951
3 H3 ALA 1 3HT ALA 1 16.049 -6.891 0.291
4 HA ALA 1 HA ALA 1 16.224 -5.301 2.058
5 HB1 ALA 1 2HB ALA 1 16.422 -4.529 -0.824
6 HB2 ALA 1 3HB ALA 1 17.704 -4.731 0.370
7 HB3 ALA 1 1HB ALA 1 16.710 -3.273 0.381
8 H CYS 2 H CYS 2 13.295 -5.223 0.393
9 HA CYS 2 HA CYS 2 12.488 -2.523 1.291
10 HB2 CYS 2 2HB CYS 2 10.515 -2.997 -0.021
11 HB3 CYS 2 1HB CYS 2 11.897 -3.612 -0.928
12 H ASN 3 H ASN 3 11.158 -2.159 3.071
13 HA ASN 3 HA ASN 3 10.379 -4.571 4.676
14 HB2 ASN 3 2HB ASN 3 11.121 -1.726 5.421
15 HB3 ASN 3 1HB ASN 3 10.535 -2.918 6.583
16 HD21 ASN 3 1HD2 ASN 3 13.314 -1.585 6.117
17 HD22 ASN 3 2HD2 ASN 3 14.382 -2.905 6.106
18 H ASP 4 H ASP 4 8.255 -4.642 5.511
19 HA ASP 4 HA ASP 4 6.176 -3.318 4.044
20 HB2 ASP 4 2HB ASP 4 6.115 -4.650 6.772
21 HB3 ASP 4 1HB ASP 4 4.741 -4.431 5.687
22 H ARG 5 H ARG 5 7.973 -2.451 6.924
23 HA ARG 5 HA ARG 5 6.092 -0.533 8.003
24 HB2 ARG 5 2HB ARG 5 8.804 -1.534 8.448
25 HB3 ARG 5 1HB ARG 5 8.671 0.194 8.777
26 HG2 ARG 5 2HG ARG 5 8.159 -1.196 10.784
27 HG3 ARG 5 1HG ARG 5 6.790 -0.201 10.285
28 HD2 ARG 5 2HD ARG 5 6.232 -2.394 8.830
29 HD3 ARG 5 1HD ARG 5 7.111 -3.164 10.167
30 HE ARG 5 HE ARG 5 5.269 -1.204 11.191
31 HH11 ARG 5 1HH2 ARG 5 5.483 -4.350 9.782
32 HH12 ARG 5 2HH2 ARG 5 4.048 -4.934 10.556
33 HH21 ARG 5 1HH1 ARG 5 3.397 -1.956 12.205
34 HH22 ARG 5 2HH1 ARG 5 2.869 -3.582 11.926
35 H ASP 6 H ASP 6 9.138 -0.093 6.154
36 HA ASP 6 HA ASP 6 8.599 2.745 5.708
37 HB2 ASP 6 2HB ASP 6 10.869 1.986 5.923
38 HB3 ASP 6 1HB ASP 6 10.629 0.730 4.707
39 H CYS 7 H CYS 7 7.387 -0.076 4.348
40 HA CYS 7 HA CYS 7 7.130 1.015 1.596
41 HB2 CYS 7 2HB CYS 7 7.721 -1.292 1.726
42 HB3 CYS 7 1HB CYS 7 6.539 -1.603 2.996
43 H SER 8 H SER 8 5.013 -0.226 4.215
44 HA SER 8 HA SER 8 2.544 0.600 3.003
45 HB2 SER 8 2HB SER 8 3.181 0.300 5.949
46 HB3 SER 8 1HB SER 8 1.633 0.024 5.154
47 HG SER 8 HG SER 8 2.334 -1.959 5.046
48 H LEU 9 H LEU 9 4.745 2.180 5.327
49 HA LEU 9 HA LEU 9 3.189 4.428 6.025
50 HB2 LEU 9 2HB LEU 9 6.039 3.654 5.865
51 HB3 LEU 9 1HB LEU 9 5.751 5.393 5.854
52 HG LEU 9 HG LEU 9 4.600 3.471 7.897
53 HD11 LEU 9 1HD1 LEU 9 6.417 5.437 8.955
54 HD12 LEU 9 2HD1 LEU 9 7.221 4.532 7.673
55 HD13 LEU 9 3HD1 LEU 9 6.523 3.679 9.048
56 HD21 LEU 9 3HD2 LEU 9 4.343 5.837 9.052
57 HD22 LEU 9 1HD2 LEU 9 3.140 5.287 7.885
58 HD23 LEU 9 2HD2 LEU 9 4.394 6.423 7.389
59 H ASP 10 H ASP 10 5.211 3.884 3.141
60 HA ASP 10 HA ASP 10 4.854 6.547 2.054
61 HB2 ASP 10 2HB ASP 10 6.373 4.244 1.576
62 HB3 ASP 10 1HB ASP 10 5.371 4.415 0.134
63 H CYS 11 H CYS 11 3.156 3.452 1.681
64 HA CYS 11 HA CYS 11 1.481 4.222 -0.528
65 HB2 CYS 11 2HB CYS 11 1.248 2.204 1.722
66 HB3 CYS 11 1HB CYS 11 0.106 2.280 0.382
67 H ILE 12 H ILE 12 1.026 4.362 3.009
68 HA ILE 12 HA ILE 12 -1.675 5.359 2.937
69 HB ILE 12 HB ILE 12 0.557 5.577 4.985
70 HG12 ILE 12 2HG1 ILE 12 -1.766 3.695 5.176
71 HG13 ILE 12 1HG1 ILE 12 -0.452 3.288 4.072
72 HG21 ILE 12 1HG2 ILE 12 -0.904 6.540 6.433
73 HG22 ILE 12 2HG2 ILE 12 -2.249 5.542 5.882
74 HG23 ILE 12 3HG2 ILE 12 -1.802 6.992 4.983
75 HD11 ILE 12 3HD1 ILE 12 0.902 2.703 5.776
76 HD12 ILE 12 1HD1 ILE 12 -0.499 2.842 6.838
77 HD13 ILE 12 2HD1 ILE 12 0.581 4.217 6.622
78 H MET 13 H MET 13 1.506 6.940 2.934
79 HA MET 13 HA MET 13 0.615 9.622 3.387
80 HB2 MET 13 2HB MET 13 2.974 8.467 3.333
81 HB3 MET 13 1HB MET 13 2.937 8.880 1.618
82 HG2 MET 13 2HG MET 13 3.156 11.117 2.015
83 HG3 MET 13 1HG MET 13 2.147 11.058 3.461
84 HE1 MET 13 3HE MET 13 5.396 12.715 4.432
85 HE2 MET 13 1HE MET 13 3.972 12.402 5.435
86 HE3 MET 13 2HE MET 13 3.780 12.861 3.745
87 H LYS 14 H LYS 14 1.212 7.827 0.347
88 HA LYS 14 HA LYS 14 0.587 9.919 -1.470
89 HB2 LYS 14 2HB LYS 14 0.510 6.911 -1.489
90 HB3 LYS 14 1HB LYS 14 -0.056 7.809 -2.898
91 HG2 LYS 14 2HG LYS 14 2.255 9.116 -2.478
92 HG3 LYS 14 1HG LYS 14 2.699 7.550 -1.799
93 HD2 LYS 14 2HD LYS 14 2.814 6.595 -3.840
94 HD3 LYS 14 1HD LYS 14 1.257 7.272 -4.318
95 HE2 LYS 14 2HE LYS 14 3.476 9.235 -4.140
96 HE3 LYS 14 1HE LYS 14 3.606 8.046 -5.451
97 HZ1 LYS 14 3HZ LYS 14 1.442 8.574 -6.209
98 HZ2 LYS 14 1HZ LYS 14 2.234 10.058 -5.990
99 HZ3 LYS 14 2HZ LYS 14 1.106 9.522 -4.839
100 H GLY 15 H GLY 15 -1.478 7.996 0.569
101 HA2 GLY 15 2HA GLY 15 -3.753 8.957 0.970
102 HA3 GLY 15 1HA GLY 15 -3.857 9.219 -0.771
103 H TYR 16 H TYR 16 -2.280 6.315 -0.143
104 HA TYR 16 HA TYR 16 -4.665 4.783 -0.986
105 HB2 TYR 16 2HB TYR 16 -1.718 4.167 -0.617
106 HB3 TYR 16 1HB TYR 16 -2.894 2.987 -1.194
107 HD1 TYR 16 1HD TYR 16 -4.648 4.531 -2.924
108 HD2 TYR 16 2HD TYR 16 -0.386 4.779 -2.449
109 HE1 TYR 16 1HE TYR 16 -4.446 5.452 -5.219
110 HE2 TYR 16 2HE TYR 16 -0.184 5.699 -4.744
111 HH TYR 16 HH TYR 16 -2.848 6.838 -6.505
112 H ASN 17 H ASN 17 -3.952 2.301 0.204
113 HA ASN 17 HA ASN 17 -4.532 2.866 3.093
114 HB2 ASN 17 2HB ASN 17 -5.689 1.124 1.015
115 HB3 ASN 17 1HB ASN 17 -5.418 0.313 2.557
116 HD21 ASN 17 1HD2 ASN 17 -7.614 2.293 0.883
117 HD22 ASN 17 2HD2 ASN 17 -8.512 2.844 2.214
118 H PHE 18 H PHE 18 -3.511 -0.038 1.271
119 HA PHE 18 HA PHE 18 -1.142 -0.239 3.103
120 HB2 PHE 18 2HB PHE 18 -1.635 -2.763 2.882
121 HB3 PHE 18 1HB PHE 18 -2.752 -1.818 3.869
122 HD1 PHE 18 2HD PHE 18 -2.252 -3.347 0.518
123 HD2 PHE 18 1HD PHE 18 -5.039 -1.526 3.232
124 HE1 PHE 18 2HE PHE 18 -4.127 -4.020 -0.957
125 HE2 PHE 18 1HE PHE 18 -6.915 -2.201 1.756
126 HZ PHE 18 HZ PHE 18 -6.459 -3.448 -0.338
127 H GLY 19 H GLY 19 0.303 -2.169 2.080
128 HA2 GLY 19 2HA GLY 19 0.334 -2.074 -0.869
129 HA3 GLY 19 1HA GLY 19 1.733 -1.363 -0.060
130 H LYS 20 H LYS 20 2.885 -3.166 -1.240
131 HA LYS 20 HA LYS 20 3.270 -5.428 0.592
132 HB2 LYS 20 2HB LYS 20 2.548 -7.124 -0.983
133 HB3 LYS 20 1HB LYS 20 1.237 -5.956 -0.816
134 HG2 LYS 20 2HG LYS 20 2.691 -4.839 -2.848
135 HG3 LYS 20 1HG LYS 20 2.930 -6.560 -3.156
136 HD2 LYS 20 2HD LYS 20 0.195 -6.230 -2.486
137 HD3 LYS 20 1HD LYS 20 0.587 -4.960 -3.646
138 HE2 LYS 20 2HE LYS 20 1.572 -6.671 -5.165
139 HE3 LYS 20 1HE LYS 20 1.093 -7.936 -4.015
140 HZ1 LYS 20 3HZ LYS 20 -0.891 -5.944 -4.873
141 HZ2 LYS 20 1HZ LYS 20 -1.129 -7.543 -4.356
142 HZ3 LYS 20 2HZ LYS 20 -0.526 -7.236 -5.915
143 H CYS 21 H CYS 21 5.280 -6.455 0.203
144 HA CYS 21 HA CYS 21 7.165 -4.970 -1.484
145 HB2 CYS 21 2HB CYS 21 7.149 -6.928 0.706
146 HB3 CYS 21 1HB CYS 21 8.440 -7.207 -0.463
147 H VAL 22 H VAL 22 8.016 -5.682 -3.441
148 HA VAL 22 HA VAL 22 7.529 -8.472 -4.330
149 HB VAL 22 HB VAL 22 6.588 -6.060 -5.911
150 HG11 VAL 22 1HG1 VAL 22 5.201 -8.402 -6.613
151 HG12 VAL 22 2HG1 VAL 22 6.886 -8.898 -6.446
152 HG13 VAL 22 3HG1 VAL 22 6.456 -7.596 -7.556
153 HG21 VAL 22 3HG2 VAL 22 5.071 -7.926 -4.062
154 HG22 VAL 22 1HG2 VAL 22 4.286 -6.875 -5.243
155 HG23 VAL 22 2HG2 VAL 22 5.221 -6.174 -3.921
156 H ARG 23 H ARG 23 9.604 -9.013 -4.925
157 HA ARG 23 HA ARG 23 11.665 -8.925 -6.079
158 HB2 ARG 23 2HB ARG 23 10.287 -6.722 -7.641
159 HB3 ARG 23 1HB ARG 23 11.564 -7.798 -8.209
160 HG2 ARG 23 2HG ARG 23 10.048 -9.733 -7.957
161 HG3 ARG 23 1HG ARG 23 8.768 -8.653 -7.405
162 HD2 ARG 23 2HD ARG 23 9.030 -7.398 -9.613
163 HD3 ARG 23 1HD ARG 23 10.044 -8.751 -10.152
164 HE ARG 23 HE ARG 23 7.636 -9.780 -8.990
165 HH11 ARG 23 1HH2 ARG 23 8.852 -8.096 -11.750
166 HH12 ARG 23 2HH2 ARG 23 7.624 -8.693 -12.815
167 HH21 ARG 23 1HH1 ARG 23 6.031 -10.565 -10.370
168 HH22 ARG 23 2HH1 ARG 23 6.030 -10.088 -12.035
169 H GLY 24 H GLY 24 12.351 -7.879 -3.910
170 HA2 GLY 24 2HA GLY 24 13.370 -6.125 -2.698
171 HA3 GLY 24 1HA GLY 24 14.213 -5.866 -4.226
172 H SER 25 H SER 25 10.743 -5.490 -3.986
173 HA SER 25 HA SER 25 11.038 -2.516 -3.914
174 HB2 SER 25 2HB SER 25 10.303 -4.264 -6.151
175 HB3 SER 25 1HB SER 25 9.102 -3.013 -5.844
176 HG SER 25 HG SER 25 10.615 -2.110 -7.167
177 H CYS 26 H CYS 26 8.361 -1.904 -4.402
178 HA CYS 26 HA CYS 26 6.566 -3.570 -2.815
179 HB2 CYS 26 2HB CYS 26 8.341 -2.036 -1.398
180 HB3 CYS 26 1HB CYS 26 6.966 -0.937 -1.529
181 H GLN 27 H GLN 27 4.419 -2.937 -3.184
182 HA GLN 27 HA GLN 27 4.038 -0.442 -4.807
183 HB2 GLN 27 2HB GLN 27 2.476 -3.043 -4.860
184 HB3 GLN 27 1HB GLN 27 2.313 -1.695 -5.988
185 HG2 GLN 27 2HG GLN 27 5.073 -2.639 -5.754
186 HG3 GLN 27 1HG GLN 27 3.972 -3.890 -6.333
187 HE21 GLN 27 1HE2 GLN 27 4.391 -3.875 -8.580
188 HE22 GLN 27 2HE2 GLN 27 4.241 -2.498 -9.561
189 H CYS 28 H CYS 28 1.574 0.196 -4.693
190 HA CYS 28 HA CYS 28 0.682 0.006 -1.831
191 HB2 CYS 28 2HB CYS 28 0.521 2.260 -3.860
192 HB3 CYS 28 1HB CYS 28 -0.204 2.319 -2.253
193 H ARG 29 H ARG 29 -1.431 -0.666 -1.535
194 HA ARG 29 HA ARG 29 -3.140 -0.940 -3.989
195 HB2 ARG 29 2HB ARG 29 -2.641 -2.686 -1.580
196 HB3 ARG 29 1HB ARG 29 -4.097 -2.887 -2.555
197 HG2 ARG 29 2HG ARG 29 -1.749 -2.665 -4.244
198 HG3 ARG 29 1HG ARG 29 -1.565 -3.978 -3.084
199 HD2 ARG 29 2HD ARG 29 -2.832 -5.210 -4.522
200 HD3 ARG 29 1HD ARG 29 -4.207 -4.240 -3.954
201 HE ARG 29 HE ARG 29 -2.999 -2.615 -5.842
202 HH11 ARG 29 1HH2 ARG 29 -4.175 -5.861 -5.755
203 HH12 ARG 29 2HH2 ARG 29 -4.605 -5.886 -7.433
204 HH21 ARG 29 1HH1 ARG 29 -3.555 -2.637 -8.029
205 HH22 ARG 29 2HH1 ARG 29 -4.253 -4.064 -8.719
206 H ARG 30 H ARG 30 -5.387 -0.476 -3.716
207 HA ARG 30 HA ARG 30 -6.039 1.072 -1.230
208 HB2 ARG 30 2HB ARG 30 -6.119 1.695 -3.977
209 HB3 ARG 30 1HB ARG 30 -7.802 1.470 -3.503
210 HG2 ARG 30 2HG ARG 30 -7.512 3.051 -1.645
211 HG3 ARG 30 1HG ARG 30 -5.814 3.260 -2.076
212 HD2 ARG 30 2HD ARG 30 -6.671 3.974 -4.407
213 HD3 ARG 30 1HD ARG 30 -8.257 4.142 -3.626
214 HE ARG 30 HE ARG 30 -6.450 5.429 -1.918
215 HH11 ARG 30 1HH2 ARG 30 -7.479 5.658 -5.207
216 HH12 ARG 30 2HH2 ARG 30 -7.203 7.364 -5.307
217 HH21 ARG 30 1HH1 ARG 30 -6.087 7.652 -2.039
218 HH22 ARG 30 2HH1 ARG 30 -6.416 8.493 -3.518
219 H THR 31 H THR 31 -8.255 0.825 -0.418
220 HA THR 31 HA THR 31 -9.226 -1.939 -0.620
221 HB THR 31 HB THR 31 -10.778 0.155 0.802
222 HG1 THR 31 1HG THR 31 -8.870 -0.141 2.416
223 HG21 THR 31 3HG2 THR 31 -9.483 -2.168 2.138
224 HG22 THR 31 1HG2 THR 31 -10.704 -2.527 0.917
225 HG23 THR 31 2HG2 THR 31 -11.119 -1.536 2.315
226 H SER 32 H SER 32 -12.041 -1.119 -0.183
227 HA SER 32 HA SER 32 -12.785 -0.008 -2.856
228 HB2 SER 32 2HB SER 32 -13.015 -2.750 -1.852
229 HB3 SER 32 1HB SER 32 -14.558 -2.105 -2.402
230 HG SER 32 HG SER 32 -13.831 -2.467 -4.332
231 H GLY 33 H GLY 33 -14.168 1.659 -2.402
232 HA2 GLY 33 2HA GLY 33 -16.567 1.997 -1.563
233 HA3 GLY 33 1HA GLY 33 -15.962 1.382 -0.023
Start of MODEL 3
1 H1 ALA 1 1HT ALA 1 15.662 -3.891 -1.691
2 H2 ALA 1 2HT ALA 1 14.923 -5.396 -1.962
3 H3 ALA 1 3HT ALA 1 16.591 -5.310 -1.644
4 HA ALA 1 HA ALA 1 15.180 -6.053 0.289
5 HB1 ALA 1 2HB ALA 1 17.495 -5.184 0.398
6 HB2 ALA 1 3HB ALA 1 16.558 -4.650 1.793
7 HB3 ALA 1 1HB ALA 1 16.870 -3.536 0.463
8 H CYS 2 H CYS 2 12.881 -5.507 -0.091
9 HA CYS 2 HA CYS 2 12.069 -2.729 0.609
10 HB2 CYS 2 2HB CYS 2 11.139 -3.822 -1.392
11 HB3 CYS 2 1HB CYS 2 10.557 -5.162 -0.402
12 H ASN 3 H ASN 3 10.915 -2.280 2.502
13 HA ASN 3 HA ASN 3 10.542 -4.569 4.407
14 HB2 ASN 3 2HB ASN 3 11.217 -1.638 4.798
15 HB3 ASN 3 1HB ASN 3 10.851 -2.737 6.129
16 HD21 ASN 3 1HD2 ASN 3 13.314 -1.773 3.847
17 HD22 ASN 3 2HD2 ASN 3 14.505 -2.863 4.368
18 H ASP 4 H ASP 4 8.515 -4.766 5.383
19 HA ASP 4 HA ASP 4 6.221 -3.576 4.159
20 HB2 ASP 4 2HB ASP 4 6.422 -4.747 6.945
21 HB3 ASP 4 1HB ASP 4 5.033 -4.788 5.858
22 H ARG 5 H ARG 5 8.411 -2.332 6.484
23 HA ARG 5 HA ARG 5 6.520 -0.555 7.848
24 HB2 ARG 5 2HB ARG 5 8.983 -1.616 8.379
25 HB3 ARG 5 1HB ARG 5 9.426 0.013 7.870
26 HG2 ARG 5 2HG ARG 5 9.043 0.367 10.134
27 HG3 ARG 5 1HG ARG 5 7.443 0.710 9.478
28 HD2 ARG 5 2HD ARG 5 6.531 -1.071 10.554
29 HD3 ARG 5 1HD ARG 5 7.840 -2.146 10.027
30 HE ARG 5 HE ARG 5 8.792 -0.265 12.002
31 HH11 ARG 5 1HH2 ARG 5 6.957 -3.154 11.531
32 HH12 ARG 5 2HH2 ARG 5 7.290 -3.776 13.112
33 HH21 ARG 5 1HH1 ARG 5 9.234 -1.069 14.065
34 HH22 ARG 5 2HH1 ARG 5 8.577 -2.599 14.544
35 H ASP 6 H ASP 6 8.974 -0.243 5.277
36 HA ASP 6 HA ASP 6 8.537 2.633 4.957
37 HB2 ASP 6 2HB ASP 6 10.266 0.485 3.959
38 HB3 ASP 6 1HB ASP 6 9.830 1.644 2.702
39 H CYS 7 H CYS 7 7.307 -0.332 3.496
40 HA CYS 7 HA CYS 7 6.092 0.979 1.192
41 HB2 CYS 7 2HB CYS 7 6.602 -1.640 2.195
42 HB3 CYS 7 1HB CYS 7 4.867 -1.523 1.901
43 H SER 8 H SER 8 4.837 -0.324 4.287
44 HA SER 8 HA SER 8 2.105 0.446 3.843
45 HB2 SER 8 2HB SER 8 3.576 0.175 6.477
46 HB3 SER 8 1HB SER 8 1.870 -0.131 6.168
47 HG SER 8 HG SER 8 3.163 -2.049 6.233
48 H LEU 9 H LEU 9 4.852 2.083 5.423
49 HA LEU 9 HA LEU 9 3.300 4.380 6.295
50 HB2 LEU 9 2HB LEU 9 6.180 3.565 6.071
51 HB3 LEU 9 1HB LEU 9 5.802 5.258 6.392
52 HG LEU 9 HG LEU 9 4.362 3.209 8.010
53 HD11 LEU 9 1HD1 LEU 9 6.305 2.220 8.640
54 HD12 LEU 9 2HD1 LEU 9 6.607 3.712 9.532
55 HD13 LEU 9 3HD1 LEU 9 7.287 3.496 7.918
56 HD21 LEU 9 3HD2 LEU 9 4.505 4.942 9.697
57 HD22 LEU 9 1HD2 LEU 9 4.029 5.707 8.180
58 HD23 LEU 9 2HD2 LEU 9 5.694 5.832 8.747
59 H ASP 10 H ASP 10 5.300 3.625 3.454
60 HA ASP 10 HA ASP 10 5.161 6.317 2.342
61 HB2 ASP 10 2HB ASP 10 7.005 4.799 1.863
62 HB3 ASP 10 1HB ASP 10 5.890 3.592 1.219
63 H CYS 11 H CYS 11 3.470 3.230 1.727
64 HA CYS 11 HA CYS 11 1.864 4.185 -0.462
65 HB2 CYS 11 2HB CYS 11 1.575 1.949 1.564
66 HB3 CYS 11 1HB CYS 11 0.513 2.132 0.170
67 H ILE 12 H ILE 12 1.297 3.993 3.055
68 HA ILE 12 HA ILE 12 -1.434 4.888 3.001
69 HB ILE 12 HB ILE 12 0.802 4.858 5.037
70 HG12 ILE 12 2HG1 ILE 12 -1.801 3.308 4.823
71 HG13 ILE 12 1HG1 ILE 12 -0.232 2.706 4.287
72 HG21 ILE 12 1HG2 ILE 12 -0.955 5.386 6.733
73 HG22 ILE 12 2HG2 ILE 12 -2.081 5.722 5.418
74 HG23 ILE 12 3HG2 ILE 12 -0.649 6.728 5.631
75 HD11 ILE 12 3HD1 ILE 12 -1.109 2.122 6.706
76 HD12 ILE 12 1HD1 ILE 12 -0.512 3.736 7.090
77 HD13 ILE 12 2HD1 ILE 12 0.592 2.515 6.455
78 H MET 13 H MET 13 1.665 6.624 3.323
79 HA MET 13 HA MET 13 0.518 9.226 3.792
80 HB2 MET 13 2HB MET 13 3.012 8.015 3.772
81 HB3 MET 13 1HB MET 13 3.096 9.112 2.391
82 HG2 MET 13 2HG MET 13 2.642 11.013 3.727
83 HG3 MET 13 1HG MET 13 2.050 10.033 5.068
84 HE1 MET 13 3HE MET 13 6.416 10.119 3.619
85 HE2 MET 13 1HE MET 13 5.092 11.045 2.899
86 HE3 MET 13 2HE MET 13 5.096 9.286 2.802
87 H LYS 14 H LYS 14 1.392 7.438 0.856
88 HA LYS 14 HA LYS 14 1.161 9.599 -1.011
89 HB2 LYS 14 2HB LYS 14 1.131 6.617 -1.009
90 HB3 LYS 14 1HB LYS 14 0.512 7.414 -2.455
91 HG2 LYS 14 2HG LYS 14 2.826 8.844 -1.853
92 HG3 LYS 14 1HG LYS 14 3.266 7.168 -1.516
93 HD2 LYS 14 2HD LYS 14 3.051 6.526 -3.707
94 HD3 LYS 14 1HD LYS 14 1.733 7.656 -4.018
95 HE2 LYS 14 2HE LYS 14 3.165 9.234 -4.800
96 HE3 LYS 14 1HE LYS 14 4.246 9.036 -3.407
97 HZ1 LYS 14 3HZ LYS 14 4.086 7.299 -5.812
98 HZ2 LYS 14 1HZ LYS 14 4.968 6.899 -4.420
99 HZ3 LYS 14 2HZ LYS 14 5.400 8.266 -5.334
100 H GLY 15 H GLY 15 -1.227 7.807 0.754
101 HA2 GLY 15 2HA GLY 15 -3.502 8.773 0.867
102 HA3 GLY 15 1HA GLY 15 -3.359 9.158 -0.849
103 H TYR 16 H TYR 16 -2.064 6.112 0.053
104 HA TYR 16 HA TYR 16 -4.305 4.758 -1.356
105 HB2 TYR 16 2HB TYR 16 -1.470 4.047 -0.566
106 HB3 TYR 16 1HB TYR 16 -2.573 2.868 -1.271
107 HD1 TYR 16 2HD TYR 16 -1.244 6.322 -1.859
108 HD2 TYR 16 1HD TYR 16 -2.735 2.690 -3.600
109 HE1 TYR 16 2HE TYR 16 -0.736 7.199 -4.122
110 HE2 TYR 16 1HE TYR 16 -2.227 3.567 -5.864
111 HH TYR 16 HH TYR 16 -0.270 6.272 -6.388
112 H ASN 17 H ASN 17 -3.968 2.195 -0.217
113 HA ASN 17 HA ASN 17 -4.923 2.652 2.593
114 HB2 ASN 17 2HB ASN 17 -6.427 1.832 0.555
115 HB3 ASN 17 1HB ASN 17 -5.701 0.272 0.948
116 HD21 ASN 17 1HD2 ASN 17 -7.052 3.046 2.844
117 HD22 ASN 17 2HD2 ASN 17 -7.966 2.068 3.887
118 H PHE 18 H PHE 18 -3.799 -0.116 0.605
119 HA PHE 18 HA PHE 18 -1.699 -0.674 2.647
120 HB2 PHE 18 2HB PHE 18 -2.554 -3.132 2.452
121 HB3 PHE 18 1HB PHE 18 -3.470 -2.009 3.456
122 HD1 PHE 18 2HD PHE 18 -3.315 -3.531 0.053
123 HD2 PHE 18 1HD PHE 18 -5.723 -1.470 2.952
124 HE1 PHE 18 2HE PHE 18 -5.327 -3.917 -1.345
125 HE2 PHE 18 1HE PHE 18 -7.735 -1.856 1.555
126 HZ PHE 18 HZ PHE 18 -7.538 -3.080 -0.592
127 H GLY 19 H GLY 19 0.115 -1.743 1.764
128 HA2 GLY 19 2HA GLY 19 -0.054 -2.497 -1.121
129 HA3 GLY 19 1HA GLY 19 1.260 -1.470 -0.546
130 H LYS 20 H LYS 20 2.870 -3.031 -1.094
131 HA LYS 20 HA LYS 20 3.426 -4.986 0.985
132 HB2 LYS 20 2HB LYS 20 3.236 -6.947 -0.611
133 HB3 LYS 20 1HB LYS 20 1.692 -6.211 -0.179
134 HG2 LYS 20 2HG LYS 20 1.301 -5.527 -2.301
135 HG3 LYS 20 1HG LYS 20 2.956 -4.955 -2.510
136 HD2 LYS 20 2HD LYS 20 3.000 -6.722 -3.990
137 HD3 LYS 20 1HD LYS 20 3.456 -7.583 -2.519
138 HE2 LYS 20 2HE LYS 20 1.379 -8.605 -2.311
139 HE3 LYS 20 1HE LYS 20 0.534 -7.287 -3.147
140 HZ1 LYS 20 3HZ LYS 20 0.669 -9.027 -4.706
141 HZ2 LYS 20 1HZ LYS 20 2.286 -9.366 -4.325
142 HZ3 LYS 20 2HZ LYS 20 1.893 -7.937 -5.156
143 H CYS 21 H CYS 21 5.398 -6.373 0.248
144 HA CYS 21 HA CYS 21 7.235 -4.598 -1.306
145 HB2 CYS 21 2HB CYS 21 7.482 -6.626 0.899
146 HB3 CYS 21 1HB CYS 21 8.889 -6.268 -0.101
147 H VAL 22 H VAL 22 7.811 -5.282 -3.337
148 HA VAL 22 HA VAL 22 7.064 -7.992 -4.233
149 HB VAL 22 HB VAL 22 8.507 -5.785 -5.726
150 HG11 VAL 22 1HG1 VAL 22 6.521 -7.277 -7.195
151 HG12 VAL 22 2HG1 VAL 22 7.648 -8.391 -6.420
152 HG13 VAL 22 3HG1 VAL 22 8.252 -7.140 -7.505
153 HG21 VAL 22 3HG2 VAL 22 6.602 -4.667 -4.894
154 HG22 VAL 22 1HG2 VAL 22 5.597 -6.113 -4.999
155 HG23 VAL 22 2HG2 VAL 22 6.069 -5.258 -6.467
156 H ARG 23 H ARG 23 9.082 -8.025 -2.242
157 HA ARG 23 HA ARG 23 11.228 -8.928 -1.833
158 HB2 ARG 23 2HB ARG 23 10.384 -9.981 -4.532
159 HB3 ARG 23 1HB ARG 23 11.923 -10.461 -3.817
160 HG2 ARG 23 2HG ARG 23 10.291 -10.834 -1.687
161 HG3 ARG 23 1HG ARG 23 9.158 -11.164 -2.999
162 HD2 ARG 23 2HD ARG 23 11.738 -12.428 -3.500
163 HD3 ARG 23 1HD ARG 23 11.026 -12.972 -1.968
164 HE ARG 23 HE ARG 23 9.090 -12.825 -4.153
165 HH11 ARG 23 1HH2 ARG 23 11.485 -14.705 -2.521
166 HH12 ARG 23 2HH2 ARG 23 10.827 -16.223 -3.033
167 HH21 ARG 23 1HH1 ARG 23 8.224 -14.797 -4.823
168 HH22 ARG 23 2HH1 ARG 23 8.984 -16.275 -4.334
169 H GLY 24 H GLY 24 11.075 -6.211 -3.029
170 HA2 GLY 24 2HA GLY 24 13.697 -5.513 -3.379
171 HA3 GLY 24 1HA GLY 24 13.255 -6.088 -4.986
172 H SER 25 H SER 25 10.396 -5.061 -4.332
173 HA SER 25 HA SER 25 10.990 -2.154 -4.805
174 HB2 SER 25 2HB SER 25 9.150 -4.098 -6.201
175 HB3 SER 25 1HB SER 25 8.921 -2.357 -6.335
176 HG SER 25 HG SER 25 10.258 -3.220 -8.000
177 H CYS 26 H CYS 26 8.640 -0.997 -4.703
178 HA CYS 26 HA CYS 26 7.185 -2.012 -2.286
179 HB2 CYS 26 2HB CYS 26 8.972 0.178 -2.490
180 HB3 CYS 26 1HB CYS 26 7.355 0.874 -2.393
181 H GLN 27 H GLN 27 5.056 -2.230 -2.866
182 HA GLN 27 HA GLN 27 3.954 -0.339 -4.921
183 HB2 GLN 27 2HB GLN 27 3.587 -3.271 -4.334
184 HB3 GLN 27 1HB GLN 27 2.333 -2.381 -5.198
185 HG2 GLN 27 2HG GLN 27 4.991 -1.793 -6.242
186 HG3 GLN 27 1HG GLN 27 4.617 -3.514 -6.330
187 HE21 GLN 27 1HE2 GLN 27 3.276 -0.295 -7.203
188 HE22 GLN 27 2HE2 GLN 27 2.358 -0.864 -8.513
189 H CYS 28 H CYS 28 1.535 -0.012 -4.660
190 HA CYS 28 HA CYS 28 0.637 -0.217 -1.811
191 HB2 CYS 28 2HB CYS 28 0.310 2.220 -3.584
192 HB3 CYS 28 1HB CYS 28 0.017 2.109 -1.849
193 H ARG 29 H ARG 29 -1.688 -0.319 -1.599
194 HA ARG 29 HA ARG 29 -3.192 -0.626 -4.176
195 HB2 ARG 29 2HB ARG 29 -2.424 -2.600 -2.270
196 HB3 ARG 29 1HB ARG 29 -4.170 -2.389 -2.127
197 HG2 ARG 29 2HG ARG 29 -4.479 -3.546 -4.028
198 HG3 ARG 29 1HG ARG 29 -3.494 -2.376 -4.907
199 HD2 ARG 29 2HD ARG 29 -1.533 -3.776 -3.650
200 HD3 ARG 29 1HD ARG 29 -2.749 -5.052 -3.862
201 HE ARG 29 HE ARG 29 -2.771 -3.801 -6.306
202 HH11 ARG 29 1HH2 ARG 29 -0.288 -5.046 -4.251
203 HH12 ARG 29 2HH2 ARG 29 0.769 -5.452 -5.560
204 HH21 ARG 29 1HH1 ARG 29 -1.397 -4.328 -8.021
205 HH22 ARG 29 2HH1 ARG 29 0.144 -5.046 -7.690
206 H ARG 30 H ARG 30 -5.443 -0.084 -4.024
207 HA ARG 30 HA ARG 30 -6.122 1.617 -1.660
208 HB2 ARG 30 2HB ARG 30 -6.503 1.698 -4.564
209 HB3 ARG 30 1HB ARG 30 -7.994 2.020 -3.680
210 HG2 ARG 30 2HG ARG 30 -5.888 3.423 -2.363
211 HG3 ARG 30 1HG ARG 30 -5.770 3.773 -4.088
212 HD2 ARG 30 2HD ARG 30 -7.293 5.407 -3.231
213 HD3 ARG 30 1HD ARG 30 -8.332 4.179 -3.982
214 HE ARG 30 HE ARG 30 -9.079 3.579 -1.822
215 HH11 ARG 30 1HH2 ARG 30 -6.109 5.340 -1.710
216 HH12 ARG 30 2HH2 ARG 30 -6.079 5.430 0.019
217 HH21 ARG 30 1HH1 ARG 30 -9.050 3.692 0.432
218 HH22 ARG 30 2HH1 ARG 30 -7.742 4.500 1.231
219 H THR 31 H THR 31 -8.875 1.646 -1.885
220 HA THR 31 HA THR 31 -9.576 -1.120 -1.035
221 HB THR 31 HB THR 31 -11.475 0.017 0.023
222 HG1 THR 31 1HG THR 31 -10.493 2.461 -0.953
223 HG21 THR 31 3HG2 THR 31 -8.746 1.249 0.341
224 HG22 THR 31 1HG2 THR 31 -9.580 0.121 1.409
225 HG23 THR 31 2HG2 THR 31 -10.104 1.803 1.321
226 H SER 32 H SER 32 -12.205 -1.331 -1.543
227 HA SER 32 HA SER 32 -12.331 -1.360 -4.515
228 HB2 SER 32 2HB SER 32 -14.469 -2.545 -2.835
229 HB3 SER 32 1HB SER 32 -13.608 -3.238 -4.206
230 HG SER 32 HG SER 32 -12.041 -3.909 -2.903
231 H GLY 33 H GLY 33 -13.443 0.271 -5.508
232 HA2 GLY 33 2HA GLY 33 -15.151 2.075 -3.972
233 HA3 GLY 33 1HA GLY 33 -14.825 2.182 -5.703
Start of MODEL 4
1 H1 ALA 1 1HT ALA 1 17.050 -5.571 -0.818
2 H2 ALA 1 2HT ALA 1 16.397 -4.011 -0.661
3 H3 ALA 1 3HT ALA 1 15.667 -5.140 -1.699
4 HA ALA 1 HA ALA 1 14.801 -6.401 0.048
5 HB1 ALA 1 2HB ALA 1 15.931 -6.616 2.041
6 HB2 ALA 1 3HB ALA 1 16.313 -4.895 2.123
7 HB3 ALA 1 1HB ALA 1 17.260 -5.960 1.085
8 H CYS 2 H CYS 2 12.835 -5.321 -0.272
9 HA CYS 2 HA CYS 2 12.420 -2.530 0.416
10 HB2 CYS 2 2HB CYS 2 10.045 -3.167 -0.078
11 HB3 CYS 2 1HB CYS 2 11.166 -3.684 -1.337
12 H ASN 3 H ASN 3 11.056 -1.755 2.168
13 HA ASN 3 HA ASN 3 11.025 -3.590 4.539
14 HB2 ASN 3 2HB ASN 3 12.054 -0.984 4.057
15 HB3 ASN 3 1HB ASN 3 10.692 -0.797 5.162
16 HD21 ASN 3 1HD2 ASN 3 10.751 -2.842 6.881
17 HD22 ASN 3 2HD2 ASN 3 12.259 -3.023 7.637
18 H ASP 4 H ASP 4 8.955 -4.391 4.739
19 HA ASP 4 HA ASP 4 6.564 -3.376 3.696
20 HB2 ASP 4 2HB ASP 4 7.001 -4.805 6.338
21 HB3 ASP 4 1HB ASP 4 5.516 -4.812 5.386
22 H ARG 5 H ARG 5 8.199 -2.496 6.727
23 HA ARG 5 HA ARG 5 6.098 -0.950 7.891
24 HB2 ARG 5 2HB ARG 5 8.809 -1.638 8.358
25 HB3 ARG 5 1HB ARG 5 8.726 0.123 8.421
26 HG2 ARG 5 2HG ARG 5 8.045 -0.215 10.566
27 HG3 ARG 5 1HG ARG 5 6.480 -0.555 9.825
28 HD2 ARG 5 2HD ARG 5 6.619 -2.792 10.276
29 HD3 ARG 5 1HD ARG 5 8.350 -2.855 9.890
30 HE ARG 5 HE ARG 5 8.115 -1.303 12.231
31 HH11 ARG 5 1HH2 ARG 5 7.435 -4.509 11.140
32 HH12 ARG 5 2HH2 ARG 5 7.680 -5.227 12.696
33 HH21 ARG 5 1HH1 ARG 5 8.436 -2.231 14.263
34 HH22 ARG 5 2HH1 ARG 5 8.246 -3.940 14.460
35 H ASP 6 H ASP 6 8.852 0.073 5.834
36 HA ASP 6 HA ASP 6 7.866 2.821 5.644
37 HB2 ASP 6 2HB ASP 6 10.192 1.207 4.918
38 HB3 ASP 6 1HB ASP 6 9.764 2.357 3.650
39 H CYS 7 H CYS 7 6.982 -0.086 4.170
40 HA CYS 7 HA CYS 7 6.318 1.077 1.534
41 HB2 CYS 7 2HB CYS 7 6.015 -1.628 2.868
42 HB3 CYS 7 1HB CYS 7 5.443 -1.300 1.233
43 H SER 8 H SER 8 4.667 -0.140 4.447
44 HA SER 8 HA SER 8 1.989 0.374 3.400
45 HB2 SER 8 2HB SER 8 2.753 -1.342 5.143
46 HB3 SER 8 1HB SER 8 2.887 0.004 6.270
47 HG SER 8 HG SER 8 0.537 -0.342 4.770
48 H LEU 9 H LEU 9 4.242 2.036 5.608
49 HA LEU 9 HA LEU 9 2.397 4.160 6.314
50 HB2 LEU 9 2HB LEU 9 5.399 3.765 6.450
51 HB3 LEU 9 1HB LEU 9 4.594 5.188 7.111
52 HG LEU 9 HG LEU 9 3.546 2.490 7.870
53 HD11 LEU 9 1HD1 LEU 9 6.261 3.126 8.193
54 HD12 LEU 9 2HD1 LEU 9 5.369 1.865 9.043
55 HD13 LEU 9 3HD1 LEU 9 5.527 3.469 9.759
56 HD21 LEU 9 3HD2 LEU 9 3.414 3.891 10.089
57 HD22 LEU 9 1HD2 LEU 9 2.278 4.235 8.784
58 HD23 LEU 9 2HD2 LEU 9 3.688 5.268 9.020
59 H ASP 10 H ASP 10 4.970 3.787 3.882
60 HA ASP 10 HA ASP 10 4.890 6.513 2.929
61 HB2 ASP 10 2HB ASP 10 6.733 4.818 2.652
62 HB3 ASP 10 1HB ASP 10 5.707 3.963 1.500
63 H CYS 11 H CYS 11 3.339 3.486 1.833
64 HA CYS 11 HA CYS 11 2.023 4.618 -0.458
65 HB2 CYS 11 2HB CYS 11 1.608 2.211 1.328
66 HB3 CYS 11 1HB CYS 11 0.550 2.525 -0.047
67 H ILE 12 H ILE 12 1.029 4.173 2.937
68 HA ILE 12 HA ILE 12 -1.675 5.077 2.644
69 HB ILE 12 HB ILE 12 0.351 4.937 4.881
70 HG12 ILE 12 2HG1 ILE 12 -2.278 3.503 4.386
71 HG13 ILE 12 1HG1 ILE 12 -0.691 2.853 3.975
72 HG21 ILE 12 1HG2 ILE 12 -0.921 6.725 5.687
73 HG22 ILE 12 2HG2 ILE 12 -1.807 5.339 6.323
74 HG23 ILE 12 3HG2 ILE 12 -2.390 6.172 4.883
75 HD11 ILE 12 3HD1 ILE 12 -0.202 2.342 6.137
76 HD12 ILE 12 1HD1 ILE 12 -1.948 2.438 6.371
77 HD13 ILE 12 2HD1 ILE 12 -0.932 3.827 6.750
78 H MET 13 H MET 13 1.400 6.765 3.060
79 HA MET 13 HA MET 13 0.356 9.365 3.694
80 HB2 MET 13 2HB MET 13 2.740 8.399 3.847
81 HB3 MET 13 1HB MET 13 2.863 8.739 2.120
82 HG2 MET 13 2HG MET 13 3.500 10.824 2.713
83 HG3 MET 13 1HG MET 13 1.817 11.092 3.170
84 HE1 MET 13 3HE MET 13 3.497 12.839 4.165
85 HE2 MET 13 1HE MET 13 5.028 12.139 4.710
86 HE3 MET 13 2HE MET 13 3.887 12.797 5.882
87 H LYS 14 H LYS 14 1.261 7.835 0.588
88 HA LYS 14 HA LYS 14 0.737 10.031 -1.129
89 HB2 LYS 14 2HB LYS 14 0.228 7.081 -1.635
90 HB3 LYS 14 1HB LYS 14 0.609 8.306 -2.842
91 HG2 LYS 14 2HG LYS 14 2.416 7.174 -0.705
92 HG3 LYS 14 1HG LYS 14 2.663 7.180 -2.450
93 HD2 LYS 14 2HD LYS 14 2.696 9.590 -0.612
94 HD3 LYS 14 1HD LYS 14 4.076 8.892 -1.459
95 HE2 LYS 14 2HE LYS 14 1.639 9.916 -2.940
96 HE3 LYS 14 1HE LYS 14 3.042 10.944 -2.584
97 HZ1 LYS 14 3HZ LYS 14 4.448 9.162 -3.562
98 HZ2 LYS 14 1HZ LYS 14 3.424 9.913 -4.686
99 HZ3 LYS 14 2HZ LYS 14 3.032 8.377 -4.077
100 H GLY 15 H GLY 15 -1.427 8.075 0.719
101 HA2 GLY 15 2HA GLY 15 -3.738 8.859 1.037
102 HA3 GLY 15 1HA GLY 15 -3.738 9.379 -0.650
103 H TYR 16 H TYR 16 -2.564 6.290 0.651
104 HA TYR 16 HA TYR 16 -4.678 4.916 -0.975
105 HB2 TYR 16 2HB TYR 16 -1.726 4.583 -0.644
106 HB3 TYR 16 1HB TYR 16 -2.689 3.128 -0.911
107 HD1 TYR 16 2HD TYR 16 -4.309 3.103 -2.906
108 HD2 TYR 16 1HD TYR 16 -1.181 6.011 -2.442
109 HE1 TYR 16 2HE TYR 16 -4.447 3.638 -5.324
110 HE2 TYR 16 1HE TYR 16 -1.319 6.545 -4.859
111 HH TYR 16 HH TYR 16 -3.576 4.801 -7.000
112 H ASN 17 H ASN 17 -4.242 2.335 -0.091
113 HA ASN 17 HA ASN 17 -5.180 2.494 2.730
114 HB2 ASN 17 2HB ASN 17 -5.491 0.703 0.374
115 HB3 ASN 17 1HB ASN 17 -5.529 -0.079 1.955
116 HD21 ASN 17 1HD2 ASN 17 -7.348 1.888 -0.256
117 HD22 ASN 17 2HD2 ASN 17 -8.692 2.141 0.749
118 H PHE 18 H PHE 18 -2.959 0.474 0.757
119 HA PHE 18 HA PHE 18 -0.947 0.500 2.898
120 HB2 PHE 18 2HB PHE 18 -1.097 -2.059 3.042
121 HB3 PHE 18 1HB PHE 18 -2.407 -1.161 3.809
122 HD1 PHE 18 1HD PHE 18 -1.451 -2.852 0.615
123 HD2 PHE 18 2HD PHE 18 -4.643 -1.508 3.156
124 HE1 PHE 18 1HE PHE 18 -3.095 -4.000 -0.844
125 HE2 PHE 18 2HE PHE 18 -6.287 -2.656 1.697
126 HZ PHE 18 HZ PHE 18 -5.513 -3.902 -0.301
127 H GLY 19 H GLY 19 0.673 -1.532 2.154
128 HA2 GLY 19 2HA GLY 19 0.931 -1.439 -0.810
129 HA3 GLY 19 1HA GLY 19 2.299 -0.914 0.174
130 H LYS 20 H LYS 20 3.042 -2.914 -1.318
131 HA LYS 20 HA LYS 20 3.170 -5.230 0.543
132 HB2 LYS 20 2HB LYS 20 1.539 -5.037 -1.834
133 HB3 LYS 20 1HB LYS 20 2.757 -6.293 -2.051
134 HG2 LYS 20 2HG LYS 20 1.268 -6.174 0.547
135 HG3 LYS 20 1HG LYS 20 0.456 -6.852 -0.864
136 HD2 LYS 20 2HD LYS 20 3.243 -7.764 -0.294
137 HD3 LYS 20 1HD LYS 20 1.950 -8.375 0.738
138 HE2 LYS 20 2HE LYS 20 0.704 -9.107 -1.303
139 HE3 LYS 20 1HE LYS 20 2.085 -8.588 -2.292
140 HZ1 LYS 20 3HZ LYS 20 1.888 -10.811 -0.404
141 HZ2 LYS 20 1HZ LYS 20 3.365 -9.979 -0.464
142 HZ3 LYS 20 2HZ LYS 20 2.742 -10.707 -1.869
143 H CYS 21 H CYS 21 5.042 -6.543 0.162
144 HA CYS 21 HA CYS 21 7.193 -5.184 -1.348
145 HB2 CYS 21 2HB CYS 21 6.870 -7.090 0.865
146 HB3 CYS 21 1HB CYS 21 8.202 -7.500 -0.216
147 H VAL 22 H VAL 22 7.921 -5.905 -3.326
148 HA VAL 22 HA VAL 22 7.161 -8.667 -4.199
149 HB VAL 22 HB VAL 22 6.866 -6.048 -5.704
150 HG11 VAL 22 1HG1 VAL 22 7.576 -7.789 -7.243
151 HG12 VAL 22 2HG1 VAL 22 5.849 -7.515 -7.472
152 HG13 VAL 22 3HG1 VAL 22 6.408 -8.920 -6.564
153 HG21 VAL 22 3HG2 VAL 22 4.825 -8.081 -4.744
154 HG22 VAL 22 1HG2 VAL 22 4.465 -6.617 -5.659
155 HG23 VAL 22 2HG2 VAL 22 5.107 -6.498 -4.021
156 H ARG 23 H ARG 23 9.278 -9.492 -4.144
157 HA ARG 23 HA ARG 23 11.537 -9.768 -4.794
158 HB2 ARG 23 2HB ARG 23 9.873 -9.430 -6.959
159 HB3 ARG 23 1HB ARG 23 11.108 -8.208 -7.260
160 HG2 ARG 23 2HG ARG 23 11.806 -10.304 -8.285
161 HG3 ARG 23 1HG ARG 23 12.861 -9.957 -6.915
162 HD2 ARG 23 2HD ARG 23 12.296 -11.945 -5.994
163 HD3 ARG 23 1HD ARG 23 10.596 -11.434 -5.947
164 HE ARG 23 HE ARG 23 10.226 -12.648 -7.947
165 HH11 ARG 23 1HH2 ARG 23 13.587 -12.115 -7.355
166 HH12 ARG 23 2HH2 ARG 23 14.108 -13.125 -8.660
167 HH21 ARG 23 1HH1 ARG 23 10.896 -13.970 -9.650
168 HH22 ARG 23 2HH1 ARG 23 12.588 -14.174 -9.958
169 H GLY 24 H GLY 24 12.182 -8.169 -3.075
170 HA2 GLY 24 2HA GLY 24 13.247 -6.198 -2.352
171 HA3 GLY 24 1HA GLY 24 14.070 -6.301 -3.910
172 H SER 25 H SER 25 10.609 -5.960 -3.867
173 HA SER 25 HA SER 25 10.909 -3.068 -4.613
174 HB2 SER 25 2HB SER 25 10.449 -5.000 -6.385
175 HB3 SER 25 1HB SER 25 8.797 -4.833 -5.799
176 HG SER 25 HG SER 25 10.093 -3.298 -7.521
177 H CYS 26 H CYS 26 8.623 -1.986 -4.519
178 HA CYS 26 HA CYS 26 6.760 -3.171 -2.565
179 HB2 CYS 26 2HB CYS 26 8.962 -1.495 -1.814
180 HB3 CYS 26 1HB CYS 26 7.467 -0.604 -1.529
181 H GLN 27 H GLN 27 4.766 -2.573 -3.305
182 HA GLN 27 HA GLN 27 4.507 0.070 -4.707
183 HB2 GLN 27 2HB GLN 27 3.118 -2.596 -5.126
184 HB3 GLN 27 1HB GLN 27 2.696 -1.115 -5.983
185 HG2 GLN 27 2HG GLN 27 5.563 -1.958 -5.988
186 HG3 GLN 27 1HG GLN 27 4.437 -2.854 -7.009
187 HE21 GLN 27 1HE2 GLN 27 5.752 -1.813 -8.833
188 HE22 GLN 27 2HE2 GLN 27 5.324 -0.248 -9.327
189 H CYS 28 H CYS 28 1.888 0.483 -4.770
190 HA CYS 28 HA CYS 28 0.965 0.254 -1.921
191 HB2 CYS 28 2HB CYS 28 0.445 2.439 -3.963
192 HB3 CYS 28 1HB CYS 28 -0.006 2.472 -2.259
193 H ARG 29 H ARG 29 -1.233 -0.290 -1.613
194 HA ARG 29 HA ARG 29 -2.792 -0.941 -4.094
195 HB2 ARG 29 2HB ARG 29 -2.015 -2.516 -1.697
196 HB3 ARG 29 1HB ARG 29 -3.670 -2.745 -2.264
197 HG2 ARG 29 2HG ARG 29 -1.240 -2.921 -4.067
198 HG3 ARG 29 1HG ARG 29 -1.999 -4.321 -3.307
199 HD2 ARG 29 2HD ARG 29 -3.468 -4.394 -5.029
200 HD3 ARG 29 1HD ARG 29 -4.088 -2.809 -4.523
201 HE ARG 29 HE ARG 29 -2.869 -1.866 -6.306
202 HH11 ARG 29 1HH2 ARG 29 -1.534 -4.900 -5.330
203 HH12 ARG 29 2HH2 ARG 29 -0.323 -4.909 -6.568
204 HH21 ARG 29 1HH1 ARG 29 -1.292 -1.869 -7.921
205 HH22 ARG 29 2HH1 ARG 29 -0.186 -3.196 -8.032
206 H ARG 30 H ARG 30 -5.190 -1.020 -3.646
207 HA ARG 30 HA ARG 30 -5.938 1.018 -1.576
208 HB2 ARG 30 2HB ARG 30 -6.345 0.818 -4.366
209 HB3 ARG 30 1HB ARG 30 -7.918 0.514 -3.627
210 HG2 ARG 30 2HG ARG 30 -7.027 2.620 -2.125
211 HG3 ARG 30 1HG ARG 30 -6.324 2.998 -3.698
212 HD2 ARG 30 2HD ARG 30 -8.599 2.657 -4.730
213 HD3 ARG 30 1HD ARG 30 -9.257 2.497 -3.088
214 HE ARG 30 HE ARG 30 -8.917 4.820 -2.776
215 HH11 ARG 30 1HH2 ARG 30 -7.175 3.603 -5.501
216 HH12 ARG 30 2HH2 ARG 30 -6.673 5.170 -6.041
217 HH21 ARG 30 1HH1 ARG 30 -8.266 6.866 -3.472
218 HH22 ARG 30 2HH1 ARG 30 -7.288 7.014 -4.894
219 H THR 31 H THR 31 -8.747 0.491 -1.790
220 HA THR 31 HA THR 31 -8.893 -2.191 -0.454
221 HB THR 31 HB THR 31 -11.091 -0.810 0.377
222 HG1 THR 31 1HG THR 31 -10.824 1.177 -0.219
223 HG21 THR 31 3HG2 THR 31 -8.265 -0.881 1.427
224 HG22 THR 31 1HG2 THR 31 -9.667 -1.799 1.978
225 HG23 THR 31 2HG2 THR 31 -9.552 -0.074 2.323
226 H SER 32 H SER 32 -11.485 -2.777 -0.493
227 HA SER 32 HA SER 32 -12.156 -2.928 -3.396
228 HB2 SER 32 2HB SER 32 -12.960 -5.006 -2.869
229 HB3 SER 32 1HB SER 32 -11.956 -4.811 -1.435
230 HG SER 32 HG SER 32 -13.884 -5.196 -0.569
231 H GLY 33 H GLY 33 -14.742 -3.126 -3.612
232 HA2 GLY 33 2HA GLY 33 -16.695 -2.033 -2.125
233 HA3 GLY 33 1HA GLY 33 -15.797 -0.576 -2.554
Start of MODEL 5
1 H1 ALA 1 1HT ALA 1 16.380 -1.019 -0.673
2 H2 ALA 1 2HT ALA 1 17.856 -1.613 -0.081
3 H3 ALA 1 3HT ALA 1 16.926 -0.551 0.863
4 HA ALA 1 HA ALA 1 16.270 -3.362 0.154
5 HB1 ALA 1 2HB ALA 1 16.333 -2.269 2.914
6 HB2 ALA 1 3HB ALA 1 17.884 -2.320 2.077
7 HB3 ALA 1 1HB ALA 1 16.953 -3.801 2.300
8 H CYS 2 H CYS 2 14.098 -3.641 -0.144
9 HA CYS 2 HA CYS 2 12.192 -1.554 0.713
10 HB2 CYS 2 2HB CYS 2 11.898 -2.449 -1.477
11 HB3 CYS 2 1HB CYS 2 12.087 -4.106 -0.908
12 H ASN 3 H ASN 3 11.278 -1.673 2.725
13 HA ASN 3 HA ASN 3 11.090 -4.354 4.051
14 HB2 ASN 3 2HB ASN 3 11.833 -1.635 4.840
15 HB3 ASN 3 1HB ASN 3 10.644 -2.347 5.931
16 HD21 ASN 3 1HD2 ASN 3 13.947 -2.114 5.446
17 HD22 ASN 3 2HD2 ASN 3 14.438 -3.523 6.254
18 H ASP 4 H ASP 4 9.067 -5.069 4.738
19 HA ASP 4 HA ASP 4 6.682 -4.219 3.537
20 HB2 ASP 4 2HB ASP 4 7.445 -5.722 6.016
21 HB3 ASP 4 1HB ASP 4 5.744 -5.334 5.761
22 H ARG 5 H ARG 5 8.014 -3.235 6.705
23 HA ARG 5 HA ARG 5 5.803 -1.476 7.357
24 HB2 ARG 5 2HB ARG 5 8.668 -1.508 8.362
25 HB3 ARG 5 1HB ARG 5 7.265 -0.853 9.208
26 HG2 ARG 5 2HG ARG 5 6.513 -2.916 9.840
27 HG3 ARG 5 1HG ARG 5 7.035 -3.680 8.339
28 HD2 ARG 5 2HD ARG 5 8.476 -4.579 10.026
29 HD3 ARG 5 1HD ARG 5 9.448 -3.331 9.221
30 HE ARG 5 HE ARG 5 7.892 -2.211 11.391
31 HH11 ARG 5 1HH2 ARG 5 10.716 -4.030 10.583
32 HH12 ARG 5 2HH2 ARG 5 11.591 -3.539 11.994
33 HH21 ARG 5 1HH1 ARG 5 9.025 -1.566 13.233
34 HH22 ARG 5 2HH1 ARG 5 10.637 -2.147 13.493
35 H ASP 6 H ASP 6 9.072 -0.965 6.013
36 HA ASP 6 HA ASP 6 8.704 1.928 5.771
37 HB2 ASP 6 2HB ASP 6 10.814 0.198 5.938
38 HB3 ASP 6 1HB ASP 6 10.789 0.525 4.204
39 H CYS 7 H CYS 7 7.299 -0.547 4.125
40 HA CYS 7 HA CYS 7 7.492 0.783 1.451
41 HB2 CYS 7 2HB CYS 7 8.093 -1.532 1.404
42 HB3 CYS 7 1HB CYS 7 6.729 -1.977 2.427
43 H SER 8 H SER 8 5.243 -0.229 3.987
44 HA SER 8 HA SER 8 2.905 0.685 2.406
45 HB2 SER 8 2HB SER 8 2.869 -1.412 3.731
46 HB3 SER 8 1HB SER 8 3.190 -0.484 5.194
47 HG SER 8 HG SER 8 1.040 0.238 3.544
48 H LEU 9 H LEU 9 4.872 1.666 5.174
49 HA LEU 9 HA LEU 9 3.199 3.643 6.319
50 HB2 LEU 9 2HB LEU 9 6.174 3.244 6.014
51 HB3 LEU 9 1HB LEU 9 5.543 4.656 6.864
52 HG LEU 9 HG LEU 9 4.776 1.802 7.537
53 HD11 LEU 9 1HD1 LEU 9 7.253 2.898 7.947
54 HD12 LEU 9 2HD1 LEU 9 6.533 1.659 8.976
55 HD13 LEU 9 3HD1 LEU 9 6.419 3.359 9.431
56 HD21 LEU 9 3HD2 LEU 9 3.117 3.490 8.185
57 HD22 LEU 9 1HD2 LEU 9 4.374 4.455 8.957
58 HD23 LEU 9 2HD2 LEU 9 3.941 2.881 9.621
59 H ASP 10 H ASP 10 5.821 4.172 3.923
60 HA ASP 10 HA ASP 10 5.172 6.902 3.380
61 HB2 ASP 10 2HB ASP 10 7.127 5.073 2.731
62 HB3 ASP 10 1HB ASP 10 6.315 5.304 1.182
63 H CYS 11 H CYS 11 4.101 3.866 1.850
64 HA CYS 11 HA CYS 11 2.675 5.075 -0.336
65 HB2 CYS 11 2HB CYS 11 3.265 2.511 0.723
66 HB3 CYS 11 1HB CYS 11 1.509 2.599 0.585
67 H ILE 12 H ILE 12 1.719 4.171 2.973
68 HA ILE 12 HA ILE 12 -1.090 4.676 2.698
69 HB ILE 12 HB ILE 12 0.921 4.624 4.948
70 HG12 ILE 12 2HG1 ILE 12 -1.446 2.896 4.162
71 HG13 ILE 12 1HG1 ILE 12 0.257 2.485 3.965
72 HG21 ILE 12 1HG2 ILE 12 -0.483 5.924 6.167
73 HG22 ILE 12 2HG2 ILE 12 -1.553 4.522 6.178
74 HG23 ILE 12 3HG2 ILE 12 -1.775 5.789 4.973
75 HD11 ILE 12 3HD1 ILE 12 -0.048 1.447 5.979
76 HD12 ILE 12 1HD1 ILE 12 -1.421 2.465 6.412
77 HD13 ILE 12 2HD1 ILE 12 0.223 3.072 6.611
78 H MET 13 H MET 13 1.675 6.771 3.406
79 HA MET 13 HA MET 13 0.172 9.109 4.171
80 HB2 MET 13 2HB MET 13 2.941 8.591 3.059
81 HB3 MET 13 1HB MET 13 2.406 10.197 3.555
82 HG2 MET 13 2HG MET 13 1.979 9.405 5.818
83 HG3 MET 13 1HG MET 13 2.369 7.751 5.346
84 HE1 MET 13 3HE MET 13 5.106 8.845 7.754
85 HE2 MET 13 1HE MET 13 3.350 8.663 7.639
86 HE3 MET 13 2HE MET 13 4.080 10.267 7.583
87 H LYS 14 H LYS 14 1.421 7.916 1.056
88 HA LYS 14 HA LYS 14 0.925 10.165 -0.572
89 HB2 LYS 14 2HB LYS 14 0.862 7.176 -0.968
90 HB3 LYS 14 1HB LYS 14 0.545 8.269 -2.318
91 HG2 LYS 14 2HG LYS 14 2.743 9.456 -1.549
92 HG3 LYS 14 1HG LYS 14 3.068 7.936 -0.715
93 HD2 LYS 14 2HD LYS 14 2.183 7.773 -3.560
94 HD3 LYS 14 1HD LYS 14 3.826 8.337 -3.251
95 HE2 LYS 14 2HE LYS 14 4.215 6.300 -1.837
96 HE3 LYS 14 1HE LYS 14 2.609 5.714 -2.314
97 HZ1 LYS 14 3HZ LYS 14 3.634 6.457 -4.672
98 HZ2 LYS 14 1HZ LYS 14 3.713 4.874 -4.069
99 HZ3 LYS 14 2HZ LYS 14 5.040 5.920 -3.883
100 H GLY 15 H GLY 15 -1.331 7.721 0.653
101 HA2 GLY 15 2HA GLY 15 -3.667 8.780 0.964
102 HA3 GLY 15 1HA GLY 15 -3.546 9.150 -0.757
103 H TYR 16 H TYR 16 -1.980 6.259 -0.298
104 HA TYR 16 HA TYR 16 -4.152 4.749 -1.544
105 HB2 TYR 16 2HB TYR 16 -1.348 4.140 -0.572
106 HB3 TYR 16 1HB TYR 16 -2.373 2.923 -1.333
107 HD1 TYR 16 2HD TYR 16 -2.999 3.087 -3.693
108 HD2 TYR 16 1HD TYR 16 -0.476 6.032 -1.847
109 HE1 TYR 16 2HE TYR 16 -2.367 3.948 -5.932
110 HE2 TYR 16 1HE TYR 16 0.156 6.893 -4.085
111 HH TYR 16 HH TYR 16 -0.522 6.892 -6.313
112 H ASN 17 H ASN 17 -4.334 2.352 -0.506
113 HA ASN 17 HA ASN 17 -5.234 2.784 2.310
114 HB2 ASN 17 2HB ASN 17 -6.534 1.847 0.122
115 HB3 ASN 17 1HB ASN 17 -5.914 0.330 0.775
116 HD21 ASN 17 1HD2 ASN 17 -7.315 3.334 2.228
117 HD22 ASN 17 2HD2 ASN 17 -8.403 2.507 3.235
118 H PHE 18 H PHE 18 -4.013 -0.026 0.447
119 HA PHE 18 HA PHE 18 -2.048 -0.547 2.643
120 HB2 PHE 18 2HB PHE 18 -2.802 -3.015 2.298
121 HB3 PHE 18 1HB PHE 18 -3.858 -1.952 3.228
122 HD1 PHE 18 2HD PHE 18 -3.284 -3.368 -0.175
123 HD2 PHE 18 1HD PHE 18 -6.061 -1.467 2.494
124 HE1 PHE 18 2HE PHE 18 -5.118 -3.775 -1.794
125 HE2 PHE 18 1HE PHE 18 -7.895 -1.873 0.875
126 HZ PHE 18 HZ PHE 18 -7.424 -3.027 -1.269
127 H GLY 19 H GLY 19 -0.282 -1.987 1.940
128 HA2 GLY 19 2HA GLY 19 -0.097 -2.659 -0.911
129 HA3 GLY 19 1HA GLY 19 1.022 -1.400 -0.383
130 H LYS 20 H LYS 20 2.186 -3.638 -1.327
131 HA LYS 20 HA LYS 20 3.328 -4.874 1.137
132 HB2 LYS 20 2HB LYS 20 3.033 -7.089 0.198
133 HB3 LYS 20 1HB LYS 20 1.472 -6.270 0.127
134 HG2 LYS 20 2HG LYS 20 2.383 -5.504 -2.257
135 HG3 LYS 20 1HG LYS 20 3.344 -6.975 -2.095
136 HD2 LYS 20 2HD LYS 20 1.467 -8.359 -2.057
137 HD3 LYS 20 1HD LYS 20 0.402 -7.067 -1.503
138 HE2 LYS 20 2HE LYS 20 -0.104 -6.470 -3.634
139 HE3 LYS 20 1HE LYS 20 1.609 -6.448 -4.097
140 HZ1 LYS 20 3HZ LYS 20 0.411 -9.048 -3.528
141 HZ2 LYS 20 1HZ LYS 20 1.585 -8.627 -4.677
142 HZ3 LYS 20 2HZ LYS 20 -0.053 -8.297 -4.980
143 H CYS 21 H CYS 21 5.414 -6.043 0.582
144 HA CYS 21 HA CYS 21 6.894 -4.506 -1.498
145 HB2 CYS 21 2HB CYS 21 7.675 -4.576 0.864
146 HB3 CYS 21 1HB CYS 21 7.812 -6.330 0.748
147 H VAL 22 H VAL 22 7.039 -5.529 -3.465
148 HA VAL 22 HA VAL 22 6.657 -8.422 -3.727
149 HB VAL 22 HB VAL 22 7.305 -6.120 -5.581
150 HG11 VAL 22 1HG1 VAL 22 7.673 -8.972 -6.009
151 HG12 VAL 22 2HG1 VAL 22 8.092 -7.624 -7.066
152 HG13 VAL 22 3HG1 VAL 22 6.470 -8.313 -7.118
153 HG21 VAL 22 3HG2 VAL 22 4.917 -7.264 -4.489
154 HG22 VAL 22 1HG2 VAL 22 4.933 -7.578 -6.225
155 HG23 VAL 22 2HG2 VAL 22 5.061 -5.923 -5.628
156 H ARG 23 H ARG 23 8.549 -9.106 -2.397
157 HA ARG 23 HA ARG 23 10.756 -9.949 -2.256
158 HB2 ARG 23 2HB ARG 23 9.972 -9.777 -5.049
159 HB3 ARG 23 1HB ARG 23 11.711 -9.543 -4.871
160 HG2 ARG 23 2HG ARG 23 11.884 -11.787 -4.711
161 HG3 ARG 23 1HG ARG 23 11.121 -11.644 -3.127
162 HD2 ARG 23 2HD ARG 23 9.395 -11.711 -5.595
163 HD3 ARG 23 1HD ARG 23 10.016 -13.225 -4.908
164 HE ARG 23 HE ARG 23 9.062 -11.817 -2.709
165 HH11 ARG 23 1HH2 ARG 23 7.812 -12.880 -5.749
166 HH12 ARG 23 2HH2 ARG 23 6.193 -13.066 -5.164
167 HH21 ARG 23 1HH1 ARG 23 6.953 -12.055 -1.936
168 HH22 ARG 23 2HH1 ARG 23 5.706 -12.600 -3.008
169 H GLY 24 H GLY 24 11.290 -7.566 -4.826
170 HA2 GLY 24 2HA GLY 24 12.877 -5.933 -2.888
171 HA3 GLY 24 1HA GLY 24 13.490 -6.293 -4.504
172 H SER 25 H SER 25 10.147 -5.478 -3.622
173 HA SER 25 HA SER 25 10.444 -2.807 -4.904
174 HB2 SER 25 2HB SER 25 9.453 -5.164 -6.172
175 HB3 SER 25 1HB SER 25 8.079 -4.095 -5.903
176 HG SER 25 HG SER 25 10.446 -2.960 -6.843
177 H CYS 26 H CYS 26 8.216 -1.633 -4.723
178 HA CYS 26 HA CYS 26 6.753 -2.521 -2.262
179 HB2 CYS 26 2HB CYS 26 8.493 -0.823 -1.751
180 HB3 CYS 26 1HB CYS 26 7.768 0.262 -2.937
181 H GLN 27 H GLN 27 4.860 -3.088 -3.408
182 HA GLN 27 HA GLN 27 3.640 -1.002 -5.170
183 HB2 GLN 27 2HB GLN 27 3.778 -3.932 -5.049
184 HB3 GLN 27 1HB GLN 27 2.142 -3.334 -5.331
185 HG2 GLN 27 2HG GLN 27 4.555 -2.415 -6.912
186 HG3 GLN 27 1HG GLN 27 3.475 -3.706 -7.439
187 HE21 GLN 27 1HE2 GLN 27 3.925 -0.307 -7.464
188 HE22 GLN 27 2HE2 GLN 27 2.377 0.125 -8.008
189 H CYS 28 H CYS 28 1.323 -0.549 -4.850
190 HA CYS 28 HA CYS 28 0.221 -1.355 -2.199
191 HB2 CYS 28 2HB CYS 28 0.376 1.494 -3.219
192 HB3 CYS 28 1HB CYS 28 -0.176 0.968 -1.629
193 H ARG 29 H ARG 29 -2.140 -0.581 -2.041
194 HA ARG 29 HA ARG 29 -3.455 -0.367 -4.715
195 HB2 ARG 29 2HB ARG 29 -3.824 -2.468 -2.571
196 HB3 ARG 29 1HB ARG 29 -5.045 -2.176 -3.812
197 HG2 ARG 29 2HG ARG 29 -2.139 -2.813 -4.396
198 HG3 ARG 29 1HG ARG 29 -3.440 -4.004 -4.420
199 HD2 ARG 29 2HD ARG 29 -4.615 -2.382 -6.083
200 HD3 ARG 29 1HD ARG 29 -3.001 -1.669 -6.281
201 HE ARG 29 HE ARG 29 -2.972 -4.581 -6.426
202 HH11 ARG 29 1HH2 ARG 29 -3.477 -1.615 -8.124
203 HH12 ARG 29 2HH2 ARG 29 -3.082 -2.285 -9.671
204 HH21 ARG 29 1HH1 ARG 29 -2.457 -5.464 -8.437
205 HH22 ARG 29 2HH1 ARG 29 -2.506 -4.462 -9.849
206 H ARG 30 H ARG 30 -5.799 0.244 -4.458
207 HA ARG 30 HA ARG 30 -6.192 1.907 -1.994
208 HB2 ARG 30 2HB ARG 30 -6.864 2.175 -4.908
209 HB3 ARG 30 1HB ARG 30 -7.869 3.011 -3.723
210 HG2 ARG 30 2HG ARG 30 -5.726 3.960 -2.741
211 HG3 ARG 30 1HG ARG 30 -4.889 3.319 -4.155
212 HD2 ARG 30 2HD ARG 30 -5.499 5.676 -4.543
213 HD3 ARG 30 1HD ARG 30 -6.451 4.633 -5.620
214 HE ARG 30 HE ARG 30 -7.749 5.070 -3.048
215 HH11 ARG 30 1HH2 ARG 30 -7.172 6.300 -6.223
216 HH12 ARG 30 2HH2 ARG 30 -8.625 7.240 -6.262
217 HH21 ARG 30 1HH1 ARG 30 -9.647 6.292 -3.089
218 HH22 ARG 30 2HH1 ARG 30 -10.024 7.236 -4.491
219 H THR 31 H THR 31 -8.898 2.371 -2.183
220 HA THR 31 HA THR 31 -10.020 -0.305 -1.543
221 HB THR 31 HB THR 31 -11.926 1.331 -0.770
222 HG1 THR 31 1HG THR 31 -11.465 3.279 -1.400
223 HG21 THR 31 3HG2 THR 31 -10.275 0.089 0.678
224 HG22 THR 31 1HG2 THR 31 -10.809 1.632 1.343
225 HG23 THR 31 2HG2 THR 31 -9.223 1.501 0.581
226 H SER 32 H SER 32 -12.702 0.110 -2.051
227 HA SER 32 HA SER 32 -12.762 0.153 -5.036
228 HB2 SER 32 2HB SER 32 -15.058 -0.954 -4.449
229 HB3 SER 32 1HB SER 32 -13.585 -1.880 -4.183
230 HG SER 32 HG SER 32 -14.416 -2.026 -2.237
231 H GLY 33 H GLY 33 -12.887 2.507 -5.221
232 HA2 GLY 33 2HA GLY 33 -15.621 3.528 -4.649
233 HA3 GLY 33 1HA GLY 33 -14.237 4.480 -4.112
Start of MODEL 6
1 H1 ALA 1 1HT ALA 1 12.897 2.785 -0.830
2 H2 ALA 1 2HT ALA 1 11.671 2.369 0.269
3 H3 ALA 1 3HT ALA 1 11.499 1.998 -1.381
4 HA ALA 1 HA ALA 1 13.523 0.536 -1.157
5 HB1 ALA 1 2HB ALA 1 12.858 0.987 1.767
6 HB2 ALA 1 3HB ALA 1 14.183 1.795 0.930
7 HB3 ALA 1 1HB ALA 1 14.199 0.042 1.121
8 H CYS 2 H CYS 2 13.131 -1.782 -0.381
9 HA CYS 2 HA CYS 2 10.222 -2.373 -0.554
10 HB2 CYS 2 2HB CYS 2 11.631 -3.492 -2.144
11 HB3 CYS 2 1HB CYS 2 12.777 -3.962 -0.889
12 H ASN 3 H ASN 3 9.642 -1.903 1.668
13 HA ASN 3 HA ASN 3 10.414 -4.080 3.549
14 HB2 ASN 3 2HB ASN 3 11.322 -1.340 3.589
15 HB3 ASN 3 1HB ASN 3 10.347 -1.659 5.024
16 HD21 ASN 3 1HD2 ASN 3 13.058 -1.251 5.450
17 HD22 ASN 3 2HD2 ASN 3 13.825 -2.717 5.827
18 H ASP 4 H ASP 4 8.604 -4.795 4.623
19 HA ASP 4 HA ASP 4 5.981 -3.985 4.068
20 HB2 ASP 4 2HB ASP 4 7.121 -5.133 6.639
21 HB3 ASP 4 1HB ASP 4 5.440 -5.254 6.115
22 H ARG 5 H ARG 5 8.182 -2.780 6.589
23 HA ARG 5 HA ARG 5 6.207 -1.087 7.879
24 HB2 ARG 5 2HB ARG 5 8.408 -2.065 8.776
25 HB3 ARG 5 1HB ARG 5 9.219 -0.781 7.876
26 HG2 ARG 5 2HG ARG 5 8.864 0.546 9.665
27 HG3 ARG 5 1HG ARG 5 7.155 0.527 9.231
28 HD2 ARG 5 2HD ARG 5 7.707 -1.922 10.592
29 HD3 ARG 5 1HD ARG 5 8.379 -0.596 11.563
30 HE ARG 5 HE ARG 5 5.551 -1.035 11.033
31 HH11 ARG 5 1HH2 ARG 5 8.037 1.303 11.573
32 HH12 ARG 5 2HH2 ARG 5 6.953 2.497 12.201
33 HH21 ARG 5 1HH1 ARG 5 4.132 0.516 11.852
34 HH22 ARG 5 2HH1 ARG 5 4.746 2.053 12.361
35 H ASP 6 H ASP 6 8.765 -0.534 5.450
36 HA ASP 6 HA ASP 6 8.177 2.327 5.240
37 HB2 ASP 6 2HB ASP 6 9.966 0.293 3.951
38 HB3 ASP 6 1HB ASP 6 9.735 1.845 3.145
39 H CYS 7 H CYS 7 7.056 -0.607 3.722
40 HA CYS 7 HA CYS 7 6.036 0.640 1.293
41 HB2 CYS 7 2HB CYS 7 5.711 -1.996 2.731
42 HB3 CYS 7 1HB CYS 7 4.789 -1.637 1.272
43 H SER 8 H SER 8 4.700 -0.206 4.474
44 HA SER 8 HA SER 8 1.975 0.601 3.716
45 HB2 SER 8 2HB SER 8 2.916 0.150 6.525
46 HB3 SER 8 1HB SER 8 1.422 -0.371 5.753
47 HG SER 8 HG SER 8 2.864 -2.112 6.049
48 H LEU 9 H LEU 9 4.715 1.956 5.527
49 HA LEU 9 HA LEU 9 3.255 4.193 6.644
50 HB2 LEU 9 2HB LEU 9 6.005 3.164 6.439
51 HB3 LEU 9 1HB LEU 9 5.911 4.925 6.507
52 HG LEU 9 HG LEU 9 4.231 3.353 8.417
53 HD11 LEU 9 1HD1 LEU 9 6.379 2.247 8.649
54 HD12 LEU 9 2HD1 LEU 9 6.170 3.343 10.015
55 HD13 LEU 9 3HD1 LEU 9 7.220 3.797 8.672
56 HD21 LEU 9 3HD2 LEU 9 5.449 5.456 9.722
57 HD22 LEU 9 1HD2 LEU 9 3.869 5.534 8.941
58 HD23 LEU 9 2HD2 LEU 9 5.309 6.070 8.075
59 H ASP 10 H ASP 10 5.575 3.979 3.912
60 HA ASP 10 HA ASP 10 5.245 6.673 3.018
61 HB2 ASP 10 2HB ASP 10 6.875 4.597 2.454
62 HB3 ASP 10 1HB ASP 10 5.788 4.486 1.068
63 H CYS 11 H CYS 11 3.295 3.802 2.567
64 HA CYS 11 HA CYS 11 1.805 4.822 0.267
65 HB2 CYS 11 2HB CYS 11 1.749 2.481 2.138
66 HB3 CYS 11 1HB CYS 11 0.309 2.811 1.174
67 H ILE 12 H ILE 12 1.134 4.443 3.768
68 HA ILE 12 HA ILE 12 -1.519 5.519 3.712
69 HB ILE 12 HB ILE 12 0.653 5.358 5.820
70 HG12 ILE 12 2HG1 ILE 12 -1.870 3.739 5.349
71 HG13 ILE 12 1HG1 ILE 12 -0.241 3.218 4.920
72 HG21 ILE 12 1HG2 ILE 12 -1.113 7.169 6.214
73 HG22 ILE 12 2HG2 ILE 12 -0.963 5.945 7.476
74 HG23 ILE 12 3HG2 ILE 12 -2.288 5.858 6.316
75 HD11 ILE 12 3HD1 ILE 12 -0.804 2.234 7.061
76 HD12 ILE 12 1HD1 ILE 12 -1.287 3.803 7.704
77 HD13 ILE 12 2HD1 ILE 12 0.408 3.486 7.334
78 H MET 13 H MET 13 1.660 7.046 3.835
79 HA MET 13 HA MET 13 0.570 9.707 4.457
80 HB2 MET 13 2HB MET 13 3.314 8.770 3.553
81 HB3 MET 13 1HB MET 13 2.942 10.343 4.258
82 HG2 MET 13 2HG MET 13 2.174 9.225 6.328
83 HG3 MET 13 1HG MET 13 2.587 7.661 5.627
84 HE1 MET 13 3HE MET 13 4.944 9.817 8.376
85 HE2 MET 13 1HE MET 13 3.219 9.782 7.987
86 HE3 MET 13 2HE MET 13 4.257 11.026 7.295
87 H LYS 14 H LYS 14 1.487 7.852 1.617
88 HA LYS 14 HA LYS 14 1.566 10.144 -0.194
89 HB2 LYS 14 2HB LYS 14 1.745 7.162 -0.308
90 HB3 LYS 14 1HB LYS 14 1.367 8.015 -1.804
91 HG2 LYS 14 2HG LYS 14 3.470 9.446 -0.522
92 HG3 LYS 14 1HG LYS 14 3.912 7.738 -0.515
93 HD2 LYS 14 2HD LYS 14 4.333 7.775 -2.725
94 HD3 LYS 14 1HD LYS 14 2.742 8.460 -3.061
95 HE2 LYS 14 2HE LYS 14 3.600 10.725 -2.536
96 HE3 LYS 14 1HE LYS 14 5.205 10.035 -2.221
97 HZ1 LYS 14 3HZ LYS 14 4.500 10.862 -4.620
98 HZ2 LYS 14 1HZ LYS 14 3.881 9.285 -4.715
99 HZ3 LYS 14 2HZ LYS 14 5.532 9.531 -4.395
100 H GLY 15 H GLY 15 -0.869 7.877 0.944
101 HA2 GLY 15 2HA GLY 15 -3.223 8.801 0.771
102 HA3 GLY 15 1HA GLY 15 -2.838 9.158 -0.912
103 H TYR 16 H TYR 16 -1.504 6.235 0.321
104 HA TYR 16 HA TYR 16 -3.409 4.686 -1.367
105 HB2 TYR 16 2HB TYR 16 -0.634 4.280 -0.247
106 HB3 TYR 16 1HB TYR 16 -1.542 2.938 -0.944
107 HD1 TYR 16 2HD TYR 16 -0.274 6.372 -1.666
108 HD2 TYR 16 1HD TYR 16 -1.690 2.656 -3.292
109 HE1 TYR 16 2HE TYR 16 0.364 7.123 -3.941
110 HE2 TYR 16 1HE TYR 16 -1.052 3.409 -5.567
111 HH TYR 16 HH TYR 16 0.076 4.962 -6.739
112 H ASN 17 H ASN 17 -3.319 2.212 -0.265
113 HA ASN 17 HA ASN 17 -4.344 2.591 2.534
114 HB2 ASN 17 2HB ASN 17 -5.409 1.288 0.087
115 HB3 ASN 17 1HB ASN 17 -5.651 0.397 1.591
116 HD21 ASN 17 1HD2 ASN 17 -7.252 1.169 3.031
117 HD22 ASN 17 2HD2 ASN 17 -8.138 2.596 2.780
118 H PHE 18 H PHE 18 -3.229 -0.001 0.310
119 HA PHE 18 HA PHE 18 -1.369 -0.962 2.424
120 HB2 PHE 18 2HB PHE 18 -2.363 -3.302 1.942
121 HB3 PHE 18 1HB PHE 18 -3.327 -2.209 2.933
122 HD1 PHE 18 1HD PHE 18 -2.882 -3.530 -0.517
123 HD2 PHE 18 2HD PHE 18 -5.452 -1.412 2.197
124 HE1 PHE 18 1HE PHE 18 -4.733 -3.671 -2.160
125 HE2 PHE 18 2HE PHE 18 -7.303 -1.552 0.552
126 HZ PHE 18 HZ PHE 18 -6.944 -2.681 -1.626
127 H GLY 19 H GLY 19 0.317 -2.333 1.543
128 HA2 GLY 19 2HA GLY 19 0.359 -2.565 -1.430
129 HA3 GLY 19 1HA GLY 19 1.734 -1.838 -0.597
130 H LYS 20 H LYS 20 3.215 -3.478 -1.171
131 HA LYS 20 HA LYS 20 3.463 -5.714 0.574
132 HB2 LYS 20 2HB LYS 20 1.460 -6.001 -1.378
133 HB3 LYS 20 1HB LYS 20 2.814 -6.964 -1.972
134 HG2 LYS 20 2HG LYS 20 2.784 -7.601 0.709
135 HG3 LYS 20 1HG LYS 20 1.067 -7.424 0.348
136 HD2 LYS 20 2HD LYS 20 1.512 -9.686 -0.161
137 HD3 LYS 20 1HD LYS 20 1.563 -8.887 -1.734
138 HE2 LYS 20 2HE LYS 20 4.047 -8.710 -1.533
139 HE3 LYS 20 1HE LYS 20 3.959 -9.618 -0.011
140 HZ1 LYS 20 3HZ LYS 20 3.189 -11.498 -1.067
141 HZ2 LYS 20 1HZ LYS 20 4.269 -10.900 -2.228
142 HZ3 LYS 20 2HZ LYS 20 2.600 -10.645 -2.412
143 H CYS 21 H CYS 21 5.517 -6.635 0.287
144 HA CYS 21 HA CYS 21 7.162 -5.494 -1.912
145 HB2 CYS 21 2HB CYS 21 7.487 -6.221 0.859
146 HB3 CYS 21 1HB CYS 21 8.681 -7.078 -0.116
147 H VAL 22 H VAL 22 7.638 -6.741 -3.668
148 HA VAL 22 HA VAL 22 7.032 -9.647 -3.588
149 HB VAL 22 HB VAL 22 7.815 -7.742 -5.820
150 HG11 VAL 22 1HG1 VAL 22 8.022 -9.582 -7.101
151 HG12 VAL 22 2HG1 VAL 22 6.351 -10.008 -6.731
152 HG13 VAL 22 3HG1 VAL 22 7.660 -10.607 -5.712
153 HG21 VAL 22 3HG2 VAL 22 5.651 -7.110 -5.870
154 HG22 VAL 22 1HG2 VAL 22 5.408 -7.990 -4.361
155 HG23 VAL 22 2HG2 VAL 22 5.120 -8.791 -5.904
156 H ARG 23 H ARG 23 9.286 -8.953 -2.050
157 HA ARG 23 HA ARG 23 11.535 -9.621 -1.755
158 HB2 ARG 23 2HB ARG 23 10.272 -11.344 -3.736
159 HB3 ARG 23 1HB ARG 23 12.007 -11.200 -4.025
160 HG2 ARG 23 2HG ARG 23 12.486 -12.474 -2.228
161 HG3 ARG 23 1HG ARG 23 11.441 -11.501 -1.191
162 HD2 ARG 23 2HD ARG 23 10.270 -13.502 -1.104
163 HD3 ARG 23 1HD ARG 23 9.541 -12.831 -2.577
164 HE ARG 23 HE ARG 23 10.767 -14.411 -3.847
165 HH11 ARG 23 1HH2 ARG 23 11.987 -14.096 -0.630
166 HH12 ARG 23 2HH2 ARG 23 13.102 -15.410 -0.788
167 HH21 ARG 23 1HH1 ARG 23 12.219 -16.126 -4.062
168 HH22 ARG 23 2HH1 ARG 23 13.235 -16.558 -2.727
169 H GLY 24 H GLY 24 12.207 -7.377 -2.237
170 HA2 GLY 24 2HA GLY 24 14.106 -6.319 -3.357
171 HA3 GLY 24 1HA GLY 24 13.704 -7.232 -4.812
172 H SER 25 H SER 25 10.755 -6.529 -4.205
173 HA SER 25 HA SER 25 10.854 -3.671 -5.110
174 HB2 SER 25 2HB SER 25 10.529 -5.599 -6.855
175 HB3 SER 25 1HB SER 25 8.902 -5.696 -6.189
176 HG SER 25 HG SER 25 9.070 -3.240 -6.525
177 H CYS 26 H CYS 26 8.751 -2.543 -4.761
178 HA CYS 26 HA CYS 26 7.000 -3.837 -2.710
179 HB2 CYS 26 2HB CYS 26 8.622 -2.535 -1.494
180 HB3 CYS 26 1HB CYS 26 8.425 -1.166 -2.588
181 H GLN 27 H GLN 27 4.913 -3.656 -3.393
182 HA GLN 27 HA GLN 27 4.212 -1.438 -5.278
183 HB2 GLN 27 2HB GLN 27 2.803 -4.062 -4.694
184 HB3 GLN 27 1HB GLN 27 2.468 -2.963 -6.033
185 HG2 GLN 27 2HG GLN 27 4.732 -3.341 -6.924
186 HG3 GLN 27 1HG GLN 27 5.083 -4.431 -5.581
187 HE21 GLN 27 1HE2 GLN 27 4.589 -4.759 -8.704
188 HE22 GLN 27 2HE2 GLN 27 3.570 -6.115 -8.763
189 H CYS 28 H CYS 28 1.744 -0.858 -5.021
190 HA CYS 28 HA CYS 28 0.842 -0.922 -2.187
191 HB2 CYS 28 2HB CYS 28 2.420 1.052 -2.764
192 HB3 CYS 28 1HB CYS 28 1.062 1.677 -3.698
193 H ARG 29 H ARG 29 -1.429 -0.325 -1.983
194 HA ARG 29 HA ARG 29 -2.931 0.053 -4.530
195 HB2 ARG 29 2HB ARG 29 -2.714 -2.360 -2.899
196 HB3 ARG 29 1HB ARG 29 -4.390 -1.840 -3.081
197 HG2 ARG 29 2HG ARG 29 -2.448 -2.165 -5.386
198 HG3 ARG 29 1HG ARG 29 -3.638 -3.378 -4.909
199 HD2 ARG 29 2HD ARG 29 -4.429 -0.527 -5.568
200 HD3 ARG 29 1HD ARG 29 -4.378 -1.812 -6.792
201 HE ARG 29 HE ARG 29 -6.338 -1.593 -4.641
202 HH11 ARG 29 1HH2 ARG 29 -4.571 -3.696 -6.736
203 HH12 ARG 29 2HH2 ARG 29 -5.749 -4.962 -6.668
204 HH21 ARG 29 1HH1 ARG 29 -7.880 -3.238 -4.545
205 HH22 ARG 29 2HH1 ARG 29 -7.621 -4.705 -5.431
206 H ARG 30 H ARG 30 -4.702 1.390 -4.231
207 HA ARG 30 HA ARG 30 -5.136 2.512 -1.529
208 HB2 ARG 30 2HB ARG 30 -6.435 3.156 -4.195
209 HB3 ARG 30 1HB ARG 30 -6.389 4.188 -2.766
210 HG2 ARG 30 2HG ARG 30 -4.421 5.041 -3.439
211 HG3 ARG 30 1HG ARG 30 -3.705 3.430 -3.385
212 HD2 ARG 30 2HD ARG 30 -3.466 4.332 -5.652
213 HD3 ARG 30 1HD ARG 30 -4.649 3.009 -5.691
214 HE ARG 30 HE ARG 30 -6.064 5.396 -5.104
215 HH11 ARG 30 1HH2 ARG 30 -4.206 3.952 -7.633
216 HH12 ARG 30 2HH2 ARG 30 -5.052 4.775 -8.900
217 HH21 ARG 30 1HH1 ARG 30 -7.173 6.474 -6.748
218 HH22 ARG 30 2HH1 ARG 30 -6.730 6.200 -8.400
219 H THR 31 H THR 31 -7.871 3.172 -1.777
220 HA THR 31 HA THR 31 -9.123 0.478 -1.419
221 HB THR 31 HB THR 31 -10.809 2.427 -0.374
222 HG1 THR 31 1HG THR 31 -8.901 3.438 0.940
223 HG21 THR 31 3HG2 THR 31 -10.409 0.498 0.893
224 HG22 THR 31 1HG2 THR 31 -9.579 1.745 1.823
225 HG23 THR 31 2HG2 THR 31 -8.657 0.669 0.774
226 H SER 32 H SER 32 -11.568 0.524 -1.968
227 HA SER 32 HA SER 32 -12.428 2.407 -4.044
228 HB2 SER 32 2HB SER 32 -11.207 -0.240 -4.614
229 HB3 SER 32 1HB SER 32 -12.664 0.143 -5.527
230 HG SER 32 HG SER 32 -10.652 2.080 -5.255
231 H GLY 33 H GLY 33 -13.321 -0.999 -3.989
232 HA2 GLY 33 2HA GLY 33 -15.741 -0.398 -2.380
233 HA3 GLY 33 1HA GLY 33 -15.979 -0.992 -4.025
Start of MODEL 7
1 H1 ALA 1 1HT ALA 1 15.281 -1.804 0.545
2 H2 ALA 1 2HT ALA 1 16.637 -2.513 1.283
3 H3 ALA 1 3HT ALA 1 16.123 -0.963 1.753
4 HA ALA 1 HA ALA 1 15.096 -3.573 2.537
5 HB1 ALA 1 2HB ALA 1 16.384 -1.568 3.739
6 HB2 ALA 1 3HB ALA 1 15.178 -2.520 4.605
7 HB3 ALA 1 1HB ALA 1 14.746 -0.947 3.934
8 H CYS 2 H CYS 2 13.273 -3.881 1.091
9 HA CYS 2 HA CYS 2 11.174 -1.790 1.038
10 HB2 CYS 2 2HB CYS 2 10.233 -3.172 -0.701
11 HB3 CYS 2 1HB CYS 2 11.978 -3.147 -0.956
12 H ASN 3 H ASN 3 11.710 -3.067 3.607
13 HA ASN 3 HA ASN 3 10.054 -5.221 4.313
14 HB2 ASN 3 2HB ASN 3 10.171 -4.242 6.556
15 HB3 ASN 3 1HB ASN 3 11.716 -4.009 5.736
16 HD21 ASN 3 1HD2 ASN 3 11.216 -2.247 7.792
17 HD22 ASN 3 2HD2 ASN 3 10.802 -0.715 7.190
18 H ASP 4 H ASP 4 7.875 -5.277 5.181
19 HA ASP 4 HA ASP 4 5.936 -3.749 3.720
20 HB2 ASP 4 2HB ASP 4 6.042 -5.747 5.922
21 HB3 ASP 4 1HB ASP 4 4.558 -4.801 5.804
22 H ARG 5 H ARG 5 7.722 -3.038 6.582
23 HA ARG 5 HA ARG 5 5.784 -1.269 7.839
24 HB2 ARG 5 2HB ARG 5 7.561 -2.382 9.081
25 HB3 ARG 5 1HB ARG 5 8.789 -1.625 8.067
26 HG2 ARG 5 2HG ARG 5 8.654 0.364 9.167
27 HG3 ARG 5 1HG ARG 5 6.902 0.257 9.341
28 HD2 ARG 5 2HD ARG 5 7.659 -1.766 10.994
29 HD3 ARG 5 1HD ARG 5 9.031 -0.657 11.191
30 HE ARG 5 HE ARG 5 7.563 0.902 12.200
31 HH11 ARG 5 1HH2 ARG 5 5.860 -1.567 10.485
32 HH12 ARG 5 2HH2 ARG 5 4.301 -1.058 11.044
33 HH21 ARG 5 1HH1 ARG 5 5.537 1.572 12.934
34 HH22 ARG 5 2HH1 ARG 5 4.118 0.716 12.428
35 H ASP 6 H ASP 6 8.833 -0.636 6.050
36 HA ASP 6 HA ASP 6 8.249 2.222 5.839
37 HB2 ASP 6 2HB ASP 6 10.470 0.594 5.790
38 HB3 ASP 6 1HB ASP 6 10.289 1.015 4.087
39 H CYS 7 H CYS 7 7.756 -0.628 3.844
40 HA CYS 7 HA CYS 7 7.344 0.827 1.354
41 HB2 CYS 7 2HB CYS 7 8.077 -1.577 1.655
42 HB3 CYS 7 1HB CYS 7 6.434 -1.948 2.175
43 H SER 8 H SER 8 5.272 -0.355 3.978
44 HA SER 8 HA SER 8 2.780 0.248 2.572
45 HB2 SER 8 2HB SER 8 1.799 -0.612 4.549
46 HB3 SER 8 1HB SER 8 3.316 -1.493 4.414
47 HG SER 8 HG SER 8 2.474 0.265 6.311
48 H LEU 9 H LEU 9 4.675 1.771 5.195
49 HA LEU 9 HA LEU 9 2.948 3.888 5.870
50 HB2 LEU 9 2HB LEU 9 5.754 3.159 6.091
51 HB3 LEU 9 1HB LEU 9 5.570 4.903 5.891
52 HG LEU 9 HG LEU 9 3.644 3.671 7.759
53 HD11 LEU 9 1HD1 LEU 9 5.130 3.112 9.475
54 HD12 LEU 9 2HD1 LEU 9 6.452 4.040 8.767
55 HD13 LEU 9 3HD1 LEU 9 5.975 2.498 8.055
56 HD21 LEU 9 3HD2 LEU 9 5.344 6.133 7.524
57 HD22 LEU 9 1HD2 LEU 9 4.702 5.687 9.105
58 HD23 LEU 9 2HD2 LEU 9 3.601 6.000 7.763
59 H ASP 10 H ASP 10 5.333 3.711 3.216
60 HA ASP 10 HA ASP 10 5.005 6.391 2.263
61 HB2 ASP 10 2HB ASP 10 6.875 4.997 1.619
62 HB3 ASP 10 1HB ASP 10 5.794 3.773 0.951
63 H CYS 11 H CYS 11 3.100 3.473 1.827
64 HA CYS 11 HA CYS 11 1.602 4.357 -0.486
65 HB2 CYS 11 2HB CYS 11 0.979 2.360 1.716
66 HB3 CYS 11 1HB CYS 11 0.169 2.441 0.152
67 H ILE 12 H ILE 12 1.019 4.474 3.034
68 HA ILE 12 HA ILE 12 -1.627 5.563 2.921
69 HB ILE 12 HB ILE 12 0.637 5.660 4.933
70 HG12 ILE 12 2HG1 ILE 12 -1.976 4.197 5.214
71 HG13 ILE 12 1HG1 ILE 12 -0.701 3.510 4.207
72 HG21 ILE 12 1HG2 ILE 12 -0.738 7.575 5.422
73 HG22 ILE 12 2HG2 ILE 12 -1.194 6.309 6.562
74 HG23 ILE 12 3HG2 ILE 12 -2.218 6.649 5.167
75 HD11 ILE 12 3HD1 ILE 12 -0.826 2.951 6.799
76 HD12 ILE 12 1HD1 ILE 12 0.021 4.492 6.941
77 HD13 ILE 12 2HD1 ILE 12 0.730 3.178 6.001
78 H MET 13 H MET 13 1.569 7.153 3.205
79 HA MET 13 HA MET 13 0.587 9.844 3.309
80 HB2 MET 13 2HB MET 13 2.928 8.725 3.753
81 HB3 MET 13 1HB MET 13 3.194 9.047 2.039
82 HG2 MET 13 2HG MET 13 2.092 11.419 3.024
83 HG3 MET 13 1HG MET 13 3.212 10.901 4.283
84 HE1 MET 13 3HE MET 13 2.465 12.575 1.372
85 HE2 MET 13 1HE MET 13 3.152 11.493 0.152
86 HE3 MET 13 2HE MET 13 3.951 13.017 0.536
87 H LYS 14 H LYS 14 1.272 7.647 0.631
88 HA LYS 14 HA LYS 14 1.166 9.650 -1.463
89 HB2 LYS 14 2HB LYS 14 1.044 6.650 -1.233
90 HB3 LYS 14 1HB LYS 14 0.734 7.422 -2.789
91 HG2 LYS 14 2HG LYS 14 3.054 8.626 -1.588
92 HG3 LYS 14 1HG LYS 14 3.254 6.873 -1.605
93 HD2 LYS 14 2HD LYS 14 3.762 6.998 -3.793
94 HD3 LYS 14 1HD LYS 14 2.119 7.556 -4.102
95 HE2 LYS 14 2HE LYS 14 4.108 9.558 -3.091
96 HE3 LYS 14 1HE LYS 14 4.194 9.068 -4.795
97 HZ1 LYS 14 3HZ LYS 14 2.590 10.955 -4.170
98 HZ2 LYS 14 1HZ LYS 14 1.606 9.728 -3.538
99 HZ3 LYS 14 2HZ LYS 14 2.017 9.721 -5.186
100 H GLY 15 H GLY 15 -1.221 7.600 0.153
101 HA2 GLY 15 2HA GLY 15 -3.513 8.861 0.074
102 HA3 GLY 15 1HA GLY 15 -3.339 8.639 -1.668
103 H TYR 16 H TYR 16 -1.883 5.986 -0.553
104 HA TYR 16 HA TYR 16 -4.277 4.316 -0.964
105 HB2 TYR 16 2HB TYR 16 -1.368 3.624 -0.437
106 HB3 TYR 16 1HB TYR 16 -2.597 2.543 -1.089
107 HD1 TYR 16 2HD TYR 16 -4.020 3.975 -3.075
108 HD2 TYR 16 1HD TYR 16 0.150 4.266 -2.083
109 HE1 TYR 16 2HE TYR 16 -3.534 4.802 -5.362
110 HE2 TYR 16 1HE TYR 16 0.635 5.093 -4.372
111 HH TYR 16 HH TYR 16 -1.462 4.805 -6.912
112 H ASN 17 H ASN 17 -3.871 2.145 0.612
113 HA ASN 17 HA ASN 17 -3.963 3.232 3.409
114 HB2 ASN 17 2HB ASN 17 -6.145 2.546 2.463
115 HB3 ASN 17 1HB ASN 17 -5.489 0.944 2.122
116 HD21 ASN 17 1HD2 ASN 17 -7.673 1.904 4.087
117 HD22 ASN 17 2HD2 ASN 17 -7.207 1.228 5.573
118 H PHE 18 H PHE 18 -3.157 0.406 1.385
119 HA PHE 18 HA PHE 18 -1.029 -0.315 3.342
120 HB2 PHE 18 2HB PHE 18 -1.883 -2.678 3.286
121 HB3 PHE 18 1HB PHE 18 -3.017 -1.551 4.032
122 HD1 PHE 18 1HD PHE 18 -5.005 -0.746 2.769
123 HD2 PHE 18 2HD PHE 18 -2.384 -3.764 1.196
124 HE1 PHE 18 1HE PHE 18 -6.728 -1.372 1.098
125 HE2 PHE 18 2HE PHE 18 -4.107 -4.390 -0.474
126 HZ PHE 18 HZ PHE 18 -6.279 -3.195 -0.522
127 H GLY 19 H GLY 19 0.715 -1.418 2.346
128 HA2 GLY 19 2HA GLY 19 0.433 -2.052 -0.554
129 HA3 GLY 19 1HA GLY 19 1.756 -1.012 -0.023
130 H LYS 20 H LYS 20 2.900 -2.975 -1.132
131 HA LYS 20 HA LYS 20 3.971 -4.664 1.020
132 HB2 LYS 20 2HB LYS 20 1.731 -5.507 -0.443
133 HB3 LYS 20 1HB LYS 20 3.087 -6.374 -1.164
134 HG2 LYS 20 2HG LYS 20 3.421 -6.400 1.678
135 HG3 LYS 20 1HG LYS 20 1.776 -6.920 1.309
136 HD2 LYS 20 2HD LYS 20 4.289 -8.053 0.044
137 HD3 LYS 20 1HD LYS 20 3.351 -8.833 1.319
138 HE2 LYS 20 2HE LYS 20 1.976 -9.717 -0.245
139 HE3 LYS 20 1HE LYS 20 1.551 -8.081 -0.792
140 HZ1 LYS 20 3HZ LYS 20 2.785 -9.670 -2.407
141 HZ2 LYS 20 1HZ LYS 20 4.160 -9.235 -1.515
142 HZ3 LYS 20 2HZ LYS 20 3.256 -8.041 -2.317
143 H CYS 21 H CYS 21 5.873 -5.884 0.263
144 HA CYS 21 HA CYS 21 7.263 -4.504 -1.946
145 HB2 CYS 21 2HB CYS 21 8.360 -4.932 0.208
146 HB3 CYS 21 1HB CYS 21 8.062 -6.660 0.038
147 H VAL 22 H VAL 22 7.754 -5.468 -3.931
148 HA VAL 22 HA VAL 22 6.719 -8.255 -4.345
149 HB VAL 22 HB VAL 22 6.950 -5.936 -6.289
150 HG11 VAL 22 1HG1 VAL 22 5.187 -7.579 -7.427
151 HG12 VAL 22 2HG1 VAL 22 6.069 -8.786 -6.493
152 HG13 VAL 22 3HG1 VAL 22 6.920 -7.790 -7.672
153 HG21 VAL 22 3HG2 VAL 22 5.000 -6.562 -4.249
154 HG22 VAL 22 1HG2 VAL 22 4.260 -6.684 -5.845
155 HG23 VAL 22 2HG2 VAL 22 5.044 -5.184 -5.350
156 H ARG 23 H ARG 23 8.757 -9.278 -3.946
157 HA ARG 23 HA ARG 23 10.922 -10.046 -4.491
158 HB2 ARG 23 2HB ARG 23 9.247 -9.763 -6.800
159 HB3 ARG 23 1HB ARG 23 10.907 -9.398 -7.266
160 HG2 ARG 23 2HG ARG 23 11.402 -11.566 -5.784
161 HG3 ARG 23 1HG ARG 23 9.743 -11.951 -6.246
162 HD2 ARG 23 2HD ARG 23 11.301 -10.957 -8.516
163 HD3 ARG 23 1HD ARG 23 11.993 -12.432 -7.811
164 HE ARG 23 HE ARG 23 9.393 -12.233 -9.132
165 HH11 ARG 23 1HH2 ARG 23 11.335 -13.851 -6.777
166 HH12 ARG 23 2HH2 ARG 23 10.425 -15.323 -6.851
167 HH21 ARG 23 1HH1 ARG 23 8.202 -14.146 -9.237
168 HH22 ARG 23 2HH1 ARG 23 8.653 -15.490 -8.240
169 H GLY 24 H GLY 24 11.198 -7.567 -3.378
170 HA2 GLY 24 2HA GLY 24 13.067 -6.079 -3.249
171 HA3 GLY 24 1HA GLY 24 13.462 -6.469 -4.921
172 H SER 25 H SER 25 10.154 -5.723 -4.380
173 HA SER 25 HA SER 25 10.625 -2.949 -5.430
174 HB2 SER 25 2HB SER 25 8.153 -4.565 -5.978
175 HB3 SER 25 1HB SER 25 8.889 -3.300 -6.959
176 HG SER 25 HG SER 25 9.269 -5.381 -7.823
177 H CYS 26 H CYS 26 8.403 -1.660 -5.089
178 HA CYS 26 HA CYS 26 7.169 -2.344 -2.464
179 HB2 CYS 26 2HB CYS 26 9.195 -0.960 -2.074
180 HB3 CYS 26 1HB CYS 26 8.538 0.280 -3.141
181 H GLN 27 H GLN 27 5.145 -2.600 -3.542
182 HA GLN 27 HA GLN 27 4.099 -0.223 -5.027
183 HB2 GLN 27 2HB GLN 27 3.349 -3.155 -4.876
184 HB3 GLN 27 1HB GLN 27 2.368 -1.963 -5.729
185 HG2 GLN 27 2HG GLN 27 4.966 -1.478 -6.631
186 HG3 GLN 27 1HG GLN 27 4.853 -3.236 -6.560
187 HE21 GLN 27 1HE2 GLN 27 2.701 -0.508 -7.575
188 HE22 GLN 27 2HE2 GLN 27 2.171 -1.271 -8.996
189 H CYS 28 H CYS 28 1.545 -0.109 -4.668
190 HA CYS 28 HA CYS 28 0.939 -0.456 -1.755
191 HB2 CYS 28 2HB CYS 28 0.471 1.980 -3.506
192 HB3 CYS 28 1HB CYS 28 -0.029 1.831 -1.821
193 H ARG 29 H ARG 29 -1.301 -0.791 -1.309
194 HA ARG 29 HA ARG 29 -3.018 -1.289 -3.722
195 HB2 ARG 29 2HB ARG 29 -2.562 -2.803 -1.149
196 HB3 ARG 29 1HB ARG 29 -4.019 -3.062 -2.106
197 HG2 ARG 29 2HG ARG 29 -2.181 -3.230 -4.070
198 HG3 ARG 29 1HG ARG 29 -1.202 -3.793 -2.715
199 HD2 ARG 29 2HD ARG 29 -3.471 -5.207 -2.247
200 HD3 ARG 29 1HD ARG 29 -3.535 -5.092 -4.017
201 HE ARG 29 HE ARG 29 -0.871 -5.752 -3.048
202 HH11 ARG 29 1HH2 ARG 29 -4.008 -6.952 -3.856
203 HH12 ARG 29 2HH2 ARG 29 -3.445 -8.549 -4.214
204 HH21 ARG 29 1HH1 ARG 29 -0.127 -7.833 -3.512
205 HH22 ARG 29 2HH1 ARG 29 -1.252 -9.049 -4.019
206 H ARG 30 H ARG 30 -5.201 -0.619 -3.541
207 HA ARG 30 HA ARG 30 -5.752 1.313 -1.352
208 HB2 ARG 30 2HB ARG 30 -6.339 1.007 -4.152
209 HB3 ARG 30 1HB ARG 30 -7.855 1.135 -3.261
210 HG2 ARG 30 2HG ARG 30 -5.668 3.020 -2.515
211 HG3 ARG 30 1HG ARG 30 -6.498 3.307 -4.043
212 HD2 ARG 30 2HD ARG 30 -8.427 2.678 -1.970
213 HD3 ARG 30 1HD ARG 30 -7.413 4.052 -1.487
214 HE ARG 30 HE ARG 30 -9.322 4.064 -3.671
215 HH11 ARG 30 1HH2 ARG 30 -6.254 5.212 -2.571
216 HH12 ARG 30 2HH2 ARG 30 -6.289 6.633 -3.560
217 HH21 ARG 30 1HH1 ARG 30 -9.375 5.914 -4.963
218 HH22 ARG 30 2HH1 ARG 30 -8.052 7.030 -4.912
219 H THR 31 H THR 31 -8.181 1.277 -0.633
220 HA THR 31 HA THR 31 -8.728 -1.345 0.528
221 HB THR 31 HB THR 31 -10.703 -0.038 1.451
222 HG1 THR 31 1HG THR 31 -9.509 2.255 0.412
223 HG21 THR 31 3HG2 THR 31 -9.341 1.305 2.912
224 HG22 THR 31 1HG2 THR 31 -8.049 1.392 1.716
225 HG23 THR 31 2HG2 THR 31 -8.412 -0.140 2.513
226 H SER 32 H SER 32 -11.509 -1.487 0.437
227 HA SER 32 HA SER 32 -12.265 -1.556 -2.444
228 HB2 SER 32 2HB SER 32 -12.772 -3.917 -2.312
229 HB3 SER 32 1HB SER 32 -11.132 -3.701 -1.708
230 HG SER 32 HG SER 32 -13.512 -3.917 -0.166
231 H GLY 33 H GLY 33 -13.298 0.231 -0.569
232 HA2 GLY 33 2HA GLY 33 -15.889 0.507 -0.719
233 HA3 GLY 33 1HA GLY 33 -15.904 -0.958 0.264
Start of MODEL 8
1 H1 ALA 1 1HT ALA 1 14.816 -5.691 -0.924
2 H2 ALA 1 2HT ALA 1 16.495 -5.532 -0.721
3 H3 ALA 1 3HT ALA 1 15.526 -4.152 -0.925
4 HA ALA 1 HA ALA 1 15.196 -5.996 1.378
5 HB1 ALA 1 2HB ALA 1 17.089 -3.725 0.814
6 HB2 ALA 1 3HB ALA 1 17.419 -5.274 1.591
7 HB3 ALA 1 1HB ALA 1 16.544 -4.018 2.465
8 H CYS 2 H CYS 2 12.951 -5.113 0.198
9 HA CYS 2 HA CYS 2 12.210 -2.406 1.057
10 HB2 CYS 2 2HB CYS 2 11.383 -3.438 -1.020
11 HB3 CYS 2 1HB CYS 2 10.643 -4.738 -0.089
12 H ASN 3 H ASN 3 11.583 -1.988 3.138
13 HA ASN 3 HA ASN 3 10.896 -4.169 4.980
14 HB2 ASN 3 2HB ASN 3 11.426 -1.230 5.045
15 HB3 ASN 3 1HB ASN 3 10.488 -1.908 6.376
16 HD21 ASN 3 1HD2 ASN 3 13.114 -3.536 4.555
17 HD22 ASN 3 2HD2 ASN 3 14.141 -3.719 5.895
18 H ASP 4 H ASP 4 8.828 -4.659 5.710
19 HA ASP 4 HA ASP 4 6.536 -3.855 4.167
20 HB2 ASP 4 2HB ASP 4 6.717 -5.103 6.930
21 HB3 ASP 4 1HB ASP 4 5.347 -5.208 5.825
22 H ARG 5 H ARG 5 7.964 -2.685 7.178
23 HA ARG 5 HA ARG 5 5.683 -1.045 7.951
24 HB2 ARG 5 2HB ARG 5 8.244 -1.884 8.945
25 HB3 ARG 5 1HB ARG 5 8.142 -0.128 9.072
26 HG2 ARG 5 2HG ARG 5 5.957 -0.348 10.219
27 HG3 ARG 5 1HG ARG 5 6.097 -2.105 10.126
28 HD2 ARG 5 2HD ARG 5 6.985 -1.750 12.251
29 HD3 ARG 5 1HD ARG 5 8.466 -1.584 11.288
30 HE ARG 5 HE ARG 5 6.964 0.908 11.498
31 HH11 ARG 5 1HH2 ARG 5 9.276 -1.197 12.965
32 HH12 ARG 5 2HH2 ARG 5 10.045 0.065 13.867
33 HH21 ARG 5 1HH1 ARG 5 7.959 2.561 12.670
34 HH22 ARG 5 2HH1 ARG 5 9.301 2.190 13.699
35 H ASP 6 H ASP 6 8.799 -0.444 6.320
36 HA ASP 6 HA ASP 6 8.283 2.419 6.003
37 HB2 ASP 6 2HB ASP 6 10.495 0.955 6.155
38 HB3 ASP 6 1HB ASP 6 10.285 0.859 4.406
39 H CYS 7 H CYS 7 7.621 -0.488 4.187
40 HA CYS 7 HA CYS 7 7.252 0.845 1.612
41 HB2 CYS 7 2HB CYS 7 7.923 -1.529 1.911
42 HB3 CYS 7 1HB CYS 7 6.363 -1.862 2.663
43 H SER 8 H SER 8 5.148 -0.262 4.263
44 HA SER 8 HA SER 8 2.665 0.399 2.896
45 HB2 SER 8 2HB SER 8 2.907 -1.297 4.689
46 HB3 SER 8 1HB SER 8 3.346 -0.025 5.826
47 HG SER 8 HG SER 8 1.319 0.710 5.805
48 H LEU 9 H LEU 9 4.683 2.003 5.367
49 HA LEU 9 HA LEU 9 3.046 4.208 5.985
50 HB2 LEU 9 2HB LEU 9 6.040 3.850 5.704
51 HB3 LEU 9 1HB LEU 9 5.320 5.308 6.383
52 HG LEU 9 HG LEU 9 4.636 2.557 7.425
53 HD11 LEU 9 1HD1 LEU 9 6.464 2.524 8.803
54 HD12 LEU 9 2HD1 LEU 9 6.519 4.282 8.941
55 HD13 LEU 9 3HD1 LEU 9 7.177 3.489 7.511
56 HD21 LEU 9 3HD2 LEU 9 4.250 5.409 8.312
57 HD22 LEU 9 1HD2 LEU 9 4.254 4.105 9.499
58 HD23 LEU 9 2HD2 LEU 9 3.058 4.114 8.203
59 H ASP 10 H ASP 10 5.448 3.913 3.343
60 HA ASP 10 HA ASP 10 5.064 6.523 2.243
61 HB2 ASP 10 2HB ASP 10 6.074 3.853 1.290
62 HB3 ASP 10 1HB ASP 10 5.926 5.186 0.144
63 H CYS 11 H CYS 11 3.433 3.420 1.608
64 HA CYS 11 HA CYS 11 1.842 4.319 -0.614
65 HB2 CYS 11 2HB CYS 11 1.523 2.136 1.468
66 HB3 CYS 11 1HB CYS 11 0.493 2.279 0.045
67 H ILE 12 H ILE 12 1.279 4.262 2.904
68 HA ILE 12 HA ILE 12 -1.463 5.078 2.860
69 HB ILE 12 HB ILE 12 0.822 5.305 4.827
70 HG12 ILE 12 2HG1 ILE 12 -1.665 3.576 4.641
71 HG13 ILE 12 1HG1 ILE 12 0.001 3.047 4.400
72 HG21 ILE 12 1HG2 ILE 12 -1.701 6.716 4.851
73 HG22 ILE 12 2HG2 ILE 12 -0.377 6.797 6.014
74 HG23 ILE 12 3HG2 ILE 12 -1.635 5.572 6.191
75 HD11 ILE 12 3HD1 ILE 12 0.492 3.776 6.763
76 HD12 ILE 12 1HD1 ILE 12 -0.645 2.431 6.647
77 HD13 ILE 12 2HD1 ILE 12 -1.237 4.062 6.973
78 H MET 13 H MET 13 1.567 6.909 2.721
79 HA MET 13 HA MET 13 0.379 9.515 3.143
80 HB2 MET 13 2HB MET 13 2.905 8.378 2.973
81 HB3 MET 13 1HB MET 13 2.819 9.374 1.521
82 HG2 MET 13 2HG MET 13 3.647 10.836 3.198
83 HG3 MET 13 1HG MET 13 1.935 11.238 3.060
84 HE1 MET 13 3HE MET 13 0.573 11.267 6.087
85 HE2 MET 13 1HE MET 13 0.040 9.757 5.337
86 HE3 MET 13 2HE MET 13 0.408 11.159 4.337
87 H LYS 14 H LYS 14 1.201 7.614 0.241
88 HA LYS 14 HA LYS 14 0.662 9.589 -1.729
89 HB2 LYS 14 2HB LYS 14 0.095 6.616 -1.898
90 HB3 LYS 14 1HB LYS 14 0.573 7.691 -3.212
91 HG2 LYS 14 2HG LYS 14 2.570 8.026 -1.285
92 HG3 LYS 14 1HG LYS 14 2.244 6.293 -1.282
93 HD2 LYS 14 2HD LYS 14 2.333 7.425 -3.981
94 HD3 LYS 14 1HD LYS 14 3.852 7.617 -3.108
95 HE2 LYS 14 2HE LYS 14 2.348 4.992 -3.427
96 HE3 LYS 14 1HE LYS 14 3.817 5.452 -4.313
97 HZ1 LYS 14 3HZ LYS 14 4.818 4.495 -2.541
98 HZ2 LYS 14 1HZ LYS 14 3.495 4.737 -1.508
99 HZ3 LYS 14 2HZ LYS 14 4.561 6.019 -1.834
100 H GLY 15 H GLY 15 -1.485 7.985 0.426
101 HA2 GLY 15 2HA GLY 15 -3.783 8.863 0.620
102 HA3 GLY 15 1HA GLY 15 -3.803 9.042 -1.136
103 H TYR 16 H TYR 16 -2.266 6.181 -0.153
104 HA TYR 16 HA TYR 16 -4.580 4.586 -1.108
105 HB2 TYR 16 2HB TYR 16 -1.630 4.178 -0.655
106 HB3 TYR 16 1HB TYR 16 -2.689 2.784 -0.870
107 HD1 TYR 16 2HD TYR 16 -2.547 6.203 -2.420
108 HD2 TYR 16 1HD TYR 16 -2.547 1.953 -3.040
109 HE1 TYR 16 2HE TYR 16 -2.523 6.561 -4.875
110 HE2 TYR 16 1HE TYR 16 -2.523 2.310 -5.494
111 HH TYR 16 HH TYR 16 -2.804 5.555 -6.880
112 H ASN 17 H ASN 17 -4.143 2.199 0.231
113 HA ASN 17 HA ASN 17 -4.798 2.925 3.067
114 HB2 ASN 17 2HB ASN 17 -6.293 1.637 1.158
115 HB3 ASN 17 1HB ASN 17 -5.547 0.274 1.994
116 HD21 ASN 17 1HD2 ASN 17 -8.132 2.494 2.151
117 HD22 ASN 17 2HD2 ASN 17 -8.569 2.237 3.771
118 H PHE 18 H PHE 18 -3.607 0.070 1.256
119 HA PHE 18 HA PHE 18 -1.429 -0.209 3.291
120 HB2 PHE 18 2HB PHE 18 -1.946 -2.765 2.864
121 HB3 PHE 18 1HB PHE 18 -2.941 -1.849 3.995
122 HD1 PHE 18 2HD PHE 18 -2.761 -2.599 0.316
123 HD2 PHE 18 1HD PHE 18 -5.251 -1.973 3.759
124 HE1 PHE 18 2HE PHE 18 -4.772 -3.095 -1.049
125 HE2 PHE 18 1HE PHE 18 -7.262 -2.469 2.395
126 HZ PHE 18 HZ PHE 18 -7.023 -3.030 -0.008
127 H GLY 19 H GLY 19 0.427 -1.472 2.462
128 HA2 GLY 19 2HA GLY 19 0.510 -1.712 -0.509
129 HA3 GLY 19 1HA GLY 19 1.772 -0.801 0.320
130 H LYS 20 H LYS 20 2.674 -2.875 -1.119
131 HA LYS 20 HA LYS 20 3.641 -4.749 0.961
132 HB2 LYS 20 2HB LYS 20 1.426 -5.515 -0.181
133 HB3 LYS 20 1HB LYS 20 2.438 -5.818 -1.593
134 HG2 LYS 20 2HG LYS 20 3.787 -7.400 -0.399
135 HG3 LYS 20 1HG LYS 20 3.075 -6.936 1.147
136 HD2 LYS 20 2HD LYS 20 1.976 -8.959 0.559
137 HD3 LYS 20 1HD LYS 20 0.827 -7.685 0.144
138 HE2 LYS 20 2HE LYS 20 1.983 -7.770 -2.216
139 HE3 LYS 20 1HE LYS 20 2.503 -9.384 -1.692
140 HZ1 LYS 20 3HZ LYS 20 -0.190 -8.373 -2.185
141 HZ2 LYS 20 1HZ LYS 20 -0.004 -9.426 -0.869
142 HZ3 LYS 20 2HZ LYS 20 0.445 -9.931 -2.428
143 H CYS 21 H CYS 21 5.694 -5.588 0.410
144 HA CYS 21 HA CYS 21 7.078 -4.258 -1.818
145 HB2 CYS 21 2HB CYS 21 7.956 -6.282 0.266
146 HB3 CYS 21 1HB CYS 21 9.038 -5.376 -0.790
147 H VAL 22 H VAL 22 8.159 -5.424 -3.528
148 HA VAL 22 HA VAL 22 7.511 -8.302 -3.873
149 HB VAL 22 HB VAL 22 6.701 -6.095 -5.798
150 HG11 VAL 22 1HG1 VAL 22 5.457 -8.558 -6.409
151 HG12 VAL 22 2HG1 VAL 22 7.164 -8.924 -6.154
152 HG13 VAL 22 3HG1 VAL 22 6.690 -7.722 -7.354
153 HG21 VAL 22 3HG2 VAL 22 5.229 -6.177 -3.853
154 HG22 VAL 22 1HG2 VAL 22 5.087 -7.928 -3.996
155 HG23 VAL 22 2HG2 VAL 22 4.391 -6.882 -5.235
156 H ARG 23 H ARG 23 9.013 -9.340 -5.231
157 HA ARG 23 HA ARG 23 11.220 -9.603 -6.083
158 HB2 ARG 23 2HB ARG 23 11.328 -8.539 -8.260
159 HB3 ARG 23 1HB ARG 23 9.648 -8.972 -7.949
160 HG2 ARG 23 2HG ARG 23 9.017 -6.751 -7.536
161 HG3 ARG 23 1HG ARG 23 10.670 -6.244 -7.189
162 HD2 ARG 23 2HD ARG 23 11.219 -6.742 -9.629
163 HD3 ARG 23 1HD ARG 23 9.471 -6.900 -9.895
164 HE ARG 23 HE ARG 23 9.647 -4.524 -8.531
165 HH11 ARG 23 1HH2 ARG 23 11.265 -5.852 -11.280
166 HH12 ARG 23 2HH2 ARG 23 11.522 -4.315 -12.033
167 HH21 ARG 23 1HH1 ARG 23 9.976 -2.514 -9.506
168 HH22 ARG 23 2HH1 ARG 23 10.793 -2.428 -11.031
169 H GLY 24 H GLY 24 11.075 -7.713 -3.802
170 HA2 GLY 24 2HA GLY 24 12.733 -6.403 -2.732
171 HA3 GLY 24 1HA GLY 24 13.655 -6.405 -4.235
172 H SER 25 H SER 25 10.279 -5.400 -3.865
173 HA SER 25 HA SER 25 11.110 -2.566 -4.337
174 HB2 SER 25 2HB SER 25 10.506 -3.926 -6.432
175 HB3 SER 25 1HB SER 25 8.861 -3.963 -5.803
176 HG SER 25 HG SER 25 9.719 -2.133 -7.274
177 H CYS 26 H CYS 26 8.652 -1.389 -4.469
178 HA CYS 26 HA CYS 26 7.085 -2.377 -2.123
179 HB2 CYS 26 2HB CYS 26 8.784 -0.773 -1.341
180 HB3 CYS 26 1HB CYS 26 8.230 0.407 -2.529
181 H GLN 27 H GLN 27 4.986 -2.478 -2.814
182 HA GLN 27 HA GLN 27 4.057 -0.457 -4.832
183 HB2 GLN 27 2HB GLN 27 3.423 -3.379 -4.358
184 HB3 GLN 27 1HB GLN 27 2.416 -2.356 -5.384
185 HG2 GLN 27 2HG GLN 27 4.570 -1.745 -6.631
186 HG3 GLN 27 1HG GLN 27 5.322 -3.087 -5.770
187 HE21 GLN 27 1HE2 GLN 27 2.092 -2.681 -7.344
188 HE22 GLN 27 2HE2 GLN 27 2.215 -4.088 -8.285
189 H CYS 28 H CYS 28 1.657 -0.003 -4.646
190 HA CYS 28 HA CYS 28 0.700 -0.220 -1.810
191 HB2 CYS 28 2HB CYS 28 0.312 2.130 -3.682
192 HB3 CYS 28 1HB CYS 28 0.014 2.082 -1.945
193 H ARG 29 H ARG 29 -1.581 -0.489 -1.588
194 HA ARG 29 HA ARG 29 -3.096 -0.894 -4.147
195 HB2 ARG 29 2HB ARG 29 -3.066 -2.557 -1.608
196 HB3 ARG 29 1HB ARG 29 -4.140 -2.843 -2.978
197 HG2 ARG 29 2HG ARG 29 -1.289 -2.596 -3.694
198 HG3 ARG 29 1HG ARG 29 -1.672 -3.998 -2.694
199 HD2 ARG 29 2HD ARG 29 -3.432 -3.373 -5.053
200 HD3 ARG 29 1HD ARG 29 -1.884 -4.202 -5.312
201 HE ARG 29 HE ARG 29 -4.209 -5.378 -4.068
202 HH11 ARG 29 1HH2 ARG 29 -0.764 -5.151 -3.928
203 HH12 ARG 29 2HH2 ARG 29 -0.563 -6.713 -3.207
204 HH21 ARG 29 1HH1 ARG 29 -3.957 -7.415 -3.130
205 HH22 ARG 29 2HH1 ARG 29 -2.366 -7.993 -2.756
206 H ARG 30 H ARG 30 -5.529 -0.847 -3.722
207 HA ARG 30 HA ARG 30 -6.155 1.169 -1.589
208 HB2 ARG 30 2HB ARG 30 -7.490 0.645 -4.266
209 HB3 ARG 30 1HB ARG 30 -7.859 1.971 -3.162
210 HG2 ARG 30 2HG ARG 30 -5.604 2.874 -3.434
211 HG3 ARG 30 1HG ARG 30 -5.160 1.512 -4.465
212 HD2 ARG 30 2HD ARG 30 -7.600 2.859 -5.384
213 HD3 ARG 30 1HD ARG 30 -6.179 3.922 -5.383
214 HE ARG 30 HE ARG 30 -5.389 1.389 -6.416
215 HH11 ARG 30 1HH2 ARG 30 -7.382 4.108 -7.169
216 HH12 ARG 30 2HH2 ARG 30 -7.214 3.917 -8.882
217 HH21 ARG 30 1HH1 ARG 30 -5.164 1.134 -8.649
218 HH22 ARG 30 2HH1 ARG 30 -5.963 2.237 -9.719
219 H THR 31 H THR 31 -8.759 1.056 -1.287
220 HA THR 31 HA THR 31 -9.392 -1.820 -0.711
221 HB THR 31 HB THR 31 -11.007 -0.089 0.830
222 HG1 THR 31 1HG THR 31 -8.366 0.681 1.262
223 HG21 THR 31 3HG2 THR 31 -9.194 -0.858 2.609
224 HG22 THR 31 1HG2 THR 31 -8.666 -1.892 1.280
225 HG23 THR 31 2HG2 THR 31 -10.314 -2.019 1.896
226 H SER 32 H SER 32 -11.722 -2.371 -0.868
227 HA SER 32 HA SER 32 -13.341 -0.529 -2.573
228 HB2 SER 32 2HB SER 32 -12.109 -3.123 -3.252
229 HB3 SER 32 1HB SER 32 -13.817 -3.007 -3.669
230 HG SER 32 HG SER 32 -13.391 -1.361 -5.007
231 H GLY 33 H GLY 33 -13.363 -3.744 -0.975
232 HA2 GLY 33 2HA GLY 33 -15.604 -3.060 0.707
233 HA3 GLY 33 1HA GLY 33 -16.131 -4.041 -0.660
Start of MODEL 9
1 H1 ALA 1 1HT ALA 1 15.353 -5.383 1.573
2 H2 ALA 1 2HT ALA 1 16.911 -4.703 1.615
3 H3 ALA 1 3HT ALA 1 16.622 -6.114 0.714
4 HA ALA 1 HA ALA 1 16.765 -3.847 -0.515
5 HB1 ALA 1 2HB ALA 1 14.875 -6.170 -0.763
6 HB2 ALA 1 3HB ALA 1 16.294 -5.784 -1.738
7 HB3 ALA 1 1HB ALA 1 14.803 -4.870 -1.952
8 H CYS 2 H CYS 2 13.362 -4.681 -0.392
9 HA CYS 2 HA CYS 2 12.740 -1.845 0.284
10 HB2 CYS 2 2HB CYS 2 10.664 -2.287 -0.847
11 HB3 CYS 2 1HB CYS 2 11.928 -3.044 -1.816
12 H ASN 3 H ASN 3 11.474 -1.339 2.092
13 HA ASN 3 HA ASN 3 11.051 -3.548 4.050
14 HB2 ASN 3 2HB ASN 3 11.414 -0.569 4.114
15 HB3 ASN 3 1HB ASN 3 10.610 -1.355 5.471
16 HD21 ASN 3 1HD2 ASN 3 11.990 -3.716 5.799
17 HD22 ASN 3 2HD2 ASN 3 13.634 -3.418 6.101
18 H ASP 4 H ASP 4 8.990 -4.277 4.419
19 HA ASP 4 HA ASP 4 6.714 -3.275 2.976
20 HB2 ASP 4 2HB ASP 4 7.458 -5.473 4.601
21 HB3 ASP 4 1HB ASP 4 6.031 -4.762 5.358
22 H ARG 5 H ARG 5 7.631 -3.022 6.436
23 HA ARG 5 HA ARG 5 5.411 -1.410 7.243
24 HB2 ARG 5 2HB ARG 5 7.300 -2.706 8.538
25 HB3 ARG 5 1HB ARG 5 8.171 -1.177 8.421
26 HG2 ARG 5 2HG ARG 5 6.576 -0.022 9.699
27 HG3 ARG 5 1HG ARG 5 5.326 -1.233 9.403
28 HD2 ARG 5 2HD ARG 5 7.223 -2.758 10.657
29 HD3 ARG 5 1HD ARG 5 7.445 -1.195 11.467
30 HE ARG 5 HE ARG 5 5.259 -1.391 12.363
31 HH11 ARG 5 1HH2 ARG 5 5.826 -3.638 9.799
32 HH12 ARG 5 2HH2 ARG 5 4.344 -4.497 10.053
33 HH21 ARG 5 1HH1 ARG 5 3.327 -2.505 12.700
34 HH22 ARG 5 2HH1 ARG 5 2.932 -3.858 11.692
35 H ASP 6 H ASP 6 8.577 -0.590 5.868
36 HA ASP 6 HA ASP 6 8.199 2.298 6.174
37 HB2 ASP 6 2HB ASP 6 10.315 0.602 5.866
38 HB3 ASP 6 1HB ASP 6 10.136 1.196 4.216
39 H CYS 7 H CYS 7 7.356 -0.144 3.856
40 HA CYS 7 HA CYS 7 7.046 1.666 1.574
41 HB2 CYS 7 2HB CYS 7 7.582 -0.624 1.155
42 HB3 CYS 7 1HB CYS 7 6.307 -1.192 2.233
43 H SER 8 H SER 8 4.853 -0.024 3.841
44 HA SER 8 HA SER 8 2.415 1.058 2.746
45 HB2 SER 8 2HB SER 8 3.355 -0.532 5.034
46 HB3 SER 8 1HB SER 8 1.939 0.448 5.404
47 HG SER 8 HG SER 8 2.279 -1.489 3.364
48 H LEU 9 H LEU 9 4.458 2.023 5.521
49 HA LEU 9 HA LEU 9 2.894 4.133 6.543
50 HB2 LEU 9 2HB LEU 9 5.713 3.264 6.502
51 HB3 LEU 9 1HB LEU 9 5.501 4.989 6.802
52 HG LEU 9 HG LEU 9 3.555 3.480 8.311
53 HD11 LEU 9 1HD1 LEU 9 5.472 2.595 9.891
54 HD12 LEU 9 2HD1 LEU 9 6.413 2.572 8.400
55 HD13 LEU 9 3HD1 LEU 9 4.936 1.617 8.524
56 HD21 LEU 9 3HD2 LEU 9 3.959 5.518 9.270
57 HD22 LEU 9 1HD2 LEU 9 5.622 5.573 8.685
58 HD23 LEU 9 2HD2 LEU 9 5.224 4.636 10.126
59 H ASP 10 H ASP 10 5.286 4.196 3.891
60 HA ASP 10 HA ASP 10 4.966 7.032 3.355
61 HB2 ASP 10 2HB ASP 10 6.957 5.558 2.857
62 HB3 ASP 10 1HB ASP 10 6.005 4.806 1.577
63 H CYS 11 H CYS 11 3.714 4.049 1.834
64 HA CYS 11 HA CYS 11 2.275 5.354 -0.282
65 HB2 CYS 11 2HB CYS 11 2.773 2.736 0.756
66 HB3 CYS 11 1HB CYS 11 1.033 2.904 0.522
67 H ILE 12 H ILE 12 1.315 4.335 3.004
68 HA ILE 12 HA ILE 12 -1.473 4.940 2.762
69 HB ILE 12 HB ILE 12 0.491 4.858 5.068
70 HG12 ILE 12 2HG1 ILE 12 -1.752 2.928 4.674
71 HG13 ILE 12 1HG1 ILE 12 -0.391 2.821 3.555
72 HG21 ILE 12 1HG2 ILE 12 -1.237 6.230 5.915
73 HG22 ILE 12 2HG2 ILE 12 -1.704 4.608 6.423
74 HG23 ILE 12 3HG2 ILE 12 -2.485 5.355 5.030
75 HD11 ILE 12 3HD1 ILE 12 1.042 2.970 5.768
76 HD12 ILE 12 1HD1 ILE 12 0.344 1.430 5.268
77 HD13 ILE 12 2HD1 ILE 12 -0.443 2.388 6.523
78 H MET 13 H MET 13 1.256 6.914 3.990
79 HA MET 13 HA MET 13 -0.295 9.254 4.581
80 HB2 MET 13 2HB MET 13 2.507 8.404 4.346
81 HB3 MET 13 1HB MET 13 2.264 10.100 3.927
82 HG2 MET 13 2HG MET 13 2.197 10.565 6.129
83 HG3 MET 13 1HG MET 13 0.687 9.659 6.219
84 HE1 MET 13 3HE MET 13 3.163 10.345 8.097
85 HE2 MET 13 1HE MET 13 4.523 9.679 7.182
86 HE3 MET 13 2HE MET 13 4.044 8.948 8.713
87 H LYS 14 H LYS 14 1.004 7.952 1.603
88 HA LYS 14 HA LYS 14 0.880 10.403 0.053
89 HB2 LYS 14 2HB LYS 14 1.177 7.453 -0.422
90 HB3 LYS 14 1HB LYS 14 0.855 8.506 -1.800
91 HG2 LYS 14 2HG LYS 14 2.798 9.948 -0.665
92 HG3 LYS 14 1HG LYS 14 3.263 8.366 -0.042
93 HD2 LYS 14 2HD LYS 14 3.820 7.561 -2.114
94 HD3 LYS 14 1HD LYS 14 2.559 8.488 -2.927
95 HE2 LYS 14 2HE LYS 14 4.402 10.369 -1.827
96 HE3 LYS 14 1HE LYS 14 5.341 9.139 -2.697
97 HZ1 LYS 14 3HZ LYS 14 3.349 9.392 -4.378
98 HZ2 LYS 14 1HZ LYS 14 4.698 10.418 -4.453
99 HZ3 LYS 14 2HZ LYS 14 3.269 10.949 -3.701
100 H GLY 15 H GLY 15 -1.346 7.695 0.652
101 HA2 GLY 15 2HA GLY 15 -3.770 8.822 0.562
102 HA3 GLY 15 1HA GLY 15 -3.361 8.896 -1.153
103 H TYR 16 H TYR 16 -1.757 6.261 -0.472
104 HA TYR 16 HA TYR 16 -3.809 4.457 -1.455
105 HB2 TYR 16 2HB TYR 16 -1.030 4.001 -0.318
106 HB3 TYR 16 1HB TYR 16 -1.955 2.826 -1.250
107 HD1 TYR 16 2HD TYR 16 -0.135 6.032 -1.379
108 HD2 TYR 16 1HD TYR 16 -2.286 3.085 -3.646
109 HE1 TYR 16 2HE TYR 16 0.694 7.047 -3.484
110 HE2 TYR 16 1HE TYR 16 -1.456 4.101 -5.753
111 HH TYR 16 HH TYR 16 -0.150 7.123 -5.943
112 H ASN 17 H ASN 17 -3.519 2.130 -0.051
113 HA ASN 17 HA ASN 17 -4.267 2.808 2.773
114 HB2 ASN 17 2HB ASN 17 -5.811 1.642 0.584
115 HB3 ASN 17 1HB ASN 17 -5.795 0.599 2.006
116 HD21 ASN 17 1HD2 ASN 17 -6.322 4.059 1.125
117 HD22 ASN 17 2HD2 ASN 17 -7.486 4.339 2.329
118 H PHE 18 H PHE 18 -3.555 0.040 0.594
119 HA PHE 18 HA PHE 18 -1.675 -0.994 2.671
120 HB2 PHE 18 2HB PHE 18 -2.766 -3.288 2.122
121 HB3 PHE 18 1HB PHE 18 -3.653 -2.189 3.175
122 HD1 PHE 18 2HD PHE 18 -3.384 -3.478 -0.295
123 HD2 PHE 18 1HD PHE 18 -5.733 -1.209 2.494
124 HE1 PHE 18 2HE PHE 18 -5.286 -3.490 -1.887
125 HE2 PHE 18 1HE PHE 18 -7.635 -1.221 0.903
126 HZ PHE 18 HZ PHE 18 -7.411 -2.361 -1.288
127 H GLY 19 H GLY 19 -0.038 -2.391 1.790
128 HA2 GLY 19 2HA GLY 19 -0.020 -2.823 -1.135
129 HA3 GLY 19 1HA GLY 19 1.281 -1.831 -0.475
130 H LYS 20 H LYS 20 2.864 -3.425 -1.067
131 HA LYS 20 HA LYS 20 3.417 -5.389 0.983
132 HB2 LYS 20 2HB LYS 20 2.994 -7.391 -0.376
133 HB3 LYS 20 1HB LYS 20 1.512 -6.443 -0.237
134 HG2 LYS 20 2HG LYS 20 2.866 -5.406 -2.481
135 HG3 LYS 20 1HG LYS 20 2.989 -7.160 -2.620
136 HD2 LYS 20 2HD LYS 20 0.356 -6.689 -1.777
137 HD3 LYS 20 1HD LYS 20 0.671 -5.454 -2.996
138 HE2 LYS 20 2HE LYS 20 1.607 -7.339 -4.465
139 HE3 LYS 20 1HE LYS 20 0.865 -8.461 -3.306
140 HZ1 LYS 20 3HZ LYS 20 -0.718 -7.941 -5.031
141 HZ2 LYS 20 1HZ LYS 20 -0.514 -6.277 -4.775
142 HZ3 LYS 20 2HZ LYS 20 -1.233 -7.237 -3.571
143 H CYS 21 H CYS 21 5.545 -6.248 0.714
144 HA CYS 21 HA CYS 21 7.200 -4.833 -1.290
145 HB2 CYS 21 2HB CYS 21 7.448 -5.898 1.362
146 HB3 CYS 21 1HB CYS 21 8.671 -6.654 0.342
147 H VAL 22 H VAL 22 7.884 -5.814 -3.157
148 HA VAL 22 HA VAL 22 7.508 -8.776 -3.405
149 HB VAL 22 HB VAL 22 7.648 -6.573 -5.489
150 HG11 VAL 22 1HG1 VAL 22 6.846 -8.306 -7.033
151 HG12 VAL 22 2HG1 VAL 22 6.854 -9.492 -5.728
152 HG13 VAL 22 3HG1 VAL 22 8.372 -8.803 -6.303
153 HG21 VAL 22 3HG2 VAL 22 5.194 -7.048 -5.702
154 HG22 VAL 22 1HG2 VAL 22 5.633 -6.363 -4.138
155 HG23 VAL 22 2HG2 VAL 22 5.313 -8.091 -4.284
156 H ARG 23 H ARG 23 9.595 -9.410 -2.633
157 HA ARG 23 HA ARG 23 11.889 -9.918 -2.889
158 HB2 ARG 23 2HB ARG 23 10.764 -9.293 -5.535
159 HB3 ARG 23 1HB ARG 23 12.512 -9.074 -5.445
160 HG2 ARG 23 2HG ARG 23 12.911 -11.310 -4.985
161 HG3 ARG 23 1HG ARG 23 11.325 -11.550 -4.253
162 HD2 ARG 23 2HD ARG 23 10.407 -11.088 -6.664
163 HD3 ARG 23 1HD ARG 23 12.058 -11.495 -7.173
164 HE ARG 23 HE ARG 23 10.122 -13.368 -6.076
165 HH11 ARG 23 1HH2 ARG 23 13.460 -12.514 -6.323
166 HH12 ARG 23 2HH2 ARG 23 14.023 -14.133 -6.079
167 HH21 ARG 23 1HH1 ARG 23 10.847 -15.481 -5.756
168 HH22 ARG 23 2HH1 ARG 23 12.548 -15.810 -5.758
169 H GLY 24 H GLY 24 12.117 -7.267 -5.179
170 HA2 GLY 24 2HA GLY 24 13.574 -5.686 -3.097
171 HA3 GLY 24 1HA GLY 24 14.099 -5.760 -4.778
172 H SER 25 H SER 25 10.694 -5.607 -4.074
173 HA SER 25 HA SER 25 10.628 -2.668 -4.521
174 HB2 SER 25 2HB SER 25 10.261 -4.667 -6.532
175 HB3 SER 25 1HB SER 25 8.700 -3.906 -6.240
176 HG SER 25 HG SER 25 10.046 -2.814 -7.803
177 H CYS 26 H CYS 26 8.015 -2.183 -4.733
178 HA CYS 26 HA CYS 26 6.508 -3.895 -2.833
179 HB2 CYS 26 2HB CYS 26 7.932 -2.103 -1.649
180 HB3 CYS 26 1HB CYS 26 6.832 -0.926 -2.367
181 H GLN 27 H GLN 27 4.227 -3.568 -2.989
182 HA GLN 27 HA GLN 27 3.372 -1.883 -5.321
183 HB2 GLN 27 2HB GLN 27 2.218 -4.404 -4.079
184 HB3 GLN 27 1HB GLN 27 1.519 -3.554 -5.457
185 HG2 GLN 27 2HG GLN 27 3.936 -3.809 -6.471
186 HG3 GLN 27 1HG GLN 27 4.076 -5.120 -5.299
187 HE21 GLN 27 1HE2 GLN 27 1.160 -5.784 -5.454
188 HE22 GLN 27 2HE2 GLN 27 0.945 -6.561 -6.948
189 H CYS 28 H CYS 28 0.907 -1.278 -5.023
190 HA CYS 28 HA CYS 28 0.121 -0.815 -2.212
191 HB2 CYS 28 2HB CYS 28 1.171 1.252 -4.117
192 HB3 CYS 28 1HB CYS 28 -0.063 1.720 -2.947
193 H ARG 29 H ARG 29 -2.115 -0.571 -2.043
194 HA ARG 29 HA ARG 29 -3.660 -0.196 -4.584
195 HB2 ARG 29 2HB ARG 29 -3.764 -2.352 -2.487
196 HB3 ARG 29 1HB ARG 29 -5.210 -1.967 -3.420
197 HG2 ARG 29 2HG ARG 29 -2.757 -2.246 -5.033
198 HG3 ARG 29 1HG ARG 29 -3.276 -3.729 -4.233
199 HD2 ARG 29 2HD ARG 29 -5.556 -2.332 -5.381
200 HD3 ARG 29 1HD ARG 29 -4.331 -2.688 -6.616
201 HE ARG 29 HE ARG 29 -4.507 -5.000 -5.033
202 HH11 ARG 29 1HH2 ARG 29 -6.570 -3.056 -7.008
203 HH12 ARG 29 2HH2 ARG 29 -7.585 -4.379 -7.474
204 HH21 ARG 29 1HH1 ARG 29 -5.825 -6.732 -5.635
205 HH22 ARG 29 2HH1 ARG 29 -7.165 -6.457 -6.699
206 H ARG 30 H ARG 30 -5.416 1.180 -4.344
207 HA ARG 30 HA ARG 30 -5.841 2.362 -1.639
208 HB2 ARG 30 2HB ARG 30 -6.779 3.232 -4.393
209 HB3 ARG 30 1HB ARG 30 -6.816 4.201 -2.920
210 HG2 ARG 30 2HG ARG 30 -4.781 4.960 -3.550
211 HG3 ARG 30 1HG ARG 30 -4.175 3.378 -3.055
212 HD2 ARG 30 2HD ARG 30 -3.476 3.941 -5.383
213 HD3 ARG 30 1HD ARG 30 -4.542 2.523 -5.357
214 HE ARG 30 HE ARG 30 -6.194 3.816 -6.441
215 HH11 ARG 30 1HH2 ARG 30 -3.777 5.794 -4.967
216 HH12 ARG 30 2HH2 ARG 30 -4.401 7.270 -5.623
217 HH21 ARG 30 1HH1 ARG 30 -7.017 5.734 -7.301
218 HH22 ARG 30 2HH1 ARG 30 -6.234 7.237 -6.943
219 H THR 31 H THR 31 -8.255 3.069 -1.319
220 HA THR 31 HA THR 31 -9.939 0.648 -1.723
221 HB THR 31 HB THR 31 -11.188 1.537 0.134
222 HG1 THR 31 1HG THR 31 -11.383 3.600 0.341
223 HG21 THR 31 3HG2 THR 31 -8.918 0.613 0.644
224 HG22 THR 31 1HG2 THR 31 -9.464 1.807 1.823
225 HG23 THR 31 2HG2 THR 31 -8.283 2.259 0.593
226 H SER 32 H SER 32 -11.803 0.712 -2.977
227 HA SER 32 HA SER 32 -12.404 3.304 -4.360
228 HB2 SER 32 2HB SER 32 -13.157 0.516 -5.248
229 HB3 SER 32 1HB SER 32 -13.018 1.969 -6.232
230 HG SER 32 HG SER 32 -10.728 1.922 -5.544
231 H GLY 33 H GLY 33 -13.469 2.280 -1.701
232 HA2 GLY 33 2HA GLY 33 -15.976 3.250 -1.535
233 HA3 GLY 33 1HA GLY 33 -16.299 1.705 -2.322
Start of MODEL 10
1 H1 ALA 1 1HT ALA 1 16.828 -3.654 0.746
2 H2 ALA 1 2HT ALA 1 17.324 -5.259 1.005
3 H3 ALA 1 3HT ALA 1 16.364 -4.467 2.160
4 HA ALA 1 HA ALA 1 15.509 -5.211 -0.594
5 HB1 ALA 1 2HB ALA 1 15.904 -6.804 1.574
6 HB2 ALA 1 3HB ALA 1 14.642 -7.100 0.380
7 HB3 ALA 1 1HB ALA 1 14.255 -6.263 1.884
8 H CYS 2 H CYS 2 12.813 -5.455 0.211
9 HA CYS 2 HA CYS 2 12.092 -2.584 0.539
10 HB2 CYS 2 2HB CYS 2 11.223 -3.798 -1.392
11 HB3 CYS 2 1HB CYS 2 10.581 -5.065 -0.345
12 H ASN 3 H ASN 3 11.609 -1.962 2.611
13 HA ASN 3 HA ASN 3 10.846 -3.932 4.653
14 HB2 ASN 3 2HB ASN 3 11.433 -0.984 4.497
15 HB3 ASN 3 1HB ASN 3 10.710 -1.658 5.957
16 HD21 ASN 3 1HD2 ASN 3 11.950 -3.927 6.542
17 HD22 ASN 3 2HD2 ASN 3 13.642 -3.781 6.574
18 H ASP 4 H ASP 4 8.730 -4.596 4.742
19 HA ASP 4 HA ASP 4 6.519 -3.344 3.478
20 HB2 ASP 4 2HB ASP 4 6.989 -5.365 5.631
21 HB3 ASP 4 1HB ASP 4 5.347 -4.751 5.430
22 H ARG 5 H ARG 5 8.120 -2.608 6.485
23 HA ARG 5 HA ARG 5 5.889 -1.148 7.681
24 HB2 ARG 5 2HB ARG 5 8.005 -2.329 8.705
25 HB3 ARG 5 1HB ARG 5 8.798 -0.790 8.362
26 HG2 ARG 5 2HG ARG 5 7.938 -0.012 10.293
27 HG3 ARG 5 1HG ARG 5 6.345 -0.096 9.540
28 HD2 ARG 5 2HD ARG 5 5.832 -1.605 11.167
29 HD3 ARG 5 1HD ARG 5 6.868 -2.741 10.279
30 HE ARG 5 HE ARG 5 8.398 -0.934 11.972
31 HH11 ARG 5 1HH2 ARG 5 6.540 -3.843 11.821
32 HH12 ARG 5 2HH2 ARG 5 7.330 -4.568 13.182
33 HH21 ARG 5 1HH1 ARG 5 9.432 -1.871 13.747
34 HH22 ARG 5 2HH1 ARG 5 8.963 -3.454 14.270
35 H ASP 6 H ASP 6 8.930 -0.235 6.026
36 HA ASP 6 HA ASP 6 8.302 2.621 6.104
37 HB2 ASP 6 2HB ASP 6 10.384 0.852 4.805
38 HB3 ASP 6 1HB ASP 6 10.336 2.590 4.508
39 H CYS 7 H CYS 7 7.552 -0.048 4.040
40 HA CYS 7 HA CYS 7 7.127 1.500 1.600
41 HB2 CYS 7 2HB CYS 7 7.693 -0.818 1.425
42 HB3 CYS 7 1HB CYS 7 6.447 -1.279 2.583
43 H SER 8 H SER 8 4.922 -0.148 3.905
44 HA SER 8 HA SER 8 2.506 0.935 2.807
45 HB2 SER 8 2HB SER 8 3.390 -0.767 4.924
46 HB3 SER 8 1HB SER 8 2.293 0.421 5.621
47 HG SER 8 HG SER 8 0.855 -0.927 4.838
48 H LEU 9 H LEU 9 4.601 2.018 5.494
49 HA LEU 9 HA LEU 9 3.044 4.145 6.489
50 HB2 LEU 9 2HB LEU 9 5.819 3.241 6.463
51 HB3 LEU 9 1HB LEU 9 5.707 5.000 6.532
52 HG LEU 9 HG LEU 9 3.902 3.414 8.308
53 HD11 LEU 9 1HD1 LEU 9 5.852 2.266 8.905
54 HD12 LEU 9 2HD1 LEU 9 5.876 3.630 10.019
55 HD13 LEU 9 3HD1 LEU 9 6.888 3.654 8.576
56 HD21 LEU 9 3HD2 LEU 9 4.428 6.093 7.909
57 HD22 LEU 9 1HD2 LEU 9 5.421 5.723 9.319
58 HD23 LEU 9 2HD2 LEU 9 3.685 5.416 9.358
59 H ASP 10 H ASP 10 5.533 4.305 3.907
60 HA ASP 10 HA ASP 10 5.002 7.062 3.242
61 HB2 ASP 10 2HB ASP 10 6.922 5.178 2.715
62 HB3 ASP 10 1HB ASP 10 6.087 5.264 1.163
63 H CYS 11 H CYS 11 3.846 3.961 1.914
64 HA CYS 11 HA CYS 11 2.434 5.071 -0.333
65 HB2 CYS 11 2HB CYS 11 2.885 2.549 0.982
66 HB3 CYS 11 1HB CYS 11 1.170 2.704 0.604
67 H ILE 12 H ILE 12 1.454 4.337 3.014
68 HA ILE 12 HA ILE 12 -1.337 4.902 2.708
69 HB ILE 12 HB ILE 12 0.644 4.959 4.993
70 HG12 ILE 12 2HG1 ILE 12 -1.612 3.104 4.168
71 HG13 ILE 12 1HG1 ILE 12 0.115 2.759 4.089
72 HG21 ILE 12 1HG2 ILE 12 -0.839 6.056 6.280
73 HG22 ILE 12 2HG2 ILE 12 -2.030 4.794 5.962
74 HG23 ILE 12 3HG2 ILE 12 -1.939 6.206 4.910
75 HD11 ILE 12 3HD1 ILE 12 0.084 2.036 6.217
76 HD12 ILE 12 1HD1 ILE 12 -1.651 2.348 6.288
77 HD13 ILE 12 2HD1 ILE 12 -0.507 3.610 6.751
78 H MET 13 H MET 13 1.452 6.971 3.496
79 HA MET 13 HA MET 13 -0.082 9.361 4.031
80 HB2 MET 13 2HB MET 13 2.780 8.700 3.318
81 HB3 MET 13 1HB MET 13 2.259 10.369 3.556
82 HG2 MET 13 2HG MET 13 1.274 8.664 5.688
83 HG3 MET 13 1HG MET 13 3.030 8.558 5.557
84 HE1 MET 13 3HE MET 13 4.298 12.111 5.891
85 HE2 MET 13 1HE MET 13 4.182 10.894 4.613
86 HE3 MET 13 2HE MET 13 4.686 10.427 6.235
87 H LYS 14 H LYS 14 1.187 7.856 1.108
88 HA LYS 14 HA LYS 14 0.991 10.132 -0.643
89 HB2 LYS 14 2HB LYS 14 1.245 7.168 -0.810
90 HB3 LYS 14 1HB LYS 14 0.683 7.992 -2.265
91 HG2 LYS 14 2HG LYS 14 2.746 9.616 -1.503
92 HG3 LYS 14 1HG LYS 14 3.341 8.039 -0.985
93 HD2 LYS 14 2HD LYS 14 3.887 7.581 -3.117
94 HD3 LYS 14 1HD LYS 14 2.177 7.661 -3.541
95 HE2 LYS 14 2HE LYS 14 3.011 9.334 -4.932
96 HE3 LYS 14 1HE LYS 14 2.678 10.298 -3.478
97 HZ1 LYS 14 3HZ LYS 14 5.216 8.859 -3.574
98 HZ2 LYS 14 1HZ LYS 14 4.858 10.376 -2.905
99 HZ3 LYS 14 2HZ LYS 14 5.073 10.219 -4.583
100 H GLY 15 H GLY 15 -1.334 7.700 0.446
101 HA2 GLY 15 2HA GLY 15 -3.704 8.825 0.383
102 HA3 GLY 15 1HA GLY 15 -3.399 8.868 -1.354
103 H TYR 16 H TYR 16 -1.829 6.179 -0.520
104 HA TYR 16 HA TYR 16 -3.981 4.422 -1.436
105 HB2 TYR 16 2HB TYR 16 -1.129 3.987 -0.495
106 HB3 TYR 16 1HB TYR 16 -2.135 2.732 -1.213
107 HD1 TYR 16 2HD TYR 16 -2.769 2.812 -3.579
108 HD2 TYR 16 1HD TYR 16 -0.273 5.840 -1.832
109 HE1 TYR 16 2HE TYR 16 -2.143 3.605 -5.845
110 HE2 TYR 16 1HE TYR 16 0.353 6.632 -4.097
111 HH TYR 16 HH TYR 16 -0.578 4.868 -6.981
112 H ASN 17 H ASN 17 -3.505 2.105 0.041
113 HA ASN 17 HA ASN 17 -4.187 2.868 2.858
114 HB2 ASN 17 2HB ASN 17 -5.977 2.049 0.949
115 HB3 ASN 17 1HB ASN 17 -5.538 0.513 1.692
116 HD21 ASN 17 1HD2 ASN 17 -5.835 0.350 4.103
117 HD22 ASN 17 2HD2 ASN 17 -7.000 1.327 4.861
118 H PHE 18 H PHE 18 -3.728 -0.122 0.914
119 HA PHE 18 HA PHE 18 -1.592 -0.931 2.854
120 HB2 PHE 18 2HB PHE 18 -2.672 -3.288 2.480
121 HB3 PHE 18 1HB PHE 18 -3.445 -2.167 3.598
122 HD1 PHE 18 1HD PHE 18 -3.568 -3.562 0.156
123 HD2 PHE 18 2HD PHE 18 -5.605 -1.237 3.137
124 HE1 PHE 18 1HE PHE 18 -5.646 -3.649 -1.195
125 HE2 PHE 18 2HE PHE 18 -7.681 -1.322 1.786
126 HZ PHE 18 HZ PHE 18 -7.702 -2.528 -0.380
127 H GLY 19 H GLY 19 0.108 -2.128 1.922
128 HA2 GLY 19 2HA GLY 19 -0.108 -2.807 -0.967
129 HA3 GLY 19 1HA GLY 19 1.224 -1.777 -0.439
130 H LYS 20 H LYS 20 2.811 -3.360 -1.017
131 HA LYS 20 HA LYS 20 3.460 -5.253 1.076
132 HB2 LYS 20 2HB LYS 20 1.470 -6.217 -0.311
133 HB3 LYS 20 1HB LYS 20 2.687 -6.514 -1.554
134 HG2 LYS 20 2HG LYS 20 3.869 -8.035 -0.216
135 HG3 LYS 20 1HG LYS 20 3.174 -7.409 1.279
136 HD2 LYS 20 2HD LYS 20 1.241 -8.625 1.055
137 HD3 LYS 20 1HD LYS 20 1.269 -8.542 -0.706
138 HE2 LYS 20 2HE LYS 20 3.570 -10.029 0.189
139 HE3 LYS 20 1HE LYS 20 2.102 -10.719 0.912
140 HZ1 LYS 20 3HZ LYS 20 1.141 -11.070 -1.132
141 HZ2 LYS 20 1HZ LYS 20 2.768 -11.377 -1.500
142 HZ3 LYS 20 2HZ LYS 20 2.074 -9.880 -1.908
143 H CYS 21 H CYS 21 5.562 -6.200 0.713
144 HA CYS 21 HA CYS 21 7.176 -4.770 -1.319
145 HB2 CYS 21 2HB CYS 21 7.669 -6.457 1.130
146 HB3 CYS 21 1HB CYS 21 8.992 -6.092 0.022
147 H VAL 22 H VAL 22 8.271 -5.832 -3.003
148 HA VAL 22 HA VAL 22 7.901 -8.789 -3.260
149 HB VAL 22 HB VAL 22 7.142 -6.576 -5.180
150 HG11 VAL 22 1HG1 VAL 22 7.267 -9.539 -5.805
151 HG12 VAL 22 2HG1 VAL 22 8.497 -8.382 -6.314
152 HG13 VAL 22 3HG1 VAL 22 6.843 -8.233 -6.912
153 HG21 VAL 22 3HG2 VAL 22 5.599 -7.671 -3.343
154 HG22 VAL 22 1HG2 VAL 22 5.520 -9.009 -4.488
155 HG23 VAL 22 2HG2 VAL 22 4.968 -7.405 -4.969
156 H ARG 23 H ARG 23 9.974 -9.560 -3.426
157 HA ARG 23 HA ARG 23 12.225 -9.748 -4.116
158 HB2 ARG 23 2HB ARG 23 10.711 -8.398 -6.316
159 HB3 ARG 23 1HB ARG 23 12.469 -8.470 -6.452
160 HG2 ARG 23 2HG ARG 23 11.454 -11.028 -5.582
161 HG3 ARG 23 1HG ARG 23 10.624 -10.525 -7.055
162 HD2 ARG 23 2HD ARG 23 12.455 -11.112 -8.251
163 HD3 ARG 23 1HD ARG 23 13.400 -9.895 -7.369
164 HE ARG 23 HE ARG 23 12.976 -12.225 -5.724
165 HH11 ARG 23 1HH2 ARG 23 14.768 -10.989 -8.407
166 HH12 ARG 23 2HH2 ARG 23 16.126 -12.029 -8.143
167 HH21 ARG 23 1HH1 ARG 23 14.742 -13.585 -5.372
168 HH22 ARG 23 2HH1 ARG 23 16.113 -13.497 -6.428
169 H GLY 24 H GLY 24 12.027 -6.656 -5.737
170 HA2 GLY 24 2HA GLY 24 13.471 -5.371 -3.459
171 HA3 GLY 24 1HA GLY 24 14.096 -5.244 -5.105
172 H SER 25 H SER 25 10.657 -5.252 -4.624
173 HA SER 25 HA SER 25 10.546 -2.274 -4.821
174 HB2 SER 25 2HB SER 25 10.477 -2.874 -7.097
175 HB3 SER 25 1HB SER 25 9.588 -4.360 -6.773
176 HG SER 25 HG SER 25 8.690 -1.703 -6.901
177 H CYS 26 H CYS 26 8.119 -1.590 -4.654
178 HA CYS 26 HA CYS 26 6.567 -3.531 -2.987
179 HB2 CYS 26 2HB CYS 26 8.088 -1.610 -1.883
180 HB3 CYS 26 1HB CYS 26 6.641 -0.655 -2.204
181 H GLN 27 H GLN 27 4.317 -3.317 -3.192
182 HA GLN 27 HA GLN 27 3.357 -1.263 -5.162
183 HB2 GLN 27 2HB GLN 27 2.434 -4.106 -4.615
184 HB3 GLN 27 1HB GLN 27 1.702 -3.017 -5.793
185 HG2 GLN 27 2HG GLN 27 4.656 -3.512 -5.928
186 HG3 GLN 27 1HG GLN 27 3.555 -4.744 -6.548
187 HE21 GLN 27 1HE2 GLN 27 3.337 -4.479 -8.771
188 HE22 GLN 27 2HE2 GLN 27 3.192 -2.986 -9.566
189 H CYS 28 H CYS 28 0.915 -0.843 -4.831
190 HA CYS 28 HA CYS 28 -0.010 -1.222 -2.034
191 HB2 CYS 28 2HB CYS 28 0.524 1.443 -3.380
192 HB3 CYS 28 1HB CYS 28 -0.345 1.265 -1.855
193 H ARG 29 H ARG 29 -2.312 -0.694 -1.803
194 HA ARG 29 HA ARG 29 -3.760 -0.440 -4.421
195 HB2 ARG 29 2HB ARG 29 -4.433 -2.179 -2.026
196 HB3 ARG 29 1HB ARG 29 -5.335 -2.112 -3.540
197 HG2 ARG 29 2HG ARG 29 -3.104 -2.740 -4.678
198 HG3 ARG 29 1HG ARG 29 -2.558 -3.190 -3.061
199 HD2 ARG 29 2HD ARG 29 -3.571 -5.195 -3.374
200 HD3 ARG 29 1HD ARG 29 -5.127 -4.341 -3.348
201 HE ARG 29 HE ARG 29 -3.764 -4.116 -5.915
202 HH11 ARG 29 1HH2 ARG 29 -5.822 -6.027 -3.903
203 HH12 ARG 29 2HH2 ARG 29 -6.585 -6.835 -5.231
204 HH21 ARG 29 1HH1 ARG 29 -4.752 -5.164 -7.652
205 HH22 ARG 29 2HH1 ARG 29 -5.980 -6.347 -7.351
206 H ARG 30 H ARG 30 -5.942 0.495 -4.189
207 HA ARG 30 HA ARG 30 -6.115 2.359 -1.852
208 HB2 ARG 30 2HB ARG 30 -6.449 2.543 -4.719
209 HB3 ARG 30 1HB ARG 30 -7.935 3.045 -3.910
210 HG2 ARG 30 2HG ARG 30 -5.633 4.116 -2.522
211 HG3 ARG 30 1HG ARG 30 -5.582 4.565 -4.227
212 HD2 ARG 30 2HD ARG 30 -8.195 5.046 -3.755
213 HD3 ARG 30 1HD ARG 30 -7.547 5.351 -2.131
214 HE ARG 30 HE ARG 30 -5.751 6.641 -3.793
215 HH11 ARG 30 1HH2 ARG 30 -9.181 6.661 -3.373
216 HH12 ARG 30 2HH2 ARG 30 -9.359 8.314 -3.859
217 HH21 ARG 30 1HH1 ARG 30 -5.973 8.795 -4.429
218 HH22 ARG 30 2HH1 ARG 30 -7.547 9.519 -4.457
219 H THR 31 H THR 31 -8.226 2.637 -0.850
220 HA THR 31 HA THR 31 -9.787 0.166 -0.696
221 HB THR 31 HB THR 31 -10.939 1.388 1.075
222 HG1 THR 31 1HG THR 31 -11.056 3.366 -0.142
223 HG21 THR 31 3HG2 THR 31 -8.514 0.604 1.365
224 HG22 THR 31 1HG2 THR 31 -9.091 1.819 2.507
225 HG23 THR 31 2HG2 THR 31 -8.060 2.296 1.158
226 H SER 32 H SER 32 -12.382 0.915 -0.479
227 HA SER 32 HA SER 32 -13.043 1.875 -3.231
228 HB2 SER 32 2HB SER 32 -14.228 0.010 -1.211
229 HB3 SER 32 1HB SER 32 -15.317 0.791 -2.354
230 HG SER 32 HG SER 32 -14.407 -1.249 -3.065
231 H GLY 33 H GLY 33 -15.716 2.571 -2.772
232 HA2 GLY 33 2HA GLY 33 -17.120 4.197 -1.765
233 HA3 GLY 33 1HA GLY 33 -15.856 4.507 -0.574
Start of MODEL 11
1 H1 ALA 1 1HT ALA 1 12.931 -6.774 2.063
2 H2 ALA 1 2HT ALA 1 14.205 -7.849 1.734
3 H3 ALA 1 3HT ALA 1 13.694 -6.746 0.549
4 HA ALA 1 HA ALA 1 14.917 -5.973 3.152
5 HB1 ALA 1 2HB ALA 1 16.394 -5.481 0.684
6 HB2 ALA 1 3HB ALA 1 16.042 -7.196 0.900
7 HB3 ALA 1 1HB ALA 1 16.920 -6.310 2.148
8 H CYS 2 H CYS 2 12.532 -5.080 1.280
9 HA CYS 2 HA CYS 2 13.461 -2.363 0.532
10 HB2 CYS 2 2HB CYS 2 11.379 -2.279 -0.670
11 HB3 CYS 2 1HB CYS 2 12.014 -3.908 -0.896
12 H ASN 3 H ASN 3 12.718 -3.625 3.384
13 HA ASN 3 HA ASN 3 11.945 -2.667 5.406
14 HB2 ASN 3 2HB ASN 3 12.602 -0.535 3.580
15 HB3 ASN 3 1HB ASN 3 11.190 -0.070 4.528
16 HD21 ASN 3 1HD2 ASN 3 14.283 0.580 4.656
17 HD22 ASN 3 2HD2 ASN 3 14.622 0.416 6.313
18 H ASP 4 H ASP 4 10.046 -4.096 5.197
19 HA ASP 4 HA ASP 4 7.673 -3.588 3.783
20 HB2 ASP 4 2HB ASP 4 8.595 -5.123 6.096
21 HB3 ASP 4 1HB ASP 4 6.898 -4.659 6.237
22 H ARG 5 H ARG 5 8.679 -2.320 6.966
23 HA ARG 5 HA ARG 5 6.238 -0.987 7.623
24 HB2 ARG 5 2HB ARG 5 7.735 0.289 9.151
25 HB3 ARG 5 1HB ARG 5 8.073 -1.442 9.193
26 HG2 ARG 5 2HG ARG 5 9.782 -0.823 7.263
27 HG3 ARG 5 1HG ARG 5 9.695 0.776 8.003
28 HD2 ARG 5 2HD ARG 5 10.123 -1.647 9.745
29 HD3 ARG 5 1HD ARG 5 11.495 -0.905 8.897
30 HE ARG 5 HE ARG 5 9.971 1.176 10.105
31 HH11 ARG 5 1HH2 ARG 5 11.968 -1.525 10.916
32 HH12 ARG 5 2HH2 ARG 5 12.531 -0.827 12.396
33 HH21 ARG 5 1HH1 ARG 5 10.700 2.093 12.034
34 HH22 ARG 5 2HH1 ARG 5 11.816 1.219 13.029
35 H ASP 6 H ASP 6 9.044 0.026 5.693
36 HA ASP 6 HA ASP 6 8.037 2.755 5.328
37 HB2 ASP 6 2HB ASP 6 10.470 1.776 5.348
38 HB3 ASP 6 1HB ASP 6 10.138 1.384 3.659
39 H CYS 7 H CYS 7 7.417 -0.298 3.916
40 HA CYS 7 HA CYS 7 6.768 0.684 1.225
41 HB2 CYS 7 2HB CYS 7 7.522 -1.692 2.261
42 HB3 CYS 7 1HB CYS 7 5.773 -1.919 2.281
43 H SER 8 H SER 8 4.984 -0.285 4.156
44 HA SER 8 HA SER 8 2.375 0.244 2.905
45 HB2 SER 8 2HB SER 8 2.317 -1.496 4.461
46 HB3 SER 8 1HB SER 8 3.462 -0.703 5.538
47 HG SER 8 HG SER 8 1.692 -0.175 6.564
48 H LEU 9 H LEU 9 4.579 1.829 5.191
49 HA LEU 9 HA LEU 9 2.808 3.919 6.048
50 HB2 LEU 9 2HB LEU 9 5.756 3.386 5.948
51 HB3 LEU 9 1HB LEU 9 5.218 5.017 6.344
52 HG LEU 9 HG LEU 9 3.924 2.708 7.743
53 HD11 LEU 9 1HD1 LEU 9 5.947 1.992 8.480
54 HD12 LEU 9 2HD1 LEU 9 5.942 3.455 9.464
55 HD13 LEU 9 3HD1 LEU 9 6.768 3.444 7.906
56 HD21 LEU 9 3HD2 LEU 9 3.374 5.267 7.900
57 HD22 LEU 9 1HD2 LEU 9 4.817 5.335 8.914
58 HD23 LEU 9 2HD2 LEU 9 3.453 4.318 9.384
59 H ASP 10 H ASP 10 5.269 3.814 3.447
60 HA ASP 10 HA ASP 10 4.848 6.484 2.496
61 HB2 ASP 10 2HB ASP 10 6.815 5.135 1.969
62 HB3 ASP 10 1HB ASP 10 5.811 3.936 1.154
63 H CYS 11 H CYS 11 3.370 3.366 1.605
64 HA CYS 11 HA CYS 11 1.805 4.361 -0.599
65 HB2 CYS 11 2HB CYS 11 1.597 1.996 1.285
66 HB3 CYS 11 1HB CYS 11 0.529 2.206 -0.102
67 H ILE 12 H ILE 12 1.103 3.927 2.874
68 HA ILE 12 HA ILE 12 -1.665 4.698 2.744
69 HB ILE 12 HB ILE 12 0.435 4.757 4.934
70 HG12 ILE 12 2HG1 ILE 12 -1.846 2.811 4.657
71 HG13 ILE 12 1HG1 ILE 12 -0.365 2.571 3.728
72 HG21 ILE 12 1HG2 ILE 12 -1.080 5.901 6.151
73 HG22 ILE 12 2HG2 ILE 12 -2.109 4.471 6.070
74 HG23 ILE 12 3HG2 ILE 12 -2.294 5.761 4.881
75 HD11 ILE 12 3HD1 ILE 12 -0.626 2.753 6.741
76 HD12 ILE 12 1HD1 ILE 12 0.922 2.766 5.894
77 HD13 ILE 12 2HD1 ILE 12 -0.125 1.349 5.796
78 H MET 13 H MET 13 1.312 6.545 3.474
79 HA MET 13 HA MET 13 -0.030 9.054 3.951
80 HB2 MET 13 2HB MET 13 2.673 7.944 3.712
81 HB3 MET 13 1HB MET 13 2.564 9.594 3.100
82 HG2 MET 13 2HG MET 13 2.671 10.297 5.239
83 HG3 MET 13 1HG MET 13 1.060 9.617 5.463
84 HE1 MET 13 3HE MET 13 4.131 8.870 8.128
85 HE2 MET 13 1HE MET 13 2.457 9.411 8.314
86 HE3 MET 13 2HE MET 13 3.534 10.236 7.189
87 H LYS 14 H LYS 14 0.850 7.334 1.062
88 HA LYS 14 HA LYS 14 0.989 9.620 -0.722
89 HB2 LYS 14 2HB LYS 14 0.838 6.637 -0.883
90 HB3 LYS 14 1HB LYS 14 0.474 7.556 -2.344
91 HG2 LYS 14 2HG LYS 14 2.822 8.629 -1.025
92 HG3 LYS 14 1HG LYS 14 3.027 6.909 -1.357
93 HD2 LYS 14 2HD LYS 14 3.630 7.617 -3.434
94 HD3 LYS 14 1HD LYS 14 1.891 7.760 -3.693
95 HE2 LYS 14 2HE LYS 14 2.251 9.964 -4.107
96 HE3 LYS 14 1HE LYS 14 2.623 10.141 -2.381
97 HZ1 LYS 14 3HZ LYS 14 4.883 9.088 -3.162
98 HZ2 LYS 14 1HZ LYS 14 4.619 10.760 -3.262
99 HZ3 LYS 14 2HZ LYS 14 4.446 9.791 -4.647
100 H GLY 15 H GLY 15 -1.609 7.756 0.667
101 HA2 GLY 15 2HA GLY 15 -3.825 9.006 0.544
102 HA3 GLY 15 1HA GLY 15 -3.531 9.101 -1.193
103 H TYR 16 H TYR 16 -2.316 6.181 -0.293
104 HA TYR 16 HA TYR 16 -4.696 4.763 -1.317
105 HB2 TYR 16 2HB TYR 16 -1.847 4.004 -0.610
106 HB3 TYR 16 1HB TYR 16 -3.025 2.848 -1.227
107 HD1 TYR 16 1HD TYR 16 -1.556 6.205 -2.007
108 HD2 TYR 16 2HD TYR 16 -3.280 2.581 -3.539
109 HE1 TYR 16 1HE TYR 16 -1.087 6.961 -4.321
110 HE2 TYR 16 2HE TYR 16 -2.811 3.337 -5.855
111 HH TYR 16 HH TYR 16 -0.717 5.798 -6.594
112 H ASN 17 H ASN 17 -4.269 2.295 0.046
113 HA ASN 17 HA ASN 17 -5.079 3.025 2.843
114 HB2 ASN 17 2HB ASN 17 -6.644 1.965 0.920
115 HB3 ASN 17 1HB ASN 17 -5.950 0.477 1.565
116 HD21 ASN 17 1HD2 ASN 17 -7.253 -0.389 3.175
117 HD22 ASN 17 2HD2 ASN 17 -8.155 0.513 4.294
118 H PHE 18 H PHE 18 -3.469 0.576 0.800
119 HA PHE 18 HA PHE 18 -1.600 -0.025 3.003
120 HB2 PHE 18 2HB PHE 18 -2.246 -2.499 2.800
121 HB3 PHE 18 1HB PHE 18 -3.415 -1.458 3.615
122 HD1 PHE 18 2HD PHE 18 -2.574 -2.940 0.289
123 HD2 PHE 18 1HD PHE 18 -5.619 -1.252 2.805
124 HE1 PHE 18 2HE PHE 18 -4.299 -3.563 -1.381
125 HE2 PHE 18 1HE PHE 18 -7.343 -1.877 1.135
126 HZ PHE 18 HZ PHE 18 -6.684 -3.032 -0.956
127 H GLY 19 H GLY 19 0.209 -1.356 2.247
128 HA2 GLY 19 2HA GLY 19 0.332 -1.776 -0.699
129 HA3 GLY 19 1HA GLY 19 1.605 -0.839 0.085
130 H LYS 20 H LYS 20 2.983 -2.650 -0.814
131 HA LYS 20 HA LYS 20 3.698 -4.502 1.273
132 HB2 LYS 20 2HB LYS 20 2.827 -6.540 0.347
133 HB3 LYS 20 1HB LYS 20 1.487 -5.393 0.349
134 HG2 LYS 20 2HG LYS 20 2.471 -4.823 -2.071
135 HG3 LYS 20 1HG LYS 20 3.043 -6.488 -1.951
136 HD2 LYS 20 2HD LYS 20 0.255 -6.119 -1.082
137 HD3 LYS 20 1HD LYS 20 0.527 -5.761 -2.788
138 HE2 LYS 20 2HE LYS 20 1.992 -8.129 -2.235
139 HE3 LYS 20 1HE LYS 20 0.384 -8.342 -1.516
140 HZ1 LYS 20 3HZ LYS 20 1.061 -7.626 -4.308
141 HZ2 LYS 20 1HZ LYS 20 -0.478 -7.328 -3.661
142 HZ3 LYS 20 2HZ LYS 20 0.109 -8.920 -3.755
143 H CYS 21 H CYS 21 5.493 -5.953 0.541
144 HA CYS 21 HA CYS 21 7.086 -4.643 -1.587
145 HB2 CYS 21 2HB CYS 21 7.741 -5.426 0.856
146 HB3 CYS 21 1HB CYS 21 7.971 -6.988 0.067
147 H VAL 22 H VAL 22 8.062 -5.913 -3.306
148 HA VAL 22 HA VAL 22 7.128 -8.674 -3.755
149 HB VAL 22 HB VAL 22 6.279 -6.296 -5.436
150 HG11 VAL 22 1HG1 VAL 22 6.400 -7.743 -7.177
151 HG12 VAL 22 2HG1 VAL 22 5.010 -8.541 -6.441
152 HG13 VAL 22 3HG1 VAL 22 6.639 -9.129 -6.114
153 HG21 VAL 22 3HG2 VAL 22 3.999 -7.457 -4.938
154 HG22 VAL 22 1HG2 VAL 22 4.755 -6.517 -3.651
155 HG23 VAL 22 2HG2 VAL 22 4.876 -8.276 -3.646
156 H ARG 23 H ARG 23 9.239 -9.404 -4.102
157 HA ARG 23 HA ARG 23 11.287 -9.704 -5.245
158 HB2 ARG 23 2HB ARG 23 9.328 -8.556 -7.182
159 HB3 ARG 23 1HB ARG 23 11.018 -8.598 -7.681
160 HG2 ARG 23 2HG ARG 23 10.643 -10.747 -8.274
161 HG3 ARG 23 1HG ARG 23 10.627 -11.102 -6.546
162 HD2 ARG 23 2HD ARG 23 8.482 -11.794 -6.826
163 HD3 ARG 23 1HD ARG 23 8.057 -10.092 -7.100
164 HE ARG 23 HE ARG 23 7.930 -10.563 -9.411
165 HH11 ARG 23 1HH2 ARG 23 9.761 -12.951 -7.716
166 HH12 ARG 23 2HH2 ARG 23 9.957 -13.970 -9.103
167 HH21 ARG 23 1HH1 ARG 23 8.180 -11.884 -11.225
168 HH22 ARG 23 2HH1 ARG 23 9.064 -13.367 -11.086
169 H GLY 24 H GLY 24 11.831 -7.898 -3.483
170 HA2 GLY 24 2HA GLY 24 12.974 -5.909 -2.961
171 HA3 GLY 24 1HA GLY 24 13.763 -6.154 -4.520
172 H SER 25 H SER 25 10.344 -5.447 -3.796
173 HA SER 25 HA SER 25 10.654 -2.796 -5.133
174 HB2 SER 25 2HB SER 25 9.805 -5.048 -6.450
175 HB3 SER 25 1HB SER 25 8.276 -4.375 -5.894
176 HG SER 25 HG SER 25 8.997 -2.361 -6.819
177 H CYS 26 H CYS 26 8.659 -1.442 -4.792
178 HA CYS 26 HA CYS 26 7.065 -2.284 -2.400
179 HB2 CYS 26 2HB CYS 26 9.048 -0.171 -2.717
180 HB3 CYS 26 1HB CYS 26 7.491 0.481 -2.207
181 H GLN 27 H GLN 27 5.000 -2.370 -3.223
182 HA GLN 27 HA GLN 27 4.124 -0.149 -5.044
183 HB2 GLN 27 2HB GLN 27 3.487 -3.093 -4.842
184 HB3 GLN 27 1HB GLN 27 2.404 -1.989 -5.691
185 HG2 GLN 27 2HG GLN 27 5.269 -1.714 -6.378
186 HG3 GLN 27 1HG GLN 27 4.518 -3.231 -6.876
187 HE21 GLN 27 1HE2 GLN 27 2.570 -0.305 -6.597
188 HE22 GLN 27 2HE2 GLN 27 2.339 -0.079 -8.264
189 H CYS 28 H CYS 28 1.709 0.292 -4.842
190 HA CYS 28 HA CYS 28 0.795 -0.035 -2.002
191 HB2 CYS 28 2HB CYS 28 0.293 2.306 -3.860
192 HB3 CYS 28 1HB CYS 28 -0.004 2.240 -2.124
193 H ARG 29 H ARG 29 -1.392 -0.594 -1.746
194 HA ARG 29 HA ARG 29 -3.014 -0.876 -4.256
195 HB2 ARG 29 2HB ARG 29 -2.632 -2.785 -1.928
196 HB3 ARG 29 1HB ARG 29 -3.837 -3.013 -3.196
197 HG2 ARG 29 2HG ARG 29 -1.158 -2.452 -4.249
198 HG3 ARG 29 1HG ARG 29 -1.231 -3.934 -3.292
199 HD2 ARG 29 2HD ARG 29 -1.755 -4.283 -5.743
200 HD3 ARG 29 1HD ARG 29 -3.074 -4.779 -4.665
201 HE ARG 29 HE ARG 29 -4.358 -2.987 -5.510
202 HH11 ARG 29 1HH2 ARG 29 -0.986 -2.550 -6.117
203 HH12 ARG 29 2HH2 ARG 29 -1.210 -1.118 -7.063
204 HH21 ARG 29 1HH1 ARG 29 -4.661 -1.119 -6.742
205 HH22 ARG 29 2HH1 ARG 29 -3.288 -0.308 -7.416
206 H ARG 30 H ARG 30 -5.110 -0.116 -4.063
207 HA ARG 30 HA ARG 30 -5.908 1.030 -1.432
208 HB2 ARG 30 2HB ARG 30 -6.291 1.592 -4.289
209 HB3 ARG 30 1HB ARG 30 -7.774 1.752 -3.349
210 HG2 ARG 30 2HG ARG 30 -6.624 3.250 -1.769
211 HG3 ARG 30 1HG ARG 30 -5.130 3.085 -2.694
212 HD2 ARG 30 2HD ARG 30 -6.082 5.111 -3.502
213 HD3 ARG 30 1HD ARG 30 -6.562 3.912 -4.719
214 HE ARG 30 HE ARG 30 -8.792 4.106 -3.956
215 HH11 ARG 30 1HH2 ARG 30 -6.530 5.388 -1.682
216 HH12 ARG 30 2HH2 ARG 30 -7.751 6.028 -0.634
217 HH21 ARG 30 1HH1 ARG 30 -10.391 4.936 -2.596
218 HH22 ARG 30 2HH1 ARG 30 -9.934 5.773 -1.150
219 H THR 31 H THR 31 -8.589 0.996 -1.475
220 HA THR 31 HA THR 31 -9.303 -1.914 -1.634
221 HB THR 31 HB THR 31 -10.836 -0.045 0.090
222 HG1 THR 31 1HG THR 31 -8.934 -0.486 1.628
223 HG21 THR 31 3HG2 THR 31 -11.186 -2.500 0.051
224 HG22 THR 31 1HG2 THR 31 -10.681 -1.934 1.642
225 HG23 THR 31 2HG2 THR 31 -9.520 -2.731 0.582
226 H SER 32 H SER 32 -10.232 1.364 -2.467
227 HA SER 32 HA SER 32 -12.804 0.371 -3.630
228 HB2 SER 32 2HB SER 32 -12.064 2.596 -2.081
229 HB3 SER 32 1HB SER 32 -12.331 3.241 -3.698
230 HG SER 32 HG SER 32 -14.390 2.787 -3.534
231 H GLY 33 H GLY 33 -13.328 1.902 -5.688
232 HA2 GLY 33 2HA GLY 33 -12.219 3.025 -7.632
233 HA3 GLY 33 1HA GLY 33 -10.898 1.871 -7.436
Start of MODEL 12
1 H1 ALA 1 1HT ALA 1 14.341 1.574 -1.459
2 H2 ALA 1 2HT ALA 1 12.834 0.876 -1.816
3 H3 ALA 1 3HT ALA 1 14.247 -0.068 -1.875
4 HA ALA 1 HA ALA 1 14.482 -0.108 0.442
5 HB1 ALA 1 2HB ALA 1 13.768 2.492 0.178
6 HB2 ALA 1 3HB ALA 1 13.815 1.671 1.737
7 HB3 ALA 1 1HB ALA 1 12.284 1.848 0.879
8 H CYS 2 H CYS 2 13.463 -2.179 -0.221
9 HA CYS 2 HA CYS 2 10.529 -2.375 -0.199
10 HB2 CYS 2 2HB CYS 2 11.732 -3.788 -1.701
11 HB3 CYS 2 1HB CYS 2 12.862 -4.288 -0.441
12 H ASN 3 H ASN 3 10.212 -1.556 2.037
13 HA ASN 3 HA ASN 3 10.810 -3.657 4.096
14 HB2 ASN 3 2HB ASN 3 11.407 -0.801 3.927
15 HB3 ASN 3 1HB ASN 3 10.526 -1.204 5.399
16 HD21 ASN 3 1HD2 ASN 3 13.475 -2.000 3.544
17 HD22 ASN 3 2HD2 ASN 3 14.317 -2.664 4.860
18 H ASP 4 H ASP 4 8.982 -4.432 5.080
19 HA ASP 4 HA ASP 4 6.350 -3.784 4.312
20 HB2 ASP 4 2HB ASP 4 7.312 -4.832 6.992
21 HB3 ASP 4 1HB ASP 4 5.741 -5.133 6.247
22 H ARG 5 H ARG 5 8.238 -2.538 7.082
23 HA ARG 5 HA ARG 5 6.035 -0.832 7.999
24 HB2 ARG 5 2HB ARG 5 8.441 -1.928 8.988
25 HB3 ARG 5 1HB ARG 5 8.669 -0.178 9.015
26 HG2 ARG 5 2HG ARG 5 6.666 0.137 10.321
27 HG3 ARG 5 1HG ARG 5 6.219 -1.559 10.135
28 HD2 ARG 5 2HD ARG 5 8.114 -2.277 11.470
29 HD3 ARG 5 1HD ARG 5 8.749 -0.620 11.530
30 HE ARG 5 HE ARG 5 6.041 -0.617 12.459
31 HH11 ARG 5 1HH2 ARG 5 9.228 -1.644 13.311
32 HH12 ARG 5 2HH2 ARG 5 8.949 -1.526 15.015
33 HH21 ARG 5 1HH1 ARG 5 5.667 -0.463 14.680
34 HH22 ARG 5 2HH1 ARG 5 6.937 -0.859 15.791
35 H ASP 6 H ASP 6 9.031 -0.436 6.148
36 HA ASP 6 HA ASP 6 8.839 2.480 6.038
37 HB2 ASP 6 2HB ASP 6 10.827 0.672 5.792
38 HB3 ASP 6 1HB ASP 6 10.444 0.901 4.085
39 H CYS 7 H CYS 7 7.699 -0.225 4.121
40 HA CYS 7 HA CYS 7 7.076 1.447 1.770
41 HB2 CYS 7 2HB CYS 7 7.817 -0.824 1.431
42 HB3 CYS 7 1HB CYS 7 6.609 -1.441 2.559
43 H SER 8 H SER 8 5.313 -0.264 4.360
44 HA SER 8 HA SER 8 2.674 0.429 3.448
45 HB2 SER 8 2HB SER 8 2.043 -0.412 5.643
46 HB3 SER 8 1HB SER 8 3.360 -1.405 5.028
47 HG SER 8 HG SER 8 3.803 -0.807 7.147
48 H LEU 9 H LEU 9 4.813 1.876 5.930
49 HA LEU 9 HA LEU 9 3.015 3.973 6.704
50 HB2 LEU 9 2HB LEU 9 5.945 3.363 6.894
51 HB3 LEU 9 1HB LEU 9 5.390 4.974 7.349
52 HG LEU 9 HG LEU 9 3.840 2.668 8.422
53 HD11 LEU 9 1HD1 LEU 9 6.722 3.131 8.933
54 HD12 LEU 9 2HD1 LEU 9 5.757 1.672 9.164
55 HD13 LEU 9 3HD1 LEU 9 5.721 2.954 10.373
56 HD21 LEU 9 3HD2 LEU 9 3.844 4.191 10.423
57 HD22 LEU 9 1HD2 LEU 9 3.179 4.942 8.971
58 HD23 LEU 9 2HD2 LEU 9 4.818 5.332 9.495
59 H ASP 10 H ASP 10 5.559 3.801 4.215
60 HA ASP 10 HA ASP 10 5.375 6.603 3.475
61 HB2 ASP 10 2HB ASP 10 6.658 4.086 2.494
62 HB3 ASP 10 1HB ASP 10 6.547 5.440 1.368
63 H CYS 11 H CYS 11 4.180 3.578 1.957
64 HA CYS 11 HA CYS 11 2.800 4.913 -0.193
65 HB2 CYS 11 2HB CYS 11 3.535 2.559 -0.218
66 HB3 CYS 11 1HB CYS 11 2.411 2.190 1.090
67 H ILE 12 H ILE 12 1.752 3.757 3.019
68 HA ILE 12 HA ILE 12 -1.048 4.243 2.674
69 HB ILE 12 HB ILE 12 0.833 4.151 5.041
70 HG12 ILE 12 2HG1 ILE 12 -1.331 2.265 4.051
71 HG13 ILE 12 1HG1 ILE 12 0.397 2.056 3.761
72 HG21 ILE 12 1HG2 ILE 12 -2.019 4.942 4.897
73 HG22 ILE 12 2HG2 ILE 12 -0.809 5.311 6.126
74 HG23 ILE 12 3HG2 ILE 12 -1.622 3.746 6.131
75 HD11 ILE 12 3HD1 ILE 12 0.552 0.991 5.737
76 HD12 ILE 12 1HD1 ILE 12 -1.138 1.341 6.096
77 HD13 ILE 12 2HD1 ILE 12 0.114 2.499 6.540
78 H MET 13 H MET 13 1.608 6.334 3.810
79 HA MET 13 HA MET 13 -0.158 8.583 4.407
80 HB2 MET 13 2HB MET 13 2.440 7.764 4.989
81 HB3 MET 13 1HB MET 13 2.674 9.151 3.922
82 HG2 MET 13 2HG MET 13 0.970 10.377 5.387
83 HG3 MET 13 1HG MET 13 1.156 9.053 6.535
84 HE1 MET 13 3HE MET 13 3.021 8.317 7.606
85 HE2 MET 13 1HE MET 13 4.519 9.193 7.956
86 HE3 MET 13 2HE MET 13 4.350 8.295 6.449
87 H LYS 14 H LYS 14 1.395 7.329 1.574
88 HA LYS 14 HA LYS 14 1.590 9.804 0.075
89 HB2 LYS 14 2HB LYS 14 1.829 6.872 -0.343
90 HB3 LYS 14 1HB LYS 14 1.455 7.823 -1.782
91 HG2 LYS 14 2HG LYS 14 3.533 9.056 -0.131
92 HG3 LYS 14 1HG LYS 14 3.988 7.450 -0.706
93 HD2 LYS 14 2HD LYS 14 4.555 8.481 -2.639
94 HD3 LYS 14 1HD LYS 14 2.821 8.591 -2.940
95 HE2 LYS 14 2HE LYS 14 3.906 10.708 -1.172
96 HE3 LYS 14 1HE LYS 14 4.454 10.772 -2.858
97 HZ1 LYS 14 3HZ LYS 14 1.622 10.254 -2.219
98 HZ2 LYS 14 1HZ LYS 14 2.294 10.864 -3.651
99 HZ3 LYS 14 2HZ LYS 14 2.207 11.846 -2.269
100 H GLY 15 H GLY 15 -0.984 7.535 0.751
101 HA2 GLY 15 2HA GLY 15 -3.260 8.719 0.381
102 HA3 GLY 15 1HA GLY 15 -2.709 8.872 -1.287
103 H TYR 16 H TYR 16 -1.415 6.037 -0.307
104 HA TYR 16 HA TYR 16 -3.434 4.457 -1.729
105 HB2 TYR 16 2HB TYR 16 -0.781 3.901 -0.377
106 HB3 TYR 16 1HB TYR 16 -1.718 2.646 -1.184
107 HD1 TYR 16 2HD TYR 16 -2.217 2.833 -3.632
108 HD2 TYR 16 1HD TYR 16 0.451 5.535 -1.625
109 HE1 TYR 16 2HE TYR 16 -1.295 3.548 -5.819
110 HE2 TYR 16 1HE TYR 16 1.373 6.251 -3.813
111 HH TYR 16 HH TYR 16 1.569 5.324 -6.115
112 H ASN 17 H ASN 17 -3.601 2.088 -0.469
113 HA ASN 17 HA ASN 17 -4.612 2.712 2.288
114 HB2 ASN 17 2HB ASN 17 -6.153 2.260 0.110
115 HB3 ASN 17 1HB ASN 17 -5.908 0.597 0.646
116 HD21 ASN 17 1HD2 ASN 17 -7.393 3.683 1.497
117 HD22 ASN 17 2HD2 ASN 17 -8.246 3.107 2.847
118 H PHE 18 H PHE 18 -3.151 0.335 0.105
119 HA PHE 18 HA PHE 18 -2.453 -1.321 2.512
120 HB2 PHE 18 2HB PHE 18 -2.749 -2.358 -0.310
121 HB3 PHE 18 1HB PHE 18 -2.830 -3.262 1.201
122 HD1 PHE 18 2HD PHE 18 -4.613 -1.472 2.801
123 HD2 PHE 18 1HD PHE 18 -4.869 -2.760 -1.288
124 HE1 PHE 18 2HE PHE 18 -7.071 -1.152 2.854
125 HE2 PHE 18 1HE PHE 18 -7.326 -2.439 -1.237
126 HZ PHE 18 HZ PHE 18 -8.426 -1.635 0.832
127 H GLY 19 H GLY 19 -0.423 -2.674 2.071
128 HA2 GLY 19 2HA GLY 19 1.429 -1.618 0.051
129 HA3 GLY 19 1HA GLY 19 1.871 -1.244 1.719
130 H LYS 20 H LYS 20 2.704 -3.305 -0.597
131 HA LYS 20 HA LYS 20 3.366 -5.455 1.361
132 HB2 LYS 20 2HB LYS 20 1.202 -5.779 -0.089
133 HB3 LYS 20 1HB LYS 20 2.343 -6.127 -1.389
134 HG2 LYS 20 2HG LYS 20 3.444 -7.782 0.234
135 HG3 LYS 20 1HG LYS 20 2.000 -7.596 1.229
136 HD2 LYS 20 2HD LYS 20 0.594 -8.281 -0.687
137 HD3 LYS 20 1HD LYS 20 2.044 -8.488 -1.670
138 HE2 LYS 20 2HE LYS 20 1.284 -10.660 -0.728
139 HE3 LYS 20 1HE LYS 20 2.866 -10.208 -0.064
140 HZ1 LYS 20 3HZ LYS 20 0.865 -10.839 1.507
141 HZ2 LYS 20 1HZ LYS 20 0.470 -9.205 1.283
142 HZ3 LYS 20 2HZ LYS 20 1.980 -9.630 1.936
143 H CYS 21 H CYS 21 5.395 -6.363 0.963
144 HA CYS 21 HA CYS 21 6.988 -5.143 -1.235
145 HB2 CYS 21 2HB CYS 21 7.383 -5.859 1.490
146 HB3 CYS 21 1HB CYS 21 8.450 -6.883 0.530
147 H VAL 22 H VAL 22 7.588 -6.356 -3.005
148 HA VAL 22 HA VAL 22 7.687 -9.315 -2.800
149 HB VAL 22 HB VAL 22 5.822 -7.704 -4.563
150 HG11 VAL 22 1HG1 VAL 22 6.392 -9.300 -6.113
151 HG12 VAL 22 2HG1 VAL 22 5.242 -10.263 -5.186
152 HG13 VAL 22 3HG1 VAL 22 6.974 -10.430 -4.890
153 HG21 VAL 22 3HG2 VAL 22 5.566 -9.544 -2.227
154 HG22 VAL 22 1HG2 VAL 22 4.322 -9.647 -3.473
155 HG23 VAL 22 2HG2 VAL 22 4.613 -8.118 -2.641
156 H ARG 23 H ARG 23 9.463 -9.991 -3.934
157 HA ARG 23 HA ARG 23 11.177 -10.034 -5.563
158 HB2 ARG 23 2HB ARG 23 8.956 -9.592 -6.895
159 HB3 ARG 23 1HB ARG 23 9.604 -7.961 -7.074
160 HG2 ARG 23 2HG ARG 23 11.624 -8.821 -8.116
161 HG3 ARG 23 1HG ARG 23 11.111 -10.482 -7.819
162 HD2 ARG 23 2HD ARG 23 10.384 -10.243 -10.017
163 HD3 ARG 23 1HD ARG 23 8.946 -9.633 -9.175
164 HE ARG 23 HE ARG 23 10.548 -7.398 -9.359
165 HH11 ARG 23 1HH2 ARG 23 9.413 -9.783 -11.585
166 HH12 ARG 23 2HH2 ARG 23 9.389 -8.696 -12.934
167 HH21 ARG 23 1HH1 ARG 23 10.519 -5.974 -11.110
168 HH22 ARG 23 2HH1 ARG 23 10.014 -6.543 -12.666
169 H GLY 24 H GLY 24 11.885 -8.525 -3.459
170 HA2 GLY 24 2HA GLY 24 13.129 -6.661 -2.752
171 HA3 GLY 24 1HA GLY 24 13.793 -6.696 -4.387
172 H SER 25 H SER 25 10.374 -6.264 -4.031
173 HA SER 25 HA SER 25 10.634 -3.306 -4.349
174 HB2 SER 25 2HB SER 25 9.332 -5.299 -6.220
175 HB3 SER 25 1HB SER 25 8.978 -3.575 -6.281
176 HG SER 25 HG SER 25 11.622 -4.580 -6.335
177 H CYS 26 H CYS 26 8.218 -2.408 -4.452
178 HA CYS 26 HA CYS 26 6.474 -4.015 -2.629
179 HB2 CYS 26 2HB CYS 26 8.053 -2.011 -1.738
180 HB3 CYS 26 1HB CYS 26 6.645 -1.070 -2.237
181 H GLN 27 H GLN 27 4.268 -3.767 -3.041
182 HA GLN 27 HA GLN 27 3.551 -1.995 -5.354
183 HB2 GLN 27 2HB GLN 27 2.807 -4.752 -4.456
184 HB3 GLN 27 1HB GLN 27 1.597 -3.813 -5.330
185 HG2 GLN 27 2HG GLN 27 3.971 -3.412 -6.762
186 HG3 GLN 27 1HG GLN 27 3.983 -5.126 -6.345
187 HE21 GLN 27 1HE2 GLN 27 2.287 -6.488 -7.234
188 HE22 GLN 27 2HE2 GLN 27 1.251 -5.937 -8.461
189 H CYS 28 H CYS 28 1.438 -0.955 -5.219
190 HA CYS 28 HA CYS 28 0.382 -0.739 -2.416
191 HB2 CYS 28 2HB CYS 28 1.022 1.308 -4.537
192 HB3 CYS 28 1HB CYS 28 -0.124 1.674 -3.247
193 H ARG 29 H ARG 29 -1.922 0.209 -2.464
194 HA ARG 29 HA ARG 29 -3.444 -0.558 -4.911
195 HB2 ARG 29 2HB ARG 29 -3.318 -1.920 -2.319
196 HB3 ARG 29 1HB ARG 29 -4.968 -1.511 -2.787
197 HG2 ARG 29 2HG ARG 29 -3.458 -2.543 -5.048
198 HG3 ARG 29 1HG ARG 29 -3.473 -3.692 -3.710
199 HD2 ARG 29 2HD ARG 29 -6.021 -3.218 -3.583
200 HD3 ARG 29 1HD ARG 29 -5.825 -2.534 -5.209
201 HE ARG 29 HE ARG 29 -4.469 -5.042 -5.111
202 HH11 ARG 29 1HH2 ARG 29 -7.634 -3.663 -5.028
203 HH12 ARG 29 2HH2 ARG 29 -8.394 -5.045 -5.742
204 HH21 ARG 29 1HH1 ARG 29 -5.451 -6.850 -6.042
205 HH22 ARG 29 2HH1 ARG 29 -7.161 -6.847 -6.315
206 H ARG 30 H ARG 30 -5.219 0.786 -5.240
207 HA ARG 30 HA ARG 30 -5.684 2.904 -3.174
208 HB2 ARG 30 2HB ARG 30 -6.308 2.827 -6.145
209 HB3 ARG 30 1HB ARG 30 -6.427 4.237 -5.093
210 HG2 ARG 30 2HG ARG 30 -3.867 3.510 -4.594
211 HG3 ARG 30 1HG ARG 30 -4.022 2.945 -6.258
212 HD2 ARG 30 2HD ARG 30 -5.227 5.444 -6.348
213 HD3 ARG 30 1HD ARG 30 -3.853 5.692 -5.252
214 HE ARG 30 HE ARG 30 -2.400 5.273 -7.070
215 HH11 ARG 30 1HH2 ARG 30 -5.606 4.149 -7.697
216 HH12 ARG 30 2HH2 ARG 30 -5.272 3.725 -9.342
217 HH21 ARG 30 1HH1 ARG 30 -1.956 4.725 -9.214
218 HH22 ARG 30 2HH1 ARG 30 -3.209 4.051 -10.200
219 H THR 31 H THR 31 -7.521 2.544 -1.994
220 HA THR 31 HA THR 31 -9.625 0.732 -2.900
221 HB THR 31 HB THR 31 -8.995 0.878 -0.561
222 HG1 THR 31 1HG THR 31 -11.064 1.547 0.314
223 HG21 THR 31 3HG2 THR 31 -9.733 3.223 0.513
224 HG22 THR 31 1HG2 THR 31 -9.291 3.791 -1.098
225 HG23 THR 31 2HG2 THR 31 -8.105 2.945 -0.104
226 H SER 32 H SER 32 -11.949 2.006 -2.074
227 HA SER 32 HA SER 32 -12.155 4.352 -3.935
228 HB2 SER 32 2HB SER 32 -13.106 2.245 -4.834
229 HB3 SER 32 1HB SER 32 -14.126 2.104 -3.406
230 HG SER 32 HG SER 32 -15.218 3.926 -4.018
231 H GLY 33 H GLY 33 -14.171 5.693 -3.402
232 HA2 GLY 33 2HA GLY 33 -14.921 5.553 -0.526
233 HA3 GLY 33 1HA GLY 33 -14.259 7.063 -1.152
Start of MODEL 13
1 H1 ALA 1 1HT ALA 1 15.968 -4.748 -1.017
2 H2 ALA 1 2HT ALA 1 15.130 -5.999 -0.229
3 H3 ALA 1 3HT ALA 1 16.815 -5.865 -0.062
4 HA ALA 1 HA ALA 1 15.553 -5.053 1.914
5 HB1 ALA 1 2HB ALA 1 16.861 -2.697 1.525
6 HB2 ALA 1 3HB ALA 1 17.562 -3.665 0.229
7 HB3 ALA 1 1HB ALA 1 17.686 -4.209 1.901
8 H CYS 2 H CYS 2 13.219 -4.876 1.148
9 HA CYS 2 HA CYS 2 12.528 -2.134 0.179
10 HB2 CYS 2 2HB CYS 2 10.489 -3.157 -0.589
11 HB3 CYS 2 1HB CYS 2 11.796 -4.259 -1.018
12 H ASN 3 H ASN 3 11.925 -4.464 2.774
13 HA ASN 3 HA ASN 3 11.001 -4.152 4.929
14 HB2 ASN 3 2HB ASN 3 12.338 -1.709 4.063
15 HB3 ASN 3 1HB ASN 3 11.038 -1.368 5.208
16 HD21 ASN 3 1HD2 ASN 3 14.109 -1.416 5.532
17 HD22 ASN 3 2HD2 ASN 3 14.361 -2.414 6.882
18 H ASP 4 H ASP 4 8.835 -4.330 5.354
19 HA ASP 4 HA ASP 4 6.848 -3.045 3.628
20 HB2 ASP 4 2HB ASP 4 6.591 -4.676 6.177
21 HB3 ASP 4 1HB ASP 4 5.300 -4.355 5.019
22 H ARG 5 H ARG 5 8.291 -2.432 6.760
23 HA ARG 5 HA ARG 5 6.267 -0.768 7.909
24 HB2 ARG 5 2HB ARG 5 8.168 -1.739 9.123
25 HB3 ARG 5 1HB ARG 5 9.291 -0.773 8.165
26 HG2 ARG 5 2HG ARG 5 7.878 1.255 9.035
27 HG3 ARG 5 1HG ARG 5 7.366 0.128 10.291
28 HD2 ARG 5 2HD ARG 5 10.057 -0.319 10.310
29 HD3 ARG 5 1HD ARG 5 10.010 1.403 9.882
30 HE ARG 5 HE ARG 5 8.147 1.223 11.903
31 HH11 ARG 5 1HH2 ARG 5 11.429 0.213 11.510
32 HH12 ARG 5 2HH2 ARG 5 11.816 0.381 13.189
33 HH21 ARG 5 1HH1 ARG 5 8.642 1.442 14.094
34 HH22 ARG 5 2HH1 ARG 5 10.240 1.076 14.652
35 H ASP 6 H ASP 6 9.325 0.276 6.342
36 HA ASP 6 HA ASP 6 8.334 3.009 6.013
37 HB2 ASP 6 2HB ASP 6 10.737 2.052 6.417
38 HB3 ASP 6 1HB ASP 6 10.747 1.801 4.671
39 H CYS 7 H CYS 7 7.478 0.287 4.437
40 HA CYS 7 HA CYS 7 7.574 1.422 1.684
41 HB2 CYS 7 2HB CYS 7 8.309 -0.832 1.841
42 HB3 CYS 7 1HB CYS 7 7.000 -1.268 2.937
43 H SER 8 H SER 8 5.299 0.381 4.207
44 HA SER 8 HA SER 8 2.971 1.115 2.519
45 HB2 SER 8 2HB SER 8 3.560 -0.431 4.978
46 HB3 SER 8 1HB SER 8 2.005 0.396 4.967
47 HG SER 8 HG SER 8 2.961 -1.680 3.377
48 H LEU 9 H LEU 9 4.808 2.297 5.289
49 HA LEU 9 HA LEU 9 2.997 4.153 6.406
50 HB2 LEU 9 2HB LEU 9 5.906 3.703 6.227
51 HB3 LEU 9 1HB LEU 9 5.457 5.377 6.558
52 HG LEU 9 HG LEU 9 4.185 3.117 8.090
53 HD11 LEU 9 1HD1 LEU 9 5.924 3.452 9.828
54 HD12 LEU 9 2HD1 LEU 9 6.791 4.532 8.736
55 HD13 LEU 9 3HD1 LEU 9 6.613 2.826 8.329
56 HD21 LEU 9 3HD2 LEU 9 4.786 5.591 9.488
57 HD22 LEU 9 1HD2 LEU 9 3.225 4.816 9.225
58 HD23 LEU 9 2HD2 LEU 9 3.880 5.913 8.010
59 H ASP 10 H ASP 10 5.470 4.821 3.890
60 HA ASP 10 HA ASP 10 4.559 7.484 3.327
61 HB2 ASP 10 2HB ASP 10 6.733 6.012 2.756
62 HB3 ASP 10 1HB ASP 10 5.866 5.805 1.233
63 H CYS 11 H CYS 11 3.729 4.317 1.943
64 HA CYS 11 HA CYS 11 2.201 5.298 -0.288
65 HB2 CYS 11 2HB CYS 11 2.730 2.789 1.162
66 HB3 CYS 11 1HB CYS 11 1.140 2.846 0.399
67 H ILE 12 H ILE 12 1.181 4.155 2.956
68 HA ILE 12 HA ILE 12 -1.612 4.693 2.609
69 HB ILE 12 HB ILE 12 0.229 4.527 5.013
70 HG12 ILE 12 2HG1 ILE 12 -1.860 2.540 4.117
71 HG13 ILE 12 1HG1 ILE 12 -0.241 2.532 3.412
72 HG21 ILE 12 1HG2 ILE 12 -1.492 5.007 6.398
73 HG22 ILE 12 2HG2 ILE 12 -2.600 3.978 5.490
74 HG23 ILE 12 3HG2 ILE 12 -2.327 5.645 4.982
75 HD11 ILE 12 3HD1 ILE 12 0.448 2.648 6.005
76 HD12 ILE 12 1HD1 ILE 12 0.153 1.115 5.182
77 HD13 ILE 12 2HD1 ILE 12 -1.110 1.838 6.179
78 H MET 13 H MET 13 1.113 6.757 3.334
79 HA MET 13 HA MET 13 -0.478 8.968 4.404
80 HB2 MET 13 2HB MET 13 2.260 8.168 4.122
81 HB3 MET 13 1HB MET 13 2.082 9.777 3.423
82 HG2 MET 13 2HG MET 13 1.060 10.605 5.472
83 HG3 MET 13 1HG MET 13 1.074 8.986 6.171
84 HE1 MET 13 3HE MET 13 1.955 9.323 8.023
85 HE2 MET 13 1HE MET 13 3.548 9.931 8.499
86 HE3 MET 13 2HE MET 13 3.378 8.297 7.858
87 H LYS 14 H LYS 14 0.647 7.903 1.256
88 HA LYS 14 HA LYS 14 0.279 10.434 -0.119
89 HB2 LYS 14 2HB LYS 14 0.686 7.539 -0.809
90 HB3 LYS 14 1HB LYS 14 0.211 8.659 -2.086
91 HG2 LYS 14 2HG LYS 14 2.203 10.053 -0.768
92 HG3 LYS 14 1HG LYS 14 2.785 8.388 -0.704
93 HD2 LYS 14 2HD LYS 14 3.577 8.867 -2.793
94 HD3 LYS 14 1HD LYS 14 1.922 8.494 -3.277
95 HE2 LYS 14 2HE LYS 14 1.846 10.597 -4.143
96 HE3 LYS 14 1HE LYS 14 1.822 11.180 -2.466
97 HZ1 LYS 14 3HZ LYS 14 3.713 12.156 -3.443
98 HZ2 LYS 14 1HZ LYS 14 4.179 10.710 -4.199
99 HZ3 LYS 14 2HZ LYS 14 4.311 10.865 -2.513
100 H GLY 15 H GLY 15 -1.824 7.775 0.780
101 HA2 GLY 15 2HA GLY 15 -4.268 8.667 0.836
102 HA3 GLY 15 1HA GLY 15 -4.010 8.930 -0.890
103 H TYR 16 H TYR 16 -2.215 6.309 -0.444
104 HA TYR 16 HA TYR 16 -4.114 4.496 -1.626
105 HB2 TYR 16 2HB TYR 16 -1.426 4.098 -0.273
106 HB3 TYR 16 1HB TYR 16 -2.240 2.878 -1.250
107 HD1 TYR 16 1HD TYR 16 -3.427 4.601 -3.380
108 HD2 TYR 16 2HD TYR 16 0.476 4.644 -1.585
109 HE1 TYR 16 1HE TYR 16 -2.491 5.616 -5.439
110 HE2 TYR 16 2HE TYR 16 1.412 5.659 -3.645
111 HH TYR 16 HH TYR 16 -0.135 7.211 -5.795
112 H ASN 17 H ASN 17 -3.581 2.107 -0.162
113 HA ASN 17 HA ASN 17 -4.838 2.635 2.503
114 HB2 ASN 17 2HB ASN 17 -6.057 1.593 0.172
115 HB3 ASN 17 1HB ASN 17 -5.822 0.221 1.254
116 HD21 ASN 17 1HD2 ASN 17 -6.280 1.134 3.756
117 HD22 ASN 17 2HD2 ASN 17 -7.804 1.869 3.898
118 H PHE 18 H PHE 18 -3.492 0.017 0.441
119 HA PHE 18 HA PHE 18 -1.654 -0.737 2.635
120 HB2 PHE 18 2HB PHE 18 -2.566 -3.145 2.371
121 HB3 PHE 18 1HB PHE 18 -3.550 -2.003 3.284
122 HD1 PHE 18 2HD PHE 18 -3.055 -3.356 -0.171
123 HD2 PHE 18 1HD PHE 18 -5.776 -1.602 2.651
124 HE1 PHE 18 2HE PHE 18 -4.928 -3.712 -1.757
125 HE2 PHE 18 1HE PHE 18 -7.650 -1.960 1.066
126 HZ PHE 18 HZ PHE 18 -7.226 -3.015 -1.137
127 H GLY 19 H GLY 19 0.009 -2.242 1.887
128 HA2 GLY 19 2HA GLY 19 0.058 -2.948 -0.972
129 HA3 GLY 19 1HA GLY 19 1.284 -1.783 -0.462
130 H LYS 20 H LYS 20 2.854 -3.498 -1.070
131 HA LYS 20 HA LYS 20 3.724 -5.006 1.244
132 HB2 LYS 20 2HB LYS 20 3.224 -7.232 0.408
133 HB3 LYS 20 1HB LYS 20 1.729 -6.298 0.402
134 HG2 LYS 20 2HG LYS 20 2.243 -5.725 -2.027
135 HG3 LYS 20 1HG LYS 20 3.508 -6.952 -1.955
136 HD2 LYS 20 2HD LYS 20 0.861 -7.799 -0.932
137 HD3 LYS 20 1HD LYS 20 0.939 -7.489 -2.668
138 HE2 LYS 20 2HE LYS 20 1.802 -9.588 -2.850
139 HE3 LYS 20 1HE LYS 20 3.283 -8.925 -2.133
140 HZ1 LYS 20 3HZ LYS 20 2.198 -10.844 -0.903
141 HZ2 LYS 20 1HZ LYS 20 0.968 -9.753 -0.483
142 HZ3 LYS 20 2HZ LYS 20 2.566 -9.464 0.018
143 H CYS 21 H CYS 21 5.564 -6.602 0.479
144 HA CYS 21 HA CYS 21 7.335 -5.073 -1.303
145 HB2 CYS 21 2HB CYS 21 7.869 -6.267 0.925
146 HB3 CYS 21 1HB CYS 21 7.836 -7.761 -0.013
147 H VAL 22 H VAL 22 7.739 -5.592 -3.430
148 HA VAL 22 HA VAL 22 6.623 -8.179 -4.468
149 HB VAL 22 HB VAL 22 6.910 -5.422 -5.701
150 HG11 VAL 22 1HG1 VAL 22 7.317 -7.512 -7.208
151 HG12 VAL 22 2HG1 VAL 22 6.171 -6.288 -7.756
152 HG13 VAL 22 3HG1 VAL 22 5.584 -7.781 -7.023
153 HG21 VAL 22 3HG2 VAL 22 4.811 -6.830 -4.268
154 HG22 VAL 22 1HG2 VAL 22 4.284 -6.409 -5.898
155 HG23 VAL 22 2HG2 VAL 22 4.855 -5.149 -4.804
156 H ARG 23 H ARG 23 8.635 -9.330 -4.228
157 HA ARG 23 HA ARG 23 10.811 -10.009 -4.861
158 HB2 ARG 23 2HB ARG 23 9.325 -9.920 -6.989
159 HB3 ARG 23 1HB ARG 23 10.228 -8.456 -7.383
160 HG2 ARG 23 2HG ARG 23 11.837 -10.817 -6.560
161 HG3 ARG 23 1HG ARG 23 11.049 -10.916 -8.134
162 HD2 ARG 23 2HD ARG 23 12.832 -8.624 -7.231
163 HD3 ARG 23 1HD ARG 23 13.313 -9.921 -8.343
164 HE ARG 23 HE ARG 23 10.839 -8.694 -9.199
165 HH11 ARG 23 1HH2 ARG 23 14.269 -8.307 -9.060
166 HH12 ARG 23 2HH2 ARG 23 14.342 -7.298 -10.465
167 HH21 ARG 23 1HH1 ARG 23 10.922 -7.379 -11.032
168 HH22 ARG 23 2HH1 ARG 23 12.450 -6.774 -11.581
169 H GLY 24 H GLY 24 11.826 -8.520 -3.282
170 HA2 GLY 24 2HA GLY 24 13.271 -6.768 -2.679
171 HA3 GLY 24 1HA GLY 24 13.897 -6.935 -4.321
172 H SER 25 H SER 25 10.545 -6.151 -3.913
173 HA SER 25 HA SER 25 11.114 -3.262 -4.466
174 HB2 SER 25 2HB SER 25 8.926 -4.762 -5.878
175 HB3 SER 25 1HB SER 25 9.794 -3.320 -6.398
176 HG SER 25 HG SER 25 10.314 -5.862 -6.964
177 H CYS 26 H CYS 26 8.410 -2.506 -4.754
178 HA CYS 26 HA CYS 26 6.802 -3.595 -2.576
179 HB2 CYS 26 2HB CYS 26 8.857 -1.783 -1.954
180 HB3 CYS 26 1HB CYS 26 7.373 -0.829 -1.904
181 H GLN 27 H GLN 27 4.739 -3.271 -3.246
182 HA GLN 27 HA GLN 27 4.139 -0.840 -4.900
183 HB2 GLN 27 2HB GLN 27 2.985 -3.650 -4.917
184 HB3 GLN 27 1HB GLN 27 2.390 -2.325 -5.917
185 HG2 GLN 27 2HG GLN 27 5.289 -3.174 -5.956
186 HG3 GLN 27 1HG GLN 27 4.084 -3.913 -7.013
187 HE21 GLN 27 1HE2 GLN 27 5.660 -2.801 -8.680
188 HE22 GLN 27 2HE2 GLN 27 5.273 -1.208 -9.119
189 H CYS 28 H CYS 28 1.555 -0.533 -4.779
190 HA CYS 28 HA CYS 28 0.524 -1.061 -2.045
191 HB2 CYS 28 2HB CYS 28 0.919 1.698 -3.256
192 HB3 CYS 28 1HB CYS 28 0.138 1.367 -1.709
193 H ARG 29 H ARG 29 -1.811 -0.625 -1.912
194 HA ARG 29 HA ARG 29 -3.136 -0.257 -4.577
195 HB2 ARG 29 2HB ARG 29 -3.737 -2.325 -2.436
196 HB3 ARG 29 1HB ARG 29 -4.617 -2.139 -3.956
197 HG2 ARG 29 2HG ARG 29 -1.636 -2.649 -3.830
198 HG3 ARG 29 1HG ARG 29 -2.828 -3.944 -3.963
199 HD2 ARG 29 2HD ARG 29 -3.283 -1.783 -5.903
200 HD3 ARG 29 1HD ARG 29 -1.721 -2.602 -6.116
201 HE ARG 29 HE ARG 29 -3.585 -4.641 -5.631
202 HH11 ARG 29 1HH2 ARG 29 -3.072 -2.104 -7.918
203 HH12 ARG 29 2HH2 ARG 29 -3.820 -2.956 -9.225
204 HH21 ARG 29 1HH1 ARG 29 -4.566 -5.760 -7.328
205 HH22 ARG 29 2HH1 ARG 29 -4.666 -5.024 -8.892
206 H ARG 30 H ARG 30 -5.341 0.553 -4.409
207 HA ARG 30 HA ARG 30 -5.881 1.958 -1.816
208 HB2 ARG 30 2HB ARG 30 -5.455 2.980 -4.305
209 HB3 ARG 30 1HB ARG 30 -7.209 2.796 -4.333
210 HG2 ARG 30 2HG ARG 30 -6.638 3.863 -1.802
211 HG3 ARG 30 1HG ARG 30 -5.600 4.752 -2.917
212 HD2 ARG 30 2HD ARG 30 -7.837 4.830 -4.377
213 HD3 ARG 30 1HD ARG 30 -8.587 4.666 -2.777
214 HE ARG 30 HE ARG 30 -7.768 6.818 -2.228
215 HH11 ARG 30 1HH2 ARG 30 -6.187 5.497 -5.001
216 HH12 ARG 30 2HH2 ARG 30 -5.324 6.953 -5.363
217 HH21 ARG 30 1HH1 ARG 30 -6.647 8.722 -2.691
218 HH22 ARG 30 2HH1 ARG 30 -5.584 8.776 -4.057
219 H THR 31 H THR 31 -8.367 2.412 -1.612
220 HA THR 31 HA THR 31 -9.746 -0.169 -1.699
221 HB THR 31 HB THR 31 -11.549 1.802 -0.936
222 HG1 THR 31 1HG THR 31 -10.431 3.498 -0.488
223 HG21 THR 31 3HG2 THR 31 -10.168 1.167 1.384
224 HG22 THR 31 1HG2 THR 31 -9.814 -0.190 0.314
225 HG23 THR 31 2HG2 THR 31 -11.487 0.229 0.682
226 H SER 32 H SER 32 -11.393 2.835 -2.492
227 HA SER 32 HA SER 32 -11.981 1.773 -5.233
228 HB2 SER 32 2HB SER 32 -13.753 1.330 -3.464
229 HB3 SER 32 1HB SER 32 -13.959 3.074 -3.340
230 HG SER 32 HG SER 32 -14.553 3.117 -5.503
231 H GLY 33 H GLY 33 -10.035 3.711 -4.871
232 HA2 GLY 33 2HA GLY 33 -9.478 5.788 -5.843
233 HA3 GLY 33 1HA GLY 33 -11.162 5.955 -6.342
Start of MODEL 14
1 H1 ALA 1 1HT ALA 1 16.906 -0.558 0.280
2 H2 ALA 1 2HT ALA 1 16.431 -0.654 1.909
3 H3 ALA 1 3HT ALA 1 15.439 0.132 0.777
4 HA ALA 1 HA ALA 1 15.573 -2.258 -0.373
5 HB1 ALA 1 2HB ALA 1 15.614 -3.936 1.421
6 HB2 ALA 1 3HB ALA 1 15.796 -2.662 2.628
7 HB3 ALA 1 1HB ALA 1 17.090 -2.974 1.472
8 H CYS 2 H CYS 2 13.487 -3.464 -0.106
9 HA CYS 2 HA CYS 2 11.282 -1.641 0.478
10 HB2 CYS 2 2HB CYS 2 9.958 -3.461 -0.423
11 HB3 CYS 2 1HB CYS 2 11.433 -3.348 -1.380
12 H ASN 3 H ASN 3 9.368 -2.679 1.809
13 HA ASN 3 HA ASN 3 9.808 -4.540 3.908
14 HB2 ASN 3 2HB ASN 3 11.170 -2.026 4.176
15 HB3 ASN 3 1HB ASN 3 9.940 -2.134 5.436
16 HD21 ASN 3 1HD2 ASN 3 13.103 -3.103 4.626
17 HD22 ASN 3 2HD2 ASN 3 13.288 -4.325 5.790
18 H ASP 4 H ASP 4 7.830 -4.896 4.912
19 HA ASP 4 HA ASP 4 5.435 -3.730 4.002
20 HB2 ASP 4 2HB ASP 4 6.353 -5.299 6.375
21 HB3 ASP 4 1HB ASP 4 4.737 -4.596 6.444
22 H ARG 5 H ARG 5 7.539 -2.744 6.684
23 HA ARG 5 HA ARG 5 5.700 -0.708 7.685
24 HB2 ARG 5 2HB ARG 5 7.961 -2.089 8.548
25 HB3 ARG 5 1HB ARG 5 8.537 -0.434 8.344
26 HG2 ARG 5 2HG ARG 5 7.708 -0.307 10.505
27 HG3 ARG 5 1HG ARG 5 6.268 0.150 9.594
28 HD2 ARG 5 2HD ARG 5 5.381 -2.108 9.738
29 HD3 ARG 5 1HD ARG 5 6.885 -2.693 10.477
30 HE ARG 5 HE ARG 5 5.754 -0.448 11.935
31 HH11 ARG 5 1HH2 ARG 5 5.626 -3.857 11.390
32 HH12 ARG 5 2HH2 ARG 5 4.982 -4.214 12.957
33 HH21 ARG 5 1HH1 ARG 5 4.915 -0.902 13.982
34 HH22 ARG 5 2HH1 ARG 5 4.581 -2.544 14.423
35 H ASP 6 H ASP 6 8.614 -0.727 5.628
36 HA ASP 6 HA ASP 6 8.563 2.199 5.312
37 HB2 ASP 6 2HB ASP 6 10.504 0.337 5.299
38 HB3 ASP 6 1HB ASP 6 10.169 0.385 3.568
39 H CYS 7 H CYS 7 7.207 -0.568 3.722
40 HA CYS 7 HA CYS 7 6.838 0.805 1.136
41 HB2 CYS 7 2HB CYS 7 7.310 -1.687 1.577
42 HB3 CYS 7 1HB CYS 7 5.631 -1.797 2.103
43 H SER 8 H SER 8 5.016 0.124 4.069
44 HA SER 8 HA SER 8 2.466 1.008 2.841
45 HB2 SER 8 2HB SER 8 2.258 -0.835 4.303
46 HB3 SER 8 1HB SER 8 3.383 -0.149 5.470
47 HG SER 8 HG SER 8 1.726 0.734 6.390
48 H LEU 9 H LEU 9 4.915 2.150 5.133
49 HA LEU 9 HA LEU 9 3.539 4.337 6.289
50 HB2 LEU 9 2HB LEU 9 6.303 3.429 5.820
51 HB3 LEU 9 1HB LEU 9 6.151 5.175 6.011
52 HG LEU 9 HG LEU 9 4.682 3.409 7.927
53 HD11 LEU 9 1HD1 LEU 9 7.537 3.316 7.518
54 HD12 LEU 9 2HD1 LEU 9 6.561 2.432 8.692
55 HD13 LEU 9 3HD1 LEU 9 7.186 4.031 9.091
56 HD21 LEU 9 3HD2 LEU 9 5.975 5.524 9.220
57 HD22 LEU 9 1HD2 LEU 9 4.286 5.493 8.713
58 HD23 LEU 9 2HD2 LEU 9 5.512 6.194 7.656
59 H ASP 10 H ASP 10 5.728 4.420 3.441
60 HA ASP 10 HA ASP 10 5.090 7.134 2.728
61 HB2 ASP 10 2HB ASP 10 6.844 5.071 1.972
62 HB3 ASP 10 1HB ASP 10 5.907 5.426 0.519
63 H CYS 11 H CYS 11 3.784 3.986 1.695
64 HA CYS 11 HA CYS 11 2.096 5.012 -0.406
65 HB2 CYS 11 2HB CYS 11 2.180 2.523 1.307
66 HB3 CYS 11 1HB CYS 11 0.947 2.744 0.065
67 H ILE 12 H ILE 12 1.472 4.217 3.027
68 HA ILE 12 HA ILE 12 -1.317 4.862 3.022
69 HB ILE 12 HB ILE 12 0.879 4.773 5.098
70 HG12 ILE 12 2HG1 ILE 12 -1.514 3.015 4.466
71 HG13 ILE 12 1HG1 ILE 12 0.177 2.634 4.132
72 HG21 ILE 12 1HG2 ILE 12 -0.441 5.932 6.510
73 HG22 ILE 12 2HG2 ILE 12 -1.617 4.623 6.392
74 HG23 ILE 12 3HG2 ILE 12 -1.732 6.012 5.311
75 HD11 ILE 12 3HD1 ILE 12 -0.905 3.176 6.910
76 HD12 ILE 12 1HD1 ILE 12 0.700 2.577 6.493
77 HD13 ILE 12 2HD1 ILE 12 -0.716 1.559 6.229
78 H MET 13 H MET 13 1.579 6.830 3.700
79 HA MET 13 HA MET 13 0.144 9.223 4.438
80 HB2 MET 13 2HB MET 13 2.751 8.273 4.420
81 HB3 MET 13 1HB MET 13 2.787 9.548 3.201
82 HG2 MET 13 2HG MET 13 2.122 11.205 4.734
83 HG3 MET 13 1HG MET 13 1.484 10.021 5.876
84 HE1 MET 13 3HE MET 13 2.948 12.256 6.815
85 HE2 MET 13 1HE MET 13 4.217 12.526 5.612
86 HE3 MET 13 2HE MET 13 4.644 12.089 7.265
87 H LYS 14 H LYS 14 1.351 7.926 1.364
88 HA LYS 14 HA LYS 14 0.952 10.287 -0.225
89 HB2 LYS 14 2HB LYS 14 1.202 7.325 -0.670
90 HB3 LYS 14 1HB LYS 14 0.777 8.367 -2.028
91 HG2 LYS 14 2HG LYS 14 2.901 9.660 -0.678
92 HG3 LYS 14 1HG LYS 14 3.360 7.961 -0.807
93 HD2 LYS 14 2HD LYS 14 3.757 8.177 -3.011
94 HD3 LYS 14 1HD LYS 14 2.149 8.852 -3.277
95 HE2 LYS 14 2HE LYS 14 3.379 10.983 -2.097
96 HE3 LYS 14 1HE LYS 14 4.743 10.251 -2.967
97 HZ1 LYS 14 3HZ LYS 14 2.243 11.348 -4.019
98 HZ2 LYS 14 1HZ LYS 14 2.878 9.982 -4.797
99 HZ3 LYS 14 2HZ LYS 14 3.809 11.398 -4.676
100 H GLY 15 H GLY 15 -1.069 7.332 0.017
101 HA2 GLY 15 2HA GLY 15 -3.558 8.403 0.451
102 HA3 GLY 15 1HA GLY 15 -3.320 8.681 -1.275
103 H TYR 16 H TYR 16 -2.107 5.891 0.552
104 HA TYR 16 HA TYR 16 -3.823 4.148 -1.177
105 HB2 TYR 16 2HB TYR 16 -1.082 3.891 0.073
106 HB3 TYR 16 1HB TYR 16 -1.940 2.495 -0.569
107 HD1 TYR 16 1HD TYR 16 -0.833 5.944 -1.503
108 HD2 TYR 16 2HD TYR 16 -1.829 1.992 -2.861
109 HE1 TYR 16 1HE TYR 16 -0.096 6.545 -3.794
110 HE2 TYR 16 2HE TYR 16 -1.093 2.592 -5.152
111 HH TYR 16 HH TYR 16 -0.484 5.812 -6.100
112 H ASN 17 H ASN 17 -3.804 1.812 0.116
113 HA ASN 17 HA ASN 17 -4.813 2.411 2.879
114 HB2 ASN 17 2HB ASN 17 -6.323 0.381 2.320
115 HB3 ASN 17 1HB ASN 17 -6.684 1.901 1.505
116 HD21 ASN 17 1HD2 ASN 17 -7.637 0.710 -0.329
117 HD22 ASN 17 2HD2 ASN 17 -6.645 -0.092 -1.450
118 H PHE 18 H PHE 18 -3.134 0.118 0.764
119 HA PHE 18 HA PHE 18 -1.544 -0.887 3.002
120 HB2 PHE 18 2HB PHE 18 -2.444 -3.290 2.451
121 HB3 PHE 18 1HB PHE 18 -3.390 -2.245 3.509
122 HD1 PHE 18 1HD PHE 18 -3.000 -3.245 -0.076
123 HD2 PHE 18 2HD PHE 18 -5.611 -1.697 2.962
124 HE1 PHE 18 1HE PHE 18 -4.913 -3.391 -1.646
125 HE2 PHE 18 2HE PHE 18 -7.525 -1.841 1.392
126 HZ PHE 18 HZ PHE 18 -7.176 -2.689 -0.913
127 H GLY 19 H GLY 19 0.212 -2.233 2.239
128 HA2 GLY 19 2HA GLY 19 0.387 -2.839 -0.634
129 HA3 GLY 19 1HA GLY 19 1.521 -1.618 -0.059
130 H LYS 20 H LYS 20 3.176 -3.263 -0.717
131 HA LYS 20 HA LYS 20 4.245 -4.655 1.543
132 HB2 LYS 20 2HB LYS 20 3.759 -6.992 0.663
133 HB3 LYS 20 1HB LYS 20 2.351 -6.126 1.280
134 HG2 LYS 20 2HG LYS 20 2.640 -5.425 -1.465
135 HG3 LYS 20 1HG LYS 20 2.774 -7.180 -1.353
136 HD2 LYS 20 2HD LYS 20 0.604 -7.433 -0.711
137 HD3 LYS 20 1HD LYS 20 0.637 -5.992 0.306
138 HE2 LYS 20 2HE LYS 20 -0.137 -4.643 -1.372
139 HE3 LYS 20 1HE LYS 20 0.832 -5.471 -2.609
140 HZ1 LYS 20 3HZ LYS 20 -1.305 -6.186 -3.084
141 HZ2 LYS 20 1HZ LYS 20 -1.763 -6.269 -1.454
142 HZ3 LYS 20 2HZ LYS 20 -0.719 -7.443 -2.103
143 H CYS 21 H CYS 21 6.148 -6.036 0.878
144 HA CYS 21 HA CYS 21 7.528 -4.823 -1.413
145 HB2 CYS 21 2HB CYS 21 8.674 -5.215 0.707
146 HB3 CYS 21 1HB CYS 21 8.264 -6.929 0.644
147 H VAL 22 H VAL 22 8.142 -5.945 -3.312
148 HA VAL 22 HA VAL 22 7.163 -8.758 -3.608
149 HB VAL 22 HB VAL 22 6.660 -6.399 -5.452
150 HG11 VAL 22 1HG1 VAL 22 5.093 -8.370 -6.410
151 HG12 VAL 22 2HG1 VAL 22 6.419 -9.349 -5.785
152 HG13 VAL 22 3HG1 VAL 22 6.735 -8.102 -6.992
153 HG21 VAL 22 3HG2 VAL 22 4.228 -7.435 -4.836
154 HG22 VAL 22 1HG2 VAL 22 4.978 -6.131 -3.916
155 HG23 VAL 22 2HG2 VAL 22 5.097 -7.796 -3.345
156 H ARG 23 H ARG 23 8.783 -10.000 -4.455
157 HA ARG 23 HA ARG 23 10.914 -10.512 -5.373
158 HB2 ARG 23 2HB ARG 23 9.054 -9.391 -7.213
159 HB3 ARG 23 1HB ARG 23 10.647 -8.771 -7.647
160 HG2 ARG 23 2HG ARG 23 11.540 -10.936 -7.954
161 HG3 ARG 23 1HG ARG 23 10.225 -11.698 -7.057
162 HD2 ARG 23 2HD ARG 23 9.519 -12.149 -9.227
163 HD3 ARG 23 1HD ARG 23 8.765 -10.557 -9.010
164 HE ARG 23 HE ARG 23 11.317 -9.937 -9.864
165 HH11 ARG 23 1HH2 ARG 23 8.780 -11.995 -10.989
166 HH12 ARG 23 2HH2 ARG 23 9.209 -11.828 -12.658
167 HH21 ARG 23 1HH1 ARG 23 11.884 -9.711 -12.036
168 HH22 ARG 23 2HH1 ARG 23 10.965 -10.535 -13.250
169 H GLY 24 H GLY 24 11.027 -8.338 -3.462
170 HA2 GLY 24 2HA GLY 24 12.766 -6.891 -2.763
171 HA3 GLY 24 1HA GLY 24 13.521 -7.087 -4.347
172 H SER 25 H SER 25 10.160 -6.144 -3.930
173 HA SER 25 HA SER 25 10.875 -3.380 -4.853
174 HB2 SER 25 2HB SER 25 8.573 -5.158 -5.723
175 HB3 SER 25 1HB SER 25 8.896 -3.532 -6.321
176 HG SER 25 HG SER 25 11.107 -4.591 -6.749
177 H CYS 26 H CYS 26 8.296 -2.330 -4.814
178 HA CYS 26 HA CYS 26 7.087 -2.921 -2.175
179 HB2 CYS 26 2HB CYS 26 8.842 -1.432 -1.529
180 HB3 CYS 26 1HB CYS 26 8.574 -0.394 -2.929
181 H GLN 27 H GLN 27 5.100 -3.315 -3.250
182 HA GLN 27 HA GLN 27 4.001 -1.096 -4.927
183 HB2 GLN 27 2HB GLN 27 3.462 -4.056 -4.637
184 HB3 GLN 27 1HB GLN 27 2.359 -2.996 -5.516
185 HG2 GLN 27 2HG GLN 27 5.293 -2.926 -6.148
186 HG3 GLN 27 1HG GLN 27 4.287 -4.209 -6.821
187 HE21 GLN 27 1HE2 GLN 27 4.018 -3.535 -8.984
188 HE22 GLN 27 2HE2 GLN 27 3.392 -2.023 -9.434
189 H CYS 28 H CYS 28 1.643 -0.650 -4.609
190 HA CYS 28 HA CYS 28 0.536 -1.361 -1.947
191 HB2 CYS 28 2HB CYS 28 1.062 1.470 -2.916
192 HB3 CYS 28 1HB CYS 28 0.250 1.042 -1.410
193 H ARG 29 H ARG 29 -1.787 -0.707 -1.809
194 HA ARG 29 HA ARG 29 -3.009 -0.337 -4.530
195 HB2 ARG 29 2HB ARG 29 -3.568 -2.182 -2.228
196 HB3 ARG 29 1HB ARG 29 -4.896 -1.715 -3.291
197 HG2 ARG 29 2HG ARG 29 -2.278 -2.790 -4.357
198 HG3 ARG 29 1HG ARG 29 -3.631 -3.844 -3.943
199 HD2 ARG 29 2HD ARG 29 -3.812 -1.519 -5.894
200 HD3 ARG 29 1HD ARG 29 -3.647 -3.223 -6.364
201 HE ARG 29 HE ARG 29 -5.793 -2.999 -4.494
202 HH11 ARG 29 1HH2 ARG 29 -4.897 -2.155 -7.723
203 HH12 ARG 29 2HH2 ARG 29 -6.522 -2.195 -8.320
204 HH21 ARG 29 1HH1 ARG 29 -7.915 -3.054 -5.263
205 HH22 ARG 29 2HH1 ARG 29 -8.228 -2.703 -6.930
206 H ARG 30 H ARG 30 -5.224 0.657 -4.416
207 HA ARG 30 HA ARG 30 -5.445 2.558 -2.103
208 HB2 ARG 30 2HB ARG 30 -6.276 2.903 -5.005
209 HB3 ARG 30 1HB ARG 30 -6.322 4.145 -3.751
210 HG2 ARG 30 2HG ARG 30 -3.790 3.679 -3.476
211 HG3 ARG 30 1HG ARG 30 -3.911 2.870 -5.039
212 HD2 ARG 30 2HD ARG 30 -3.288 5.168 -5.483
213 HD3 ARG 30 1HD ARG 30 -5.002 5.016 -5.918
214 HE ARG 30 HE ARG 30 -4.595 5.736 -3.118
215 HH11 ARG 30 1HH2 ARG 30 -4.865 6.845 -6.378
216 HH12 ARG 30 2HH2 ARG 30 -5.405 8.428 -5.930
217 HH21 ARG 30 1HH1 ARG 30 -5.301 7.796 -2.524
218 HH22 ARG 30 2HH1 ARG 30 -5.652 8.966 -3.752
219 H THR 31 H THR 31 -7.698 3.179 -1.573
220 HA THR 31 HA THR 31 -9.501 0.887 -1.602
221 HB THR 31 HB THR 31 -10.876 2.370 -0.226
222 HG1 THR 31 1HG THR 31 -9.083 4.473 -0.596
223 HG21 THR 31 3HG2 THR 31 -9.069 3.156 1.402
224 HG22 THR 31 1HG2 THR 31 -7.896 2.551 0.233
225 HG23 THR 31 2HG2 THR 31 -9.045 1.443 0.984
226 H SER 32 H SER 32 -11.991 1.762 -2.032
227 HA SER 32 HA SER 32 -12.015 2.396 -4.930
228 HB2 SER 32 2HB SER 32 -13.967 1.328 -2.890
229 HB3 SER 32 1HB SER 32 -14.508 1.817 -4.494
230 HG SER 32 HG SER 32 -13.962 -0.372 -4.493
231 H GLY 33 H GLY 33 -11.492 4.708 -4.689
232 HA2 GLY 33 2HA GLY 33 -12.043 6.975 -4.406
233 HA3 GLY 33 1HA GLY 33 -13.693 6.448 -4.739
Start of MODEL 15
1 H1 ALA 1 1HT ALA 1 17.046 -3.143 0.042
2 H2 ALA 1 2HT ALA 1 15.934 -2.031 -0.604
3 H3 ALA 1 3HT ALA 1 15.525 -3.676 -0.486
4 HA ALA 1 HA ALA 1 15.600 -3.538 1.945
5 HB1 ALA 1 2HB ALA 1 15.656 -0.707 2.206
6 HB2 ALA 1 3HB ALA 1 16.995 -1.148 1.149
7 HB3 ALA 1 1HB ALA 1 16.872 -1.858 2.757
8 H CYS 2 H CYS 2 13.476 -4.085 0.656
9 HA CYS 2 HA CYS 2 11.567 -1.798 0.607
10 HB2 CYS 2 2HB CYS 2 10.216 -3.319 -0.716
11 HB3 CYS 2 1HB CYS 2 11.873 -3.413 -1.312
12 H ASN 3 H ASN 3 12.307 -2.498 3.211
13 HA ASN 3 HA ASN 3 11.017 -4.480 4.634
14 HB2 ASN 3 2HB ASN 3 11.885 -1.710 5.061
15 HB3 ASN 3 1HB ASN 3 10.590 -2.198 6.155
16 HD21 ASN 3 1HD2 ASN 3 13.764 -1.928 6.327
17 HD22 ASN 3 2HD2 ASN 3 14.190 -3.336 7.172
18 H ASP 4 H ASP 4 8.901 -4.763 5.515
19 HA ASP 4 HA ASP 4 6.700 -3.890 3.870
20 HB2 ASP 4 2HB ASP 4 6.749 -5.078 6.665
21 HB3 ASP 4 1HB ASP 4 5.388 -5.115 5.544
22 H ARG 5 H ARG 5 8.058 -2.755 6.939
23 HA ARG 5 HA ARG 5 5.869 -0.975 7.604
24 HB2 ARG 5 2HB ARG 5 8.788 -0.846 8.418
25 HB3 ARG 5 1HB ARG 5 7.404 -0.234 9.323
26 HG2 ARG 5 2HG ARG 5 6.836 -2.946 8.802
27 HG3 ARG 5 1HG ARG 5 8.524 -2.899 9.311
28 HD2 ARG 5 2HD ARG 5 7.510 -2.981 11.399
29 HD3 ARG 5 1HD ARG 5 7.491 -1.223 11.156
30 HE ARG 5 HE ARG 5 5.189 -2.213 9.875
31 HH11 ARG 5 1HH2 ARG 5 6.573 -2.118 13.039
32 HH12 ARG 5 2HH2 ARG 5 5.042 -2.111 13.848
33 HH21 ARG 5 1HH1 ARG 5 3.189 -2.203 10.920
34 HH22 ARG 5 2HH1 ARG 5 3.130 -2.158 12.650
35 H ASP 6 H ASP 6 9.013 -0.538 5.969
36 HA ASP 6 HA ASP 6 8.597 2.332 5.569
37 HB2 ASP 6 2HB ASP 6 10.670 0.349 5.354
38 HB3 ASP 6 1HB ASP 6 10.583 1.249 3.840
39 H CYS 7 H CYS 7 7.102 -0.272 4.211
40 HA CYS 7 HA CYS 7 7.029 0.902 1.457
41 HB2 CYS 7 2HB CYS 7 7.677 -1.545 2.030
42 HB3 CYS 7 1HB CYS 7 5.958 -1.778 2.349
43 H SER 8 H SER 8 5.049 0.018 4.245
44 HA SER 8 HA SER 8 2.546 0.731 2.821
45 HB2 SER 8 2HB SER 8 2.001 -1.011 4.185
46 HB3 SER 8 1HB SER 8 3.411 -0.757 5.208
47 HG SER 8 HG SER 8 0.830 0.159 5.464
48 H LEU 9 H LEU 9 4.478 1.833 5.620
49 HA LEU 9 HA LEU 9 2.828 3.952 6.498
50 HB2 LEU 9 2HB LEU 9 5.821 3.506 6.430
51 HB3 LEU 9 1HB LEU 9 5.090 4.867 7.280
52 HG LEU 9 HG LEU 9 4.172 2.037 7.777
53 HD11 LEU 9 1HD1 LEU 9 6.734 2.541 8.156
54 HD12 LEU 9 2HD1 LEU 9 5.811 1.692 9.397
55 HD13 LEU 9 3HD1 LEU 9 6.145 3.414 9.572
56 HD21 LEU 9 3HD2 LEU 9 3.766 4.739 8.953
57 HD22 LEU 9 1HD2 LEU 9 3.902 3.403 10.097
58 HD23 LEU 9 2HD2 LEU 9 2.651 3.377 8.855
59 H ASP 10 H ASP 10 5.512 4.072 4.121
60 HA ASP 10 HA ASP 10 5.216 6.845 3.462
61 HB2 ASP 10 2HB ASP 10 7.178 5.363 3.010
62 HB3 ASP 10 1HB ASP 10 6.226 4.525 1.784
63 H CYS 11 H CYS 11 3.937 3.899 1.877
64 HA CYS 11 HA CYS 11 2.557 5.274 -0.234
65 HB2 CYS 11 2HB CYS 11 3.187 2.704 0.415
66 HB3 CYS 11 1HB CYS 11 1.467 2.723 0.810
67 H ILE 12 H ILE 12 1.643 4.399 3.077
68 HA ILE 12 HA ILE 12 -1.172 4.891 2.854
69 HB ILE 12 HB ILE 12 0.892 4.918 5.056
70 HG12 ILE 12 2HG1 ILE 12 -1.576 3.202 4.767
71 HG13 ILE 12 1HG1 ILE 12 -0.084 2.813 3.908
72 HG21 ILE 12 1HG2 ILE 12 -1.859 6.014 5.114
73 HG22 ILE 12 2HG2 ILE 12 -0.495 6.340 6.182
74 HG23 ILE 12 3HG2 ILE 12 -1.471 4.890 6.416
75 HD11 ILE 12 3HD1 ILE 12 1.115 2.451 5.899
76 HD12 ILE 12 1HD1 ILE 12 -0.465 1.752 6.253
77 HD13 ILE 12 2HD1 ILE 12 -0.050 3.351 6.871
78 H MET 13 H MET 13 1.588 7.016 3.585
79 HA MET 13 HA MET 13 -0.005 9.378 4.111
80 HB2 MET 13 2HB MET 13 2.272 9.099 4.940
81 HB3 MET 13 1HB MET 13 2.882 8.909 3.296
82 HG2 MET 13 2HG MET 13 1.579 11.297 3.087
83 HG3 MET 13 1HG MET 13 2.140 11.369 4.757
84 HE1 MET 13 3HE MET 13 5.427 9.598 4.067
85 HE2 MET 13 1HE MET 13 4.170 10.028 5.236
86 HE3 MET 13 2HE MET 13 5.558 11.087 5.000
87 H LYS 14 H LYS 14 1.293 7.828 1.241
88 HA LYS 14 HA LYS 14 1.148 10.020 -0.593
89 HB2 LYS 14 2HB LYS 14 0.881 7.011 -0.862
90 HB3 LYS 14 1HB LYS 14 0.998 8.094 -2.248
91 HG2 LYS 14 2HG LYS 14 3.065 8.762 -0.367
92 HG3 LYS 14 1HG LYS 14 3.126 7.029 -0.699
93 HD2 LYS 14 2HD LYS 14 4.494 8.156 -2.350
94 HD3 LYS 14 1HD LYS 14 3.039 7.564 -3.153
95 HE2 LYS 14 2HE LYS 14 2.016 9.862 -2.786
96 HE3 LYS 14 1HE LYS 14 3.626 10.408 -2.278
97 HZ1 LYS 14 3HZ LYS 14 2.945 10.479 -4.789
98 HZ2 LYS 14 1HZ LYS 14 3.376 8.838 -4.745
99 HZ3 LYS 14 2HZ LYS 14 4.518 10.027 -4.335
100 H GLY 15 H GLY 15 -1.284 7.683 0.533
101 HA2 GLY 15 2HA GLY 15 -3.606 8.844 0.561
102 HA3 GLY 15 1HA GLY 15 -3.315 9.067 -1.163
103 H TYR 16 H TYR 16 -1.904 6.168 -0.338
104 HA TYR 16 HA TYR 16 -4.107 4.655 -1.580
105 HB2 TYR 16 2HB TYR 16 -1.293 4.052 -0.640
106 HB3 TYR 16 1HB TYR 16 -2.355 2.802 -1.283
107 HD1 TYR 16 2HD TYR 16 -1.228 6.282 -2.138
108 HD2 TYR 16 1HD TYR 16 -2.250 2.360 -3.564
109 HE1 TYR 16 2HE TYR 16 -0.646 6.968 -4.448
110 HE2 TYR 16 1HE TYR 16 -1.667 3.047 -5.874
111 HH TYR 16 HH TYR 16 -0.904 6.387 -6.658
112 H ASN 17 H ASN 17 -3.978 2.217 -0.340
113 HA ASN 17 HA ASN 17 -4.963 2.818 2.428
114 HB2 ASN 17 2HB ASN 17 -6.033 1.442 0.151
115 HB3 ASN 17 1HB ASN 17 -5.803 0.267 1.446
116 HD21 ASN 17 1HD2 ASN 17 -7.115 0.472 3.356
117 HD22 ASN 17 2HD2 ASN 17 -8.379 1.597 3.477
118 H PHE 18 H PHE 18 -3.662 -0.002 0.625
119 HA PHE 18 HA PHE 18 -1.654 -0.399 2.791
120 HB2 PHE 18 2HB PHE 18 -2.386 -2.886 2.673
121 HB3 PHE 18 1HB PHE 18 -3.429 -1.769 3.554
122 HD1 PHE 18 2HD PHE 18 -2.935 -3.393 0.227
123 HD2 PHE 18 1HD PHE 18 -5.674 -1.433 2.894
124 HE1 PHE 18 2HE PHE 18 -4.818 -3.965 -1.283
125 HE2 PHE 18 1HE PHE 18 -7.555 -2.004 1.382
126 HZ PHE 18 HZ PHE 18 -7.127 -3.269 -0.707
127 H GLY 19 H GLY 19 0.181 -1.630 2.080
128 HA2 GLY 19 2HA GLY 19 0.213 -2.582 -0.720
129 HA3 GLY 19 1HA GLY 19 1.331 -1.278 -0.321
130 H LYS 20 H LYS 20 2.973 -2.970 -0.935
131 HA LYS 20 HA LYS 20 4.202 -4.101 1.404
132 HB2 LYS 20 2HB LYS 20 3.773 -6.507 0.801
133 HB3 LYS 20 1HB LYS 20 2.313 -5.639 1.281
134 HG2 LYS 20 2HG LYS 20 2.335 -5.135 -1.395
135 HG3 LYS 20 1HG LYS 20 3.072 -6.737 -1.361
136 HD2 LYS 20 2HD LYS 20 1.132 -7.741 -0.760
137 HD3 LYS 20 1HD LYS 20 0.746 -6.484 0.415
138 HE2 LYS 20 2HE LYS 20 0.571 -5.691 -2.451
139 HE3 LYS 20 1HE LYS 20 -0.683 -6.795 -1.850
140 HZ1 LYS 20 3HZ LYS 20 -0.822 -4.184 -1.481
141 HZ2 LYS 20 1HZ LYS 20 0.092 -4.585 -0.110
142 HZ3 LYS 20 2HZ LYS 20 -1.434 -5.293 -0.349
143 H CYS 21 H CYS 21 5.955 -5.815 0.595
144 HA CYS 21 HA CYS 21 7.404 -4.521 -1.611
145 HB2 CYS 21 2HB CYS 21 8.465 -5.268 0.504
146 HB3 CYS 21 1HB CYS 21 8.017 -6.933 0.130
147 H VAL 22 H VAL 22 8.070 -5.648 -3.546
148 HA VAL 22 HA VAL 22 6.482 -8.119 -4.167
149 HB VAL 22 HB VAL 22 7.132 -5.754 -5.956
150 HG11 VAL 22 1HG1 VAL 22 4.964 -7.453 -6.820
151 HG12 VAL 22 2HG1 VAL 22 6.417 -8.421 -6.573
152 HG13 VAL 22 3HG1 VAL 22 6.452 -7.043 -7.674
153 HG21 VAL 22 3HG2 VAL 22 4.554 -5.534 -5.807
154 HG22 VAL 22 1HG2 VAL 22 5.501 -4.982 -4.426
155 HG23 VAL 22 2HG2 VAL 22 4.690 -6.547 -4.371
156 H ARG 23 H ARG 23 8.737 -8.974 -3.372
157 HA ARG 23 HA ARG 23 10.690 -10.141 -4.026
158 HB2 ARG 23 2HB ARG 23 8.986 -10.277 -6.095
159 HB3 ARG 23 1HB ARG 23 10.251 -9.315 -6.862
160 HG2 ARG 23 2HG ARG 23 11.719 -11.255 -5.583
161 HG3 ARG 23 1HG ARG 23 10.276 -12.149 -6.066
162 HD2 ARG 23 2HD ARG 23 11.312 -10.355 -8.168
163 HD3 ARG 23 1HD ARG 23 12.412 -11.676 -7.729
164 HE ARG 23 HE ARG 23 9.760 -12.720 -7.905
165 HH11 ARG 23 1HH2 ARG 23 12.305 -11.416 -9.843
166 HH12 ARG 23 2HH2 ARG 23 11.861 -12.310 -11.258
167 HH21 ARG 23 1HH1 ARG 23 9.173 -13.890 -9.743
168 HH22 ARG 23 2HH1 ARG 23 10.089 -13.710 -11.201
169 H GLY 24 H GLY 24 11.104 -7.572 -3.074
170 HA2 GLY 24 2HA GLY 24 13.134 -6.274 -3.017
171 HA3 GLY 24 1HA GLY 24 13.449 -6.740 -4.687
172 H SER 25 H SER 25 10.223 -5.758 -4.035
173 HA SER 25 HA SER 25 10.813 -2.995 -5.039
174 HB2 SER 25 2HB SER 25 8.334 -4.282 -5.989
175 HB3 SER 25 1HB SER 25 9.532 -3.358 -6.890
176 HG SER 25 HG SER 25 9.624 -6.079 -6.097
177 H CYS 26 H CYS 26 8.223 -2.033 -5.089
178 HA CYS 26 HA CYS 26 6.975 -2.663 -2.466
179 HB2 CYS 26 2HB CYS 26 8.723 -0.427 -3.068
180 HB3 CYS 26 1HB CYS 26 7.123 0.148 -2.598
181 H GLN 27 H GLN 27 4.948 -3.148 -3.309
182 HA GLN 27 HA GLN 27 3.751 -1.246 -5.284
183 HB2 GLN 27 2HB GLN 27 3.649 -4.136 -4.707
184 HB3 GLN 27 1HB GLN 27 2.081 -3.421 -5.078
185 HG2 GLN 27 2HG GLN 27 4.516 -2.913 -6.794
186 HG3 GLN 27 1HG GLN 27 3.443 -4.283 -7.076
187 HE21 GLN 27 1HE2 GLN 27 1.060 -3.703 -7.408
188 HE22 GLN 27 2HE2 GLN 27 0.698 -2.224 -8.160
189 H CYS 28 H CYS 28 1.192 -1.252 -4.935
190 HA CYS 28 HA CYS 28 0.430 -1.197 -2.072
191 HB2 CYS 28 2HB CYS 28 0.617 1.192 -3.922
192 HB3 CYS 28 1HB CYS 28 -0.360 1.215 -2.455
193 H ARG 29 H ARG 29 -1.972 -0.772 -1.871
194 HA ARG 29 HA ARG 29 -3.482 -1.218 -4.406
195 HB2 ARG 29 2HB ARG 29 -3.243 -2.995 -1.999
196 HB3 ARG 29 1HB ARG 29 -4.764 -2.971 -2.893
197 HG2 ARG 29 2HG ARG 29 -2.209 -3.233 -4.434
198 HG3 ARG 29 1HG ARG 29 -2.824 -4.647 -3.576
199 HD2 ARG 29 2HD ARG 29 -5.066 -3.503 -4.871
200 HD3 ARG 29 1HD ARG 29 -3.757 -3.521 -6.067
201 HE ARG 29 HE ARG 29 -5.052 -5.867 -4.973
202 HH11 ARG 29 1HH2 ARG 29 -2.042 -4.531 -6.017
203 HH12 ARG 29 2HH2 ARG 29 -1.359 -6.065 -6.437
204 HH21 ARG 29 1HH1 ARG 29 -4.170 -7.873 -5.518
205 HH22 ARG 29 2HH1 ARG 29 -2.562 -7.955 -6.156
206 H ARG 30 H ARG 30 -5.338 -0.011 -4.432
207 HA ARG 30 HA ARG 30 -6.200 1.274 -1.866
208 HB2 ARG 30 2HB ARG 30 -5.848 2.104 -4.678
209 HB3 ARG 30 1HB ARG 30 -7.332 2.692 -3.928
210 HG2 ARG 30 2HG ARG 30 -5.670 3.250 -1.920
211 HG3 ARG 30 1HG ARG 30 -4.488 3.290 -3.229
212 HD2 ARG 30 2HD ARG 30 -7.091 4.859 -3.227
213 HD3 ARG 30 1HD ARG 30 -5.498 5.539 -2.835
214 HE ARG 30 HE ARG 30 -5.065 4.270 -5.249
215 HH11 ARG 30 1HH2 ARG 30 -7.360 6.561 -4.059
216 HH12 ARG 30 2HH2 ARG 30 -7.582 7.330 -5.594
217 HH21 ARG 30 1HH1 ARG 30 -5.346 5.266 -7.254
218 HH22 ARG 30 2HH1 ARG 30 -6.443 6.598 -7.401
219 H THR 31 H THR 31 -8.612 1.718 -1.787
220 HA THR 31 HA THR 31 -10.097 -0.698 -2.669
221 HB THR 31 HB THR 31 -11.797 0.292 -1.071
222 HG1 THR 31 1HG THR 31 -11.408 2.176 -0.191
223 HG21 THR 31 3HG2 THR 31 -10.410 -1.330 -0.094
224 HG22 THR 31 1HG2 THR 31 -10.179 0.067 0.956
225 HG23 THR 31 2HG2 THR 31 -8.967 -0.329 -0.261
226 H SER 32 H SER 32 -11.989 -0.543 -3.968
227 HA SER 32 HA SER 32 -12.514 2.142 -5.199
228 HB2 SER 32 2HB SER 32 -12.208 1.239 -7.286
229 HB3 SER 32 1HB SER 32 -11.228 0.071 -6.404
230 HG SER 32 HG SER 32 -12.790 -1.386 -6.567
231 H GLY 33 H GLY 33 -14.604 1.020 -6.891
232 HA2 GLY 33 2HA GLY 33 -16.580 -0.535 -5.800
233 HA3 GLY 33 1HA GLY 33 -16.775 0.986 -4.927
Start of MODEL 16
1 H1 ALA 1 1HT ALA 1 15.968 -5.493 2.154
2 H2 ALA 1 2HT ALA 1 16.324 -6.329 0.719
3 H3 ALA 1 3HT ALA 1 14.709 -6.021 1.148
4 HA ALA 1 HA ALA 1 16.646 -3.835 0.636
5 HB1 ALA 1 2HB ALA 1 16.427 -5.494 -1.253
6 HB2 ALA 1 3HB ALA 1 15.866 -3.872 -1.661
7 HB3 ALA 1 1HB ALA 1 14.699 -5.141 -1.285
8 H CYS 2 H CYS 2 13.266 -4.756 -0.046
9 HA CYS 2 HA CYS 2 12.361 -2.058 0.761
10 HB2 CYS 2 2HB CYS 2 10.249 -2.830 -0.223
11 HB3 CYS 2 1HB CYS 2 11.585 -3.227 -1.304
12 H ASN 3 H ASN 3 11.590 -1.663 2.800
13 HA ASN 3 HA ASN 3 11.200 -3.910 4.675
14 HB2 ASN 3 2HB ASN 3 12.085 -1.245 4.766
15 HB3 ASN 3 1HB ASN 3 10.552 -1.242 5.639
16 HD21 ASN 3 1HD2 ASN 3 10.495 -3.662 6.935
17 HD22 ASN 3 2HD2 ASN 3 11.834 -3.835 7.964
18 H ASP 4 H ASP 4 9.191 -4.414 5.642
19 HA ASP 4 HA ASP 4 6.805 -3.912 4.102
20 HB2 ASP 4 2HB ASP 4 5.771 -5.069 6.117
21 HB3 ASP 4 1HB ASP 4 7.096 -5.950 5.357
22 H ARG 5 H ARG 5 8.019 -2.619 7.205
23 HA ARG 5 HA ARG 5 5.681 -0.976 7.710
24 HB2 ARG 5 2HB ARG 5 7.348 -1.850 9.385
25 HB3 ARG 5 1HB ARG 5 8.526 -0.711 8.734
26 HG2 ARG 5 2HG ARG 5 7.662 0.940 9.993
27 HG3 ARG 5 1HG ARG 5 6.077 0.693 9.258
28 HD2 ARG 5 2HD ARG 5 5.307 -0.252 11.166
29 HD3 ARG 5 1HD ARG 5 6.626 -1.441 11.140
30 HE ARG 5 HE ARG 5 6.609 1.043 12.671
31 HH11 ARG 5 1HH2 ARG 5 8.506 -1.326 11.023
32 HH12 ARG 5 2HH2 ARG 5 9.939 -1.003 11.939
33 HH21 ARG 5 1HH1 ARG 5 8.473 1.473 13.870
34 HH22 ARG 5 2HH1 ARG 5 9.922 0.580 13.549
35 H ASP 6 H ASP 6 8.792 -0.460 6.091
36 HA ASP 6 HA ASP 6 8.418 2.425 5.797
37 HB2 ASP 6 2HB ASP 6 10.564 0.911 5.854
38 HB3 ASP 6 1HB ASP 6 10.237 0.695 4.134
39 H CYS 7 H CYS 7 7.163 -0.330 4.242
40 HA CYS 7 HA CYS 7 6.791 1.012 1.621
41 HB2 CYS 7 2HB CYS 7 6.355 -1.726 2.803
42 HB3 CYS 7 1HB CYS 7 5.605 -1.299 1.265
43 H SER 8 H SER 8 4.870 -0.262 4.345
44 HA SER 8 HA SER 8 2.293 0.445 3.273
45 HB2 SER 8 2HB SER 8 1.727 0.249 5.788
46 HB3 SER 8 1HB SER 8 2.424 -1.169 5.012
47 HG SER 8 HG SER 8 3.510 -0.728 6.940
48 H LEU 9 H LEU 9 4.636 2.154 5.338
49 HA LEU 9 HA LEU 9 2.961 4.405 5.976
50 HB2 LEU 9 2HB LEU 9 5.893 3.749 5.931
51 HB3 LEU 9 1HB LEU 9 5.392 5.414 6.230
52 HG LEU 9 HG LEU 9 4.287 3.056 7.771
53 HD11 LEU 9 1HD1 LEU 9 6.894 4.216 7.914
54 HD12 LEU 9 2HD1 LEU 9 6.186 2.996 8.974
55 HD13 LEU 9 3HD1 LEU 9 6.000 4.709 9.351
56 HD21 LEU 9 3HD2 LEU 9 4.117 5.300 9.337
57 HD22 LEU 9 1HD2 LEU 9 2.811 4.709 8.307
58 HD23 LEU 9 2HD2 LEU 9 3.885 5.983 7.727
59 H ASP 10 H ASP 10 4.860 3.563 3.149
60 HA ASP 10 HA ASP 10 4.990 6.245 2.030
61 HB2 ASP 10 2HB ASP 10 6.188 3.801 1.620
62 HB3 ASP 10 1HB ASP 10 5.113 3.914 0.227
63 H CYS 11 H CYS 11 2.958 3.371 1.356
64 HA CYS 11 HA CYS 11 1.363 4.616 -0.686
65 HB2 CYS 11 2HB CYS 11 0.626 2.373 1.215
66 HB3 CYS 11 1HB CYS 11 0.005 2.631 -0.415
67 H ILE 12 H ILE 12 0.822 4.155 2.821
68 HA ILE 12 HA ILE 12 -1.787 5.319 2.922
69 HB ILE 12 HB ILE 12 0.481 5.034 4.911
70 HG12 ILE 12 2HG1 ILE 12 -2.121 3.535 4.946
71 HG13 ILE 12 1HG1 ILE 12 -0.874 3.055 3.794
72 HG21 ILE 12 1HG2 ILE 12 -2.409 5.817 5.406
73 HG22 ILE 12 2HG2 ILE 12 -1.009 6.870 5.612
74 HG23 ILE 12 3HG2 ILE 12 -1.217 5.464 6.658
75 HD11 ILE 12 3HD1 ILE 12 -0.781 3.022 6.800
76 HD12 ILE 12 1HD1 ILE 12 0.714 3.139 5.873
77 HD13 ILE 12 2HD1 ILE 12 -0.347 1.746 5.663
78 H MET 13 H MET 13 1.458 6.765 3.219
79 HA MET 13 HA MET 13 0.595 9.398 3.970
80 HB2 MET 13 2HB MET 13 2.932 8.153 3.885
81 HB3 MET 13 1HB MET 13 3.021 8.879 2.281
82 HG2 MET 13 2HG MET 13 3.980 10.554 3.587
83 HG3 MET 13 1HG MET 13 2.294 11.069 3.549
84 HE1 MET 13 3HE MET 13 5.192 9.534 5.918
85 HE2 MET 13 1HE MET 13 4.769 10.854 7.016
86 HE3 MET 13 2HE MET 13 5.035 11.176 5.305
87 H LYS 14 H LYS 14 1.386 7.990 0.773
88 HA LYS 14 HA LYS 14 0.884 10.342 -0.770
89 HB2 LYS 14 2HB LYS 14 0.777 7.367 -1.325
90 HB3 LYS 14 1HB LYS 14 0.594 8.576 -2.596
91 HG2 LYS 14 2HG LYS 14 2.808 9.566 -1.563
92 HG3 LYS 14 1HG LYS 14 3.005 7.930 -0.931
93 HD2 LYS 14 2HD LYS 14 3.832 7.336 -2.939
94 HD3 LYS 14 1HD LYS 14 2.221 7.592 -3.608
95 HE2 LYS 14 2HE LYS 14 2.938 10.120 -3.687
96 HE3 LYS 14 1HE LYS 14 4.583 9.458 -3.612
97 HZ1 LYS 14 3HZ LYS 14 2.466 8.658 -5.542
98 HZ2 LYS 14 1HZ LYS 14 4.010 7.962 -5.439
99 HZ3 LYS 14 2HZ LYS 14 3.842 9.589 -5.904
100 H GLY 15 H GLY 15 -1.271 7.834 0.487
101 HA2 GLY 15 2HA GLY 15 -3.619 8.980 0.812
102 HA3 GLY 15 1HA GLY 15 -3.562 9.082 -0.948
103 H TYR 16 H TYR 16 -1.923 6.349 -0.435
104 HA TYR 16 HA TYR 16 -4.178 4.645 -1.140
105 HB2 TYR 16 2HB TYR 16 -1.269 4.115 -0.450
106 HB3 TYR 16 1HB TYR 16 -2.365 2.919 -1.136
107 HD1 TYR 16 1HD TYR 16 -3.324 3.250 -3.415
108 HD2 TYR 16 2HD TYR 16 -0.323 5.866 -1.802
109 HE1 TYR 16 1HE TYR 16 -2.865 4.127 -5.689
110 HE2 TYR 16 2HE TYR 16 0.138 6.741 -4.076
111 HH TYR 16 HH TYR 16 -0.805 5.242 -6.847
112 H ASN 17 H ASN 17 -3.884 2.321 0.211
113 HA ASN 17 HA ASN 17 -4.345 3.082 3.077
114 HB2 ASN 17 2HB ASN 17 -6.182 2.186 1.359
115 HB3 ASN 17 1HB ASN 17 -5.506 0.625 1.824
116 HD21 ASN 17 1HD2 ASN 17 -5.005 0.794 4.487
117 HD22 ASN 17 2HD2 ASN 17 -6.394 1.220 5.364
118 H PHE 18 H PHE 18 -3.154 0.489 0.918
119 HA PHE 18 HA PHE 18 -1.079 -0.208 2.888
120 HB2 PHE 18 2HB PHE 18 -2.003 -2.642 2.844
121 HB3 PHE 18 1HB PHE 18 -2.823 -1.464 3.869
122 HD1 PHE 18 2HD PHE 18 -2.897 -2.762 0.346
123 HD2 PHE 18 1HD PHE 18 -5.135 -1.231 3.677
124 HE1 PHE 18 2HE PHE 18 -5.009 -3.147 -0.897
125 HE2 PHE 18 1HE PHE 18 -7.247 -1.616 2.436
126 HZ PHE 18 HZ PHE 18 -7.183 -2.574 0.149
127 H GLY 19 H GLY 19 0.466 -1.765 1.988
128 HA2 GLY 19 2HA GLY 19 0.132 -2.427 -0.885
129 HA3 GLY 19 1HA GLY 19 1.535 -1.460 -0.425
130 H LYS 20 H LYS 20 3.046 -3.105 -0.984
131 HA LYS 20 HA LYS 20 3.666 -4.994 1.107
132 HB2 LYS 20 2HB LYS 20 3.177 -7.029 -0.374
133 HB3 LYS 20 1HB LYS 20 1.768 -6.207 0.298
134 HG2 LYS 20 2HG LYS 20 1.103 -5.385 -1.739
135 HG3 LYS 20 1HG LYS 20 2.757 -5.224 -2.331
136 HD2 LYS 20 2HD LYS 20 2.886 -7.456 -2.982
137 HD3 LYS 20 1HD LYS 20 1.641 -7.966 -1.842
138 HE2 LYS 20 2HE LYS 20 0.209 -6.247 -3.419
139 HE3 LYS 20 1HE LYS 20 1.345 -6.932 -4.598
140 HZ1 LYS 20 3HZ LYS 20 -0.678 -8.282 -2.969
141 HZ2 LYS 20 1HZ LYS 20 0.770 -9.114 -3.265
142 HZ3 LYS 20 2HZ LYS 20 -0.191 -8.595 -4.566
143 H CYS 21 H CYS 21 5.504 -6.478 0.372
144 HA CYS 21 HA CYS 21 7.342 -4.951 -1.362
145 HB2 CYS 21 2HB CYS 21 7.425 -7.067 0.706
146 HB3 CYS 21 1HB CYS 21 8.659 -7.207 -0.546
147 H VAL 22 H VAL 22 8.093 -5.679 -3.371
148 HA VAL 22 HA VAL 22 7.011 -8.287 -4.373
149 HB VAL 22 HB VAL 22 7.194 -5.663 -5.886
150 HG11 VAL 22 1HG1 VAL 22 7.277 -7.869 -7.160
151 HG12 VAL 22 2HG1 VAL 22 5.957 -6.787 -7.604
152 HG13 VAL 22 3HG1 VAL 22 5.647 -8.176 -6.561
153 HG21 VAL 22 3HG2 VAL 22 5.062 -6.882 -4.185
154 HG22 VAL 22 1HG2 VAL 22 4.557 -6.089 -5.677
155 HG23 VAL 22 2HG2 VAL 22 5.446 -5.181 -4.453
156 H ARG 23 H ARG 23 9.309 -8.929 -3.738
157 HA ARG 23 HA ARG 23 11.497 -9.506 -4.418
158 HB2 ARG 23 2HB ARG 23 9.834 -9.082 -6.757
159 HB3 ARG 23 1HB ARG 23 11.512 -8.658 -7.105
160 HG2 ARG 23 2HG ARG 23 12.298 -10.815 -6.528
161 HG3 ARG 23 1HG ARG 23 10.801 -11.228 -5.690
162 HD2 ARG 23 2HD ARG 23 10.622 -10.542 -8.603
163 HD3 ARG 23 1HD ARG 23 11.253 -12.139 -8.150
164 HE ARG 23 HE ARG 23 8.508 -11.213 -7.747
165 HH11 ARG 23 1HH2 ARG 23 11.064 -13.278 -6.678
166 HH12 ARG 23 2HH2 ARG 23 10.001 -14.422 -5.931
167 HH21 ARG 23 1HH1 ARG 23 7.114 -12.699 -6.776
168 HH22 ARG 23 2HH1 ARG 23 7.767 -14.096 -5.985
169 H GLY 24 H GLY 24 12.130 -7.586 -3.014
170 HA2 GLY 24 2HA GLY 24 13.483 -5.695 -2.699
171 HA3 GLY 24 1HA GLY 24 14.017 -5.917 -4.365
172 H SER 25 H SER 25 10.640 -5.674 -4.126
173 HA SER 25 HA SER 25 10.736 -2.736 -4.722
174 HB2 SER 25 2HB SER 25 10.297 -4.825 -6.509
175 HB3 SER 25 1HB SER 25 8.671 -4.278 -6.112
176 HG SER 25 HG SER 25 9.111 -2.759 -7.501
177 H CYS 26 H CYS 26 8.318 -1.897 -4.683
178 HA CYS 26 HA CYS 26 6.604 -3.338 -2.751
179 HB2 CYS 26 2HB CYS 26 8.474 -1.217 -2.091
180 HB3 CYS 26 1HB CYS 26 6.821 -0.733 -1.710
181 H GLN 27 H GLN 27 4.481 -2.933 -3.270
182 HA GLN 27 HA GLN 27 3.901 -0.539 -4.987
183 HB2 GLN 27 2HB GLN 27 2.928 -3.398 -4.976
184 HB3 GLN 27 1HB GLN 27 2.010 -2.127 -5.786
185 HG2 GLN 27 2HG GLN 27 4.762 -1.845 -6.516
186 HG3 GLN 27 1HG GLN 27 4.297 -3.529 -6.757
187 HE21 GLN 27 1HE2 GLN 27 2.937 -4.006 -8.534
188 HE22 GLN 27 2HE2 GLN 27 2.272 -2.825 -9.558
189 H CYS 28 H CYS 28 1.421 -0.033 -4.851
190 HA CYS 28 HA CYS 28 0.507 -0.295 -2.003
191 HB2 CYS 28 2HB CYS 28 0.244 2.083 -3.873
192 HB3 CYS 28 1HB CYS 28 -0.216 2.036 -2.172
193 H ARG 29 H ARG 29 -1.726 -0.665 -1.744
194 HA ARG 29 HA ARG 29 -3.309 -0.984 -4.276
195 HB2 ARG 29 2HB ARG 29 -3.207 -2.610 -1.720
196 HB3 ARG 29 1HB ARG 29 -4.424 -2.850 -2.974
197 HG2 ARG 29 2HG ARG 29 -1.422 -3.132 -3.286
198 HG3 ARG 29 1HG ARG 29 -2.616 -4.429 -3.347
199 HD2 ARG 29 2HD ARG 29 -3.656 -2.887 -5.273
200 HD3 ARG 29 1HD ARG 29 -1.965 -2.363 -5.408
201 HE ARG 29 HE ARG 29 -2.043 -5.213 -5.163
202 HH11 ARG 29 1HH2 ARG 29 -2.806 -2.634 -7.328
203 HH12 ARG 29 2HH2 ARG 29 -2.557 -3.585 -8.753
204 HH21 ARG 29 1HH1 ARG 29 -1.715 -6.463 -7.015
205 HH22 ARG 29 2HH1 ARG 29 -1.940 -5.749 -8.578
206 H ARG 30 H ARG 30 -5.508 -0.322 -4.171
207 HA ARG 30 HA ARG 30 -6.140 1.534 -1.929
208 HB2 ARG 30 2HB ARG 30 -6.912 1.146 -4.790
209 HB3 ARG 30 1HB ARG 30 -8.092 1.916 -3.730
210 HG2 ARG 30 2HG ARG 30 -5.899 3.285 -2.982
211 HG3 ARG 30 1HG ARG 30 -5.437 2.904 -4.641
212 HD2 ARG 30 2HD ARG 30 -8.153 3.712 -4.750
213 HD3 ARG 30 1HD ARG 30 -7.312 4.893 -3.727
214 HE ARG 30 HE ARG 30 -6.025 5.536 -5.608
215 HH11 ARG 30 1HH2 ARG 30 -7.623 2.512 -6.095
216 HH12 ARG 30 2HH2 ARG 30 -7.173 2.397 -7.764
217 HH21 ARG 30 1HH1 ARG 30 -5.433 5.394 -7.782
218 HH22 ARG 30 2HH1 ARG 30 -5.934 4.025 -8.718
219 H THR 31 H THR 31 -8.690 1.549 -1.525
220 HA THR 31 HA THR 31 -9.515 -1.295 -1.041
221 HB THR 31 HB THR 31 -10.676 0.961 0.511
222 HG1 THR 31 1HG THR 31 -8.074 0.048 1.090
223 HG21 THR 31 3HG2 THR 31 -9.610 -1.002 2.185
224 HG22 THR 31 1HG2 THR 31 -10.156 -1.891 0.762
225 HG23 THR 31 2HG2 THR 31 -11.288 -0.878 1.659
226 H SER 32 H SER 32 -10.374 1.740 -2.495
227 HA SER 32 HA SER 32 -13.194 0.834 -2.904
228 HB2 SER 32 2HB SER 32 -12.504 3.115 -1.927
229 HB3 SER 32 1HB SER 32 -11.960 3.520 -3.552
230 HG SER 32 HG SER 32 -14.537 3.088 -2.557
231 H GLY 33 H GLY 33 -13.984 0.549 -5.019
232 HA2 GLY 33 2HA GLY 33 -11.912 0.309 -7.125
233 HA3 GLY 33 1HA GLY 33 -13.540 -0.363 -7.204
Start of MODEL 17
1 H1 ALA 1 1HT ALA 1 18.028 -4.630 -0.484
2 H2 ALA 1 2HT ALA 1 17.744 -4.233 1.143
3 H3 ALA 1 3HT ALA 1 17.192 -3.207 -0.093
4 HA ALA 1 HA ALA 1 15.917 -5.389 -0.834
5 HB1 ALA 1 2HB ALA 1 15.493 -5.862 1.992
6 HB2 ALA 1 3HB ALA 1 17.206 -6.017 1.603
7 HB3 ALA 1 1HB ALA 1 16.016 -6.999 0.750
8 H CYS 2 H CYS 2 13.571 -5.237 -0.333
9 HA CYS 2 HA CYS 2 12.798 -2.472 0.336
10 HB2 CYS 2 2HB CYS 2 10.676 -3.157 -0.587
11 HB3 CYS 2 1HB CYS 2 11.930 -3.883 -1.592
12 H ASN 3 H ASN 3 11.258 -1.969 2.020
13 HA ASN 3 HA ASN 3 11.145 -4.019 4.209
14 HB2 ASN 3 2HB ASN 3 11.184 -0.984 4.317
15 HB3 ASN 3 1HB ASN 3 11.185 -2.061 5.715
16 HD21 ASN 3 1HD2 ASN 3 13.087 -3.785 5.591
17 HD22 ASN 3 2HD2 ASN 3 14.590 -3.175 5.090
18 H ASP 4 H ASP 4 9.106 -4.565 4.919
19 HA ASP 4 HA ASP 4 6.748 -3.780 3.516
20 HB2 ASP 4 2HB ASP 4 7.107 -4.922 6.308
21 HB3 ASP 4 1HB ASP 4 5.634 -5.015 5.340
22 H ARG 5 H ARG 5 8.327 -2.463 6.383
23 HA ARG 5 HA ARG 5 6.108 -0.813 7.253
24 HB2 ARG 5 2HB ARG 5 8.446 -1.668 8.308
25 HB3 ARG 5 1HB ARG 5 8.934 -0.050 7.800
26 HG2 ARG 5 2HG ARG 5 7.866 0.849 9.561
27 HG3 ARG 5 1HG ARG 5 6.350 0.117 9.035
28 HD2 ARG 5 2HD ARG 5 7.666 -2.058 10.089
29 HD3 ARG 5 1HD ARG 5 8.199 -0.750 11.165
30 HE ARG 5 HE ARG 5 5.431 -0.376 10.745
31 HH11 ARG 5 1HH2 ARG 5 7.596 -2.709 12.090
32 HH12 ARG 5 2HH2 ARG 5 6.453 -3.286 13.256
33 HH21 ARG 5 1HH1 ARG 5 3.933 -1.123 12.260
34 HH22 ARG 5 2HH1 ARG 5 4.383 -2.391 13.353
35 H ASP 6 H ASP 6 8.751 -0.413 4.958
36 HA ASP 6 HA ASP 6 8.393 2.476 4.658
37 HB2 ASP 6 2HB ASP 6 10.523 1.179 4.321
38 HB3 ASP 6 1HB ASP 6 9.791 0.438 2.895
39 H CYS 7 H CYS 7 6.817 -0.328 3.453
40 HA CYS 7 HA CYS 7 5.817 1.054 1.017
41 HB2 CYS 7 2HB CYS 7 6.568 -1.536 1.633
42 HB3 CYS 7 1HB CYS 7 4.808 -1.624 1.701
43 H SER 8 H SER 8 4.822 0.096 4.235
44 HA SER 8 HA SER 8 1.952 0.444 3.717
45 HB2 SER 8 2HB SER 8 2.349 0.431 6.445
46 HB3 SER 8 1HB SER 8 2.154 -1.012 5.456
47 HG SER 8 HG SER 8 4.162 -1.465 5.839
48 H LEU 9 H LEU 9 4.529 2.249 5.422
49 HA LEU 9 HA LEU 9 2.899 4.407 6.350
50 HB2 LEU 9 2HB LEU 9 5.680 3.638 6.150
51 HB3 LEU 9 1HB LEU 9 5.502 5.348 5.760
52 HG LEU 9 HG LEU 9 4.127 4.168 8.167
53 HD11 LEU 9 1HD1 LEU 9 6.980 4.439 7.751
54 HD12 LEU 9 2HD1 LEU 9 6.120 3.801 9.152
55 HD13 LEU 9 3HD1 LEU 9 6.439 5.531 9.026
56 HD21 LEU 9 3HD2 LEU 9 3.500 6.312 8.476
57 HD22 LEU 9 1HD2 LEU 9 4.230 6.706 6.919
58 HD23 LEU 9 2HD2 LEU 9 5.178 6.850 8.399
59 H ASP 10 H ASP 10 4.928 4.147 3.399
60 HA ASP 10 HA ASP 10 4.228 6.697 2.309
61 HB2 ASP 10 2HB ASP 10 5.546 4.198 1.521
62 HB3 ASP 10 1HB ASP 10 4.729 4.989 0.172
63 H CYS 11 H CYS 11 2.582 3.600 2.339
64 HA CYS 11 HA CYS 11 0.723 4.077 0.193
65 HB2 CYS 11 2HB CYS 11 1.265 2.169 2.319
66 HB3 CYS 11 1HB CYS 11 -0.465 2.451 2.158
67 H ILE 12 H ILE 12 0.505 4.562 3.728
68 HA ILE 12 HA ILE 12 -2.159 5.729 3.605
69 HB ILE 12 HB ILE 12 0.023 5.722 5.720
70 HG12 ILE 12 2HG1 ILE 12 -2.437 3.966 5.487
71 HG13 ILE 12 1HG1 ILE 12 -0.852 3.485 4.880
72 HG21 ILE 12 1HG2 ILE 12 -2.157 7.343 5.714
73 HG22 ILE 12 2HG2 ILE 12 -1.443 6.682 7.185
74 HG23 ILE 12 3HG2 ILE 12 -2.843 5.898 6.456
75 HD11 ILE 12 3HD1 ILE 12 -1.664 2.906 7.378
76 HD12 ILE 12 1HD1 ILE 12 -0.967 4.499 7.678
77 HD13 ILE 12 2HD1 ILE 12 0.028 3.217 6.986
78 H MET 13 H MET 13 1.156 6.984 3.636
79 HA MET 13 HA MET 13 0.474 9.748 4.107
80 HB2 MET 13 2HB MET 13 2.705 8.717 4.435
81 HB3 MET 13 1HB MET 13 2.833 8.457 2.695
82 HG2 MET 13 2HG MET 13 3.451 10.596 2.333
83 HG3 MET 13 1HG MET 13 2.134 11.217 3.327
84 HE1 MET 13 3HE MET 13 4.226 13.057 3.604
85 HE2 MET 13 1HE MET 13 5.394 11.945 2.876
86 HE3 MET 13 2HE MET 13 5.724 12.668 4.449
87 H LYS 14 H LYS 14 1.344 8.010 1.087
88 HA LYS 14 HA LYS 14 0.861 10.175 -0.697
89 HB2 LYS 14 2HB LYS 14 0.677 7.162 -1.004
90 HB3 LYS 14 1HB LYS 14 0.694 8.290 -2.360
91 HG2 LYS 14 2HG LYS 14 2.894 9.086 -1.767
92 HG3 LYS 14 1HG LYS 14 2.866 8.184 -0.250
93 HD2 LYS 14 2HD LYS 14 3.525 6.275 -1.262
94 HD3 LYS 14 1HD LYS 14 2.355 6.477 -2.568
95 HE2 LYS 14 2HE LYS 14 4.314 8.490 -2.961
96 HE3 LYS 14 1HE LYS 14 5.195 6.985 -2.624
97 HZ1 LYS 14 3HZ LYS 14 4.478 7.297 -5.002
98 HZ2 LYS 14 1HZ LYS 14 2.877 7.118 -4.469
99 HZ3 LYS 14 2HZ LYS 14 3.982 5.842 -4.278
100 H GLY 15 H GLY 15 -1.334 7.835 0.781
101 HA2 GLY 15 2HA GLY 15 -3.693 8.739 1.034
102 HA3 GLY 15 1HA GLY 15 -3.594 9.148 -0.679
103 H TYR 16 H TYR 16 -2.018 6.228 0.129
104 HA TYR 16 HA TYR 16 -4.116 4.685 -1.282
105 HB2 TYR 16 2HB TYR 16 -1.288 4.127 -0.339
106 HB3 TYR 16 1HB TYR 16 -2.276 2.950 -1.201
107 HD1 TYR 16 1HD TYR 16 -3.557 4.133 -3.337
108 HD2 TYR 16 2HD TYR 16 0.236 5.270 -1.672
109 HE1 TYR 16 1HE TYR 16 -2.923 5.178 -5.495
110 HE2 TYR 16 2HE TYR 16 0.871 6.313 -3.830
111 HH TYR 16 HH TYR 16 -0.756 5.743 -6.696
112 H ASN 17 H ASN 17 -4.250 2.288 -0.273
113 HA ASN 17 HA ASN 17 -5.087 2.666 2.564
114 HB2 ASN 17 2HB ASN 17 -5.771 0.791 0.303
115 HB3 ASN 17 1HB ASN 17 -6.225 0.404 1.960
116 HD21 ASN 17 1HD2 ASN 17 -8.110 1.386 2.760
117 HD22 ASN 17 2HD2 ASN 17 -8.931 2.653 1.986
118 H PHE 18 H PHE 18 -3.431 0.204 0.529
119 HA PHE 18 HA PHE 18 -1.635 -0.391 2.828
120 HB2 PHE 18 2HB PHE 18 -2.167 -2.832 2.502
121 HB3 PHE 18 1HB PHE 18 -3.533 -1.885 3.092
122 HD1 PHE 18 2HD PHE 18 -5.344 -1.187 1.522
123 HD2 PHE 18 1HD PHE 18 -2.192 -3.848 0.327
124 HE1 PHE 18 2HE PHE 18 -6.677 -1.876 -0.453
125 HE2 PHE 18 1HE PHE 18 -3.526 -4.539 -1.648
126 HZ PHE 18 HZ PHE 18 -5.767 -3.553 -2.038
127 H GLY 19 H GLY 19 0.220 -1.768 2.126
128 HA2 GLY 19 2HA GLY 19 0.656 -1.809 -0.821
129 HA3 GLY 19 1HA GLY 19 1.863 -1.043 0.215
130 H LYS 20 H LYS 20 3.174 -2.855 -0.910
131 HA LYS 20 HA LYS 20 3.620 -4.979 1.024
132 HB2 LYS 20 2HB LYS 20 2.955 -6.821 -0.526
133 HB3 LYS 20 1HB LYS 20 1.585 -5.806 -0.076
134 HG2 LYS 20 2HG LYS 20 1.321 -5.004 -2.191
135 HG3 LYS 20 1HG LYS 20 3.059 -4.899 -2.470
136 HD2 LYS 20 2HD LYS 20 3.090 -6.893 -3.521
137 HD3 LYS 20 1HD LYS 20 2.198 -7.666 -2.210
138 HE2 LYS 20 2HE LYS 20 0.345 -7.707 -3.510
139 HE3 LYS 20 1HE LYS 20 0.396 -5.938 -3.634
140 HZ1 LYS 20 3HZ LYS 20 0.648 -7.017 -5.811
141 HZ2 LYS 20 1HZ LYS 20 2.043 -7.807 -5.255
142 HZ3 LYS 20 2HZ LYS 20 2.024 -6.113 -5.388
143 H CYS 21 H CYS 21 5.431 -6.424 0.267
144 HA CYS 21 HA CYS 21 7.333 -4.884 -1.400
145 HB2 CYS 21 2HB CYS 21 7.362 -6.894 0.736
146 HB3 CYS 21 1HB CYS 21 8.543 -7.229 -0.530
147 H VAL 22 H VAL 22 7.991 -5.547 -3.439
148 HA VAL 22 HA VAL 22 6.697 -8.015 -4.541
149 HB VAL 22 HB VAL 22 7.797 -5.524 -5.885
150 HG11 VAL 22 1HG1 VAL 22 7.885 -7.248 -7.497
151 HG12 VAL 22 2HG1 VAL 22 6.318 -6.491 -7.786
152 HG13 VAL 22 3HG1 VAL 22 6.413 -8.009 -6.892
153 HG21 VAL 22 3HG2 VAL 22 5.768 -5.163 -4.460
154 HG22 VAL 22 1HG2 VAL 22 4.926 -6.387 -5.410
155 HG23 VAL 22 2HG2 VAL 22 5.460 -4.889 -6.174
156 H ARG 23 H ARG 23 8.598 -9.198 -3.487
157 HA ARG 23 HA ARG 23 10.690 -10.280 -3.694
158 HB2 ARG 23 2HB ARG 23 9.572 -9.693 -6.341
159 HB3 ARG 23 1HB ARG 23 11.324 -9.896 -6.371
160 HG2 ARG 23 2HG ARG 23 11.035 -12.036 -5.084
161 HG3 ARG 23 1HG ARG 23 9.291 -11.855 -5.271
162 HD2 ARG 23 2HD ARG 23 11.317 -12.106 -7.526
163 HD3 ARG 23 1HD ARG 23 10.099 -13.310 -7.057
164 HE ARG 23 HE ARG 23 8.645 -10.969 -7.459
165 HH11 ARG 23 1HH2 ARG 23 10.845 -12.917 -9.275
166 HH12 ARG 23 2HH2 ARG 23 10.128 -12.530 -10.803
167 HH21 ARG 23 1HH1 ARG 23 7.704 -10.457 -9.445
168 HH22 ARG 23 2HH1 ARG 23 8.352 -11.139 -10.900
169 H GLY 24 H GLY 24 11.047 -7.821 -2.577
170 HA2 GLY 24 2HA GLY 24 13.062 -6.571 -2.158
171 HA3 GLY 24 1HA GLY 24 13.607 -6.952 -3.792
172 H SER 25 H SER 25 10.339 -5.949 -3.597
173 HA SER 25 HA SER 25 11.120 -3.164 -4.407
174 HB2 SER 25 2HB SER 25 9.768 -5.297 -5.826
175 HB3 SER 25 1HB SER 25 8.707 -3.899 -5.679
176 HG SER 25 HG SER 25 10.367 -2.629 -6.562
177 H CYS 26 H CYS 26 8.813 -1.874 -4.484
178 HA CYS 26 HA CYS 26 7.192 -2.596 -2.087
179 HB2 CYS 26 2HB CYS 26 8.894 -1.172 -1.200
180 HB3 CYS 26 1HB CYS 26 8.802 -0.082 -2.582
181 H GLN 27 H GLN 27 5.140 -2.641 -2.922
182 HA GLN 27 HA GLN 27 4.372 -0.508 -4.889
183 HB2 GLN 27 2HB GLN 27 3.723 -3.427 -4.558
184 HB3 GLN 27 1HB GLN 27 2.582 -2.373 -5.397
185 HG2 GLN 27 2HG GLN 27 5.516 -2.689 -6.106
186 HG3 GLN 27 1HG GLN 27 4.171 -3.426 -6.979
187 HE21 GLN 27 1HE2 GLN 27 2.370 -1.627 -7.551
188 HE22 GLN 27 2HE2 GLN 27 2.995 -0.196 -8.216
189 H CYS 28 H CYS 28 2.158 0.305 -4.666
190 HA CYS 28 HA CYS 28 1.019 -0.076 -1.914
191 HB2 CYS 28 2HB CYS 28 1.914 2.272 -3.422
192 HB3 CYS 28 1HB CYS 28 0.272 2.451 -2.805
193 H ARG 29 H ARG 29 -1.142 -0.624 -1.889
194 HA ARG 29 HA ARG 29 -2.676 -0.335 -4.456
195 HB2 ARG 29 2HB ARG 29 -2.488 -2.538 -2.396
196 HB3 ARG 29 1HB ARG 29 -3.839 -2.449 -3.526
197 HG2 ARG 29 2HG ARG 29 -1.429 -2.065 -5.011
198 HG3 ARG 29 1HG ARG 29 -1.218 -3.490 -3.992
199 HD2 ARG 29 2HD ARG 29 -3.628 -3.023 -5.786
200 HD3 ARG 29 1HD ARG 29 -2.250 -4.063 -6.199
201 HE ARG 29 HE ARG 29 -3.241 -4.734 -3.583
202 HH11 ARG 29 1HH2 ARG 29 -3.931 -4.972 -6.959
203 HH12 ARG 29 2HH2 ARG 29 -4.838 -6.438 -6.802
204 HH21 ARG 29 1HH1 ARG 29 -4.423 -6.647 -3.366
205 HH22 ARG 29 2HH1 ARG 29 -5.117 -7.384 -4.772
206 H ARG 30 H ARG 30 -5.068 -0.181 -4.091
207 HA ARG 30 HA ARG 30 -5.680 1.217 -1.509
208 HB2 ARG 30 2HB ARG 30 -5.941 1.924 -4.269
209 HB3 ARG 30 1HB ARG 30 -7.562 1.789 -3.586
210 HG2 ARG 30 2HG ARG 30 -6.213 3.114 -1.588
211 HG3 ARG 30 1HG ARG 30 -5.458 3.774 -3.038
212 HD2 ARG 30 2HD ARG 30 -7.411 4.782 -3.761
213 HD3 ARG 30 1HD ARG 30 -8.444 3.545 -3.018
214 HE ARG 30 HE ARG 30 -7.071 4.857 -0.918
215 HH11 ARG 30 1HH2 ARG 30 -9.379 5.523 -3.401
216 HH12 ARG 30 2HH2 ARG 30 -10.176 6.771 -2.501
217 HH21 ARG 30 1HH1 ARG 30 -8.104 6.481 0.262
218 HH22 ARG 30 2HH1 ARG 30 -9.457 7.311 -0.431
219 H THR 31 H THR 31 -8.288 1.170 -1.287
220 HA THR 31 HA THR 31 -9.089 -1.711 -1.553
221 HB THR 31 HB THR 31 -10.315 -1.346 0.522
222 HG1 THR 31 1HG THR 31 -9.497 1.340 0.146
223 HG21 THR 31 3HG2 THR 31 -7.466 -0.405 0.402
224 HG22 THR 31 1HG2 THR 31 -8.115 -1.904 1.068
225 HG23 THR 31 2HG2 THR 31 -8.330 -0.386 1.939
226 H SER 32 H SER 32 -10.950 -2.110 -2.703
227 HA SER 32 HA SER 32 -12.810 0.178 -3.230
228 HB2 SER 32 2HB SER 32 -11.709 0.077 -5.263
229 HB3 SER 32 1HB SER 32 -11.294 -1.624 -5.067
230 HG SER 32 HG SER 32 -13.065 -0.892 -6.624
231 H GLY 33 H GLY 33 -12.931 -3.087 -4.570
232 HA2 GLY 33 2HA GLY 33 -14.638 -4.284 -2.633
233 HA3 GLY 33 1HA GLY 33 -15.650 -3.513 -3.855
Start of MODEL 18
1 H1 ALA 1 1HT ALA 1 15.776 -6.472 0.283
2 H2 ALA 1 2HT ALA 1 15.952 -7.311 1.750
3 H3 ALA 1 3HT ALA 1 16.181 -5.627 1.696
4 HA ALA 1 HA ALA 1 13.580 -6.847 0.969
5 HB1 ALA 1 2HB ALA 1 13.806 -5.758 3.664
6 HB2 ALA 1 3HB ALA 1 14.921 -7.102 3.414
7 HB3 ALA 1 1HB ALA 1 13.191 -7.328 3.147
8 H CYS 2 H CYS 2 12.045 -5.217 0.631
9 HA CYS 2 HA CYS 2 13.041 -2.488 0.284
10 HB2 CYS 2 2HB CYS 2 10.866 -2.147 -0.707
11 HB3 CYS 2 1HB CYS 2 11.403 -3.757 -1.184
12 H ASN 3 H ASN 3 12.113 -4.133 2.995
13 HA ASN 3 HA ASN 3 11.510 -3.383 5.158
14 HB2 ASN 3 2HB ASN 3 13.053 -1.490 4.158
15 HB3 ASN 3 1HB ASN 3 11.544 -0.578 4.078
16 HD21 ASN 3 1HD2 ASN 3 13.215 0.576 5.808
17 HD22 ASN 3 2HD2 ASN 3 12.873 0.181 7.422
18 H ASP 4 H ASP 4 9.347 -4.212 5.025
19 HA ASP 4 HA ASP 4 7.161 -3.053 3.645
20 HB2 ASP 4 2HB ASP 4 7.366 -4.605 6.244
21 HB3 ASP 4 1HB ASP 4 5.845 -4.305 5.404
22 H ARG 5 H ARG 5 8.525 -2.291 6.835
23 HA ARG 5 HA ARG 5 6.448 -0.571 7.774
24 HB2 ARG 5 2HB ARG 5 8.642 -1.622 8.831
25 HB3 ARG 5 1HB ARG 5 9.353 -0.082 8.346
26 HG2 ARG 5 2HG ARG 5 8.290 1.043 9.993
27 HG3 ARG 5 1HG ARG 5 6.754 0.250 9.644
28 HD2 ARG 5 2HD ARG 5 9.003 -1.161 11.107
29 HD3 ARG 5 1HD ARG 5 7.723 -0.264 11.949
30 HE ARG 5 HE ARG 5 7.390 -2.823 10.607
31 HH11 ARG 5 1HH2 ARG 5 5.915 0.193 11.420
32 HH12 ARG 5 2HH2 ARG 5 4.303 -0.435 11.374
33 HH21 ARG 5 1HH1 ARG 5 5.292 -3.652 10.544
34 HH22 ARG 5 2HH1 ARG 5 3.950 -2.610 10.879
35 H ASP 6 H ASP 6 9.585 0.333 6.278
36 HA ASP 6 HA ASP 6 8.698 3.086 5.831
37 HB2 ASP 6 2HB ASP 6 11.024 2.395 6.385
38 HB3 ASP 6 1HB ASP 6 11.114 1.530 4.851
39 H CYS 7 H CYS 7 7.764 0.344 4.336
40 HA CYS 7 HA CYS 7 7.891 1.472 1.567
41 HB2 CYS 7 2HB CYS 7 8.811 -0.767 1.882
42 HB3 CYS 7 1HB CYS 7 7.332 -1.295 2.682
43 H SER 8 H SER 8 5.684 0.283 4.075
44 HA SER 8 HA SER 8 3.322 0.793 2.356
45 HB2 SER 8 2HB SER 8 3.854 -0.428 5.066
46 HB3 SER 8 1HB SER 8 2.214 -0.103 4.516
47 HG SER 8 HG SER 8 4.165 -1.834 3.434
48 H LEU 9 H LEU 9 4.756 1.956 5.418
49 HA LEU 9 HA LEU 9 2.776 3.782 6.221
50 HB2 LEU 9 2HB LEU 9 5.691 3.389 6.537
51 HB3 LEU 9 1HB LEU 9 5.124 5.025 6.879
52 HG LEU 9 HG LEU 9 3.301 3.120 8.041
53 HD11 LEU 9 1HD1 LEU 9 6.237 2.652 8.461
54 HD12 LEU 9 2HD1 LEU 9 4.927 1.476 8.337
55 HD13 LEU 9 3HD1 LEU 9 5.128 2.423 9.812
56 HD21 LEU 9 3HD2 LEU 9 3.856 5.573 8.622
57 HD22 LEU 9 1HD2 LEU 9 5.252 4.926 9.480
58 HD23 LEU 9 2HD2 LEU 9 3.623 4.464 9.974
59 H ASP 10 H ASP 10 5.560 4.413 4.047
60 HA ASP 10 HA ASP 10 4.910 7.138 3.481
61 HB2 ASP 10 2HB ASP 10 6.939 5.397 2.948
62 HB3 ASP 10 1HB ASP 10 6.167 5.487 1.364
63 H CYS 11 H CYS 11 4.128 4.133 1.698
64 HA CYS 11 HA CYS 11 2.641 5.415 -0.401
65 HB2 CYS 11 2HB CYS 11 3.624 2.927 0.146
66 HB3 CYS 11 1HB CYS 11 1.905 2.674 0.448
67 H ILE 12 H ILE 12 1.680 4.030 2.740
68 HA ILE 12 HA ILE 12 -1.154 4.268 2.383
69 HB ILE 12 HB ILE 12 0.731 4.194 4.749
70 HG12 ILE 12 2HG1 ILE 12 -1.211 2.226 3.498
71 HG13 ILE 12 1HG1 ILE 12 0.550 2.126 3.480
72 HG21 ILE 12 1HG2 ILE 12 -1.997 5.083 4.733
73 HG22 ILE 12 2HG2 ILE 12 -0.931 4.850 6.117
74 HG23 ILE 12 3HG2 ILE 12 -1.923 3.514 5.532
75 HD11 ILE 12 3HD1 ILE 12 -0.480 0.654 5.216
76 HD12 ILE 12 1HD1 ILE 12 -1.145 2.091 5.995
77 HD13 ILE 12 2HD1 ILE 12 0.602 1.864 5.903
78 H MET 13 H MET 13 1.324 6.550 3.482
79 HA MET 13 HA MET 13 -0.542 8.574 4.410
80 HB2 MET 13 2HB MET 13 2.105 8.041 4.700
81 HB3 MET 13 1HB MET 13 2.182 9.300 3.467
82 HG2 MET 13 2HG MET 13 0.484 10.547 5.047
83 HG3 MET 13 1HG MET 13 1.136 9.465 6.277
84 HE1 MET 13 3HE MET 13 3.488 8.788 6.099
85 HE2 MET 13 1HE MET 13 4.719 9.993 6.500
86 HE3 MET 13 2HE MET 13 4.515 9.457 4.833
87 H LYS 14 H LYS 14 0.987 7.799 1.328
88 HA LYS 14 HA LYS 14 0.584 10.252 -0.053
89 HB2 LYS 14 2HB LYS 14 0.742 7.335 -0.796
90 HB3 LYS 14 1HB LYS 14 0.470 8.558 -2.039
91 HG2 LYS 14 2HG LYS 14 2.521 9.726 -0.748
92 HG3 LYS 14 1HG LYS 14 2.894 8.040 -0.389
93 HD2 LYS 14 2HD LYS 14 3.879 8.006 -2.429
94 HD3 LYS 14 1HD LYS 14 2.235 7.944 -3.068
95 HE2 LYS 14 2HE LYS 14 3.229 9.788 -4.200
96 HE3 LYS 14 1HE LYS 14 2.307 10.548 -2.886
97 HZ1 LYS 14 3HZ LYS 14 4.502 11.422 -2.790
98 HZ2 LYS 14 1HZ LYS 14 5.199 9.880 -2.907
99 HZ3 LYS 14 2HZ LYS 14 4.354 10.325 -1.500
100 H GLY 15 H GLY 15 -1.654 7.628 0.717
101 HA2 GLY 15 2HA GLY 15 -4.050 8.704 0.822
102 HA3 GLY 15 1HA GLY 15 -3.771 8.959 -0.901
103 H TYR 16 H TYR 16 -2.149 6.203 -0.374
104 HA TYR 16 HA TYR 16 -4.246 4.540 -1.531
105 HB2 TYR 16 2HB TYR 16 -1.443 4.014 -0.492
106 HB3 TYR 16 1HB TYR 16 -2.408 2.830 -1.373
107 HD1 TYR 16 1HD TYR 16 -0.649 6.074 -1.608
108 HD2 TYR 16 2HD TYR 16 -2.815 3.045 -3.751
109 HE1 TYR 16 1HE TYR 16 0.073 7.077 -3.757
110 HE2 TYR 16 2HE TYR 16 -2.092 4.049 -5.900
111 HH TYR 16 HH TYR 16 -0.499 5.482 -6.813
112 H ASN 17 H ASN 17 -4.452 2.220 -0.441
113 HA ASN 17 HA ASN 17 -5.253 2.693 2.396
114 HB2 ASN 17 2HB ASN 17 -6.842 1.911 0.549
115 HB3 ASN 17 1HB ASN 17 -5.951 0.388 0.561
116 HD21 ASN 17 1HD2 ASN 17 -8.803 1.232 1.539
117 HD22 ASN 17 2HD2 ASN 17 -8.885 0.568 3.098
118 H PHE 18 H PHE 18 -3.934 -0.027 0.454
119 HA PHE 18 HA PHE 18 -2.023 -0.591 2.681
120 HB2 PHE 18 2HB PHE 18 -2.706 -3.049 2.310
121 HB3 PHE 18 1HB PHE 18 -3.870 -2.022 3.149
122 HD1 PHE 18 2HD PHE 18 -3.069 -3.724 -0.026
123 HD2 PHE 18 1HD PHE 18 -5.936 -1.316 2.076
124 HE1 PHE 18 2HE PHE 18 -4.754 -4.198 -1.783
125 HE2 PHE 18 1HE PHE 18 -7.623 -1.789 0.320
126 HZ PHE 18 HZ PHE 18 -7.031 -3.230 -1.611
127 H GLY 19 H GLY 19 -0.246 -2.045 1.957
128 HA2 GLY 19 2HA GLY 19 0.031 -2.394 -0.969
129 HA3 GLY 19 1HA GLY 19 1.235 -1.381 -0.172
130 H LYS 20 H LYS 20 2.799 -3.051 -0.890
131 HA LYS 20 HA LYS 20 3.465 -4.890 1.220
132 HB2 LYS 20 2HB LYS 20 3.002 -6.970 -0.200
133 HB3 LYS 20 1HB LYS 20 1.578 -6.153 0.444
134 HG2 LYS 20 2HG LYS 20 1.328 -4.936 -1.710
135 HG3 LYS 20 1HG LYS 20 2.709 -5.827 -2.351
136 HD2 LYS 20 2HD LYS 20 0.853 -7.689 -1.186
137 HD3 LYS 20 1HD LYS 20 -0.008 -6.645 -2.318
138 HE2 LYS 20 2HE LYS 20 0.786 -8.295 -3.773
139 HE3 LYS 20 1HE LYS 20 2.127 -7.135 -3.847
140 HZ1 LYS 20 3HZ LYS 20 2.649 -9.575 -3.255
141 HZ2 LYS 20 1HZ LYS 20 2.032 -9.180 -1.724
142 HZ3 LYS 20 2HZ LYS 20 3.376 -8.343 -2.340
143 H CYS 21 H CYS 21 5.310 -6.387 0.457
144 HA CYS 21 HA CYS 21 7.057 -4.845 -1.379
145 HB2 CYS 21 2HB CYS 21 7.549 -5.831 1.011
146 HB3 CYS 21 1HB CYS 21 7.812 -7.336 0.131
147 H VAL 22 H VAL 22 8.168 -5.921 -3.149
148 HA VAL 22 HA VAL 22 7.180 -8.605 -3.952
149 HB VAL 22 HB VAL 22 6.835 -6.042 -5.542
150 HG11 VAL 22 1HG1 VAL 22 7.464 -8.375 -6.686
151 HG12 VAL 22 2HG1 VAL 22 6.268 -7.292 -7.399
152 HG13 VAL 22 3HG1 VAL 22 5.744 -8.675 -6.437
153 HG21 VAL 22 3HG2 VAL 22 5.014 -7.862 -4.000
154 HG22 VAL 22 1HG2 VAL 22 4.388 -7.046 -5.433
155 HG23 VAL 22 2HG2 VAL 22 5.018 -6.101 -4.084
156 H ARG 23 H ARG 23 9.370 -9.330 -3.800
157 HA ARG 23 HA ARG 23 11.605 -9.627 -4.517
158 HB2 ARG 23 2HB ARG 23 9.783 -9.377 -6.702
159 HB3 ARG 23 1HB ARG 23 11.288 -8.585 -7.171
160 HG2 ARG 23 2HG ARG 23 12.560 -10.545 -6.859
161 HG3 ARG 23 1HG ARG 23 11.313 -11.302 -5.868
162 HD2 ARG 23 2HD ARG 23 9.886 -10.982 -8.131
163 HD3 ARG 23 1HD ARG 23 11.509 -11.119 -8.837
164 HE ARG 23 HE ARG 23 10.071 -13.257 -7.491
165 HH11 ARG 23 1HH2 ARG 23 13.162 -11.851 -8.131
166 HH12 ARG 23 2HH2 ARG 23 14.023 -13.339 -7.931
167 HH21 ARG 23 1HH1 ARG 23 11.186 -15.202 -7.227
168 HH22 ARG 23 2HH1 ARG 23 12.907 -15.234 -7.420
169 H GLY 24 H GLY 24 11.830 -7.534 -3.019
170 HA2 GLY 24 2HA GLY 24 12.997 -5.529 -2.667
171 HA3 GLY 24 1HA GLY 24 13.777 -5.830 -4.219
172 H SER 25 H SER 25 10.299 -5.411 -3.680
173 HA SER 25 HA SER 25 10.451 -2.790 -5.122
174 HB2 SER 25 2HB SER 25 9.854 -4.981 -6.448
175 HB3 SER 25 1HB SER 25 8.292 -4.820 -5.649
176 HG SER 25 HG SER 25 9.468 -2.598 -6.907
177 H CYS 26 H CYS 26 8.242 -1.639 -4.934
178 HA CYS 26 HA CYS 26 6.877 -2.312 -2.356
179 HB2 CYS 26 2HB CYS 26 8.373 0.103 -3.240
180 HB3 CYS 26 1HB CYS 26 6.882 0.393 -2.351
181 H GLN 27 H GLN 27 4.903 -2.945 -3.265
182 HA GLN 27 HA GLN 27 3.648 -1.136 -5.286
183 HB2 GLN 27 2HB GLN 27 3.234 -4.007 -4.418
184 HB3 GLN 27 1HB GLN 27 2.138 -3.187 -5.530
185 HG2 GLN 27 2HG GLN 27 5.101 -3.181 -6.051
186 HG3 GLN 27 1HG GLN 27 4.121 -4.572 -6.518
187 HE21 GLN 27 1HE2 GLN 27 2.304 -4.148 -8.064
188 HE22 GLN 27 2HE2 GLN 27 2.388 -2.812 -9.107
189 H CYS 28 H CYS 28 1.255 -0.790 -4.995
190 HA CYS 28 HA CYS 28 0.301 -0.986 -2.180
191 HB2 CYS 28 2HB CYS 28 0.412 1.566 -3.820
192 HB3 CYS 28 1HB CYS 28 -0.185 1.419 -2.167
193 H ARG 29 H ARG 29 -2.047 -0.670 -2.035
194 HA ARG 29 HA ARG 29 -3.498 -0.718 -4.651
195 HB2 ARG 29 2HB ARG 29 -3.282 -2.775 -2.509
196 HB3 ARG 29 1HB ARG 29 -4.883 -2.541 -3.210
197 HG2 ARG 29 2HG ARG 29 -2.361 -3.037 -4.819
198 HG3 ARG 29 1HG ARG 29 -3.552 -4.274 -4.417
199 HD2 ARG 29 2HD ARG 29 -4.961 -2.035 -5.515
200 HD3 ARG 29 1HD ARG 29 -3.623 -2.443 -6.607
201 HE ARG 29 HE ARG 29 -4.707 -4.903 -5.850
202 HH11 ARG 29 1HH2 ARG 29 -5.813 -1.982 -7.329
203 HH12 ARG 29 2HH2 ARG 29 -7.029 -2.772 -8.276
204 HH21 ARG 29 1HH1 ARG 29 -6.290 -5.940 -7.081
205 HH22 ARG 29 2HH1 ARG 29 -7.299 -5.009 -8.138
206 H ARG 30 H ARG 30 -5.636 0.140 -4.512
207 HA ARG 30 HA ARG 30 -6.224 1.598 -1.962
208 HB2 ARG 30 2HB ARG 30 -6.018 2.376 -4.649
209 HB3 ARG 30 1HB ARG 30 -7.752 2.359 -4.321
210 HG2 ARG 30 2HG ARG 30 -6.966 3.587 -2.085
211 HG3 ARG 30 1HG ARG 30 -5.609 4.052 -3.110
212 HD2 ARG 30 2HD ARG 30 -6.889 5.480 -4.345
213 HD3 ARG 30 1HD ARG 30 -8.252 4.343 -4.404
214 HE ARG 30 HE ARG 30 -7.821 5.421 -1.733
215 HH11 ARG 30 1HH2 ARG 30 -9.230 5.939 -4.844
216 HH12 ARG 30 2HH2 ARG 30 -10.461 7.002 -4.252
217 HH21 ARG 30 1HH1 ARG 30 -9.423 6.807 -0.951
218 HH22 ARG 30 2HH1 ARG 30 -10.571 7.492 -2.051
219 H THR 31 H THR 31 -8.975 2.119 -2.926
220 HA THR 31 HA THR 31 -10.162 -0.544 -2.246
221 HB THR 31 HB THR 31 -12.120 0.986 -1.606
222 HG1 THR 31 1HG THR 31 -11.645 3.150 -1.453
223 HG21 THR 31 3HG2 THR 31 -11.033 1.696 0.494
224 HG22 THR 31 1HG2 THR 31 -9.452 1.392 -0.225
225 HG23 THR 31 2HG2 THR 31 -10.564 0.052 0.057
226 H SER 32 H SER 32 -12.671 -0.381 -3.131
227 HA SER 32 HA SER 32 -12.448 0.224 -6.064
228 HB2 SER 32 2HB SER 32 -14.067 -1.740 -6.231
229 HB3 SER 32 1HB SER 32 -12.445 -2.149 -5.681
230 HG SER 32 HG SER 32 -14.441 -1.455 -3.826
231 H GLY 33 H GLY 33 -13.342 2.334 -4.679
232 HA2 GLY 33 2HA GLY 33 -15.962 2.823 -5.635
233 HA3 GLY 33 1HA GLY 33 -16.105 2.349 -3.942
Start of MODEL 19
1 H1 ALA 1 1HT ALA 1 16.371 -4.151 3.102
2 H2 ALA 1 2HT ALA 1 16.266 -5.618 2.252
3 H3 ALA 1 3HT ALA 1 14.853 -4.818 2.752
4 HA ALA 1 HA ALA 1 16.718 -3.411 0.961
5 HB1 ALA 1 2HB ALA 1 16.534 -5.583 -0.052
6 HB2 ALA 1 3HB ALA 1 15.398 -4.540 -0.910
7 HB3 ALA 1 1HB ALA 1 14.810 -5.672 0.309
8 H CYS 2 H CYS 2 13.371 -4.372 0.439
9 HA CYS 2 HA CYS 2 12.537 -1.570 0.272
10 HB2 CYS 2 2HB CYS 2 10.470 -2.551 -0.511
11 HB3 CYS 2 1HB CYS 2 11.790 -3.501 -1.193
12 H ASN 3 H ASN 3 12.286 -4.202 2.594
13 HA ASN 3 HA ASN 3 11.482 -4.215 4.818
14 HB2 ASN 3 2HB ASN 3 12.876 -1.945 4.437
15 HB3 ASN 3 1HB ASN 3 11.293 -1.238 4.764
16 HD21 ASN 3 1HD2 ASN 3 14.076 -2.587 6.251
17 HD22 ASN 3 2HD2 ASN 3 13.442 -2.749 7.817
18 H ASP 4 H ASP 4 9.389 -4.736 5.311
19 HA ASP 4 HA ASP 4 7.133 -3.821 3.783
20 HB2 ASP 4 2HB ASP 4 7.787 -5.765 5.723
21 HB3 ASP 4 1HB ASP 4 6.474 -4.817 6.424
22 H ARG 5 H ARG 5 8.651 -2.668 6.746
23 HA ARG 5 HA ARG 5 6.473 -1.036 7.691
24 HB2 ARG 5 2HB ARG 5 8.477 -1.827 8.975
25 HB3 ARG 5 1HB ARG 5 9.469 -0.710 8.037
26 HG2 ARG 5 2HG ARG 5 8.293 1.197 8.909
27 HG3 ARG 5 1HG ARG 5 7.065 0.171 9.653
28 HD2 ARG 5 2HD ARG 5 8.649 -0.704 11.254
29 HD3 ARG 5 1HD ARG 5 10.005 0.074 10.411
30 HE ARG 5 HE ARG 5 7.907 1.953 11.182
31 HH11 ARG 5 1HH2 ARG 5 10.759 0.252 12.133
32 HH12 ARG 5 2HH2 ARG 5 11.206 1.413 13.336
33 HH21 ARG 5 1HH1 ARG 5 8.482 3.473 12.749
34 HH22 ARG 5 2HH1 ARG 5 9.918 3.235 13.685
35 H ASP 6 H ASP 6 9.337 -0.308 5.673
36 HA ASP 6 HA ASP 6 8.548 2.483 5.284
37 HB2 ASP 6 2HB ASP 6 10.649 0.603 4.193
38 HB3 ASP 6 1HB ASP 6 10.475 2.243 3.567
39 H CYS 7 H CYS 7 7.788 -0.543 3.801
40 HA CYS 7 HA CYS 7 7.111 0.569 1.169
41 HB2 CYS 7 2HB CYS 7 7.909 -1.698 1.331
42 HB3 CYS 7 1HB CYS 7 6.718 -2.088 2.572
43 H SER 8 H SER 8 5.424 -0.300 4.159
44 HA SER 8 HA SER 8 2.756 0.076 3.017
45 HB2 SER 8 2HB SER 8 2.153 -0.203 5.459
46 HB3 SER 8 1HB SER 8 3.135 -1.510 4.806
47 HG SER 8 HG SER 8 4.839 -0.802 5.914
48 H LEU 9 H LEU 9 4.768 1.863 5.393
49 HA LEU 9 HA LEU 9 3.037 4.053 5.834
50 HB2 LEU 9 2HB LEU 9 5.867 3.346 6.139
51 HB3 LEU 9 1HB LEU 9 5.617 5.077 5.908
52 HG LEU 9 HG LEU 9 3.654 3.935 7.735
53 HD11 LEU 9 1HD1 LEU 9 5.406 2.381 8.350
54 HD12 LEU 9 2HD1 LEU 9 5.322 3.623 9.600
55 HD13 LEU 9 3HD1 LEU 9 6.602 3.677 8.390
56 HD21 LEU 9 3HD2 LEU 9 4.946 6.366 7.233
57 HD22 LEU 9 1HD2 LEU 9 5.562 5.864 8.808
58 HD23 LEU 9 2HD2 LEU 9 3.825 6.037 8.555
59 H ASP 10 H ASP 10 4.975 3.257 3.046
60 HA ASP 10 HA ASP 10 5.091 5.926 1.905
61 HB2 ASP 10 2HB ASP 10 5.783 3.137 1.233
62 HB3 ASP 10 1HB ASP 10 5.374 4.136 -0.163
63 H CYS 11 H CYS 11 3.045 3.053 1.285
64 HA CYS 11 HA CYS 11 1.407 4.299 -0.729
65 HB2 CYS 11 2HB CYS 11 0.676 2.059 1.178
66 HB3 CYS 11 1HB CYS 11 0.070 2.312 -0.458
67 H ILE 12 H ILE 12 0.954 3.819 2.789
68 HA ILE 12 HA ILE 12 -1.637 5.026 2.966
69 HB ILE 12 HB ILE 12 0.678 4.581 4.861
70 HG12 ILE 12 2HG1 ILE 12 -1.823 3.299 5.513
71 HG13 ILE 12 1HG1 ILE 12 -1.420 2.977 3.827
72 HG21 ILE 12 1HG2 ILE 12 -0.318 6.372 5.963
73 HG22 ILE 12 2HG2 ILE 12 -1.271 5.030 6.595
74 HG23 ILE 12 3HG2 ILE 12 -1.913 6.031 5.292
75 HD11 ILE 12 3HD1 ILE 12 0.524 1.843 4.360
76 HD12 ILE 12 1HD1 ILE 12 -0.444 1.459 5.784
77 HD13 ILE 12 2HD1 ILE 12 0.761 2.744 5.858
78 H MET 13 H MET 13 1.625 6.376 2.915
79 HA MET 13 HA MET 13 0.851 9.040 3.796
80 HB2 MET 13 2HB MET 13 3.233 7.627 2.681
81 HB3 MET 13 1HB MET 13 3.207 9.386 2.546
82 HG2 MET 13 2HG MET 13 2.341 8.532 5.183
83 HG3 MET 13 1HG MET 13 3.940 7.895 4.806
84 HE1 MET 13 3HE MET 13 4.952 9.057 6.650
85 HE2 MET 13 1HE MET 13 5.768 10.603 6.379
86 HE3 MET 13 2HE MET 13 6.053 9.248 5.289
87 H LYS 14 H LYS 14 1.017 7.363 0.705
88 HA LYS 14 HA LYS 14 0.777 9.816 -0.890
89 HB2 LYS 14 2HB LYS 14 0.710 6.837 -1.405
90 HB3 LYS 14 1HB LYS 14 0.440 8.009 -2.696
91 HG2 LYS 14 2HG LYS 14 2.651 9.101 -1.811
92 HG3 LYS 14 1HG LYS 14 2.929 7.517 -1.081
93 HD2 LYS 14 2HD LYS 14 3.877 7.077 -3.119
94 HD3 LYS 14 1HD LYS 14 2.203 6.742 -3.566
95 HE2 LYS 14 2HE LYS 14 2.501 8.319 -5.186
96 HE3 LYS 14 1HE LYS 14 2.409 9.505 -3.869
97 HZ1 LYS 14 3HZ LYS 14 4.846 8.940 -3.487
98 HZ2 LYS 14 1HZ LYS 14 4.483 9.894 -4.842
99 HZ3 LYS 14 2HZ LYS 14 4.816 8.240 -5.036
100 H GLY 15 H GLY 15 -1.381 7.635 0.721
101 HA2 GLY 15 2HA GLY 15 -3.717 8.518 0.987
102 HA3 GLY 15 1HA GLY 15 -3.679 8.881 -0.739
103 H TYR 16 H TYR 16 -2.063 5.987 -0.100
104 HA TYR 16 HA TYR 16 -4.217 4.431 -1.359
105 HB2 TYR 16 2HB TYR 16 -1.390 3.906 -0.413
106 HB3 TYR 16 1HB TYR 16 -2.403 2.631 -1.087
107 HD1 TYR 16 2HD TYR 16 -1.120 6.068 -1.822
108 HD2 TYR 16 1HD TYR 16 -2.560 2.348 -3.414
109 HE1 TYR 16 2HE TYR 16 -0.564 6.834 -4.115
110 HE2 TYR 16 1HE TYR 16 -2.004 3.114 -5.708
111 HH TYR 16 HH TYR 16 -0.085 5.079 -6.572
112 H ASN 17 H ASN 17 -4.187 2.003 -0.207
113 HA ASN 17 HA ASN 17 -4.758 2.440 2.703
114 HB2 ASN 17 2HB ASN 17 -6.529 1.833 0.494
115 HB3 ASN 17 1HB ASN 17 -6.567 0.527 1.680
116 HD21 ASN 17 1HD2 ASN 17 -6.099 4.064 2.185
117 HD22 ASN 17 2HD2 ASN 17 -7.429 4.242 3.223
118 H PHE 18 H PHE 18 -2.959 0.751 0.475
119 HA PHE 18 HA PHE 18 -2.570 -1.505 2.396
120 HB2 PHE 18 2HB PHE 18 -2.734 -1.893 -0.597
121 HB3 PHE 18 1HB PHE 18 -2.833 -3.118 0.666
122 HD1 PHE 18 2HD PHE 18 -4.615 -0.257 -0.899
123 HD2 PHE 18 1HD PHE 18 -4.898 -3.608 1.774
124 HE1 PHE 18 2HE PHE 18 -7.081 -0.001 -0.839
125 HE2 PHE 18 1HE PHE 18 -7.363 -3.354 1.833
126 HZ PHE 18 HZ PHE 18 -8.456 -1.551 0.527
127 H GLY 19 H GLY 19 -0.480 -2.627 2.003
128 HA2 GLY 19 2HA GLY 19 1.463 -1.337 0.222
129 HA3 GLY 19 1HA GLY 19 1.780 -1.104 1.943
130 H LYS 20 H LYS 20 2.614 -3.028 -0.587
131 HA LYS 20 HA LYS 20 3.262 -5.307 1.248
132 HB2 LYS 20 2HB LYS 20 1.279 -5.445 -0.535
133 HB3 LYS 20 1HB LYS 20 2.616 -5.782 -1.635
134 HG2 LYS 20 2HG LYS 20 3.324 -7.673 -0.326
135 HG3 LYS 20 1HG LYS 20 2.207 -7.260 0.977
136 HD2 LYS 20 2HD LYS 20 1.246 -9.072 -0.332
137 HD3 LYS 20 1HD LYS 20 0.304 -7.607 -0.609
138 HE2 LYS 20 2HE LYS 20 1.335 -7.237 -2.747
139 HE3 LYS 20 1HE LYS 20 2.564 -8.478 -2.437
140 HZ1 LYS 20 3HZ LYS 20 0.571 -9.200 -3.797
141 HZ2 LYS 20 1HZ LYS 20 -0.338 -9.071 -2.372
142 HZ3 LYS 20 2HZ LYS 20 0.956 -10.170 -2.456
143 H CYS 21 H CYS 21 5.266 -6.343 0.773
144 HA CYS 21 HA CYS 21 7.074 -4.781 -1.024
145 HB2 CYS 21 2HB CYS 21 7.217 -5.993 1.608
146 HB3 CYS 21 1HB CYS 21 8.513 -6.603 0.577
147 H VAL 22 H VAL 22 7.694 -5.760 -2.916
148 HA VAL 22 HA VAL 22 7.869 -8.732 -3.024
149 HB VAL 22 HB VAL 22 6.281 -6.966 -4.916
150 HG11 VAL 22 1HG1 VAL 22 5.906 -8.831 -6.239
151 HG12 VAL 22 2HG1 VAL 22 6.170 -9.958 -4.906
152 HG13 VAL 22 3HG1 VAL 22 7.545 -9.176 -5.687
153 HG21 VAL 22 3HG2 VAL 22 4.439 -8.603 -3.978
154 HG22 VAL 22 1HG2 VAL 22 4.904 -7.181 -3.043
155 HG23 VAL 22 2HG2 VAL 22 5.555 -8.765 -2.621
156 H ARG 23 H ARG 23 9.554 -9.407 -4.353
157 HA ARG 23 HA ARG 23 11.556 -9.169 -5.599
158 HB2 ARG 23 2HB ARG 23 9.341 -7.693 -6.966
159 HB3 ARG 23 1HB ARG 23 10.969 -7.526 -7.625
160 HG2 ARG 23 2HG ARG 23 11.096 -10.092 -7.520
161 HG3 ARG 23 1HG ARG 23 9.349 -10.051 -7.274
162 HD2 ARG 23 2HD ARG 23 10.776 -8.752 -9.622
163 HD3 ARG 23 1HD ARG 23 9.933 -10.311 -9.688
164 HE ARG 23 HE ARG 23 8.166 -8.413 -8.521
165 HH11 ARG 23 1HH2 ARG 23 9.756 -9.122 -11.505
166 HH12 ARG 23 2HH2 ARG 23 8.515 -8.416 -12.483
167 HH21 ARG 23 1HH1 ARG 23 6.541 -7.490 -9.786
168 HH22 ARG 23 2HH1 ARG 23 6.696 -7.492 -11.511
169 H GLY 24 H GLY 24 11.824 -7.671 -3.337
170 HA2 GLY 24 2HA GLY 24 12.867 -5.773 -2.427
171 HA3 GLY 24 1HA GLY 24 13.754 -5.727 -3.951
172 H SER 25 H SER 25 10.259 -5.416 -3.827
173 HA SER 25 HA SER 25 10.542 -2.490 -4.430
174 HB2 SER 25 2HB SER 25 10.215 -4.072 -6.414
175 HB3 SER 25 1HB SER 25 8.616 -4.413 -5.758
176 HG SER 25 HG SER 25 9.624 -2.119 -6.959
177 H CYS 26 H CYS 26 7.941 -1.763 -4.600
178 HA CYS 26 HA CYS 26 6.516 -2.883 -2.229
179 HB2 CYS 26 2HB CYS 26 7.968 -1.020 -1.492
180 HB3 CYS 26 1HB CYS 26 7.226 0.033 -2.698
181 H GLN 27 H GLN 27 4.270 -2.800 -2.483
182 HA GLN 27 HA GLN 27 3.259 -1.431 -4.957
183 HB2 GLN 27 2HB GLN 27 2.508 -4.033 -3.593
184 HB3 GLN 27 1HB GLN 27 1.562 -3.321 -4.902
185 HG2 GLN 27 2HG GLN 27 3.544 -3.376 -6.371
186 HG3 GLN 27 1HG GLN 27 4.490 -4.093 -5.067
187 HE21 GLN 27 1HE2 GLN 27 2.648 -5.966 -4.028
188 HE22 GLN 27 2HE2 GLN 27 2.301 -7.126 -5.217
189 H CYS 28 H CYS 28 1.396 -0.177 -4.726
190 HA CYS 28 HA CYS 28 0.192 -0.028 -1.979
191 HB2 CYS 28 2HB CYS 28 0.602 2.203 -3.999
192 HB3 CYS 28 1HB CYS 28 0.036 2.381 -2.338
193 H ARG 29 H ARG 29 -2.103 0.340 -1.943
194 HA ARG 29 HA ARG 29 -3.497 0.210 -4.592
195 HB2 ARG 29 2HB ARG 29 -3.278 -1.784 -2.502
196 HB3 ARG 29 1HB ARG 29 -4.965 -1.320 -2.727
197 HG2 ARG 29 2HG ARG 29 -4.760 -2.980 -4.340
198 HG3 ARG 29 1HG ARG 29 -4.359 -1.550 -5.292
199 HD2 ARG 29 2HD ARG 29 -2.318 -2.422 -5.735
200 HD3 ARG 29 1HD ARG 29 -1.964 -2.483 -3.996
201 HE ARG 29 HE ARG 29 -3.669 -4.625 -4.371
202 HH11 ARG 29 1HH2 ARG 29 -0.749 -3.517 -5.848
203 HH12 ARG 29 2HH2 ARG 29 -0.198 -5.109 -6.253
204 HH21 ARG 29 1HH1 ARG 29 -2.960 -6.704 -4.896
205 HH22 ARG 29 2HH1 ARG 29 -1.448 -6.909 -5.716
206 H ARG 30 H ARG 30 -5.782 0.927 -4.432
207 HA ARG 30 HA ARG 30 -6.231 2.780 -2.111
208 HB2 ARG 30 2HB ARG 30 -6.255 3.085 -5.020
209 HB3 ARG 30 1HB ARG 30 -7.752 3.653 -4.283
210 HG2 ARG 30 2HG ARG 30 -5.682 4.576 -2.604
211 HG3 ARG 30 1HG ARG 30 -5.139 4.888 -4.253
212 HD2 ARG 30 2HD ARG 30 -7.968 5.579 -3.499
213 HD3 ARG 30 1HD ARG 30 -6.649 6.680 -3.053
214 HE ARG 30 HE ARG 30 -6.131 6.034 -5.707
215 HH11 ARG 30 1HH2 ARG 30 -8.785 7.326 -3.912
216 HH12 ARG 30 2HH2 ARG 30 -9.380 8.276 -5.231
217 HH21 ARG 30 1HH1 ARG 30 -6.900 7.269 -7.432
218 HH22 ARG 30 2HH1 ARG 30 -8.314 8.245 -7.221
219 H THR 31 H THR 31 -8.699 3.273 -1.914
220 HA THR 31 HA THR 31 -10.105 0.730 -1.601
221 HB THR 31 HB THR 31 -11.933 2.491 -0.918
222 HG1 THR 31 1HG THR 31 -11.332 4.495 -1.024
223 HG21 THR 31 3HG2 THR 31 -9.456 2.748 0.731
224 HG22 THR 31 1HG2 THR 31 -10.124 1.134 0.484
225 HG23 THR 31 2HG2 THR 31 -11.107 2.390 1.236
226 H SER 32 H SER 32 -11.795 -0.041 -2.881
227 HA SER 32 HA SER 32 -12.964 1.670 -4.992
228 HB2 SER 32 2HB SER 32 -11.102 -0.661 -5.431
229 HB3 SER 32 1HB SER 32 -12.288 -0.215 -6.655
230 HG SER 32 HG SER 32 -11.335 1.766 -6.843
231 H GLY 33 H GLY 33 -12.717 -1.565 -3.520
232 HA2 GLY 33 2HA GLY 33 -15.643 -1.904 -4.052
233 HA3 GLY 33 1HA GLY 33 -14.512 -3.255 -4.138
Start of MODEL 20
1 H1 ALA 1 1HT ALA 1 15.371 -0.034 0.999
2 H2 ALA 1 2HT ALA 1 16.930 -0.698 1.131
3 H3 ALA 1 3HT ALA 1 16.046 -0.314 2.530
4 HA ALA 1 HA ALA 1 15.806 -2.629 0.757
5 HB1 ALA 1 2HB ALA 1 15.581 -3.694 2.916
6 HB2 ALA 1 3HB ALA 1 15.256 -2.147 3.700
7 HB3 ALA 1 1HB ALA 1 16.863 -2.492 3.060
8 H CYS 2 H CYS 2 13.726 -3.912 1.090
9 HA CYS 2 HA CYS 2 11.392 -2.075 0.834
10 HB2 CYS 2 2HB CYS 2 11.726 -3.575 -1.007
11 HB3 CYS 2 1HB CYS 2 11.981 -4.946 0.072
12 H ASN 3 H ASN 3 11.541 -1.858 3.318
13 HA ASN 3 HA ASN 3 10.794 -4.180 4.933
14 HB2 ASN 3 2HB ASN 3 11.848 -1.568 5.264
15 HB3 ASN 3 1HB ASN 3 10.340 -1.613 6.176
16 HD21 ASN 3 1HD2 ASN 3 13.480 -1.953 6.788
17 HD22 ASN 3 2HD2 ASN 3 13.467 -3.221 7.917
18 H ASP 4 H ASP 4 8.716 -4.799 5.461
19 HA ASP 4 HA ASP 4 6.430 -3.878 4.069
20 HB2 ASP 4 2HB ASP 4 5.244 -5.121 5.934
21 HB3 ASP 4 1HB ASP 4 6.537 -6.035 5.157
22 H ARG 5 H ARG 5 7.663 -2.970 7.293
23 HA ARG 5 HA ARG 5 5.497 -1.274 8.067
24 HB2 ARG 5 2HB ARG 5 7.581 -2.240 9.328
25 HB3 ARG 5 1HB ARG 5 8.387 -0.776 8.764
26 HG2 ARG 5 2HG ARG 5 7.541 0.034 10.747
27 HG3 ARG 5 1HG ARG 5 6.148 0.349 9.710
28 HD2 ARG 5 2HD ARG 5 5.389 -2.058 10.366
29 HD3 ARG 5 1HD ARG 5 6.538 -1.878 11.708
30 HE ARG 5 HE ARG 5 5.019 0.510 11.575
31 HH11 ARG 5 1HH2 ARG 5 4.614 -2.866 12.188
32 HH12 ARG 5 2HH2 ARG 5 3.277 -2.640 13.263
33 HH21 ARG 5 1HH1 ARG 5 3.276 0.813 12.978
34 HH22 ARG 5 2HH1 ARG 5 2.520 -0.562 13.710
35 H ASP 6 H ASP 6 8.523 -0.581 6.303
36 HA ASP 6 HA ASP 6 7.898 2.263 6.000
37 HB2 ASP 6 2HB ASP 6 10.143 0.700 5.946
38 HB3 ASP 6 1HB ASP 6 9.864 0.941 4.221
39 H CYS 7 H CYS 7 7.087 -0.660 4.357
40 HA CYS 7 HA CYS 7 6.656 0.509 1.715
41 HB2 CYS 7 2HB CYS 7 6.430 -2.071 3.118
42 HB3 CYS 7 1HB CYS 7 5.199 -1.832 1.877
43 H SER 8 H SER 8 4.705 -0.115 4.602
44 HA SER 8 HA SER 8 2.176 0.581 3.285
45 HB2 SER 8 2HB SER 8 1.747 -0.854 5.020
46 HB3 SER 8 1HB SER 8 3.186 -0.362 5.908
47 HG SER 8 HG SER 8 1.217 0.301 6.916
48 H LEU 9 H LEU 9 4.381 2.112 5.651
49 HA LEU 9 HA LEU 9 2.912 4.468 6.174
50 HB2 LEU 9 2HB LEU 9 5.605 3.426 6.437
51 HB3 LEU 9 1HB LEU 9 5.647 5.143 6.039
52 HG LEU 9 HG LEU 9 3.883 4.011 8.222
53 HD11 LEU 9 1HD1 LEU 9 6.555 3.835 8.383
54 HD12 LEU 9 2HD1 LEU 9 5.564 4.262 9.779
55 HD13 LEU 9 3HD1 LEU 9 6.376 5.525 8.853
56 HD21 LEU 9 3HD2 LEU 9 4.602 6.718 7.170
57 HD22 LEU 9 1HD2 LEU 9 4.333 6.555 8.905
58 HD23 LEU 9 2HD2 LEU 9 3.054 6.124 7.770
59 H ASP 10 H ASP 10 5.308 3.862 3.580
60 HA ASP 10 HA ASP 10 5.144 6.450 2.369
61 HB2 ASP 10 2HB ASP 10 6.785 4.424 2.105
62 HB3 ASP 10 1HB ASP 10 5.650 3.889 0.866
63 H CYS 11 H CYS 11 3.281 3.461 1.866
64 HA CYS 11 HA CYS 11 1.825 4.345 -0.451
65 HB2 CYS 11 2HB CYS 11 1.315 2.329 1.755
66 HB3 CYS 11 1HB CYS 11 0.264 2.488 0.348
67 H ILE 12 H ILE 12 1.146 4.524 3.047
68 HA ILE 12 HA ILE 12 -1.488 5.632 2.847
69 HB ILE 12 HB ILE 12 0.694 5.882 4.944
70 HG12 ILE 12 2HG1 ILE 12 -1.679 4.000 4.733
71 HG13 ILE 12 1HG1 ILE 12 -0.009 3.561 4.369
72 HG21 ILE 12 1HG2 ILE 12 -0.797 7.517 5.635
73 HG22 ILE 12 2HG2 ILE 12 -1.536 6.096 6.375
74 HG23 ILE 12 3HG2 ILE 12 -2.175 6.734 4.859
75 HD11 ILE 12 3HD1 ILE 12 -1.244 3.413 6.870
76 HD12 ILE 12 1HD1 ILE 12 -0.236 4.856 6.970
77 HD13 ILE 12 2HD1 ILE 12 0.487 3.301 6.555
78 H MET 13 H MET 13 1.738 7.111 2.857
79 HA MET 13 HA MET 13 0.826 9.851 3.054
80 HB2 MET 13 2HB MET 13 3.103 8.995 3.607
81 HB3 MET 13 1HB MET 13 3.367 8.652 1.898
82 HG2 MET 13 2HG MET 13 2.606 11.224 1.694
83 HG3 MET 13 1HG MET 13 3.298 11.268 3.316
84 HE1 MET 13 3HE MET 13 3.598 11.374 -0.215
85 HE2 MET 13 1HE MET 13 5.321 11.539 -0.576
86 HE3 MET 13 2HE MET 13 4.504 12.752 0.403
87 H LYS 14 H LYS 14 1.279 7.578 0.405
88 HA LYS 14 HA LYS 14 1.132 9.588 -1.711
89 HB2 LYS 14 2HB LYS 14 1.259 6.623 -1.401
90 HB3 LYS 14 1HB LYS 14 0.614 7.237 -2.923
91 HG2 LYS 14 2HG LYS 14 2.898 8.805 -2.328
92 HG3 LYS 14 1HG LYS 14 3.356 7.124 -2.053
93 HD2 LYS 14 2HD LYS 14 3.643 6.996 -4.294
94 HD3 LYS 14 1HD LYS 14 1.881 6.989 -4.394
95 HE2 LYS 14 2HE LYS 14 1.995 8.947 -5.529
96 HE3 LYS 14 1HE LYS 14 2.669 9.707 -4.073
97 HZ1 LYS 14 3HZ LYS 14 4.827 8.546 -4.792
98 HZ2 LYS 14 1HZ LYS 14 4.366 9.953 -5.619
99 HZ3 LYS 14 2HZ LYS 14 4.096 8.429 -6.320
100 H GLY 15 H GLY 15 -1.154 7.707 0.153
101 HA2 GLY 15 2HA GLY 15 -3.478 8.754 0.123
102 HA3 GLY 15 1HA GLY 15 -3.353 8.669 -1.634
103 H TYR 16 H TYR 16 -1.792 5.980 -0.624
104 HA TYR 16 HA TYR 16 -4.111 4.264 -1.220
105 HB2 TYR 16 2HB TYR 16 -1.167 3.774 -0.672
106 HB3 TYR 16 1HB TYR 16 -2.303 2.518 -1.156
107 HD1 TYR 16 2HD TYR 16 -3.894 3.405 -3.236
108 HD2 TYR 16 1HD TYR 16 0.148 4.596 -2.402
109 HE1 TYR 16 2HE TYR 16 -3.594 4.047 -5.612
110 HE2 TYR 16 1HE TYR 16 0.448 5.237 -4.779
111 HH TYR 16 HH TYR 16 -2.247 5.252 -7.034
112 H ASN 17 H ASN 17 -3.910 2.074 0.257
113 HA ASN 17 HA ASN 17 -4.216 3.023 3.080
114 HB2 ASN 17 2HB ASN 17 -5.497 0.950 1.328
115 HB3 ASN 17 1HB ASN 17 -5.497 0.702 3.074
116 HD21 ASN 17 1HD2 ASN 17 -7.129 2.296 0.522
117 HD22 ASN 17 2HD2 ASN 17 -8.077 3.338 1.469
118 H PHE 18 H PHE 18 -3.216 0.081 1.272
119 HA PHE 18 HA PHE 18 -1.109 -0.346 3.365
120 HB2 PHE 18 2HB PHE 18 -1.638 -2.825 2.912
121 HB3 PHE 18 1HB PHE 18 -2.846 -1.913 3.815
122 HD1 PHE 18 2HD PHE 18 -4.858 -0.984 2.597
123 HD2 PHE 18 1HD PHE 18 -2.134 -3.764 0.780
124 HE1 PHE 18 2HE PHE 18 -6.550 -1.508 0.861
125 HE2 PHE 18 1HE PHE 18 -3.826 -4.290 -0.954
126 HZ PHE 18 HZ PHE 18 -6.036 -3.162 -0.913
127 H GLY 19 H GLY 19 0.615 -1.914 2.504
128 HA2 GLY 19 2HA GLY 19 0.931 -1.761 -0.452
129 HA3 GLY 19 1HA GLY 19 2.225 -1.134 0.570
130 H LYS 20 H LYS 20 3.195 -3.035 -0.904
131 HA LYS 20 HA LYS 20 3.695 -5.255 0.936
132 HB2 LYS 20 2HB LYS 20 1.516 -5.389 -0.841
133 HB3 LYS 20 1HB LYS 20 2.772 -6.390 -1.571
134 HG2 LYS 20 2HG LYS 20 2.796 -6.947 1.212
135 HG3 LYS 20 1HG LYS 20 1.109 -6.981 0.700
136 HD2 LYS 20 2HD LYS 20 1.678 -8.533 -1.123
137 HD3 LYS 20 1HD LYS 20 3.374 -8.489 -0.638
138 HE2 LYS 20 2HE LYS 20 3.029 -9.897 1.133
139 HE3 LYS 20 1HE LYS 20 1.462 -9.163 1.531
140 HZ1 LYS 20 3HZ LYS 20 1.069 -11.335 0.630
141 HZ2 LYS 20 1HZ LYS 20 2.042 -11.012 -0.721
142 HZ3 LYS 20 2HZ LYS 20 0.571 -10.188 -0.519
143 H CYS 21 H CYS 21 5.391 -6.704 0.065
144 HA CYS 21 HA CYS 21 7.208 -5.250 -1.773
145 HB2 CYS 21 2HB CYS 21 7.629 -6.462 0.562
146 HB3 CYS 21 1HB CYS 21 7.827 -7.876 -0.473
147 H VAL 22 H VAL 22 7.796 -6.049 -3.799
148 HA VAL 22 HA VAL 22 6.870 -8.758 -4.614
149 HB VAL 22 HB VAL 22 6.085 -6.113 -5.874
150 HG11 VAL 22 1HG1 VAL 22 4.752 -7.976 -7.314
151 HG12 VAL 22 2HG1 VAL 22 6.235 -8.868 -6.974
152 HG13 VAL 22 3HG1 VAL 22 6.311 -7.317 -7.809
153 HG21 VAL 22 3HG2 VAL 22 4.493 -8.413 -4.692
154 HG22 VAL 22 1HG2 VAL 22 3.790 -7.000 -5.479
155 HG23 VAL 22 2HG2 VAL 22 4.695 -6.814 -3.977
156 H ARG 23 H ARG 23 8.580 -9.693 -5.662
157 HA ARG 23 HA ARG 23 10.576 -9.907 -6.912
158 HB2 ARG 23 2HB ARG 23 9.223 -7.475 -8.111
159 HB3 ARG 23 1HB ARG 23 10.661 -8.214 -8.819
160 HG2 ARG 23 2HG ARG 23 8.509 -10.122 -8.160
161 HG3 ARG 23 1HG ARG 23 8.095 -8.958 -9.420
162 HD2 ARG 23 2HD ARG 23 10.800 -10.160 -9.659
163 HD3 ARG 23 1HD ARG 23 9.438 -11.265 -9.936
164 HE ARG 23 HE ARG 23 10.162 -9.018 -11.639
165 HH11 ARG 23 1HH2 ARG 23 7.597 -10.972 -10.400
166 HH12 ARG 23 2HH2 ARG 23 6.547 -10.669 -11.742
167 HH21 ARG 23 1HH1 ARG 23 8.800 -8.619 -13.394
168 HH22 ARG 23 2HH1 ARG 23 7.227 -9.340 -13.434
169 H GLY 24 H GLY 24 10.685 -8.415 -4.378
170 HA2 GLY 24 2HA GLY 24 12.371 -7.251 -3.217
171 HA3 GLY 24 1HA GLY 24 13.285 -7.174 -4.725
172 H SER 25 H SER 25 9.982 -6.017 -4.513
173 HA SER 25 HA SER 25 11.009 -3.199 -4.633
174 HB2 SER 25 2HB SER 25 8.854 -4.574 -6.268
175 HB3 SER 25 1HB SER 25 9.189 -2.847 -6.327
176 HG SER 25 HG SER 25 10.366 -4.751 -7.688
177 H CYS 26 H CYS 26 8.705 -1.803 -4.582
178 HA CYS 26 HA CYS 26 7.022 -2.887 -2.364
179 HB2 CYS 26 2HB CYS 26 8.938 -1.549 -1.472
180 HB3 CYS 26 1HB CYS 26 8.374 -0.168 -2.415
181 H GLN 27 H GLN 27 4.921 -2.652 -3.024
182 HA GLN 27 HA GLN 27 4.251 -0.323 -4.799
183 HB2 GLN 27 2HB GLN 27 3.645 -3.231 -4.830
184 HB3 GLN 27 1HB GLN 27 2.315 -2.164 -5.284
185 HG2 GLN 27 2HG GLN 27 5.023 -1.669 -6.471
186 HG3 GLN 27 1HG GLN 27 4.047 -2.993 -7.108
187 HE21 GLN 27 1HE2 GLN 27 3.560 -1.920 -9.131
188 HE22 GLN 27 2HE2 GLN 27 2.560 -0.551 -9.205
189 H CYS 28 H CYS 28 1.761 0.118 -4.642
190 HA CYS 28 HA CYS 28 0.902 -0.067 -1.771
191 HB2 CYS 28 2HB CYS 28 0.643 2.195 -3.782
192 HB3 CYS 28 1HB CYS 28 -0.047 2.215 -2.159
193 H ARG 29 H ARG 29 -1.369 -0.361 -1.449
194 HA ARG 29 HA ARG 29 -3.008 -0.807 -3.917
195 HB2 ARG 29 2HB ARG 29 -2.435 -2.634 -1.584
196 HB3 ARG 29 1HB ARG 29 -3.885 -2.845 -2.567
197 HG2 ARG 29 2HG ARG 29 -1.635 -2.472 -4.311
198 HG3 ARG 29 1HG ARG 29 -1.248 -3.738 -3.145
199 HD2 ARG 29 2HD ARG 29 -3.030 -5.104 -3.839
200 HD3 ARG 29 1HD ARG 29 -3.919 -3.742 -4.549
201 HE ARG 29 HE ARG 29 -2.620 -3.995 -6.503
202 HH11 ARG 29 1HH2 ARG 29 -1.133 -5.498 -3.772
203 HH12 ARG 29 2HH2 ARG 29 0.163 -6.184 -4.695
204 HH21 ARG 29 1HH1 ARG 29 -0.935 -4.884 -7.714
205 HH22 ARG 29 2HH1 ARG 29 0.276 -5.837 -6.922
206 H ARG 30 H ARG 30 -5.219 -0.293 -3.648
207 HA ARG 30 HA ARG 30 -5.875 1.263 -1.199
208 HB2 ARG 30 2HB ARG 30 -6.329 1.484 -3.979
209 HB3 ARG 30 1HB ARG 30 -7.908 1.169 -3.258
210 HG2 ARG 30 2HG ARG 30 -6.999 2.981 -1.490
211 HG3 ARG 30 1HG ARG 30 -6.103 3.510 -2.915
212 HD2 ARG 30 2HD ARG 30 -9.115 3.226 -2.650
213 HD3 ARG 30 1HD ARG 30 -8.192 4.711 -2.959
214 HE ARG 30 HE ARG 30 -7.471 2.863 -4.974
215 HH11 ARG 30 1HH2 ARG 30 -10.249 4.569 -3.827
216 HH12 ARG 30 2HH2 ARG 30 -10.996 4.659 -5.386
217 HH21 ARG 30 1HH1 ARG 30 -8.440 2.975 -7.011
218 HH22 ARG 30 2HH1 ARG 30 -9.974 3.758 -7.185
219 H THR 31 H THR 31 -8.148 0.958 -0.326
220 HA THR 31 HA THR 31 -8.649 -1.881 0.184
221 HB THR 31 HB THR 31 -10.468 -0.864 1.618
222 HG1 THR 31 1HG THR 31 -10.006 1.564 1.718
223 HG21 THR 31 3HG2 THR 31 -8.885 0.292 3.144
224 HG22 THR 31 1HG2 THR 31 -7.687 0.319 1.850
225 HG23 THR 31 2HG2 THR 31 -8.224 -1.222 2.524
226 H SER 32 H SER 32 -10.982 -2.696 -0.016
227 HA SER 32 HA SER 32 -12.323 -1.596 -2.463
228 HB2 SER 32 2HB SER 32 -12.649 -3.977 -3.138
229 HB3 SER 32 1HB SER 32 -10.946 -3.546 -3.025
230 HG SER 32 HG SER 32 -10.992 -4.441 -0.889
231 H GLY 33 H GLY 33 -14.517 -1.340 -2.173
232 HA2 GLY 33 2HA GLY 33 -16.013 -3.069 -0.340
233 HA3 GLY 33 1HA GLY 33 -15.880 -1.395 0.200
Start of MODEL 21
1 H1 ALA 1 1HT ALA 1 14.828 -6.492 0.762
2 H2 ALA 1 2HT ALA 1 16.271 -6.840 -0.064
3 H3 ALA 1 3HT ALA 1 14.943 -6.192 -0.903
4 HA ALA 1 HA ALA 1 16.609 -4.813 1.141
5 HB1 ALA 1 2HB ALA 1 16.655 -3.344 -1.124
6 HB2 ALA 1 3HB ALA 1 16.352 -4.933 -1.827
7 HB3 ALA 1 1HB ALA 1 17.787 -4.666 -0.835
8 H CYS 2 H CYS 2 13.464 -5.235 -0.062
9 HA CYS 2 HA CYS 2 12.665 -2.401 0.299
10 HB2 CYS 2 2HB CYS 2 10.613 -3.134 -0.710
11 HB3 CYS 2 1HB CYS 2 11.906 -3.959 -1.575
12 H ASN 3 H ASN 3 11.673 -1.680 2.160
13 HA ASN 3 HA ASN 3 11.185 -3.667 4.329
14 HB2 ASN 3 2HB ASN 3 12.692 -1.733 4.698
15 HB3 ASN 3 1HB ASN 3 11.364 -0.636 4.313
16 HD21 ASN 3 1HD2 ASN 3 11.980 -3.433 6.525
17 HD22 ASN 3 2HD2 ASN 3 11.141 -2.759 7.838
18 H ASP 4 H ASP 4 9.090 -4.237 4.762
19 HA ASP 4 HA ASP 4 6.836 -3.120 3.372
20 HB2 ASP 4 2HB ASP 4 6.942 -4.737 5.939
21 HB3 ASP 4 1HB ASP 4 5.589 -4.646 4.810
22 H ARG 5 H ARG 5 8.244 -2.517 6.572
23 HA ARG 5 HA ARG 5 6.108 -0.985 7.691
24 HB2 ARG 5 2HB ARG 5 9.005 -1.448 8.108
25 HB3 ARG 5 1HB ARG 5 8.383 0.058 8.785
26 HG2 ARG 5 2HG ARG 5 6.835 -2.469 9.236
27 HG3 ARG 5 1HG ARG 5 8.287 -2.179 10.196
28 HD2 ARG 5 2HD ARG 5 6.420 0.126 9.954
29 HD3 ARG 5 1HD ARG 5 5.858 -1.242 10.937
30 HE ARG 5 HE ARG 5 8.097 0.511 11.591
31 HH11 ARG 5 1HH2 ARG 5 6.739 -2.656 11.852
32 HH12 ARG 5 2HH2 ARG 5 7.585 -3.037 13.315
33 HH21 ARG 5 1HH1 ARG 5 9.202 0.022 13.498
34 HH22 ARG 5 2HH1 ARG 5 8.975 -1.523 14.247
35 H ASP 6 H ASP 6 9.103 0.160 6.070
36 HA ASP 6 HA ASP 6 8.091 2.901 5.896
37 HB2 ASP 6 2HB ASP 6 10.529 1.337 5.183
38 HB3 ASP 6 1HB ASP 6 10.265 2.847 4.311
39 H CYS 7 H CYS 7 7.254 0.168 4.245
40 HA CYS 7 HA CYS 7 7.133 1.412 1.550
41 HB2 CYS 7 2HB CYS 7 7.882 -0.875 1.676
42 HB3 CYS 7 1HB CYS 7 6.521 -1.322 2.705
43 H SER 8 H SER 8 4.975 0.168 4.101
44 HA SER 8 HA SER 8 2.564 0.968 2.607
45 HB2 SER 8 2HB SER 8 2.751 -1.087 4.022
46 HB3 SER 8 1HB SER 8 2.958 -0.060 5.437
47 HG SER 8 HG SER 8 0.748 -0.837 4.881
48 H LEU 9 H LEU 9 4.469 2.087 5.386
49 HA LEU 9 HA LEU 9 2.723 4.027 6.460
50 HB2 LEU 9 2HB LEU 9 5.442 3.217 6.628
51 HB3 LEU 9 1HB LEU 9 5.448 4.964 6.393
52 HG LEU 9 HG LEU 9 3.791 3.515 8.478
53 HD11 LEU 9 1HD1 LEU 9 5.587 5.086 9.825
54 HD12 LEU 9 2HD1 LEU 9 6.561 4.537 8.459
55 HD13 LEU 9 3HD1 LEU 9 5.802 3.360 9.532
56 HD21 LEU 9 3HD2 LEU 9 2.663 5.474 8.507
57 HD22 LEU 9 1HD2 LEU 9 3.820 6.226 7.407
58 HD23 LEU 9 2HD2 LEU 9 4.133 6.212 9.143
59 H ASP 10 H ASP 10 5.136 4.404 3.839
60 HA ASP 10 HA ASP 10 4.574 7.164 3.298
61 HB2 ASP 10 2HB ASP 10 6.216 5.021 2.355
62 HB3 ASP 10 1HB ASP 10 5.423 5.746 0.957
63 H CYS 11 H CYS 11 3.162 4.139 2.086
64 HA CYS 11 HA CYS 11 1.588 5.351 -0.017
65 HB2 CYS 11 2HB CYS 11 2.329 2.857 0.621
66 HB3 CYS 11 1HB CYS 11 0.740 2.853 1.387
67 H ILE 12 H ILE 12 0.933 4.521 3.388
68 HA ILE 12 HA ILE 12 -1.866 5.134 3.382
69 HB ILE 12 HB ILE 12 0.327 5.127 5.470
70 HG12 ILE 12 2HG1 ILE 12 -2.041 3.277 5.266
71 HG13 ILE 12 1HG1 ILE 12 -0.624 3.017 4.249
72 HG21 ILE 12 1HG2 ILE 12 -1.051 6.099 6.960
73 HG22 ILE 12 2HG2 ILE 12 -2.298 4.903 6.612
74 HG23 ILE 12 3HG2 ILE 12 -2.216 6.390 5.668
75 HD11 ILE 12 3HD1 ILE 12 -0.474 3.324 7.258
76 HD12 ILE 12 1HD1 ILE 12 0.810 2.798 6.170
77 HD13 ILE 12 2HD1 ILE 12 -0.588 1.762 6.449
78 H MET 13 H MET 13 1.029 7.139 3.828
79 HA MET 13 HA MET 13 -0.464 9.545 4.550
80 HB2 MET 13 2HB MET 13 2.246 8.582 4.400
81 HB3 MET 13 1HB MET 13 2.139 10.123 3.548
82 HG2 MET 13 2HG MET 13 1.066 9.650 6.344
83 HG3 MET 13 1HG MET 13 2.633 10.380 5.992
84 HE1 MET 13 3HE MET 13 0.818 13.154 7.405
85 HE2 MET 13 1HE MET 13 2.292 13.412 6.463
86 HE3 MET 13 2HE MET 13 2.104 11.949 7.427
87 H LYS 14 H LYS 14 0.691 8.038 1.598
88 HA LYS 14 HA LYS 14 0.506 10.347 -0.126
89 HB2 LYS 14 2HB LYS 14 0.665 7.362 -0.371
90 HB3 LYS 14 1HB LYS 14 0.251 8.299 -1.807
91 HG2 LYS 14 2HG LYS 14 2.409 9.650 -0.567
92 HG3 LYS 14 1HG LYS 14 2.832 7.937 -0.580
93 HD2 LYS 14 2HD LYS 14 3.433 8.228 -2.737
94 HD3 LYS 14 1HD LYS 14 1.710 8.361 -3.095
95 HE2 LYS 14 2HE LYS 14 2.562 10.890 -2.071
96 HE3 LYS 14 1HE LYS 14 3.707 10.399 -3.335
97 HZ1 LYS 14 3HZ LYS 14 1.612 11.521 -4.140
98 HZ2 LYS 14 1HZ LYS 14 0.771 10.134 -3.647
99 HZ3 LYS 14 2HZ LYS 14 1.964 10.019 -4.851
100 H GLY 15 H GLY 15 -1.813 7.994 1.076
101 HA2 GLY 15 2HA GLY 15 -4.187 8.878 1.103
102 HA3 GLY 15 1HA GLY 15 -3.924 9.310 -0.586
103 H TYR 16 H TYR 16 -2.366 6.407 0.210
104 HA TYR 16 HA TYR 16 -4.391 4.881 -1.325
105 HB2 TYR 16 2HB TYR 16 -1.547 4.437 -0.398
106 HB3 TYR 16 1HB TYR 16 -2.486 3.156 -1.160
107 HD1 TYR 16 1HD TYR 16 -1.150 6.593 -1.649
108 HD2 TYR 16 2HD TYR 16 -2.876 3.128 -3.512
109 HE1 TYR 16 1HE TYR 16 -0.637 7.538 -3.884
110 HE2 TYR 16 2HE TYR 16 -2.364 4.075 -5.747
111 HH TYR 16 HH TYR 16 -1.996 6.407 -6.713
112 H ASN 17 H ASN 17 -3.899 2.325 -0.257
113 HA ASN 17 HA ASN 17 -5.043 2.579 2.508
114 HB2 ASN 17 2HB ASN 17 -6.320 1.702 0.312
115 HB3 ASN 17 1HB ASN 17 -5.532 0.194 0.778
116 HD21 ASN 17 1HD2 ASN 17 -6.888 2.825 2.833
117 HD22 ASN 17 2HD2 ASN 17 -7.963 1.816 3.673
118 H PHE 18 H PHE 18 -3.276 0.305 0.367
119 HA PHE 18 HA PHE 18 -1.318 -0.257 2.485
120 HB2 PHE 18 2HB PHE 18 -2.002 -2.753 2.356
121 HB3 PHE 18 1HB PHE 18 -3.035 -1.678 3.300
122 HD1 PHE 18 1HD PHE 18 -2.632 -3.135 -0.123
123 HD2 PHE 18 2HD PHE 18 -5.322 -1.471 2.783
124 HE1 PHE 18 1HE PHE 18 -4.558 -3.712 -1.575
125 HE2 PHE 18 2HE PHE 18 -7.249 -2.049 1.330
126 HZ PHE 18 HZ PHE 18 -6.866 -3.169 -0.848
127 H GLY 19 H GLY 19 0.454 -1.593 1.654
128 HA2 GLY 19 2HA GLY 19 0.376 -1.982 -1.311
129 HA3 GLY 19 1HA GLY 19 1.782 -1.272 -0.518
130 H LYS 20 H LYS 20 3.176 -2.981 -1.183
131 HA LYS 20 HA LYS 20 3.323 -5.233 0.618
132 HB2 LYS 20 2HB LYS 20 1.349 -5.766 -0.896
133 HB3 LYS 20 1HB LYS 20 2.498 -5.850 -2.233
134 HG2 LYS 20 2HG LYS 20 3.805 -7.502 -0.697
135 HG3 LYS 20 1HG LYS 20 2.278 -7.644 0.176
136 HD2 LYS 20 2HD LYS 20 1.136 -8.460 -1.750
137 HD3 LYS 20 1HD LYS 20 2.457 -7.995 -2.821
138 HE2 LYS 20 2HE LYS 20 3.381 -10.042 -2.543
139 HE3 LYS 20 1HE LYS 20 3.523 -9.731 -0.802
140 HZ1 LYS 20 3HZ LYS 20 1.479 -10.649 -0.368
141 HZ2 LYS 20 1HZ LYS 20 1.984 -11.637 -1.652
142 HZ3 LYS 20 2HZ LYS 20 0.889 -10.369 -1.937
143 H CYS 21 H CYS 21 5.285 -6.446 0.257
144 HA CYS 21 HA CYS 21 7.270 -5.019 -1.413
145 HB2 CYS 21 2HB CYS 21 7.171 -6.630 0.998
146 HB3 CYS 21 1HB CYS 21 8.414 -7.232 -0.097
147 H VAL 22 H VAL 22 7.921 -5.797 -3.385
148 HA VAL 22 HA VAL 22 7.064 -8.563 -4.156
149 HB VAL 22 HB VAL 22 7.733 -6.078 -5.768
150 HG11 VAL 22 1HG1 VAL 22 6.288 -8.058 -7.242
151 HG12 VAL 22 2HG1 VAL 22 7.700 -8.833 -6.526
152 HG13 VAL 22 3HG1 VAL 22 7.902 -7.422 -7.564
153 HG21 VAL 22 3HG2 VAL 22 5.050 -7.371 -5.799
154 HG22 VAL 22 1HG2 VAL 22 5.475 -5.661 -5.880
155 HG23 VAL 22 2HG2 VAL 22 5.489 -6.500 -4.329
156 H ARG 23 H ARG 23 8.894 -9.773 -3.498
157 HA ARG 23 HA ARG 23 11.085 -10.638 -3.684
158 HB2 ARG 23 2HB ARG 23 10.371 -9.295 -6.204
159 HB3 ARG 23 1HB ARG 23 12.111 -9.442 -5.953
160 HG2 ARG 23 2HG ARG 23 11.371 -11.439 -7.092
161 HG3 ARG 23 1HG ARG 23 11.740 -11.885 -5.426
162 HD2 ARG 23 2HD ARG 23 9.051 -11.100 -5.340
163 HD3 ARG 23 1HD ARG 23 9.197 -12.051 -6.832
164 HE ARG 23 HE ARG 23 9.499 -13.092 -4.138
165 HH11 ARG 23 1HH2 ARG 23 10.565 -13.310 -7.417
166 HH12 ARG 23 2HH2 ARG 23 11.045 -14.968 -7.286
167 HH21 ARG 23 1HH1 ARG 23 10.121 -15.255 -3.958
168 HH22 ARG 23 2HH1 ARG 23 10.792 -16.069 -5.332
169 H GLY 24 H GLY 24 11.888 -7.607 -5.293
170 HA2 GLY 24 2HA GLY 24 13.363 -6.755 -2.833
171 HA3 GLY 24 1HA GLY 24 14.095 -6.644 -4.434
172 H SER 25 H SER 25 10.733 -6.017 -4.366
173 HA SER 25 HA SER 25 11.234 -3.060 -4.291
174 HB2 SER 25 2HB SER 25 10.773 -4.577 -6.538
175 HB3 SER 25 1HB SER 25 9.140 -4.071 -6.112
176 HG SER 25 HG SER 25 9.736 -1.976 -6.300
177 H CYS 26 H CYS 26 8.585 -2.269 -4.687
178 HA CYS 26 HA CYS 26 6.840 -3.739 -2.822
179 HB2 CYS 26 2HB CYS 26 8.661 -1.982 -1.778
180 HB3 CYS 26 1HB CYS 26 7.273 -0.922 -2.026
181 H GLN 27 H GLN 27 4.731 -3.394 -3.441
182 HA GLN 27 HA GLN 27 4.199 -1.151 -5.357
183 HB2 GLN 27 2HB GLN 27 3.133 -3.928 -4.909
184 HB3 GLN 27 1HB GLN 27 2.142 -2.743 -5.760
185 HG2 GLN 27 2HG GLN 27 5.013 -3.203 -6.557
186 HG3 GLN 27 1HG GLN 27 3.728 -4.248 -7.167
187 HE21 GLN 27 1HE2 GLN 27 1.718 -2.850 -8.016
188 HE22 GLN 27 2HE2 GLN 27 2.135 -1.519 -8.985
189 H CYS 28 H CYS 28 1.563 -0.788 -5.207
190 HA CYS 28 HA CYS 28 0.815 -0.476 -2.331
191 HB2 CYS 28 2HB CYS 28 1.481 1.573 -4.347
192 HB3 CYS 28 1HB CYS 28 -0.022 1.876 -3.477
193 H ARG 29 H ARG 29 -1.495 -0.314 -2.015
194 HA ARG 29 HA ARG 29 -3.208 -0.682 -4.432
195 HB2 ARG 29 2HB ARG 29 -2.973 -2.525 -2.034
196 HB3 ARG 29 1HB ARG 29 -4.267 -2.636 -3.228
197 HG2 ARG 29 2HG ARG 29 -1.310 -2.805 -3.885
198 HG3 ARG 29 1HG ARG 29 -2.375 -4.201 -3.703
199 HD2 ARG 29 2HD ARG 29 -3.783 -2.576 -5.466
200 HD3 ARG 29 1HD ARG 29 -2.095 -2.381 -5.982
201 HE ARG 29 HE ARG 29 -2.779 -5.153 -5.384
202 HH11 ARG 29 1HH2 ARG 29 -2.826 -2.615 -7.727
203 HH12 ARG 29 2HH2 ARG 29 -2.844 -3.693 -9.081
204 HH21 ARG 29 1HH1 ARG 29 -2.802 -6.567 -7.144
205 HH22 ARG 29 2HH1 ARG 29 -2.831 -5.925 -8.753
206 H ARG 30 H ARG 30 -5.198 0.323 -4.182
207 HA ARG 30 HA ARG 30 -5.689 1.746 -1.617
208 HB2 ARG 30 2HB ARG 30 -5.952 2.287 -4.386
209 HB3 ARG 30 1HB ARG 30 -7.590 2.244 -3.734
210 HG2 ARG 30 2HG ARG 30 -6.281 3.658 -1.791
211 HG3 ARG 30 1HG ARG 30 -5.420 4.182 -3.239
212 HD2 ARG 30 2HD ARG 30 -8.439 4.255 -2.855
213 HD3 ARG 30 1HD ARG 30 -7.353 5.659 -2.850
214 HE ARG 30 HE ARG 30 -6.999 4.032 -5.228
215 HH11 ARG 30 1HH2 ARG 30 -8.935 6.449 -3.695
216 HH12 ARG 30 2HH2 ARG 30 -9.480 7.141 -5.186
217 HH21 ARG 30 1HH1 ARG 30 -7.707 4.927 -7.177
218 HH22 ARG 30 2HH1 ARG 30 -8.786 6.282 -7.154
219 H THR 31 H THR 31 -8.528 1.987 -1.995
220 HA THR 31 HA THR 31 -9.388 -0.806 -1.320
221 HB THR 31 HB THR 31 -11.278 0.917 -0.299
222 HG1 THR 31 1HG THR 31 -9.715 2.464 0.762
223 HG21 THR 31 3HG2 THR 31 -9.714 0.720 1.826
224 HG22 THR 31 1HG2 THR 31 -8.802 -0.370 0.783
225 HG23 THR 31 2HG2 THR 31 -10.492 -0.712 1.151
226 H SER 32 H SER 32 -11.554 -1.419 -2.054
227 HA SER 32 HA SER 32 -12.211 -0.303 -4.700
228 HB2 SER 32 2HB SER 32 -12.152 -2.725 -4.266
229 HB3 SER 32 1HB SER 32 -13.378 -2.543 -3.014
230 HG SER 32 HG SER 32 -13.604 -2.167 -5.808
231 H GLY 33 H GLY 33 -12.887 1.851 -3.711
232 HA2 GLY 33 2HA GLY 33 -14.849 3.219 -3.559
233 HA3 GLY 33 1HA GLY 33 -15.791 1.782 -3.163
Start of MODEL 22
1 H1 ALA 1 1HT ALA 1 16.450 -3.034 -1.316
2 H2 ALA 1 2HT ALA 1 17.744 -3.907 -0.648
3 H3 ALA 1 3HT ALA 1 17.137 -2.537 0.152
4 HA ALA 1 HA ALA 1 15.637 -5.072 -0.287
5 HB1 ALA 1 2HB ALA 1 17.266 -3.868 1.945
6 HB2 ALA 1 3HB ALA 1 17.336 -5.504 1.290
7 HB3 ALA 1 1HB ALA 1 15.977 -5.016 2.303
8 H CYS 2 H CYS 2 13.454 -4.692 -0.171
9 HA CYS 2 HA CYS 2 12.522 -2.072 0.892
10 HB2 CYS 2 2HB CYS 2 10.613 -2.449 -0.477
11 HB3 CYS 2 1HB CYS 2 11.962 -3.077 -1.420
12 H ASN 3 H ASN 3 11.250 -1.950 2.733
13 HA ASN 3 HA ASN 3 10.667 -4.533 4.141
14 HB2 ASN 3 2HB ASN 3 11.779 -1.926 4.870
15 HB3 ASN 3 1HB ASN 3 10.478 -2.424 5.952
16 HD21 ASN 3 1HD2 ASN 3 13.565 -2.384 6.266
17 HD22 ASN 3 2HD2 ASN 3 13.930 -3.947 6.820
18 H ASP 4 H ASP 4 8.529 -4.995 4.576
19 HA ASP 4 HA ASP 4 6.352 -3.707 3.372
20 HB2 ASP 4 2HB ASP 4 6.813 -5.900 4.971
21 HB3 ASP 4 1HB ASP 4 5.834 -4.883 6.028
22 H ARG 5 H ARG 5 7.882 -3.019 6.498
23 HA ARG 5 HA ARG 5 5.896 -1.204 7.502
24 HB2 ARG 5 2HB ARG 5 7.911 -2.395 8.624
25 HB3 ARG 5 1HB ARG 5 8.869 -1.047 8.009
26 HG2 ARG 5 2HG ARG 5 7.931 0.456 9.456
27 HG3 ARG 5 1HG ARG 5 6.350 -0.323 9.403
28 HD2 ARG 5 2HD ARG 5 7.989 -2.234 10.621
29 HD3 ARG 5 1HD ARG 5 8.504 -0.692 11.335
30 HE ARG 5 HE ARG 5 5.758 -0.478 11.331
31 HH11 ARG 5 1HH2 ARG 5 8.013 -2.862 12.408
32 HH12 ARG 5 2HH2 ARG 5 7.004 -3.420 13.698
33 HH21 ARG 5 1HH1 ARG 5 4.434 -1.198 13.012
34 HH22 ARG 5 2HH1 ARG 5 4.980 -2.481 14.041
35 H ASP 6 H ASP 6 8.982 -0.599 5.780
36 HA ASP 6 HA ASP 6 8.428 2.262 5.514
37 HB2 ASP 6 2HB ASP 6 10.624 0.540 5.429
38 HB3 ASP 6 1HB ASP 6 10.458 1.096 3.763
39 H CYS 7 H CYS 7 7.121 -0.383 4.000
40 HA CYS 7 HA CYS 7 7.028 0.858 1.291
41 HB2 CYS 7 2HB CYS 7 7.617 -1.468 1.342
42 HB3 CYS 7 1HB CYS 7 6.303 -1.841 2.460
43 H SER 8 H SER 8 4.934 -0.153 3.981
44 HA SER 8 HA SER 8 2.494 0.722 2.577
45 HB2 SER 8 2HB SER 8 3.167 -1.100 4.572
46 HB3 SER 8 1HB SER 8 2.344 0.183 5.453
47 HG SER 8 HG SER 8 1.325 -1.699 3.830
48 H LEU 9 H LEU 9 4.620 1.857 5.181
49 HA LEU 9 HA LEU 9 3.053 3.957 6.238
50 HB2 LEU 9 2HB LEU 9 5.821 3.074 6.145
51 HB3 LEU 9 1HB LEU 9 5.726 4.835 6.137
52 HG LEU 9 HG LEU 9 4.254 3.061 8.106
53 HD11 LEU 9 1HD1 LEU 9 6.244 2.862 9.150
54 HD12 LEU 9 2HD1 LEU 9 6.173 4.599 9.445
55 HD13 LEU 9 3HD1 LEU 9 7.016 3.979 8.025
56 HD21 LEU 9 3HD2 LEU 9 3.643 5.598 7.365
57 HD22 LEU 9 1HD2 LEU 9 4.833 5.928 8.624
58 HD23 LEU 9 2HD2 LEU 9 3.390 4.988 9.000
59 H ASP 10 H ASP 10 5.512 4.201 3.629
60 HA ASP 10 HA ASP 10 4.929 6.912 2.927
61 HB2 ASP 10 2HB ASP 10 6.481 4.627 1.980
62 HB3 ASP 10 1HB ASP 10 5.850 5.584 0.639
63 H CYS 11 H CYS 11 3.468 3.845 1.969
64 HA CYS 11 HA CYS 11 1.946 4.927 -0.262
65 HB2 CYS 11 2HB CYS 11 2.242 2.411 1.279
66 HB3 CYS 11 1HB CYS 11 0.676 2.638 0.499
67 H ILE 12 H ILE 12 1.263 4.263 3.174
68 HA ILE 12 HA ILE 12 -1.539 4.849 3.118
69 HB ILE 12 HB ILE 12 0.584 5.113 5.273
70 HG12 ILE 12 2HG1 ILE 12 -1.444 2.908 5.067
71 HG13 ILE 12 1HG1 ILE 12 -0.010 2.852 4.041
72 HG21 ILE 12 1HG2 ILE 12 -1.293 6.373 6.029
73 HG22 ILE 12 2HG2 ILE 12 -1.456 4.791 6.790
74 HG23 ILE 12 3HG2 ILE 12 -2.437 5.199 5.382
75 HD11 ILE 12 3HD1 ILE 12 1.019 1.901 5.821
76 HD12 ILE 12 1HD1 ILE 12 -0.255 2.406 6.932
77 HD13 ILE 12 2HD1 ILE 12 1.041 3.527 6.507
78 H MET 13 H MET 13 1.326 6.899 3.376
79 HA MET 13 HA MET 13 -0.258 9.318 3.959
80 HB2 MET 13 2HB MET 13 1.958 8.934 4.949
81 HB3 MET 13 1HB MET 13 2.671 8.812 3.340
82 HG2 MET 13 2HG MET 13 1.261 11.234 3.311
83 HG3 MET 13 1HG MET 13 2.044 11.188 4.892
84 HE1 MET 13 3HE MET 13 3.116 13.298 2.082
85 HE2 MET 13 1HE MET 13 1.951 12.042 1.646
86 HE3 MET 13 2HE MET 13 3.538 12.078 0.884
87 H LYS 14 H LYS 14 0.970 7.620 1.190
88 HA LYS 14 HA LYS 14 1.023 9.908 -0.622
89 HB2 LYS 14 2HB LYS 14 1.435 6.975 -0.653
90 HB3 LYS 14 1HB LYS 14 0.873 7.665 -2.176
91 HG2 LYS 14 2HG LYS 14 2.986 9.250 -0.894
92 HG3 LYS 14 1HG LYS 14 3.501 7.620 -1.332
93 HD2 LYS 14 2HD LYS 14 3.655 8.248 -3.485
94 HD3 LYS 14 1HD LYS 14 1.935 8.647 -3.487
95 HE2 LYS 14 2HE LYS 14 2.369 10.875 -3.426
96 HE3 LYS 14 1HE LYS 14 3.547 10.676 -2.113
97 HZ1 LYS 14 3HZ LYS 14 3.978 10.217 -5.014
98 HZ2 LYS 14 1HZ LYS 14 5.062 9.686 -3.823
99 HZ3 LYS 14 2HZ LYS 14 4.764 11.347 -4.017
100 H GLY 15 H GLY 15 -1.404 7.691 0.540
101 HA2 GLY 15 2HA GLY 15 -3.753 8.630 0.173
102 HA3 GLY 15 1HA GLY 15 -3.306 8.712 -1.531
103 H TYR 16 H TYR 16 -1.852 6.018 -0.179
104 HA TYR 16 HA TYR 16 -3.859 4.240 -1.449
105 HB2 TYR 16 2HB TYR 16 -1.041 3.898 -0.379
106 HB3 TYR 16 1HB TYR 16 -1.975 2.589 -1.097
107 HD1 TYR 16 2HD TYR 16 -0.518 5.944 -1.759
108 HD2 TYR 16 1HD TYR 16 -2.224 2.388 -3.462
109 HE1 TYR 16 2HE TYR 16 0.151 6.706 -4.022
110 HE2 TYR 16 1HE TYR 16 -1.553 3.150 -5.726
111 HH TYR 16 HH TYR 16 -1.002 5.204 -6.884
112 H ASN 17 H ASN 17 -3.707 1.937 -0.074
113 HA ASN 17 HA ASN 17 -4.215 2.568 2.805
114 HB2 ASN 17 2HB ASN 17 -6.255 2.493 1.147
115 HB3 ASN 17 1HB ASN 17 -6.025 0.748 1.237
116 HD21 ASN 17 1HD2 ASN 17 -7.935 0.320 2.503
117 HD22 ASN 17 2HD2 ASN 17 -8.098 0.854 4.107
118 H PHE 18 H PHE 18 -2.423 0.826 0.716
119 HA PHE 18 HA PHE 18 -2.106 -1.418 2.656
120 HB2 PHE 18 2HB PHE 18 -2.351 -1.750 -0.350
121 HB3 PHE 18 1HB PHE 18 -2.249 -3.036 0.852
122 HD1 PHE 18 2HD PHE 18 -4.093 -3.087 2.686
123 HD2 PHE 18 1HD PHE 18 -4.449 -0.921 -1.007
124 HE1 PHE 18 2HE PHE 18 -6.558 -3.037 2.953
125 HE2 PHE 18 1HE PHE 18 -6.914 -0.871 -0.741
126 HZ PHE 18 HZ PHE 18 -7.968 -1.929 1.240
127 H GLY 19 H GLY 19 -0.036 -2.663 2.112
128 HA2 GLY 19 2HA GLY 19 1.938 -1.235 0.469
129 HA3 GLY 19 1HA GLY 19 2.263 -1.212 2.204
130 H LYS 20 H LYS 20 2.375 -3.120 -0.672
131 HA LYS 20 HA LYS 20 3.336 -5.466 0.936
132 HB2 LYS 20 2HB LYS 20 1.153 -5.551 -0.460
133 HB3 LYS 20 1HB LYS 20 2.216 -5.548 -1.869
134 HG2 LYS 20 2HG LYS 20 3.207 -7.446 0.049
135 HG3 LYS 20 1HG LYS 20 1.498 -7.765 -0.247
136 HD2 LYS 20 2HD LYS 20 2.040 -7.576 -2.740
137 HD3 LYS 20 1HD LYS 20 3.740 -7.642 -2.272
138 HE2 LYS 20 2HE LYS 20 3.315 -9.914 -2.600
139 HE3 LYS 20 1HE LYS 20 2.891 -9.771 -0.882
140 HZ1 LYS 20 3HZ LYS 20 0.629 -8.962 -1.968
141 HZ2 LYS 20 1HZ LYS 20 0.932 -10.596 -1.634
142 HZ3 LYS 20 2HZ LYS 20 1.144 -10.000 -3.212
143 H CYS 21 H CYS 21 5.377 -6.241 0.415
144 HA CYS 21 HA CYS 21 7.009 -4.660 -1.467
145 HB2 CYS 21 2HB CYS 21 7.336 -6.384 0.858
146 HB3 CYS 21 1HB CYS 21 8.488 -6.797 -0.411
147 H VAL 22 H VAL 22 8.153 -5.636 -3.253
148 HA VAL 22 HA VAL 22 7.031 -8.265 -4.169
149 HB VAL 22 HB VAL 22 7.748 -5.822 -5.822
150 HG11 VAL 22 1HG1 VAL 22 6.935 -8.600 -6.425
151 HG12 VAL 22 2HG1 VAL 22 7.797 -7.436 -7.430
152 HG13 VAL 22 3HG1 VAL 22 6.041 -7.358 -7.303
153 HG21 VAL 22 3HG2 VAL 22 5.817 -5.233 -4.548
154 HG22 VAL 22 1HG2 VAL 22 5.120 -6.844 -4.727
155 HG23 VAL 22 2HG2 VAL 22 5.200 -5.758 -6.115
156 H ARG 23 H ARG 23 9.273 -8.620 -2.830
157 HA ARG 23 HA ARG 23 11.493 -9.414 -3.014
158 HB2 ARG 23 2HB ARG 23 10.146 -9.716 -5.591
159 HB3 ARG 23 1HB ARG 23 11.893 -9.557 -5.773
160 HG2 ARG 23 2HG ARG 23 12.110 -11.709 -5.155
161 HG3 ARG 23 1HG ARG 23 11.481 -11.275 -3.564
162 HD2 ARG 23 2HD ARG 23 10.039 -13.013 -4.408
163 HD3 ARG 23 1HD ARG 23 9.136 -11.496 -4.594
164 HE ARG 23 HE ARG 23 10.611 -11.733 -6.948
165 HH11 ARG 23 1HH2 ARG 23 8.311 -13.625 -5.198
166 HH12 ARG 23 2HH2 ARG 23 7.656 -14.373 -6.616
167 HH21 ARG 23 1HH1 ARG 23 9.764 -12.703 -8.803
168 HH22 ARG 23 2HH1 ARG 23 8.476 -13.852 -8.653
169 H GLY 24 H GLY 24 11.679 -6.891 -2.378
170 HA2 GLY 24 2HA GLY 24 13.444 -5.266 -2.514
171 HA3 GLY 24 1HA GLY 24 13.780 -5.807 -4.160
172 H SER 25 H SER 25 10.457 -5.383 -3.557
173 HA SER 25 HA SER 25 10.523 -2.605 -4.684
174 HB2 SER 25 2HB SER 25 9.551 -5.125 -5.808
175 HB3 SER 25 1HB SER 25 8.299 -3.886 -5.779
176 HG SER 25 HG SER 25 9.684 -2.523 -6.907
177 H CYS 26 H CYS 26 7.972 -1.898 -4.688
178 HA CYS 26 HA CYS 26 6.625 -2.823 -2.208
179 HB2 CYS 26 2HB CYS 26 8.120 -1.134 -1.386
180 HB3 CYS 26 1HB CYS 26 7.745 -0.057 -2.732
181 H GLN 27 H GLN 27 4.570 -3.187 -2.962
182 HA GLN 27 HA GLN 27 3.414 -1.236 -4.928
183 HB2 GLN 27 2HB GLN 27 3.197 -4.201 -4.472
184 HB3 GLN 27 1HB GLN 27 1.867 -3.352 -5.260
185 HG2 GLN 27 2HG GLN 27 4.571 -2.690 -6.272
186 HG3 GLN 27 1HG GLN 27 4.018 -4.332 -6.602
187 HE21 GLN 27 1HE2 GLN 27 2.108 -4.598 -7.967
188 HE22 GLN 27 2HE2 GLN 27 1.498 -3.313 -8.894
189 H CYS 28 H CYS 28 1.055 -0.836 -4.641
190 HA CYS 28 HA CYS 28 -0.067 -1.482 -1.968
191 HB2 CYS 28 2HB CYS 28 0.394 1.327 -3.028
192 HB3 CYS 28 1HB CYS 28 -0.433 0.930 -1.522
193 H ARG 29 H ARG 29 -2.346 -0.206 -1.897
194 HA ARG 29 HA ARG 29 -3.607 -0.147 -4.593
195 HB2 ARG 29 2HB ARG 29 -3.728 -2.297 -2.671
196 HB3 ARG 29 1HB ARG 29 -5.337 -1.605 -2.882
197 HG2 ARG 29 2HG ARG 29 -4.009 -1.840 -5.441
198 HG3 ARG 29 1HG ARG 29 -4.022 -3.399 -4.614
199 HD2 ARG 29 2HD ARG 29 -6.507 -3.020 -4.174
200 HD3 ARG 29 1HD ARG 29 -6.405 -1.657 -5.308
201 HE ARG 29 HE ARG 29 -6.218 -3.222 -7.065
202 HH11 ARG 29 1HH2 ARG 29 -5.392 -4.622 -4.016
203 HH12 ARG 29 2HH2 ARG 29 -5.189 -6.217 -4.659
204 HH21 ARG 29 1HH1 ARG 29 -5.955 -5.298 -7.912
205 HH22 ARG 29 2HH1 ARG 29 -5.508 -6.600 -6.861
206 H ARG 30 H ARG 30 -5.839 0.783 -4.459
207 HA ARG 30 HA ARG 30 -6.154 2.558 -2.055
208 HB2 ARG 30 2HB ARG 30 -5.926 3.051 -4.892
209 HB3 ARG 30 1HB ARG 30 -7.493 3.623 -4.317
210 HG2 ARG 30 2HG ARG 30 -5.879 4.513 -2.313
211 HG3 ARG 30 1HG ARG 30 -4.777 4.617 -3.687
212 HD2 ARG 30 2HD ARG 30 -7.139 5.646 -4.721
213 HD3 ARG 30 1HD ARG 30 -7.111 6.277 -3.063
214 HE ARG 30 HE ARG 30 -5.242 7.580 -3.671
215 HH11 ARG 30 1HH2 ARG 30 -5.658 4.886 -5.793
216 HH12 ARG 30 2HH2 ARG 30 -4.363 5.350 -6.845
217 HH21 ARG 30 1HH1 ARG 30 -3.550 8.191 -5.035
218 HH22 ARG 30 2HH1 ARG 30 -3.171 7.217 -6.415
219 H THR 31 H THR 31 -8.301 2.816 -1.265
220 HA THR 31 HA THR 31 -10.177 0.654 -2.041
221 HB THR 31 HB THR 31 -11.293 1.342 0.054
222 HG1 THR 31 1HG THR 31 -11.012 3.499 0.117
223 HG21 THR 31 3HG2 THR 31 -9.278 -0.156 0.090
224 HG22 THR 31 1HG2 THR 31 -9.506 0.760 1.579
225 HG23 THR 31 2HG2 THR 31 -8.286 1.268 0.410
226 H SER 32 H SER 32 -12.358 1.114 -2.684
227 HA SER 32 HA SER 32 -12.758 3.883 -3.765
228 HB2 SER 32 2HB SER 32 -13.544 1.108 -4.631
229 HB3 SER 32 1HB SER 32 -14.431 2.507 -5.230
230 HG SER 32 HG SER 32 -12.436 1.672 -6.396
231 H GLY 33 H GLY 33 -14.149 1.310 -1.805
232 HA2 GLY 33 2HA GLY 33 -16.129 3.216 -0.744
233 HA3 GLY 33 1HA GLY 33 -16.801 1.803 -1.558
Start of MODEL 23
1 H1 ALA 1 1HT ALA 1 14.206 -6.172 -0.311
2 H2 ALA 1 2HT ALA 1 14.221 -7.115 1.102
3 H3 ALA 1 3HT ALA 1 15.570 -7.105 0.070
4 HA ALA 1 HA ALA 1 15.497 -5.644 2.263
5 HB1 ALA 1 2HB ALA 1 16.597 -4.838 -0.449
6 HB2 ALA 1 3HB ALA 1 17.332 -6.020 0.633
7 HB3 ALA 1 1HB ALA 1 17.234 -4.325 1.113
8 H CYS 2 H CYS 2 12.824 -5.248 1.284
9 HA CYS 2 HA CYS 2 12.755 -2.336 0.599
10 HB2 CYS 2 2HB CYS 2 10.422 -2.890 -0.068
11 HB3 CYS 2 1HB CYS 2 11.596 -3.923 -0.886
12 H ASN 3 H ASN 3 11.901 -4.685 3.060
13 HA ASN 3 HA ASN 3 11.091 -4.368 5.261
14 HB2 ASN 3 2HB ASN 3 12.870 -2.532 4.993
15 HB3 ASN 3 1HB ASN 3 11.526 -1.427 4.691
16 HD21 ASN 3 1HD2 ASN 3 11.992 -4.131 7.046
17 HD22 ASN 3 2HD2 ASN 3 11.575 -3.208 8.407
18 H ASP 4 H ASP 4 8.943 -4.493 5.775
19 HA ASP 4 HA ASP 4 6.903 -3.310 4.066
20 HB2 ASP 4 2HB ASP 4 6.705 -4.667 6.774
21 HB3 ASP 4 1HB ASP 4 5.406 -4.491 5.594
22 H ARG 5 H ARG 5 8.582 -2.298 6.929
23 HA ARG 5 HA ARG 5 6.574 -0.574 8.066
24 HB2 ARG 5 2HB ARG 5 8.852 -1.519 8.952
25 HB3 ARG 5 1HB ARG 5 9.546 -0.089 8.186
26 HG2 ARG 5 2HG ARG 5 8.801 1.254 9.836
27 HG3 ARG 5 1HG ARG 5 7.173 0.584 9.727
28 HD2 ARG 5 2HD ARG 5 7.512 -0.818 11.493
29 HD3 ARG 5 1HD ARG 5 9.145 -1.248 10.945
30 HE ARG 5 HE ARG 5 9.989 0.499 12.290
31 HH11 ARG 5 1HH2 ARG 5 6.621 0.898 11.639
32 HH12 ARG 5 2HH2 ARG 5 6.450 2.269 12.683
33 HH21 ARG 5 1HH1 ARG 5 9.778 2.284 13.653
34 HH22 ARG 5 2HH1 ARG 5 8.236 3.054 13.822
35 H ASP 6 H ASP 6 9.446 0.228 6.061
36 HA ASP 6 HA ASP 6 8.502 2.953 5.595
37 HB2 ASP 6 2HB ASP 6 10.706 1.325 4.289
38 HB3 ASP 6 1HB ASP 6 10.571 3.082 4.299
39 H CYS 7 H CYS 7 7.706 -0.048 4.256
40 HA CYS 7 HA CYS 7 7.276 0.952 1.505
41 HB2 CYS 7 2HB CYS 7 8.122 -1.325 1.971
42 HB3 CYS 7 1HB CYS 7 6.650 -1.684 2.877
43 H SER 8 H SER 8 5.344 -0.144 4.301
44 HA SER 8 HA SER 8 2.791 0.367 2.979
45 HB2 SER 8 2HB SER 8 3.336 0.076 5.936
46 HB3 SER 8 1HB SER 8 1.904 -0.417 5.041
47 HG SER 8 HG SER 8 2.863 -2.262 4.807
48 H LEU 9 H LEU 9 4.746 2.019 5.479
49 HA LEU 9 HA LEU 9 2.982 4.119 6.138
50 HB2 LEU 9 2HB LEU 9 5.981 3.827 5.944
51 HB3 LEU 9 1HB LEU 9 5.252 5.332 6.506
52 HG LEU 9 HG LEU 9 4.595 2.627 7.696
53 HD11 LEU 9 1HD1 LEU 9 7.049 3.491 7.904
54 HD12 LEU 9 2HD1 LEU 9 6.207 2.977 9.368
55 HD13 LEU 9 3HD1 LEU 9 6.359 4.694 8.994
56 HD21 LEU 9 3HD2 LEU 9 4.093 4.479 9.604
57 HD22 LEU 9 1HD2 LEU 9 2.883 3.967 8.428
58 HD23 LEU 9 2HD2 LEU 9 3.796 5.452 8.165
59 H ASP 10 H ASP 10 5.445 4.036 3.534
60 HA ASP 10 HA ASP 10 4.852 6.649 2.495
61 HB2 ASP 10 2HB ASP 10 6.589 4.436 2.021
62 HB3 ASP 10 1HB ASP 10 5.821 4.841 0.484
63 H CYS 11 H CYS 11 3.525 3.428 1.839
64 HA CYS 11 HA CYS 11 2.051 4.127 -0.538
65 HB2 CYS 11 2HB CYS 11 2.046 1.955 1.533
66 HB3 CYS 11 1HB CYS 11 0.722 2.025 0.371
67 H ILE 12 H ILE 12 1.103 3.929 2.910
68 HA ILE 12 HA ILE 12 -1.637 4.716 2.492
69 HB ILE 12 HB ILE 12 0.208 4.919 4.897
70 HG12 ILE 12 2HG1 ILE 12 -1.833 2.771 4.300
71 HG13 ILE 12 1HG1 ILE 12 -0.166 2.642 3.738
72 HG21 ILE 12 1HG2 ILE 12 -1.793 6.287 5.201
73 HG22 ILE 12 2HG2 ILE 12 -1.927 4.831 6.187
74 HG23 ILE 12 3HG2 ILE 12 -2.817 4.953 4.670
75 HD11 ILE 12 3HD1 ILE 12 0.689 2.432 5.882
76 HD12 ILE 12 1HD1 ILE 12 -0.877 1.650 6.094
77 HD13 ILE 12 2HD1 ILE 12 -0.647 3.320 6.614
78 H MET 13 H MET 13 1.352 6.528 3.074
79 HA MET 13 HA MET 13 0.138 9.071 3.648
80 HB2 MET 13 2HB MET 13 2.670 7.922 3.555
81 HB3 MET 13 1HB MET 13 2.719 9.120 2.264
82 HG2 MET 13 2HG MET 13 2.480 10.892 3.710
83 HG3 MET 13 1HG MET 13 1.493 9.969 4.841
84 HE1 MET 13 3HE MET 13 5.670 9.425 3.707
85 HE2 MET 13 1HE MET 13 5.694 10.978 4.552
86 HE3 MET 13 2HE MET 13 4.568 10.712 3.224
87 H LYS 14 H LYS 14 1.159 7.509 0.615
88 HA LYS 14 HA LYS 14 0.823 9.760 -1.113
89 HB2 LYS 14 2HB LYS 14 0.691 6.758 -1.433
90 HB3 LYS 14 1HB LYS 14 0.518 7.842 -2.813
91 HG2 LYS 14 2HG LYS 14 2.710 8.940 -1.922
92 HG3 LYS 14 1HG LYS 14 2.907 7.432 -1.028
93 HD2 LYS 14 2HD LYS 14 3.349 6.221 -2.910
94 HD3 LYS 14 1HD LYS 14 2.183 7.121 -3.881
95 HE2 LYS 14 2HE LYS 14 4.572 8.657 -2.994
96 HE3 LYS 14 1HE LYS 14 4.858 7.398 -4.212
97 HZ1 LYS 14 3HZ LYS 14 2.773 9.515 -4.347
98 HZ2 LYS 14 1HZ LYS 14 2.988 8.278 -5.489
99 HZ3 LYS 14 2HZ LYS 14 4.194 9.458 -5.278
100 H GLY 15 H GLY 15 -1.493 7.515 0.297
101 HA2 GLY 15 2HA GLY 15 -3.807 8.686 0.395
102 HA3 GLY 15 1HA GLY 15 -3.654 8.737 -1.362
103 H TYR 16 H TYR 16 -2.145 5.957 -0.522
104 HA TYR 16 HA TYR 16 -4.433 4.312 -1.346
105 HB2 TYR 16 2HB TYR 16 -1.561 3.713 -0.568
106 HB3 TYR 16 1HB TYR 16 -2.673 2.538 -1.265
107 HD1 TYR 16 1HD TYR 16 -0.753 5.631 -1.896
108 HD2 TYR 16 2HD TYR 16 -3.314 2.633 -3.602
109 HE1 TYR 16 1HE TYR 16 -0.186 6.439 -4.170
110 HE2 TYR 16 2HE TYR 16 -2.747 3.442 -5.877
111 HH TYR 16 HH TYR 16 -0.178 5.664 -6.447
112 H ASN 17 H ASN 17 -4.537 2.096 -0.016
113 HA ASN 17 HA ASN 17 -4.999 2.859 2.837
114 HB2 ASN 17 2HB ASN 17 -6.651 1.767 0.998
115 HB3 ASN 17 1HB ASN 17 -5.951 0.290 1.662
116 HD21 ASN 17 1HD2 ASN 17 -6.741 3.393 3.309
117 HD22 ASN 17 2HD2 ASN 17 -7.788 2.694 4.447
118 H PHE 18 H PHE 18 -3.664 0.212 0.832
119 HA PHE 18 HA PHE 18 -1.602 -0.301 2.889
120 HB2 PHE 18 2HB PHE 18 -2.312 -2.731 2.962
121 HB3 PHE 18 1HB PHE 18 -3.467 -1.619 3.695
122 HD1 PHE 18 2HD PHE 18 -2.728 -3.640 0.671
123 HD2 PHE 18 1HD PHE 18 -5.647 -1.275 2.754
124 HE1 PHE 18 2HE PHE 18 -4.484 -4.430 -0.892
125 HE2 PHE 18 1HE PHE 18 -7.403 -2.067 1.192
126 HZ PHE 18 HZ PHE 18 -6.822 -3.643 -0.631
127 H GLY 19 H GLY 19 0.255 -1.146 1.934
128 HA2 GLY 19 2HA GLY 19 0.030 -1.910 -0.953
129 HA3 GLY 19 1HA GLY 19 1.399 -1.003 -0.309
130 H LYS 20 H LYS 20 2.881 -2.659 -0.978
131 HA LYS 20 HA LYS 20 3.449 -4.658 1.007
132 HB2 LYS 20 2HB LYS 20 1.346 -5.292 -0.697
133 HB3 LYS 20 1HB LYS 20 2.721 -6.121 -1.427
134 HG2 LYS 20 2HG LYS 20 3.242 -7.199 0.713
135 HG3 LYS 20 1HG LYS 20 1.914 -6.333 1.488
136 HD2 LYS 20 2HD LYS 20 0.471 -7.926 0.831
137 HD3 LYS 20 1HD LYS 20 0.898 -7.633 -0.854
138 HE2 LYS 20 2HE LYS 20 2.811 -9.177 -0.660
139 HE3 LYS 20 1HE LYS 20 2.411 -9.462 1.046
140 HZ1 LYS 20 3HZ LYS 20 0.675 -10.007 -1.304
141 HZ2 LYS 20 1HZ LYS 20 0.157 -10.115 0.307
142 HZ3 LYS 20 2HZ LYS 20 1.369 -11.159 -0.264
143 H CYS 21 H CYS 21 5.272 -6.108 0.244
144 HA CYS 21 HA CYS 21 7.109 -4.575 -1.468
145 HB2 CYS 21 2HB CYS 21 7.606 -5.769 0.743
146 HB3 CYS 21 1HB CYS 21 7.502 -7.277 -0.162
147 H VAL 22 H VAL 22 7.840 -5.241 -3.503
148 HA VAL 22 HA VAL 22 6.646 -7.753 -4.625
149 HB VAL 22 HB VAL 22 6.760 -4.927 -5.684
150 HG11 VAL 22 1HG1 VAL 22 5.653 -6.535 -7.689
151 HG12 VAL 22 2HG1 VAL 22 7.102 -7.402 -7.181
152 HG13 VAL 22 3HG1 VAL 22 7.224 -5.735 -7.742
153 HG21 VAL 22 3HG2 VAL 22 4.798 -6.020 -4.347
154 HG22 VAL 22 1HG2 VAL 22 4.479 -6.886 -5.849
155 HG23 VAL 22 2HG2 VAL 22 4.422 -5.124 -5.820
156 H ARG 23 H ARG 23 8.738 -8.789 -4.258
157 HA ARG 23 HA ARG 23 10.925 -9.425 -4.897
158 HB2 ARG 23 2HB ARG 23 9.822 -8.013 -7.339
159 HB3 ARG 23 1HB ARG 23 11.358 -8.879 -7.354
160 HG2 ARG 23 2HG ARG 23 10.324 -10.961 -6.933
161 HG3 ARG 23 1HG ARG 23 8.831 -10.205 -6.379
162 HD2 ARG 23 2HD ARG 23 8.064 -9.828 -8.527
163 HD3 ARG 23 1HD ARG 23 9.700 -9.628 -9.183
164 HE ARG 23 HE ARG 23 9.664 -12.264 -8.359
165 HH11 ARG 23 1HH2 ARG 23 7.664 -10.277 -10.353
166 HH12 ARG 23 2HH2 ARG 23 7.162 -11.584 -11.373
167 HH21 ARG 23 1HH1 ARG 23 9.012 -13.975 -9.682
168 HH22 ARG 23 2HH1 ARG 23 7.922 -13.674 -10.994
169 H GLY 24 H GLY 24 11.602 -7.715 -3.217
170 HA2 GLY 24 2HA GLY 24 13.046 -5.967 -2.609
171 HA3 GLY 24 1HA GLY 24 13.745 -6.136 -4.220
172 H SER 25 H SER 25 10.346 -5.411 -3.777
173 HA SER 25 HA SER 25 10.857 -2.556 -4.519
174 HB2 SER 25 2HB SER 25 8.711 -4.259 -5.786
175 HB3 SER 25 1HB SER 25 9.385 -2.740 -6.369
176 HG SER 25 HG SER 25 11.448 -4.121 -6.323
177 H CYS 26 H CYS 26 8.594 -1.366 -4.420
178 HA CYS 26 HA CYS 26 6.941 -2.470 -2.183
179 HB2 CYS 26 2HB CYS 26 8.639 -0.930 -1.288
180 HB3 CYS 26 1HB CYS 26 8.136 0.311 -2.436
181 H GLN 27 H GLN 27 4.840 -2.474 -2.859
182 HA GLN 27 HA GLN 27 3.974 -0.363 -4.811
183 HB2 GLN 27 2HB GLN 27 3.751 -3.292 -4.696
184 HB3 GLN 27 1HB GLN 27 2.218 -2.491 -5.036
185 HG2 GLN 27 2HG GLN 27 4.556 -1.437 -6.517
186 HG3 GLN 27 1HG GLN 27 4.057 -3.073 -6.950
187 HE21 GLN 27 1HE2 GLN 27 3.171 -2.377 -9.028
188 HE22 GLN 27 2HE2 GLN 27 1.739 -1.469 -9.117
189 H CYS 28 H CYS 28 1.665 0.263 -4.582
190 HA CYS 28 HA CYS 28 0.682 -0.062 -1.763
191 HB2 CYS 28 2HB CYS 28 0.216 2.264 -3.649
192 HB3 CYS 28 1HB CYS 28 -0.061 2.224 -1.909
193 H ARG 29 H ARG 29 -1.475 -0.679 -1.535
194 HA ARG 29 HA ARG 29 -3.046 -1.025 -4.070
195 HB2 ARG 29 2HB ARG 29 -2.242 -2.810 -1.922
196 HB3 ARG 29 1HB ARG 29 -3.997 -2.786 -2.098
197 HG2 ARG 29 2HG ARG 29 -3.237 -2.888 -4.710
198 HG3 ARG 29 1HG ARG 29 -1.932 -3.803 -3.954
199 HD2 ARG 29 2HD ARG 29 -4.894 -4.345 -3.529
200 HD3 ARG 29 1HD ARG 29 -3.821 -5.294 -4.579
201 HE ARG 29 HE ARG 29 -2.538 -5.113 -2.072
202 HH11 ARG 29 1HH2 ARG 29 -5.448 -6.369 -3.446
203 HH12 ARG 29 2HH2 ARG 29 -5.580 -7.664 -2.305
204 HH21 ARG 29 1HH1 ARG 29 -2.702 -6.797 -0.578
205 HH22 ARG 29 2HH1 ARG 29 -4.028 -7.906 -0.683
206 H ARG 30 H ARG 30 -5.205 -0.340 -4.018
207 HA ARG 30 HA ARG 30 -6.023 1.205 -1.593
208 HB2 ARG 30 2HB ARG 30 -6.103 1.568 -4.459
209 HB3 ARG 30 1HB ARG 30 -7.737 1.668 -3.803
210 HG2 ARG 30 2HG ARG 30 -5.452 3.140 -2.497
211 HG3 ARG 30 1HG ARG 30 -6.323 3.842 -3.860
212 HD2 ARG 30 2HD ARG 30 -8.265 2.813 -2.022
213 HD3 ARG 30 1HD ARG 30 -7.119 3.824 -1.119
214 HE ARG 30 HE ARG 30 -7.643 5.215 -3.499
215 HH11 ARG 30 1HH2 ARG 30 -9.392 3.998 -0.779
216 HH12 ARG 30 2HH2 ARG 30 -10.604 5.232 -0.846
217 HH21 ARG 30 1HH1 ARG 30 -9.220 6.826 -3.593
218 HH22 ARG 30 2HH1 ARG 30 -10.508 6.830 -2.436
219 H THR 31 H THR 31 -8.385 1.091 -1.052
220 HA THR 31 HA THR 31 -9.313 -1.699 -1.057
221 HB THR 31 HB THR 31 -11.171 0.232 0.028
222 HG1 THR 31 1HG THR 31 -8.571 0.455 1.088
223 HG21 THR 31 3HG2 THR 31 -11.022 -1.992 0.903
224 HG22 THR 31 1HG2 THR 31 -10.430 -0.917 2.169
225 HG23 THR 31 2HG2 THR 31 -9.289 -1.834 1.184
226 H SER 32 H SER 32 -12.087 -1.337 -1.128
227 HA SER 32 HA SER 32 -12.505 -0.801 -4.029
228 HB2 SER 32 2HB SER 32 -14.822 -1.872 -2.906
229 HB3 SER 32 1HB SER 32 -13.561 -2.783 -3.728
230 HG SER 32 HG SER 32 -13.239 -3.675 -1.858
231 H GLY 33 H GLY 33 -12.514 1.584 -3.705
232 HA2 GLY 33 2HA GLY 33 -14.174 3.365 -3.920
233 HA3 GLY 33 1HA GLY 33 -15.181 2.512 -2.749
Start of MODEL 24
1 H1 ALA 1 1HT ALA 1 16.766 -4.845 2.477
2 H2 ALA 1 2HT ALA 1 16.755 -3.155 2.296
3 H3 ALA 1 3HT ALA 1 17.760 -4.112 1.314
4 HA ALA 1 HA ALA 1 16.068 -3.793 -0.165
5 HB1 ALA 1 2HB ALA 1 14.763 -5.969 1.446
6 HB2 ALA 1 3HB ALA 1 16.385 -6.226 0.805
7 HB3 ALA 1 1HB ALA 1 15.046 -5.895 -0.293
8 H CYS 2 H CYS 2 13.344 -4.303 -0.084
9 HA CYS 2 HA CYS 2 12.349 -1.945 1.362
10 HB2 CYS 2 2HB CYS 2 10.424 -2.263 -0.012
11 HB3 CYS 2 1HB CYS 2 11.783 -2.758 -1.016
12 H ASN 3 H ASN 3 10.865 -2.007 3.097
13 HA ASN 3 HA ASN 3 10.483 -4.699 4.367
14 HB2 ASN 3 2HB ASN 3 11.417 -2.081 5.271
15 HB3 ASN 3 1HB ASN 3 10.120 -2.709 6.289
16 HD21 ASN 3 1HD2 ASN 3 12.551 -4.654 4.520
17 HD22 ASN 3 2HD2 ASN 3 13.259 -5.324 5.911
18 H ASP 4 H ASP 4 8.417 -5.026 5.462
19 HA ASP 4 HA ASP 4 6.121 -4.121 4.024
20 HB2 ASP 4 2HB ASP 4 6.628 -5.437 6.694
21 HB3 ASP 4 1HB ASP 4 4.988 -5.080 6.153
22 H ARG 5 H ARG 5 7.694 -2.938 6.970
23 HA ARG 5 HA ARG 5 5.586 -1.004 7.588
24 HB2 ARG 5 2HB ARG 5 7.445 -2.253 9.033
25 HB3 ARG 5 1HB ARG 5 8.397 -0.829 8.610
26 HG2 ARG 5 2HG ARG 5 6.599 0.625 9.494
27 HG3 ARG 5 1HG ARG 5 5.674 -0.807 9.946
28 HD2 ARG 5 2HD ARG 5 7.460 -1.515 11.480
29 HD3 ARG 5 1HD ARG 5 8.444 -0.118 10.997
30 HE ARG 5 HE ARG 5 5.784 0.679 11.839
31 HH11 ARG 5 1HH2 ARG 5 8.942 -0.250 12.886
32 HH12 ARG 5 2HH2 ARG 5 8.836 0.604 14.388
33 HH21 ARG 5 1HH1 ARG 5 5.635 1.795 13.796
34 HH22 ARG 5 2HH1 ARG 5 6.965 1.760 14.903
35 H ASP 6 H ASP 6 8.782 -0.945 6.030
36 HA ASP 6 HA ASP 6 8.770 1.956 5.648
37 HB2 ASP 6 2HB ASP 6 10.802 0.539 5.943
38 HB3 ASP 6 1HB ASP 6 10.440 -0.258 4.410
39 H CYS 7 H CYS 7 7.323 -0.705 4.059
40 HA CYS 7 HA CYS 7 7.245 0.649 1.413
41 HB2 CYS 7 2HB CYS 7 7.742 -1.722 1.462
42 HB3 CYS 7 1HB CYS 7 6.334 -2.042 2.474
43 H SER 8 H SER 8 5.121 -0.312 4.089
44 HA SER 8 HA SER 8 2.666 0.521 2.748
45 HB2 SER 8 2HB SER 8 1.666 -0.244 4.736
46 HB3 SER 8 1HB SER 8 3.135 -1.210 4.652
47 HG SER 8 HG SER 8 4.103 0.203 6.095
48 H LEU 9 H LEU 9 4.919 1.963 5.092
49 HA LEU 9 HA LEU 9 3.433 4.201 5.934
50 HB2 LEU 9 2HB LEU 9 6.298 3.483 5.526
51 HB3 LEU 9 1HB LEU 9 5.937 5.187 5.797
52 HG LEU 9 HG LEU 9 4.806 3.028 7.578
53 HD11 LEU 9 1HD1 LEU 9 7.348 4.604 8.064
54 HD12 LEU 9 2HD1 LEU 9 7.326 2.929 7.513
55 HD13 LEU 9 3HD1 LEU 9 6.662 3.347 9.093
56 HD21 LEU 9 3HD2 LEU 9 4.140 4.775 8.930
57 HD22 LEU 9 1HD2 LEU 9 4.113 5.613 7.378
58 HD23 LEU 9 2HD2 LEU 9 5.497 5.797 8.456
59 H ASP 10 H ASP 10 5.456 3.858 3.000
60 HA ASP 10 HA ASP 10 4.930 6.545 2.039
61 HB2 ASP 10 2HB ASP 10 6.907 5.225 1.424
62 HB3 ASP 10 1HB ASP 10 5.878 3.997 0.683
63 H CYS 11 H CYS 11 3.386 3.394 1.603
64 HA CYS 11 HA CYS 11 1.720 4.087 -0.636
65 HB2 CYS 11 2HB CYS 11 1.634 2.050 1.596
66 HB3 CYS 11 1HB CYS 11 0.387 2.102 0.349
67 H ILE 12 H ILE 12 1.266 4.336 2.887
68 HA ILE 12 HA ILE 12 -1.502 5.172 2.758
69 HB ILE 12 HB ILE 12 0.707 5.394 4.824
70 HG12 ILE 12 2HG1 ILE 12 -1.642 3.520 4.417
71 HG13 ILE 12 1HG1 ILE 12 0.072 3.107 4.376
72 HG21 ILE 12 1HG2 ILE 12 -1.637 6.896 4.772
73 HG22 ILE 12 2HG2 ILE 12 -0.664 6.547 6.202
74 HG23 ILE 12 3HG2 ILE 12 -2.044 5.524 5.805
75 HD11 ILE 12 3HD1 ILE 12 0.223 3.875 6.781
76 HD12 ILE 12 1HD1 ILE 12 -0.770 2.437 6.533
77 HD13 ILE 12 2HD1 ILE 12 -1.536 4.007 6.780
78 H MET 13 H MET 13 1.583 6.943 3.139
79 HA MET 13 HA MET 13 0.443 9.563 3.324
80 HB2 MET 13 2HB MET 13 2.933 8.354 3.457
81 HB3 MET 13 1HB MET 13 3.054 9.332 1.994
82 HG2 MET 13 2HG MET 13 2.227 11.301 3.285
83 HG3 MET 13 1HG MET 13 2.230 10.310 4.744
84 HE1 MET 13 3HE MET 13 4.417 13.203 3.959
85 HE2 MET 13 1HE MET 13 5.012 12.593 5.509
86 HE3 MET 13 2HE MET 13 3.288 12.562 5.150
87 H LYS 14 H LYS 14 1.195 7.485 0.581
88 HA LYS 14 HA LYS 14 1.087 9.503 -1.474
89 HB2 LYS 14 2HB LYS 14 0.915 6.519 -1.247
90 HB3 LYS 14 1HB LYS 14 0.468 7.268 -2.781
91 HG2 LYS 14 2HG LYS 14 2.772 8.604 -2.250
92 HG3 LYS 14 1HG LYS 14 3.127 7.052 -1.488
93 HD2 LYS 14 2HD LYS 14 2.599 5.872 -3.562
94 HD3 LYS 14 1HD LYS 14 2.139 7.390 -4.334
95 HE2 LYS 14 2HE LYS 14 4.565 8.160 -3.667
96 HE3 LYS 14 1HE LYS 14 4.883 6.415 -3.582
97 HZ1 LYS 14 3HZ LYS 14 5.192 7.399 -5.840
98 HZ2 LYS 14 1HZ LYS 14 3.527 7.729 -5.872
99 HZ3 LYS 14 2HZ LYS 14 4.072 6.121 -5.781
100 H GLY 15 H GLY 15 -1.348 7.876 0.394
101 HA2 GLY 15 2HA GLY 15 -3.588 9.036 0.344
102 HA3 GLY 15 1HA GLY 15 -3.449 9.004 -1.414
103 H TYR 16 H TYR 16 -2.102 6.174 -0.561
104 HA TYR 16 HA TYR 16 -4.556 4.666 -1.179
105 HB2 TYR 16 2HB TYR 16 -1.661 3.889 -0.692
106 HB3 TYR 16 1HB TYR 16 -2.910 2.797 -1.287
107 HD1 TYR 16 1HD TYR 16 -4.345 3.890 -3.327
108 HD2 TYR 16 2HD TYR 16 -0.283 4.837 -2.302
109 HE1 TYR 16 1HE TYR 16 -3.949 4.698 -5.639
110 HE2 TYR 16 2HE TYR 16 0.113 5.644 -4.613
111 HH TYR 16 HH TYR 16 -1.126 6.461 -6.509
112 H ASN 17 H ASN 17 -3.818 2.290 0.283
113 HA ASN 17 HA ASN 17 -4.245 3.174 3.118
114 HB2 ASN 17 2HB ASN 17 -6.064 1.974 1.361
115 HB3 ASN 17 1HB ASN 17 -5.504 0.647 2.382
116 HD21 ASN 17 1HD2 ASN 17 -8.063 2.544 2.288
117 HD22 ASN 17 2HD2 ASN 17 -8.286 2.918 3.928
118 H PHE 18 H PHE 18 -3.758 0.094 1.342
119 HA PHE 18 HA PHE 18 -1.423 -0.457 3.146
120 HB2 PHE 18 2HB PHE 18 -2.261 -2.823 3.133
121 HB3 PHE 18 1HB PHE 18 -3.397 -1.695 3.874
122 HD1 PHE 18 2HD PHE 18 -2.641 -3.645 0.809
123 HD2 PHE 18 1HD PHE 18 -5.530 -1.222 2.870
124 HE1 PHE 18 2HE PHE 18 -4.374 -4.306 -0.839
125 HE2 PHE 18 1HE PHE 18 -7.260 -1.884 1.223
126 HZ PHE 18 HZ PHE 18 -6.683 -3.426 -0.632
127 H GLY 19 H GLY 19 0.372 -1.322 2.103
128 HA2 GLY 19 2HA GLY 19 0.059 -1.940 -0.809
129 HA3 GLY 19 1HA GLY 19 1.466 -1.092 -0.167
130 H LYS 20 H LYS 20 2.671 -2.921 -1.197
131 HA LYS 20 HA LYS 20 3.243 -5.000 0.795
132 HB2 LYS 20 2HB LYS 20 1.185 -5.497 -0.911
133 HB3 LYS 20 1HB LYS 20 2.536 -6.105 -1.870
134 HG2 LYS 20 2HG LYS 20 2.688 -7.943 -0.581
135 HG3 LYS 20 1HG LYS 20 2.828 -6.953 0.874
136 HD2 LYS 20 2HD LYS 20 0.859 -8.274 1.174
137 HD3 LYS 20 1HD LYS 20 0.294 -6.657 0.754
138 HE2 LYS 20 2HE LYS 20 0.680 -7.981 -1.713
139 HE3 LYS 20 1HE LYS 20 -0.161 -9.138 -0.661
140 HZ1 LYS 20 3HZ LYS 20 -1.642 -7.501 -1.824
141 HZ2 LYS 20 1HZ LYS 20 -0.934 -6.282 -0.881
142 HZ3 LYS 20 2HZ LYS 20 -1.802 -7.537 -0.134
143 H CYS 21 H CYS 21 5.260 -6.063 0.327
144 HA CYS 21 HA CYS 21 7.007 -4.574 -1.525
145 HB2 CYS 21 2HB CYS 21 7.200 -6.351 0.808
146 HB3 CYS 21 1HB CYS 21 8.444 -6.661 -0.402
147 H VAL 22 H VAL 22 7.859 -5.421 -3.435
148 HA VAL 22 HA VAL 22 7.160 -8.246 -4.141
149 HB VAL 22 HB VAL 22 6.897 -5.833 -5.960
150 HG11 VAL 22 1HG1 VAL 22 6.903 -7.560 -7.452
151 HG12 VAL 22 2HG1 VAL 22 5.240 -7.776 -6.910
152 HG13 VAL 22 3HG1 VAL 22 6.528 -8.761 -6.216
153 HG21 VAL 22 3HG2 VAL 22 4.414 -6.205 -5.594
154 HG22 VAL 22 1HG2 VAL 22 5.273 -5.551 -4.201
155 HG23 VAL 22 2HG2 VAL 22 4.843 -7.261 -4.248
156 H ARG 23 H ARG 23 9.352 -8.920 -3.956
157 HA ARG 23 HA ARG 23 11.610 -9.159 -4.624
158 HB2 ARG 23 2HB ARG 23 10.458 -7.939 -7.154
159 HB3 ARG 23 1HB ARG 23 11.880 -8.977 -7.043
160 HG2 ARG 23 2HG ARG 23 10.352 -10.750 -6.036
161 HG3 ARG 23 1HG ARG 23 8.998 -9.730 -6.520
162 HD2 ARG 23 2HD ARG 23 10.478 -9.801 -8.838
163 HD3 ARG 23 1HD ARG 23 10.733 -11.431 -8.186
164 HE ARG 23 HE ARG 23 7.956 -10.541 -8.009
165 HH11 ARG 23 1HH2 ARG 23 10.406 -12.026 -9.940
166 HH12 ARG 23 2HH2 ARG 23 9.280 -12.904 -10.920
167 HH21 ARG 23 1HH1 ARG 23 6.481 -11.684 -9.281
168 HH22 ARG 23 2HH1 ARG 23 7.061 -12.712 -10.547
169 H GLY 24 H GLY 24 12.330 -7.434 -3.141
170 HA2 GLY 24 2HA GLY 24 13.257 -5.329 -2.621
171 HA3 GLY 24 1HA GLY 24 14.017 -5.508 -4.204
172 H SER 25 H SER 25 10.536 -5.273 -3.712
173 HA SER 25 HA SER 25 10.584 -2.490 -4.809
174 HB2 SER 25 2HB SER 25 10.209 -4.606 -6.403
175 HB3 SER 25 1HB SER 25 8.564 -4.463 -5.792
176 HG SER 25 HG SER 25 8.612 -3.120 -7.502
177 H CYS 26 H CYS 26 8.404 -1.429 -4.528
178 HA CYS 26 HA CYS 26 6.811 -2.627 -2.292
179 HB2 CYS 26 2HB CYS 26 8.356 -1.029 -1.339
180 HB3 CYS 26 1HB CYS 26 7.961 0.162 -2.578
181 H GLN 27 H GLN 27 4.658 -2.628 -2.798
182 HA GLN 27 HA GLN 27 3.698 -0.700 -4.889
183 HB2 GLN 27 2HB GLN 27 2.998 -3.570 -4.225
184 HB3 GLN 27 1HB GLN 27 1.992 -2.577 -5.278
185 HG2 GLN 27 2HG GLN 27 4.054 -2.127 -6.674
186 HG3 GLN 27 1HG GLN 27 4.888 -3.345 -5.708
187 HE21 GLN 27 1HE2 GLN 27 1.514 -3.320 -6.974
188 HE22 GLN 27 2HE2 GLN 27 1.671 -4.772 -7.839
189 H CYS 28 H CYS 28 1.436 0.018 -4.587
190 HA CYS 28 HA CYS 28 0.581 -0.070 -1.709
191 HB2 CYS 28 2HB CYS 28 0.270 2.124 -3.784
192 HB3 CYS 28 1HB CYS 28 -0.201 2.231 -2.088
193 H ARG 29 H ARG 29 -1.537 -0.697 -1.347
194 HA ARG 29 HA ARG 29 -3.313 -0.989 -3.750
195 HB2 ARG 29 2HB ARG 29 -2.681 -2.784 -1.414
196 HB3 ARG 29 1HB ARG 29 -4.207 -2.959 -2.281
197 HG2 ARG 29 2HG ARG 29 -2.082 -2.711 -4.195
198 HG3 ARG 29 1HG ARG 29 -1.657 -3.967 -3.032
199 HD2 ARG 29 2HD ARG 29 -3.764 -5.129 -3.434
200 HD3 ARG 29 1HD ARG 29 -4.318 -3.819 -4.496
201 HE ARG 29 HE ARG 29 -1.821 -4.605 -5.504
202 HH11 ARG 29 1HH2 ARG 29 -4.914 -6.012 -4.883
203 HH12 ARG 29 2HH2 ARG 29 -4.791 -7.164 -6.170
204 HH21 ARG 29 1HH1 ARG 29 -1.651 -6.104 -7.182
205 HH22 ARG 29 2HH1 ARG 29 -2.946 -7.216 -7.469
206 H ARG 30 H ARG 30 -5.362 -0.127 -3.516
207 HA ARG 30 HA ARG 30 -6.027 1.112 -0.876
208 HB2 ARG 30 2HB ARG 30 -5.921 2.085 -3.471
209 HB3 ARG 30 1HB ARG 30 -7.644 1.794 -3.230
210 HG2 ARG 30 2HG ARG 30 -6.661 2.976 -0.840
211 HG3 ARG 30 1HG ARG 30 -6.037 3.930 -2.185
212 HD2 ARG 30 2HD ARG 30 -8.957 3.140 -1.889
213 HD3 ARG 30 1HD ARG 30 -8.294 4.719 -1.417
214 HE ARG 30 HE ARG 30 -7.373 4.326 -4.015
215 HH11 ARG 30 1HH2 ARG 30 -10.426 4.376 -2.401
216 HH12 ARG 30 2HH2 ARG 30 -11.292 4.961 -3.782
217 HH21 ARG 30 1HH1 ARG 30 -8.492 5.089 -5.822
218 HH22 ARG 30 2HH1 ARG 30 -10.199 5.365 -5.715
219 H THR 31 H THR 31 -8.583 1.255 -0.650
220 HA THR 31 HA THR 31 -9.573 -1.497 -0.570
221 HB THR 31 HB THR 31 -11.644 -0.047 0.257
222 HG1 THR 31 1HG THR 31 -10.471 1.861 -0.610
223 HG21 THR 31 3HG2 THR 31 -10.893 -0.732 2.264
224 HG22 THR 31 1HG2 THR 31 -9.525 0.381 2.191
225 HG23 THR 31 2HG2 THR 31 -9.400 -1.221 1.463
226 H SER 32 H SER 32 -10.895 -2.439 -2.088
227 HA SER 32 HA SER 32 -12.129 -0.658 -4.167
228 HB2 SER 32 2HB SER 32 -10.207 -2.736 -4.355
229 HB3 SER 32 1HB SER 32 -11.702 -3.380 -5.028
230 HG SER 32 HG SER 32 -11.676 -1.086 -6.046
231 H GLY 33 H GLY 33 -12.545 -3.334 -1.948
232 HA2 GLY 33 2HA GLY 33 -15.403 -3.529 -2.815
233 HA3 GLY 33 1HA GLY 33 -14.492 -4.926 -2.242
Start of MODEL 25
1 H1 ALA 1 1HT ALA 1 16.820 -4.495 3.083
2 H2 ALA 1 2HT ALA 1 17.317 -3.658 1.690
3 H3 ALA 1 3HT ALA 1 17.845 -5.250 1.963
4 HA ALA 1 HA ALA 1 16.174 -5.668 0.469
5 HB1 ALA 1 2HB ALA 1 15.848 -6.776 2.687
6 HB2 ALA 1 3HB ALA 1 14.325 -6.517 1.836
7 HB3 ALA 1 1HB ALA 1 14.788 -5.449 3.161
8 H CYS 2 H CYS 2 13.325 -5.087 1.080
9 HA CYS 2 HA CYS 2 13.238 -2.335 -0.068
10 HB2 CYS 2 2HB CYS 2 10.980 -3.058 -0.778
11 HB3 CYS 2 1HB CYS 2 12.198 -4.230 -1.279
12 H ASN 3 H ASN 3 12.786 -3.945 2.887
13 HA ASN 3 HA ASN 3 11.843 -3.243 4.938
14 HB2 ASN 3 2HB ASN 3 11.802 -0.582 3.481
15 HB3 ASN 3 1HB ASN 3 11.833 -0.821 5.228
16 HD21 ASN 3 1HD2 ASN 3 13.894 0.643 3.809
17 HD22 ASN 3 2HD2 ASN 3 15.342 -0.229 3.958
18 H ASP 4 H ASP 4 9.815 -4.299 4.861
19 HA ASP 4 HA ASP 4 7.597 -3.425 3.232
20 HB2 ASP 4 2HB ASP 4 8.285 -5.458 5.185
21 HB3 ASP 4 1HB ASP 4 6.659 -4.843 5.480
22 H ARG 5 H ARG 5 8.564 -2.791 6.600
23 HA ARG 5 HA ARG 5 6.195 -1.408 7.420
24 HB2 ARG 5 2HB ARG 5 8.296 -2.341 8.689
25 HB3 ARG 5 1HB ARG 5 8.969 -0.739 8.379
26 HG2 ARG 5 2HG ARG 5 7.911 -0.205 10.331
27 HG3 ARG 5 1HG ARG 5 6.500 -0.058 9.285
28 HD2 ARG 5 2HD ARG 5 5.538 -1.975 10.103
29 HD3 ARG 5 1HD ARG 5 7.099 -2.805 10.257
30 HE ARG 5 HE ARG 5 5.831 -1.212 12.326
31 HH11 ARG 5 1HH2 ARG 5 8.832 -2.146 10.893
32 HH12 ARG 5 2HH2 ARG 5 9.746 -1.906 12.344
33 HH21 ARG 5 1HH1 ARG 5 7.015 -0.898 14.222
34 HH22 ARG 5 2HH1 ARG 5 8.720 -1.201 14.226
35 H ASP 6 H ASP 6 9.205 -0.265 5.887
36 HA ASP 6 HA ASP 6 8.384 2.543 5.952
37 HB2 ASP 6 2HB ASP 6 10.689 0.890 5.286
38 HB3 ASP 6 1HB ASP 6 10.447 2.165 4.090
39 H CYS 7 H CYS 7 7.959 -0.158 3.789
40 HA CYS 7 HA CYS 7 7.424 1.438 1.400
41 HB2 CYS 7 2HB CYS 7 8.257 -0.790 1.144
42 HB3 CYS 7 1HB CYS 7 7.037 -1.445 2.238
43 H SER 8 H SER 8 5.503 -0.044 3.986
44 HA SER 8 HA SER 8 2.942 0.569 2.702
45 HB2 SER 8 2HB SER 8 3.868 -0.475 5.381
46 HB3 SER 8 1HB SER 8 2.167 -0.161 5.055
47 HG SER 8 HG SER 8 3.913 -1.887 3.623
48 H LEU 9 H LEU 9 5.003 1.998 5.211
49 HA LEU 9 HA LEU 9 3.155 3.917 6.238
50 HB2 LEU 9 2HB LEU 9 6.095 3.470 6.119
51 HB3 LEU 9 1HB LEU 9 5.571 5.107 6.515
52 HG LEU 9 HG LEU 9 4.478 2.656 7.915
53 HD11 LEU 9 1HD1 LEU 9 6.024 3.374 9.789
54 HD12 LEU 9 2HD1 LEU 9 6.832 4.425 8.626
55 HD13 LEU 9 3HD1 LEU 9 6.839 2.677 8.389
56 HD21 LEU 9 3HD2 LEU 9 3.212 4.135 9.066
57 HD22 LEU 9 1HD2 LEU 9 3.662 5.325 7.845
58 HD23 LEU 9 2HD2 LEU 9 4.589 5.201 9.342
59 H ASP 10 H ASP 10 5.673 4.302 3.704
60 HA ASP 10 HA ASP 10 4.984 6.983 2.983
61 HB2 ASP 10 2HB ASP 10 6.767 4.893 2.218
62 HB3 ASP 10 1HB ASP 10 5.967 5.460 0.752
63 H CYS 11 H CYS 11 3.646 3.862 2.053
64 HA CYS 11 HA CYS 11 2.140 4.810 -0.236
65 HB2 CYS 11 2HB CYS 11 2.407 2.385 1.461
66 HB3 CYS 11 1HB CYS 11 0.881 2.553 0.593
67 H ILE 12 H ILE 12 1.252 4.076 3.156
68 HA ILE 12 HA ILE 12 -1.500 4.831 2.941
69 HB ILE 12 HB ILE 12 0.518 4.696 5.195
70 HG12 ILE 12 2HG1 ILE 12 -1.835 2.949 4.396
71 HG13 ILE 12 1HG1 ILE 12 -0.135 2.572 4.109
72 HG21 ILE 12 1HG2 ILE 12 -0.923 5.845 6.492
73 HG22 ILE 12 2HG2 ILE 12 -2.093 4.548 6.247
74 HG23 ILE 12 3HG2 ILE 12 -2.093 5.949 5.175
75 HD11 ILE 12 3HD1 ILE 12 -0.027 1.649 6.156
76 HD12 ILE 12 1HD1 ILE 12 -1.694 2.123 6.485
77 HD13 ILE 12 2HD1 ILE 12 -0.372 3.228 6.859
78 H MET 13 H MET 13 1.428 6.701 3.197
79 HA MET 13 HA MET 13 0.167 9.145 4.180
80 HB2 MET 13 2HB MET 13 2.755 8.073 3.749
81 HB3 MET 13 1HB MET 13 2.651 9.523 2.752
82 HG2 MET 13 2HG MET 13 1.455 10.326 5.111
83 HG3 MET 13 1HG MET 13 2.754 9.272 5.673
84 HE1 MET 13 3HE MET 13 5.184 10.841 6.293
85 HE2 MET 13 1HE MET 13 3.525 10.932 6.898
86 HE3 MET 13 2HE MET 13 4.380 12.402 6.434
87 H LYS 14 H LYS 14 1.211 7.900 1.002
88 HA LYS 14 HA LYS 14 0.686 10.223 -0.553
89 HB2 LYS 14 2HB LYS 14 0.704 7.246 -1.032
90 HB3 LYS 14 1HB LYS 14 0.321 8.360 -2.345
91 HG2 LYS 14 2HG LYS 14 2.580 9.478 -1.145
92 HG3 LYS 14 1HG LYS 14 2.907 7.744 -1.148
93 HD2 LYS 14 2HD LYS 14 3.608 8.149 -3.283
94 HD3 LYS 14 1HD LYS 14 1.886 8.047 -3.647
95 HE2 LYS 14 2HE LYS 14 1.963 10.638 -2.966
96 HE3 LYS 14 1HE LYS 14 3.646 10.458 -3.503
97 HZ1 LYS 14 3HZ LYS 14 1.244 10.420 -5.057
98 HZ2 LYS 14 1HZ LYS 14 2.181 9.032 -5.325
99 HZ3 LYS 14 2HZ LYS 14 2.855 10.572 -5.570
100 H GLY 15 H GLY 15 -1.449 7.437 0.177
101 HA2 GLY 15 2HA GLY 15 -3.825 8.483 0.754
102 HA3 GLY 15 1HA GLY 15 -3.744 8.944 -0.947
103 H TYR 16 H TYR 16 -2.489 5.923 0.429
104 HA TYR 16 HA TYR 16 -4.401 4.449 -1.334
105 HB2 TYR 16 2HB TYR 16 -1.649 3.885 -0.205
106 HB3 TYR 16 1HB TYR 16 -2.613 2.647 -1.004
107 HD1 TYR 16 2HD TYR 16 -3.514 3.181 -3.374
108 HD2 TYR 16 1HD TYR 16 -0.349 5.380 -1.477
109 HE1 TYR 16 2HE TYR 16 -2.783 4.040 -5.584
110 HE2 TYR 16 1HE TYR 16 0.382 6.237 -3.687
111 HH TYR 16 HH TYR 16 0.212 5.684 -6.019
112 H ASN 17 H ASN 17 -4.204 1.941 -0.126
113 HA ASN 17 HA ASN 17 -5.243 2.419 2.649
114 HB2 ASN 17 2HB ASN 17 -7.027 2.069 0.955
115 HB3 ASN 17 1HB ASN 17 -6.292 0.526 0.520
116 HD21 ASN 17 1HD2 ASN 17 -8.691 -0.065 1.308
117 HD22 ASN 17 2HD2 ASN 17 -8.818 -0.492 2.945
118 H PHE 18 H PHE 18 -4.209 -0.212 0.432
119 HA PHE 18 HA PHE 18 -2.632 -1.361 2.710
120 HB2 PHE 18 2HB PHE 18 -3.373 -3.601 1.653
121 HB3 PHE 18 1HB PHE 18 -4.596 -2.694 2.545
122 HD1 PHE 18 1HD PHE 18 -6.185 -1.185 1.255
123 HD2 PHE 18 2HD PHE 18 -3.639 -4.064 -0.661
124 HE1 PHE 18 1HE PHE 18 -7.595 -1.075 -0.781
125 HE2 PHE 18 2HE PHE 18 -5.049 -3.955 -2.698
126 HZ PHE 18 HZ PHE 18 -7.027 -2.460 -2.758
127 H GLY 19 H GLY 19 -0.679 -2.429 2.058
128 HA2 GLY 19 2HA GLY 19 -0.013 -2.586 -0.801
129 HA3 GLY 19 1HA GLY 19 0.923 -1.404 0.113
130 H LYS 20 H LYS 20 2.575 -3.137 -0.808
131 HA LYS 20 HA LYS 20 3.590 -4.614 1.461
132 HB2 LYS 20 2HB LYS 20 3.223 -6.882 0.382
133 HB3 LYS 20 1HB LYS 20 1.748 -6.096 0.949
134 HG2 LYS 20 2HG LYS 20 0.932 -6.364 -1.139
135 HG3 LYS 20 1HG LYS 20 2.083 -5.130 -1.651
136 HD2 LYS 20 2HD LYS 20 2.987 -6.727 -2.972
137 HD3 LYS 20 1HD LYS 20 3.642 -7.420 -1.487
138 HE2 LYS 20 2HE LYS 20 0.813 -8.115 -2.100
139 HE3 LYS 20 1HE LYS 20 2.048 -8.836 -3.153
140 HZ1 LYS 20 3HZ LYS 20 1.806 -9.014 -0.211
141 HZ2 LYS 20 1HZ LYS 20 3.293 -9.279 -0.982
142 HZ3 LYS 20 2HZ LYS 20 1.965 -10.275 -1.338
143 H CYS 21 H CYS 21 5.503 -6.052 0.689
144 HA CYS 21 HA CYS 21 6.992 -4.550 -1.383
145 HB2 CYS 21 2HB CYS 21 7.967 -5.099 0.830
146 HB3 CYS 21 1HB CYS 21 7.762 -6.817 0.483
147 H VAL 22 H VAL 22 7.453 -5.388 -3.406
148 HA VAL 22 HA VAL 22 6.498 -8.174 -3.975
149 HB VAL 22 HB VAL 22 6.888 -5.887 -5.921
150 HG11 VAL 22 1HG1 VAL 22 5.349 -8.493 -5.937
151 HG12 VAL 22 2HG1 VAL 22 6.658 -8.007 -7.014
152 HG13 VAL 22 3HG1 VAL 22 5.084 -7.220 -7.128
153 HG21 VAL 22 3HG2 VAL 22 5.301 -4.922 -4.516
154 HG22 VAL 22 1HG2 VAL 22 4.648 -6.482 -4.014
155 HG23 VAL 22 2HG2 VAL 22 4.259 -5.835 -5.607
156 H ARG 23 H ARG 23 8.630 -9.044 -3.358
157 HA ARG 23 HA ARG 23 10.828 -9.760 -3.849
158 HB2 ARG 23 2HB ARG 23 9.274 -9.426 -6.293
159 HB3 ARG 23 1HB ARG 23 11.001 -9.230 -6.594
160 HG2 ARG 23 2HG ARG 23 11.465 -11.413 -6.120
161 HG3 ARG 23 1HG ARG 23 10.276 -11.486 -4.817
162 HD2 ARG 23 2HD ARG 23 9.045 -11.142 -7.465
163 HD3 ARG 23 1HD ARG 23 9.949 -12.659 -7.299
164 HE ARG 23 HE ARG 23 7.528 -11.962 -5.834
165 HH11 ARG 23 1HH2 ARG 23 10.527 -13.679 -5.787
166 HH12 ARG 23 2HH2 ARG 23 9.987 -14.844 -4.627
167 HH21 ARG 23 1HH1 ARG 23 6.817 -13.478 -4.321
168 HH22 ARG 23 2HH1 ARG 23 7.891 -14.731 -3.797
169 H GLY 24 H GLY 24 11.414 -7.647 -2.620
170 HA2 GLY 24 2HA GLY 24 12.896 -5.836 -2.446
171 HA3 GLY 24 1HA GLY 24 13.524 -6.307 -4.027
172 H SER 25 H SER 25 10.156 -5.456 -3.377
173 HA SER 25 HA SER 25 10.551 -2.858 -4.801
174 HB2 SER 25 2HB SER 25 9.915 -4.811 -6.320
175 HB3 SER 25 1HB SER 25 8.381 -4.867 -5.456
176 HG SER 25 HG SER 25 7.760 -3.216 -6.584
177 H CYS 26 H CYS 26 8.313 -1.645 -4.746
178 HA CYS 26 HA CYS 26 6.885 -2.217 -2.175
179 HB2 CYS 26 2HB CYS 26 8.646 -0.503 -1.868
180 HB3 CYS 26 1HB CYS 26 7.948 0.446 -3.180
181 H GLN 27 H GLN 27 4.973 -2.892 -3.243
182 HA GLN 27 HA GLN 27 3.716 -0.908 -5.109
183 HB2 GLN 27 2HB GLN 27 3.703 -3.901 -4.828
184 HB3 GLN 27 1HB GLN 27 2.354 -3.099 -5.633
185 HG2 GLN 27 2HG GLN 27 4.255 -1.853 -6.957
186 HG3 GLN 27 1HG GLN 27 5.240 -3.228 -6.453
187 HE21 GLN 27 1HE2 GLN 27 5.360 -4.281 -8.519
188 HE22 GLN 27 2HE2 GLN 27 3.997 -4.912 -9.308
189 H CYS 28 H CYS 28 1.478 -0.405 -4.767
190 HA CYS 28 HA CYS 28 0.203 -1.453 -2.283
191 HB2 CYS 28 2HB CYS 28 0.763 1.450 -2.968
192 HB3 CYS 28 1HB CYS 28 -0.266 0.929 -1.634
193 H ARG 29 H ARG 29 -2.144 -0.661 -2.190
194 HA ARG 29 HA ARG 29 -3.248 -0.101 -4.917
195 HB2 ARG 29 2HB ARG 29 -3.568 -2.433 -3.120
196 HB3 ARG 29 1HB ARG 29 -5.064 -1.826 -3.830
197 HG2 ARG 29 2HG ARG 29 -4.529 -2.937 -5.715
198 HG3 ARG 29 1HG ARG 29 -3.194 -1.805 -5.927
199 HD2 ARG 29 2HD ARG 29 -1.640 -3.259 -4.868
200 HD3 ARG 29 1HD ARG 29 -2.931 -4.250 -4.160
201 HE ARG 29 HE ARG 29 -3.157 -4.173 -7.040
202 HH11 ARG 29 1HH2 ARG 29 -1.420 -5.551 -4.391
203 HH12 ARG 29 2HH2 ARG 29 -1.005 -6.996 -5.249
204 HH21 ARG 29 1HH1 ARG 29 -2.620 -6.055 -8.166
205 HH22 ARG 29 2HH1 ARG 29 -1.683 -7.282 -7.382
206 H ARG 30 H ARG 30 -5.606 0.586 -4.742
207 HA ARG 30 HA ARG 30 -6.058 2.121 -2.201
208 HB2 ARG 30 2HB ARG 30 -5.895 2.855 -4.978
209 HB3 ARG 30 1HB ARG 30 -7.525 3.195 -4.394
210 HG2 ARG 30 2HG ARG 30 -6.017 4.100 -2.300
211 HG3 ARG 30 1HG ARG 30 -4.962 4.469 -3.664
212 HD2 ARG 30 2HD ARG 30 -7.823 5.390 -3.249
213 HD3 ARG 30 1HD ARG 30 -6.370 6.395 -3.420
214 HE ARG 30 HE ARG 30 -6.536 4.732 -5.713
215 HH11 ARG 30 1HH2 ARG 30 -8.229 7.307 -4.154
216 HH12 ARG 30 2HH2 ARG 30 -8.865 7.953 -5.628
217 HH21 ARG 30 1HH1 ARG 30 -7.359 5.567 -7.641
218 HH22 ARG 30 2HH1 ARG 30 -8.371 6.972 -7.601
219 H THR 31 H THR 31 -8.726 2.895 -2.979
220 HA THR 31 HA THR 31 -10.128 0.261 -2.682
221 HB THR 31 HB THR 31 -11.831 1.650 -1.493
222 HG1 THR 31 1HG THR 31 -11.512 3.616 -2.461
223 HG21 THR 31 3HG2 THR 31 -10.378 0.751 0.062
224 HG22 THR 31 1HG2 THR 31 -10.084 2.467 0.338
225 HG23 THR 31 2HG2 THR 31 -8.965 1.529 -0.651
226 H SER 32 H SER 32 -11.476 -0.294 -4.351
227 HA SER 32 HA SER 32 -12.040 1.710 -6.467
228 HB2 SER 32 2HB SER 32 -11.162 -0.739 -6.705
229 HB3 SER 32 1HB SER 32 -12.842 -1.198 -6.437
230 HG SER 32 HG SER 32 -11.654 -0.181 -8.645
231 H GLY 33 H GLY 33 -14.062 2.608 -6.721
232 HA2 GLY 33 2HA GLY 33 -16.207 1.697 -4.871
233 HA3 GLY 33 1HA GLY 33 -16.159 3.263 -5.682