NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
19247 |
2eem   |
15140 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 1H SER 1 -7.936 8.845 -1.717
2 H2 SER 1 2H SER 1 -7.466 9.981 -2.891
3 H3 SER 1 3H SER 1 -6.530 9.765 -1.487
4 HA SER 1 HA SER 1 -6.946 7.688 -3.583
5 HB2 SER 1 2HB SER 1 -4.565 9.465 -2.956
6 HB3 SER 1 1HB SER 1 -4.682 8.299 -4.271
7 HG SER 1 HG SER 1 -5.210 10.249 -5.143
8 H CYS 2 H CYS 2 -7.225 6.003 -2.031
9 HA CYS 2 HA CYS 2 -5.699 5.667 0.366
10 HB2 CYS 2 2HB CYS 2 -7.871 4.513 -0.711
11 HB3 CYS 2 1HB CYS 2 -6.677 3.311 -1.197
12 H ALA 3 H ALA 3 -5.279 4.169 -2.866
13 HA ALA 3 HA ALA 3 -2.954 2.645 -2.323
14 HB1 ALA 3 3HB ALA 3 -4.412 2.537 -4.343
15 HB2 ALA 3 1HB ALA 3 -2.705 2.679 -4.766
16 HB3 ALA 3 2HB ALA 3 -3.759 4.090 -4.869
17 H SER 4 H SER 4 -3.253 6.064 -3.324
18 HA SER 4 HA SER 4 -0.460 6.570 -3.720
19 HB2 SER 4 2HB SER 4 -2.655 8.438 -2.768
20 HB3 SER 4 1HB SER 4 -1.158 8.914 -3.563
21 HG SER 4 HG SER 4 -1.851 7.777 -5.402
22 H ARG 5 H ARG 5 -2.536 6.825 -0.833
23 HA ARG 5 HA ARG 5 -0.507 7.910 0.916
24 HB2 ARG 5 2HB ARG 5 -3.021 7.924 1.228
25 HB3 ARG 5 1HB ARG 5 -2.927 6.201 1.588
26 HG2 ARG 5 2HG ARG 5 -1.459 6.648 3.494
27 HG3 ARG 5 1HG ARG 5 -1.444 8.368 3.106
28 HD2 ARG 5 2HD ARG 5 -3.139 8.365 4.693
29 HD3 ARG 5 1HD ARG 5 -4.114 8.006 3.255
30 HE ARG 5 HE ARG 5 -3.262 6.031 5.297
31 HH11 ARG 5 1HH2 ARG 5 -6.111 6.345 4.456
32 HH12 ARG 5 2HH2 ARG 5 -6.324 5.017 3.366
33 HH21 ARG 5 2HH1 ARG 5 -2.914 4.485 2.939
34 HH22 ARG 5 1HH1 ARG 5 -4.505 3.958 2.502
35 H CYS 6 H CYS 6 -1.616 4.618 0.161
36 HA CYS 6 HA CYS 6 0.068 3.228 2.045
37 HB2 CYS 6 2HB CYS 6 -1.272 2.487 -0.568
38 HB3 CYS 6 1HB CYS 6 -0.460 1.308 0.461
39 H LYS 7 H LYS 7 0.512 4.289 -1.319
40 HA LYS 7 HA LYS 7 2.962 2.926 -1.883
41 HB2 LYS 7 2HB LYS 7 1.345 4.180 -3.425
42 HB3 LYS 7 1HB LYS 7 2.106 5.665 -2.859
43 HG2 LYS 7 2HG LYS 7 4.267 4.037 -3.513
44 HG3 LYS 7 1HG LYS 7 3.090 3.696 -4.781
45 HD2 LYS 7 2HD LYS 7 3.113 6.523 -4.279
46 HD3 LYS 7 1HD LYS 7 4.769 5.975 -4.540
47 HE2 LYS 7 2HE LYS 7 4.005 4.805 -6.628
48 HE3 LYS 7 1HE LYS 7 2.402 5.529 -6.393
49 HZ1 LYS 7 3HZ LYS 7 4.142 6.803 -7.793
50 HZ2 LYS 7 1HZ LYS 7 4.822 7.214 -6.294
51 HZ3 LYS 7 2HZ LYS 7 3.221 7.661 -6.652
52 H GLY 8 H GLY 8 2.299 6.118 -0.425
53 HA2 GLY 8 2HA GLY 8 5.064 6.895 -0.185
54 HA3 GLY 8 1HA GLY 8 3.721 7.609 0.704
55 H HIS 9 H HIS 9 2.805 5.164 1.943
56 HA HIS 9 HA HIS 9 4.409 5.109 4.307
57 HB2 HIS 9 2HB HIS 9 1.937 4.424 3.806
58 HB3 HIS 9 1HB HIS 9 2.625 2.853 3.398
59 HD1 HIS 9 HD1 HIS 9 1.326 4.661 6.206
60 HD2 HIS 9 HD2 HIS 9 4.429 1.927 5.693
61 HE1 HIS 9 HE1 HIS 9 1.860 3.745 8.506
62 H CYS 10 H CYS 10 4.281 2.901 1.495
63 HA CYS 10 HA CYS 10 6.173 0.982 2.530
64 HB2 CYS 10 2HB CYS 10 4.432 1.038 0.500
65 HB3 CYS 10 1HB CYS 10 5.857 1.545 -0.399
66 H ARG 11 H ARG 11 6.518 3.853 0.419
67 HA ARG 11 HA ARG 11 9.344 3.584 -0.049
68 HB2 ARG 11 2HB ARG 11 7.249 5.228 -0.837
69 HB3 ARG 11 1HB ARG 11 8.262 6.313 0.113
70 HG2 ARG 11 2HG ARG 11 10.061 4.820 -1.448
71 HG3 ARG 11 1HG ARG 11 8.736 5.228 -2.537
72 HD2 ARG 11 2HD ARG 11 9.749 7.405 -0.751
73 HD3 ARG 11 1HD ARG 11 10.757 6.935 -2.135
74 HE ARG 11 HE ARG 11 8.926 7.512 -3.621
75 HH11 ARG 11 1HH2 ARG 11 9.095 9.765 -1.456
76 HH12 ARG 11 2HH2 ARG 11 7.408 10.057 -1.200
77 HH21 ARG 11 2HH1 ARG 11 6.394 7.135 -2.788
78 HH22 ARG 11 1HH1 ARG 11 5.874 8.563 -1.957
79 H ALA 12 H ALA 12 7.433 5.242 2.459
80 HA ALA 12 HA ALA 12 9.605 6.521 3.834
81 HB1 ALA 12 3HB ALA 12 6.923 5.472 4.805
82 HB2 ALA 12 1HB ALA 12 7.213 7.067 4.110
83 HB3 ALA 12 2HB ALA 12 7.925 6.640 5.666
84 H ARG 13 H ARG 13 8.310 3.241 3.913
85 HA ARG 13 HA ARG 13 9.895 2.466 6.275
86 HB2 ARG 13 2HB ARG 13 7.920 1.185 4.392
87 HB3 ARG 13 1HB ARG 13 8.842 0.194 5.520
88 HG2 ARG 13 2HG ARG 13 7.817 2.482 6.924
89 HG3 ARG 13 1HG ARG 13 6.493 1.710 6.054
90 HD2 ARG 13 2HD ARG 13 8.436 0.247 7.880
91 HD3 ARG 13 1HD ARG 13 6.786 0.723 8.324
92 HE ARG 13 HE ARG 13 7.499 -1.470 6.530
93 HH11 ARG 13 2HH1 ARG 13 5.770 0.116 4.768
94 HH12 ARG 13 1HH1 ARG 13 4.172 -0.383 5.214
95 HH21 ARG 13 1HH2 ARG 13 5.170 -1.781 8.236
96 HH22 ARG 13 2HH2 ARG 13 3.833 -1.466 7.182
97 H ARG 14 H ARG 14 10.852 3.144 3.241
98 HA ARG 14 HA ARG 14 12.729 2.546 1.961
99 HB2 ARG 14 2HB ARG 14 13.570 2.318 4.407
100 HB3 ARG 14 1HB ARG 14 13.385 0.582 4.161
101 HG2 ARG 14 2HG ARG 14 14.911 0.641 2.262
102 HG3 ARG 14 1HG ARG 14 15.024 2.398 2.368
103 HD2 ARG 14 2HD ARG 14 16.818 2.069 3.727
104 HD3 ARG 14 1HD ARG 14 15.664 1.507 4.953
105 HE ARG 14 HE ARG 14 16.728 -0.395 2.901
106 HH11 ARG 14 1HH2 ARG 14 18.388 0.182 5.428
107 HH12 ARG 14 2HH2 ARG 14 17.901 -1.134 6.442
108 HH21 ARG 14 2HH1 ARG 14 15.119 -1.933 4.510
109 HH22 ARG 14 1HH1 ARG 14 16.043 -2.337 5.920
110 H CYS 15 H CYS 15 10.441 1.383 1.106
111 HA CYS 15 HA CYS 15 11.178 -1.474 0.589
112 HB2 CYS 15 2HB CYS 15 8.466 -0.144 0.814
113 HB3 CYS 15 1HB CYS 15 8.731 -1.851 0.484
114 H GLY 16 H GLY 16 11.004 -2.175 -1.564
115 HA2 GLY 16 2HA GLY 16 10.704 -0.008 -3.573
116 HA3 GLY 16 1HA GLY 16 11.548 -1.529 -3.841
117 H TYR 17 H TYR 17 8.854 -2.550 -2.281
118 HA TYR 17 HA TYR 17 7.186 -2.590 -4.770
119 HB2 TYR 17 2HB TYR 17 8.754 -4.651 -3.885
120 HB3 TYR 17 1HB TYR 17 7.228 -5.017 -3.081
121 HD1 TYR 17 HD1 TYR 17 8.446 -3.849 -6.436
122 HD2 TYR 17 HD2 TYR 17 5.695 -6.318 -4.249
123 HE1 TYR 17 HE1 TYR 17 7.531 -4.720 -8.571
124 HE2 TYR 17 HE2 TYR 17 4.779 -7.188 -6.383
125 HH TYR 17 HH TYR 17 6.080 -7.282 -9.039
126 H TYR 18 H TYR 18 4.965 -2.454 -4.392
127 HA TYR 18 HA TYR 18 3.889 -2.891 -1.683
128 HB2 TYR 18 2HB TYR 18 3.449 -0.677 -1.174
129 HB3 TYR 18 1HB TYR 18 4.905 -0.455 -2.135
130 HD1 TYR 18 HD1 TYR 18 4.742 0.281 -4.511
131 HD2 TYR 18 HD2 TYR 18 1.283 0.047 -1.968
132 HE1 TYR 18 HE1 TYR 18 3.470 1.694 -6.103
133 HE2 TYR 18 HE2 TYR 18 0.017 1.459 -3.560
134 HH TYR 18 HH TYR 18 0.494 1.874 -6.425
135 H VAL 19 H VAL 19 1.619 -3.185 -1.708
136 HA VAL 19 HA VAL 19 0.359 -3.268 -4.431
137 HB VAL 19 HB VAL 19 -0.196 -5.011 -2.005
138 HG11 VAL 19 1HG1 VAL 19 -1.094 -5.044 -4.890
139 HG12 VAL 19 2HG1 VAL 19 -2.095 -5.020 -3.438
140 HG13 VAL 19 3HG1 VAL 19 -1.195 -6.475 -3.865
141 HG21 VAL 19 3HG2 VAL 19 2.032 -5.546 -2.695
142 HG22 VAL 19 1HG2 VAL 19 1.607 -5.424 -4.402
143 HG23 VAL 19 2HG2 VAL 19 1.000 -6.768 -3.436
144 H SER 20 H SER 20 -1.800 -2.503 -4.561
145 HA SER 20 HA SER 20 -3.145 -1.548 -2.101
146 HB2 SER 20 2HB SER 20 -3.254 0.765 -3.027
147 HB3 SER 20 1HB SER 20 -1.595 0.250 -2.734
148 HG SER 20 HG SER 20 -2.956 0.083 -5.233
149 H VAL 21 H VAL 21 -5.304 -1.929 -2.320
150 HA VAL 21 HA VAL 21 -6.605 -1.724 -4.992
151 HB VAL 21 HB VAL 21 -6.149 -4.200 -3.345
152 HG11 VAL 21 1HG1 VAL 21 -8.061 -5.253 -4.690
153 HG12 VAL 21 2HG1 VAL 21 -8.617 -3.606 -4.987
154 HG13 VAL 21 3HG1 VAL 21 -8.529 -4.224 -3.336
155 HG21 VAL 21 3HG2 VAL 21 -4.797 -3.984 -5.306
156 HG22 VAL 21 1HG2 VAL 21 -6.175 -3.482 -6.286
157 HG23 VAL 21 2HG2 VAL 21 -6.057 -5.148 -5.717
158 H LEU 22 H LEU 22 -8.601 -0.760 -4.730
159 HA LEU 22 HA LEU 22 -9.760 -0.656 -1.968
160 HB2 LEU 22 2HB LEU 22 -9.049 1.357 -3.659
161 HB3 LEU 22 1HB LEU 22 -10.727 1.122 -4.147
162 HG LEU 22 HG LEU 22 -9.939 1.384 -1.241
163 HD11 LEU 22 1HD1 LEU 22 -9.174 3.438 -2.148
164 HD12 LEU 22 2HD1 LEU 22 -10.801 3.791 -1.565
165 HD13 LEU 22 3HD1 LEU 22 -10.518 3.530 -3.286
166 HD21 LEU 22 3HD2 LEU 22 -12.505 1.652 -2.830
167 HD22 LEU 22 1HD2 LEU 22 -12.358 2.200 -1.160
168 HD23 LEU 22 2HD2 LEU 22 -12.145 0.493 -1.550
169 H TYR 23 H TYR 23 -11.583 -1.883 -1.667
170 HA TYR 23 HA TYR 23 -13.443 -2.313 -3.966
171 HB2 TYR 23 2HB TYR 23 -11.698 -4.131 -3.794
172 HB3 TYR 23 1HB TYR 23 -12.342 -4.508 -2.196
173 HD1 TYR 23 HD1 TYR 23 -13.221 -4.309 -5.810
174 HD2 TYR 23 HD2 TYR 23 -14.333 -5.782 -1.930
175 HE1 TYR 23 HE1 TYR 23 -14.999 -5.693 -6.844
176 HE2 TYR 23 HE2 TYR 23 -16.110 -7.166 -2.965
177 HH TYR 23 HH TYR 23 -16.264 -8.120 -5.826
178 H ARG 24 H ARG 24 -15.577 -2.297 -3.318
179 HA ARG 24 HA ARG 24 -17.451 -2.067 -1.913
180 HB2 ARG 24 2HB ARG 24 -16.373 -4.447 -1.558
181 HB3 ARG 24 1HB ARG 24 -15.989 -3.813 0.041
182 HG2 ARG 24 2HG ARG 24 -18.637 -3.056 -0.317
183 HG3 ARG 24 1HG ARG 24 -18.572 -4.658 -1.053
184 HD2 ARG 24 2HD ARG 24 -17.543 -5.567 1.014
185 HD3 ARG 24 1HD ARG 24 -17.642 -3.959 1.758
186 HE ARG 24 HE ARG 24 -20.056 -5.468 0.813
187 HH11 ARG 24 2HH1 ARG 24 -20.375 -2.545 1.419
188 HH12 ARG 24 1HH1 ARG 24 -20.887 -2.571 3.074
189 HH21 ARG 24 1HH2 ARG 24 -19.859 -5.847 3.612
190 HH22 ARG 24 2HH2 ARG 24 -20.595 -4.448 4.320
191 H GLY 25 H GLY 25 -15.148 -0.163 -1.492
192 HA2 GLY 25 2HA GLY 25 -14.878 1.692 -0.053
193 HA3 GLY 25 1HA GLY 25 -16.115 1.009 0.998
194 H ARG 26 H ARG 26 -13.523 -1.105 0.114
195 HA ARG 26 HA ARG 26 -12.310 -0.749 2.829
196 HB2 ARG 26 2HB ARG 26 -13.675 -2.846 2.265
197 HB3 ARG 26 1HB ARG 26 -12.392 -3.255 1.129
198 HG2 ARG 26 2HG ARG 26 -11.321 -4.232 2.860
199 HG3 ARG 26 1HG ARG 26 -11.032 -2.608 3.482
200 HD2 ARG 26 2HD ARG 26 -12.212 -3.314 5.308
201 HD3 ARG 26 1HD ARG 26 -13.644 -3.100 4.283
202 HE ARG 26 HE ARG 26 -12.184 -5.690 4.626
203 HH11 ARG 26 1HH2 ARG 26 -13.691 -5.380 2.037
204 HH12 ARG 26 2HH2 ARG 26 -15.235 -6.055 2.438
205 HH21 ARG 26 2HH1 ARG 26 -14.707 -5.885 5.871
206 HH22 ARG 26 1HH1 ARG 26 -15.817 -6.332 4.619
207 H CYS 27 H CYS 27 -10.023 -0.702 2.906
208 HA CYS 27 HA CYS 27 -8.692 -0.415 0.252
209 HB2 CYS 27 2HB CYS 27 -8.832 1.423 2.084
210 HB3 CYS 27 1HB CYS 27 -7.614 0.467 2.929
211 H TYR 28 H TYR 28 -7.324 -1.987 -0.354
212 HA TYR 28 HA TYR 28 -6.225 -3.882 1.685
213 HB2 TYR 28 2HB TYR 28 -6.841 -4.059 -1.280
214 HB3 TYR 28 1HB TYR 28 -5.951 -5.313 -0.422
215 HD1 TYR 28 HD1 TYR 28 -9.211 -3.542 -0.639
216 HD2 TYR 28 HD2 TYR 28 -7.053 -6.848 1.050
217 HE1 TYR 28 HE1 TYR 28 -11.344 -4.536 0.139
218 HE2 TYR 28 HE2 TYR 28 -9.187 -7.841 1.833
219 HH TYR 28 HH TYR 28 -11.643 -6.683 2.422
220 H CYS 29 H CYS 29 -4.307 -2.716 2.230
221 HA CYS 29 HA CYS 29 -2.483 -2.018 -0.038
222 HB2 CYS 29 2HB CYS 29 -2.905 -0.982 2.763
223 HB3 CYS 29 1HB CYS 29 -1.434 -0.606 1.866
224 H LYS 30 H LYS 30 -0.244 -2.550 0.147
225 HA LYS 30 HA LYS 30 0.648 -4.329 2.336
226 HB2 LYS 30 2HB LYS 30 -0.569 -5.612 0.450
227 HB3 LYS 30 1HB LYS 30 0.824 -5.205 -0.553
228 HG2 LYS 30 2HG LYS 30 1.973 -6.908 0.347
229 HG3 LYS 30 1HG LYS 30 1.810 -6.173 1.940
230 HD2 LYS 30 2HD LYS 30 -0.585 -7.592 0.891
231 HD3 LYS 30 1HD LYS 30 0.787 -8.601 1.349
232 HE2 LYS 30 2HE LYS 30 0.292 -8.330 3.542
233 HE3 LYS 30 1HE LYS 30 0.367 -6.566 3.367
234 HZ1 LYS 30 3HZ LYS 30 -1.948 -8.239 2.531
235 HZ2 LYS 30 1HZ LYS 30 -1.863 -6.542 2.515
236 HZ3 LYS 30 2HZ LYS 30 -1.870 -7.380 3.995
237 H CYS 31 H CYS 31 2.957 -4.496 2.402
238 HA CYS 31 HA CYS 31 4.499 -2.774 0.487
239 HB2 CYS 31 2HB CYS 31 3.845 -1.657 2.678
240 HB3 CYS 31 1HB CYS 31 4.804 -2.881 3.498
241 H LEU 32 H LEU 32 6.285 -3.876 -0.263
242 HA LEU 32 HA LEU 32 7.477 -6.040 1.409
243 HB2 LEU 32 2HB LEU 32 6.314 -6.200 -1.372
244 HB3 LEU 32 1HB LEU 32 7.545 -7.345 -0.846
245 HG LEU 32 HG LEU 32 5.071 -6.836 0.809
246 HD11 LEU 32 1HD1 LEU 32 4.487 -7.543 -1.558
247 HD12 LEU 32 2HD1 LEU 32 3.953 -8.652 -0.295
248 HD13 LEU 32 3HD1 LEU 32 5.384 -9.030 -1.253
249 HD21 LEU 32 3HD2 LEU 32 5.652 -9.284 1.419
250 HD22 LEU 32 1HD2 LEU 32 6.722 -8.023 2.030
251 HD23 LEU 32 2HD2 LEU 32 7.197 -8.977 0.625
252 H ARG 33 H ARG 33 9.490 -6.921 -0.033
253 HA ARG 33 HA ARG 33 11.674 -6.418 -0.760
254 HB2 ARG 33 2HB ARG 33 9.955 -4.425 -2.271
255 HB3 ARG 33 1HB ARG 33 11.669 -4.657 -2.606
256 HG2 ARG 33 2HG ARG 33 9.683 -6.938 -2.614
257 HG3 ARG 33 1HG ARG 33 10.066 -6.007 -4.061
258 HD2 ARG 33 2HD ARG 33 12.541 -6.748 -2.803
259 HD3 ARG 33 1HD ARG 33 11.535 -8.200 -2.978
260 HE ARG 33 HE ARG 33 12.089 -6.329 -5.257
261 HH11 ARG 33 2HH1 ARG 33 9.906 -8.416 -5.511
262 HH12 ARG 33 1HH1 ARG 33 10.749 -9.709 -6.296
263 HH21 ARG 33 1HH2 ARG 33 13.904 -8.439 -5.574
264 HH22 ARG 33 2HH2 ARG 33 13.022 -9.721 -6.334
265 H CYS 34 HN CYS 34 11.325 -5.463 1.749
266 HA CYS 34 HA CYS 34 12.127 -2.597 1.751
267 HB2 CYS 34 2HB CYS 34 11.287 -4.450 4.002
268 HB3 CYS 34 1HB CYS 34 11.473 -2.701 4.113
Start of MODEL 2
1 H1 SER 1 1H SER 1 -7.179 6.750 -4.191
2 H2 SER 1 2H SER 1 -5.653 7.075 -4.862
3 H3 SER 1 3H SER 1 -6.941 8.156 -5.108
4 HA SER 1 HA SER 1 -5.430 9.044 -3.438
5 HB2 SER 1 2HB SER 1 -8.041 8.028 -2.277
6 HB3 SER 1 1HB SER 1 -7.193 9.506 -1.832
7 HG SER 1 HG SER 1 -8.467 10.325 -3.312
8 H CYS 2 H CYS 2 -7.096 6.142 -2.118
9 HA CYS 2 HA CYS 2 -5.473 5.784 0.178
10 HB2 CYS 2 2HB CYS 2 -7.691 4.661 -0.761
11 HB3 CYS 2 1HB CYS 2 -6.560 3.449 -1.360
12 H ALA 3 H ALA 3 -5.019 4.587 -3.150
13 HA ALA 3 HA ALA 3 -2.790 2.860 -2.641
14 HB1 ALA 3 3HB ALA 3 -2.602 2.850 -5.022
15 HB2 ALA 3 1HB ALA 3 -3.290 4.469 -5.156
16 HB3 ALA 3 2HB ALA 3 -4.317 3.108 -4.702
17 H SER 4 H SER 4 -2.981 6.354 -3.311
18 HA SER 4 HA SER 4 -0.134 6.754 -3.631
19 HB2 SER 4 2HB SER 4 -2.358 8.649 -2.809
20 HB3 SER 4 1HB SER 4 -0.774 9.130 -3.411
21 HG SER 4 HG SER 4 -2.140 9.124 -5.150
22 H ARG 5 H ARG 5 -2.361 6.957 -0.861
23 HA ARG 5 HA ARG 5 -0.422 7.996 1.022
24 HB2 ARG 5 2HB ARG 5 -2.983 7.991 1.148
25 HB3 ARG 5 1HB ARG 5 -2.864 6.292 1.602
26 HG2 ARG 5 2HG ARG 5 -2.751 7.130 3.721
27 HG3 ARG 5 1HG ARG 5 -1.054 7.391 3.317
28 HD2 ARG 5 2HD ARG 5 -1.841 9.498 4.161
29 HD3 ARG 5 1HD ARG 5 -1.810 9.690 2.396
30 HE ARG 5 HE ARG 5 -4.331 8.726 3.654
31 HH11 ARG 5 2HH1 ARG 5 -4.002 9.672 0.770
32 HH12 ARG 5 1HH1 ARG 5 -4.720 11.246 0.850
33 HH21 ARG 5 1HH2 ARG 5 -4.615 11.404 4.322
34 HH22 ARG 5 2HH2 ARG 5 -5.068 12.231 2.869
35 H CYS 6 H CYS 6 -1.490 4.725 0.125
36 HA CYS 6 HA CYS 6 0.034 3.331 2.143
37 HB2 CYS 6 2HB CYS 6 -1.176 2.592 -0.530
38 HB3 CYS 6 1HB CYS 6 -0.415 1.404 0.530
39 H LYS 7 H LYS 7 0.759 4.408 -1.172
40 HA LYS 7 HA LYS 7 3.237 2.984 -1.491
41 HB2 LYS 7 2HB LYS 7 1.708 4.313 -3.160
42 HB3 LYS 7 1HB LYS 7 2.655 5.710 -2.645
43 HG2 LYS 7 2HG LYS 7 4.738 4.388 -3.206
44 HG3 LYS 7 1HG LYS 7 3.689 3.169 -3.928
45 HD2 LYS 7 2HD LYS 7 2.745 5.513 -5.050
46 HD3 LYS 7 1HD LYS 7 4.483 5.797 -4.966
47 HE2 LYS 7 2HE LYS 7 4.800 4.436 -6.748
48 HE3 LYS 7 1HE LYS 7 4.034 3.097 -5.871
49 HZ1 LYS 7 3HZ LYS 7 2.587 5.267 -7.305
50 HZ2 LYS 7 1HZ LYS 7 1.866 3.979 -6.469
51 HZ3 LYS 7 2HZ LYS 7 2.777 3.676 -7.868
52 H GLY 8 H GLY 8 2.420 6.199 -0.164
53 HA2 GLY 8 2HA GLY 8 5.092 7.095 0.315
54 HA3 GLY 8 1HA GLY 8 3.662 7.664 1.183
55 H HIS 9 H HIS 9 2.809 5.194 2.288
56 HA HIS 9 HA HIS 9 4.384 5.011 4.669
57 HB2 HIS 9 2HB HIS 9 1.915 4.305 4.005
58 HB3 HIS 9 1HB HIS 9 2.675 2.753 3.659
59 HD1 HIS 9 HD1 HIS 9 0.854 4.076 6.256
60 HD2 HIS 9 HD2 HIS 9 4.661 2.375 6.173
61 HE1 HIS 9 HE1 HIS 9 1.355 3.322 8.623
62 H CYS 10 H CYS 10 4.192 2.864 1.812
63 HA CYS 10 HA CYS 10 6.183 0.972 2.670
64 HB2 CYS 10 2HB CYS 10 4.348 1.079 0.726
65 HB3 CYS 10 1HB CYS 10 5.718 1.659 -0.214
66 H ARG 11 H ARG 11 6.336 3.997 0.805
67 HA ARG 11 HA ARG 11 9.100 3.877 0.040
68 HB2 ARG 11 2HB ARG 11 6.905 5.525 -0.342
69 HB3 ARG 11 1HB ARG 11 7.965 6.529 0.643
70 HG2 ARG 11 2HG ARG 11 9.233 5.054 -1.611
71 HG3 ARG 11 1HG ARG 11 8.181 6.405 -2.036
72 HD2 ARG 11 2HD ARG 11 9.479 7.941 -0.683
73 HD3 ARG 11 1HD ARG 11 10.444 6.606 -0.018
74 HE ARG 11 HE ARG 11 11.628 6.487 -2.073
75 HH11 ARG 11 1HH2 ARG 11 11.361 9.395 -2.393
76 HH12 ARG 11 2HH2 ARG 11 10.600 9.559 -3.939
77 HH21 ARG 11 2HH1 ARG 11 9.526 6.253 -4.050
78 HH22 ARG 11 1HH1 ARG 11 9.557 7.773 -4.882
79 H ALA 12 H ALA 12 7.436 5.227 2.890
80 HA ALA 12 HA ALA 12 9.676 6.445 4.171
81 HB1 ALA 12 3HB ALA 12 8.226 6.331 6.150
82 HB2 ALA 12 1HB ALA 12 7.241 5.088 5.378
83 HB3 ALA 12 2HB ALA 12 7.257 6.728 4.730
84 H ARG 13 H ARG 13 8.433 3.100 4.294
85 HA ARG 13 HA ARG 13 10.427 2.232 6.257
86 HB2 ARG 13 2HB ARG 13 7.994 1.388 5.705
87 HB3 ARG 13 1HB ARG 13 8.810 0.426 4.473
88 HG2 ARG 13 2HG ARG 13 10.427 -0.125 6.546
89 HG3 ARG 13 1HG ARG 13 8.948 0.216 7.446
90 HD2 ARG 13 2HD ARG 13 7.725 -1.450 6.081
91 HD3 ARG 13 1HD ARG 13 9.214 -1.800 5.183
92 HE ARG 13 HE ARG 13 9.198 -2.072 8.156
93 HH11 ARG 13 2HH1 ARG 13 11.591 -2.840 6.524
94 HH12 ARG 13 1HH1 ARG 13 11.397 -4.554 6.373
95 HH21 ARG 13 1HH2 ARG 13 8.048 -4.518 7.313
96 HH22 ARG 13 2HH2 ARG 13 9.380 -5.509 6.820
97 H ARG 14 H ARG 14 10.817 3.110 3.103
98 HA ARG 14 HA ARG 14 12.523 2.737 1.538
99 HB2 ARG 14 2HB ARG 14 13.684 2.450 3.900
100 HB3 ARG 14 1HB ARG 14 13.761 0.755 3.420
101 HG2 ARG 14 2HG ARG 14 15.790 1.652 2.613
102 HG3 ARG 14 1HG ARG 14 14.744 1.641 1.192
103 HD2 ARG 14 2HD ARG 14 14.098 4.075 2.047
104 HD3 ARG 14 1HD ARG 14 15.690 3.973 2.825
105 HE ARG 14 HE ARG 14 15.294 3.484 -0.109
106 HH11 ARG 14 1HH2 ARG 14 16.120 6.233 0.703
107 HH12 ARG 14 2HH2 ARG 14 17.848 6.148 0.611
108 HH21 ARG 14 2HH1 ARG 14 17.934 2.672 0.595
109 HH22 ARG 14 1HH1 ARG 14 18.878 4.122 0.550
110 H CYS 15 H CYS 15 10.196 1.309 1.137
111 HA CYS 15 HA CYS 15 11.055 -1.480 0.496
112 HB2 CYS 15 2HB CYS 15 8.340 -0.150 0.703
113 HB3 CYS 15 1HB CYS 15 8.600 -1.861 0.381
114 H GLY 16 H GLY 16 10.859 -2.241 -1.640
115 HA2 GLY 16 2HA GLY 16 10.589 -0.126 -3.704
116 HA3 GLY 16 1HA GLY 16 11.403 -1.668 -3.934
117 H TYR 17 H TYR 17 8.590 -2.421 -2.307
118 HA TYR 17 HA TYR 17 6.965 -2.569 -4.813
119 HB2 TYR 17 2HB TYR 17 8.445 -4.627 -4.139
120 HB3 TYR 17 1HB TYR 17 7.198 -4.892 -2.923
121 HD1 TYR 17 HD1 TYR 17 7.932 -4.776 -6.529
122 HD2 TYR 17 HD2 TYR 17 4.927 -5.512 -3.550
123 HE1 TYR 17 HE1 TYR 17 6.472 -5.800 -8.254
124 HE2 TYR 17 HE2 TYR 17 3.468 -6.538 -5.274
125 HH TYR 17 HH TYR 17 4.391 -7.686 -8.018
126 H TYR 18 H TYR 18 4.713 -2.576 -4.443
127 HA TYR 18 HA TYR 18 3.661 -2.725 -1.695
128 HB2 TYR 18 2HB TYR 18 3.030 -0.473 -1.517
129 HB3 TYR 18 1HB TYR 18 4.583 -0.340 -2.336
130 HD1 TYR 18 HD1 TYR 18 4.534 -0.302 -4.944
131 HD2 TYR 18 HD2 TYR 18 1.107 0.475 -2.472
132 HE1 TYR 18 HE1 TYR 18 3.430 0.855 -6.838
133 HE2 TYR 18 HE2 TYR 18 0.001 1.633 -4.365
134 HH TYR 18 HH TYR 18 0.485 1.324 -7.242
135 H VAL 19 H VAL 19 1.415 -3.190 -1.688
136 HA VAL 19 HA VAL 19 0.132 -3.523 -4.386
137 HB VAL 19 HB VAL 19 -0.096 -5.251 -1.892
138 HG11 VAL 19 1HG1 VAL 19 -1.216 -6.824 -3.555
139 HG12 VAL 19 2HG1 VAL 19 -1.304 -5.450 -4.658
140 HG13 VAL 19 3HG1 VAL 19 -2.149 -5.395 -3.110
141 HG21 VAL 19 3HG2 VAL 19 1.445 -5.554 -4.478
142 HG22 VAL 19 1HG2 VAL 19 1.047 -6.936 -3.459
143 HG23 VAL 19 2HG2 VAL 19 2.063 -5.641 -2.829
144 H SER 20 H SER 20 -1.428 -1.905 -4.456
145 HA SER 20 HA SER 20 -3.092 -1.482 -1.994
146 HB2 SER 20 2HB SER 20 -3.335 0.838 -2.839
147 HB3 SER 20 1HB SER 20 -1.643 0.413 -2.611
148 HG SER 20 HG SER 20 -3.113 0.393 -5.047
149 H VAL 21 H VAL 21 -5.289 -1.716 -2.210
150 HA VAL 21 HA VAL 21 -6.530 -1.726 -4.915
151 HB VAL 21 HB VAL 21 -6.066 -4.061 -3.101
152 HG11 VAL 21 1HG1 VAL 21 -8.444 -4.045 -2.921
153 HG12 VAL 21 2HG1 VAL 21 -8.077 -5.203 -4.199
154 HG13 VAL 21 3HG1 VAL 21 -8.643 -3.584 -4.612
155 HG21 VAL 21 3HG2 VAL 21 -6.383 -3.665 -6.092
156 HG22 VAL 21 1HG2 VAL 21 -6.062 -5.223 -5.329
157 HG23 VAL 21 2HG2 VAL 21 -4.875 -3.923 -5.213
158 H LEU 22 H LEU 22 -8.470 -0.656 -4.769
159 HA LEU 22 HA LEU 22 -9.727 -0.368 -2.062
160 HB2 LEU 22 2HB LEU 22 -8.839 1.560 -3.726
161 HB3 LEU 22 1HB LEU 22 -10.462 1.359 -4.386
162 HG LEU 22 HG LEU 22 -9.965 1.711 -1.423
163 HD11 LEU 22 1HD1 LEU 22 -10.642 4.105 -1.819
164 HD12 LEU 22 2HD1 LEU 22 -10.460 3.816 -3.548
165 HD13 LEU 22 3HD1 LEU 22 -9.061 3.693 -2.482
166 HD21 LEU 22 3HD2 LEU 22 -12.357 2.503 -1.547
167 HD22 LEU 22 1HD2 LEU 22 -12.145 0.808 -1.985
168 HD23 LEU 22 2HD2 LEU 22 -12.373 2.023 -3.244
169 H TYR 23 H TYR 23 -11.335 -1.888 -1.889
170 HA TYR 23 HA TYR 23 -13.420 -1.992 -4.008
171 HB2 TYR 23 2HB TYR 23 -11.582 -3.691 -4.432
172 HB3 TYR 23 1HB TYR 23 -12.032 -4.443 -2.903
173 HD1 TYR 23 HD1 TYR 23 -13.381 -3.443 -6.238
174 HD2 TYR 23 HD2 TYR 23 -13.865 -5.926 -2.766
175 HE1 TYR 23 HE1 TYR 23 -15.217 -4.668 -7.369
176 HE2 TYR 23 HE2 TYR 23 -15.700 -7.151 -3.896
177 HH TYR 23 HH TYR 23 -16.209 -7.393 -6.832
178 H ARG 24 H ARG 24 -15.419 -2.989 -3.212
179 HA ARG 24 HA ARG 24 -17.094 -3.275 -1.582
180 HB2 ARG 24 2HB ARG 24 -15.260 -5.165 -1.320
181 HB3 ARG 24 1HB ARG 24 -14.949 -4.353 0.213
182 HG2 ARG 24 2HG ARG 24 -17.620 -4.469 0.376
183 HG3 ARG 24 1HG ARG 24 -17.368 -5.858 -0.681
184 HD2 ARG 24 2HD ARG 24 -17.297 -6.679 1.597
185 HD3 ARG 24 1HD ARG 24 -15.623 -6.668 1.009
186 HE ARG 24 HE ARG 24 -16.338 -4.125 2.212
187 HH11 ARG 24 2HH1 ARG 24 -13.672 -5.511 2.489
188 HH12 ARG 24 1HH1 ARG 24 -13.683 -5.972 4.159
189 HH21 ARG 24 1HH2 ARG 24 -17.112 -5.525 4.531
190 HH22 ARG 24 2HH2 ARG 24 -15.640 -5.979 5.320
191 H GLY 25 H GLY 25 -15.491 -0.733 -1.523
192 HA2 GLY 25 2HA GLY 25 -15.380 1.184 -0.175
193 HA3 GLY 25 1HA GLY 25 -16.552 0.400 0.887
194 H ARG 26 H ARG 26 -13.449 -1.056 0.093
195 HA ARG 26 HA ARG 26 -12.396 -0.362 2.798
196 HB2 ARG 26 2HB ARG 26 -13.675 -2.656 2.429
197 HB3 ARG 26 1HB ARG 26 -12.152 -3.142 1.687
198 HG2 ARG 26 2HG ARG 26 -11.922 -1.741 4.293
199 HG3 ARG 26 1HG ARG 26 -12.641 -3.351 4.348
200 HD2 ARG 26 2HD ARG 26 -10.691 -4.274 3.140
201 HD3 ARG 26 1HD ARG 26 -9.958 -2.660 3.090
202 HE ARG 26 HE ARG 26 -10.180 -4.372 5.463
203 HH11 ARG 26 1HH2 ARG 26 -8.349 -1.969 4.201
204 HH12 ARG 26 2HH2 ARG 26 -8.277 -0.979 5.622
205 HH21 ARG 26 2HH1 ARG 26 -10.729 -2.761 7.320
206 HH22 ARG 26 1HH1 ARG 26 -9.624 -1.430 7.393
207 H CYS 27 H CYS 27 -10.093 -0.330 2.872
208 HA CYS 27 HA CYS 27 -8.790 -0.318 0.190
209 HB2 CYS 27 2HB CYS 27 -8.894 1.707 1.770
210 HB3 CYS 27 1HB CYS 27 -7.745 0.832 2.783
211 H TYR 28 H TYR 28 -7.497 -2.005 -0.270
212 HA TYR 28 HA TYR 28 -6.363 -3.663 1.942
213 HB2 TYR 28 2HB TYR 28 -6.762 -4.219 -1.023
214 HB3 TYR 28 1HB TYR 28 -6.240 -5.394 0.181
215 HD1 TYR 28 HD1 TYR 28 -9.079 -3.345 -1.011
216 HD2 TYR 28 HD2 TYR 28 -7.803 -6.360 1.765
217 HE1 TYR 28 HE1 TYR 28 -11.443 -3.840 -0.466
218 HE2 TYR 28 HE2 TYR 28 -10.170 -6.856 2.312
219 HH TYR 28 HH TYR 28 -12.663 -6.122 0.519
220 H CYS 29 H CYS 29 -4.427 -2.523 2.381
221 HA CYS 29 HA CYS 29 -2.635 -1.942 0.059
222 HB2 CYS 29 2HB CYS 29 -3.060 -0.791 2.801
223 HB3 CYS 29 1HB CYS 29 -1.528 -0.524 1.968
224 H LYS 30 H LYS 30 -0.423 -2.514 0.179
225 HA LYS 30 HA LYS 30 0.510 -4.257 2.388
226 HB2 LYS 30 2HB LYS 30 -0.719 -5.354 0.218
227 HB3 LYS 30 1HB LYS 30 0.945 -5.288 -0.364
228 HG2 LYS 30 2HG LYS 30 1.728 -6.727 1.285
229 HG3 LYS 30 1HG LYS 30 0.410 -6.339 2.391
230 HD2 LYS 30 2HD LYS 30 -0.948 -7.409 0.252
231 HD3 LYS 30 1HD LYS 30 0.532 -8.367 0.258
232 HE2 LYS 30 2HE LYS 30 -0.811 -9.579 1.755
233 HE3 LYS 30 1HE LYS 30 0.059 -8.506 2.868
234 HZ1 LYS 30 3HZ LYS 30 -2.638 -8.073 1.698
235 HZ2 LYS 30 1HZ LYS 30 -1.778 -6.872 2.533
236 HZ3 LYS 30 2HZ LYS 30 -2.254 -8.290 3.337
237 H CYS 31 H CYS 31 2.816 -4.409 2.431
238 HA CYS 31 HA CYS 31 4.316 -2.680 0.487
239 HB2 CYS 31 2HB CYS 31 3.760 -1.553 2.668
240 HB3 CYS 31 1HB CYS 31 4.635 -2.833 3.495
241 H LEU 32 H LEU 32 6.024 -3.815 -0.370
242 HA LEU 32 HA LEU 32 7.250 -6.022 1.231
243 HB2 LEU 32 2HB LEU 32 6.100 -6.069 -1.565
244 HB3 LEU 32 1HB LEU 32 7.248 -7.287 -1.017
245 HG LEU 32 HG LEU 32 4.877 -6.701 0.714
246 HD11 LEU 32 1HD1 LEU 32 4.762 -8.538 -1.694
247 HD12 LEU 32 2HD1 LEU 32 4.029 -6.934 -1.648
248 HD13 LEU 32 3HD1 LEU 32 3.460 -8.197 -0.554
249 HD21 LEU 32 3HD2 LEU 32 6.502 -9.162 -0.001
250 HD22 LEU 32 1HD2 LEU 32 5.109 -9.181 1.081
251 HD23 LEU 32 2HD2 LEU 32 6.552 -8.268 1.518
252 H ARG 33 H ARG 33 9.226 -6.881 -0.274
253 HA ARG 33 HA ARG 33 11.398 -6.387 -1.045
254 HB2 ARG 33 2HB ARG 33 9.649 -4.330 -2.420
255 HB3 ARG 33 1HB ARG 33 11.366 -4.488 -2.781
256 HG2 ARG 33 2HG ARG 33 9.471 -6.839 -2.895
257 HG3 ARG 33 1HG ARG 33 9.765 -5.801 -4.289
258 HD2 ARG 33 2HD ARG 33 12.319 -6.464 -3.207
259 HD3 ARG 33 1HD ARG 33 11.389 -7.971 -3.340
260 HE ARG 33 HE ARG 33 11.010 -7.454 -5.721
261 HH11 ARG 33 2HH1 ARG 33 13.952 -7.534 -5.615
262 HH12 ARG 33 1HH1 ARG 33 14.415 -6.025 -6.327
263 HH21 ARG 33 1HH2 ARG 33 11.272 -4.588 -5.955
264 HH22 ARG 33 2HH2 ARG 33 12.892 -4.350 -6.518
265 H CYS 34 HN CYS 34 10.933 -5.453 1.537
266 HA CYS 34 HA CYS 34 11.887 -2.644 1.647
267 HB2 CYS 34 2HB CYS 34 11.022 -4.578 3.817
268 HB3 CYS 34 1HB CYS 34 11.274 -2.845 4.014
Start of MODEL 3
1 H1 SER 1 1H SER 1 -7.592 6.730 -4.090
2 H2 SER 1 2H SER 1 -6.060 6.800 -4.823
3 H3 SER 1 3H SER 1 -7.196 8.031 -5.105
4 HA SER 1 HA SER 1 -5.601 8.880 -3.551
5 HB2 SER 1 2HB SER 1 -8.221 9.062 -3.344
6 HB3 SER 1 1HB SER 1 -7.988 8.076 -1.904
7 HG SER 1 HG SER 1 -7.601 10.688 -2.206
8 H CYS 2 H CYS 2 -7.239 6.036 -2.069
9 HA CYS 2 HA CYS 2 -5.482 5.684 0.128
10 HB2 CYS 2 2HB CYS 2 -7.765 4.578 -0.630
11 HB3 CYS 2 1HB CYS 2 -6.704 3.358 -1.333
12 H ALA 3 H ALA 3 -5.249 4.416 -3.204
13 HA ALA 3 HA ALA 3 -3.043 2.656 -2.829
14 HB1 ALA 3 3HB ALA 3 -4.064 4.309 -5.149
15 HB2 ALA 3 1HB ALA 3 -4.316 2.589 -4.850
16 HB3 ALA 3 2HB ALA 3 -2.723 3.177 -5.328
17 H SER 4 H SER 4 -3.093 6.150 -3.621
18 HA SER 4 HA SER 4 -0.240 6.452 -3.883
19 HB2 SER 4 2HB SER 4 -2.286 7.977 -4.524
20 HB3 SER 4 1HB SER 4 -2.098 8.605 -2.889
21 HG SER 4 HG SER 4 0.039 9.144 -3.403
22 H ARG 5 H ARG 5 -2.475 6.768 -1.127
23 HA ARG 5 HA ARG 5 -0.594 7.759 0.798
24 HB2 ARG 5 2HB ARG 5 -3.123 6.086 1.018
25 HB3 ARG 5 1HB ARG 5 -2.284 6.753 2.415
26 HG2 ARG 5 2HG ARG 5 -2.465 9.029 1.188
27 HG3 ARG 5 1HG ARG 5 -3.688 8.232 0.196
28 HD2 ARG 5 2HD ARG 5 -4.715 7.497 2.498
29 HD3 ARG 5 1HD ARG 5 -3.760 8.847 3.144
30 HE ARG 5 HE ARG 5 -5.857 9.116 1.028
31 HH11 ARG 5 1HH2 ARG 5 -5.789 10.177 3.984
32 HH12 ARG 5 2HH2 ARG 5 -5.547 11.864 3.679
33 HH21 ARG 5 2HH1 ARG 5 -4.649 11.402 0.354
34 HH22 ARG 5 1HH1 ARG 5 -4.897 12.560 1.616
35 H CYS 6 H CYS 6 -1.517 4.439 -0.136
36 HA CYS 6 HA CYS 6 0.071 3.081 1.847
37 HB2 CYS 6 2HB CYS 6 -0.965 2.305 -0.893
38 HB3 CYS 6 1HB CYS 6 -0.271 1.160 0.256
39 H LYS 7 H LYS 7 0.770 4.237 -1.447
40 HA LYS 7 HA LYS 7 3.308 2.967 -1.802
41 HB2 LYS 7 2HB LYS 7 1.841 4.198 -3.488
42 HB3 LYS 7 1HB LYS 7 2.441 5.702 -2.790
43 HG2 LYS 7 2HG LYS 7 4.683 5.235 -3.438
44 HG3 LYS 7 1HG LYS 7 4.309 3.549 -3.793
45 HD2 LYS 7 2HD LYS 7 3.123 4.102 -5.762
46 HD3 LYS 7 1HD LYS 7 2.951 5.791 -5.286
47 HE2 LYS 7 2HE LYS 7 4.685 5.507 -7.059
48 HE3 LYS 7 1HE LYS 7 5.396 6.117 -5.551
49 HZ1 LYS 7 3HZ LYS 7 5.179 3.209 -6.061
50 HZ2 LYS 7 1HZ LYS 7 6.210 4.026 -4.989
51 HZ3 LYS 7 2HZ LYS 7 6.498 4.097 -6.661
52 H GLY 8 H GLY 8 2.388 6.099 -0.351
53 HA2 GLY 8 2HA GLY 8 5.062 6.991 0.201
54 HA3 GLY 8 1HA GLY 8 3.604 7.581 1.001
55 H HIS 9 H HIS 9 2.700 5.089 2.071
56 HA HIS 9 HA HIS 9 4.172 4.949 4.526
57 HB2 HIS 9 2HB HIS 9 1.728 4.284 3.853
58 HB3 HIS 9 1HB HIS 9 2.446 2.730 3.432
59 HD1 HIS 9 HD1 HIS 9 0.465 2.891 5.787
60 HD2 HIS 9 HD2 HIS 9 4.595 3.252 6.234
61 HE1 HIS 9 HE1 HIS 9 0.981 2.288 8.192
62 H CYS 10 H CYS 10 4.169 2.860 1.627
63 HA CYS 10 HA CYS 10 6.049 0.914 2.640
64 HB2 CYS 10 2HB CYS 10 4.351 1.033 0.577
65 HB3 CYS 10 1HB CYS 10 5.787 1.593 -0.272
66 H ARG 11 H ARG 11 6.398 3.879 0.662
67 HA ARG 11 HA ARG 11 9.233 3.665 0.231
68 HB2 ARG 11 2HB ARG 11 7.082 5.402 -0.389
69 HB3 ARG 11 1HB ARG 11 8.275 6.390 0.448
70 HG2 ARG 11 2HG ARG 11 8.898 4.567 -1.894
71 HG3 ARG 11 1HG ARG 11 8.642 6.307 -2.026
72 HD2 ARG 11 2HD ARG 11 10.673 6.818 -1.043
73 HD3 ARG 11 1HD ARG 11 10.661 5.367 -0.022
74 HE ARG 11 HE ARG 11 10.984 5.070 -2.976
75 HH11 ARG 11 1HH2 ARG 11 13.550 5.861 -1.713
76 HH12 ARG 11 2HH2 ARG 11 14.244 4.338 -1.268
77 HH21 ARG 11 2HH1 ARG 11 11.250 2.594 -1.558
78 HH22 ARG 11 1HH1 ARG 11 12.938 2.482 -1.184
79 H ALA 12 H ALA 12 7.262 5.166 2.797
80 HA ALA 12 HA ALA 12 9.397 6.408 4.262
81 HB1 ALA 12 3HB ALA 12 6.728 5.258 5.152
82 HB2 ALA 12 1HB ALA 12 6.991 6.893 4.546
83 HB3 ALA 12 2HB ALA 12 7.701 6.397 6.082
84 H ARG 13 H ARG 13 8.152 3.108 4.154
85 HA ARG 13 HA ARG 13 9.752 2.228 6.471
86 HB2 ARG 13 2HB ARG 13 7.755 1.057 4.549
87 HB3 ARG 13 1HB ARG 13 8.733 -0.020 5.545
88 HG2 ARG 13 2HG ARG 13 7.903 0.954 7.572
89 HG3 ARG 13 1HG ARG 13 7.147 2.287 6.697
90 HD2 ARG 13 2HD ARG 13 5.498 0.827 5.723
91 HD3 ARG 13 1HD ARG 13 6.352 -0.618 6.300
92 HE ARG 13 HE ARG 13 4.814 1.271 7.996
93 HH11 ARG 13 1HH2 ARG 13 4.525 -1.774 7.867
94 HH12 ARG 13 2HH2 ARG 13 5.262 -2.241 9.363
95 HH21 ARG 13 2HH1 ARG 13 6.811 0.834 9.856
96 HH22 ARG 13 1HH1 ARG 13 6.562 -0.757 10.495
97 H ARG 14 H ARG 14 10.680 3.105 3.493
98 HA ARG 14 HA ARG 14 12.544 2.633 2.153
99 HB2 ARG 14 2HB ARG 14 13.374 2.253 4.617
100 HB3 ARG 14 1HB ARG 14 13.337 0.547 4.173
101 HG2 ARG 14 2HG ARG 14 14.588 1.785 2.003
102 HG3 ARG 14 1HG ARG 14 15.254 2.610 3.412
103 HD2 ARG 14 2HD ARG 14 16.096 0.588 4.342
104 HD3 ARG 14 1HD ARG 14 15.088 -0.413 3.276
105 HE ARG 14 HE ARG 14 16.480 0.362 1.370
106 HH11 ARG 14 1HH2 ARG 14 18.345 -1.054 3.263
107 HH12 ARG 14 2HH2 ARG 14 19.660 0.066 3.379
108 HH21 ARG 14 2HH1 ARG 14 17.846 2.730 2.068
109 HH22 ARG 14 1HH1 ARG 14 19.377 2.220 2.698
110 H CYS 15 H CYS 15 10.322 1.456 1.206
111 HA CYS 15 HA CYS 15 11.142 -1.353 0.566
112 HB2 CYS 15 2HB CYS 15 8.393 -0.111 0.848
113 HB3 CYS 15 1HB CYS 15 8.700 -1.786 0.412
114 H GLY 16 H GLY 16 10.980 -1.974 -1.611
115 HA2 GLY 16 2HA GLY 16 10.651 0.263 -3.538
116 HA3 GLY 16 1HA GLY 16 11.531 -1.226 -3.857
117 H TYR 17 H TYR 17 8.777 -2.239 -2.314
118 HA TYR 17 HA TYR 17 7.142 -2.280 -4.822
119 HB2 TYR 17 2HB TYR 17 8.759 -4.325 -4.041
120 HB3 TYR 17 1HB TYR 17 7.276 -4.753 -3.192
121 HD1 TYR 17 HD1 TYR 17 8.575 -3.765 -6.556
122 HD2 TYR 17 HD2 TYR 17 5.504 -5.791 -4.338
123 HE1 TYR 17 HE1 TYR 17 7.616 -4.630 -8.673
124 HE2 TYR 17 HE2 TYR 17 4.543 -6.653 -6.457
125 HH TYR 17 HH TYR 17 5.901 -7.023 -9.069
126 H TYR 18 H TYR 18 4.902 -2.255 -4.429
127 HA TYR 18 HA TYR 18 3.854 -2.804 -1.736
128 HB2 TYR 18 2HB TYR 18 3.390 -0.623 -1.116
129 HB3 TYR 18 1HB TYR 18 4.834 -0.334 -2.077
130 HD1 TYR 18 HD1 TYR 18 4.648 0.527 -4.404
131 HD2 TYR 18 HD2 TYR 18 1.202 0.090 -1.868
132 HE1 TYR 18 HE1 TYR 18 3.341 1.996 -5.916
133 HE2 TYR 18 HE2 TYR 18 -0.096 1.558 -3.380
134 HH TYR 18 HH TYR 18 0.211 2.138 -6.088
135 H VAL 19 H VAL 19 1.619 -3.213 -1.786
136 HA VAL 19 HA VAL 19 0.340 -3.175 -4.501
137 HB VAL 19 HB VAL 19 -0.167 -5.006 -2.127
138 HG11 VAL 19 1HG1 VAL 19 -1.067 -5.017 -5.017
139 HG12 VAL 19 2HG1 VAL 19 -2.079 -4.952 -3.576
140 HG13 VAL 19 3HG1 VAL 19 -1.199 -6.428 -3.967
141 HG21 VAL 19 3HG2 VAL 19 1.655 -5.261 -4.523
142 HG22 VAL 19 1HG2 VAL 19 1.024 -6.686 -3.699
143 HG23 VAL 19 2HG2 VAL 19 2.036 -5.536 -2.823
144 H SER 20 H SER 20 -1.893 -2.534 -4.572
145 HA SER 20 HA SER 20 -3.218 -1.650 -2.086
146 HB2 SER 20 2HB SER 20 -3.355 0.688 -2.848
147 HB3 SER 20 1HB SER 20 -1.670 0.184 -2.716
148 HG SER 20 HG SER 20 -1.520 0.095 -4.879
149 H VAL 21 H VAL 21 -5.407 -1.830 -2.282
150 HA VAL 21 HA VAL 21 -6.727 -1.685 -4.937
151 HB VAL 21 HB VAL 21 -6.221 -4.145 -3.301
152 HG11 VAL 21 1HG1 VAL 21 -8.249 -5.208 -4.441
153 HG12 VAL 21 2HG1 VAL 21 -8.818 -3.566 -4.740
154 HG13 VAL 21 3HG1 VAL 21 -8.597 -4.135 -3.084
155 HG21 VAL 21 3HG2 VAL 21 -6.376 -5.111 -5.678
156 HG22 VAL 21 1HG2 VAL 21 -5.043 -3.999 -5.364
157 HG23 VAL 21 2HG2 VAL 21 -6.474 -3.439 -6.231
158 H LEU 22 H LEU 22 -8.705 -0.681 -4.650
159 HA LEU 22 HA LEU 22 -9.786 -0.499 -1.861
160 HB2 LEU 22 2HB LEU 22 -9.081 1.468 -3.580
161 HB3 LEU 22 1HB LEU 22 -10.758 1.242 -4.076
162 HG LEU 22 HG LEU 22 -9.973 1.566 -1.174
163 HD11 LEU 22 1HD1 LEU 22 -10.572 3.658 -3.272
164 HD12 LEU 22 2HD1 LEU 22 -9.219 3.600 -2.143
165 HD13 LEU 22 3HD1 LEU 22 -10.842 3.962 -1.555
166 HD21 LEU 22 3HD2 LEU 22 -12.173 0.674 -1.418
167 HD22 LEU 22 1HD2 LEU 22 -12.539 1.746 -2.769
168 HD23 LEU 22 2HD2 LEU 22 -12.403 2.400 -1.137
169 H TYR 23 H TYR 23 -11.451 -1.915 -1.527
170 HA TYR 23 HA TYR 23 -13.480 -2.270 -3.703
171 HB2 TYR 23 2HB TYR 23 -11.682 -4.097 -3.469
172 HB3 TYR 23 1HB TYR 23 -12.453 -4.486 -1.932
173 HD1 TYR 23 HD1 TYR 23 -13.041 -4.214 -5.598
174 HD2 TYR 23 HD2 TYR 23 -14.502 -5.694 -1.841
175 HE1 TYR 23 HE1 TYR 23 -14.768 -5.534 -6.790
176 HE2 TYR 23 HE2 TYR 23 -16.231 -7.014 -3.033
177 HH TYR 23 HH TYR 23 -16.181 -7.935 -5.905
178 H ARG 24 H ARG 24 -15.584 -2.260 -2.960
179 HA ARG 24 HA ARG 24 -17.388 -1.961 -1.485
180 HB2 ARG 24 2HB ARG 24 -16.179 -4.329 -1.051
181 HB3 ARG 24 1HB ARG 24 -15.979 -3.614 0.547
182 HG2 ARG 24 2HG ARG 24 -18.580 -2.980 0.052
183 HG3 ARG 24 1HG ARG 24 -18.449 -4.500 -0.832
184 HD2 ARG 24 2HD ARG 24 -17.344 -4.345 1.964
185 HD3 ARG 24 1HD ARG 24 -19.089 -4.559 1.725
186 HE ARG 24 HE ARG 24 -18.250 -6.458 0.065
187 HH11 ARG 24 1HH2 ARG 24 -15.460 -6.025 1.347
188 HH12 ARG 24 2HH2 ARG 24 -15.425 -7.347 2.465
189 HH21 ARG 24 2HH1 ARG 24 -18.845 -7.946 2.268
190 HH22 ARG 24 1HH1 ARG 24 -17.350 -8.440 2.990
191 H GLY 25 H GLY 25 -15.134 -0.027 -1.252
192 HA2 GLY 25 2HA GLY 25 -14.750 1.859 0.105
193 HA3 GLY 25 1HA GLY 25 -15.956 1.239 1.229
194 H ARG 26 H ARG 26 -13.435 -0.969 0.388
195 HA ARG 26 HA ARG 26 -12.098 -0.446 3.015
196 HB2 ARG 26 2HB ARG 26 -13.525 -2.663 2.121
197 HB3 ARG 26 1HB ARG 26 -11.847 -3.126 1.850
198 HG2 ARG 26 2HG ARG 26 -11.926 -3.736 4.048
199 HG3 ARG 26 1HG ARG 26 -11.654 -2.017 4.330
200 HD2 ARG 26 2HD ARG 26 -14.463 -3.082 3.991
201 HD3 ARG 26 1HD ARG 26 -13.654 -3.129 5.569
202 HE ARG 26 HE ARG 26 -13.183 -0.549 4.766
203 HH11 ARG 26 2HH1 ARG 26 -15.678 -0.905 3.047
204 HH12 ARG 26 1HH1 ARG 26 -16.904 -0.301 4.109
205 HH21 ARG 26 1HH2 ARG 26 -14.903 -0.468 6.944
206 HH22 ARG 26 2HH2 ARG 26 -16.465 -0.052 6.322
207 H CYS 27 H CYS 27 -9.803 -0.528 3.004
208 HA CYS 27 HA CYS 27 -8.586 -0.431 0.282
209 HB2 CYS 27 2HB CYS 27 -8.556 1.470 2.088
210 HB3 CYS 27 1HB CYS 27 -7.278 0.504 2.824
211 H TYR 28 H TYR 28 -7.330 -2.088 -0.318
212 HA TYR 28 HA TYR 28 -6.203 -3.951 1.734
213 HB2 TYR 28 2HB TYR 28 -6.961 -4.191 -1.194
214 HB3 TYR 28 1HB TYR 28 -6.069 -5.449 -0.344
215 HD1 TYR 28 HD1 TYR 28 -9.283 -3.588 -0.464
216 HD2 TYR 28 HD2 TYR 28 -7.144 -6.912 1.215
217 HE1 TYR 28 HE1 TYR 28 -11.407 -4.506 0.425
218 HE2 TYR 28 HE2 TYR 28 -9.268 -7.828 2.109
219 HH TYR 28 HH TYR 28 -11.954 -6.177 2.535
220 H CYS 29 H CYS 29 -4.215 -2.826 2.144
221 HA CYS 29 HA CYS 29 -2.486 -2.331 -0.247
222 HB2 CYS 29 2HB CYS 29 -2.869 -0.993 2.411
223 HB3 CYS 29 1HB CYS 29 -1.346 -0.792 1.545
224 H LYS 30 H LYS 30 -0.222 -2.773 -0.043
225 HA LYS 30 HA LYS 30 0.687 -4.472 2.215
226 HB2 LYS 30 2HB LYS 30 -0.268 -5.444 -0.304
227 HB3 LYS 30 1HB LYS 30 1.473 -5.719 -0.244
228 HG2 LYS 30 2HG LYS 30 0.792 -6.495 2.263
229 HG3 LYS 30 1HG LYS 30 -0.690 -6.912 1.404
230 HD2 LYS 30 2HD LYS 30 2.043 -7.723 0.394
231 HD3 LYS 30 1HD LYS 30 1.108 -8.733 1.497
232 HE2 LYS 30 2HE LYS 30 -0.525 -9.205 -0.099
233 HE3 LYS 30 1HE LYS 30 -0.222 -7.705 -0.999
234 HZ1 LYS 30 3HZ LYS 30 0.734 -9.607 -2.155
235 HZ2 LYS 30 1HZ LYS 30 1.648 -10.011 -0.785
236 HZ3 LYS 30 2HZ LYS 30 1.960 -8.562 -1.617
237 H CYS 31 H CYS 31 3.005 -4.595 2.308
238 HA CYS 31 HA CYS 31 4.499 -2.769 0.447
239 HB2 CYS 31 2HB CYS 31 3.845 -1.826 2.727
240 HB3 CYS 31 1HB CYS 31 4.876 -3.060 3.436
241 H LEU 32 H LEU 32 6.257 -3.819 -0.429
242 HA LEU 32 HA LEU 32 7.517 -6.066 1.085
243 HB2 LEU 32 2HB LEU 32 6.406 -6.026 -1.728
244 HB3 LEU 32 1HB LEU 32 7.575 -7.236 -1.210
245 HG LEU 32 HG LEU 32 5.212 -6.808 0.554
246 HD11 LEU 32 1HD1 LEU 32 5.080 -8.242 -2.115
247 HD12 LEU 32 2HD1 LEU 32 4.167 -6.804 -1.657
248 HD13 LEU 32 3HD1 LEU 32 3.851 -8.341 -0.854
249 HD21 LEU 32 3HD2 LEU 32 5.432 -9.314 0.673
250 HD22 LEU 32 1HD2 LEU 32 6.888 -8.454 1.170
251 HD23 LEU 32 2HD2 LEU 32 6.806 -9.197 -0.427
252 H ARG 33 H ARG 33 9.536 -6.805 -0.405
253 HA ARG 33 HA ARG 33 11.708 -6.228 -1.114
254 HB2 ARG 33 2HB ARG 33 9.988 -4.123 -2.469
255 HB3 ARG 33 1HB ARG 33 11.684 -4.394 -2.860
256 HG2 ARG 33 2HG ARG 33 9.634 -6.614 -2.947
257 HG3 ARG 33 1HG ARG 33 9.973 -5.594 -4.342
258 HD2 ARG 33 2HD ARG 33 12.516 -6.298 -3.572
259 HD3 ARG 33 1HD ARG 33 11.600 -7.768 -3.185
260 HE ARG 33 HE ARG 33 10.596 -7.286 -5.620
261 HH11 ARG 33 2HH1 ARG 33 12.710 -5.337 -6.338
262 HH12 ARG 33 1HH1 ARG 33 13.929 -6.337 -7.052
263 HH21 ARG 33 1HH2 ARG 33 12.652 -9.289 -5.732
264 HH22 ARG 33 2HH2 ARG 33 13.897 -8.584 -6.708
265 H CYS 34 HN CYS 34 11.324 -5.419 1.463
266 HA CYS 34 HA CYS 34 12.116 -2.555 1.630
267 HB2 CYS 34 2HB CYS 34 11.308 -4.542 3.774
268 HB3 CYS 34 1HB CYS 34 11.463 -2.797 3.978
Start of MODEL 4
1 H1 SER 1 1H SER 1 -5.693 7.021 -4.688
2 H2 SER 1 2H SER 1 -6.941 8.135 -4.983
3 H3 SER 1 3H SER 1 -7.247 6.734 -4.071
4 HA SER 1 HA SER 1 -5.470 8.987 -3.261
5 HB2 SER 1 2HB SER 1 -8.088 9.134 -3.374
6 HB3 SER 1 1HB SER 1 -8.035 8.082 -1.963
7 HG SER 1 HG SER 1 -6.822 9.632 -0.897
8 H CYS 2 H CYS 2 -7.264 6.150 -1.953
9 HA CYS 2 HA CYS 2 -5.675 5.767 0.366
10 HB2 CYS 2 2HB CYS 2 -7.927 4.714 -0.520
11 HB3 CYS 2 1HB CYS 2 -6.862 3.477 -1.184
12 H ALA 3 H ALA 3 -5.332 4.334 -2.894
13 HA ALA 3 HA ALA 3 -3.089 2.654 -2.338
14 HB1 ALA 3 3HB ALA 3 -2.862 2.651 -4.782
15 HB2 ALA 3 1HB ALA 3 -3.847 4.109 -4.894
16 HB3 ALA 3 2HB ALA 3 -4.570 2.594 -4.349
17 H SER 4 H SER 4 -3.281 6.075 -3.326
18 HA SER 4 HA SER 4 -0.483 6.505 -3.763
19 HB2 SER 4 2HB SER 4 -2.509 8.498 -2.717
20 HB3 SER 4 1HB SER 4 -1.107 8.825 -3.731
21 HG SER 4 HG SER 4 -2.110 7.767 -5.416
22 H ARG 5 H ARG 5 -2.515 6.825 -0.845
23 HA ARG 5 HA ARG 5 -0.467 7.875 0.888
24 HB2 ARG 5 2HB ARG 5 -2.936 7.921 1.292
25 HB3 ARG 5 1HB ARG 5 -2.911 6.172 1.506
26 HG2 ARG 5 2HG ARG 5 -1.260 6.490 3.375
27 HG3 ARG 5 1HG ARG 5 -1.487 8.231 3.216
28 HD2 ARG 5 2HD ARG 5 -3.919 7.944 3.666
29 HD3 ARG 5 1HD ARG 5 -3.652 6.204 3.890
30 HE ARG 5 HE ARG 5 -2.006 8.075 5.513
31 HH11 ARG 5 2HH1 ARG 5 -4.817 8.048 6.519
32 HH12 ARG 5 1HH1 ARG 5 -4.797 6.735 7.648
33 HH21 ARG 5 1HH2 ARG 5 -1.840 5.381 6.418
34 HH22 ARG 5 2HH2 ARG 5 -3.104 5.219 7.589
35 H CYS 6 H CYS 6 -1.594 4.580 0.166
36 HA CYS 6 HA CYS 6 0.093 3.179 2.019
37 HB2 CYS 6 2HB CYS 6 -1.182 2.444 -0.630
38 HB3 CYS 6 1HB CYS 6 -0.437 1.269 0.452
39 H LYS 7 H LYS 7 0.595 4.301 -1.316
40 HA LYS 7 HA LYS 7 3.055 2.948 -1.864
41 HB2 LYS 7 2HB LYS 7 1.500 4.209 -3.433
42 HB3 LYS 7 1HB LYS 7 2.166 5.703 -2.777
43 HG2 LYS 7 2HG LYS 7 4.479 4.554 -3.367
44 HG3 LYS 7 1HG LYS 7 3.486 3.640 -4.502
45 HD2 LYS 7 2HD LYS 7 3.192 6.625 -4.377
46 HD3 LYS 7 1HD LYS 7 4.559 5.931 -5.247
47 HE2 LYS 7 2HE LYS 7 1.778 4.884 -5.770
48 HE3 LYS 7 1HE LYS 7 2.338 6.366 -6.569
49 HZ1 LYS 7 3HZ LYS 7 2.944 4.463 -7.902
50 HZ2 LYS 7 1HZ LYS 7 3.715 3.731 -6.582
51 HZ3 LYS 7 2HZ LYS 7 4.351 5.157 -7.251
52 H GLY 8 H GLY 8 2.363 6.142 -0.414
53 HA2 GLY 8 2HA GLY 8 5.103 6.918 -0.043
54 HA3 GLY 8 1HA GLY 8 3.725 7.595 0.827
55 H HIS 9 H HIS 9 2.796 5.119 1.977
56 HA HIS 9 HA HIS 9 4.326 5.003 4.384
57 HB2 HIS 9 2HB HIS 9 1.877 4.251 3.666
58 HB3 HIS 9 1HB HIS 9 2.666 2.692 3.425
59 HD1 HIS 9 HD1 HIS 9 4.539 2.407 5.711
60 HD2 HIS 9 HD2 HIS 9 0.798 4.184 6.200
61 HE1 HIS 9 HE1 HIS 9 3.979 2.235 8.174
62 H CYS 10 H CYS 10 4.331 2.896 1.493
63 HA CYS 10 HA CYS 10 6.238 0.987 2.532
64 HB2 CYS 10 2HB CYS 10 4.524 1.034 0.480
65 HB3 CYS 10 1HB CYS 10 5.953 1.580 -0.391
66 H ARG 11 H ARG 11 6.525 3.935 0.535
67 HA ARG 11 HA ARG 11 9.354 3.753 0.040
68 HB2 ARG 11 2HB ARG 11 7.189 5.421 -0.598
69 HB3 ARG 11 1HB ARG 11 8.283 6.457 0.313
70 HG2 ARG 11 2HG ARG 11 9.153 4.723 -2.016
71 HG3 ARG 11 1HG ARG 11 8.734 6.429 -2.167
72 HD2 ARG 11 2HD ARG 11 10.832 5.486 -0.194
73 HD3 ARG 11 1HD ARG 11 11.238 5.907 -1.869
74 HE ARG 11 HE ARG 11 9.597 7.972 -0.710
75 HH11 ARG 11 2HH1 ARG 11 11.951 8.624 -2.356
76 HH12 ARG 11 1HH1 ARG 11 13.088 9.222 -1.195
77 HH21 ARG 11 1HH2 ARG 11 11.411 7.875 1.533
78 HH22 ARG 11 2HH2 ARG 11 12.780 8.800 1.015
79 H ALA 12 H ALA 12 7.408 5.210 2.640
80 HA ALA 12 HA ALA 12 9.575 6.452 4.077
81 HB1 ALA 12 3HB ALA 12 6.874 5.391 4.978
82 HB2 ALA 12 1HB ALA 12 7.176 7.003 4.330
83 HB3 ALA 12 2HB ALA 12 7.870 6.531 5.881
84 H ARG 13 H ARG 13 8.285 3.175 3.964
85 HA ARG 13 HA ARG 13 9.798 2.286 6.335
86 HB2 ARG 13 2HB ARG 13 7.803 1.178 4.391
87 HB3 ARG 13 1HB ARG 13 8.791 0.042 5.307
88 HG2 ARG 13 2HG ARG 13 7.720 2.185 6.984
89 HG3 ARG 13 1HG ARG 13 6.451 1.244 6.203
90 HD2 ARG 13 2HD ARG 13 8.667 -0.374 7.329
91 HD3 ARG 13 1HD ARG 13 7.671 0.476 8.525
92 HE ARG 13 HE ARG 13 5.869 -0.636 6.664
93 HH11 ARG 13 1HH2 ARG 13 6.550 -1.204 9.732
94 HH12 ARG 13 2HH2 ARG 13 6.554 -2.934 9.683
95 HH21 ARG 13 2HH1 ARG 13 6.610 -3.100 6.211
96 HH22 ARG 13 1HH1 ARG 13 6.589 -4.010 7.684
97 H ARG 14 H ARG 14 10.824 3.117 3.358
98 HA ARG 14 HA ARG 14 12.709 2.567 2.068
99 HB2 ARG 14 2HB ARG 14 13.643 2.400 4.416
100 HB3 ARG 14 1HB ARG 14 13.302 0.674 4.366
101 HG2 ARG 14 2HG ARG 14 14.669 0.722 2.135
102 HG3 ARG 14 1HG ARG 14 15.298 2.247 2.759
103 HD2 ARG 14 2HD ARG 14 16.825 0.556 3.524
104 HD3 ARG 14 1HD ARG 14 15.820 0.949 4.932
105 HE ARG 14 HE ARG 14 15.287 -1.401 3.140
106 HH11 ARG 14 2HH1 ARG 14 16.726 -1.659 5.834
107 HH12 ARG 14 1HH1 ARG 14 15.424 -2.169 6.855
108 HH21 ARG 14 1HH2 ARG 14 12.945 -1.239 4.600
109 HH22 ARG 14 2HH2 ARG 14 13.274 -1.930 6.154
110 H CYS 15 H CYS 15 10.538 1.431 1.067
111 HA CYS 15 HA CYS 15 11.295 -1.412 0.507
112 HB2 CYS 15 2HB CYS 15 8.546 -0.172 0.814
113 HB3 CYS 15 1HB CYS 15 8.861 -1.859 0.436
114 H GLY 16 H GLY 16 11.077 -2.052 -1.668
115 HA2 GLY 16 2HA GLY 16 10.624 0.170 -3.595
116 HA3 GLY 16 1HA GLY 16 11.574 -1.272 -3.930
117 H TYR 17 H TYR 17 8.722 -2.116 -2.269
118 HA TYR 17 HA TYR 17 7.142 -2.417 -4.780
119 HB2 TYR 17 2HB TYR 17 8.819 -4.367 -3.981
120 HB3 TYR 17 1HB TYR 17 7.418 -4.788 -2.998
121 HD1 TYR 17 HD1 TYR 17 8.317 -3.847 -6.512
122 HD2 TYR 17 HD2 TYR 17 5.728 -6.099 -3.929
123 HE1 TYR 17 HE1 TYR 17 7.249 -4.891 -8.492
124 HE2 TYR 17 HE2 TYR 17 4.660 -7.142 -5.908
125 HH TYR 17 HH TYR 17 4.469 -6.199 -8.602
126 H TYR 18 H TYR 18 4.897 -2.469 -4.377
127 HA TYR 18 HA TYR 18 3.860 -2.940 -1.676
128 HB2 TYR 18 2HB TYR 18 3.364 -0.749 -1.097
129 HB3 TYR 18 1HB TYR 18 4.827 -0.475 -2.035
130 HD1 TYR 18 HD1 TYR 18 4.659 0.278 -4.421
131 HD2 TYR 18 HD2 TYR 18 1.216 0.027 -1.857
132 HE1 TYR 18 HE1 TYR 18 3.384 1.720 -5.983
133 HE2 TYR 18 HE2 TYR 18 -0.052 1.469 -3.420
134 HH TYR 18 HH TYR 18 0.375 1.917 -6.258
135 H VAL 19 H VAL 19 1.592 -3.271 -1.695
136 HA VAL 19 HA VAL 19 0.325 -3.325 -4.415
137 HB VAL 19 HB VAL 19 -0.231 -5.055 -1.979
138 HG11 VAL 19 1HG1 VAL 19 -2.146 -5.161 -3.325
139 HG12 VAL 19 2HG1 VAL 19 -1.190 -6.514 -3.930
140 HG13 VAL 19 3HG1 VAL 19 -1.223 -4.991 -4.818
141 HG21 VAL 19 3HG2 VAL 19 1.994 -5.593 -2.698
142 HG22 VAL 19 1HG2 VAL 19 1.534 -5.505 -4.399
143 HG23 VAL 19 2HG2 VAL 19 0.943 -6.828 -3.394
144 H SER 20 H SER 20 -1.835 -2.545 -4.546
145 HA SER 20 HA SER 20 -3.161 -1.571 -2.083
146 HB2 SER 20 2HB SER 20 -3.273 0.734 -3.013
147 HB3 SER 20 1HB SER 20 -1.609 0.217 -2.752
148 HG SER 20 HG SER 20 -3.025 0.058 -5.222
149 H VAL 21 H VAL 21 -5.341 -1.844 -2.272
150 HA VAL 21 HA VAL 21 -6.643 -1.742 -4.947
151 HB VAL 21 HB VAL 21 -6.150 -4.145 -3.238
152 HG11 VAL 21 1HG1 VAL 21 -8.509 -4.144 -2.960
153 HG12 VAL 21 2HG1 VAL 21 -8.215 -5.223 -4.323
154 HG13 VAL 21 3HG1 VAL 21 -8.783 -3.578 -4.608
155 HG21 VAL 21 3HG2 VAL 21 -6.333 -5.201 -5.555
156 HG22 VAL 21 1HG2 VAL 21 -5.024 -4.037 -5.345
157 HG23 VAL 21 2HG2 VAL 21 -6.499 -3.562 -6.187
158 H LEU 22 H LEU 22 -8.530 -0.599 -4.700
159 HA LEU 22 HA LEU 22 -9.739 -0.419 -1.963
160 HB2 LEU 22 2HB LEU 22 -8.842 1.559 -3.569
161 HB3 LEU 22 1HB LEU 22 -10.487 1.422 -4.192
162 HG LEU 22 HG LEU 22 -9.926 1.619 -1.230
163 HD11 LEU 22 1HD1 LEU 22 -10.650 3.953 -3.011
164 HD12 LEU 22 2HD1 LEU 22 -8.977 3.579 -2.592
165 HD13 LEU 22 3HD1 LEU 22 -10.134 3.989 -1.324
166 HD21 LEU 22 3HD2 LEU 22 -12.149 0.871 -1.737
167 HD22 LEU 22 1HD2 LEU 22 -12.329 2.068 -3.020
168 HD23 LEU 22 2HD2 LEU 22 -12.285 2.583 -1.335
169 H TYR 23 H TYR 23 -11.512 -1.736 -1.757
170 HA TYR 23 HA TYR 23 -13.506 -1.825 -3.971
171 HB2 TYR 23 2HB TYR 23 -11.754 -3.665 -4.161
172 HB3 TYR 23 1HB TYR 23 -12.381 -4.291 -2.637
173 HD1 TYR 23 HD1 TYR 23 -13.298 -3.489 -6.154
174 HD2 TYR 23 HD2 TYR 23 -14.419 -5.519 -2.538
175 HE1 TYR 23 HE1 TYR 23 -15.135 -4.633 -7.364
176 HE2 TYR 23 HE2 TYR 23 -16.256 -6.663 -3.749
177 HH TYR 23 HH TYR 23 -17.641 -5.852 -6.172
178 H ARG 24 H ARG 24 -15.618 -2.263 -3.237
179 HA ARG 24 HA ARG 24 -17.401 -2.262 -1.702
180 HB2 ARG 24 2HB ARG 24 -16.040 -4.539 -1.555
181 HB3 ARG 24 1HB ARG 24 -15.693 -3.963 0.074
182 HG2 ARG 24 2HG ARG 24 -18.189 -3.598 0.362
183 HG3 ARG 24 1HG ARG 24 -18.412 -4.454 -1.164
184 HD2 ARG 24 2HD ARG 24 -17.640 -6.498 -0.278
185 HD3 ARG 24 1HD ARG 24 -16.799 -5.701 1.068
186 HE ARG 24 HE ARG 24 -19.786 -5.608 0.851
187 HH11 ARG 24 2HH1 ARG 24 -18.006 -4.270 3.018
188 HH12 ARG 24 1HH1 ARG 24 -18.263 -5.361 4.341
189 HH21 ARG 24 1HH2 ARG 24 -19.626 -7.866 2.351
190 HH22 ARG 24 2HH2 ARG 24 -19.183 -7.404 3.960
191 H GLY 25 H GLY 25 -15.363 -0.131 -1.330
192 HA2 GLY 25 2HA GLY 25 -15.016 1.609 0.215
193 HA3 GLY 25 1HA GLY 25 -16.248 0.861 1.232
194 H ARG 26 H ARG 26 -13.442 -0.939 0.157
195 HA ARG 26 HA ARG 26 -12.274 -0.768 2.908
196 HB2 ARG 26 2HB ARG 26 -13.657 -2.843 2.345
197 HB3 ARG 26 1HB ARG 26 -12.424 -3.229 1.146
198 HG2 ARG 26 2HG ARG 26 -11.530 -4.378 2.927
199 HG3 ARG 26 1HG ARG 26 -10.813 -2.800 3.251
200 HD2 ARG 26 2HD ARG 26 -13.366 -2.678 4.429
201 HD3 ARG 26 1HD ARG 26 -12.737 -4.283 4.847
202 HE ARG 26 HE ARG 26 -10.663 -2.304 5.148
203 HH11 ARG 26 2HH1 ARG 26 -12.827 -0.900 6.587
204 HH12 ARG 26 1HH1 ARG 26 -12.733 -1.573 8.180
205 HH21 ARG 26 1HH2 ARG 26 -10.845 -4.320 7.188
206 HH22 ARG 26 2HH2 ARG 26 -11.605 -3.520 8.522
207 H CYS 27 H CYS 27 -10.005 -0.651 2.935
208 HA CYS 27 HA CYS 27 -8.701 -0.417 0.262
209 HB2 CYS 27 2HB CYS 27 -8.849 1.465 2.063
210 HB3 CYS 27 1HB CYS 27 -7.584 0.554 2.887
211 H TYR 28 H TYR 28 -7.382 -2.047 -0.311
212 HA TYR 28 HA TYR 28 -6.222 -3.833 1.790
213 HB2 TYR 28 2HB TYR 28 -6.792 -4.184 -1.175
214 HB3 TYR 28 1HB TYR 28 -6.060 -5.419 -0.155
215 HD1 TYR 28 HD2 TYR 28 -7.352 -6.552 1.588
216 HD2 TYR 28 HD1 TYR 28 -9.156 -3.584 -0.937
217 HE1 TYR 28 HE2 TYR 28 -9.600 -7.280 2.339
218 HE2 TYR 28 HE1 TYR 28 -11.403 -4.310 -0.188
219 HH TYR 28 HH TYR 28 -12.386 -6.554 0.782
220 H CYS 29 H CYS 29 -4.306 -2.638 2.243
221 HA CYS 29 HA CYS 29 -2.523 -2.024 -0.077
222 HB2 CYS 29 2HB CYS 29 -2.881 -0.929 2.707
223 HB3 CYS 29 1HB CYS 29 -1.423 -0.584 1.776
224 H LYS 30 H LYS 30 -0.228 -2.441 0.183
225 HA LYS 30 HA LYS 30 0.672 -4.242 2.341
226 HB2 LYS 30 2HB LYS 30 -0.404 -5.188 -0.130
227 HB3 LYS 30 1HB LYS 30 1.333 -5.492 -0.163
228 HG2 LYS 30 2HG LYS 30 1.214 -6.662 1.970
229 HG3 LYS 30 1HG LYS 30 -0.499 -6.269 2.124
230 HD2 LYS 30 2HD LYS 30 -0.904 -7.519 -0.025
231 HD3 LYS 30 1HD LYS 30 0.780 -8.039 0.023
232 HE2 LYS 30 2HE LYS 30 0.216 -9.724 1.424
233 HE3 LYS 30 1HE LYS 30 -0.384 -8.541 2.602
234 HZ1 LYS 30 3HZ LYS 30 -2.182 -9.977 1.883
235 HZ2 LYS 30 1HZ LYS 30 -1.885 -9.593 0.257
236 HZ3 LYS 30 2HZ LYS 30 -2.452 -8.396 1.323
237 H CYS 31 H CYS 31 2.965 -4.351 2.431
238 HA CYS 31 HA CYS 31 4.483 -2.660 0.466
239 HB2 CYS 31 2HB CYS 31 3.912 -1.516 2.638
240 HB3 CYS 31 1HB CYS 31 4.797 -2.783 3.476
241 H LEU 32 H LEU 32 6.173 -3.834 -0.383
242 HA LEU 32 HA LEU 32 7.382 -6.020 1.258
243 HB2 LEU 32 2HB LEU 32 6.478 -6.161 -1.637
244 HB3 LEU 32 1HB LEU 32 7.280 -7.460 -0.757
245 HG LEU 32 HG LEU 32 5.172 -6.785 0.916
246 HD11 LEU 32 1HD1 LEU 32 3.208 -6.520 -0.380
247 HD12 LEU 32 2HD1 LEU 32 4.036 -6.952 -1.876
248 HD13 LEU 32 3HD1 LEU 32 4.360 -5.399 -1.105
249 HD21 LEU 32 3HD2 LEU 32 5.348 -8.904 -1.249
250 HD22 LEU 32 1HD2 LEU 32 4.182 -8.925 0.074
251 HD23 LEU 32 2HD2 LEU 32 5.907 -9.057 0.416
252 H ARG 33 H ARG 33 9.355 -6.930 -0.180
253 HA ARG 33 HA ARG 33 11.548 -6.490 -0.916
254 HB2 ARG 33 2HB ARG 33 10.069 -4.311 -2.439
255 HB3 ARG 33 1HB ARG 33 11.631 -5.001 -2.872
256 HG2 ARG 33 2HG ARG 33 9.071 -6.613 -2.664
257 HG3 ARG 33 1HG ARG 33 9.699 -5.959 -4.174
258 HD2 ARG 33 2HD ARG 33 11.928 -7.213 -3.368
259 HD3 ARG 33 1HD ARG 33 10.740 -8.226 -2.524
260 HE ARG 33 HE ARG 33 10.077 -7.638 -5.335
261 HH11 ARG 33 2HH1 ARG 33 12.737 -9.218 -4.883
262 HH12 ARG 33 1HH1 ARG 33 12.162 -10.835 -5.104
263 HH21 ARG 33 1HH2 ARG 33 8.808 -9.961 -4.837
264 HH22 ARG 33 2HH2 ARG 33 9.930 -11.258 -5.078
265 H CYS 34 HN CYS 34 11.400 -5.559 1.546
266 HA CYS 34 HA CYS 34 12.146 -2.674 1.545
267 HB2 CYS 34 2HB CYS 34 11.407 -4.583 3.787
268 HB3 CYS 34 1HB CYS 34 11.630 -2.842 3.952
Start of MODEL 5
1 H1 SER 1 1H SER 1 -7.939 9.807 -3.334
2 H2 SER 1 2H SER 1 -7.311 9.572 -1.772
3 H3 SER 1 3H SER 1 -8.373 8.427 -2.446
4 HA SER 1 HA SER 1 -6.754 7.763 -4.074
5 HB2 SER 1 2HB SER 1 -5.107 9.997 -2.841
6 HB3 SER 1 1HB SER 1 -4.626 8.979 -4.197
7 HG SER 1 HG SER 1 -5.491 10.666 -5.209
8 H CYS 2 H CYS 2 -7.017 5.954 -2.589
9 HA CYS 2 HA CYS 2 -5.486 5.847 -0.090
10 HB2 CYS 2 2HB CYS 2 -7.755 4.727 -0.818
11 HB3 CYS 2 1HB CYS 2 -6.707 3.495 -1.519
12 H ALA 3 H ALA 3 -5.193 4.496 -3.376
13 HA ALA 3 HA ALA 3 -3.026 2.715 -2.949
14 HB1 ALA 3 3HB ALA 3 -2.746 2.904 -5.364
15 HB2 ALA 3 1HB ALA 3 -3.589 4.454 -5.372
16 HB3 ALA 3 2HB ALA 3 -4.469 2.974 -4.992
17 H SER 4 H SER 4 -2.980 6.209 -3.728
18 HA SER 4 HA SER 4 -0.116 6.450 -3.903
19 HB2 SER 4 2HB SER 4 -0.728 8.905 -3.466
20 HB3 SER 4 1HB SER 4 -1.517 8.144 -4.844
21 HG SER 4 HG SER 4 -2.547 8.931 -2.374
22 H ARG 5 H ARG 5 -2.415 6.805 -1.202
23 HA ARG 5 HA ARG 5 -0.569 7.755 0.772
24 HB2 ARG 5 2HB ARG 5 -3.120 6.106 0.913
25 HB3 ARG 5 1HB ARG 5 -2.298 6.717 2.345
26 HG2 ARG 5 2HG ARG 5 -2.928 8.635 0.128
27 HG3 ARG 5 1HG ARG 5 -4.225 8.132 1.211
28 HD2 ARG 5 2HD ARG 5 -1.978 8.725 2.860
29 HD3 ARG 5 1HD ARG 5 -2.154 10.065 1.711
30 HE ARG 5 HE ARG 5 -4.625 10.070 2.391
31 HH11 ARG 5 1HH2 ARG 5 -4.322 7.640 4.199
32 HH12 ARG 5 2HH2 ARG 5 -4.238 8.385 5.760
33 HH21 ARG 5 2HH1 ARG 5 -3.569 11.555 4.499
34 HH22 ARG 5 1HH1 ARG 5 -3.810 10.611 5.931
35 H CYS 6 H CYS 6 -1.509 4.438 -0.180
36 HA CYS 6 HA CYS 6 0.089 3.064 1.785
37 HB2 CYS 6 2HB CYS 6 -0.878 2.282 -0.982
38 HB3 CYS 6 1HB CYS 6 -0.272 1.153 0.229
39 H LYS 7 H LYS 7 0.753 4.240 -1.506
40 HA LYS 7 HA LYS 7 3.292 3.003 -1.914
41 HB2 LYS 7 2HB LYS 7 1.721 4.328 -3.495
42 HB3 LYS 7 1HB LYS 7 2.496 5.771 -2.844
43 HG2 LYS 7 2HG LYS 7 4.353 3.628 -3.697
44 HG3 LYS 7 1HG LYS 7 3.438 4.391 -4.999
45 HD2 LYS 7 2HD LYS 7 4.189 6.576 -3.527
46 HD3 LYS 7 1HD LYS 7 5.575 5.510 -3.294
47 HE2 LYS 7 2HE LYS 7 5.931 5.313 -5.676
48 HE3 LYS 7 1HE LYS 7 4.400 6.139 -6.025
49 HZ1 LYS 7 3HZ LYS 7 5.296 8.050 -4.696
50 HZ2 LYS 7 1HZ LYS 7 6.095 7.772 -6.165
51 HZ3 LYS 7 2HZ LYS 7 6.809 7.274 -4.706
52 H GLY 8 H GLY 8 2.402 6.126 -0.414
53 HA2 GLY 8 2HA GLY 8 5.096 6.977 0.121
54 HA3 GLY 8 1HA GLY 8 3.653 7.592 0.928
55 H HIS 9 H HIS 9 2.731 5.073 1.973
56 HA HIS 9 HA HIS 9 4.190 4.935 4.439
57 HB2 HIS 9 2HB HIS 9 1.744 4.231 3.643
58 HB3 HIS 9 1HB HIS 9 2.516 2.660 3.431
59 HD1 HIS 9 HD1 HIS 9 4.491 2.880 5.879
60 HD2 HIS 9 HD2 HIS 9 0.400 3.660 6.041
61 HE1 HIS 9 HE1 HIS 9 3.801 2.576 8.294
62 H CYS 10 H CYS 10 4.240 2.885 1.517
63 HA CYS 10 HA CYS 10 6.100 0.930 2.581
64 HB2 CYS 10 2HB CYS 10 4.389 0.979 0.539
65 HB3 CYS 10 1HB CYS 10 5.801 1.549 -0.343
66 H ARG 11 H ARG 11 6.427 3.881 0.600
67 HA ARG 11 HA ARG 11 9.260 3.657 0.115
68 HB2 ARG 11 2HB ARG 11 7.126 5.326 -0.583
69 HB3 ARG 11 1HB ARG 11 8.195 6.373 0.349
70 HG2 ARG 11 2HG ARG 11 10.080 5.284 -1.133
71 HG3 ARG 11 1HG ARG 11 8.741 4.915 -2.220
72 HD2 ARG 11 2HD ARG 11 8.543 7.087 -2.875
73 HD3 ARG 11 1HD ARG 11 8.690 7.685 -1.211
74 HE ARG 11 HE ARG 11 11.168 6.613 -2.420
75 HH11 ARG 11 1HH2 ARG 11 11.231 8.450 -0.091
76 HH12 ARG 11 2HH2 ARG 11 11.628 9.971 -0.816
77 HH21 ARG 11 2HH1 ARG 11 10.801 8.951 -4.034
78 HH22 ARG 11 1HH1 ARG 11 11.383 10.257 -3.057
79 H ALA 12 H ALA 12 7.314 5.183 2.678
80 HA ALA 12 HA ALA 12 9.484 6.435 4.096
81 HB1 ALA 12 3HB ALA 12 6.774 5.402 5.003
82 HB2 ALA 12 1HB ALA 12 7.101 7.010 4.359
83 HB3 ALA 12 2HB ALA 12 7.781 6.528 5.913
84 H ARG 13 H ARG 13 8.174 3.154 4.082
85 HA ARG 13 HA ARG 13 9.718 2.345 6.463
86 HB2 ARG 13 2HB ARG 13 7.345 1.597 5.640
87 HB3 ARG 13 1HB ARG 13 8.245 0.527 4.564
88 HG2 ARG 13 2HG ARG 13 9.549 -0.099 6.775
89 HG3 ARG 13 1HG ARG 13 8.093 0.508 7.562
90 HD2 ARG 13 2HD ARG 13 7.553 -1.301 5.288
91 HD3 ARG 13 1HD ARG 13 8.378 -2.069 6.657
92 HE ARG 13 HE ARG 13 5.713 -0.764 6.762
93 HH11 ARG 13 1HH2 ARG 13 6.349 -3.592 7.677
94 HH12 ARG 13 2HH2 ARG 13 6.356 -3.403 9.399
95 HH21 ARG 13 2HH1 ARG 13 6.592 0.063 9.277
96 HH22 ARG 13 1HH1 ARG 13 6.494 -1.326 10.308
97 H ARG 14 H ARG 14 10.747 3.074 3.483
98 HA ARG 14 HA ARG 14 12.644 2.489 2.230
99 HB2 ARG 14 2HB ARG 14 13.310 2.097 4.777
100 HB3 ARG 14 1HB ARG 14 13.326 0.408 4.276
101 HG2 ARG 14 2HG ARG 14 14.679 2.180 2.369
102 HG3 ARG 14 1HG ARG 14 15.425 2.187 3.966
103 HD2 ARG 14 2HD ARG 14 14.730 -0.384 2.508
104 HD3 ARG 14 1HD ARG 14 16.318 0.397 2.385
105 HE ARG 14 HE ARG 14 16.008 0.323 5.079
106 HH11 ARG 14 1HH2 ARG 14 17.650 -1.736 3.504
107 HH12 ARG 14 2HH2 ARG 14 17.006 -3.217 4.129
108 HH21 ARG 14 2HH1 ARG 14 14.211 -1.717 5.544
109 HH22 ARG 14 1HH1 ARG 14 15.056 -3.206 5.290
110 H CYS 15 H CYS 15 10.438 1.390 1.205
111 HA CYS 15 HA CYS 15 11.183 -1.449 0.618
112 HB2 CYS 15 2HB CYS 15 8.444 -0.196 0.948
113 HB3 CYS 15 1HB CYS 15 8.738 -1.875 0.516
114 H GLY 16 H GLY 16 10.952 -2.073 -1.564
115 HA2 GLY 16 2HA GLY 16 10.612 0.185 -3.466
116 HA3 GLY 16 1HA GLY 16 11.471 -1.310 -3.814
117 H TYR 17 H TYR 17 8.864 -2.527 -2.317
118 HA TYR 17 HA TYR 17 7.160 -2.448 -4.783
119 HB2 TYR 17 2HB TYR 17 8.738 -4.519 -4.041
120 HB3 TYR 17 1HB TYR 17 7.283 -4.914 -3.127
121 HD1 TYR 17 HD1 TYR 17 8.403 -3.899 -6.554
122 HD2 TYR 17 HD2 TYR 17 5.499 -5.998 -4.186
123 HE1 TYR 17 HE1 TYR 17 7.330 -4.748 -8.623
124 HE2 TYR 17 HE2 TYR 17 4.426 -6.847 -6.254
125 HH TYR 17 HH TYR 17 4.425 -5.796 -8.886
126 H TYR 18 H TYR 18 4.931 -2.383 -4.398
127 HA TYR 18 HA TYR 18 3.851 -2.907 -1.718
128 HB2 TYR 18 2HB TYR 18 3.429 -0.719 -1.095
129 HB3 TYR 18 1HB TYR 18 4.889 -0.461 -2.042
130 HD1 TYR 18 HD1 TYR 18 4.750 0.427 -4.357
131 HD2 TYR 18 HD2 TYR 18 1.260 0.038 -1.874
132 HE1 TYR 18 HE1 TYR 18 3.496 1.940 -5.872
133 HE2 TYR 18 HE2 TYR 18 0.015 1.550 -3.389
134 HH TYR 18 HH TYR 18 0.855 3.522 -5.113
135 H VAL 19 H VAL 19 1.617 -3.292 -1.785
136 HA VAL 19 HA VAL 19 0.358 -3.202 -4.509
137 HB VAL 19 HB VAL 19 -0.207 -5.042 -2.158
138 HG11 VAL 19 1HG1 VAL 19 -1.166 -4.886 -5.013
139 HG12 VAL 19 2HG1 VAL 19 -2.120 -5.033 -3.537
140 HG13 VAL 19 3HG1 VAL 19 -1.195 -6.412 -4.130
141 HG21 VAL 19 3HG2 VAL 19 1.549 -5.392 -4.602
142 HG22 VAL 19 1HG2 VAL 19 0.971 -6.748 -3.634
143 HG23 VAL 19 2HG2 VAL 19 2.024 -5.532 -2.910
144 H SER 20 H SER 20 -1.856 -2.521 -4.601
145 HA SER 20 HA SER 20 -3.178 -1.609 -2.118
146 HB2 SER 20 2HB SER 20 -3.299 0.717 -2.915
147 HB3 SER 20 1HB SER 20 -1.616 0.203 -2.787
148 HG SER 20 HG SER 20 -1.457 0.159 -4.930
149 H VAL 21 H VAL 21 -5.370 -1.760 -2.303
150 HA VAL 21 HA VAL 21 -6.679 -1.700 -4.970
151 HB VAL 21 HB VAL 21 -6.159 -4.087 -3.256
152 HG11 VAL 21 1HG1 VAL 21 -8.254 -5.188 -4.203
153 HG12 VAL 21 2HG1 VAL 21 -8.832 -3.565 -4.577
154 HG13 VAL 21 3HG1 VAL 21 -8.524 -4.030 -2.903
155 HG21 VAL 21 3HG2 VAL 21 -6.596 -3.519 -6.195
156 HG22 VAL 21 1HG2 VAL 21 -6.443 -5.159 -5.565
157 HG23 VAL 21 2HG2 VAL 21 -5.107 -4.021 -5.395
158 H LEU 22 H LEU 22 -8.636 -0.649 -4.742
159 HA LEU 22 HA LEU 22 -9.754 -0.358 -1.977
160 HB2 LEU 22 2HB LEU 22 -8.963 1.554 -3.719
161 HB3 LEU 22 1HB LEU 22 -10.631 1.355 -4.256
162 HG LEU 22 HG LEU 22 -9.951 1.696 -1.334
163 HD11 LEU 22 1HD1 LEU 22 -10.322 4.085 -1.564
164 HD12 LEU 22 2HD1 LEU 22 -10.655 3.906 -3.287
165 HD13 LEU 22 3HD1 LEU 22 -9.030 3.613 -2.668
166 HD21 LEU 22 3HD2 LEU 22 -12.191 0.892 -1.795
167 HD22 LEU 22 1HD2 LEU 22 -12.427 2.125 -3.033
168 HD23 LEU 22 2HD2 LEU 22 -12.309 2.590 -1.337
169 H TYR 23 H TYR 23 -11.380 -1.835 -1.687
170 HA TYR 23 HA TYR 23 -13.515 -2.018 -3.761
171 HB2 TYR 23 2HB TYR 23 -11.700 -3.788 -4.030
172 HB3 TYR 23 1HB TYR 23 -12.210 -4.417 -2.463
173 HD1 TYR 23 HD1 TYR 23 -13.459 -3.599 -5.887
174 HD2 TYR 23 HD2 TYR 23 -14.088 -5.834 -2.273
175 HE1 TYR 23 HE1 TYR 23 -15.308 -4.838 -6.977
176 HE2 TYR 23 HE2 TYR 23 -15.938 -7.074 -3.363
177 HH TYR 23 HH TYR 23 -16.390 -7.461 -6.334
178 H ARG 24 H ARG 24 -15.550 -2.683 -2.889
179 HA ARG 24 HA ARG 24 -17.232 -2.770 -1.248
180 HB2 ARG 24 2HB ARG 24 -15.595 -4.838 -0.970
181 HB3 ARG 24 1HB ARG 24 -15.226 -4.053 0.564
182 HG2 ARG 24 2HG ARG 24 -17.951 -3.903 0.564
183 HG3 ARG 24 1HG ARG 24 -17.703 -5.416 -0.309
184 HD2 ARG 24 2HD ARG 24 -15.978 -5.895 1.659
185 HD3 ARG 24 1HD ARG 24 -17.004 -4.734 2.527
186 HE ARG 24 HE ARG 24 -18.894 -6.220 2.213
187 HH11 ARG 24 2HH1 ARG 24 -16.792 -8.177 3.133
188 HH12 ARG 24 1HH1 ARG 24 -16.944 -9.443 1.961
189 HH21 ARG 24 1HH2 ARG 24 -18.733 -7.488 -0.293
190 HH22 ARG 24 2HH2 ARG 24 -18.053 -9.052 0.011
191 H GLY 25 H GLY 25 -15.323 -0.419 -1.188
192 HA2 GLY 25 2HA GLY 25 -15.113 1.499 0.156
193 HA3 GLY 25 1HA GLY 25 -16.262 0.765 1.274
194 H ARG 26 H ARG 26 -13.358 -0.955 0.354
195 HA ARG 26 HA ARG 26 -12.111 -0.310 2.993
196 HB2 ARG 26 2HB ARG 26 -13.491 -2.567 2.562
197 HB3 ARG 26 1HB ARG 26 -11.962 -3.067 1.841
198 HG2 ARG 26 2HG ARG 26 -11.686 -3.706 4.078
199 HG3 ARG 26 1HG ARG 26 -10.904 -2.124 4.040
200 HD2 ARG 26 2HD ARG 26 -12.645 -1.086 5.204
201 HD3 ARG 26 1HD ARG 26 -13.842 -2.289 4.684
202 HE ARG 26 HE ARG 26 -11.622 -3.016 6.561
203 HH11 ARG 26 2HH1 ARG 26 -13.472 -5.148 5.574
204 HH12 ARG 26 1HH1 ARG 26 -14.652 -5.229 6.841
205 HH21 ARG 26 1HH2 ARG 26 -13.773 -2.154 8.206
206 HH22 ARG 26 2HH2 ARG 26 -14.822 -3.526 8.338
207 H CYS 27 H CYS 27 -9.811 -0.319 2.944
208 HA CYS 27 HA CYS 27 -8.639 -0.327 0.203
209 HB2 CYS 27 2HB CYS 27 -8.630 1.666 1.893
210 HB3 CYS 27 1HB CYS 27 -7.347 0.762 2.697
211 H TYR 28 H TYR 28 -7.449 -2.067 -0.320
212 HA TYR 28 HA TYR 28 -6.236 -3.762 1.820
213 HB2 TYR 28 2HB TYR 28 -6.832 -4.294 -1.115
214 HB3 TYR 28 1HB TYR 28 -6.275 -5.490 0.052
215 HD1 TYR 28 HD2 TYR 28 -7.755 -6.331 1.806
216 HD2 TYR 28 HD1 TYR 28 -9.127 -3.429 -1.043
217 HE1 TYR 28 HE2 TYR 28 -10.097 -6.764 2.494
218 HE2 TYR 28 HE1 TYR 28 -11.468 -3.860 -0.358
219 HH TYR 28 HH TYR 28 -12.500 -6.430 1.135
220 H CYS 29 H CYS 29 -4.210 -2.748 2.141
221 HA CYS 29 HA CYS 29 -2.523 -2.340 -0.299
222 HB2 CYS 29 2HB CYS 29 -2.845 -0.894 2.312
223 HB3 CYS 29 1HB CYS 29 -1.337 -0.744 1.410
224 H LYS 30 H LYS 30 -0.216 -2.721 -0.029
225 HA LYS 30 HA LYS 30 0.665 -4.375 2.265
226 HB2 LYS 30 2HB LYS 30 -0.093 -5.342 -0.404
227 HB3 LYS 30 1HB LYS 30 1.531 -5.842 0.071
228 HG2 LYS 30 2HG LYS 30 0.775 -7.107 1.844
229 HG3 LYS 30 1HG LYS 30 -0.641 -6.090 2.107
230 HD2 LYS 30 2HD LYS 30 -1.223 -7.055 -0.357
231 HD3 LYS 30 1HD LYS 30 -0.287 -8.406 0.282
232 HE2 LYS 30 2HE LYS 30 -1.789 -8.176 2.399
233 HE3 LYS 30 1HE LYS 30 -2.864 -7.240 1.342
234 HZ1 LYS 30 3HZ LYS 30 -3.500 -9.498 1.114
235 HZ2 LYS 30 1HZ LYS 30 -1.895 -10.017 0.937
236 HZ3 LYS 30 2HZ LYS 30 -2.636 -9.109 -0.296
237 H CYS 31 H CYS 31 2.999 -4.601 2.300
238 HA CYS 31 HA CYS 31 4.524 -2.817 0.427
239 HB2 CYS 31 2HB CYS 31 3.855 -1.763 2.647
240 HB3 CYS 31 1HB CYS 31 4.830 -2.995 3.436
241 H LEU 32 H LEU 32 6.299 -3.903 -0.366
242 HA LEU 32 HA LEU 32 7.532 -6.080 1.260
243 HB2 LEU 32 2HB LEU 32 6.329 -6.203 -1.503
244 HB3 LEU 32 1HB LEU 32 7.590 -7.337 -1.029
245 HG LEU 32 HG LEU 32 5.082 -6.905 0.610
246 HD11 LEU 32 1HD1 LEU 32 5.649 -8.840 -1.643
247 HD12 LEU 32 2HD1 LEU 32 4.284 -7.735 -1.480
248 HD13 LEU 32 3HD1 LEU 32 4.408 -9.144 -0.428
249 HD21 LEU 32 3HD2 LEU 32 6.820 -7.927 1.899
250 HD22 LEU 32 1HD2 LEU 32 7.302 -8.965 0.557
251 HD23 LEU 32 2HD2 LEU 32 5.771 -9.248 1.387
252 H ARG 33 H ARG 33 9.542 -6.921 -0.182
253 HA ARG 33 HA ARG 33 11.711 -6.404 -0.938
254 HB2 ARG 33 2HB ARG 33 9.975 -4.397 -2.413
255 HB3 ARG 33 1HB ARG 33 11.686 -4.621 -2.764
256 HG2 ARG 33 2HG ARG 33 9.718 -6.916 -2.781
257 HG3 ARG 33 1HG ARG 33 10.058 -5.955 -4.218
258 HD2 ARG 33 2HD ARG 33 12.391 -7.066 -2.689
259 HD3 ARG 33 1HD ARG 33 11.462 -8.161 -3.734
260 HE ARG 33 HE ARG 33 13.008 -5.803 -4.644
261 HH11 ARG 33 2HH1 ARG 33 13.176 -8.576 -5.851
262 HH12 ARG 33 1HH1 ARG 33 12.280 -8.372 -7.319
263 HH21 ARG 33 1HH2 ARG 33 10.788 -5.400 -6.302
264 HH22 ARG 33 2HH2 ARG 33 10.923 -6.565 -7.577
265 H CYS 34 HN CYS 34 11.459 -5.514 1.571
266 HA CYS 34 HA CYS 34 12.193 -2.631 1.622
267 HB2 CYS 34 2HB CYS 34 11.475 -4.559 3.852
268 HB3 CYS 34 1HB CYS 34 11.612 -2.808 4.000
Start of MODEL 6
1 H1 SER 1 1H SER 1 -7.939 9.458 -2.969
2 H2 SER 1 2H SER 1 -6.797 9.565 -1.714
3 H3 SER 1 3H SER 1 -8.035 8.403 -1.644
4 HA SER 1 HA SER 1 -7.096 7.321 -3.649
5 HB2 SER 1 2HB SER 1 -4.664 8.203 -4.060
6 HB3 SER 1 1HB SER 1 -6.018 9.109 -4.724
7 HG SER 1 HG SER 1 -5.275 10.709 -3.588
8 H CYS 2 H CYS 2 -7.106 5.609 -2.144
9 HA CYS 2 HA CYS 2 -5.423 5.480 0.199
10 HB2 CYS 2 2HB CYS 2 -7.601 4.169 -0.714
11 HB3 CYS 2 1HB CYS 2 -6.359 3.010 -1.188
12 H ALA 3 H ALA 3 -5.087 4.275 -3.132
13 HA ALA 3 HA ALA 3 -2.745 2.687 -2.796
14 HB1 ALA 3 3HB ALA 3 -3.745 4.326 -5.147
15 HB2 ALA 3 1HB ALA 3 -4.222 2.671 -4.765
16 HB3 ALA 3 2HB ALA 3 -2.563 3.020 -5.254
17 H SER 4 H SER 4 -3.074 6.183 -3.551
18 HA SER 4 HA SER 4 -0.236 6.620 -3.889
19 HB2 SER 4 2HB SER 4 -0.896 8.982 -3.800
20 HB3 SER 4 1HB SER 4 -2.061 8.075 -4.758
21 HG SER 4 HG SER 4 -3.010 9.500 -3.180
22 H ARG 5 H ARG 5 -2.417 6.822 -1.090
23 HA ARG 5 HA ARG 5 -0.442 7.961 0.715
24 HB2 ARG 5 2HB ARG 5 -3.028 7.938 0.853
25 HB3 ARG 5 1HB ARG 5 -2.853 6.294 1.468
26 HG2 ARG 5 2HG ARG 5 -0.984 7.852 2.899
27 HG3 ARG 5 1HG ARG 5 -2.466 8.804 2.849
28 HD2 ARG 5 2HD ARG 5 -2.846 7.472 4.740
29 HD3 ARG 5 1HD ARG 5 -3.601 6.483 3.475
30 HE ARG 5 HE ARG 5 -0.769 5.909 3.694
31 HH11 ARG 5 2HH1 ARG 5 -3.292 4.075 3.415
32 HH12 ARG 5 1HH1 ARG 5 -3.123 3.123 4.855
33 HH21 ARG 5 1HH2 ARG 5 -0.779 5.248 6.298
34 HH22 ARG 5 2HH2 ARG 5 -1.692 3.789 6.491
35 H CYS 6 H CYS 6 -1.563 4.673 -0.039
36 HA CYS 6 HA CYS 6 0.001 3.322 1.982
37 HB2 CYS 6 2HB CYS 6 -1.310 2.543 -0.628
38 HB3 CYS 6 1HB CYS 6 -0.459 1.367 0.374
39 H LYS 7 H LYS 7 0.613 4.268 -1.394
40 HA LYS 7 HA LYS 7 3.075 2.856 -1.776
41 HB2 LYS 7 2HB LYS 7 1.502 4.148 -3.408
42 HB3 LYS 7 1HB LYS 7 2.427 5.572 -2.929
43 HG2 LYS 7 2HG LYS 7 4.418 3.735 -3.442
44 HG3 LYS 7 1HG LYS 7 3.210 3.324 -4.658
45 HD2 LYS 7 2HD LYS 7 3.105 5.764 -5.277
46 HD3 LYS 7 1HD LYS 7 4.464 6.041 -4.188
47 HE2 LYS 7 2HE LYS 7 5.526 5.736 -6.279
48 HE3 LYS 7 1HE LYS 7 5.617 4.115 -5.565
49 HZ1 LYS 7 3HZ LYS 7 3.622 3.483 -6.702
50 HZ2 LYS 7 1HZ LYS 7 4.689 4.125 -7.851
51 HZ3 LYS 7 2HZ LYS 7 3.384 5.058 -7.292
52 H GLY 8 H GLY 8 2.356 6.113 -0.484
53 HA2 GLY 8 2HA GLY 8 5.086 6.923 -0.120
54 HA3 GLY 8 1HA GLY 8 3.699 7.610 0.726
55 H HIS 9 H HIS 9 2.775 5.200 1.970
56 HA HIS 9 HA HIS 9 4.340 5.147 4.360
57 HB2 HIS 9 2HB HIS 9 1.863 4.297 3.513
58 HB3 HIS 9 1HB HIS 9 2.709 2.765 3.727
59 HD1 HIS 9 HD1 HIS 9 0.898 2.565 5.783
60 HD2 HIS 9 HD2 HIS 9 3.976 5.336 6.271
61 HE1 HIS 9 HE1 HIS 9 0.992 3.105 8.256
62 H CYS 10 H CYS 10 4.337 3.036 1.497
63 HA CYS 10 HA CYS 10 6.142 1.044 2.578
64 HB2 CYS 10 2HB CYS 10 4.459 1.177 0.497
65 HB3 CYS 10 1HB CYS 10 5.927 1.653 -0.347
66 H ARG 11 H ARG 11 6.566 3.975 0.584
67 HA ARG 11 HA ARG 11 9.385 3.700 0.114
68 HB2 ARG 11 2HB ARG 11 7.305 5.434 -0.544
69 HB3 ARG 11 1HB ARG 11 8.368 6.433 0.442
70 HG2 ARG 11 2HG ARG 11 9.894 6.569 -1.208
71 HG3 ARG 11 1HG ARG 11 9.909 4.816 -1.412
72 HD2 ARG 11 2HD ARG 11 7.435 5.984 -2.438
73 HD3 ARG 11 1HD ARG 11 8.868 6.657 -3.241
74 HE ARG 11 HE ARG 11 8.212 3.743 -3.093
75 HH11 ARG 11 1HH2 ARG 11 11.163 4.637 -3.259
76 HH12 ARG 11 2HH2 ARG 11 11.439 4.509 -4.963
77 HH21 ARG 11 2HH1 ARG 11 8.063 4.340 -5.766
78 HH22 ARG 11 1HH1 ARG 11 9.680 4.339 -6.386
79 H ALA 12 H ALA 12 7.505 5.265 2.711
80 HA ALA 12 HA ALA 12 9.715 6.391 4.160
81 HB1 ALA 12 3HB ALA 12 7.991 6.356 6.026
82 HB2 ALA 12 1HB ALA 12 6.933 5.462 4.934
83 HB3 ALA 12 2HB ALA 12 7.434 7.104 4.529
84 H ARG 13 H ARG 13 8.303 3.159 4.059
85 HA ARG 13 HA ARG 13 9.823 2.212 6.403
86 HB2 ARG 13 2HB ARG 13 7.822 1.112 4.439
87 HB3 ARG 13 1HB ARG 13 8.725 0.008 5.477
88 HG2 ARG 13 2HG ARG 13 7.907 1.120 7.471
89 HG3 ARG 13 1HG ARG 13 7.133 2.376 6.503
90 HD2 ARG 13 2HD ARG 13 6.098 0.009 5.440
91 HD3 ARG 13 1HD ARG 13 6.138 -0.288 7.189
92 HE ARG 13 HE ARG 13 4.791 2.063 5.912
93 HH11 ARG 13 1HH2 ARG 13 5.518 2.622 8.708
94 HH12 ARG 13 2HH2 ARG 13 4.152 2.039 9.598
95 HH21 ARG 13 2HH1 ARG 13 2.931 0.117 6.973
96 HH22 ARG 13 1HH1 ARG 13 2.681 0.616 8.611
97 H ARG 14 H ARG 14 10.867 3.030 3.443
98 HA ARG 14 HA ARG 14 12.732 2.436 2.144
99 HB2 ARG 14 2HB ARG 14 13.557 2.111 4.572
100 HB3 ARG 14 1HB ARG 14 13.302 0.388 4.296
101 HG2 ARG 14 2HG ARG 14 15.534 0.623 3.663
102 HG3 ARG 14 1HG ARG 14 14.712 0.819 2.115
103 HD2 ARG 14 2HD ARG 14 15.417 2.970 1.917
104 HD3 ARG 14 1HD ARG 14 14.934 3.352 3.582
105 HE ARG 14 HE ARG 14 17.519 2.032 2.843
106 HH11 ARG 14 1HH2 ARG 14 17.528 4.875 3.764
107 HH12 ARG 14 2HH2 ARG 14 17.867 4.715 5.456
108 HH21 ARG 14 2HH1 ARG 14 17.070 1.332 5.562
109 HH22 ARG 14 1HH1 ARG 14 17.606 2.701 6.478
110 H CYS 15 H CYS 15 10.486 1.378 1.145
111 HA CYS 15 HA CYS 15 11.164 -1.478 0.551
112 HB2 CYS 15 2HB CYS 15 8.472 -0.119 0.842
113 HB3 CYS 15 1HB CYS 15 8.703 -1.807 0.406
114 H GLY 16 H GLY 16 11.028 -2.089 -1.617
115 HA2 GLY 16 2HA GLY 16 10.719 0.137 -3.560
116 HA3 GLY 16 1HA GLY 16 11.592 -1.360 -3.867
117 H TYR 17 H TYR 17 8.811 -2.305 -2.307
118 HA TYR 17 HA TYR 17 7.203 -2.401 -4.827
119 HB2 TYR 17 2HB TYR 17 8.695 -4.437 -4.334
120 HB3 TYR 17 1HB TYR 17 7.628 -4.740 -2.966
121 HD1 TYR 17 HD2 TYR 17 5.236 -5.277 -3.321
122 HD2 TYR 17 HD1 TYR 17 7.961 -4.784 -6.601
123 HE1 TYR 17 HE2 TYR 17 3.602 -6.360 -4.836
124 HE2 TYR 17 HE1 TYR 17 6.327 -5.867 -8.122
125 HH TYR 17 HH TYR 17 3.248 -6.154 -7.602
126 H TYR 18 H TYR 18 4.938 -2.509 -4.451
127 HA TYR 18 HA TYR 18 3.902 -2.742 -1.701
128 HB2 TYR 18 2HB TYR 18 3.218 -0.495 -1.468
129 HB3 TYR 18 1HB TYR 18 4.798 -0.333 -2.229
130 HD1 TYR 18 HD1 TYR 18 4.925 -0.035 -4.750
131 HD2 TYR 18 HD2 TYR 18 1.239 0.277 -2.558
132 HE1 TYR 18 HE1 TYR 18 3.886 1.147 -6.663
133 HE2 TYR 18 HE2 TYR 18 0.200 1.465 -4.469
134 HH TYR 18 HH TYR 18 1.058 2.878 -6.446
135 H VAL 19 H VAL 19 1.552 -2.878 -1.683
136 HA VAL 19 HA VAL 19 0.286 -3.262 -4.375
137 HB VAL 19 HB VAL 19 -0.119 -4.937 -1.869
138 HG11 VAL 19 1HG1 VAL 19 -1.144 -5.096 -4.706
139 HG12 VAL 19 2HG1 VAL 19 -2.076 -5.075 -3.209
140 HG13 VAL 19 3HG1 VAL 19 -1.135 -6.502 -3.642
141 HG21 VAL 19 3HG2 VAL 19 1.057 -6.695 -3.369
142 HG22 VAL 19 1HG2 VAL 19 2.070 -5.478 -2.594
143 HG23 VAL 19 2HG2 VAL 19 1.640 -5.313 -4.296
144 H SER 20 H SER 20 -1.865 -2.498 -4.500
145 HA SER 20 HA SER 20 -3.215 -1.571 -2.028
146 HB2 SER 20 2HB SER 20 -3.382 0.729 -2.894
147 HB3 SER 20 1HB SER 20 -1.690 0.253 -2.764
148 HG SER 20 HG SER 20 -1.555 0.110 -4.914
149 H VAL 21 H VAL 21 -5.392 -1.876 -2.210
150 HA VAL 21 HA VAL 21 -6.713 -1.835 -4.875
151 HB VAL 21 HB VAL 21 -6.174 -4.222 -3.139
152 HG11 VAL 21 1HG1 VAL 21 -8.738 -3.771 -4.685
153 HG12 VAL 21 2HG1 VAL 21 -8.566 -4.226 -2.990
154 HG13 VAL 21 3HG1 VAL 21 -8.146 -5.377 -4.258
155 HG21 VAL 21 3HG2 VAL 21 -6.411 -3.667 -6.107
156 HG22 VAL 21 1HG2 VAL 21 -6.196 -5.290 -5.450
157 HG23 VAL 21 2HG2 VAL 21 -4.953 -4.065 -5.199
158 H LEU 22 H LEU 22 -8.716 -0.883 -4.642
159 HA LEU 22 HA LEU 22 -9.850 -0.654 -1.876
160 HB2 LEU 22 2HB LEU 22 -9.161 1.273 -3.683
161 HB3 LEU 22 1HB LEU 22 -10.853 1.024 -4.110
162 HG LEU 22 HG LEU 22 -10.060 1.341 -1.224
163 HD11 LEU 22 1HD1 LEU 22 -9.089 3.309 -2.090
164 HD12 LEU 22 2HD1 LEU 22 -10.714 3.819 -1.631
165 HD13 LEU 22 3HD1 LEU 22 -10.338 3.490 -3.322
166 HD21 LEU 22 3HD2 LEU 22 -12.547 1.881 -2.872
167 HD22 LEU 22 1HD2 LEU 22 -12.385 2.338 -1.176
168 HD23 LEU 22 2HD2 LEU 22 -12.334 0.637 -1.640
169 H TYR 23 H TYR 23 -11.481 -2.129 -1.562
170 HA TYR 23 HA TYR 23 -13.364 -2.643 -3.842
171 HB2 TYR 23 2HB TYR 23 -11.548 -4.398 -3.217
172 HB3 TYR 23 1HB TYR 23 -12.556 -4.704 -1.803
173 HD1 TYR 23 HD2 TYR 23 -14.803 -5.652 -2.027
174 HD2 TYR 23 HD1 TYR 23 -12.332 -4.939 -5.467
175 HE1 TYR 23 HE2 TYR 23 -16.312 -7.060 -3.403
176 HE2 TYR 23 HE1 TYR 23 -13.840 -6.348 -6.843
177 HH TYR 23 HH TYR 23 -15.659 -8.471 -5.986
178 H ARG 24 H ARG 24 -15.466 -2.323 -3.307
179 HA ARG 24 HA ARG 24 -17.402 -1.910 -2.043
180 HB2 ARG 24 2HB ARG 24 -16.422 -4.355 -1.516
181 HB3 ARG 24 1HB ARG 24 -16.325 -3.671 0.103
182 HG2 ARG 24 2HG ARG 24 -18.832 -2.860 -0.762
183 HG3 ARG 24 1HG ARG 24 -18.682 -4.482 -1.440
184 HD2 ARG 24 2HD ARG 24 -19.585 -4.850 0.731
185 HD3 ARG 24 1HD ARG 24 -17.849 -5.157 0.943
186 HE ARG 24 HE ARG 24 -17.815 -2.579 1.526
187 HH11 ARG 24 2HH1 ARG 24 -18.205 -4.318 3.871
188 HH12 ARG 24 1HH1 ARG 24 -19.683 -3.733 4.556
189 HH21 ARG 24 1HH2 ARG 24 -20.645 -2.038 1.678
190 HH22 ARG 24 2HH2 ARG 24 -21.072 -2.436 3.309
191 H GLY 25 H GLY 25 -15.016 -0.158 -1.504
192 HA2 GLY 25 2HA GLY 25 -14.819 1.745 -0.097
193 HA3 GLY 25 1HA GLY 25 -16.043 1.053 0.962
194 H ARG 26 H ARG 26 -13.608 -1.225 0.251
195 HA ARG 26 HA ARG 26 -12.314 -0.682 2.892
196 HB2 ARG 26 2HB ARG 26 -13.696 -2.820 2.351
197 HB3 ARG 26 1HB ARG 26 -12.307 -3.292 1.373
198 HG2 ARG 26 2HG ARG 26 -10.840 -3.229 3.279
199 HG3 ARG 26 1HG ARG 26 -12.079 -2.471 4.280
200 HD2 ARG 26 2HD ARG 26 -13.322 -4.795 3.347
201 HD3 ARG 26 1HD ARG 26 -11.662 -5.307 3.709
202 HE ARG 26 HE ARG 26 -12.183 -3.826 5.908
203 HH11 ARG 26 2HH1 ARG 26 -15.137 -4.083 5.233
204 HH12 ARG 26 1HH1 ARG 26 -15.583 -5.466 6.176
205 HH21 ARG 26 1HH2 ARG 26 -12.304 -6.501 6.686
206 HH22 ARG 26 2HH2 ARG 26 -13.972 -6.841 7.000
207 H CYS 27 H CYS 27 -10.032 -0.624 2.959
208 HA CYS 27 HA CYS 27 -8.707 -0.474 0.290
209 HB2 CYS 27 2HB CYS 27 -8.798 1.521 1.825
210 HB3 CYS 27 1HB CYS 27 -7.817 0.613 2.976
211 H TYR 28 H TYR 28 -7.384 -2.106 -0.235
212 HA TYR 28 HA TYR 28 -6.214 -3.843 1.898
213 HB2 TYR 28 2HB TYR 28 -6.732 -4.254 -1.070
214 HB3 TYR 28 1HB TYR 28 -6.029 -5.465 -0.003
215 HD1 TYR 28 HD1 TYR 28 -9.096 -3.525 -0.764
216 HD2 TYR 28 HD2 TYR 28 -7.382 -6.697 1.566
217 HE1 TYR 28 HE1 TYR 28 -11.366 -4.250 -0.087
218 HE2 TYR 28 HE2 TYR 28 -9.652 -7.424 2.247
219 HH TYR 28 HH TYR 28 -12.341 -6.694 0.740
220 H CYS 29 H CYS 29 -4.278 -2.693 2.346
221 HA CYS 29 HA CYS 29 -2.529 -2.037 0.008
222 HB2 CYS 29 2HB CYS 29 -2.921 -0.921 2.774
223 HB3 CYS 29 1HB CYS 29 -1.435 -0.592 1.883
224 H LYS 30 H LYS 30 -0.285 -2.539 0.141
225 HA LYS 30 HA LYS 30 0.675 -4.273 2.345
226 HB2 LYS 30 2HB LYS 30 -0.466 -5.304 0.009
227 HB3 LYS 30 1HB LYS 30 1.271 -5.408 -0.283
228 HG2 LYS 30 2HG LYS 30 1.503 -6.498 1.981
229 HG3 LYS 30 1HG LYS 30 -0.258 -6.549 2.070
230 HD2 LYS 30 2HD LYS 30 -0.384 -7.948 0.101
231 HD3 LYS 30 1HD LYS 30 1.345 -7.766 -0.197
232 HE2 LYS 30 2HE LYS 30 1.861 -9.423 1.272
233 HE3 LYS 30 1HE LYS 30 0.775 -8.761 2.508
234 HZ1 LYS 30 3HZ LYS 30 -0.167 -10.197 0.082
235 HZ2 LYS 30 1HZ LYS 30 -1.101 -9.712 1.414
236 HZ3 LYS 30 2HZ LYS 30 0.051 -10.947 1.591
237 H CYS 31 H CYS 31 2.978 -4.405 2.390
238 HA CYS 31 HA CYS 31 4.470 -2.614 0.491
239 HB2 CYS 31 2HB CYS 31 3.873 -1.657 2.786
240 HB3 CYS 31 1HB CYS 31 4.898 -2.906 3.473
241 H LEU 32 H LEU 32 6.172 -3.730 -0.422
242 HA LEU 32 HA LEU 32 7.370 -6.015 1.088
243 HB2 LEU 32 2HB LEU 32 6.520 -5.997 -1.828
244 HB3 LEU 32 1HB LEU 32 7.244 -7.355 -0.973
245 HG LEU 32 HG LEU 32 5.149 -6.796 0.677
246 HD11 LEU 32 1HD1 LEU 32 3.379 -5.826 -0.366
247 HD12 LEU 32 2HD1 LEU 32 3.707 -6.650 -1.890
248 HD13 LEU 32 3HD1 LEU 32 4.591 -5.182 -1.473
249 HD21 LEU 32 3HD2 LEU 32 4.988 -8.522 -1.813
250 HD22 LEU 32 1HD2 LEU 32 4.066 -8.738 -0.326
251 HD23 LEU 32 2HD2 LEU 32 5.811 -8.992 -0.326
252 H ARG 33 H ARG 33 9.350 -6.836 -0.404
253 HA ARG 33 HA ARG 33 11.539 -6.348 -1.119
254 HB2 ARG 33 2HB ARG 33 9.845 -4.246 -2.503
255 HB3 ARG 33 1HB ARG 33 11.561 -4.454 -2.846
256 HG2 ARG 33 2HG ARG 33 9.521 -6.686 -3.042
257 HG3 ARG 33 1HG ARG 33 10.041 -5.710 -4.414
258 HD2 ARG 33 2HD ARG 33 12.450 -6.501 -3.260
259 HD3 ARG 33 1HD ARG 33 11.424 -7.941 -3.117
260 HE ARG 33 HE ARG 33 12.135 -6.579 -5.665
261 HH11 ARG 33 2HH1 ARG 33 12.662 -9.499 -5.093
262 HH12 ARG 33 1HH1 ARG 33 11.380 -10.267 -5.967
263 HH21 ARG 33 1HH2 ARG 33 9.511 -7.355 -6.300
264 HH22 ARG 33 2HH2 ARG 33 9.587 -9.047 -6.654
265 H CYS 34 HN CYS 34 11.213 -5.526 1.448
266 HA CYS 34 HA CYS 34 12.106 -2.694 1.615
267 HB2 CYS 34 2HB CYS 34 11.237 -4.651 3.763
268 HB3 CYS 34 1HB CYS 34 11.450 -2.913 3.962
Start of MODEL 7
1 H1 SER 1 1H SER 1 -5.398 9.870 -2.004
2 H2 SER 1 2H SER 1 -7.016 9.472 -1.675
3 H3 SER 1 3H SER 1 -6.607 10.236 -3.137
4 HA SER 1 HA SER 1 -7.021 7.864 -3.494
5 HB2 SER 1 2HB SER 1 -4.211 8.961 -3.760
6 HB3 SER 1 1HB SER 1 -4.748 7.490 -4.567
7 HG SER 1 HG SER 1 -5.543 8.769 -6.026
8 H CYS 2 H CYS 2 -7.229 6.101 -2.168
9 HA CYS 2 HA CYS 2 -5.748 5.609 0.219
10 HB2 CYS 2 2HB CYS 2 -7.976 4.616 -0.887
11 HB3 CYS 2 1HB CYS 2 -6.860 3.350 -1.403
12 H ALA 3 H ALA 3 -5.313 4.303 -3.087
13 HA ALA 3 HA ALA 3 -3.093 2.591 -2.498
14 HB1 ALA 3 3HB ALA 3 -3.905 4.065 -5.027
15 HB2 ALA 3 1HB ALA 3 -4.471 2.469 -4.533
16 HB3 ALA 3 2HB ALA 3 -2.779 2.710 -4.968
17 H SER 4 H SER 4 -3.270 6.052 -3.345
18 HA SER 4 HA SER 4 -0.429 6.426 -3.730
19 HB2 SER 4 2HB SER 4 -2.506 7.875 -4.378
20 HB3 SER 4 1HB SER 4 -2.353 8.533 -2.752
21 HG SER 4 HG SER 4 -1.166 9.689 -4.403
22 H ARG 5 H ARG 5 -2.574 6.698 -0.897
23 HA ARG 5 HA ARG 5 -0.592 7.797 0.901
24 HB2 ARG 5 2HB ARG 5 -3.122 7.799 1.143
25 HB3 ARG 5 1HB ARG 5 -3.017 6.085 1.543
26 HG2 ARG 5 2HG ARG 5 -2.140 6.487 3.615
27 HG3 ARG 5 1HG ARG 5 -1.198 7.870 3.061
28 HD2 ARG 5 2HD ARG 5 -2.778 9.284 3.854
29 HD3 ARG 5 1HD ARG 5 -4.008 8.499 2.844
30 HE ARG 5 HE ARG 5 -4.563 7.062 4.680
31 HH11 ARG 5 2HH1 ARG 5 -3.984 9.670 6.187
32 HH12 ARG 5 1HH1 ARG 5 -3.000 9.087 7.487
33 HH21 ARG 5 1HH2 ARG 5 -2.361 6.024 5.972
34 HH22 ARG 5 2HH2 ARG 5 -2.074 7.014 7.363
35 H CYS 6 H CYS 6 -1.659 4.489 0.136
36 HA CYS 6 HA CYS 6 -0.046 3.142 2.111
37 HB2 CYS 6 2HB CYS 6 -1.241 2.329 -0.552
38 HB3 CYS 6 1HB CYS 6 -0.506 1.186 0.573
39 H LYS 7 H LYS 7 0.545 4.176 -1.236
40 HA LYS 7 HA LYS 7 3.034 2.837 -1.680
41 HB2 LYS 7 2HB LYS 7 1.490 4.075 -3.303
42 HB3 LYS 7 1HB LYS 7 2.183 5.572 -2.682
43 HG2 LYS 7 2HG LYS 7 4.367 5.000 -3.459
44 HG3 LYS 7 1HG LYS 7 3.893 3.333 -3.782
45 HD2 LYS 7 2HD LYS 7 2.422 4.042 -5.582
46 HD3 LYS 7 1HD LYS 7 2.714 5.739 -5.201
47 HE2 LYS 7 2HE LYS 7 5.221 4.296 -5.617
48 HE3 LYS 7 1HE LYS 7 4.164 4.213 -7.040
49 HZ1 LYS 7 3HZ LYS 7 3.888 6.566 -7.014
50 HZ2 LYS 7 1HZ LYS 7 5.554 6.263 -6.929
51 HZ3 LYS 7 2HZ LYS 7 4.704 6.717 -5.530
52 H GLY 8 H GLY 8 2.254 6.037 -0.291
53 HA2 GLY 8 2HA GLY 8 4.945 6.911 0.125
54 HA3 GLY 8 1HA GLY 8 3.538 7.507 1.007
55 H HIS 9 H HIS 9 2.701 5.022 2.149
56 HA HIS 9 HA HIS 9 4.270 4.900 4.530
57 HB2 HIS 9 2HB HIS 9 1.880 4.185 4.185
58 HB3 HIS 9 1HB HIS 9 2.475 2.773 3.315
59 HD1 HIS 9 HD1 HIS 9 2.525 4.342 6.762
60 HD2 HIS 9 HD2 HIS 9 3.438 0.703 4.946
61 HE1 HIS 9 HE1 HIS 9 2.986 2.701 8.636
62 H CYS 10 H CYS 10 4.185 2.722 1.694
63 HA CYS 10 HA CYS 10 6.229 0.913 2.614
64 HB2 CYS 10 2HB CYS 10 4.401 0.883 0.675
65 HB3 CYS 10 1HB CYS 10 5.733 1.513 -0.287
66 H ARG 11 H ARG 11 6.312 3.857 0.596
67 HA ARG 11 HA ARG 11 9.117 3.755 -0.044
68 HB2 ARG 11 2HB ARG 11 6.828 5.383 -0.518
69 HB3 ARG 11 1HB ARG 11 8.074 6.436 0.144
70 HG2 ARG 11 2HG ARG 11 8.832 6.513 -1.999
71 HG3 ARG 11 1HG ARG 11 9.534 4.940 -1.621
72 HD2 ARG 11 2HD ARG 11 7.242 3.959 -2.359
73 HD3 ARG 11 1HD ARG 11 6.977 5.541 -3.118
74 HE ARG 11 HE ARG 11 9.156 3.637 -3.829
75 HH11 ARG 11 1HH2 ARG 11 10.036 6.511 -3.991
76 HH12 ARG 11 2HH2 ARG 11 9.646 6.913 -5.631
77 HH21 ARG 11 2HH1 ARG 11 7.545 4.175 -6.069
78 HH22 ARG 11 1HH1 ARG 11 8.231 5.581 -6.814
79 H ALA 12 H ALA 12 7.258 5.188 2.636
80 HA ALA 12 HA ALA 12 9.429 6.602 3.887
81 HB1 ALA 12 3HB ALA 12 7.049 7.024 4.326
82 HB2 ALA 12 1HB ALA 12 7.857 6.576 5.829
83 HB3 ALA 12 2HB ALA 12 6.863 5.395 4.977
84 H ARG 13 H ARG 13 8.311 3.242 4.051
85 HA ARG 13 HA ARG 13 10.128 2.587 6.280
86 HB2 ARG 13 2HB ARG 13 7.754 1.676 5.792
87 HB3 ARG 13 1HB ARG 13 8.532 0.688 4.555
88 HG2 ARG 13 2HG ARG 13 9.364 -0.739 6.094
89 HG3 ARG 13 1HG ARG 13 9.988 0.583 7.078
90 HD2 ARG 13 2HD ARG 13 8.392 -0.179 8.561
91 HD3 ARG 13 1HD ARG 13 7.324 0.845 7.583
92 HE ARG 13 HE ARG 13 6.397 -1.117 6.626
93 HH11 ARG 13 1HH2 ARG 13 6.999 -2.546 9.172
94 HH12 ARG 13 2HH2 ARG 13 7.905 -3.918 8.628
95 HH21 ARG 13 2HH1 ARG 13 8.598 -2.553 5.506
96 HH22 ARG 13 1HH1 ARG 13 8.817 -3.921 6.546
97 H ARG 14 H ARG 14 10.800 3.289 3.194
98 HA ARG 14 HA ARG 14 12.585 2.788 1.762
99 HB2 ARG 14 2HB ARG 14 13.517 2.506 4.259
100 HB3 ARG 14 1HB ARG 14 13.662 0.828 3.744
101 HG2 ARG 14 2HG ARG 14 14.637 2.853 1.806
102 HG3 ARG 14 1HG ARG 14 15.579 2.700 3.288
103 HD2 ARG 14 2HD ARG 14 16.612 1.017 2.092
104 HD3 ARG 14 1HD ARG 14 15.234 0.067 2.681
105 HE ARG 14 HE ARG 14 14.324 1.376 0.361
106 HH11 ARG 14 2HH1 ARG 14 14.381 -1.616 0.685
107 HH12 ARG 14 1HH1 ARG 14 15.453 -2.092 -0.590
108 HH21 ARG 14 1HH2 ARG 14 16.759 1.100 -1.038
109 HH22 ARG 14 2HH2 ARG 14 16.808 -0.548 -1.567
110 H CYS 15 H CYS 15 10.406 1.515 0.969
111 HA CYS 15 HA CYS 15 11.233 -1.329 0.512
112 HB2 CYS 15 2HB CYS 15 8.475 -0.089 0.719
113 HB3 CYS 15 1HB CYS 15 8.799 -1.788 0.406
114 H GLY 16 H GLY 16 11.140 -2.048 -1.627
115 HA2 GLY 16 2HA GLY 16 10.728 0.068 -3.669
116 HA3 GLY 16 1HA GLY 16 11.645 -1.414 -3.914
117 H TYR 17 H TYR 17 8.749 -2.138 -2.286
118 HA TYR 17 HA TYR 17 7.177 -2.444 -4.794
119 HB2 TYR 17 2HB TYR 17 8.861 -4.406 -4.009
120 HB3 TYR 17 1HB TYR 17 7.446 -4.843 -3.057
121 HD1 TYR 17 HD1 TYR 17 8.593 -4.083 -6.520
122 HD2 TYR 17 HD2 TYR 17 5.571 -5.890 -4.057
123 HE1 TYR 17 HE1 TYR 17 7.550 -5.085 -8.534
124 HE2 TYR 17 HE2 TYR 17 4.527 -6.890 -6.073
125 HH TYR 17 HH TYR 17 5.820 -7.453 -8.722
126 H TYR 18 H TYR 18 4.932 -2.513 -4.381
127 HA TYR 18 HA TYR 18 3.912 -3.003 -1.675
128 HB2 TYR 18 2HB TYR 18 3.411 -0.817 -1.086
129 HB3 TYR 18 1HB TYR 18 4.865 -0.533 -2.034
130 HD1 TYR 18 HD1 TYR 18 4.695 0.279 -4.385
131 HD2 TYR 18 HD2 TYR 18 1.237 -0.100 -1.860
132 HE1 TYR 18 HE1 TYR 18 3.402 1.720 -5.933
133 HE2 TYR 18 HE2 TYR 18 -0.050 1.341 -3.408
134 HH TYR 18 HH TYR 18 0.477 1.861 -6.297
135 H VAL 19 H VAL 19 1.620 -3.282 -1.670
136 HA VAL 19 HA VAL 19 0.350 -3.359 -4.388
137 HB VAL 19 HB VAL 19 -0.168 -5.105 -1.954
138 HG11 VAL 19 1HG1 VAL 19 -1.213 -6.565 -3.792
139 HG12 VAL 19 2HG1 VAL 19 -1.138 -5.131 -4.817
140 HG13 VAL 19 3HG1 VAL 19 -2.102 -5.110 -3.340
141 HG21 VAL 19 3HG2 VAL 19 1.631 -5.451 -4.354
142 HG22 VAL 19 1HG2 VAL 19 0.970 -6.849 -3.506
143 HG23 VAL 19 2HG2 VAL 19 2.009 -5.710 -2.652
144 H SER 20 H SER 20 -1.811 -2.590 -4.510
145 HA SER 20 HA SER 20 -3.163 -1.671 -2.044
146 HB2 SER 20 2HB SER 20 -3.263 0.654 -2.861
147 HB3 SER 20 1HB SER 20 -1.587 0.134 -2.697
148 HG SER 20 HG SER 20 -1.394 0.050 -4.844
149 H VAL 21 H VAL 21 -5.342 -1.925 -2.266
150 HA VAL 21 HA VAL 21 -6.624 -1.775 -4.947
151 HB VAL 21 HB VAL 21 -6.152 -4.229 -3.285
152 HG11 VAL 21 1HG1 VAL 21 -8.537 -4.227 -3.184
153 HG12 VAL 21 2HG1 VAL 21 -8.115 -5.307 -4.513
154 HG13 VAL 21 3HG1 VAL 21 -8.679 -3.671 -4.852
155 HG21 VAL 21 3HG2 VAL 21 -6.156 -5.209 -5.646
156 HG22 VAL 21 1HG2 VAL 21 -4.879 -4.043 -5.301
157 HG23 VAL 21 2HG2 VAL 21 -6.295 -3.551 -6.232
158 H LEU 22 H LEU 22 -8.627 -0.814 -4.714
159 HA LEU 22 HA LEU 22 -9.792 -0.642 -1.957
160 HB2 LEU 22 2HB LEU 22 -9.064 1.326 -3.697
161 HB3 LEU 22 1HB LEU 22 -10.746 1.095 -4.170
162 HG LEU 22 HG LEU 22 -9.934 1.418 -1.277
163 HD11 LEU 22 1HD1 LEU 22 -10.689 3.559 -3.288
164 HD12 LEU 22 2HD1 LEU 22 -9.156 3.417 -2.428
165 HD13 LEU 22 3HD1 LEU 22 -10.630 3.811 -1.543
166 HD21 LEU 22 3HD2 LEU 22 -12.365 2.300 -1.257
167 HD22 LEU 22 1HD2 LEU 22 -12.138 0.563 -1.462
168 HD23 LEU 22 2HD2 LEU 22 -12.504 1.576 -2.860
169 H TYR 23 H TYR 23 -11.660 -1.787 -1.623
170 HA TYR 23 HA TYR 23 -13.460 -2.339 -3.945
171 HB2 TYR 23 2HB TYR 23 -12.219 -4.315 -3.914
172 HB3 TYR 23 1HB TYR 23 -11.961 -4.234 -2.174
173 HD1 TYR 23 HD2 TYR 23 -14.888 -4.406 -4.538
174 HD2 TYR 23 HD1 TYR 23 -13.082 -5.816 -0.904
175 HE1 TYR 23 HE2 TYR 23 -16.820 -5.913 -4.162
176 HE2 TYR 23 HE1 TYR 23 -15.014 -7.324 -0.529
177 HH TYR 23 HH TYR 23 -17.859 -7.016 -1.825
178 H ARG 24 H ARG 24 -15.535 -1.893 -3.386
179 HA ARG 24 HA ARG 24 -17.451 -1.440 -2.103
180 HB2 ARG 24 2HB ARG 24 -16.658 -3.955 -1.736
181 HB3 ARG 24 1HB ARG 24 -16.428 -3.391 -0.083
182 HG2 ARG 24 2HG ARG 24 -18.830 -2.406 -0.331
183 HG3 ARG 24 1HG ARG 24 -18.969 -3.523 -1.691
184 HD2 ARG 24 2HD ARG 24 -18.487 -5.428 -0.252
185 HD3 ARG 24 1HD ARG 24 -18.170 -4.351 1.123
186 HE ARG 24 HE ARG 24 -20.546 -3.691 1.069
187 HH11 ARG 24 2HH1 ARG 24 -20.422 -6.756 1.254
188 HH12 ARG 24 1HH1 ARG 24 -21.648 -7.199 0.114
189 HH21 ARG 24 1HH2 ARG 24 -21.775 -4.056 -1.366
190 HH22 ARG 24 2HH2 ARG 24 -22.418 -5.664 -1.376
191 H GLY 25 H GLY 25 -14.879 0.060 -1.414
192 HA2 GLY 25 2HA GLY 25 -14.621 1.902 0.084
193 HA3 GLY 25 1HA GLY 25 -15.880 1.213 1.107
194 H ARG 26 H ARG 26 -13.550 -1.102 0.174
195 HA ARG 26 HA ARG 26 -12.235 -0.890 2.853
196 HB2 ARG 26 2HB ARG 26 -13.705 -2.890 2.205
197 HB3 ARG 26 1HB ARG 26 -12.454 -3.304 1.033
198 HG2 ARG 26 2HG ARG 26 -11.207 -4.255 2.646
199 HG3 ARG 26 1HG ARG 26 -11.214 -2.754 3.571
200 HD2 ARG 26 2HD ARG 26 -12.411 -3.950 5.110
201 HD3 ARG 26 1HD ARG 26 -13.776 -3.725 3.999
202 HE ARG 26 HE ARG 26 -11.928 -6.041 3.601
203 HH11 ARG 26 2HH1 ARG 26 -14.001 -6.415 5.776
204 HH12 ARG 26 1HH1 ARG 26 -15.299 -7.151 4.898
205 HH21 ARG 26 1HH2 ARG 26 -14.044 -6.241 1.781
206 HH22 ARG 26 2HH2 ARG 26 -15.327 -7.049 2.622
207 H CYS 27 H CYS 27 -9.993 -0.681 2.868
208 HA CYS 27 HA CYS 27 -8.665 -0.543 0.204
209 HB2 CYS 27 2HB CYS 27 -8.815 1.330 2.067
210 HB3 CYS 27 1HB CYS 27 -7.465 0.441 2.771
211 H TYR 28 H TYR 28 -7.322 -2.148 -0.342
212 HA TYR 28 HA TYR 28 -6.206 -3.964 1.755
213 HB2 TYR 28 2HB TYR 28 -6.753 -4.228 -1.220
214 HB3 TYR 28 1HB TYR 28 -5.923 -5.465 -0.282
215 HD1 TYR 28 HD1 TYR 28 -9.140 -3.653 -0.706
216 HD2 TYR 28 HD2 TYR 28 -7.114 -6.925 1.198
217 HE1 TYR 28 HE1 TYR 28 -11.323 -4.592 0.003
218 HE2 TYR 28 HE2 TYR 28 -9.296 -7.863 1.911
219 HH TYR 28 HH TYR 28 -11.844 -7.588 0.859
220 H CYS 29 H CYS 29 -4.281 -2.808 2.281
221 HA CYS 29 HA CYS 29 -2.473 -2.124 -0.004
222 HB2 CYS 29 2HB CYS 29 -2.892 -1.033 2.778
223 HB3 CYS 29 1HB CYS 29 -1.447 -0.640 1.846
224 H LYS 30 H LYS 30 -0.263 -2.685 0.132
225 HA LYS 30 HA LYS 30 0.679 -4.360 2.391
226 HB2 LYS 30 2HB LYS 30 -0.386 -5.391 -0.040
227 HB3 LYS 30 1HB LYS 30 1.359 -5.647 -0.097
228 HG2 LYS 30 2HG LYS 30 0.989 -6.446 2.406
229 HG3 LYS 30 1HG LYS 30 -0.655 -6.734 1.836
230 HD2 LYS 30 2HD LYS 30 0.116 -8.219 0.108
231 HD3 LYS 30 1HD LYS 30 1.800 -7.780 0.403
232 HE2 LYS 30 2HE LYS 30 1.642 -8.760 2.689
233 HE3 LYS 30 1HE LYS 30 -0.026 -9.254 2.339
234 HZ1 LYS 30 3HZ LYS 30 1.540 -11.038 1.829
235 HZ2 LYS 30 1HZ LYS 30 2.370 -10.023 0.753
236 HZ3 LYS 30 2HZ LYS 30 0.770 -10.486 0.418
237 H CYS 31 H CYS 31 2.999 -4.536 2.415
238 HA CYS 31 HA CYS 31 4.484 -2.783 0.479
239 HB2 CYS 31 2HB CYS 31 3.907 -1.680 2.669
240 HB3 CYS 31 1HB CYS 31 4.812 -2.947 3.485
241 H LEU 32 H LEU 32 6.243 -3.862 -0.358
242 HA LEU 32 HA LEU 32 7.467 -6.083 1.226
243 HB2 LEU 32 2HB LEU 32 6.610 -6.146 -1.687
244 HB3 LEU 32 1HB LEU 32 7.442 -7.449 -0.848
245 HG LEU 32 HG LEU 32 5.288 -6.895 0.818
246 HD11 LEU 32 1HD1 LEU 32 4.313 -6.911 -2.052
247 HD12 LEU 32 2HD1 LEU 32 4.373 -5.466 -1.042
248 HD13 LEU 32 3HD1 LEU 32 3.324 -6.810 -0.595
249 HD21 LEU 32 3HD2 LEU 32 5.181 -8.938 -1.403
250 HD22 LEU 32 1HD2 LEU 32 4.587 -9.086 0.251
251 HD23 LEU 32 2HD2 LEU 32 6.321 -9.099 -0.068
252 H ARG 33 H ARG 33 9.499 -6.885 -0.179
253 HA ARG 33 HA ARG 33 11.692 -6.360 -0.860
254 HB2 ARG 33 2HB ARG 33 10.127 -4.238 -2.374
255 HB3 ARG 33 1HB ARG 33 11.755 -4.782 -2.769
256 HG2 ARG 33 2HG ARG 33 9.327 -6.596 -2.698
257 HG3 ARG 33 1HG ARG 33 9.973 -5.866 -4.165
258 HD2 ARG 33 2HD ARG 33 12.248 -6.978 -3.189
259 HD3 ARG 33 1HD ARG 33 11.050 -8.124 -2.556
260 HE ARG 33 HE ARG 33 10.157 -7.898 -5.085
261 HH11 ARG 33 1HH2 ARG 33 12.924 -6.692 -5.698
262 HH12 ARG 33 2HH2 ARG 33 13.755 -8.086 -6.304
263 HH21 ARG 33 2HH1 ARG 33 11.411 -10.340 -5.074
264 HH22 ARG 33 1HH1 ARG 33 12.894 -10.159 -5.949
265 H CYS 34 HN CYS 34 11.297 -5.400 1.647
266 HA CYS 34 HA CYS 34 12.079 -2.529 1.663
267 HB2 CYS 34 2HB CYS 34 11.250 -4.424 3.883
268 HB3 CYS 34 1HB CYS 34 11.470 -2.683 4.047
Start of MODEL 8
1 H1 SER 1 1H SER 1 -5.743 7.205 -4.692
2 H2 SER 1 2H SER 1 -7.019 8.293 -4.965
3 H3 SER 1 3H SER 1 -7.288 6.866 -4.082
4 HA SER 1 HA SER 1 -5.584 9.157 -3.229
5 HB2 SER 1 2HB SER 1 -8.229 9.148 -3.321
6 HB3 SER 1 1HB SER 1 -8.076 8.134 -1.890
7 HG SER 1 HG SER 1 -8.174 10.529 -1.621
8 H CYS 2 H CYS 2 -7.259 6.235 -1.958
9 HA CYS 2 HA CYS 2 -5.590 5.856 0.315
10 HB2 CYS 2 2HB CYS 2 -7.867 4.798 -0.498
11 HB3 CYS 2 1HB CYS 2 -6.820 3.572 -1.211
12 H ALA 3 H ALA 3 -5.322 4.521 -2.990
13 HA ALA 3 HA ALA 3 -3.100 2.787 -2.551
14 HB1 ALA 3 3HB ALA 3 -2.796 3.314 -5.092
15 HB2 ALA 3 1HB ALA 3 -4.246 4.300 -4.898
16 HB3 ALA 3 2HB ALA 3 -4.306 2.568 -4.570
17 H SER 4 H SER 4 -3.216 6.253 -3.423
18 HA SER 4 HA SER 4 -0.394 6.617 -3.805
19 HB2 SER 4 2HB SER 4 -2.558 8.538 -2.888
20 HB3 SER 4 1HB SER 4 -0.991 9.008 -3.540
21 HG SER 4 HG SER 4 -2.450 9.025 -5.217
22 H ARG 5 H ARG 5 -2.475 6.867 -0.927
23 HA ARG 5 HA ARG 5 -0.467 7.898 0.868
24 HB2 ARG 5 2HB ARG 5 -2.978 7.890 1.166
25 HB3 ARG 5 1HB ARG 5 -2.884 6.155 1.462
26 HG2 ARG 5 2HG ARG 5 -2.158 6.458 3.581
27 HG3 ARG 5 1HG ARG 5 -0.973 7.665 3.084
28 HD2 ARG 5 2HD ARG 5 -3.715 8.674 2.861
29 HD3 ARG 5 1HD ARG 5 -3.302 8.196 4.518
30 HE ARG 5 HE ARG 5 -1.664 9.915 4.562
31 HH11 ARG 5 1HH2 ARG 5 -3.434 11.428 2.674
32 HH12 ARG 5 2HH2 ARG 5 -2.343 11.829 1.389
33 HH21 ARG 5 2HH1 ARG 5 0.050 9.498 2.347
34 HH22 ARG 5 1HH1 ARG 5 -0.360 10.733 1.205
35 H CYS 6 H CYS 6 -1.543 4.608 0.040
36 HA CYS 6 HA CYS 6 0.093 3.189 1.929
37 HB2 CYS 6 2HB CYS 6 -1.086 2.491 -0.773
38 HB3 CYS 6 1HB CYS 6 -0.343 1.303 0.297
39 H LYS 7 H LYS 7 0.688 4.307 -1.403
40 HA LYS 7 HA LYS 7 3.188 2.988 -1.841
41 HB2 LYS 7 2HB LYS 7 1.632 4.257 -3.452
42 HB3 LYS 7 1HB LYS 7 2.377 5.733 -2.839
43 HG2 LYS 7 2HG LYS 7 4.502 5.160 -3.689
44 HG3 LYS 7 1HG LYS 7 4.071 3.459 -3.870
45 HD2 LYS 7 2HD LYS 7 3.910 4.193 -6.074
46 HD3 LYS 7 1HD LYS 7 2.248 4.401 -5.524
47 HE2 LYS 7 2HE LYS 7 2.424 6.580 -6.142
48 HE3 LYS 7 1HE LYS 7 3.563 6.791 -4.798
49 HZ1 LYS 7 3HZ LYS 7 4.543 7.372 -6.972
50 HZ2 LYS 7 1HZ LYS 7 4.303 5.777 -7.495
51 HZ3 LYS 7 2HZ LYS 7 5.365 6.097 -6.208
52 H GLY 8 H GLY 8 2.396 6.174 -0.428
53 HA2 GLY 8 2HA GLY 8 5.103 7.017 0.005
54 HA3 GLY 8 1HA GLY 8 3.694 7.649 0.854
55 H HIS 9 H HIS 9 2.805 5.156 1.987
56 HA HIS 9 HA HIS 9 4.351 5.060 4.394
57 HB2 HIS 9 2HB HIS 9 1.901 4.381 3.855
58 HB3 HIS 9 1HB HIS 9 2.590 2.836 3.355
59 HD1 HIS 9 HD1 HIS 9 1.298 4.490 6.269
60 HD2 HIS 9 HD2 HIS 9 4.361 1.744 5.589
61 HE1 HIS 9 HE1 HIS 9 1.823 3.431 8.510
62 H CYS 10 H CYS 10 4.239 2.854 1.570
63 HA CYS 10 HA CYS 10 6.171 0.966 2.562
64 HB2 CYS 10 2HB CYS 10 4.422 1.036 0.537
65 HB3 CYS 10 1HB CYS 10 5.843 1.559 -0.358
66 H ARG 11 H ARG 11 6.467 3.923 0.576
67 HA ARG 11 HA ARG 11 9.288 3.679 0.036
68 HB2 ARG 11 2HB ARG 11 7.145 5.376 -0.599
69 HB3 ARG 11 1HB ARG 11 8.273 6.404 0.279
70 HG2 ARG 11 2HG ARG 11 9.083 4.611 -2.026
71 HG3 ARG 11 1HG ARG 11 8.684 6.319 -2.208
72 HD2 ARG 11 2HD ARG 11 10.513 6.275 -0.082
73 HD3 ARG 11 1HD ARG 11 11.164 5.114 -1.256
74 HE ARG 11 HE ARG 11 11.003 6.904 -2.979
75 HH11 ARG 11 2HH1 ARG 11 9.116 8.763 -1.666
76 HH12 ARG 11 1HH1 ARG 11 10.157 9.992 -1.033
77 HH21 ARG 11 1HH2 ARG 11 13.033 8.057 -1.299
78 HH22 ARG 11 2HH2 ARG 11 12.387 9.593 -0.829
79 H ALA 12 H ALA 12 7.405 5.229 2.632
80 HA ALA 12 HA ALA 12 9.635 6.430 4.012
81 HB1 ALA 12 3HB ALA 12 7.974 6.685 5.803
82 HB2 ALA 12 1HB ALA 12 6.938 5.481 5.037
83 HB3 ALA 12 2HB ALA 12 7.220 7.032 4.247
84 H ARG 13 H ARG 13 8.282 3.189 3.940
85 HA ARG 13 HA ARG 13 9.752 2.306 6.344
86 HB2 ARG 13 2HB ARG 13 7.900 1.026 4.317
87 HB3 ARG 13 1HB ARG 13 8.672 0.098 5.602
88 HG2 ARG 13 2HG ARG 13 7.045 2.586 6.163
89 HG3 ARG 13 1HG ARG 13 6.321 0.979 6.102
90 HD2 ARG 13 2HD ARG 13 6.876 0.838 8.311
91 HD3 ARG 13 1HD ARG 13 8.541 0.606 7.743
92 HE ARG 13 HE ARG 13 9.007 2.806 8.461
93 HH11 ARG 13 2HH1 ARG 13 6.252 2.446 9.956
94 HH12 ARG 13 1HH1 ARG 13 5.538 3.985 9.604
95 HH21 ARG 13 1HH2 ARG 13 7.831 4.771 7.112
96 HH22 ARG 13 2HH2 ARG 13 6.434 5.305 7.985
97 H ARG 14 H ARG 14 10.803 3.049 3.343
98 HA ARG 14 HA ARG 14 12.683 2.435 2.079
99 HB2 ARG 14 2HB ARG 14 13.565 2.253 4.473
100 HB3 ARG 14 1HB ARG 14 13.254 0.521 4.360
101 HG2 ARG 14 2HG ARG 14 15.499 0.674 3.698
102 HG3 ARG 14 1HG ARG 14 14.647 0.658 2.155
103 HD2 ARG 14 2HD ARG 14 15.043 3.343 3.387
104 HD3 ARG 14 1HD ARG 14 16.496 2.540 2.761
105 HE ARG 14 HE ARG 14 14.417 2.221 0.835
106 HH11 ARG 14 1HH2 ARG 14 17.147 3.247 0.179
107 HH12 ARG 14 2HH2 ARG 14 16.823 4.881 -0.294
108 HH21 ARG 14 2HH1 ARG 14 13.651 4.942 1.130
109 HH22 ARG 14 1HH1 ARG 14 14.837 5.847 0.249
110 H CYS 15 H CYS 15 10.460 1.314 1.126
111 HA CYS 15 HA CYS 15 11.159 -1.556 0.636
112 HB2 CYS 15 2HB CYS 15 8.459 -0.196 0.843
113 HB3 CYS 15 1HB CYS 15 8.701 -1.899 0.481
114 H GLY 16 H GLY 16 11.004 -2.247 -1.521
115 HA2 GLY 16 2HA GLY 16 10.752 -0.072 -3.529
116 HA3 GLY 16 1HA GLY 16 11.592 -1.597 -3.787
117 H TYR 17 H TYR 17 8.764 -2.435 -2.233
118 HA TYR 17 HA TYR 17 7.171 -2.519 -4.765
119 HB2 TYR 17 2HB TYR 17 8.716 -4.592 -3.907
120 HB3 TYR 17 1HB TYR 17 7.203 -4.957 -3.080
121 HD1 TYR 17 HD1 TYR 17 8.444 -3.873 -6.455
122 HD2 TYR 17 HD2 TYR 17 5.578 -6.168 -4.227
123 HE1 TYR 17 HE1 TYR 17 7.498 -4.747 -8.573
124 HE2 TYR 17 HE2 TYR 17 4.630 -7.041 -6.346
125 HH TYR 17 HH TYR 17 5.913 -7.267 -8.976
126 H TYR 18 H TYR 18 4.930 -2.418 -4.413
127 HA TYR 18 HA TYR 18 3.826 -2.871 -1.723
128 HB2 TYR 18 2HB TYR 18 3.417 -0.667 -1.167
129 HB3 TYR 18 1HB TYR 18 4.864 -0.428 -2.139
130 HD1 TYR 18 HD1 TYR 18 4.700 0.416 -4.461
131 HD2 TYR 18 HD2 TYR 18 1.222 0.014 -1.963
132 HE1 TYR 18 HE1 TYR 18 3.412 1.861 -6.011
133 HE2 TYR 18 HE2 TYR 18 -0.060 1.458 -3.514
134 HH TYR 18 HH TYR 18 0.423 1.984 -6.349
135 H VAL 19 H VAL 19 1.556 -3.157 -1.781
136 HA VAL 19 HA VAL 19 0.319 -3.162 -4.518
137 HB VAL 19 HB VAL 19 -0.237 -4.971 -2.138
138 HG11 VAL 19 1HG1 VAL 19 -1.299 -6.367 -4.001
139 HG12 VAL 19 2HG1 VAL 19 -1.176 -4.928 -5.013
140 HG13 VAL 19 3HG1 VAL 19 -2.160 -4.897 -3.549
141 HG21 VAL 19 3HG2 VAL 19 0.904 -6.689 -3.688
142 HG22 VAL 19 1HG2 VAL 19 1.957 -5.539 -2.863
143 HG23 VAL 19 2HG2 VAL 19 1.545 -5.296 -4.560
144 H SER 20 H SER 20 -1.855 -2.403 -4.633
145 HA SER 20 HA SER 20 -3.181 -1.484 -2.147
146 HB2 SER 20 2HB SER 20 -3.288 0.836 -2.992
147 HB3 SER 20 1HB SER 20 -1.613 0.309 -2.823
148 HG SER 20 HG SER 20 -2.070 1.345 -4.847
149 H VAL 21 H VAL 21 -5.377 -1.644 -2.335
150 HA VAL 21 HA VAL 21 -6.688 -1.544 -4.997
151 HB VAL 21 HB VAL 21 -6.192 -3.968 -3.318
152 HG11 VAL 21 1HG1 VAL 21 -8.270 -5.028 -4.386
153 HG12 VAL 21 2HG1 VAL 21 -8.834 -3.381 -4.670
154 HG13 VAL 21 3HG1 VAL 21 -8.553 -3.946 -3.023
155 HG21 VAL 21 3HG2 VAL 21 -6.477 -4.969 -5.689
156 HG22 VAL 21 1HG2 VAL 21 -5.081 -3.930 -5.404
157 HG23 VAL 21 2HG2 VAL 21 -6.494 -3.296 -6.246
158 H LEU 22 H LEU 22 -8.614 -0.458 -4.735
159 HA LEU 22 HA LEU 22 -9.762 -0.273 -1.972
160 HB2 LEU 22 2HB LEU 22 -8.925 1.719 -3.579
161 HB3 LEU 22 1HB LEU 22 -10.566 1.548 -4.203
162 HG LEU 22 HG LEU 22 -9.991 1.779 -1.244
163 HD11 LEU 22 1HD1 LEU 22 -9.104 3.775 -2.451
164 HD12 LEU 22 2HD1 LEU 22 -10.482 4.166 -1.421
165 HD13 LEU 22 3HD1 LEU 22 -10.698 4.018 -3.165
166 HD21 LEU 22 3HD2 LEU 22 -12.191 0.911 -1.795
167 HD22 LEU 22 1HD2 LEU 22 -12.443 2.189 -2.984
168 HD23 LEU 22 2HD2 LEU 22 -12.379 2.583 -1.266
169 H TYR 23 H TYR 23 -11.377 -1.791 -1.793
170 HA TYR 23 HA TYR 23 -13.533 -1.802 -3.848
171 HB2 TYR 23 2HB TYR 23 -11.724 -3.510 -4.364
172 HB3 TYR 23 1HB TYR 23 -12.154 -4.300 -2.847
173 HD1 TYR 23 HD1 TYR 23 -13.600 -3.142 -6.095
174 HD2 TYR 23 HD2 TYR 23 -13.964 -5.800 -2.740
175 HE1 TYR 23 HE1 TYR 23 -15.477 -4.307 -7.221
176 HE2 TYR 23 HE2 TYR 23 -15.840 -6.964 -3.865
177 HH TYR 23 HH TYR 23 -17.646 -6.023 -5.876
178 H ARG 24 H ARG 24 -15.523 -2.769 -3.030
179 HA ARG 24 HA ARG 24 -17.167 -3.066 -1.376
180 HB2 ARG 24 2HB ARG 24 -15.372 -5.019 -1.243
181 HB3 ARG 24 1HB ARG 24 -15.039 -4.300 0.332
182 HG2 ARG 24 2HG ARG 24 -17.675 -4.359 0.563
183 HG3 ARG 24 1HG ARG 24 -17.540 -5.628 -0.656
184 HD2 ARG 24 2HD ARG 24 -15.698 -6.620 0.917
185 HD3 ARG 24 1HD ARG 24 -16.448 -5.594 2.156
186 HE ARG 24 HE ARG 24 -17.882 -7.731 0.628
187 HH11 ARG 24 2HH1 ARG 24 -19.384 -5.261 1.772
188 HH12 ARG 24 1HH1 ARG 24 -20.000 -5.934 3.246
189 HH21 ARG 24 1HH2 ARG 24 -17.907 -8.709 3.158
190 HH22 ARG 24 2HH2 ARG 24 -19.160 -7.893 4.033
191 H GLY 25 H GLY 25 -15.520 -0.573 -1.237
192 HA2 GLY 25 2HA GLY 25 -15.327 1.270 0.205
193 HA3 GLY 25 1HA GLY 25 -16.465 0.445 1.273
194 H ARG 26 H ARG 26 -13.403 -0.962 0.249
195 HA ARG 26 HA ARG 26 -12.247 -0.471 2.954
196 HB2 ARG 26 2HB ARG 26 -13.520 -2.679 2.702
197 HB3 ARG 26 1HB ARG 26 -12.275 -3.152 1.546
198 HG2 ARG 26 2HG ARG 26 -11.643 -4.018 3.719
199 HG3 ARG 26 1HG ARG 26 -10.550 -2.691 3.323
200 HD2 ARG 26 2HD ARG 26 -11.823 -1.157 4.739
201 HD3 ARG 26 1HD ARG 26 -13.030 -2.417 5.063
202 HE ARG 26 HE ARG 26 -10.178 -2.533 5.959
203 HH11 ARG 26 1HH2 ARG 26 -12.450 -2.183 7.910
204 HH12 ARG 26 2HH2 ARG 26 -12.692 -3.804 8.470
205 HH21 ARG 26 2HH1 ARG 26 -10.912 -5.251 5.859
206 HH22 ARG 26 1HH1 ARG 26 -11.817 -5.547 7.304
207 H CYS 27 H CYS 27 -9.947 -0.486 2.963
208 HA CYS 27 HA CYS 27 -8.714 -0.288 0.254
209 HB2 CYS 27 2HB CYS 27 -8.783 1.607 2.036
210 HB3 CYS 27 1HB CYS 27 -7.534 0.672 2.859
211 H TYR 28 H TYR 28 -7.442 -1.950 -0.340
212 HA TYR 28 HA TYR 28 -6.263 -3.745 1.738
213 HB2 TYR 28 2HB TYR 28 -6.797 -4.131 -1.231
214 HB3 TYR 28 1HB TYR 28 -6.219 -5.376 -0.128
215 HD1 TYR 28 HD2 TYR 28 -7.691 -6.334 1.584
216 HD2 TYR 28 HD1 TYR 28 -9.117 -3.352 -1.155
217 HE1 TYR 28 HE2 TYR 28 -10.029 -6.858 2.228
218 HE2 TYR 28 HE1 TYR 28 -11.451 -3.874 -0.513
219 HH TYR 28 HH TYR 28 -12.374 -5.240 2.087
220 H CYS 29 H CYS 29 -4.261 -2.745 2.168
221 HA CYS 29 HA CYS 29 -2.525 -2.137 -0.198
222 HB2 CYS 29 2HB CYS 29 -2.907 -0.908 2.520
223 HB3 CYS 29 1HB CYS 29 -1.397 -0.659 1.644
224 H LYS 30 H LYS 30 -0.279 -2.664 -0.024
225 HA LYS 30 HA LYS 30 0.603 -4.393 2.221
226 HB2 LYS 30 2HB LYS 30 -0.547 -5.753 0.405
227 HB3 LYS 30 1HB LYS 30 0.736 -5.239 -0.688
228 HG2 LYS 30 2HG LYS 30 1.915 -7.013 0.051
229 HG3 LYS 30 1HG LYS 30 2.109 -6.129 1.564
230 HD2 LYS 30 2HD LYS 30 -0.442 -7.627 1.173
231 HD3 LYS 30 1HD LYS 30 1.013 -8.572 1.490
232 HE2 LYS 30 2HE LYS 30 1.374 -6.788 3.424
233 HE3 LYS 30 1HE LYS 30 -0.383 -6.597 3.270
234 HZ1 LYS 30 3HZ LYS 30 -0.617 -9.007 3.426
235 HZ2 LYS 30 1HZ LYS 30 0.143 -8.385 4.808
236 HZ3 LYS 30 2HZ LYS 30 1.064 -9.174 3.618
237 H CYS 31 H CYS 31 2.907 -4.497 2.359
238 HA CYS 31 HA CYS 31 4.452 -2.765 0.456
239 HB2 CYS 31 2HB CYS 31 3.785 -1.653 2.632
240 HB3 CYS 31 1HB CYS 31 4.711 -2.890 3.470
241 H LEU 32 H LEU 32 6.206 -3.884 -0.327
242 HA LEU 32 HA LEU 32 7.434 -6.031 1.344
243 HB2 LEU 32 2HB LEU 32 6.275 -6.188 -1.440
244 HB3 LEU 32 1HB LEU 32 7.494 -7.340 -0.900
245 HG LEU 32 HG LEU 32 4.989 -6.806 0.706
246 HD11 LEU 32 1HD1 LEU 32 3.882 -7.695 -1.080
247 HD12 LEU 32 2HD1 LEU 32 4.527 -9.217 -0.466
248 HD13 LEU 32 3HD1 LEU 32 5.350 -8.377 -1.780
249 HD21 LEU 32 3HD2 LEU 32 7.112 -8.960 0.620
250 HD22 LEU 32 1HD2 LEU 32 5.562 -9.209 1.424
251 HD23 LEU 32 2HD2 LEU 32 6.652 -7.939 1.982
252 H ARG 33 H ARG 33 9.429 -6.903 -0.169
253 HA ARG 33 HA ARG 33 11.597 -6.389 -0.941
254 HB2 ARG 33 2HB ARG 33 9.822 -4.349 -2.302
255 HB3 ARG 33 1HB ARG 33 11.548 -4.441 -2.639
256 HG2 ARG 33 2HG ARG 33 9.740 -6.855 -2.827
257 HG3 ARG 33 1HG ARG 33 10.011 -5.779 -4.196
258 HD2 ARG 33 2HD ARG 33 12.528 -6.151 -3.804
259 HD3 ARG 33 1HD ARG 33 12.045 -7.501 -2.757
260 HE ARG 33 HE ARG 33 11.012 -8.577 -4.686
261 HH11 ARG 33 1HH2 ARG 33 13.783 -7.660 -5.666
262 HH12 ARG 33 2HH2 ARG 33 13.377 -7.019 -7.223
263 HH21 ARG 33 2HH1 ARG 33 9.967 -6.865 -6.561
264 HH22 ARG 33 1HH1 ARG 33 11.208 -6.570 -7.732
265 H CYS 34 HN CYS 34 11.161 -5.516 1.648
266 HA CYS 34 HA CYS 34 12.099 -2.700 1.783
267 HB2 CYS 34 2HB CYS 34 11.194 -4.608 3.961
268 HB3 CYS 34 1HB CYS 34 11.399 -2.865 4.118
Start of MODEL 9
1 H1 SER 1 1H SER 1 -6.902 8.290 -5.062
2 H2 SER 1 2H SER 1 -7.211 6.870 -4.181
3 H3 SER 1 3H SER 1 -5.644 7.195 -4.751
4 HA SER 1 HA SER 1 -5.521 9.158 -3.290
5 HB2 SER 1 2HB SER 1 -8.142 9.191 -3.440
6 HB3 SER 1 1HB SER 1 -8.062 8.112 -2.052
7 HG SER 1 HG SER 1 -8.138 10.492 -1.676
8 H CYS 2 H CYS 2 -7.211 6.222 -2.068
9 HA CYS 2 HA CYS 2 -5.592 5.857 0.245
10 HB2 CYS 2 2HB CYS 2 -7.850 4.792 -0.622
11 HB3 CYS 2 1HB CYS 2 -6.779 3.560 -1.291
12 H ALA 3 H ALA 3 -5.243 4.523 -3.056
13 HA ALA 3 HA ALA 3 -3.026 2.795 -2.548
14 HB1 ALA 3 3HB ALA 3 -4.563 2.986 -4.586
15 HB2 ALA 3 1HB ALA 3 -2.851 2.756 -4.941
16 HB3 ALA 3 2HB ALA 3 -3.574 4.358 -5.085
17 H SER 4 H SER 4 -3.145 6.254 -3.442
18 HA SER 4 HA SER 4 -0.323 6.634 -3.787
19 HB2 SER 4 2HB SER 4 -2.513 8.538 -2.896
20 HB3 SER 4 1HB SER 4 -0.938 9.024 -3.513
21 HG SER 4 HG SER 4 -2.404 9.041 -5.202
22 H ARG 5 H ARG 5 -2.443 6.895 -0.931
23 HA ARG 5 HA ARG 5 -0.442 7.912 0.882
24 HB2 ARG 5 2HB ARG 5 -2.945 7.950 1.173
25 HB3 ARG 5 1HB ARG 5 -2.895 6.209 1.445
26 HG2 ARG 5 2HG ARG 5 -2.667 6.790 3.636
27 HG3 ARG 5 1HG ARG 5 -0.981 7.069 3.201
28 HD2 ARG 5 2HD ARG 5 -1.929 9.463 2.480
29 HD3 ARG 5 1HD ARG 5 -3.162 9.060 3.693
30 HE ARG 5 HE ARG 5 -0.251 9.347 4.221
31 HH11 ARG 5 2HH1 ARG 5 -2.292 10.907 5.733
32 HH12 ARG 5 1HH1 ARG 5 -2.426 10.015 7.211
33 HH21 ARG 5 1HH2 ARG 5 -0.904 7.164 5.932
34 HH22 ARG 5 2HH2 ARG 5 -1.635 7.887 7.325
35 H CYS 6 H CYS 6 -1.549 4.635 0.048
36 HA CYS 6 HA CYS 6 0.051 3.200 1.959
37 HB2 CYS 6 2HB CYS 6 -1.135 2.517 -0.742
38 HB3 CYS 6 1HB CYS 6 -0.390 1.319 0.317
39 H LYS 7 H LYS 7 0.676 4.308 -1.366
40 HA LYS 7 HA LYS 7 3.163 2.972 -1.808
41 HB2 LYS 7 2HB LYS 7 1.646 4.250 -3.424
42 HB3 LYS 7 1HB LYS 7 2.346 5.731 -2.770
43 HG2 LYS 7 2HG LYS 7 4.544 5.133 -3.519
44 HG3 LYS 7 1HG LYS 7 4.035 3.489 -3.907
45 HD2 LYS 7 2HD LYS 7 4.001 4.488 -6.014
46 HD3 LYS 7 1HD LYS 7 2.326 4.695 -5.501
47 HE2 LYS 7 2HE LYS 7 3.452 6.952 -4.439
48 HE3 LYS 7 1HE LYS 7 4.432 6.742 -5.904
49 HZ1 LYS 7 3HZ LYS 7 2.377 7.973 -6.365
50 HZ2 LYS 7 1HZ LYS 7 1.458 6.662 -5.804
51 HZ3 LYS 7 2HZ LYS 7 2.414 6.492 -7.198
52 H GLY 8 H GLY 8 2.397 6.146 -0.356
53 HA2 GLY 8 2HA GLY 8 5.114 6.953 0.104
54 HA3 GLY 8 1HA GLY 8 3.703 7.598 0.944
55 H HIS 9 H HIS 9 2.762 5.120 2.040
56 HA HIS 9 HA HIS 9 4.258 4.964 4.474
57 HB2 HIS 9 2HB HIS 9 1.813 4.139 3.510
58 HB3 HIS 9 1HB HIS 9 2.664 2.605 3.685
59 HD1 HIS 9 HD1 HIS 9 2.199 5.773 5.783
60 HD2 HIS 9 HD2 HIS 9 2.459 1.637 6.253
61 HE1 HIS 9 HE1 HIS 9 1.878 5.310 8.253
62 H CYS 10 H CYS 10 4.243 2.870 1.576
63 HA CYS 10 HA CYS 10 6.137 0.936 2.617
64 HB2 CYS 10 2HB CYS 10 4.392 0.987 0.590
65 HB3 CYS 10 1HB CYS 10 5.807 1.525 -0.307
66 H ARG 11 H ARG 11 6.400 3.867 0.604
67 HA ARG 11 HA ARG 11 9.214 3.699 0.048
68 HB2 ARG 11 2HB ARG 11 6.982 5.434 -0.393
69 HB3 ARG 11 1HB ARG 11 8.280 6.408 0.287
70 HG2 ARG 11 2HG ARG 11 9.659 6.091 -1.524
71 HG3 ARG 11 1HG ARG 11 9.032 4.475 -1.850
72 HD2 ARG 11 2HD ARG 11 7.175 5.289 -3.037
73 HD3 ARG 11 1HD ARG 11 7.260 6.884 -2.265
74 HE ARG 11 HE ARG 11 9.710 6.446 -3.658
75 HH11 ARG 11 1HH2 ARG 11 7.681 8.782 -3.874
76 HH12 ARG 11 2HH2 ARG 11 7.331 8.728 -5.569
77 HH21 ARG 11 2HH1 ARG 11 8.675 5.554 -6.014
78 HH22 ARG 11 1HH1 ARG 11 7.888 6.891 -6.783
79 H ALA 12 H ALA 12 7.332 5.176 2.697
80 HA ALA 12 HA ALA 12 9.503 6.457 4.065
81 HB1 ALA 12 3HB ALA 12 6.879 5.281 5.045
82 HB2 ALA 12 1HB ALA 12 7.120 6.924 4.451
83 HB3 ALA 12 2HB ALA 12 7.877 6.412 5.959
84 H ARG 13 H ARG 13 8.279 3.128 4.101
85 HA ARG 13 HA ARG 13 10.013 2.343 6.352
86 HB2 ARG 13 2HB ARG 13 7.724 1.330 4.845
87 HB3 ARG 13 1HB ARG 13 8.934 0.076 5.120
88 HG2 ARG 13 2HG ARG 13 7.872 -0.135 7.130
89 HG3 ARG 13 1HG ARG 13 8.888 1.236 7.575
90 HD2 ARG 13 2HD ARG 13 6.704 1.932 8.199
91 HD3 ARG 13 1HD ARG 13 6.936 2.692 6.612
92 HE ARG 13 HE ARG 13 5.501 1.020 5.632
93 HH11 ARG 13 1HH2 ARG 13 4.110 1.660 8.316
94 HH12 ARG 13 2HH2 ARG 13 3.684 0.065 8.838
95 HH21 ARG 13 2HH1 ARG 13 5.803 -1.517 6.578
96 HH22 ARG 13 1HH1 ARG 13 4.649 -1.744 7.850
97 H ARG 14 H ARG 14 10.808 3.126 3.305
98 HA ARG 14 HA ARG 14 12.632 2.610 1.919
99 HB2 ARG 14 2HB ARG 14 13.605 2.381 4.307
100 HB3 ARG 14 1HB ARG 14 13.449 0.642 4.064
101 HG2 ARG 14 2HG ARG 14 14.867 0.754 2.076
102 HG3 ARG 14 1HG ARG 14 14.966 2.510 2.217
103 HD2 ARG 14 2HD ARG 14 16.830 2.170 3.476
104 HD3 ARG 14 1HD ARG 14 15.743 1.573 4.746
105 HE ARG 14 HE ARG 14 16.717 -0.281 2.607
106 HH11 ARG 14 2HH1 ARG 14 18.509 0.273 5.047
107 HH12 ARG 14 1HH1 ARG 14 18.092 -1.066 6.064
108 HH21 ARG 14 1HH2 ARG 14 15.216 -1.865 4.276
109 HH22 ARG 14 2HH2 ARG 14 16.221 -2.282 5.625
110 H CYS 15 H CYS 15 10.375 1.391 1.107
111 HA CYS 15 HA CYS 15 11.166 -1.446 0.558
112 HB2 CYS 15 2HB CYS 15 8.435 -0.157 0.799
113 HB3 CYS 15 1HB CYS 15 8.723 -1.856 0.445
114 H GLY 16 H GLY 16 11.050 -2.126 -1.591
115 HA2 GLY 16 2HA GLY 16 10.670 0.026 -3.600
116 HA3 GLY 16 1HA GLY 16 11.576 -1.458 -3.866
117 H TYR 17 H TYR 17 8.720 -2.243 -2.244
118 HA TYR 17 HA TYR 17 7.137 -2.511 -4.759
119 HB2 TYR 17 2HB TYR 17 8.759 -4.503 -3.939
120 HB3 TYR 17 1HB TYR 17 7.339 -4.879 -2.965
121 HD1 TYR 17 HD1 TYR 17 8.479 -4.228 -6.455
122 HD2 TYR 17 HD2 TYR 17 5.426 -5.887 -3.930
123 HE1 TYR 17 HE1 TYR 17 7.385 -5.235 -8.439
124 HE2 TYR 17 HE2 TYR 17 4.332 -6.893 -5.914
125 HH TYR 17 HH TYR 17 4.410 -6.156 -8.625
126 H TYR 18 H TYR 18 4.898 -2.463 -4.371
127 HA TYR 18 HA TYR 18 3.830 -2.908 -1.674
128 HB2 TYR 18 2HB TYR 18 3.393 -0.706 -1.109
129 HB3 TYR 18 1HB TYR 18 4.852 -0.464 -2.062
130 HD1 TYR 18 HD1 TYR 18 4.711 0.366 -4.396
131 HD2 TYR 18 HD2 TYR 18 1.218 0.006 -1.915
132 HE1 TYR 18 HE1 TYR 18 3.444 1.815 -5.959
133 HE2 TYR 18 HE2 TYR 18 -0.041 1.455 -3.477
134 HH TYR 18 HH TYR 18 0.418 1.963 -6.278
135 H VAL 19 H VAL 19 1.560 -3.204 -1.707
136 HA VAL 19 HA VAL 19 0.311 -3.244 -4.436
137 HB VAL 19 HB VAL 19 -0.288 -4.972 -2.007
138 HG11 VAL 19 1HG1 VAL 19 -1.127 -5.078 -4.916
139 HG12 VAL 19 2HG1 VAL 19 -2.170 -4.886 -3.507
140 HG13 VAL 19 3HG1 VAL 19 -1.350 -6.422 -3.795
141 HG21 VAL 19 3HG2 VAL 19 1.889 -5.634 -2.624
142 HG22 VAL 19 1HG2 VAL 19 1.591 -5.344 -4.338
143 HG23 VAL 19 2HG2 VAL 19 0.864 -6.738 -3.541
144 H SER 20 H SER 20 -1.875 -2.499 -4.566
145 HA SER 20 HA SER 20 -3.191 -1.482 -2.119
146 HB2 SER 20 2HB SER 20 -3.270 0.817 -3.018
147 HB3 SER 20 1HB SER 20 -1.602 0.280 -2.828
148 HG SER 20 HG SER 20 -1.378 0.198 -4.951
149 H VAL 21 H VAL 21 -5.379 -1.670 -2.311
150 HA VAL 21 HA VAL 21 -6.682 -1.596 -4.979
151 HB VAL 21 HB VAL 21 -6.177 -4.001 -3.278
152 HG11 VAL 21 1HG1 VAL 21 -8.829 -3.440 -4.620
153 HG12 VAL 21 2HG1 VAL 21 -8.537 -3.983 -2.967
154 HG13 VAL 21 3HG1 VAL 21 -8.258 -5.082 -4.317
155 HG21 VAL 21 3HG2 VAL 21 -6.549 -3.399 -6.219
156 HG22 VAL 21 1HG2 VAL 21 -6.421 -5.048 -5.606
157 HG23 VAL 21 2HG2 VAL 21 -5.081 -3.921 -5.393
158 H LEU 22 H LEU 22 -8.613 -0.515 -4.737
159 HA LEU 22 HA LEU 22 -9.770 -0.295 -1.979
160 HB2 LEU 22 2HB LEU 22 -8.935 1.670 -3.630
161 HB3 LEU 22 1HB LEU 22 -10.584 1.492 -4.232
162 HG LEU 22 HG LEU 22 -9.981 1.763 -1.282
163 HD11 LEU 22 1HD1 LEU 22 -10.372 4.140 -1.457
164 HD12 LEU 22 2HD1 LEU 22 -10.745 4.004 -3.175
165 HD13 LEU 22 3HD1 LEU 22 -9.099 3.728 -2.606
166 HD21 LEU 22 3HD2 LEU 22 -12.190 0.910 -1.794
167 HD22 LEU 22 1HD2 LEU 22 -12.439 2.158 -3.016
168 HD23 LEU 22 2HD2 LEU 22 -12.363 2.597 -1.309
169 H TYR 23 H TYR 23 -11.376 -1.828 -1.790
170 HA TYR 23 HA TYR 23 -13.508 -1.885 -3.877
171 HB2 TYR 23 2HB TYR 23 -11.663 -3.616 -4.255
172 HB3 TYR 23 1HB TYR 23 -12.203 -4.368 -2.755
173 HD1 TYR 23 HD1 TYR 23 -13.250 -3.422 -6.191
174 HD2 TYR 23 HD2 TYR 23 -14.215 -5.659 -2.653
175 HE1 TYR 23 HE1 TYR 23 -15.074 -4.571 -7.415
176 HE2 TYR 23 HE2 TYR 23 -16.040 -6.807 -3.875
177 HH TYR 23 HH TYR 23 -16.291 -7.047 -6.999
178 H ARG 24 H ARG 24 -15.524 -2.725 -3.073
179 HA ARG 24 HA ARG 24 -17.215 -2.960 -1.461
180 HB2 ARG 24 2HB ARG 24 -15.383 -4.928 -1.241
181 HB3 ARG 24 1HB ARG 24 -15.266 -4.244 0.377
182 HG2 ARG 24 2HG ARG 24 -17.553 -4.656 0.840
183 HG3 ARG 24 1HG ARG 24 -17.937 -4.899 -0.865
184 HD2 ARG 24 2HD ARG 24 -16.143 -6.869 -0.618
185 HD3 ARG 24 1HD ARG 24 -16.671 -6.792 1.075
186 HE ARG 24 HE ARG 24 -18.800 -6.819 -0.992
187 HH11 ARG 24 1HH2 ARG 24 -19.199 -7.417 1.952
188 HH12 ARG 24 2HH2 ARG 24 -19.351 -9.142 1.937
189 HH21 ARG 24 2HH1 ARG 24 -18.025 -9.492 -1.259
190 HH22 ARG 24 1HH1 ARG 24 -18.685 -10.322 0.111
191 H GLY 25 H GLY 25 -15.453 -0.530 -1.270
192 HA2 GLY 25 2HA GLY 25 -15.304 1.319 0.172
193 HA3 GLY 25 1HA GLY 25 -16.448 0.495 1.233
194 H ARG 26 H ARG 26 -13.411 -0.969 0.233
195 HA ARG 26 HA ARG 26 -12.253 -0.469 2.939
196 HB2 ARG 26 2HB ARG 26 -13.559 -2.732 2.402
197 HB3 ARG 26 1HB ARG 26 -12.027 -3.157 1.639
198 HG2 ARG 26 2HG ARG 26 -11.613 -3.888 3.799
199 HG3 ARG 26 1HG ARG 26 -11.024 -2.230 3.920
200 HD2 ARG 26 2HD ARG 26 -12.998 -1.490 5.028
201 HD3 ARG 26 1HD ARG 26 -13.897 -2.949 4.565
202 HE ARG 26 HE ARG 26 -11.867 -2.781 6.707
203 HH11 ARG 26 1HH2 ARG 26 -14.666 -4.152 6.623
204 HH12 ARG 26 2HH2 ARG 26 -14.189 -5.814 6.710
205 HH21 ARG 26 2HH1 ARG 26 -10.859 -5.169 5.942
206 HH22 ARG 26 1HH1 ARG 26 -12.026 -6.392 6.320
207 H CYS 27 H CYS 27 -9.951 -0.469 2.949
208 HA CYS 27 HA CYS 27 -8.716 -0.299 0.237
209 HB2 CYS 27 2HB CYS 27 -8.796 1.624 1.993
210 HB3 CYS 27 1HB CYS 27 -7.537 0.709 2.824
211 H TYR 28 H TYR 28 -7.462 -1.987 -0.328
212 HA TYR 28 HA TYR 28 -6.267 -3.732 1.782
213 HB2 TYR 28 2HB TYR 28 -6.797 -4.180 -1.180
214 HB3 TYR 28 1HB TYR 28 -6.228 -5.401 -0.043
215 HD1 TYR 28 HD2 TYR 28 -7.712 -6.289 1.704
216 HD2 TYR 28 HD1 TYR 28 -9.114 -3.413 -1.157
217 HE1 TYR 28 HE2 TYR 28 -10.055 -6.791 2.346
218 HE2 TYR 28 HE1 TYR 28 -11.453 -3.913 -0.516
219 HH TYR 28 HH TYR 28 -12.400 -5.190 2.128
220 H CYS 29 H CYS 29 -4.282 -2.681 2.189
221 HA CYS 29 HA CYS 29 -2.547 -2.106 -0.182
222 HB2 CYS 29 2HB CYS 29 -2.881 -0.900 2.554
223 HB3 CYS 29 1HB CYS 29 -1.398 -0.633 1.636
224 H LYS 30 H LYS 30 -0.277 -2.595 0.015
225 HA LYS 30 HA LYS 30 0.589 -4.384 2.216
226 HB2 LYS 30 2HB LYS 30 -0.527 -5.388 -0.096
227 HB3 LYS 30 1HB LYS 30 1.192 -5.396 -0.489
228 HG2 LYS 30 2HG LYS 30 1.720 -6.859 1.256
229 HG3 LYS 30 1HG LYS 30 0.263 -6.458 2.164
230 HD2 LYS 30 2HD LYS 30 -0.915 -8.091 1.150
231 HD3 LYS 30 1HD LYS 30 -0.405 -7.546 -0.448
232 HE2 LYS 30 2HE LYS 30 0.689 -9.573 -0.479
233 HE3 LYS 30 1HE LYS 30 1.913 -8.687 0.451
234 HZ1 LYS 30 3HZ LYS 30 1.117 -10.761 1.551
235 HZ2 LYS 30 1HZ LYS 30 -0.422 -10.060 1.679
236 HZ3 LYS 30 2HZ LYS 30 0.901 -9.361 2.487
237 H CYS 31 H CYS 31 2.906 -4.575 2.300
238 HA CYS 31 HA CYS 31 4.471 -2.781 0.475
239 HB2 CYS 31 2HB CYS 31 3.787 -1.754 2.705
240 HB3 CYS 31 1HB CYS 31 4.751 -3.003 3.483
241 H LEU 32 H LEU 32 6.250 -3.877 -0.313
242 HA LEU 32 HA LEU 32 7.430 -6.090 1.305
243 HB2 LEU 32 2HB LEU 32 6.340 -6.182 -1.515
244 HB3 LEU 32 1HB LEU 32 7.476 -7.389 -0.917
245 HG LEU 32 HG LEU 32 4.827 -6.729 0.406
246 HD11 LEU 32 1HD1 LEU 32 4.200 -9.021 -0.471
247 HD12 LEU 32 2HD1 LEU 32 5.653 -8.962 -1.468
248 HD13 LEU 32 3HD1 LEU 32 4.366 -7.780 -1.713
249 HD21 LEU 32 3HD2 LEU 32 7.071 -8.659 0.956
250 HD22 LEU 32 1HD2 LEU 32 5.422 -9.086 1.413
251 HD23 LEU 32 2HD2 LEU 32 6.176 -7.643 2.088
252 H ARG 33 H ARG 33 9.451 -6.951 -0.075
253 HA ARG 33 HA ARG 33 11.638 -6.463 -0.796
254 HB2 ARG 33 2HB ARG 33 10.085 -4.347 -2.332
255 HB3 ARG 33 1HB ARG 33 11.699 -4.925 -2.736
256 HG2 ARG 33 2HG ARG 33 9.175 -6.608 -2.679
257 HG3 ARG 33 1HG ARG 33 10.006 -6.045 -4.127
258 HD2 ARG 33 2HD ARG 33 11.242 -7.947 -4.050
259 HD3 ARG 33 1HD ARG 33 11.993 -7.324 -2.568
260 HE ARG 33 HE ARG 33 9.422 -8.399 -1.911
261 HH11 ARG 33 2HH1 ARG 33 11.927 -9.050 -0.411
262 HH12 ARG 33 1HH1 ARG 33 12.143 -10.730 -0.768
263 HH21 ARG 33 1HH2 ARG 33 9.968 -10.703 -3.478
264 HH22 ARG 33 2HH2 ARG 33 11.031 -11.669 -2.512
265 H CYS 34 HN CYS 34 11.344 -5.498 1.681
266 HA CYS 34 HA CYS 34 12.106 -2.619 1.664
267 HB2 CYS 34 2HB CYS 34 11.302 -4.479 3.922
268 HB3 CYS 34 1HB CYS 34 11.485 -2.730 4.038
Start of MODEL 10
1 H1 SER 1 1H SER 1 -5.405 10.006 -2.033
2 H2 SER 1 2H SER 1 -6.965 9.546 -1.544
3 H3 SER 1 3H SER 1 -6.731 10.286 -3.055
4 HA SER 1 HA SER 1 -7.052 7.923 -3.382
5 HB2 SER 1 2HB SER 1 -5.601 9.034 -4.927
6 HB3 SER 1 1HB SER 1 -4.293 9.110 -3.751
7 HG SER 1 HG SER 1 -4.200 7.398 -5.421
8 H CYS 2 H CYS 2 -7.172 6.138 -2.082
9 HA CYS 2 HA CYS 2 -5.637 5.717 0.297
10 HB2 CYS 2 2HB CYS 2 -7.882 4.685 -0.721
11 HB3 CYS 2 1HB CYS 2 -6.773 3.433 -1.276
12 H ALA 3 H ALA 3 -5.259 4.441 -3.021
13 HA ALA 3 HA ALA 3 -3.013 2.735 -2.494
14 HB1 ALA 3 3HB ALA 3 -2.785 2.813 -4.951
15 HB2 ALA 3 1HB ALA 3 -3.839 4.226 -5.009
16 HB3 ALA 3 2HB ALA 3 -4.483 2.666 -4.495
17 H SER 4 H SER 4 -3.253 6.187 -3.378
18 HA SER 4 HA SER 4 -0.443 6.631 -3.824
19 HB2 SER 4 2HB SER 4 -2.408 8.088 -4.483
20 HB3 SER 4 1HB SER 4 -2.546 8.562 -2.793
21 HG SER 4 HG SER 4 -1.258 10.071 -3.746
22 H ARG 5 H ARG 5 -2.485 6.863 -0.914
23 HA ARG 5 HA ARG 5 -0.441 7.917 0.834
24 HB2 ARG 5 2HB ARG 5 -2.906 8.001 1.210
25 HB3 ARG 5 1HB ARG 5 -2.918 6.251 1.412
26 HG2 ARG 5 2HG ARG 5 -0.902 7.483 3.108
27 HG3 ARG 5 1HG ARG 5 -2.499 8.164 3.423
28 HD2 ARG 5 2HD ARG 5 -3.421 5.876 3.703
29 HD3 ARG 5 1HD ARG 5 -1.802 5.203 3.421
30 HE ARG 5 HE ARG 5 -1.104 6.714 5.412
31 HH11 ARG 5 1HH2 ARG 5 -3.730 7.860 6.068
32 HH12 ARG 5 2HH2 ARG 5 -4.351 6.774 7.265
33 HH21 ARG 5 2HH1 ARG 5 -2.118 4.226 6.489
34 HH22 ARG 5 1HH1 ARG 5 -3.435 4.710 7.505
35 H CYS 6 H CYS 6 -1.572 4.629 0.076
36 HA CYS 6 HA CYS 6 0.063 3.231 1.979
37 HB2 CYS 6 2HB CYS 6 -1.219 2.499 -0.661
38 HB3 CYS 6 1HB CYS 6 -0.426 1.315 0.379
39 H LYS 7 H LYS 7 0.668 4.301 -1.369
40 HA LYS 7 HA LYS 7 3.134 2.887 -1.773
41 HB2 LYS 7 2HB LYS 7 1.653 4.094 -3.463
42 HB3 LYS 7 1HB LYS 7 2.333 5.605 -2.860
43 HG2 LYS 7 2HG LYS 7 4.530 5.028 -3.574
44 HG3 LYS 7 1HG LYS 7 4.089 3.339 -3.823
45 HD2 LYS 7 2HD LYS 7 3.863 3.956 -6.000
46 HD3 LYS 7 1HD LYS 7 2.305 4.592 -5.473
47 HE2 LYS 7 2HE LYS 7 3.262 6.813 -5.142
48 HE3 LYS 7 1HE LYS 7 4.886 6.202 -5.517
49 HZ1 LYS 7 3HZ LYS 7 3.659 7.226 -7.442
50 HZ2 LYS 7 1HZ LYS 7 2.582 5.916 -7.368
51 HZ3 LYS 7 2HZ LYS 7 4.225 5.645 -7.704
52 H GLY 8 H GLY 8 2.395 6.116 -0.444
53 HA2 GLY 8 2HA GLY 8 5.112 6.940 -0.038
54 HA3 GLY 8 1HA GLY 8 3.713 7.600 0.808
55 H HIS 9 H HIS 9 2.796 5.164 2.000
56 HA HIS 9 HA HIS 9 4.335 5.075 4.405
57 HB2 HIS 9 2HB HIS 9 1.936 4.459 4.127
58 HB3 HIS 9 1HB HIS 9 2.423 3.040 3.206
59 HD1 HIS 9 HD1 HIS 9 4.469 4.042 6.179
60 HD2 HIS 9 HD2 HIS 9 1.449 1.309 5.278
61 HE1 HIS 9 HE1 HIS 9 4.352 2.432 8.129
62 H CYS 10 H CYS 10 4.165 2.781 1.661
63 HA CYS 10 HA CYS 10 6.113 0.918 2.645
64 HB2 CYS 10 2HB CYS 10 4.343 0.916 0.668
65 HB3 CYS 10 1HB CYS 10 5.704 1.511 -0.276
66 H ARG 11 H ARG 11 6.403 3.816 0.570
67 HA ARG 11 HA ARG 11 9.219 3.557 0.031
68 HB2 ARG 11 2HB ARG 11 7.040 5.292 -0.558
69 HB3 ARG 11 1HB ARG 11 8.312 6.294 0.135
70 HG2 ARG 11 2HG ARG 11 8.751 4.311 -2.115
71 HG3 ARG 11 1HG ARG 11 8.485 6.037 -2.358
72 HD2 ARG 11 2HD ARG 11 10.572 6.617 -1.533
73 HD3 ARG 11 1HD ARG 11 10.645 5.218 -0.443
74 HE ARG 11 HE ARG 11 10.727 4.739 -3.384
75 HH11 ARG 11 1HH2 ARG 11 13.376 5.686 -2.570
76 HH12 ARG 11 2HH2 ARG 11 14.173 4.245 -2.034
77 HH21 ARG 11 2HH1 ARG 11 11.226 2.425 -1.707
78 HH22 ARG 11 1HH1 ARG 11 12.951 2.392 -1.544
79 H ALA 12 H ALA 12 7.355 5.160 2.613
80 HA ALA 12 HA ALA 12 9.515 6.512 3.916
81 HB1 ALA 12 3HB ALA 12 6.959 5.293 5.016
82 HB2 ALA 12 1HB ALA 12 7.104 6.903 4.314
83 HB3 ALA 12 2HB ALA 12 7.930 6.523 5.825
84 H ARG 13 H ARG 13 8.305 3.177 4.139
85 HA ARG 13 HA ARG 13 10.112 2.467 6.344
86 HB2 ARG 13 2HB ARG 13 7.735 1.570 5.689
87 HB3 ARG 13 1HB ARG 13 8.623 0.551 4.556
88 HG2 ARG 13 2HG ARG 13 10.102 -0.063 6.602
89 HG3 ARG 13 1HG ARG 13 8.777 0.590 7.566
90 HD2 ARG 13 2HD ARG 13 7.383 -1.008 5.844
91 HD3 ARG 13 1HD ARG 13 8.896 -1.923 5.997
92 HE ARG 13 HE ARG 13 7.721 -0.904 8.517
93 HH11 ARG 13 1HH2 ARG 13 9.683 -3.069 8.666
94 HH12 ARG 13 2HH2 ARG 13 8.708 -4.494 8.785
95 HH21 ARG 13 2HH1 ARG 13 5.818 -2.925 7.659
96 HH22 ARG 13 1HH1 ARG 13 6.510 -4.414 8.209
97 H ARG 14 H ARG 14 10.761 3.162 3.201
98 HA ARG 14 HA ARG 14 12.616 2.730 1.830
99 HB2 ARG 14 2HB ARG 14 13.456 2.319 4.374
100 HB3 ARG 14 1HB ARG 14 13.688 0.701 3.718
101 HG2 ARG 14 2HG ARG 14 15.639 1.445 2.860
102 HG3 ARG 14 1HG ARG 14 14.678 2.393 1.726
103 HD2 ARG 14 2HD ARG 14 16.163 3.950 2.819
104 HD3 ARG 14 1HD ARG 14 14.569 4.199 3.556
105 HE ARG 14 HE ARG 14 15.979 2.144 4.991
106 HH11 ARG 14 2HH1 ARG 14 14.486 4.446 6.246
107 HH12 ARG 14 1HH1 ARG 14 15.771 5.342 6.983
108 HH21 ARG 14 1HH2 ARG 14 18.273 3.769 5.150
109 HH22 ARG 14 2HH2 ARG 14 17.924 4.958 6.361
110 H CYS 15 H CYS 15 10.283 1.378 1.228
111 HA CYS 15 HA CYS 15 11.154 -1.423 0.629
112 HB2 CYS 15 2HB CYS 15 8.410 -0.151 0.820
113 HB3 CYS 15 1HB CYS 15 8.715 -1.856 0.516
114 H GLY 16 H GLY 16 10.910 -2.178 -1.520
115 HA2 GLY 16 2HA GLY 16 10.630 -0.030 -3.559
116 HA3 GLY 16 1HA GLY 16 11.487 -1.547 -3.805
117 H TYR 17 H TYR 17 8.811 -2.589 -2.248
118 HA TYR 17 HA TYR 17 7.152 -2.686 -4.744
119 HB2 TYR 17 2HB TYR 17 8.711 -4.713 -3.849
120 HB3 TYR 17 1HB TYR 17 7.243 -5.039 -2.929
121 HD1 TYR 17 HD1 TYR 17 8.586 -4.538 -6.361
122 HD2 TYR 17 HD2 TYR 17 5.288 -5.911 -3.975
123 HE1 TYR 17 HE1 TYR 17 7.538 -5.527 -8.379
124 HE2 TYR 17 HE2 TYR 17 4.240 -6.898 -5.993
125 HH TYR 17 HH TYR 17 5.587 -7.714 -8.552
126 H TYR 18 H TYR 18 4.916 -2.563 -4.380
127 HA TYR 18 HA TYR 18 3.813 -2.931 -1.684
128 HB2 TYR 18 2HB TYR 18 3.450 -0.714 -1.155
129 HB3 TYR 18 1HB TYR 18 4.892 -0.511 -2.141
130 HD1 TYR 18 HD1 TYR 18 4.720 0.296 -4.479
131 HD2 TYR 18 HD2 TYR 18 1.263 0.003 -1.936
132 HE1 TYR 18 HE1 TYR 18 3.442 1.742 -6.039
133 HE2 TYR 18 HE2 TYR 18 -0.005 1.447 -3.495
134 HH TYR 18 HH TYR 18 0.398 1.919 -6.298
135 H VAL 19 H VAL 19 1.551 -3.225 -1.739
136 HA VAL 19 HA VAL 19 0.306 -3.226 -4.472
137 HB VAL 19 HB VAL 19 -0.236 -5.015 -2.073
138 HG11 VAL 19 1HG1 VAL 19 -1.289 -4.917 -4.901
139 HG12 VAL 19 2HG1 VAL 19 -2.203 -4.957 -3.393
140 HG13 VAL 19 3HG1 VAL 19 -1.349 -6.398 -3.945
141 HG21 VAL 19 3HG2 VAL 19 1.500 -6.290 -2.745
142 HG22 VAL 19 1HG2 VAL 19 1.904 -5.076 -3.958
143 HG23 VAL 19 2HG2 VAL 19 0.812 -6.397 -4.365
144 H SER 20 H SER 20 -1.871 -2.469 -4.588
145 HA SER 20 HA SER 20 -3.196 -1.524 -2.116
146 HB2 SER 20 2HB SER 20 -3.282 0.797 -2.954
147 HB3 SER 20 1HB SER 20 -1.610 0.263 -2.792
148 HG SER 20 HG SER 20 -1.414 0.198 -4.928
149 H VAL 21 H VAL 21 -5.385 -1.745 -2.323
150 HA VAL 21 HA VAL 21 -6.680 -1.603 -4.994
151 HB VAL 21 HB VAL 21 -6.150 -4.055 -3.372
152 HG11 VAL 21 1HG1 VAL 21 -8.504 -4.102 -3.075
153 HG12 VAL 21 2HG1 VAL 21 -8.213 -5.120 -4.485
154 HG13 VAL 21 3HG1 VAL 21 -8.804 -3.472 -4.695
155 HG21 VAL 21 3HG2 VAL 21 -6.335 -5.036 -5.721
156 HG22 VAL 21 1HG2 VAL 21 -5.043 -3.859 -5.485
157 HG23 VAL 21 2HG2 VAL 21 -6.534 -3.381 -6.298
158 H LEU 22 H LEU 22 -8.647 -0.590 -4.740
159 HA LEU 22 HA LEU 22 -9.802 -0.438 -1.979
160 HB2 LEU 22 2HB LEU 22 -9.055 1.554 -3.657
161 HB3 LEU 22 1HB LEU 22 -10.718 1.329 -4.198
162 HG LEU 22 HG LEU 22 -10.010 1.616 -1.272
163 HD11 LEU 22 1HD1 LEU 22 -10.674 3.763 -3.307
164 HD12 LEU 22 2HD1 LEU 22 -9.220 3.645 -2.317
165 HD13 LEU 22 3HD1 LEU 22 -10.772 4.008 -1.563
166 HD21 LEU 22 3HD2 LEU 22 -12.203 0.703 -1.640
167 HD22 LEU 22 1HD2 LEU 22 -12.542 1.868 -2.921
168 HD23 LEU 22 2HD2 LEU 22 -12.431 2.406 -1.245
169 H TYR 23 H TYR 23 -11.344 -2.023 -1.784
170 HA TYR 23 HA TYR 23 -13.411 -2.247 -3.941
171 HB2 TYR 23 2HB TYR 23 -11.596 -4.000 -4.060
172 HB3 TYR 23 1HB TYR 23 -12.100 -4.535 -2.457
173 HD1 TYR 23 HD1 TYR 23 -13.387 -3.951 -5.919
174 HD2 TYR 23 HD2 TYR 23 -13.894 -6.030 -2.195
175 HE1 TYR 23 HE1 TYR 23 -15.194 -5.317 -6.928
176 HE2 TYR 23 HE2 TYR 23 -15.700 -7.397 -3.204
177 HH TYR 23 HH TYR 23 -16.162 -7.947 -6.146
178 H ARG 24 H ARG 24 -15.501 -2.761 -3.163
179 HA ARG 24 HA ARG 24 -17.271 -2.795 -1.608
180 HB2 ARG 24 2HB ARG 24 -15.729 -4.921 -1.265
181 HB3 ARG 24 1HB ARG 24 -15.385 -4.154 0.284
182 HG2 ARG 24 2HG ARG 24 -18.137 -3.923 0.090
183 HG3 ARG 24 1HG ARG 24 -17.828 -5.503 -0.628
184 HD2 ARG 24 2HD ARG 24 -16.692 -4.636 2.054
185 HD3 ARG 24 1HD ARG 24 -18.171 -5.598 1.871
186 HE ARG 24 HE ARG 24 -16.331 -6.961 0.316
187 HH11 ARG 24 2HH1 ARG 24 -17.350 -8.254 2.759
188 HH12 ARG 24 1HH1 ARG 24 -15.929 -8.436 3.731
189 HH21 ARG 24 1HH2 ARG 24 -14.068 -6.135 1.903
190 HH22 ARG 24 2HH2 ARG 24 -14.062 -7.227 3.246
191 H GLY 25 H GLY 25 -15.333 -0.496 -1.466
192 HA2 GLY 25 2HA GLY 25 -15.116 1.414 -0.111
193 HA3 GLY 25 1HA GLY 25 -16.315 0.705 0.971
194 H ARG 26 H ARG 26 -13.469 -1.130 0.154
195 HA ARG 26 HA ARG 26 -12.312 -0.567 2.857
196 HB2 ARG 26 2HB ARG 26 -13.625 -2.799 2.262
197 HB3 ARG 26 1HB ARG 26 -12.099 -3.232 1.491
198 HG2 ARG 26 2HG ARG 26 -10.906 -3.147 3.516
199 HG3 ARG 26 1HG ARG 26 -12.140 -2.168 4.310
200 HD2 ARG 26 2HD ARG 26 -12.938 -4.885 3.323
201 HD3 ARG 26 1HD ARG 26 -11.973 -4.780 4.808
202 HE ARG 26 HE ARG 26 -14.356 -3.009 4.567
203 HH11 ARG 26 1HH2 ARG 26 -15.147 -5.866 5.068
204 HH12 ARG 26 2HH2 ARG 26 -15.159 -5.940 6.797
205 HH21 ARG 26 2HH1 ARG 26 -13.318 -3.017 7.193
206 HH22 ARG 26 1HH1 ARG 26 -14.123 -4.318 8.006
207 H CYS 27 H CYS 27 -10.000 -0.583 2.920
208 HA CYS 27 HA CYS 27 -8.719 -0.355 0.237
209 HB2 CYS 27 2HB CYS 27 -8.812 1.500 2.075
210 HB3 CYS 27 1HB CYS 27 -7.546 0.554 2.858
211 H TYR 28 H TYR 28 -7.417 -1.981 -0.370
212 HA TYR 28 HA TYR 28 -6.287 -3.847 1.676
213 HB2 TYR 28 2HB TYR 28 -6.931 -4.040 -1.281
214 HB3 TYR 28 1HB TYR 28 -6.032 -5.290 -0.427
215 HD1 TYR 28 HD2 TYR 28 -7.103 -6.659 1.303
216 HD2 TYR 28 HD1 TYR 28 -9.311 -3.680 -0.863
217 HE1 TYR 28 HE2 TYR 28 -9.227 -7.655 2.104
218 HE2 TYR 28 HE1 TYR 28 -11.438 -4.677 -0.065
219 HH TYR 28 HH TYR 28 -11.685 -7.701 1.215
220 H CYS 29 H CYS 29 -4.356 -2.691 2.195
221 HA CYS 29 HA CYS 29 -2.546 -2.025 -0.094
222 HB2 CYS 29 2HB CYS 29 -2.984 -0.934 2.678
223 HB3 CYS 29 1HB CYS 29 -1.477 -0.613 1.820
224 H LYS 30 H LYS 30 -0.334 -2.609 0.044
225 HA LYS 30 HA LYS 30 0.553 -4.374 2.261
226 HB2 LYS 30 2HB LYS 30 -0.515 -5.316 -0.176
227 HB3 LYS 30 1HB LYS 30 1.231 -5.517 -0.320
228 HG2 LYS 30 2HG LYS 30 1.094 -6.527 2.069
229 HG3 LYS 30 1HG LYS 30 -0.632 -6.686 1.741
230 HD2 LYS 30 2HD LYS 30 -0.191 -8.046 -0.222
231 HD3 LYS 30 1HD LYS 30 1.545 -7.783 -0.063
232 HE2 LYS 30 2HE LYS 30 0.047 -8.974 2.259
233 HE3 LYS 30 1HE LYS 30 0.484 -10.009 0.887
234 HZ1 LYS 30 3HZ LYS 30 2.768 -9.184 1.058
235 HZ2 LYS 30 1HZ LYS 30 2.285 -9.953 2.490
236 HZ3 LYS 30 2HZ LYS 30 2.340 -8.257 2.417
237 H CYS 31 H CYS 31 2.867 -4.580 2.323
238 HA CYS 31 HA CYS 31 4.432 -2.819 0.464
239 HB2 CYS 31 2HB CYS 31 3.770 -1.712 2.648
240 HB3 CYS 31 1HB CYS 31 4.672 -2.969 3.482
241 H LEU 32 H LEU 32 6.257 -3.886 -0.260
242 HA LEU 32 HA LEU 32 7.409 -6.088 1.386
243 HB2 LEU 32 2HB LEU 32 6.247 -6.203 -1.391
244 HB3 LEU 32 1HB LEU 32 7.508 -7.337 -0.917
245 HG LEU 32 HG LEU 32 5.028 -6.925 0.760
246 HD11 LEU 32 1HD1 LEU 32 4.589 -9.302 -0.476
247 HD12 LEU 32 2HD1 LEU 32 5.380 -8.416 -1.780
248 HD13 LEU 32 3HD1 LEU 32 3.912 -7.776 -1.043
249 HD21 LEU 32 3HD2 LEU 32 6.992 -8.033 1.798
250 HD22 LEU 32 1HD2 LEU 32 7.004 -9.217 0.489
251 HD23 LEU 32 2HD2 LEU 32 5.644 -9.155 1.611
252 H ARG 33 H ARG 33 9.450 -6.949 0.017
253 HA ARG 33 HA ARG 33 11.649 -6.450 -0.669
254 HB2 ARG 33 2HB ARG 33 9.977 -4.464 -2.243
255 HB3 ARG 33 1HB ARG 33 11.691 -4.736 -2.545
256 HG2 ARG 33 2HG ARG 33 9.674 -6.988 -2.544
257 HG3 ARG 33 1HG ARG 33 10.064 -6.075 -3.999
258 HD2 ARG 33 2HD ARG 33 12.495 -6.913 -2.621
259 HD3 ARG 33 1HD ARG 33 11.470 -8.301 -3.036
260 HE ARG 33 HE ARG 33 11.331 -7.111 -5.372
261 HH11 ARG 33 2HH1 ARG 33 13.371 -5.026 -4.522
262 HH12 ARG 33 1HH1 ARG 33 14.831 -5.686 -5.181
263 HH21 ARG 33 1HH2 ARG 33 13.488 -8.857 -5.657
264 HH22 ARG 33 2HH2 ARG 33 14.897 -7.864 -5.826
265 H CYS 34 HN CYS 34 11.243 -5.457 1.816
266 HA CYS 34 HA CYS 34 12.022 -2.585 1.803
267 HB2 CYS 34 2HB CYS 34 11.185 -4.453 4.044
268 HB3 CYS 34 1HB CYS 34 11.391 -2.707 4.180
Start of MODEL 11
1 H1 SER 1 1H SER 1 -6.442 8.070 -5.459
2 H2 SER 1 2H SER 1 -6.963 6.740 -4.540
3 H3 SER 1 3H SER 1 -5.340 6.854 -5.028
4 HA SER 1 HA SER 1 -5.098 8.889 -3.658
5 HB2 SER 1 2HB SER 1 -7.747 9.031 -3.898
6 HB3 SER 1 1HB SER 1 -7.704 8.128 -2.386
7 HG SER 1 HG SER 1 -7.687 10.449 -2.141
8 H CYS 2 H CYS 2 -7.001 6.064 -2.477
9 HA CYS 2 HA CYS 2 -5.621 5.683 -0.031
10 HB2 CYS 2 2HB CYS 2 -7.752 4.581 -1.251
11 HB3 CYS 2 1HB CYS 2 -6.569 3.317 -1.587
12 H ALA 3 H ALA 3 -4.884 4.418 -3.282
13 HA ALA 3 HA ALA 3 -2.742 2.670 -2.524
14 HB1 ALA 3 3HB ALA 3 -3.291 4.216 -5.080
15 HB2 ALA 3 1HB ALA 3 -3.918 2.615 -4.687
16 HB3 ALA 3 2HB ALA 3 -2.189 2.846 -4.947
17 H SER 4 H SER 4 -2.775 6.110 -3.484
18 HA SER 4 HA SER 4 0.066 6.501 -3.511
19 HB2 SER 4 2HB SER 4 -2.386 8.218 -3.233
20 HB3 SER 4 1HB SER 4 -0.793 8.943 -3.032
21 HG SER 4 HG SER 4 -1.645 8.936 -5.224
22 H ARG 5 H ARG 5 -2.364 6.837 -0.913
23 HA ARG 5 HA ARG 5 -0.575 7.905 1.081
24 HB2 ARG 5 2HB ARG 5 -3.117 7.883 1.075
25 HB3 ARG 5 1HB ARG 5 -3.037 6.166 1.467
26 HG2 ARG 5 2HG ARG 5 -1.454 6.984 3.409
27 HG3 ARG 5 1HG ARG 5 -2.257 8.533 3.144
28 HD2 ARG 5 2HD ARG 5 -4.432 7.569 3.589
29 HD3 ARG 5 1HD ARG 5 -3.752 5.930 3.621
30 HE ARG 5 HE ARG 5 -3.308 8.017 5.696
31 HH11 ARG 5 2HH1 ARG 5 -4.479 5.388 6.419
32 HH12 ARG 5 1HH1 ARG 5 -3.110 4.511 7.016
33 HH21 ARG 5 1HH2 ARG 5 -0.783 6.670 5.603
34 HH22 ARG 5 2HH2 ARG 5 -1.007 5.241 6.555
35 H CYS 6 H CYS 6 -1.545 4.602 0.194
36 HA CYS 6 HA CYS 6 -0.018 3.291 2.291
37 HB2 CYS 6 2HB CYS 6 -1.255 2.439 -0.341
38 HB3 CYS 6 1HB CYS 6 -0.492 1.298 0.766
39 H LYS 7 H LYS 7 0.621 4.281 -1.052
40 HA LYS 7 HA LYS 7 3.096 2.872 -1.426
41 HB2 LYS 7 2HB LYS 7 1.512 4.130 -3.074
42 HB3 LYS 7 1HB LYS 7 2.412 5.571 -2.600
43 HG2 LYS 7 2HG LYS 7 4.493 4.608 -3.351
44 HG3 LYS 7 1HG LYS 7 3.726 3.041 -3.624
45 HD2 LYS 7 2HD LYS 7 3.050 3.657 -5.682
46 HD3 LYS 7 1HD LYS 7 2.300 5.120 -5.048
47 HE2 LYS 7 2HE LYS 7 4.018 5.812 -6.616
48 HE3 LYS 7 1HE LYS 7 4.632 6.156 -4.987
49 HZ1 LYS 7 3HZ LYS 7 6.225 4.912 -6.426
50 HZ2 LYS 7 1HZ LYS 7 5.138 3.611 -6.440
51 HZ3 LYS 7 2HZ LYS 7 5.842 4.114 -4.976
52 H GLY 8 H GLY 8 2.301 6.108 -0.129
53 HA2 GLY 8 2HA GLY 8 5.001 7.002 0.234
54 HA3 GLY 8 1HA GLY 8 3.599 7.621 1.111
55 H HIS 9 H HIS 9 2.749 5.194 2.318
56 HA HIS 9 HA HIS 9 4.389 5.091 4.663
57 HB2 HIS 9 2HB HIS 9 1.874 4.327 3.953
58 HB3 HIS 9 1HB HIS 9 2.681 2.760 3.964
59 HD1 HIS 9 HD1 HIS 9 3.205 5.751 6.276
60 HD2 HIS 9 HD2 HIS 9 2.059 1.746 6.465
61 HE1 HIS 9 HE1 HIS 9 2.965 5.189 8.735
62 H CYS 10 H CYS 10 4.114 2.899 1.856
63 HA CYS 10 HA CYS 10 6.047 0.952 2.745
64 HB2 CYS 10 2HB CYS 10 4.217 0.890 0.909
65 HB3 CYS 10 1HB CYS 10 5.394 1.706 -0.113
66 H ARG 11 H ARG 11 6.284 3.888 0.723
67 HA ARG 11 HA ARG 11 9.067 3.643 0.048
68 HB2 ARG 11 2HB ARG 11 6.873 5.428 -0.332
69 HB3 ARG 11 1HB ARG 11 8.203 6.378 0.319
70 HG2 ARG 11 2HG ARG 11 8.980 6.446 -1.808
71 HG3 ARG 11 1HG ARG 11 9.465 4.770 -1.547
72 HD2 ARG 11 2HD ARG 11 6.992 4.212 -2.245
73 HD3 ARG 11 1HD ARG 11 7.032 5.828 -2.976
74 HE ARG 11 HE ARG 11 8.593 5.018 -4.569
75 HH11 ARG 11 1HH2 ARG 11 7.284 2.298 -3.662
76 HH12 ARG 11 2HH2 ARG 11 8.707 1.320 -3.553
77 HH21 ARG 11 2HH1 ARG 11 10.891 4.022 -3.659
78 HH22 ARG 11 1HH1 ARG 11 10.758 2.298 -3.548
79 H ALA 12 H ALA 12 7.346 5.185 2.769
80 HA ALA 12 HA ALA 12 9.590 6.432 4.032
81 HB1 ALA 12 3HB ALA 12 7.193 6.862 4.520
82 HB2 ALA 12 1HB ALA 12 8.078 6.448 5.988
83 HB3 ALA 12 2HB ALA 12 7.053 5.243 5.207
84 H ARG 13 H ARG 13 8.286 3.132 4.201
85 HA ARG 13 HA ARG 13 10.121 2.286 6.323
86 HB2 ARG 13 2HB ARG 13 7.827 1.284 4.807
87 HB3 ARG 13 1HB ARG 13 9.054 0.042 5.051
88 HG2 ARG 13 2HG ARG 13 7.751 -0.151 6.990
89 HG3 ARG 13 1HG ARG 13 9.073 0.889 7.521
90 HD2 ARG 13 2HD ARG 13 7.580 2.880 6.905
91 HD3 ARG 13 1HD ARG 13 6.252 1.709 6.772
92 HE ARG 13 HE ARG 13 7.765 2.316 9.268
93 HH11 ARG 13 1HH2 ARG 13 4.704 2.496 8.612
94 HH12 ARG 13 2HH2 ARG 13 4.122 1.174 9.568
95 HH21 ARG 13 2HH1 ARG 13 7.275 -0.204 10.058
96 HH22 ARG 13 1HH1 ARG 13 5.583 -0.359 10.391
97 H ARG 14 H ARG 14 10.760 3.128 3.221
98 HA ARG 14 HA ARG 14 12.591 2.736 1.811
99 HB2 ARG 14 2HB ARG 14 13.549 2.335 4.238
100 HB3 ARG 14 1HB ARG 14 13.556 0.644 3.741
101 HG2 ARG 14 2HG ARG 14 15.720 1.573 3.203
102 HG3 ARG 14 1HG ARG 14 14.848 1.332 1.688
103 HD2 ARG 14 2HD ARG 14 14.227 3.953 2.752
104 HD3 ARG 14 1HD ARG 14 15.985 3.752 2.614
105 HE ARG 14 HE ARG 14 14.050 3.386 0.362
106 HH11 ARG 14 1HH2 ARG 14 16.421 1.714 -0.079
107 HH12 ARG 14 2HH2 ARG 14 17.528 2.785 -0.869
108 HH21 ARG 14 2HH1 ARG 14 15.827 5.663 0.090
109 HH22 ARG 14 1HH1 ARG 14 17.191 5.032 -0.773
110 H CYS 15 H CYS 15 10.237 1.440 1.166
111 HA CYS 15 HA CYS 15 11.105 -1.320 0.394
112 HB2 CYS 15 2HB CYS 15 8.367 -0.100 0.830
113 HB3 CYS 15 1HB CYS 15 8.657 -1.772 0.360
114 H GLY 16 H GLY 16 10.881 -1.922 -1.779
115 HA2 GLY 16 2HA GLY 16 10.427 0.319 -3.672
116 HA3 GLY 16 1HA GLY 16 11.315 -1.151 -4.038
117 H TYR 17 H TYR 17 8.715 -2.354 -2.457
118 HA TYR 17 HA TYR 17 7.003 -2.377 -4.918
119 HB2 TYR 17 2HB TYR 17 8.617 -4.405 -4.066
120 HB3 TYR 17 1HB TYR 17 7.119 -4.805 -3.229
121 HD1 TYR 17 HD1 TYR 17 8.534 -3.991 -6.585
122 HD2 TYR 17 HD2 TYR 17 5.294 -5.762 -4.391
123 HE1 TYR 17 HE1 TYR 17 7.595 -4.889 -8.696
124 HE2 TYR 17 HE2 TYR 17 4.354 -6.660 -6.503
125 HH TYR 17 HH TYR 17 5.794 -7.188 -9.074
126 H TYR 18 H TYR 18 4.766 -2.384 -4.524
127 HA TYR 18 HA TYR 18 3.767 -2.724 -1.767
128 HB2 TYR 18 2HB TYR 18 3.087 -0.501 -1.468
129 HB3 TYR 18 1HB TYR 18 4.615 -0.291 -2.315
130 HD1 TYR 18 HD1 TYR 18 4.587 0.078 -4.831
131 HD2 TYR 18 HD2 TYR 18 1.036 0.229 -2.417
132 HE1 TYR 18 HE1 TYR 18 3.407 1.297 -6.640
133 HE2 TYR 18 HE2 TYR 18 -0.143 1.447 -4.226
134 HH TYR 18 HH TYR 18 0.352 1.504 -7.034
135 H VAL 19 H VAL 19 1.561 -3.288 -1.731
136 HA VAL 19 HA VAL 19 0.218 -3.553 -4.406
137 HB VAL 19 HB VAL 19 0.044 -5.338 -1.949
138 HG11 VAL 19 1HG1 VAL 19 -1.986 -5.462 -3.259
139 HG12 VAL 19 2HG1 VAL 19 -1.036 -6.909 -3.592
140 HG13 VAL 19 3HG1 VAL 19 -1.065 -5.587 -4.758
141 HG21 VAL 19 3HG2 VAL 19 2.238 -5.612 -2.875
142 HG22 VAL 19 1HG2 VAL 19 1.620 -5.564 -4.526
143 HG23 VAL 19 2HG2 VAL 19 1.281 -6.956 -3.497
144 H SER 20 H SER 20 -1.379 -1.976 -4.413
145 HA SER 20 HA SER 20 -3.012 -1.639 -1.917
146 HB2 SER 20 2HB SER 20 -3.313 0.699 -2.738
147 HB3 SER 20 1HB SER 20 -1.621 0.299 -2.478
148 HG SER 20 HG SER 20 -3.048 0.357 -4.935
149 H VAL 21 H VAL 21 -5.232 -1.802 -2.116
150 HA VAL 21 HA VAL 21 -6.490 -1.827 -4.811
151 HB VAL 21 HB VAL 21 -6.031 -4.158 -2.987
152 HG11 VAL 21 1HG1 VAL 21 -8.567 -3.759 -4.599
153 HG12 VAL 21 2HG1 VAL 21 -8.444 -4.043 -2.863
154 HG13 VAL 21 3HG1 VAL 21 -8.021 -5.323 -3.998
155 HG21 VAL 21 3HG2 VAL 21 -4.853 -4.536 -4.905
156 HG22 VAL 21 1HG2 VAL 21 -5.877 -3.470 -5.866
157 HG23 VAL 21 2HG2 VAL 21 -6.406 -5.114 -5.510
158 H LEU 22 H LEU 22 -8.705 -1.277 -4.714
159 HA LEU 22 HA LEU 22 -9.832 -0.733 -1.985
160 HB2 LEU 22 2HB LEU 22 -9.027 1.141 -3.770
161 HB3 LEU 22 1HB LEU 22 -10.672 0.879 -4.347
162 HG LEU 22 HG LEU 22 -10.142 1.294 -1.412
163 HD11 LEU 22 1HD1 LEU 22 -10.368 3.394 -3.578
164 HD12 LEU 22 2HD1 LEU 22 -9.101 3.226 -2.362
165 HD13 LEU 22 3HD1 LEU 22 -10.721 3.737 -1.884
166 HD21 LEU 22 3HD2 LEU 22 -12.490 1.788 -3.271
167 HD22 LEU 22 1HD2 LEU 22 -12.471 2.223 -1.562
168 HD23 LEU 22 2HD2 LEU 22 -12.365 0.530 -2.041
169 H TYR 23 H TYR 23 -11.703 -1.884 -1.645
170 HA TYR 23 HA TYR 23 -13.523 -2.418 -3.943
171 HB2 TYR 23 2HB TYR 23 -12.130 -4.333 -4.015
172 HB3 TYR 23 1HB TYR 23 -12.031 -4.423 -2.261
173 HD1 TYR 23 HD2 TYR 23 -14.989 -4.080 -4.552
174 HD2 TYR 23 HD1 TYR 23 -12.969 -6.457 -1.597
175 HE1 TYR 23 HE2 TYR 23 -16.902 -5.656 -4.508
176 HE2 TYR 23 HE1 TYR 23 -14.880 -8.033 -1.559
177 HH TYR 23 HH TYR 23 -16.891 -8.533 -3.633
178 H ARG 24 H ARG 24 -15.638 -2.295 -3.318
179 HA ARG 24 HA ARG 24 -17.526 -1.986 -1.962
180 HB2 ARG 24 2HB ARG 24 -16.470 -4.381 -1.502
181 HB3 ARG 24 1HB ARG 24 -16.206 -3.700 0.102
182 HG2 ARG 24 2HG ARG 24 -18.634 -3.057 0.163
183 HG3 ARG 24 1HG ARG 24 -18.851 -3.915 -1.362
184 HD2 ARG 24 2HD ARG 24 -17.602 -5.317 1.005
185 HD3 ARG 24 1HD ARG 24 -19.365 -5.219 0.834
186 HE ARG 24 HE ARG 24 -17.590 -6.817 -0.835
187 HH11 ARG 24 2HH1 ARG 24 -20.414 -7.570 -0.201
188 HH12 ARG 24 1HH1 ARG 24 -21.215 -7.302 -1.713
189 HH21 ARG 24 1HH2 ARG 24 -18.653 -5.351 -3.022
190 HH22 ARG 24 2HH2 ARG 24 -20.214 -6.039 -3.317
191 H GLY 25 H GLY 25 -15.086 -0.203 -1.503
192 HA2 GLY 25 2HA GLY 25 -14.881 1.733 -0.144
193 HA3 GLY 25 1HA GLY 25 -16.111 1.075 0.931
194 H ARG 26 H ARG 26 -13.588 -1.132 0.153
195 HA ARG 26 HA ARG 26 -12.335 -0.632 2.826
196 HB2 ARG 26 2HB ARG 26 -13.724 -2.746 2.345
197 HB3 ARG 26 1HB ARG 26 -12.415 -3.224 1.266
198 HG2 ARG 26 2HG ARG 26 -11.096 -3.840 2.990
199 HG3 ARG 26 1HG ARG 26 -11.407 -2.335 3.855
200 HD2 ARG 26 2HD ARG 26 -13.717 -4.179 3.795
201 HD3 ARG 26 1HD ARG 26 -12.313 -4.786 4.694
202 HE ARG 26 HE ARG 26 -13.096 -1.977 5.216
203 HH11 ARG 26 1HH2 ARG 26 -11.364 -3.763 6.979
204 HH12 ARG 26 2HH2 ARG 26 -12.457 -4.117 8.275
205 HH21 ARG 26 2HH1 ARG 26 -15.277 -3.091 6.517
206 HH22 ARG 26 1HH1 ARG 26 -14.685 -3.735 8.011
207 H CYS 27 H CYS 27 -10.081 -0.452 2.866
208 HA CYS 27 HA CYS 27 -8.740 -0.463 0.202
209 HB2 CYS 27 2HB CYS 27 -8.945 1.585 1.812
210 HB3 CYS 27 1HB CYS 27 -7.665 0.785 2.725
211 H TYR 28 H TYR 28 -7.389 -2.105 -0.188
212 HA TYR 28 HA TYR 28 -6.237 -3.685 2.070
213 HB2 TYR 28 2HB TYR 28 -6.537 -4.358 -0.881
214 HB3 TYR 28 1HB TYR 28 -6.124 -5.480 0.414
215 HD1 TYR 28 HD1 TYR 28 -8.828 -3.394 -1.029
216 HD2 TYR 28 HD2 TYR 28 -7.813 -6.365 1.899
217 HE1 TYR 28 HE1 TYR 28 -11.235 -3.802 -0.612
218 HE2 TYR 28 HE2 TYR 28 -10.223 -6.777 2.313
219 HH TYR 28 HH TYR 28 -12.495 -6.298 0.583
220 H CYS 29 H CYS 29 -4.267 -2.643 2.503
221 HA CYS 29 HA CYS 29 -2.522 -1.970 0.165
222 HB2 CYS 29 2HB CYS 29 -2.812 -0.930 2.983
223 HB3 CYS 29 1HB CYS 29 -1.409 -0.533 1.990
224 H LYS 30 H LYS 30 -0.303 -2.530 0.237
225 HA LYS 30 HA LYS 30 0.693 -4.276 2.411
226 HB2 LYS 30 2HB LYS 30 -0.450 -5.224 -0.040
227 HB3 LYS 30 1HB LYS 30 1.281 -5.561 -0.078
228 HG2 LYS 30 2HG LYS 30 1.188 -6.800 1.958
229 HG3 LYS 30 1HG LYS 30 -0.433 -6.212 2.325
230 HD2 LYS 30 2HD LYS 30 -1.400 -7.835 1.092
231 HD3 LYS 30 1HD LYS 30 -0.331 -7.528 -0.275
232 HE2 LYS 30 2HE LYS 30 0.715 -8.981 2.158
233 HE3 LYS 30 1HE LYS 30 -0.175 -9.859 0.899
234 HZ1 LYS 30 3HZ LYS 30 2.071 -9.881 0.224
235 HZ2 LYS 30 1HZ LYS 30 2.292 -8.241 0.590
236 HZ3 LYS 30 2HZ LYS 30 1.329 -8.692 -0.735
237 H CYS 31 H CYS 31 3.009 -4.518 2.319
238 HA CYS 31 HA CYS 31 4.451 -2.752 0.366
239 HB2 CYS 31 2HB CYS 31 3.956 -1.669 2.593
240 HB3 CYS 31 1HB CYS 31 4.882 -2.952 3.358
241 H LEU 32 H LEU 32 6.252 -3.771 -0.475
242 HA LEU 32 HA LEU 32 7.483 -6.039 1.021
243 HB2 LEU 32 2HB LEU 32 6.203 -6.033 -1.708
244 HB3 LEU 32 1HB LEU 32 7.487 -7.180 -1.339
245 HG LEU 32 HG LEU 32 5.018 -6.854 0.385
246 HD11 LEU 32 1HD1 LEU 32 4.209 -7.627 -1.730
247 HD12 LEU 32 2HD1 LEU 32 4.360 -9.062 -0.715
248 HD13 LEU 32 3HD1 LEU 32 5.584 -8.712 -1.936
249 HD21 LEU 32 3HD2 LEU 32 7.142 -9.014 0.172
250 HD22 LEU 32 1HD2 LEU 32 5.731 -9.081 1.227
251 HD23 LEU 32 2HD2 LEU 32 6.973 -7.858 1.493
252 H ARG 33 H ARG 33 9.473 -6.823 -0.464
253 HA ARG 33 HA ARG 33 11.640 -6.276 -1.210
254 HB2 ARG 33 2HB ARG 33 9.949 -4.192 -2.635
255 HB3 ARG 33 1HB ARG 33 11.617 -4.568 -3.051
256 HG2 ARG 33 2HG ARG 33 9.462 -6.689 -2.976
257 HG3 ARG 33 1HG ARG 33 9.810 -5.755 -4.430
258 HD2 ARG 33 2HD ARG 33 12.323 -6.503 -3.861
259 HD3 ARG 33 1HD ARG 33 11.467 -7.853 -3.091
260 HE ARG 33 HE ARG 33 10.157 -7.782 -5.440
261 HH11 ARG 33 1HH2 ARG 33 12.286 -6.114 -6.699
262 HH12 ARG 33 2HH2 ARG 33 13.353 -7.307 -7.361
263 HH21 ARG 33 2HH1 ARG 33 12.059 -9.905 -5.445
264 HH22 ARG 33 1HH1 ARG 33 13.223 -9.462 -6.649
265 H CYS 34 HN CYS 34 11.470 -5.446 1.293
266 HA CYS 34 HA CYS 34 12.139 -2.544 1.394
267 HB2 CYS 34 2HB CYS 34 11.455 -4.534 3.579
268 HB3 CYS 34 1HB CYS 34 11.607 -2.790 3.782
Start of MODEL 12
1 H1 SER 1 1H SER 1 -6.854 6.470 -4.302
2 H2 SER 1 2H SER 1 -5.367 7.065 -4.869
3 H3 SER 1 3H SER 1 -6.803 7.913 -5.193
4 HA SER 1 HA SER 1 -5.484 8.958 -3.400
5 HB2 SER 1 2HB SER 1 -8.158 7.736 -2.637
6 HB3 SER 1 1HB SER 1 -7.471 9.214 -1.970
7 HG SER 1 HG SER 1 -8.275 10.209 -3.627
8 H CYS 2 H CYS 2 -7.113 5.992 -2.167
9 HA CYS 2 HA CYS 2 -5.638 5.789 0.255
10 HB2 CYS 2 2HB CYS 2 -7.758 4.553 -0.774
11 HB3 CYS 2 1HB CYS 2 -6.551 3.358 -1.249
12 H ALA 3 H ALA 3 -5.027 4.327 -2.950
13 HA ALA 3 HA ALA 3 -2.725 2.784 -2.289
14 HB1 ALA 3 3HB ALA 3 -2.313 2.948 -4.742
15 HB2 ALA 3 1HB ALA 3 -3.505 4.245 -4.836
16 HB3 ALA 3 2HB ALA 3 -4.008 2.616 -4.383
17 H SER 4 H SER 4 -3.056 6.218 -3.182
18 HA SER 4 HA SER 4 -0.271 6.818 -3.474
19 HB2 SER 4 2HB SER 4 -2.334 8.730 -2.384
20 HB3 SER 4 1HB SER 4 -1.020 9.059 -3.508
21 HG SER 4 HG SER 4 -2.243 8.419 -5.108
22 H ARG 5 H ARG 5 -2.443 6.951 -0.645
23 HA ARG 5 HA ARG 5 -0.473 7.988 1.201
24 HB2 ARG 5 2HB ARG 5 -3.018 7.965 1.398
25 HB3 ARG 5 1HB ARG 5 -2.892 6.253 1.797
26 HG2 ARG 5 2HG ARG 5 -2.599 6.893 3.941
27 HG3 ARG 5 1HG ARG 5 -1.010 7.484 3.456
28 HD2 ARG 5 2HD ARG 5 -2.160 9.330 4.529
29 HD3 ARG 5 1HD ARG 5 -2.163 9.668 2.786
30 HE ARG 5 HE ARG 5 -4.484 8.285 4.079
31 HH11 ARG 5 2HH1 ARG 5 -4.682 11.233 4.258
32 HH12 ARG 5 1HH1 ARG 5 -5.494 11.657 2.788
33 HH21 ARG 5 1HH2 ARG 5 -4.848 8.610 1.247
34 HH22 ARG 5 2HH2 ARG 5 -5.589 10.166 1.077
35 H CYS 6 H CYS 6 -1.571 4.710 0.358
36 HA CYS 6 HA CYS 6 0.055 3.312 2.286
37 HB2 CYS 6 2HB CYS 6 -1.202 2.555 -0.367
38 HB3 CYS 6 1HB CYS 6 -0.460 1.386 0.726
39 H LYS 7 H LYS 7 0.613 4.471 -1.015
40 HA LYS 7 HA LYS 7 3.063 3.094 -1.564
41 HB2 LYS 7 2HB LYS 7 1.577 4.379 -3.156
42 HB3 LYS 7 1HB LYS 7 2.171 5.868 -2.428
43 HG2 LYS 7 2HG LYS 7 3.850 5.797 -3.933
44 HG3 LYS 7 1HG LYS 7 4.495 4.442 -3.007
45 HD2 LYS 7 2HD LYS 7 3.982 2.975 -4.640
46 HD3 LYS 7 1HD LYS 7 2.336 3.593 -4.767
47 HE2 LYS 7 2HE LYS 7 3.060 5.388 -6.244
48 HE3 LYS 7 1HE LYS 7 4.761 4.930 -6.023
49 HZ1 LYS 7 3HZ LYS 7 3.718 3.962 -8.050
50 HZ2 LYS 7 1HZ LYS 7 2.665 3.084 -7.049
51 HZ3 LYS 7 2HZ LYS 7 4.341 2.799 -6.980
52 H GLY 8 H GLY 8 2.382 6.271 -0.072
53 HA2 GLY 8 2HA GLY 8 5.101 7.049 0.344
54 HA3 GLY 8 1HA GLY 8 3.722 7.665 1.255
55 H HIS 9 H HIS 9 2.818 5.184 2.346
56 HA HIS 9 HA HIS 9 4.430 4.951 4.695
57 HB2 HIS 9 2HB HIS 9 1.972 4.359 4.282
58 HB3 HIS 9 1HB HIS 9 2.554 2.868 3.544
59 HD1 HIS 9 HD1 HIS 9 4.091 1.317 5.151
60 HD2 HIS 9 HD2 HIS 9 1.859 4.276 7.061
61 HE1 HIS 9 HE1 HIS 9 4.021 0.692 7.606
62 H CYS 10 H CYS 10 4.211 2.892 1.784
63 HA CYS 10 HA CYS 10 6.163 0.939 2.641
64 HB2 CYS 10 2HB CYS 10 4.293 0.997 0.769
65 HB3 CYS 10 1HB CYS 10 5.590 1.643 -0.228
66 H ARG 11 H ARG 11 6.348 3.903 0.649
67 HA ARG 11 HA ARG 11 9.144 3.653 -0.016
68 HB2 ARG 11 2HB ARG 11 6.939 5.377 -0.514
69 HB3 ARG 11 1HB ARG 11 8.224 6.383 0.148
70 HG2 ARG 11 2HG ARG 11 8.811 6.403 -2.095
71 HG3 ARG 11 1HG ARG 11 9.729 5.001 -1.545
72 HD2 ARG 11 2HD ARG 11 7.154 4.008 -2.157
73 HD3 ARG 11 1HD ARG 11 7.583 5.098 -3.489
74 HE ARG 11 HE ARG 11 9.472 2.974 -2.532
75 HH11 ARG 11 2HH1 ARG 11 9.998 5.182 -4.684
76 HH12 ARG 11 1HH1 ARG 11 9.862 4.232 -6.125
77 HH21 ARG 11 1HH2 ARG 11 8.363 1.535 -4.517
78 HH22 ARG 11 2HH2 ARG 11 8.931 2.157 -6.031
79 H ALA 12 H ALA 12 7.373 5.178 2.675
80 HA ALA 12 HA ALA 12 9.572 6.543 3.904
81 HB1 ALA 12 3HB ALA 12 7.203 6.919 4.450
82 HB2 ALA 12 1HB ALA 12 8.078 6.438 5.904
83 HB3 ALA 12 2HB ALA 12 7.066 5.269 5.058
84 H ARG 13 H ARG 13 8.483 3.181 4.006
85 HA ARG 13 HA ARG 13 10.410 2.455 6.122
86 HB2 ARG 13 2HB ARG 13 8.016 1.385 4.830
87 HB3 ARG 13 1HB ARG 13 9.267 0.155 5.017
88 HG2 ARG 13 2HG ARG 13 7.848 0.198 7.011
89 HG3 ARG 13 1HG ARG 13 9.470 0.754 7.420
90 HD2 ARG 13 2HD ARG 13 8.774 2.923 7.807
91 HD3 ARG 13 1HD ARG 13 7.492 2.838 6.582
92 HE ARG 13 HE ARG 13 6.044 1.917 8.220
93 HH11 ARG 13 2HH1 ARG 13 7.347 3.478 10.325
94 HH12 ARG 13 1HH1 ARG 13 7.861 2.279 11.462
95 HH21 ARG 13 1HH2 ARG 13 7.562 -0.354 9.210
96 HH22 ARG 13 2HH2 ARG 13 7.982 0.098 10.828
97 H ARG 14 H ARG 14 10.870 3.211 2.992
98 HA ARG 14 HA ARG 14 12.576 2.749 1.447
99 HB2 ARG 14 2HB ARG 14 13.753 2.528 3.769
100 HB3 ARG 14 1HB ARG 14 13.687 0.795 3.457
101 HG2 ARG 14 2HG ARG 14 14.619 1.804 1.054
102 HG3 ARG 14 1HG ARG 14 15.402 2.846 2.240
103 HD2 ARG 14 2HD ARG 14 16.006 0.643 3.484
104 HD3 ARG 14 1HD ARG 14 15.620 -0.154 1.946
105 HE ARG 14 HE ARG 14 17.882 1.677 2.418
106 HH11 ARG 14 2HH1 ARG 14 17.701 -0.958 0.780
107 HH12 ARG 14 1HH1 ARG 14 17.939 -0.341 -0.821
108 HH21 ARG 14 1HH2 ARG 14 17.359 2.966 0.086
109 HH22 ARG 14 2HH2 ARG 14 17.744 1.889 -1.216
110 H CYS 15 H CYS 15 10.288 1.452 0.865
111 HA CYS 15 HA CYS 15 11.096 -1.373 0.284
112 HB2 CYS 15 2HB CYS 15 8.373 -0.100 0.671
113 HB3 CYS 15 1HB CYS 15 8.645 -1.799 0.307
114 H GLY 16 H GLY 16 10.861 -2.091 -1.844
115 HA2 GLY 16 2HA GLY 16 10.341 0.032 -3.861
116 HA3 GLY 16 1HA GLY 16 11.263 -1.439 -4.155
117 H TYR 17 H TYR 17 8.560 -2.332 -2.382
118 HA TYR 17 HA TYR 17 6.876 -2.703 -4.830
119 HB2 TYR 17 2HB TYR 17 8.508 -4.622 -3.936
120 HB3 TYR 17 1HB TYR 17 7.168 -4.900 -2.828
121 HD1 TYR 17 HD2 TYR 17 4.940 -5.547 -3.673
122 HD2 TYR 17 HD1 TYR 17 8.297 -5.055 -6.308
123 HE1 TYR 17 HE2 TYR 17 3.716 -6.756 -5.460
124 HE2 TYR 17 HE1 TYR 17 7.075 -6.265 -8.092
125 HH TYR 17 HH TYR 17 4.115 -6.622 -8.374
126 H TYR 18 H TYR 18 4.652 -2.613 -4.401
127 HA TYR 18 HA TYR 18 3.655 -2.781 -1.632
128 HB2 TYR 18 2HB TYR 18 3.053 -0.522 -1.413
129 HB3 TYR 18 1HB TYR 18 4.594 -0.399 -2.254
130 HD1 TYR 18 HD1 TYR 18 4.486 -0.385 -4.873
131 HD2 TYR 18 HD2 TYR 18 1.152 0.506 -2.315
132 HE1 TYR 18 HE1 TYR 18 3.364 0.786 -6.744
133 HE2 TYR 18 HE2 TYR 18 0.028 1.684 -4.184
134 HH TYR 18 HH TYR 18 0.180 2.340 -6.318
135 H VAL 19 H VAL 19 1.486 -3.409 -1.614
136 HA VAL 19 HA VAL 19 0.131 -3.620 -4.285
137 HB VAL 19 HB VAL 19 -0.096 -5.361 -1.803
138 HG11 VAL 19 1HG1 VAL 19 -1.264 -6.911 -3.406
139 HG12 VAL 19 2HG1 VAL 19 -1.264 -5.603 -4.587
140 HG13 VAL 19 3HG1 VAL 19 -2.152 -5.425 -3.074
141 HG21 VAL 19 3HG2 VAL 19 1.054 -7.044 -3.340
142 HG22 VAL 19 1HG2 VAL 19 2.071 -5.722 -2.766
143 HG23 VAL 19 2HG2 VAL 19 1.419 -5.687 -4.405
144 H SER 20 H SER 20 -1.394 -1.980 -4.335
145 HA SER 20 HA SER 20 -3.058 -1.547 -1.873
146 HB2 SER 20 2HB SER 20 -3.280 0.776 -2.724
147 HB3 SER 20 1HB SER 20 -1.593 0.340 -2.488
148 HG SER 20 HG SER 20 -3.074 0.449 -4.907
149 H VAL 21 H VAL 21 -5.236 -1.892 -2.099
150 HA VAL 21 HA VAL 21 -6.466 -1.849 -4.816
151 HB VAL 21 HB VAL 21 -6.001 -4.189 -3.015
152 HG11 VAL 21 1HG1 VAL 21 -8.369 -4.219 -2.835
153 HG12 VAL 21 2HG1 VAL 21 -8.004 -5.330 -4.155
154 HG13 VAL 21 3HG1 VAL 21 -8.584 -3.704 -4.508
155 HG21 VAL 21 3HG2 VAL 21 -6.341 -3.812 -6.006
156 HG22 VAL 21 1HG2 VAL 21 -5.937 -5.342 -5.226
157 HG23 VAL 21 2HG2 VAL 21 -4.814 -3.985 -5.142
158 H LEU 22 H LEU 22 -8.413 -0.793 -4.692
159 HA LEU 22 HA LEU 22 -9.711 -0.520 -2.004
160 HB2 LEU 22 2HB LEU 22 -8.837 1.402 -3.713
161 HB3 LEU 22 1HB LEU 22 -10.480 1.189 -4.317
162 HG LEU 22 HG LEU 22 -9.909 1.542 -1.371
163 HD11 LEU 22 1HD1 LEU 22 -10.444 3.938 -1.677
164 HD12 LEU 22 2HD1 LEU 22 -10.504 3.699 -3.424
165 HD13 LEU 22 3HD1 LEU 22 -8.982 3.494 -2.557
166 HD21 LEU 22 3HD2 LEU 22 -12.289 2.384 -1.455
167 HD22 LEU 22 1HD2 LEU 22 -12.114 0.685 -1.893
168 HD23 LEU 22 2HD2 LEU 22 -12.340 1.900 -3.151
169 H TYR 23 H TYR 23 -11.271 -2.113 -1.867
170 HA TYR 23 HA TYR 23 -13.204 -2.354 -4.147
171 HB2 TYR 23 2HB TYR 23 -11.381 -4.144 -4.006
172 HB3 TYR 23 1HB TYR 23 -12.142 -4.651 -2.497
173 HD1 TYR 23 HD1 TYR 23 -12.685 -4.234 -6.150
174 HD2 TYR 23 HD2 TYR 23 -14.196 -5.876 -2.479
175 HE1 TYR 23 HE1 TYR 23 -14.368 -5.534 -7.424
176 HE2 TYR 23 HE2 TYR 23 -15.879 -7.177 -3.754
177 HH TYR 23 HH TYR 23 -15.793 -8.027 -6.574
178 H ARG 24 H ARG 24 -15.349 -2.662 -3.514
179 HA ARG 24 HA ARG 24 -17.229 -2.587 -2.105
180 HB2 ARG 24 2HB ARG 24 -15.852 -4.803 -1.639
181 HB3 ARG 24 1HB ARG 24 -15.597 -4.052 -0.065
182 HG2 ARG 24 2HG ARG 24 -18.186 -3.648 -0.131
183 HG3 ARG 24 1HG ARG 24 -18.173 -4.928 -1.345
184 HD2 ARG 24 2HD ARG 24 -18.507 -6.049 0.748
185 HD3 ARG 24 1HD ARG 24 -16.790 -6.292 0.368
186 HE ARG 24 HE ARG 24 -16.281 -4.383 1.889
187 HH11 ARG 24 2HH1 ARG 24 -17.668 -6.566 3.488
188 HH12 ARG 24 1HH1 ARG 24 -18.820 -5.643 4.397
189 HH21 ARG 24 1HH2 ARG 24 -18.528 -2.819 2.392
190 HH22 ARG 24 2HH2 ARG 24 -19.307 -3.512 3.775
191 H GLY 25 H GLY 25 -15.168 -0.422 -1.824
192 HA2 GLY 25 2HA GLY 25 -14.988 1.507 -0.493
193 HA3 GLY 25 1HA GLY 25 -16.241 0.841 0.552
194 H ARG 26 H ARG 26 -13.497 -1.183 -0.060
195 HA ARG 26 HA ARG 26 -12.429 -0.559 2.666
196 HB2 ARG 26 2HB ARG 26 -13.612 -2.880 1.648
197 HB3 ARG 26 1HB ARG 26 -11.885 -3.221 1.587
198 HG2 ARG 26 2HG ARG 26 -12.468 -3.903 3.757
199 HG3 ARG 26 1HG ARG 26 -11.848 -2.271 4.014
200 HD2 ARG 26 2HD ARG 26 -14.030 -1.356 4.254
201 HD3 ARG 26 1HD ARG 26 -14.795 -2.789 3.540
202 HE ARG 26 HE ARG 26 -13.277 -2.994 6.113
203 HH11 ARG 26 1HH2 ARG 26 -14.697 -5.298 4.621
204 HH12 ARG 26 2HH2 ARG 26 -16.131 -5.458 5.579
205 HH21 ARG 26 2HH1 ARG 26 -15.725 -2.389 7.163
206 HH22 ARG 26 1HH1 ARG 26 -16.714 -3.805 7.030
207 H CYS 27 H CYS 27 -10.140 -0.493 2.843
208 HA CYS 27 HA CYS 27 -8.707 -0.362 0.228
209 HB2 CYS 27 2HB CYS 27 -8.937 1.626 1.840
210 HB3 CYS 27 1HB CYS 27 -7.821 0.756 2.893
211 H TYR 28 H TYR 28 -7.379 -2.021 -0.205
212 HA TYR 28 HA TYR 28 -6.270 -3.680 2.022
213 HB2 TYR 28 2HB TYR 28 -6.720 -4.185 -0.941
214 HB3 TYR 28 1HB TYR 28 -6.012 -5.356 0.167
215 HD1 TYR 28 HD1 TYR 28 -9.100 -3.516 -0.721
216 HD2 TYR 28 HD2 TYR 28 -7.359 -6.527 1.798
217 HE1 TYR 28 HE1 TYR 28 -11.366 -4.254 -0.038
218 HE2 TYR 28 HE2 TYR 28 -9.626 -7.265 2.483
219 HH TYR 28 HH TYR 28 -12.277 -6.728 0.923
220 H CYS 29 H CYS 29 -4.351 -2.536 2.501
221 HA CYS 29 HA CYS 29 -2.534 -1.901 0.212
222 HB2 CYS 29 2HB CYS 29 -2.963 -0.805 2.984
223 HB3 CYS 29 1HB CYS 29 -1.477 -0.459 2.098
224 H LYS 30 H LYS 30 -0.351 -2.517 0.304
225 HA LYS 30 HA LYS 30 0.613 -4.196 2.551
226 HB2 LYS 30 2HB LYS 30 -0.282 -5.113 -0.112
227 HB3 LYS 30 1HB LYS 30 1.299 -5.726 0.370
228 HG2 LYS 30 2HG LYS 30 0.411 -6.696 2.374
229 HG3 LYS 30 1HG LYS 30 -1.126 -5.854 2.176
230 HD2 LYS 30 2HD LYS 30 -0.965 -7.195 -0.198
231 HD3 LYS 30 1HD LYS 30 -0.153 -8.328 0.882
232 HE2 LYS 30 2HE LYS 30 -2.715 -7.115 1.850
233 HE3 LYS 30 1HE LYS 30 -2.815 -8.369 0.599
234 HZ1 LYS 30 3HZ LYS 30 -1.327 -8.584 3.167
235 HZ2 LYS 30 1HZ LYS 30 -1.359 -9.768 1.954
236 HZ3 LYS 30 2HZ LYS 30 -2.783 -9.376 2.792
237 H CYS 31 H CYS 31 2.932 -4.449 2.490
238 HA CYS 31 HA CYS 31 4.392 -2.745 0.495
239 HB2 CYS 31 2HB CYS 31 3.910 -1.631 2.719
240 HB3 CYS 31 1HB CYS 31 4.855 -2.899 3.486
241 H LEU 32 H LEU 32 6.154 -3.831 -0.353
242 HA LEU 32 HA LEU 32 7.358 -6.079 1.198
243 HB2 LEU 32 2HB LEU 32 6.044 -6.108 -1.508
244 HB3 LEU 32 1HB LEU 32 7.335 -7.252 -1.157
245 HG LEU 32 HG LEU 32 4.873 -6.904 0.576
246 HD11 LEU 32 1HD1 LEU 32 4.242 -7.754 -1.640
247 HD12 LEU 32 2HD1 LEU 32 4.129 -9.043 -0.441
248 HD13 LEU 32 3HD1 LEU 32 5.504 -8.982 -1.543
249 HD21 LEU 32 3HD2 LEU 32 7.185 -8.858 0.511
250 HD22 LEU 32 1HD2 LEU 32 5.675 -9.222 1.344
251 HD23 LEU 32 2HD2 LEU 32 6.655 -7.849 1.856
252 H ARG 33 H ARG 33 9.330 -6.937 -0.194
253 HA ARG 33 HA ARG 33 11.510 -6.483 -0.958
254 HB2 ARG 33 2HB ARG 33 9.974 -4.392 -2.543
255 HB3 ARG 33 1HB ARG 33 11.544 -5.068 -2.968
256 HG2 ARG 33 2HG ARG 33 9.026 -6.731 -2.659
257 HG3 ARG 33 1HG ARG 33 9.605 -6.111 -4.203
258 HD2 ARG 33 2HD ARG 33 11.604 -7.428 -4.098
259 HD3 ARG 33 1HD ARG 33 11.331 -7.827 -2.391
260 HE ARG 33 HE ARG 33 9.268 -8.640 -4.385
261 HH11 ARG 33 1HH2 ARG 33 9.465 -9.480 -1.428
262 HH12 ARG 33 2HH2 ARG 33 10.037 -11.108 -1.594
263 HH21 ARG 33 2HH1 ARG 33 10.995 -10.709 -4.913
264 HH22 ARG 33 1HH1 ARG 33 10.908 -11.806 -3.576
265 H CYS 34 HN CYS 34 11.400 -5.480 1.460
266 HA CYS 34 HA CYS 34 12.113 -2.586 1.349
267 HB2 CYS 34 2HB CYS 34 11.404 -4.403 3.676
268 HB3 CYS 34 1HB CYS 34 11.599 -2.653 3.756
Start of MODEL 13
1 H1 SER 1 1H SER 1 -6.723 8.049 -5.402
2 H2 SER 1 2H SER 1 -6.781 6.603 -4.512
3 H3 SER 1 3H SER 1 -5.299 7.170 -5.123
4 HA SER 1 HA SER 1 -5.322 9.052 -3.640
5 HB2 SER 1 2HB SER 1 -7.992 7.916 -2.747
6 HB3 SER 1 1HB SER 1 -7.258 9.425 -2.210
7 HG SER 1 HG SER 1 -8.547 10.092 -3.800
8 H CYS 2 H CYS 2 -7.010 6.128 -2.384
9 HA CYS 2 HA CYS 2 -5.456 5.879 -0.004
10 HB2 CYS 2 2HB CYS 2 -7.691 4.779 -0.872
11 HB3 CYS 2 1HB CYS 2 -6.610 3.522 -1.472
12 H ALA 3 H ALA 3 -4.979 4.526 -3.259
13 HA ALA 3 HA ALA 3 -2.834 2.735 -2.672
14 HB1 ALA 3 3HB ALA 3 -4.207 2.860 -4.763
15 HB2 ALA 3 1HB ALA 3 -2.473 2.843 -5.092
16 HB3 ALA 3 2HB ALA 3 -3.373 4.357 -5.180
17 H SER 4 H SER 4 -2.794 6.194 -3.600
18 HA SER 4 HA SER 4 0.071 6.445 -3.726
19 HB2 SER 4 2HB SER 4 -2.319 8.233 -3.527
20 HB3 SER 4 1HB SER 4 -0.743 8.942 -3.188
21 HG SER 4 HG SER 4 -1.574 7.566 -5.531
22 H ARG 5 H ARG 5 -2.288 6.895 -1.104
23 HA ARG 5 HA ARG 5 -0.494 7.941 0.877
24 HB2 ARG 5 2HB ARG 5 -2.924 8.047 1.055
25 HB3 ARG 5 1HB ARG 5 -3.043 6.294 1.008
26 HG2 ARG 5 2HG ARG 5 -1.333 7.484 3.146
27 HG3 ARG 5 1HG ARG 5 -3.076 7.663 3.320
28 HD2 ARG 5 2HD ARG 5 -1.569 5.041 2.979
29 HD3 ARG 5 1HD ARG 5 -2.403 5.597 4.440
30 HE ARG 5 HE ARG 5 -3.722 4.696 1.937
31 HH11 ARG 5 1HH2 ARG 5 -4.471 3.443 4.479
32 HH12 ARG 5 2HH2 ARG 5 -5.906 4.297 4.940
33 HH21 ARG 5 2HH1 ARG 5 -5.321 6.957 2.778
34 HH22 ARG 5 1HH1 ARG 5 -6.390 6.299 3.971
35 H CYS 6 H CYS 6 -1.519 4.624 0.078
36 HA CYS 6 HA CYS 6 0.038 3.323 2.135
37 HB2 CYS 6 2HB CYS 6 -1.172 2.444 -0.500
38 HB3 CYS 6 1HB CYS 6 -0.448 1.321 0.652
39 H LYS 7 H LYS 7 0.707 4.281 -1.220
40 HA LYS 7 HA LYS 7 3.174 2.849 -1.556
41 HB2 LYS 7 2HB LYS 7 1.584 4.203 -3.190
42 HB3 LYS 7 1HB LYS 7 2.643 5.549 -2.772
43 HG2 LYS 7 2HG LYS 7 3.953 2.974 -3.512
44 HG3 LYS 7 1HG LYS 7 3.188 3.889 -4.811
45 HD2 LYS 7 2HD LYS 7 4.573 5.765 -4.474
46 HD3 LYS 7 1HD LYS 7 5.037 5.246 -2.854
47 HE2 LYS 7 2HE LYS 7 6.910 4.387 -3.825
48 HE3 LYS 7 1HE LYS 7 5.855 3.129 -4.496
49 HZ1 LYS 7 3HZ LYS 7 5.387 4.535 -6.383
50 HZ2 LYS 7 1HZ LYS 7 7.065 4.340 -6.239
51 HZ3 LYS 7 2HZ LYS 7 6.335 5.789 -5.738
52 H GLY 8 H GLY 8 2.397 6.086 -0.258
53 HA2 GLY 8 2HA GLY 8 5.110 6.945 0.126
54 HA3 GLY 8 1HA GLY 8 3.705 7.598 0.971
55 H HIS 9 H HIS 9 2.798 5.191 2.190
56 HA HIS 9 HA HIS 9 4.371 5.101 4.580
57 HB2 HIS 9 2HB HIS 9 1.936 4.514 4.267
58 HB3 HIS 9 1HB HIS 9 2.447 3.030 3.467
59 HD1 HIS 9 HD1 HIS 9 1.633 1.410 5.281
60 HD2 HIS 9 HD2 HIS 9 4.237 4.318 6.748
61 HE1 HIS 9 HE1 HIS 9 2.240 0.706 7.637
62 H CYS 10 H CYS 10 4.136 2.834 1.827
63 HA CYS 10 HA CYS 10 6.064 0.925 2.781
64 HB2 CYS 10 2HB CYS 10 4.265 0.812 0.922
65 HB3 CYS 10 1HB CYS 10 5.453 1.608 -0.102
66 H ARG 11 H ARG 11 6.353 3.794 0.654
67 HA ARG 11 HA ARG 11 9.154 3.506 0.075
68 HB2 ARG 11 2HB ARG 11 7.027 5.214 -0.564
69 HB3 ARG 11 1HB ARG 11 8.171 6.252 0.283
70 HG2 ARG 11 2HG ARG 11 9.709 4.618 -1.448
71 HG3 ARG 11 1HG ARG 11 8.340 5.200 -2.396
72 HD2 ARG 11 2HD ARG 11 9.840 7.140 -0.648
73 HD3 ARG 11 1HD ARG 11 10.497 6.696 -2.236
74 HE ARG 11 HE ARG 11 8.090 7.278 -3.073
75 HH11 ARG 11 1HH2 ARG 11 10.025 9.594 -2.719
76 HH12 ARG 11 2HH2 ARG 11 9.052 10.721 -1.833
77 HH21 ARG 11 2HH1 ARG 11 6.675 8.352 -0.922
78 HH22 ARG 11 1HH1 ARG 11 7.150 10.016 -0.811
79 H ALA 12 H ALA 12 7.360 5.167 2.668
80 HA ALA 12 HA ALA 12 9.635 6.363 3.974
81 HB1 ALA 12 3HB ALA 12 7.284 7.049 4.293
82 HB2 ALA 12 1HB ALA 12 8.002 6.595 5.838
83 HB3 ALA 12 2HB ALA 12 6.917 5.480 5.009
84 H ARG 13 H ARG 13 8.214 3.145 4.028
85 HA ARG 13 HA ARG 13 9.730 2.287 6.400
86 HB2 ARG 13 2HB ARG 13 7.678 1.190 4.521
87 HB3 ARG 13 1HB ARG 13 8.666 0.036 5.418
88 HG2 ARG 13 2HG ARG 13 7.503 2.313 6.955
89 HG3 ARG 13 1HG ARG 13 6.394 1.046 6.430
90 HD2 ARG 13 2HD ARG 13 7.078 0.022 8.375
91 HD3 ARG 13 1HD ARG 13 8.472 -0.461 7.391
92 HE ARG 13 HE ARG 13 8.417 1.887 9.239
93 HH11 ARG 13 2HH1 ARG 13 10.117 -0.870 8.676
94 HH12 ARG 13 1HH1 ARG 13 11.670 -0.132 8.489
95 HH21 ARG 13 1HH2 ARG 13 10.408 3.104 8.342
96 HH22 ARG 13 2HH2 ARG 13 11.838 2.125 8.305
97 H ARG 14 H ARG 14 10.794 3.029 3.440
98 HA ARG 14 HA ARG 14 12.696 2.435 2.201
99 HB2 ARG 14 2HB ARG 14 13.511 2.109 4.607
100 HB3 ARG 14 1HB ARG 14 13.177 0.392 4.384
101 HG2 ARG 14 2HG ARG 14 14.603 0.785 2.157
102 HG3 ARG 14 1HG ARG 14 15.289 2.091 3.126
103 HD2 ARG 14 2HD ARG 14 15.031 -0.701 4.264
104 HD3 ARG 14 1HD ARG 14 16.439 -0.232 3.291
105 HE ARG 14 HE ARG 14 15.745 1.687 5.406
106 HH11 ARG 14 1HH2 ARG 14 18.510 1.221 4.261
107 HH12 ARG 14 2HH2 ARG 14 19.295 0.400 5.569
108 HH21 ARG 14 2HH1 ARG 14 16.324 -0.381 7.200
109 HH22 ARG 14 1HH1 ARG 14 18.051 -0.511 7.243
110 H CYS 15 H CYS 15 10.454 1.416 1.163
111 HA CYS 15 HA CYS 15 11.162 -1.401 0.453
112 HB2 CYS 15 2HB CYS 15 8.439 -0.168 0.953
113 HB3 CYS 15 1HB CYS 15 8.712 -1.822 0.418
114 H GLY 16 H GLY 16 10.977 -1.883 -1.743
115 HA2 GLY 16 2HA GLY 16 10.425 0.432 -3.525
116 HA3 GLY 16 1HA GLY 16 11.399 -0.966 -3.962
117 H TYR 17 H TYR 17 8.579 -1.945 -2.314
118 HA TYR 17 HA TYR 17 6.999 -2.156 -4.837
119 HB2 TYR 17 2HB TYR 17 8.614 -4.122 -4.350
120 HB3 TYR 17 1HB TYR 17 7.502 -4.525 -3.043
121 HD1 TYR 17 HD1 TYR 17 7.908 -4.246 -6.691
122 HD2 TYR 17 HD2 TYR 17 5.245 -5.321 -3.497
123 HE1 TYR 17 HE1 TYR 17 6.394 -5.343 -8.322
124 HE2 TYR 17 HE2 TYR 17 3.733 -6.418 -5.125
125 HH TYR 17 HH TYR 17 4.292 -7.506 -7.707
126 H TYR 18 H TYR 18 4.748 -2.390 -4.460
127 HA TYR 18 HA TYR 18 3.723 -2.792 -1.740
128 HB2 TYR 18 2HB TYR 18 2.905 -0.595 -1.396
129 HB3 TYR 18 1HB TYR 18 4.524 -0.347 -2.041
130 HD1 TYR 18 HD1 TYR 18 4.731 -0.020 -4.616
131 HD2 TYR 18 HD2 TYR 18 1.048 0.389 -2.440
132 HE1 TYR 18 HE1 TYR 18 3.779 1.315 -6.476
133 HE2 TYR 18 HE2 TYR 18 0.095 1.725 -4.299
134 HH TYR 18 HH TYR 18 1.876 3.147 -6.638
135 H VAL 19 H VAL 19 1.468 -3.249 -1.742
136 HA VAL 19 HA VAL 19 0.188 -3.467 -4.452
137 HB VAL 19 HB VAL 19 -0.032 -5.316 -2.045
138 HG11 VAL 19 1HG1 VAL 19 -1.138 -5.461 -4.862
139 HG12 VAL 19 2HG1 VAL 19 -2.056 -5.389 -3.357
140 HG13 VAL 19 3HG1 VAL 19 -1.116 -6.829 -3.748
141 HG21 VAL 19 3HG2 VAL 19 2.164 -5.587 -2.971
142 HG22 VAL 19 1HG2 VAL 19 1.550 -5.496 -4.623
143 HG23 VAL 19 2HG2 VAL 19 1.194 -6.906 -3.625
144 H SER 20 H SER 20 -1.452 -1.943 -4.469
145 HA SER 20 HA SER 20 -3.075 -1.612 -1.967
146 HB2 SER 20 2HB SER 20 -3.366 0.723 -2.705
147 HB3 SER 20 1HB SER 20 -1.657 0.325 -2.580
148 HG SER 20 HG SER 20 -1.500 0.274 -4.745
149 H VAL 21 H VAL 21 -5.303 -1.712 -2.166
150 HA VAL 21 HA VAL 21 -6.558 -1.787 -4.857
151 HB VAL 21 HB VAL 21 -6.073 -4.091 -3.018
152 HG11 VAL 21 1HG1 VAL 21 -8.704 -3.621 -4.436
153 HG12 VAL 21 2HG1 VAL 21 -8.440 -4.067 -2.750
154 HG13 VAL 21 3HG1 VAL 21 -8.130 -5.238 -4.031
155 HG21 VAL 21 3HG2 VAL 21 -6.447 -3.698 -6.000
156 HG22 VAL 21 1HG2 VAL 21 -6.216 -5.281 -5.257
157 HG23 VAL 21 2HG2 VAL 21 -4.949 -4.062 -5.143
158 H LEU 22 H LEU 22 -8.493 -0.698 -4.714
159 HA LEU 22 HA LEU 22 -9.714 -0.344 -2.000
160 HB2 LEU 22 2HB LEU 22 -8.834 1.545 -3.707
161 HB3 LEU 22 1HB LEU 22 -10.461 1.337 -4.356
162 HG LEU 22 HG LEU 22 -9.927 1.772 -1.408
163 HD11 LEU 22 1HD1 LEU 22 -9.081 3.734 -2.549
164 HD12 LEU 22 2HD1 LEU 22 -10.656 4.138 -1.864
165 HD13 LEU 22 3HD1 LEU 22 -10.505 3.797 -3.588
166 HD21 LEU 22 3HD2 LEU 22 -12.372 1.946 -3.192
167 HD22 LEU 22 1HD2 LEU 22 -12.340 2.540 -1.532
168 HD23 LEU 22 2HD2 LEU 22 -12.100 0.824 -1.860
169 H TYR 23 H TYR 23 -11.337 -1.842 -1.769
170 HA TYR 23 HA TYR 23 -13.445 -1.975 -3.865
171 HB2 TYR 23 2HB TYR 23 -11.643 -3.699 -4.289
172 HB3 TYR 23 1HB TYR 23 -12.048 -4.407 -2.725
173 HD1 TYR 23 HD1 TYR 23 -13.484 -3.515 -6.053
174 HD2 TYR 23 HD2 TYR 23 -13.891 -5.866 -2.483
175 HE1 TYR 23 HE1 TYR 23 -15.353 -4.768 -7.092
176 HE2 TYR 23 HE2 TYR 23 -15.761 -7.121 -3.521
177 HH TYR 23 HH TYR 23 -17.524 -6.505 -5.479
178 H ARG 24 H ARG 24 -15.440 -2.921 -3.037
179 HA ARG 24 HA ARG 24 -17.113 -3.155 -1.402
180 HB2 ARG 24 2HB ARG 24 -15.273 -5.065 -1.130
181 HB3 ARG 24 1HB ARG 24 -15.030 -4.273 0.426
182 HG2 ARG 24 2HG ARG 24 -17.349 -4.580 1.027
183 HG3 ARG 24 1HG ARG 24 -17.743 -5.155 -0.594
184 HD2 ARG 24 2HD ARG 24 -15.578 -6.646 0.802
185 HD3 ARG 24 1HD ARG 24 -17.216 -6.850 1.455
186 HE ARG 24 HE ARG 24 -16.373 -7.521 -1.320
187 HH11 ARG 24 2HH1 ARG 24 -17.554 -9.608 0.405
188 HH12 ARG 24 1HH1 ARG 24 -19.216 -9.623 -0.082
189 HH21 ARG 24 1HH2 ARG 24 -19.053 -6.527 -1.654
190 HH22 ARG 24 2HH2 ARG 24 -20.068 -7.872 -1.253
191 H GLY 25 H GLY 25 -15.491 -0.641 -1.357
192 HA2 GLY 25 2HA GLY 25 -15.356 1.276 -0.008
193 HA3 GLY 25 1HA GLY 25 -16.509 0.492 1.074
194 H ARG 26 H ARG 26 -13.390 -0.908 0.206
195 HA ARG 26 HA ARG 26 -12.294 -0.210 2.888
196 HB2 ARG 26 2HB ARG 26 -13.586 -2.484 2.666
197 HB3 ARG 26 1HB ARG 26 -12.140 -3.015 1.808
198 HG2 ARG 26 2HG ARG 26 -10.827 -2.955 3.692
199 HG3 ARG 26 1HG ARG 26 -11.697 -1.584 4.380
200 HD2 ARG 26 2HD ARG 26 -12.819 -4.407 4.228
201 HD3 ARG 26 1HD ARG 26 -12.083 -3.693 5.676
202 HE ARG 26 HE ARG 26 -14.706 -2.996 4.571
203 HH11 ARG 26 2HH1 ARG 26 -13.746 -3.100 7.507
204 HH12 ARG 26 1HH1 ARG 26 -13.850 -1.425 7.931
205 HH21 ARG 26 1HH2 ARG 26 -14.091 -0.338 4.637
206 HH22 ARG 26 2HH2 ARG 26 -14.047 0.146 6.300
207 H CYS 27 H CYS 27 -9.994 -0.211 2.930
208 HA CYS 27 HA CYS 27 -8.727 -0.264 0.232
209 HB2 CYS 27 2HB CYS 27 -8.814 1.791 1.812
210 HB3 CYS 27 1HB CYS 27 -7.596 0.937 2.759
211 H TYR 28 H TYR 28 -7.426 -1.951 -0.201
212 HA TYR 28 HA TYR 28 -6.278 -3.565 2.037
213 HB2 TYR 28 2HB TYR 28 -6.716 -4.194 -0.907
214 HB3 TYR 28 1HB TYR 28 -6.192 -5.341 0.323
215 HD1 TYR 28 HD2 TYR 28 -7.741 -6.161 2.032
216 HD2 TYR 28 HD1 TYR 28 -9.031 -3.387 -0.980
217 HE1 TYR 28 HE2 TYR 28 -10.106 -6.620 2.620
218 HE2 TYR 28 HE1 TYR 28 -11.393 -3.844 -0.393
219 HH TYR 28 HH TYR 28 -12.417 -5.046 2.291
220 H CYS 29 H CYS 29 -4.297 -2.524 2.436
221 HA CYS 29 HA CYS 29 -2.553 -1.936 0.079
222 HB2 CYS 29 2HB CYS 29 -2.822 -0.819 2.866
223 HB3 CYS 29 1HB CYS 29 -1.410 -0.474 1.869
224 H LYS 30 H LYS 30 -0.353 -2.541 0.138
225 HA LYS 30 HA LYS 30 0.613 -4.285 2.338
226 HB2 LYS 30 2HB LYS 30 -0.617 -5.291 0.054
227 HB3 LYS 30 1HB LYS 30 1.099 -5.399 -0.334
228 HG2 LYS 30 2HG LYS 30 1.554 -6.804 1.496
229 HG3 LYS 30 1HG LYS 30 0.074 -6.344 2.336
230 HD2 LYS 30 2HD LYS 30 -1.203 -7.840 1.186
231 HD3 LYS 30 1HD LYS 30 -0.335 -7.572 -0.325
232 HE2 LYS 30 2HE LYS 30 0.984 -9.045 1.963
233 HE3 LYS 30 1HE LYS 30 -0.057 -9.895 0.805
234 HZ1 LYS 30 3HZ LYS 30 2.061 -9.962 -0.160
235 HZ2 LYS 30 1HZ LYS 30 2.417 -8.358 0.263
236 HZ3 LYS 30 2HZ LYS 30 1.288 -8.681 -0.966
237 H CYS 31 H CYS 31 2.928 -4.485 2.318
238 HA CYS 31 HA CYS 31 4.390 -2.695 0.397
239 HB2 CYS 31 2HB CYS 31 3.927 -1.690 2.657
240 HB3 CYS 31 1HB CYS 31 4.811 -3.026 3.380
241 H LEU 32 H LEU 32 6.168 -3.723 -0.511
242 HA LEU 32 HA LEU 32 7.353 -6.076 0.894
243 HB2 LEU 32 2HB LEU 32 6.313 -5.956 -1.954
244 HB3 LEU 32 1HB LEU 32 7.269 -7.287 -1.312
245 HG LEU 32 HG LEU 32 4.680 -6.379 -0.035
246 HD11 LEU 32 1HD1 LEU 32 4.979 -7.617 -2.554
247 HD12 LEU 32 2HD1 LEU 32 3.497 -7.466 -1.610
248 HD13 LEU 32 3HD1 LEU 32 4.510 -8.900 -1.440
249 HD21 LEU 32 3HD2 LEU 32 6.678 -7.980 0.936
250 HD22 LEU 32 1HD2 LEU 32 5.645 -9.170 0.148
251 HD23 LEU 32 2HD2 LEU 32 4.985 -8.124 1.405
252 H ARG 33 H ARG 33 9.313 -6.865 -0.599
253 HA ARG 33 HA ARG 33 11.491 -6.370 -1.344
254 HB2 ARG 33 2HB ARG 33 10.016 -4.085 -2.705
255 HB3 ARG 33 1HB ARG 33 11.535 -4.811 -3.225
256 HG2 ARG 33 2HG ARG 33 8.891 -6.290 -3.042
257 HG3 ARG 33 1HG ARG 33 9.579 -5.644 -4.531
258 HD2 ARG 33 2HD ARG 33 11.512 -7.115 -4.346
259 HD3 ARG 33 1HD ARG 33 10.959 -7.692 -2.760
260 HE ARG 33 HE ARG 33 9.446 -8.138 -5.310
261 HH11 ARG 33 2HH1 ARG 33 11.171 -10.109 -3.504
262 HH12 ARG 33 1HH1 ARG 33 9.883 -11.049 -2.827
263 HH21 ARG 33 1HH2 ARG 33 7.393 -8.842 -3.829
264 HH22 ARG 33 2HH2 ARG 33 7.738 -10.331 -3.015
265 H CYS 34 HN CYS 34 11.370 -5.592 1.173
266 HA CYS 34 HA CYS 34 12.118 -2.716 1.348
267 HB2 CYS 34 2HB CYS 34 11.449 -4.771 3.477
268 HB3 CYS 34 1HB CYS 34 11.653 -3.041 3.745
Start of MODEL 14
1 H1 SER 1 1H SER 1 -7.953 8.786 -1.768
2 H2 SER 1 2H SER 1 -7.460 9.974 -2.879
3 H3 SER 1 3H SER 1 -6.522 9.655 -1.497
4 HA SER 1 HA SER 1 -7.017 7.675 -3.667
5 HB2 SER 1 2HB SER 1 -4.552 9.346 -3.097
6 HB3 SER 1 1HB SER 1 -4.845 8.319 -4.498
7 HG SER 1 HG SER 1 -5.446 10.235 -5.255
8 H CYS 2 H CYS 2 -7.309 6.025 -2.029
9 HA CYS 2 HA CYS 2 -5.616 5.597 0.232
10 HB2 CYS 2 2HB CYS 2 -7.900 4.527 -0.707
11 HB3 CYS 2 1HB CYS 2 -6.780 3.286 -1.263
12 H ALA 3 H ALA 3 -5.433 4.231 -3.082
13 HA ALA 3 HA ALA 3 -3.189 2.544 -2.727
14 HB1 ALA 3 3HB ALA 3 -4.167 4.198 -5.074
15 HB2 ALA 3 1HB ALA 3 -4.548 2.510 -4.729
16 HB3 ALA 3 2HB ALA 3 -2.915 2.964 -5.217
17 H SER 4 H SER 4 -3.306 6.034 -3.499
18 HA SER 4 HA SER 4 -0.470 6.396 -3.830
19 HB2 SER 4 2HB SER 4 -2.472 8.422 -2.803
20 HB3 SER 4 1HB SER 4 -1.035 8.726 -3.774
21 HG SER 4 HG SER 4 -2.026 7.737 -5.508
22 H ARG 5 H ARG 5 -2.632 6.637 -1.007
23 HA ARG 5 HA ARG 5 -0.724 7.637 0.881
24 HB2 ARG 5 2HB ARG 5 -3.194 5.883 1.151
25 HB3 ARG 5 1HB ARG 5 -2.345 6.579 2.527
26 HG2 ARG 5 2HG ARG 5 -2.675 8.761 0.857
27 HG3 ARG 5 1HG ARG 5 -4.175 7.863 0.633
28 HD2 ARG 5 2HD ARG 5 -4.926 8.535 2.660
29 HD3 ARG 5 1HD ARG 5 -3.465 7.901 3.444
30 HE ARG 5 HE ARG 5 -2.337 10.062 2.737
31 HH11 ARG 5 2HH1 ARG 5 -4.478 11.161 0.999
32 HH12 ARG 5 1HH1 ARG 5 -5.303 12.256 2.053
33 HH21 ARG 5 1HH2 ARG 5 -3.955 10.893 4.952
34 HH22 ARG 5 2HH2 ARG 5 -5.006 12.106 4.302
35 H CYS 6 H CYS 6 -1.593 4.312 -0.074
36 HA CYS 6 HA CYS 6 0.115 2.973 1.828
37 HB2 CYS 6 2HB CYS 6 -0.957 2.136 -0.884
38 HB3 CYS 6 1HB CYS 6 -0.325 1.040 0.345
39 H LYS 7 H LYS 7 0.612 4.197 -1.471
40 HA LYS 7 HA LYS 7 3.147 2.961 -1.985
41 HB2 LYS 7 2HB LYS 7 1.524 4.181 -3.555
42 HB3 LYS 7 1HB LYS 7 2.203 5.683 -2.927
43 HG2 LYS 7 2HG LYS 7 4.335 5.240 -3.822
44 HG3 LYS 7 1HG LYS 7 4.005 3.515 -3.998
45 HD2 LYS 7 2HD LYS 7 3.869 4.407 -6.202
46 HD3 LYS 7 1HD LYS 7 2.197 4.184 -5.686
47 HE2 LYS 7 2HE LYS 7 1.812 6.383 -6.055
48 HE3 LYS 7 1HE LYS 7 3.026 6.789 -4.827
49 HZ1 LYS 7 3HZ LYS 7 3.772 5.963 -7.577
50 HZ2 LYS 7 1HZ LYS 7 4.746 6.718 -6.409
51 HZ3 LYS 7 2HZ LYS 7 3.498 7.589 -7.168
52 H GLY 8 H GLY 8 2.263 6.093 -0.498
53 HA2 GLY 8 2HA GLY 8 4.977 6.978 -0.087
54 HA3 GLY 8 1HA GLY 8 3.558 7.611 0.747
55 H HIS 9 H HIS 9 2.673 5.109 1.857
56 HA HIS 9 HA HIS 9 4.132 5.019 4.311
57 HB2 HIS 9 2HB HIS 9 1.724 4.309 3.684
58 HB3 HIS 9 1HB HIS 9 2.446 2.792 3.151
59 HD1 HIS 9 HD1 HIS 9 3.663 1.343 5.001
60 HD2 HIS 9 HD2 HIS 9 1.526 4.605 6.470
61 HE1 HIS 9 HE1 HIS 9 3.407 0.968 7.493
62 H CYS 10 H CYS 10 4.204 2.860 1.455
63 HA CYS 10 HA CYS 10 6.112 0.985 2.519
64 HB2 CYS 10 2HB CYS 10 4.474 1.067 0.401
65 HB3 CYS 10 1HB CYS 10 5.938 1.617 -0.404
66 H ARG 11 H ARG 11 6.461 3.994 0.635
67 HA ARG 11 HA ARG 11 9.300 3.810 0.190
68 HB2 ARG 11 2HB ARG 11 7.164 5.510 -0.444
69 HB3 ARG 11 1HB ARG 11 8.230 6.509 0.541
70 HG2 ARG 11 2HG ARG 11 10.131 5.536 -0.968
71 HG3 ARG 11 1HG ARG 11 8.815 5.137 -2.073
72 HD2 ARG 11 2HD ARG 11 8.075 7.588 -1.852
73 HD3 ARG 11 1HD ARG 11 9.652 7.879 -1.091
74 HE ARG 11 HE ARG 11 10.735 7.204 -3.162
75 HH11 ARG 11 1HH2 ARG 11 8.732 9.184 -4.195
76 HH12 ARG 11 2HH2 ARG 11 7.996 8.313 -5.497
77 HH21 ARG 11 2HH1 ARG 11 9.163 5.216 -4.432
78 HH22 ARG 11 1HH1 ARG 11 8.240 6.059 -5.632
79 H ALA 12 H ALA 12 7.318 5.213 2.800
80 HA ALA 12 HA ALA 12 9.435 6.422 4.311
81 HB1 ALA 12 3HB ALA 12 6.754 5.240 5.111
82 HB2 ALA 12 1HB ALA 12 7.050 6.906 4.616
83 HB3 ALA 12 2HB ALA 12 7.721 6.305 6.132
84 H ARG 13 H ARG 13 8.188 3.110 4.156
85 HA ARG 13 HA ARG 13 9.802 2.202 6.451
86 HB2 ARG 13 2HB ARG 13 7.469 1.413 5.782
87 HB3 ARG 13 1HB ARG 13 8.228 0.599 4.415
88 HG2 ARG 13 2HG ARG 13 8.338 -1.141 5.908
89 HG3 ARG 13 1HG ARG 13 9.817 -0.317 6.396
90 HD2 ARG 13 2HD ARG 13 8.679 -0.639 8.447
91 HD3 ARG 13 1HD ARG 13 8.243 1.025 8.012
92 HE ARG 13 HE ARG 13 6.414 -0.946 6.871
93 HH11 ARG 13 2HH1 ARG 13 6.003 1.907 8.101
94 HH12 ARG 13 1HH1 ARG 13 4.944 1.512 9.412
95 HH21 ARG 13 1HH2 ARG 13 5.574 -1.903 9.232
96 HH22 ARG 13 2HH2 ARG 13 4.699 -0.655 10.053
97 H ARG 14 H ARG 14 10.734 3.112 3.465
98 HA ARG 14 HA ARG 14 12.611 2.645 2.133
99 HB2 ARG 14 2HB ARG 14 13.513 2.361 4.531
100 HB3 ARG 14 1HB ARG 14 13.339 0.627 4.268
101 HG2 ARG 14 2HG ARG 14 14.632 1.540 1.963
102 HG3 ARG 14 1HG ARG 14 15.392 2.443 3.274
103 HD2 ARG 14 2HD ARG 14 14.954 -0.493 3.694
104 HD3 ARG 14 1HD ARG 14 16.271 0.009 2.615
105 HE ARG 14 HE ARG 14 15.999 0.930 5.455
106 HH11 ARG 14 1HH2 ARG 14 18.066 -1.119 4.793
107 HH12 ARG 14 2HH2 ARG 14 19.481 -0.154 4.538
108 HH21 ARG 14 2HH1 ARG 14 17.703 2.813 4.167
109 HH22 ARG 14 1HH1 ARG 14 19.275 2.085 4.182
110 H CYS 15 H CYS 15 10.389 1.442 1.202
111 HA CYS 15 HA CYS 15 11.242 -1.355 0.550
112 HB2 CYS 15 2HB CYS 15 8.471 -0.168 0.855
113 HB3 CYS 15 1HB CYS 15 8.816 -1.843 0.445
114 H GLY 16 H GLY 16 11.139 -1.934 -1.630
115 HA2 GLY 16 2HA GLY 16 10.640 0.298 -3.530
116 HA3 GLY 16 1HA GLY 16 11.627 -1.119 -3.872
117 H TYR 17 H TYR 17 8.755 -2.018 -2.265
118 HA TYR 17 HA TYR 17 7.219 -2.328 -4.803
119 HB2 TYR 17 2HB TYR 17 8.927 -4.258 -3.955
120 HB3 TYR 17 1HB TYR 17 7.475 -4.729 -3.075
121 HD1 TYR 17 HD1 TYR 17 8.730 -3.855 -6.483
122 HD2 TYR 17 HD2 TYR 17 5.718 -5.860 -4.167
123 HE1 TYR 17 HE1 TYR 17 7.806 -4.860 -8.553
124 HE2 TYR 17 HE2 TYR 17 4.793 -6.862 -6.237
125 HH TYR 17 HH TYR 17 6.133 -7.351 -8.793
126 H TYR 18 H TYR 18 4.976 -2.380 -4.427
127 HA TYR 18 HA TYR 18 3.928 -2.909 -1.730
128 HB2 TYR 18 2HB TYR 18 3.381 -0.733 -1.161
129 HB3 TYR 18 1HB TYR 18 4.826 -0.417 -2.112
130 HD1 TYR 18 HD1 TYR 18 4.645 0.410 -4.445
131 HD2 TYR 18 HD2 TYR 18 1.174 -0.128 -1.964
132 HE1 TYR 18 HE1 TYR 18 3.308 1.801 -6.004
133 HE2 TYR 18 HE2 TYR 18 -0.155 1.260 -3.524
134 HH TYR 18 HH TYR 18 0.335 1.805 -6.370
135 H VAL 19 H VAL 19 1.600 -3.123 -1.737
136 HA VAL 19 HA VAL 19 0.355 -3.243 -4.467
137 HB VAL 19 HB VAL 19 -0.070 -5.098 -2.094
138 HG11 VAL 19 1HG1 VAL 19 -1.085 -6.523 -3.984
139 HG12 VAL 19 2HG1 VAL 19 -1.095 -5.038 -4.936
140 HG13 VAL 19 3HG1 VAL 19 -2.026 -5.134 -3.441
141 HG21 VAL 19 3HG2 VAL 19 1.657 -5.332 -4.570
142 HG22 VAL 19 1HG2 VAL 19 1.122 -6.749 -3.664
143 HG23 VAL 19 2HG2 VAL 19 2.139 -5.536 -2.886
144 H SER 20 H SER 20 -1.855 -2.579 -4.548
145 HA SER 20 HA SER 20 -3.204 -1.782 -2.038
146 HB2 SER 20 2HB SER 20 -3.384 0.557 -2.743
147 HB3 SER 20 1HB SER 20 -1.686 0.087 -2.688
148 HG SER 20 HG SER 20 -1.614 0.066 -4.851
149 H VAL 21 H VAL 21 -5.397 -1.955 -2.222
150 HA VAL 21 HA VAL 21 -6.717 -1.867 -4.882
151 HB VAL 21 HB VAL 21 -6.189 -4.283 -3.196
152 HG11 VAL 21 1HG1 VAL 21 -8.231 -5.391 -4.235
153 HG12 VAL 21 2HG1 VAL 21 -8.813 -3.771 -4.617
154 HG13 VAL 21 3HG1 VAL 21 -8.570 -4.247 -2.936
155 HG21 VAL 21 3HG2 VAL 21 -6.531 -3.670 -6.141
156 HG22 VAL 21 1HG2 VAL 21 -6.361 -5.315 -5.529
157 HG23 VAL 21 2HG2 VAL 21 -5.059 -4.150 -5.298
158 H LEU 22 H LEU 22 -8.696 -0.862 -4.627
159 HA LEU 22 HA LEU 22 -9.794 -0.612 -1.849
160 HB2 LEU 22 2HB LEU 22 -9.083 1.317 -3.600
161 HB3 LEU 22 1HB LEU 22 -10.747 1.065 -4.128
162 HG LEU 22 HG LEU 22 -10.045 1.457 -1.215
163 HD11 LEU 22 1HD1 LEU 22 -10.653 3.535 -3.334
164 HD12 LEU 22 2HD1 LEU 22 -9.227 3.443 -2.300
165 HD13 LEU 22 3HD1 LEU 22 -10.797 3.847 -1.604
166 HD21 LEU 22 3HD2 LEU 22 -12.562 1.671 -2.889
167 HD22 LEU 22 1HD2 LEU 22 -12.459 2.279 -1.237
168 HD23 LEU 22 2HD2 LEU 22 -12.247 0.558 -1.558
169 H TYR 23 H TYR 23 -11.431 -2.068 -1.504
170 HA TYR 23 HA TYR 23 -13.362 -2.577 -3.749
171 HB2 TYR 23 2HB TYR 23 -12.048 -4.529 -3.563
172 HB3 TYR 23 1HB TYR 23 -11.948 -4.391 -1.810
173 HD1 TYR 23 HD2 TYR 23 -14.802 -4.413 -4.265
174 HD2 TYR 23 HD1 TYR 23 -13.039 -6.148 -0.752
175 HE1 TYR 23 HE2 TYR 23 -16.763 -5.908 -4.018
176 HE2 TYR 23 HE1 TYR 23 -15.003 -7.642 -0.506
177 HH TYR 23 HH TYR 23 -17.864 -7.158 -1.897
178 H ARG 24 H ARG 24 -15.445 -2.116 -3.208
179 HA ARG 24 HA ARG 24 -17.358 -1.619 -1.935
180 HB2 ARG 24 2HB ARG 24 -16.494 -4.056 -1.341
181 HB3 ARG 24 1HB ARG 24 -16.207 -3.328 0.237
182 HG2 ARG 24 2HG ARG 24 -18.704 -2.397 -0.246
183 HG3 ARG 24 1HG ARG 24 -18.773 -3.916 -1.141
184 HD2 ARG 24 2HD ARG 24 -17.862 -3.691 1.753
185 HD3 ARG 24 1HD ARG 24 -19.489 -4.188 1.248
186 HE ARG 24 HE ARG 24 -17.208 -5.668 0.057
187 HH11 ARG 24 2HH1 ARG 24 -17.274 -6.451 2.879
188 HH12 ARG 24 1HH1 ARG 24 -18.446 -7.728 2.916
189 HH21 ARG 24 1HH2 ARG 24 -19.822 -6.898 -0.169
190 HH22 ARG 24 2HH2 ARG 24 -19.894 -7.982 1.180
191 H GLY 25 H GLY 25 -14.827 0.027 -1.479
192 HA2 GLY 25 2HA GLY 25 -14.576 2.014 -0.183
193 HA3 GLY 25 1HA GLY 25 -15.800 1.411 0.929
194 H ARG 26 H ARG 26 -13.566 -1.041 0.332
195 HA ARG 26 HA ARG 26 -12.196 -0.494 2.923
196 HB2 ARG 26 2HB ARG 26 -13.589 -2.614 2.297
197 HB3 ARG 26 1HB ARG 26 -12.180 -3.062 1.338
198 HG2 ARG 26 2HG ARG 26 -10.776 -3.180 3.240
199 HG3 ARG 26 1HG ARG 26 -11.912 -2.272 4.239
200 HD2 ARG 26 2HD ARG 26 -13.309 -4.107 4.564
201 HD3 ARG 26 1HD ARG 26 -12.810 -4.881 3.046
202 HE ARG 26 HE ARG 26 -10.528 -5.177 4.207
203 HH11 ARG 26 1HH2 ARG 26 -12.447 -7.255 5.092
204 HH12 ARG 26 2HH2 ARG 26 -12.377 -7.131 6.818
205 HH21 ARG 26 2HH1 ARG 26 -10.896 -3.986 6.792
206 HH22 ARG 26 1HH1 ARG 26 -11.500 -5.271 7.784
207 H CYS 27 H CYS 27 -9.854 -0.842 3.000
208 HA CYS 27 HA CYS 27 -8.558 -0.482 0.325
209 HB2 CYS 27 2HB CYS 27 -8.665 1.378 2.181
210 HB3 CYS 27 1HB CYS 27 -7.372 0.442 2.930
211 H TYR 28 H TYR 28 -7.310 -2.161 -0.254
212 HA TYR 28 HA TYR 28 -6.150 -3.966 1.836
213 HB2 TYR 28 2HB TYR 28 -6.881 -4.291 -1.093
214 HB3 TYR 28 1HB TYR 28 -6.012 -5.522 -0.183
215 HD1 TYR 28 HD1 TYR 28 -9.223 -3.698 -0.497
216 HD2 TYR 28 HD2 TYR 28 -7.117 -6.877 1.478
217 HE1 TYR 28 HE1 TYR 28 -11.367 -4.566 0.392
218 HE2 TYR 28 HE2 TYR 28 -9.263 -7.744 2.371
219 HH TYR 28 HH TYR 28 -12.107 -7.146 1.225
220 H CYS 29 H CYS 29 -4.153 -2.890 2.231
221 HA CYS 29 HA CYS 29 -2.445 -2.378 -0.173
222 HB2 CYS 29 2HB CYS 29 -2.802 -1.017 2.482
223 HB3 CYS 29 1HB CYS 29 -1.327 -0.774 1.546
224 H LYS 30 H LYS 30 -0.166 -2.770 0.044
225 HA LYS 30 HA LYS 30 0.785 -4.400 2.327
226 HB2 LYS 30 2HB LYS 30 -0.361 -5.862 0.580
227 HB3 LYS 30 1HB LYS 30 0.911 -5.376 -0.542
228 HG2 LYS 30 2HG LYS 30 2.345 -6.861 0.352
229 HG3 LYS 30 1HG LYS 30 2.076 -6.207 1.967
230 HD2 LYS 30 2HD LYS 30 0.011 -8.001 0.716
231 HD3 LYS 30 1HD LYS 30 1.436 -8.701 1.486
232 HE2 LYS 30 2HE LYS 30 0.880 -7.780 3.611
233 HE3 LYS 30 1HE LYS 30 -0.300 -6.659 2.902
234 HZ1 LYS 30 3HZ LYS 30 -1.589 -8.576 2.138
235 HZ2 LYS 30 1HZ LYS 30 -1.428 -8.582 3.827
236 HZ3 LYS 30 2HZ LYS 30 -0.482 -9.630 2.881
237 H CYS 31 H CYS 31 3.090 -4.428 2.437
238 HA CYS 31 HA CYS 31 4.547 -2.708 0.451
239 HB2 CYS 31 2HB CYS 31 3.949 -1.622 2.661
240 HB3 CYS 31 1HB CYS 31 4.928 -2.850 3.452
241 H LEU 32 H LEU 32 6.255 -3.840 -0.426
242 HA LEU 32 HA LEU 32 7.523 -6.015 1.189
243 HB2 LEU 32 2HB LEU 32 6.574 -6.120 -1.693
244 HB3 LEU 32 1HB LEU 32 7.465 -7.406 -0.884
245 HG LEU 32 HG LEU 32 4.897 -6.337 0.284
246 HD11 LEU 32 1HD1 LEU 32 4.613 -7.097 -2.142
247 HD12 LEU 32 2HD1 LEU 32 3.615 -7.924 -0.946
248 HD13 LEU 32 3HD1 LEU 32 5.061 -8.708 -1.583
249 HD21 LEU 32 3HD2 LEU 32 6.405 -8.965 0.461
250 HD22 LEU 32 1HD2 LEU 32 4.841 -8.663 1.219
251 HD23 LEU 32 2HD2 LEU 32 6.260 -7.747 1.730
252 H ARG 33 H ARG 33 9.545 -6.841 -0.201
253 HA ARG 33 HA ARG 33 11.717 -6.336 -0.961
254 HB2 ARG 33 2HB ARG 33 10.196 -4.147 -2.423
255 HB3 ARG 33 1HB ARG 33 11.769 -4.796 -2.873
256 HG2 ARG 33 2HG ARG 33 9.254 -6.476 -2.701
257 HG3 ARG 33 1HG ARG 33 9.832 -5.740 -4.193
258 HD2 ARG 33 2HD ARG 33 11.952 -6.986 -4.014
259 HD3 ARG 33 1HD ARG 33 11.395 -7.722 -2.498
260 HE ARG 33 HE ARG 33 10.339 -8.321 -5.194
261 HH11 ARG 33 2HH1 ARG 33 11.050 -10.493 -3.325
262 HH12 ARG 33 1HH1 ARG 33 9.517 -10.970 -2.678
263 HH21 ARG 33 1HH2 ARG 33 7.894 -8.065 -3.693
264 HH22 ARG 33 2HH2 ARG 33 7.721 -9.585 -2.882
265 H CYS 34 HN CYS 34 11.481 -5.451 1.539
266 HA CYS 34 HA CYS 34 12.205 -2.563 1.596
267 HB2 CYS 34 2HB CYS 34 11.483 -4.500 3.816
268 HB3 CYS 34 1HB CYS 34 11.626 -2.750 3.971
Start of MODEL 15
1 H1 SER 1 1H SER 1 -6.270 9.974 -1.785
2 H2 SER 1 2H SER 1 -7.706 9.079 -1.933
3 H3 SER 1 3H SER 1 -7.246 10.161 -3.161
4 HA SER 1 HA SER 1 -6.792 7.857 -3.815
5 HB2 SER 1 2HB SER 1 -4.354 9.568 -3.221
6 HB3 SER 1 1HB SER 1 -4.483 8.355 -4.492
7 HG SER 1 HG SER 1 -4.903 10.395 -5.349
8 H CYS 2 H CYS 2 -7.153 6.226 -2.211
9 HA CYS 2 HA CYS 2 -5.623 5.861 0.178
10 HB2 CYS 2 2HB CYS 2 -7.857 4.803 -0.797
11 HB3 CYS 2 1HB CYS 2 -6.755 3.556 -1.377
12 H ALA 3 H ALA 3 -5.272 4.315 -3.044
13 HA ALA 3 HA ALA 3 -3.011 2.695 -2.466
14 HB1 ALA 3 3HB ALA 3 -3.799 4.117 -5.031
15 HB2 ALA 3 1HB ALA 3 -4.448 2.571 -4.483
16 HB3 ALA 3 2HB ALA 3 -2.746 2.706 -4.923
17 H SER 4 H SER 4 -3.189 6.109 -3.495
18 HA SER 4 HA SER 4 -0.378 6.519 -3.905
19 HB2 SER 4 2HB SER 4 -2.471 7.945 -4.512
20 HB3 SER 4 1HB SER 4 -2.325 8.591 -2.882
21 HG SER 4 HG SER 4 -0.079 9.053 -3.482
22 H ARG 5 H ARG 5 -2.449 6.856 -1.023
23 HA ARG 5 HA ARG 5 -0.409 7.938 0.714
24 HB2 ARG 5 2HB ARG 5 -2.924 7.991 1.021
25 HB3 ARG 5 1HB ARG 5 -2.854 6.272 1.410
26 HG2 ARG 5 2HG ARG 5 -1.328 6.756 3.287
27 HG3 ARG 5 1HG ARG 5 -1.396 8.477 2.900
28 HD2 ARG 5 2HD ARG 5 -4.018 8.096 3.107
29 HD3 ARG 5 1HD ARG 5 -3.510 6.726 4.115
30 HE ARG 5 HE ARG 5 -1.971 8.575 5.223
31 HH11 ARG 5 2HH1 ARG 5 -3.222 10.882 3.886
32 HH12 ARG 5 1HH1 ARG 5 -4.487 11.333 4.979
33 HH21 ARG 5 1HH2 ARG 5 -4.447 8.305 6.687
34 HH22 ARG 5 2HH2 ARG 5 -5.184 9.868 6.572
35 H CYS 6 H CYS 6 -1.572 4.650 0.025
36 HA CYS 6 HA CYS 6 0.036 3.255 1.952
37 HB2 CYS 6 2HB CYS 6 -1.195 2.507 -0.711
38 HB3 CYS 6 1HB CYS 6 -0.453 1.330 0.373
39 H LYS 7 H LYS 7 0.651 4.260 -1.410
40 HA LYS 7 HA LYS 7 3.111 2.853 -1.809
41 HB2 LYS 7 2HB LYS 7 1.540 4.176 -3.420
42 HB3 LYS 7 1HB LYS 7 2.475 5.587 -2.923
43 HG2 LYS 7 2HG LYS 7 4.369 3.569 -3.487
44 HG3 LYS 7 1HG LYS 7 3.192 3.508 -4.799
45 HD2 LYS 7 2HD LYS 7 3.907 6.249 -4.063
46 HD3 LYS 7 1HD LYS 7 5.296 5.304 -4.604
47 HE2 LYS 7 2HE LYS 7 3.904 4.590 -6.612
48 HE3 LYS 7 1HE LYS 7 2.715 5.810 -6.116
49 HZ1 LYS 7 3HZ LYS 7 4.488 7.467 -6.103
50 HZ2 LYS 7 1HZ LYS 7 4.318 6.775 -7.641
51 HZ3 LYS 7 2HZ LYS 7 5.602 6.300 -6.637
52 H GLY 8 H GLY 8 2.415 6.102 -0.486
53 HA2 GLY 8 2HA GLY 8 5.156 6.872 -0.106
54 HA3 GLY 8 1HA GLY 8 3.772 7.584 0.725
55 H HIS 9 H HIS 9 2.798 5.164 1.933
56 HA HIS 9 HA HIS 9 4.291 5.086 4.363
57 HB2 HIS 9 2HB HIS 9 1.856 4.434 3.818
58 HB3 HIS 9 1HB HIS 9 2.512 2.889 3.276
59 HD1 HIS 9 HD1 HIS 9 3.271 5.047 6.342
60 HD2 HIS 9 HD2 HIS 9 2.213 1.133 5.375
61 HE1 HIS 9 HE1 HIS 9 3.213 3.761 8.524
62 H CYS 10 H CYS 10 4.193 2.766 1.627
63 HA CYS 10 HA CYS 10 6.124 0.919 2.684
64 HB2 CYS 10 2HB CYS 10 4.407 0.856 0.678
65 HB3 CYS 10 1HB CYS 10 5.757 1.501 -0.249
66 H ARG 11 H ARG 11 6.435 3.785 0.584
67 HA ARG 11 HA ARG 11 9.250 3.595 0.073
68 HB2 ARG 11 2HB ARG 11 7.182 5.154 -0.730
69 HB3 ARG 11 1HB ARG 11 7.951 6.253 0.411
70 HG2 ARG 11 2HG ARG 11 10.049 6.136 -0.763
71 HG3 ARG 11 1HG ARG 11 9.467 4.822 -1.786
72 HD2 ARG 11 2HD ARG 11 9.420 7.034 -2.964
73 HD3 ARG 11 1HD ARG 11 7.798 6.334 -2.802
74 HE ARG 11 HE ARG 11 7.254 8.101 -1.328
75 HH11 ARG 11 1HH2 ARG 11 9.400 9.770 -2.582
76 HH12 ARG 11 2HH2 ARG 11 10.339 10.256 -1.211
77 HH21 ARG 11 2HH1 ARG 11 9.011 7.827 0.892
78 HH22 ARG 11 1HH1 ARG 11 10.119 9.151 0.761
79 H ALA 12 H ALA 12 7.369 5.197 2.642
80 HA ALA 12 HA ALA 12 9.524 6.451 4.038
81 HB1 ALA 12 3HB ALA 12 6.901 5.291 5.038
82 HB2 ALA 12 1HB ALA 12 7.112 6.903 4.358
83 HB3 ALA 12 2HB ALA 12 7.877 6.486 5.891
84 H ARG 13 H ARG 13 8.285 3.130 4.105
85 HA ARG 13 HA ARG 13 9.992 2.370 6.387
86 HB2 ARG 13 2HB ARG 13 7.748 1.297 4.807
87 HB3 ARG 13 1HB ARG 13 8.923 0.074 5.290
88 HG2 ARG 13 2HG ARG 13 7.981 2.071 7.321
89 HG3 ARG 13 1HG ARG 13 6.942 0.705 6.913
90 HD2 ARG 13 2HD ARG 13 8.521 -0.883 7.680
91 HD3 ARG 13 1HD ARG 13 9.854 0.287 7.622
92 HE ARG 13 HE ARG 13 7.750 0.169 9.709
93 HH11 ARG 13 2HH1 ARG 13 10.906 0.412 9.766
94 HH12 ARG 13 1HH1 ARG 13 11.049 1.985 10.475
95 HH21 ARG 13 1HH2 ARG 13 7.709 2.803 9.973
96 HH22 ARG 13 2HH2 ARG 13 9.232 3.344 10.595
97 H ARG 14 H ARG 14 10.847 3.121 3.370
98 HA ARG 14 HA ARG 14 12.682 2.578 2.010
99 HB2 ARG 14 2HB ARG 14 13.598 2.299 4.427
100 HB3 ARG 14 1HB ARG 14 13.446 0.567 4.129
101 HG2 ARG 14 2HG ARG 14 14.698 1.389 1.837
102 HG3 ARG 14 1HG ARG 14 15.382 2.504 3.020
103 HD2 ARG 14 2HD ARG 14 15.945 0.527 4.477
104 HD3 ARG 14 1HD ARG 14 15.413 -0.532 3.156
105 HE ARG 14 HE ARG 14 17.130 0.797 1.735
106 HH11 ARG 14 2HH1 ARG 14 18.506 -1.346 3.171
107 HH12 ARG 14 1HH1 ARG 14 19.733 -0.514 4.067
108 HH21 ARG 14 1HH2 ARG 14 18.225 2.602 3.740
109 HH22 ARG 14 2HH2 ARG 14 19.572 1.731 4.391
110 H CYS 15 H CYS 15 10.433 1.414 1.133
111 HA CYS 15 HA CYS 15 11.216 -1.412 0.525
112 HB2 CYS 15 2HB CYS 15 8.465 -0.187 0.873
113 HB3 CYS 15 1HB CYS 15 8.787 -1.873 0.487
114 H GLY 16 H GLY 16 11.065 -2.015 -1.648
115 HA2 GLY 16 2HA GLY 16 10.516 0.200 -3.560
116 HA3 GLY 16 1HA GLY 16 11.514 -1.206 -3.909
117 H TYR 17 H TYR 17 8.723 -2.176 -2.237
118 HA TYR 17 HA TYR 17 7.150 -2.553 -4.750
119 HB2 TYR 17 2HB TYR 17 8.859 -4.430 -3.890
120 HB3 TYR 17 1HB TYR 17 7.491 -4.836 -2.861
121 HD1 TYR 17 HD1 TYR 17 8.593 -4.418 -6.379
122 HD2 TYR 17 HD2 TYR 17 5.523 -5.870 -3.749
123 HE1 TYR 17 HE1 TYR 17 7.520 -5.592 -8.281
124 HE2 TYR 17 HE2 TYR 17 4.448 -7.042 -5.652
125 HH TYR 17 HH TYR 17 4.552 -6.539 -8.415
126 H TYR 18 H TYR 18 4.896 -2.645 -4.352
127 HA TYR 18 HA TYR 18 3.842 -3.059 -1.657
128 HB2 TYR 18 2HB TYR 18 3.339 -0.861 -1.099
129 HB3 TYR 18 1HB TYR 18 4.829 -0.609 -2.001
130 HD1 TYR 18 HD1 TYR 18 4.694 0.041 -4.448
131 HD2 TYR 18 HD2 TYR 18 1.258 0.032 -1.863
132 HE1 TYR 18 HE1 TYR 18 3.482 1.495 -6.047
133 HE2 TYR 18 HE2 TYR 18 0.052 1.488 -3.462
134 HH TYR 18 HH TYR 18 0.552 1.834 -6.367
135 H VAL 19 H VAL 19 1.542 -3.274 -1.668
136 HA VAL 19 HA VAL 19 0.300 -3.379 -4.399
137 HB VAL 19 HB VAL 19 -0.290 -5.057 -1.933
138 HG11 VAL 19 1HG1 VAL 19 -2.205 -5.016 -3.363
139 HG12 VAL 19 2HG1 VAL 19 -1.372 -6.530 -3.717
140 HG13 VAL 19 3HG1 VAL 19 -1.210 -5.158 -4.813
141 HG21 VAL 19 3HG2 VAL 19 1.512 -5.517 -4.315
142 HG22 VAL 19 1HG2 VAL 19 0.825 -6.866 -3.410
143 HG23 VAL 19 2HG2 VAL 19 1.888 -5.714 -2.603
144 H SER 20 H SER 20 -1.855 -2.574 -4.550
145 HA SER 20 HA SER 20 -3.168 -1.530 -2.111
146 HB2 SER 20 2HB SER 20 -3.234 0.760 -3.053
147 HB3 SER 20 1HB SER 20 -1.571 0.216 -2.830
148 HG SER 20 HG SER 20 -1.313 0.138 -4.942
149 H VAL 21 H VAL 21 -5.354 -1.748 -2.302
150 HA VAL 21 HA VAL 21 -6.651 -1.695 -4.977
151 HB VAL 21 HB VAL 21 -6.172 -4.070 -3.225
152 HG11 VAL 21 1HG1 VAL 21 -8.243 -5.158 -4.280
153 HG12 VAL 21 2HG1 VAL 21 -8.803 -3.518 -4.610
154 HG13 VAL 21 3HG1 VAL 21 -8.534 -4.040 -2.947
155 HG21 VAL 21 3HG2 VAL 21 -6.363 -5.166 -5.524
156 HG22 VAL 21 1HG2 VAL 21 -5.047 -4.007 -5.336
157 HG23 VAL 21 2HG2 VAL 21 -6.521 -3.539 -6.185
158 H LEU 22 H LEU 22 -8.579 -0.608 -4.771
159 HA LEU 22 HA LEU 22 -9.763 -0.339 -2.029
160 HB2 LEU 22 2HB LEU 22 -8.903 1.601 -3.692
161 HB3 LEU 22 1HB LEU 22 -10.540 1.416 -4.321
162 HG LEU 22 HG LEU 22 -9.983 1.734 -1.365
163 HD11 LEU 22 1HD1 LEU 22 -10.627 3.904 -3.386
164 HD12 LEU 22 2HD1 LEU 22 -9.076 3.697 -2.573
165 HD13 LEU 22 3HD1 LEU 22 -10.510 4.122 -1.640
166 HD21 LEU 22 3HD2 LEU 22 -12.368 2.553 -1.437
167 HD22 LEU 22 1HD2 LEU 22 -12.182 0.860 -1.896
168 HD23 LEU 22 2HD2 LEU 22 -12.420 2.089 -3.137
169 H TYR 23 H TYR 23 -11.408 -1.826 -1.822
170 HA TYR 23 HA TYR 23 -13.509 -1.905 -3.933
171 HB2 TYR 23 2HB TYR 23 -11.667 -3.643 -4.292
172 HB3 TYR 23 1HB TYR 23 -12.223 -4.387 -2.794
173 HD1 TYR 23 HD1 TYR 23 -13.310 -3.370 -6.210
174 HD2 TYR 23 HD2 TYR 23 -14.167 -5.749 -2.737
175 HE1 TYR 23 HE1 TYR 23 -15.129 -4.518 -7.444
176 HE2 TYR 23 HE2 TYR 23 -15.985 -6.897 -3.971
177 HH TYR 23 HH TYR 23 -17.521 -6.033 -6.201
178 H ARG 24 H ARG 24 -15.535 -2.730 -3.138
179 HA ARG 24 HA ARG 24 -17.238 -2.918 -1.531
180 HB2 ARG 24 2HB ARG 24 -15.523 -4.969 -1.363
181 HB3 ARG 24 1HB ARG 24 -15.300 -4.310 0.256
182 HG2 ARG 24 2HG ARG 24 -18.073 -4.268 -0.148
183 HG3 ARG 24 1HG ARG 24 -17.547 -5.811 -0.821
184 HD2 ARG 24 2HD ARG 24 -16.997 -6.653 1.232
185 HD3 ARG 24 1HD ARG 24 -16.313 -5.111 1.783
186 HE ARG 24 HE ARG 24 -19.230 -5.072 1.444
187 HH11 ARG 24 1HH2 ARG 24 -17.367 -3.535 3.408
188 HH12 ARG 24 2HH2 ARG 24 -17.894 -4.207 4.915
189 HH21 ARG 24 2HH1 ARG 24 -19.575 -6.868 3.437
190 HH22 ARG 24 1HH1 ARG 24 -19.152 -6.101 4.930
191 H GLY 25 H GLY 25 -15.534 -0.520 -1.324
192 HA2 GLY 25 2HA GLY 25 -15.277 1.295 0.143
193 HA3 GLY 25 1HA GLY 25 -16.445 0.495 1.197
194 H ARG 26 H ARG 26 -13.410 -0.968 0.158
195 HA ARG 26 HA ARG 26 -12.274 -0.585 2.894
196 HB2 ARG 26 2HB ARG 26 -13.573 -2.772 2.489
197 HB3 ARG 26 1HB ARG 26 -12.269 -3.207 1.388
198 HG2 ARG 26 2HG ARG 26 -10.866 -3.703 3.089
199 HG3 ARG 26 1HG ARG 26 -11.263 -2.215 3.948
200 HD2 ARG 26 2HD ARG 26 -13.164 -4.576 3.890
201 HD3 ARG 26 1HD ARG 26 -11.921 -4.389 5.143
202 HE ARG 26 HE ARG 26 -13.929 -2.232 4.589
203 HH11 ARG 26 2HH1 ARG 26 -14.686 -4.284 6.645
204 HH12 ARG 26 1HH1 ARG 26 -14.130 -3.550 8.112
205 HH21 ARG 26 1HH2 ARG 26 -12.083 -1.257 6.488
206 HH22 ARG 26 2HH2 ARG 26 -12.649 -1.826 8.022
207 H CYS 27 H CYS 27 -10.002 -0.439 2.897
208 HA CYS 27 HA CYS 27 -8.736 -0.302 0.199
209 HB2 CYS 27 2HB CYS 27 -8.878 1.651 1.912
210 HB3 CYS 27 1HB CYS 27 -7.617 0.780 2.785
211 H TYR 28 H TYR 28 -7.444 -1.974 -0.321
212 HA TYR 28 HA TYR 28 -6.244 -3.662 1.832
213 HB2 TYR 28 2HB TYR 28 -6.731 -4.156 -1.129
214 HB3 TYR 28 1HB TYR 28 -6.141 -5.352 0.022
215 HD1 TYR 28 HD2 TYR 28 -7.616 -6.278 1.750
216 HD2 TYR 28 HD1 TYR 28 -9.067 -3.424 -1.108
217 HE1 TYR 28 HE2 TYR 28 -9.949 -6.829 2.383
218 HE2 TYR 28 HE1 TYR 28 -11.399 -3.973 -0.476
219 HH TYR 28 HH TYR 28 -12.394 -6.514 0.846
220 H CYS 29 H CYS 29 -4.259 -2.643 2.260
221 HA CYS 29 HA CYS 29 -2.510 -2.027 -0.092
222 HB2 CYS 29 2HB CYS 29 -2.844 -0.850 2.664
223 HB3 CYS 29 1HB CYS 29 -1.400 -0.529 1.705
224 H LYS 30 H LYS 30 -0.288 -2.606 0.040
225 HA LYS 30 HA LYS 30 0.609 -4.333 2.286
226 HB2 LYS 30 2HB LYS 30 -0.528 -5.362 -0.019
227 HB3 LYS 30 1HB LYS 30 1.195 -5.417 -0.387
228 HG2 LYS 30 2HG LYS 30 1.665 -6.754 1.532
229 HG3 LYS 30 1HG LYS 30 0.067 -6.459 2.217
230 HD2 LYS 30 2HD LYS 30 -0.840 -7.583 0.064
231 HD3 LYS 30 1HD LYS 30 0.805 -8.182 -0.148
232 HE2 LYS 30 2HE LYS 30 0.737 -9.381 1.936
233 HE3 LYS 30 1HE LYS 30 -0.769 -8.577 2.419
234 HZ1 LYS 30 3HZ LYS 30 -1.143 -10.807 1.450
235 HZ2 LYS 30 1HZ LYS 30 -0.469 -10.269 -0.010
236 HZ3 LYS 30 2HZ LYS 30 -1.907 -9.571 0.569
237 H CYS 31 H CYS 31 2.926 -4.519 2.359
238 HA CYS 31 HA CYS 31 4.470 -2.758 0.478
239 HB2 CYS 31 2HB CYS 31 3.864 -1.659 2.664
240 HB3 CYS 31 1HB CYS 31 4.731 -2.946 3.491
241 H LEU 32 H LEU 32 6.206 -3.888 -0.348
242 HA LEU 32 HA LEU 32 7.401 -6.096 1.271
243 HB2 LEU 32 2HB LEU 32 6.518 -6.218 -1.632
244 HB3 LEU 32 1HB LEU 32 7.341 -7.512 -0.769
245 HG LEU 32 HG LEU 32 5.227 -6.918 0.912
246 HD11 LEU 32 1HD1 LEU 32 4.552 -5.671 -1.456
247 HD12 LEU 32 2HD1 LEU 32 3.402 -6.214 -0.234
248 HD13 LEU 32 3HD1 LEU 32 3.768 -7.244 -1.618
249 HD21 LEU 32 3HD2 LEU 32 6.116 -9.152 0.162
250 HD22 LEU 32 1HD2 LEU 32 5.204 -8.954 -1.335
251 HD23 LEU 32 2HD2 LEU 32 4.355 -9.069 0.207
252 H ARG 33 H ARG 33 9.416 -6.960 -0.086
253 HA ARG 33 HA ARG 33 11.611 -6.498 -0.804
254 HB2 ARG 33 2HB ARG 33 10.162 -4.341 -2.380
255 HB3 ARG 33 1HB ARG 33 11.705 -5.084 -2.792
256 HG2 ARG 33 2HG ARG 33 9.125 -6.652 -2.540
257 HG3 ARG 33 1HG ARG 33 9.713 -5.998 -4.066
258 HD2 ARG 33 2HD ARG 33 11.891 -7.267 -3.638
259 HD3 ARG 33 1HD ARG 33 11.030 -8.106 -2.332
260 HE ARG 33 HE ARG 33 9.464 -8.991 -3.993
261 HH11 ARG 33 1HH2 ARG 33 12.315 -9.496 -5.092
262 HH12 ARG 33 2HH2 ARG 33 12.084 -9.088 -6.759
263 HH21 ARG 33 2HH1 ARG 33 9.060 -7.463 -6.214
264 HH22 ARG 33 1HH1 ARG 33 10.235 -7.933 -7.396
265 H CYS 34 HN CYS 34 11.487 -5.550 1.628
266 HA CYS 34 HA CYS 34 12.162 -2.647 1.588
267 HB2 CYS 34 2HB CYS 34 11.443 -4.523 3.861
268 HB3 CYS 34 1HB CYS 34 11.627 -2.775 3.989
Start of MODEL 16
1 H1 SER 1 1H SER 1 -8.434 8.508 -2.072
2 H2 SER 1 2H SER 1 -7.973 9.902 -2.930
3 H3 SER 1 3H SER 1 -7.357 9.617 -1.371
4 HA SER 1 HA SER 1 -6.825 7.843 -3.703
5 HB2 SER 1 2HB SER 1 -5.114 10.014 -2.447
6 HB3 SER 1 1HB SER 1 -4.705 9.040 -3.857
7 HG SER 1 HG SER 1 -5.557 10.797 -4.762
8 H CYS 2 H CYS 2 -6.954 5.955 -2.392
9 HA CYS 2 HA CYS 2 -5.527 5.813 0.175
10 HB2 CYS 2 2HB CYS 2 -7.742 4.635 -0.807
11 HB3 CYS 2 1HB CYS 2 -6.561 3.405 -1.253
12 H ALA 3 H ALA 3 -5.136 4.525 -3.126
13 HA ALA 3 HA ALA 3 -2.901 2.823 -2.651
14 HB1 ALA 3 3HB ALA 3 -3.622 4.448 -5.112
15 HB2 ALA 3 1HB ALA 3 -4.354 2.902 -4.678
16 HB3 ALA 3 2HB ALA 3 -2.639 2.983 -5.086
17 H SER 4 H SER 4 -3.032 6.297 -3.508
18 HA SER 4 HA SER 4 -0.192 6.653 -3.796
19 HB2 SER 4 2HB SER 4 -0.854 9.077 -3.476
20 HB3 SER 4 1HB SER 4 -1.787 8.228 -4.706
21 HG SER 4 HG SER 4 -2.532 9.156 -2.186
22 H ARG 5 H ARG 5 -2.384 6.933 -1.005
23 HA ARG 5 HA ARG 5 -0.432 8.007 0.835
24 HB2 ARG 5 2HB ARG 5 -2.961 8.011 1.043
25 HB3 ARG 5 1HB ARG 5 -2.870 6.289 1.414
26 HG2 ARG 5 2HG ARG 5 -1.083 7.134 3.201
27 HG3 ARG 5 1HG ARG 5 -1.994 8.636 3.051
28 HD2 ARG 5 2HD ARG 5 -3.697 7.794 4.287
29 HD3 ARG 5 1HD ARG 5 -3.792 6.351 3.259
30 HE ARG 5 HE ARG 5 -1.593 6.546 5.268
31 HH11 ARG 5 1HH2 ARG 5 -4.505 5.809 6.135
32 HH12 ARG 5 2HH2 ARG 5 -4.371 4.084 6.195
33 HH21 ARG 5 2HH1 ARG 5 -1.377 3.994 4.430
34 HH22 ARG 5 1HH1 ARG 5 -2.593 3.053 5.230
35 H CYS 6 H CYS 6 -1.525 4.697 0.081
36 HA CYS 6 HA CYS 6 0.176 3.393 2.034
37 HB2 CYS 6 2HB CYS 6 -1.233 2.490 -0.491
38 HB3 CYS 6 1HB CYS 6 -0.448 1.384 0.636
39 H LYS 7 H LYS 7 0.564 4.391 -1.341
40 HA LYS 7 HA LYS 7 2.963 2.937 -1.942
41 HB2 LYS 7 2HB LYS 7 1.357 4.201 -3.487
42 HB3 LYS 7 1HB LYS 7 2.140 5.683 -2.941
43 HG2 LYS 7 2HG LYS 7 4.206 3.853 -3.647
44 HG3 LYS 7 1HG LYS 7 3.023 3.840 -4.955
45 HD2 LYS 7 2HD LYS 7 4.450 5.617 -5.542
46 HD3 LYS 7 1HD LYS 7 3.094 6.429 -4.759
47 HE2 LYS 7 2HE LYS 7 4.314 6.837 -2.782
48 HE3 LYS 7 1HE LYS 7 5.508 5.577 -3.152
49 HZ1 LYS 7 3HZ LYS 7 5.089 8.072 -4.719
50 HZ2 LYS 7 1HZ LYS 7 6.223 6.861 -5.073
51 HZ3 LYS 7 2HZ LYS 7 6.382 7.784 -3.655
52 H GLY 8 H GLY 8 2.383 6.191 -0.575
53 HA2 GLY 8 2HA GLY 8 5.162 6.898 -0.312
54 HA3 GLY 8 1HA GLY 8 3.827 7.656 0.559
55 H HIS 9 H HIS 9 2.829 5.269 1.818
56 HA HIS 9 HA HIS 9 4.366 5.174 4.212
57 HB2 HIS 9 2HB HIS 9 1.938 4.549 3.801
58 HB3 HIS 9 1HB HIS 9 2.518 3.041 3.097
59 HD1 HIS 9 HD1 HIS 9 2.016 4.781 6.349
60 HD2 HIS 9 HD2 HIS 9 3.795 1.265 4.987
61 HE1 HIS 9 HE1 HIS 9 2.454 3.358 8.399
62 H CYS 10 H CYS 10 4.234 2.874 1.463
63 HA CYS 10 HA CYS 10 6.119 0.982 2.505
64 HB2 CYS 10 2HB CYS 10 4.440 1.074 0.420
65 HB3 CYS 10 1HB CYS 10 5.903 1.560 -0.428
66 H ARG 11 H ARG 11 6.537 3.906 0.498
67 HA ARG 11 HA ARG 11 9.363 3.633 0.038
68 HB2 ARG 11 2HB ARG 11 7.247 5.382 -0.596
69 HB3 ARG 11 1HB ARG 11 8.402 6.372 0.293
70 HG2 ARG 11 2HG ARG 11 10.213 5.525 -1.221
71 HG3 ARG 11 1HG ARG 11 8.976 4.690 -2.163
72 HD2 ARG 11 2HD ARG 11 7.922 7.230 -2.014
73 HD3 ARG 11 1HD ARG 11 9.663 7.560 -2.115
74 HE ARG 11 HE ARG 11 8.165 5.876 -4.091
75 HH11 ARG 11 1HH2 ARG 11 9.150 8.707 -4.692
76 HH12 ARG 11 2HH2 ARG 11 10.608 8.376 -5.565
77 HH21 ARG 11 2HH1 ARG 11 10.777 5.058 -4.539
78 HH22 ARG 11 1HH1 ARG 11 11.531 6.302 -5.478
79 H ALA 12 H ALA 12 7.453 5.219 2.601
80 HA ALA 12 HA ALA 12 9.657 6.365 4.054
81 HB1 ALA 12 3HB ALA 12 7.022 5.389 5.183
82 HB2 ALA 12 1HB ALA 12 7.128 6.829 4.170
83 HB3 ALA 12 2HB ALA 12 7.980 6.772 5.713
84 H ARG 13 H ARG 13 8.208 3.150 3.995
85 HA ARG 13 HA ARG 13 9.671 2.237 6.386
86 HB2 ARG 13 2HB ARG 13 7.754 1.042 4.376
87 HB3 ARG 13 1HB ARG 13 8.539 0.047 5.601
88 HG2 ARG 13 2HG ARG 13 7.350 2.533 6.651
89 HG3 ARG 13 1HG ARG 13 6.178 1.401 5.977
90 HD2 ARG 13 2HD ARG 13 8.178 0.026 7.610
91 HD3 ARG 13 1HD ARG 13 7.286 1.251 8.536
92 HE ARG 13 HE ARG 13 5.716 -0.572 6.787
93 HH11 ARG 13 2HH1 ARG 13 4.609 1.257 8.974
94 HH12 ARG 13 1HH1 ARG 13 4.268 0.109 10.225
95 HH21 ARG 13 1HH2 ARG 13 6.196 -2.408 8.803
96 HH22 ARG 13 2HH2 ARG 13 5.169 -1.973 10.128
97 H ARG 14 H ARG 14 10.781 2.978 3.433
98 HA ARG 14 HA ARG 14 12.666 2.341 2.188
99 HB2 ARG 14 2HB ARG 14 13.445 2.067 4.629
100 HB3 ARG 14 1HB ARG 14 13.169 0.341 4.402
101 HG2 ARG 14 2HG ARG 14 14.653 0.511 2.330
102 HG3 ARG 14 1HG ARG 14 15.099 2.120 2.900
103 HD2 ARG 14 2HD ARG 14 16.578 1.223 4.361
104 HD3 ARG 14 1HD ARG 14 15.296 0.236 5.088
105 HE ARG 14 HE ARG 14 16.062 -0.858 2.530
106 HH11 ARG 14 2HH1 ARG 14 18.580 -0.204 4.307
107 HH12 ARG 14 1HH1 ARG 14 18.867 -1.773 4.981
108 HH21 ARG 14 1HH2 ARG 14 15.763 -3.031 4.035
109 HH22 ARG 14 2HH2 ARG 14 17.265 -3.381 4.827
110 H CYS 15 H CYS 15 10.410 1.263 1.190
111 HA CYS 15 HA CYS 15 11.113 -1.595 0.631
112 HB2 CYS 15 2HB CYS 15 8.403 -0.260 0.842
113 HB3 CYS 15 1HB CYS 15 8.670 -1.957 0.473
114 H GLY 16 H GLY 16 11.052 -2.202 -1.539
115 HA2 GLY 16 2HA GLY 16 10.706 0.010 -3.492
116 HA3 GLY 16 1HA GLY 16 11.619 -1.466 -3.786
117 H TYR 17 H TYR 17 8.691 -2.213 -2.226
118 HA TYR 17 HA TYR 17 7.173 -2.461 -4.780
119 HB2 TYR 17 2HB TYR 17 8.778 -4.454 -4.040
120 HB3 TYR 17 1HB TYR 17 7.423 -4.838 -2.983
121 HD1 TYR 17 HD1 TYR 17 8.508 -4.464 -6.492
122 HD2 TYR 17 HD2 TYR 17 5.308 -5.619 -3.869
123 HE1 TYR 17 HE1 TYR 17 7.322 -5.511 -8.402
124 HE2 TYR 17 HE2 TYR 17 4.120 -6.665 -5.779
125 HH TYR 17 HH TYR 17 5.241 -7.666 -8.310
126 H TYR 18 H TYR 18 4.913 -2.485 -4.427
127 HA TYR 18 HA TYR 18 3.812 -2.932 -1.745
128 HB2 TYR 18 2HB TYR 18 3.348 -0.735 -1.184
129 HB3 TYR 18 1HB TYR 18 4.823 -0.485 -2.109
130 HD1 TYR 18 HD1 TYR 18 4.674 0.226 -4.524
131 HD2 TYR 18 HD2 TYR 18 1.241 0.103 -1.940
132 HE1 TYR 18 HE1 TYR 18 3.431 1.683 -6.100
133 HE2 TYR 18 HE2 TYR 18 0.003 1.559 -3.516
134 HH TYR 18 HH TYR 18 0.689 1.995 -6.542
135 H VAL 19 H VAL 19 1.585 -3.418 -1.869
136 HA VAL 19 HA VAL 19 0.343 -3.260 -4.601
137 HB VAL 19 HB VAL 19 0.146 -5.347 -2.400
138 HG11 VAL 19 1HG1 VAL 19 -1.402 -5.018 -4.977
139 HG12 VAL 19 2HG1 VAL 19 -2.043 -5.206 -3.345
140 HG13 VAL 19 3HG1 VAL 19 -1.261 -6.568 -4.147
141 HG21 VAL 19 3HG2 VAL 19 1.253 -6.799 -3.952
142 HG22 VAL 19 1HG2 VAL 19 2.170 -5.294 -3.964
143 HG23 VAL 19 2HG2 VAL 19 1.048 -5.652 -5.275
144 H SER 20 H SER 20 -1.382 -1.858 -4.609
145 HA SER 20 HA SER 20 -2.972 -1.556 -2.079
146 HB2 SER 20 2HB SER 20 -3.217 0.806 -2.714
147 HB3 SER 20 1HB SER 20 -1.510 0.379 -2.647
148 HG SER 20 HG SER 20 -1.419 0.382 -4.826
149 H VAL 21 H VAL 21 -5.176 -1.780 -2.291
150 HA VAL 21 HA VAL 21 -6.451 -1.633 -4.975
151 HB VAL 21 HB VAL 21 -6.110 -4.078 -3.232
152 HG11 VAL 21 1HG1 VAL 21 -8.404 -3.445 -5.086
153 HG12 VAL 21 2HG1 VAL 21 -8.458 -4.128 -3.461
154 HG13 VAL 21 3HG1 VAL 21 -7.887 -5.108 -4.811
155 HG21 VAL 21 3HG2 VAL 21 -5.798 -5.078 -5.570
156 HG22 VAL 21 1HG2 VAL 21 -4.557 -3.943 -5.041
157 HG23 VAL 21 2HG2 VAL 21 -5.805 -3.420 -6.171
158 H LEU 22 H LEU 22 -8.463 -0.691 -4.751
159 HA LEU 22 HA LEU 22 -9.630 -0.502 -1.997
160 HB2 LEU 22 2HB LEU 22 -8.919 1.464 -3.725
161 HB3 LEU 22 1HB LEU 22 -10.577 1.190 -4.262
162 HG LEU 22 HG LEU 22 -9.941 1.512 -1.332
163 HD11 LEU 22 1HD1 LEU 22 -10.388 3.676 -3.404
164 HD12 LEU 22 2HD1 LEU 22 -9.015 3.506 -2.309
165 HD13 LEU 22 3HD1 LEU 22 -10.602 3.940 -1.673
166 HD21 LEU 22 3HD2 LEU 22 -12.157 0.688 -1.838
167 HD22 LEU 22 1HD2 LEU 22 -12.385 1.918 -3.081
168 HD23 LEU 22 2HD2 LEU 22 -12.316 2.384 -1.381
169 H TYR 23 H TYR 23 -11.290 -1.938 -1.705
170 HA TYR 23 HA TYR 23 -13.328 -2.259 -3.848
171 HB2 TYR 23 2HB TYR 23 -11.425 -3.949 -4.057
172 HB3 TYR 23 1HB TYR 23 -11.965 -4.600 -2.510
173 HD1 TYR 23 HD1 TYR 23 -13.105 -3.843 -5.983
174 HD2 TYR 23 HD2 TYR 23 -13.807 -6.074 -2.380
175 HE1 TYR 23 HE1 TYR 23 -14.866 -5.152 -7.137
176 HE2 TYR 23 HE2 TYR 23 -15.568 -7.383 -3.534
177 HH TYR 23 HH TYR 23 -17.163 -6.705 -5.815
178 H ARG 24 H ARG 24 -15.337 -3.147 -3.029
179 HA ARG 24 HA ARG 24 -17.060 -3.299 -1.435
180 HB2 ARG 24 2HB ARG 24 -15.271 -5.227 -1.046
181 HB3 ARG 24 1HB ARG 24 -15.025 -4.377 0.478
182 HG2 ARG 24 2HG ARG 24 -17.686 -4.432 0.538
183 HG3 ARG 24 1HG ARG 24 -17.449 -5.825 -0.517
184 HD2 ARG 24 2HD ARG 24 -15.587 -6.327 1.440
185 HD3 ARG 24 1HD ARG 24 -16.883 -5.550 2.371
186 HE ARG 24 HE ARG 24 -17.375 -7.877 0.542
187 HH11 ARG 24 2HH1 ARG 24 -16.957 -8.234 3.555
188 HH12 ARG 24 1HH1 ARG 24 -18.596 -8.327 4.108
189 HH21 ARG 24 1HH2 ARG 24 -19.934 -7.042 1.168
190 HH22 ARG 24 2HH2 ARG 24 -20.288 -7.649 2.750
191 H GLY 25 H GLY 25 -15.427 -0.795 -1.435
192 HA2 GLY 25 2HA GLY 25 -15.332 1.170 -0.154
193 HA3 GLY 25 1HA GLY 25 -16.487 0.415 0.945
194 H ARG 26 H ARG 26 -13.391 -1.060 0.167
195 HA ARG 26 HA ARG 26 -12.338 -0.305 2.859
196 HB2 ARG 26 2HB ARG 26 -13.527 -2.606 2.614
197 HB3 ARG 26 1HB ARG 26 -12.113 -3.074 1.669
198 HG2 ARG 26 2HG ARG 26 -11.643 -3.739 3.918
199 HG3 ARG 26 1HG ARG 26 -10.695 -2.278 3.638
200 HD2 ARG 26 2HD ARG 26 -12.808 -1.038 4.602
201 HD3 ARG 26 1HD ARG 26 -13.178 -2.624 5.305
202 HE ARG 26 HE ARG 26 -10.481 -1.380 5.690
203 HH11 ARG 26 1HH2 ARG 26 -11.242 -4.108 6.800
204 HH12 ARG 26 2HH2 ARG 26 -11.620 -3.715 8.444
205 HH21 ARG 26 2HH1 ARG 26 -11.888 -0.302 7.837
206 HH22 ARG 26 1HH1 ARG 26 -11.987 -1.550 9.034
207 H CYS 27 H CYS 27 -10.006 -0.373 2.968
208 HA CYS 27 HA CYS 27 -8.714 -0.158 0.286
209 HB2 CYS 27 2HB CYS 27 -8.815 1.765 1.983
210 HB3 CYS 27 1HB CYS 27 -7.685 0.824 2.958
211 H TYR 28 H TYR 28 -7.366 -1.762 -0.284
212 HA TYR 28 HA TYR 28 -6.254 -3.597 1.800
213 HB2 TYR 28 2HB TYR 28 -6.708 -3.882 -1.194
214 HB3 TYR 28 1HB TYR 28 -6.045 -5.143 -0.159
215 HD1 TYR 28 HD1 TYR 28 -9.064 -3.020 -0.726
216 HD2 TYR 28 HD2 TYR 28 -7.463 -6.547 1.128
217 HE1 TYR 28 HE1 TYR 28 -11.356 -3.752 -0.146
218 HE2 TYR 28 HE2 TYR 28 -9.760 -7.280 1.712
219 HH TYR 28 HH TYR 28 -12.438 -6.189 0.325
220 H CYS 29 H CYS 29 -4.325 -2.456 2.333
221 HA CYS 29 HA CYS 29 -2.516 -1.731 0.064
222 HB2 CYS 29 2HB CYS 29 -2.857 -0.788 2.910
223 HB3 CYS 29 1HB CYS 29 -1.434 -0.365 1.959
224 H LYS 30 H LYS 30 -0.391 -2.479 0.034
225 HA LYS 30 HA LYS 30 0.543 -4.282 2.216
226 HB2 LYS 30 2HB LYS 30 -0.136 -4.928 -0.620
227 HB3 LYS 30 1HB LYS 30 1.293 -5.704 0.059
228 HG2 LYS 30 2HG LYS 30 -0.835 -5.820 1.990
229 HG3 LYS 30 1HG LYS 30 -1.428 -6.432 0.447
230 HD2 LYS 30 2HD LYS 30 1.087 -7.357 1.873
231 HD3 LYS 30 1HD LYS 30 -0.427 -8.251 1.775
232 HE2 LYS 30 2HE LYS 30 1.262 -7.442 -0.626
233 HE3 LYS 30 1HE LYS 30 1.210 -9.065 0.086
234 HZ1 LYS 30 3HZ LYS 30 -1.017 -7.560 -1.169
235 HZ2 LYS 30 1HZ LYS 30 -1.278 -8.923 -0.193
236 HZ3 LYS 30 2HZ LYS 30 -0.387 -9.066 -1.632
237 H CYS 31 H CYS 31 2.830 -4.421 2.317
238 HA CYS 31 HA CYS 31 4.393 -2.693 0.423
239 HB2 CYS 31 2HB CYS 31 3.771 -1.621 2.643
240 HB3 CYS 31 1HB CYS 31 4.709 -2.882 3.430
241 H LEU 32 H LEU 32 6.071 -3.887 -0.424
242 HA LEU 32 HA LEU 32 7.200 -6.137 1.192
243 HB2 LEU 32 2HB LEU 32 6.451 -6.171 -1.750
244 HB3 LEU 32 1HB LEU 32 7.134 -7.519 -0.848
245 HG LEU 32 HG LEU 32 4.951 -6.803 0.696
246 HD11 LEU 32 1HD1 LEU 32 4.198 -5.274 -1.119
247 HD12 LEU 32 2HD1 LEU 32 3.065 -6.599 -0.855
248 HD13 LEU 32 3HD1 LEU 32 4.167 -6.643 -2.232
249 HD21 LEU 32 3HD2 LEU 32 5.291 -8.865 -1.496
250 HD22 LEU 32 1HD2 LEU 32 3.895 -8.842 -0.420
251 HD23 LEU 32 2HD2 LEU 32 5.511 -9.089 0.239
252 H ARG 33 H ARG 33 9.227 -7.017 -0.161
253 HA ARG 33 HA ARG 33 11.452 -6.581 -0.796
254 HB2 ARG 33 2HB ARG 33 10.023 -4.381 -2.333
255 HB3 ARG 33 1HB ARG 33 11.623 -5.017 -2.703
256 HG2 ARG 33 2HG ARG 33 9.069 -6.656 -2.697
257 HG3 ARG 33 1HG ARG 33 9.844 -6.010 -4.143
258 HD2 ARG 33 2HD ARG 33 11.967 -7.272 -3.343
259 HD3 ARG 33 1HD ARG 33 10.859 -8.164 -2.281
260 HE ARG 33 HE ARG 33 9.525 -8.351 -4.628
261 HH11 ARG 33 2HH1 ARG 33 11.901 -7.716 -6.250
262 HH12 ARG 33 1HH1 ARG 33 12.643 -9.263 -6.487
263 HH21 ARG 33 1HH2 ARG 33 10.894 -10.788 -3.898
264 HH22 ARG 33 2HH2 ARG 33 12.069 -11.010 -5.151
265 H CYS 34 HN CYS 34 11.153 -5.673 1.689
266 HA CYS 34 HA CYS 34 11.980 -2.812 1.755
267 HB2 CYS 34 2HB CYS 34 11.083 -4.701 3.954
268 HB3 CYS 34 1HB CYS 34 11.310 -2.960 4.114
Start of MODEL 17
1 H1 SER 1 1H SER 1 -5.638 7.073 -4.912
2 H2 SER 1 2H SER 1 -6.822 8.231 -5.292
3 H3 SER 1 3H SER 1 -7.232 6.863 -4.370
4 HA SER 1 HA SER 1 -5.463 9.108 -3.529
5 HB2 SER 1 2HB SER 1 -8.076 9.205 -3.679
6 HB3 SER 1 1HB SER 1 -8.031 8.143 -2.276
7 HG SER 1 HG SER 1 -8.017 10.583 -2.014
8 H CYS 2 H CYS 2 -7.216 6.245 -2.227
9 HA CYS 2 HA CYS 2 -5.626 5.900 0.102
10 HB2 CYS 2 2HB CYS 2 -7.882 4.840 -0.781
11 HB3 CYS 2 1HB CYS 2 -6.813 3.581 -1.396
12 H ALA 3 H ALA 3 -5.241 4.498 -3.166
13 HA ALA 3 HA ALA 3 -3.055 2.753 -2.585
14 HB1 ALA 3 3HB ALA 3 -4.527 2.870 -4.649
15 HB2 ALA 3 1HB ALA 3 -2.804 2.714 -4.990
16 HB3 ALA 3 2HB ALA 3 -3.594 4.282 -5.148
17 H SER 4 H SER 4 -3.110 6.198 -3.534
18 HA SER 4 HA SER 4 -0.272 6.525 -3.827
19 HB2 SER 4 2HB SER 4 -2.527 8.424 -3.118
20 HB3 SER 4 1HB SER 4 -0.895 8.954 -3.513
21 HG SER 4 HG SER 4 -1.138 8.180 -5.555
22 H ARG 5 H ARG 5 -2.452 6.888 -1.027
23 HA ARG 5 HA ARG 5 -0.485 7.931 0.803
24 HB2 ARG 5 2HB ARG 5 -3.028 7.919 1.008
25 HB3 ARG 5 1HB ARG 5 -2.910 6.210 1.424
26 HG2 ARG 5 2HG ARG 5 -1.043 7.333 3.105
27 HG3 ARG 5 1HG ARG 5 -2.282 8.587 3.046
28 HD2 ARG 5 2HD ARG 5 -3.782 6.261 3.301
29 HD3 ARG 5 1HD ARG 5 -2.377 5.956 4.341
30 HE ARG 5 HE ARG 5 -2.864 8.322 5.279
31 HH11 ARG 5 2HH1 ARG 5 -5.262 8.844 3.571
32 HH12 ARG 5 1HH1 ARG 5 -6.566 8.380 4.611
33 HH21 ARG 5 1HH2 ARG 5 -4.536 6.585 6.788
34 HH22 ARG 5 2HH2 ARG 5 -6.154 7.095 6.440
35 H CYS 6 H CYS 6 -1.591 4.634 0.040
36 HA CYS 6 HA CYS 6 0.037 3.260 1.980
37 HB2 CYS 6 2HB CYS 6 -1.185 2.469 -0.677
38 HB3 CYS 6 1HB CYS 6 -0.469 1.318 0.451
39 H LYS 7 H LYS 7 0.580 4.301 -1.370
40 HA LYS 7 HA LYS 7 3.029 2.937 -1.891
41 HB2 LYS 7 2HB LYS 7 1.475 4.254 -3.443
42 HB3 LYS 7 1HB LYS 7 2.230 5.716 -2.810
43 HG2 LYS 7 2HG LYS 7 4.185 3.693 -3.632
44 HG3 LYS 7 1HG LYS 7 3.155 4.228 -4.959
45 HD2 LYS 7 2HD LYS 7 4.226 6.205 -5.073
46 HD3 LYS 7 1HD LYS 7 3.958 6.497 -3.355
47 HE2 LYS 7 2HE LYS 7 6.347 6.449 -3.655
48 HE3 LYS 7 1HE LYS 7 5.923 4.885 -2.930
49 HZ1 LYS 7 3HZ LYS 7 5.884 3.869 -5.075
50 HZ2 LYS 7 1HZ LYS 7 7.355 4.702 -4.944
51 HZ3 LYS 7 2HZ LYS 7 6.086 5.361 -5.861
52 H GLY 8 H GLY 8 2.384 6.142 -0.438
53 HA2 GLY 8 2HA GLY 8 5.145 6.842 -0.035
54 HA3 GLY 8 1HA GLY 8 3.775 7.571 0.802
55 H HIS 9 H HIS 9 2.741 5.137 1.951
56 HA HIS 9 HA HIS 9 4.210 4.989 4.393
57 HB2 HIS 9 2HB HIS 9 1.756 4.286 3.584
58 HB3 HIS 9 1HB HIS 9 2.520 2.703 3.448
59 HD1 HIS 9 HD1 HIS 9 4.468 3.007 5.897
60 HD2 HIS 9 HD2 HIS 9 0.384 3.839 5.993
61 HE1 HIS 9 HE1 HIS 9 3.754 2.818 8.320
62 H CYS 10 H CYS 10 4.241 2.886 1.506
63 HA CYS 10 HA CYS 10 6.061 0.911 2.592
64 HB2 CYS 10 2HB CYS 10 4.398 0.986 0.517
65 HB3 CYS 10 1HB CYS 10 5.824 1.569 -0.331
66 H ARG 11 H ARG 11 6.467 3.855 0.622
67 HA ARG 11 HA ARG 11 9.296 3.636 0.179
68 HB2 ARG 11 2HB ARG 11 7.233 5.288 -0.575
69 HB3 ARG 11 1HB ARG 11 8.115 6.327 0.543
70 HG2 ARG 11 2HG ARG 11 9.459 4.809 -1.706
71 HG3 ARG 11 1HG ARG 11 8.878 6.466 -1.874
72 HD2 ARG 11 2HD ARG 11 10.289 6.805 0.377
73 HD3 ARG 11 1HD ARG 11 11.191 5.427 -0.284
74 HE ARG 11 HE ARG 11 11.579 6.743 -2.329
75 HH11 ARG 11 2HH1 ARG 11 12.562 8.436 0.024
76 HH12 ARG 11 1HH1 ARG 11 11.916 9.988 -0.392
77 HH21 ARG 11 1HH2 ARG 11 9.694 8.722 -2.748
78 HH22 ARG 11 2HH2 ARG 11 10.286 10.151 -1.970
79 H ALA 12 H ALA 12 7.352 5.168 2.745
80 HA ALA 12 HA ALA 12 9.491 6.340 4.246
81 HB1 ALA 12 3HB ALA 12 6.852 5.197 5.224
82 HB2 ALA 12 1HB ALA 12 7.014 6.768 4.438
83 HB3 ALA 12 2HB ALA 12 7.793 6.476 5.992
84 H ARG 13 H ARG 13 8.182 3.054 4.133
85 HA ARG 13 HA ARG 13 9.752 2.159 6.464
86 HB2 ARG 13 2HB ARG 13 7.384 1.433 5.695
87 HB3 ARG 13 1HB ARG 13 8.222 0.475 4.474
88 HG2 ARG 13 2HG ARG 13 7.993 -1.051 6.241
89 HG3 ARG 13 1HG ARG 13 9.622 -0.424 6.491
90 HD2 ARG 13 2HD ARG 13 8.611 -0.309 8.647
91 HD3 ARG 13 1HD ARG 13 8.479 1.347 8.025
92 HE ARG 13 HE ARG 13 6.137 1.035 7.806
93 HH11 ARG 13 1HH2 ARG 13 6.869 -1.180 9.961
94 HH12 ARG 13 2HH2 ARG 13 5.837 -2.454 9.402
95 HH21 ARG 13 2HH1 ARG 13 5.193 -0.942 6.338
96 HH22 ARG 13 1HH1 ARG 13 4.885 -2.319 7.341
97 H ARG 14 H ARG 14 10.764 3.020 3.519
98 HA ARG 14 HA ARG 14 12.640 2.496 2.212
99 HB2 ARG 14 2HB ARG 14 13.487 2.145 4.625
100 HB3 ARG 14 1HB ARG 14 13.266 0.422 4.324
101 HG2 ARG 14 2HG ARG 14 14.746 0.596 2.336
102 HG3 ARG 14 1HG ARG 14 15.004 2.303 2.698
103 HD2 ARG 14 2HD ARG 14 16.154 1.805 4.735
104 HD3 ARG 14 1HD ARG 14 15.616 0.113 4.707
105 HE ARG 14 HE ARG 14 17.396 1.222 2.565
106 HH11 ARG 14 1HH2 ARG 14 16.089 -1.628 2.772
107 HH12 ARG 14 2HH2 ARG 14 17.484 -2.551 3.229
108 HH21 ARG 14 2HH1 ARG 14 19.379 0.237 4.073
109 HH22 ARG 14 1HH1 ARG 14 19.351 -1.491 3.970
110 H CYS 15 H CYS 15 10.427 1.413 1.188
111 HA CYS 15 HA CYS 15 11.191 -1.398 0.488
112 HB2 CYS 15 2HB CYS 15 8.434 -0.192 0.857
113 HB3 CYS 15 1HB CYS 15 8.768 -1.864 0.430
114 H GLY 16 H GLY 16 11.012 -1.915 -1.714
115 HA2 GLY 16 2HA GLY 16 10.485 0.390 -3.527
116 HA3 GLY 16 1HA GLY 16 11.472 -1.008 -3.939
117 H TYR 17 H TYR 17 8.764 -2.158 -2.327
118 HA TYR 17 HA TYR 17 7.139 -2.365 -4.833
119 HB2 TYR 17 2HB TYR 17 8.845 -4.287 -4.098
120 HB3 TYR 17 1HB TYR 17 7.508 -4.726 -3.040
121 HD1 TYR 17 HD2 TYR 17 5.362 -5.476 -3.952
122 HD2 TYR 17 HD1 TYR 17 8.641 -4.431 -6.524
123 HE1 TYR 17 HE2 TYR 17 4.220 -6.578 -5.856
124 HE2 TYR 17 HE1 TYR 17 7.499 -5.535 -8.427
125 HH TYR 17 HH TYR 17 5.592 -7.580 -8.492
126 H TYR 18 H TYR 18 4.892 -2.427 -4.419
127 HA TYR 18 HA TYR 18 3.868 -2.944 -1.718
128 HB2 TYR 18 2HB TYR 18 3.337 -0.758 -1.123
129 HB3 TYR 18 1HB TYR 18 4.831 -0.487 -2.011
130 HD1 TYR 18 HD1 TYR 18 4.747 0.292 -4.393
131 HD2 TYR 18 HD2 TYR 18 1.225 0.053 -1.939
132 HE1 TYR 18 HE1 TYR 18 3.538 1.765 -5.977
133 HE2 TYR 18 HE2 TYR 18 0.020 1.525 -3.525
134 HH TYR 18 HH TYR 18 1.082 2.166 -6.608
135 H VAL 19 H VAL 19 1.596 -3.259 -1.718
136 HA VAL 19 HA VAL 19 0.312 -3.310 -4.431
137 HB VAL 19 HB VAL 19 -0.241 -5.003 -1.967
138 HG11 VAL 19 1HG1 VAL 19 -1.243 -5.033 -4.816
139 HG12 VAL 19 2HG1 VAL 19 -2.186 -4.998 -3.326
140 HG13 VAL 19 3HG1 VAL 19 -1.326 -6.466 -3.790
141 HG21 VAL 19 3HG2 VAL 19 0.804 -6.643 -3.956
142 HG22 VAL 19 1HG2 VAL 19 1.674 -6.075 -2.530
143 HG23 VAL 19 2HG2 VAL 19 1.808 -5.195 -4.054
144 H SER 20 H SER 20 -1.851 -2.520 -4.559
145 HA SER 20 HA SER 20 -3.158 -1.505 -2.107
146 HB2 SER 20 2HB SER 20 -3.228 0.800 -3.014
147 HB3 SER 20 1HB SER 20 -1.567 0.254 -2.798
148 HG SER 20 HG SER 20 -1.315 0.154 -4.921
149 H VAL 21 H VAL 21 -5.347 -1.686 -2.298
150 HA VAL 21 HA VAL 21 -6.657 -1.579 -4.962
151 HB VAL 21 HB VAL 21 -6.200 -4.003 -3.262
152 HG11 VAL 21 1HG1 VAL 21 -8.257 -5.043 -4.404
153 HG12 VAL 21 2HG1 VAL 21 -8.797 -3.387 -4.681
154 HG13 VAL 21 3HG1 VAL 21 -8.564 -3.975 -3.035
155 HG21 VAL 21 3HG2 VAL 21 -6.360 -5.034 -5.600
156 HG22 VAL 21 1HG2 VAL 21 -5.028 -3.910 -5.340
157 HG23 VAL 21 2HG2 VAL 21 -6.468 -3.384 -6.212
158 H LEU 22 H LEU 22 -8.643 -0.585 -4.730
159 HA LEU 22 HA LEU 22 -9.751 -0.310 -1.957
160 HB2 LEU 22 2HB LEU 22 -8.985 1.623 -3.681
161 HB3 LEU 22 1HB LEU 22 -10.645 1.402 -4.236
162 HG LEU 22 HG LEU 22 -9.982 1.754 -1.309
163 HD11 LEU 22 1HD1 LEU 22 -9.152 3.687 -2.758
164 HD12 LEU 22 2HD1 LEU 22 -10.324 4.115 -1.511
165 HD13 LEU 22 3HD1 LEU 22 -10.839 3.965 -3.191
166 HD21 LEU 22 3HD2 LEU 22 -12.471 2.077 -3.011
167 HD22 LEU 22 1HD2 LEU 22 -12.373 2.591 -1.328
168 HD23 LEU 22 2HD2 LEU 22 -12.195 0.886 -1.741
169 H TYR 23 H TYR 23 -11.311 -1.889 -1.710
170 HA TYR 23 HA TYR 23 -13.456 -2.056 -3.782
171 HB2 TYR 23 2HB TYR 23 -11.590 -3.790 -4.045
172 HB3 TYR 23 1HB TYR 23 -12.145 -4.461 -2.513
173 HD1 TYR 23 HD1 TYR 23 -13.207 -3.651 -5.988
174 HD2 TYR 23 HD2 TYR 23 -14.101 -5.807 -2.381
175 HE1 TYR 23 HE1 TYR 23 -15.018 -4.871 -7.165
176 HE2 TYR 23 HE2 TYR 23 -15.910 -7.025 -3.558
177 HH TYR 23 HH TYR 23 -17.430 -6.361 -5.778
178 H ARG 24 H ARG 24 -15.480 -2.787 -2.935
179 HA ARG 24 HA ARG 24 -17.172 -2.922 -1.305
180 HB2 ARG 24 2HB ARG 24 -15.477 -4.960 -1.046
181 HB3 ARG 24 1HB ARG 24 -15.167 -4.197 0.512
182 HG2 ARG 24 2HG ARG 24 -17.678 -4.176 0.883
183 HG3 ARG 24 1HG ARG 24 -17.822 -5.189 -0.553
184 HD2 ARG 24 2HD ARG 24 -16.176 -6.797 0.565
185 HD3 ARG 24 1HD ARG 24 -16.420 -5.858 2.051
186 HE ARG 24 HE ARG 24 -18.663 -7.178 0.558
187 HH11 ARG 24 2HH1 ARG 24 -19.418 -5.090 2.566
188 HH12 ARG 24 1HH1 ARG 24 -19.663 -6.028 4.000
189 HH21 ARG 24 1HH2 ARG 24 -17.982 -8.815 2.777
190 HH22 ARG 24 2HH2 ARG 24 -18.847 -8.147 4.120
191 H GLY 25 H GLY 25 -15.382 -0.522 -1.232
192 HA2 GLY 25 2HA GLY 25 -15.161 1.379 0.131
193 HA3 GLY 25 1HA GLY 25 -16.305 0.626 1.242
194 H ARG 26 H ARG 26 -13.373 -1.038 0.306
195 HA ARG 26 HA ARG 26 -12.166 -0.449 2.976
196 HB2 ARG 26 2HB ARG 26 -13.350 -2.616 2.956
197 HB3 ARG 26 1HB ARG 26 -12.448 -3.103 1.525
198 HG2 ARG 26 2HG ARG 26 -11.372 -4.111 3.442
199 HG3 ARG 26 1HG ARG 26 -10.325 -2.819 2.858
200 HD2 ARG 26 2HD ARG 26 -11.982 -1.499 4.659
201 HD3 ARG 26 1HD ARG 26 -11.694 -3.065 5.440
202 HE ARG 26 HE ARG 26 -9.191 -2.311 4.469
203 HH11 ARG 26 1HH2 ARG 26 -10.288 0.486 5.009
204 HH12 ARG 26 2HH2 ARG 26 -9.743 0.753 6.630
205 HH21 ARG 26 2HH1 ARG 26 -9.047 -2.600 7.228
206 HH22 ARG 26 1HH1 ARG 26 -9.037 -1.001 7.891
207 H CYS 27 H CYS 27 -9.873 -0.393 2.962
208 HA CYS 27 HA CYS 27 -8.653 -0.266 0.245
209 HB2 CYS 27 2HB CYS 27 -8.724 1.656 2.032
210 HB3 CYS 27 1HB CYS 27 -7.412 0.755 2.791
211 H TYR 28 H TYR 28 -7.377 -1.936 -0.309
212 HA TYR 28 HA TYR 28 -6.214 -3.698 1.804
213 HB2 TYR 28 2HB TYR 28 -6.714 -4.105 -1.169
214 HB3 TYR 28 1HB TYR 28 -6.126 -5.340 -0.058
215 HD1 TYR 28 HD1 TYR 28 -9.037 -3.232 -0.966
216 HD2 TYR 28 HD2 TYR 28 -7.608 -6.444 1.498
217 HE1 TYR 28 HE1 TYR 28 -11.369 -3.796 -0.355
218 HE2 TYR 28 HE2 TYR 28 -9.945 -7.010 2.111
219 HH TYR 28 HH TYR 28 -12.195 -5.686 2.205
220 H CYS 29 H CYS 29 -4.262 -2.575 2.244
221 HA CYS 29 HA CYS 29 -2.485 -1.999 -0.095
222 HB2 CYS 29 2HB CYS 29 -2.793 -0.839 2.675
223 HB3 CYS 29 1HB CYS 29 -1.384 -0.489 1.674
224 H LYS 30 H LYS 30 -0.251 -2.551 0.068
225 HA LYS 30 HA LYS 30 0.654 -4.241 2.330
226 HB2 LYS 30 2HB LYS 30 -0.431 -5.275 -0.084
227 HB3 LYS 30 1HB LYS 30 1.310 -5.547 -0.159
228 HG2 LYS 30 2HG LYS 30 0.963 -6.331 2.352
229 HG3 LYS 30 1HG LYS 30 -0.691 -6.603 1.805
230 HD2 LYS 30 2HD LYS 30 1.133 -7.618 -0.179
231 HD3 LYS 30 1HD LYS 30 1.566 -8.280 1.398
232 HE2 LYS 30 2HE LYS 30 -0.066 -9.815 0.746
233 HE3 LYS 30 1HE LYS 30 -1.086 -8.624 1.575
234 HZ1 LYS 30 3HZ LYS 30 -1.270 -7.447 -0.600
235 HZ2 LYS 30 1HZ LYS 30 -2.011 -8.973 -0.579
236 HZ3 LYS 30 2HZ LYS 30 -0.503 -8.774 -1.336
237 H CYS 31 H CYS 31 2.975 -4.515 2.319
238 HA CYS 31 HA CYS 31 4.497 -2.753 0.421
239 HB2 CYS 31 2HB CYS 31 3.918 -1.760 2.702
240 HB3 CYS 31 1HB CYS 31 4.912 -3.025 3.409
241 H LEU 32 H LEU 32 6.226 -3.872 -0.458
242 HA LEU 32 HA LEU 32 7.367 -6.180 1.063
243 HB2 LEU 32 2HB LEU 32 6.477 -6.100 -1.837
244 HB3 LEU 32 1HB LEU 32 7.354 -7.438 -1.105
245 HG LEU 32 HG LEU 32 5.212 -6.947 0.641
246 HD11 LEU 32 1HD1 LEU 32 4.299 -6.931 -2.254
247 HD12 LEU 32 2HD1 LEU 32 4.159 -5.580 -1.129
248 HD13 LEU 32 3HD1 LEU 32 3.247 -7.061 -0.845
249 HD21 LEU 32 3HD2 LEU 32 5.840 -9.170 0.342
250 HD22 LEU 32 1HD2 LEU 32 5.934 -9.015 -1.412
251 HD23 LEU 32 2HD2 LEU 32 4.362 -9.117 -0.619
252 H ARG 33 H ARG 33 9.405 -6.993 -0.227
253 HA ARG 33 HA ARG 33 11.627 -6.529 -0.849
254 HB2 ARG 33 2HB ARG 33 10.380 -4.306 -2.484
255 HB3 ARG 33 1HB ARG 33 11.783 -5.290 -2.887
256 HG2 ARG 33 2HG ARG 33 8.917 -6.275 -2.706
257 HG3 ARG 33 1HG ARG 33 9.824 -6.007 -4.192
258 HD2 ARG 33 2HD ARG 33 11.052 -7.939 -3.946
259 HD3 ARG 33 1HD ARG 33 11.088 -7.810 -2.176
260 HE ARG 33 HE ARG 33 8.931 -8.847 -2.081
261 HH11 ARG 33 1HH2 ARG 33 7.471 -7.495 -4.227
262 HH12 ARG 33 2HH2 ARG 33 7.324 -8.713 -5.449
263 HH21 ARG 33 2HH1 ARG 33 9.824 -10.723 -4.111
264 HH22 ARG 33 1HH1 ARG 33 8.660 -10.550 -5.382
265 H CYS 34 HN CYS 34 11.512 -5.594 1.552
266 HA CYS 34 HA CYS 34 12.137 -2.676 1.528
267 HB2 CYS 34 2HB CYS 34 11.412 -4.570 3.784
268 HB3 CYS 34 1HB CYS 34 11.586 -2.823 3.927
Start of MODEL 18
1 H1 SER 1 1H SER 1 -6.531 10.294 -3.319
2 H2 SER 1 2H SER 1 -5.349 9.981 -2.138
3 H3 SER 1 3H SER 1 -6.945 9.442 -1.913
4 HA SER 1 HA SER 1 -6.724 7.921 -3.797
5 HB2 SER 1 2HB SER 1 -3.967 9.182 -3.830
6 HB3 SER 1 1HB SER 1 -4.414 7.772 -4.786
7 HG SER 1 HG SER 1 -5.277 9.099 -6.158
8 H CYS 2 H CYS 2 -7.033 6.289 -2.275
9 HA CYS 2 HA CYS 2 -5.471 5.776 0.043
10 HB2 CYS 2 2HB CYS 2 -7.762 4.833 -0.932
11 HB3 CYS 2 1HB CYS 2 -6.719 3.550 -1.540
12 H ALA 3 H ALA 3 -5.093 4.584 -3.302
13 HA ALA 3 HA ALA 3 -2.985 2.713 -2.797
14 HB1 ALA 3 3HB ALA 3 -2.734 2.768 -5.194
15 HB2 ALA 3 1HB ALA 3 -3.424 4.388 -5.286
16 HB3 ALA 3 2HB ALA 3 -4.449 3.015 -4.865
17 H SER 4 H SER 4 -2.932 6.206 -3.566
18 HA SER 4 HA SER 4 -0.057 6.424 -3.751
19 HB2 SER 4 2HB SER 4 -2.402 8.260 -3.390
20 HB3 SER 4 1HB SER 4 -0.781 8.903 -3.150
21 HG SER 4 HG SER 4 -1.592 9.039 -5.341
22 H ARG 5 H ARG 5 -2.385 6.823 -1.085
23 HA ARG 5 HA ARG 5 -0.564 7.777 0.908
24 HB2 ARG 5 2HB ARG 5 -3.096 6.100 1.087
25 HB3 ARG 5 1HB ARG 5 -2.334 6.885 2.464
26 HG2 ARG 5 2HG ARG 5 -3.010 8.525 0.040
27 HG3 ARG 5 1HG ARG 5 -4.284 8.108 1.185
28 HD2 ARG 5 2HD ARG 5 -3.576 9.990 2.287
29 HD3 ARG 5 1HD ARG 5 -2.274 8.940 2.879
30 HE ARG 5 HE ARG 5 -0.995 9.677 0.784
31 HH11 ARG 5 2HH1 ARG 5 -0.789 11.840 2.722
32 HH12 ARG 5 1HH1 ARG 5 -1.408 13.216 1.872
33 HH21 ARG 5 1HH2 ARG 5 -2.986 11.316 -0.576
34 HH22 ARG 5 2HH2 ARG 5 -2.658 12.918 -0.004
35 H CYS 6 H CYS 6 -1.515 4.469 -0.032
36 HA CYS 6 HA CYS 6 0.044 3.119 1.996
37 HB2 CYS 6 2HB CYS 6 -1.083 2.315 -0.700
38 HB3 CYS 6 1HB CYS 6 -0.385 1.170 0.443
39 H LYS 7 H LYS 7 0.714 4.234 -1.304
40 HA LYS 7 HA LYS 7 3.214 2.882 -1.701
41 HB2 LYS 7 2HB LYS 7 1.699 4.092 -3.369
42 HB3 LYS 7 1HB LYS 7 2.364 5.601 -2.745
43 HG2 LYS 7 2HG LYS 7 4.501 3.740 -3.338
44 HG3 LYS 7 1HG LYS 7 3.472 3.960 -4.754
45 HD2 LYS 7 2HD LYS 7 4.275 6.387 -3.195
46 HD3 LYS 7 1HD LYS 7 5.471 5.640 -4.254
47 HE2 LYS 7 2HE LYS 7 4.231 6.086 -6.193
48 HE3 LYS 7 1HE LYS 7 2.698 6.193 -5.305
49 HZ1 LYS 7 3HZ LYS 7 3.217 8.262 -4.464
50 HZ2 LYS 7 1HZ LYS 7 3.892 8.367 -6.017
51 HZ3 LYS 7 2HZ LYS 7 4.892 8.064 -4.678
52 H GLY 8 H GLY 8 2.372 6.075 -0.333
53 HA2 GLY 8 2HA GLY 8 5.069 6.945 0.137
54 HA3 GLY 8 1HA GLY 8 3.638 7.575 0.955
55 H HIS 9 H HIS 9 2.737 5.107 2.100
56 HA HIS 9 HA HIS 9 4.256 5.017 4.528
57 HB2 HIS 9 2HB HIS 9 1.788 4.266 3.753
58 HB3 HIS 9 1HB HIS 9 2.584 2.694 3.672
59 HD1 HIS 9 HD1 HIS 9 4.557 3.170 6.092
60 HD2 HIS 9 HD2 HIS 9 0.444 3.851 6.189
61 HE1 HIS 9 HE1 HIS 9 3.869 3.058 8.526
62 H CYS 10 H CYS 10 4.188 2.867 1.679
63 HA CYS 10 HA CYS 10 6.085 0.935 2.696
64 HB2 CYS 10 2HB CYS 10 4.336 0.965 0.702
65 HB3 CYS 10 1HB CYS 10 5.705 1.579 -0.218
66 H ARG 11 H ARG 11 6.365 3.826 0.621
67 HA ARG 11 HA ARG 11 9.187 3.646 0.108
68 HB2 ARG 11 2HB ARG 11 7.022 5.253 -0.592
69 HB3 ARG 11 1HB ARG 11 8.055 6.342 0.329
70 HG2 ARG 11 2HG ARG 11 9.514 4.635 -1.580
71 HG3 ARG 11 1HG ARG 11 8.389 5.764 -2.336
72 HD2 ARG 11 2HD ARG 11 10.325 6.675 -0.192
73 HD3 ARG 11 1HD ARG 11 10.771 6.651 -1.910
74 HE ARG 11 HE ARG 11 8.397 8.158 -0.864
75 HH11 ARG 11 2HH1 ARG 11 8.728 7.609 -3.852
76 HH12 ARG 11 1HH1 ARG 11 9.460 9.086 -4.384
77 HH21 ARG 11 1HH2 ARG 11 10.341 10.109 -1.181
78 HH22 ARG 11 2HH2 ARG 11 10.373 10.507 -2.866
79 H ALA 12 H ALA 12 7.276 5.166 2.700
80 HA ALA 12 HA ALA 12 9.392 6.545 4.042
81 HB1 ALA 12 3HB ALA 12 7.055 6.971 4.509
82 HB2 ALA 12 1HB ALA 12 7.776 6.339 5.989
83 HB3 ALA 12 2HB ALA 12 6.789 5.290 4.971
84 H ARG 13 H ARG 13 8.325 3.165 4.131
85 HA ARG 13 HA ARG 13 10.151 2.485 6.347
86 HB2 ARG 13 2HB ARG 13 7.747 1.530 5.386
87 HB3 ARG 13 1HB ARG 13 8.892 0.340 4.767
88 HG2 ARG 13 2HG ARG 13 8.133 -0.367 6.974
89 HG3 ARG 13 1HG ARG 13 9.830 0.099 7.070
90 HD2 ARG 13 2HD ARG 13 8.428 1.022 8.959
91 HD3 ARG 13 1HD ARG 13 9.214 2.289 7.998
92 HE ARG 13 HE ARG 13 7.078 2.939 7.208
93 HH11 ARG 13 2HH1 ARG 13 6.059 1.575 9.777
94 HH12 ARG 13 1HH1 ARG 13 4.773 0.607 9.140
95 HH21 ARG 13 1HH2 ARG 13 5.830 0.911 5.840
96 HH22 ARG 13 2HH2 ARG 13 4.642 0.231 6.901
97 H ARG 14 H ARG 14 10.729 3.198 3.204
98 HA ARG 14 HA ARG 14 12.551 2.775 1.782
99 HB2 ARG 14 2HB ARG 14 13.571 2.554 4.197
100 HB3 ARG 14 1HB ARG 14 13.592 0.830 3.830
101 HG2 ARG 14 2HG ARG 14 14.791 1.450 1.656
102 HG3 ARG 14 1HG ARG 14 15.001 3.060 2.347
103 HD2 ARG 14 2HD ARG 14 15.766 0.808 4.131
104 HD3 ARG 14 1HD ARG 14 16.805 1.058 2.714
105 HE ARG 14 HE ARG 14 17.156 3.381 3.455
106 HH11 ARG 14 1HH2 ARG 14 17.285 1.164 5.819
107 HH12 ARG 14 2HH2 ARG 14 16.791 2.185 7.128
108 HH21 ARG 14 2HH1 ARG 14 15.733 4.771 5.059
109 HH22 ARG 14 1HH1 ARG 14 15.908 4.233 6.696
110 H CYS 15 H CYS 15 10.316 1.458 1.088
111 HA CYS 15 HA CYS 15 11.165 -1.364 0.555
112 HB2 CYS 15 2HB CYS 15 8.419 -0.102 0.807
113 HB3 CYS 15 1HB CYS 15 8.717 -1.801 0.456
114 H GLY 16 H GLY 16 11.027 -2.083 -1.587
115 HA2 GLY 16 2HA GLY 16 10.616 0.044 -3.621
116 HA3 GLY 16 1HA GLY 16 11.541 -1.431 -3.873
117 H TYR 17 H TYR 17 8.702 -2.255 -2.241
118 HA TYR 17 HA TYR 17 7.147 -2.588 -4.772
119 HB2 TYR 17 2HB TYR 17 8.747 -4.540 -3.751
120 HB3 TYR 17 1HB TYR 17 7.240 -4.890 -2.908
121 HD1 TYR 17 HD1 TYR 17 8.780 -4.445 -6.260
122 HD2 TYR 17 HD2 TYR 17 5.361 -5.817 -4.052
123 HE1 TYR 17 HE1 TYR 17 7.883 -5.508 -8.311
124 HE2 TYR 17 HE2 TYR 17 4.461 -6.878 -6.105
125 HH TYR 17 HH TYR 17 6.000 -7.731 -8.553
126 H TYR 18 H TYR 18 4.907 -2.476 -4.434
127 HA TYR 18 HA TYR 18 3.808 -2.771 -1.714
128 HB2 TYR 18 2HB TYR 18 3.308 -0.532 -1.354
129 HB3 TYR 18 1HB TYR 18 4.785 -0.349 -2.294
130 HD1 TYR 18 HD1 TYR 18 4.694 0.300 -4.678
131 HD2 TYR 18 HD2 TYR 18 1.129 0.018 -2.292
132 HE1 TYR 18 HE1 TYR 18 3.433 1.560 -6.404
133 HE2 TYR 18 HE2 TYR 18 -0.126 1.279 -4.018
134 HH TYR 18 HH TYR 18 0.505 2.983 -5.881
135 H VAL 19 H VAL 19 1.517 -3.023 -1.731
136 HA VAL 19 HA VAL 19 0.262 -3.251 -4.447
137 HB VAL 19 HB VAL 19 -0.218 -4.978 -1.991
138 HG11 VAL 19 1HG1 VAL 19 -2.119 -4.913 -3.520
139 HG12 VAL 19 2HG1 VAL 19 -1.311 -6.473 -3.667
140 HG13 VAL 19 3HG1 VAL 19 -1.059 -5.232 -4.893
141 HG21 VAL 19 3HG2 VAL 19 2.002 -5.493 -2.684
142 HG22 VAL 19 1HG2 VAL 19 1.585 -5.349 -4.391
143 HG23 VAL 19 2HG2 VAL 19 0.994 -6.720 -3.451
144 H SER 20 H SER 20 -1.881 -2.454 -4.577
145 HA SER 20 HA SER 20 -3.238 -1.571 -2.096
146 HB2 SER 20 2HB SER 20 -3.369 0.762 -2.954
147 HB3 SER 20 1HB SER 20 -1.704 0.254 -2.695
148 HG SER 20 HG SER 20 -3.097 0.174 -5.177
149 H VAL 21 H VAL 21 -5.426 -1.754 -2.304
150 HA VAL 21 HA VAL 21 -6.702 -1.662 -4.989
151 HB VAL 21 HB VAL 21 -6.236 -4.059 -3.266
152 HG11 VAL 21 1HG1 VAL 21 -8.869 -3.492 -4.644
153 HG12 VAL 21 2HG1 VAL 21 -8.602 -4.003 -2.977
154 HG13 VAL 21 3HG1 VAL 21 -8.314 -5.132 -4.302
155 HG21 VAL 21 3HG2 VAL 21 -6.442 -5.130 -5.573
156 HG22 VAL 21 1HG2 VAL 21 -5.123 -3.975 -5.382
157 HG23 VAL 21 2HG2 VAL 21 -6.601 -3.496 -6.218
158 H LEU 22 H LEU 22 -8.665 -0.621 -4.793
159 HA LEU 22 HA LEU 22 -9.822 -0.325 -2.044
160 HB2 LEU 22 2HB LEU 22 -8.989 1.599 -3.740
161 HB3 LEU 22 1HB LEU 22 -10.634 1.402 -4.343
162 HG LEU 22 HG LEU 22 -10.039 1.752 -1.399
163 HD11 LEU 22 1HD1 LEU 22 -10.715 4.155 -1.784
164 HD12 LEU 22 2HD1 LEU 22 -10.559 3.859 -3.515
165 HD13 LEU 22 3HD1 LEU 22 -9.147 3.728 -2.467
166 HD21 LEU 22 3HD2 LEU 22 -12.422 2.557 -1.436
167 HD22 LEU 22 1HD2 LEU 22 -12.245 0.868 -1.912
168 HD23 LEU 22 2HD2 LEU 22 -12.500 2.109 -3.139
169 H TYR 23 H TYR 23 -11.451 -1.811 -1.797
170 HA TYR 23 HA TYR 23 -13.584 -1.940 -3.869
171 HB2 TYR 23 2HB TYR 23 -11.794 -3.662 -4.319
172 HB3 TYR 23 1HB TYR 23 -12.157 -4.360 -2.740
173 HD1 TYR 23 HD1 TYR 23 -13.862 -3.330 -5.920
174 HD2 TYR 23 HD2 TYR 23 -13.796 -6.011 -2.565
175 HE1 TYR 23 HE1 TYR 23 -15.741 -4.611 -6.906
176 HE2 TYR 23 HE2 TYR 23 -15.676 -7.292 -3.551
177 HH TYR 23 HH TYR 23 -17.673 -6.531 -5.352
178 H ARG 24 H ARG 24 -15.584 -2.812 -3.018
179 HA ARG 24 HA ARG 24 -17.241 -3.028 -1.363
180 HB2 ARG 24 2HB ARG 24 -15.502 -5.015 -1.160
181 HB3 ARG 24 1HB ARG 24 -15.137 -4.249 0.385
182 HG2 ARG 24 2HG ARG 24 -17.860 -4.231 0.459
183 HG3 ARG 24 1HG ARG 24 -17.573 -5.700 -0.474
184 HD2 ARG 24 2HD ARG 24 -15.795 -6.211 1.414
185 HD3 ARG 24 1HD ARG 24 -16.782 -5.077 2.359
186 HE ARG 24 HE ARG 24 -18.749 -6.526 1.874
187 HH11 ARG 24 1HH2 ARG 24 -17.097 -7.928 -0.396
188 HH12 ARG 24 2HH2 ARG 24 -16.912 -9.500 0.306
189 HH21 ARG 24 2HH1 ARG 24 -17.878 -8.479 3.487
190 HH22 ARG 24 1HH1 ARG 24 -17.360 -9.814 2.513
191 H GLY 25 H GLY 25 -15.528 -0.566 -1.280
192 HA2 GLY 25 2HA GLY 25 -15.338 1.317 0.111
193 HA3 GLY 25 1HA GLY 25 -16.481 0.529 1.200
194 H ARG 26 H ARG 26 -13.444 -0.956 0.223
195 HA ARG 26 HA ARG 26 -12.269 -0.379 2.902
196 HB2 ARG 26 2HB ARG 26 -13.578 -2.577 2.732
197 HB3 ARG 26 1HB ARG 26 -12.339 -3.111 1.598
198 HG2 ARG 26 2HG ARG 26 -11.773 -3.889 3.847
199 HG3 ARG 26 1HG ARG 26 -10.604 -2.673 3.331
200 HD2 ARG 26 2HD ARG 26 -11.869 -0.940 4.599
201 HD3 ARG 26 1HD ARG 26 -12.984 -2.199 5.165
202 HE ARG 26 HE ARG 26 -11.143 -3.228 6.381
203 HH11 ARG 26 1HH2 ARG 26 -8.855 -2.455 4.637
204 HH12 ARG 26 2HH2 ARG 26 -8.072 -1.222 5.566
205 HH21 ARG 26 2HH1 ARG 26 -10.804 -0.694 7.651
206 HH22 ARG 26 1HH1 ARG 26 -9.178 -0.223 7.284
207 H CYS 27 H CYS 27 -9.978 -0.352 2.883
208 HA CYS 27 HA CYS 27 -8.762 -0.340 0.160
209 HB2 CYS 27 2HB CYS 27 -8.808 1.641 1.890
210 HB3 CYS 27 1HB CYS 27 -7.487 0.757 2.653
211 H TYR 28 H TYR 28 -7.483 -2.016 -0.346
212 HA TYR 28 HA TYR 28 -6.328 -3.731 1.812
213 HB2 TYR 28 2HB TYR 28 -6.818 -4.229 -1.150
214 HB3 TYR 28 1HB TYR 28 -6.281 -5.433 0.018
215 HD1 TYR 28 HD1 TYR 28 -9.128 -3.379 -1.120
216 HD2 TYR 28 HD2 TYR 28 -7.806 -6.341 1.694
217 HE1 TYR 28 HE1 TYR 28 -11.483 -3.849 -0.511
218 HE2 TYR 28 HE2 TYR 28 -10.164 -6.813 2.301
219 HH TYR 28 HH TYR 28 -12.466 -5.203 2.115
220 H CYS 29 H CYS 29 -4.303 -2.790 2.227
221 HA CYS 29 HA CYS 29 -2.572 -2.192 -0.144
222 HB2 CYS 29 2HB CYS 29 -2.907 -0.980 2.589
223 HB3 CYS 29 1HB CYS 29 -1.429 -0.712 1.665
224 H LYS 30 H LYS 30 -0.309 -2.666 0.054
225 HA LYS 30 HA LYS 30 0.595 -4.421 2.261
226 HB2 LYS 30 2HB LYS 30 -0.580 -5.642 0.239
227 HB3 LYS 30 1HB LYS 30 0.948 -5.325 -0.586
228 HG2 LYS 30 2HG LYS 30 2.171 -6.676 0.865
229 HG3 LYS 30 1HG LYS 30 0.990 -6.515 2.164
230 HD2 LYS 30 2HD LYS 30 0.241 -7.895 -0.407
231 HD3 LYS 30 1HD LYS 30 1.104 -8.773 0.856
232 HE2 LYS 30 2HE LYS 30 -1.310 -7.173 1.652
233 HE3 LYS 30 1HE LYS 30 -1.555 -8.734 0.844
234 HZ1 LYS 30 3HZ LYS 30 0.350 -8.405 3.094
235 HZ2 LYS 30 1HZ LYS 30 -0.280 -9.846 2.454
236 HZ3 LYS 30 2HZ LYS 30 -1.281 -8.804 3.348
237 H CYS 31 H CYS 31 2.900 -4.522 2.373
238 HA CYS 31 HA CYS 31 4.425 -2.759 0.482
239 HB2 CYS 31 2HB CYS 31 3.791 -1.680 2.680
240 HB3 CYS 31 1HB CYS 31 4.701 -2.943 3.492
241 H LEU 32 H LEU 32 6.219 -3.835 -0.308
242 HA LEU 32 HA LEU 32 7.412 -6.039 1.311
243 HB2 LEU 32 2HB LEU 32 6.259 -6.139 -1.481
244 HB3 LEU 32 1HB LEU 32 7.436 -7.331 -0.932
245 HG LEU 32 HG LEU 32 4.872 -6.720 0.563
246 HD11 LEU 32 1HD1 LEU 32 4.085 -7.634 -1.460
247 HD12 LEU 32 2HD1 LEU 32 4.244 -9.044 -0.413
248 HD13 LEU 32 3HD1 LEU 32 5.479 -8.702 -1.625
249 HD21 LEU 32 3HD2 LEU 32 5.400 -9.014 1.523
250 HD22 LEU 32 1HD2 LEU 32 6.532 -7.741 1.978
251 HD23 LEU 32 2HD2 LEU 32 6.968 -8.904 0.725
252 H ARG 33 H ARG 33 9.420 -6.904 -0.098
253 HA ARG 33 HA ARG 33 11.605 -6.416 -0.827
254 HB2 ARG 33 2HB ARG 33 10.042 -4.299 -2.350
255 HB3 ARG 33 1HB ARG 33 11.660 -4.862 -2.757
256 HG2 ARG 33 2HG ARG 33 9.249 -6.690 -2.602
257 HG3 ARG 33 1HG ARG 33 9.806 -5.943 -4.097
258 HD2 ARG 33 2HD ARG 33 12.004 -7.043 -3.848
259 HD3 ARG 33 1HD ARG 33 11.453 -7.800 -2.339
260 HE ARG 33 HE ARG 33 10.437 -8.440 -5.061
261 HH11 ARG 33 1HH2 ARG 33 11.554 -10.327 -2.867
262 HH12 ARG 33 2HH2 ARG 33 10.099 -11.125 -2.374
263 HH21 ARG 33 2HH1 ARG 33 8.001 -8.813 -3.899
264 HH22 ARG 33 1HH1 ARG 33 8.081 -10.267 -2.962
265 H CYS 34 HN CYS 34 11.288 -5.446 1.662
266 HA CYS 34 HA CYS 34 12.073 -2.574 1.651
267 HB2 CYS 34 2HB CYS 34 11.276 -4.450 3.900
268 HB3 CYS 34 1HB CYS 34 11.480 -2.705 4.037
Start of MODEL 19
1 H1 SER 1 1H SER 1 -7.552 9.773 -2.846
2 H2 SER 1 2H SER 1 -6.526 9.639 -1.498
3 H3 SER 1 3H SER 1 -7.899 8.645 -1.626
4 HA SER 1 HA SER 1 -6.944 7.533 -3.565
5 HB2 SER 1 2HB SER 1 -4.600 9.364 -2.953
6 HB3 SER 1 1HB SER 1 -4.695 8.200 -4.271
7 HG SER 1 HG SER 1 -5.227 10.310 -4.968
8 H CYS 2 H CYS 2 -7.153 5.815 -2.040
9 HA CYS 2 HA CYS 2 -5.598 5.496 0.342
10 HB2 CYS 2 2HB CYS 2 -7.706 4.239 -0.886
11 HB3 CYS 2 1HB CYS 2 -6.417 3.058 -1.121
12 H ALA 3 H ALA 3 -5.111 4.158 -2.950
13 HA ALA 3 HA ALA 3 -2.742 2.670 -2.431
14 HB1 ALA 3 3HB ALA 3 -2.503 2.748 -4.858
15 HB2 ALA 3 1HB ALA 3 -3.540 4.172 -4.947
16 HB3 ALA 3 2HB ALA 3 -4.217 2.615 -4.466
17 H SER 4 H SER 4 -3.183 6.127 -3.181
18 HA SER 4 HA SER 4 -0.395 6.732 -3.590
19 HB2 SER 4 2HB SER 4 -2.699 8.020 -4.020
20 HB3 SER 4 1HB SER 4 -2.311 8.730 -2.455
21 HG SER 4 HG SER 4 -1.059 8.995 -4.918
22 H ARG 5 H ARG 5 -2.504 6.843 -0.713
23 HA ARG 5 HA ARG 5 -0.511 7.941 1.078
24 HB2 ARG 5 2HB ARG 5 -2.998 7.950 1.410
25 HB3 ARG 5 1HB ARG 5 -2.943 6.204 1.641
26 HG2 ARG 5 2HG ARG 5 -0.988 7.546 3.327
27 HG3 ARG 5 1HG ARG 5 -2.613 8.160 3.626
28 HD2 ARG 5 2HD ARG 5 -2.170 5.183 3.431
29 HD3 ARG 5 1HD ARG 5 -1.816 6.036 4.948
30 HE ARG 5 HE ARG 5 -4.372 6.883 3.937
31 HH11 ARG 5 2HH1 ARG 5 -4.656 3.925 3.632
32 HH12 ARG 5 1HH1 ARG 5 -5.235 3.445 5.192
33 HH21 ARG 5 1HH2 ARG 5 -4.302 6.416 6.741
34 HH22 ARG 5 2HH2 ARG 5 -5.031 4.860 6.960
35 H CYS 6 H CYS 6 -1.559 4.647 0.260
36 HA CYS 6 HA CYS 6 0.101 3.275 2.173
37 HB2 CYS 6 2HB CYS 6 -1.171 2.501 -0.466
38 HB3 CYS 6 1HB CYS 6 -0.402 1.341 0.617
39 H LYS 7 H LYS 7 0.655 4.411 -1.151
40 HA LYS 7 HA LYS 7 3.136 3.052 -1.636
41 HB2 LYS 7 2HB LYS 7 1.641 4.262 -3.281
42 HB3 LYS 7 1HB LYS 7 2.222 5.781 -2.606
43 HG2 LYS 7 2HG LYS 7 4.102 5.673 -3.841
44 HG3 LYS 7 1HG LYS 7 4.466 4.066 -3.214
45 HD2 LYS 7 2HD LYS 7 4.230 3.682 -5.519
46 HD3 LYS 7 1HD LYS 7 2.643 3.253 -4.884
47 HE2 LYS 7 2HE LYS 7 1.867 5.598 -5.410
48 HE3 LYS 7 1HE LYS 7 3.421 5.864 -6.225
49 HZ1 LYS 7 3HZ LYS 7 1.513 4.978 -7.640
50 HZ2 LYS 7 1HZ LYS 7 1.736 3.504 -6.830
51 HZ3 LYS 7 2HZ LYS 7 3.001 4.166 -7.752
52 H GLY 8 H GLY 8 2.363 6.234 -0.209
53 HA2 GLY 8 2HA GLY 8 5.068 7.086 0.205
54 HA3 GLY 8 1HA GLY 8 3.665 7.698 1.081
55 H HIS 9 H HIS 9 2.807 5.193 2.198
56 HA HIS 9 HA HIS 9 4.417 5.068 4.571
57 HB2 HIS 9 2HB HIS 9 1.917 4.256 3.742
58 HB3 HIS 9 1HB HIS 9 2.765 2.716 3.883
59 HD1 HIS 9 HD1 HIS 9 2.000 5.821 5.941
60 HD2 HIS 9 HD2 HIS 9 3.118 1.845 6.503
61 HE1 HIS 9 HE1 HIS 9 1.919 5.400 8.438
62 H CYS 10 H CYS 10 4.218 2.953 1.699
63 HA CYS 10 HA CYS 10 6.159 1.016 2.638
64 HB2 CYS 10 2HB CYS 10 4.296 0.926 0.800
65 HB3 CYS 10 1HB CYS 10 5.516 1.646 -0.244
66 H ARG 11 H ARG 11 6.340 3.906 0.533
67 HA ARG 11 HA ARG 11 9.128 3.634 -0.141
68 HB2 ARG 11 2HB ARG 11 6.939 5.360 -0.662
69 HB3 ARG 11 1HB ARG 11 8.213 6.376 0.005
70 HG2 ARG 11 2HG ARG 11 9.387 4.514 -1.843
71 HG3 ARG 11 1HG ARG 11 8.031 5.322 -2.630
72 HD2 ARG 11 2HD ARG 11 9.732 7.143 -1.045
73 HD3 ARG 11 1HD ARG 11 10.555 6.399 -2.429
74 HE ARG 11 HE ARG 11 8.936 7.408 -3.902
75 HH11 ARG 11 1HH2 ARG 11 9.414 9.810 -2.231
76 HH12 ARG 11 2HH2 ARG 11 7.814 10.279 -1.765
77 HH21 ARG 11 2HH1 ARG 11 6.391 7.218 -2.592
78 HH22 ARG 11 1HH1 ARG 11 6.095 8.807 -1.972
79 H ALA 12 H ALA 12 7.395 5.255 2.523
80 HA ALA 12 HA ALA 12 9.684 6.538 3.714
81 HB1 ALA 12 3HB ALA 12 8.134 6.632 5.691
82 HB2 ALA 12 1HB ALA 12 7.029 5.567 4.823
83 HB3 ALA 12 2HB ALA 12 7.376 7.178 4.196
84 H ARG 13 H ARG 13 8.363 3.274 3.886
85 HA ARG 13 HA ARG 13 10.065 2.486 6.157
86 HB2 ARG 13 2HB ARG 13 7.996 1.220 4.369
87 HB3 ARG 13 1HB ARG 13 8.985 0.211 5.423
88 HG2 ARG 13 2HG ARG 13 7.646 2.634 6.579
89 HG3 ARG 13 1HG ARG 13 6.684 1.184 6.291
90 HD2 ARG 13 2HD ARG 13 8.930 0.131 7.500
91 HD3 ARG 13 1HD ARG 13 8.736 1.678 8.348
92 HE ARG 13 HE ARG 13 6.580 0.957 9.117
93 HH11 ARG 13 2HH1 ARG 13 8.051 -1.667 9.410
94 HH12 ARG 13 1HH1 ARG 13 6.960 -2.770 8.642
95 HH21 ARG 13 1HH2 ARG 13 5.157 -0.271 7.032
96 HH22 ARG 13 2HH2 ARG 13 5.316 -1.976 7.286
97 H ARG 14 H ARG 14 10.882 3.186 3.089
98 HA ARG 14 HA ARG 14 12.710 2.605 1.730
99 HB2 ARG 14 2HB ARG 14 13.685 2.368 4.101
100 HB3 ARG 14 1HB ARG 14 13.418 0.634 3.918
101 HG2 ARG 14 2HG ARG 14 14.868 0.549 1.979
102 HG3 ARG 14 1HG ARG 14 15.018 2.306 1.960
103 HD2 ARG 14 2HD ARG 14 16.921 1.934 3.181
104 HD3 ARG 14 1HD ARG 14 15.802 1.701 4.539
105 HE ARG 14 HE ARG 14 15.838 -0.776 3.266
106 HH11 ARG 14 2HH1 ARG 14 18.620 -0.259 2.432
107 HH12 ARG 14 1HH1 ARG 14 19.546 -0.780 3.800
108 HH21 ARG 14 1HH2 ARG 14 16.836 -0.743 5.978
109 HH22 ARG 14 2HH2 ARG 14 18.532 -1.055 5.816
110 H CYS 15 H CYS 15 10.391 1.460 0.934
111 HA CYS 15 HA CYS 15 11.130 -1.381 0.335
112 HB2 CYS 15 2HB CYS 15 8.405 -0.115 0.729
113 HB3 CYS 15 1HB CYS 15 8.696 -1.811 0.368
114 H GLY 16 H GLY 16 10.942 -2.005 -1.820
115 HA2 GLY 16 2HA GLY 16 10.352 0.179 -3.756
116 HA3 GLY 16 1HA GLY 16 11.349 -1.231 -4.102
117 H TYR 17 H TYR 17 8.586 -2.163 -2.358
118 HA TYR 17 HA TYR 17 6.974 -2.599 -4.836
119 HB2 TYR 17 2HB TYR 17 8.693 -4.460 -3.936
120 HB3 TYR 17 1HB TYR 17 7.316 -4.844 -2.909
121 HD1 TYR 17 HD1 TYR 17 8.453 -4.506 -6.421
122 HD2 TYR 17 HD2 TYR 17 5.336 -5.866 -3.797
123 HE1 TYR 17 HE1 TYR 17 7.386 -5.704 -8.312
124 HE2 TYR 17 HE2 TYR 17 4.268 -7.063 -5.687
125 HH TYR 17 HH TYR 17 4.430 -6.597 -8.484
126 H TYR 18 H TYR 18 4.726 -2.706 -4.409
127 HA TYR 18 HA TYR 18 3.743 -2.937 -1.645
128 HB2 TYR 18 2HB TYR 18 3.015 -0.707 -1.404
129 HB3 TYR 18 1HB TYR 18 4.586 -0.519 -2.179
130 HD1 TYR 18 HD1 TYR 18 4.579 -0.449 -4.805
131 HD2 TYR 18 HD2 TYR 18 1.123 0.287 -2.359
132 HE1 TYR 18 HE1 TYR 18 3.497 0.743 -6.690
133 HE2 TYR 18 HE2 TYR 18 0.042 1.482 -4.243
134 HH TYR 18 HH TYR 18 0.561 1.224 -7.122
135 H VAL 19 H VAL 19 1.479 -3.374 -1.584
136 HA VAL 19 HA VAL 19 0.164 -3.729 -4.263
137 HB VAL 19 HB VAL 19 -0.130 -5.396 -1.738
138 HG11 VAL 19 1HG1 VAL 19 -1.165 -5.697 -4.568
139 HG12 VAL 19 2HG1 VAL 19 -2.114 -5.547 -3.089
140 HG13 VAL 19 3HG1 VAL 19 -1.176 -7.010 -3.390
141 HG21 VAL 19 3HG2 VAL 19 1.109 -7.121 -3.158
142 HG22 VAL 19 1HG2 VAL 19 2.087 -5.776 -2.570
143 HG23 VAL 19 2HG2 VAL 19 1.527 -5.794 -4.242
144 H SER 20 H SER 20 -1.391 -2.120 -4.371
145 HA SER 20 HA SER 20 -3.056 -1.626 -1.921
146 HB2 SER 20 2HB SER 20 -3.251 0.689 -2.793
147 HB3 SER 20 1HB SER 20 -1.568 0.239 -2.547
148 HG SER 20 HG SER 20 -3.026 0.250 -4.988
149 H VAL 21 H VAL 21 -5.214 -2.022 -2.160
150 HA VAL 21 HA VAL 21 -6.474 -1.907 -4.859
151 HB VAL 21 HB VAL 21 -6.001 -4.322 -3.134
152 HG11 VAL 21 1HG1 VAL 21 -7.906 -5.450 -4.408
153 HG12 VAL 21 2HG1 VAL 21 -8.479 -3.829 -4.799
154 HG13 VAL 21 3HG1 VAL 21 -8.390 -4.350 -3.117
155 HG21 VAL 21 3HG2 VAL 21 -6.142 -3.796 -6.119
156 HG22 VAL 21 1HG2 VAL 21 -5.804 -5.370 -5.402
157 HG23 VAL 21 2HG2 VAL 21 -4.681 -4.033 -5.160
158 H LEU 22 H LEU 22 -8.518 -1.019 -4.678
159 HA LEU 22 HA LEU 22 -9.695 -0.772 -1.933
160 HB2 LEU 22 2HB LEU 22 -9.032 1.137 -3.760
161 HB3 LEU 22 1HB LEU 22 -10.704 0.829 -4.225
162 HG LEU 22 HG LEU 22 -9.987 1.240 -1.330
163 HD11 LEU 22 1HD1 LEU 22 -10.695 3.676 -1.780
164 HD12 LEU 22 2HD1 LEU 22 -10.353 3.334 -3.476
165 HD13 LEU 22 3HD1 LEU 22 -9.067 3.214 -2.276
166 HD21 LEU 22 3HD2 LEU 22 -12.221 0.451 -1.725
167 HD22 LEU 22 1HD2 LEU 22 -12.459 1.593 -3.047
168 HD23 LEU 22 2HD2 LEU 22 -12.357 2.175 -1.385
169 H TYR 23 H TYR 23 -11.375 -2.177 -1.580
170 HA TYR 23 HA TYR 23 -13.094 -2.945 -3.922
171 HB2 TYR 23 2HB TYR 23 -11.638 -4.767 -3.323
172 HB3 TYR 23 1HB TYR 23 -11.987 -4.548 -1.611
173 HD1 TYR 23 HD2 TYR 23 -14.429 -4.487 -4.436
174 HD2 TYR 23 HD1 TYR 23 -12.947 -6.635 -1.024
175 HE1 TYR 23 HE2 TYR 23 -16.327 -6.068 -4.607
176 HE2 TYR 23 HE1 TYR 23 -14.847 -8.220 -1.199
177 HH TYR 23 HH TYR 23 -16.505 -8.837 -3.608
178 H ARG 24 H ARG 24 -15.168 -2.316 -3.634
179 HA ARG 24 HA ARG 24 -17.181 -1.661 -2.622
180 HB2 ARG 24 2HB ARG 24 -16.418 -4.169 -1.857
181 HB3 ARG 24 1HB ARG 24 -16.649 -3.398 -0.293
182 HG2 ARG 24 2HG ARG 24 -18.768 -2.827 -2.273
183 HG3 ARG 24 1HG ARG 24 -18.669 -4.514 -1.766
184 HD2 ARG 24 2HD ARG 24 -18.519 -2.444 0.390
185 HD3 ARG 24 1HD ARG 24 -20.099 -2.726 -0.366
186 HE ARG 24 HE ARG 24 -19.479 -5.256 0.073
187 HH11 ARG 24 1HH2 ARG 24 -20.927 -3.865 2.288
188 HH12 ARG 24 2HH2 ARG 24 -19.901 -4.170 3.650
189 HH21 ARG 24 2HH1 ARG 24 -17.165 -5.090 1.715
190 HH22 ARG 24 1HH1 ARG 24 -17.763 -4.867 3.324
191 H GLY 25 H GLY 25 -14.723 -0.116 -1.842
192 HA2 GLY 25 2HA GLY 25 -14.613 1.847 -0.480
193 HA3 GLY 25 1HA GLY 25 -15.894 1.188 0.530
194 H ARG 26 H ARG 26 -13.576 -1.208 0.012
195 HA ARG 26 HA ARG 26 -12.383 -0.686 2.693
196 HB2 ARG 26 2HB ARG 26 -13.656 -2.871 1.648
197 HB3 ARG 26 1HB ARG 26 -11.974 -3.269 1.299
198 HG2 ARG 26 2HG ARG 26 -12.018 -2.239 3.939
199 HG3 ARG 26 1HG ARG 26 -13.364 -3.374 3.823
200 HD2 ARG 26 2HD ARG 26 -11.916 -5.164 3.125
201 HD3 ARG 26 1HD ARG 26 -10.556 -4.048 2.888
202 HE ARG 26 HE ARG 26 -10.436 -3.743 5.307
203 HH11 ARG 26 2HH1 ARG 26 -10.467 -6.762 4.956
204 HH12 ARG 26 1HH1 ARG 26 -11.632 -7.234 6.147
205 HH21 ARG 26 1HH2 ARG 26 -12.930 -4.031 6.523
206 HH22 ARG 26 2HH2 ARG 26 -13.030 -5.680 7.042
207 H CYS 27 H CYS 27 -10.084 -0.731 2.912
208 HA CYS 27 HA CYS 27 -8.625 -0.400 0.326
209 HB2 CYS 27 2HB CYS 27 -8.849 1.454 2.095
210 HB3 CYS 27 1HB CYS 27 -7.750 0.489 3.081
211 H TYR 28 H TYR 28 -7.298 -2.026 -0.222
212 HA TYR 28 HA TYR 28 -6.214 -3.868 1.875
213 HB2 TYR 28 2HB TYR 28 -6.807 -4.099 -1.089
214 HB3 TYR 28 1HB TYR 28 -5.869 -5.315 -0.228
215 HD1 TYR 28 HD1 TYR 28 -9.199 -3.731 -0.551
216 HD2 TYR 28 HD2 TYR 28 -6.903 -6.816 1.362
217 HE1 TYR 28 HE1 TYR 28 -11.292 -4.806 0.231
218 HE2 TYR 28 HE2 TYR 28 -8.997 -7.888 2.147
219 HH TYR 28 HH TYR 28 -11.532 -7.860 1.225
220 H CYS 29 H CYS 29 -4.334 -2.610 2.415
221 HA CYS 29 HA CYS 29 -2.492 -1.947 0.156
222 HB2 CYS 29 2HB CYS 29 -2.994 -0.862 2.916
223 HB3 CYS 29 1HB CYS 29 -1.473 -0.520 2.090
224 H LYS 30 H LYS 30 -0.290 -2.501 0.296
225 HA LYS 30 HA LYS 30 0.673 -4.181 2.532
226 HB2 LYS 30 2HB LYS 30 -0.475 -5.226 0.140
227 HB3 LYS 30 1HB LYS 30 1.261 -5.527 0.056
228 HG2 LYS 30 2HG LYS 30 1.176 -6.528 2.329
229 HG3 LYS 30 1HG LYS 30 -0.572 -6.283 2.351
230 HD2 LYS 30 2HD LYS 30 -0.699 -7.664 0.234
231 HD3 LYS 30 1HD LYS 30 1.007 -8.049 0.462
232 HE2 LYS 30 2HE LYS 30 0.260 -9.795 1.726
233 HE3 LYS 30 1HE LYS 30 -0.091 -8.576 2.965
234 HZ1 LYS 30 3HZ LYS 30 -1.928 -9.487 0.809
235 HZ2 LYS 30 1HZ LYS 30 -2.258 -8.206 1.873
236 HZ3 LYS 30 2HZ LYS 30 -2.096 -9.789 2.472
237 H CYS 31 H CYS 31 2.984 -4.384 2.501
238 HA CYS 31 HA CYS 31 4.435 -2.709 0.476
239 HB2 CYS 31 2HB CYS 31 3.953 -1.536 2.650
240 HB3 CYS 31 1HB CYS 31 4.850 -2.804 3.474
241 H LEU 32 H LEU 32 6.154 -3.842 -0.385
242 HA LEU 32 HA LEU 32 7.369 -6.052 1.221
243 HB2 LEU 32 2HB LEU 32 6.417 -6.160 -1.661
244 HB3 LEU 32 1HB LEU 32 7.265 -7.460 -0.829
245 HG LEU 32 HG LEU 32 5.157 -6.804 0.888
246 HD11 LEU 32 1HD1 LEU 32 4.083 -5.495 -0.876
247 HD12 LEU 32 2HD1 LEU 32 3.172 -6.982 -0.611
248 HD13 LEU 32 3HD1 LEU 32 4.243 -6.841 -2.005
249 HD21 LEU 32 3HD2 LEU 32 6.041 -9.059 0.403
250 HD22 LEU 32 1HD2 LEU 32 5.337 -8.988 -1.213
251 HD23 LEU 32 2HD2 LEU 32 4.289 -9.017 0.205
252 H ARG 33 H ARG 33 9.366 -6.920 -0.134
253 HA ARG 33 HA ARG 33 11.553 -6.465 -0.879
254 HB2 ARG 33 2HB ARG 33 10.094 -4.342 -2.487
255 HB3 ARG 33 1HB ARG 33 11.619 -5.117 -2.907
256 HG2 ARG 33 2HG ARG 33 8.960 -6.556 -2.633
257 HG3 ARG 33 1HG ARG 33 9.700 -6.084 -4.161
258 HD2 ARG 33 2HD ARG 33 11.615 -7.540 -3.747
259 HD3 ARG 33 1HD ARG 33 10.999 -7.939 -2.130
260 HE ARG 33 HE ARG 33 8.860 -8.614 -3.656
261 HH11 ARG 33 1HH2 ARG 33 10.576 -8.789 -6.085
262 HH12 ARG 33 2HH2 ARG 33 11.094 -10.441 -6.061
263 HH21 ARG 33 2HH1 ARG 33 10.237 -10.935 -2.728
264 HH22 ARG 33 1HH1 ARG 33 10.901 -11.661 -4.152
265 H CYS 34 HN CYS 34 11.462 -5.470 1.527
266 HA CYS 34 HA CYS 34 12.133 -2.566 1.418
267 HB2 CYS 34 2HB CYS 34 11.451 -4.392 3.745
268 HB3 CYS 34 1HB CYS 34 11.629 -2.640 3.826
Start of MODEL 20
1 H1 SER 1 1H SER 1 -7.842 9.676 -3.113
2 H2 SER 1 2H SER 1 -7.080 9.431 -1.613
3 H3 SER 1 3H SER 1 -8.297 8.366 -2.134
4 HA SER 1 HA SER 1 -6.916 7.511 -3.884
5 HB2 SER 1 2HB SER 1 -4.962 9.629 -2.925
6 HB3 SER 1 1HB SER 1 -4.733 8.543 -4.292
7 HG SER 1 HG SER 1 -5.503 10.506 -5.051
8 H CYS 2 H CYS 2 -7.141 5.764 -2.336
9 HA CYS 2 HA CYS 2 -5.541 5.599 0.078
10 HB2 CYS 2 2HB CYS 2 -7.757 4.374 -0.855
11 HB3 CYS 2 1HB CYS 2 -6.559 3.160 -1.305
12 H ALA 3 H ALA 3 -5.189 4.314 -3.226
13 HA ALA 3 HA ALA 3 -2.937 2.631 -2.806
14 HB1 ALA 3 3HB ALA 3 -4.362 2.688 -4.823
15 HB2 ALA 3 1HB ALA 3 -2.665 2.905 -5.255
16 HB3 ALA 3 2HB ALA 3 -3.749 4.296 -5.212
17 H SER 4 H SER 4 -3.068 6.125 -3.614
18 HA SER 4 HA SER 4 -0.207 6.442 -3.848
19 HB2 SER 4 2HB SER 4 -0.819 8.869 -3.652
20 HB3 SER 4 1HB SER 4 -1.797 8.004 -4.834
21 HG SER 4 HG SER 4 -2.475 9.036 -2.331
22 H ARG 5 H ARG 5 -2.480 6.732 -1.128
23 HA ARG 5 HA ARG 5 -0.610 7.851 0.766
24 HB2 ARG 5 2HB ARG 5 -3.123 7.807 0.939
25 HB3 ARG 5 1HB ARG 5 -3.034 6.070 1.223
26 HG2 ARG 5 2HG ARG 5 -1.300 7.748 2.951
27 HG3 ARG 5 1HG ARG 5 -3.035 7.911 3.220
28 HD2 ARG 5 2HD ARG 5 -2.277 5.107 2.901
29 HD3 ARG 5 1HD ARG 5 -1.409 5.874 4.245
30 HE ARG 5 HE ARG 5 -4.058 6.771 4.471
31 HH11 ARG 5 2HH1 ARG 5 -4.877 4.112 3.450
32 HH12 ARG 5 1HH1 ARG 5 -4.919 3.145 4.887
33 HH21 ARG 5 1HH2 ARG 5 -3.023 5.379 6.760
34 HH22 ARG 5 2HH2 ARG 5 -3.865 3.866 6.769
35 H CYS 6 H CYS 6 -1.597 4.521 -0.026
36 HA CYS 6 HA CYS 6 0.069 3.230 1.952
37 HB2 CYS 6 2HB CYS 6 -1.245 2.377 -0.637
38 HB3 CYS 6 1HB CYS 6 -0.410 1.244 0.428
39 H LYS 7 H LYS 7 0.595 4.328 -1.372
40 HA LYS 7 HA LYS 7 3.055 2.950 -1.898
41 HB2 LYS 7 2HB LYS 7 1.559 4.166 -3.525
42 HB3 LYS 7 1HB LYS 7 2.122 5.687 -2.835
43 HG2 LYS 7 2HG LYS 7 4.507 4.766 -3.346
44 HG3 LYS 7 1HG LYS 7 3.672 3.656 -4.431
45 HD2 LYS 7 2HD LYS 7 2.581 6.247 -4.879
46 HD3 LYS 7 1HD LYS 7 4.337 6.413 -4.870
47 HE2 LYS 7 2HE LYS 7 4.546 4.629 -6.548
48 HE3 LYS 7 1HE LYS 7 2.789 4.389 -6.530
49 HZ1 LYS 7 3HZ LYS 7 4.160 6.952 -7.172
50 HZ2 LYS 7 1HZ LYS 7 2.484 6.687 -7.183
51 HZ3 LYS 7 2HZ LYS 7 3.475 5.900 -8.316
52 H GLY 8 H GLY 8 2.345 6.158 -0.481
53 HA2 GLY 8 2HA GLY 8 5.088 6.919 -0.075
54 HA3 GLY 8 1HA GLY 8 3.702 7.619 0.762
55 H HIS 9 H HIS 9 2.728 5.165 1.922
56 HA HIS 9 HA HIS 9 4.224 5.063 4.354
57 HB2 HIS 9 2HB HIS 9 1.767 4.323 3.571
58 HB3 HIS 9 1HB HIS 9 2.551 2.748 3.458
59 HD1 HIS 9 HD1 HIS 9 4.442 2.840 5.850
60 HD2 HIS 9 HD2 HIS 9 0.501 4.188 6.036
61 HE1 HIS 9 HE1 HIS 9 3.774 2.768 8.291
62 H CYS 10 H CYS 10 4.218 2.899 1.503
63 HA CYS 10 HA CYS 10 6.074 0.965 2.588
64 HB2 CYS 10 2HB CYS 10 4.394 1.030 0.512
65 HB3 CYS 10 1HB CYS 10 5.836 1.560 -0.344
66 H ARG 11 H ARG 11 6.445 3.904 0.605
67 HA ARG 11 HA ARG 11 9.270 3.680 0.126
68 HB2 ARG 11 2HB ARG 11 7.127 5.401 -0.480
69 HB3 ARG 11 1HB ARG 11 8.261 6.401 0.422
70 HG2 ARG 11 2HG ARG 11 9.327 4.611 -1.731
71 HG3 ARG 11 1HG ARG 11 8.517 6.106 -2.199
72 HD2 ARG 11 2HD ARG 11 10.169 7.448 -1.297
73 HD3 ARG 11 1HD ARG 11 10.569 6.278 -0.023
74 HE ARG 11 HE ARG 11 11.213 5.017 -2.457
75 HH11 ARG 11 1HH2 ARG 11 13.113 5.727 -0.154
76 HH12 ARG 11 2HH2 ARG 11 14.291 6.688 -0.986
77 HH21 ARG 11 2HH1 ARG 11 12.292 7.177 -3.789
78 HH22 ARG 11 1HH1 ARG 11 13.822 7.513 -3.054
79 H ALA 12 H ALA 12 7.348 5.202 2.716
80 HA ALA 12 HA ALA 12 9.524 6.370 4.183
81 HB1 ALA 12 3HB ALA 12 6.869 5.295 5.189
82 HB2 ALA 12 1HB ALA 12 7.055 6.850 4.379
83 HB3 ALA 12 2HB ALA 12 7.840 6.565 5.933
84 H ARG 13 H ARG 13 8.161 3.114 4.074
85 HA ARG 13 HA ARG 13 9.666 2.182 6.426
86 HB2 ARG 13 2HB ARG 13 7.783 1.009 4.379
87 HB3 ARG 13 1HB ARG 13 8.646 -0.035 5.506
88 HG2 ARG 13 2HG ARG 13 7.460 2.250 6.870
89 HG3 ARG 13 1HG ARG 13 6.244 1.311 6.004
90 HD2 ARG 13 2HD ARG 13 8.007 -0.550 7.276
91 HD3 ARG 13 1HD ARG 13 7.518 0.655 8.483
92 HE ARG 13 HE ARG 13 5.154 0.177 7.873
93 HH11 ARG 13 1HH2 ARG 13 6.516 -2.404 8.832
94 HH12 ARG 13 2HH2 ARG 13 5.928 -3.537 7.663
95 HH21 ARG 13 2HH1 ARG 13 4.842 -1.084 5.446
96 HH22 ARG 13 1HH1 ARG 13 4.972 -2.785 5.736
97 H ARG 14 H ARG 14 10.726 3.037 3.462
98 HA ARG 14 HA ARG 14 12.650 2.516 2.219
99 HB2 ARG 14 2HB ARG 14 13.428 2.186 4.659
100 HB3 ARG 14 1HB ARG 14 13.220 0.460 4.364
101 HG2 ARG 14 2HG ARG 14 14.641 1.209 2.147
102 HG3 ARG 14 1HG ARG 14 15.302 2.300 3.365
103 HD2 ARG 14 2HD ARG 14 15.036 -0.696 3.796
104 HD3 ARG 14 1HD ARG 14 16.520 0.082 3.211
105 HE ARG 14 HE ARG 14 15.242 0.947 5.781
106 HH11 ARG 14 1HH2 ARG 14 17.162 -1.373 5.948
107 HH12 ARG 14 2HH2 ARG 14 18.659 -0.573 6.291
108 HH21 ARG 14 2HH1 ARG 14 17.500 2.563 5.328
109 HH22 ARG 14 1HH1 ARG 14 18.851 1.667 5.940
110 H CYS 15 H CYS 15 10.400 1.391 1.228
111 HA CYS 15 HA CYS 15 11.184 -1.422 0.566
112 HB2 CYS 15 2HB CYS 15 8.442 -0.164 0.848
113 HB3 CYS 15 1HB CYS 15 8.747 -1.842 0.419
114 H GLY 16 H GLY 16 11.094 -1.983 -1.613
115 HA2 GLY 16 2HA GLY 16 10.703 0.268 -3.512
116 HA3 GLY 16 1HA GLY 16 11.627 -1.193 -3.848
117 H TYR 17 H TYR 17 8.806 -2.141 -2.287
118 HA TYR 17 HA TYR 17 7.214 -2.271 -4.809
119 HB2 TYR 17 2HB TYR 17 8.872 -4.291 -4.039
120 HB3 TYR 17 1HB TYR 17 7.395 -4.752 -3.195
121 HD1 TYR 17 HD1 TYR 17 8.635 -3.656 -6.553
122 HD2 TYR 17 HD2 TYR 17 5.684 -5.865 -4.349
123 HE1 TYR 17 HE1 TYR 17 7.689 -4.511 -8.679
124 HE2 TYR 17 HE2 TYR 17 4.736 -6.719 -6.474
125 HH TYR 17 HH TYR 17 6.076 -6.966 -9.115
126 H TYR 18 H TYR 18 4.975 -2.287 -4.421
127 HA TYR 18 HA TYR 18 3.939 -2.852 -1.722
128 HB2 TYR 18 2HB TYR 18 3.384 -0.670 -1.147
129 HB3 TYR 18 1HB TYR 18 4.857 -0.373 -2.063
130 HD1 TYR 18 HD1 TYR 18 4.716 0.381 -4.449
131 HD2 TYR 18 HD2 TYR 18 1.234 0.062 -1.947
132 HE1 TYR 18 HE1 TYR 18 3.442 1.796 -6.036
133 HE2 TYR 18 HE2 TYR 18 -0.034 1.479 -3.533
134 HH TYR 18 HH TYR 18 0.188 1.994 -6.116
135 H VAL 19 H VAL 19 1.641 -3.137 -1.727
136 HA VAL 19 HA VAL 19 0.388 -3.231 -4.455
137 HB VAL 19 HB VAL 19 -0.106 -5.013 -2.042
138 HG11 VAL 19 1HG1 VAL 19 -1.172 -6.466 -3.828
139 HG12 VAL 19 2HG1 VAL 19 -1.033 -5.092 -4.923
140 HG13 VAL 19 3HG1 VAL 19 -2.034 -4.968 -3.477
141 HG21 VAL 19 3HG2 VAL 19 1.709 -5.296 -4.436
142 HG22 VAL 19 1HG2 VAL 19 1.056 -6.721 -3.628
143 HG23 VAL 19 2HG2 VAL 19 2.075 -5.591 -2.736
144 H SER 20 H SER 20 -1.811 -2.538 -4.564
145 HA SER 20 HA SER 20 -3.156 -1.639 -2.086
146 HB2 SER 20 2HB SER 20 -3.309 0.681 -2.895
147 HB3 SER 20 1HB SER 20 -1.621 0.194 -2.764
148 HG SER 20 HG SER 20 -1.481 0.070 -4.925
149 H VAL 21 H VAL 21 -5.328 -1.930 -2.279
150 HA VAL 21 HA VAL 21 -6.657 -1.818 -4.938
151 HB VAL 21 HB VAL 21 -6.145 -4.252 -3.251
152 HG11 VAL 21 1HG1 VAL 21 -8.503 -4.352 -3.164
153 HG12 VAL 21 2HG1 VAL 21 -8.088 -5.335 -4.569
154 HG13 VAL 21 3HG1 VAL 21 -8.678 -3.688 -4.789
155 HG21 VAL 21 3HG2 VAL 21 -4.853 -4.053 -5.260
156 HG22 VAL 21 1HG2 VAL 21 -6.272 -3.614 -6.208
157 HG23 VAL 21 2HG2 VAL 21 -6.097 -5.257 -5.594
158 H LEU 22 H LEU 22 -8.691 -0.913 -4.676
159 HA LEU 22 HA LEU 22 -9.768 -0.698 -1.889
160 HB2 LEU 22 2HB LEU 22 -9.150 1.233 -3.705
161 HB3 LEU 22 1HB LEU 22 -10.841 0.949 -4.118
162 HG LEU 22 HG LEU 22 -9.990 1.334 -1.250
163 HD11 LEU 22 1HD1 LEU 22 -10.477 3.411 -3.380
164 HD12 LEU 22 2HD1 LEU 22 -9.183 3.342 -2.185
165 HD13 LEU 22 3HD1 LEU 22 -10.824 3.755 -1.686
166 HD21 LEU 22 3HD2 LEU 22 -12.223 0.501 -1.498
167 HD22 LEU 22 1HD2 LEU 22 -12.561 1.610 -2.827
168 HD23 LEU 22 2HD2 LEU 22 -12.386 2.228 -1.185
169 H TYR 23 H TYR 23 -11.618 -1.855 -1.455
170 HA TYR 23 HA TYR 23 -13.459 -2.539 -3.711
171 HB2 TYR 23 2HB TYR 23 -12.066 -4.447 -3.571
172 HB3 TYR 23 1HB TYR 23 -11.986 -4.355 -1.814
173 HD1 TYR 23 HD2 TYR 23 -14.829 -4.373 -4.282
174 HD2 TYR 23 HD1 TYR 23 -13.022 -6.187 -0.831
175 HE1 TYR 23 HE2 TYR 23 -16.747 -5.935 -4.096
176 HE2 TYR 23 HE1 TYR 23 -14.939 -7.746 -0.647
177 HH TYR 23 HH TYR 23 -17.765 -7.333 -1.857
178 H ARG 24 H ARG 24 -15.552 -2.219 -3.140
179 HA ARG 24 HA ARG 24 -17.453 -1.731 -1.851
180 HB2 ARG 24 2HB ARG 24 -16.567 -4.195 -1.352
181 HB3 ARG 24 1HB ARG 24 -16.348 -3.527 0.264
182 HG2 ARG 24 2HG ARG 24 -18.908 -2.691 -0.738
183 HG3 ARG 24 1HG ARG 24 -18.765 -4.438 -0.933
184 HD2 ARG 24 2HD ARG 24 -18.369 -4.772 1.401
185 HD3 ARG 24 1HD ARG 24 -18.066 -3.045 1.668
186 HE ARG 24 HE ARG 24 -20.736 -4.237 1.063
187 HH11 ARG 24 1HH2 ARG 24 -20.085 -2.849 3.670
188 HH12 ARG 24 2HH2 ARG 24 -20.780 -1.283 3.418
189 HH21 ARG 24 2HH1 ARG 24 -21.049 -1.672 -0.027
190 HH22 ARG 24 1HH1 ARG 24 -21.324 -0.612 1.315
191 H GLY 25 H GLY 25 -15.010 -0.044 -1.342
192 HA2 GLY 25 2HA GLY 25 -14.749 1.865 0.051
193 HA3 GLY 25 1HA GLY 25 -15.983 1.213 1.127
194 H ARG 26 H ARG 26 -13.473 -0.985 0.240
195 HA ARG 26 HA ARG 26 -12.205 -0.616 2.928
196 HB2 ARG 26 2HB ARG 26 -13.628 -2.733 2.074
197 HB3 ARG 26 1HB ARG 26 -12.059 -3.183 1.409
198 HG2 ARG 26 2HG ARG 26 -11.031 -3.201 3.547
199 HG3 ARG 26 1HG ARG 26 -12.366 -2.314 4.285
200 HD2 ARG 26 2HD ARG 26 -12.822 -5.029 3.034
201 HD3 ARG 26 1HD ARG 26 -12.276 -4.869 4.715
202 HE ARG 26 HE ARG 26 -14.628 -3.250 3.897
203 HH11 ARG 26 1HH2 ARG 26 -15.305 -6.185 4.035
204 HH12 ARG 26 2HH2 ARG 26 -15.801 -6.358 5.686
205 HH21 ARG 26 2HH1 ARG 26 -14.389 -3.345 6.696
206 HH22 ARG 26 1HH1 ARG 26 -15.278 -4.742 7.200
207 H CYS 27 H CYS 27 -9.918 -0.589 2.974
208 HA CYS 27 HA CYS 27 -8.619 -0.381 0.296
209 HB2 CYS 27 2HB CYS 27 -8.706 1.527 2.026
210 HB3 CYS 27 1HB CYS 27 -7.544 0.577 2.953
211 H TYR 28 H TYR 28 -7.314 -2.011 -0.285
212 HA TYR 28 HA TYR 28 -6.176 -3.851 1.782
213 HB2 TYR 28 2HB TYR 28 -6.826 -4.093 -1.172
214 HB3 TYR 28 1HB TYR 28 -5.938 -5.332 -0.292
215 HD1 TYR 28 HD1 TYR 28 -9.195 -3.586 -0.595
216 HD2 TYR 28 HD2 TYR 28 -7.034 -6.787 1.281
217 HE1 TYR 28 HE1 TYR 28 -11.329 -4.555 0.209
218 HE2 TYR 28 HE2 TYR 28 -9.168 -7.755 2.092
219 HH TYR 28 HH TYR 28 -12.302 -6.256 1.287
220 H CYS 29 H CYS 29 -4.196 -2.798 2.272
221 HA CYS 29 HA CYS 29 -2.451 -2.087 -0.055
222 HB2 CYS 29 2HB CYS 29 -2.774 -1.033 2.752
223 HB3 CYS 29 1HB CYS 29 -1.345 -0.653 1.790
224 H LYS 30 H LYS 30 -0.220 -2.616 0.057
225 HA LYS 30 HA LYS 30 0.709 -4.454 2.201
226 HB2 LYS 30 2HB LYS 30 -0.360 -5.322 -0.236
227 HB3 LYS 30 1HB LYS 30 1.385 -5.401 -0.481
228 HG2 LYS 30 2HG LYS 30 1.363 -6.528 1.906
229 HG3 LYS 30 1HG LYS 30 -0.319 -6.871 1.499
230 HD2 LYS 30 2HD LYS 30 0.963 -7.573 -0.826
231 HD3 LYS 30 1HD LYS 30 2.157 -8.030 0.388
232 HE2 LYS 30 2HE LYS 30 -0.643 -8.804 1.022
233 HE3 LYS 30 1HE LYS 30 0.102 -9.659 -0.342
234 HZ1 LYS 30 3HZ LYS 30 2.101 -9.950 1.116
235 HZ2 LYS 30 1HZ LYS 30 0.733 -10.818 1.614
236 HZ3 LYS 30 2HZ LYS 30 1.166 -9.386 2.418
237 H CYS 31 H CYS 31 3.051 -4.691 2.166
238 HA CYS 31 HA CYS 31 4.565 -2.772 0.434
239 HB2 CYS 31 2HB CYS 31 3.848 -1.850 2.718
240 HB3 CYS 31 1HB CYS 31 4.899 -3.068 3.426
241 H LEU 32 H LEU 32 6.302 -3.873 -0.430
242 HA LEU 32 HA LEU 32 7.530 -6.096 1.145
243 HB2 LEU 32 2HB LEU 32 6.448 -6.109 -1.679
244 HB3 LEU 32 1HB LEU 32 7.596 -7.321 -1.118
245 HG LEU 32 HG LEU 32 4.963 -6.736 0.266
246 HD11 LEU 32 1HD1 LEU 32 4.419 -9.064 -0.749
247 HD12 LEU 32 2HD1 LEU 32 5.722 -8.710 -1.884
248 HD13 LEU 32 3HD1 LEU 32 4.310 -7.655 -1.805
249 HD21 LEU 32 3HD2 LEU 32 5.513 -9.108 1.159
250 HD22 LEU 32 1HD2 LEU 32 6.433 -7.756 1.819
251 HD23 LEU 32 2HD2 LEU 32 7.151 -8.794 0.587
252 H ARG 33 H ARG 33 9.557 -6.895 -0.256
253 HA ARG 33 HA ARG 33 11.746 -6.369 -0.943
254 HB2 ARG 33 2HB ARG 33 10.189 -4.222 -2.433
255 HB3 ARG 33 1HB ARG 33 11.804 -4.792 -2.847
256 HG2 ARG 33 2HG ARG 33 9.293 -6.497 -2.814
257 HG3 ARG 33 1HG ARG 33 10.084 -5.871 -4.259
258 HD2 ARG 33 2HD ARG 33 11.436 -7.687 -4.274
259 HD3 ARG 33 1HD ARG 33 12.083 -7.200 -2.695
260 HE ARG 33 HE ARG 33 9.455 -8.449 -2.478
261 HH11 ARG 33 1HH2 ARG 33 11.384 -10.296 -4.030
262 HH12 ARG 33 2HH2 ARG 33 11.995 -11.272 -2.737
263 HH21 ARG 33 2HH1 ARG 33 10.870 -9.134 -0.239
264 HH22 ARG 33 1HH1 ARG 33 11.700 -10.615 -0.583
265 H CYS 34 HN CYS 34 11.462 -5.496 1.549
266 HA CYS 34 HA CYS 34 12.176 -2.605 1.627
267 HB2 CYS 34 2HB CYS 34 11.387 -4.534 3.831
268 HB3 CYS 34 1HB CYS 34 11.523 -2.784 3.984
Contact the webmaster for help, if required. Thursday, May 16, 2024 6:57:41 AM GMT (wattos1)