Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
608940 | 5jhi RC | 30067 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 CYS 1 1H CYS 1 -15.025 -0.163 1.732
2 H2 CYS 1 2H CYS 1 -15.250 -1.685 1.033
3 H3 CYS 1 3H CYS 1 -16.032 -0.334 0.387
4 HA CYS 1 HA CYS 1 -14.170 -0.998 -0.963
5 HB2 CYS 1 2HB CYS 1 -12.944 1.282 -0.813
6 HB3 CYS 1 1HB CYS 1 -14.667 1.284 -1.176
7 H LYS 2 H LYS 2 -13.025 -2.741 -0.157
8 HA LYS 2 HA LYS 2 -10.518 -2.035 1.237
9 HB2 LYS 2 1HB LYS 2 -12.065 -4.645 1.334
10 HB3 LYS 2 2HB LYS 2 -10.456 -4.419 2.003
11 HG2 LYS 2 1HG LYS 2 -11.325 -2.794 3.596
12 HG3 LYS 2 2HG LYS 2 -12.938 -2.953 2.896
13 HD2 LYS 2 1HD LYS 2 -13.056 -5.271 3.581
14 HD3 LYS 2 2HD LYS 2 -11.388 -5.228 4.151
15 HE2 LYS 2 1HE LYS 2 -13.650 -3.576 5.284
16 HE3 LYS 2 2HE LYS 2 -13.051 -5.081 5.979
17 HZ1 LYS 2 1HZ LYS 2 -11.603 -2.510 5.723
18 HZ2 LYS 2 2HZ LYS 2 -10.832 -3.958 6.117
19 HZ3 LYS 2 3HZ LYS 2 -12.021 -3.326 7.141
20 H GLN 3 H GLN 3 -9.215 -1.755 -0.526
21 HA GLN 3 HA GLN 3 -9.349 -3.787 -2.671
22 HB2 GLN 3 1HB GLN 3 -8.470 -0.903 -2.978
23 HB3 GLN 3 2HB GLN 3 -8.735 -2.072 -4.263
24 HG2 GLN 3 1HG GLN 3 -10.853 -0.885 -2.471
25 HG3 GLN 3 2HG GLN 3 -10.555 -0.466 -4.155
26 HE21 GLN 3 1HE2 GLN 3 -12.279 -3.222 -5.470
27 HE22 GLN 3 2HE2 GLN 3 -11.174 -1.928 -5.776
28 H ARG 4 H ARG 4 -7.159 -3.691 -3.996
29 HA ARG 4 HA ARG 4 -4.866 -3.296 -2.263
30 HB2 ARG 4 1HB ARG 4 -4.094 -5.686 -2.703
31 HB3 ARG 4 2HB ARG 4 -5.371 -5.463 -1.516
32 HG2 ARG 4 1HG ARG 4 -7.040 -6.112 -3.204
33 HG3 ARG 4 2HG ARG 4 -5.741 -6.368 -4.372
34 HD2 ARG 4 1HD ARG 4 -6.590 -8.444 -3.211
35 HD3 ARG 4 2HD ARG 4 -4.850 -8.178 -3.120
36 HE ARG 4 HE ARG 4 -5.073 -7.586 -0.841
37 HH11 ARG 4 1HH1 ARG 4 -8.072 -8.724 -2.246
38 HH12 ARG 4 2HH1 ARG 4 -8.822 -9.024 -0.716
39 HH21 ARG 4 1HH2 ARG 4 -6.047 -7.994 1.178
40 HH22 ARG 4 2HH2 ARG 4 -7.664 -8.621 1.241
41 H ARG 5 H ARG 5 -2.866 -3.387 -3.299
42 HA ARG 5 HA ARG 5 -2.882 -3.517 -6.245
43 HB2 ARG 5 1HB ARG 5 -1.534 -1.413 -4.526
44 HB3 ARG 5 2HB ARG 5 -1.228 -1.627 -6.242
45 HG2 ARG 5 1HG ARG 5 -3.576 -1.060 -6.721
46 HG3 ARG 5 2HG ARG 5 -3.855 -0.814 -4.993
47 HD2 ARG 5 1HD ARG 5 -2.161 0.955 -4.970
48 HD3 ARG 5 2HD ARG 5 -1.860 0.698 -6.687
49 HE ARG 5 HE ARG 5 -4.577 1.270 -6.370
50 HH11 ARG 5 1HH1 ARG 5 -1.476 2.840 -5.981
51 HH12 ARG 5 2HH1 ARG 5 -2.087 4.426 -6.318
52 HH21 ARG 5 1HH2 ARG 5 -5.392 3.385 -6.802
53 HH22 ARG 5 2HH2 ARG 5 -4.302 4.734 -6.771
54 H ARG 6 H ARG 6 -0.739 -3.925 -7.156
55 HA ARG 6 HA ARG 6 1.111 -5.211 -5.249
56 HB2 ARG 6 1HB ARG 6 0.648 -5.801 -8.185
57 HB3 ARG 6 2HB ARG 6 1.970 -6.481 -7.243
58 HG2 ARG 6 1HG ARG 6 0.195 -7.423 -5.684
59 HG3 ARG 6 2HG ARG 6 -0.983 -6.969 -6.918
60 HD2 ARG 6 1HD ARG 6 1.380 -8.801 -7.345
61 HD3 ARG 6 2HD ARG 6 -0.281 -9.329 -7.088
62 HE ARG 6 HE ARG 6 -0.809 -8.102 -9.196
63 HH11 ARG 6 1HH1 ARG 6 2.463 -9.214 -8.602
64 HH12 ARG 6 2HH1 ARG 6 2.829 -9.433 -10.281
65 HH21 ARG 6 1HH2 ARG 6 -0.337 -8.404 -11.398
66 HH22 ARG 6 2HH2 ARG 6 1.229 -8.985 -11.875
67 H TYR 7 H TYR 7 2.820 -4.054 -4.863
68 HA TYR 7 HA TYR 7 3.639 -1.961 -6.770
69 HB2 TYR 7 2HB TYR 7 2.627 -1.069 -4.732
70 HB3 TYR 7 1HB TYR 7 3.713 -2.028 -3.738
71 HD1 TYR 7 1HD TYR 7 5.870 -1.208 -3.159
72 HD2 TYR 7 2HD TYR 7 3.554 0.808 -6.106
73 HE1 TYR 7 1HE TYR 7 7.446 0.678 -3.096
74 HE2 TYR 7 2HE TYR 7 5.129 2.695 -6.059
75 HH TYR 7 HH TYR 7 8.164 2.522 -4.545
76 H ARG 8 H ARG 8 5.838 -1.655 -7.130
77 HA ARG 8 HA ARG 8 7.598 -3.753 -6.047
78 HB2 ARG 8 1HB ARG 8 7.241 -3.930 -8.484
79 HB3 ARG 8 2HB ARG 8 7.837 -2.285 -8.684
80 HG2 ARG 8 1HG ARG 8 10.027 -2.957 -7.843
81 HG3 ARG 8 2HG ARG 8 9.437 -4.600 -7.589
82 HD2 ARG 8 1HD ARG 8 9.024 -4.807 -10.011
83 HD3 ARG 8 2HD ARG 8 9.654 -3.173 -10.245
84 HE ARG 8 HE ARG 8 11.519 -4.823 -8.867
85 HH11 ARG 8 1HH1 ARG 8 10.270 -4.151 -12.079
86 HH12 ARG 8 2HH1 ARG 8 11.719 -4.687 -12.873
87 HH21 ARG 8 1HH2 ARG 8 13.402 -5.513 -9.919
88 HH22 ARG 8 2HH2 ARG 8 13.493 -5.445 -11.652
89 H GLY 9 H GLY 9 9.327 -3.145 -4.917
90 HA2 GLY 9 1HA GLY 9 11.043 -1.063 -5.235
91 HA3 GLY 9 2HA GLY 9 9.726 -0.355 -4.307
92 H SER 10 H SER 10 11.327 -0.033 -2.625
93 HA SER 10 HA SER 10 12.424 -2.334 -1.280
94 HB2 SER 10 1HB SER 10 12.270 0.554 -0.354
95 HB3 SER 10 2HB SER 10 13.305 -0.709 0.318
96 HG SER 10 HG SER 10 13.699 -0.565 -2.326
97 H GLU 11 H GLU 11 11.863 -3.005 0.855
98 HA GLU 11 HA GLU 11 9.226 -3.497 1.389
99 HB2 GLU 11 1HB GLU 11 11.366 -3.154 3.506
100 HB3 GLU 11 2HB GLU 11 9.908 -4.130 3.632
101 HG2 GLU 11 1HG GLU 11 10.738 -5.631 1.906
102 HG3 GLU 11 2HG GLU 11 12.182 -4.636 1.716
103 H GLU 12 H GLU 12 11.216 -0.922 2.809
104 HA GLU 12 HA GLU 12 9.260 0.271 4.412
105 HB2 GLU 12 1HB GLU 12 11.667 0.730 4.602
106 HB3 GLU 12 2HB GLU 12 11.643 1.545 3.045
107 HG2 GLU 12 1HG GLU 12 10.139 3.250 3.971
108 HG3 GLU 12 2HG GLU 12 10.191 2.431 5.533
109 H GLU 13 H GLU 13 10.226 0.946 1.073
110 HA GLU 13 HA GLU 13 8.518 3.122 0.597
111 HB2 GLU 13 1HB GLU 13 9.625 1.051 -1.320
112 HB3 GLU 13 2HB GLU 13 8.810 2.530 -1.821
113 HG2 GLU 13 1HG GLU 13 11.325 2.436 -0.160
114 HG3 GLU 13 2HG GLU 13 11.280 2.670 -1.907
115 H CYS 14 H CYS 14 8.037 -0.349 0.316
116 HA CYS 14 HA CYS 14 5.452 -0.286 -0.812
117 HB2 CYS 14 2HB CYS 14 6.797 -2.382 0.924
118 HB3 CYS 14 1HB CYS 14 5.293 -2.632 0.036
119 H ARG 15 H ARG 15 6.625 -0.325 2.526
120 HA ARG 15 HA ARG 15 4.071 -0.458 3.762
121 HB2 ARG 15 1HB ARG 15 6.665 0.649 4.874
122 HB3 ARG 15 2HB ARG 15 5.246 0.222 5.819
123 HG2 ARG 15 1HG ARG 15 6.966 -1.686 4.234
124 HG3 ARG 15 2HG ARG 15 6.949 -1.501 5.988
125 HD2 ARG 15 1HD ARG 15 4.625 -2.415 4.284
126 HD3 ARG 15 2HD ARG 15 5.663 -3.459 5.255
127 HE ARG 15 HE ARG 15 4.546 -1.446 6.887
128 HH11 ARG 15 1HH1 ARG 15 3.657 -4.390 5.202
129 HH12 ARG 15 2HH1 ARG 15 2.361 -4.773 6.294
130 HH21 ARG 15 1HH2 ARG 15 2.842 -1.947 8.315
131 HH22 ARG 15 2HH2 ARG 15 1.891 -3.376 8.055
132 H LYS 16 H LYS 16 6.105 2.179 2.642
133 HA LYS 16 HA LYS 16 4.646 4.269 3.877
134 HB2 LYS 16 1HB LYS 16 6.897 4.725 3.379
135 HB3 LYS 16 2HB LYS 16 6.779 4.031 1.770
136 HG2 LYS 16 1HG LYS 16 6.995 6.385 1.591
137 HG3 LYS 16 2HG LYS 16 5.379 5.906 1.092
138 HD2 LYS 16 1HD LYS 16 5.295 7.943 2.450
139 HD3 LYS 16 2HD LYS 16 4.490 6.607 3.272
140 HE2 LYS 16 1HE LYS 16 5.856 7.881 4.831
141 HE3 LYS 16 2HE LYS 16 6.495 6.250 4.644
142 HZ1 LYS 16 1HZ LYS 16 8.194 7.093 3.184
143 HZ2 LYS 16 2HZ LYS 16 8.229 7.962 4.634
144 HZ3 LYS 16 3HZ LYS 16 7.546 8.654 3.249
145 H TYR 17 H TYR 17 4.712 2.751 0.708
146 HA TYR 17 HA TYR 17 2.836 4.332 -0.633
147 HB2 TYR 17 2HB TYR 17 4.333 2.585 -1.642
148 HB3 TYR 17 1HB TYR 17 3.317 1.346 -0.920
149 HD1 TYR 17 1HD TYR 17 1.485 0.503 -2.112
150 HD2 TYR 17 2HD TYR 17 3.211 4.208 -3.304
151 HE1 TYR 17 1HE TYR 17 0.097 0.490 -4.140
152 HE2 TYR 17 2HE TYR 17 1.824 4.204 -5.333
153 HH TYR 17 HH TYR 17 0.675 2.530 -6.760
154 H ALA 18 H ALA 18 2.467 1.440 1.379
155 HA ALA 18 HA ALA 18 -0.314 1.128 1.159
156 HB1 ALA 18 1HB ALA 18 -0.149 -0.278 3.136
157 HB2 ALA 18 2HB ALA 18 1.451 0.372 3.494
158 HB3 ALA 18 3HB ALA 18 1.199 -0.599 2.043
159 H GLU 19 H GLU 19 1.578 2.750 3.735
160 HA GLU 19 HA GLU 19 -0.678 3.488 5.258
161 HB2 GLU 19 1HB GLU 19 0.823 4.964 6.503
162 HB3 GLU 19 2HB GLU 19 1.564 3.393 6.240
163 HG2 GLU 19 1HG GLU 19 2.899 4.336 4.415
164 HG3 GLU 19 2HG GLU 19 2.159 5.910 4.689
165 H GLU 20 H GLU 20 1.200 5.282 2.830
166 HA GLU 20 HA GLU 20 -0.160 7.718 2.983
167 HB2 GLU 20 1HB GLU 20 1.317 6.336 0.755
168 HB3 GLU 20 2HB GLU 20 0.512 7.874 0.475
169 HG2 GLU 20 1HG GLU 20 2.617 7.402 2.581
170 HG3 GLU 20 2HG GLU 20 2.925 8.086 0.984
171 H LEU 21 H LEU 21 -0.755 4.940 0.826
172 HA LEU 21 HA LEU 21 -3.004 5.981 -0.465
173 HB2 LEU 21 1HB LEU 21 -1.718 3.379 -0.197
174 HB3 LEU 21 2HB LEU 21 -3.462 3.231 -0.314
175 HG LEU 21 HG LEU 21 -1.663 4.613 -2.312
176 HD11 LEU 21 1HD1 LEU 21 -3.193 2.018 -2.465
177 HD12 LEU 21 2HD1 LEU 21 -1.441 2.203 -2.394
178 HD13 LEU 21 3HD1 LEU 21 -2.331 2.778 -3.803
179 HD21 LEU 21 1HD2 LEU 21 -4.659 4.197 -2.315
180 HD22 LEU 21 2HD2 LEU 21 -3.712 4.804 -3.676
181 HD23 LEU 21 3HD2 LEU 21 -3.809 5.739 -2.182
182 H SER 22 H SER 22 -2.745 4.140 2.532
183 HA SER 22 HA SER 22 -5.527 3.680 2.781
184 HB2 SER 22 1HB SER 22 -3.770 2.264 3.850
185 HB3 SER 22 2HB SER 22 -3.419 3.586 4.962
186 HG SER 22 HG SER 22 -5.872 3.379 5.339
187 H ARG 23 H ARG 23 -3.372 6.208 4.014
188 HA ARG 23 HA ARG 23 -5.466 7.397 5.628
189 HB2 ARG 23 1HB ARG 23 -3.842 9.151 6.132
190 HB3 ARG 23 2HB ARG 23 -3.123 7.561 6.347
191 HG2 ARG 23 1HG ARG 23 -2.029 7.787 4.142
192 HG3 ARG 23 2HG ARG 23 -2.699 9.412 4.002
193 HD2 ARG 23 1HD ARG 23 -0.344 9.379 4.785
194 HD3 ARG 23 2HD ARG 23 -1.450 10.150 5.921
195 HE ARG 23 HE ARG 23 -1.412 7.998 7.171
196 HH11 ARG 23 1HH1 ARG 23 1.264 8.783 5.047
197 HH12 ARG 23 2HH1 ARG 23 2.407 7.852 5.963
198 HH21 ARG 23 1HH2 ARG 23 0.092 6.772 8.350
199 HH22 ARG 23 2HH2 ARG 23 1.747 6.702 7.818
200 H ARG 24 H ARG 24 -4.126 7.802 2.439
201 HA ARG 24 HA ARG 24 -5.166 10.392 1.911
202 HB2 ARG 24 1HB ARG 24 -3.324 9.044 0.654
203 HB3 ARG 24 2HB ARG 24 -4.665 8.326 -0.225
204 HG2 ARG 24 1HG ARG 24 -3.760 10.153 -1.502
205 HG3 ARG 24 2HG ARG 24 -5.370 10.599 -0.928
206 HD2 ARG 24 1HD ARG 24 -3.746 12.439 -0.687
207 HD3 ARG 24 2HD ARG 24 -4.401 11.920 0.864
208 HE ARG 24 HE ARG 24 -1.759 10.998 -0.092
209 HH11 ARG 24 1HH1 ARG 24 -3.791 12.392 2.405
210 HH12 ARG 24 2HH1 ARG 24 -2.508 12.482 3.571
211 HH21 ARG 24 1HH2 ARG 24 -0.073 11.110 1.451
212 HH22 ARG 24 2HH2 ARG 24 -0.391 11.777 3.022
213 H THR 25 H THR 25 -6.271 7.125 1.116
214 HA THR 25 HA THR 25 -8.859 8.155 0.216
215 HB THR 25 HB THR 25 -7.898 5.278 0.256
216 HG1 THR 25 1HG THR 25 -6.480 6.307 -1.080
217 HG21 THR 25 1HG2 THR 25 -9.588 4.981 -1.515
218 HG22 THR 25 2HG2 THR 25 -10.062 6.671 -1.341
219 HG23 THR 25 3HG2 THR 25 -10.318 5.541 -0.010
220 H GLY 26 H GLY 26 -10.683 7.969 1.441
221 HA2 GLY 26 1HA GLY 26 -10.494 7.097 4.175
222 HA3 GLY 26 2HA GLY 26 -11.937 7.688 3.361
223 H CYS 27 H CYS 27 -9.761 4.902 3.046
224 HA CYS 27 HA CYS 27 -11.909 3.006 3.402
225 HB2 CYS 27 2HB CYS 27 -10.511 3.359 0.734
226 HB3 CYS 27 1HB CYS 27 -11.373 1.890 1.179
227 H GLU 28 H GLU 28 -10.689 0.726 2.515
228 HA GLU 28 HA GLU 28 -8.093 0.769 3.924
229 HB2 GLU 28 1HB GLU 28 -9.788 -0.576 5.081
230 HB3 GLU 28 2HB GLU 28 -10.063 -1.512 3.617
231 HG2 GLU 28 1HG GLU 28 -7.878 -2.470 3.728
232 HG3 GLU 28 2HG GLU 28 -7.407 -1.385 5.037
233 H VAL 29 H VAL 29 -6.369 0.304 2.758
234 HA VAL 29 HA VAL 29 -6.702 -1.157 0.225
235 HB VAL 29 HB VAL 29 -4.816 1.164 0.707
236 HG11 VAL 29 1HG1 VAL 29 -4.287 0.956 -1.695
237 HG12 VAL 29 2HG1 VAL 29 -5.291 -0.492 -1.777
238 HG13 VAL 29 3HG1 VAL 29 -3.832 -0.486 -0.787
239 HG21 VAL 29 1HG2 VAL 29 -7.289 1.008 -1.023
240 HG22 VAL 29 2HG2 VAL 29 -6.171 2.370 -0.956
241 HG23 VAL 29 3HG2 VAL 29 -7.117 1.935 0.469
242 H GLU 30 H GLU 30 -5.270 -2.731 -0.152
243 HA GLU 30 HA GLU 30 -3.162 -3.223 1.849
244 HB2 GLU 30 1HB GLU 30 -5.006 -4.893 1.808
245 HB3 GLU 30 2HB GLU 30 -4.672 -5.199 0.110
246 HG2 GLU 30 1HG GLU 30 -2.390 -5.949 0.761
247 HG3 GLU 30 2HG GLU 30 -2.867 -5.781 2.452
248 H VAL 31 H VAL 31 -1.112 -3.769 1.084
249 HA VAL 31 HA VAL 31 -0.732 -3.470 -1.829
250 HB VAL 31 HB VAL 31 1.091 -2.409 0.350
251 HG11 VAL 31 1HG1 VAL 31 1.321 -2.194 -2.659
252 HG12 VAL 31 2HG1 VAL 31 2.359 -3.149 -1.600
253 HG13 VAL 31 3HG1 VAL 31 2.369 -1.388 -1.487
254 HG21 VAL 31 1HG2 VAL 31 -0.937 -1.066 0.129
255 HG22 VAL 31 2HG2 VAL 31 -0.676 -0.931 -1.609
256 HG23 VAL 31 3HG2 VAL 31 0.461 -0.183 -0.489
257 H GLU 32 H GLU 32 0.767 -4.743 -2.791
258 HA GLU 32 HA GLU 32 2.029 -6.841 -1.140
259 HB2 GLU 32 1HB GLU 32 0.351 -7.578 -2.877
260 HB3 GLU 32 2HB GLU 32 1.406 -6.904 -4.111
261 HG2 GLU 32 1HG GLU 32 3.178 -8.468 -3.424
262 HG3 GLU 32 2HG GLU 32 2.083 -9.157 -2.224
263 H CYS 33 H CYS 33 4.270 -7.181 -1.454
264 HA CYS 33 HA CYS 33 5.559 -4.862 -2.750
265 HB2 CYS 33 2HB CYS 33 5.619 -4.928 -0.235
266 HB3 CYS 33 1HB CYS 33 6.574 -6.403 -0.345
267 H GLU 34 H GLU 34 6.563 -5.413 -4.522
268 HA GLU 34 HA GLU 34 8.025 -7.972 -4.650
269 HB2 GLU 34 1HB GLU 34 6.965 -6.299 -6.953
270 HB3 GLU 34 2HB GLU 34 7.782 -7.852 -7.085
271 HG2 GLU 34 1HG GLU 34 5.930 -8.926 -5.888
272 HG3 GLU 34 2HG GLU 34 5.111 -7.369 -5.769
273 H THR 35 H THR 35 10.084 -7.891 -5.789
274 HA THR 35 HA THR 35 11.302 -5.253 -6.087
275 HB THR 35 HB THR 35 12.506 -7.379 -4.282
276 HG1 THR 35 1HG THR 35 11.217 -4.892 -3.737
277 HG21 THR 35 1HG2 THR 35 14.213 -5.691 -3.781
278 HG22 THR 35 2HG2 THR 35 13.462 -4.576 -4.926
279 HG23 THR 35 3HG2 THR 35 14.199 -6.071 -5.505
Start of MODEL 2
1 H1 CYS 1 1H CYS 1 -16.552 -1.200 1.712
2 H2 CYS 1 2H CYS 1 -15.206 -0.623 2.554
3 H3 CYS 1 3H CYS 1 -15.442 -2.286 2.379
4 HA CYS 1 HA CYS 1 -15.154 -2.121 0.017
5 HB2 CYS 1 2HB CYS 1 -14.250 0.091 -0.864
6 HB3 CYS 1 1HB CYS 1 -15.960 0.067 -0.452
7 H LYS 2 H LYS 2 -13.531 -3.537 0.418
8 HA LYS 2 HA LYS 2 -10.957 -2.447 1.342
9 HB2 LYS 2 1HB LYS 2 -12.012 -5.283 1.341
10 HB3 LYS 2 2HB LYS 2 -10.339 -4.872 1.700
11 HG2 LYS 2 1HG LYS 2 -11.129 -3.474 3.590
12 HG3 LYS 2 2HG LYS 2 -12.778 -4.011 3.257
13 HD2 LYS 2 1HD LYS 2 -12.164 -6.310 3.717
14 HD3 LYS 2 2HD LYS 2 -10.472 -5.850 3.920
15 HE2 LYS 2 1HE LYS 2 -11.484 -6.154 6.089
16 HE3 LYS 2 2HE LYS 2 -11.121 -4.447 5.853
17 HZ1 LYS 2 1HZ LYS 2 -13.470 -4.119 5.237
18 HZ2 LYS 2 2HZ LYS 2 -13.289 -4.690 6.819
19 HZ3 LYS 2 3HZ LYS 2 -13.777 -5.743 5.592
20 H GLN 3 H GLN 3 -9.229 -2.454 0.031
21 HA GLN 3 HA GLN 3 -9.344 -3.919 -2.522
22 HB2 GLN 3 1HB GLN 3 -8.644 -0.978 -2.251
23 HB3 GLN 3 2HB GLN 3 -8.505 -1.924 -3.727
24 HG2 GLN 3 1HG GLN 3 -10.913 -2.229 -3.792
25 HG3 GLN 3 2HG GLN 3 -11.084 -1.364 -2.264
26 HE21 GLN 3 1HE2 GLN 3 -10.559 0.645 -5.754
27 HE22 GLN 3 2HE2 GLN 3 -10.397 -1.074 -5.666
28 H ARG 4 H ARG 4 -7.175 -4.019 -3.574
29 HA ARG 4 HA ARG 4 -4.897 -3.386 -1.862
30 HB2 ARG 4 1HB ARG 4 -5.532 -6.193 -2.804
31 HB3 ARG 4 2HB ARG 4 -3.934 -5.698 -2.259
32 HG2 ARG 4 1HG ARG 4 -4.847 -5.141 -0.061
33 HG3 ARG 4 2HG ARG 4 -6.455 -5.620 -0.602
34 HD2 ARG 4 1HD ARG 4 -5.421 -7.386 0.716
35 HD3 ARG 4 2HD ARG 4 -5.658 -7.907 -0.951
36 HE ARG 4 HE ARG 4 -3.306 -7.698 -1.309
37 HH11 ARG 4 1HH1 ARG 4 -4.261 -7.209 2.028
38 HH12 ARG 4 2HH1 ARG 4 -2.719 -7.681 2.669
39 HH21 ARG 4 1HH2 ARG 4 -1.268 -8.309 -0.457
40 HH22 ARG 4 2HH2 ARG 4 -1.024 -8.305 1.259
41 H ARG 5 H ARG 5 -3.211 -2.689 -2.996
42 HA ARG 5 HA ARG 5 -3.140 -3.179 -5.905
43 HB2 ARG 5 1HB ARG 5 -2.105 -0.823 -4.339
44 HB3 ARG 5 2HB ARG 5 -1.849 -1.075 -6.066
45 HG2 ARG 5 1HG ARG 5 -4.309 -1.091 -6.381
46 HG3 ARG 5 2HG ARG 5 -4.494 -0.700 -4.669
47 HD2 ARG 5 1HD ARG 5 -4.657 1.327 -5.847
48 HD3 ARG 5 2HD ARG 5 -3.072 1.304 -5.082
49 HE ARG 5 HE ARG 5 -3.436 0.609 -7.927
50 HH11 ARG 5 1HH1 ARG 5 -1.775 2.390 -5.414
51 HH12 ARG 5 2HH1 ARG 5 -0.672 3.161 -6.506
52 HH21 ARG 5 1HH2 ARG 5 -2.009 1.667 -9.372
53 HH22 ARG 5 2HH2 ARG 5 -0.830 2.776 -8.754
54 H ARG 6 H ARG 6 -0.643 -2.763 -6.638
55 HA ARG 6 HA ARG 6 1.095 -4.134 -4.698
56 HB2 ARG 6 1HB ARG 6 2.077 -5.472 -6.526
57 HB3 ARG 6 2HB ARG 6 0.378 -5.831 -6.259
58 HG2 ARG 6 1HG ARG 6 -0.198 -4.411 -8.201
59 HG3 ARG 6 2HG ARG 6 1.526 -4.151 -8.487
60 HD2 ARG 6 1HD ARG 6 0.611 -5.927 -9.923
61 HD3 ARG 6 2HD ARG 6 1.858 -6.535 -8.831
62 HE ARG 6 HE ARG 6 -0.918 -6.801 -7.964
63 HH11 ARG 6 1HH1 ARG 6 1.922 -8.327 -9.337
64 HH12 ARG 6 2HH1 ARG 6 1.366 -9.938 -9.011
65 HH21 ARG 6 1HH2 ARG 6 -1.668 -8.906 -7.550
66 HH22 ARG 6 2HH2 ARG 6 -0.690 -10.270 -7.998
67 H TYR 7 H TYR 7 3.339 -3.780 -4.977
68 HA TYR 7 HA TYR 7 4.181 -1.545 -6.645
69 HB2 TYR 7 2HB TYR 7 3.307 -0.438 -4.650
70 HB3 TYR 7 1HB TYR 7 4.231 -1.510 -3.608
71 HD1 TYR 7 1HD TYR 7 6.625 -1.166 -3.278
72 HD2 TYR 7 2HD TYR 7 4.383 1.425 -5.805
73 HE1 TYR 7 1HE TYR 7 8.458 0.469 -3.222
74 HE2 TYR 7 2HE TYR 7 6.213 3.063 -5.755
75 HH TYR 7 HH TYR 7 9.319 2.333 -4.461
76 H ARG 8 H ARG 8 6.372 -1.664 -7.121
77 HA ARG 8 HA ARG 8 7.831 -3.900 -5.866
78 HB2 ARG 8 1HB ARG 8 9.074 -4.177 -7.928
79 HB3 ARG 8 2HB ARG 8 7.349 -4.268 -8.250
80 HG2 ARG 8 1HG ARG 8 7.371 -1.992 -9.129
81 HG3 ARG 8 2HG ARG 8 9.089 -1.851 -8.751
82 HD2 ARG 8 1HD ARG 8 7.817 -3.736 -10.742
83 HD3 ARG 8 2HD ARG 8 8.825 -2.336 -11.100
84 HE ARG 8 HE ARG 8 9.904 -4.622 -9.584
85 HH11 ARG 8 1HH1 ARG 8 10.072 -2.448 -12.330
86 HH12 ARG 8 2HH1 ARG 8 11.575 -3.096 -12.906
87 HH21 ARG 8 1HH2 ARG 8 11.862 -5.477 -10.336
88 HH22 ARG 8 2HH2 ARG 8 12.594 -4.835 -11.777
89 H GLY 9 H GLY 9 9.737 -3.526 -4.920
90 HA2 GLY 9 1HA GLY 9 11.726 -1.776 -5.452
91 HA3 GLY 9 2HA GLY 9 10.584 -0.789 -4.544
92 H SER 10 H SER 10 11.612 -0.544 -2.634
93 HA SER 10 HA SER 10 12.690 -2.894 -1.251
94 HB2 SER 10 1HB SER 10 12.812 0.033 -0.451
95 HB3 SER 10 2HB SER 10 13.737 -1.294 0.255
96 HG SER 10 HG SER 10 13.899 -0.418 -2.448
97 H GLU 11 H GLU 11 12.029 -3.415 0.893
98 HA GLU 11 HA GLU 11 9.333 -3.572 1.377
99 HB2 GLU 11 1HB GLU 11 11.606 -3.586 3.377
100 HB3 GLU 11 2HB GLU 11 9.952 -4.016 3.785
101 HG2 GLU 11 1HG GLU 11 11.183 -6.029 3.454
102 HG3 GLU 11 2HG GLU 11 10.068 -5.845 2.104
103 H GLU 12 H GLU 12 11.591 -1.140 2.632
104 HA GLU 12 HA GLU 12 9.882 0.312 4.266
105 HB2 GLU 12 1HB GLU 12 12.319 0.687 4.132
106 HB3 GLU 12 2HB GLU 12 12.133 1.353 2.517
107 HG2 GLU 12 1HG GLU 12 12.392 3.180 4.003
108 HG3 GLU 12 2HG GLU 12 10.702 3.153 3.507
109 H GLU 13 H GLU 13 10.587 0.778 0.814
110 HA GLU 13 HA GLU 13 8.876 2.942 0.339
111 HB2 GLU 13 1HB GLU 13 9.693 0.738 -1.574
112 HB3 GLU 13 2HB GLU 13 9.004 2.289 -2.034
113 HG2 GLU 13 1HG GLU 13 10.965 3.434 -1.121
114 HG3 GLU 13 2HG GLU 13 11.661 1.877 -0.666
115 H CYS 14 H CYS 14 8.334 -0.549 0.129
116 HA CYS 14 HA CYS 14 5.758 -0.521 -0.961
117 HB2 CYS 14 2HB CYS 14 6.995 -2.537 0.936
118 HB3 CYS 14 1HB CYS 14 5.556 -2.812 -0.041
119 H ARG 15 H ARG 15 6.809 -0.563 2.434
120 HA ARG 15 HA ARG 15 4.190 -0.679 3.510
121 HB2 ARG 15 1HB ARG 15 6.877 0.016 4.686
122 HB3 ARG 15 2HB ARG 15 5.404 0.104 5.644
123 HG2 ARG 15 1HG ARG 15 6.459 -2.361 4.258
124 HG3 ARG 15 2HG ARG 15 6.560 -2.014 5.987
125 HD2 ARG 15 1HD ARG 15 4.105 -1.973 6.111
126 HD3 ARG 15 2HD ARG 15 4.014 -2.343 4.390
127 HE ARG 15 HE ARG 15 5.487 -4.385 5.377
128 HH11 ARG 15 1HH1 ARG 15 2.399 -3.007 6.281
129 HH12 ARG 15 2HH1 ARG 15 1.751 -4.509 6.862
130 HH21 ARG 15 1HH2 ARG 15 4.641 -6.366 6.145
131 HH22 ARG 15 2HH2 ARG 15 3.027 -6.426 6.781
132 H LYS 16 H LYS 16 6.408 2.026 2.884
133 HA LYS 16 HA LYS 16 4.750 3.970 4.125
134 HB2 LYS 16 1HB LYS 16 6.921 4.294 2.042
135 HB3 LYS 16 2HB LYS 16 6.139 5.634 2.874
136 HG2 LYS 16 1HG LYS 16 7.859 3.477 4.096
137 HG3 LYS 16 2HG LYS 16 8.241 5.192 3.942
138 HD2 LYS 16 1HD LYS 16 5.995 4.041 5.618
139 HD3 LYS 16 2HD LYS 16 7.553 4.583 6.237
140 HE2 LYS 16 1HE LYS 16 7.081 6.855 5.503
141 HE3 LYS 16 2HE LYS 16 5.554 6.330 4.795
142 HZ1 LYS 16 1HZ LYS 16 6.208 6.106 7.683
143 HZ2 LYS 16 2HZ LYS 16 4.710 5.816 6.955
144 HZ3 LYS 16 3HZ LYS 16 5.335 7.384 7.005
145 H TYR 17 H TYR 17 5.017 2.800 0.795
146 HA TYR 17 HA TYR 17 3.177 4.614 -0.342
147 HB2 TYR 17 2HB TYR 17 4.735 3.063 -1.617
148 HB3 TYR 17 1HB TYR 17 3.621 1.751 -1.243
149 HD1 TYR 17 1HD TYR 17 1.246 1.872 -2.143
150 HD2 TYR 17 2HD TYR 17 4.300 4.567 -3.400
151 HE1 TYR 17 1HE TYR 17 -0.107 2.479 -4.108
152 HE2 TYR 17 2HE TYR 17 2.957 5.175 -5.366
153 HH TYR 17 HH TYR 17 -0.119 4.796 -5.677
154 H ALA 18 H ALA 18 2.806 1.426 1.148
155 HA ALA 18 HA ALA 18 0.053 1.095 0.762
156 HB1 ALA 18 1HB ALA 18 1.560 -0.690 1.538
157 HB2 ALA 18 2HB ALA 18 0.147 -0.516 2.579
158 HB3 ALA 18 3HB ALA 18 1.708 0.126 3.096
159 H GLU 19 H GLU 19 1.831 2.594 3.429
160 HA GLU 19 HA GLU 19 -0.371 3.170 5.071
161 HB2 GLU 19 1HB GLU 19 1.976 3.208 5.824
162 HB3 GLU 19 2HB GLU 19 2.270 4.634 4.838
163 HG2 GLU 19 1HG GLU 19 0.745 5.933 6.184
164 HG3 GLU 19 2HG GLU 19 0.298 4.504 7.116
165 H GLU 20 H GLU 20 1.368 5.236 2.749
166 HA GLU 20 HA GLU 20 -0.216 7.519 3.051
167 HB2 GLU 20 1HB GLU 20 1.404 6.523 0.702
168 HB3 GLU 20 2HB GLU 20 0.626 8.103 0.732
169 HG2 GLU 20 1HG GLU 20 2.701 7.143 2.702
170 HG3 GLU 20 2HG GLU 20 3.007 8.206 1.330
171 H LEU 21 H LEU 21 -0.536 4.788 0.818
172 HA LEU 21 HA LEU 21 -2.772 5.783 -0.593
173 HB2 LEU 21 1HB LEU 21 -1.306 3.933 -1.373
174 HB3 LEU 21 2HB LEU 21 -1.972 2.903 -0.120
175 HG LEU 21 HG LEU 21 -4.210 3.098 -1.174
176 HD11 LEU 21 1HD1 LEU 21 -3.933 5.270 -2.252
177 HD12 LEU 21 2HD1 LEU 21 -4.412 4.042 -3.423
178 HD13 LEU 21 3HD1 LEU 21 -2.735 4.585 -3.351
179 HD21 LEU 21 1HD2 LEU 21 -2.759 1.206 -1.709
180 HD22 LEU 21 2HD2 LEU 21 -2.033 2.125 -3.029
181 HD23 LEU 21 3HD2 LEU 21 -3.736 1.671 -3.100
182 H SER 22 H SER 22 -2.434 3.849 2.321
183 HA SER 22 HA SER 22 -5.132 3.125 2.661
184 HB2 SER 22 1HB SER 22 -3.291 2.008 3.850
185 HB3 SER 22 2HB SER 22 -2.943 3.492 4.732
186 HG SER 22 HG SER 22 -4.203 2.395 6.098
187 H ARG 23 H ARG 23 -3.246 5.866 3.914
188 HA ARG 23 HA ARG 23 -5.470 6.964 5.374
189 HB2 ARG 23 1HB ARG 23 -3.952 8.843 5.852
190 HB3 ARG 23 2HB ARG 23 -3.181 7.294 6.165
191 HG2 ARG 23 1HG ARG 23 -2.112 7.480 3.896
192 HG3 ARG 23 2HG ARG 23 -2.725 9.131 3.823
193 HD2 ARG 23 1HD ARG 23 -0.868 8.033 5.937
194 HD3 ARG 23 2HD ARG 23 -0.385 9.035 4.570
195 HE ARG 23 HE ARG 23 -2.379 10.133 6.399
196 HH11 ARG 23 1HH1 ARG 23 0.949 10.079 5.292
197 HH12 ARG 23 2HH1 ARG 23 1.363 11.567 6.087
198 HH21 ARG 23 1HH2 ARG 23 -1.840 12.089 7.433
199 HH22 ARG 23 2HH2 ARG 23 -0.225 12.714 7.304
200 H ARG 24 H ARG 24 -4.194 7.289 2.170
201 HA ARG 24 HA ARG 24 -5.440 9.802 1.572
202 HB2 ARG 24 1HB ARG 24 -3.454 9.092 0.356
203 HB3 ARG 24 2HB ARG 24 -4.291 7.661 -0.232
204 HG2 ARG 24 1HG ARG 24 -5.863 9.134 -1.458
205 HG3 ARG 24 2HG ARG 24 -4.915 10.528 -0.935
206 HD2 ARG 24 1HD ARG 24 -2.958 9.654 -2.107
207 HD3 ARG 24 2HD ARG 24 -3.868 8.220 -2.586
208 HE ARG 24 HE ARG 24 -5.034 10.729 -3.415
209 HH11 ARG 24 1HH1 ARG 24 -2.845 8.135 -4.292
210 HH12 ARG 24 2HH1 ARG 24 -2.965 8.441 -5.992
211 HH21 ARG 24 1HH2 ARG 24 -5.196 11.124 -5.643
212 HH22 ARG 24 2HH2 ARG 24 -4.296 10.149 -6.765
213 H THR 25 H THR 25 -6.213 6.409 0.847
214 HA THR 25 HA THR 25 -8.502 7.104 -0.747
215 HB THR 25 HB THR 25 -7.725 4.380 0.326
216 HG1 THR 25 1HG THR 25 -6.003 4.957 -0.871
217 HG21 THR 25 1HG2 THR 25 -10.006 4.478 -0.568
218 HG22 THR 25 2HG2 THR 25 -8.961 3.540 -1.636
219 HG23 THR 25 3HG2 THR 25 -9.403 5.195 -2.061
220 H GLY 26 H GLY 26 -10.613 7.162 -0.163
221 HA2 GLY 26 1HA GLY 26 -11.339 7.032 2.629
222 HA3 GLY 26 2HA GLY 26 -12.412 7.385 1.281
223 H CYS 27 H CYS 27 -10.470 4.661 2.468
224 HA CYS 27 HA CYS 27 -12.654 2.869 2.757
225 HB2 CYS 27 2HB CYS 27 -11.046 2.762 0.210
226 HB3 CYS 27 1HB CYS 27 -11.686 1.277 0.902
227 H GLU 28 H GLU 28 -11.369 0.441 2.472
228 HA GLU 28 HA GLU 28 -8.929 0.717 4.111
229 HB2 GLU 28 1HB GLU 28 -10.741 -0.475 5.275
230 HB3 GLU 28 2HB GLU 28 -10.893 -1.591 3.927
231 HG2 GLU 28 1HG GLU 28 -9.696 -2.608 5.784
232 HG3 GLU 28 2HG GLU 28 -8.667 -2.465 4.360
233 H VAL 29 H VAL 29 -7.316 0.713 2.657
234 HA VAL 29 HA VAL 29 -7.328 -1.354 0.555
235 HB VAL 29 HB VAL 29 -7.816 0.816 -0.461
236 HG11 VAL 29 1HG1 VAL 29 -6.210 2.658 -0.396
237 HG12 VAL 29 2HG1 VAL 29 -5.190 1.743 0.715
238 HG13 VAL 29 3HG1 VAL 29 -6.798 2.266 1.219
239 HG21 VAL 29 1HG2 VAL 29 -6.503 -0.781 -1.759
240 HG22 VAL 29 2HG2 VAL 29 -5.008 -0.139 -1.076
241 HG23 VAL 29 3HG2 VAL 29 -6.002 0.870 -2.127
242 H GLU 30 H GLU 30 -5.484 -2.452 0.252
243 HA GLU 30 HA GLU 30 -3.136 -1.694 1.857
244 HB2 GLU 30 1HB GLU 30 -4.193 -4.439 1.157
245 HB3 GLU 30 2HB GLU 30 -2.574 -4.169 1.795
246 HG2 GLU 30 1HG GLU 30 -3.407 -3.358 3.839
247 HG3 GLU 30 2HG GLU 30 -5.027 -3.220 3.189
248 H VAL 31 H VAL 31 -1.250 -3.080 0.989
249 HA VAL 31 HA VAL 31 -1.082 -2.928 -1.940
250 HB VAL 31 HB VAL 31 0.872 -1.537 -0.080
251 HG11 VAL 31 1HG1 VAL 31 1.014 -1.888 -3.079
252 HG12 VAL 31 2HG1 VAL 31 2.097 -2.608 -1.887
253 HG13 VAL 31 3HG1 VAL 31 2.080 -0.860 -2.119
254 HG21 VAL 31 1HG2 VAL 31 -0.945 -0.421 -2.225
255 HG22 VAL 31 2HG2 VAL 31 0.224 0.507 -1.284
256 HG23 VAL 31 3HG2 VAL 31 -1.158 -0.241 -0.483
257 H GLU 32 H GLU 32 0.634 -4.165 -2.823
258 HA GLU 32 HA GLU 32 1.685 -6.250 -1.018
259 HB2 GLU 32 1HB GLU 32 0.039 -6.762 -3.026
260 HB3 GLU 32 2HB GLU 32 1.478 -6.552 -4.013
261 HG2 GLU 32 1HG GLU 32 1.284 -8.863 -3.616
262 HG3 GLU 32 2HG GLU 32 2.585 -8.300 -2.565
263 H CYS 33 H CYS 33 3.899 -6.907 -1.411
264 HA CYS 33 HA CYS 33 5.469 -4.721 -2.626
265 HB2 CYS 33 2HB CYS 33 5.610 -4.897 -0.141
266 HB3 CYS 33 1HB CYS 33 6.270 -6.518 -0.322
267 H GLU 34 H GLU 34 6.738 -5.213 -4.240
268 HA GLU 34 HA GLU 34 7.698 -7.975 -4.612
269 HB2 GLU 34 1HB GLU 34 6.756 -6.105 -6.811
270 HB3 GLU 34 2HB GLU 34 7.388 -7.730 -7.038
271 HG2 GLU 34 1HG GLU 34 5.459 -8.657 -5.866
272 HG3 GLU 34 2HG GLU 34 4.839 -7.031 -5.586
273 H THR 35 H THR 35 9.492 -7.790 -6.494
274 HA THR 35 HA THR 35 10.963 -5.310 -6.394
275 HB THR 35 HB THR 35 11.838 -6.243 -4.380
276 HG1 THR 35 1HG THR 35 13.792 -5.765 -4.956
277 HG21 THR 35 1HG2 THR 35 11.170 -8.568 -4.645
278 HG22 THR 35 2HG2 THR 35 12.885 -8.464 -4.246
279 HG23 THR 35 3HG2 THR 35 12.385 -8.793 -5.904
Start of MODEL 3
1 H1 CYS 1 1H CYS 1 -14.807 -2.147 2.431
2 H2 CYS 1 2H CYS 1 -15.829 -0.812 2.274
3 H3 CYS 1 3H CYS 1 -14.413 -0.688 3.187
4 HA CYS 1 HA CYS 1 -14.562 -1.141 0.268
5 HB2 CYS 1 2HB CYS 1 -15.171 1.149 0.894
6 HB3 CYS 1 1HB CYS 1 -13.724 1.285 1.884
7 H LYS 2 H LYS 2 -12.902 -2.368 -0.358
8 HA LYS 2 HA LYS 2 -10.298 -2.085 1.015
9 HB2 LYS 2 1HB LYS 2 -11.154 -4.267 1.561
10 HB3 LYS 2 2HB LYS 2 -11.633 -4.561 -0.105
11 HG2 LYS 2 1HG LYS 2 -9.723 -5.819 0.029
12 HG3 LYS 2 2HG LYS 2 -9.090 -4.306 -0.604
13 HD2 LYS 2 1HD LYS 2 -7.595 -5.020 1.097
14 HD3 LYS 2 2HD LYS 2 -8.516 -3.671 1.769
15 HE2 LYS 2 1HE LYS 2 -9.876 -5.138 3.067
16 HE3 LYS 2 2HE LYS 2 -9.269 -6.558 2.213
17 HZ1 LYS 2 1HZ LYS 2 -7.578 -4.802 3.900
18 HZ2 LYS 2 2HZ LYS 2 -7.144 -6.289 3.219
19 HZ3 LYS 2 3HZ LYS 2 -8.301 -6.226 4.451
20 H GLN 3 H GLN 3 -8.558 -1.695 -0.269
21 HA GLN 3 HA GLN 3 -8.888 -1.995 -3.196
22 HB2 GLN 3 1HB GLN 3 -7.178 0.076 -1.794
23 HB3 GLN 3 2HB GLN 3 -7.464 -0.061 -3.522
24 HG2 GLN 3 1HG GLN 3 -9.793 0.547 -3.214
25 HG3 GLN 3 2HG GLN 3 -9.567 0.607 -1.464
26 HE21 GLN 3 1HE2 GLN 3 -8.001 3.736 -1.438
27 HE22 GLN 3 2HE2 GLN 3 -8.293 2.268 -0.579
28 H ARG 4 H ARG 4 -7.494 -3.429 -4.024
29 HA ARG 4 HA ARG 4 -5.054 -4.043 -2.482
30 HB2 ARG 4 1HB ARG 4 -6.672 -5.848 -4.296
31 HB3 ARG 4 2HB ARG 4 -5.108 -6.277 -3.612
32 HG2 ARG 4 1HG ARG 4 -6.142 -5.909 -1.335
33 HG3 ARG 4 2HG ARG 4 -7.701 -5.816 -2.157
34 HD2 ARG 4 1HD ARG 4 -7.314 -8.067 -1.322
35 HD3 ARG 4 2HD ARG 4 -7.331 -8.063 -3.087
36 HE ARG 4 HE ARG 4 -4.693 -7.778 -2.023
37 HH11 ARG 4 1HH1 ARG 4 -7.180 -10.144 -2.705
38 HH12 ARG 4 2HH1 ARG 4 -6.051 -11.446 -2.929
39 HH21 ARG 4 1HH2 ARG 4 -3.206 -9.493 -2.307
40 HH22 ARG 4 2HH2 ARG 4 -3.798 -11.077 -2.692
41 H ARG 5 H ARG 5 -3.175 -3.641 -3.406
42 HA ARG 5 HA ARG 5 -3.011 -3.511 -6.344
43 HB2 ARG 5 1HB ARG 5 -1.987 -1.477 -4.364
44 HB3 ARG 5 2HB ARG 5 -1.260 -1.647 -5.954
45 HG2 ARG 5 1HG ARG 5 -3.537 -1.221 -6.935
46 HG3 ARG 5 2HG ARG 5 -4.085 -0.827 -5.304
47 HD2 ARG 5 1HD ARG 5 -2.554 1.002 -5.149
48 HD3 ARG 5 2HD ARG 5 -1.737 0.519 -6.636
49 HE ARG 5 HE ARG 5 -4.543 1.169 -6.935
50 HH11 ARG 5 1HH1 ARG 5 -1.253 2.406 -6.987
51 HH12 ARG 5 2HH1 ARG 5 -1.657 3.753 -8.007
52 HH21 ARG 5 1HH2 ARG 5 -5.047 2.947 -8.262
53 HH22 ARG 5 2HH2 ARG 5 -3.795 4.061 -8.724
54 H ARG 6 H ARG 6 -0.996 -4.040 -7.221
55 HA ARG 6 HA ARG 6 0.916 -5.282 -5.352
56 HB2 ARG 6 1HB ARG 6 1.683 -6.595 -7.373
57 HB3 ARG 6 2HB ARG 6 0.078 -6.995 -6.778
58 HG2 ARG 6 1HG ARG 6 -0.889 -5.557 -8.560
59 HG3 ARG 6 2HG ARG 6 0.744 -5.313 -9.192
60 HD2 ARG 6 1HD ARG 6 0.973 -7.707 -9.581
61 HD3 ARG 6 2HD ARG 6 -0.626 -7.989 -8.887
62 HE ARG 6 HE ARG 6 -0.463 -6.204 -11.187
63 HH11 ARG 6 1HH1 ARG 6 -1.226 -9.393 -9.959
64 HH12 ARG 6 2HH1 ARG 6 -2.183 -9.833 -11.336
65 HH21 ARG 6 1HH2 ARG 6 -1.725 -6.762 -12.981
66 HH22 ARG 6 2HH2 ARG 6 -2.478 -8.326 -13.062
67 H TYR 7 H TYR 7 2.904 -4.458 -5.283
68 HA TYR 7 HA TYR 7 3.574 -2.255 -7.124
69 HB2 TYR 7 2HB TYR 7 2.451 -1.491 -4.986
70 HB3 TYR 7 1HB TYR 7 3.804 -2.171 -4.094
71 HD1 TYR 7 1HD TYR 7 5.900 -0.991 -3.947
72 HD2 TYR 7 2HD TYR 7 2.771 0.489 -6.427
73 HE1 TYR 7 1HE TYR 7 7.085 1.153 -4.158
74 HE2 TYR 7 2HE TYR 7 3.952 2.633 -6.649
75 HH TYR 7 HH TYR 7 7.192 3.060 -5.688
76 H ARG 8 H ARG 8 5.872 -1.815 -7.264
77 HA ARG 8 HA ARG 8 7.556 -3.922 -6.053
78 HB2 ARG 8 1HB ARG 8 9.167 -3.587 -7.858
79 HB3 ARG 8 2HB ARG 8 7.592 -4.009 -8.513
80 HG2 ARG 8 1HG ARG 8 7.328 -2.011 -9.551
81 HG3 ARG 8 2HG ARG 8 8.175 -1.114 -8.289
82 HD2 ARG 8 1HD ARG 8 9.498 -2.891 -10.348
83 HD3 ARG 8 2HD ARG 8 9.403 -1.130 -10.433
84 HE ARG 8 HE ARG 8 10.614 -1.285 -8.152
85 HH11 ARG 8 1HH1 ARG 8 11.172 -3.397 -10.894
86 HH12 ARG 8 2HH1 ARG 8 12.805 -3.762 -10.439
87 HH21 ARG 8 1HH2 ARG 8 12.764 -1.763 -7.564
88 HH22 ARG 8 2HH2 ARG 8 13.705 -2.850 -8.540
89 H GLY 9 H GLY 9 9.087 -3.307 -4.642
90 HA2 GLY 9 1HA GLY 9 10.628 -1.026 -4.647
91 HA3 GLY 9 2HA GLY 9 9.158 -0.558 -3.804
92 H SER 10 H SER 10 11.517 -0.397 -2.527
93 HA SER 10 HA SER 10 12.305 -2.635 -1.027
94 HB2 SER 10 1HB SER 10 12.413 0.271 -0.158
95 HB3 SER 10 2HB SER 10 13.466 -1.041 0.374
96 HG SER 10 HG SER 10 14.150 -1.201 -1.863
97 H GLU 11 H GLU 11 11.926 -3.029 1.264
98 HA GLU 11 HA GLU 11 9.306 -3.359 2.016
99 HB2 GLU 11 1HB GLU 11 11.640 -2.869 3.892
100 HB3 GLU 11 2HB GLU 11 10.132 -3.680 4.303
101 HG2 GLU 11 1HG GLU 11 10.652 -5.499 2.796
102 HG3 GLU 11 2HG GLU 11 12.109 -4.670 2.252
103 H GLU 12 H GLU 12 11.455 -0.661 2.877
104 HA GLU 12 HA GLU 12 9.754 0.836 4.437
105 HB2 GLU 12 1HB GLU 12 11.975 1.620 2.544
106 HB3 GLU 12 2HB GLU 12 11.242 2.695 3.701
107 HG2 GLU 12 1HG GLU 12 11.995 1.321 5.544
108 HG3 GLU 12 2HG GLU 12 12.671 0.156 4.403
109 H GLU 13 H GLU 13 10.343 1.005 0.927
110 HA GLU 13 HA GLU 13 8.604 3.097 0.317
111 HB2 GLU 13 1HB GLU 13 9.249 0.698 -1.422
112 HB3 GLU 13 2HB GLU 13 8.633 2.247 -1.982
113 HG2 GLU 13 1HG GLU 13 11.317 1.748 -0.705
114 HG3 GLU 13 2HG GLU 13 11.013 2.050 -2.413
115 H CYS 14 H CYS 14 8.045 -0.358 0.616
116 HA CYS 14 HA CYS 14 5.366 -0.423 -0.256
117 HB2 CYS 14 2HB CYS 14 6.889 -2.402 -0.007
118 HB3 CYS 14 1HB CYS 14 6.711 -2.273 1.735
119 H ARG 15 H ARG 15 6.823 0.006 2.963
120 HA ARG 15 HA ARG 15 4.452 0.121 4.477
121 HB2 ARG 15 1HB ARG 15 7.030 1.645 4.968
122 HB3 ARG 15 2HB ARG 15 5.767 1.353 6.154
123 HG2 ARG 15 1HG ARG 15 7.512 -0.739 4.862
124 HG3 ARG 15 2HG ARG 15 7.660 -0.119 6.507
125 HD2 ARG 15 1HD ARG 15 5.328 -0.960 6.928
126 HD3 ARG 15 2HD ARG 15 5.404 -1.752 5.350
127 HE ARG 15 HE ARG 15 7.465 -2.322 7.360
128 HH11 ARG 15 1HH1 ARG 15 4.787 -3.448 5.390
129 HH12 ARG 15 2HH1 ARG 15 5.061 -5.118 5.774
130 HH21 ARG 15 1HH2 ARG 15 7.837 -4.496 7.828
131 HH22 ARG 15 2HH2 ARG 15 6.815 -5.721 7.146
132 H LYS 16 H LYS 16 6.398 2.707 3.050
133 HA LYS 16 HA LYS 16 4.868 4.895 3.857
134 HB2 LYS 16 1HB LYS 16 6.518 4.633 1.327
135 HB3 LYS 16 2HB LYS 16 6.047 6.135 2.110
136 HG2 LYS 16 1HG LYS 16 7.457 5.684 3.992
137 HG3 LYS 16 2HG LYS 16 7.796 4.052 3.415
138 HD2 LYS 16 1HD LYS 16 9.685 5.467 2.918
139 HD3 LYS 16 2HD LYS 16 8.882 5.030 1.409
140 HE2 LYS 16 1HE LYS 16 9.438 7.348 1.301
141 HE3 LYS 16 2HE LYS 16 7.691 7.229 1.499
142 HZ1 LYS 16 1HZ LYS 16 7.997 7.660 3.877
143 HZ2 LYS 16 2HZ LYS 16 8.584 8.930 2.930
144 HZ3 LYS 16 3HZ LYS 16 9.663 7.835 3.636
145 H TYR 17 H TYR 17 4.777 3.029 0.837
146 HA TYR 17 HA TYR 17 2.785 4.557 -0.435
147 HB2 TYR 17 2HB TYR 17 4.257 2.976 -1.636
148 HB3 TYR 17 1HB TYR 17 3.461 1.627 -0.835
149 HD1 TYR 17 1HD TYR 17 1.312 0.830 -1.581
150 HD2 TYR 17 2HD TYR 17 3.037 4.314 -3.327
151 HE1 TYR 17 1HE TYR 17 -0.378 0.768 -3.367
152 HE2 TYR 17 2HE TYR 17 1.352 4.258 -5.113
153 HH TYR 17 HH TYR 17 -1.437 2.544 -4.944
154 H ALA 18 H ALA 18 2.598 1.612 1.542
155 HA ALA 18 HA ALA 18 -0.151 1.141 1.291
156 HB1 ALA 18 1HB ALA 18 0.055 -0.208 3.309
157 HB2 ALA 18 2HB ALA 18 1.608 0.542 3.676
158 HB3 ALA 18 3HB ALA 18 1.439 -0.478 2.247
159 H GLU 19 H GLU 19 1.609 2.954 3.822
160 HA GLU 19 HA GLU 19 -0.675 3.713 5.282
161 HB2 GLU 19 1HB GLU 19 1.589 3.857 6.228
162 HB3 GLU 19 2HB GLU 19 1.991 5.139 5.091
163 HG2 GLU 19 1HG GLU 19 0.252 6.561 6.093
164 HG3 GLU 19 2HG GLU 19 -0.114 5.283 7.247
165 H GLU 20 H GLU 20 1.216 5.501 2.855
166 HA GLU 20 HA GLU 20 -0.160 7.876 2.816
167 HB2 GLU 20 1HB GLU 20 1.753 6.548 1.162
168 HB3 GLU 20 2HB GLU 20 0.509 7.200 0.106
169 HG2 GLU 20 1HG GLU 20 2.023 8.784 2.172
170 HG3 GLU 20 2HG GLU 20 2.406 8.724 0.454
171 H LEU 21 H LEU 21 -0.865 4.956 0.909
172 HA LEU 21 HA LEU 21 -3.089 6.139 -0.428
173 HB2 LEU 21 1HB LEU 21 -1.717 4.251 -1.317
174 HB3 LEU 21 2HB LEU 21 -2.432 3.206 -0.104
175 HG LEU 21 HG LEU 21 -4.644 3.492 -1.119
176 HD11 LEU 21 1HD1 LEU 21 -4.927 4.696 -3.224
177 HD12 LEU 21 2HD1 LEU 21 -3.240 5.210 -3.170
178 HD13 LEU 21 3HD1 LEU 21 -4.375 5.781 -1.948
179 HD21 LEU 21 1HD2 LEU 21 -2.542 2.759 -3.165
180 HD22 LEU 21 2HD2 LEU 21 -4.241 2.286 -3.198
181 HD23 LEU 21 3HD2 LEU 21 -3.184 1.687 -1.920
182 H SER 22 H SER 22 -2.717 4.131 2.454
183 HA SER 22 HA SER 22 -5.464 3.527 2.804
184 HB2 SER 22 1HB SER 22 -3.598 2.263 3.892
185 HB3 SER 22 2HB SER 22 -3.309 3.652 4.938
186 HG SER 22 HG SER 22 -5.852 3.158 5.182
187 H ARG 23 H ARG 23 -3.422 6.189 3.935
188 HA ARG 23 HA ARG 23 -5.552 7.351 5.510
189 HB2 ARG 23 1HB ARG 23 -3.989 9.208 5.911
190 HB3 ARG 23 2HB ARG 23 -3.248 7.653 6.257
191 HG2 ARG 23 1HG ARG 23 -1.610 8.008 4.786
192 HG3 ARG 23 2HG ARG 23 -2.753 8.432 3.516
193 HD2 ARG 23 1HD ARG 23 -1.724 10.298 5.657
194 HD3 ARG 23 2HD ARG 23 -1.187 10.257 3.976
195 HE ARG 23 HE ARG 23 -3.936 10.964 4.814
196 HH11 ARG 23 1HH1 ARG 23 -1.207 11.328 2.646
197 HH12 ARG 23 2HH1 ARG 23 -1.922 12.643 1.765
198 HH21 ARG 23 1HH2 ARG 23 -4.896 12.661 3.636
199 HH22 ARG 23 2HH2 ARG 23 -4.033 13.389 2.315
200 H ARG 24 H ARG 24 -4.160 7.747 2.328
201 HA ARG 24 HA ARG 24 -5.242 10.269 1.682
202 HB2 ARG 24 1HB ARG 24 -3.413 9.183 0.424
203 HB3 ARG 24 2HB ARG 24 -4.538 7.963 -0.153
204 HG2 ARG 24 1HG ARG 24 -5.839 9.798 -1.255
205 HG3 ARG 24 2HG ARG 24 -4.542 10.905 -0.802
206 HD2 ARG 24 1HD ARG 24 -4.286 8.465 -2.563
207 HD3 ARG 24 2HD ARG 24 -4.265 10.145 -3.095
208 HE ARG 24 HE ARG 24 -2.226 9.735 -1.184
209 HH11 ARG 24 1HH1 ARG 24 -3.037 8.961 -4.504
210 HH12 ARG 24 2HH1 ARG 24 -1.381 8.823 -5.011
211 HH21 ARG 24 1HH2 ARG 24 -0.044 9.551 -1.848
212 HH22 ARG 24 2HH2 ARG 24 0.315 9.173 -3.506
213 H THR 25 H THR 25 -6.388 6.977 1.026
214 HA THR 25 HA THR 25 -8.997 8.069 0.197
215 HB THR 25 HB THR 25 -9.398 5.791 -0.758
216 HG1 THR 25 1HG THR 25 -7.152 5.241 0.649
217 HG21 THR 25 1HG2 THR 25 -6.871 7.137 -1.747
218 HG22 THR 25 2HG2 THR 25 -8.516 7.597 -2.182
219 HG23 THR 25 3HG2 THR 25 -7.883 6.026 -2.672
220 H GLY 26 H GLY 26 -10.765 7.726 1.423
221 HA2 GLY 26 1HA GLY 26 -10.535 6.578 4.030
222 HA3 GLY 26 2HA GLY 26 -12.010 7.163 3.273
223 H CYS 27 H CYS 27 -9.736 4.457 3.211
224 HA CYS 27 HA CYS 27 -11.893 2.530 3.170
225 HB2 CYS 27 2HB CYS 27 -9.984 2.822 0.832
226 HB3 CYS 27 1HB CYS 27 -10.920 1.367 1.128
227 H GLU 28 H GLU 28 -10.482 0.288 2.516
228 HA GLU 28 HA GLU 28 -8.211 0.251 4.381
229 HB2 GLU 28 1HB GLU 28 -10.115 -1.178 5.083
230 HB3 GLU 28 2HB GLU 28 -10.064 -2.005 3.531
231 HG2 GLU 28 1HG GLU 28 -9.015 -3.326 5.288
232 HG3 GLU 28 2HG GLU 28 -7.856 -2.878 4.037
233 H VAL 29 H VAL 29 -6.278 -0.229 3.489
234 HA VAL 29 HA VAL 29 -6.305 -0.970 0.631
235 HB VAL 29 HB VAL 29 -4.376 0.814 2.113
236 HG11 VAL 29 1HG1 VAL 29 -4.304 -0.108 -0.761
237 HG12 VAL 29 2HG1 VAL 29 -3.135 -0.512 0.496
238 HG13 VAL 29 3HG1 VAL 29 -3.275 1.150 -0.074
239 HG21 VAL 29 1HG2 VAL 29 -6.492 1.888 1.567
240 HG22 VAL 29 2HG2 VAL 29 -6.320 1.396 -0.117
241 HG23 VAL 29 3HG2 VAL 29 -5.186 2.550 0.584
242 H GLU 30 H GLU 30 -4.890 -2.447 -0.106
243 HA GLU 30 HA GLU 30 -3.216 -3.881 1.828
244 HB2 GLU 30 1HB GLU 30 -5.540 -4.901 1.492
245 HB3 GLU 30 2HB GLU 30 -5.041 -5.257 -0.154
246 HG2 GLU 30 1HG GLU 30 -3.369 -6.766 0.584
247 HG3 GLU 30 2HG GLU 30 -3.540 -6.239 2.260
248 H VAL 31 H VAL 31 -1.232 -3.920 1.038
249 HA VAL 31 HA VAL 31 -0.849 -3.665 -1.872
250 HB VAL 31 HB VAL 31 0.978 -2.694 0.344
251 HG11 VAL 31 1HG1 VAL 31 2.241 -1.586 -1.441
252 HG12 VAL 31 2HG1 VAL 31 1.165 -2.295 -2.647
253 HG13 VAL 31 3HG1 VAL 31 2.207 -3.334 -1.674
254 HG21 VAL 31 1HG2 VAL 31 -0.809 -1.104 -1.507
255 HG22 VAL 31 2HG2 VAL 31 0.320 -0.433 -0.330
256 HG23 VAL 31 3HG2 VAL 31 -1.077 -1.364 0.217
257 H GLU 32 H GLU 32 0.322 -5.139 -2.862
258 HA GLU 32 HA GLU 32 1.804 -7.135 -1.270
259 HB2 GLU 32 1HB GLU 32 -0.260 -7.834 -2.655
260 HB3 GLU 32 2HB GLU 32 0.723 -7.510 -4.076
261 HG2 GLU 32 1HG GLU 32 2.309 -9.210 -3.408
262 HG3 GLU 32 2HG GLU 32 1.420 -9.486 -1.909
263 H CYS 33 H CYS 33 3.993 -6.947 -1.518
264 HA CYS 33 HA CYS 33 4.867 -5.130 -3.666
265 HB2 CYS 33 2HB CYS 33 5.870 -5.379 -0.824
266 HB3 CYS 33 1HB CYS 33 6.601 -4.346 -2.052
267 H GLU 34 H GLU 34 6.559 -5.604 -4.873
268 HA GLU 34 HA GLU 34 8.132 -8.041 -4.353
269 HB2 GLU 34 1HB GLU 34 7.025 -7.210 -7.057
270 HB3 GLU 34 2HB GLU 34 7.944 -8.666 -6.702
271 HG2 GLU 34 1HG GLU 34 6.128 -9.564 -5.409
272 HG3 GLU 34 2HG GLU 34 5.224 -8.056 -5.561
273 H THR 35 H THR 35 9.989 -8.048 -6.125
274 HA THR 35 HA THR 35 10.954 -5.301 -6.550
275 HB THR 35 HB THR 35 12.489 -6.343 -5.042
276 HG1 THR 35 1HG THR 35 13.726 -6.639 -7.583
277 HG21 THR 35 1HG2 THR 35 11.884 -8.695 -5.397
278 HG22 THR 35 2HG2 THR 35 13.632 -8.465 -5.494
279 HG23 THR 35 3HG2 THR 35 12.683 -8.669 -6.968
Start of MODEL 4
1 H1 CYS 1 1H CYS 1 -15.002 -0.980 1.305
2 H2 CYS 1 2H CYS 1 -15.705 0.533 1.033
3 H3 CYS 1 3H CYS 1 -14.525 0.347 2.231
4 HA CYS 1 HA CYS 1 -14.083 -0.029 -0.665
5 HB2 CYS 1 2HB CYS 1 -14.517 2.308 -0.056
6 HB3 CYS 1 1HB CYS 1 -13.234 2.230 1.136
7 H LYS 2 H LYS 2 -12.948 -1.861 -0.440
8 HA LYS 2 HA LYS 2 -10.279 -1.613 0.784
9 HB2 LYS 2 1HB LYS 2 -11.612 -3.182 2.133
10 HB3 LYS 2 2HB LYS 2 -11.989 -4.120 0.694
11 HG2 LYS 2 1HG LYS 2 -9.580 -4.633 0.432
12 HG3 LYS 2 2HG LYS 2 -9.253 -3.748 1.923
13 HD2 LYS 2 1HD LYS 2 -10.661 -5.324 3.172
14 HD3 LYS 2 2HD LYS 2 -11.019 -6.192 1.679
15 HE2 LYS 2 1HE LYS 2 -9.300 -7.365 2.927
16 HE3 LYS 2 2HE LYS 2 -8.628 -6.723 1.430
17 HZ1 LYS 2 1HZ LYS 2 -8.331 -5.485 4.120
18 HZ2 LYS 2 2HZ LYS 2 -7.662 -4.903 2.680
19 HZ3 LYS 2 3HZ LYS 2 -7.141 -6.383 3.311
20 H GLN 3 H GLN 3 -8.648 -1.973 -0.594
21 HA GLN 3 HA GLN 3 -9.129 -3.526 -3.051
22 HB2 GLN 3 1HB GLN 3 -9.377 -1.083 -3.562
23 HB3 GLN 3 2HB GLN 3 -7.732 -0.838 -3.000
24 HG2 GLN 3 1HG GLN 3 -7.564 -0.912 -5.330
25 HG3 GLN 3 2HG GLN 3 -7.030 -2.506 -4.799
26 HE21 GLN 3 1HE2 GLN 3 -9.644 -4.234 -6.378
27 HE22 GLN 3 2HE2 GLN 3 -8.351 -4.308 -5.238
28 H ARG 4 H ARG 4 -7.288 -4.576 -3.821
29 HA ARG 4 HA ARG 4 -4.930 -4.413 -2.066
30 HB2 ARG 4 1HB ARG 4 -4.480 -6.718 -2.456
31 HB3 ARG 4 2HB ARG 4 -6.182 -6.595 -2.041
32 HG2 ARG 4 1HG ARG 4 -6.694 -6.693 -4.496
33 HG3 ARG 4 2HG ARG 4 -4.987 -7.040 -4.771
34 HD2 ARG 4 1HD ARG 4 -6.993 -8.698 -3.251
35 HD3 ARG 4 2HD ARG 4 -6.130 -9.130 -4.727
36 HE ARG 4 HE ARG 4 -4.361 -8.603 -2.539
37 HH11 ARG 4 1HH1 ARG 4 -6.382 -11.066 -3.996
38 HH12 ARG 4 2HH1 ARG 4 -5.563 -12.373 -3.205
39 HH21 ARG 4 1HH2 ARG 4 -3.291 -10.315 -1.510
40 HH22 ARG 4 2HH2 ARG 4 -3.802 -11.951 -1.796
41 H ARG 5 H ARG 5 -2.912 -4.281 -2.964
42 HA ARG 5 HA ARG 5 -2.735 -3.861 -5.880
43 HB2 ARG 5 1HB ARG 5 -1.421 -2.091 -3.797
44 HB3 ARG 5 2HB ARG 5 -1.393 -1.866 -5.537
45 HG2 ARG 5 1HG ARG 5 -3.992 -1.821 -4.048
46 HG3 ARG 5 2HG ARG 5 -2.950 -0.401 -4.068
47 HD2 ARG 5 1HD ARG 5 -4.570 -0.178 -5.814
48 HD3 ARG 5 2HD ARG 5 -2.998 -0.468 -6.553
49 HE ARG 5 HE ARG 5 -4.209 -2.944 -6.328
50 HH11 ARG 5 1HH1 ARG 5 -4.983 0.101 -7.864
51 HH12 ARG 5 2HH1 ARG 5 -5.801 -0.641 -9.204
52 HH21 ARG 5 1HH2 ARG 5 -5.260 -3.922 -8.108
53 HH22 ARG 5 2HH2 ARG 5 -5.932 -2.922 -9.357
54 H ARG 6 H ARG 6 -0.463 -3.975 -6.644
55 HA ARG 6 HA ARG 6 1.399 -5.176 -4.715
56 HB2 ARG 6 1HB ARG 6 0.548 -6.984 -6.173
57 HB3 ARG 6 2HB ARG 6 1.080 -6.086 -7.590
58 HG2 ARG 6 1HG ARG 6 3.381 -6.328 -6.977
59 HG3 ARG 6 2HG ARG 6 2.946 -6.995 -5.403
60 HD2 ARG 6 1HD ARG 6 3.665 -8.772 -6.880
61 HD3 ARG 6 2HD ARG 6 1.946 -8.945 -6.527
62 HE ARG 6 HE ARG 6 2.151 -7.499 -8.888
63 HH11 ARG 6 1HH1 ARG 6 3.066 -10.677 -7.743
64 HH12 ARG 6 2HH1 ARG 6 2.844 -11.434 -9.290
65 HH21 ARG 6 1HH2 ARG 6 1.893 -8.491 -10.929
66 HH22 ARG 6 2HH2 ARG 6 2.185 -10.190 -11.100
67 H TYR 7 H TYR 7 3.134 -3.984 -4.533
68 HA TYR 7 HA TYR 7 3.858 -2.135 -6.716
69 HB2 TYR 7 2HB TYR 7 2.850 -1.171 -4.546
70 HB3 TYR 7 1HB TYR 7 4.350 -1.657 -3.766
71 HD1 TYR 7 1HD TYR 7 6.313 -0.307 -3.971
72 HD2 TYR 7 2HD TYR 7 2.914 0.507 -6.406
73 HE1 TYR 7 1HE TYR 7 7.328 1.823 -4.671
74 HE2 TYR 7 2HE TYR 7 3.922 2.630 -7.111
75 HH TYR 7 HH TYR 7 5.573 4.238 -6.312
76 H ARG 8 H ARG 8 6.140 -1.730 -6.965
77 HA ARG 8 HA ARG 8 7.871 -3.696 -5.635
78 HB2 ARG 8 1HB ARG 8 9.047 -4.141 -7.721
79 HB3 ARG 8 2HB ARG 8 7.345 -4.543 -7.880
80 HG2 ARG 8 1HG ARG 8 6.937 -2.535 -9.156
81 HG3 ARG 8 2HG ARG 8 8.595 -1.988 -8.887
82 HD2 ARG 8 1HD ARG 8 7.700 -4.395 -10.477
83 HD3 ARG 8 2HD ARG 8 8.455 -2.925 -11.097
84 HE ARG 8 HE ARG 8 10.069 -4.277 -9.147
85 HH11 ARG 8 1HH1 ARG 8 9.246 -4.169 -12.555
86 HH12 ARG 8 2HH1 ARG 8 10.708 -4.956 -13.053
87 HH21 ARG 8 1HH2 ARG 8 11.998 -5.268 -9.805
88 HH22 ARG 8 2HH2 ARG 8 12.288 -5.560 -11.493
89 H GLY 9 H GLY 9 9.955 -3.045 -5.231
90 HA2 GLY 9 1HA GLY 9 11.527 -1.069 -6.082
91 HA3 GLY 9 2HA GLY 9 10.343 -0.157 -5.151
92 H SER 10 H SER 10 9.907 -1.147 -2.920
93 HA SER 10 HA SER 10 11.843 -2.806 -1.696
94 HB2 SER 10 1HB SER 10 12.850 -1.195 -0.135
95 HB3 SER 10 2HB SER 10 13.225 -0.753 -1.799
96 HG SER 10 HG SER 10 11.832 0.924 -1.685
97 H GLU 11 H GLU 11 11.132 -3.505 0.332
98 HA GLU 11 HA GLU 11 8.417 -3.581 0.775
99 HB2 GLU 11 1HB GLU 11 10.650 -3.894 2.793
100 HB3 GLU 11 2HB GLU 11 8.980 -4.377 3.072
101 HG2 GLU 11 1HG GLU 11 9.093 -6.056 1.388
102 HG3 GLU 11 2HG GLU 11 10.649 -5.460 0.811
103 H GLU 12 H GLU 12 10.755 -1.260 2.018
104 HA GLU 12 HA GLU 12 9.067 0.004 3.887
105 HB2 GLU 12 1HB GLU 12 11.476 0.333 3.959
106 HB3 GLU 12 2HB GLU 12 11.450 1.102 2.376
107 HG2 GLU 12 1HG GLU 12 10.166 2.958 3.254
108 HG3 GLU 12 2HG GLU 12 10.056 2.175 4.828
109 H GLU 13 H GLU 13 9.970 1.122 0.571
110 HA GLU 13 HA GLU 13 8.182 3.303 0.648
111 HB2 GLU 13 1HB GLU 13 8.581 3.570 -1.724
112 HB3 GLU 13 2HB GLU 13 10.093 3.174 -0.924
113 HG2 GLU 13 1HG GLU 13 9.831 0.828 -1.678
114 HG3 GLU 13 2HG GLU 13 8.386 1.310 -2.568
115 H CYS 14 H CYS 14 7.754 -0.046 -0.152
116 HA CYS 14 HA CYS 14 5.243 0.143 -1.426
117 HB2 CYS 14 2HB CYS 14 6.419 -2.130 0.195
118 HB3 CYS 14 1HB CYS 14 5.002 -2.254 -0.845
119 H ARG 15 H ARG 15 6.061 -0.577 2.003
120 HA ARG 15 HA ARG 15 3.354 -0.614 2.843
121 HB2 ARG 15 1HB ARG 15 4.180 -0.499 5.127
122 HB3 ARG 15 2HB ARG 15 5.118 -1.653 4.192
123 HG2 ARG 15 1HG ARG 15 7.029 -0.377 4.262
124 HG3 ARG 15 2HG ARG 15 6.146 1.139 4.448
125 HD2 ARG 15 1HD ARG 15 6.320 -0.991 6.584
126 HD3 ARG 15 2HD ARG 15 7.388 0.411 6.493
127 HE ARG 15 HE ARG 15 5.098 1.670 6.524
128 HH11 ARG 15 1HH1 ARG 15 5.933 -1.180 8.388
129 HH12 ARG 15 2HH1 ARG 15 4.897 -0.760 9.712
130 HH21 ARG 15 1HH2 ARG 15 3.759 2.225 8.261
131 HH22 ARG 15 2HH2 ARG 15 3.660 1.177 9.647
132 H LYS 16 H LYS 16 5.750 1.944 2.597
133 HA LYS 16 HA LYS 16 4.363 4.007 3.885
134 HB2 LYS 16 1HB LYS 16 6.207 4.133 1.480
135 HB3 LYS 16 2HB LYS 16 5.645 5.543 2.364
136 HG2 LYS 16 1HG LYS 16 7.348 3.319 3.487
137 HG3 LYS 16 2HG LYS 16 7.911 4.920 3.009
138 HD2 LYS 16 1HD LYS 16 5.959 4.290 5.228
139 HD3 LYS 16 2HD LYS 16 7.634 4.808 5.420
140 HE2 LYS 16 1HE LYS 16 5.385 6.416 4.202
141 HE3 LYS 16 2HE LYS 16 6.121 6.679 5.781
142 HZ1 LYS 16 1HZ LYS 16 7.013 8.227 4.201
143 HZ2 LYS 16 2HZ LYS 16 7.446 6.987 3.140
144 HZ3 LYS 16 3HZ LYS 16 8.232 7.135 4.629
145 H TYR 17 H TYR 17 4.442 3.171 0.427
146 HA TYR 17 HA TYR 17 2.529 4.874 -0.561
147 HB2 TYR 17 2HB TYR 17 3.919 3.330 -1.925
148 HB3 TYR 17 1HB TYR 17 2.957 1.974 -1.354
149 HD1 TYR 17 1HD TYR 17 0.800 1.487 -2.320
150 HD2 TYR 17 2HD TYR 17 2.916 5.006 -3.472
151 HE1 TYR 17 1HE TYR 17 -0.735 1.787 -4.217
152 HE2 TYR 17 2HE TYR 17 1.379 5.310 -5.368
153 HH TYR 17 HH TYR 17 -0.099 3.871 -6.779
154 H ALA 18 H ALA 18 2.050 1.665 0.878
155 HA ALA 18 HA ALA 18 -0.726 1.492 0.561
156 HB1 ALA 18 1HB ALA 18 0.978 0.276 2.735
157 HB2 ALA 18 2HB ALA 18 0.696 -0.410 1.134
158 HB3 ALA 18 3HB ALA 18 -0.644 -0.244 2.267
159 H GLU 19 H GLU 19 1.022 2.347 3.576
160 HA GLU 19 HA GLU 19 -1.373 2.881 4.986
161 HB2 GLU 19 1HB GLU 19 0.055 3.717 6.773
162 HB3 GLU 19 2HB GLU 19 0.697 2.220 6.114
163 HG2 GLU 19 1HG GLU 19 2.308 3.553 4.782
164 HG3 GLU 19 2HG GLU 19 1.716 5.006 5.585
165 H GLU 20 H GLU 20 0.844 4.950 3.194
166 HA GLU 20 HA GLU 20 -0.335 7.397 4.060
167 HB2 GLU 20 1HB GLU 20 1.386 6.784 1.648
168 HB3 GLU 20 2HB GLU 20 0.899 8.404 2.138
169 HG2 GLU 20 1HG GLU 20 2.036 8.069 4.303
170 HG3 GLU 20 2HG GLU 20 2.581 6.487 3.748
171 H LEU 21 H LEU 21 -0.902 5.191 1.378
172 HA LEU 21 HA LEU 21 -2.806 6.753 -0.007
173 HB2 LEU 21 1HB LEU 21 -1.629 4.534 -0.670
174 HB3 LEU 21 2HB LEU 21 -2.908 3.742 0.220
175 HG LEU 21 HG LEU 21 -3.356 5.554 -2.167
176 HD11 LEU 21 1HD1 LEU 21 -3.799 3.484 -3.416
177 HD12 LEU 21 2HD1 LEU 21 -3.302 2.538 -2.010
178 HD13 LEU 21 3HD1 LEU 21 -2.134 3.568 -2.839
179 HD21 LEU 21 1HD2 LEU 21 -5.608 4.575 -2.195
180 HD22 LEU 21 2HD2 LEU 21 -5.297 5.453 -0.698
181 HD23 LEU 21 3HD2 LEU 21 -5.240 3.690 -0.713
182 H SER 22 H SER 22 -3.025 4.483 2.693
183 HA SER 22 HA SER 22 -5.860 4.485 2.852
184 HB2 SER 22 1HB SER 22 -4.391 2.664 3.735
185 HB3 SER 22 2HB SER 22 -3.877 3.750 5.025
186 HG SER 22 HG SER 22 -6.623 3.283 4.596
187 H ARG 23 H ARG 23 -3.348 6.466 4.395
188 HA ARG 23 HA ARG 23 -5.213 7.763 6.169
189 HB2 ARG 23 1HB ARG 23 -3.418 9.291 6.737
190 HB3 ARG 23 2HB ARG 23 -2.787 7.650 6.709
191 HG2 ARG 23 1HG ARG 23 -1.717 8.020 4.606
192 HG3 ARG 23 2HG ARG 23 -2.505 9.586 4.419
193 HD2 ARG 23 1HD ARG 23 -0.552 8.900 6.618
194 HD3 ARG 23 2HD ARG 23 -0.123 9.740 5.127
195 HE ARG 23 HE ARG 23 -2.271 11.011 6.536
196 HH11 ARG 23 1HH1 ARG 23 1.225 10.735 6.366
197 HH12 ARG 23 2HH1 ARG 23 1.498 12.285 7.097
198 HH21 ARG 23 1HH2 ARG 23 -1.909 13.032 7.477
199 HH22 ARG 23 2HH2 ARG 23 -0.286 13.593 7.736
200 H ARG 24 H ARG 24 -3.948 8.319 2.948
201 HA ARG 24 HA ARG 24 -4.947 10.956 2.594
202 HB2 ARG 24 1HB ARG 24 -3.233 10.076 1.118
203 HB3 ARG 24 2HB ARG 24 -4.291 8.769 0.603
204 HG2 ARG 24 1HG ARG 24 -5.798 10.422 -0.428
205 HG3 ARG 24 2HG ARG 24 -4.684 11.706 0.045
206 HD2 ARG 24 1HD ARG 24 -2.919 10.650 -1.305
207 HD3 ARG 24 2HD ARG 24 -4.060 9.400 -1.803
208 HE ARG 24 HE ARG 24 -5.391 11.435 -2.681
209 HH11 ARG 24 1HH1 ARG 24 -1.898 11.078 -2.750
210 HH12 ARG 24 2HH1 ARG 24 -1.695 12.141 -4.107
211 HH21 ARG 24 1HH2 ARG 24 -5.117 12.851 -4.443
212 HH22 ARG 24 2HH2 ARG 24 -3.524 13.166 -5.053
213 H THR 25 H THR 25 -6.109 7.996 1.019
214 HA THR 25 HA THR 25 -8.749 9.189 0.709
215 HB THR 25 HB THR 25 -7.756 6.525 -0.337
216 HG1 THR 25 1HG THR 25 -7.616 8.077 -2.322
217 HG21 THR 25 1HG2 THR 25 -10.199 6.845 -0.413
218 HG22 THR 25 2HG2 THR 25 -9.506 6.835 -2.035
219 HG23 THR 25 3HG2 THR 25 -9.972 8.361 -1.284
220 H GLY 26 H GLY 26 -10.565 8.455 1.743
221 HA2 GLY 26 1HA GLY 26 -10.289 6.891 4.104
222 HA3 GLY 26 2HA GLY 26 -11.799 7.447 3.394
223 H CYS 27 H CYS 27 -9.269 5.000 3.013
224 HA CYS 27 HA CYS 27 -11.261 2.947 2.518
225 HB2 CYS 27 2HB CYS 27 -9.169 3.712 0.467
226 HB3 CYS 27 1HB CYS 27 -10.026 2.175 0.444
227 H GLU 28 H GLU 28 -10.106 0.787 2.204
228 HA GLU 28 HA GLU 28 -7.647 0.681 3.821
229 HB2 GLU 28 1HB GLU 28 -9.519 -0.479 4.898
230 HB3 GLU 28 2HB GLU 28 -9.802 -1.419 3.439
231 HG2 GLU 28 1HG GLU 28 -7.694 -2.545 3.684
232 HG3 GLU 28 2HG GLU 28 -7.266 -1.528 5.061
233 H VAL 29 H VAL 29 -5.917 0.331 2.613
234 HA VAL 29 HA VAL 29 -6.219 -1.186 0.108
235 HB VAL 29 HB VAL 29 -5.606 1.124 -0.342
236 HG11 VAL 29 1HG1 VAL 29 -3.215 0.642 1.441
237 HG12 VAL 29 2HG1 VAL 29 -4.575 1.713 1.778
238 HG13 VAL 29 3HG1 VAL 29 -3.478 2.075 0.447
239 HG21 VAL 29 1HG2 VAL 29 -4.682 -0.601 -1.802
240 HG22 VAL 29 2HG2 VAL 29 -3.264 -0.739 -0.761
241 HG23 VAL 29 3HG2 VAL 29 -3.566 0.757 -1.647
242 H GLU 30 H GLU 30 -5.114 -2.988 -0.088
243 HA GLU 30 HA GLU 30 -3.099 -3.670 1.957
244 HB2 GLU 30 1HB GLU 30 -5.266 -4.975 1.964
245 HB3 GLU 30 2HB GLU 30 -4.856 -5.553 0.355
246 HG2 GLU 30 1HG GLU 30 -2.835 -6.612 1.262
247 HG3 GLU 30 2HG GLU 30 -3.277 -6.047 2.874
248 H VAL 31 H VAL 31 -1.092 -3.658 1.110
249 HA VAL 31 HA VAL 31 -0.818 -4.066 -1.793
250 HB VAL 31 HB VAL 31 0.906 -2.349 0.020
251 HG11 VAL 31 1HG1 VAL 31 2.195 -3.283 -1.827
252 HG12 VAL 31 2HG1 VAL 31 1.948 -1.553 -2.060
253 HG13 VAL 31 3HG1 VAL 31 0.987 -2.711 -2.980
254 HG21 VAL 31 1HG2 VAL 31 -0.076 -0.436 -1.180
255 HG22 VAL 31 2HG2 VAL 31 -1.302 -1.357 -0.310
256 HG23 VAL 31 3HG2 VAL 31 -1.140 -1.538 -2.055
257 H GLU 32 H GLU 32 0.744 -5.367 -2.541
258 HA GLU 32 HA GLU 32 2.418 -6.844 -0.611
259 HB2 GLU 32 1HB GLU 32 0.886 -8.337 -1.775
260 HB3 GLU 32 2HB GLU 32 1.332 -7.652 -3.331
261 HG2 GLU 32 1HG GLU 32 2.374 -9.799 -3.080
262 HG3 GLU 32 2HG GLU 32 3.613 -8.550 -3.041
263 H CYS 33 H CYS 33 4.645 -6.993 -1.075
264 HA CYS 33 HA CYS 33 5.508 -4.915 -2.990
265 HB2 CYS 33 2HB CYS 33 5.767 -4.328 -0.582
266 HB3 CYS 33 1HB CYS 33 6.859 -5.695 -0.400
267 H GLU 34 H GLU 34 7.035 -5.337 -4.410
268 HA GLU 34 HA GLU 34 8.720 -7.742 -4.107
269 HB2 GLU 34 1HB GLU 34 7.667 -6.614 -6.724
270 HB3 GLU 34 2HB GLU 34 8.710 -8.019 -6.544
271 HG2 GLU 34 1HG GLU 34 6.900 -9.177 -5.336
272 HG3 GLU 34 2HG GLU 34 5.860 -7.774 -5.594
273 H THR 35 H THR 35 10.650 -7.392 -5.828
274 HA THR 35 HA THR 35 11.702 -4.695 -5.304
275 HB THR 35 HB THR 35 13.237 -7.176 -6.130
276 HG1 THR 35 1HG THR 35 12.401 -6.197 -3.652
277 HG21 THR 35 1HG2 THR 35 15.209 -5.875 -5.396
278 HG22 THR 35 2HG2 THR 35 14.168 -4.481 -5.100
279 HG23 THR 35 3HG2 THR 35 14.375 -5.096 -6.741
Start of MODEL 5
1 H1 CYS 1 1H CYS 1 -14.600 -1.266 -1.519
2 H2 CYS 1 2H CYS 1 -13.570 -0.930 -2.817
3 H3 CYS 1 3H CYS 1 -14.830 0.130 -2.448
4 HA CYS 1 HA CYS 1 -12.731 1.014 -1.726
5 HB2 CYS 1 2HB CYS 1 -14.819 1.512 -0.471
6 HB3 CYS 1 1HB CYS 1 -14.479 0.155 0.596
7 H LYS 2 H LYS 2 -12.605 -2.137 -1.818
8 HA LYS 2 HA LYS 2 -10.338 -2.291 0.064
9 HB2 LYS 2 1HB LYS 2 -12.115 -4.466 -1.053
10 HB3 LYS 2 2HB LYS 2 -10.542 -4.821 -0.350
11 HG2 LYS 2 1HG LYS 2 -11.335 -3.686 1.752
12 HG3 LYS 2 2HG LYS 2 -12.942 -3.623 1.023
13 HD2 LYS 2 1HD LYS 2 -12.995 -6.047 0.851
14 HD3 LYS 2 2HD LYS 2 -11.352 -6.158 1.480
15 HE2 LYS 2 1HE LYS 2 -12.950 -6.678 3.232
16 HE3 LYS 2 2HE LYS 2 -12.121 -5.165 3.603
17 HZ1 LYS 2 1HZ LYS 2 -14.477 -4.981 4.035
18 HZ2 LYS 2 2HZ LYS 2 -14.845 -5.423 2.449
19 HZ3 LYS 2 3HZ LYS 2 -14.052 -3.962 2.756
20 H GLN 3 H GLN 3 -8.434 -2.097 -0.856
21 HA GLN 3 HA GLN 3 -8.152 -2.769 -3.716
22 HB2 GLN 3 1HB GLN 3 -6.613 -0.760 -2.058
23 HB3 GLN 3 2HB GLN 3 -6.281 -1.139 -3.740
24 HG2 GLN 3 1HG GLN 3 -8.986 -0.184 -2.908
25 HG3 GLN 3 2HG GLN 3 -7.671 0.961 -3.157
26 HE21 GLN 3 1HE2 GLN 3 -8.856 1.160 -6.435
27 HE22 GLN 3 2HE2 GLN 3 -8.695 1.929 -4.897
28 H ARG 4 H ARG 4 -6.845 -4.327 -4.197
29 HA ARG 4 HA ARG 4 -4.782 -5.201 -2.263
30 HB2 ARG 4 1HB ARG 4 -6.812 -6.763 -2.970
31 HB3 ARG 4 2HB ARG 4 -5.854 -7.011 -4.420
32 HG2 ARG 4 1HG ARG 4 -4.820 -7.511 -1.632
33 HG3 ARG 4 2HG ARG 4 -5.575 -8.748 -2.634
34 HD2 ARG 4 1HD ARG 4 -3.091 -7.186 -3.363
35 HD3 ARG 4 2HD ARG 4 -3.108 -8.825 -2.709
36 HE ARG 4 HE ARG 4 -4.541 -8.291 -5.215
37 HH11 ARG 4 1HH1 ARG 4 -1.857 -9.809 -3.539
38 HH12 ARG 4 2HH1 ARG 4 -1.412 -10.792 -4.899
39 HH21 ARG 4 1HH2 ARG 4 -3.960 -9.605 -6.985
40 HH22 ARG 4 2HH2 ARG 4 -2.606 -10.683 -6.849
41 H ARG 5 H ARG 5 -2.841 -4.493 -2.955
42 HA ARG 5 HA ARG 5 -2.581 -3.896 -5.839
43 HB2 ARG 5 1HB ARG 5 -2.729 -2.013 -4.046
44 HB3 ARG 5 2HB ARG 5 -1.078 -2.458 -3.673
45 HG2 ARG 5 1HG ARG 5 -1.273 -0.531 -5.221
46 HG3 ARG 5 2HG ARG 5 -0.326 -1.874 -5.863
47 HD2 ARG 5 1HD ARG 5 -1.910 -0.834 -7.502
48 HD3 ARG 5 2HD ARG 5 -2.120 -2.569 -7.279
49 HE ARG 5 HE ARG 5 -3.849 -1.114 -5.563
50 HH11 ARG 5 1HH1 ARG 5 -3.444 -1.966 -8.936
51 HH12 ARG 5 2HH1 ARG 5 -5.151 -2.004 -9.261
52 HH21 ARG 5 1HH2 ARG 5 -6.117 -1.143 -6.020
53 HH22 ARG 5 2HH2 ARG 5 -6.650 -1.548 -7.618
54 H ARG 6 H ARG 6 -0.568 -4.062 -6.807
55 HA ARG 6 HA ARG 6 1.455 -5.656 -5.381
56 HB2 ARG 6 1HB ARG 6 2.089 -6.586 -7.609
57 HB3 ARG 6 2HB ARG 6 0.465 -7.032 -7.107
58 HG2 ARG 6 1HG ARG 6 -0.448 -5.268 -8.576
59 HG3 ARG 6 2HG ARG 6 1.190 -4.899 -9.116
60 HD2 ARG 6 1HD ARG 6 1.404 -7.230 -9.934
61 HD3 ARG 6 2HD ARG 6 -0.273 -7.519 -9.464
62 HE ARG 6 HE ARG 6 0.553 -5.566 -11.524
63 HH11 ARG 6 1HH1 ARG 6 -1.716 -7.936 -10.289
64 HH12 ARG 6 2HH1 ARG 6 -2.769 -7.832 -11.667
65 HH21 ARG 6 1HH2 ARG 6 -0.831 -5.448 -13.342
66 HH22 ARG 6 2HH2 ARG 6 -2.269 -6.420 -13.392
67 H TYR 7 H TYR 7 3.096 -4.404 -4.891
68 HA TYR 7 HA TYR 7 3.903 -2.217 -6.717
69 HB2 TYR 7 2HB TYR 7 2.822 -1.601 -4.454
70 HB3 TYR 7 1HB TYR 7 4.274 -2.248 -3.707
71 HD1 TYR 7 1HD TYR 7 6.516 -1.136 -4.273
72 HD2 TYR 7 2HD TYR 7 2.749 0.600 -5.256
73 HE1 TYR 7 1HE TYR 7 7.588 1.067 -4.484
74 HE2 TYR 7 2HE TYR 7 3.817 2.802 -5.475
75 HH TYR 7 HH TYR 7 5.880 3.940 -4.572
76 H ARG 8 H ARG 8 6.175 -2.019 -7.069
77 HA ARG 8 HA ARG 8 7.783 -4.194 -5.890
78 HB2 ARG 8 1HB ARG 8 8.972 -4.454 -7.991
79 HB3 ARG 8 2HB ARG 8 7.246 -4.685 -8.236
80 HG2 ARG 8 1HG ARG 8 7.095 -2.388 -9.132
81 HG3 ARG 8 2HG ARG 8 8.843 -2.224 -8.943
82 HD2 ARG 8 1HD ARG 8 9.147 -4.165 -10.454
83 HD3 ARG 8 2HD ARG 8 7.400 -4.221 -10.693
84 HE ARG 8 HE ARG 8 8.740 -1.711 -11.329
85 HH11 ARG 8 1HH1 ARG 8 7.332 -4.691 -12.496
86 HH12 ARG 8 2HH1 ARG 8 7.187 -4.135 -14.131
87 HH21 ARG 8 1HH2 ARG 8 8.596 -0.986 -13.489
88 HH22 ARG 8 2HH2 ARG 8 7.907 -2.029 -14.699
89 H GLY 9 H GLY 9 9.825 -3.754 -5.268
90 HA2 GLY 9 1HA GLY 9 11.655 -1.919 -5.781
91 HA3 GLY 9 2HA GLY 9 10.483 -0.927 -4.919
92 H SER 10 H SER 10 10.113 -1.286 -2.731
93 HA SER 10 HA SER 10 11.508 -3.395 -1.322
94 HB2 SER 10 1HB SER 10 12.113 -0.471 -0.742
95 HB3 SER 10 2HB SER 10 12.650 -1.839 0.237
96 HG SER 10 HG SER 10 13.380 -1.215 -2.432
97 H GLU 11 H GLU 11 10.667 -3.724 0.787
98 HA GLU 11 HA GLU 11 7.940 -3.324 1.069
99 HB2 GLU 11 1HB GLU 11 8.218 -4.068 3.406
100 HB3 GLU 11 2HB GLU 11 9.105 -5.081 2.275
101 HG2 GLU 11 1HG GLU 11 11.177 -3.906 2.854
102 HG3 GLU 11 2HG GLU 11 10.284 -2.913 4.005
103 H GLU 12 H GLU 12 10.613 -1.337 2.112
104 HA GLU 12 HA GLU 12 9.351 0.495 3.770
105 HB2 GLU 12 1HB GLU 12 11.764 0.510 3.390
106 HB3 GLU 12 2HB GLU 12 11.528 0.952 1.707
107 HG2 GLU 12 1HG GLU 12 12.229 2.887 2.926
108 HG3 GLU 12 2HG GLU 12 10.547 3.106 2.448
109 H GLU 13 H GLU 13 9.912 0.849 0.271
110 HA GLU 13 HA GLU 13 8.368 3.112 -0.179
111 HB2 GLU 13 1HB GLU 13 8.937 0.787 -2.040
112 HB3 GLU 13 2HB GLU 13 8.310 2.348 -2.554
113 HG2 GLU 13 1HG GLU 13 10.951 1.991 -1.152
114 HG3 GLU 13 2HG GLU 13 10.765 2.000 -2.904
115 H CYS 14 H CYS 14 7.475 -0.304 -0.289
116 HA CYS 14 HA CYS 14 4.882 0.087 -1.334
117 HB2 CYS 14 2HB CYS 14 6.038 -2.241 0.223
118 HB3 CYS 14 1HB CYS 14 4.519 -2.277 -0.667
119 H ARG 15 H ARG 15 6.059 -0.257 2.012
120 HA ARG 15 HA ARG 15 3.412 -0.166 3.124
121 HB2 ARG 15 1HB ARG 15 6.161 0.001 4.359
122 HB3 ARG 15 2HB ARG 15 4.691 0.170 5.313
123 HG2 ARG 15 1HG ARG 15 5.436 -2.234 3.646
124 HG3 ARG 15 2HG ARG 15 5.575 -2.111 5.401
125 HD2 ARG 15 1HD ARG 15 3.168 -1.874 5.612
126 HD3 ARG 15 2HD ARG 15 2.985 -1.854 3.859
127 HE ARG 15 HE ARG 15 4.227 -4.225 4.974
128 HH11 ARG 15 1HH1 ARG 15 1.193 -2.728 4.032
129 HH12 ARG 15 2HH1 ARG 15 0.416 -4.242 3.675
130 HH21 ARG 15 1HH2 ARG 15 3.195 -6.203 4.538
131 HH22 ARG 15 2HH2 ARG 15 1.549 -6.221 3.988
132 H LYS 16 H LYS 16 5.871 2.192 2.340
133 HA LYS 16 HA LYS 16 4.726 4.410 3.684
134 HB2 LYS 16 1HB LYS 16 6.533 4.131 1.289
135 HB3 LYS 16 2HB LYS 16 5.899 5.704 1.746
136 HG2 LYS 16 1HG LYS 16 7.470 3.930 3.607
137 HG3 LYS 16 2HG LYS 16 8.187 5.198 2.610
138 HD2 LYS 16 1HD LYS 16 6.777 6.873 3.718
139 HD3 LYS 16 2HD LYS 16 6.040 5.610 4.703
140 HE2 LYS 16 1HE LYS 16 8.980 6.304 4.716
141 HE3 LYS 16 2HE LYS 16 7.804 6.895 5.887
142 HZ1 LYS 16 1HZ LYS 16 9.032 4.965 6.700
143 HZ2 LYS 16 2HZ LYS 16 8.448 4.037 5.418
144 HZ3 LYS 16 3HZ LYS 16 7.378 4.641 6.578
145 H TYR 17 H TYR 17 4.345 3.135 0.398
146 HA TYR 17 HA TYR 17 2.453 4.946 -0.561
147 HB2 TYR 17 2HB TYR 17 3.612 3.317 -1.993
148 HB3 TYR 17 1HB TYR 17 2.772 1.996 -1.194
149 HD1 TYR 17 1HD TYR 17 0.752 1.198 -2.078
150 HD2 TYR 17 2HD TYR 17 2.139 5.059 -3.233
151 HE1 TYR 17 1HE TYR 17 -1.045 1.342 -3.749
152 HE2 TYR 17 2HE TYR 17 0.341 5.208 -4.903
153 HH TYR 17 HH TYR 17 -1.110 3.732 -6.176
154 H ALA 18 H ALA 18 2.002 1.832 1.093
155 HA ALA 18 HA ALA 18 -0.800 1.837 1.184
156 HB1 ALA 18 1HB ALA 18 -0.578 0.185 2.970
157 HB2 ALA 18 2HB ALA 18 1.125 0.605 3.158
158 HB3 ALA 18 3HB ALA 18 0.562 -0.142 1.663
159 H GLU 19 H GLU 19 1.565 3.061 3.530
160 HA GLU 19 HA GLU 19 -0.152 3.891 5.559
161 HB2 GLU 19 1HB GLU 19 2.195 3.857 5.980
162 HB3 GLU 19 2HB GLU 19 2.531 4.920 4.625
163 HG2 GLU 19 1HG GLU 19 2.844 6.142 6.652
164 HG3 GLU 19 2HG GLU 19 1.406 6.763 5.848
165 H GLU 20 H GLU 20 1.267 5.916 2.995
166 HA GLU 20 HA GLU 20 -0.138 8.241 3.588
167 HB2 GLU 20 1HB GLU 20 1.031 7.284 0.966
168 HB3 GLU 20 2HB GLU 20 0.422 8.915 1.227
169 HG2 GLU 20 1HG GLU 20 2.081 9.302 2.945
170 HG3 GLU 20 2HG GLU 20 2.651 7.640 2.807
171 H LEU 21 H LEU 21 -0.961 5.601 1.373
172 HA LEU 21 HA LEU 21 -3.217 6.821 0.201
173 HB2 LEU 21 1HB LEU 21 -1.844 4.549 -0.286
174 HB3 LEU 21 2HB LEU 21 -3.217 3.862 0.560
175 HG LEU 21 HG LEU 21 -3.270 5.470 -2.003
176 HD11 LEU 21 1HD1 LEU 21 -4.134 3.393 -2.975
177 HD12 LEU 21 2HD1 LEU 21 -3.939 2.586 -1.417
178 HD13 LEU 21 3HD1 LEU 21 -2.524 3.182 -2.285
179 HD21 LEU 21 1HD2 LEU 21 -5.602 4.361 -0.426
180 HD22 LEU 21 2HD2 LEU 21 -5.694 5.044 -2.050
181 HD23 LEU 21 3HD2 LEU 21 -5.230 6.067 -0.690
182 H SER 22 H SER 22 -2.938 4.566 2.934
183 HA SER 22 HA SER 22 -5.707 4.322 3.408
184 HB2 SER 22 1HB SER 22 -4.023 2.682 4.195
185 HB3 SER 22 2HB SER 22 -3.416 3.871 5.345
186 HG SER 22 HG SER 22 -6.143 3.388 5.454
187 H ARG 23 H ARG 23 -3.256 6.523 4.728
188 HA ARG 23 HA ARG 23 -5.142 7.677 6.596
189 HB2 ARG 23 1HB ARG 23 -3.356 9.143 7.276
190 HB3 ARG 23 2HB ARG 23 -2.723 7.510 7.133
191 HG2 ARG 23 1HG ARG 23 -1.835 8.135 4.878
192 HG3 ARG 23 2HG ARG 23 -2.331 9.796 5.206
193 HD2 ARG 23 1HD ARG 23 -0.369 8.162 6.819
194 HD3 ARG 23 2HD ARG 23 0.030 9.478 5.717
195 HE ARG 23 HE ARG 23 -1.388 10.883 7.310
196 HH11 ARG 23 1HH1 ARG 23 0.338 8.031 8.383
197 HH12 ARG 23 2HH1 ARG 23 0.718 8.693 9.945
198 HH21 ARG 23 1HH2 ARG 23 -0.910 11.760 9.363
199 HH22 ARG 23 2HH2 ARG 23 0.018 10.828 10.498
200 H ARG 24 H ARG 24 -4.170 8.244 3.324
201 HA ARG 24 HA ARG 24 -5.007 10.980 3.193
202 HB2 ARG 24 1HB ARG 24 -3.441 10.074 1.543
203 HB3 ARG 24 2HB ARG 24 -4.657 8.928 0.988
204 HG2 ARG 24 1HG ARG 24 -6.054 10.759 0.196
205 HG3 ARG 24 2HG ARG 24 -4.882 11.933 0.798
206 HD2 ARG 24 1HD ARG 24 -3.213 11.104 -0.771
207 HD3 ARG 24 2HD ARG 24 -4.335 9.864 -1.338
208 HE ARG 24 HE ARG 24 -5.751 12.056 -1.795
209 HH11 ARG 24 1HH1 ARG 24 -2.405 11.335 -2.559
210 HH12 ARG 24 2HH1 ARG 24 -2.342 12.460 -3.880
211 HH21 ARG 24 1HH2 ARG 24 -5.658 13.528 -3.525
212 HH22 ARG 24 2HH2 ARG 24 -4.194 13.688 -4.444
213 H THR 25 H THR 25 -6.476 7.922 2.117
214 HA THR 25 HA THR 25 -9.107 9.265 2.132
215 HB THR 25 HB THR 25 -9.791 7.489 0.467
216 HG1 THR 25 1HG THR 25 -7.576 6.362 1.092
217 HG21 THR 25 1HG2 THR 25 -8.717 8.576 -1.465
218 HG22 THR 25 2HG2 THR 25 -7.552 9.345 -0.386
219 HG23 THR 25 3HG2 THR 25 -9.263 9.761 -0.280
220 H GLY 26 H GLY 26 -10.711 8.362 3.333
221 HA2 GLY 26 1HA GLY 26 -10.068 6.333 5.243
222 HA3 GLY 26 2HA GLY 26 -11.647 7.065 4.988
223 H CYS 27 H CYS 27 -9.396 4.770 3.486
224 HA CYS 27 HA CYS 27 -11.667 3.049 2.789
225 HB2 CYS 27 2HB CYS 27 -10.853 4.570 0.848
226 HB3 CYS 27 1HB CYS 27 -9.431 3.532 0.821
227 H GLU 28 H GLU 28 -10.578 0.872 1.801
228 HA GLU 28 HA GLU 28 -8.478 0.146 3.748
229 HB2 GLU 28 1HB GLU 28 -10.684 -0.915 4.152
230 HB3 GLU 28 2HB GLU 28 -10.622 -1.623 2.544
231 HG2 GLU 28 1HG GLU 28 -10.015 -3.213 4.325
232 HG3 GLU 28 2HG GLU 28 -8.721 -2.969 3.151
233 H VAL 29 H VAL 29 -6.582 -0.259 2.869
234 HA VAL 29 HA VAL 29 -6.451 -1.508 0.215
235 HB VAL 29 HB VAL 29 -6.089 0.846 -0.212
236 HG11 VAL 29 1HG1 VAL 29 -4.282 2.120 0.835
237 HG12 VAL 29 2HG1 VAL 29 -3.898 0.743 1.868
238 HG13 VAL 29 3HG1 VAL 29 -5.452 1.563 2.034
239 HG21 VAL 29 1HG2 VAL 29 -3.481 -0.689 -0.276
240 HG22 VAL 29 2HG2 VAL 29 -3.822 0.777 -1.193
241 HG23 VAL 29 3HG2 VAL 29 -4.736 -0.694 -1.519
242 H GLU 30 H GLU 30 -5.232 -3.247 0.250
243 HA GLU 30 HA GLU 30 -2.984 -3.421 2.138
244 HB2 GLU 30 1HB GLU 30 -4.696 -5.175 2.474
245 HB3 GLU 30 2HB GLU 30 -4.517 -5.676 0.799
246 HG2 GLU 30 1HG GLU 30 -3.330 -7.151 2.371
247 HG3 GLU 30 2HG GLU 30 -2.249 -6.392 1.198
248 H VAL 31 H VAL 31 -0.985 -3.695 1.310
249 HA VAL 31 HA VAL 31 -0.766 -3.835 -1.631
250 HB VAL 31 HB VAL 31 0.976 -2.208 0.253
251 HG11 VAL 31 1HG1 VAL 31 2.264 -3.042 -1.634
252 HG12 VAL 31 2HG1 VAL 31 1.993 -1.308 -1.810
253 HG13 VAL 31 3HG1 VAL 31 1.044 -2.450 -2.761
254 HG21 VAL 31 1HG2 VAL 31 -1.090 -1.293 -1.762
255 HG22 VAL 31 2HG2 VAL 31 -0.003 -0.235 -0.865
256 HG23 VAL 31 3HG2 VAL 31 -1.220 -1.178 -0.007
257 H GLU 32 H GLU 32 0.685 -5.238 -2.439
258 HA GLU 32 HA GLU 32 2.393 -6.715 -0.528
259 HB2 GLU 32 1HB GLU 32 1.111 -7.607 -3.119
260 HB3 GLU 32 2HB GLU 32 2.373 -8.528 -2.312
261 HG2 GLU 32 1HG GLU 32 0.915 -8.683 -0.307
262 HG3 GLU 32 2HG GLU 32 -0.353 -7.860 -1.214
263 H CYS 33 H CYS 33 4.547 -7.067 -1.092
264 HA CYS 33 HA CYS 33 5.505 -5.037 -3.004
265 HB2 CYS 33 2HB CYS 33 5.764 -4.739 -0.426
266 HB3 CYS 33 1HB CYS 33 7.061 -5.920 -0.584
267 H GLU 34 H GLU 34 6.695 -5.750 -4.622
268 HA GLU 34 HA GLU 34 7.961 -8.403 -4.459
269 HB2 GLU 34 1HB GLU 34 6.927 -6.887 -6.874
270 HB3 GLU 34 2HB GLU 34 7.738 -8.447 -6.931
271 HG2 GLU 34 1HG GLU 34 5.136 -7.931 -5.501
272 HG3 GLU 34 2HG GLU 34 5.270 -8.574 -7.136
273 H THR 35 H THR 35 9.971 -8.617 -5.685
274 HA THR 35 HA THR 35 11.351 -6.346 -6.675
275 HB THR 35 HB THR 35 11.651 -5.742 -4.357
276 HG1 THR 35 1HG THR 35 14.064 -6.127 -4.239
277 HG21 THR 35 1HG2 THR 35 12.789 -8.509 -3.918
278 HG22 THR 35 2HG2 THR 35 11.248 -7.913 -3.300
279 HG23 THR 35 3HG2 THR 35 12.761 -7.208 -2.729
Start of MODEL 6
1 H1 CYS 1 1H CYS 1 -14.685 -0.907 -1.037
2 H2 CYS 1 2H CYS 1 -13.458 -0.752 -2.190
3 H3 CYS 1 3H CYS 1 -14.517 0.533 -1.905
4 HA CYS 1 HA CYS 1 -12.351 0.892 -0.912
5 HB2 CYS 1 2HB CYS 1 -14.814 0.691 0.790
6 HB3 CYS 1 1HB CYS 1 -13.291 1.199 1.514
7 H LYS 2 H LYS 2 -12.922 -2.174 -1.088
8 HA LYS 2 HA LYS 2 -10.762 -2.750 0.824
9 HB2 LYS 2 1HB LYS 2 -13.189 -4.436 0.191
10 HB3 LYS 2 2HB LYS 2 -11.698 -5.168 0.771
11 HG2 LYS 2 1HG LYS 2 -11.825 -3.899 2.828
12 HG3 LYS 2 2HG LYS 2 -13.251 -3.036 2.243
13 HD2 LYS 2 1HD LYS 2 -14.557 -5.050 2.257
14 HD3 LYS 2 2HD LYS 2 -13.134 -6.036 2.598
15 HE2 LYS 2 1HE LYS 2 -14.178 -3.905 4.460
16 HE3 LYS 2 2HE LYS 2 -14.647 -5.601 4.562
17 HZ1 LYS 2 1HZ LYS 2 -12.848 -5.050 6.087
18 HZ2 LYS 2 2HZ LYS 2 -11.869 -4.575 4.799
19 HZ3 LYS 2 3HZ LYS 2 -12.348 -6.190 4.943
20 H GLN 3 H GLN 3 -9.225 -2.388 -0.767
21 HA GLN 3 HA GLN 3 -9.173 -4.313 -2.991
22 HB2 GLN 3 1HB GLN 3 -10.309 -2.110 -3.640
23 HB3 GLN 3 2HB GLN 3 -8.731 -1.361 -3.474
24 HG2 GLN 3 1HG GLN 3 -7.839 -2.781 -5.227
25 HG3 GLN 3 2HG GLN 3 -9.376 -3.632 -5.352
26 HE21 GLN 3 1HE2 GLN 3 -10.805 -0.318 -6.558
27 HE22 GLN 3 2HE2 GLN 3 -10.954 -1.148 -5.051
28 H ARG 4 H ARG 4 -7.054 -4.561 -3.957
29 HA ARG 4 HA ARG 4 -4.885 -3.556 -2.225
30 HB2 ARG 4 1HB ARG 4 -5.060 -6.340 -3.406
31 HB3 ARG 4 2HB ARG 4 -3.769 -5.719 -2.384
32 HG2 ARG 4 1HG ARG 4 -5.467 -5.427 -0.559
33 HG3 ARG 4 2HG ARG 4 -6.629 -6.266 -1.593
34 HD2 ARG 4 1HD ARG 4 -4.996 -8.184 -1.690
35 HD3 ARG 4 2HD ARG 4 -4.050 -7.354 -0.454
36 HE ARG 4 HE ARG 4 -6.808 -7.727 0.277
37 HH11 ARG 4 1HH1 ARG 4 -3.603 -9.138 0.314
38 HH12 ARG 4 2HH1 ARG 4 -3.999 -10.321 1.515
39 HH21 ARG 4 1HH2 ARG 4 -7.329 -9.275 1.871
40 HH22 ARG 4 2HH2 ARG 4 -6.116 -10.398 2.408
41 H ARG 5 H ARG 5 -2.732 -3.724 -3.203
42 HA ARG 5 HA ARG 5 -2.645 -3.684 -6.136
43 HB2 ARG 5 1HB ARG 5 -1.612 -1.510 -4.294
44 HB3 ARG 5 2HB ARG 5 -1.034 -1.704 -5.942
45 HG2 ARG 5 1HG ARG 5 -3.887 -1.156 -5.137
46 HG3 ARG 5 2HG ARG 5 -2.744 0.030 -5.773
47 HD2 ARG 5 1HD ARG 5 -2.568 -1.310 -7.849
48 HD3 ARG 5 2HD ARG 5 -3.788 -2.415 -7.212
49 HE ARG 5 HE ARG 5 -4.216 0.379 -8.019
50 HH11 ARG 5 1HH1 ARG 5 -5.503 -2.762 -7.131
51 HH12 ARG 5 2HH1 ARG 5 -7.132 -2.342 -7.564
52 HH21 ARG 5 1HH2 ARG 5 -6.358 0.901 -8.622
53 HH22 ARG 5 2HH2 ARG 5 -7.611 -0.286 -8.417
54 H ARG 6 H ARG 6 -0.470 -4.029 -6.968
55 HA ARG 6 HA ARG 6 1.337 -5.312 -5.012
56 HB2 ARG 6 1HB ARG 6 0.312 -6.863 -6.699
57 HB3 ARG 6 2HB ARG 6 1.092 -5.933 -7.973
58 HG2 ARG 6 1HG ARG 6 3.294 -6.479 -6.926
59 HG3 ARG 6 2HG ARG 6 2.439 -7.538 -5.801
60 HD2 ARG 6 1HD ARG 6 3.306 -8.877 -7.594
61 HD3 ARG 6 2HD ARG 6 1.552 -8.799 -7.760
62 HE ARG 6 HE ARG 6 3.008 -6.814 -9.284
63 HH11 ARG 6 1HH1 ARG 6 1.614 -10.035 -9.318
64 HH12 ARG 6 2HH1 ARG 6 1.533 -10.109 -11.051
65 HH21 ARG 6 1HH2 ARG 6 2.927 -6.938 -11.548
66 HH22 ARG 6 2HH2 ARG 6 2.291 -8.357 -12.320
67 H TYR 7 H TYR 7 3.124 -4.155 -4.679
68 HA TYR 7 HA TYR 7 4.137 -2.418 -6.840
69 HB2 TYR 7 2HB TYR 7 3.327 -1.200 -4.821
70 HB3 TYR 7 1HB TYR 7 4.491 -2.084 -3.842
71 HD1 TYR 7 1HD TYR 7 6.780 -1.380 -3.731
72 HD2 TYR 7 2HD TYR 7 4.144 0.423 -6.547
73 HE1 TYR 7 1HE TYR 7 8.458 0.356 -4.184
74 HE2 TYR 7 2HE TYR 7 5.817 2.164 -7.005
75 HH TYR 7 HH TYR 7 9.053 1.931 -5.955
76 H ARG 8 H ARG 8 6.332 -2.441 -7.265
77 HA ARG 8 HA ARG 8 7.859 -4.612 -5.999
78 HB2 ARG 8 1HB ARG 8 9.050 -4.652 -8.347
79 HB3 ARG 8 2HB ARG 8 7.549 -5.524 -8.086
80 HG2 ARG 8 1HG ARG 8 7.228 -4.487 -10.141
81 HG3 ARG 8 2HG ARG 8 6.386 -3.424 -9.015
82 HD2 ARG 8 1HD ARG 8 7.630 -2.070 -10.542
83 HD3 ARG 8 2HD ARG 8 8.423 -1.980 -8.969
84 HE ARG 8 HE ARG 8 9.387 -3.740 -11.143
85 HH11 ARG 8 1HH1 ARG 8 9.994 -1.449 -8.565
86 HH12 ARG 8 2HH1 ARG 8 11.705 -1.383 -8.846
87 HH21 ARG 8 1HH2 ARG 8 11.653 -3.648 -11.531
88 HH22 ARG 8 2HH2 ARG 8 12.645 -2.628 -10.536
89 H GLY 9 H GLY 9 9.759 -4.107 -5.165
90 HA2 GLY 9 1HA GLY 9 11.741 -2.443 -5.880
91 HA3 GLY 9 2HA GLY 9 10.579 -1.316 -5.185
92 H SER 10 H SER 10 10.945 -0.853 -3.127
93 HA SER 10 HA SER 10 12.254 -2.878 -1.421
94 HB2 SER 10 1HB SER 10 12.246 0.148 -1.190
95 HB3 SER 10 2HB SER 10 12.991 -0.946 -0.026
96 HG SER 10 HG SER 10 14.384 -1.663 -1.656
97 H GLU 11 H GLU 11 11.444 -3.326 0.598
98 HA GLU 11 HA GLU 11 8.728 -3.249 1.098
99 HB2 GLU 11 1HB GLU 11 9.304 -3.744 3.467
100 HB3 GLU 11 2HB GLU 11 10.194 -4.745 2.328
101 HG2 GLU 11 1HG GLU 11 12.164 -3.326 2.603
102 HG3 GLU 11 2HG GLU 11 11.273 -2.293 3.716
103 H GLU 12 H GLU 12 11.208 -0.894 1.940
104 HA GLU 12 HA GLU 12 9.872 0.796 3.622
105 HB2 GLU 12 1HB GLU 12 11.846 1.356 1.402
106 HB3 GLU 12 2HB GLU 12 11.401 2.494 2.637
107 HG2 GLU 12 1HG GLU 12 12.383 1.180 4.357
108 HG3 GLU 12 2HG GLU 12 12.623 -0.169 3.245
109 H GLU 13 H GLU 13 10.109 1.007 0.079
110 HA GLU 13 HA GLU 13 8.401 3.192 -0.283
111 HB2 GLU 13 1HB GLU 13 8.857 0.916 -2.231
112 HB3 GLU 13 2HB GLU 13 8.338 2.550 -2.622
113 HG2 GLU 13 1HG GLU 13 10.508 3.416 -1.886
114 HG3 GLU 13 2HG GLU 13 11.023 1.775 -1.496
115 H CYS 14 H CYS 14 7.801 -0.299 -0.419
116 HA CYS 14 HA CYS 14 5.121 -0.214 -1.206
117 HB2 CYS 14 2HB CYS 14 6.477 -2.297 0.528
118 HB3 CYS 14 1HB CYS 14 5.004 -2.525 -0.412
119 H ARG 15 H ARG 15 6.487 -0.390 2.086
120 HA ARG 15 HA ARG 15 4.007 -0.516 3.436
121 HB2 ARG 15 1HB ARG 15 6.724 0.409 4.407
122 HB3 ARG 15 2HB ARG 15 5.340 0.140 5.455
123 HG2 ARG 15 1HG ARG 15 5.324 -2.219 4.896
124 HG3 ARG 15 2HG ARG 15 6.633 -1.978 3.738
125 HD2 ARG 15 1HD ARG 15 7.512 -2.892 5.804
126 HD3 ARG 15 2HD ARG 15 8.104 -1.248 5.573
127 HE ARG 15 HE ARG 15 5.734 -1.541 7.230
128 HH11 ARG 15 1HH1 ARG 15 9.219 -1.171 7.114
129 HH12 ARG 15 2HH1 ARG 15 9.343 -0.691 8.776
130 HH21 ARG 15 1HH2 ARG 15 5.906 -0.902 9.419
131 HH22 ARG 15 2HH2 ARG 15 7.467 -0.530 10.081
132 H LYS 16 H LYS 16 6.261 2.220 2.964
133 HA LYS 16 HA LYS 16 4.699 4.132 4.287
134 HB2 LYS 16 1HB LYS 16 6.738 4.477 2.079
135 HB3 LYS 16 2HB LYS 16 6.036 5.814 2.983
136 HG2 LYS 16 1HG LYS 16 7.714 3.576 4.121
137 HG3 LYS 16 2HG LYS 16 8.232 5.240 3.854
138 HD2 LYS 16 1HD LYS 16 6.090 4.305 5.779
139 HD3 LYS 16 2HD LYS 16 7.699 4.891 6.203
140 HE2 LYS 16 1HE LYS 16 5.540 6.510 4.839
141 HE3 LYS 16 2HE LYS 16 5.971 6.606 6.545
142 HZ1 LYS 16 1HZ LYS 16 8.093 7.472 5.995
143 HZ2 LYS 16 2HZ LYS 16 6.964 8.357 5.095
144 HZ3 LYS 16 3HZ LYS 16 7.884 7.158 4.349
145 H TYR 17 H TYR 17 4.759 3.194 0.871
146 HA TYR 17 HA TYR 17 2.929 5.134 -0.042
147 HB2 TYR 17 2HB TYR 17 4.322 3.860 -1.594
148 HB3 TYR 17 1HB TYR 17 3.518 2.366 -1.122
149 HD1 TYR 17 1HD TYR 17 1.620 1.634 -2.299
150 HD2 TYR 17 2HD TYR 17 2.849 5.696 -2.670
151 HE1 TYR 17 1HE TYR 17 -0.054 1.971 -4.071
152 HE2 TYR 17 2HE TYR 17 1.180 6.043 -4.444
153 HH TYR 17 HH TYR 17 -0.086 4.750 -6.068
154 H ALA 18 H ALA 18 2.506 1.831 1.166
155 HA ALA 18 HA ALA 18 -0.241 1.558 0.754
156 HB1 ALA 18 1HB ALA 18 1.419 0.377 2.987
157 HB2 ALA 18 2HB ALA 18 1.222 -0.311 1.375
158 HB3 ALA 18 3HB ALA 18 -0.165 -0.192 2.459
159 H GLU 19 H GLU 19 1.462 2.658 3.706
160 HA GLU 19 HA GLU 19 -0.919 3.116 5.152
161 HB2 GLU 19 1HB GLU 19 0.465 4.343 6.765
162 HB3 GLU 19 2HB GLU 19 1.174 2.797 6.327
163 HG2 GLU 19 1HG GLU 19 2.864 3.800 5.048
164 HG3 GLU 19 2HG GLU 19 2.029 5.353 5.004
165 H GLU 20 H GLU 20 1.163 5.329 3.279
166 HA GLU 20 HA GLU 20 -0.153 7.712 3.900
167 HB2 GLU 20 1HB GLU 20 1.773 6.826 1.917
168 HB3 GLU 20 2HB GLU 20 0.611 7.921 1.185
169 HG2 GLU 20 1HG GLU 20 1.105 9.506 3.112
170 HG3 GLU 20 2HG GLU 20 2.466 8.452 3.489
171 H LEU 21 H LEU 21 -0.695 5.510 1.163
172 HA LEU 21 HA LEU 21 -2.848 6.937 0.046
173 HB2 LEU 21 1HB LEU 21 -1.508 5.202 -1.126
174 HB3 LEU 21 2HB LEU 21 -2.264 3.972 -0.128
175 HG LEU 21 HG LEU 21 -4.462 4.519 -1.119
176 HD11 LEU 21 1HD1 LEU 21 -4.040 6.878 -1.633
177 HD12 LEU 21 2HD1 LEU 21 -4.626 5.995 -3.042
178 HD13 LEU 21 3HD1 LEU 21 -2.913 6.399 -2.903
179 HD21 LEU 21 1HD2 LEU 21 -4.033 3.575 -3.334
180 HD22 LEU 21 2HD2 LEU 21 -3.090 2.746 -2.097
181 HD23 LEU 21 3HD2 LEU 21 -2.313 3.922 -3.157
182 H SER 22 H SER 22 -2.704 4.378 2.468
183 HA SER 22 HA SER 22 -5.501 3.881 2.539
184 HB2 SER 22 1HB SER 22 -3.704 2.284 3.302
185 HB3 SER 22 2HB SER 22 -3.490 3.295 4.729
186 HG SER 22 HG SER 22 -6.017 2.880 4.726
187 H ARG 23 H ARG 23 -3.382 6.086 4.328
188 HA ARG 23 HA ARG 23 -5.522 6.847 6.125
189 HB2 ARG 23 1HB ARG 23 -3.961 8.301 7.199
190 HB3 ARG 23 2HB ARG 23 -3.125 6.802 6.848
191 HG2 ARG 23 1HG ARG 23 -1.526 8.334 6.270
192 HG3 ARG 23 2HG ARG 23 -2.314 8.091 4.714
193 HD2 ARG 23 1HD ARG 23 -1.872 10.485 5.262
194 HD3 ARG 23 2HD ARG 23 -3.573 10.126 4.957
195 HE ARG 23 HE ARG 23 -2.998 9.931 7.727
196 HH11 ARG 23 1HH1 ARG 23 -3.414 12.337 5.205
197 HH12 ARG 23 2HH1 ARG 23 -4.011 13.546 6.296
198 HH21 ARG 23 1HH2 ARG 23 -3.780 11.501 9.145
199 HH22 ARG 23 2HH2 ARG 23 -4.226 13.070 8.545
200 H ARG 24 H ARG 24 -4.237 7.877 3.100
201 HA ARG 24 HA ARG 24 -5.324 10.511 3.057
202 HB2 ARG 24 1HB ARG 24 -3.479 9.666 1.575
203 HB3 ARG 24 2HB ARG 24 -4.669 8.706 0.707
204 HG2 ARG 24 1HG ARG 24 -5.842 10.776 0.065
205 HG3 ARG 24 2HG ARG 24 -4.609 11.718 0.907
206 HD2 ARG 24 1HD ARG 24 -4.244 9.957 -1.516
207 HD3 ARG 24 2HD ARG 24 -4.056 11.708 -1.419
208 HE ARG 24 HE ARG 24 -2.279 10.501 0.394
209 HH11 ARG 24 1HH1 ARG 24 -2.724 10.957 -3.055
210 HH12 ARG 24 2HH1 ARG 24 -1.038 10.753 -3.420
211 HH21 ARG 24 1HH2 ARG 24 -0.070 10.220 -0.090
212 HH22 ARG 24 2HH2 ARG 24 0.465 10.321 -1.736
213 H THR 25 H THR 25 -6.340 7.452 1.560
214 HA THR 25 HA THR 25 -9.025 8.506 1.092
215 HB THR 25 HB THR 25 -7.854 5.806 0.358
216 HG1 THR 25 1HG THR 25 -7.981 8.281 -1.029
217 HG21 THR 25 1HG2 THR 25 -10.319 5.831 0.433
218 HG22 THR 25 2HG2 THR 25 -9.729 5.671 -1.220
219 HG23 THR 25 3HG2 THR 25 -10.333 7.225 -0.650
220 H GLY 26 H GLY 26 -10.604 8.160 2.550
221 HA2 GLY 26 1HA GLY 26 -10.127 6.633 4.924
222 HA3 GLY 26 2HA GLY 26 -11.620 7.448 4.488
223 H CYS 27 H CYS 27 -9.691 4.624 3.518
224 HA CYS 27 HA CYS 27 -11.943 2.854 3.742
225 HB2 CYS 27 2HB CYS 27 -10.796 3.554 1.023
226 HB3 CYS 27 1HB CYS 27 -11.712 2.081 1.324
227 H GLU 28 H GLU 28 -10.928 0.706 2.292
228 HA GLU 28 HA GLU 28 -8.401 0.214 3.730
229 HB2 GLU 28 1HB GLU 28 -10.347 -1.103 4.531
230 HB3 GLU 28 2HB GLU 28 -10.529 -1.785 2.922
231 HG2 GLU 28 1HG GLU 28 -8.249 -2.750 3.132
232 HG3 GLU 28 2HG GLU 28 -8.202 -2.169 4.796
233 H VAL 29 H VAL 29 -6.923 0.664 2.220
234 HA VAL 29 HA VAL 29 -6.912 -1.040 -0.182
235 HB VAL 29 HB VAL 29 -7.122 1.285 -0.874
236 HG11 VAL 29 1HG1 VAL 29 -6.217 2.377 1.116
237 HG12 VAL 29 2HG1 VAL 29 -5.427 2.968 -0.345
238 HG13 VAL 29 3HG1 VAL 29 -4.597 1.813 0.698
239 HG21 VAL 29 1HG2 VAL 29 -5.766 -0.178 -2.272
240 HG22 VAL 29 2HG2 VAL 29 -4.327 0.222 -1.335
241 HG23 VAL 29 3HG2 VAL 29 -5.120 1.464 -2.301
242 H GLU 30 H GLU 30 -5.349 -2.488 -0.206
243 HA GLU 30 HA GLU 30 -3.071 -2.160 1.645
244 HB2 GLU 30 1HB GLU 30 -4.625 -4.003 2.239
245 HB3 GLU 30 2HB GLU 30 -4.352 -4.725 0.660
246 HG2 GLU 30 1HG GLU 30 -1.979 -5.024 1.217
247 HG3 GLU 30 2HG GLU 30 -2.270 -4.317 2.805
248 H VAL 31 H VAL 31 -1.024 -2.765 0.922
249 HA VAL 31 HA VAL 31 -0.763 -3.272 -1.970
250 HB VAL 31 HB VAL 31 1.070 -1.550 -0.267
251 HG11 VAL 31 1HG1 VAL 31 2.215 -1.028 -2.375
252 HG12 VAL 31 2HG1 VAL 31 1.170 -2.167 -3.225
253 HG13 VAL 31 3HG1 VAL 31 2.299 -2.751 -2.001
254 HG21 VAL 31 1HG2 VAL 31 -0.850 -0.748 -2.461
255 HG22 VAL 31 2HG2 VAL 31 0.276 0.328 -1.633
256 HG23 VAL 31 3HG2 VAL 31 -1.046 -0.419 -0.738
257 H GLU 32 H GLU 32 0.730 -4.791 -2.550
258 HA GLU 32 HA GLU 32 2.107 -6.221 -0.368
259 HB2 GLU 32 1HB GLU 32 0.316 -7.499 -1.617
260 HB3 GLU 32 2HB GLU 32 1.292 -7.336 -3.071
261 HG2 GLU 32 1HG GLU 32 1.570 -9.522 -1.995
262 HG3 GLU 32 2HG GLU 32 3.080 -8.612 -2.066
263 H CYS 33 H CYS 33 4.272 -6.959 -0.828
264 HA CYS 33 HA CYS 33 5.581 -5.071 -2.684
265 HB2 CYS 33 2HB CYS 33 5.791 -4.750 -0.136
266 HB3 CYS 33 1HB CYS 33 6.855 -6.151 -0.175
267 H GLU 34 H GLU 34 6.758 -5.886 -4.238
268 HA GLU 34 HA GLU 34 7.872 -8.609 -3.995
269 HB2 GLU 34 1HB GLU 34 7.203 -7.044 -6.507
270 HB3 GLU 34 2HB GLU 34 7.873 -8.669 -6.460
271 HG2 GLU 34 1HG GLU 34 5.194 -7.924 -5.305
272 HG3 GLU 34 2HG GLU 34 5.428 -8.527 -6.943
273 H THR 35 H THR 35 9.986 -8.899 -5.113
274 HA THR 35 HA THR 35 11.648 -6.473 -4.904
275 HB THR 35 HB THR 35 13.553 -8.267 -4.989
276 HG1 THR 35 1HG THR 35 12.120 -10.028 -5.472
277 HG21 THR 35 1HG2 THR 35 11.775 -7.991 -2.559
278 HG22 THR 35 2HG2 THR 35 13.078 -6.896 -3.021
279 HG23 THR 35 3HG2 THR 35 13.444 -8.556 -2.549
Start of MODEL 7
1 H1 CYS 1 1H CYS 1 -15.092 -0.859 1.591
2 H2 CYS 1 2H CYS 1 -15.774 0.606 1.108
3 H3 CYS 1 3H CYS 1 -14.537 0.590 2.258
4 HA CYS 1 HA CYS 1 -14.309 -0.177 -0.584
5 HB2 CYS 1 2HB CYS 1 -14.459 2.232 -0.237
6 HB3 CYS 1 1HB CYS 1 -13.179 2.159 0.961
7 H LYS 2 H LYS 2 -13.186 -1.998 -0.510
8 HA LYS 2 HA LYS 2 -10.598 -2.007 0.914
9 HB2 LYS 2 1HB LYS 2 -12.493 -4.308 0.381
10 HB3 LYS 2 2HB LYS 2 -10.817 -4.543 0.852
11 HG2 LYS 2 1HG LYS 2 -11.228 -3.400 2.963
12 HG3 LYS 2 2HG LYS 2 -12.901 -3.097 2.486
13 HD2 LYS 2 1HD LYS 2 -12.781 -5.016 3.990
14 HD3 LYS 2 2HD LYS 2 -13.310 -5.522 2.385
15 HE2 LYS 2 1HE LYS 2 -11.728 -7.131 3.179
16 HE3 LYS 2 2HE LYS 2 -10.948 -6.202 1.901
17 HZ1 LYS 2 1HZ LYS 2 -10.553 -5.888 4.825
18 HZ2 LYS 2 2HZ LYS 2 -9.897 -4.846 3.676
19 HZ3 LYS 2 3HZ LYS 2 -9.427 -6.471 3.712
20 H GLN 3 H GLN 3 -8.930 -1.961 -0.427
21 HA GLN 3 HA GLN 3 -9.181 -3.230 -3.079
22 HB2 GLN 3 1HB GLN 3 -7.721 -0.658 -2.404
23 HB3 GLN 3 2HB GLN 3 -7.647 -1.475 -3.958
24 HG2 GLN 3 1HG GLN 3 -10.064 -1.115 -4.246
25 HG3 GLN 3 2HG GLN 3 -10.104 -0.257 -2.706
26 HE21 GLN 3 1HE2 GLN 3 -9.739 2.049 -5.688
27 HE22 GLN 3 2HE2 GLN 3 -10.749 0.668 -5.413
28 H ARG 4 H ARG 4 -7.345 -4.312 -3.817
29 HA ARG 4 HA ARG 4 -5.013 -4.322 -2.037
30 HB2 ARG 4 1HB ARG 4 -4.801 -6.709 -2.110
31 HB3 ARG 4 2HB ARG 4 -6.422 -6.325 -1.554
32 HG2 ARG 4 1HG ARG 4 -7.082 -6.648 -4.046
33 HG3 ARG 4 2HG ARG 4 -5.543 -7.504 -4.161
34 HD2 ARG 4 1HD ARG 4 -7.943 -8.170 -2.472
35 HD3 ARG 4 2HD ARG 4 -7.159 -9.160 -3.699
36 HE ARG 4 HE ARG 4 -5.547 -8.517 -1.361
37 HH11 ARG 4 1HH1 ARG 4 -7.598 -10.849 -2.977
38 HH12 ARG 4 2HH1 ARG 4 -7.146 -12.157 -1.933
39 HH21 ARG 4 1HH2 ARG 4 -4.949 -10.236 0.014
40 HH22 ARG 4 2HH2 ARG 4 -5.639 -11.812 -0.232
41 H ARG 5 H ARG 5 -3.091 -4.247 -3.093
42 HA ARG 5 HA ARG 5 -3.210 -4.252 -6.038
43 HB2 ARG 5 1HB ARG 5 -1.893 -2.118 -4.339
44 HB3 ARG 5 2HB ARG 5 -1.906 -2.175 -6.098
45 HG2 ARG 5 1HG ARG 5 -4.367 -1.933 -6.063
46 HG3 ARG 5 2HG ARG 5 -4.313 -1.817 -4.305
47 HD2 ARG 5 1HD ARG 5 -2.858 0.190 -4.535
48 HD3 ARG 5 2HD ARG 5 -3.066 0.098 -6.284
49 HE ARG 5 HE ARG 5 -5.505 0.226 -4.720
50 HH11 ARG 5 1HH1 ARG 5 -3.123 2.006 -6.579
51 HH12 ARG 5 2HH1 ARG 5 -4.153 3.381 -6.809
52 HH21 ARG 5 1HH2 ARG 5 -6.867 2.025 -5.029
53 HH22 ARG 5 2HH2 ARG 5 -6.298 3.388 -5.936
54 H ARG 6 H ARG 6 -0.867 -3.821 -6.886
55 HA ARG 6 HA ARG 6 1.057 -5.473 -5.427
56 HB2 ARG 6 1HB ARG 6 1.635 -6.663 -7.544
57 HB3 ARG 6 2HB ARG 6 0.027 -7.036 -6.952
58 HG2 ARG 6 1HG ARG 6 0.602 -5.074 -9.174
59 HG3 ARG 6 2HG ARG 6 0.180 -6.768 -9.422
60 HD2 ARG 6 1HD ARG 6 -1.939 -6.291 -8.102
61 HD3 ARG 6 2HD ARG 6 -1.529 -4.583 -8.225
62 HE ARG 6 HE ARG 6 -2.314 -6.363 -10.424
63 HH11 ARG 6 1HH1 ARG 6 -1.483 -3.123 -9.349
64 HH12 ARG 6 2HH1 ARG 6 -2.224 -2.353 -10.712
65 HH21 ARG 6 1HH2 ARG 6 -3.301 -5.344 -12.197
66 HH22 ARG 6 2HH2 ARG 6 -3.262 -3.613 -12.333
67 H TYR 7 H TYR 7 2.967 -4.533 -5.354
68 HA TYR 7 HA TYR 7 3.689 -2.486 -7.338
69 HB2 TYR 7 2HB TYR 7 2.605 -1.332 -5.446
70 HB3 TYR 7 1HB TYR 7 3.682 -2.139 -4.320
71 HD1 TYR 7 1HD TYR 7 5.988 -1.402 -4.054
72 HD2 TYR 7 2HD TYR 7 3.386 0.541 -6.805
73 HE1 TYR 7 1HE TYR 7 7.547 0.491 -4.185
74 HE2 TYR 7 2HE TYR 7 4.944 2.437 -6.943
75 HH TYR 7 HH TYR 7 6.746 3.446 -5.371
76 H ARG 8 H ARG 8 5.929 -2.306 -7.662
77 HA ARG 8 HA ARG 8 7.538 -4.246 -6.140
78 HB2 ARG 8 1HB ARG 8 9.039 -4.330 -8.177
79 HB3 ARG 8 2HB ARG 8 7.463 -5.079 -8.331
80 HG2 ARG 8 1HG ARG 8 7.633 -3.999 -10.336
81 HG3 ARG 8 2HG ARG 8 6.777 -2.788 -9.381
82 HD2 ARG 8 1HD ARG 8 8.822 -1.564 -9.019
83 HD3 ARG 8 2HD ARG 8 9.769 -2.830 -9.800
84 HE ARG 8 HE ARG 8 7.784 -1.841 -11.561
85 HH11 ARG 8 1HH1 ARG 8 10.878 -1.025 -10.154
86 HH12 ARG 8 2HH1 ARG 8 11.339 0.026 -11.454
87 HH21 ARG 8 1HH2 ARG 8 8.397 -0.467 -13.287
88 HH22 ARG 8 2HH2 ARG 8 9.932 0.339 -13.236
89 H GLY 9 H GLY 9 9.107 -3.540 -4.963
90 HA2 GLY 9 1HA GLY 9 10.966 -1.588 -5.331
91 HA3 GLY 9 2HA GLY 9 9.573 -0.720 -4.687
92 H SER 10 H SER 10 11.519 -0.472 -3.040
93 HA SER 10 HA SER 10 12.112 -2.639 -1.330
94 HB2 SER 10 1HB SER 10 12.294 0.324 -0.740
95 HB3 SER 10 2HB SER 10 13.117 -0.963 0.138
96 HG SER 10 HG SER 10 14.419 0.120 -1.477
97 H GLU 11 H GLU 11 11.444 -3.053 0.791
98 HA GLU 11 HA GLU 11 8.693 -3.205 1.108
99 HB2 GLU 11 1HB GLU 11 10.812 -3.402 3.260
100 HB3 GLU 11 2HB GLU 11 9.150 -3.956 3.408
101 HG2 GLU 11 1HG GLU 11 9.552 -5.565 1.584
102 HG3 GLU 11 2HG GLU 11 11.236 -5.043 1.523
103 H GLU 12 H GLU 12 10.996 -1.000 2.726
104 HA GLU 12 HA GLU 12 9.177 0.205 4.450
105 HB2 GLU 12 1HB GLU 12 11.506 0.635 4.786
106 HB3 GLU 12 2HB GLU 12 11.671 1.347 3.183
107 HG2 GLU 12 1HG GLU 12 10.320 3.240 3.823
108 HG3 GLU 12 2HG GLU 12 9.961 2.506 5.383
109 H GLU 13 H GLU 13 10.247 1.499 1.290
110 HA GLU 13 HA GLU 13 8.453 3.655 1.295
111 HB2 GLU 13 1HB GLU 13 8.771 3.156 -1.409
112 HB3 GLU 13 2HB GLU 13 9.806 4.172 -0.423
113 HG2 GLU 13 1HG GLU 13 10.343 1.237 -0.717
114 HG3 GLU 13 2HG GLU 13 10.880 2.396 -1.932
115 H CYS 14 H CYS 14 8.070 0.339 0.142
116 HA CYS 14 HA CYS 14 5.548 0.711 -1.080
117 HB2 CYS 14 2HB CYS 14 6.982 -1.275 -1.428
118 HB3 CYS 14 1HB CYS 14 6.652 -1.787 0.221
119 H ARG 15 H ARG 15 6.437 -0.179 2.249
120 HA ARG 15 HA ARG 15 3.817 -0.490 3.242
121 HB2 ARG 15 1HB ARG 15 6.530 -0.115 4.407
122 HB3 ARG 15 2HB ARG 15 5.173 0.283 5.449
123 HG2 ARG 15 1HG ARG 15 5.976 -2.009 5.762
124 HG3 ARG 15 2HG ARG 15 4.294 -1.943 5.254
125 HD2 ARG 15 1HD ARG 15 4.900 -2.577 3.006
126 HD3 ARG 15 2HD ARG 15 6.617 -2.482 3.400
127 HE ARG 15 HE ARG 15 5.653 -4.288 5.183
128 HH11 ARG 15 1HH1 ARG 15 5.434 -4.070 1.686
129 HH12 ARG 15 2HH1 ARG 15 5.432 -5.791 1.457
130 HH21 ARG 15 1HH2 ARG 15 5.665 -6.539 4.871
131 HH22 ARG 15 2HH2 ARG 15 5.556 -7.191 3.265
132 H LYS 16 H LYS 16 6.037 2.284 3.263
133 HA LYS 16 HA LYS 16 4.264 4.086 4.510
134 HB2 LYS 16 1HB LYS 16 6.759 4.389 2.876
135 HB3 LYS 16 2HB LYS 16 5.788 5.816 3.211
136 HG2 LYS 16 1HG LYS 16 7.579 5.607 4.828
137 HG3 LYS 16 2HG LYS 16 6.013 5.421 5.615
138 HD2 LYS 16 1HD LYS 16 6.319 2.963 5.570
139 HD3 LYS 16 2HD LYS 16 7.916 3.193 4.857
140 HE2 LYS 16 1HE LYS 16 7.030 4.231 7.553
141 HE3 LYS 16 2HE LYS 16 8.022 2.801 7.288
142 HZ1 LYS 16 1HZ LYS 16 9.748 4.194 6.354
143 HZ2 LYS 16 2HZ LYS 16 9.339 4.750 7.895
144 HZ3 LYS 16 3HZ LYS 16 8.783 5.574 6.528
145 H TYR 17 H TYR 17 4.631 3.029 1.208
146 HA TYR 17 HA TYR 17 2.960 4.920 -0.039
147 HB2 TYR 17 2HB TYR 17 4.338 3.433 -1.373
148 HB3 TYR 17 1HB TYR 17 3.525 2.019 -0.716
149 HD1 TYR 17 1HD TYR 17 1.740 1.075 -1.884
150 HD2 TYR 17 2HD TYR 17 2.849 5.101 -2.725
151 HE1 TYR 17 1HE TYR 17 0.157 1.113 -3.763
152 HE2 TYR 17 2HE TYR 17 1.265 5.147 -4.608
153 HH TYR 17 HH TYR 17 0.135 3.598 -6.110
154 H ALA 18 H ALA 18 2.252 1.679 1.291
155 HA ALA 18 HA ALA 18 -0.529 1.723 0.992
156 HB1 ALA 18 1HB ALA 18 1.065 0.407 3.199
157 HB2 ALA 18 2HB ALA 18 0.757 -0.282 1.607
158 HB3 ALA 18 3HB ALA 18 -0.583 0.000 2.718
159 H GLU 19 H GLU 19 1.508 2.895 3.628
160 HA GLU 19 HA GLU 19 -0.457 3.597 5.475
161 HB2 GLU 19 1HB GLU 19 1.933 3.526 6.013
162 HB3 GLU 19 2HB GLU 19 2.236 4.887 4.941
163 HG2 GLU 19 1HG GLU 19 0.798 6.295 6.404
164 HG3 GLU 19 2HG GLU 19 0.639 4.925 7.502
165 H GLU 20 H GLU 20 1.249 5.800 3.215
166 HA GLU 20 HA GLU 20 -0.226 8.026 3.636
167 HB2 GLU 20 1HB GLU 20 2.012 7.728 2.550
168 HB3 GLU 20 2HB GLU 20 1.184 7.087 1.130
169 HG2 GLU 20 1HG GLU 20 -0.058 9.134 0.987
170 HG3 GLU 20 2HG GLU 20 0.861 9.779 2.331
171 H LEU 21 H LEU 21 -0.642 5.366 1.363
172 HA LEU 21 HA LEU 21 -2.660 6.479 -0.234
173 HB2 LEU 21 1HB LEU 21 -1.309 4.539 -0.879
174 HB3 LEU 21 2HB LEU 21 -2.035 3.587 0.400
175 HG LEU 21 HG LEU 21 -4.186 3.617 -0.738
176 HD11 LEU 21 1HD1 LEU 21 -2.816 5.305 -2.835
177 HD12 LEU 21 2HD1 LEU 21 -4.075 5.843 -1.722
178 HD13 LEU 21 3HD1 LEU 21 -4.444 4.634 -2.952
179 HD21 LEU 21 1HD2 LEU 21 -1.963 2.901 -2.664
180 HD22 LEU 21 2HD2 LEU 21 -3.605 2.259 -2.667
181 HD23 LEU 21 3HD2 LEU 21 -2.515 1.885 -1.333
182 H SER 22 H SER 22 -2.874 4.282 2.561
183 HA SER 22 HA SER 22 -5.711 4.109 2.498
184 HB2 SER 22 1HB SER 22 -4.206 2.371 3.479
185 HB3 SER 22 2HB SER 22 -3.847 3.474 4.805
186 HG SER 22 HG SER 22 -6.539 3.059 4.304
187 H ARG 23 H ARG 23 -3.439 6.221 4.196
188 HA ARG 23 HA ARG 23 -5.485 7.287 5.934
189 HB2 ARG 23 1HB ARG 23 -3.807 8.728 6.833
190 HB3 ARG 23 2HB ARG 23 -3.055 7.161 6.576
191 HG2 ARG 23 1HG ARG 23 -2.039 8.012 4.499
192 HG3 ARG 23 2HG ARG 23 -2.762 9.591 4.811
193 HD2 ARG 23 1HD ARG 23 -0.752 8.167 6.564
194 HD3 ARG 23 2HD ARG 23 -0.420 9.539 5.509
195 HE ARG 23 HE ARG 23 -2.471 10.239 7.306
196 HH11 ARG 23 1HH1 ARG 23 0.978 9.615 7.265
197 HH12 ARG 23 2HH1 ARG 23 1.302 10.586 8.663
198 HH21 ARG 23 1HH2 ARG 23 -2.041 11.530 9.151
199 HH22 ARG 23 2HH2 ARG 23 -0.415 11.678 9.736
200 H ARG 24 H ARG 24 -4.085 8.133 2.830
201 HA ARG 24 HA ARG 24 -5.152 10.810 2.820
202 HB2 ARG 24 1HB ARG 24 -3.127 10.271 1.545
203 HB3 ARG 24 2HB ARG 24 -4.034 9.128 0.563
204 HG2 ARG 24 1HG ARG 24 -5.338 10.898 -0.404
205 HG3 ARG 24 2HG ARG 24 -4.622 12.080 0.692
206 HD2 ARG 24 1HD ARG 24 -3.612 12.252 -1.505
207 HD3 ARG 24 2HD ARG 24 -2.424 11.681 -0.333
208 HE ARG 24 HE ARG 24 -3.819 9.893 -2.236
209 HH11 ARG 24 1HH1 ARG 24 -0.951 10.857 -0.488
210 HH12 ARG 24 2HH1 ARG 24 0.062 9.654 -1.224
211 HH21 ARG 24 1HH2 ARG 24 -2.495 8.319 -3.229
212 HH22 ARG 24 2HH2 ARG 24 -0.813 8.212 -2.793
213 H THR 25 H THR 25 -5.897 7.842 0.985
214 HA THR 25 HA THR 25 -8.486 8.957 0.213
215 HB THR 25 HB THR 25 -7.223 6.297 -0.525
216 HG1 THR 25 1HG THR 25 -7.063 8.886 -1.625
217 HG21 THR 25 1HG2 THR 25 -8.866 6.275 -2.350
218 HG22 THR 25 2HG2 THR 25 -9.554 7.790 -1.763
219 HG23 THR 25 3HG2 THR 25 -9.673 6.328 -0.783
220 H GLY 26 H GLY 26 -10.350 8.409 1.208
221 HA2 GLY 26 1HA GLY 26 -10.386 6.901 3.598
222 HA3 GLY 26 2HA GLY 26 -11.796 7.465 2.710
223 H CYS 27 H CYS 27 -9.315 4.948 2.702
224 HA CYS 27 HA CYS 27 -11.293 2.911 2.192
225 HB2 CYS 27 2HB CYS 27 -9.113 3.530 0.182
226 HB3 CYS 27 1HB CYS 27 -9.935 1.976 0.250
227 H GLU 28 H GLU 28 -10.200 0.734 2.147
228 HA GLU 28 HA GLU 28 -7.764 0.705 3.813
229 HB2 GLU 28 1HB GLU 28 -9.633 -0.312 4.969
230 HB3 GLU 28 2HB GLU 28 -10.036 -1.282 3.559
231 HG2 GLU 28 1HG GLU 28 -7.921 -2.508 3.809
232 HG3 GLU 28 2HG GLU 28 -7.538 -1.538 5.229
233 H VAL 29 H VAL 29 -5.980 -0.161 2.881
234 HA VAL 29 HA VAL 29 -6.362 -1.635 0.363
235 HB VAL 29 HB VAL 29 -5.736 0.669 -0.171
236 HG11 VAL 29 1HG1 VAL 29 -3.541 1.572 0.456
237 HG12 VAL 29 2HG1 VAL 29 -3.243 0.151 1.456
238 HG13 VAL 29 3HG1 VAL 29 -4.550 1.263 1.868
239 HG21 VAL 29 1HG2 VAL 29 -3.813 0.190 -1.610
240 HG22 VAL 29 2HG2 VAL 29 -4.974 -1.136 -1.639
241 HG23 VAL 29 3HG2 VAL 29 -3.489 -1.284 -0.701
242 H GLU 30 H GLU 30 -5.249 -3.422 0.137
243 HA GLU 30 HA GLU 30 -2.923 -3.938 1.876
244 HB2 GLU 30 1HB GLU 30 -4.683 -5.577 2.246
245 HB3 GLU 30 2HB GLU 30 -4.839 -5.861 0.516
246 HG2 GLU 30 1HG GLU 30 -2.511 -6.742 0.508
247 HG3 GLU 30 2HG GLU 30 -2.485 -6.572 2.264
248 H VAL 31 H VAL 31 -1.127 -3.458 0.743
249 HA VAL 31 HA VAL 31 -1.100 -4.125 -2.131
250 HB VAL 31 HB VAL 31 -0.944 -1.705 -1.742
251 HG11 VAL 31 1HG1 VAL 31 0.922 -0.681 -0.609
252 HG12 VAL 31 2HG1 VAL 31 1.618 -2.263 -0.249
253 HG13 VAL 31 3HG1 VAL 31 0.090 -1.781 0.489
254 HG21 VAL 31 1HG2 VAL 31 1.028 -1.241 -3.079
255 HG22 VAL 31 2HG2 VAL 31 0.221 -2.691 -3.670
256 HG23 VAL 31 3HG2 VAL 31 1.690 -2.836 -2.705
257 H GLU 32 H GLU 32 0.564 -5.324 -2.901
258 HA GLU 32 HA GLU 32 2.277 -6.562 -0.837
259 HB2 GLU 32 1HB GLU 32 0.385 -7.893 -2.016
260 HB3 GLU 32 2HB GLU 32 1.437 -7.883 -3.421
261 HG2 GLU 32 1HG GLU 32 2.447 -8.884 -0.783
262 HG3 GLU 32 2HG GLU 32 1.439 -9.910 -1.795
263 H CYS 33 H CYS 33 4.456 -6.870 -1.318
264 HA CYS 33 HA CYS 33 5.351 -4.980 -3.398
265 HB2 CYS 33 2HB CYS 33 6.849 -5.481 -0.838
266 HB3 CYS 33 1HB CYS 33 6.886 -4.065 -1.887
267 H GLU 34 H GLU 34 6.559 -5.823 -4.915
268 HA GLU 34 HA GLU 34 8.224 -8.190 -4.345
269 HB2 GLU 34 1HB GLU 34 7.143 -7.255 -7.024
270 HB3 GLU 34 2HB GLU 34 8.045 -8.736 -6.724
271 HG2 GLU 34 1HG GLU 34 6.218 -9.552 -5.306
272 HG3 GLU 34 2HG GLU 34 5.309 -8.080 -5.640
273 H THR 35 H THR 35 10.157 -8.237 -5.990
274 HA THR 35 HA THR 35 11.255 -5.540 -6.365
275 HB THR 35 HB THR 35 13.505 -6.520 -5.526
276 HG1 THR 35 1HG THR 35 11.636 -8.429 -4.587
277 HG21 THR 35 1HG2 THR 35 11.298 -5.984 -3.525
278 HG22 THR 35 2HG2 THR 35 12.267 -4.755 -4.342
279 HG23 THR 35 3HG2 THR 35 13.031 -5.876 -3.215
Start of MODEL 8
1 H1 CYS 1 1H CYS 1 -15.409 -0.823 1.392
2 H2 CYS 1 2H CYS 1 -16.203 0.378 0.503
3 H3 CYS 1 3H CYS 1 -14.842 0.769 1.427
4 HA CYS 1 HA CYS 1 -14.889 -0.991 -0.951
5 HB2 CYS 1 2HB CYS 1 -13.279 0.963 -1.722
6 HB3 CYS 1 1HB CYS 1 -15.023 1.134 -1.864
7 H LYS 2 H LYS 2 -13.347 -2.494 -0.907
8 HA LYS 2 HA LYS 2 -10.871 -1.967 0.620
9 HB2 LYS 2 1HB LYS 2 -12.314 -4.616 0.300
10 HB3 LYS 2 2HB LYS 2 -10.756 -4.397 1.087
11 HG2 LYS 2 1HG LYS 2 -11.856 -2.929 2.757
12 HG3 LYS 2 2HG LYS 2 -13.407 -3.291 1.997
13 HD2 LYS 2 1HD LYS 2 -13.078 -5.680 2.478
14 HD3 LYS 2 2HD LYS 2 -11.535 -5.308 3.251
15 HE2 LYS 2 1HE LYS 2 -12.720 -3.921 4.907
16 HE3 LYS 2 2HE LYS 2 -14.256 -4.331 4.139
17 HZ1 LYS 2 1HZ LYS 2 -12.384 -6.256 5.413
18 HZ2 LYS 2 2HZ LYS 2 -13.854 -6.654 4.681
19 HZ3 LYS 2 3HZ LYS 2 -13.836 -5.700 6.079
20 H GLN 3 H GLN 3 -8.942 -2.699 -0.307
21 HA GLN 3 HA GLN 3 -8.949 -4.187 -2.774
22 HB2 GLN 3 1HB GLN 3 -9.518 -1.928 -3.591
23 HB3 GLN 3 2HB GLN 3 -8.078 -1.283 -2.817
24 HG2 GLN 3 1HG GLN 3 -6.668 -2.628 -4.290
25 HG3 GLN 3 2HG GLN 3 -8.102 -3.315 -5.047
26 HE21 GLN 3 1HE2 GLN 3 -8.727 -0.572 -7.113
27 HE22 GLN 3 2HE2 GLN 3 -9.316 -2.055 -6.449
28 H ARG 4 H ARG 4 -6.916 -4.951 -3.342
29 HA ARG 4 HA ARG 4 -4.669 -4.138 -1.613
30 HB2 ARG 4 1HB ARG 4 -3.753 -6.400 -1.775
31 HB3 ARG 4 2HB ARG 4 -5.353 -6.430 -1.046
32 HG2 ARG 4 1HG ARG 4 -6.339 -7.303 -3.027
33 HG3 ARG 4 2HG ARG 4 -4.869 -7.016 -3.963
34 HD2 ARG 4 1HD ARG 4 -3.683 -8.680 -2.611
35 HD3 ARG 4 2HD ARG 4 -5.142 -8.954 -1.659
36 HE ARG 4 HE ARG 4 -6.176 -9.699 -3.821
37 HH11 ARG 4 1HH1 ARG 4 -2.702 -9.861 -3.364
38 HH12 ARG 4 2HH1 ARG 4 -2.514 -11.249 -4.390
39 HH21 ARG 4 1HH2 ARG 4 -5.913 -11.520 -5.180
40 HH22 ARG 4 2HH2 ARG 4 -4.324 -12.177 -5.430
41 H ARG 5 H ARG 5 -2.998 -3.337 -2.663
42 HA ARG 5 HA ARG 5 -2.793 -3.766 -5.568
43 HB2 ARG 5 1HB ARG 5 -1.682 -1.432 -4.020
44 HB3 ARG 5 2HB ARG 5 -1.785 -1.611 -5.769
45 HG2 ARG 5 1HG ARG 5 -4.326 -1.736 -5.419
46 HG3 ARG 5 2HG ARG 5 -3.995 -1.110 -3.803
47 HD2 ARG 5 1HD ARG 5 -4.312 0.859 -4.900
48 HD3 ARG 5 2HD ARG 5 -2.584 0.653 -5.172
49 HE ARG 5 HE ARG 5 -4.276 -0.469 -7.228
50 HH11 ARG 5 1HH1 ARG 5 -2.442 2.332 -6.186
51 HH12 ARG 5 2HH1 ARG 5 -2.426 3.055 -7.763
52 HH21 ARG 5 1HH2 ARG 5 -4.246 0.483 -9.294
53 HH22 ARG 5 2HH2 ARG 5 -3.444 2.005 -9.530
54 H ARG 6 H ARG 6 -0.365 -3.399 -6.271
55 HA ARG 6 HA ARG 6 1.490 -4.275 -4.216
56 HB2 ARG 6 1HB ARG 6 2.464 -5.998 -5.814
57 HB3 ARG 6 2HB ARG 6 0.951 -6.406 -5.024
58 HG2 ARG 6 1HG ARG 6 -0.270 -5.803 -7.077
59 HG3 ARG 6 2HG ARG 6 1.272 -5.453 -7.866
60 HD2 ARG 6 1HD ARG 6 0.349 -7.733 -8.361
61 HD3 ARG 6 2HD ARG 6 1.974 -7.733 -7.673
62 HE ARG 6 HE ARG 6 -0.089 -7.997 -5.689
63 HH11 ARG 6 1HH1 ARG 6 1.810 -9.799 -8.025
64 HH12 ARG 6 2HH1 ARG 6 1.723 -11.282 -7.131
65 HH21 ARG 6 1HH2 ARG 6 -0.210 -9.948 -4.533
66 HH22 ARG 6 2HH2 ARG 6 0.576 -11.370 -5.157
67 H TYR 7 H TYR 7 3.370 -3.389 -4.340
68 HA TYR 7 HA TYR 7 4.046 -1.726 -6.686
69 HB2 TYR 7 2HB TYR 7 3.472 -0.515 -4.550
70 HB3 TYR 7 1HB TYR 7 4.818 -1.335 -3.771
71 HD1 TYR 7 1HD TYR 7 7.073 -0.551 -4.067
72 HD2 TYR 7 2HD TYR 7 3.894 1.161 -6.321
73 HE1 TYR 7 1HE TYR 7 8.556 1.289 -4.751
74 HE2 TYR 7 2HE TYR 7 5.369 3.002 -7.016
75 HH TYR 7 HH TYR 7 7.402 4.133 -6.211
76 H ARG 8 H ARG 8 6.367 -1.639 -7.198
77 HA ARG 8 HA ARG 8 7.790 -4.027 -6.193
78 HB2 ARG 8 1HB ARG 8 8.073 -2.661 -8.879
79 HB3 ARG 8 2HB ARG 8 9.057 -4.008 -8.323
80 HG2 ARG 8 1HG ARG 8 6.879 -5.307 -8.092
81 HG3 ARG 8 2HG ARG 8 6.131 -4.003 -9.016
82 HD2 ARG 8 1HD ARG 8 8.386 -5.810 -9.890
83 HD3 ARG 8 2HD ARG 8 6.745 -5.768 -10.533
84 HE ARG 8 HE ARG 8 7.320 -3.441 -11.293
85 HH11 ARG 8 1HH1 ARG 8 9.821 -5.872 -10.852
86 HH12 ARG 8 2HH1 ARG 8 10.886 -5.155 -12.019
87 HH21 ARG 8 1HH2 ARG 8 8.737 -2.487 -12.786
88 HH22 ARG 8 2HH2 ARG 8 10.278 -3.220 -13.107
89 H GLY 9 H GLY 9 9.510 -3.677 -5.007
90 HA2 GLY 9 1HA GLY 9 11.676 -2.120 -5.368
91 HA3 GLY 9 2HA GLY 9 10.528 -0.967 -4.698
92 H SER 10 H SER 10 11.951 -0.751 -2.869
93 HA SER 10 HA SER 10 12.520 -2.937 -1.139
94 HB2 SER 10 1HB SER 10 12.421 0.026 -0.479
95 HB3 SER 10 2HB SER 10 13.243 -1.229 0.453
96 HG SER 10 HG SER 10 13.965 -0.028 -1.959
97 H GLU 11 H GLU 11 11.405 -3.716 0.592
98 HA GLU 11 HA GLU 11 8.666 -3.671 0.692
99 HB2 GLU 11 1HB GLU 11 8.824 -4.711 2.882
100 HB3 GLU 11 2HB GLU 11 10.056 -5.366 1.817
101 HG2 GLU 11 1HG GLU 11 10.499 -3.296 3.968
102 HG3 GLU 11 2HG GLU 11 10.898 -5.007 4.080
103 H GLU 12 H GLU 12 10.936 -1.563 2.326
104 HA GLU 12 HA GLU 12 9.173 -0.231 4.049
105 HB2 GLU 12 1HB GLU 12 11.643 -0.089 4.173
106 HB3 GLU 12 2HB GLU 12 11.653 0.841 2.679
107 HG2 GLU 12 1HG GLU 12 10.420 2.637 3.765
108 HG3 GLU 12 2HG GLU 12 10.345 1.700 5.258
109 H GLU 13 H GLU 13 10.228 0.566 0.746
110 HA GLU 13 HA GLU 13 8.731 2.927 0.445
111 HB2 GLU 13 1HB GLU 13 9.617 0.950 -1.684
112 HB3 GLU 13 2HB GLU 13 9.068 2.595 -1.986
113 HG2 GLU 13 1HG GLU 13 11.531 1.798 -0.441
114 HG3 GLU 13 2HG GLU 13 11.487 2.451 -2.079
115 H CYS 14 H CYS 14 7.997 -0.440 -0.315
116 HA CYS 14 HA CYS 14 5.504 -0.100 -1.516
117 HB2 CYS 14 2HB CYS 14 6.489 -2.379 0.227
118 HB3 CYS 14 1HB CYS 14 5.097 -2.455 -0.855
119 H ARG 15 H ARG 15 6.349 -0.527 1.917
120 HA ARG 15 HA ARG 15 3.618 -0.367 2.769
121 HB2 ARG 15 1HB ARG 15 6.245 -0.485 4.232
122 HB3 ARG 15 2HB ARG 15 4.750 -0.138 5.097
123 HG2 ARG 15 1HG ARG 15 5.247 -2.591 3.406
124 HG3 ARG 15 2HG ARG 15 5.338 -2.526 5.169
125 HD2 ARG 15 1HD ARG 15 3.004 -2.035 5.349
126 HD3 ARG 15 2HD ARG 15 2.862 -1.778 3.612
127 HE ARG 15 HE ARG 15 3.696 -4.364 3.838
128 HH11 ARG 15 1HH1 ARG 15 1.015 -2.555 5.185
129 HH12 ARG 15 2HH1 ARG 15 -0.057 -3.918 5.205
130 HH21 ARG 15 1HH2 ARG 15 2.274 -6.144 3.817
131 HH22 ARG 15 2HH2 ARG 15 0.644 -5.951 4.392
132 H LYS 16 H LYS 16 6.191 1.967 2.310
133 HA LYS 16 HA LYS 16 5.039 4.125 3.707
134 HB2 LYS 16 1HB LYS 16 6.753 4.033 1.216
135 HB3 LYS 16 2HB LYS 16 6.196 5.550 1.907
136 HG2 LYS 16 1HG LYS 16 7.369 5.037 3.993
137 HG3 LYS 16 2HG LYS 16 7.918 3.507 3.307
138 HD2 LYS 16 1HD LYS 16 9.186 4.674 1.607
139 HD3 LYS 16 2HD LYS 16 8.553 6.227 2.152
140 HE2 LYS 16 1HE LYS 16 9.713 6.006 4.266
141 HE3 LYS 16 2HE LYS 16 10.252 4.382 3.839
142 HZ1 LYS 16 1HZ LYS 16 10.992 6.845 2.355
143 HZ2 LYS 16 2HZ LYS 16 11.584 5.286 2.078
144 HZ3 LYS 16 3HZ LYS 16 11.968 6.094 3.515
145 H TYR 17 H TYR 17 4.726 3.131 0.318
146 HA TYR 17 HA TYR 17 2.727 4.925 -0.454
147 HB2 TYR 17 2HB TYR 17 3.956 3.632 -2.094
148 HB3 TYR 17 1HB TYR 17 3.339 2.123 -1.432
149 HD1 TYR 17 1HD TYR 17 1.744 1.088 -2.740
150 HD2 TYR 17 2HD TYR 17 1.868 5.345 -2.689
151 HE1 TYR 17 1HE TYR 17 -0.131 1.157 -4.331
152 HE2 TYR 17 2HE TYR 17 -0.007 5.424 -4.276
153 HH TYR 17 HH TYR 17 -1.087 4.055 -5.923
154 H ALA 18 H ALA 18 2.487 1.673 0.957
155 HA ALA 18 HA ALA 18 -0.279 1.356 0.928
156 HB1 ALA 18 1HB ALA 18 1.623 0.411 3.076
157 HB2 ALA 18 2HB ALA 18 1.305 -0.417 1.553
158 HB3 ALA 18 3HB ALA 18 0.017 -0.236 2.743
159 H GLU 19 H GLU 19 1.713 2.701 3.575
160 HA GLU 19 HA GLU 19 -0.355 3.337 5.332
161 HB2 GLU 19 1HB GLU 19 2.316 4.708 4.936
162 HB3 GLU 19 2HB GLU 19 1.248 5.007 6.299
163 HG2 GLU 19 1HG GLU 19 2.559 2.376 5.619
164 HG3 GLU 19 2HG GLU 19 3.061 3.491 6.889
165 H GLU 20 H GLU 20 1.289 5.439 2.995
166 HA GLU 20 HA GLU 20 -0.107 7.787 3.512
167 HB2 GLU 20 1HB GLU 20 1.158 6.828 0.929
168 HB3 GLU 20 2HB GLU 20 0.620 8.478 1.216
169 HG2 GLU 20 1HG GLU 20 2.227 8.694 3.047
170 HG3 GLU 20 2HG GLU 20 2.760 7.036 2.777
171 H LEU 21 H LEU 21 -0.734 5.370 0.970
172 HA LEU 21 HA LEU 21 -2.981 6.665 -0.125
173 HB2 LEU 21 1HB LEU 21 -1.641 4.907 -1.264
174 HB3 LEU 21 2HB LEU 21 -2.314 3.715 -0.167
175 HG LEU 21 HG LEU 21 -4.576 4.194 -1.068
176 HD11 LEU 21 1HD1 LEU 21 -4.213 6.493 -1.792
177 HD12 LEU 21 2HD1 LEU 21 -4.804 5.501 -3.124
178 HD13 LEU 21 3HD1 LEU 21 -3.097 5.941 -3.041
179 HD21 LEU 21 1HD2 LEU 21 -3.271 2.341 -1.971
180 HD22 LEU 21 2HD2 LEU 21 -2.528 3.422 -3.151
181 HD23 LEU 21 3HD2 LEU 21 -4.258 3.086 -3.227
182 H SER 22 H SER 22 -2.682 4.140 2.348
183 HA SER 22 HA SER 22 -5.438 3.577 2.578
184 HB2 SER 22 1HB SER 22 -3.670 2.064 3.418
185 HB3 SER 22 2HB SER 22 -3.271 3.236 4.673
186 HG SER 22 HG SER 22 -5.858 2.826 4.858
187 H ARG 23 H ARG 23 -3.360 5.930 4.261
188 HA ARG 23 HA ARG 23 -5.540 6.722 5.990
189 HB2 ARG 23 1HB ARG 23 -4.003 8.376 6.926
190 HB3 ARG 23 2HB ARG 23 -3.271 6.784 6.875
191 HG2 ARG 23 1HG ARG 23 -1.545 8.187 6.235
192 HG3 ARG 23 2HG ARG 23 -2.160 7.591 4.695
193 HD2 ARG 23 1HD ARG 23 -1.647 10.062 4.799
194 HD3 ARG 23 2HD ARG 23 -3.263 9.640 4.235
195 HE ARG 23 HE ARG 23 -4.170 10.521 6.178
196 HH11 ARG 23 1HH1 ARG 23 -0.667 10.569 6.380
197 HH12 ARG 23 2HH1 ARG 23 -0.645 11.683 7.709
198 HH21 ARG 23 1HH2 ARG 23 -4.122 11.982 7.923
199 HH22 ARG 23 2HH2 ARG 23 -2.594 12.484 8.578
200 H ARG 24 H ARG 24 -4.276 7.708 2.919
201 HA ARG 24 HA ARG 24 -5.410 10.336 2.945
202 HB2 ARG 24 1HB ARG 24 -3.535 9.806 1.469
203 HB3 ARG 24 2HB ARG 24 -4.511 8.610 0.622
204 HG2 ARG 24 1HG ARG 24 -5.993 10.366 -0.194
205 HG3 ARG 24 2HG ARG 24 -5.074 11.578 0.699
206 HD2 ARG 24 1HD ARG 24 -4.002 9.848 -1.534
207 HD3 ARG 24 2HD ARG 24 -4.488 11.535 -1.691
208 HE ARG 24 HE ARG 24 -2.028 10.530 -0.629
209 HH11 ARG 24 1HH1 ARG 24 -4.274 13.204 -0.433
210 HH12 ARG 24 2HH1 ARG 24 -3.069 14.348 0.054
211 HH21 ARG 24 1HH2 ARG 24 -0.427 12.054 -0.022
212 HH22 ARG 24 2HH2 ARG 24 -0.888 13.703 0.279
213 H THR 25 H THR 25 -6.433 7.201 1.642
214 HA THR 25 HA THR 25 -8.824 8.321 0.461
215 HB THR 25 HB THR 25 -9.307 5.998 -0.229
216 HG1 THR 25 1HG THR 25 -6.824 5.205 0.881
217 HG21 THR 25 1HG2 THR 25 -7.859 7.351 -1.660
218 HG22 THR 25 2HG2 THR 25 -7.342 5.663 -1.680
219 HG23 THR 25 3HG2 THR 25 -6.445 6.849 -0.731
220 H GLY 26 H GLY 26 -10.968 7.281 0.904
221 HA2 GLY 26 1HA GLY 26 -11.380 6.907 3.795
222 HA3 GLY 26 2HA GLY 26 -12.626 7.252 2.601
223 H CYS 27 H CYS 27 -10.333 4.934 1.678
224 HA CYS 27 HA CYS 27 -12.288 2.770 2.092
225 HB2 CYS 27 2HB CYS 27 -10.190 3.142 -0.066
226 HB3 CYS 27 1HB CYS 27 -11.170 1.691 0.123
227 H GLU 28 H GLU 28 -11.017 0.565 1.877
228 HA GLU 28 HA GLU 28 -8.706 0.655 3.701
229 HB2 GLU 28 1HB GLU 28 -10.657 -0.483 4.678
230 HB3 GLU 28 2HB GLU 28 -10.752 -1.547 3.282
231 HG2 GLU 28 1HG GLU 28 -8.589 -2.512 3.850
232 HG3 GLU 28 2HG GLU 28 -8.458 -1.430 5.236
233 H VAL 29 H VAL 29 -7.029 0.667 2.321
234 HA VAL 29 HA VAL 29 -6.883 -1.485 0.320
235 HB VAL 29 HB VAL 29 -7.276 0.577 -0.885
236 HG11 VAL 29 1HG1 VAL 29 -4.883 1.707 0.572
237 HG12 VAL 29 2HG1 VAL 29 -6.566 2.198 0.771
238 HG13 VAL 29 3HG1 VAL 29 -5.738 2.489 -0.758
239 HG21 VAL 29 1HG2 VAL 29 -5.259 0.655 -2.305
240 HG22 VAL 29 2HG2 VAL 29 -5.754 -0.998 -1.935
241 HG23 VAL 29 3HG2 VAL 29 -4.382 -0.277 -1.091
242 H GLU 30 H GLU 30 -5.174 -2.755 0.511
243 HA GLU 30 HA GLU 30 -2.841 -1.736 2.018
244 HB2 GLU 30 1HB GLU 30 -4.154 -3.616 3.129
245 HB3 GLU 30 2HB GLU 30 -3.630 -4.654 1.809
246 HG2 GLU 30 1HG GLU 30 -1.290 -4.239 2.416
247 HG3 GLU 30 2HG GLU 30 -1.818 -3.205 3.739
248 H VAL 31 H VAL 31 -0.755 -2.740 1.328
249 HA VAL 31 HA VAL 31 -0.773 -3.268 -1.570
250 HB VAL 31 HB VAL 31 1.247 -1.587 -0.051
251 HG11 VAL 31 1HG1 VAL 31 1.081 -2.227 -3.001
252 HG12 VAL 31 2HG1 VAL 31 2.311 -2.805 -1.877
253 HG13 VAL 31 3HG1 VAL 31 2.203 -1.087 -2.262
254 HG21 VAL 31 1HG2 VAL 31 0.368 0.284 -1.407
255 HG22 VAL 31 2HG2 VAL 31 -0.847 -0.396 -0.324
256 HG23 VAL 31 3HG2 VAL 31 -0.881 -0.789 -2.043
257 H GLU 32 H GLU 32 0.807 -4.645 -2.350
258 HA GLU 32 HA GLU 32 2.274 -6.263 -0.373
259 HB2 GLU 32 1HB GLU 32 1.453 -7.018 -3.200
260 HB3 GLU 32 2HB GLU 32 2.167 -8.077 -1.993
261 HG2 GLU 32 1HG GLU 32 0.152 -7.810 -0.598
262 HG3 GLU 32 2HG GLU 32 -0.561 -6.810 -1.861
263 H CYS 33 H CYS 33 4.465 -6.957 -1.112
264 HA CYS 33 HA CYS 33 5.646 -4.791 -2.733
265 HB2 CYS 33 2HB CYS 33 6.082 -4.814 -0.202
266 HB3 CYS 33 1HB CYS 33 7.102 -6.218 -0.512
267 H GLU 34 H GLU 34 6.387 -5.487 -4.569
268 HA GLU 34 HA GLU 34 7.436 -8.226 -4.842
269 HB2 GLU 34 1HB GLU 34 6.174 -6.412 -6.924
270 HB3 GLU 34 2HB GLU 34 6.792 -8.028 -7.232
271 HG2 GLU 34 1HG GLU 34 4.534 -7.420 -5.331
272 HG3 GLU 34 2HG GLU 34 4.312 -7.865 -7.022
273 H THR 35 H THR 35 8.906 -8.296 -6.884
274 HA THR 35 HA THR 35 10.293 -5.899 -7.600
275 HB THR 35 HB THR 35 11.596 -6.289 -5.627
276 HG1 THR 35 1HG THR 35 13.345 -5.920 -6.733
277 HG21 THR 35 1HG2 THR 35 11.056 -8.615 -5.156
278 HG22 THR 35 2HG2 THR 35 12.806 -8.395 -5.194
279 HG23 THR 35 3HG2 THR 35 11.983 -9.139 -6.564
Start of MODEL 9
1 H1 CYS 1 1H CYS 1 -16.606 0.143 0.735
2 H2 CYS 1 2H CYS 1 -15.480 0.012 1.991
3 H3 CYS 1 3H CYS 1 -15.861 -1.340 1.053
4 HA CYS 1 HA CYS 1 -14.886 -0.371 -0.882
5 HB2 CYS 1 2HB CYS 1 -15.417 1.972 -0.361
6 HB3 CYS 1 1HB CYS 1 -14.253 1.955 0.958
7 H LYS 2 H LYS 2 -13.319 -1.849 -1.012
8 HA LYS 2 HA LYS 2 -10.952 -1.541 0.692
9 HB2 LYS 2 1HB LYS 2 -10.781 -3.941 1.091
10 HB3 LYS 2 2HB LYS 2 -12.297 -3.324 1.732
11 HG2 LYS 2 1HG LYS 2 -13.446 -4.181 -0.295
12 HG3 LYS 2 2HG LYS 2 -11.919 -4.885 -0.823
13 HD2 LYS 2 1HD LYS 2 -13.295 -5.555 1.790
14 HD3 LYS 2 2HD LYS 2 -13.459 -6.497 0.310
15 HE2 LYS 2 1HE LYS 2 -11.833 -7.589 1.665
16 HE3 LYS 2 2HE LYS 2 -10.969 -6.819 0.339
17 HZ1 LYS 2 1HZ LYS 2 -11.247 -5.570 3.011
18 HZ2 LYS 2 2HZ LYS 2 -10.185 -5.133 1.770
19 HZ3 LYS 2 3HZ LYS 2 -9.960 -6.584 2.606
20 H GLN 3 H GLN 3 -9.028 -1.967 -0.375
21 HA GLN 3 HA GLN 3 -9.227 -2.776 -3.207
22 HB2 GLN 3 1HB GLN 3 -9.079 -0.343 -3.114
23 HB3 GLN 3 2HB GLN 3 -7.692 -0.433 -2.040
24 HG2 GLN 3 1HG GLN 3 -7.006 0.150 -4.289
25 HG3 GLN 3 2HG GLN 3 -6.361 -1.426 -3.835
26 HE21 GLN 3 1HE2 GLN 3 -8.955 -1.035 -6.929
27 HE22 GLN 3 2HE2 GLN 3 -8.604 0.279 -5.862
28 H ARG 4 H ARG 4 -7.328 -3.774 -4.059
29 HA ARG 4 HA ARG 4 -5.097 -4.153 -2.210
30 HB2 ARG 4 1HB ARG 4 -4.852 -6.536 -3.091
31 HB3 ARG 4 2HB ARG 4 -6.132 -6.242 -1.932
32 HG2 ARG 4 1HG ARG 4 -7.168 -7.619 -3.465
33 HG3 ARG 4 2HG ARG 4 -7.656 -6.022 -4.026
34 HD2 ARG 4 1HD ARG 4 -6.967 -7.561 -5.852
35 HD3 ARG 4 2HD ARG 4 -6.020 -6.081 -5.789
36 HE ARG 4 HE ARG 4 -4.227 -7.396 -4.755
37 HH11 ARG 4 1HH1 ARG 4 -6.750 -9.148 -6.436
38 HH12 ARG 4 2HH1 ARG 4 -5.750 -10.526 -6.757
39 HH21 ARG 4 1HH2 ARG 4 -2.896 -9.193 -5.214
40 HH22 ARG 4 2HH2 ARG 4 -3.564 -10.557 -6.059
41 H ARG 5 H ARG 5 -3.302 -3.452 -3.101
42 HA ARG 5 HA ARG 5 -3.044 -3.459 -6.051
43 HB2 ARG 5 1HB ARG 5 -1.994 -1.414 -4.069
44 HB3 ARG 5 2HB ARG 5 -1.629 -1.416 -5.786
45 HG2 ARG 5 1HG ARG 5 -4.407 -1.133 -4.647
46 HG3 ARG 5 2HG ARG 5 -3.369 0.222 -5.084
47 HD2 ARG 5 1HD ARG 5 -4.831 -0.110 -6.916
48 HD3 ARG 5 2HD ARG 5 -3.271 -0.759 -7.413
49 HE ARG 5 HE ARG 5 -4.900 -2.792 -6.293
50 HH11 ARG 5 1HH1 ARG 5 -4.533 -0.881 -9.197
51 HH12 ARG 5 2HH1 ARG 5 -5.268 -2.071 -10.224
52 HH21 ARG 5 1HH2 ARG 5 -5.859 -4.366 -7.640
53 HH22 ARG 5 2HH2 ARG 5 -5.991 -4.060 -9.345
54 H ARG 6 H ARG 6 -0.601 -3.170 -6.627
55 HA ARG 6 HA ARG 6 1.131 -4.552 -4.726
56 HB2 ARG 6 1HB ARG 6 2.098 -5.816 -6.768
57 HB3 ARG 6 2HB ARG 6 0.622 -6.402 -6.017
58 HG2 ARG 6 1HG ARG 6 -0.683 -5.263 -7.792
59 HG3 ARG 6 2HG ARG 6 0.837 -4.811 -8.571
60 HD2 ARG 6 1HD ARG 6 -0.245 -6.870 -9.511
61 HD3 ARG 6 2HD ARG 6 1.414 -7.097 -8.955
62 HE ARG 6 HE ARG 6 -0.551 -7.736 -6.948
63 HH11 ARG 6 1HH1 ARG 6 1.181 -8.998 -9.724
64 HH12 ARG 6 2HH1 ARG 6 1.045 -10.653 -9.213
65 HH21 ARG 6 1HH2 ARG 6 -0.701 -9.896 -6.263
66 HH22 ARG 6 2HH2 ARG 6 -0.014 -11.161 -7.237
67 H TYR 7 H TYR 7 3.423 -4.301 -5.188
68 HA TYR 7 HA TYR 7 4.052 -1.813 -6.598
69 HB2 TYR 7 2HB TYR 7 3.310 -1.369 -4.195
70 HB3 TYR 7 1HB TYR 7 4.752 -2.233 -3.679
71 HD1 TYR 7 1HD TYR 7 6.871 -1.139 -3.641
72 HD2 TYR 7 2HD TYR 7 3.544 0.742 -5.517
73 HE1 TYR 7 1HE TYR 7 8.146 0.950 -3.799
74 HE2 TYR 7 2HE TYR 7 4.820 2.841 -5.688
75 HH TYR 7 HH TYR 7 8.189 2.985 -5.070
76 H ARG 8 H ARG 8 6.401 -1.393 -6.626
77 HA ARG 8 HA ARG 8 8.101 -3.770 -6.345
78 HB2 ARG 8 1HB ARG 8 7.660 -3.999 -8.611
79 HB3 ARG 8 2HB ARG 8 7.407 -2.282 -8.847
80 HG2 ARG 8 1HG ARG 8 9.349 -2.847 -10.053
81 HG3 ARG 8 2HG ARG 8 9.899 -1.979 -8.625
82 HD2 ARG 8 1HD ARG 8 10.722 -3.954 -7.620
83 HD3 ARG 8 2HD ARG 8 9.821 -4.990 -8.735
84 HE ARG 8 HE ARG 8 11.403 -3.654 -10.424
85 HH11 ARG 8 1HH1 ARG 8 12.248 -5.225 -7.400
86 HH12 ARG 8 2HH1 ARG 8 13.833 -5.668 -7.946
87 HH21 ARG 8 1HH2 ARG 8 13.488 -4.215 -11.109
88 HH22 ARG 8 2HH2 ARG 8 14.550 -5.069 -10.033
89 H GLY 9 H GLY 9 9.911 -3.220 -5.269
90 HA2 GLY 9 1HA GLY 9 11.693 -1.238 -5.772
91 HA3 GLY 9 2HA GLY 9 10.508 -0.443 -4.746
92 H SER 10 H SER 10 10.002 -1.620 -2.674
93 HA SER 10 HA SER 10 11.672 -3.525 -1.516
94 HB2 SER 10 1HB SER 10 12.994 -1.974 0.020
95 HB3 SER 10 2HB SER 10 13.523 -2.015 -1.663
96 HG SER 10 HG SER 10 12.124 -0.110 -1.937
97 H GLU 11 H GLU 11 11.326 -3.668 0.880
98 HA GLU 11 HA GLU 11 8.602 -3.577 1.386
99 HB2 GLU 11 1HB GLU 11 9.076 -4.220 3.653
100 HB3 GLU 11 2HB GLU 11 10.217 -5.037 2.597
101 HG2 GLU 11 1HG GLU 11 12.014 -3.759 3.324
102 HG3 GLU 11 2HG GLU 11 10.984 -2.460 3.919
103 H GLU 12 H GLU 12 11.098 -1.241 2.328
104 HA GLU 12 HA GLU 12 9.536 0.220 4.144
105 HB2 GLU 12 1HB GLU 12 11.966 0.431 4.087
106 HB3 GLU 12 2HB GLU 12 11.889 1.145 2.484
107 HG2 GLU 12 1HG GLU 12 12.260 2.872 4.117
108 HG3 GLU 12 2HG GLU 12 10.658 3.065 3.413
109 H GLU 13 H GLU 13 10.361 1.092 0.758
110 HA GLU 13 HA GLU 13 8.582 3.275 0.694
111 HB2 GLU 13 1HB GLU 13 8.885 3.259 -1.742
112 HB3 GLU 13 2HB GLU 13 10.415 3.130 -0.887
113 HG2 GLU 13 1HG GLU 13 10.435 0.708 -1.326
114 HG3 GLU 13 2HG GLU 13 8.927 0.878 -2.226
115 H CYS 14 H CYS 14 8.111 -0.149 0.125
116 HA CYS 14 HA CYS 14 5.489 0.018 -0.944
117 HB2 CYS 14 2HB CYS 14 6.742 -2.158 0.755
118 HB3 CYS 14 1HB CYS 14 5.221 -2.310 -0.115
119 H ARG 15 H ARG 15 6.764 -0.103 2.343
120 HA ARG 15 HA ARG 15 4.301 -0.166 3.725
121 HB2 ARG 15 1HB ARG 15 7.094 0.695 4.490
122 HB3 ARG 15 2HB ARG 15 5.757 0.833 5.621
123 HG2 ARG 15 1HG ARG 15 5.555 -1.445 5.885
124 HG3 ARG 15 2HG ARG 15 6.250 -1.802 4.303
125 HD2 ARG 15 1HD ARG 15 7.704 -2.395 6.270
126 HD3 ARG 15 2HD ARG 15 8.454 -1.341 5.073
127 HE ARG 15 HE ARG 15 7.333 0.289 7.032
128 HH11 ARG 15 1HH1 ARG 15 9.819 -2.172 6.829
129 HH12 ARG 15 2HH1 ARG 15 10.826 -1.431 8.031
130 HH21 ARG 15 1HH2 ARG 15 8.681 1.279 8.606
131 HH22 ARG 15 2HH2 ARG 15 10.186 0.534 9.039
132 H LYS 16 H LYS 16 6.381 2.471 2.621
133 HA LYS 16 HA LYS 16 4.809 4.555 3.739
134 HB2 LYS 16 1HB LYS 16 6.721 4.664 1.389
135 HB3 LYS 16 2HB LYS 16 6.101 6.048 2.282
136 HG2 LYS 16 1HG LYS 16 7.193 5.054 4.338
137 HG3 LYS 16 2HG LYS 16 7.990 3.916 3.252
138 HD2 LYS 16 1HD LYS 16 9.464 5.792 3.721
139 HD3 LYS 16 2HD LYS 16 8.986 5.813 2.022
140 HE2 LYS 16 1HE LYS 16 8.922 8.058 3.003
141 HE3 LYS 16 2HE LYS 16 7.318 7.533 2.493
142 HZ1 LYS 16 1HZ LYS 16 8.368 7.503 5.269
143 HZ2 LYS 16 2HZ LYS 16 6.844 6.937 4.807
144 HZ3 LYS 16 3HZ LYS 16 7.223 8.579 4.647
145 H TYR 17 H TYR 17 4.859 2.922 0.616
146 HA TYR 17 HA TYR 17 2.954 4.490 -0.722
147 HB2 TYR 17 2HB TYR 17 4.305 2.827 -1.894
148 HB3 TYR 17 1HB TYR 17 3.574 1.526 -0.964
149 HD1 TYR 17 1HD TYR 17 1.539 0.523 -1.674
150 HD2 TYR 17 2HD TYR 17 2.885 4.103 -3.546
151 HE1 TYR 17 1HE TYR 17 -0.158 0.237 -3.423
152 HE2 TYR 17 2HE TYR 17 1.185 3.827 -5.303
153 HH TYR 17 HH TYR 17 -0.128 1.954 -6.317
154 H ALA 18 H ALA 18 2.591 1.586 1.278
155 HA ALA 18 HA ALA 18 -0.224 1.449 1.224
156 HB1 ALA 18 1HB ALA 18 1.685 0.494 3.368
157 HB2 ALA 18 2HB ALA 18 1.173 -0.423 1.951
158 HB3 ALA 18 3HB ALA 18 -0.001 0.003 3.195
159 H GLU 19 H GLU 19 2.041 3.117 3.347
160 HA GLU 19 HA GLU 19 0.287 4.036 5.317
161 HB2 GLU 19 1HB GLU 19 2.756 4.181 5.456
162 HB3 GLU 19 2HB GLU 19 2.754 5.400 4.192
163 HG2 GLU 19 1HG GLU 19 3.033 6.504 6.283
164 HG3 GLU 19 2HG GLU 19 1.415 6.872 5.690
165 H GLU 20 H GLU 20 1.515 5.813 2.495
166 HA GLU 20 HA GLU 20 -0.098 8.063 2.738
167 HB2 GLU 20 1HB GLU 20 1.075 6.860 0.215
168 HB3 GLU 20 2HB GLU 20 0.472 8.503 0.371
169 HG2 GLU 20 1HG GLU 20 2.820 7.314 1.841
170 HG3 GLU 20 2HG GLU 20 2.894 8.455 0.499
171 H LEU 21 H LEU 21 -0.575 5.171 0.745
172 HA LEU 21 HA LEU 21 -2.942 5.949 -0.519
173 HB2 LEU 21 1HB LEU 21 -1.455 4.044 -1.142
174 HB3 LEU 21 2HB LEU 21 -2.064 3.153 0.236
175 HG LEU 21 HG LEU 21 -4.269 3.013 -0.755
176 HD11 LEU 21 1HD1 LEU 21 -4.743 3.916 -2.982
177 HD12 LEU 21 2HD1 LEU 21 -3.151 4.676 -3.017
178 HD13 LEU 21 3HD1 LEU 21 -4.354 5.199 -1.838
179 HD21 LEU 21 1HD2 LEU 21 -2.142 2.336 -2.802
180 HD22 LEU 21 2HD2 LEU 21 -3.756 1.629 -2.697
181 HD23 LEU 21 3HD2 LEU 21 -2.579 1.335 -1.415
182 H SER 22 H SER 22 -2.450 4.117 2.480
183 HA SER 22 HA SER 22 -5.173 3.600 3.024
184 HB2 SER 22 1HB SER 22 -3.385 2.297 4.067
185 HB3 SER 22 2HB SER 22 -2.791 3.729 4.903
186 HG SER 22 HG SER 22 -5.269 2.399 5.290
187 H ARG 23 H ARG 23 -2.967 6.134 4.188
188 HA ARG 23 HA ARG 23 -4.920 7.355 5.881
189 HB2 ARG 23 1HB ARG 23 -3.260 8.977 6.372
190 HB3 ARG 23 2HB ARG 23 -2.394 7.463 6.158
191 HG2 ARG 23 1HG ARG 23 -2.106 8.308 3.697
192 HG3 ARG 23 2HG ARG 23 -2.449 9.883 4.405
193 HD2 ARG 23 1HD ARG 23 -0.222 7.996 5.178
194 HD3 ARG 23 2HD ARG 23 -0.058 9.512 4.297
195 HE ARG 23 HE ARG 23 -1.282 9.983 6.799
196 HH11 ARG 23 1HH1 ARG 23 1.826 9.254 5.332
197 HH12 ARG 23 2HH1 ARG 23 2.742 9.887 6.671
198 HH21 ARG 23 1HH2 ARG 23 -0.062 10.838 8.550
199 HH22 ARG 23 2HH2 ARG 23 1.674 10.786 8.486
200 H ARG 24 H ARG 24 -4.168 7.546 2.532
201 HA ARG 24 HA ARG 24 -5.261 10.180 2.104
202 HB2 ARG 24 1HB ARG 24 -3.477 9.052 0.660
203 HB3 ARG 24 2HB ARG 24 -4.768 8.061 -0.002
204 HG2 ARG 24 1HG ARG 24 -4.375 9.858 -1.520
205 HG3 ARG 24 2HG ARG 24 -5.914 10.175 -0.716
206 HD2 ARG 24 1HD ARG 24 -4.613 12.217 -0.845
207 HD3 ARG 24 2HD ARG 24 -4.762 11.708 0.838
208 HE ARG 24 HE ARG 24 -2.350 10.966 -0.669
209 HH11 ARG 24 1HH1 ARG 24 -3.812 12.824 1.919
210 HH12 ARG 24 2HH1 ARG 24 -2.292 13.319 2.587
211 HH21 ARG 24 1HH2 ARG 24 -0.355 11.575 0.242
212 HH22 ARG 24 2HH2 ARG 24 -0.325 12.603 1.643
213 H THR 25 H THR 25 -6.312 6.833 1.531
214 HA THR 25 HA THR 25 -8.883 7.759 0.519
215 HB THR 25 HB THR 25 -9.358 5.336 0.188
216 HG1 THR 25 1HG THR 25 -6.651 4.831 0.871
217 HG21 THR 25 1HG2 THR 25 -7.727 4.985 -1.613
218 HG22 THR 25 2HG2 THR 25 -6.710 6.266 -0.953
219 HG23 THR 25 3HG2 THR 25 -8.304 6.651 -1.604
220 H GLY 26 H GLY 26 -10.911 6.887 1.353
221 HA2 GLY 26 1HA GLY 26 -10.902 6.560 4.283
222 HA3 GLY 26 2HA GLY 26 -12.283 7.029 3.297
223 H CYS 27 H CYS 27 -10.067 4.446 2.563
224 HA CYS 27 HA CYS 27 -12.292 2.523 2.781
225 HB2 CYS 27 2HB CYS 27 -10.060 2.603 0.725
226 HB3 CYS 27 1HB CYS 27 -11.338 1.395 0.808
227 H GLU 28 H GLU 28 -11.025 0.224 2.303
228 HA GLU 28 HA GLU 28 -8.865 0.008 4.301
229 HB2 GLU 28 1HB GLU 28 -10.818 -1.303 4.943
230 HB3 GLU 28 2HB GLU 28 -10.900 -2.031 3.344
231 HG2 GLU 28 1HG GLU 28 -9.980 -3.635 4.843
232 HG3 GLU 28 2HG GLU 28 -8.698 -3.091 3.764
233 H VAL 29 H VAL 29 -6.911 -0.436 3.462
234 HA VAL 29 HA VAL 29 -6.822 -1.281 0.638
235 HB VAL 29 HB VAL 29 -4.917 0.518 2.136
236 HG11 VAL 29 1HG1 VAL 29 -3.705 -0.861 0.533
237 HG12 VAL 29 2HG1 VAL 29 -3.771 0.813 -0.015
238 HG13 VAL 29 3HG1 VAL 29 -4.831 -0.392 -0.744
239 HG21 VAL 29 1HG2 VAL 29 -5.697 2.264 0.587
240 HG22 VAL 29 2HG2 VAL 29 -7.015 1.626 1.568
241 HG23 VAL 29 3HG2 VAL 29 -6.846 1.120 -0.113
242 H GLU 30 H GLU 30 -5.569 -2.887 0.049
243 HA GLU 30 HA GLU 30 -3.663 -4.065 1.958
244 HB2 GLU 30 1HB GLU 30 -5.760 -5.452 1.458
245 HB3 GLU 30 2HB GLU 30 -5.174 -5.578 -0.196
246 HG2 GLU 30 1HG GLU 30 -4.634 -7.550 1.185
247 HG3 GLU 30 2HG GLU 30 -3.203 -6.747 0.534
248 H VAL 31 H VAL 31 -1.663 -4.765 0.979
249 HA VAL 31 HA VAL 31 -1.304 -4.062 -1.828
250 HB VAL 31 HB VAL 31 -0.873 -2.005 -0.380
251 HG11 VAL 31 1HG1 VAL 31 1.291 -1.828 0.720
252 HG12 VAL 31 2HG1 VAL 31 1.628 -3.520 0.356
253 HG13 VAL 31 3HG1 VAL 31 0.308 -3.100 1.448
254 HG21 VAL 31 1HG2 VAL 31 -0.131 -2.136 -2.686
255 HG22 VAL 31 2HG2 VAL 31 1.339 -2.981 -2.192
256 HG23 VAL 31 3HG2 VAL 31 1.073 -1.307 -1.703
257 H GLU 32 H GLU 32 0.391 -5.036 -2.818
258 HA GLU 32 HA GLU 32 1.801 -7.140 -1.308
259 HB2 GLU 32 1HB GLU 32 1.194 -7.042 -4.277
260 HB3 GLU 32 2HB GLU 32 1.813 -8.412 -3.366
261 HG2 GLU 32 1HG GLU 32 -0.274 -8.721 -2.258
262 HG3 GLU 32 2HG GLU 32 -0.892 -7.188 -2.872
263 H CYS 33 H CYS 33 4.044 -7.093 -1.388
264 HA CYS 33 HA CYS 33 5.178 -4.826 -2.896
265 HB2 CYS 33 2HB CYS 33 5.246 -4.430 -0.503
266 HB3 CYS 33 1HB CYS 33 6.046 -5.976 -0.238
267 H GLU 34 H GLU 34 6.772 -5.179 -4.268
268 HA GLU 34 HA GLU 34 8.386 -7.638 -4.035
269 HB2 GLU 34 1HB GLU 34 7.923 -5.821 -6.420
270 HB3 GLU 34 2HB GLU 34 9.090 -7.135 -6.395
271 HG2 GLU 34 1HG GLU 34 6.140 -7.500 -5.976
272 HG3 GLU 34 2HG GLU 34 6.941 -7.636 -7.535
273 H THR 35 H THR 35 10.645 -7.361 -4.178
274 HA THR 35 HA THR 35 11.523 -4.699 -3.288
275 HB THR 35 HB THR 35 13.072 -7.303 -3.124
276 HG1 THR 35 1HG THR 35 11.473 -7.635 -1.698
277 HG21 THR 35 1HG2 THR 35 14.422 -6.093 -1.459
278 HG22 THR 35 2HG2 THR 35 13.463 -4.640 -1.740
279 HG23 THR 35 3HG2 THR 35 14.476 -5.291 -3.029
Start of MODEL 10
1 H1 CYS 1 1H CYS 1 -15.212 -1.952 -0.797
2 H2 CYS 1 2H CYS 1 -16.147 -0.557 -0.636
3 H3 CYS 1 3H CYS 1 -15.432 -1.251 0.725
4 HA CYS 1 HA CYS 1 -13.993 -0.049 -1.557
5 HB2 CYS 1 2HB CYS 1 -15.333 1.361 0.249
6 HB3 CYS 1 1HB CYS 1 -13.900 1.055 1.221
7 H LYS 2 H LYS 2 -13.575 -2.678 -0.663
8 HA LYS 2 HA LYS 2 -10.943 -2.512 0.630
9 HB2 LYS 2 1HB LYS 2 -12.562 -4.927 -0.234
10 HB3 LYS 2 2HB LYS 2 -10.972 -5.004 0.511
11 HG2 LYS 2 1HG LYS 2 -11.904 -3.909 2.524
12 HG3 LYS 2 2HG LYS 2 -13.500 -3.968 1.776
13 HD2 LYS 2 1HD LYS 2 -11.776 -6.375 2.392
14 HD3 LYS 2 2HD LYS 2 -13.125 -5.815 3.377
15 HE2 LYS 2 1HE LYS 2 -13.975 -7.590 2.070
16 HE3 LYS 2 2HE LYS 2 -14.587 -6.117 1.329
17 HZ1 LYS 2 1HZ LYS 2 -13.063 -6.320 -0.446
18 HZ2 LYS 2 2HZ LYS 2 -13.710 -7.866 -0.227
19 HZ3 LYS 2 3HZ LYS 2 -12.160 -7.511 0.343
20 H GLN 3 H GLN 3 -9.246 -2.201 -0.664
21 HA GLN 3 HA GLN 3 -9.421 -3.087 -3.479
22 HB2 GLN 3 1HB GLN 3 -7.815 -0.815 -2.276
23 HB3 GLN 3 2HB GLN 3 -7.800 -1.281 -3.974
24 HG2 GLN 3 1HG GLN 3 -10.125 -0.668 -4.207
25 HG3 GLN 3 2HG GLN 3 -10.240 -0.323 -2.482
26 HE21 GLN 3 1HE2 GLN 3 -8.604 2.356 -5.044
27 HE22 GLN 3 2HE2 GLN 3 -8.971 0.737 -5.533
28 H ARG 4 H ARG 4 -7.457 -3.869 -4.453
29 HA ARG 4 HA ARG 4 -5.250 -4.501 -2.609
30 HB2 ARG 4 1HB ARG 4 -6.380 -6.406 -4.686
31 HB3 ARG 4 2HB ARG 4 -4.909 -6.672 -3.759
32 HG2 ARG 4 1HG ARG 4 -6.315 -6.593 -1.678
33 HG3 ARG 4 2HG ARG 4 -7.738 -6.587 -2.725
34 HD2 ARG 4 1HD ARG 4 -7.314 -8.848 -2.023
35 HD3 ARG 4 2HD ARG 4 -6.930 -8.717 -3.739
36 HE ARG 4 HE ARG 4 -4.959 -8.865 -1.543
37 HH11 ARG 4 1HH1 ARG 4 -5.760 -9.230 -4.936
38 HH12 ARG 4 2HH1 ARG 4 -4.237 -9.957 -5.349
39 HH21 ARG 4 1HH2 ARG 4 -2.944 -9.811 -2.091
40 HH22 ARG 4 2HH2 ARG 4 -2.631 -10.267 -3.737
41 H ARG 5 H ARG 5 -3.442 -3.602 -3.342
42 HA ARG 5 HA ARG 5 -3.144 -3.153 -6.246
43 HB2 ARG 5 1HB ARG 5 -2.214 -1.399 -3.956
44 HB3 ARG 5 2HB ARG 5 -1.798 -1.140 -5.640
45 HG2 ARG 5 1HG ARG 5 -4.594 -1.079 -4.525
46 HG3 ARG 5 2HG ARG 5 -3.604 0.332 -4.892
47 HD2 ARG 5 1HD ARG 5 -3.478 -0.469 -7.255
48 HD3 ARG 5 2HD ARG 5 -4.639 -1.728 -6.838
49 HE ARG 5 HE ARG 5 -6.232 0.050 -6.340
50 HH11 ARG 5 1HH1 ARG 5 -3.438 0.852 -8.270
51 HH12 ARG 5 2HH1 ARG 5 -4.175 2.235 -9.009
52 HH21 ARG 5 1HH2 ARG 5 -7.224 1.895 -7.308
53 HH22 ARG 5 2HH2 ARG 5 -6.322 2.841 -8.449
54 H ARG 6 H ARG 6 -1.008 -3.323 -7.083
55 HA ARG 6 HA ARG 6 0.842 -4.832 -5.353
56 HB2 ARG 6 1HB ARG 6 0.480 -4.980 -8.359
57 HB3 ARG 6 2HB ARG 6 1.763 -5.794 -7.470
58 HG2 ARG 6 1HG ARG 6 -0.092 -6.923 -6.131
59 HG3 ARG 6 2HG ARG 6 -1.197 -6.318 -7.366
60 HD2 ARG 6 1HD ARG 6 1.215 -8.043 -7.927
61 HD3 ARG 6 2HD ARG 6 -0.428 -8.655 -7.743
62 HE ARG 6 HE ARG 6 -0.913 -7.049 -9.696
63 HH11 ARG 6 1HH1 ARG 6 2.130 -8.725 -9.240
64 HH12 ARG 6 2HH1 ARG 6 2.409 -8.946 -10.936
65 HH21 ARG 6 1HH2 ARG 6 -0.538 -7.342 -11.947
66 HH22 ARG 6 2HH2 ARG 6 0.908 -8.146 -12.468
67 H TYR 7 H TYR 7 2.897 -4.167 -5.176
68 HA TYR 7 HA TYR 7 3.731 -1.752 -6.628
69 HB2 TYR 7 2HB TYR 7 2.766 -1.181 -4.370
70 HB3 TYR 7 1HB TYR 7 4.019 -2.171 -3.634
71 HD1 TYR 7 1HD TYR 7 6.281 -1.347 -3.413
72 HD2 TYR 7 2HD TYR 7 3.343 0.943 -5.479
73 HE1 TYR 7 1HE TYR 7 7.769 0.610 -3.352
74 HE2 TYR 7 2HE TYR 7 4.829 2.900 -5.434
75 HH TYR 7 HH TYR 7 8.116 2.709 -4.590
76 H ARG 8 H ARG 8 5.988 -1.588 -6.920
77 HA ARG 8 HA ARG 8 7.488 -4.027 -6.223
78 HB2 ARG 8 1HB ARG 8 8.837 -3.660 -8.223
79 HB3 ARG 8 2HB ARG 8 7.136 -3.782 -8.639
80 HG2 ARG 8 1HG ARG 8 7.041 -1.295 -8.762
81 HG3 ARG 8 2HG ARG 8 8.784 -1.261 -8.486
82 HD2 ARG 8 1HD ARG 8 7.307 -2.450 -10.829
83 HD3 ARG 8 2HD ARG 8 8.412 -1.079 -10.839
84 HE ARG 8 HE ARG 8 9.085 -3.859 -10.957
85 HH11 ARG 8 1HH1 ARG 8 10.284 -0.729 -9.937
86 HH12 ARG 8 2HH1 ARG 8 11.950 -1.178 -10.063
87 HH21 ARG 8 1HH2 ARG 8 11.264 -4.436 -11.186
88 HH22 ARG 8 2HH2 ARG 8 12.513 -3.290 -10.809
89 H GLY 9 H GLY 9 9.059 -3.766 -4.791
90 HA2 GLY 9 1HA GLY 9 11.052 -1.944 -4.623
91 HA3 GLY 9 2HA GLY 9 9.704 -1.092 -3.880
92 H SER 10 H SER 10 11.442 -1.223 -2.110
93 HA SER 10 HA SER 10 11.586 -3.806 -0.768
94 HB2 SER 10 1HB SER 10 13.226 -2.606 0.719
95 HB3 SER 10 2HB SER 10 13.674 -2.636 -0.986
96 HG SER 10 HG SER 10 13.264 -0.533 -1.167
97 H GLU 11 H GLU 11 11.630 -3.590 1.707
98 HA GLU 11 HA GLU 11 9.118 -3.494 2.696
99 HB2 GLU 11 1HB GLU 11 10.190 -3.299 4.955
100 HB3 GLU 11 2HB GLU 11 10.903 -4.528 3.918
101 HG2 GLU 11 1HG GLU 11 12.686 -2.867 3.316
102 HG3 GLU 11 2HG GLU 11 12.023 -1.803 4.555
103 H GLU 12 H GLU 12 11.452 -0.782 2.943
104 HA GLU 12 HA GLU 12 9.671 0.859 4.424
105 HB2 GLU 12 1HB GLU 12 12.361 0.975 3.822
106 HB3 GLU 12 2HB GLU 12 11.713 2.299 2.867
107 HG2 GLU 12 1HG GLU 12 11.417 1.924 5.847
108 HG3 GLU 12 2HG GLU 12 12.463 3.083 5.033
109 H GLU 13 H GLU 13 10.392 0.541 0.982
110 HA GLU 13 HA GLU 13 8.903 2.742 0.048
111 HB2 GLU 13 1HB GLU 13 9.396 0.068 -1.302
112 HB3 GLU 13 2HB GLU 13 8.848 1.531 -2.110
113 HG2 GLU 13 1HG GLU 13 11.512 1.120 -0.759
114 HG3 GLU 13 2HG GLU 13 11.212 1.177 -2.494
115 H CYS 14 H CYS 14 8.025 -0.618 0.700
116 HA CYS 14 HA CYS 14 5.321 -0.506 -0.035
117 HB2 CYS 14 2HB CYS 14 6.738 -2.199 2.042
118 HB3 CYS 14 1HB CYS 14 5.072 -2.461 1.532
119 H ARG 15 H ARG 15 6.929 0.120 3.066
120 HA ARG 15 HA ARG 15 4.635 0.636 4.597
121 HB2 ARG 15 1HB ARG 15 7.502 1.535 4.863
122 HB3 ARG 15 2HB ARG 15 6.274 1.977 6.042
123 HG2 ARG 15 1HG ARG 15 6.933 -0.875 5.311
124 HG3 ARG 15 2HG ARG 15 7.668 -0.007 6.660
125 HD2 ARG 15 1HD ARG 15 4.713 -0.536 6.297
126 HD3 ARG 15 2HD ARG 15 5.785 -1.389 7.409
127 HE ARG 15 HE ARG 15 6.141 1.070 8.265
128 HH11 ARG 15 1HH1 ARG 15 3.123 -0.499 7.376
129 HH12 ARG 15 2HH1 ARG 15 2.168 0.503 8.422
130 HH21 ARG 15 1HH2 ARG 15 4.889 2.348 9.638
131 HH22 ARG 15 2HH2 ARG 15 3.170 2.108 9.716
132 H LYS 16 H LYS 16 6.715 2.821 2.733
133 HA LYS 16 HA LYS 16 5.458 5.236 3.384
134 HB2 LYS 16 1HB LYS 16 6.894 4.400 0.855
135 HB3 LYS 16 2HB LYS 16 6.383 6.047 1.180
136 HG2 LYS 16 1HG LYS 16 8.247 4.554 3.016
137 HG3 LYS 16 2HG LYS 16 8.820 5.461 1.621
138 HD2 LYS 16 1HD LYS 16 9.038 6.980 3.380
139 HD3 LYS 16 2HD LYS 16 7.515 7.448 2.628
140 HE2 LYS 16 1HE LYS 16 7.252 7.473 5.020
141 HE3 LYS 16 2HE LYS 16 6.316 6.135 4.361
142 HZ1 LYS 16 1HZ LYS 16 7.480 5.411 6.296
143 HZ2 LYS 16 2HZ LYS 16 8.960 5.960 5.694
144 HZ3 LYS 16 3HZ LYS 16 8.181 4.654 4.955
145 H TYR 17 H TYR 17 5.005 3.264 0.444
146 HA TYR 17 HA TYR 17 2.924 4.742 -0.653
147 HB2 TYR 17 2HB TYR 17 4.121 3.066 -1.946
148 HB3 TYR 17 1HB TYR 17 3.501 1.783 -0.914
149 HD1 TYR 17 1HD TYR 17 1.411 0.764 -1.377
150 HD2 TYR 17 2HD TYR 17 2.470 4.368 -3.390
151 HE1 TYR 17 1HE TYR 17 -0.540 0.507 -2.854
152 HE2 TYR 17 2HE TYR 17 0.520 4.119 -4.870
153 HH TYR 17 HH TYR 17 -0.950 2.264 -5.698
154 H ALA 18 H ALA 18 2.775 1.967 1.548
155 HA ALA 18 HA ALA 18 -0.020 1.662 1.551
156 HB1 ALA 18 1HB ALA 18 1.460 -0.078 2.379
157 HB2 ALA 18 2HB ALA 18 0.306 0.387 3.630
158 HB3 ALA 18 3HB ALA 18 1.974 0.965 3.707
159 H GLU 19 H GLU 19 2.118 3.530 3.702
160 HA GLU 19 HA GLU 19 0.094 4.367 5.481
161 HB2 GLU 19 1HB GLU 19 2.531 4.428 5.980
162 HB3 GLU 19 2HB GLU 19 2.707 5.762 4.847
163 HG2 GLU 19 1HG GLU 19 1.310 7.173 6.214
164 HG3 GLU 19 2HG GLU 19 0.959 5.831 7.302
165 H GLU 20 H GLU 20 1.550 5.945 2.647
166 HA GLU 20 HA GLU 20 0.044 8.309 2.701
167 HB2 GLU 20 1HB GLU 20 1.053 6.822 0.257
168 HB3 GLU 20 2HB GLU 20 0.559 8.509 0.307
169 HG2 GLU 20 1HG GLU 20 2.946 7.278 1.673
170 HG3 GLU 20 2HG GLU 20 2.954 8.381 0.300
171 H LEU 21 H LEU 21 -0.532 5.251 1.029
172 HA LEU 21 HA LEU 21 -2.949 5.895 -0.209
173 HB2 LEU 21 1HB LEU 21 -1.506 3.914 -0.683
174 HB3 LEU 21 2HB LEU 21 -2.054 3.193 0.817
175 HG LEU 21 HG LEU 21 -4.326 3.044 -0.029
176 HD11 LEU 21 1HD1 LEU 21 -3.239 4.364 -2.520
177 HD12 LEU 21 2HD1 LEU 21 -4.427 5.030 -1.400
178 HD13 LEU 21 3HD1 LEU 21 -4.833 3.623 -2.379
179 HD21 LEU 21 1HD2 LEU 21 -3.954 1.399 -1.808
180 HD22 LEU 21 2HD2 LEU 21 -2.803 1.195 -0.487
181 HD23 LEU 21 3HD2 LEU 21 -2.295 1.965 -1.992
182 H SER 22 H SER 22 -2.239 4.771 3.045
183 HA SER 22 HA SER 22 -4.913 4.209 3.800
184 HB2 SER 22 1HB SER 22 -2.930 3.299 4.989
185 HB3 SER 22 2HB SER 22 -2.553 4.919 5.573
186 HG SER 22 HG SER 22 -5.089 3.783 6.051
187 H ARG 23 H ARG 23 -2.821 7.078 4.284
188 HA ARG 23 HA ARG 23 -4.898 8.585 5.574
189 HB2 ARG 23 1HB ARG 23 -3.403 10.514 5.360
190 HB3 ARG 23 2HB ARG 23 -2.536 9.119 5.984
191 HG2 ARG 23 1HG ARG 23 -1.433 8.757 3.915
192 HG3 ARG 23 2HG ARG 23 -2.498 9.879 3.070
193 HD2 ARG 23 1HD ARG 23 -0.263 10.831 3.478
194 HD3 ARG 23 2HD ARG 23 -1.541 11.752 4.269
195 HE ARG 23 HE ARG 23 -0.875 10.537 6.356
196 HH11 ARG 23 1HH1 ARG 23 1.428 10.949 3.744
197 HH12 ARG 23 2HH1 ARG 23 2.805 10.909 4.792
198 HH21 ARG 23 1HH2 ARG 23 0.936 10.515 7.727
199 HH22 ARG 23 2HH2 ARG 23 2.528 10.682 7.059
200 H ARG 24 H ARG 24 -4.155 7.826 2.348
201 HA ARG 24 HA ARG 24 -5.278 10.196 1.146
202 HB2 ARG 24 1HB ARG 24 -3.423 8.741 0.177
203 HB3 ARG 24 2HB ARG 24 -4.668 7.564 -0.209
204 HG2 ARG 24 1HG ARG 24 -4.157 8.884 -2.154
205 HG3 ARG 24 2HG ARG 24 -5.797 9.251 -1.612
206 HD2 ARG 24 1HD ARG 24 -5.103 11.323 -0.652
207 HD3 ARG 24 2HD ARG 24 -3.398 10.912 -0.842
208 HE ARG 24 HE ARG 24 -4.755 10.942 -3.341
209 HH11 ARG 24 1HH1 ARG 24 -3.397 13.089 -0.914
210 HH12 ARG 24 2HH1 ARG 24 -2.978 14.311 -2.075
211 HH21 ARG 24 1HH2 ARG 24 -4.191 12.551 -4.845
212 HH22 ARG 24 2HH2 ARG 24 -3.428 14.013 -4.293
213 H THR 25 H THR 25 -6.216 6.760 1.274
214 HA THR 25 HA THR 25 -8.955 7.542 0.510
215 HB THR 25 HB THR 25 -7.585 4.870 0.093
216 HG1 THR 25 1HG THR 25 -7.936 7.146 -1.555
217 HG21 THR 25 1HG2 THR 25 -9.509 4.345 -1.324
218 HG22 THR 25 2HG2 THR 25 -10.226 5.912 -0.953
219 HG23 THR 25 3HG2 THR 25 -10.039 4.707 0.319
220 H GLY 26 H GLY 26 -10.247 7.558 2.233
221 HA2 GLY 26 1HA GLY 26 -9.749 6.091 4.633
222 HA3 GLY 26 2HA GLY 26 -11.195 7.021 4.256
223 H CYS 27 H CYS 27 -9.567 3.994 3.437
224 HA CYS 27 HA CYS 27 -12.071 2.521 3.616
225 HB2 CYS 27 2HB CYS 27 -10.437 2.704 1.070
226 HB3 CYS 27 1HB CYS 27 -11.654 1.471 1.358
227 H GLU 28 H GLU 28 -11.133 0.121 2.440
228 HA GLU 28 HA GLU 28 -8.783 -0.491 4.132
229 HB2 GLU 28 1HB GLU 28 -10.851 -1.687 4.814
230 HB3 GLU 28 2HB GLU 28 -10.969 -2.380 3.202
231 HG2 GLU 28 1HG GLU 28 -10.039 -3.973 4.787
232 HG3 GLU 28 2HG GLU 28 -8.868 -3.568 3.534
233 H VAL 29 H VAL 29 -7.069 -1.594 3.186
234 HA VAL 29 HA VAL 29 -7.259 -2.332 0.392
235 HB VAL 29 HB VAL 29 -6.873 0.082 0.248
236 HG11 VAL 29 1HG1 VAL 29 -4.325 -0.434 1.793
237 HG12 VAL 29 2HG1 VAL 29 -5.743 0.431 2.384
238 HG13 VAL 29 3HG1 VAL 29 -4.796 1.098 1.054
239 HG21 VAL 29 1HG2 VAL 29 -4.953 0.040 -1.244
240 HG22 VAL 29 2HG2 VAL 29 -5.926 -1.413 -1.468
241 HG23 VAL 29 3HG2 VAL 29 -4.419 -1.492 -0.553
242 H GLU 30 H GLU 30 -5.734 -3.706 -0.271
243 HA GLU 30 HA GLU 30 -3.669 -4.556 1.650
244 HB2 GLU 30 1HB GLU 30 -5.358 -6.292 1.184
245 HB3 GLU 30 2HB GLU 30 -5.077 -6.116 -0.544
246 HG2 GLU 30 1HG GLU 30 -3.974 -8.095 0.320
247 HG3 GLU 30 2HG GLU 30 -2.793 -6.924 -0.270
248 H VAL 31 H VAL 31 -1.571 -4.542 0.927
249 HA VAL 31 HA VAL 31 -1.156 -3.722 -1.871
250 HB VAL 31 HB VAL 31 -0.841 -1.800 -0.327
251 HG11 VAL 31 1HG1 VAL 31 1.066 -1.717 1.191
252 HG12 VAL 31 2HG1 VAL 31 1.459 -3.394 0.815
253 HG13 VAL 31 3HG1 VAL 31 -0.047 -3.006 1.649
254 HG21 VAL 31 1HG2 VAL 31 1.364 -1.106 -1.190
255 HG22 VAL 31 2HG2 VAL 31 0.348 -1.832 -2.433
256 HG23 VAL 31 3HG2 VAL 31 1.662 -2.764 -1.716
257 H GLU 32 H GLU 32 0.545 -4.640 -2.923
258 HA GLU 32 HA GLU 32 1.771 -6.943 -1.536
259 HB2 GLU 32 1HB GLU 32 0.102 -6.892 -3.774
260 HB3 GLU 32 2HB GLU 32 1.704 -7.056 -4.473
261 HG2 GLU 32 1HG GLU 32 0.569 -8.867 -2.349
262 HG3 GLU 32 2HG GLU 32 0.537 -9.204 -4.079
263 H CYS 33 H CYS 33 3.965 -7.367 -1.900
264 HA CYS 33 HA CYS 33 5.471 -5.085 -3.023
265 HB2 CYS 33 2HB CYS 33 6.209 -6.917 -0.729
266 HB3 CYS 33 1HB CYS 33 7.225 -5.627 -1.366
267 H GLU 34 H GLU 34 6.486 -5.591 -4.842
268 HA GLU 34 HA GLU 34 7.485 -8.341 -5.195
269 HB2 GLU 34 1HB GLU 34 6.731 -6.337 -7.335
270 HB3 GLU 34 2HB GLU 34 7.284 -7.983 -7.605
271 HG2 GLU 34 1HG GLU 34 5.297 -8.825 -6.413
272 HG3 GLU 34 2HG GLU 34 4.737 -7.164 -6.232
273 H THR 35 H THR 35 9.514 -8.654 -6.001
274 HA THR 35 HA THR 35 11.255 -6.468 -6.699
275 HB THR 35 HB THR 35 11.966 -8.177 -4.289
276 HG1 THR 35 1HG THR 35 10.705 -5.685 -4.504
277 HG21 THR 35 1HG2 THR 35 13.840 -6.621 -4.042
278 HG22 THR 35 2HG2 THR 35 13.320 -5.751 -5.485
279 HG23 THR 35 3HG2 THR 35 13.887 -7.415 -5.615
Start of MODEL 11
1 H1 CYS 1 1H CYS 1 -15.294 0.275 0.492
2 H2 CYS 1 2H CYS 1 -14.487 -0.937 1.357
3 H3 CYS 1 3H CYS 1 -14.799 -1.136 -0.294
4 HA CYS 1 HA CYS 1 -13.312 0.614 -0.871
5 HB2 CYS 1 2HB CYS 1 -13.579 1.168 1.997
6 HB3 CYS 1 1HB CYS 1 -11.923 1.244 1.431
7 H LYS 2 H LYS 2 -13.349 -2.310 -0.403
8 HA LYS 2 HA LYS 2 -10.760 -2.980 0.675
9 HB2 LYS 2 1HB LYS 2 -12.821 -4.447 0.860
10 HB3 LYS 2 2HB LYS 2 -12.659 -4.779 -0.858
11 HG2 LYS 2 1HG LYS 2 -10.344 -5.289 0.967
12 HG3 LYS 2 2HG LYS 2 -11.688 -6.431 0.923
13 HD2 LYS 2 1HD LYS 2 -10.046 -5.568 -1.473
14 HD3 LYS 2 2HD LYS 2 -9.839 -7.081 -0.591
15 HE2 LYS 2 1HE LYS 2 -12.219 -7.645 -1.160
16 HE3 LYS 2 2HE LYS 2 -12.257 -6.210 -2.182
17 HZ1 LYS 2 1HZ LYS 2 -11.787 -8.155 -3.494
18 HZ2 LYS 2 2HZ LYS 2 -10.466 -8.558 -2.524
19 HZ3 LYS 2 3HZ LYS 2 -10.420 -7.161 -3.476
20 H GLN 3 H GLN 3 -8.999 -2.567 -0.455
21 HA GLN 3 HA GLN 3 -9.012 -3.073 -3.358
22 HB2 GLN 3 1HB GLN 3 -9.234 -0.692 -3.128
23 HB3 GLN 3 2HB GLN 3 -7.964 -0.636 -1.919
24 HG2 GLN 3 1HG GLN 3 -6.320 -1.278 -3.617
25 HG3 GLN 3 2HG GLN 3 -7.597 -1.327 -4.831
26 HE21 GLN 3 1HE2 GLN 3 -6.007 2.208 -3.598
27 HE22 GLN 3 2HE2 GLN 3 -5.664 0.724 -2.780
28 H ARG 4 H ARG 4 -7.083 -3.761 -4.228
29 HA ARG 4 HA ARG 4 -4.835 -4.241 -2.385
30 HB2 ARG 4 1HB ARG 4 -6.147 -6.156 -4.303
31 HB3 ARG 4 2HB ARG 4 -4.445 -6.337 -3.898
32 HG2 ARG 4 1HG ARG 4 -5.005 -6.600 -1.546
33 HG3 ARG 4 2HG ARG 4 -6.716 -6.346 -1.908
34 HD2 ARG 4 1HD ARG 4 -6.007 -8.755 -1.645
35 HD3 ARG 4 2HD ARG 4 -6.850 -8.366 -3.146
36 HE ARG 4 HE ARG 4 -3.901 -8.538 -3.029
37 HH11 ARG 4 1HH1 ARG 4 -6.970 -9.481 -4.437
38 HH12 ARG 4 2HH1 ARG 4 -6.244 -10.358 -5.746
39 HH21 ARG 4 1HH2 ARG 4 -2.945 -9.694 -4.732
40 HH22 ARG 4 2HH2 ARG 4 -3.946 -10.499 -5.902
41 H ARG 5 H ARG 5 -2.896 -3.690 -3.151
42 HA ARG 5 HA ARG 5 -2.611 -3.066 -6.016
43 HB2 ARG 5 1HB ARG 5 -1.617 -1.400 -3.681
44 HB3 ARG 5 2HB ARG 5 -1.171 -1.125 -5.360
45 HG2 ARG 5 1HG ARG 5 -3.969 -0.965 -4.242
46 HG3 ARG 5 2HG ARG 5 -2.925 0.412 -4.608
47 HD2 ARG 5 1HD ARG 5 -2.961 -0.085 -6.946
48 HD3 ARG 5 2HD ARG 5 -3.745 -1.640 -6.665
49 HE ARG 5 HE ARG 5 -5.312 0.554 -5.719
50 HH11 ARG 5 1HH1 ARG 5 -4.411 -1.202 -8.601
51 HH12 ARG 5 2HH1 ARG 5 -5.901 -0.871 -9.430
52 HH21 ARG 5 1HH2 ARG 5 -7.305 0.975 -6.782
53 HH22 ARG 5 2HH2 ARG 5 -7.553 0.352 -8.386
54 H ARG 6 H ARG 6 -0.703 -3.695 -6.919
55 HA ARG 6 HA ARG 6 1.229 -4.989 -5.117
56 HB2 ARG 6 1HB ARG 6 1.816 -6.516 -6.884
57 HB3 ARG 6 2HB ARG 6 0.075 -6.561 -6.658
58 HG2 ARG 6 1HG ARG 6 -0.166 -5.062 -8.627
59 HG3 ARG 6 2HG ARG 6 1.577 -5.182 -8.880
60 HD2 ARG 6 1HD ARG 6 0.520 -6.775 -10.320
61 HD3 ARG 6 2HD ARG 6 1.305 -7.668 -9.017
62 HE ARG 6 HE ARG 6 -1.590 -7.115 -9.145
63 HH11 ARG 6 1HH1 ARG 6 1.082 -9.187 -8.202
64 HH12 ARG 6 2HH1 ARG 6 0.047 -10.452 -7.617
65 HH21 ARG 6 1HH2 ARG 6 -2.938 -8.778 -8.388
66 HH22 ARG 6 2HH2 ARG 6 -2.238 -10.225 -7.728
67 H TYR 7 H TYR 7 3.327 -4.439 -5.253
68 HA TYR 7 HA TYR 7 4.002 -2.191 -7.048
69 HB2 TYR 7 2HB TYR 7 3.242 -1.525 -4.677
70 HB3 TYR 7 1HB TYR 7 4.729 -2.272 -4.108
71 HD1 TYR 7 1HD TYR 7 6.863 -1.165 -4.413
72 HD2 TYR 7 2HD TYR 7 3.306 0.525 -6.032
73 HE1 TYR 7 1HE TYR 7 8.056 0.946 -4.816
74 HE2 TYR 7 2HE TYR 7 4.495 2.639 -6.441
75 HH TYR 7 HH TYR 7 7.921 2.900 -6.182
76 H ARG 8 H ARG 8 6.384 -1.807 -7.144
77 HA ARG 8 HA ARG 8 7.965 -4.204 -6.460
78 HB2 ARG 8 1HB ARG 8 9.414 -3.675 -8.412
79 HB3 ARG 8 2HB ARG 8 7.766 -4.084 -8.868
80 HG2 ARG 8 1HG ARG 8 7.254 -1.707 -9.168
81 HG3 ARG 8 2HG ARG 8 8.910 -1.295 -8.714
82 HD2 ARG 8 1HD ARG 8 8.114 -2.994 -11.080
83 HD3 ARG 8 2HD ARG 8 8.573 -1.294 -11.149
84 HE ARG 8 HE ARG 8 10.688 -2.519 -9.926
85 HH11 ARG 8 1HH1 ARG 8 8.994 -2.993 -12.947
86 HH12 ARG 8 2HH1 ARG 8 10.404 -3.534 -13.804
87 HH21 ARG 8 1HH2 ARG 8 12.552 -3.222 -11.051
88 HH22 ARG 8 2HH2 ARG 8 12.425 -3.654 -12.729
89 H GLY 9 H GLY 9 9.297 -3.781 -4.835
90 HA2 GLY 9 1HA GLY 9 11.324 -1.992 -4.717
91 HA3 GLY 9 2HA GLY 9 9.955 -1.058 -4.130
92 H SER 10 H SER 10 11.546 -1.040 -2.264
93 HA SER 10 HA SER 10 11.719 -3.448 -0.680
94 HB2 SER 10 1HB SER 10 12.561 -0.619 0.019
95 HB3 SER 10 2HB SER 10 13.076 -2.103 0.824
96 HG SER 10 HG SER 10 14.488 -2.438 -0.711
97 H GLU 11 H GLU 11 11.198 -3.262 1.725
98 HA GLU 11 HA GLU 11 8.448 -2.993 2.049
99 HB2 GLU 11 1HB GLU 11 8.897 -3.200 4.501
100 HB3 GLU 11 2HB GLU 11 9.644 -4.448 3.512
101 HG2 GLU 11 1HG GLU 11 11.795 -3.368 3.691
102 HG3 GLU 11 2HG GLU 11 11.076 -2.017 4.572
103 H GLU 12 H GLU 12 10.978 -0.597 2.431
104 HA GLU 12 HA GLU 12 9.636 1.374 3.814
105 HB2 GLU 12 1HB GLU 12 11.645 1.413 1.563
106 HB3 GLU 12 2HB GLU 12 11.038 2.871 2.283
107 HG2 GLU 12 1HG GLU 12 13.128 2.405 3.295
108 HG3 GLU 12 2HG GLU 12 11.873 2.088 4.489
109 H GLU 13 H GLU 13 9.786 0.756 0.321
110 HA GLU 13 HA GLU 13 7.951 2.712 -0.489
111 HB2 GLU 13 1HB GLU 13 8.507 0.048 -1.832
112 HB3 GLU 13 2HB GLU 13 7.820 1.478 -2.591
113 HG2 GLU 13 1HG GLU 13 10.622 1.171 -1.526
114 HG3 GLU 13 2HG GLU 13 10.132 1.240 -3.218
115 H CYS 14 H CYS 14 7.540 -0.715 0.294
116 HA CYS 14 HA CYS 14 4.858 -1.023 -0.391
117 HB2 CYS 14 2HB CYS 14 6.131 -2.383 1.986
118 HB3 CYS 14 1HB CYS 14 4.904 -3.019 0.894
119 H ARG 15 H ARG 15 6.193 -0.362 2.855
120 HA ARG 15 HA ARG 15 3.618 -0.160 4.052
121 HB2 ARG 15 1HB ARG 15 6.324 0.659 5.139
122 HB3 ARG 15 2HB ARG 15 4.843 0.534 6.083
123 HG2 ARG 15 1HG ARG 15 4.724 -1.877 5.494
124 HG3 ARG 15 2HG ARG 15 6.287 -1.719 4.690
125 HD2 ARG 15 1HD ARG 15 6.606 -2.608 6.917
126 HD3 ARG 15 2HD ARG 15 7.280 -0.981 6.827
127 HE ARG 15 HE ARG 15 4.877 -0.435 7.799
128 HH11 ARG 15 1HH1 ARG 15 7.059 -3.041 8.700
129 HH12 ARG 15 2HH1 ARG 15 6.536 -3.059 10.357
130 HH21 ARG 15 1HH2 ARG 15 4.200 -0.482 9.989
131 HH22 ARG 15 2HH2 ARG 15 4.931 -1.615 11.084
132 H LYS 16 H LYS 16 5.951 2.231 2.871
133 HA LYS 16 HA LYS 16 4.571 4.489 3.905
134 HB2 LYS 16 1HB LYS 16 6.601 4.168 1.700
135 HB3 LYS 16 2HB LYS 16 5.878 5.732 2.065
136 HG2 LYS 16 1HG LYS 16 7.458 4.024 3.991
137 HG3 LYS 16 2HG LYS 16 8.044 5.469 3.161
138 HD2 LYS 16 1HD LYS 16 6.316 6.811 4.293
139 HD3 LYS 16 2HD LYS 16 5.746 5.366 5.127
140 HE2 LYS 16 1HE LYS 16 7.874 5.151 6.278
141 HE3 LYS 16 2HE LYS 16 8.524 6.527 5.385
142 HZ1 LYS 16 1HZ LYS 16 7.820 7.187 7.588
143 HZ2 LYS 16 2HZ LYS 16 6.254 6.615 7.299
144 HZ3 LYS 16 3HZ LYS 16 6.848 7.936 6.424
145 H TYR 17 H TYR 17 4.449 2.809 0.787
146 HA TYR 17 HA TYR 17 2.623 4.494 -0.502
147 HB2 TYR 17 2HB TYR 17 3.852 2.709 -1.667
148 HB3 TYR 17 1HB TYR 17 2.957 1.490 -0.774
149 HD1 TYR 17 1HD TYR 17 0.886 0.697 -1.569
150 HD2 TYR 17 2HD TYR 17 2.559 4.229 -3.270
151 HE1 TYR 17 1HE TYR 17 -0.833 0.656 -3.326
152 HE2 TYR 17 2HE TYR 17 0.845 4.191 -5.032
153 HH TYR 17 HH TYR 17 -0.643 2.575 -6.124
154 H ALA 18 H ALA 18 2.056 1.563 1.447
155 HA ALA 18 HA ALA 18 -0.746 1.603 1.412
156 HB1 ALA 18 1HB ALA 18 -0.617 0.196 3.411
157 HB2 ALA 18 2HB ALA 18 1.080 0.627 3.612
158 HB3 ALA 18 3HB ALA 18 0.568 -0.302 2.207
159 H GLU 19 H GLU 19 1.523 3.069 3.704
160 HA GLU 19 HA GLU 19 -0.321 4.073 5.545
161 HB2 GLU 19 1HB GLU 19 2.075 3.904 6.005
162 HB3 GLU 19 2HB GLU 19 2.417 5.124 4.786
163 HG2 GLU 19 1HG GLU 19 1.187 6.782 6.124
164 HG3 GLU 19 2HG GLU 19 0.887 5.550 7.348
165 H GLU 20 H GLU 20 1.286 5.745 2.851
166 HA GLU 20 HA GLU 20 0.009 8.223 3.251
167 HB2 GLU 20 1HB GLU 20 1.346 7.076 0.785
168 HB3 GLU 20 2HB GLU 20 0.859 8.759 0.959
169 HG2 GLU 20 1HG GLU 20 2.362 8.982 2.891
170 HG3 GLU 20 2HG GLU 20 2.861 7.306 2.686
171 H LEU 21 H LEU 21 -0.756 5.486 1.147
172 HA LEU 21 HA LEU 21 -2.933 6.649 -0.210
173 HB2 LEU 21 1HB LEU 21 -1.657 4.428 -0.644
174 HB3 LEU 21 2HB LEU 21 -2.777 3.719 0.499
175 HG LEU 21 HG LEU 21 -3.611 5.105 -2.065
176 HD11 LEU 21 1HD1 LEU 21 -4.033 2.872 -2.957
177 HD12 LEU 21 2HD1 LEU 21 -3.362 2.153 -1.492
178 HD13 LEU 21 3HD1 LEU 21 -2.327 3.099 -2.564
179 HD21 LEU 21 1HD2 LEU 21 -5.196 3.396 -0.138
180 HD22 LEU 21 2HD2 LEU 21 -5.783 4.029 -1.678
181 HD23 LEU 21 3HD2 LEU 21 -5.362 5.135 -0.372
182 H SER 22 H SER 22 -2.792 4.703 2.760
183 HA SER 22 HA SER 22 -5.580 4.582 3.182
184 HB2 SER 22 1HB SER 22 -3.953 3.008 4.199
185 HB3 SER 22 2HB SER 22 -3.349 4.312 5.224
186 HG SER 22 HG SER 22 -5.429 4.449 6.152
187 H ARG 23 H ARG 23 -3.118 6.896 4.263
188 HA ARG 23 HA ARG 23 -4.966 8.268 6.000
189 HB2 ARG 23 1HB ARG 23 -3.189 9.845 6.432
190 HB3 ARG 23 2HB ARG 23 -2.533 8.215 6.489
191 HG2 ARG 23 1HG ARG 23 -1.659 8.519 4.204
192 HG3 ARG 23 2HG ARG 23 -2.257 10.181 4.221
193 HD2 ARG 23 1HD ARG 23 -0.224 9.011 6.128
194 HD3 ARG 23 2HD ARG 23 0.138 10.062 4.761
195 HE ARG 23 HE ARG 23 -1.722 11.314 6.498
196 HH11 ARG 23 1HH1 ARG 23 1.671 10.471 6.269
197 HH12 ARG 23 2HH1 ARG 23 2.191 11.768 7.305
198 HH21 ARG 23 1HH2 ARG 23 -1.030 13.009 7.882
199 HH22 ARG 23 2HH2 ARG 23 0.663 13.202 8.212
200 H ARG 24 H ARG 24 -3.940 8.537 2.661
201 HA ARG 24 HA ARG 24 -5.082 11.136 2.254
202 HB2 ARG 24 1HB ARG 24 -3.352 10.150 0.738
203 HB3 ARG 24 2HB ARG 24 -4.550 8.982 0.186
204 HG2 ARG 24 1HG ARG 24 -5.962 10.880 -0.593
205 HG3 ARG 24 2HG ARG 24 -4.656 11.981 -0.154
206 HD2 ARG 24 1HD ARG 24 -4.501 11.573 -2.498
207 HD3 ARG 24 2HD ARG 24 -3.173 10.716 -1.722
208 HE ARG 24 HE ARG 24 -4.104 8.713 -2.363
209 HH11 ARG 24 1HH1 ARG 24 -6.403 11.296 -2.932
210 HH12 ARG 24 2HH1 ARG 24 -7.478 10.306 -3.864
211 HH21 ARG 24 1HH2 ARG 24 -5.510 7.412 -3.602
212 HH22 ARG 24 2HH2 ARG 24 -6.964 8.099 -4.259
213 H THR 25 H THR 25 -6.154 7.832 1.482
214 HA THR 25 HA THR 25 -8.921 8.828 1.253
215 HB THR 25 HB THR 25 -7.689 6.518 -0.284
216 HG1 THR 25 1HG THR 25 -8.292 9.208 -0.984
217 HG21 THR 25 1HG2 THR 25 -10.084 6.196 0.145
218 HG22 THR 25 2HG2 THR 25 -9.797 6.552 -1.559
219 HG23 THR 25 3HG2 THR 25 -10.420 7.808 -0.490
220 H GLY 26 H GLY 26 -10.313 7.972 2.649
221 HA2 GLY 26 1HA GLY 26 -9.440 6.057 4.595
222 HA3 GLY 26 2HA GLY 26 -11.029 6.797 4.491
223 H CYS 27 H CYS 27 -8.987 4.284 3.108
224 HA CYS 27 HA CYS 27 -11.358 2.574 2.843
225 HB2 CYS 27 2HB CYS 27 -9.223 2.982 0.733
226 HB3 CYS 27 1HB CYS 27 -10.388 1.665 0.703
227 H GLU 28 H GLU 28 -10.453 0.201 2.257
228 HA GLU 28 HA GLU 28 -8.211 -0.268 4.099
229 HB2 GLU 28 1HB GLU 28 -9.188 -2.549 4.445
230 HB3 GLU 28 2HB GLU 28 -10.160 -1.238 5.081
231 HG2 GLU 28 1HG GLU 28 -10.735 -2.437 2.396
232 HG3 GLU 28 2HG GLU 28 -11.325 -3.184 3.873
233 H VAL 29 H VAL 29 -6.493 -0.441 2.899
234 HA VAL 29 HA VAL 29 -6.638 -1.920 0.350
235 HB VAL 29 HB VAL 29 -4.692 0.283 1.092
236 HG11 VAL 29 1HG1 VAL 29 -3.792 -1.280 -0.552
237 HG12 VAL 29 2HG1 VAL 29 -4.125 0.281 -1.299
238 HG13 VAL 29 3HG1 VAL 29 -5.226 -1.073 -1.559
239 HG21 VAL 29 1HG2 VAL 29 -5.958 1.723 -0.437
240 HG22 VAL 29 2HG2 VAL 29 -6.952 1.187 0.916
241 HG23 VAL 29 3HG2 VAL 29 -7.144 0.441 -0.664
242 H GLU 30 H GLU 30 -5.204 -3.506 -0.015
243 HA GLU 30 HA GLU 30 -3.096 -3.993 1.987
244 HB2 GLU 30 1HB GLU 30 -4.786 -5.794 1.873
245 HB3 GLU 30 2HB GLU 30 -4.487 -5.969 0.149
246 HG2 GLU 30 1HG GLU 30 -3.372 -7.718 1.406
247 HG3 GLU 30 2HG GLU 30 -2.195 -6.677 0.607
248 H VAL 31 H VAL 31 -1.016 -4.163 1.258
249 HA VAL 31 HA VAL 31 -0.605 -3.708 -1.631
250 HB VAL 31 HB VAL 31 1.087 -2.603 0.630
251 HG11 VAL 31 1HG1 VAL 31 2.240 -1.333 -1.128
252 HG12 VAL 31 2HG1 VAL 31 1.258 -2.129 -2.357
253 HG13 VAL 31 3HG1 VAL 31 2.392 -3.070 -1.390
254 HG21 VAL 31 1HG2 VAL 31 -1.094 -1.491 0.510
255 HG22 VAL 31 2HG2 VAL 31 -0.847 -1.173 -1.208
256 HG23 VAL 31 3HG2 VAL 31 0.198 -0.408 -0.011
257 H GLU 32 H GLU 32 0.404 -5.300 -2.577
258 HA GLU 32 HA GLU 32 2.288 -6.966 -1.041
259 HB2 GLU 32 1HB GLU 32 1.784 -8.708 -2.820
260 HB3 GLU 32 2HB GLU 32 0.465 -8.339 -1.719
261 HG2 GLU 32 1HG GLU 32 -0.455 -6.798 -3.473
262 HG3 GLU 32 2HG GLU 32 0.778 -7.414 -4.570
263 H CYS 33 H CYS 33 4.340 -6.592 -1.540
264 HA CYS 33 HA CYS 33 4.926 -5.374 -4.157
265 HB2 CYS 33 2HB CYS 33 6.914 -4.349 -2.912
266 HB3 CYS 33 1HB CYS 33 5.315 -3.716 -2.532
267 H GLU 34 H GLU 34 6.627 -6.041 -5.322
268 HA GLU 34 HA GLU 34 8.048 -8.468 -4.437
269 HB2 GLU 34 1HB GLU 34 7.564 -7.536 -7.285
270 HB3 GLU 34 2HB GLU 34 8.201 -9.092 -6.774
271 HG2 GLU 34 1HG GLU 34 5.407 -8.128 -6.178
272 HG3 GLU 34 2HG GLU 34 5.835 -9.131 -7.560
273 H THR 35 H THR 35 10.225 -8.592 -5.820
274 HA THR 35 HA THR 35 11.609 -6.074 -5.289
275 HB THR 35 HB THR 35 12.652 -7.986 -4.279
276 HG1 THR 35 1HG THR 35 14.144 -7.172 -6.571
277 HG21 THR 35 1HG2 THR 35 13.527 -9.890 -5.560
278 HG22 THR 35 2HG2 THR 35 12.820 -9.228 -7.034
279 HG23 THR 35 3HG2 THR 35 11.774 -9.765 -5.720
Start of MODEL 12
1 H1 CYS 1 1H CYS 1 -15.842 0.773 1.719
2 H2 CYS 1 2H CYS 1 -14.539 0.598 2.781
3 H3 CYS 1 3H CYS 1 -15.074 -0.725 1.877
4 HA CYS 1 HA CYS 1 -14.394 0.316 -0.156
5 HB2 CYS 1 2HB CYS 1 -14.807 2.634 0.595
6 HB3 CYS 1 1HB CYS 1 -13.405 2.538 1.649
7 H LYS 2 H LYS 2 -13.040 -1.316 -0.401
8 HA LYS 2 HA LYS 2 -10.368 -1.136 0.777
9 HB2 LYS 2 1HB LYS 2 -11.502 -2.676 2.271
10 HB3 LYS 2 2HB LYS 2 -12.113 -3.613 0.913
11 HG2 LYS 2 1HG LYS 2 -9.805 -4.227 0.316
12 HG3 LYS 2 2HG LYS 2 -9.215 -3.322 1.709
13 HD2 LYS 2 1HD LYS 2 -11.093 -5.692 1.846
14 HD3 LYS 2 2HD LYS 2 -9.351 -5.766 2.109
15 HE2 LYS 2 1HE LYS 2 -9.655 -4.112 3.978
16 HE3 LYS 2 2HE LYS 2 -11.396 -4.298 3.775
17 HZ1 LYS 2 1HZ LYS 2 -10.511 -5.718 5.533
18 HZ2 LYS 2 2HZ LYS 2 -9.505 -6.496 4.422
19 HZ3 LYS 2 3HZ LYS 2 -11.186 -6.637 4.286
20 H GLN 3 H GLN 3 -8.754 -1.922 -0.520
21 HA GLN 3 HA GLN 3 -9.389 -3.533 -2.864
22 HB2 GLN 3 1HB GLN 3 -8.374 -2.006 -4.461
23 HB3 GLN 3 2HB GLN 3 -9.706 -1.195 -3.645
24 HG2 GLN 3 1HG GLN 3 -8.122 -0.030 -2.194
25 HG3 GLN 3 2HG GLN 3 -6.781 -0.862 -2.980
26 HE21 GLN 3 1HE2 GLN 3 -8.522 2.376 -4.684
27 HE22 GLN 3 2HE2 GLN 3 -9.208 1.604 -3.291
28 H ARG 4 H ARG 4 -7.351 -4.244 -3.978
29 HA ARG 4 HA ARG 4 -4.972 -3.934 -2.276
30 HB2 ARG 4 1HB ARG 4 -4.257 -6.247 -2.969
31 HB3 ARG 4 2HB ARG 4 -5.608 -6.182 -1.852
32 HG2 ARG 4 1HG ARG 4 -6.141 -6.390 -4.783
33 HG3 ARG 4 2HG ARG 4 -5.634 -7.822 -3.882
34 HD2 ARG 4 1HD ARG 4 -8.043 -6.087 -3.333
35 HD3 ARG 4 2HD ARG 4 -8.039 -7.742 -3.946
36 HE ARG 4 HE ARG 4 -6.696 -7.885 -1.561
37 HH11 ARG 4 1HH1 ARG 4 -9.868 -6.779 -2.560
38 HH12 ARG 4 2HH1 ARG 4 -10.625 -7.208 -1.058
39 HH21 ARG 4 1HH2 ARG 4 -7.678 -8.429 0.419
40 HH22 ARG 4 2HH2 ARG 4 -9.375 -8.138 0.650
41 H ARG 5 H ARG 5 -3.032 -3.767 -3.265
42 HA ARG 5 HA ARG 5 -2.935 -3.699 -6.200
43 HB2 ARG 5 1HB ARG 5 -1.848 -1.549 -4.347
44 HB3 ARG 5 2HB ARG 5 -1.561 -1.625 -6.079
45 HG2 ARG 5 1HG ARG 5 -4.282 -1.315 -4.812
46 HG3 ARG 5 2HG ARG 5 -3.294 0.021 -5.406
47 HD2 ARG 5 1HD ARG 5 -3.354 -0.938 -7.662
48 HD3 ARG 5 2HD ARG 5 -4.332 -2.282 -7.067
49 HE ARG 5 HE ARG 5 -6.022 -0.528 -6.464
50 HH11 ARG 5 1HH1 ARG 5 -3.745 0.007 -9.081
51 HH12 ARG 5 2HH1 ARG 5 -4.776 1.131 -9.901
52 HH21 ARG 5 1HH2 ARG 5 -7.366 0.933 -7.559
53 HH22 ARG 5 2HH2 ARG 5 -6.821 1.671 -9.031
54 H ARG 6 H ARG 6 -0.802 -4.140 -7.023
55 HA ARG 6 HA ARG 6 1.054 -5.117 -4.959
56 HB2 ARG 6 1HB ARG 6 1.976 -6.686 -6.560
57 HB3 ARG 6 2HB ARG 6 0.247 -6.933 -6.387
58 HG2 ARG 6 1HG ARG 6 -0.160 -5.859 -8.513
59 HG3 ARG 6 2HG ARG 6 1.556 -5.471 -8.675
60 HD2 ARG 6 1HD ARG 6 2.075 -7.889 -8.618
61 HD3 ARG 6 2HD ARG 6 0.348 -8.235 -8.551
62 HE ARG 6 HE ARG 6 0.196 -7.158 -10.780
63 HH11 ARG 6 1HH1 ARG 6 3.295 -8.380 -9.670
64 HH12 ARG 6 2HH1 ARG 6 3.876 -8.715 -11.272
65 HH21 ARG 6 1HH2 ARG 6 0.975 -7.596 -12.895
66 HH22 ARG 6 2HH2 ARG 6 2.577 -8.237 -13.105
67 H TYR 7 H TYR 7 2.972 -4.291 -4.811
68 HA TYR 7 HA TYR 7 3.692 -2.085 -6.640
69 HB2 TYR 7 2HB TYR 7 2.948 -1.469 -4.306
70 HB3 TYR 7 1HB TYR 7 4.298 -2.396 -3.674
71 HD1 TYR 7 1HD TYR 7 6.437 -1.402 -3.453
72 HD2 TYR 7 2HD TYR 7 3.428 0.569 -5.734
73 HE1 TYR 7 1HE TYR 7 7.839 0.614 -3.549
74 HE2 TYR 7 2HE TYR 7 4.827 2.588 -5.839
75 HH TYR 7 HH TYR 7 8.118 2.606 -4.907
76 H ARG 8 H ARG 8 6.128 -1.654 -6.627
77 HA ARG 8 HA ARG 8 7.694 -4.046 -5.976
78 HB2 ARG 8 1HB ARG 8 8.981 -3.885 -8.038
79 HB3 ARG 8 2HB ARG 8 7.279 -4.112 -8.398
80 HG2 ARG 8 1HG ARG 8 7.060 -1.735 -8.922
81 HG3 ARG 8 2HG ARG 8 8.771 -1.495 -8.548
82 HD2 ARG 8 1HD ARG 8 9.347 -3.115 -10.333
83 HD3 ARG 8 2HD ARG 8 7.636 -3.245 -10.735
84 HE ARG 8 HE ARG 8 9.070 -0.672 -10.912
85 HH11 ARG 8 1HH1 ARG 8 7.034 -3.150 -12.325
86 HH12 ARG 8 2HH1 ARG 8 6.837 -2.310 -13.834
87 HH21 ARG 8 1HH2 ARG 8 8.784 0.459 -12.893
88 HH22 ARG 8 2HH2 ARG 8 7.816 -0.251 -14.147
89 H GLY 9 H GLY 9 9.398 -3.617 -4.782
90 HA2 GLY 9 1HA GLY 9 11.274 -1.699 -4.850
91 HA3 GLY 9 2HA GLY 9 9.934 -0.830 -4.113
92 H SER 10 H SER 10 11.452 -0.616 -2.302
93 HA SER 10 HA SER 10 12.096 -3.025 -0.807
94 HB2 SER 10 1HB SER 10 13.307 -1.417 0.681
95 HB3 SER 10 2HB SER 10 13.820 -1.331 -1.004
96 HG SER 10 HG SER 10 13.433 0.745 0.010
97 H GLU 11 H GLU 11 11.825 -2.865 1.644
98 HA GLU 11 HA GLU 11 9.239 -2.909 2.523
99 HB2 GLU 11 1HB GLU 11 11.718 -2.079 4.052
100 HB3 GLU 11 2HB GLU 11 10.175 -2.424 4.816
101 HG2 GLU 11 1HG GLU 11 11.729 -4.403 3.164
102 HG3 GLU 11 2HG GLU 11 11.819 -4.282 4.920
103 H GLU 12 H GLU 12 11.458 -0.159 2.679
104 HA GLU 12 HA GLU 12 9.887 1.700 3.981
105 HB2 GLU 12 1HB GLU 12 12.243 2.063 3.522
106 HB3 GLU 12 2HB GLU 12 11.937 2.097 1.792
107 HG2 GLU 12 1HG GLU 12 10.576 4.147 2.117
108 HG3 GLU 12 2HG GLU 12 11.027 4.130 3.823
109 H GLU 13 H GLU 13 10.391 1.606 0.462
110 HA GLU 13 HA GLU 13 8.466 3.410 -0.322
111 HB2 GLU 13 1HB GLU 13 9.428 0.906 -1.727
112 HB3 GLU 13 2HB GLU 13 8.490 2.171 -2.507
113 HG2 GLU 13 1HG GLU 13 11.135 2.707 -1.182
114 HG3 GLU 13 2HG GLU 13 10.996 2.210 -2.867
115 H CYS 14 H CYS 14 8.137 -0.068 0.148
116 HA CYS 14 HA CYS 14 5.546 -0.379 -0.862
117 HB2 CYS 14 2HB CYS 14 7.106 -2.242 -0.510
118 HB3 CYS 14 1HB CYS 14 7.004 -2.013 1.232
119 H ARG 15 H ARG 15 6.588 -0.209 2.550
120 HA ARG 15 HA ARG 15 3.927 -0.398 3.512
121 HB2 ARG 15 1HB ARG 15 6.447 0.378 4.982
122 HB3 ARG 15 2HB ARG 15 4.909 -0.059 5.732
123 HG2 ARG 15 1HG ARG 15 5.064 -2.264 4.534
124 HG3 ARG 15 2HG ARG 15 6.704 -1.817 4.069
125 HD2 ARG 15 1HD ARG 15 7.276 -1.608 6.470
126 HD3 ARG 15 2HD ARG 15 5.653 -2.186 6.871
127 HE ARG 15 HE ARG 15 7.577 -3.757 5.291
128 HH11 ARG 15 1HH1 ARG 15 5.170 -3.563 7.828
129 HH12 ARG 15 2HH1 ARG 15 5.186 -5.270 8.135
130 HH21 ARG 15 1HH2 ARG 15 7.606 -5.975 5.694
131 HH22 ARG 15 2HH2 ARG 15 6.563 -6.651 6.909
132 H LYS 16 H LYS 16 6.179 2.305 3.053
133 HA LYS 16 HA LYS 16 4.692 4.348 4.150
134 HB2 LYS 16 1HB LYS 16 7.075 4.277 3.085
135 HB3 LYS 16 2HB LYS 16 6.238 4.638 1.580
136 HG2 LYS 16 1HG LYS 16 5.324 6.648 2.574
137 HG3 LYS 16 2HG LYS 16 6.148 6.267 4.082
138 HD2 LYS 16 1HD LYS 16 8.306 6.531 3.045
139 HD3 LYS 16 2HD LYS 16 7.570 6.703 1.451
140 HE2 LYS 16 1HE LYS 16 7.145 8.618 3.747
141 HE3 LYS 16 2HE LYS 16 8.321 8.855 2.456
142 HZ1 LYS 16 1HZ LYS 16 5.375 8.664 2.115
143 HZ2 LYS 16 2HZ LYS 16 6.490 8.846 0.860
144 HZ3 LYS 16 3HZ LYS 16 6.302 10.072 2.009
145 H TYR 17 H TYR 17 4.703 3.092 0.813
146 HA TYR 17 HA TYR 17 2.700 4.702 -0.261
147 HB2 TYR 17 2HB TYR 17 4.171 3.226 -1.596
148 HB3 TYR 17 1HB TYR 17 3.357 1.815 -0.934
149 HD1 TYR 17 1HD TYR 17 1.454 0.935 -2.010
150 HD2 TYR 17 2HD TYR 17 2.765 4.872 -2.987
151 HE1 TYR 17 1HE TYR 17 -0.156 1.005 -3.868
152 HE2 TYR 17 2HE TYR 17 1.157 4.950 -4.847
153 HH TYR 17 HH TYR 17 -0.045 3.317 -6.315
154 H ALA 18 H ALA 18 2.475 1.608 1.446
155 HA ALA 18 HA ALA 18 -0.262 1.135 1.151
156 HB1 ALA 18 1HB ALA 18 -0.045 -0.320 3.120
157 HB2 ALA 18 2HB ALA 18 1.541 0.376 3.454
158 HB3 ALA 18 3HB ALA 18 1.279 -0.555 1.980
159 H GLU 19 H GLU 19 1.364 2.592 4.002
160 HA GLU 19 HA GLU 19 -1.026 3.112 5.388
161 HB2 GLU 19 1HB GLU 19 0.339 4.590 6.834
162 HB3 GLU 19 2HB GLU 19 1.088 3.022 6.572
163 HG2 GLU 19 1HG GLU 19 2.696 3.933 5.083
164 HG3 GLU 19 2HG GLU 19 1.835 5.467 4.985
165 H GLU 20 H GLU 20 0.935 5.191 3.275
166 HA GLU 20 HA GLU 20 -0.531 7.555 3.819
167 HB2 GLU 20 1HB GLU 20 1.184 6.898 1.411
168 HB3 GLU 20 2HB GLU 20 0.639 8.506 1.880
169 HG2 GLU 20 1HG GLU 20 1.864 8.257 4.016
170 HG3 GLU 20 2HG GLU 20 2.487 6.711 3.447
171 H LEU 21 H LEU 21 -0.715 5.169 1.182
172 HA LEU 21 HA LEU 21 -2.755 6.413 -0.289
173 HB2 LEU 21 1HB LEU 21 -1.339 4.414 -0.970
174 HB3 LEU 21 2HB LEU 21 -2.384 3.427 0.027
175 HG LEU 21 HG LEU 21 -3.397 5.054 -2.321
176 HD11 LEU 21 1HD1 LEU 21 -2.590 2.144 -2.244
177 HD12 LEU 21 2HD1 LEU 21 -1.780 3.434 -3.133
178 HD13 LEU 21 3HD1 LEU 21 -3.414 2.949 -3.583
179 HD21 LEU 21 1HD2 LEU 21 -5.128 4.451 -0.708
180 HD22 LEU 21 2HD2 LEU 21 -4.628 2.761 -0.778
181 HD23 LEU 21 3HD2 LEU 21 -5.328 3.532 -2.199
182 H SER 22 H SER 22 -2.867 4.101 2.389
183 HA SER 22 HA SER 22 -5.605 3.622 2.471
184 HB2 SER 22 1HB SER 22 -3.921 2.353 3.776
185 HB3 SER 22 2HB SER 22 -3.682 3.754 4.815
186 HG SER 22 HG SER 22 -6.312 2.916 4.556
187 H ARG 23 H ARG 23 -3.767 5.963 4.467
188 HA ARG 23 HA ARG 23 -6.102 7.057 5.648
189 HB2 ARG 23 1HB ARG 23 -4.644 8.753 6.594
190 HB3 ARG 23 2HB ARG 23 -3.878 7.175 6.704
191 HG2 ARG 23 1HG ARG 23 -2.537 7.735 4.694
192 HG3 ARG 23 2HG ARG 23 -3.243 9.353 4.719
193 HD2 ARG 23 1HD ARG 23 -1.057 9.357 5.785
194 HD3 ARG 23 2HD ARG 23 -2.321 9.719 6.962
195 HE ARG 23 HE ARG 23 -2.134 7.324 7.640
196 HH11 ARG 23 1HH1 ARG 23 0.570 8.941 6.101
197 HH12 ARG 23 2HH1 ARG 23 1.751 7.881 6.810
198 HH21 ARG 23 1HH2 ARG 23 -0.561 5.950 8.573
199 HH22 ARG 23 2HH2 ARG 23 1.119 6.214 8.215
200 H ARG 24 H ARG 24 -4.209 7.994 2.821
201 HA ARG 24 HA ARG 24 -5.342 10.571 2.516
202 HB2 ARG 24 1HB ARG 24 -3.317 10.341 1.409
203 HB3 ARG 24 2HB ARG 24 -3.708 8.743 0.798
204 HG2 ARG 24 1HG ARG 24 -5.322 11.003 -0.258
205 HG3 ARG 24 2HG ARG 24 -3.628 10.927 -0.751
206 HD2 ARG 24 1HD ARG 24 -3.951 8.655 -1.573
207 HD3 ARG 24 2HD ARG 24 -5.623 8.671 -1.020
208 HE ARG 24 HE ARG 24 -6.092 10.343 -2.710
209 HH11 ARG 24 1HH1 ARG 24 -2.974 8.775 -3.002
210 HH12 ARG 24 2HH1 ARG 24 -2.893 8.975 -4.720
211 HH21 ARG 24 1HH2 ARG 24 -5.990 10.585 -4.971
212 HH22 ARG 24 2HH2 ARG 24 -4.610 9.989 -5.838
213 H THR 25 H THR 25 -6.143 7.414 1.141
214 HA THR 25 HA THR 25 -8.260 8.463 -0.503
215 HB THR 25 HB THR 25 -7.723 5.570 0.239
216 HG1 THR 25 1HG THR 25 -5.916 6.003 -0.813
217 HG21 THR 25 1HG2 THR 25 -9.919 5.945 -0.798
218 HG22 THR 25 2HG2 THR 25 -8.845 5.079 -1.896
219 HG23 THR 25 3HG2 THR 25 -9.147 6.801 -2.133
220 H GLY 26 H GLY 26 -7.953 7.439 2.761
221 HA2 GLY 26 1HA GLY 26 -9.495 7.305 4.475
222 HA3 GLY 26 2HA GLY 26 -10.708 7.935 3.364
223 H CYS 27 H CYS 27 -8.810 5.159 2.589
224 HA CYS 27 HA CYS 27 -11.113 3.372 3.026
225 HB2 CYS 27 2HB CYS 27 -9.380 3.573 0.547
226 HB3 CYS 27 1HB CYS 27 -10.493 2.247 0.858
227 H GLU 28 H GLU 28 -10.107 1.027 2.270
228 HA GLU 28 HA GLU 28 -7.674 0.681 3.893
229 HB2 GLU 28 1HB GLU 28 -9.682 -0.399 4.841
230 HB3 GLU 28 2HB GLU 28 -9.916 -1.291 3.344
231 HG2 GLU 28 1HG GLU 28 -8.901 -2.680 5.071
232 HG3 GLU 28 2HG GLU 28 -7.826 -2.473 3.690
233 H VAL 29 H VAL 29 -5.955 -0.300 2.977
234 HA VAL 29 HA VAL 29 -6.253 -1.288 0.221
235 HB VAL 29 HB VAL 29 -5.373 1.016 0.159
236 HG11 VAL 29 1HG1 VAL 29 -3.142 1.527 1.031
237 HG12 VAL 29 2HG1 VAL 29 -3.055 -0.078 1.759
238 HG13 VAL 29 3HG1 VAL 29 -4.258 1.084 2.321
239 HG21 VAL 29 1HG2 VAL 29 -4.726 -0.571 -1.587
240 HG22 VAL 29 2HG2 VAL 29 -3.331 -1.073 -0.633
241 HG23 VAL 29 3HG2 VAL 29 -3.424 0.573 -1.260
242 H GLU 30 H GLU 30 -5.159 -3.052 -0.261
243 HA GLU 30 HA GLU 30 -3.405 -4.249 1.783
244 HB2 GLU 30 1HB GLU 30 -5.502 -5.482 1.435
245 HB3 GLU 30 2HB GLU 30 -5.206 -5.539 -0.294
246 HG2 GLU 30 1HG GLU 30 -3.268 -6.978 0.072
247 HG3 GLU 30 2HG GLU 30 -3.535 -6.897 1.815
248 H VAL 31 H VAL 31 -1.311 -4.248 1.162
249 HA VAL 31 HA VAL 31 -0.757 -3.922 -1.719
250 HB VAL 31 HB VAL 31 0.874 -2.858 0.604
251 HG11 VAL 31 1HG1 VAL 31 1.221 -2.457 -2.375
252 HG12 VAL 31 2HG1 VAL 31 2.267 -3.416 -1.325
253 HG13 VAL 31 3HG1 VAL 31 2.166 -1.668 -1.110
254 HG21 VAL 31 1HG2 VAL 31 -0.903 -1.397 -1.357
255 HG22 VAL 31 2HG2 VAL 31 0.129 -0.642 -0.142
256 HG23 VAL 31 3HG2 VAL 31 -1.230 -1.649 0.359
257 H GLU 32 H GLU 32 0.306 -5.464 -2.643
258 HA GLU 32 HA GLU 32 2.020 -7.267 -1.058
259 HB2 GLU 32 1HB GLU 32 0.614 -7.778 -3.704
260 HB3 GLU 32 2HB GLU 32 1.552 -8.948 -2.788
261 HG2 GLU 32 1HG GLU 32 -0.070 -8.923 -0.998
262 HG3 GLU 32 2HG GLU 32 -0.970 -7.632 -1.786
263 H CYS 33 H CYS 33 4.169 -7.022 -1.484
264 HA CYS 33 HA CYS 33 4.830 -5.350 -3.817
265 HB2 CYS 33 2HB CYS 33 6.065 -5.387 -1.061
266 HB3 CYS 33 1HB CYS 33 6.717 -4.475 -2.422
267 H GLU 34 H GLU 34 6.612 -5.726 -4.993
268 HA GLU 34 HA GLU 34 7.995 -8.295 -4.629
269 HB2 GLU 34 1HB GLU 34 6.911 -7.252 -7.266
270 HB3 GLU 34 2HB GLU 34 7.666 -8.815 -6.978
271 HG2 GLU 34 1HG GLU 34 5.794 -9.534 -5.649
272 HG3 GLU 34 2HG GLU 34 5.064 -7.933 -5.735
273 H THR 35 H THR 35 9.779 -8.353 -6.484
274 HA THR 35 HA THR 35 10.912 -5.722 -7.040
275 HB THR 35 HB THR 35 12.529 -7.898 -5.673
276 HG1 THR 35 1HG THR 35 11.016 -5.845 -4.687
277 HG21 THR 35 1HG2 THR 35 14.311 -6.193 -5.594
278 HG22 THR 35 2HG2 THR 35 13.288 -5.087 -6.510
279 HG23 THR 35 3HG2 THR 35 13.864 -6.578 -7.255
Start of MODEL 13
1 H1 CYS 1 1H CYS 1 -15.223 -2.386 0.839
2 H2 CYS 1 2H CYS 1 -15.982 -0.880 0.865
3 H3 CYS 1 3H CYS 1 -14.814 -1.256 2.024
4 HA CYS 1 HA CYS 1 -14.360 -0.970 -0.881
5 HB2 CYS 1 2HB CYS 1 -14.811 1.140 0.336
6 HB3 CYS 1 1HB CYS 1 -13.462 0.787 1.400
7 H LYS 2 H LYS 2 -13.302 -2.825 -1.084
8 HA LYS 2 HA LYS 2 -10.953 -3.464 0.547
9 HB2 LYS 2 1HB LYS 2 -12.661 -4.952 -1.417
10 HB3 LYS 2 2HB LYS 2 -10.994 -5.469 -1.221
11 HG2 LYS 2 1HG LYS 2 -12.915 -5.206 1.085
12 HG3 LYS 2 2HG LYS 2 -12.689 -6.690 0.158
13 HD2 LYS 2 1HD LYS 2 -10.213 -6.493 0.702
14 HD3 LYS 2 2HD LYS 2 -10.669 -5.245 1.863
15 HE2 LYS 2 1HE LYS 2 -12.099 -6.847 3.035
16 HE3 LYS 2 2HE LYS 2 -11.684 -8.091 1.856
17 HZ1 LYS 2 1HZ LYS 2 -9.788 -6.749 3.703
18 HZ2 LYS 2 2HZ LYS 2 -9.370 -7.921 2.565
19 HZ3 LYS 2 3HZ LYS 2 -10.375 -8.326 3.864
20 H GLN 3 H GLN 3 -9.176 -2.388 -0.057
21 HA GLN 3 HA GLN 3 -8.594 -2.168 -2.940
22 HB2 GLN 3 1HB GLN 3 -7.805 -0.320 -0.691
23 HB3 GLN 3 2HB GLN 3 -7.153 -0.210 -2.318
24 HG2 GLN 3 1HG GLN 3 -10.075 0.022 -1.628
25 HG3 GLN 3 2HG GLN 3 -8.989 1.387 -1.882
26 HE21 GLN 3 1HE2 GLN 3 -9.008 1.174 -5.367
27 HE22 GLN 3 2HE2 GLN 3 -8.258 1.839 -3.960
28 H ARG 4 H ARG 4 -6.880 -3.109 -3.655
29 HA ARG 4 HA ARG 4 -4.609 -3.755 -1.974
30 HB2 ARG 4 1HB ARG 4 -4.617 -6.136 -2.503
31 HB3 ARG 4 2HB ARG 4 -6.104 -5.714 -1.671
32 HG2 ARG 4 1HG ARG 4 -5.864 -6.055 -4.663
33 HG3 ARG 4 2HG ARG 4 -6.389 -7.318 -3.553
34 HD2 ARG 4 1HD ARG 4 -8.323 -6.025 -2.910
35 HD3 ARG 4 2HD ARG 4 -7.764 -4.644 -3.854
36 HE ARG 4 HE ARG 4 -8.104 -7.014 -5.433
37 HH11 ARG 4 1HH1 ARG 4 -9.826 -4.315 -4.007
38 HH12 ARG 4 2HH1 ARG 4 -11.050 -4.286 -5.230
39 HH21 ARG 4 1HH2 ARG 4 -9.734 -7.015 -7.013
40 HH22 ARG 4 2HH2 ARG 4 -11.012 -5.840 -6.936
41 H ARG 5 H ARG 5 -2.833 -3.313 -3.110
42 HA ARG 5 HA ARG 5 -2.974 -3.585 -6.050
43 HB2 ARG 5 1HB ARG 5 -1.950 -1.218 -4.478
44 HB3 ARG 5 2HB ARG 5 -1.479 -1.508 -6.149
45 HG2 ARG 5 1HG ARG 5 -4.294 -1.077 -5.142
46 HG3 ARG 5 2HG ARG 5 -3.315 0.082 -6.046
47 HD2 ARG 5 1HD ARG 5 -3.275 -1.421 -7.963
48 HD3 ARG 5 2HD ARG 5 -4.186 -2.629 -7.059
49 HE ARG 5 HE ARG 5 -5.347 0.018 -7.615
50 HH11 ARG 5 1HH1 ARG 5 -5.447 -3.473 -7.883
51 HH12 ARG 5 2HH1 ARG 5 -7.030 -3.494 -8.599
52 HH21 ARG 5 1HH2 ARG 5 -7.432 -0.025 -8.567
53 HH22 ARG 5 2HH2 ARG 5 -8.159 -1.547 -8.973
54 H ARG 6 H ARG 6 -0.766 -3.458 -7.057
55 HA ARG 6 HA ARG 6 1.156 -4.966 -5.404
56 HB2 ARG 6 1HB ARG 6 1.867 -6.094 -7.501
57 HB3 ARG 6 2HB ARG 6 0.190 -6.426 -7.084
58 HG2 ARG 6 1HG ARG 6 -0.484 -4.647 -8.714
59 HG3 ARG 6 2HG ARG 6 1.205 -4.545 -9.211
60 HD2 ARG 6 1HD ARG 6 -0.554 -6.998 -9.370
61 HD3 ARG 6 2HD ARG 6 -0.071 -5.974 -10.723
62 HE ARG 6 HE ARG 6 2.267 -6.842 -9.492
63 HH11 ARG 6 1HH1 ARG 6 -0.449 -8.288 -11.175
64 HH12 ARG 6 2HH1 ARG 6 0.476 -9.620 -11.793
65 HH21 ARG 6 1HH2 ARG 6 3.488 -8.587 -10.321
66 HH22 ARG 6 2HH2 ARG 6 2.707 -9.778 -11.318
67 H TYR 7 H TYR 7 3.253 -4.348 -5.455
68 HA TYR 7 HA TYR 7 4.141 -2.228 -7.258
69 HB2 TYR 7 2HB TYR 7 3.219 -1.013 -5.338
70 HB3 TYR 7 1HB TYR 7 4.142 -2.015 -4.227
71 HD1 TYR 7 1HD TYR 7 6.341 -1.404 -3.596
72 HD2 TYR 7 2HD TYR 7 4.489 0.547 -6.905
73 HE1 TYR 7 1HE TYR 7 8.172 0.234 -3.653
74 HE2 TYR 7 2HE TYR 7 6.318 2.187 -6.961
75 HH TYR 7 HH TYR 7 7.996 3.116 -5.334
76 H ARG 8 H ARG 8 6.438 -2.191 -7.453
77 HA ARG 8 HA ARG 8 7.782 -4.492 -6.191
78 HB2 ARG 8 1HB ARG 8 9.251 -4.620 -8.128
79 HB3 ARG 8 2HB ARG 8 7.573 -4.755 -8.623
80 HG2 ARG 8 1HG ARG 8 7.605 -2.403 -9.347
81 HG3 ARG 8 2HG ARG 8 9.305 -2.297 -8.876
82 HD2 ARG 8 1HD ARG 8 9.833 -4.106 -10.475
83 HD3 ARG 8 2HD ARG 8 8.142 -4.141 -10.966
84 HE ARG 8 HE ARG 8 9.494 -1.583 -11.245
85 HH11 ARG 8 1HH1 ARG 8 8.432 -4.544 -12.783
86 HH12 ARG 8 2HH1 ARG 8 8.644 -3.937 -14.395
87 HH21 ARG 8 1HH2 ARG 8 9.746 -0.771 -13.362
88 HH22 ARG 8 2HH2 ARG 8 9.382 -1.783 -14.727
89 H GLY 9 H GLY 9 9.597 -4.155 -5.059
90 HA2 GLY 9 1HA GLY 9 11.532 -2.312 -5.107
91 HA3 GLY 9 2HA GLY 9 10.205 -1.370 -4.439
92 H SER 10 H SER 10 10.964 -1.070 -2.398
93 HA SER 10 HA SER 10 11.833 -3.430 -0.874
94 HB2 SER 10 1HB SER 10 12.245 -0.491 -0.250
95 HB3 SER 10 2HB SER 10 12.957 -1.852 0.618
96 HG SER 10 HG SER 10 14.489 -1.851 -0.813
97 H GLU 11 H GLU 11 11.055 -3.842 1.189
98 HA GLU 11 HA GLU 11 8.360 -3.672 1.685
99 HB2 GLU 11 1HB GLU 11 9.487 -5.310 2.880
100 HB3 GLU 11 2HB GLU 11 10.765 -4.222 3.383
101 HG2 GLU 11 1HG GLU 11 8.069 -3.682 4.487
102 HG3 GLU 11 2HG GLU 11 8.866 -5.154 5.035
103 H GLU 12 H GLU 12 10.898 -1.554 2.961
104 HA GLU 12 HA GLU 12 9.416 0.127 4.568
105 HB2 GLU 12 1HB GLU 12 11.853 0.188 4.400
106 HB3 GLU 12 2HB GLU 12 11.755 0.782 2.751
107 HG2 GLU 12 1HG GLU 12 10.407 2.435 4.796
108 HG3 GLU 12 2HG GLU 12 12.162 2.340 4.913
109 H GLU 13 H GLU 13 10.033 0.465 1.080
110 HA GLU 13 HA GLU 13 8.545 2.833 0.712
111 HB2 GLU 13 1HB GLU 13 9.173 0.674 -1.319
112 HB3 GLU 13 2HB GLU 13 8.676 2.325 -1.680
113 HG2 GLU 13 1HG GLU 13 10.729 3.163 -0.626
114 HG3 GLU 13 2HG GLU 13 11.225 1.504 -0.297
115 H CYS 14 H CYS 14 7.694 -0.590 0.468
116 HA CYS 14 HA CYS 14 5.127 -0.377 -0.594
117 HB2 CYS 14 2HB CYS 14 6.179 -2.333 1.464
118 HB3 CYS 14 1HB CYS 14 4.646 -2.508 0.621
119 H ARG 15 H ARG 15 6.113 -0.455 2.826
120 HA ARG 15 HA ARG 15 3.529 -0.136 3.890
121 HB2 ARG 15 1HB ARG 15 6.263 0.404 5.051
122 HB3 ARG 15 2HB ARG 15 4.776 0.521 5.988
123 HG2 ARG 15 1HG ARG 15 4.320 -1.797 5.720
124 HG3 ARG 15 2HG ARG 15 5.599 -1.976 4.519
125 HD2 ARG 15 1HD ARG 15 6.182 -2.838 6.785
126 HD3 ARG 15 2HD ARG 15 7.293 -1.619 6.162
127 HE ARG 15 HE ARG 15 5.140 -0.868 8.030
128 HH11 ARG 15 1HH1 ARG 15 8.545 -1.093 7.237
129 HH12 ARG 15 2HH1 ARG 15 9.049 -0.114 8.582
130 HH21 ARG 15 1HH2 ARG 15 5.803 0.422 9.799
131 HH22 ARG 15 2HH2 ARG 15 7.494 0.741 10.044
132 H LYS 16 H LYS 16 6.070 2.250 3.142
133 HA LYS 16 HA LYS 16 4.708 4.520 4.082
134 HB2 LYS 16 1HB LYS 16 6.875 4.045 2.091
135 HB3 LYS 16 2HB LYS 16 6.033 5.584 1.981
136 HG2 LYS 16 1HG LYS 16 8.040 5.785 3.322
137 HG3 LYS 16 2HG LYS 16 6.604 6.083 4.298
138 HD2 LYS 16 1HD LYS 16 6.753 3.819 5.221
139 HD3 LYS 16 2HD LYS 16 8.164 3.493 4.210
140 HE2 LYS 16 1HE LYS 16 7.954 5.541 6.420
141 HE3 LYS 16 2HE LYS 16 8.891 4.047 6.452
142 HZ1 LYS 16 1HZ LYS 16 10.214 4.928 4.596
143 HZ2 LYS 16 2HZ LYS 16 10.330 5.890 5.980
144 HZ3 LYS 16 3HZ LYS 16 9.361 6.385 4.681
145 H TYR 17 H TYR 17 4.694 3.045 0.856
146 HA TYR 17 HA TYR 17 2.937 4.847 -0.369
147 HB2 TYR 17 2HB TYR 17 4.371 3.135 -1.535
148 HB3 TYR 17 1HB TYR 17 3.230 1.899 -1.018
149 HD1 TYR 17 1HD TYR 17 1.142 1.578 -2.183
150 HD2 TYR 17 2HD TYR 17 3.647 4.889 -3.141
151 HE1 TYR 17 1HE TYR 17 -0.219 2.024 -4.185
152 HE2 TYR 17 2HE TYR 17 2.295 5.343 -5.142
153 HH TYR 17 HH TYR 17 0.771 4.116 -6.673
154 H ALA 18 H ALA 18 2.365 1.906 1.479
155 HA ALA 18 HA ALA 18 -0.428 1.739 1.052
156 HB1 ALA 18 1HB ALA 18 -0.440 0.160 2.900
157 HB2 ALA 18 2HB ALA 18 1.181 0.670 3.375
158 HB3 ALA 18 3HB ALA 18 0.932 -0.157 1.839
159 H GLU 19 H GLU 19 1.555 3.341 3.503
160 HA GLU 19 HA GLU 19 -0.619 4.082 5.177
161 HB2 GLU 19 1HB GLU 19 1.694 3.990 6.003
162 HB3 GLU 19 2HB GLU 19 2.134 5.319 4.938
163 HG2 GLU 19 1HG GLU 19 0.760 6.849 6.154
164 HG3 GLU 19 2HG GLU 19 0.048 5.542 7.098
165 H GLU 20 H GLU 20 1.187 5.774 2.629
166 HA GLU 20 HA GLU 20 -0.242 8.173 2.669
167 HB2 GLU 20 1HB GLU 20 1.409 6.750 0.638
168 HB3 GLU 20 2HB GLU 20 0.349 8.022 0.048
169 HG2 GLU 20 1HG GLU 20 2.526 8.936 0.452
170 HG3 GLU 20 2HG GLU 20 1.396 9.601 1.625
171 H LEU 21 H LEU 21 -0.881 5.133 0.993
172 HA LEU 21 HA LEU 21 -3.192 5.972 -0.394
173 HB2 LEU 21 1HB LEU 21 -1.762 3.502 0.060
174 HB3 LEU 21 2HB LEU 21 -3.486 3.220 0.201
175 HG LEU 21 HG LEU 21 -2.100 4.455 -2.189
176 HD11 LEU 21 1HD1 LEU 21 -3.383 1.742 -1.852
177 HD12 LEU 21 2HD1 LEU 21 -1.646 2.054 -1.909
178 HD13 LEU 21 3HD1 LEU 21 -2.648 2.382 -3.325
179 HD21 LEU 21 1HD2 LEU 21 -4.355 5.355 -1.863
180 HD22 LEU 21 2HD2 LEU 21 -4.998 3.715 -1.750
181 HD23 LEU 21 3HD2 LEU 21 -4.298 4.288 -3.265
182 H SER 22 H SER 22 -2.739 4.558 2.808
183 HA SER 22 HA SER 22 -5.490 4.208 3.375
184 HB2 SER 22 1HB SER 22 -3.680 2.998 4.561
185 HB3 SER 22 2HB SER 22 -3.176 4.510 5.316
186 HG SER 22 HG SER 22 -5.368 2.883 5.848
187 H ARG 23 H ARG 23 -3.188 6.821 4.085
188 HA ARG 23 HA ARG 23 -5.142 8.380 5.505
189 HB2 ARG 23 1HB ARG 23 -3.452 9.989 5.814
190 HB3 ARG 23 2HB ARG 23 -2.604 8.453 5.834
191 HG2 ARG 23 1HG ARG 23 -2.337 9.052 3.230
192 HG3 ARG 23 2HG ARG 23 -2.468 10.682 3.892
193 HD2 ARG 23 1HD ARG 23 -0.405 8.571 4.486
194 HD3 ARG 23 2HD ARG 23 -0.157 10.198 3.858
195 HE ARG 23 HE ARG 23 -1.214 10.654 6.305
196 HH11 ARG 23 1HH1 ARG 23 1.501 8.734 5.164
197 HH12 ARG 23 2HH1 ARG 23 2.349 8.818 6.676
198 HH21 ARG 23 1HH2 ARG 23 -0.090 10.780 8.276
199 HH22 ARG 23 2HH2 ARG 23 1.452 10.002 8.444
200 H ARG 24 H ARG 24 -4.242 7.912 2.233
201 HA ARG 24 HA ARG 24 -5.384 10.259 1.118
202 HB2 ARG 24 1HB ARG 24 -3.842 8.944 -0.190
203 HB3 ARG 24 2HB ARG 24 -4.838 7.511 -0.026
204 HG2 ARG 24 1HG ARG 24 -4.984 8.449 -2.267
205 HG3 ARG 24 2HG ARG 24 -6.544 8.497 -1.453
206 HD2 ARG 24 1HD ARG 24 -4.703 10.875 -1.475
207 HD3 ARG 24 2HD ARG 24 -5.819 10.553 -2.803
208 HE ARG 24 HE ARG 24 -7.434 10.436 -0.661
209 HH11 ARG 24 1HH1 ARG 24 -5.110 12.842 -1.702
210 HH12 ARG 24 2HH1 ARG 24 -5.951 14.158 -0.945
211 HH21 ARG 24 1HH2 ARG 24 -8.535 12.164 0.324
212 HH22 ARG 24 2HH2 ARG 24 -7.903 13.775 0.197
213 H THR 25 H THR 25 -6.651 6.905 1.182
214 HA THR 25 HA THR 25 -9.378 8.039 1.239
215 HB THR 25 HB THR 25 -8.504 5.525 -0.217
216 HG1 THR 25 1HG THR 25 -9.004 8.182 -1.080
217 HG21 THR 25 1HG2 THR 25 -10.774 5.519 -1.134
218 HG22 THR 25 2HG2 THR 25 -11.175 6.952 -0.187
219 HG23 THR 25 3HG2 THR 25 -10.818 5.428 0.628
220 H GLY 26 H GLY 26 -10.566 7.387 2.933
221 HA2 GLY 26 1HA GLY 26 -9.496 5.569 4.872
222 HA3 GLY 26 2HA GLY 26 -11.046 6.391 4.951
223 H CYS 27 H CYS 27 -9.468 3.831 3.067
224 HA CYS 27 HA CYS 27 -11.942 2.224 3.228
225 HB2 CYS 27 2HB CYS 27 -9.722 2.304 1.166
226 HB3 CYS 27 1HB CYS 27 -10.879 0.979 1.250
227 H GLU 28 H GLU 28 -10.804 -0.254 2.565
228 HA GLU 28 HA GLU 28 -8.738 -0.680 4.632
229 HB2 GLU 28 1HB GLU 28 -10.786 -1.978 5.022
230 HB3 GLU 28 2HB GLU 28 -10.713 -2.625 3.388
231 HG2 GLU 28 1HG GLU 28 -8.828 -3.939 3.874
232 HG3 GLU 28 2HG GLU 28 -8.515 -3.083 5.387
233 H VAL 29 H VAL 29 -6.839 -0.470 3.617
234 HA VAL 29 HA VAL 29 -6.603 -1.498 0.863
235 HB VAL 29 HB VAL 29 -6.992 0.900 0.733
236 HG11 VAL 29 1HG1 VAL 29 -4.581 1.220 2.529
237 HG12 VAL 29 2HG1 VAL 29 -6.258 1.531 2.978
238 HG13 VAL 29 3HG1 VAL 29 -5.473 2.529 1.753
239 HG21 VAL 29 1HG2 VAL 29 -4.094 0.233 0.195
240 HG22 VAL 29 2HG2 VAL 29 -4.989 1.583 -0.507
241 HG23 VAL 29 3HG2 VAL 29 -5.446 -0.078 -0.890
242 H GLU 30 H GLU 30 -4.748 -2.456 0.325
243 HA GLU 30 HA GLU 30 -2.308 -1.848 1.772
244 HB2 GLU 30 1HB GLU 30 -3.616 -4.521 1.853
245 HB3 GLU 30 2HB GLU 30 -1.873 -4.494 1.626
246 HG2 GLU 30 1HG GLU 30 -1.652 -3.126 3.669
247 HG3 GLU 30 2HG GLU 30 -3.389 -3.257 3.913
248 H VAL 31 H VAL 31 -0.437 -2.926 0.754
249 HA VAL 31 HA VAL 31 -0.768 -3.415 -2.113
250 HB VAL 31 HB VAL 31 -0.174 -1.042 -1.917
251 HG11 VAL 31 1HG1 VAL 31 0.915 -1.137 0.279
252 HG12 VAL 31 2HG1 VAL 31 1.911 -0.307 -0.914
253 HG13 VAL 31 3HG1 VAL 31 2.295 -1.964 -0.443
254 HG21 VAL 31 1HG2 VAL 31 1.840 -1.024 -3.309
255 HG22 VAL 31 2HG2 VAL 31 0.724 -2.293 -3.814
256 HG23 VAL 31 3HG2 VAL 31 2.162 -2.707 -2.877
257 H GLU 32 H GLU 32 0.835 -4.780 -2.968
258 HA GLU 32 HA GLU 32 2.369 -6.239 -0.912
259 HB2 GLU 32 1HB GLU 32 1.234 -7.229 -3.547
260 HB3 GLU 32 2HB GLU 32 2.138 -8.202 -2.394
261 HG2 GLU 32 1HG GLU 32 -0.531 -6.897 -1.877
262 HG3 GLU 32 2HG GLU 32 -0.278 -8.598 -2.260
263 H CYS 33 H CYS 33 4.390 -7.284 -1.789
264 HA CYS 33 HA CYS 33 5.722 -5.225 -3.424
265 HB2 CYS 33 2HB CYS 33 7.043 -6.896 -1.287
266 HB3 CYS 33 1HB CYS 33 7.645 -5.425 -2.043
267 H GLU 34 H GLU 34 6.734 -5.846 -5.181
268 HA GLU 34 HA GLU 34 7.534 -8.663 -5.502
269 HB2 GLU 34 1HB GLU 34 6.906 -6.621 -7.656
270 HB3 GLU 34 2HB GLU 34 7.398 -8.285 -7.934
271 HG2 GLU 34 1HG GLU 34 5.331 -9.036 -6.780
272 HG3 GLU 34 2HG GLU 34 4.830 -7.349 -6.662
273 H THR 35 H THR 35 9.496 -8.909 -6.867
274 HA THR 35 HA THR 35 11.285 -6.594 -6.898
275 HB THR 35 HB THR 35 12.084 -9.297 -5.761
276 HG1 THR 35 1HG THR 35 10.983 -7.097 -4.615
277 HG21 THR 35 1HG2 THR 35 13.663 -6.725 -6.031
278 HG22 THR 35 2HG2 THR 35 13.925 -8.197 -6.971
279 HG23 THR 35 3HG2 THR 35 14.219 -8.195 -5.231
Start of MODEL 14
1 H1 CYS 1 1H CYS 1 -16.123 0.098 1.567
2 H2 CYS 1 2H CYS 1 -14.735 0.311 2.501
3 H3 CYS 1 3H CYS 1 -15.230 -1.246 2.065
4 HA CYS 1 HA CYS 1 -14.829 -0.767 -0.243
5 HB2 CYS 1 2HB CYS 1 -13.536 1.382 -0.728
6 HB3 CYS 1 1HB CYS 1 -15.249 1.569 -0.376
7 H LYS 2 H LYS 2 -13.370 -2.371 -0.263
8 HA LYS 2 HA LYS 2 -10.711 -1.833 0.906
9 HB2 LYS 2 1HB LYS 2 -12.023 -4.529 0.445
10 HB3 LYS 2 2HB LYS 2 -10.419 -4.265 1.115
11 HG2 LYS 2 1HG LYS 2 -11.466 -3.064 3.016
12 HG3 LYS 2 2HG LYS 2 -13.048 -3.485 2.367
13 HD2 LYS 2 1HD LYS 2 -10.933 -5.500 3.153
14 HD3 LYS 2 2HD LYS 2 -12.243 -4.981 4.210
15 HE2 LYS 2 1HE LYS 2 -12.936 -7.031 3.259
16 HE3 LYS 2 2HE LYS 2 -13.843 -5.778 2.416
17 HZ1 LYS 2 1HZ LYS 2 -12.415 -5.984 0.538
18 HZ2 LYS 2 2HZ LYS 2 -12.913 -7.539 0.961
19 HZ3 LYS 2 3HZ LYS 2 -11.359 -7.015 1.361
20 H GLN 3 H GLN 3 -8.900 -2.292 -0.360
21 HA GLN 3 HA GLN 3 -9.257 -3.398 -3.029
22 HB2 GLN 3 1HB GLN 3 -9.786 -1.040 -3.403
23 HB3 GLN 3 2HB GLN 3 -8.298 -0.553 -2.605
24 HG2 GLN 3 1HG GLN 3 -8.149 -0.399 -5.047
25 HG3 GLN 3 2HG GLN 3 -6.974 -1.529 -4.377
26 HE21 GLN 3 1HE2 GLN 3 -7.974 -3.704 -6.905
27 HE22 GLN 3 2HE2 GLN 3 -6.736 -2.679 -6.264
28 H ARG 4 H ARG 4 -7.308 -4.088 -3.977
29 HA ARG 4 HA ARG 4 -5.003 -4.089 -2.144
30 HB2 ARG 4 1HB ARG 4 -4.374 -6.257 -3.052
31 HB3 ARG 4 2HB ARG 4 -6.015 -6.317 -2.430
32 HG2 ARG 4 1HG ARG 4 -6.874 -6.106 -4.742
33 HG3 ARG 4 2HG ARG 4 -5.211 -6.119 -5.335
34 HD2 ARG 4 1HD ARG 4 -4.901 -8.350 -4.291
35 HD3 ARG 4 2HD ARG 4 -6.601 -8.336 -3.824
36 HE ARG 4 HE ARG 4 -6.326 -7.911 -6.617
37 HH11 ARG 4 1HH1 ARG 4 -6.197 -10.434 -4.180
38 HH12 ARG 4 2HH1 ARG 4 -6.538 -11.706 -5.312
39 HH21 ARG 4 1HH2 ARG 4 -6.784 -9.582 -8.087
40 HH22 ARG 4 2HH2 ARG 4 -6.850 -11.225 -7.527
41 H ARG 5 H ARG 5 -2.936 -3.913 -3.017
42 HA ARG 5 HA ARG 5 -2.642 -3.175 -5.841
43 HB2 ARG 5 1HB ARG 5 -1.722 -1.481 -3.494
44 HB3 ARG 5 2HB ARG 5 -1.182 -1.236 -5.149
45 HG2 ARG 5 1HG ARG 5 -4.083 -1.118 -4.349
46 HG3 ARG 5 2HG ARG 5 -3.021 0.290 -4.320
47 HD2 ARG 5 1HD ARG 5 -3.545 -1.414 -6.760
48 HD3 ARG 5 2HD ARG 5 -4.380 0.096 -6.395
49 HE ARG 5 HE ARG 5 -1.756 0.802 -6.319
50 HH11 ARG 5 1HH1 ARG 5 -3.769 -0.781 -8.714
51 HH12 ARG 5 2HH1 ARG 5 -2.847 -0.189 -10.061
52 HH21 ARG 5 1HH2 ARG 5 -0.564 1.601 -8.106
53 HH22 ARG 5 2HH2 ARG 5 -1.036 1.151 -9.715
54 H ARG 6 H ARG 6 -0.266 -3.100 -6.427
55 HA ARG 6 HA ARG 6 1.499 -4.356 -4.474
56 HB2 ARG 6 1HB ARG 6 2.534 -5.747 -6.335
57 HB3 ARG 6 2HB ARG 6 0.977 -6.285 -5.723
58 HG2 ARG 6 1HG ARG 6 -0.151 -5.579 -7.661
59 HG3 ARG 6 2HG ARG 6 1.213 -4.598 -8.204
60 HD2 ARG 6 1HD ARG 6 0.836 -6.839 -9.382
61 HD3 ARG 6 2HD ARG 6 2.470 -6.480 -8.824
62 HE ARG 6 HE ARG 6 0.895 -7.985 -6.931
63 HH11 ARG 6 1HH1 ARG 6 3.010 -8.200 -9.709
64 HH12 ARG 6 2HH1 ARG 6 3.555 -9.797 -9.327
65 HH21 ARG 6 1HH2 ARG 6 1.622 -10.086 -6.412
66 HH22 ARG 6 2HH2 ARG 6 2.778 -10.874 -7.445
67 H TYR 7 H TYR 7 3.514 -3.591 -4.477
68 HA TYR 7 HA TYR 7 4.182 -1.478 -6.425
69 HB2 TYR 7 2HB TYR 7 3.372 -0.622 -4.189
70 HB3 TYR 7 1HB TYR 7 4.744 -1.424 -3.441
71 HD1 TYR 7 1HD TYR 7 6.978 -0.492 -3.620
72 HD2 TYR 7 2HD TYR 7 3.686 1.359 -5.591
73 HE1 TYR 7 1HE TYR 7 8.325 1.537 -3.955
74 HE2 TYR 7 2HE TYR 7 5.031 3.387 -5.945
75 HH TYR 7 HH TYR 7 6.976 4.499 -4.946
76 H ARG 8 H ARG 8 6.355 -1.388 -7.038
77 HA ARG 8 HA ARG 8 8.008 -3.627 -6.079
78 HB2 ARG 8 1HB ARG 8 9.120 -3.495 -8.368
79 HB3 ARG 8 2HB ARG 8 7.483 -4.125 -8.321
80 HG2 ARG 8 1HG ARG 8 7.448 -2.743 -10.179
81 HG3 ARG 8 2HG ARG 8 6.766 -1.713 -8.923
82 HD2 ARG 8 1HD ARG 8 8.366 -0.483 -10.286
83 HD3 ARG 8 2HD ARG 8 8.938 -0.625 -8.625
84 HE ARG 8 HE ARG 8 9.924 -2.350 -10.816
85 HH11 ARG 8 1HH1 ARG 8 10.488 -0.385 -7.974
86 HH12 ARG 8 2HH1 ARG 8 12.199 -0.668 -7.965
87 HH21 ARG 8 1HH2 ARG 8 12.162 -2.723 -10.803
88 HH22 ARG 8 2HH2 ARG 8 13.148 -2.025 -9.561
89 H GLY 9 H GLY 9 10.042 -3.266 -5.430
90 HA2 GLY 9 1HA GLY 9 11.910 -1.443 -5.918
91 HA3 GLY 9 2HA GLY 9 10.792 -0.490 -4.947
92 H SER 10 H SER 10 10.334 -1.199 -2.776
93 HA SER 10 HA SER 10 11.943 -3.278 -1.589
94 HB2 SER 10 1HB SER 10 12.405 -0.373 -0.828
95 HB3 SER 10 2HB SER 10 13.061 -1.766 0.036
96 HG SER 10 HG SER 10 13.713 -2.123 -2.469
97 H GLU 11 H GLU 11 11.284 -3.774 0.555
98 HA GLU 11 HA GLU 11 8.557 -3.752 0.942
99 HB2 GLU 11 1HB GLU 11 9.025 -4.542 3.243
100 HB3 GLU 11 2HB GLU 11 9.960 -5.391 2.020
101 HG2 GLU 11 1HG GLU 11 11.916 -4.014 2.565
102 HG3 GLU 11 2HG GLU 11 10.972 -3.174 3.796
103 H GLU 12 H GLU 12 10.961 -1.530 2.316
104 HA GLU 12 HA GLU 12 9.247 -0.173 4.075
105 HB2 GLU 12 1HB GLU 12 11.711 0.069 4.105
106 HB3 GLU 12 2HB GLU 12 11.638 0.930 2.573
107 HG2 GLU 12 1HG GLU 12 10.297 2.696 3.652
108 HG3 GLU 12 2HG GLU 12 10.443 1.843 5.189
109 H GLU 13 H GLU 13 10.179 0.579 0.729
110 HA GLU 13 HA GLU 13 8.590 2.841 0.360
111 HB2 GLU 13 1HB GLU 13 9.497 0.739 -1.621
112 HB3 GLU 13 2HB GLU 13 8.737 2.256 -2.084
113 HG2 GLU 13 1HG GLU 13 11.318 2.017 -0.543
114 HG3 GLU 13 2HG GLU 13 11.192 2.305 -2.279
115 H CYS 14 H CYS 14 7.844 -0.581 -0.101
116 HA CYS 14 HA CYS 14 5.271 -0.296 -1.187
117 HB2 CYS 14 2HB CYS 14 6.315 -2.548 0.555
118 HB3 CYS 14 1HB CYS 14 4.948 -2.637 -0.554
119 H ARG 15 H ARG 15 6.379 -0.647 2.153
120 HA ARG 15 HA ARG 15 3.877 -0.645 3.426
121 HB2 ARG 15 1HB ARG 15 6.655 0.112 4.319
122 HB3 ARG 15 2HB ARG 15 5.282 0.235 5.409
123 HG2 ARG 15 1HG ARG 15 4.987 -2.054 5.520
124 HG3 ARG 15 2HG ARG 15 5.808 -2.343 3.985
125 HD2 ARG 15 1HD ARG 15 7.038 -2.997 6.133
126 HD3 ARG 15 2HD ARG 15 7.929 -2.062 4.933
127 HE ARG 15 HE ARG 15 6.685 -0.380 6.878
128 HH11 ARG 15 1HH1 ARG 15 9.407 -2.536 6.441
129 HH12 ARG 15 2HH1 ARG 15 10.449 -1.636 7.498
130 HH21 ARG 15 1HH2 ARG 15 8.027 0.775 8.294
131 HH22 ARG 15 2HH2 ARG 15 9.657 0.236 8.573
132 H LYS 16 H LYS 16 6.127 1.990 2.707
133 HA LYS 16 HA LYS 16 4.673 4.117 3.788
134 HB2 LYS 16 1HB LYS 16 6.551 4.043 1.410
135 HB3 LYS 16 2HB LYS 16 5.961 5.525 2.153
136 HG2 LYS 16 1HG LYS 16 7.144 5.129 4.151
137 HG3 LYS 16 2HG LYS 16 7.448 3.442 3.736
138 HD2 LYS 16 1HD LYS 16 9.470 4.791 3.471
139 HD3 LYS 16 2HD LYS 16 8.936 4.147 1.919
140 HE2 LYS 16 1HE LYS 16 7.906 6.319 1.391
141 HE3 LYS 16 2HE LYS 16 8.466 6.953 2.939
142 HZ1 LYS 16 1HZ LYS 16 9.944 7.582 1.132
143 HZ2 LYS 16 2HZ LYS 16 10.212 5.958 0.753
144 HZ3 LYS 16 3HZ LYS 16 10.741 6.579 2.232
145 H TYR 17 H TYR 17 4.639 2.735 0.530
146 HA TYR 17 HA TYR 17 2.760 4.411 -0.663
147 HB2 TYR 17 2HB TYR 17 4.137 2.794 -1.900
148 HB3 TYR 17 1HB TYR 17 3.284 1.460 -1.137
149 HD1 TYR 17 1HD TYR 17 1.539 0.461 -2.294
150 HD2 TYR 17 2HD TYR 17 2.605 4.464 -3.275
151 HE1 TYR 17 1HE TYR 17 -0.053 0.415 -4.163
152 HE2 TYR 17 2HE TYR 17 1.011 4.430 -5.151
153 HH TYR 17 HH TYR 17 -0.142 2.884 -6.569
154 H ALA 18 H ALA 18 2.321 1.465 1.255
155 HA ALA 18 HA ALA 18 -0.491 1.293 1.026
156 HB1 ALA 18 1HB ALA 18 -0.371 -0.199 2.963
157 HB2 ALA 18 2HB ALA 18 1.289 0.316 3.265
158 HB3 ALA 18 3HB ALA 18 0.894 -0.574 1.794
159 H GLU 19 H GLU 19 1.578 2.861 3.449
160 HA GLU 19 HA GLU 19 -0.464 3.690 5.201
161 HB2 GLU 19 1HB GLU 19 2.246 4.948 4.680
162 HB3 GLU 19 2HB GLU 19 1.207 5.321 6.050
163 HG2 GLU 19 1HG GLU 19 2.466 2.648 5.451
164 HG3 GLU 19 2HG GLU 19 2.994 3.795 6.680
165 H GLU 20 H GLU 20 1.247 5.465 2.636
166 HA GLU 20 HA GLU 20 -0.200 7.826 2.703
167 HB2 GLU 20 1HB GLU 20 1.478 6.425 0.706
168 HB3 GLU 20 2HB GLU 20 0.335 7.575 0.029
169 HG2 GLU 20 1HG GLU 20 2.580 8.525 0.456
170 HG3 GLU 20 2HG GLU 20 1.281 9.372 1.290
171 H LEU 21 H LEU 21 -0.864 4.843 0.901
172 HA LEU 21 HA LEU 21 -3.089 5.700 -0.539
173 HB2 LEU 21 1HB LEU 21 -1.772 3.232 -0.005
174 HB3 LEU 21 2HB LEU 21 -3.483 2.974 0.267
175 HG LEU 21 HG LEU 21 -2.934 2.377 -2.001
176 HD11 LEU 21 1HD1 LEU 21 -4.432 4.997 -1.950
177 HD12 LEU 21 2HD1 LEU 21 -5.116 3.405 -1.617
178 HD13 LEU 21 3HD1 LEU 21 -4.501 3.780 -3.225
179 HD21 LEU 21 1HD2 LEU 21 -0.917 3.724 -2.273
180 HD22 LEU 21 2HD2 LEU 21 -1.891 5.197 -2.318
181 HD23 LEU 21 3HD2 LEU 21 -2.044 3.998 -3.603
182 H SER 22 H SER 22 -3.002 4.093 2.647
183 HA SER 22 HA SER 22 -5.784 3.979 2.958
184 HB2 SER 22 1HB SER 22 -5.134 3.498 5.345
185 HB3 SER 22 2HB SER 22 -4.392 2.458 4.144
186 HG SER 22 HG SER 22 -2.528 3.133 4.801
187 H ARG 23 H ARG 23 -3.363 6.336 4.113
188 HA ARG 23 HA ARG 23 -5.321 7.861 5.565
189 HB2 ARG 23 1HB ARG 23 -3.540 9.515 5.886
190 HB3 ARG 23 2HB ARG 23 -2.981 7.893 6.257
191 HG2 ARG 23 1HG ARG 23 -1.915 7.798 4.017
192 HG3 ARG 23 2HG ARG 23 -2.382 9.480 3.767
193 HD2 ARG 23 1HD ARG 23 -0.026 9.159 4.551
194 HD3 ARG 23 2HD ARG 23 -1.001 10.211 5.578
195 HE ARG 23 HE ARG 23 -1.329 8.020 6.916
196 HH11 ARG 23 1HH1 ARG 23 1.631 8.904 5.253
197 HH12 ARG 23 2HH1 ARG 23 2.654 8.137 6.427
198 HH21 ARG 23 1HH2 ARG 23 0.009 6.986 8.418
199 HH22 ARG 23 2HH2 ARG 23 1.735 7.029 8.214
200 H ARG 24 H ARG 24 -4.228 7.771 2.306
201 HA ARG 24 HA ARG 24 -4.994 10.427 1.560
202 HB2 ARG 24 1HB ARG 24 -3.350 8.848 0.358
203 HB3 ARG 24 2HB ARG 24 -4.770 8.060 -0.309
204 HG2 ARG 24 1HG ARG 24 -3.858 9.636 -1.893
205 HG3 ARG 24 2HG ARG 24 -5.447 10.176 -1.351
206 HD2 ARG 24 1HD ARG 24 -4.567 11.920 -0.087
207 HD3 ARG 24 2HD ARG 24 -2.972 11.175 0.020
208 HE ARG 24 HE ARG 24 -3.027 11.643 -2.558
209 HH11 ARG 24 1HH1 ARG 24 -4.296 13.742 -0.038
210 HH12 ARG 24 2HH1 ARG 24 -3.870 15.202 -0.873
211 HH21 ARG 24 1HH2 ARG 24 -2.420 13.574 -3.622
212 HH22 ARG 24 2HH2 ARG 24 -2.762 15.110 -2.882
213 H THR 25 H THR 25 -6.436 7.214 1.094
214 HA THR 25 HA THR 25 -9.061 8.503 0.686
215 HB THR 25 HB THR 25 -9.649 6.370 -0.579
216 HG1 THR 25 1HG THR 25 -7.388 5.518 0.282
217 HG21 THR 25 1HG2 THR 25 -7.501 8.158 -1.740
218 HG22 THR 25 2HG2 THR 25 -9.236 8.471 -1.754
219 HG23 THR 25 3HG2 THR 25 -8.582 7.115 -2.670
220 H GLY 26 H GLY 26 -10.512 8.084 2.227
221 HA2 GLY 26 1HA GLY 26 -9.919 6.463 4.475
222 HA3 GLY 26 2HA GLY 26 -11.466 7.219 4.125
223 H CYS 27 H CYS 27 -9.454 4.423 3.462
224 HA CYS 27 HA CYS 27 -11.777 2.689 3.389
225 HB2 CYS 27 2HB CYS 27 -9.967 3.094 0.993
226 HB3 CYS 27 1HB CYS 27 -10.934 1.639 1.207
227 H GLU 28 H GLU 28 -10.654 0.377 2.573
228 HA GLU 28 HA GLU 28 -8.294 0.012 4.310
229 HB2 GLU 28 1HB GLU 28 -10.243 -1.234 5.103
230 HB3 GLU 28 2HB GLU 28 -10.472 -1.947 3.513
231 HG2 GLU 28 1HG GLU 28 -9.475 -3.609 4.862
232 HG3 GLU 28 2HG GLU 28 -8.216 -3.025 3.777
233 H VAL 29 H VAL 29 -6.604 0.161 2.984
234 HA VAL 29 HA VAL 29 -6.689 -1.296 0.418
235 HB VAL 29 HB VAL 29 -4.953 1.090 1.128
236 HG11 VAL 29 1HG1 VAL 29 -3.869 -0.386 -0.472
237 HG12 VAL 29 2HG1 VAL 29 -4.390 1.095 -1.274
238 HG13 VAL 29 3HG1 VAL 29 -5.314 -0.393 -1.485
239 HG21 VAL 29 1HG2 VAL 29 -6.361 2.352 -0.447
240 HG22 VAL 29 2HG2 VAL 29 -7.299 1.744 0.918
241 HG23 VAL 29 3HG2 VAL 29 -7.399 0.939 -0.649
242 H GLU 30 H GLU 30 -5.386 -2.960 0.236
243 HA GLU 30 HA GLU 30 -3.129 -3.222 2.118
244 HB2 GLU 30 1HB GLU 30 -4.833 -4.939 2.465
245 HB3 GLU 30 2HB GLU 30 -4.784 -5.371 0.760
246 HG2 GLU 30 1HG GLU 30 -2.522 -6.193 0.989
247 HG3 GLU 30 2HG GLU 30 -2.464 -5.654 2.667
248 H VAL 31 H VAL 31 -1.135 -3.453 1.276
249 HA VAL 31 HA VAL 31 -0.924 -3.532 -1.654
250 HB VAL 31 HB VAL 31 0.868 -2.124 0.343
251 HG11 VAL 31 1HG1 VAL 31 2.124 -1.297 -1.577
252 HG12 VAL 31 2HG1 VAL 31 1.105 -2.236 -2.669
253 HG13 VAL 31 3HG1 VAL 31 2.166 -3.058 -1.525
254 HG21 VAL 31 1HG2 VAL 31 0.088 -0.068 -0.732
255 HG22 VAL 31 2HG2 VAL 31 -1.267 -0.980 -0.065
256 HG23 VAL 31 3HG2 VAL 31 -0.953 -1.010 -1.801
257 H GLU 32 H GLU 32 0.672 -4.725 -2.557
258 HA GLU 32 HA GLU 32 1.991 -6.747 -0.867
259 HB2 GLU 32 1HB GLU 32 0.332 -7.721 -2.353
260 HB3 GLU 32 2HB GLU 32 0.970 -6.825 -3.721
261 HG2 GLU 32 1HG GLU 32 3.052 -8.142 -3.576
262 HG3 GLU 32 2HG GLU 32 2.341 -9.078 -2.258
263 H CYS 33 H CYS 33 4.225 -7.200 -1.428
264 HA CYS 33 HA CYS 33 5.432 -4.805 -2.656
265 HB2 CYS 33 2HB CYS 33 5.651 -5.052 -0.155
266 HB3 CYS 33 1HB CYS 33 6.644 -6.477 -0.451
267 H GLU 34 H GLU 34 7.054 -4.978 -4.045
268 HA GLU 34 HA GLU 34 8.326 -7.581 -4.536
269 HB2 GLU 34 1HB GLU 34 7.328 -5.681 -6.683
270 HB3 GLU 34 2HB GLU 34 8.243 -7.155 -6.970
271 HG2 GLU 34 1HG GLU 34 6.387 -8.468 -6.026
272 HG3 GLU 34 2HG GLU 34 5.473 -6.978 -5.791
273 H THR 35 H THR 35 10.297 -7.096 -6.105
274 HA THR 35 HA THR 35 11.569 -4.592 -5.200
275 HB THR 35 HB THR 35 13.753 -5.879 -5.221
276 HG1 THR 35 1HG THR 35 12.601 -7.715 -6.404
277 HG21 THR 35 1HG2 THR 35 11.649 -6.765 -3.232
278 HG22 THR 35 2HG2 THR 35 12.627 -5.302 -3.123
279 HG23 THR 35 3HG2 THR 35 13.396 -6.885 -3.003
Start of MODEL 15
1 H1 CYS 1 1H CYS 1 -15.728 -0.255 -0.426
2 H2 CYS 1 2H CYS 1 -16.237 1.354 -0.351
3 H3 CYS 1 3H CYS 1 -15.372 0.682 0.935
4 HA CYS 1 HA CYS 1 -14.344 1.121 -1.798
5 HB2 CYS 1 2HB CYS 1 -14.691 3.192 -0.473
6 HB3 CYS 1 1HB CYS 1 -13.659 2.532 0.788
7 H LYS 2 H LYS 2 -13.174 -0.622 -2.197
8 HA LYS 2 HA LYS 2 -11.142 -1.489 -0.241
9 HB2 LYS 2 1HB LYS 2 -13.041 -3.221 -1.832
10 HB3 LYS 2 2HB LYS 2 -11.516 -3.848 -1.221
11 HG2 LYS 2 1HG LYS 2 -12.232 -3.284 1.073
12 HG3 LYS 2 2HG LYS 2 -13.783 -2.735 0.430
13 HD2 LYS 2 1HD LYS 2 -14.301 -4.949 -0.365
14 HD3 LYS 2 2HD LYS 2 -12.687 -5.526 0.050
15 HE2 LYS 2 1HE LYS 2 -14.315 -6.257 1.707
16 HE3 LYS 2 2HE LYS 2 -13.155 -5.141 2.423
17 HZ1 LYS 2 1HZ LYS 2 -15.445 -4.709 3.113
18 HZ2 LYS 2 2HZ LYS 2 -15.878 -4.396 1.507
19 HZ3 LYS 2 3HZ LYS 2 -14.776 -3.390 2.294
20 H GLN 3 H GLN 3 -9.149 -1.856 -1.086
21 HA GLN 3 HA GLN 3 -8.799 -2.161 -3.970
22 HB2 GLN 3 1HB GLN 3 -7.527 0.054 -2.354
23 HB3 GLN 3 2HB GLN 3 -6.971 -0.425 -3.948
24 HG2 GLN 3 1HG GLN 3 -9.082 0.232 -4.929
25 HG3 GLN 3 2HG GLN 3 -9.738 0.605 -3.335
26 HE21 GLN 3 1HE2 GLN 3 -7.278 3.226 -5.245
27 HE22 GLN 3 2HE2 GLN 3 -7.491 1.609 -5.817
28 H ARG 4 H ARG 4 -7.195 -3.541 -4.438
29 HA ARG 4 HA ARG 4 -5.157 -4.087 -2.373
30 HB2 ARG 4 1HB ARG 4 -6.271 -6.048 -4.399
31 HB3 ARG 4 2HB ARG 4 -4.975 -6.384 -3.261
32 HG2 ARG 4 1HG ARG 4 -6.710 -5.814 -1.436
33 HG3 ARG 4 2HG ARG 4 -7.904 -5.997 -2.723
34 HD2 ARG 4 1HD ARG 4 -6.004 -8.066 -1.627
35 HD3 ARG 4 2HD ARG 4 -7.767 -8.106 -1.649
36 HE ARG 4 HE ARG 4 -7.574 -8.315 -4.118
37 HH11 ARG 4 1HH1 ARG 4 -4.917 -9.309 -2.059
38 HH12 ARG 4 2HH1 ARG 4 -4.216 -10.358 -3.255
39 HH21 ARG 4 1HH2 ARG 4 -6.666 -9.717 -5.683
40 HH22 ARG 4 2HH2 ARG 4 -5.211 -10.593 -5.315
41 H ARG 5 H ARG 5 -3.050 -4.026 -3.042
42 HA ARG 5 HA ARG 5 -2.527 -3.549 -5.892
43 HB2 ARG 5 1HB ARG 5 -1.704 -1.741 -3.607
44 HB3 ARG 5 2HB ARG 5 -0.991 -1.655 -5.214
45 HG2 ARG 5 1HG ARG 5 -3.929 -1.295 -4.628
46 HG3 ARG 5 2HG ARG 5 -2.772 0.024 -4.826
47 HD2 ARG 5 1HD ARG 5 -2.447 -0.443 -7.096
48 HD3 ARG 5 2HD ARG 5 -3.103 -2.072 -6.952
49 HE ARG 5 HE ARG 5 -5.303 -1.081 -6.725
50 HH11 ARG 5 1HH1 ARG 5 -2.779 1.041 -7.908
51 HH12 ARG 5 2HH1 ARG 5 -3.884 2.067 -8.769
52 HH21 ARG 5 1HH2 ARG 5 -6.744 0.230 -7.868
53 HH22 ARG 5 2HH2 ARG 5 -6.150 1.592 -8.765
54 H ARG 6 H ARG 6 -0.551 -4.156 -6.619
55 HA ARG 6 HA ARG 6 1.316 -5.380 -4.696
56 HB2 ARG 6 1HB ARG 6 0.798 -5.979 -7.618
57 HB3 ARG 6 2HB ARG 6 2.221 -6.565 -6.766
58 HG2 ARG 6 1HG ARG 6 0.801 -7.816 -5.225
59 HG3 ARG 6 2HG ARG 6 -0.639 -7.203 -6.044
60 HD2 ARG 6 1HD ARG 6 0.055 -9.518 -6.730
61 HD3 ARG 6 2HD ARG 6 -0.087 -8.363 -8.055
62 HE ARG 6 HE ARG 6 2.578 -8.515 -7.011
63 HH11 ARG 6 1HH1 ARG 6 0.328 -10.152 -9.149
64 HH12 ARG 6 2HH1 ARG 6 1.575 -10.771 -10.185
65 HH21 ARG 6 1HH2 ARG 6 4.201 -9.303 -8.358
66 HH22 ARG 6 2HH2 ARG 6 3.791 -10.284 -9.737
67 H TYR 7 H TYR 7 3.101 -4.222 -4.372
68 HA TYR 7 HA TYR 7 3.785 -2.142 -6.359
69 HB2 TYR 7 2HB TYR 7 2.935 -1.331 -4.133
70 HB3 TYR 7 1HB TYR 7 4.320 -2.105 -3.370
71 HD1 TYR 7 1HD TYR 7 6.602 -1.205 -3.740
72 HD2 TYR 7 2HD TYR 7 3.164 0.751 -5.324
73 HE1 TYR 7 1HE TYR 7 7.931 0.828 -4.103
74 HE2 TYR 7 2HE TYR 7 4.488 2.792 -5.687
75 HH TYR 7 HH TYR 7 7.864 2.845 -5.553
76 H ARG 8 H ARG 8 5.763 -2.212 -7.222
77 HA ARG 8 HA ARG 8 7.694 -4.126 -6.078
78 HB2 ARG 8 1HB ARG 8 7.318 -3.272 -8.961
79 HB3 ARG 8 2HB ARG 8 8.610 -4.315 -8.389
80 HG2 ARG 8 1HG ARG 8 7.296 -6.061 -8.773
81 HG3 ARG 8 2HG ARG 8 6.241 -5.505 -7.474
82 HD2 ARG 8 1HD ARG 8 6.020 -4.622 -10.354
83 HD3 ARG 8 2HD ARG 8 5.074 -5.924 -9.641
84 HE ARG 8 HE ARG 8 3.988 -4.300 -8.241
85 HH11 ARG 8 1HH1 ARG 8 5.991 -2.937 -10.776
86 HH12 ARG 8 2HH1 ARG 8 5.095 -1.452 -10.849
87 HH21 ARG 8 1HH2 ARG 8 2.817 -2.341 -8.346
88 HH22 ARG 8 2HH2 ARG 8 3.294 -1.114 -9.480
89 H GLY 9 H GLY 9 9.605 -3.385 -5.471
90 HA2 GLY 9 1HA GLY 9 11.216 -1.462 -6.544
91 HA3 GLY 9 2HA GLY 9 10.132 -0.561 -5.489
92 H SER 10 H SER 10 10.049 -1.163 -3.236
93 HA SER 10 HA SER 10 12.035 -2.927 -2.140
94 HB2 SER 10 1HB SER 10 12.275 0.057 -1.614
95 HB3 SER 10 2HB SER 10 13.242 -1.209 -0.853
96 HG SER 10 HG SER 10 13.660 -1.711 -3.283
97 H GLU 11 H GLU 11 11.929 -2.913 0.279
98 HA GLU 11 HA GLU 11 9.353 -3.348 1.187
99 HB2 GLU 11 1HB GLU 11 11.919 -2.781 2.669
100 HB3 GLU 11 2HB GLU 11 10.425 -3.173 3.510
101 HG2 GLU 11 1HG GLU 11 11.667 -4.954 1.421
102 HG3 GLU 11 2HG GLU 11 12.004 -5.087 3.147
103 H GLU 12 H GLU 12 11.428 -0.568 2.060
104 HA GLU 12 HA GLU 12 9.504 0.744 3.609
105 HB2 GLU 12 1HB GLU 12 11.909 1.262 3.690
106 HB3 GLU 12 2HB GLU 12 11.814 1.961 2.078
107 HG2 GLU 12 1HG GLU 12 10.332 3.705 2.887
108 HG3 GLU 12 2HG GLU 12 10.327 2.977 4.494
109 H GLU 13 H GLU 13 10.253 1.019 0.170
110 HA GLU 13 HA GLU 13 8.606 3.186 -0.478
111 HB2 GLU 13 1HB GLU 13 9.133 0.769 -2.230
112 HB3 GLU 13 2HB GLU 13 8.695 2.385 -2.764
113 HG2 GLU 13 1HG GLU 13 11.278 1.594 -1.429
114 HG3 GLU 13 2HG GLU 13 11.048 1.931 -3.141
115 H CYS 14 H CYS 14 7.936 -0.289 -0.504
116 HA CYS 14 HA CYS 14 5.256 -0.183 -1.327
117 HB2 CYS 14 2HB CYS 14 6.398 -2.267 -1.435
118 HB3 CYS 14 1HB CYS 14 6.830 -2.211 0.268
119 H ARG 15 H ARG 15 6.664 -0.342 1.924
120 HA ARG 15 HA ARG 15 4.235 -0.469 3.336
121 HB2 ARG 15 1HB ARG 15 6.895 0.641 4.268
122 HB3 ARG 15 2HB ARG 15 5.564 0.154 5.311
123 HG2 ARG 15 1HG ARG 15 5.801 -2.153 4.597
124 HG3 ARG 15 2HG ARG 15 7.072 -1.695 3.462
125 HD2 ARG 15 1HD ARG 15 8.393 -0.856 5.430
126 HD3 ARG 15 2HD ARG 15 7.165 -1.574 6.475
127 HE ARG 15 HE ARG 15 8.088 -3.523 4.668
128 HH11 ARG 15 1HH1 ARG 15 9.139 -1.737 7.492
129 HH12 ARG 15 2HH1 ARG 15 10.301 -2.934 7.975
130 HH21 ARG 15 1HH2 ARG 15 9.633 -5.087 5.283
131 HH22 ARG 15 2HH2 ARG 15 10.576 -4.844 6.724
132 H LYS 16 H LYS 16 6.327 2.310 2.559
133 HA LYS 16 HA LYS 16 4.780 4.274 3.752
134 HB2 LYS 16 1HB LYS 16 7.173 4.322 2.625
135 HB3 LYS 16 2HB LYS 16 6.257 4.855 1.216
136 HG2 LYS 16 1HG LYS 16 5.235 6.616 2.670
137 HG3 LYS 16 2HG LYS 16 6.388 6.142 3.915
138 HD2 LYS 16 1HD LYS 16 8.247 6.713 2.420
139 HD3 LYS 16 2HD LYS 16 7.093 7.173 1.161
140 HE2 LYS 16 1HE LYS 16 6.178 8.899 2.698
141 HE3 LYS 16 2HE LYS 16 7.439 8.484 3.862
142 HZ1 LYS 16 1HZ LYS 16 9.081 9.071 2.124
143 HZ2 LYS 16 2HZ LYS 16 8.138 10.373 2.638
144 HZ3 LYS 16 3HZ LYS 16 7.812 9.629 1.151
145 H TYR 17 H TYR 17 4.632 2.861 0.501
146 HA TYR 17 HA TYR 17 2.691 4.548 -0.606
147 HB2 TYR 17 2HB TYR 17 3.912 2.947 -1.978
148 HB3 TYR 17 1HB TYR 17 3.204 1.596 -1.101
149 HD1 TYR 17 1HD TYR 17 1.044 0.743 -1.684
150 HD2 TYR 17 2HD TYR 17 2.463 4.334 -3.497
151 HE1 TYR 17 1HE TYR 17 -0.805 0.654 -3.300
152 HE2 TYR 17 2HE TYR 17 0.612 4.245 -5.118
153 HH TYR 17 HH TYR 17 -0.898 2.501 -6.100
154 H ALA 18 H ALA 18 2.318 1.496 1.170
155 HA ALA 18 HA ALA 18 -0.467 1.344 1.204
156 HB1 ALA 18 1HB ALA 18 1.470 0.444 3.349
157 HB2 ALA 18 2HB ALA 18 1.004 -0.484 1.924
158 HB3 ALA 18 3HB ALA 18 -0.197 -0.105 3.160
159 H GLU 19 H GLU 19 1.764 2.907 3.466
160 HA GLU 19 HA GLU 19 -0.108 3.838 5.324
161 HB2 GLU 19 1HB GLU 19 2.277 3.829 5.800
162 HB3 GLU 19 2HB GLU 19 2.577 4.984 4.511
163 HG2 GLU 19 1HG GLU 19 2.664 6.017 6.727
164 HG3 GLU 19 2HG GLU 19 1.388 6.706 5.723
165 H GLU 20 H GLU 20 1.336 5.516 2.537
166 HA GLU 20 HA GLU 20 0.054 7.951 2.710
167 HB2 GLU 20 1HB GLU 20 0.861 6.382 0.249
168 HB3 GLU 20 2HB GLU 20 0.304 8.049 0.193
169 HG2 GLU 20 1HG GLU 20 2.713 7.123 1.750
170 HG3 GLU 20 2HG GLU 20 2.778 7.768 0.114
171 H LEU 21 H LEU 21 -1.018 5.082 0.898
172 HA LEU 21 HA LEU 21 -3.409 6.219 -0.063
173 HB2 LEU 21 1HB LEU 21 -2.307 4.226 -1.020
174 HB3 LEU 21 2HB LEU 21 -2.739 3.309 0.410
175 HG LEU 21 HG LEU 21 -5.103 3.473 -0.133
176 HD11 LEU 21 1HD1 LEU 21 -5.850 4.514 -2.238
177 HD12 LEU 21 2HD1 LEU 21 -4.215 5.129 -2.498
178 HD13 LEU 21 3HD1 LEU 21 -5.159 5.685 -1.114
179 HD21 LEU 21 1HD2 LEU 21 -5.139 2.159 -2.191
180 HD22 LEU 21 2HD2 LEU 21 -3.828 1.638 -1.133
181 HD23 LEU 21 3HD2 LEU 21 -3.478 2.642 -2.543
182 H SER 22 H SER 22 -2.663 4.396 2.860
183 HA SER 22 HA SER 22 -5.352 3.970 3.664
184 HB2 SER 22 1HB SER 22 -3.409 2.607 4.446
185 HB3 SER 22 2HB SER 22 -2.856 3.990 5.389
186 HG SER 22 HG SER 22 -5.141 2.378 5.755
187 H ARG 23 H ARG 23 -2.927 6.424 4.549
188 HA ARG 23 HA ARG 23 -4.680 7.706 6.425
189 HB2 ARG 23 1HB ARG 23 -2.911 9.419 6.617
190 HB3 ARG 23 2HB ARG 23 -2.290 7.791 6.820
191 HG2 ARG 23 1HG ARG 23 -0.666 8.788 5.511
192 HG3 ARG 23 2HG ARG 23 -1.657 7.957 4.317
193 HD2 ARG 23 1HD ARG 23 -1.028 10.226 3.610
194 HD3 ARG 23 2HD ARG 23 -2.772 10.019 3.741
195 HE ARG 23 HE ARG 23 -1.480 11.132 6.083
196 HH11 ARG 23 1HH1 ARG 23 -3.078 11.803 3.045
197 HH12 ARG 23 2HH1 ARG 23 -3.565 13.404 3.496
198 HH21 ARG 23 1HH2 ARG 23 -2.085 13.245 6.686
199 HH22 ARG 23 2HH2 ARG 23 -2.992 14.225 5.578
200 H ARG 24 H ARG 24 -4.026 8.010 3.039
201 HA ARG 24 HA ARG 24 -5.063 10.678 2.802
202 HB2 ARG 24 1HB ARG 24 -3.377 9.778 1.233
203 HB3 ARG 24 2HB ARG 24 -4.555 8.612 0.647
204 HG2 ARG 24 1HG ARG 24 -5.930 10.371 -0.256
205 HG3 ARG 24 2HG ARG 24 -4.902 11.603 0.475
206 HD2 ARG 24 1HD ARG 24 -4.363 11.435 -1.862
207 HD3 ARG 24 2HD ARG 24 -3.016 10.794 -0.923
208 HE ARG 24 HE ARG 24 -5.025 9.021 -2.152
209 HH11 ARG 24 1HH1 ARG 24 -1.687 9.937 -1.598
210 HH12 ARG 24 2HH1 ARG 24 -1.044 8.659 -2.581
211 HH21 ARG 24 1HH2 ARG 24 -4.179 7.322 -3.416
212 HH22 ARG 24 2HH2 ARG 24 -2.460 7.171 -3.615
213 H THR 25 H THR 25 -6.233 7.431 2.038
214 HA THR 25 HA THR 25 -8.984 8.489 1.951
215 HB THR 25 HB THR 25 -9.410 6.582 0.278
216 HG1 THR 25 1HG THR 25 -7.122 5.783 0.756
217 HG21 THR 25 1HG2 THR 25 -8.689 7.932 -1.643
218 HG22 THR 25 2HG2 THR 25 -7.660 8.895 -0.584
219 HG23 THR 25 3HG2 THR 25 -9.411 8.943 -0.390
220 H GLY 26 H GLY 26 -10.024 7.737 3.667
221 HA2 GLY 26 1HA GLY 26 -9.195 5.481 5.192
222 HA3 GLY 26 2HA GLY 26 -10.680 6.396 5.410
223 H CYS 27 H CYS 27 -9.182 3.958 3.338
224 HA CYS 27 HA CYS 27 -11.834 2.725 2.946
225 HB2 CYS 27 2HB CYS 27 -9.472 2.881 1.053
226 HB3 CYS 27 1HB CYS 27 -10.881 1.858 0.777
227 H GLU 28 H GLU 28 -10.970 0.358 1.795
228 HA GLU 28 HA GLU 28 -9.429 -0.914 3.971
229 HB2 GLU 28 1HB GLU 28 -11.811 -1.642 3.755
230 HB3 GLU 28 2HB GLU 28 -11.479 -2.156 2.106
231 HG2 GLU 28 1HG GLU 28 -11.429 -4.094 3.451
232 HG3 GLU 28 2HG GLU 28 -9.754 -3.720 3.043
233 H VAL 29 H VAL 29 -7.385 -1.107 3.258
234 HA VAL 29 HA VAL 29 -6.948 -1.764 0.413
235 HB VAL 29 HB VAL 29 -6.314 0.543 0.864
236 HG11 VAL 29 1HG1 VAL 29 -4.467 -0.581 2.978
237 HG12 VAL 29 2HG1 VAL 29 -5.907 0.399 3.258
238 HG13 VAL 29 3HG1 VAL 29 -4.511 1.101 2.442
239 HG21 VAL 29 1HG2 VAL 29 -3.894 -1.237 0.527
240 HG22 VAL 29 2HG2 VAL 29 -3.979 0.475 0.111
241 HG23 VAL 29 3HG2 VAL 29 -4.976 -0.694 -0.756
242 H GLU 30 H GLU 30 -5.422 -3.232 -0.121
243 HA GLU 30 HA GLU 30 -3.683 -4.327 1.986
244 HB2 GLU 30 1HB GLU 30 -5.461 -5.965 1.620
245 HB3 GLU 30 2HB GLU 30 -5.184 -5.919 -0.116
246 HG2 GLU 30 1HG GLU 30 -2.878 -6.784 0.297
247 HG3 GLU 30 2HG GLU 30 -3.308 -6.967 1.997
248 H VAL 31 H VAL 31 -1.614 -4.021 1.396
249 HA VAL 31 HA VAL 31 -0.990 -3.813 -1.476
250 HB VAL 31 HB VAL 31 0.430 -2.460 0.840
251 HG11 VAL 31 1HG1 VAL 31 0.908 -2.254 -2.139
252 HG12 VAL 31 2HG1 VAL 31 1.984 -2.995 -0.954
253 HG13 VAL 31 3HG1 VAL 31 1.685 -1.257 -0.909
254 HG21 VAL 31 1HG2 VAL 31 -0.457 -0.372 -0.082
255 HG22 VAL 31 2HG2 VAL 31 -1.754 -1.464 0.402
256 HG23 VAL 31 3HG2 VAL 31 -1.345 -1.283 -1.305
257 H GLU 32 H GLU 32 0.760 -4.897 -2.240
258 HA GLU 32 HA GLU 32 2.126 -6.756 -0.402
259 HB2 GLU 32 1HB GLU 32 0.737 -7.887 -2.107
260 HB3 GLU 32 2HB GLU 32 1.610 -7.045 -3.382
261 HG2 GLU 32 1HG GLU 32 3.659 -8.201 -2.783
262 HG3 GLU 32 2HG GLU 32 2.845 -8.985 -1.431
263 H CYS 33 H CYS 33 4.378 -7.053 -0.702
264 HA CYS 33 HA CYS 33 5.664 -4.688 -1.907
265 HB2 CYS 33 2HB CYS 33 6.619 -6.330 0.456
266 HB3 CYS 33 1HB CYS 33 7.323 -4.826 -0.134
267 H GLU 34 H GLU 34 6.885 -5.111 -3.584
268 HA GLU 34 HA GLU 34 8.318 -7.676 -3.779
269 HB2 GLU 34 1HB GLU 34 6.893 -6.249 -6.038
270 HB3 GLU 34 2HB GLU 34 7.859 -7.708 -6.194
271 HG2 GLU 34 1HG GLU 34 6.260 -8.898 -4.753
272 HG3 GLU 34 2HG GLU 34 5.274 -7.436 -4.669
273 H THR 35 H THR 35 9.887 -7.434 -5.792
274 HA THR 35 HA THR 35 10.962 -4.786 -6.160
275 HB THR 35 HB THR 35 12.149 -5.244 -4.149
276 HG1 THR 35 1HG THR 35 14.010 -4.722 -4.984
277 HG21 THR 35 1HG2 THR 35 11.753 -7.640 -3.953
278 HG22 THR 35 2HG2 THR 35 13.473 -7.290 -3.775
279 HG23 THR 35 3HG2 THR 35 12.862 -7.952 -5.291
Start of MODEL 16
1 H1 CYS 1 1H CYS 1 -15.802 -0.505 -0.787
2 H2 CYS 1 2H CYS 1 -16.344 0.903 -1.544
3 H3 CYS 1 3H CYS 1 -15.429 1.004 -0.126
4 HA CYS 1 HA CYS 1 -14.475 -0.058 -2.708
5 HB2 CYS 1 2HB CYS 1 -13.004 2.033 -2.604
6 HB3 CYS 1 1HB CYS 1 -14.703 2.287 -2.981
7 H LYS 2 H LYS 2 -13.461 -1.870 -1.885
8 HA LYS 2 HA LYS 2 -11.135 -1.297 -0.159
9 HB2 LYS 2 1HB LYS 2 -11.106 -3.841 0.200
10 HB3 LYS 2 2HB LYS 2 -12.347 -2.920 1.038
11 HG2 LYS 2 1HG LYS 2 -14.039 -3.665 -0.417
12 HG3 LYS 2 2HG LYS 2 -12.874 -4.265 -1.597
13 HD2 LYS 2 1HD LYS 2 -14.038 -6.018 -0.194
14 HD3 LYS 2 2HD LYS 2 -12.277 -6.098 -0.222
15 HE2 LYS 2 1HE LYS 2 -13.159 -6.445 2.038
16 HE3 LYS 2 2HE LYS 2 -12.171 -4.991 1.947
17 HZ1 LYS 2 1HZ LYS 2 -14.155 -4.597 3.228
18 HZ2 LYS 2 2HZ LYS 2 -15.139 -5.082 1.942
19 HZ3 LYS 2 3HZ LYS 2 -14.209 -3.679 1.812
20 H GLN 3 H GLN 3 -9.155 -1.660 -0.996
21 HA GLN 3 HA GLN 3 -9.094 -2.515 -3.818
22 HB2 GLN 3 1HB GLN 3 -7.252 -0.547 -2.441
23 HB3 GLN 3 2HB GLN 3 -7.276 -0.940 -4.157
24 HG2 GLN 3 1HG GLN 3 -9.474 0.439 -2.618
25 HG3 GLN 3 2HG GLN 3 -8.336 1.206 -3.724
26 HE21 GLN 3 1HE2 GLN 3 -10.023 0.246 -6.636
27 HE22 GLN 3 2HE2 GLN 3 -8.559 0.856 -5.950
28 H ARG 4 H ARG 4 -7.336 -3.689 -4.560
29 HA ARG 4 HA ARG 4 -5.445 -4.752 -2.563
30 HB2 ARG 4 1HB ARG 4 -7.176 -6.210 -4.517
31 HB3 ARG 4 2HB ARG 4 -5.548 -6.823 -4.279
32 HG2 ARG 4 1HG ARG 4 -7.361 -6.300 -1.942
33 HG3 ARG 4 2HG ARG 4 -7.449 -7.808 -2.855
34 HD2 ARG 4 1HD ARG 4 -4.959 -6.720 -1.526
35 HD3 ARG 4 2HD ARG 4 -5.990 -7.991 -0.863
36 HE ARG 4 HE ARG 4 -5.363 -8.955 -3.303
37 HH11 ARG 4 1HH1 ARG 4 -3.366 -7.757 -0.666
38 HH12 ARG 4 2HH1 ARG 4 -2.009 -8.730 -1.115
39 HH21 ARG 4 1HH2 ARG 4 -3.585 -10.210 -3.870
40 HH22 ARG 4 2HH2 ARG 4 -2.120 -10.114 -2.948
41 H ARG 5 H ARG 5 -3.487 -4.050 -3.068
42 HA ARG 5 HA ARG 5 -2.735 -3.735 -5.898
43 HB2 ARG 5 1HB ARG 5 -2.310 -1.802 -3.613
44 HB3 ARG 5 2HB ARG 5 -1.369 -1.723 -5.096
45 HG2 ARG 5 1HG ARG 5 -4.366 -1.455 -4.900
46 HG3 ARG 5 2HG ARG 5 -3.219 -0.129 -5.102
47 HD2 ARG 5 1HD ARG 5 -2.452 -1.255 -7.217
48 HD3 ARG 5 2HD ARG 5 -3.809 -2.367 -7.035
49 HE ARG 5 HE ARG 5 -4.811 0.235 -6.911
50 HH11 ARG 5 1HH1 ARG 5 -3.259 -1.885 -9.226
51 HH12 ARG 5 2HH1 ARG 5 -3.981 -1.119 -10.605
52 HH21 ARG 5 1HH2 ARG 5 -5.764 1.246 -8.738
53 HH22 ARG 5 2HH2 ARG 5 -5.396 0.653 -10.328
54 H ARG 6 H ARG 6 -0.478 -3.817 -6.307
55 HA ARG 6 HA ARG 6 1.224 -4.824 -4.132
56 HB2 ARG 6 1HB ARG 6 2.346 -6.333 -5.732
57 HB3 ARG 6 2HB ARG 6 0.654 -6.754 -5.514
58 HG2 ARG 6 1HG ARG 6 0.095 -5.677 -7.632
59 HG3 ARG 6 2HG ARG 6 1.784 -5.206 -7.845
60 HD2 ARG 6 1HD ARG 6 2.454 -7.527 -7.950
61 HD3 ARG 6 2HD ARG 6 0.806 -8.051 -7.609
62 HE ARG 6 HE ARG 6 0.926 -6.409 -9.934
63 HH11 ARG 6 1HH1 ARG 6 1.552 -9.653 -8.787
64 HH12 ARG 6 2HH1 ARG 6 1.286 -10.383 -10.337
65 HH21 ARG 6 1HH2 ARG 6 0.595 -7.354 -11.971
66 HH22 ARG 6 2HH2 ARG 6 0.746 -9.076 -12.157
67 H TYR 7 H TYR 7 3.315 -4.029 -4.172
68 HA TYR 7 HA TYR 7 3.937 -2.083 -6.292
69 HB2 TYR 7 2HB TYR 7 3.007 -1.093 -4.059
70 HB3 TYR 7 1HB TYR 7 4.580 -1.521 -3.395
71 HD1 TYR 7 1HD TYR 7 6.619 -0.367 -4.189
72 HD2 TYR 7 2HD TYR 7 2.756 0.739 -5.598
73 HE1 TYR 7 1HE TYR 7 7.537 1.744 -5.042
74 HE2 TYR 7 2HE TYR 7 3.668 2.855 -6.452
75 HH TYR 7 HH TYR 7 7.009 3.441 -6.715
76 H ARG 8 H ARG 8 5.929 -2.348 -7.092
77 HA ARG 8 HA ARG 8 7.785 -4.084 -5.595
78 HB2 ARG 8 1HB ARG 8 6.969 -5.121 -7.668
79 HB3 ARG 8 2HB ARG 8 7.516 -3.729 -8.593
80 HG2 ARG 8 1HG ARG 8 9.822 -4.211 -8.008
81 HG3 ARG 8 2HG ARG 8 9.305 -5.570 -7.010
82 HD2 ARG 8 1HD ARG 8 8.385 -6.665 -9.014
83 HD3 ARG 8 2HD ARG 8 8.953 -5.314 -10.000
84 HE ARG 8 HE ARG 8 11.142 -6.275 -8.580
85 HH11 ARG 8 1HH1 ARG 8 8.972 -7.404 -11.090
86 HH12 ARG 8 2HH1 ARG 8 10.128 -8.518 -11.754
87 HH21 ARG 8 1HH2 ARG 8 12.662 -7.713 -9.480
88 HH22 ARG 8 2HH2 ARG 8 12.219 -8.683 -10.853
89 H GLY 9 H GLY 9 9.702 -3.309 -5.085
90 HA2 GLY 9 1HA GLY 9 11.374 -1.634 -6.480
91 HA3 GLY 9 2HA GLY 9 10.348 -0.556 -5.538
92 H SER 10 H SER 10 10.062 -1.448 -3.174
93 HA SER 10 HA SER 10 12.137 -2.894 -1.953
94 HB2 SER 10 1HB SER 10 13.307 -1.026 -0.797
95 HB3 SER 10 2HB SER 10 13.548 -0.977 -2.542
96 HG SER 10 HG SER 10 12.640 0.907 -2.569
97 H GLU 11 H GLU 11 12.099 -2.535 0.495
98 HA GLU 11 HA GLU 11 9.530 -2.630 1.568
99 HB2 GLU 11 1HB GLU 11 12.204 -1.976 2.825
100 HB3 GLU 11 2HB GLU 11 10.729 -2.110 3.772
101 HG2 GLU 11 1HG GLU 11 11.881 -4.303 2.054
102 HG3 GLU 11 2HG GLU 11 12.096 -4.160 3.798
103 H GLU 12 H GLU 12 11.823 0.058 1.388
104 HA GLU 12 HA GLU 12 10.447 2.011 2.773
105 HB2 GLU 12 1HB GLU 12 12.757 2.220 1.837
106 HB3 GLU 12 2HB GLU 12 12.062 2.403 0.234
107 HG2 GLU 12 1HG GLU 12 12.675 4.559 1.092
108 HG3 GLU 12 2HG GLU 12 10.917 4.456 0.995
109 H GLU 13 H GLU 13 10.382 1.466 -0.732
110 HA GLU 13 HA GLU 13 8.438 3.340 -1.390
111 HB2 GLU 13 1HB GLU 13 9.173 0.749 -2.765
112 HB3 GLU 13 2HB GLU 13 8.189 2.013 -3.492
113 HG2 GLU 13 1HG GLU 13 11.009 2.442 -2.520
114 HG3 GLU 13 2HG GLU 13 10.598 1.998 -4.176
115 H CYS 14 H CYS 14 8.007 -0.171 -0.827
116 HA CYS 14 HA CYS 14 5.236 -0.131 -1.427
117 HB2 CYS 14 2HB CYS 14 6.480 -2.201 -1.601
118 HB3 CYS 14 1HB CYS 14 6.870 -2.158 0.116
119 H ARG 15 H ARG 15 6.985 -0.163 1.666
120 HA ARG 15 HA ARG 15 4.655 -0.377 3.259
121 HB2 ARG 15 1HB ARG 15 7.436 0.575 3.977
122 HB3 ARG 15 2HB ARG 15 6.170 0.200 5.144
123 HG2 ARG 15 1HG ARG 15 6.156 -2.109 4.487
124 HG3 ARG 15 2HG ARG 15 7.241 -1.781 3.138
125 HD2 ARG 15 1HD ARG 15 8.484 -2.805 4.920
126 HD3 ARG 15 2HD ARG 15 8.995 -1.128 4.741
127 HE ARG 15 HE ARG 15 7.075 -1.056 6.686
128 HH11 ARG 15 1HH1 ARG 15 10.037 -2.856 6.230
129 HH12 ARG 15 2HH1 ARG 15 10.413 -2.925 7.920
130 HH21 ARG 15 1HH2 ARG 15 7.542 -1.159 8.918
131 HH22 ARG 15 2HH2 ARG 15 8.997 -1.949 9.458
132 H LYS 16 H LYS 16 6.595 2.416 2.191
133 HA LYS 16 HA LYS 16 5.063 4.383 3.540
134 HB2 LYS 16 1HB LYS 16 6.729 4.465 1.025
135 HB3 LYS 16 2HB LYS 16 5.888 5.887 1.629
136 HG2 LYS 16 1HG LYS 16 7.887 4.308 3.241
137 HG3 LYS 16 2HG LYS 16 8.293 5.727 2.274
138 HD2 LYS 16 1HD LYS 16 6.654 7.046 3.602
139 HD3 LYS 16 2HD LYS 16 6.385 5.627 4.616
140 HE2 LYS 16 1HE LYS 16 7.981 7.266 5.597
141 HE3 LYS 16 2HE LYS 16 8.663 5.655 5.368
142 HZ1 LYS 16 1HZ LYS 16 10.116 7.550 4.670
143 HZ2 LYS 16 2HZ LYS 16 9.034 7.846 3.405
144 HZ3 LYS 16 3HZ LYS 16 9.857 6.373 3.486
145 H TYR 17 H TYR 17 4.772 2.953 0.307
146 HA TYR 17 HA TYR 17 2.617 4.420 -0.657
147 HB2 TYR 17 2HB TYR 17 3.916 2.860 -2.047
148 HB3 TYR 17 1HB TYR 17 3.282 1.496 -1.139
149 HD1 TYR 17 1HD TYR 17 1.189 0.519 -1.707
150 HD2 TYR 17 2HD TYR 17 2.352 4.210 -3.489
151 HE1 TYR 17 1HE TYR 17 -0.668 0.325 -3.307
152 HE2 TYR 17 2HE TYR 17 0.494 4.027 -5.094
153 HH TYR 17 HH TYR 17 -2.052 1.823 -4.728
154 H ALA 18 H ALA 18 2.626 1.442 1.276
155 HA ALA 18 HA ALA 18 -0.176 1.082 1.329
156 HB1 ALA 18 1HB ALA 18 1.912 0.064 3.267
157 HB2 ALA 18 2HB ALA 18 1.396 -0.740 1.785
158 HB3 ALA 18 3HB ALA 18 0.258 -0.536 3.116
159 H GLU 19 H GLU 19 2.081 2.574 3.626
160 HA GLU 19 HA GLU 19 0.275 3.159 5.685
161 HB2 GLU 19 1HB GLU 19 2.908 3.403 5.481
162 HB3 GLU 19 2HB GLU 19 2.521 5.047 5.004
163 HG2 GLU 19 1HG GLU 19 1.681 3.762 7.603
164 HG3 GLU 19 2HG GLU 19 3.093 4.792 7.397
165 H GLU 20 H GLU 20 1.462 5.302 3.099
166 HA GLU 20 HA GLU 20 -0.216 7.466 3.593
167 HB2 GLU 20 1HB GLU 20 0.907 6.560 0.936
168 HB3 GLU 20 2HB GLU 20 0.249 8.156 1.275
169 HG2 GLU 20 1HG GLU 20 2.030 8.504 2.947
170 HG3 GLU 20 2HG GLU 20 2.703 6.930 2.523
171 H LEU 21 H LEU 21 -0.708 4.603 1.575
172 HA LEU 21 HA LEU 21 -3.097 5.371 0.351
173 HB2 LEU 21 1HB LEU 21 -1.568 2.935 0.688
174 HB3 LEU 21 2HB LEU 21 -3.273 2.585 0.877
175 HG LEU 21 HG LEU 21 -2.504 2.232 -1.429
176 HD11 LEU 21 1HD1 LEU 21 -4.265 3.501 -2.552
177 HD12 LEU 21 2HD1 LEU 21 -4.421 4.545 -1.140
178 HD13 LEU 21 3HD1 LEU 21 -4.831 2.834 -1.020
179 HD21 LEU 21 1HD2 LEU 21 -1.876 4.140 -2.828
180 HD22 LEU 21 2HD2 LEU 21 -0.735 3.908 -1.502
181 HD23 LEU 21 3HD2 LEU 21 -1.936 5.200 -1.418
182 H SER 22 H SER 22 -2.601 3.508 3.326
183 HA SER 22 HA SER 22 -5.302 3.111 3.914
184 HB2 SER 22 1HB SER 22 -3.447 1.817 4.916
185 HB3 SER 22 2HB SER 22 -2.971 3.236 5.848
186 HG SER 22 HG SER 22 -4.654 2.977 7.149
187 H ARG 23 H ARG 23 -3.056 5.675 4.974
188 HA ARG 23 HA ARG 23 -5.063 6.856 6.692
189 HB2 ARG 23 1HB ARG 23 -3.403 8.517 7.225
190 HB3 ARG 23 2HB ARG 23 -2.638 6.933 7.217
191 HG2 ARG 23 1HG ARG 23 -1.796 7.413 4.922
192 HG3 ARG 23 2HG ARG 23 -2.456 9.044 5.069
193 HD2 ARG 23 1HD ARG 23 -0.351 7.800 6.837
194 HD3 ARG 23 2HD ARG 23 -0.079 9.013 5.588
195 HE ARG 23 HE ARG 23 -1.860 10.232 7.206
196 HH11 ARG 23 1HH1 ARG 23 1.131 8.531 7.860
197 HH12 ARG 23 2HH1 ARG 23 1.553 9.537 9.218
198 HH21 ARG 23 1HH2 ARG 23 -1.325 11.545 8.987
199 HH22 ARG 23 2HH2 ARG 23 0.146 11.259 9.865
200 H ARG 24 H ARG 24 -3.787 7.540 3.469
201 HA ARG 24 HA ARG 24 -4.951 10.193 3.387
202 HB2 ARG 24 1HB ARG 24 -2.746 9.768 2.399
203 HB3 ARG 24 2HB ARG 24 -3.457 8.615 1.280
204 HG2 ARG 24 1HG ARG 24 -4.732 10.412 0.225
205 HG3 ARG 24 2HG ARG 24 -4.041 11.570 1.362
206 HD2 ARG 24 1HD ARG 24 -2.851 11.639 -0.770
207 HD3 ARG 24 2HD ARG 24 -1.794 11.061 0.520
208 HE ARG 24 HE ARG 24 -3.162 9.090 -1.168
209 HH11 ARG 24 1HH1 ARG 24 -0.160 10.652 -0.228
210 HH12 ARG 24 2HH1 ARG 24 0.838 9.469 -1.018
211 HH21 ARG 24 1HH2 ARG 24 -1.836 7.534 -2.181
212 HH22 ARG 24 2HH2 ARG 24 -0.107 7.684 -2.093
213 H THR 25 H THR 25 -5.457 7.079 1.761
214 HA THR 25 HA THR 25 -7.519 8.113 0.052
215 HB THR 25 HB THR 25 -6.786 5.229 0.635
216 HG1 THR 25 1HG THR 25 -5.593 7.214 -0.869
217 HG21 THR 25 1HG2 THR 25 -8.284 6.458 -1.698
218 HG22 THR 25 2HG2 THR 25 -8.988 5.453 -0.430
219 HG23 THR 25 3HG2 THR 25 -7.815 4.765 -1.551
220 H GLY 26 H GLY 26 -9.616 8.325 0.495
221 HA2 GLY 26 1HA GLY 26 -10.720 7.502 3.028
222 HA3 GLY 26 2HA GLY 26 -11.569 8.334 1.731
223 H CYS 27 H CYS 27 -10.044 5.189 2.317
224 HA CYS 27 HA CYS 27 -12.405 3.677 1.792
225 HB2 CYS 27 2HB CYS 27 -10.263 3.850 -0.342
226 HB3 CYS 27 1HB CYS 27 -11.314 2.445 -0.201
227 H GLU 28 H GLU 28 -11.348 1.236 1.216
228 HA GLU 28 HA GLU 28 -9.328 0.799 3.326
229 HB2 GLU 28 1HB GLU 28 -11.452 -0.263 3.869
230 HB3 GLU 28 2HB GLU 28 -11.517 -1.025 2.287
231 HG2 GLU 28 1HG GLU 28 -9.585 -2.394 2.843
232 HG3 GLU 28 2HG GLU 28 -9.444 -1.589 4.404
233 H VAL 29 H VAL 29 -7.550 -0.511 2.803
234 HA VAL 29 HA VAL 29 -7.285 -1.392 0.038
235 HB VAL 29 HB VAL 29 -6.603 0.968 -0.019
236 HG11 VAL 29 1HG1 VAL 29 -4.636 1.754 1.211
237 HG12 VAL 29 2HG1 VAL 29 -4.508 0.190 2.016
238 HG13 VAL 29 3HG1 VAL 29 -5.907 1.223 2.313
239 HG21 VAL 29 1HG2 VAL 29 -4.379 0.674 -1.020
240 HG22 VAL 29 2HG2 VAL 29 -5.490 -0.599 -1.527
241 HG23 VAL 29 3HG2 VAL 29 -4.268 -0.932 -0.299
242 H GLU 30 H GLU 30 -5.704 -2.904 -0.292
243 HA GLU 30 HA GLU 30 -4.020 -3.712 1.984
244 HB2 GLU 30 1HB GLU 30 -6.179 -5.177 1.284
245 HB3 GLU 30 2HB GLU 30 -5.040 -5.812 0.108
246 HG2 GLU 30 1HG GLU 30 -4.752 -5.849 3.107
247 HG3 GLU 30 2HG GLU 30 -5.090 -7.221 2.054
248 H VAL 31 H VAL 31 -1.914 -4.354 1.350
249 HA VAL 31 HA VAL 31 -1.274 -3.956 -1.499
250 HB VAL 31 HB VAL 31 0.125 -2.482 0.759
251 HG11 VAL 31 1HG1 VAL 31 1.399 -1.364 -1.032
252 HG12 VAL 31 2HG1 VAL 31 0.639 -2.424 -2.221
253 HG13 VAL 31 3HG1 VAL 31 1.702 -3.102 -0.987
254 HG21 VAL 31 1HG2 VAL 31 -0.754 -0.434 -0.297
255 HG22 VAL 31 2HG2 VAL 31 -2.051 -1.491 0.259
256 HG23 VAL 31 3HG2 VAL 31 -1.647 -1.420 -1.457
257 H GLU 32 H GLU 32 0.544 -5.006 -2.236
258 HA GLU 32 HA GLU 32 1.908 -6.827 -0.344
259 HB2 GLU 32 1HB GLU 32 1.256 -7.102 -3.284
260 HB3 GLU 32 2HB GLU 32 2.448 -8.126 -2.495
261 HG2 GLU 32 1HG GLU 32 -0.394 -7.895 -1.541
262 HG3 GLU 32 2HG GLU 32 0.126 -9.085 -2.732
263 H CYS 33 H CYS 33 4.178 -7.112 -0.589
264 HA CYS 33 HA CYS 33 5.502 -4.773 -1.812
265 HB2 CYS 33 2HB CYS 33 6.266 -6.330 0.678
266 HB3 CYS 33 1HB CYS 33 7.194 -4.997 -0.006
267 H GLU 34 H GLU 34 6.837 -5.202 -3.415
268 HA GLU 34 HA GLU 34 8.376 -7.717 -3.395
269 HB2 GLU 34 1HB GLU 34 7.143 -6.374 -5.826
270 HB3 GLU 34 2HB GLU 34 8.215 -7.768 -5.872
271 HG2 GLU 34 1HG GLU 34 6.565 -9.086 -4.636
272 HG3 GLU 34 2HG GLU 34 5.486 -7.693 -4.581
273 H THR 35 H THR 35 10.346 -7.490 -4.891
274 HA THR 35 HA THR 35 11.388 -4.735 -4.916
275 HB THR 35 HB THR 35 12.927 -7.156 -3.920
276 HG1 THR 35 1HG THR 35 11.265 -5.517 -2.648
277 HG21 THR 35 1HG2 THR 35 14.695 -5.533 -3.373
278 HG22 THR 35 2HG2 THR 35 13.749 -4.248 -4.120
279 HG23 THR 35 3HG2 THR 35 14.374 -5.571 -5.106
Start of MODEL 17
1 H1 CYS 1 1H CYS 1 -15.941 -0.145 0.339
2 H2 CYS 1 2H CYS 1 -14.836 -0.005 1.614
3 H3 CYS 1 3H CYS 1 -15.101 -1.505 0.890
4 HA CYS 1 HA CYS 1 -14.178 -0.752 -1.162
5 HB2 CYS 1 2HB CYS 1 -12.933 1.527 -1.018
6 HB3 CYS 1 1HB CYS 1 -14.672 1.527 -1.291
7 H LYS 2 H LYS 2 -12.995 -2.540 -0.441
8 HA LYS 2 HA LYS 2 -10.430 -1.864 0.852
9 HB2 LYS 2 1HB LYS 2 -11.793 -4.566 0.663
10 HB3 LYS 2 2HB LYS 2 -10.228 -4.265 1.408
11 HG2 LYS 2 1HG LYS 2 -11.373 -2.755 3.035
12 HG3 LYS 2 2HG LYS 2 -12.914 -3.269 2.344
13 HD2 LYS 2 1HD LYS 2 -12.398 -5.598 2.937
14 HD3 LYS 2 2HD LYS 2 -10.860 -5.083 3.629
15 HE2 LYS 2 1HE LYS 2 -12.143 -3.648 5.226
16 HE3 LYS 2 2HE LYS 2 -13.628 -4.349 4.585
17 HZ1 LYS 2 1HZ LYS 2 -12.792 -6.547 5.271
18 HZ2 LYS 2 2HZ LYS 2 -12.989 -5.496 6.577
19 HZ3 LYS 2 3HZ LYS 2 -11.444 -5.808 5.976
20 H GLN 3 H GLN 3 -8.578 -2.225 -0.305
21 HA GLN 3 HA GLN 3 -8.842 -3.503 -2.948
22 HB2 GLN 3 1HB GLN 3 -7.538 -0.826 -2.398
23 HB3 GLN 3 2HB GLN 3 -7.488 -1.676 -3.937
24 HG2 GLN 3 1HG GLN 3 -9.872 -1.448 -4.199
25 HG3 GLN 3 2HG GLN 3 -10.019 -0.733 -2.593
26 HE21 GLN 3 1HE2 GLN 3 -9.058 2.473 -3.583
27 HE22 GLN 3 2HE2 GLN 3 -9.334 1.387 -2.269
28 H ARG 4 H ARG 4 -7.053 -4.527 -3.725
29 HA ARG 4 HA ARG 4 -4.613 -4.524 -2.062
30 HB2 ARG 4 1HB ARG 4 -6.073 -6.732 -3.449
31 HB3 ARG 4 2HB ARG 4 -4.318 -6.820 -3.422
32 HG2 ARG 4 1HG ARG 4 -6.055 -6.556 -0.970
33 HG3 ARG 4 2HG ARG 4 -5.395 -8.073 -1.586
34 HD2 ARG 4 1HD ARG 4 -3.109 -7.120 -1.338
35 HD3 ARG 4 2HD ARG 4 -3.824 -5.682 -0.610
36 HE ARG 4 HE ARG 4 -4.708 -7.923 0.819
37 HH11 ARG 4 1HH1 ARG 4 -1.740 -6.175 0.205
38 HH12 ARG 4 2HH1 ARG 4 -1.028 -6.576 1.736
39 HH21 ARG 4 1HH2 ARG 4 -3.769 -8.470 2.834
40 HH22 ARG 4 2HH2 ARG 4 -2.187 -7.883 3.233
41 H ARG 5 H ARG 5 -2.833 -3.760 -3.015
42 HA ARG 5 HA ARG 5 -2.827 -3.506 -5.969
43 HB2 ARG 5 1HB ARG 5 -1.497 -1.671 -3.965
44 HB3 ARG 5 2HB ARG 5 -1.488 -1.468 -5.708
45 HG2 ARG 5 1HG ARG 5 -4.008 -1.424 -4.053
46 HG3 ARG 5 2HG ARG 5 -3.062 0.018 -4.419
47 HD2 ARG 5 1HD ARG 5 -4.800 -0.046 -6.018
48 HD3 ARG 5 2HD ARG 5 -3.347 -0.568 -6.866
49 HE ARG 5 HE ARG 5 -4.385 -2.914 -6.169
50 HH11 ARG 5 1HH1 ARG 5 -5.925 -0.098 -7.569
51 HH12 ARG 5 2HH1 ARG 5 -7.130 -1.023 -8.410
52 HH21 ARG 5 1HH2 ARG 5 -5.972 -4.131 -7.259
53 HH22 ARG 5 2HH2 ARG 5 -7.159 -3.316 -8.229
54 H ARG 6 H ARG 6 -0.628 -3.464 -6.943
55 HA ARG 6 HA ARG 6 1.318 -5.004 -5.344
56 HB2 ARG 6 1HB ARG 6 0.710 -6.329 -7.249
57 HB3 ARG 6 2HB ARG 6 0.898 -4.961 -8.342
58 HG2 ARG 6 1HG ARG 6 3.297 -4.945 -7.977
59 HG3 ARG 6 2HG ARG 6 3.152 -6.222 -6.773
60 HD2 ARG 6 1HD ARG 6 2.440 -7.794 -8.468
61 HD3 ARG 6 2HD ARG 6 2.422 -6.519 -9.689
62 HE ARG 6 HE ARG 6 4.923 -6.352 -9.121
63 HH11 ARG 6 1HH1 ARG 6 3.124 -9.357 -8.995
64 HH12 ARG 6 2HH1 ARG 6 4.491 -10.339 -9.419
65 HH21 ARG 6 1HH2 ARG 6 6.743 -7.663 -9.682
66 HH22 ARG 6 2HH2 ARG 6 6.525 -9.380 -9.834
67 H TYR 7 H TYR 7 3.225 -4.166 -4.953
68 HA TYR 7 HA TYR 7 4.210 -1.893 -6.537
69 HB2 TYR 7 2HB TYR 7 3.267 -1.135 -4.323
70 HB3 TYR 7 1HB TYR 7 4.444 -2.162 -3.518
71 HD1 TYR 7 1HD TYR 7 6.932 -1.640 -3.864
72 HD2 TYR 7 2HD TYR 7 3.830 1.063 -4.980
73 HE1 TYR 7 1HE TYR 7 8.548 0.209 -3.869
74 HE2 TYR 7 2HE TYR 7 5.446 2.918 -4.993
75 HH TYR 7 HH TYR 7 7.649 3.454 -3.932
76 H ARG 8 H ARG 8 6.278 -2.236 -7.222
77 HA ARG 8 HA ARG 8 7.695 -4.514 -5.996
78 HB2 ARG 8 1HB ARG 8 8.832 -4.859 -8.147
79 HB3 ARG 8 2HB ARG 8 7.089 -5.008 -8.297
80 HG2 ARG 8 1HG ARG 8 6.936 -2.851 -9.359
81 HG3 ARG 8 2HG ARG 8 8.653 -2.546 -9.066
82 HD2 ARG 8 1HD ARG 8 9.285 -4.336 -10.548
83 HD3 ARG 8 2HD ARG 8 7.606 -4.842 -10.727
84 HE ARG 8 HE ARG 8 7.530 -2.319 -11.645
85 HH11 ARG 8 1HH1 ARG 8 9.727 -4.967 -12.344
86 HH12 ARG 8 2HH1 ARG 8 9.959 -4.501 -14.001
87 HH21 ARG 8 1HH2 ARG 8 7.838 -1.710 -13.829
88 HH22 ARG 8 2HH2 ARG 8 8.868 -2.667 -14.852
89 H GLY 9 H GLY 9 9.722 -4.241 -5.278
90 HA2 GLY 9 1HA GLY 9 11.828 -2.836 -5.711
91 HA3 GLY 9 2HA GLY 9 10.772 -1.481 -5.340
92 H SER 10 H SER 10 11.332 -0.722 -3.392
93 HA SER 10 HA SER 10 12.400 -2.488 -1.363
94 HB2 SER 10 1HB SER 10 11.881 0.495 -1.224
95 HB3 SER 10 2HB SER 10 12.899 -0.457 -0.141
96 HG SER 10 HG SER 10 14.461 -0.348 -1.543
97 H GLU 11 H GLU 11 11.356 -3.221 0.390
98 HA GLU 11 HA GLU 11 8.536 -3.123 0.514
99 HB2 GLU 11 1HB GLU 11 8.771 -4.335 2.657
100 HB3 GLU 11 2HB GLU 11 9.724 -5.051 1.364
101 HG2 GLU 11 1HG GLU 11 11.736 -3.978 2.251
102 HG3 GLU 11 2HG GLU 11 10.780 -3.272 3.556
103 H GLU 12 H GLU 12 11.044 -1.229 2.035
104 HA GLU 12 HA GLU 12 9.619 0.084 3.982
105 HB2 GLU 12 1HB GLU 12 11.716 1.271 2.152
106 HB3 GLU 12 2HB GLU 12 11.302 1.770 3.764
107 HG2 GLU 12 1HG GLU 12 13.137 0.605 4.324
108 HG3 GLU 12 2HG GLU 12 12.009 -0.745 4.308
109 H GLU 13 H GLU 13 10.054 0.833 0.545
110 HA GLU 13 HA GLU 13 8.407 3.126 0.473
111 HB2 GLU 13 1HB GLU 13 9.132 1.204 -1.752
112 HB3 GLU 13 2HB GLU 13 8.406 2.790 -1.979
113 HG2 GLU 13 1HG GLU 13 11.132 2.187 -0.857
114 HG3 GLU 13 2HG GLU 13 10.764 2.906 -2.423
115 H CYS 14 H CYS 14 7.805 -0.301 -0.137
116 HA CYS 14 HA CYS 14 5.174 -0.131 -1.031
117 HB2 CYS 14 2HB CYS 14 6.423 -2.323 0.653
118 HB3 CYS 14 1HB CYS 14 4.956 -2.477 -0.313
119 H ARG 15 H ARG 15 6.425 -0.304 2.285
120 HA ARG 15 HA ARG 15 3.894 -0.377 3.566
121 HB2 ARG 15 1HB ARG 15 6.611 0.475 4.597
122 HB3 ARG 15 2HB ARG 15 5.189 0.285 5.615
123 HG2 ARG 15 1HG ARG 15 6.483 -1.901 3.984
124 HG3 ARG 15 2HG ARG 15 6.665 -1.666 5.725
125 HD2 ARG 15 1HD ARG 15 4.046 -2.190 4.314
126 HD3 ARG 15 2HD ARG 15 5.011 -3.420 5.125
127 HE ARG 15 HE ARG 15 4.663 -2.070 7.199
128 HH11 ARG 15 1HH1 ARG 15 2.360 -1.886 4.559
129 HH12 ARG 15 2HH1 ARG 15 1.028 -1.474 5.593
130 HH21 ARG 15 1HH2 ARG 15 2.935 -1.532 8.544
131 HH22 ARG 15 2HH2 ARG 15 1.356 -1.262 7.866
132 H LYS 16 H LYS 16 6.177 2.264 2.910
133 HA LYS 16 HA LYS 16 4.815 4.398 4.031
134 HB2 LYS 16 1HB LYS 16 6.421 4.310 1.462
135 HB3 LYS 16 2HB LYS 16 5.940 5.789 2.280
136 HG2 LYS 16 1HG LYS 16 7.357 5.361 4.118
137 HG3 LYS 16 2HG LYS 16 7.604 3.681 3.635
138 HD2 LYS 16 1HD LYS 16 9.565 5.098 3.124
139 HD3 LYS 16 2HD LYS 16 8.855 4.391 1.673
140 HE2 LYS 16 1HE LYS 16 7.673 6.516 1.247
141 HE3 LYS 16 2HE LYS 16 8.456 7.216 2.664
142 HZ1 LYS 16 1HZ LYS 16 9.857 6.177 0.257
143 HZ2 LYS 16 2HZ LYS 16 10.595 6.879 1.603
144 HZ3 LYS 16 3HZ LYS 16 9.595 7.812 0.612
145 H TYR 17 H TYR 17 4.549 3.124 0.739
146 HA TYR 17 HA TYR 17 2.619 4.918 -0.203
147 HB2 TYR 17 2HB TYR 17 3.986 3.605 -1.721
148 HB3 TYR 17 1HB TYR 17 3.300 2.107 -1.104
149 HD1 TYR 17 1HD TYR 17 1.787 1.090 -2.509
150 HD2 TYR 17 2HD TYR 17 2.010 5.341 -2.512
151 HE1 TYR 17 1HE TYR 17 0.064 1.170 -4.258
152 HE2 TYR 17 2HE TYR 17 0.285 5.435 -4.260
153 HH TYR 17 HH TYR 17 -0.560 3.911 -6.079
154 H ALA 18 H ALA 18 2.233 1.601 1.065
155 HA ALA 18 HA ALA 18 -0.519 1.362 0.805
156 HB1 ALA 18 1HB ALA 18 -0.393 -0.311 2.588
157 HB2 ALA 18 2HB ALA 18 1.212 0.271 3.029
158 HB3 ALA 18 3HB ALA 18 0.952 -0.484 1.462
159 H GLU 19 H GLU 19 1.328 2.638 3.560
160 HA GLU 19 HA GLU 19 -0.899 3.108 5.226
161 HB2 GLU 19 1HB GLU 19 1.479 2.915 5.982
162 HB3 GLU 19 2HB GLU 19 1.785 4.506 5.301
163 HG2 GLU 19 1HG GLU 19 1.454 4.635 7.702
164 HG3 GLU 19 2HG GLU 19 0.176 5.492 6.845
165 H GLU 20 H GLU 20 0.975 5.338 3.146
166 HA GLU 20 HA GLU 20 -0.453 7.649 3.870
167 HB2 GLU 20 1HB GLU 20 0.547 8.728 1.948
168 HB3 GLU 20 2HB GLU 20 1.735 7.714 2.743
169 HG2 GLU 20 1HG GLU 20 1.488 6.023 1.026
170 HG3 GLU 20 2HG GLU 20 0.232 6.979 0.244
171 H LEU 21 H LEU 21 -0.828 5.497 1.085
172 HA LEU 21 HA LEU 21 -3.033 6.792 -0.078
173 HB2 LEU 21 1HB LEU 21 -1.661 5.051 -1.196
174 HB3 LEU 21 2HB LEU 21 -2.364 3.842 -0.138
175 HG LEU 21 HG LEU 21 -4.587 4.272 -1.118
176 HD11 LEU 21 1HD1 LEU 21 -4.791 5.652 -3.136
177 HD12 LEU 21 2HD1 LEU 21 -3.115 6.169 -2.946
178 HD13 LEU 21 3HD1 LEU 21 -4.316 6.604 -1.729
179 HD21 LEU 21 1HD2 LEU 21 -4.148 3.295 -3.334
180 HD22 LEU 21 2HD2 LEU 21 -3.225 2.499 -2.061
181 HD23 LEU 21 3HD2 LEU 21 -2.430 3.648 -3.138
182 H SER 22 H SER 22 -2.809 4.352 2.447
183 HA SER 22 HA SER 22 -5.502 3.665 2.689
184 HB2 SER 22 1HB SER 22 -3.639 2.465 3.809
185 HB3 SER 22 2HB SER 22 -3.414 3.840 4.889
186 HG SER 22 HG SER 22 -5.168 1.797 5.055
187 H ARG 23 H ARG 23 -3.659 6.086 4.588
188 HA ARG 23 HA ARG 23 -6.023 7.074 5.822
189 HB2 ARG 23 1HB ARG 23 -4.597 8.796 6.831
190 HB3 ARG 23 2HB ARG 23 -4.001 7.161 7.082
191 HG2 ARG 23 1HG ARG 23 -2.102 8.322 6.549
192 HG3 ARG 23 2HG ARG 23 -2.567 7.616 5.006
193 HD2 ARG 23 1HD ARG 23 -3.719 9.805 4.489
194 HD3 ARG 23 2HD ARG 23 -2.899 10.466 5.914
195 HE ARG 23 HE ARG 23 -0.987 9.187 4.537
196 HH11 ARG 23 1HH1 ARG 23 -3.214 11.753 3.707
197 HH12 ARG 23 2HH1 ARG 23 -2.145 12.487 2.558
198 HH21 ARG 23 1HH2 ARG 23 0.468 10.210 3.066
199 HH22 ARG 23 2HH2 ARG 23 -0.051 11.625 2.206
200 H ARG 24 H ARG 24 -4.460 7.731 2.897
201 HA ARG 24 HA ARG 24 -5.306 10.421 2.564
202 HB2 ARG 24 1HB ARG 24 -3.450 9.463 1.257
203 HB3 ARG 24 2HB ARG 24 -4.570 8.369 0.455
204 HG2 ARG 24 1HG ARG 24 -5.748 10.338 -0.488
205 HG3 ARG 24 2HG ARG 24 -4.525 11.380 0.246
206 HD2 ARG 24 1HD ARG 24 -2.784 10.236 -1.064
207 HD3 ARG 24 2HD ARG 24 -4.020 9.217 -1.803
208 HE ARG 24 HE ARG 24 -4.330 12.100 -2.117
209 HH11 ARG 24 1HH1 ARG 24 -3.250 9.076 -3.506
210 HH12 ARG 24 2HH1 ARG 24 -3.297 9.663 -5.138
211 HH21 ARG 24 1HH2 ARG 24 -4.414 12.871 -4.270
212 HH22 ARG 24 2HH2 ARG 24 -3.960 11.812 -5.571
213 H THR 25 H THR 25 -6.520 7.328 1.303
214 HA THR 25 HA THR 25 -8.794 8.525 0.038
215 HB THR 25 HB THR 25 -9.518 6.170 -0.356
216 HG1 THR 25 1HG THR 25 -7.059 5.314 0.758
217 HG21 THR 25 1HG2 THR 25 -7.997 7.282 -1.947
218 HG22 THR 25 2HG2 THR 25 -7.674 5.552 -1.842
219 HG23 THR 25 3HG2 THR 25 -6.613 6.697 -1.024
220 H GLY 26 H GLY 26 -8.239 6.721 3.025
221 HA2 GLY 26 1HA GLY 26 -9.567 6.972 4.984
222 HA3 GLY 26 2HA GLY 26 -10.905 7.520 3.980
223 H CYS 27 H CYS 27 -10.062 5.207 2.131
224 HA CYS 27 HA CYS 27 -11.813 3.206 3.283
225 HB2 CYS 27 2HB CYS 27 -10.388 3.455 0.626
226 HB3 CYS 27 1HB CYS 27 -11.289 2.014 1.077
227 H GLU 28 H GLU 28 -10.691 0.852 2.331
228 HA GLU 28 HA GLU 28 -8.162 0.688 3.832
229 HB2 GLU 28 1HB GLU 28 -10.012 -0.635 4.814
230 HB3 GLU 28 2HB GLU 28 -10.168 -1.521 3.303
231 HG2 GLU 28 1HG GLU 28 -8.915 -2.742 5.064
232 HG3 GLU 28 2HG GLU 28 -7.998 -2.503 3.574
233 H VAL 29 H VAL 29 -6.415 0.147 2.751
234 HA VAL 29 HA VAL 29 -6.546 -1.375 0.298
235 HB VAL 29 HB VAL 29 -6.901 0.857 -0.583
236 HG11 VAL 29 1HG1 VAL 29 -5.307 2.677 -0.268
237 HG12 VAL 29 2HG1 VAL 29 -4.357 1.673 0.829
238 HG13 VAL 29 3HG1 VAL 29 -5.994 2.163 1.273
239 HG21 VAL 29 1HG2 VAL 29 -5.495 -0.650 -1.899
240 HG22 VAL 29 2HG2 VAL 29 -4.056 -0.048 -1.077
241 HG23 VAL 29 3HG2 VAL 29 -4.994 1.026 -2.115
242 H GLU 30 H GLU 30 -4.924 -2.745 0.309
243 HA GLU 30 HA GLU 30 -2.445 -2.010 1.720
244 HB2 GLU 30 1HB GLU 30 -4.240 -3.919 2.605
245 HB3 GLU 30 2HB GLU 30 -3.106 -4.890 1.682
246 HG2 GLU 30 1HG GLU 30 -2.311 -2.992 3.887
247 HG3 GLU 30 2HG GLU 30 -2.606 -4.712 4.117
248 H VAL 31 H VAL 31 -0.537 -2.893 0.798
249 HA VAL 31 HA VAL 31 -0.892 -3.626 -2.025
250 HB VAL 31 HB VAL 31 1.104 -2.436 -2.575
251 HG11 VAL 31 1HG1 VAL 31 -0.510 -0.717 -0.685
252 HG12 VAL 31 2HG1 VAL 31 -0.916 -1.059 -2.365
253 HG13 VAL 31 3HG1 VAL 31 0.535 -0.138 -1.981
254 HG21 VAL 31 1HG2 VAL 31 2.477 -2.998 -0.652
255 HG22 VAL 31 2HG2 VAL 31 1.496 -1.966 0.385
256 HG23 VAL 31 3HG2 VAL 31 2.473 -1.253 -0.899
257 H GLU 32 H GLU 32 0.913 -4.858 -2.903
258 HA GLU 32 HA GLU 32 2.155 -6.627 -0.906
259 HB2 GLU 32 1HB GLU 32 0.552 -7.732 -2.495
260 HB3 GLU 32 2HB GLU 32 1.593 -7.239 -3.826
261 HG2 GLU 32 1HG GLU 32 1.918 -9.589 -3.125
262 HG3 GLU 32 2HG GLU 32 3.383 -8.613 -3.023
263 H CYS 33 H CYS 33 4.380 -7.041 -1.132
264 HA CYS 33 HA CYS 33 5.749 -5.008 -2.779
265 HB2 CYS 33 2HB CYS 33 5.769 -4.839 -0.188
266 HB3 CYS 33 1HB CYS 33 6.901 -6.186 -0.257
267 H GLU 34 H GLU 34 6.772 -5.878 -4.416
268 HA GLU 34 HA GLU 34 7.930 -8.572 -4.215
269 HB2 GLU 34 1HB GLU 34 6.091 -7.716 -6.467
270 HB3 GLU 34 2HB GLU 34 6.795 -9.311 -6.217
271 HG2 GLU 34 1HG GLU 34 5.463 -9.638 -4.237
272 HG3 GLU 34 2HG GLU 34 4.848 -7.990 -4.342
273 H THR 35 H THR 35 8.983 -9.049 -6.496
274 HA THR 35 HA THR 35 10.165 -6.572 -7.551
275 HB THR 35 HB THR 35 11.917 -7.741 -6.407
276 HG1 THR 35 1HG THR 35 12.889 -6.996 -8.148
277 HG21 THR 35 1HG2 THR 35 12.595 -10.034 -6.920
278 HG22 THR 35 2HG2 THR 35 11.236 -10.200 -8.032
279 HG23 THR 35 3HG2 THR 35 10.943 -9.987 -6.305
Start of MODEL 18
1 H1 CYS 1 1H CYS 1 -14.873 -1.077 2.686
2 H2 CYS 1 2H CYS 1 -15.672 0.372 2.339
3 H3 CYS 1 3H CYS 1 -14.321 0.370 3.355
4 HA CYS 1 HA CYS 1 -14.327 -0.307 0.481
5 HB2 CYS 1 2HB CYS 1 -14.645 2.059 0.826
6 HB3 CYS 1 1HB CYS 1 -13.338 2.110 1.996
7 H LYS 2 H LYS 2 -13.012 -1.991 0.344
8 HA LYS 2 HA LYS 2 -10.312 -1.760 1.506
9 HB2 LYS 2 1HB LYS 2 -12.008 -4.256 1.245
10 HB3 LYS 2 2HB LYS 2 -10.276 -4.299 1.546
11 HG2 LYS 2 1HG LYS 2 -10.682 -2.955 3.617
12 HG3 LYS 2 2HG LYS 2 -12.413 -3.157 3.334
13 HD2 LYS 2 1HD LYS 2 -12.160 -5.590 3.456
14 HD3 LYS 2 2HD LYS 2 -10.423 -5.405 3.702
15 HE2 LYS 2 1HE LYS 2 -10.873 -4.178 5.795
16 HE3 LYS 2 2HE LYS 2 -12.603 -4.427 5.553
17 HZ1 LYS 2 1HZ LYS 2 -10.563 -6.554 5.952
18 HZ2 LYS 2 2HZ LYS 2 -12.202 -6.834 5.642
19 HZ3 LYS 2 3HZ LYS 2 -11.730 -6.064 7.073
20 H GLN 3 H GLN 3 -8.747 -1.764 0.042
21 HA GLN 3 HA GLN 3 -9.416 -2.579 -2.724
22 HB2 GLN 3 1HB GLN 3 -7.521 -0.412 -1.771
23 HB3 GLN 3 2HB GLN 3 -7.778 -0.863 -3.450
24 HG2 GLN 3 1HG GLN 3 -9.908 0.235 -1.619
25 HG3 GLN 3 2HG GLN 3 -8.980 1.190 -2.776
26 HE21 GLN 3 1HE2 GLN 3 -12.316 0.025 -4.133
27 HE22 GLN 3 2HE2 GLN 3 -11.868 0.697 -2.608
28 H ARG 4 H ARG 4 -7.514 -3.274 -4.019
29 HA ARG 4 HA ARG 4 -5.263 -4.295 -2.439
30 HB2 ARG 4 1HB ARG 4 -5.387 -6.487 -3.319
31 HB3 ARG 4 2HB ARG 4 -7.034 -6.108 -2.840
32 HG2 ARG 4 1HG ARG 4 -7.425 -5.455 -5.274
33 HG3 ARG 4 2HG ARG 4 -5.877 -6.229 -5.613
34 HD2 ARG 4 1HD ARG 4 -7.472 -7.898 -6.022
35 HD3 ARG 4 2HD ARG 4 -6.841 -8.282 -4.418
36 HE ARG 4 HE ARG 4 -8.884 -7.076 -3.558
37 HH11 ARG 4 1HH1 ARG 4 -8.838 -8.772 -6.622
38 HH12 ARG 4 2HH1 ARG 4 -10.564 -8.915 -6.718
39 HH21 ARG 4 1HH2 ARG 4 -11.156 -7.266 -3.670
40 HH22 ARG 4 2HH2 ARG 4 -11.892 -8.043 -5.038
41 H ARG 5 H ARG 5 -3.319 -4.058 -3.466
42 HA ARG 5 HA ARG 5 -3.243 -3.413 -6.306
43 HB2 ARG 5 1HB ARG 5 -2.584 -1.428 -4.141
44 HB3 ARG 5 2HB ARG 5 -1.864 -1.313 -5.745
45 HG2 ARG 5 1HG ARG 5 -3.975 -1.005 -6.779
46 HG3 ARG 5 2HG ARG 5 -4.840 -1.445 -5.306
47 HD2 ARG 5 1HD ARG 5 -4.931 0.938 -5.638
48 HD3 ARG 5 2HD ARG 5 -3.962 0.560 -4.218
49 HE ARG 5 HE ARG 5 -2.044 1.291 -5.335
50 HH11 ARG 5 1HH1 ARG 5 -4.824 1.394 -7.477
51 HH12 ARG 5 2HH1 ARG 5 -4.093 2.539 -8.560
52 HH21 ARG 5 1HH2 ARG 5 -1.110 2.813 -6.745
53 HH22 ARG 5 2HH2 ARG 5 -1.987 3.342 -8.151
54 H ARG 6 H ARG 6 -0.796 -2.740 -6.822
55 HA ARG 6 HA ARG 6 0.955 -4.579 -5.346
56 HB2 ARG 6 1HB ARG 6 1.849 -5.528 -7.377
57 HB3 ARG 6 2HB ARG 6 0.106 -5.741 -7.371
58 HG2 ARG 6 1HG ARG 6 1.513 -3.539 -8.880
59 HG3 ARG 6 2HG ARG 6 1.111 -5.108 -9.578
60 HD2 ARG 6 1HD ARG 6 -0.821 -3.044 -8.510
61 HD3 ARG 6 2HD ARG 6 -0.575 -3.492 -10.198
62 HE ARG 6 HE ARG 6 -2.194 -4.842 -8.266
63 HH11 ARG 6 1HH1 ARG 6 -0.310 -5.303 -11.188
64 HH12 ARG 6 2HH1 ARG 6 -1.152 -6.747 -11.650
65 HH21 ARG 6 1HH2 ARG 6 -3.300 -6.731 -8.888
66 HH22 ARG 6 2HH2 ARG 6 -2.834 -7.570 -10.333
67 H TYR 7 H TYR 7 3.179 -4.150 -5.512
68 HA TYR 7 HA TYR 7 4.099 -1.729 -6.817
69 HB2 TYR 7 2HB TYR 7 3.081 -1.116 -4.508
70 HB3 TYR 7 1HB TYR 7 4.453 -1.966 -3.816
71 HD1 TYR 7 1HD TYR 7 6.460 -0.792 -3.422
72 HD2 TYR 7 2HD TYR 7 3.611 0.821 -6.149
73 HE1 TYR 7 1HE TYR 7 7.779 1.279 -3.565
74 HE2 TYR 7 2HE TYR 7 4.929 2.892 -6.305
75 HH TYR 7 HH TYR 7 6.582 4.137 -4.886
76 H ARG 8 H ARG 8 6.559 -1.501 -6.282
77 HA ARG 8 HA ARG 8 7.766 -4.068 -5.574
78 HB2 ARG 8 1HB ARG 8 9.212 -4.099 -7.518
79 HB3 ARG 8 2HB ARG 8 7.535 -4.089 -8.033
80 HG2 ARG 8 1HG ARG 8 7.724 -1.672 -8.507
81 HG3 ARG 8 2HG ARG 8 9.430 -1.741 -8.057
82 HD2 ARG 8 1HD ARG 8 9.722 -3.499 -9.846
83 HD3 ARG 8 2HD ARG 8 8.071 -3.145 -10.359
84 HE ARG 8 HE ARG 8 9.719 -0.802 -10.221
85 HH11 ARG 8 1HH1 ARG 8 8.830 -3.515 -12.259
86 HH12 ARG 8 2HH1 ARG 8 9.302 -2.723 -13.728
87 HH21 ARG 8 1HH2 ARG 8 10.354 0.229 -12.133
88 HH22 ARG 8 2HH2 ARG 8 10.165 -0.580 -13.660
89 H GLY 9 H GLY 9 9.646 -3.895 -4.462
90 HA2 GLY 9 1HA GLY 9 11.674 -2.214 -4.418
91 HA3 GLY 9 2HA GLY 9 10.440 -1.164 -3.734
92 H SER 10 H SER 10 11.535 -0.993 -1.755
93 HA SER 10 HA SER 10 12.010 -3.463 -0.241
94 HB2 SER 10 1HB SER 10 13.910 -1.875 -0.565
95 HB3 SER 10 2HB SER 10 12.997 -0.650 0.317
96 HG SER 10 HG SER 10 14.417 -2.803 1.251
97 H GLU 11 H GLU 11 11.908 -2.868 2.260
98 HA GLU 11 HA GLU 11 9.220 -2.996 2.937
99 HB2 GLU 11 1HB GLU 11 9.992 -2.690 5.294
100 HB3 GLU 11 2HB GLU 11 10.885 -3.915 4.407
101 HG2 GLU 11 1HG GLU 11 12.727 -2.354 4.071
102 HG3 GLU 11 2HG GLU 11 11.830 -1.096 4.917
103 H GLU 12 H GLU 12 11.425 -0.219 3.082
104 HA GLU 12 HA GLU 12 9.748 1.576 4.408
105 HB2 GLU 12 1HB GLU 12 12.124 2.071 3.935
106 HB3 GLU 12 2HB GLU 12 11.757 2.194 2.218
107 HG2 GLU 12 1HG GLU 12 10.040 4.008 3.009
108 HG3 GLU 12 2HG GLU 12 11.059 4.061 4.444
109 H GLU 13 H GLU 13 10.124 0.905 0.967
110 HA GLU 13 HA GLU 13 8.346 2.906 0.059
111 HB2 GLU 13 1HB GLU 13 9.244 0.370 -1.339
112 HB3 GLU 13 2HB GLU 13 8.527 1.783 -2.113
113 HG2 GLU 13 1HG GLU 13 10.440 3.140 -1.464
114 HG3 GLU 13 2HG GLU 13 11.142 1.772 -0.607
115 H CYS 14 H CYS 14 7.965 -0.556 0.702
116 HA CYS 14 HA CYS 14 5.315 -0.851 -0.151
117 HB2 CYS 14 2HB CYS 14 6.862 -2.283 2.015
118 HB3 CYS 14 1HB CYS 14 5.265 -2.783 1.474
119 H ARG 15 H ARG 15 6.562 -0.138 3.115
120 HA ARG 15 HA ARG 15 4.076 0.094 4.393
121 HB2 ARG 15 1HB ARG 15 6.786 1.285 4.999
122 HB3 ARG 15 2HB ARG 15 5.403 1.513 6.060
123 HG2 ARG 15 1HG ARG 15 6.461 -1.199 5.275
124 HG3 ARG 15 2HG ARG 15 6.981 -0.322 6.717
125 HD2 ARG 15 1HD ARG 15 4.150 -1.166 6.081
126 HD3 ARG 15 2HD ARG 15 5.222 -1.947 7.243
127 HE ARG 15 HE ARG 15 3.944 0.684 7.529
128 HH11 ARG 15 1HH1 ARG 15 5.931 -1.859 8.897
129 HH12 ARG 15 2HH1 ARG 15 5.799 -1.257 10.516
130 HH21 ARG 15 1HH2 ARG 15 3.800 1.491 9.636
131 HH22 ARG 15 2HH2 ARG 15 4.620 0.674 10.936
132 H LYS 16 H LYS 16 6.249 2.687 3.308
133 HA LYS 16 HA LYS 16 4.756 4.889 3.758
134 HB2 LYS 16 1HB LYS 16 7.142 4.528 2.826
135 HB3 LYS 16 2HB LYS 16 6.375 4.507 1.245
136 HG2 LYS 16 1HG LYS 16 5.614 6.738 1.516
137 HG3 LYS 16 2HG LYS 16 6.111 6.747 3.206
138 HD2 LYS 16 1HD LYS 16 7.687 7.958 1.681
139 HD3 LYS 16 2HD LYS 16 8.431 6.652 2.607
140 HE2 LYS 16 1HE LYS 16 8.221 5.172 0.634
141 HE3 LYS 16 2HE LYS 16 7.546 6.519 -0.282
142 HZ1 LYS 16 1HZ LYS 16 9.622 7.726 0.051
143 HZ2 LYS 16 2HZ LYS 16 9.890 6.253 -0.734
144 HZ3 LYS 16 3HZ LYS 16 10.268 6.410 0.903
145 H TYR 17 H TYR 17 4.776 2.971 0.760
146 HA TYR 17 HA TYR 17 2.894 4.433 -0.677
147 HB2 TYR 17 2HB TYR 17 4.381 2.737 -1.661
148 HB3 TYR 17 1HB TYR 17 3.518 1.467 -0.807
149 HD1 TYR 17 1HD TYR 17 1.521 0.530 -1.711
150 HD2 TYR 17 2HD TYR 17 3.221 4.009 -3.494
151 HE1 TYR 17 1HE TYR 17 0.037 0.256 -3.652
152 HE2 TYR 17 2HE TYR 17 1.736 3.743 -5.436
153 HH TYR 17 HH TYR 17 0.515 1.796 -6.556
154 H ALA 18 H ALA 18 2.411 1.490 1.279
155 HA ALA 18 HA ALA 18 -0.355 1.256 0.823
156 HB1 ALA 18 1HB ALA 18 -0.342 -0.324 2.680
157 HB2 ALA 18 2HB ALA 18 1.255 0.244 3.168
158 HB3 ALA 18 3HB ALA 18 1.046 -0.582 1.624
159 H GLU 19 H GLU 19 1.420 2.720 3.536
160 HA GLU 19 HA GLU 19 -0.854 3.295 5.097
161 HB2 GLU 19 1HB GLU 19 1.878 4.603 5.104
162 HB3 GLU 19 2HB GLU 19 0.652 4.835 6.345
163 HG2 GLU 19 1HG GLU 19 0.737 2.436 6.868
164 HG3 GLU 19 2HG GLU 19 1.983 2.218 5.642
165 H GLU 20 H GLU 20 1.061 5.364 2.899
166 HA GLU 20 HA GLU 20 -0.515 7.670 3.158
167 HB2 GLU 20 1HB GLU 20 1.158 6.688 0.837
168 HB3 GLU 20 2HB GLU 20 0.389 8.269 0.877
169 HG2 GLU 20 1HG GLU 20 1.679 8.796 2.930
170 HG3 GLU 20 2HG GLU 20 2.511 7.250 2.762
171 H LEU 21 H LEU 21 -0.796 4.890 1.019
172 HA LEU 21 HA LEU 21 -2.818 5.804 -0.674
173 HB2 LEU 21 1HB LEU 21 -1.345 3.645 -0.705
174 HB3 LEU 21 2HB LEU 21 -2.632 2.942 0.249
175 HG LEU 21 HG LEU 21 -2.983 4.098 -2.529
176 HD11 LEU 21 1HD1 LEU 21 -3.125 1.770 -3.270
177 HD12 LEU 21 2HD1 LEU 21 -2.743 1.219 -1.640
178 HD13 LEU 21 3HD1 LEU 21 -1.548 2.129 -2.565
179 HD21 LEU 21 1HD2 LEU 21 -4.868 2.448 -0.831
180 HD22 LEU 21 2HD2 LEU 21 -5.149 2.949 -2.498
181 HD23 LEU 21 3HD2 LEU 21 -5.051 4.160 -1.221
182 H SER 22 H SER 22 -3.076 3.937 2.348
183 HA SER 22 HA SER 22 -5.842 3.762 2.470
184 HB2 SER 22 1HB SER 22 -3.852 3.873 4.751
185 HB3 SER 22 2HB SER 22 -5.452 3.162 4.786
186 HG SER 22 HG SER 22 -3.122 2.217 3.578
187 H ARG 23 H ARG 23 -3.650 6.042 4.137
188 HA ARG 23 HA ARG 23 -5.727 7.455 5.442
189 HB2 ARG 23 1HB ARG 23 -3.991 9.061 6.087
190 HB3 ARG 23 2HB ARG 23 -3.441 7.406 6.313
191 HG2 ARG 23 1HG ARG 23 -2.307 7.629 4.047
192 HG3 ARG 23 2HG ARG 23 -2.636 9.356 4.170
193 HD2 ARG 23 1HD ARG 23 -1.113 7.769 6.237
194 HD3 ARG 23 2HD ARG 23 -0.351 8.667 4.925
195 HE ARG 23 HE ARG 23 -2.067 10.381 6.363
196 HH11 ARG 23 1HH1 ARG 23 0.975 8.676 6.736
197 HH12 ARG 23 2HH1 ARG 23 1.652 9.857 7.813
198 HH21 ARG 23 1HH2 ARG 23 -1.188 11.920 7.795
199 HH22 ARG 23 2HH2 ARG 23 0.421 11.707 8.408
200 H ARG 24 H ARG 24 -4.303 7.803 2.271
201 HA ARG 24 HA ARG 24 -5.335 10.473 1.847
202 HB2 ARG 24 1HB ARG 24 -3.386 9.924 0.587
203 HB3 ARG 24 2HB ARG 24 -4.094 8.421 0.007
204 HG2 ARG 24 1HG ARG 24 -5.775 9.759 -1.251
205 HG3 ARG 24 2HG ARG 24 -4.923 11.219 -0.756
206 HD2 ARG 24 1HD ARG 24 -2.985 10.603 -1.999
207 HD3 ARG 24 2HD ARG 24 -3.602 8.971 -2.269
208 HE ARG 24 HE ARG 24 -5.103 9.802 -3.861
209 HH11 ARG 24 1HH1 ARG 24 -3.041 12.337 -2.568
210 HH12 ARG 24 2HH1 ARG 24 -3.514 13.489 -3.776
211 HH21 ARG 24 1HH2 ARG 24 -5.731 11.326 -5.417
212 HH22 ARG 24 2HH2 ARG 24 -5.027 12.913 -5.402
213 H THR 25 H THR 25 -6.093 7.275 0.477
214 HA THR 25 HA THR 25 -8.305 8.174 -1.033
215 HB THR 25 HB THR 25 -7.759 5.339 -0.117
216 HG1 THR 25 1HG THR 25 -5.937 5.752 -1.169
217 HG21 THR 25 1HG2 THR 25 -9.186 6.420 -2.564
218 HG22 THR 25 2HG2 THR 25 -9.951 5.632 -1.182
219 HG23 THR 25 3HG2 THR 25 -8.866 4.717 -2.230
220 H GLY 26 H GLY 26 -7.969 7.346 2.293
221 HA2 GLY 26 1HA GLY 26 -9.510 7.349 4.013
222 HA3 GLY 26 2HA GLY 26 -10.730 7.887 2.863
223 H CYS 27 H CYS 27 -8.683 5.019 3.030
224 HA CYS 27 HA CYS 27 -10.970 3.252 3.319
225 HB2 CYS 27 2HB CYS 27 -9.244 3.315 0.831
226 HB3 CYS 27 1HB CYS 27 -10.223 1.926 1.282
227 H GLU 28 H GLU 28 -10.032 0.886 2.971
228 HA GLU 28 HA GLU 28 -7.381 0.699 4.245
229 HB2 GLU 28 1HB GLU 28 -9.216 -0.275 5.586
230 HB3 GLU 28 2HB GLU 28 -9.685 -1.283 4.224
231 HG2 GLU 28 1HG GLU 28 -8.418 -2.531 5.898
232 HG3 GLU 28 2HG GLU 28 -7.585 -2.478 4.344
233 H VAL 29 H VAL 29 -5.841 -0.632 3.220
234 HA VAL 29 HA VAL 29 -6.620 -1.832 0.662
235 HB VAL 29 HB VAL 29 -5.961 0.479 0.118
236 HG11 VAL 29 1HG1 VAL 29 -4.437 0.912 1.969
237 HG12 VAL 29 2HG1 VAL 29 -3.642 1.228 0.427
238 HG13 VAL 29 3HG1 VAL 29 -3.288 -0.253 1.317
239 HG21 VAL 29 1HG2 VAL 29 -4.288 -0.046 -1.604
240 HG22 VAL 29 2HG2 VAL 29 -5.541 -1.283 -1.520
241 HG23 VAL 29 3HG2 VAL 29 -3.955 -1.586 -0.811
242 H GLU 30 H GLU 30 -5.435 -3.548 0.068
243 HA GLU 30 HA GLU 30 -3.082 -4.248 1.691
244 HB2 GLU 30 1HB GLU 30 -5.405 -5.795 0.921
245 HB3 GLU 30 2HB GLU 30 -3.951 -6.543 0.273
246 HG2 GLU 30 1HG GLU 30 -2.966 -6.609 2.491
247 HG3 GLU 30 2HG GLU 30 -4.378 -5.799 3.160
248 H VAL 31 H VAL 31 -1.236 -4.147 0.670
249 HA VAL 31 HA VAL 31 -1.235 -4.157 -2.273
250 HB VAL 31 HB VAL 31 -0.740 -1.923 -1.292
251 HG11 VAL 31 1HG1 VAL 31 1.369 -1.535 -0.123
252 HG12 VAL 31 2HG1 VAL 31 1.701 -3.268 -0.131
253 HG13 VAL 31 3HG1 VAL 31 0.328 -2.637 0.781
254 HG21 VAL 31 1HG2 VAL 31 0.158 -2.517 -3.480
255 HG22 VAL 31 2HG2 VAL 31 1.599 -3.200 -2.718
256 HG23 VAL 31 3HG2 VAL 31 1.273 -1.467 -2.602
257 H GLU 32 H GLU 32 0.393 -5.271 -3.288
258 HA GLU 32 HA GLU 32 1.940 -7.108 -1.579
259 HB2 GLU 32 1HB GLU 32 0.986 -7.474 -4.434
260 HB3 GLU 32 2HB GLU 32 1.896 -8.652 -3.500
261 HG2 GLU 32 1HG GLU 32 -0.875 -7.659 -2.837
262 HG3 GLU 32 2HG GLU 32 -0.496 -9.189 -3.624
263 H CYS 33 H CYS 33 4.120 -7.420 -2.057
264 HA CYS 33 HA CYS 33 5.285 -5.252 -3.680
265 HB2 CYS 33 2HB CYS 33 6.356 -6.564 -1.170
266 HB3 CYS 33 1HB CYS 33 7.200 -5.330 -2.105
267 H GLU 34 H GLU 34 6.719 -5.706 -5.181
268 HA GLU 34 HA GLU 34 7.832 -8.431 -5.342
269 HB2 GLU 34 1HB GLU 34 7.072 -6.548 -7.595
270 HB3 GLU 34 2HB GLU 34 7.889 -8.094 -7.812
271 HG2 GLU 34 1HG GLU 34 5.988 -9.288 -6.987
272 HG3 GLU 34 2HG GLU 34 5.184 -7.794 -6.518
273 H THR 35 H THR 35 9.860 -8.350 -6.856
274 HA THR 35 HA THR 35 11.484 -5.978 -6.448
275 HB THR 35 HB THR 35 12.359 -8.663 -5.329
276 HG1 THR 35 1HG THR 35 11.158 -6.397 -4.156
277 HG21 THR 35 1HG2 THR 35 14.230 -7.305 -6.133
278 HG22 THR 35 2HG2 THR 35 14.230 -7.370 -4.369
279 HG23 THR 35 3HG2 THR 35 13.648 -5.927 -5.199
Start of MODEL 19
1 H1 CYS 1 1H CYS 1 -15.053 -0.881 0.923
2 H2 CYS 1 2H CYS 1 -14.639 -1.340 -0.648
3 H3 CYS 1 3H CYS 1 -15.643 -0.010 -0.399
4 HA CYS 1 HA CYS 1 -13.389 0.632 -0.990
5 HB2 CYS 1 2HB CYS 1 -15.022 1.699 0.983
6 HB3 CYS 1 1HB CYS 1 -13.454 1.594 1.781
7 H LYS 2 H LYS 2 -13.048 -2.087 -0.241
8 HA LYS 2 HA LYS 2 -10.500 -1.854 1.214
9 HB2 LYS 2 1HB LYS 2 -12.404 -3.282 2.278
10 HB3 LYS 2 2HB LYS 2 -12.048 -4.446 1.011
11 HG2 LYS 2 1HG LYS 2 -9.976 -3.408 2.942
12 HG3 LYS 2 2HG LYS 2 -10.937 -4.853 3.235
13 HD2 LYS 2 1HD LYS 2 -9.166 -4.477 0.812
14 HD3 LYS 2 2HD LYS 2 -8.647 -5.278 2.296
15 HE2 LYS 2 1HE LYS 2 -10.966 -6.133 0.560
16 HE3 LYS 2 2HE LYS 2 -9.369 -6.881 0.577
17 HZ1 LYS 2 1HZ LYS 2 -11.236 -6.750 2.883
18 HZ2 LYS 2 2HZ LYS 2 -9.709 -7.473 2.897
19 HZ3 LYS 2 3HZ LYS 2 -10.939 -8.115 1.931
20 H GLN 3 H GLN 3 -8.887 -1.947 -0.197
21 HA GLN 3 HA GLN 3 -9.224 -3.574 -2.641
22 HB2 GLN 3 1HB GLN 3 -9.668 -1.143 -3.051
23 HB3 GLN 3 2HB GLN 3 -8.027 -0.793 -2.530
24 HG2 GLN 3 1HG GLN 3 -7.191 -2.206 -4.392
25 HG3 GLN 3 2HG GLN 3 -8.856 -2.404 -4.938
26 HE21 GLN 3 1HE2 GLN 3 -6.809 1.022 -5.645
27 HE22 GLN 3 2HE2 GLN 3 -6.189 -0.218 -4.617
28 H ARG 4 H ARG 4 -7.160 -4.129 -3.693
29 HA ARG 4 HA ARG 4 -4.793 -3.843 -1.983
30 HB2 ARG 4 1HB ARG 4 -5.615 -6.056 -1.481
31 HB3 ARG 4 2HB ARG 4 -5.791 -6.431 -3.191
32 HG2 ARG 4 1HG ARG 4 -3.439 -6.524 -3.508
33 HG3 ARG 4 2HG ARG 4 -3.127 -5.815 -1.922
34 HD2 ARG 4 1HD ARG 4 -2.726 -8.261 -2.001
35 HD3 ARG 4 2HD ARG 4 -3.950 -7.794 -0.819
36 HE ARG 4 HE ARG 4 -4.735 -8.769 -3.486
37 HH11 ARG 4 1HH1 ARG 4 -4.772 -9.081 0.008
38 HH12 ARG 4 2HH1 ARG 4 -5.980 -10.328 0.006
39 HH21 ARG 4 1HH2 ARG 4 -6.322 -10.423 -3.482
40 HH22 ARG 4 2HH2 ARG 4 -6.870 -11.078 -1.971
41 H ARG 5 H ARG 5 -2.845 -3.713 -3.060
42 HA ARG 5 HA ARG 5 -2.868 -3.789 -5.997
43 HB2 ARG 5 1HB ARG 5 -1.991 -1.490 -4.268
44 HB3 ARG 5 2HB ARG 5 -1.402 -1.700 -5.916
45 HG2 ARG 5 1HG ARG 5 -3.705 -1.638 -6.745
46 HG3 ARG 5 2HG ARG 5 -4.286 -1.403 -5.095
47 HD2 ARG 5 1HD ARG 5 -4.167 0.693 -6.343
48 HD3 ARG 5 2HD ARG 5 -3.102 0.684 -4.943
49 HE ARG 5 HE ARG 5 -1.346 1.016 -6.347
50 HH11 ARG 5 1HH1 ARG 5 -3.966 -0.374 -8.215
51 HH12 ARG 5 2HH1 ARG 5 -3.115 -0.271 -9.723
52 HH21 ARG 5 1HH2 ARG 5 -0.239 1.191 -8.336
53 HH22 ARG 5 2HH2 ARG 5 -0.988 0.617 -9.792
54 H ARG 6 H ARG 6 -0.500 -3.530 -6.804
55 HA ARG 6 HA ARG 6 1.403 -4.717 -4.898
56 HB2 ARG 6 1HB ARG 6 1.020 -5.509 -7.799
57 HB3 ARG 6 2HB ARG 6 2.407 -5.982 -6.824
58 HG2 ARG 6 1HG ARG 6 0.779 -7.050 -5.224
59 HG3 ARG 6 2HG ARG 6 -0.472 -6.766 -6.435
60 HD2 ARG 6 1HD ARG 6 0.740 -8.131 -8.046
61 HD3 ARG 6 2HD ARG 6 2.059 -8.353 -6.894
62 HE ARG 6 HE ARG 6 -0.632 -9.520 -6.707
63 HH11 ARG 6 1HH1 ARG 6 2.691 -9.359 -5.570
64 HH12 ARG 6 2HH1 ARG 6 2.530 -10.750 -4.546
65 HH21 ARG 6 1HH2 ARG 6 -0.817 -11.372 -5.407
66 HH22 ARG 6 2HH2 ARG 6 0.540 -11.905 -4.463
67 H TYR 7 H TYR 7 3.191 -3.596 -4.692
68 HA TYR 7 HA TYR 7 3.873 -1.574 -6.735
69 HB2 TYR 7 2HB TYR 7 3.146 -0.706 -4.475
70 HB3 TYR 7 1HB TYR 7 4.531 -1.533 -3.771
71 HD1 TYR 7 1HD TYR 7 6.640 -0.463 -3.691
72 HD2 TYR 7 2HD TYR 7 3.595 1.092 -6.238
73 HE1 TYR 7 1HE TYR 7 8.031 1.520 -4.136
74 HE2 TYR 7 2HE TYR 7 4.981 3.076 -6.685
75 HH TYR 7 HH TYR 7 8.293 3.263 -5.772
76 H ARG 8 H ARG 8 6.240 -1.196 -6.969
77 HA ARG 8 HA ARG 8 7.723 -3.701 -6.471
78 HB2 ARG 8 1HB ARG 8 9.021 -3.253 -8.490
79 HB3 ARG 8 2HB ARG 8 7.306 -3.313 -8.864
80 HG2 ARG 8 1HG ARG 8 7.202 -0.915 -9.052
81 HG3 ARG 8 2HG ARG 8 8.864 -0.759 -8.478
82 HD2 ARG 8 1HD ARG 8 9.632 -2.024 -10.468
83 HD3 ARG 8 2HD ARG 8 7.968 -2.068 -11.050
84 HE ARG 8 HE ARG 8 8.096 0.194 -11.581
85 HH11 ARG 8 1HH1 ARG 8 11.041 -0.850 -9.982
86 HH12 ARG 8 2HH1 ARG 8 11.942 0.549 -10.474
87 HH21 ARG 8 1HH2 ARG 8 9.296 2.019 -12.230
88 HH22 ARG 8 2HH2 ARG 8 10.959 2.174 -11.750
89 H GLY 9 H GLY 9 9.434 -3.586 -5.199
90 HA2 GLY 9 1HA GLY 9 11.512 -1.918 -5.045
91 HA3 GLY 9 2HA GLY 9 10.282 -0.981 -4.205
92 H SER 10 H SER 10 11.044 -1.053 -2.162
93 HA SER 10 HA SER 10 11.619 -3.693 -0.989
94 HB2 SER 10 1HB SER 10 13.441 -1.921 -0.983
95 HB3 SER 10 2HB SER 10 12.426 -0.996 0.123
96 HG SER 10 HG SER 10 13.582 -3.548 0.533
97 H GLU 11 H GLU 11 11.132 -3.693 1.471
98 HA GLU 11 HA GLU 11 8.311 -3.557 1.676
99 HB2 GLU 11 1HB GLU 11 8.542 -4.407 3.917
100 HB3 GLU 11 2HB GLU 11 9.691 -5.234 2.880
101 HG2 GLU 11 1HG GLU 11 10.337 -2.987 4.783
102 HG3 GLU 11 2HG GLU 11 10.634 -4.701 5.067
103 H GLU 12 H GLU 12 10.876 -1.471 2.916
104 HA GLU 12 HA GLU 12 9.403 0.267 4.506
105 HB2 GLU 12 1HB GLU 12 11.806 0.421 4.390
106 HB3 GLU 12 2HB GLU 12 11.757 0.753 2.666
107 HG2 GLU 12 1HG GLU 12 12.283 2.745 3.971
108 HG3 GLU 12 2HG GLU 12 10.779 2.928 3.072
109 H GLU 13 H GLU 13 10.049 0.462 1.026
110 HA GLU 13 HA GLU 13 8.517 2.759 0.509
111 HB2 GLU 13 1HB GLU 13 9.203 0.485 -1.371
112 HB3 GLU 13 2HB GLU 13 8.675 2.097 -1.846
113 HG2 GLU 13 1HG GLU 13 10.691 3.065 -0.873
114 HG3 GLU 13 2HG GLU 13 11.214 1.469 -0.342
115 H CYS 14 H CYS 14 7.721 -0.691 0.467
116 HA CYS 14 HA CYS 14 5.107 -0.524 -0.536
117 HB2 CYS 14 2HB CYS 14 6.241 -2.468 1.493
118 HB3 CYS 14 1HB CYS 14 4.714 -2.675 0.646
119 H ARG 15 H ARG 15 6.339 -0.304 2.788
120 HA ARG 15 HA ARG 15 3.804 -0.219 4.036
121 HB2 ARG 15 1HB ARG 15 6.531 0.679 4.988
122 HB3 ARG 15 2HB ARG 15 5.094 0.722 6.002
123 HG2 ARG 15 1HG ARG 15 4.838 -1.732 5.639
124 HG3 ARG 15 2HG ARG 15 6.380 -1.719 4.783
125 HD2 ARG 15 1HD ARG 15 7.521 -0.957 6.781
126 HD3 ARG 15 2HD ARG 15 5.986 -0.825 7.643
127 HE ARG 15 HE ARG 15 6.587 -3.454 6.587
128 HH11 ARG 15 1HH1 ARG 15 6.876 -1.312 9.350
129 HH12 ARG 15 2HH1 ARG 15 7.014 -2.611 10.494
130 HH21 ARG 15 1HH2 ARG 15 6.787 -5.147 8.086
131 HH22 ARG 15 2HH2 ARG 15 6.969 -4.790 9.774
132 H LYS 16 H LYS 16 6.130 2.446 3.362
133 HA LYS 16 HA LYS 16 4.518 4.511 4.219
134 HB2 LYS 16 1HB LYS 16 7.015 4.415 3.360
135 HB3 LYS 16 2HB LYS 16 6.285 4.888 1.828
136 HG2 LYS 16 1HG LYS 16 5.307 6.842 2.880
137 HG3 LYS 16 2HG LYS 16 5.963 6.340 4.434
138 HD2 LYS 16 1HD LYS 16 7.352 8.089 3.488
139 HD3 LYS 16 2HD LYS 16 8.245 6.568 3.526
140 HE2 LYS 16 1HE LYS 16 8.648 7.676 1.421
141 HE3 LYS 16 2HE LYS 16 7.692 6.226 1.132
142 HZ1 LYS 16 1HZ LYS 16 6.632 8.997 1.278
143 HZ2 LYS 16 2HZ LYS 16 5.712 7.609 0.998
144 HZ3 LYS 16 3HZ LYS 16 6.866 8.103 -0.136
145 H TYR 17 H TYR 17 4.768 3.047 0.999
146 HA TYR 17 HA TYR 17 2.995 4.701 -0.383
147 HB2 TYR 17 2HB TYR 17 4.434 3.126 -1.541
148 HB3 TYR 17 1HB TYR 17 3.646 1.761 -0.760
149 HD1 TYR 17 1HD TYR 17 1.847 0.688 -1.817
150 HD2 TYR 17 2HD TYR 17 3.002 4.575 -3.132
151 HE1 TYR 17 1HE TYR 17 0.325 0.486 -3.738
152 HE2 TYR 17 2HE TYR 17 1.474 4.383 -5.050
153 HH TYR 17 HH TYR 17 0.383 2.665 -6.374
154 H ALA 18 H ALA 18 2.351 1.675 1.380
155 HA ALA 18 HA ALA 18 -0.416 1.580 0.774
156 HB1 ALA 18 1HB ALA 18 -0.560 -0.146 2.477
157 HB2 ALA 18 2HB ALA 18 1.027 0.306 3.105
158 HB3 ALA 18 3HB ALA 18 0.880 -0.389 1.491
159 H GLU 19 H GLU 19 1.405 2.910 3.483
160 HA GLU 19 HA GLU 19 -0.782 3.457 5.182
161 HB2 GLU 19 1HB GLU 19 1.776 3.384 5.660
162 HB3 GLU 19 2HB GLU 19 1.775 5.057 5.134
163 HG2 GLU 19 1HG GLU 19 0.040 4.035 7.369
164 HG3 GLU 19 2HG GLU 19 1.668 4.658 7.615
165 H GLU 20 H GLU 20 1.077 5.542 2.980
166 HA GLU 20 HA GLU 20 -0.524 7.839 3.263
167 HB2 GLU 20 1HB GLU 20 1.207 6.976 0.931
168 HB3 GLU 20 2HB GLU 20 0.552 8.591 1.153
169 HG2 GLU 20 1HG GLU 20 1.814 8.794 3.255
170 HG3 GLU 20 2HG GLU 20 2.502 7.197 2.980
171 H LEU 21 H LEU 21 -0.655 5.127 1.026
172 HA LEU 21 HA LEU 21 -2.670 6.059 -0.689
173 HB2 LEU 21 1HB LEU 21 -1.159 4.111 -1.072
174 HB3 LEU 21 2HB LEU 21 -2.056 3.214 0.134
175 HG LEU 21 HG LEU 21 -4.049 3.245 -1.281
176 HD11 LEU 21 1HD1 LEU 21 -3.716 5.405 -2.372
177 HD12 LEU 21 2HD1 LEU 21 -3.952 4.128 -3.566
178 HD13 LEU 21 3HD1 LEU 21 -2.334 4.757 -3.258
179 HD21 LEU 21 1HD2 LEU 21 -2.446 1.409 -1.544
180 HD22 LEU 21 2HD2 LEU 21 -1.571 2.336 -2.762
181 HD23 LEU 21 3HD2 LEU 21 -3.220 1.797 -3.082
182 H SER 22 H SER 22 -2.817 4.175 2.302
183 HA SER 22 HA SER 22 -5.593 3.709 2.318
184 HB2 SER 22 1HB SER 22 -4.050 2.410 3.713
185 HB3 SER 22 2HB SER 22 -3.652 3.851 4.647
186 HG SER 22 HG SER 22 -6.339 3.027 4.437
187 H ARG 23 H ARG 23 -3.637 6.196 4.009
188 HA ARG 23 HA ARG 23 -5.893 7.471 5.174
189 HB2 ARG 23 1HB ARG 23 -4.385 9.304 5.737
190 HB3 ARG 23 2HB ARG 23 -3.624 7.757 6.082
191 HG2 ARG 23 1HG ARG 23 -2.257 7.926 4.112
192 HG3 ARG 23 2HG ARG 23 -3.115 9.376 3.591
193 HD2 ARG 23 1HD ARG 23 -0.948 9.919 4.590
194 HD3 ARG 23 2HD ARG 23 -2.285 10.591 5.523
195 HE ARG 23 HE ARG 23 -1.183 8.018 6.387
196 HH11 ARG 23 1HH1 ARG 23 -1.452 11.473 6.897
197 HH12 ARG 23 2HH1 ARG 23 -0.841 11.405 8.522
198 HH21 ARG 23 1HH2 ARG 23 -0.396 7.925 8.508
199 HH22 ARG 23 2HH2 ARG 23 -0.232 9.388 9.439
200 H ARG 24 H ARG 24 -4.303 7.807 2.084
201 HA ARG 24 HA ARG 24 -5.404 10.316 1.350
202 HB2 ARG 24 1HB ARG 24 -3.449 9.286 0.222
203 HB3 ARG 24 2HB ARG 24 -4.500 8.038 -0.430
204 HG2 ARG 24 1HG ARG 24 -5.741 9.739 -1.691
205 HG3 ARG 24 2HG ARG 24 -4.675 10.989 -1.040
206 HD2 ARG 24 1HD ARG 24 -2.749 9.849 -2.077
207 HD3 ARG 24 2HD ARG 24 -3.846 8.654 -2.768
208 HE ARG 24 HE ARG 24 -4.367 11.435 -3.438
209 HH11 ARG 24 1HH1 ARG 24 -3.074 8.347 -4.423
210 HH12 ARG 24 2HH1 ARG 24 -2.868 8.812 -6.082
211 HH21 ARG 24 1HH2 ARG 24 -4.168 12.042 -5.626
212 HH22 ARG 24 2HH2 ARG 24 -3.517 10.917 -6.774
213 H THR 25 H THR 25 -6.350 6.968 0.617
214 HA THR 25 HA THR 25 -8.760 7.712 -0.740
215 HB THR 25 HB THR 25 -9.293 5.251 -0.551
216 HG1 THR 25 1HG THR 25 -6.689 4.778 0.365
217 HG21 THR 25 1HG2 THR 25 -6.540 5.941 -1.613
218 HG22 THR 25 2HG2 THR 25 -8.060 6.124 -2.490
219 HG23 THR 25 3HG2 THR 25 -7.481 4.514 -2.053
220 H GLY 26 H GLY 26 -7.866 7.015 2.555
221 HA2 GLY 26 1HA GLY 26 -9.052 7.311 4.521
222 HA3 GLY 26 2HA GLY 26 -10.418 7.881 3.574
223 H CYS 27 H CYS 27 -9.038 4.884 2.686
224 HA CYS 27 HA CYS 27 -11.216 3.403 4.010
225 HB2 CYS 27 2HB CYS 27 -10.295 3.137 1.133
226 HB3 CYS 27 1HB CYS 27 -11.460 2.076 1.922
227 H GLU 28 H GLU 28 -10.415 0.863 2.822
228 HA GLU 28 HA GLU 28 -7.886 0.503 4.314
229 HB2 GLU 28 1HB GLU 28 -9.804 -0.566 5.407
230 HB3 GLU 28 2HB GLU 28 -10.164 -1.459 3.935
231 HG2 GLU 28 1HG GLU 28 -8.156 -2.739 4.127
232 HG3 GLU 28 2HG GLU 28 -7.564 -1.718 5.438
233 H VAL 29 H VAL 29 -6.236 0.146 3.025
234 HA VAL 29 HA VAL 29 -6.639 -1.452 0.587
235 HB VAL 29 HB VAL 29 -4.794 0.943 0.814
236 HG11 VAL 29 1HG1 VAL 29 -4.548 0.661 -1.629
237 HG12 VAL 29 2HG1 VAL 29 -5.510 -0.816 -1.538
238 HG13 VAL 29 3HG1 VAL 29 -3.947 -0.727 -0.724
239 HG21 VAL 29 1HG2 VAL 29 -7.129 1.669 0.796
240 HG22 VAL 29 2HG2 VAL 29 -7.428 0.706 -0.651
241 HG23 VAL 29 3HG2 VAL 29 -6.329 2.084 -0.719
242 H GLU 30 H GLU 30 -5.185 -2.994 0.220
243 HA GLU 30 HA GLU 30 -2.861 -3.227 2.016
244 HB2 GLU 30 1HB GLU 30 -4.478 -5.033 2.351
245 HB3 GLU 30 2HB GLU 30 -4.502 -5.374 0.627
246 HG2 GLU 30 1HG GLU 30 -2.191 -6.124 0.716
247 HG3 GLU 30 2HG GLU 30 -2.105 -5.712 2.430
248 H VAL 31 H VAL 31 -0.885 -4.002 1.039
249 HA VAL 31 HA VAL 31 -0.819 -3.929 -1.888
250 HB VAL 31 HB VAL 31 -0.278 -1.632 -0.857
251 HG11 VAL 31 1HG1 VAL 31 1.128 -2.405 0.982
252 HG12 VAL 31 2HG1 VAL 31 2.001 -1.288 -0.067
253 HG13 VAL 31 3HG1 VAL 31 2.313 -3.022 -0.173
254 HG21 VAL 31 1HG2 VAL 31 1.492 -1.182 -2.493
255 HG22 VAL 31 2HG2 VAL 31 0.206 -2.172 -3.179
256 HG23 VAL 31 3HG2 VAL 31 1.736 -2.919 -2.709
257 H GLU 32 H GLU 32 0.864 -5.083 -2.811
258 HA GLU 32 HA GLU 32 2.446 -6.766 -0.969
259 HB2 GLU 32 1HB GLU 32 0.668 -7.535 -3.008
260 HB3 GLU 32 2HB GLU 32 2.259 -7.766 -3.714
261 HG2 GLU 32 1HG GLU 32 1.457 -8.910 -1.042
262 HG3 GLU 32 2HG GLU 32 1.243 -9.766 -2.567
263 H CYS 33 H CYS 33 4.600 -7.454 -1.977
264 HA CYS 33 HA CYS 33 5.773 -5.066 -3.258
265 HB2 CYS 33 2HB CYS 33 7.129 -7.023 -1.388
266 HB3 CYS 33 1HB CYS 33 7.826 -5.547 -2.046
267 H GLU 34 H GLU 34 6.676 -5.319 -5.150
268 HA GLU 34 HA GLU 34 7.391 -8.014 -6.107
269 HB2 GLU 34 1HB GLU 34 6.635 -5.581 -7.751
270 HB3 GLU 34 2HB GLU 34 6.926 -7.204 -8.358
271 HG2 GLU 34 1HG GLU 34 4.690 -6.463 -6.485
272 HG3 GLU 34 2HG GLU 34 4.535 -6.567 -8.236
273 H THR 35 H THR 35 9.205 -7.989 -7.707
274 HA THR 35 HA THR 35 11.401 -6.413 -6.706
275 HB THR 35 HB THR 35 12.689 -7.631 -8.556
276 HG1 THR 35 1HG THR 35 10.564 -8.093 -9.683
277 HG21 THR 35 1HG2 THR 35 12.716 -8.404 -6.228
278 HG22 THR 35 2HG2 THR 35 12.702 -9.769 -7.347
279 HG23 THR 35 3HG2 THR 35 11.223 -9.304 -6.507
Start of MODEL 20
1 H1 CYS 1 1H CYS 1 -15.235 -0.970 -1.247
2 H2 CYS 1 2H CYS 1 -14.314 -0.232 -2.458
3 H3 CYS 1 3H CYS 1 -15.673 0.552 -1.835
4 HA CYS 1 HA CYS 1 -13.625 1.491 -0.979
5 HB2 CYS 1 2HB CYS 1 -15.771 1.438 0.339
6 HB3 CYS 1 1HB CYS 1 -15.170 0.006 1.162
7 H LYS 2 H LYS 2 -13.264 -1.561 -1.707
8 HA LYS 2 HA LYS 2 -10.955 -1.946 0.092
9 HB2 LYS 2 1HB LYS 2 -12.424 -4.000 -1.592
10 HB3 LYS 2 2HB LYS 2 -10.991 -4.323 -0.628
11 HG2 LYS 2 1HG LYS 2 -12.323 -3.617 1.394
12 HG3 LYS 2 2HG LYS 2 -13.748 -3.609 0.350
13 HD2 LYS 2 1HD LYS 2 -11.947 -5.973 0.919
14 HD3 LYS 2 2HD LYS 2 -13.582 -5.731 1.536
15 HE2 LYS 2 1HE LYS 2 -14.489 -5.874 -0.709
16 HE3 LYS 2 2HE LYS 2 -12.866 -5.992 -1.387
17 HZ1 LYS 2 1HZ LYS 2 -14.108 -7.975 0.440
18 HZ2 LYS 2 2HZ LYS 2 -12.569 -8.087 -0.248
19 HZ3 LYS 2 3HZ LYS 2 -13.938 -8.152 -1.235
20 H GLN 3 H GLN 3 -8.994 -1.724 -0.787
21 HA GLN 3 HA GLN 3 -8.742 -1.917 -3.719
22 HB2 GLN 3 1HB GLN 3 -7.385 0.022 -1.846
23 HB3 GLN 3 2HB GLN 3 -6.866 -0.240 -3.502
24 HG2 GLN 3 1HG GLN 3 -9.040 0.507 -4.319
25 HG3 GLN 3 2HG GLN 3 -9.588 0.751 -2.662
26 HE21 GLN 3 1HE2 GLN 3 -8.269 3.897 -4.347
27 HE22 GLN 3 2HE2 GLN 3 -9.257 2.616 -4.952
28 H ARG 4 H ARG 4 -7.270 -3.245 -4.439
29 HA ARG 4 HA ARG 4 -5.387 -4.463 -2.528
30 HB2 ARG 4 1HB ARG 4 -7.290 -5.923 -3.449
31 HB3 ARG 4 2HB ARG 4 -6.486 -5.810 -5.008
32 HG2 ARG 4 1HG ARG 4 -4.523 -6.902 -4.124
33 HG3 ARG 4 2HG ARG 4 -5.214 -6.903 -2.502
34 HD2 ARG 4 1HD ARG 4 -6.303 -8.380 -4.903
35 HD3 ARG 4 2HD ARG 4 -5.425 -9.100 -3.555
36 HE ARG 4 HE ARG 4 -8.147 -7.960 -3.437
37 HH11 ARG 4 1HH1 ARG 4 -5.616 -9.911 -1.989
38 HH12 ARG 4 2HH1 ARG 4 -6.672 -10.618 -0.806
39 HH21 ARG 4 1HH2 ARG 4 -9.524 -8.918 -1.884
40 HH22 ARG 4 2HH2 ARG 4 -8.883 -10.078 -0.762
41 H ARG 5 H ARG 5 -3.319 -4.025 -2.980
42 HA ARG 5 HA ARG 5 -2.716 -2.825 -5.606
43 HB2 ARG 5 1HB ARG 5 -1.523 -2.218 -2.883
44 HB3 ARG 5 2HB ARG 5 -0.977 -1.505 -4.393
45 HG2 ARG 5 1HG ARG 5 -3.700 -1.156 -3.141
46 HG3 ARG 5 2HG ARG 5 -2.398 0.035 -3.175
47 HD2 ARG 5 1HD ARG 5 -2.507 -0.144 -5.712
48 HD3 ARG 5 2HD ARG 5 -4.015 -1.029 -5.482
49 HE ARG 5 HE ARG 5 -4.121 1.401 -4.061
50 HH11 ARG 5 1HH1 ARG 5 -4.271 0.103 -7.305
51 HH12 ARG 5 2HH1 ARG 5 -5.048 1.505 -7.973
52 HH21 ARG 5 1HH2 ARG 5 -5.185 3.254 -4.929
53 HH22 ARG 5 2HH2 ARG 5 -5.591 3.278 -6.614
54 H ARG 6 H ARG 6 -1.030 -3.545 -6.733
55 HA ARG 6 HA ARG 6 0.809 -5.478 -5.477
56 HB2 ARG 6 1HB ARG 6 -0.495 -6.440 -7.337
57 HB3 ARG 6 2HB ARG 6 0.051 -5.151 -8.399
58 HG2 ARG 6 1HG ARG 6 2.363 -5.942 -8.157
59 HG3 ARG 6 2HG ARG 6 1.797 -7.246 -7.113
60 HD2 ARG 6 1HD ARG 6 0.446 -8.138 -8.949
61 HD3 ARG 6 2HD ARG 6 0.988 -6.822 -9.996
62 HE ARG 6 HE ARG 6 3.240 -8.131 -8.984
63 HH11 ARG 6 1HH1 ARG 6 0.599 -8.770 -11.199
64 HH12 ARG 6 2HH1 ARG 6 1.492 -9.929 -12.122
65 HH21 ARG 6 1HH2 ARG 6 4.408 -9.635 -10.180
66 HH22 ARG 6 2HH2 ARG 6 3.664 -10.444 -11.529
67 H TYR 7 H TYR 7 2.538 -4.338 -4.841
68 HA TYR 7 HA TYR 7 3.492 -2.141 -6.568
69 HB2 TYR 7 2HB TYR 7 2.577 -1.449 -4.345
70 HB3 TYR 7 1HB TYR 7 3.802 -2.437 -3.562
71 HD1 TYR 7 1HD TYR 7 6.010 -1.607 -3.231
72 HD2 TYR 7 2HD TYR 7 3.290 0.543 -5.699
73 HE1 TYR 7 1HE TYR 7 7.557 0.298 -3.268
74 HE2 TYR 7 2HE TYR 7 4.835 2.458 -5.741
75 HH TYR 7 HH TYR 7 6.673 3.391 -4.455
76 H ARG 8 H ARG 8 5.718 -1.919 -6.877
77 HA ARG 8 HA ARG 8 7.348 -4.232 -6.056
78 HB2 ARG 8 1HB ARG 8 8.677 -3.866 -8.133
79 HB3 ARG 8 2HB ARG 8 7.015 -4.349 -8.435
80 HG2 ARG 8 1HG ARG 8 6.425 -2.040 -8.967
81 HG3 ARG 8 2HG ARG 8 8.081 -1.530 -8.627
82 HD2 ARG 8 1HD ARG 8 7.198 -3.437 -10.798
83 HD3 ARG 8 2HD ARG 8 7.753 -1.777 -11.019
84 HE ARG 8 HE ARG 8 9.802 -3.038 -9.707
85 HH11 ARG 8 1HH1 ARG 8 8.087 -3.592 -12.717
86 HH12 ARG 8 2HH1 ARG 8 9.458 -4.303 -13.508
87 HH21 ARG 8 1HH2 ARG 8 11.602 -3.957 -10.755
88 HH22 ARG 8 2HH2 ARG 8 11.460 -4.495 -12.399
89 H GLY 9 H GLY 9 8.709 -3.674 -4.540
90 HA2 GLY 9 1HA GLY 9 10.714 -1.778 -4.719
91 HA3 GLY 9 2HA GLY 9 9.371 -0.989 -3.895
92 H SER 10 H SER 10 11.426 -1.066 -2.357
93 HA SER 10 HA SER 10 11.682 -3.556 -0.909
94 HB2 SER 10 1HB SER 10 12.874 -0.845 -0.271
95 HB3 SER 10 2HB SER 10 13.378 -2.405 0.386
96 HG SER 10 HG SER 10 13.572 -1.511 -2.302
97 H GLU 11 H GLU 11 11.658 -3.372 1.562
98 HA GLU 11 HA GLU 11 9.092 -3.249 2.470
99 HB2 GLU 11 1HB GLU 11 10.017 -3.166 4.756
100 HB3 GLU 11 2HB GLU 11 10.878 -4.313 3.736
101 HG2 GLU 11 1HG GLU 11 12.694 -2.734 3.436
102 HG3 GLU 11 2HG GLU 11 11.819 -1.518 4.363
103 H GLU 12 H GLU 12 11.441 -0.592 2.506
104 HA GLU 12 HA GLU 12 9.897 1.169 4.086
105 HB2 GLU 12 1HB GLU 12 12.296 1.505 3.794
106 HB3 GLU 12 2HB GLU 12 12.078 1.771 2.069
107 HG2 GLU 12 1HG GLU 12 10.824 3.803 2.510
108 HG3 GLU 12 2HG GLU 12 10.933 3.519 4.245
109 H GLU 13 H GLU 13 10.383 1.035 0.543
110 HA GLU 13 HA GLU 13 8.613 3.049 -0.174
111 HB2 GLU 13 1HB GLU 13 9.258 0.488 -1.661
112 HB3 GLU 13 2HB GLU 13 8.345 1.821 -2.351
113 HG2 GLU 13 1HG GLU 13 10.491 2.130 -3.167
114 HG3 GLU 13 2HG GLU 13 10.388 3.264 -1.824
115 H CYS 14 H CYS 14 7.999 -0.371 0.420
116 HA CYS 14 HA CYS 14 5.290 -0.480 -0.198
117 HB2 CYS 14 2HB CYS 14 6.836 -1.969 1.937
118 HB3 CYS 14 1HB CYS 14 5.201 -2.383 1.429
119 H ARG 15 H ARG 15 6.798 0.163 2.978
120 HA ARG 15 HA ARG 15 4.398 0.574 4.375
121 HB2 ARG 15 1HB ARG 15 7.233 1.465 4.883
122 HB3 ARG 15 2HB ARG 15 5.930 1.912 5.972
123 HG2 ARG 15 1HG ARG 15 6.817 -0.895 5.303
124 HG3 ARG 15 2HG ARG 15 7.108 -0.028 6.814
125 HD2 ARG 15 1HD ARG 15 4.474 -0.993 5.706
126 HD3 ARG 15 2HD ARG 15 5.271 -1.492 7.199
127 HE ARG 15 HE ARG 15 4.857 1.219 7.461
128 HH11 ARG 15 1HH1 ARG 15 2.860 -1.631 7.059
129 HH12 ARG 15 2HH1 ARG 15 1.444 -0.888 7.739
130 HH21 ARG 15 1HH2 ARG 15 3.006 2.197 8.366
131 HH22 ARG 15 2HH2 ARG 15 1.536 1.286 8.502
132 H LYS 16 H LYS 16 6.539 2.881 2.724
133 HA LYS 16 HA LYS 16 5.365 5.227 3.542
134 HB2 LYS 16 1HB LYS 16 7.608 4.678 2.472
135 HB3 LYS 16 2HB LYS 16 6.753 4.593 0.941
136 HG2 LYS 16 1HG LYS 16 7.766 6.673 1.114
137 HG3 LYS 16 2HG LYS 16 6.032 6.889 1.290
138 HD2 LYS 16 1HD LYS 16 6.246 7.148 3.680
139 HD3 LYS 16 2HD LYS 16 7.965 6.758 3.604
140 HE2 LYS 16 1HE LYS 16 6.641 9.184 2.381
141 HE3 LYS 16 2HE LYS 16 7.596 9.167 3.864
142 HZ1 LYS 16 1HZ LYS 16 9.502 8.400 2.531
143 HZ2 LYS 16 2HZ LYS 16 8.946 9.922 2.052
144 HZ3 LYS 16 3HZ LYS 16 8.573 8.558 1.125
145 H TYR 17 H TYR 17 5.075 3.516 0.433
146 HA TYR 17 HA TYR 17 3.089 5.138 -0.694
147 HB2 TYR 17 2HB TYR 17 4.556 3.592 -1.963
148 HB3 TYR 17 1HB TYR 17 3.712 2.222 -1.259
149 HD1 TYR 17 1HD TYR 17 1.528 1.549 -2.090
150 HD2 TYR 17 2HD TYR 17 3.472 5.000 -3.663
151 HE1 TYR 17 1HE TYR 17 -0.057 1.582 -3.970
152 HE2 TYR 17 2HE TYR 17 1.888 5.041 -5.540
153 HH TYR 17 HH TYR 17 0.431 3.358 -6.757
154 H ALA 18 H ALA 18 2.842 2.058 1.059
155 HA ALA 18 HA ALA 18 0.080 1.669 0.685
156 HB1 ALA 18 1HB ALA 18 1.623 -0.116 1.370
157 HB2 ALA 18 2HB ALA 18 0.238 0.012 2.455
158 HB3 ALA 18 3HB ALA 18 1.807 0.654 2.945
159 H GLU 19 H GLU 19 1.886 3.179 3.358
160 HA GLU 19 HA GLU 19 -0.424 3.557 4.970
161 HB2 GLU 19 1HB GLU 19 1.863 3.444 5.905
162 HB3 GLU 19 2HB GLU 19 2.239 4.983 5.140
163 HG2 GLU 19 1HG GLU 19 0.796 6.176 6.554
164 HG3 GLU 19 2HG GLU 19 -0.040 4.714 7.077
165 H GLU 20 H GLU 20 1.448 5.767 2.867
166 HA GLU 20 HA GLU 20 -0.091 8.047 3.234
167 HB2 GLU 20 1HB GLU 20 1.736 7.044 1.146
168 HB3 GLU 20 2HB GLU 20 0.574 8.236 0.586
169 HG2 GLU 20 1HG GLU 20 2.669 9.276 1.245
170 HG3 GLU 20 2HG GLU 20 1.339 9.812 2.266
171 H LEU 21 H LEU 21 -0.569 5.402 0.925
172 HA LEU 21 HA LEU 21 -2.846 6.472 -0.346
173 HB2 LEU 21 1HB LEU 21 -1.299 4.529 -1.039
174 HB3 LEU 21 2HB LEU 21 -2.287 3.527 -0.000
175 HG LEU 21 HG LEU 21 -3.383 5.093 -2.347
176 HD11 LEU 21 1HD1 LEU 21 -1.781 3.484 -3.177
177 HD12 LEU 21 2HD1 LEU 21 -3.416 2.939 -3.546
178 HD13 LEU 21 3HD1 LEU 21 -2.519 2.202 -2.217
179 HD21 LEU 21 1HD2 LEU 21 -5.074 4.538 -0.699
180 HD22 LEU 21 2HD2 LEU 21 -4.558 2.851 -0.695
181 HD23 LEU 21 3HD2 LEU 21 -5.292 3.548 -2.139
182 H SER 22 H SER 22 -2.529 4.159 2.337
183 HA SER 22 HA SER 22 -5.288 3.658 2.637
184 HB2 SER 22 1HB SER 22 -3.466 2.169 3.475
185 HB3 SER 22 2HB SER 22 -3.112 3.357 4.729
186 HG SER 22 HG SER 22 -5.105 2.983 5.636
187 H ARG 23 H ARG 23 -3.157 6.084 4.045
188 HA ARG 23 HA ARG 23 -5.169 7.000 5.916
189 HB2 ARG 23 1HB ARG 23 -3.553 8.510 6.729
190 HB3 ARG 23 2HB ARG 23 -2.632 7.081 6.284
191 HG2 ARG 23 1HG ARG 23 -2.317 8.366 4.015
192 HG3 ARG 23 2HG ARG 23 -2.703 9.775 5.001
193 HD2 ARG 23 1HD ARG 23 -0.415 7.842 5.336
194 HD3 ARG 23 2HD ARG 23 -0.335 9.565 4.975
195 HE ARG 23 HE ARG 23 -1.626 9.180 7.453
196 HH11 ARG 23 1HH1 ARG 23 1.544 8.934 5.982
197 HH12 ARG 23 2HH1 ARG 23 2.390 9.206 7.473
198 HH21 ARG 23 1HH2 ARG 23 -0.534 9.531 9.400
199 HH22 ARG 23 2HH2 ARG 23 1.202 9.560 9.431
200 H ARG 24 H ARG 24 -4.108 7.713 2.700
201 HA ARG 24 HA ARG 24 -5.323 10.253 2.393
202 HB2 ARG 24 1HB ARG 24 -3.660 9.433 0.808
203 HB3 ARG 24 2HB ARG 24 -4.705 8.092 0.363
204 HG2 ARG 24 1HG ARG 24 -6.363 9.780 -0.481
205 HG3 ARG 24 2HG ARG 24 -5.137 11.019 -0.209
206 HD2 ARG 24 1HD ARG 24 -4.870 8.619 -2.023
207 HD3 ARG 24 2HD ARG 24 -5.150 10.282 -2.539
208 HE ARG 24 HE ARG 24 -2.890 10.552 -1.157
209 HH11 ARG 24 1HH1 ARG 24 -3.804 8.196 -3.581
210 HH12 ARG 24 2HH1 ARG 24 -2.187 7.981 -4.171
211 HH21 ARG 24 1HH2 ARG 24 -0.763 10.300 -1.947
212 HH22 ARG 24 2HH2 ARG 24 -0.454 9.205 -3.257
213 H THR 25 H THR 25 -6.437 6.946 1.700
214 HA THR 25 HA THR 25 -9.162 8.010 1.273
215 HB THR 25 HB THR 25 -8.012 5.389 0.273
216 HG1 THR 25 1HG THR 25 -8.305 7.951 -0.911
217 HG21 THR 25 1HG2 THR 25 -10.036 5.312 -1.129
218 HG22 THR 25 2HG2 THR 25 -10.625 6.788 -0.361
219 HG23 THR 25 3HG2 THR 25 -10.445 5.311 0.586
220 H GLY 26 H GLY 26 -10.484 7.677 2.929
221 HA2 GLY 26 1HA GLY 26 -10.022 5.852 5.052
222 HA3 GLY 26 2HA GLY 26 -11.517 6.725 4.745
223 H CYS 27 H CYS 27 -9.645 3.901 3.797
224 HA CYS 27 HA CYS 27 -12.060 2.326 3.467
225 HB2 CYS 27 2HB CYS 27 -10.339 3.213 1.194
226 HB3 CYS 27 1HB CYS 27 -10.899 1.538 1.170
227 H GLU 28 H GLU 28 -10.923 0.099 2.257
228 HA GLU 28 HA GLU 28 -8.849 -0.689 4.204
229 HB2 GLU 28 1HB GLU 28 -10.925 -1.917 4.538
230 HB3 GLU 28 2HB GLU 28 -10.991 -2.339 2.832
231 HG2 GLU 28 1HG GLU 28 -8.990 -3.705 3.070
232 HG3 GLU 28 2HG GLU 28 -8.869 -3.252 4.771
233 H VAL 29 H VAL 29 -6.922 -0.733 3.263
234 HA VAL 29 HA VAL 29 -6.721 -1.555 0.433
235 HB VAL 29 HB VAL 29 -4.912 0.380 1.907
236 HG11 VAL 29 1HG1 VAL 29 -3.750 -0.849 0.143
237 HG12 VAL 29 2HG1 VAL 29 -3.966 0.841 -0.314
238 HG13 VAL 29 3HG1 VAL 29 -5.005 -0.402 -1.012
239 HG21 VAL 29 1HG2 VAL 29 -7.049 0.933 -0.160
240 HG22 VAL 29 2HG2 VAL 29 -5.930 2.124 0.506
241 HG23 VAL 29 3HG2 VAL 29 -7.124 1.354 1.552
242 H GLU 30 H GLU 30 -5.566 -3.313 0.057
243 HA GLU 30 HA GLU 30 -3.563 -4.190 2.045
244 HB2 GLU 30 1HB GLU 30 -5.518 -5.734 1.714
245 HB3 GLU 30 2HB GLU 30 -5.049 -5.899 0.028
246 HG2 GLU 30 1HG GLU 30 -2.885 -6.841 0.744
247 HG3 GLU 30 2HG GLU 30 -3.411 -6.724 2.423
248 H VAL 31 H VAL 31 -1.497 -4.107 1.364
249 HA VAL 31 HA VAL 31 -1.017 -3.833 -1.541
250 HB VAL 31 HB VAL 31 0.597 -2.597 0.709
251 HG11 VAL 31 1HG1 VAL 31 1.981 -3.125 -1.229
252 HG12 VAL 31 2HG1 VAL 31 1.764 -1.379 -1.090
253 HG13 VAL 31 3HG1 VAL 31 0.846 -2.291 -2.293
254 HG21 VAL 31 1HG2 VAL 31 -1.588 -1.522 0.481
255 HG22 VAL 31 2HG2 VAL 31 -1.308 -1.293 -1.248
256 HG23 VAL 31 3HG2 VAL 31 -0.300 -0.447 -0.071
257 H GLU 32 H GLU 32 0.404 -5.168 -2.462
258 HA GLU 32 HA GLU 32 2.034 -6.937 -0.749
259 HB2 GLU 32 1HB GLU 32 0.912 -7.389 -3.533
260 HB3 GLU 32 2HB GLU 32 2.015 -8.489 -2.720
261 HG2 GLU 32 1HG GLU 32 0.378 -8.909 -0.989
262 HG3 GLU 32 2HG GLU 32 -0.722 -7.733 -1.710
263 H CYS 33 H CYS 33 4.149 -7.536 -1.686
264 HA CYS 33 HA CYS 33 5.269 -5.288 -3.227
265 HB2 CYS 33 2HB CYS 33 6.505 -6.611 -0.802
266 HB3 CYS 33 1HB CYS 33 7.225 -5.310 -1.745
267 H GLU 34 H GLU 34 6.646 -5.765 -4.795
268 HA GLU 34 HA GLU 34 8.103 -8.319 -4.736
269 HB2 GLU 34 1HB GLU 34 6.840 -7.051 -7.188
270 HB3 GLU 34 2HB GLU 34 7.948 -8.418 -7.225
271 HG2 GLU 34 1HG GLU 34 6.309 -9.700 -5.854
272 HG3 GLU 34 2HG GLU 34 5.188 -8.349 -6.016
273 H THR 35 H THR 35 9.897 -8.028 -6.649
274 HA THR 35 HA THR 35 11.221 -5.481 -5.987
275 HB THR 35 HB THR 35 13.347 -6.782 -6.610
276 HG1 THR 35 1HG THR 35 12.246 -8.559 -7.610
277 HG21 THR 35 1HG2 THR 35 12.761 -6.225 -4.286
278 HG22 THR 35 2HG2 THR 35 13.506 -7.821 -4.386
279 HG23 THR 35 3HG2 THR 35 11.760 -7.677 -4.191