NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
487221 |
2koz   |
16539 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 1HT ALA 1 14.660 0.397 2.218
2 H2 ALA 1 2HT ALA 1 14.791 -0.480 0.768
3 H3 ALA 1 3HT ALA 1 16.019 -0.579 1.938
4 HA ALA 1 HA ALA 1 14.841 -2.558 2.248
5 HB1 ALA 1 2HB ALA 1 15.292 -1.263 4.284
6 HB2 ALA 1 3HB ALA 1 13.751 -2.105 4.447
7 HB3 ALA 1 1HB ALA 1 13.779 -0.380 4.078
8 H CYS 2 H CYS 2 13.241 -3.533 1.064
9 HA CYS 2 HA CYS 2 10.826 -2.064 0.278
10 HB2 CYS 2 2HB CYS 2 10.537 -3.895 -1.189
11 HB3 CYS 2 1HB CYS 2 12.284 -3.771 -1.036
12 H ASN 3 H ASN 3 11.717 -3.698 3.053
13 HA ASN 3 HA ASN 3 9.741 -5.446 3.838
14 HB2 ASN 3 2HB ASN 3 10.114 -4.517 6.108
15 HB3 ASN 3 1HB ASN 3 11.629 -4.653 5.215
16 HD21 ASN 3 1HD2 ASN 3 11.352 -2.791 7.373
17 HD22 ASN 3 2HD2 ASN 3 11.411 -1.219 6.736
18 H ASP 4 H ASP 4 7.604 -5.259 4.682
19 HA ASP 4 HA ASP 4 5.880 -3.319 3.498
20 HB2 ASP 4 2HB ASP 4 4.207 -4.378 4.927
21 HB3 ASP 4 1HB ASP 4 5.313 -5.617 4.330
22 H ARG 5 H ARG 5 7.887 -3.138 6.303
23 HA ARG 5 HA ARG 5 6.425 -1.342 7.957
24 HB2 ARG 5 2HB ARG 5 9.167 -2.312 7.565
25 HB3 ARG 5 1HB ARG 5 9.107 -0.671 8.213
26 HG2 ARG 5 2HG ARG 5 7.329 -2.789 9.385
27 HG3 ARG 5 1HG ARG 5 9.025 -2.714 9.864
28 HD2 ARG 5 2HD ARG 5 7.590 -0.112 9.857
29 HD3 ARG 5 1HD ARG 5 7.097 -1.269 11.111
30 HE ARG 5 HE ARG 5 9.865 -1.407 11.136
31 HH11 ARG 5 1HH2 ARG 5 7.497 1.095 11.381
32 HH12 ARG 5 2HH2 ARG 5 8.477 2.100 12.395
33 HH21 ARG 5 1HH1 ARG 5 11.150 -0.106 12.458
34 HH22 ARG 5 2HH1 ARG 5 10.542 1.422 13.005
35 H ASP 6 H ASP 6 9.202 -0.372 5.914
36 HA ASP 6 HA ASP 6 8.343 2.396 5.823
37 HB2 ASP 6 2HB ASP 6 10.554 0.687 4.949
38 HB3 ASP 6 1HB ASP 6 10.180 1.948 3.774
39 H CYS 7 H CYS 7 7.898 -0.417 3.748
40 HA CYS 7 HA CYS 7 7.052 0.966 1.371
41 HB2 CYS 7 2HB CYS 7 7.781 -1.417 1.560
42 HB3 CYS 7 1HB CYS 7 6.297 -1.773 2.445
43 H SER 8 H SER 8 5.093 -0.718 3.869
44 HA SER 8 HA SER 8 2.547 0.147 2.963
45 HB2 SER 8 2HB SER 8 1.836 -0.558 5.166
46 HB3 SER 8 1HB SER 8 3.162 -1.612 4.686
47 HG SER 8 HG SER 8 3.040 0.368 6.635
48 H LEU 9 H LEU 9 4.600 1.569 5.542
49 HA LEU 9 HA LEU 9 3.057 3.778 6.260
50 HB2 LEU 9 2HB LEU 9 5.848 2.941 6.280
51 HB3 LEU 9 1HB LEU 9 5.705 4.692 6.112
52 HG LEU 9 HG LEU 9 3.866 3.527 8.094
53 HD11 LEU 9 1HD1 LEU 9 5.352 2.584 9.536
54 HD12 LEU 9 2HD1 LEU 9 6.604 3.770 9.166
55 HD13 LEU 9 3HD1 LEU 9 6.360 2.385 8.102
56 HD21 LEU 9 3HD2 LEU 9 5.870 5.578 8.823
57 HD22 LEU 9 1HD2 LEU 9 4.119 5.592 9.034
58 HD23 LEU 9 2HD2 LEU 9 4.823 6.010 7.472
59 H ASP 10 H ASP 10 5.471 3.678 3.611
60 HA ASP 10 HA ASP 10 4.916 6.311 2.615
61 HB2 ASP 10 2HB ASP 10 6.769 4.355 2.208
62 HB3 ASP 10 1HB ASP 10 5.800 4.179 0.745
63 H CYS 11 H CYS 11 3.569 3.109 1.851
64 HA CYS 11 HA CYS 11 2.037 3.846 -0.443
65 HB2 CYS 11 2HB CYS 11 1.993 1.718 1.668
66 HB3 CYS 11 1HB CYS 11 0.619 1.834 0.570
67 H ILE 12 H ILE 12 1.246 3.905 3.037
68 HA ILE 12 HA ILE 12 -1.493 4.756 2.695
69 HB ILE 12 HB ILE 12 0.535 4.857 4.943
70 HG12 ILE 12 2HG1 ILE 12 -1.961 3.251 5.065
71 HG13 ILE 12 1HG1 ILE 12 -0.767 2.730 3.874
72 HG21 ILE 12 1HG2 ILE 12 -1.221 5.531 6.443
73 HG22 ILE 12 2HG2 ILE 12 -2.435 5.404 5.170
74 HG23 ILE 12 3HG2 ILE 12 -1.221 6.682 5.106
75 HD11 ILE 12 3HD1 ILE 12 0.786 2.163 5.473
76 HD12 ILE 12 1HD1 ILE 12 -0.676 1.910 6.428
77 HD13 ILE 12 2HD1 ILE 12 0.240 3.408 6.597
78 H MET 13 H MET 13 1.595 6.429 2.838
79 HA MET 13 HA MET 13 0.404 9.087 3.202
80 HB2 MET 13 2HB MET 13 2.992 7.785 3.225
81 HB3 MET 13 1HB MET 13 3.054 9.256 2.252
82 HG2 MET 13 2HG MET 13 1.593 9.464 4.828
83 HG3 MET 13 1HG MET 13 3.342 9.261 4.943
84 HE1 MET 13 3HE MET 13 3.257 12.992 5.520
85 HE2 MET 13 1HE MET 13 4.201 11.517 5.778
86 HE3 MET 13 2HE MET 13 2.500 11.572 6.240
87 H LYS 14 H LYS 14 1.831 7.217 0.521
88 HA LYS 14 HA LYS 14 1.886 9.149 -1.507
89 HB2 LYS 14 2HB LYS 14 1.249 6.195 -1.434
90 HB3 LYS 14 1HB LYS 14 1.364 7.074 -2.959
91 HG2 LYS 14 2HG LYS 14 3.649 7.758 -2.437
92 HG3 LYS 14 1HG LYS 14 3.544 6.993 -0.853
93 HD2 LYS 14 2HD LYS 14 3.008 4.821 -2.136
94 HD3 LYS 14 1HD LYS 14 3.592 5.671 -3.567
95 HE2 LYS 14 2HE LYS 14 5.771 6.028 -2.536
96 HE3 LYS 14 1HE LYS 14 5.197 5.333 -1.007
97 HZ1 LYS 14 3HZ LYS 14 6.390 3.821 -2.742
98 HZ2 LYS 14 1HZ LYS 14 4.873 3.805 -3.498
99 HZ3 LYS 14 2HZ LYS 14 5.031 3.241 -1.904
100 H GLY 15 H GLY 15 -0.901 7.332 -0.259
101 HA2 GLY 15 2HA GLY 15 -2.964 8.969 -0.483
102 HA3 GLY 15 1HA GLY 15 -2.663 8.686 -2.195
103 H TYR 16 H TYR 16 -1.726 5.863 -1.032
104 HA TYR 16 HA TYR 16 -4.325 4.585 -1.579
105 HB2 TYR 16 2HB TYR 16 -1.660 3.334 -0.873
106 HB3 TYR 16 1HB TYR 16 -2.975 2.618 -1.800
107 HD1 TYR 16 1HD TYR 16 -3.753 4.232 -3.868
108 HD2 TYR 16 2HD TYR 16 0.165 4.059 -2.114
109 HE1 TYR 16 1HE TYR 16 -2.776 5.147 -5.956
110 HE2 TYR 16 2HE TYR 16 1.141 4.972 -4.203
111 HH TYR 16 HH TYR 16 -0.918 5.717 -7.020
112 H ASN 17 H ASN 17 -3.542 2.250 0.125
113 HA ASN 17 HA ASN 17 -4.134 3.401 2.833
114 HB2 ASN 17 2HB ASN 17 -6.191 2.572 1.920
115 HB3 ASN 17 1HB ASN 17 -5.407 1.111 1.314
116 HD21 ASN 17 1HD2 ASN 17 -7.056 2.472 4.023
117 HD22 ASN 17 2HD2 ASN 17 -6.790 1.192 5.106
118 H THR 18 H THR 18 -2.781 0.695 0.960
119 HA THR 18 HA THR 18 -0.832 0.193 3.124
120 HB THR 18 HB THR 18 -2.740 -1.101 3.857
121 HG1 THR 18 1HG THR 18 -1.289 -3.060 2.501
122 HG21 THR 18 3HG2 THR 18 -2.946 -2.836 1.505
123 HG22 THR 18 1HG2 THR 18 -3.400 -1.165 1.172
124 HG23 THR 18 2HG2 THR 18 -4.223 -2.065 2.447
125 H GLY 19 H GLY 19 0.636 -1.725 2.397
126 HA2 GLY 19 2HA GLY 19 0.705 -2.407 -0.418
127 HA3 GLY 19 1HA GLY 19 1.905 -1.175 -0.023
128 H SER 20 H SER 20 3.111 -3.339 -0.852
129 HA SER 20 HA SER 20 4.328 -4.486 1.583
130 HB2 SER 20 2HB SER 20 2.790 -6.080 -0.483
131 HB3 SER 20 1HB SER 20 3.891 -6.817 0.678
132 HG SER 20 HG SER 20 1.376 -5.727 1.028
133 H CYS 21 H CYS 21 6.106 -6.152 0.781
134 HA CYS 21 HA CYS 21 7.751 -4.740 -1.188
135 HB2 CYS 21 2HB CYS 21 8.696 -5.696 0.854
136 HB3 CYS 21 1HB CYS 21 8.099 -7.296 0.412
137 H VAL 22 H VAL 22 8.001 -5.318 -3.325
138 HA VAL 22 HA VAL 22 6.819 -7.933 -4.210
139 HB VAL 22 HB VAL 22 6.711 -5.145 -5.386
140 HG11 VAL 22 1HG1 VAL 22 5.851 -7.751 -6.680
141 HG12 VAL 22 2HG1 VAL 22 7.245 -6.789 -7.169
142 HG13 VAL 22 3HG1 VAL 22 5.618 -6.136 -7.349
143 HG21 VAL 22 3HG2 VAL 22 5.025 -5.891 -3.651
144 HG22 VAL 22 1HG2 VAL 22 4.512 -7.144 -4.782
145 HG23 VAL 22 2HG2 VAL 22 4.319 -5.442 -5.203
146 H ARG 23 H ARG 23 8.404 -9.218 -5.070
147 HA ARG 23 HA ARG 23 10.521 -9.821 -5.967
148 HB2 ARG 23 2HB ARG 23 8.977 -8.056 -7.687
149 HB3 ARG 23 1HB ARG 23 10.703 -7.909 -8.017
150 HG2 ARG 23 2HG ARG 23 10.490 -9.789 -9.251
151 HG3 ARG 23 1HG ARG 23 10.333 -10.647 -7.718
152 HD2 ARG 23 2HD ARG 23 8.305 -11.300 -8.559
153 HD3 ARG 23 1HD ARG 23 7.778 -9.674 -8.077
154 HE ARG 23 HE ARG 23 7.716 -9.113 -10.364
155 HH11 ARG 23 1HH2 ARG 23 9.844 -11.768 -9.772
156 HH12 ARG 23 2HH2 ARG 23 10.228 -12.000 -11.444
157 HH21 ARG 23 1HH1 ARG 23 8.211 -9.406 -12.548
158 HH22 ARG 23 2HH1 ARG 23 9.305 -10.666 -13.014
159 H GLY 24 H GLY 24 10.479 -7.622 -3.862
160 HA2 GLY 24 2HA GLY 24 12.400 -6.613 -2.826
161 HA3 GLY 24 1HA GLY 24 13.230 -6.654 -4.383
162 H SER 25 H SER 25 9.946 -5.500 -4.177
163 HA SER 25 HA SER 25 10.936 -2.683 -4.477
164 HB2 SER 25 2HB SER 25 8.507 -3.716 -5.906
165 HB3 SER 25 1HB SER 25 9.613 -2.432 -6.384
166 HG SER 25 HG SER 25 9.650 -4.829 -7.277
167 H CYS 26 H CYS 26 8.310 -1.570 -4.693
168 HA CYS 26 HA CYS 26 6.896 -2.448 -2.225
169 HB2 CYS 26 2HB CYS 26 8.565 -0.858 -1.465
170 HB3 CYS 26 1HB CYS 26 8.119 0.280 -2.737
171 H GLN 27 H GLN 27 4.842 -2.706 -3.014
172 HA GLN 27 HA GLN 27 3.775 -0.639 -4.906
173 HB2 GLN 27 2HB GLN 27 3.709 -3.558 -4.722
174 HB3 GLN 27 1HB GLN 27 2.095 -2.871 -4.908
175 HG2 GLN 27 2HG GLN 27 3.244 -3.358 -7.092
176 HG3 GLN 27 1HG GLN 27 2.768 -1.671 -6.901
177 HE21 GLN 27 1HE2 GLN 27 4.403 -0.162 -7.265
178 HE22 GLN 27 2HE2 GLN 27 6.066 -0.503 -7.224
179 H CYS 28 H CYS 28 1.465 -0.060 -4.552
180 HA CYS 28 HA CYS 28 0.677 -0.331 -1.668
181 HB2 CYS 28 2HB CYS 28 0.141 1.920 -3.634
182 HB3 CYS 28 1HB CYS 28 -0.239 1.928 -1.912
183 H ARG 29 H ARG 29 -1.716 -0.206 -1.324
184 HA ARG 29 HA ARG 29 -3.379 -0.937 -3.684
185 HB2 ARG 29 2HB ARG 29 -2.765 -2.616 -1.249
186 HB3 ARG 29 1HB ARG 29 -4.238 -2.873 -2.182
187 HG2 ARG 29 2HG ARG 29 -2.285 -2.717 -4.141
188 HG3 ARG 29 1HG ARG 29 -1.474 -3.589 -2.839
189 HD2 ARG 29 2HD ARG 29 -4.242 -4.341 -3.828
190 HD3 ARG 29 1HD ARG 29 -2.754 -5.075 -4.459
191 HE ARG 29 HE ARG 29 -2.542 -5.183 -1.658
192 HH11 ARG 29 1HH2 ARG 29 -4.632 -6.344 -4.151
193 HH12 ARG 29 2HH2 ARG 29 -5.084 -7.772 -3.283
194 HH21 ARG 29 1HH1 ARG 29 -3.126 -7.041 -0.518
195 HH22 ARG 29 2HH1 ARG 29 -4.233 -8.167 -1.230
196 H ARG 30 H ARG 30 -5.389 0.003 -3.500
197 HA ARG 30 HA ARG 30 -6.036 1.452 -0.995
198 HB2 ARG 30 2HB ARG 30 -7.009 1.410 -3.850
199 HB3 ARG 30 1HB ARG 30 -7.933 2.243 -2.600
200 HG2 ARG 30 2HG ARG 30 -5.317 3.081 -2.148
201 HG3 ARG 30 1HG ARG 30 -5.447 3.046 -3.907
202 HD2 ARG 30 2HD ARG 30 -7.873 4.177 -2.995
203 HD3 ARG 30 1HD ARG 30 -6.582 4.964 -2.065
204 HE ARG 30 HE ARG 30 -5.537 4.925 -4.602
205 HH11 ARG 30 1HH2 ARG 30 -8.566 5.898 -3.257
206 HH12 ARG 30 2HH2 ARG 30 -8.844 7.126 -4.445
207 HH21 ARG 30 1HH1 ARG 30 -5.890 6.524 -6.155
208 HH22 ARG 30 2HH1 ARG 30 -7.332 7.480 -6.083
209 H THR 31 H THR 31 -8.054 1.123 0.111
210 HA THR 31 HA THR 31 -9.292 -1.561 -0.391
211 HB THR 31 HB THR 31 -10.005 -1.052 2.103
212 HG1 THR 31 1HG THR 31 -8.958 0.534 3.025
213 HG21 THR 31 3HG2 THR 31 -7.703 -1.886 2.835
214 HG22 THR 31 1HG2 THR 31 -7.237 -1.781 1.137
215 HG23 THR 31 2HG2 THR 31 -8.536 -2.867 1.629
216 H SER 32 H SER 32 -10.661 -0.371 -2.061
217 HA SER 32 HA SER 32 -13.213 0.409 -0.869
218 HB2 SER 32 2HB SER 32 -13.141 2.704 -1.348
219 HB3 SER 32 1HB SER 32 -11.488 2.396 -0.826
220 HG SER 32 HG SER 32 -12.511 2.961 -3.346
221 H GLY 33 H GLY 33 -14.871 0.692 -2.554
222 HA2 GLY 33 2HA GLY 33 -15.111 0.851 -5.124
223 HA3 GLY 33 1HA GLY 33 -14.053 -0.561 -5.140
Start of MODEL 2
1 H1 ALA 1 1HT ALA 1 15.441 -5.133 -0.618
2 H2 ALA 1 2HT ALA 1 14.904 -5.352 0.978
3 H3 ALA 1 3HT ALA 1 16.564 -5.407 0.622
4 HA ALA 1 HA ALA 1 16.467 -3.278 1.402
5 HB1 ALA 1 2HB ALA 1 17.089 -2.248 -0.518
6 HB2 ALA 1 3HB ALA 1 15.458 -2.352 -1.179
7 HB3 ALA 1 1HB ALA 1 16.569 -3.710 -1.356
8 H CYS 2 H CYS 2 13.443 -4.451 0.136
9 HA CYS 2 HA CYS 2 11.957 -2.021 0.947
10 HB2 CYS 2 2HB CYS 2 11.236 -3.003 -1.087
11 HB3 CYS 2 1HB CYS 2 11.342 -4.636 -0.437
12 H ASN 3 H ASN 3 10.347 -2.074 2.612
13 HA ASN 3 HA ASN 3 10.279 -4.485 4.370
14 HB2 ASN 3 2HB ASN 3 12.028 -2.614 4.954
15 HB3 ASN 3 1HB ASN 3 10.614 -1.723 5.518
16 HD21 ASN 3 1HD2 ASN 3 11.925 -2.089 7.674
17 HD22 ASN 3 2HD2 ASN 3 11.551 -3.502 8.538
18 H ASP 4 H ASP 4 8.193 -4.858 5.076
19 HA ASP 4 HA ASP 4 5.953 -3.430 4.107
20 HB2 ASP 4 2HB ASP 4 4.728 -4.825 5.652
21 HB3 ASP 4 1HB ASP 4 6.117 -5.763 5.100
22 H ARG 5 H ARG 5 8.100 -2.655 6.702
23 HA ARG 5 HA ARG 5 6.287 -1.057 8.303
24 HB2 ARG 5 2HB ARG 5 9.056 -1.890 8.212
25 HB3 ARG 5 1HB ARG 5 8.958 -0.170 8.586
26 HG2 ARG 5 2HG ARG 5 7.011 -1.887 10.009
27 HG3 ARG 5 1HG ARG 5 8.701 -2.128 10.456
28 HD2 ARG 5 2HD ARG 5 7.853 0.707 10.212
29 HD3 ARG 5 1HD ARG 5 7.155 -0.193 11.572
30 HE ARG 5 HE ARG 5 9.824 -0.929 11.605
31 HH11 ARG 5 1HH2 ARG 5 8.075 2.051 11.589
32 HH12 ARG 5 2HH2 ARG 5 9.276 2.908 12.495
33 HH21 ARG 5 1HH1 ARG 5 11.394 0.181 12.787
34 HH22 ARG 5 2HH1 ARG 5 11.153 1.852 13.172
35 H ASP 6 H ASP 6 9.046 0.015 6.273
36 HA ASP 6 HA ASP 6 8.027 2.734 6.112
37 HB2 ASP 6 2HB ASP 6 10.384 1.175 5.431
38 HB3 ASP 6 1HB ASP 6 9.975 2.300 4.136
39 H CYS 7 H CYS 7 7.812 -0.143 4.082
40 HA CYS 7 HA CYS 7 7.016 1.151 1.643
41 HB2 CYS 7 2HB CYS 7 7.751 -1.305 2.269
42 HB3 CYS 7 1HB CYS 7 6.020 -1.551 2.506
43 H SER 8 H SER 8 5.057 -0.386 4.235
44 HA SER 8 HA SER 8 2.509 0.333 3.134
45 HB2 SER 8 2HB SER 8 1.757 -0.201 5.448
46 HB3 SER 8 1HB SER 8 2.887 -1.404 4.834
47 HG SER 8 HG SER 8 3.269 0.632 6.739
48 H LEU 9 H LEU 9 4.374 1.833 5.811
49 HA LEU 9 HA LEU 9 2.749 4.027 6.382
50 HB2 LEU 9 2HB LEU 9 5.561 3.251 6.586
51 HB3 LEU 9 1HB LEU 9 5.366 4.999 6.440
52 HG LEU 9 HG LEU 9 3.607 3.471 8.333
53 HD11 LEU 9 1HD1 LEU 9 5.726 2.692 9.065
54 HD12 LEU 9 2HD1 LEU 9 5.384 4.084 10.095
55 HD13 LEU 9 3HD1 LEU 9 6.498 4.243 8.736
56 HD21 LEU 9 3HD2 LEU 9 4.228 5.809 9.523
57 HD22 LEU 9 1HD2 LEU 9 2.915 5.664 8.355
58 HD23 LEU 9 2HD2 LEU 9 4.490 6.273 7.841
59 H ASP 10 H ASP 10 5.298 3.867 3.867
60 HA ASP 10 HA ASP 10 4.798 6.499 2.801
61 HB2 ASP 10 2HB ASP 10 6.683 4.524 2.551
62 HB3 ASP 10 1HB ASP 10 5.833 4.380 1.013
63 H CYS 11 H CYS 11 3.659 3.241 1.901
64 HA CYS 11 HA CYS 11 2.222 3.946 -0.455
65 HB2 CYS 11 2HB CYS 11 2.152 1.783 1.623
66 HB3 CYS 11 1HB CYS 11 0.855 1.846 0.429
67 H ILE 12 H ILE 12 1.156 3.787 2.957
68 HA ILE 12 HA ILE 12 -1.574 4.512 2.498
69 HB ILE 12 HB ILE 12 0.342 4.787 4.828
70 HG12 ILE 12 2HG1 ILE 12 -2.023 2.933 4.482
71 HG13 ILE 12 1HG1 ILE 12 -0.408 2.507 3.916
72 HG21 ILE 12 1HG2 ILE 12 -2.489 5.668 4.510
73 HG22 ILE 12 2HG2 ILE 12 -1.214 6.333 5.530
74 HG23 ILE 12 3HG2 ILE 12 -2.061 4.868 6.021
75 HD11 ILE 12 3HD1 ILE 12 0.494 2.560 6.112
76 HD12 ILE 12 1HD1 ILE 12 -1.050 1.725 6.283
77 HD13 ILE 12 2HD1 ILE 12 -0.907 3.418 6.753
78 H MET 13 H MET 13 1.366 6.426 2.891
79 HA MET 13 HA MET 13 0.061 8.986 3.216
80 HB2 MET 13 2HB MET 13 2.672 7.845 3.173
81 HB3 MET 13 1HB MET 13 2.654 9.175 2.017
82 HG2 MET 13 2HG MET 13 1.334 9.673 4.635
83 HG3 MET 13 1HG MET 13 3.096 9.562 4.644
84 HE1 MET 13 3HE MET 13 4.492 12.440 3.672
85 HE2 MET 13 1HE MET 13 4.426 11.478 2.189
86 HE3 MET 13 2HE MET 13 4.575 10.682 3.754
87 H LYS 14 H LYS 14 1.241 7.145 0.418
88 HA LYS 14 HA LYS 14 1.078 9.122 -1.591
89 HB2 LYS 14 2HB LYS 14 0.485 6.147 -1.584
90 HB3 LYS 14 1HB LYS 14 0.669 7.100 -3.056
91 HG2 LYS 14 2HG LYS 14 2.945 7.608 -2.565
92 HG3 LYS 14 1HG LYS 14 2.787 7.047 -0.900
93 HD2 LYS 14 2HD LYS 14 3.512 5.029 -1.588
94 HD3 LYS 14 1HD LYS 14 2.010 4.865 -2.498
95 HE2 LYS 14 2HE LYS 14 3.322 4.798 -4.357
96 HE3 LYS 14 1HE LYS 14 3.587 6.534 -4.098
97 HZ1 LYS 14 3HZ LYS 14 5.298 4.272 -3.406
98 HZ2 LYS 14 1HZ LYS 14 5.237 5.547 -2.289
99 HZ3 LYS 14 2HZ LYS 14 5.722 5.845 -3.889
100 H GLY 15 H GLY 15 -1.456 7.659 0.250
101 HA2 GLY 15 2HA GLY 15 -3.654 8.775 0.215
102 HA3 GLY 15 1HA GLY 15 -3.451 8.948 -1.524
103 H TYR 16 H TYR 16 -2.262 5.960 -0.701
104 HA TYR 16 HA TYR 16 -4.666 4.623 -1.767
105 HB2 TYR 16 2HB TYR 16 -1.897 3.654 -0.984
106 HB3 TYR 16 1HB TYR 16 -3.095 2.705 -1.859
107 HD1 TYR 16 2HD TYR 16 -4.225 4.241 -3.877
108 HD2 TYR 16 1HD TYR 16 -0.222 4.523 -2.348
109 HE1 TYR 16 2HE TYR 16 -3.481 5.256 -6.014
110 HE2 TYR 16 1HE TYR 16 0.523 5.538 -4.484
111 HH TYR 16 HH TYR 16 -1.747 5.979 -7.198
112 H ASN 17 H ASN 17 -3.594 2.171 -0.148
113 HA ASN 17 HA ASN 17 -4.845 2.876 2.483
114 HB2 ASN 17 2HB ASN 17 -6.550 1.822 1.173
115 HB3 ASN 17 1HB ASN 17 -5.426 0.604 0.569
116 HD21 ASN 17 1HD2 ASN 17 -7.105 1.689 3.541
117 HD22 ASN 17 2HD2 ASN 17 -7.006 0.189 4.333
118 H THR 18 H THR 18 -2.752 0.666 0.643
119 HA THR 18 HA THR 18 -0.988 0.327 2.955
120 HB THR 18 HB THR 18 -2.817 -1.183 3.540
121 HG1 THR 18 1HG THR 18 -1.450 -2.693 4.043
122 HG21 THR 18 3HG2 THR 18 -2.519 -1.973 0.669
123 HG22 THR 18 1HG2 THR 18 -3.986 -1.693 1.606
124 HG23 THR 18 2HG2 THR 18 -3.073 -3.185 1.826
125 H GLY 19 H GLY 19 0.586 -1.673 2.291
126 HA2 GLY 19 2HA GLY 19 0.961 -2.089 -0.550
127 HA3 GLY 19 1HA GLY 19 2.102 -0.904 0.084
128 H SER 20 H SER 20 3.335 -3.043 -0.845
129 HA SER 20 HA SER 20 4.452 -4.318 1.552
130 HB2 SER 20 2HB SER 20 2.404 -5.553 -0.142
131 HB3 SER 20 1HB SER 20 3.852 -6.545 -0.001
132 HG SER 20 HG SER 20 2.222 -6.825 1.685
133 H CYS 21 H CYS 21 6.097 -6.125 0.655
134 HA CYS 21 HA CYS 21 7.804 -4.737 -1.297
135 HB2 CYS 21 2HB CYS 21 8.027 -7.292 0.324
136 HB3 CYS 21 1HB CYS 21 9.319 -6.683 -0.709
137 H VAL 22 H VAL 22 7.987 -5.297 -3.445
138 HA VAL 22 HA VAL 22 6.591 -7.805 -4.336
139 HB VAL 22 HB VAL 22 6.876 -5.075 -5.627
140 HG11 VAL 22 1HG1 VAL 22 6.050 -7.738 -6.692
141 HG12 VAL 22 2HG1 VAL 22 6.841 -6.394 -7.517
142 HG13 VAL 22 3HG1 VAL 22 5.108 -6.336 -7.196
143 HG21 VAL 22 3HG2 VAL 22 4.190 -5.968 -5.422
144 HG22 VAL 22 1HG2 VAL 22 4.952 -4.646 -4.539
145 HG23 VAL 22 2HG2 VAL 22 4.947 -6.272 -3.858
146 H ARG 23 H ARG 23 8.183 -9.255 -4.884
147 HA ARG 23 HA ARG 23 10.218 -10.091 -5.767
148 HB2 ARG 23 2HB ARG 23 9.454 -7.891 -7.716
149 HB3 ARG 23 1HB ARG 23 10.603 -9.184 -8.064
150 HG2 ARG 23 2HG ARG 23 8.648 -10.765 -7.332
151 HG3 ARG 23 1HG ARG 23 7.630 -9.362 -7.657
152 HD2 ARG 23 2HD ARG 23 9.660 -10.132 -9.726
153 HD3 ARG 23 1HD ARG 23 8.171 -11.089 -9.603
154 HE ARG 23 HE ARG 23 8.336 -8.315 -10.492
155 HH11 ARG 23 1HH2 ARG 23 6.431 -10.741 -8.937
156 HH12 ARG 23 2HH2 ARG 23 4.921 -9.991 -9.333
157 HH21 ARG 23 1HH1 ARG 23 6.374 -7.330 -11.011
158 HH22 ARG 23 2HH1 ARG 23 4.888 -8.062 -10.505
159 H GLY 24 H GLY 24 10.321 -7.676 -3.882
160 HA2 GLY 24 2HA GLY 24 12.375 -6.803 -2.931
161 HA3 GLY 24 1HA GLY 24 13.133 -6.946 -4.517
162 H SER 25 H SER 25 9.934 -5.561 -4.099
163 HA SER 25 HA SER 25 11.085 -2.836 -4.583
164 HB2 SER 25 2HB SER 25 10.269 -4.040 -6.654
165 HB3 SER 25 1HB SER 25 8.659 -4.052 -5.940
166 HG SER 25 HG SER 25 10.260 -1.776 -6.525
167 H CYS 26 H CYS 26 8.482 -1.630 -4.808
168 HA CYS 26 HA CYS 26 7.127 -2.240 -2.225
169 HB2 CYS 26 2HB CYS 26 8.984 -0.083 -2.788
170 HB3 CYS 26 1HB CYS 26 7.401 0.567 -2.367
171 H GLN 27 H GLN 27 5.024 -2.486 -2.922
172 HA GLN 27 HA GLN 27 3.972 -0.514 -4.927
173 HB2 GLN 27 2HB GLN 27 3.517 -3.450 -4.415
174 HB3 GLN 27 1HB GLN 27 2.305 -2.500 -5.273
175 HG2 GLN 27 2HG GLN 27 4.824 -1.819 -6.392
176 HG3 GLN 27 1HG GLN 27 4.769 -3.578 -6.283
177 HE21 GLN 27 1HE2 GLN 27 4.182 -1.283 -8.493
178 HE22 GLN 27 2HE2 GLN 27 2.835 -1.939 -9.294
179 H CYS 28 H CYS 28 1.738 0.180 -4.570
180 HA CYS 28 HA CYS 28 0.837 -0.145 -1.725
181 HB2 CYS 28 2HB CYS 28 0.451 2.235 -3.562
182 HB3 CYS 28 1HB CYS 28 0.161 2.174 -1.823
183 H ARG 29 H ARG 29 -1.493 -0.149 -1.420
184 HA ARG 29 HA ARG 29 -3.135 -0.507 -3.893
185 HB2 ARG 29 2HB ARG 29 -2.809 -2.383 -1.536
186 HB3 ARG 29 1HB ARG 29 -4.131 -2.523 -2.695
187 HG2 ARG 29 2HG ARG 29 -1.958 -2.314 -4.359
188 HG3 ARG 29 1HG ARG 29 -1.289 -3.225 -3.004
189 HD2 ARG 29 2HD ARG 29 -3.957 -4.009 -4.174
190 HD3 ARG 29 1HD ARG 29 -2.444 -4.574 -4.914
191 HE ARG 29 HE ARG 29 -2.025 -5.073 -2.246
192 HH11 ARG 29 1HH2 ARG 29 -4.582 -5.758 -4.464
193 HH12 ARG 29 2HH2 ARG 29 -5.057 -7.219 -3.665
194 HH21 ARG 29 1HH1 ARG 29 -2.638 -6.976 -1.195
195 HH22 ARG 29 2HH1 ARG 29 -3.960 -7.908 -1.817
196 H ARG 30 H ARG 30 -5.388 -0.034 -3.547
197 HA ARG 30 HA ARG 30 -5.893 1.737 -1.228
198 HB2 ARG 30 2HB ARG 30 -7.377 1.044 -3.781
199 HB3 ARG 30 1HB ARG 30 -7.987 2.190 -2.585
200 HG2 ARG 30 2HG ARG 30 -5.911 3.528 -2.833
201 HG3 ARG 30 1HG ARG 30 -5.355 2.407 -4.076
202 HD2 ARG 30 2HD ARG 30 -6.941 3.132 -5.629
203 HD3 ARG 30 1HD ARG 30 -8.060 3.695 -4.371
204 HE ARG 30 HE ARG 30 -5.843 5.228 -5.470
205 HH11 ARG 30 1HH2 ARG 30 -7.772 4.573 -2.680
206 HH12 ARG 30 2HH2 ARG 30 -7.509 6.131 -1.972
207 HH21 ARG 30 1HH1 ARG 30 -5.493 7.263 -4.555
208 HH22 ARG 30 2HH1 ARG 30 -6.220 7.651 -3.032
209 H THR 31 H THR 31 -8.562 1.450 -0.776
210 HA THR 31 HA THR 31 -8.812 -1.379 0.193
211 HB THR 31 HB THR 31 -8.576 0.124 2.032
212 HG1 THR 31 1HG THR 31 -10.276 -0.657 2.944
213 HG21 THR 31 3HG2 THR 31 -8.792 2.288 1.273
214 HG22 THR 31 1HG2 THR 31 -10.375 2.104 2.031
215 HG23 THR 31 2HG2 THR 31 -10.204 1.912 0.285
216 H SER 32 H SER 32 -9.961 0.658 -2.146
217 HA SER 32 HA SER 32 -12.751 -0.435 -1.996
218 HB2 SER 32 2HB SER 32 -11.731 1.922 -3.596
219 HB3 SER 32 1HB SER 32 -13.400 1.549 -3.174
220 HG SER 32 HG SER 32 -12.843 1.907 -0.992
221 H GLY 33 H GLY 33 -12.384 -2.410 -3.126
222 HA2 GLY 33 2HA GLY 33 -12.792 -2.828 -5.704
223 HA3 GLY 33 1HA GLY 33 -11.135 -2.231 -5.816
Start of MODEL 3
1 H1 ALA 1 1HT ALA 1 16.926 -2.421 0.446
2 H2 ALA 1 2HT ALA 1 16.911 -2.814 -1.208
3 H3 ALA 1 3HT ALA 1 17.835 -3.736 -0.119
4 HA ALA 1 HA ALA 1 15.531 -4.622 -0.928
5 HB1 ALA 1 2HB ALA 1 16.911 -4.603 1.742
6 HB2 ALA 1 3HB ALA 1 16.798 -5.907 0.557
7 HB3 ALA 1 1HB ALA 1 15.405 -5.505 1.562
8 H CYS 2 H CYS 2 13.294 -4.558 -0.335
9 HA CYS 2 HA CYS 2 12.403 -1.957 0.781
10 HB2 CYS 2 2HB CYS 2 11.473 -2.740 -1.338
11 HB3 CYS 2 1HB CYS 2 11.006 -4.273 -0.597
12 H ASN 3 H ASN 3 10.820 -1.888 2.519
13 HA ASN 3 HA ASN 3 10.793 -4.354 4.232
14 HB2 ASN 3 2HB ASN 3 11.795 -1.727 4.673
15 HB3 ASN 3 1HB ASN 3 10.368 -1.911 5.694
16 HD21 ASN 3 1HD2 ASN 3 10.352 -4.318 6.756
17 HD22 ASN 3 2HD2 ASN 3 11.826 -4.764 7.468
18 H ASP 4 H ASP 4 8.758 -5.061 4.815
19 HA ASP 4 HA ASP 4 6.383 -4.094 3.627
20 HB2 ASP 4 2HB ASP 4 7.249 -6.123 5.410
21 HB3 ASP 4 1HB ASP 4 5.893 -5.314 6.197
22 H ARG 5 H ARG 5 8.017 -3.094 6.580
23 HA ARG 5 HA ARG 5 5.778 -1.577 7.661
24 HB2 ARG 5 2HB ARG 5 7.863 -2.610 8.808
25 HB3 ARG 5 1HB ARG 5 8.715 -1.173 8.239
26 HG2 ARG 5 2HG ARG 5 7.747 0.144 9.802
27 HG3 ARG 5 1HG ARG 5 6.149 -0.538 9.498
28 HD2 ARG 5 2HD ARG 5 6.994 -2.624 10.781
29 HD3 ARG 5 1HD ARG 5 8.296 -1.565 11.361
30 HE ARG 5 HE ARG 5 6.693 -0.361 12.625
31 HH11 ARG 5 1HH2 ARG 5 5.220 -2.399 10.256
32 HH12 ARG 5 2HH2 ARG 5 3.613 -2.134 10.840
33 HH21 ARG 5 1HH1 ARG 5 4.601 -0.007 13.392
34 HH22 ARG 5 2HH1 ARG 5 3.262 -0.780 12.612
35 H ASP 6 H ASP 6 8.622 -0.831 5.663
36 HA ASP 6 HA ASP 6 8.163 2.048 5.672
37 HB2 ASP 6 2HB ASP 6 9.997 0.043 4.487
38 HB3 ASP 6 1HB ASP 6 9.791 1.520 3.546
39 H CYS 7 H CYS 7 7.365 -0.654 3.499
40 HA CYS 7 HA CYS 7 6.428 0.937 1.297
41 HB2 CYS 7 2HB CYS 7 6.912 -1.696 1.804
42 HB3 CYS 7 1HB CYS 7 5.150 -1.679 1.855
43 H SER 8 H SER 8 4.643 -0.673 3.965
44 HA SER 8 HA SER 8 2.050 0.270 3.257
45 HB2 SER 8 2HB SER 8 1.531 -0.346 5.574
46 HB3 SER 8 1HB SER 8 2.642 -1.528 4.891
47 HG SER 8 HG SER 8 3.149 0.575 6.709
48 H LEU 9 H LEU 9 4.430 1.622 5.574
49 HA LEU 9 HA LEU 9 2.977 3.914 6.374
50 HB2 LEU 9 2HB LEU 9 5.633 2.827 6.508
51 HB3 LEU 9 1HB LEU 9 5.741 4.546 6.134
52 HG LEU 9 HG LEU 9 3.818 3.711 8.258
53 HD11 LEU 9 1HD1 LEU 9 6.068 4.192 9.725
54 HD12 LEU 9 2HD1 LEU 9 6.748 3.315 8.355
55 HD13 LEU 9 3HD1 LEU 9 5.480 2.577 9.333
56 HD21 LEU 9 3HD2 LEU 9 5.452 6.085 7.469
57 HD22 LEU 9 1HD2 LEU 9 5.086 5.883 9.183
58 HD23 LEU 9 2HD2 LEU 9 3.775 6.008 8.011
59 H ASP 10 H ASP 10 5.299 3.559 3.668
60 HA ASP 10 HA ASP 10 4.912 6.254 2.681
61 HB2 ASP 10 2HB ASP 10 6.697 4.204 2.330
62 HB3 ASP 10 1HB ASP 10 5.785 4.125 0.822
63 H CYS 11 H CYS 11 3.651 3.058 1.692
64 HA CYS 11 HA CYS 11 2.159 3.819 -0.574
65 HB2 CYS 11 2HB CYS 11 2.003 1.718 1.553
66 HB3 CYS 11 1HB CYS 11 0.640 1.866 0.447
67 H ILE 12 H ILE 12 1.148 3.796 2.858
68 HA ILE 12 HA ILE 12 -1.499 4.835 2.367
69 HB ILE 12 HB ILE 12 0.362 4.623 4.740
70 HG12 ILE 12 2HG1 ILE 12 -2.224 3.306 4.885
71 HG13 ILE 12 1HG1 ILE 12 -1.363 2.837 3.418
72 HG21 ILE 12 1HG2 ILE 12 -1.575 5.288 6.148
73 HG22 ILE 12 2HG2 ILE 12 -2.482 5.681 4.687
74 HG23 ILE 12 3HG2 ILE 12 -1.038 6.603 5.105
75 HD11 ILE 12 3HD1 ILE 12 0.467 2.915 5.653
76 HD12 ILE 12 1HD1 ILE 12 0.063 1.559 4.600
77 HD13 ILE 12 2HD1 ILE 12 -0.911 1.881 6.035
78 H MET 13 H MET 13 1.657 6.309 2.851
79 HA MET 13 HA MET 13 0.743 8.983 3.440
80 HB2 MET 13 2HB MET 13 3.207 7.508 2.894
81 HB3 MET 13 1HB MET 13 3.244 9.131 2.206
82 HG2 MET 13 2HG MET 13 3.315 10.125 4.246
83 HG3 MET 13 1HG MET 13 2.132 9.011 4.930
84 HE1 MET 13 3HE MET 13 5.135 10.380 5.669
85 HE2 MET 13 1HE MET 13 5.806 9.178 6.778
86 HE3 MET 13 2HE MET 13 4.142 9.719 6.965
87 H LYS 14 H LYS 14 1.242 7.169 0.465
88 HA LYS 14 HA LYS 14 1.276 9.416 -1.346
89 HB2 LYS 14 2HB LYS 14 0.499 6.500 -1.684
90 HB3 LYS 14 1HB LYS 14 0.852 7.612 -3.007
91 HG2 LYS 14 2HG LYS 14 3.127 7.783 -2.423
92 HG3 LYS 14 1HG LYS 14 2.844 7.175 -0.790
93 HD2 LYS 14 2HD LYS 14 3.632 5.225 -1.690
94 HD3 LYS 14 1HD LYS 14 1.958 5.058 -2.222
95 HE2 LYS 14 2HE LYS 14 3.186 4.715 -4.217
96 HE3 LYS 14 1HE LYS 14 2.762 6.436 -4.314
97 HZ1 LYS 14 3HZ LYS 14 5.255 5.620 -4.503
98 HZ2 LYS 14 1HZ LYS 14 5.163 5.713 -2.813
99 HZ3 LYS 14 2HZ LYS 14 4.849 7.091 -3.756
100 H GLY 15 H GLY 15 -1.281 7.610 0.242
101 HA2 GLY 15 2HA GLY 15 -3.422 8.946 0.438
102 HA3 GLY 15 1HA GLY 15 -3.279 9.172 -1.301
103 H TYR 16 H TYR 16 -2.227 6.098 -0.308
104 HA TYR 16 HA TYR 16 -4.670 4.876 -1.470
105 HB2 TYR 16 2HB TYR 16 -1.900 3.850 -0.767
106 HB3 TYR 16 1HB TYR 16 -3.151 2.883 -1.544
107 HD1 TYR 16 1HD TYR 16 -1.317 6.126 -1.929
108 HD2 TYR 16 2HD TYR 16 -3.342 2.879 -3.878
109 HE1 TYR 16 1HE TYR 16 -0.673 7.052 -4.136
110 HE2 TYR 16 2HE TYR 16 -2.697 3.805 -6.087
111 HH TYR 16 HH TYR 16 -2.091 6.194 -6.970
112 H ASN 17 H ASN 17 -4.150 2.316 -0.095
113 HA ASN 17 HA ASN 17 -5.125 3.049 2.647
114 HB2 ASN 17 2HB ASN 17 -6.913 2.127 1.352
115 HB3 ASN 17 1HB ASN 17 -5.874 0.863 0.692
116 HD21 ASN 17 1HD2 ASN 17 -6.109 1.915 4.117
117 HD22 ASN 17 2HD2 ASN 17 -6.638 0.411 4.703
118 H THR 18 H THR 18 -3.077 0.898 0.728
119 HA THR 18 HA THR 18 -1.286 0.394 2.935
120 HB THR 18 HB THR 18 -3.320 -0.893 3.621
121 HG1 THR 18 1HG THR 18 -1.502 -1.774 4.390
122 HG21 THR 18 3HG2 THR 18 -4.472 -1.886 1.957
123 HG22 THR 18 1HG2 THR 18 -3.221 -3.128 1.959
124 HG23 THR 18 2HG2 THR 18 -3.106 -1.763 0.848
125 H GLY 19 H GLY 19 0.275 -1.472 2.303
126 HA2 GLY 19 2HA GLY 19 0.326 -2.349 -0.457
127 HA3 GLY 19 1HA GLY 19 1.458 -1.024 -0.181
128 H SER 20 H SER 20 2.866 -3.050 -0.860
129 HA SER 20 HA SER 20 4.178 -3.986 1.597
130 HB2 SER 20 2HB SER 20 2.974 -5.991 -0.329
131 HB3 SER 20 1HB SER 20 3.733 -6.329 1.222
132 HG SER 20 HG SER 20 2.020 -5.453 2.257
133 H CYS 21 H CYS 21 6.159 -5.319 1.002
134 HA CYS 21 HA CYS 21 7.495 -4.135 -1.322
135 HB2 CYS 21 2HB CYS 21 8.304 -6.200 0.751
136 HB3 CYS 21 1HB CYS 21 9.409 -5.466 -0.411
137 H VAL 22 H VAL 22 8.407 -5.397 -3.077
138 HA VAL 22 HA VAL 22 7.314 -8.161 -3.400
139 HB VAL 22 HB VAL 22 7.213 -6.001 -5.523
140 HG11 VAL 22 1HG1 VAL 22 6.604 -8.859 -5.383
141 HG12 VAL 22 2HG1 VAL 22 6.793 -7.822 -6.798
142 HG13 VAL 22 3HG1 VAL 22 5.240 -7.905 -5.965
143 HG21 VAL 22 3HG2 VAL 22 4.796 -5.844 -4.986
144 HG22 VAL 22 1HG2 VAL 22 5.793 -5.350 -3.619
145 HG23 VAL 22 2HG2 VAL 22 5.036 -6.942 -3.628
146 H ARG 23 H ARG 23 9.210 -9.320 -3.562
147 HA ARG 23 HA ARG 23 11.366 -9.953 -4.302
148 HB2 ARG 23 2HB ARG 23 9.808 -8.789 -6.541
149 HB3 ARG 23 1HB ARG 23 11.540 -8.955 -6.832
150 HG2 ARG 23 2HG ARG 23 10.967 -11.084 -7.430
151 HG3 ARG 23 1HG ARG 23 11.014 -11.361 -5.689
152 HD2 ARG 23 2HD ARG 23 8.722 -11.495 -5.515
153 HD3 ARG 23 1HD ARG 23 8.457 -10.298 -6.798
154 HE ARG 23 HE ARG 23 9.680 -12.526 -8.022
155 HH11 ARG 23 1HH2 ARG 23 6.791 -11.739 -6.298
156 HH12 ARG 23 2HH2 ARG 23 5.829 -12.922 -7.116
157 HH21 ARG 23 1HH1 ARG 23 8.431 -14.072 -9.093
158 HH22 ARG 23 2HH1 ARG 23 6.755 -14.241 -8.694
159 H GLY 24 H GLY 24 10.996 -7.209 -2.998
160 HA2 GLY 24 2HA GLY 24 12.863 -5.805 -2.321
161 HA3 GLY 24 1HA GLY 24 13.624 -6.124 -3.881
162 H SER 25 H SER 25 10.229 -5.380 -3.787
163 HA SER 25 HA SER 25 10.841 -2.626 -4.812
164 HB2 SER 25 2HB SER 25 8.756 -4.642 -5.707
165 HB3 SER 25 1HB SER 25 8.922 -3.013 -6.356
166 HG SER 25 HG SER 25 10.374 -5.272 -6.860
167 H CYS 26 H CYS 26 8.206 -1.729 -5.006
168 HA CYS 26 HA CYS 26 6.969 -2.160 -2.333
169 HB2 CYS 26 2HB CYS 26 8.728 -0.055 -2.978
170 HB3 CYS 26 1HB CYS 26 7.117 0.659 -3.007
171 H GLN 27 H GLN 27 4.839 -2.534 -2.798
172 HA GLN 27 HA GLN 27 3.582 -0.975 -5.034
173 HB2 GLN 27 2HB GLN 27 3.756 -3.807 -4.379
174 HB3 GLN 27 1HB GLN 27 2.076 -3.288 -4.526
175 HG2 GLN 27 2HG GLN 27 3.801 -2.171 -6.617
176 HG3 GLN 27 1HG GLN 27 3.741 -3.935 -6.642
177 HE21 GLN 27 1HE2 GLN 27 1.478 -1.132 -6.344
178 HE22 GLN 27 2HE2 GLN 27 0.234 -1.859 -7.241
179 H CYS 28 H CYS 28 1.452 -0.168 -4.625
180 HA CYS 28 HA CYS 28 0.603 -0.267 -1.745
181 HB2 CYS 28 2HB CYS 28 0.255 1.931 -3.812
182 HB3 CYS 28 1HB CYS 28 -0.182 2.031 -2.107
183 H ARG 29 H ARG 29 -1.839 0.234 -1.558
184 HA ARG 29 HA ARG 29 -3.434 -0.640 -3.904
185 HB2 ARG 29 2HB ARG 29 -2.814 -2.196 -1.447
186 HB3 ARG 29 1HB ARG 29 -4.491 -2.248 -1.992
187 HG2 ARG 29 2HG ARG 29 -3.615 -2.814 -4.303
188 HG3 ARG 29 1HG ARG 29 -2.022 -3.007 -3.571
189 HD2 ARG 29 2HD ARG 29 -2.565 -5.065 -2.790
190 HD3 ARG 29 1HD ARG 29 -4.060 -4.449 -2.060
191 HE ARG 29 HE ARG 29 -5.207 -5.206 -3.975
192 HH11 ARG 29 1HH2 ARG 29 -1.852 -4.696 -4.627
193 HH12 ARG 29 2HH2 ARG 29 -1.948 -5.277 -6.255
194 HH21 ARG 29 1HH1 ARG 29 -5.344 -5.963 -6.097
195 HH22 ARG 29 2HH1 ARG 29 -3.923 -5.993 -7.087
196 H ARG 30 H ARG 30 -5.569 0.146 -3.800
197 HA ARG 30 HA ARG 30 -6.111 2.130 -1.664
198 HB2 ARG 30 2HB ARG 30 -7.511 1.377 -4.252
199 HB3 ARG 30 1HB ARG 30 -7.962 2.742 -3.227
200 HG2 ARG 30 2HG ARG 30 -5.862 3.834 -3.606
201 HG3 ARG 30 1HG ARG 30 -5.180 2.397 -4.369
202 HD2 ARG 30 2HD ARG 30 -7.671 3.364 -5.633
203 HD3 ARG 30 1HD ARG 30 -6.291 4.473 -5.772
204 HE ARG 30 HE ARG 30 -5.254 1.921 -6.292
205 HH11 ARG 30 1HH2 ARG 30 -7.689 4.014 -7.565
206 HH12 ARG 30 2HH2 ARG 30 -7.533 3.422 -9.184
207 HH21 ARG 30 1HH1 ARG 30 -5.044 1.142 -8.400
208 HH22 ARG 30 2HH1 ARG 30 -6.037 1.798 -9.656
209 H THR 31 H THR 31 -8.758 2.134 -1.317
210 HA THR 31 HA THR 31 -9.281 -0.350 0.163
211 HB THR 31 HB THR 31 -11.526 1.175 0.374
212 HG1 THR 31 1HG THR 31 -11.037 3.270 0.067
213 HG21 THR 31 3HG2 THR 31 -10.651 1.901 2.437
214 HG22 THR 31 1HG2 THR 31 -9.006 1.999 1.805
215 HG23 THR 31 2HG2 THR 31 -9.745 0.424 2.100
216 H SER 32 H SER 32 -12.021 -0.650 -0.115
217 HA SER 32 HA SER 32 -12.439 -1.207 -3.030
218 HB2 SER 32 2HB SER 32 -13.492 -3.144 -1.046
219 HB3 SER 32 1HB SER 32 -12.723 -3.441 -2.603
220 HG SER 32 HG SER 32 -11.034 -3.897 -1.443
221 H GLY 33 H GLY 33 -14.183 -1.510 0.094
222 HA2 GLY 33 2HA GLY 33 -16.025 0.212 0.451
223 HA3 GLY 33 1HA GLY 33 -16.496 -0.135 -1.213
Start of MODEL 4
1 H1 ALA 1 1HT ALA 1 13.641 -8.092 2.004
2 H2 ALA 1 2HT ALA 1 12.441 -6.925 1.712
3 H3 ALA 1 3HT ALA 1 13.450 -6.788 3.071
4 HA ALA 1 HA ALA 1 15.380 -6.466 1.609
5 HB1 ALA 1 2HB ALA 1 13.469 -7.574 -0.184
6 HB2 ALA 1 3HB ALA 1 15.150 -7.160 -0.526
7 HB3 ALA 1 1HB ALA 1 13.878 -5.967 -0.791
8 H CYS 2 H CYS 2 12.514 -4.989 0.119
9 HA CYS 2 HA CYS 2 13.507 -2.304 0.503
10 HB2 CYS 2 2HB CYS 2 11.528 -1.713 -0.668
11 HB3 CYS 2 1HB CYS 2 11.913 -3.325 -1.266
12 H ASN 3 H ASN 3 12.131 -4.451 2.692
13 HA ASN 3 HA ASN 3 11.401 -4.119 4.921
14 HB2 ASN 3 2HB ASN 3 13.146 -2.152 4.441
15 HB3 ASN 3 1HB ASN 3 11.692 -1.161 4.577
16 HD21 ASN 3 1HD2 ASN 3 13.007 -0.411 6.614
17 HD22 ASN 3 2HD2 ASN 3 12.735 -1.282 8.045
18 H ASP 4 H ASP 4 9.205 -4.662 4.607
19 HA ASP 4 HA ASP 4 7.252 -3.101 3.254
20 HB2 ASP 4 2HB ASP 4 5.699 -4.490 4.730
21 HB3 ASP 4 1HB ASP 4 6.878 -5.412 3.798
22 H ARG 5 H ARG 5 8.805 -2.568 6.284
23 HA ARG 5 HA ARG 5 6.768 -1.217 7.753
24 HB2 ARG 5 2HB ARG 5 9.680 -1.545 7.728
25 HB3 ARG 5 1HB ARG 5 9.180 0.026 8.356
26 HG2 ARG 5 2HG ARG 5 7.605 -2.285 9.327
27 HG3 ARG 5 1HG ARG 5 9.281 -2.228 9.874
28 HD2 ARG 5 2HD ARG 5 8.390 0.415 10.140
29 HD3 ARG 5 1HD ARG 5 7.034 -0.578 10.715
30 HE ARG 5 HE ARG 5 9.609 -0.348 12.021
31 HH11 ARG 5 1HH2 ARG 5 7.018 -2.492 11.229
32 HH12 ARG 5 2HH2 ARG 5 7.295 -3.534 12.584
33 HH21 ARG 5 1HH1 ARG 5 9.979 -1.700 13.791
34 HH22 ARG 5 2HH1 ARG 5 8.970 -3.087 14.031
35 H ASP 6 H ASP 6 9.417 0.281 5.845
36 HA ASP 6 HA ASP 6 8.161 2.888 5.816
37 HB2 ASP 6 2HB ASP 6 9.996 3.298 4.128
38 HB3 ASP 6 1HB ASP 6 10.565 2.596 5.641
39 H CYS 7 H CYS 7 7.751 0.016 3.943
40 HA CYS 7 HA CYS 7 6.834 1.252 1.479
41 HB2 CYS 7 2HB CYS 7 7.741 -1.038 1.655
42 HB3 CYS 7 1HB CYS 7 6.400 -1.494 2.708
43 H SER 8 H SER 8 5.046 -0.533 4.034
44 HA SER 8 HA SER 8 2.434 0.177 3.167
45 HB2 SER 8 2HB SER 8 3.064 -0.109 6.075
46 HB3 SER 8 1HB SER 8 1.809 -0.897 5.121
47 HG SER 8 HG SER 8 3.523 -2.103 4.117
48 H LEU 9 H LEU 9 4.652 1.805 5.440
49 HA LEU 9 HA LEU 9 2.894 3.856 6.338
50 HB2 LEU 9 2HB LEU 9 5.760 3.228 6.255
51 HB3 LEU 9 1HB LEU 9 5.443 4.963 6.219
52 HG LEU 9 HG LEU 9 4.320 3.013 8.253
53 HD11 LEU 9 1HD1 LEU 9 5.841 4.985 9.518
54 HD12 LEU 9 2HD1 LEU 9 6.795 4.545 8.103
55 HD13 LEU 9 3HD1 LEU 9 6.317 3.306 9.263
56 HD21 LEU 9 3HD2 LEU 9 3.834 5.381 9.340
57 HD22 LEU 9 1HD2 LEU 9 2.714 4.696 8.162
58 HD23 LEU 9 2HD2 LEU 9 3.880 5.922 7.663
59 H ASP 10 H ASP 10 5.169 3.808 3.573
60 HA ASP 10 HA ASP 10 4.452 6.457 2.632
61 HB2 ASP 10 2HB ASP 10 6.469 4.668 2.221
62 HB3 ASP 10 1HB ASP 10 5.519 4.420 0.755
63 H CYS 11 H CYS 11 3.441 3.147 1.808
64 HA CYS 11 HA CYS 11 1.859 3.690 -0.475
65 HB2 CYS 11 2HB CYS 11 1.880 1.665 1.745
66 HB3 CYS 11 1HB CYS 11 0.568 1.630 0.567
67 H ILE 12 H ILE 12 0.977 3.780 2.987
68 HA ILE 12 HA ILE 12 -1.780 4.574 2.470
69 HB ILE 12 HB ILE 12 0.024 4.548 4.910
70 HG12 ILE 12 2HG1 ILE 12 -2.348 2.771 4.525
71 HG13 ILE 12 1HG1 ILE 12 -0.906 2.424 3.570
72 HG21 ILE 12 1HG2 ILE 12 -2.900 4.558 5.292
73 HG22 ILE 12 2HG2 ILE 12 -2.250 6.071 4.658
74 HG23 ILE 12 3HG2 ILE 12 -1.646 5.422 6.182
75 HD11 ILE 12 3HD1 ILE 12 -1.384 1.977 6.406
76 HD12 ILE 12 1HD1 ILE 12 0.069 2.939 6.139
77 HD13 ILE 12 2HD1 ILE 12 -0.092 1.355 5.381
78 H MET 13 H MET 13 1.277 6.223 2.913
79 HA MET 13 HA MET 13 0.127 8.834 3.537
80 HB2 MET 13 2HB MET 13 2.713 7.523 3.260
81 HB3 MET 13 1HB MET 13 2.726 9.123 2.514
82 HG2 MET 13 2HG MET 13 2.276 10.213 4.516
83 HG3 MET 13 1HG MET 13 1.478 8.806 5.221
84 HE1 MET 13 3HE MET 13 5.839 8.625 4.062
85 HE2 MET 13 1HE MET 13 5.301 10.279 4.393
86 HE3 MET 13 2HE MET 13 4.466 9.300 3.189
87 H LYS 14 H LYS 14 1.385 7.219 0.621
88 HA LYS 14 HA LYS 14 1.324 9.393 -1.186
89 HB2 LYS 14 2HB LYS 14 0.777 6.427 -1.495
90 HB3 LYS 14 1HB LYS 14 1.011 7.518 -2.862
91 HG2 LYS 14 2HG LYS 14 3.253 7.982 -2.257
92 HG3 LYS 14 1HG LYS 14 3.032 7.347 -0.627
93 HD2 LYS 14 2HD LYS 14 4.227 5.651 -1.792
94 HD3 LYS 14 1HD LYS 14 2.557 5.085 -1.742
95 HE2 LYS 14 2HE LYS 14 3.009 4.774 -4.005
96 HE3 LYS 14 1HE LYS 14 2.433 6.452 -4.052
97 HZ1 LYS 14 3HZ LYS 14 5.240 5.505 -3.889
98 HZ2 LYS 14 1HZ LYS 14 4.791 7.111 -3.580
99 HZ3 LYS 14 2HZ LYS 14 4.533 6.439 -5.118
100 H GLY 15 H GLY 15 -1.310 7.424 0.091
101 HA2 GLY 15 2HA GLY 15 -3.491 8.777 0.079
102 HA3 GLY 15 1HA GLY 15 -3.200 8.901 -1.651
103 H TYR 16 H TYR 16 -2.103 5.913 -0.638
104 HA TYR 16 HA TYR 16 -4.442 4.574 -1.839
105 HB2 TYR 16 2HB TYR 16 -1.802 3.542 -0.749
106 HB3 TYR 16 1HB TYR 16 -2.931 2.634 -1.751
107 HD1 TYR 16 1HD TYR 16 -3.789 4.725 -3.678
108 HD2 TYR 16 2HD TYR 16 0.106 3.781 -2.135
109 HE1 TYR 16 1HE TYR 16 -2.750 5.673 -5.721
110 HE2 TYR 16 2HE TYR 16 1.146 4.729 -4.177
111 HH TYR 16 HH TYR 16 -0.290 6.741 -6.204
112 H ASN 17 H ASN 17 -3.857 2.125 -0.207
113 HA ASN 17 HA ASN 17 -5.106 2.974 2.387
114 HB2 ASN 17 2HB ASN 17 -6.840 2.063 1.022
115 HB3 ASN 17 1HB ASN 17 -5.799 0.760 0.446
116 HD21 ASN 17 1HD2 ASN 17 -5.980 1.799 3.850
117 HD22 ASN 17 2HD2 ASN 17 -6.671 0.359 4.426
118 H THR 18 H THR 18 -3.111 0.598 0.660
119 HA THR 18 HA THR 18 -1.377 0.176 2.928
120 HB THR 18 HB THR 18 -3.291 -0.961 3.858
121 HG1 THR 18 1HG THR 18 -1.362 -2.088 4.108
122 HG21 THR 18 3HG2 THR 18 -4.497 -1.208 1.684
123 HG22 THR 18 1HG2 THR 18 -4.517 -2.683 2.651
124 HG23 THR 18 2HG2 THR 18 -3.418 -2.544 1.277
125 H GLY 19 H GLY 19 0.390 -1.234 2.363
126 HA2 GLY 19 2HA GLY 19 0.312 -2.651 -0.215
127 HA3 GLY 19 1HA GLY 19 1.413 -1.273 -0.152
128 H SER 20 H SER 20 2.998 -3.132 -0.558
129 HA SER 20 HA SER 20 4.311 -3.800 1.969
130 HB2 SER 20 2HB SER 20 2.915 -5.890 0.275
131 HB3 SER 20 1HB SER 20 4.116 -6.289 1.499
132 HG SER 20 HG SER 20 1.710 -6.169 2.036
133 H CYS 21 H CYS 21 6.046 -5.745 1.168
134 HA CYS 21 HA CYS 21 7.658 -4.363 -0.870
135 HB2 CYS 21 2HB CYS 21 8.251 -5.617 1.416
136 HB3 CYS 21 1HB CYS 21 8.384 -7.004 0.333
137 H VAL 22 H VAL 22 8.013 -5.112 -2.956
138 HA VAL 22 HA VAL 22 6.803 -7.749 -3.711
139 HB VAL 22 HB VAL 22 6.615 -5.057 -5.101
140 HG11 VAL 22 1HG1 VAL 22 6.000 -6.105 -7.009
141 HG12 VAL 22 2HG1 VAL 22 4.986 -7.256 -6.140
142 HG13 VAL 22 3HG1 VAL 22 6.717 -7.556 -6.308
143 HG21 VAL 22 3HG2 VAL 22 4.117 -5.613 -4.781
144 HG22 VAL 22 1HG2 VAL 22 5.018 -5.134 -3.342
145 HG23 VAL 22 2HG2 VAL 22 4.661 -6.837 -3.633
146 H ARG 23 H ARG 23 8.515 -8.986 -4.394
147 HA ARG 23 HA ARG 23 10.468 -9.606 -5.574
148 HB2 ARG 23 2HB ARG 23 9.063 -7.521 -7.060
149 HB3 ARG 23 1HB ARG 23 10.795 -7.508 -7.392
150 HG2 ARG 23 2HG ARG 23 9.848 -9.037 -8.965
151 HG3 ARG 23 1HG ARG 23 10.613 -10.035 -7.728
152 HD2 ARG 23 2HD ARG 23 8.034 -9.602 -6.735
153 HD3 ARG 23 1HD ARG 23 7.797 -9.890 -8.471
154 HE ARG 23 HE ARG 23 9.692 -11.783 -7.662
155 HH11 ARG 23 1HH2 ARG 23 6.461 -10.879 -6.844
156 HH12 ARG 23 2HH2 ARG 23 5.994 -12.481 -6.380
157 HH21 ARG 23 1HH1 ARG 23 9.093 -13.875 -7.059
158 HH22 ARG 23 2HH1 ARG 23 7.483 -14.173 -6.501
159 H GLY 24 H GLY 24 10.884 -6.119 -5.997
160 HA2 GLY 24 2HA GLY 24 12.904 -6.025 -3.840
161 HA3 GLY 24 1HA GLY 24 13.490 -5.735 -5.478
162 H SER 25 H SER 25 10.284 -4.738 -4.457
163 HA SER 25 HA SER 25 11.205 -1.917 -4.162
164 HB2 SER 25 2HB SER 25 8.901 -2.589 -5.973
165 HB3 SER 25 1HB SER 25 9.947 -1.173 -5.992
166 HG SER 25 HG SER 25 11.385 -2.248 -7.125
167 H CYS 26 H CYS 26 8.369 -1.051 -4.466
168 HA CYS 26 HA CYS 26 7.016 -2.405 -2.189
169 HB2 CYS 26 2HB CYS 26 8.303 -0.760 -1.056
170 HB3 CYS 26 1HB CYS 26 8.036 0.438 -2.321
171 H GLN 27 H GLN 27 4.925 -2.691 -2.843
172 HA GLN 27 HA GLN 27 3.767 -0.749 -4.811
173 HB2 GLN 27 2HB GLN 27 3.412 -3.693 -4.243
174 HB3 GLN 27 1HB GLN 27 2.211 -2.800 -5.176
175 HG2 GLN 27 2HG GLN 27 5.083 -2.485 -5.937
176 HG3 GLN 27 1HG GLN 27 4.274 -3.991 -6.371
177 HE21 GLN 27 1HE2 GLN 27 4.962 -1.014 -7.634
178 HE22 GLN 27 2HE2 GLN 27 3.633 -0.825 -8.674
179 H CYS 28 H CYS 28 1.493 -0.174 -4.482
180 HA CYS 28 HA CYS 28 0.560 -0.543 -1.652
181 HB2 CYS 28 2HB CYS 28 0.133 1.879 -3.423
182 HB3 CYS 28 1HB CYS 28 -0.123 1.763 -1.682
183 H ARG 29 H ARG 29 -1.808 -0.499 -1.417
184 HA ARG 29 HA ARG 29 -3.277 -1.110 -3.961
185 HB2 ARG 29 2HB ARG 29 -3.521 -2.418 -1.231
186 HB3 ARG 29 1HB ARG 29 -4.455 -2.852 -2.663
187 HG2 ARG 29 2HG ARG 29 -2.161 -3.214 -3.807
188 HG3 ARG 29 1HG ARG 29 -1.502 -3.217 -2.171
189 HD2 ARG 29 2HD ARG 29 -3.860 -4.901 -2.293
190 HD3 ARG 29 1HD ARG 29 -2.665 -5.411 -3.501
191 HE ARG 29 HE ARG 29 -1.103 -4.939 -1.297
192 HH11 ARG 29 1HH2 ARG 29 -4.012 -6.716 -1.852
193 HH12 ARG 29 2HH2 ARG 29 -3.685 -7.886 -0.619
194 HH21 ARG 29 1HH1 ARG 29 -0.667 -6.460 0.312
195 HH22 ARG 29 2HH1 ARG 29 -1.794 -7.742 0.603
196 H ARG 30 H ARG 30 -5.157 0.056 -4.193
197 HA ARG 30 HA ARG 30 -5.944 1.914 -2.027
198 HB2 ARG 30 2HB ARG 30 -7.111 1.546 -4.801
199 HB3 ARG 30 1HB ARG 30 -7.174 2.992 -3.792
200 HG2 ARG 30 2HG ARG 30 -5.228 3.703 -4.664
201 HG3 ARG 30 1HG ARG 30 -4.431 2.234 -4.100
202 HD2 ARG 30 2HD ARG 30 -4.668 1.154 -6.147
203 HD3 ARG 30 1HD ARG 30 -6.116 2.084 -6.583
204 HE ARG 30 HE ARG 30 -3.364 2.928 -7.035
205 HH11 ARG 30 1HH2 ARG 30 -6.600 3.924 -6.353
206 HH12 ARG 30 2HH2 ARG 30 -6.399 5.497 -7.047
207 HH21 ARG 30 1HH1 ARG 30 -3.092 4.975 -7.944
208 HH22 ARG 30 2HH1 ARG 30 -4.415 6.091 -7.947
209 H THR 31 H THR 31 -8.553 2.181 -2.055
210 HA THR 31 HA THR 31 -9.684 -0.568 -1.635
211 HB THR 31 HB THR 31 -10.928 0.428 0.212
212 HG1 THR 31 1HG THR 31 -11.227 2.472 -0.778
213 HG21 THR 31 3HG2 THR 31 -8.001 0.633 0.014
214 HG22 THR 31 1HG2 THR 31 -8.997 -0.093 1.276
215 HG23 THR 31 2HG2 THR 31 -8.704 1.647 1.276
216 H SER 32 H SER 32 -11.061 -0.942 -3.348
217 HA SER 32 HA SER 32 -12.608 1.321 -4.506
218 HB2 SER 32 2HB SER 32 -11.408 -1.140 -5.399
219 HB3 SER 32 1HB SER 32 -13.126 -1.167 -5.784
220 HG SER 32 HG SER 32 -12.780 0.984 -6.667
221 H GLY 33 H GLY 33 -14.726 1.606 -3.930
222 HA2 GLY 33 2HA GLY 33 -16.181 -0.736 -2.765
223 HA3 GLY 33 1HA GLY 33 -16.358 0.893 -2.111
Start of MODEL 5
1 H1 ALA 1 1HT ALA 1 17.322 -3.259 -0.622
2 H2 ALA 1 2HT ALA 1 18.158 -3.582 0.821
3 H3 ALA 1 3HT ALA 1 16.989 -2.350 0.771
4 HA ALA 1 HA ALA 1 16.085 -5.032 0.042
5 HB1 ALA 1 2HB ALA 1 16.778 -4.156 2.865
6 HB2 ALA 1 3HB ALA 1 17.684 -5.341 1.925
7 HB3 ALA 1 1HB ALA 1 16.025 -5.685 2.414
8 H CYS 2 H CYS 2 13.862 -4.914 -0.009
9 HA CYS 2 HA CYS 2 12.521 -2.392 0.511
10 HB2 CYS 2 2HB CYS 2 10.630 -3.565 -0.391
11 HB3 CYS 2 1HB CYS 2 12.037 -4.185 -1.248
12 H ASN 3 H ASN 3 10.113 -3.176 1.695
13 HA ASN 3 HA ASN 3 10.321 -4.718 4.087
14 HB2 ASN 3 2HB ASN 3 11.839 -2.361 4.109
15 HB3 ASN 3 1HB ASN 3 10.403 -1.973 5.056
16 HD21 ASN 3 1HD2 ASN 3 12.631 -4.805 4.708
17 HD22 ASN 3 2HD2 ASN 3 12.747 -5.097 6.376
18 H ASP 4 H ASP 4 8.265 -4.896 4.961
19 HA ASP 4 HA ASP 4 6.039 -3.586 3.653
20 HB2 ASP 4 2HB ASP 4 6.572 -5.786 5.363
21 HB3 ASP 4 1HB ASP 4 5.392 -4.779 6.200
22 H ARG 5 H ARG 5 8.015 -2.790 6.400
23 HA ARG 5 HA ARG 5 6.099 -1.138 7.814
24 HB2 ARG 5 2HB ARG 5 8.323 -2.244 8.559
25 HB3 ARG 5 1HB ARG 5 9.100 -0.835 7.832
26 HG2 ARG 5 2HG ARG 5 8.687 0.300 9.728
27 HG3 ARG 5 1HG ARG 5 6.966 0.178 9.370
28 HD2 ARG 5 2HD ARG 5 7.645 -2.344 10.398
29 HD3 ARG 5 1HD ARG 5 8.485 -1.179 11.441
30 HE ARG 5 HE ARG 5 5.980 -0.054 11.083
31 HH11 ARG 5 1HH2 ARG 5 7.199 -3.114 12.125
32 HH12 ARG 5 2HH2 ARG 5 5.871 -3.423 13.192
33 HH21 ARG 5 1HH1 ARG 5 4.244 -0.449 12.469
34 HH22 ARG 5 2HH1 ARG 5 4.199 -1.917 13.386
35 H ASP 6 H ASP 6 8.958 -0.224 5.843
36 HA ASP 6 HA ASP 6 8.187 2.557 5.671
37 HB2 ASP 6 2HB ASP 6 10.118 2.689 4.240
38 HB3 ASP 6 1HB ASP 6 10.490 1.485 5.473
39 H CYS 7 H CYS 7 7.363 -0.301 3.846
40 HA CYS 7 HA CYS 7 6.564 1.055 1.405
41 HB2 CYS 7 2HB CYS 7 7.217 -1.385 1.768
42 HB3 CYS 7 1HB CYS 7 5.627 -1.611 2.495
43 H SER 8 H SER 8 4.619 -0.506 3.997
44 HA SER 8 HA SER 8 2.087 0.452 3.146
45 HB2 SER 8 2HB SER 8 1.536 0.045 5.594
46 HB3 SER 8 1HB SER 8 2.337 -1.299 4.791
47 HG SER 8 HG SER 8 3.967 -1.049 6.088
48 H LEU 9 H LEU 9 4.360 1.856 5.540
49 HA LEU 9 HA LEU 9 2.899 4.135 6.297
50 HB2 LEU 9 2HB LEU 9 5.631 3.157 6.292
51 HB3 LEU 9 1HB LEU 9 5.597 4.900 6.024
52 HG LEU 9 HG LEU 9 3.724 4.024 8.102
53 HD11 LEU 9 1HD1 LEU 9 6.328 2.841 8.090
54 HD12 LEU 9 2HD1 LEU 9 5.088 2.735 9.341
55 HD13 LEU 9 3HD1 LEU 9 6.277 4.036 9.385
56 HD21 LEU 9 3HD2 LEU 9 5.642 6.200 7.506
57 HD22 LEU 9 1HD2 LEU 9 5.444 5.828 9.219
58 HD23 LEU 9 2HD2 LEU 9 4.044 6.282 8.248
59 H ASP 10 H ASP 10 5.234 3.861 3.587
60 HA ASP 10 HA ASP 10 4.733 6.490 2.525
61 HB2 ASP 10 2HB ASP 10 6.521 4.448 2.147
62 HB3 ASP 10 1HB ASP 10 5.538 4.312 0.687
63 H CYS 11 H CYS 11 3.473 3.257 1.652
64 HA CYS 11 HA CYS 11 1.853 3.981 -0.545
65 HB2 CYS 11 2HB CYS 11 1.737 1.900 1.631
66 HB3 CYS 11 1HB CYS 11 0.462 1.977 0.418
67 H ILE 12 H ILE 12 0.833 3.682 2.882
68 HA ILE 12 HA ILE 12 -1.785 4.745 2.563
69 HB ILE 12 HB ILE 12 0.213 4.666 4.839
70 HG12 ILE 12 2HG1 ILE 12 -2.341 3.150 4.850
71 HG13 ILE 12 1HG1 ILE 12 -1.149 2.645 3.651
72 HG21 ILE 12 1HG2 ILE 12 -2.501 5.892 4.681
73 HG22 ILE 12 2HG2 ILE 12 -1.124 6.335 5.689
74 HG23 ILE 12 3HG2 ILE 12 -2.125 4.951 6.126
75 HD11 ILE 12 3HD1 ILE 12 0.092 1.642 5.238
76 HD12 ILE 12 1HD1 ILE 12 -1.178 2.009 6.407
77 HD13 ILE 12 2HD1 ILE 12 0.160 3.135 6.174
78 H MET 13 H MET 13 1.342 6.303 2.719
79 HA MET 13 HA MET 13 0.304 8.974 3.315
80 HB2 MET 13 2HB MET 13 2.906 7.659 2.627
81 HB3 MET 13 1HB MET 13 2.788 9.411 2.452
82 HG2 MET 13 2HG MET 13 1.790 9.387 4.838
83 HG3 MET 13 1HG MET 13 2.437 7.750 4.946
84 HE1 MET 13 3HE MET 13 4.032 11.409 6.093
85 HE2 MET 13 1HE MET 13 4.185 9.992 7.141
86 HE3 MET 13 2HE MET 13 2.644 10.361 6.373
87 H LYS 14 H LYS 14 1.438 7.231 0.416
88 HA LYS 14 HA LYS 14 1.351 9.347 -1.460
89 HB2 LYS 14 2HB LYS 14 0.764 6.378 -1.644
90 HB3 LYS 14 1HB LYS 14 0.935 7.414 -3.061
91 HG2 LYS 14 2HG LYS 14 3.208 7.945 -2.510
92 HG3 LYS 14 1HG LYS 14 3.057 7.211 -0.913
93 HD2 LYS 14 2HD LYS 14 2.708 5.001 -1.962
94 HD3 LYS 14 1HD LYS 14 2.879 5.735 -3.556
95 HE2 LYS 14 2HE LYS 14 5.179 6.572 -2.754
96 HE3 LYS 14 1HE LYS 14 4.992 5.427 -1.410
97 HZ1 LYS 14 3HZ LYS 14 4.498 4.608 -4.207
98 HZ2 LYS 14 1HZ LYS 14 4.814 3.629 -2.858
99 HZ3 LYS 14 2HZ LYS 14 6.060 4.556 -3.544
100 H GLY 15 H GLY 15 -1.238 7.718 0.178
101 HA2 GLY 15 2HA GLY 15 -3.400 9.015 0.118
102 HA3 GLY 15 1HA GLY 15 -3.194 9.029 -1.629
103 H TYR 16 H TYR 16 -2.078 6.109 -0.446
104 HA TYR 16 HA TYR 16 -4.514 4.726 -1.408
105 HB2 TYR 16 2HB TYR 16 -1.767 3.730 -0.586
106 HB3 TYR 16 1HB TYR 16 -2.987 2.807 -1.460
107 HD1 TYR 16 2HD TYR 16 -4.017 4.346 -3.537
108 HD2 TYR 16 1HD TYR 16 -0.032 4.485 -1.938
109 HE1 TYR 16 2HE TYR 16 -3.189 5.279 -5.680
110 HE2 TYR 16 1HE TYR 16 0.795 5.419 -4.082
111 HH TYR 16 HH TYR 16 -0.960 5.339 -6.917
112 H ASN 17 H ASN 17 -3.980 2.316 0.124
113 HA ASN 17 HA ASN 17 -4.778 3.220 2.873
114 HB2 ASN 17 2HB ASN 17 -6.462 2.172 1.117
115 HB3 ASN 17 1HB ASN 17 -5.723 0.656 1.630
116 HD21 ASN 17 1HD2 ASN 17 -7.311 3.590 2.985
117 HD22 ASN 17 2HD2 ASN 17 -7.950 2.799 4.344
118 H THR 18 H THR 18 -2.928 0.985 0.902
119 HA THR 18 HA THR 18 -1.129 0.332 3.068
120 HB THR 18 HB THR 18 -3.183 -0.922 3.725
121 HG1 THR 18 1HG THR 18 -1.260 -2.755 2.787
122 HG21 THR 18 3HG2 THR 18 -2.728 -2.366 1.100
123 HG22 THR 18 1HG2 THR 18 -4.067 -1.271 1.447
124 HG23 THR 18 2HG2 THR 18 -3.929 -2.798 2.318
125 H GLY 19 H GLY 19 0.287 -1.665 2.309
126 HA2 GLY 19 2HA GLY 19 0.291 -2.258 -0.531
127 HA3 GLY 19 1HA GLY 19 1.551 -1.102 -0.100
128 H SER 20 H SER 20 2.844 -3.078 -0.936
129 HA SER 20 HA SER 20 3.883 -4.508 1.419
130 HB2 SER 20 2HB SER 20 2.490 -5.888 -0.894
131 HB3 SER 20 1HB SER 20 3.464 -6.732 0.308
132 HG SER 20 HG SER 20 2.022 -5.688 1.885
133 H CYS 21 H CYS 21 5.730 -6.044 0.602
134 HA CYS 21 HA CYS 21 7.411 -4.483 -1.232
135 HB2 CYS 21 2HB CYS 21 8.364 -5.421 0.785
136 HB3 CYS 21 1HB CYS 21 7.773 -7.030 0.372
137 H VAL 22 H VAL 22 8.233 -5.287 -3.238
138 HA VAL 22 HA VAL 22 6.997 -7.800 -4.285
139 HB VAL 22 HB VAL 22 6.985 -5.040 -5.545
140 HG11 VAL 22 1HG1 VAL 22 5.443 -6.483 -7.184
141 HG12 VAL 22 2HG1 VAL 22 6.511 -7.777 -6.639
142 HG13 VAL 22 3HG1 VAL 22 7.183 -6.352 -7.432
143 HG21 VAL 22 3HG2 VAL 22 4.891 -6.832 -4.319
144 HG22 VAL 22 1HG2 VAL 22 4.450 -5.607 -5.507
145 HG23 VAL 22 2HG2 VAL 22 5.210 -5.129 -3.990
146 H ARG 23 H ARG 23 8.596 -9.039 -5.180
147 HA ARG 23 HA ARG 23 10.765 -9.608 -5.966
148 HB2 ARG 23 2HB ARG 23 9.666 -7.335 -7.599
149 HB3 ARG 23 1HB ARG 23 11.280 -7.952 -7.961
150 HG2 ARG 23 2HG ARG 23 9.917 -10.289 -7.744
151 HG3 ARG 23 1HG ARG 23 8.635 -9.238 -8.343
152 HD2 ARG 23 2HD ARG 23 11.192 -8.850 -9.748
153 HD3 ARG 23 1HD ARG 23 10.507 -10.475 -9.949
154 HE ARG 23 HE ARG 23 8.507 -8.367 -10.194
155 HH11 ARG 23 1HH2 ARG 23 10.949 -10.223 -11.784
156 HH12 ARG 23 2HH2 ARG 23 10.257 -10.022 -13.359
157 HH21 ARG 23 1HH1 ARG 23 7.597 -8.100 -12.239
158 HH22 ARG 23 2HH1 ARG 23 8.361 -8.822 -13.617
159 H GLY 24 H GLY 24 10.706 -7.775 -3.636
160 HA2 GLY 24 2HA GLY 24 12.506 -6.818 -2.402
161 HA3 GLY 24 1HA GLY 24 13.459 -6.765 -3.886
162 H SER 25 H SER 25 10.190 -5.504 -3.763
163 HA SER 25 HA SER 25 11.293 -2.718 -3.757
164 HB2 SER 25 2HB SER 25 10.456 -4.092 -5.978
165 HB3 SER 25 1HB SER 25 8.967 -3.287 -5.493
166 HG SER 25 HG SER 25 10.370 -1.349 -5.328
167 H CYS 26 H CYS 26 8.563 -1.699 -4.312
168 HA CYS 26 HA CYS 26 6.995 -2.594 -1.953
169 HB2 CYS 26 2HB CYS 26 8.438 -0.980 -0.960
170 HB3 CYS 26 1HB CYS 26 8.316 0.097 -2.351
171 H GLN 27 H GLN 27 4.870 -2.613 -2.553
172 HA GLN 27 HA GLN 27 4.000 -0.776 -4.763
173 HB2 GLN 27 2HB GLN 27 3.471 -3.661 -4.095
174 HB3 GLN 27 1HB GLN 27 2.262 -2.751 -5.000
175 HG2 GLN 27 2HG GLN 27 5.174 -2.827 -5.812
176 HG3 GLN 27 1HG GLN 27 3.994 -3.995 -6.407
177 HE21 GLN 27 1HE2 GLN 27 2.921 -3.377 -8.288
178 HE22 GLN 27 2HE2 GLN 27 2.760 -1.777 -8.838
179 H CYS 28 H CYS 28 1.663 -0.145 -4.589
180 HA CYS 28 HA CYS 28 0.729 -0.120 -1.735
181 HB2 CYS 28 2HB CYS 28 0.505 1.994 -3.902
182 HB3 CYS 28 1HB CYS 28 -0.117 2.150 -2.259
183 H ARG 29 H ARG 29 -1.615 -0.074 -1.474
184 HA ARG 29 HA ARG 29 -3.275 -0.651 -3.866
185 HB2 ARG 29 2HB ARG 29 -2.743 -2.528 -1.547
186 HB3 ARG 29 1HB ARG 29 -4.111 -2.731 -2.640
187 HG2 ARG 29 2HG ARG 29 -2.195 -2.479 -4.484
188 HG3 ARG 29 1HG ARG 29 -1.195 -3.093 -3.167
189 HD2 ARG 29 2HD ARG 29 -3.796 -4.452 -3.895
190 HD3 ARG 29 1HD ARG 29 -2.280 -4.855 -4.724
191 HE ARG 29 HE ARG 29 -1.589 -4.892 -2.043
192 HH11 ARG 29 1HH2 ARG 29 -4.015 -6.380 -4.002
193 HH12 ARG 29 2HH2 ARG 29 -4.110 -7.806 -3.026
194 HH21 ARG 29 1HH1 ARG 29 -1.705 -6.748 -0.764
195 HH22 ARG 29 2HH1 ARG 29 -2.804 -8.015 -1.196
196 H ARG 30 H ARG 30 -5.362 0.131 -3.562
197 HA ARG 30 HA ARG 30 -5.942 1.504 -1.006
198 HB2 ARG 30 2HB ARG 30 -6.922 1.484 -3.826
199 HB3 ARG 30 1HB ARG 30 -8.062 2.001 -2.583
200 HG2 ARG 30 2HG ARG 30 -6.886 3.904 -2.102
201 HG3 ARG 30 1HG ARG 30 -5.325 3.138 -2.398
202 HD2 ARG 30 2HD ARG 30 -5.829 4.851 -4.131
203 HD3 ARG 30 1HD ARG 30 -5.760 3.226 -4.847
204 HE ARG 30 HE ARG 30 -8.094 3.347 -5.219
205 HH11 ARG 30 1HH2 ARG 30 -7.019 5.720 -2.951
206 HH12 ARG 30 2HH2 ARG 30 -8.555 6.514 -2.859
207 HH21 ARG 30 1HH1 ARG 30 -10.100 4.374 -5.106
208 HH22 ARG 30 2HH1 ARG 30 -10.297 5.754 -4.077
209 H THR 31 H THR 31 -8.713 1.310 -0.918
210 HA THR 31 HA THR 31 -9.122 -1.598 -0.303
211 HB THR 31 HB THR 31 -10.990 -0.139 1.127
212 HG1 THR 31 1HG THR 31 -9.719 1.569 2.010
213 HG21 THR 31 3HG2 THR 31 -8.363 -0.418 2.438
214 HG22 THR 31 1HG2 THR 31 -8.949 -1.883 1.650
215 HG23 THR 31 2HG2 THR 31 -9.926 -1.097 2.891
216 H SER 32 H SER 32 -11.470 -2.278 -0.471
217 HA SER 32 HA SER 32 -12.663 -1.146 -2.952
218 HB2 SER 32 2HB SER 32 -12.329 -3.725 -1.727
219 HB3 SER 32 1HB SER 32 -14.051 -3.428 -1.961
220 HG SER 32 HG SER 32 -12.584 -4.317 -3.766
221 H GLY 33 H GLY 33 -13.706 -2.162 0.327
222 HA2 GLY 33 2HA GLY 33 -15.818 -0.058 0.181
223 HA3 GLY 33 1HA GLY 33 -16.224 -1.684 0.731
Start of MODEL 6
1 H1 ALA 1 1HT ALA 1 16.551 -0.146 1.765
2 H2 ALA 1 2HT ALA 1 17.240 -0.186 0.212
3 H3 ALA 1 3HT ALA 1 18.010 -0.974 1.507
4 HA ALA 1 HA ALA 1 16.497 -2.271 -0.239
5 HB1 ALA 1 2HB ALA 1 16.353 -3.949 1.613
6 HB2 ALA 1 3HB ALA 1 16.790 -2.679 2.755
7 HB3 ALA 1 1HB ALA 1 17.939 -3.186 1.517
8 H CYS 2 H CYS 2 14.339 -3.296 -0.107
9 HA CYS 2 HA CYS 2 12.258 -1.380 0.656
10 HB2 CYS 2 2HB CYS 2 11.968 -2.563 -1.387
11 HB3 CYS 2 1HB CYS 2 12.385 -4.105 -0.644
12 H ASN 3 H ASN 3 10.368 -2.132 1.993
13 HA ASN 3 HA ASN 3 10.791 -4.358 3.860
14 HB2 ASN 3 2HB ASN 3 12.174 -2.211 4.513
15 HB3 ASN 3 1HB ASN 3 10.610 -1.605 5.060
16 HD21 ASN 3 1HD2 ASN 3 10.660 -1.857 7.313
17 HD22 ASN 3 2HD2 ASN 3 11.061 -3.301 8.109
18 H ASP 4 H ASP 4 8.771 -5.099 4.431
19 HA ASP 4 HA ASP 4 6.361 -4.004 3.433
20 HB2 ASP 4 2HB ASP 4 6.981 -6.326 4.427
21 HB3 ASP 4 1HB ASP 4 6.577 -5.604 5.985
22 H ARG 5 H ARG 5 8.208 -3.188 6.286
23 HA ARG 5 HA ARG 5 6.036 -1.805 7.670
24 HB2 ARG 5 2HB ARG 5 8.686 -2.711 8.155
25 HB3 ARG 5 1HB ARG 5 8.684 -0.970 8.437
26 HG2 ARG 5 2HG ARG 5 7.774 -1.402 10.455
27 HG3 ARG 5 1HG ARG 5 6.302 -1.865 9.599
28 HD2 ARG 5 2HD ARG 5 6.754 -4.139 9.777
29 HD3 ARG 5 1HD ARG 5 8.509 -3.888 9.847
30 HE ARG 5 HE ARG 5 7.335 -2.613 12.108
31 HH11 ARG 5 1HH2 ARG 5 7.892 -5.741 10.754
32 HH12 ARG 5 2HH2 ARG 5 7.973 -6.533 12.292
33 HH21 ARG 5 1HH1 ARG 5 7.440 -3.636 14.118
34 HH22 ARG 5 2HH1 ARG 5 7.717 -5.343 14.194
35 H ASP 6 H ASP 6 9.033 -0.672 6.049
36 HA ASP 6 HA ASP 6 8.230 2.110 6.068
37 HB2 ASP 6 2HB ASP 6 10.388 0.381 4.959
38 HB3 ASP 6 1HB ASP 6 10.149 1.939 4.168
39 H CYS 7 H CYS 7 7.845 -0.567 3.801
40 HA CYS 7 HA CYS 7 7.090 0.980 1.491
41 HB2 CYS 7 2HB CYS 7 7.810 -1.335 1.355
42 HB3 CYS 7 1HB CYS 7 6.507 -1.850 2.424
43 H SER 8 H SER 8 5.053 -0.857 3.817
44 HA SER 8 HA SER 8 2.537 0.047 2.860
45 HB2 SER 8 2HB SER 8 1.846 -0.556 5.234
46 HB3 SER 8 1HB SER 8 2.755 -1.806 4.389
47 HG SER 8 HG SER 8 3.672 0.047 6.330
48 H LEU 9 H LEU 9 4.624 1.395 5.440
49 HA LEU 9 HA LEU 9 3.035 3.525 6.327
50 HB2 LEU 9 2HB LEU 9 5.818 2.727 6.276
51 HB3 LEU 9 1HB LEU 9 5.685 4.475 6.080
52 HG LEU 9 HG LEU 9 3.953 3.233 8.155
53 HD11 LEU 9 1HD1 LEU 9 6.580 2.431 8.111
54 HD12 LEU 9 2HD1 LEU 9 5.598 2.555 9.571
55 HD13 LEU 9 3HD1 LEU 9 6.666 3.882 9.111
56 HD21 LEU 9 3HD2 LEU 9 5.688 5.721 8.026
57 HD22 LEU 9 1HD2 LEU 9 4.576 5.323 9.335
58 HD23 LEU 9 2HD2 LEU 9 3.954 5.658 7.720
59 H ASP 10 H ASP 10 5.310 3.531 3.562
60 HA ASP 10 HA ASP 10 4.683 6.201 2.684
61 HB2 ASP 10 2HB ASP 10 6.603 4.397 2.164
62 HB3 ASP 10 1HB ASP 10 5.554 4.062 0.785
63 H CYS 11 H CYS 11 3.459 2.980 1.789
64 HA CYS 11 HA CYS 11 1.805 3.665 -0.393
65 HB2 CYS 11 2HB CYS 11 1.595 1.639 1.849
66 HB3 CYS 11 1HB CYS 11 0.485 1.643 0.480
67 H ILE 12 H ILE 12 1.336 4.168 3.059
68 HA ILE 12 HA ILE 12 -1.492 4.943 2.746
69 HB ILE 12 HB ILE 12 0.518 4.879 5.012
70 HG12 ILE 12 2HG1 ILE 12 -2.063 3.347 4.824
71 HG13 ILE 12 1HG1 ILE 12 -0.646 2.783 3.941
72 HG21 ILE 12 1HG2 ILE 12 -2.144 5.136 5.984
73 HG22 ILE 12 2HG2 ILE 12 -1.889 6.428 4.811
74 HG23 ILE 12 3HG2 ILE 12 -0.804 6.265 6.190
75 HD11 ILE 12 3HD1 ILE 12 0.619 3.027 6.176
76 HD12 ILE 12 1HD1 ILE 12 -0.507 1.677 6.032
77 HD13 ILE 12 2HD1 ILE 12 -0.977 3.125 6.922
78 H MET 13 H MET 13 1.664 6.474 3.068
79 HA MET 13 HA MET 13 0.802 9.134 3.677
80 HB2 MET 13 2HB MET 13 3.192 7.676 2.840
81 HB3 MET 13 1HB MET 13 3.135 9.301 2.155
82 HG2 MET 13 2HG MET 13 3.255 10.324 4.218
83 HG3 MET 13 1HG MET 13 2.432 8.998 5.040
84 HE1 MET 13 3HE MET 13 5.951 10.546 5.461
85 HE2 MET 13 1HE MET 13 5.214 10.728 3.863
86 HE3 MET 13 2HE MET 13 6.696 9.794 4.051
87 H LYS 14 H LYS 14 1.779 7.735 0.515
88 HA LYS 14 HA LYS 14 1.243 9.848 -1.191
89 HB2 LYS 14 2HB LYS 14 0.811 6.869 -1.366
90 HB3 LYS 14 1HB LYS 14 0.461 7.907 -2.747
91 HG2 LYS 14 2HG LYS 14 2.759 8.789 -2.682
92 HG3 LYS 14 1HG LYS 14 3.116 7.764 -1.291
93 HD2 LYS 14 2HD LYS 14 2.387 5.792 -2.779
94 HD3 LYS 14 1HD LYS 14 2.520 6.920 -4.127
95 HE2 LYS 14 2HE LYS 14 4.831 7.074 -3.947
96 HE3 LYS 14 1HE LYS 14 4.818 6.732 -2.205
97 HZ1 LYS 14 3HZ LYS 14 4.087 4.783 -4.326
98 HZ2 LYS 14 1HZ LYS 14 4.152 4.473 -2.660
99 HZ3 LYS 14 2HZ LYS 14 5.580 4.814 -3.517
100 H GLY 15 H GLY 15 -1.211 7.313 -0.537
101 HA2 GLY 15 2HA GLY 15 -3.369 8.633 0.370
102 HA3 GLY 15 1HA GLY 15 -3.322 9.200 -1.296
103 H TYR 16 H TYR 16 -2.430 5.945 -0.210
104 HA TYR 16 HA TYR 16 -4.573 4.881 -1.992
105 HB2 TYR 16 2HB TYR 16 -1.959 3.808 -0.899
106 HB3 TYR 16 1HB TYR 16 -3.096 2.814 -1.802
107 HD1 TYR 16 2HD TYR 16 -1.190 6.025 -2.014
108 HD2 TYR 16 1HD TYR 16 -3.059 2.802 -4.150
109 HE1 TYR 16 2HE TYR 16 -0.279 6.908 -4.145
110 HE2 TYR 16 1HE TYR 16 -2.148 3.685 -6.281
111 HH TYR 16 HH TYR 16 -1.376 6.220 -7.037
112 H ASN 17 H ASN 17 -3.326 2.563 0.138
113 HA ASN 17 HA ASN 17 -5.150 3.032 2.378
114 HB2 ASN 17 2HB ASN 17 -6.462 2.202 0.288
115 HB3 ASN 17 1HB ASN 17 -5.702 0.645 0.616
116 HD21 ASN 17 1HD2 ASN 17 -6.565 -0.616 2.317
117 HD22 ASN 17 2HD2 ASN 17 -7.813 -0.091 3.343
118 H THR 18 H THR 18 -3.059 0.793 0.581
119 HA THR 18 HA THR 18 -1.515 0.098 2.916
120 HB THR 18 HB THR 18 -3.674 -1.038 3.419
121 HG1 THR 18 1HG THR 18 -1.416 -1.969 3.744
122 HG21 THR 18 3HG2 THR 18 -3.174 -2.926 1.149
123 HG22 THR 18 1HG2 THR 18 -4.000 -1.403 0.820
124 HG23 THR 18 2HG2 THR 18 -4.685 -2.545 1.976
125 H GLY 19 H GLY 19 0.102 -1.633 2.369
126 HA2 GLY 19 2HA GLY 19 0.258 -2.650 -0.344
127 HA3 GLY 19 1HA GLY 19 1.360 -1.296 -0.092
128 H SER 20 H SER 20 2.850 -3.280 -0.618
129 HA SER 20 HA SER 20 4.101 -4.087 1.907
130 HB2 SER 20 2HB SER 20 2.265 -5.819 0.367
131 HB3 SER 20 1HB SER 20 3.793 -6.577 0.806
132 HG SER 20 HG SER 20 2.470 -6.886 2.527
133 H CYS 21 H CYS 21 5.936 -5.811 1.241
134 HA CYS 21 HA CYS 21 7.429 -4.550 -0.972
135 HB2 CYS 21 2HB CYS 21 8.239 -5.229 1.402
136 HB3 CYS 21 1HB CYS 21 8.287 -6.871 0.757
137 H VAL 22 H VAL 22 7.369 -5.400 -3.015
138 HA VAL 22 HA VAL 22 6.732 -8.319 -3.312
139 HB VAL 22 HB VAL 22 6.048 -6.097 -5.250
140 HG11 VAL 22 1HG1 VAL 22 5.689 -8.990 -5.117
141 HG12 VAL 22 2HG1 VAL 22 5.478 -7.899 -6.487
142 HG13 VAL 22 3HG1 VAL 22 4.157 -8.145 -5.345
143 HG21 VAL 22 3HG2 VAL 22 4.337 -7.242 -3.018
144 HG22 VAL 22 1HG2 VAL 22 3.790 -6.102 -4.246
145 HG23 VAL 22 2HG2 VAL 22 5.000 -5.609 -3.064
146 H ARG 23 H ARG 23 8.185 -9.465 -4.558
147 HA ARG 23 HA ARG 23 10.216 -9.864 -5.717
148 HB2 ARG 23 2HB ARG 23 8.464 -7.977 -7.161
149 HB3 ARG 23 1HB ARG 23 10.139 -7.977 -7.718
150 HG2 ARG 23 2HG ARG 23 9.836 -10.607 -7.596
151 HG3 ARG 23 1HG ARG 23 8.128 -10.197 -7.760
152 HD2 ARG 23 2HD ARG 23 9.079 -8.623 -9.712
153 HD3 ARG 23 1HD ARG 23 10.347 -9.865 -9.732
154 HE ARG 23 HE ARG 23 7.800 -11.149 -9.549
155 HH11 ARG 23 1HH2 ARG 23 9.785 -9.326 -11.708
156 HH12 ARG 23 2HH2 ARG 23 9.127 -10.054 -13.133
157 HH21 ARG 23 1HH1 ARG 23 6.935 -12.107 -11.402
158 HH22 ARG 23 2HH1 ARG 23 7.517 -11.627 -12.961
159 H GLY 24 H GLY 24 10.806 -8.414 -3.449
160 HA2 GLY 24 2HA GLY 24 12.473 -7.028 -2.550
161 HA3 GLY 24 1HA GLY 24 13.236 -7.080 -4.141
162 H SER 25 H SER 25 10.008 -6.011 -4.256
163 HA SER 25 HA SER 25 10.938 -3.159 -4.393
164 HB2 SER 25 2HB SER 25 9.767 -4.886 -6.316
165 HB3 SER 25 1HB SER 25 8.525 -3.716 -5.878
166 HG SER 25 HG SER 25 10.371 -3.287 -7.558
167 H CYS 26 H CYS 26 8.393 -2.003 -4.613
168 HA CYS 26 HA CYS 26 6.835 -2.932 -2.251
169 HB2 CYS 26 2HB CYS 26 8.390 -1.461 -1.228
170 HB3 CYS 26 1HB CYS 26 8.346 -0.337 -2.584
171 H GLN 27 H GLN 27 4.717 -2.881 -2.871
172 HA GLN 27 HA GLN 27 3.876 -0.833 -4.900
173 HB2 GLN 27 2HB GLN 27 3.190 -3.736 -4.442
174 HB3 GLN 27 1HB GLN 27 2.109 -2.690 -5.365
175 HG2 GLN 27 2HG GLN 27 4.979 -2.546 -6.103
176 HG3 GLN 27 1HG GLN 27 4.163 -4.064 -6.485
177 HE21 GLN 27 1HE2 GLN 27 4.843 -1.079 -7.800
178 HE22 GLN 27 2HE2 GLN 27 3.543 -0.949 -8.883
179 H CYS 28 H CYS 28 1.807 0.149 -4.543
180 HA CYS 28 HA CYS 28 0.669 -0.291 -1.800
181 HB2 CYS 28 2HB CYS 28 0.764 2.252 -3.454
182 HB3 CYS 28 1HB CYS 28 0.255 2.110 -1.772
183 H ARG 29 H ARG 29 -1.582 -0.486 -1.683
184 HA ARG 29 HA ARG 29 -3.079 -0.326 -4.282
185 HB2 ARG 29 2HB ARG 29 -3.392 -2.226 -1.932
186 HB3 ARG 29 1HB ARG 29 -4.371 -2.250 -3.399
187 HG2 ARG 29 2HG ARG 29 -2.209 -2.536 -4.703
188 HG3 ARG 29 1HG ARG 29 -1.406 -2.799 -3.155
189 HD2 ARG 29 2HD ARG 29 -3.823 -4.412 -3.357
190 HD3 ARG 29 1HD ARG 29 -2.696 -4.760 -4.684
191 HE ARG 29 HE ARG 29 -1.272 -4.511 -2.188
192 HH11 ARG 29 1HH2 ARG 29 -3.329 -6.578 -4.041
193 HH12 ARG 29 2HH2 ARG 29 -2.719 -8.035 -3.331
194 HH21 ARG 29 1HH1 ARG 29 -0.468 -6.405 -1.259
195 HH22 ARG 29 2HH1 ARG 29 -1.101 -7.939 -1.759
196 H ARG 30 H ARG 30 -5.354 0.288 -4.057
197 HA ARG 30 HA ARG 30 -5.801 2.151 -1.787
198 HB2 ARG 30 2HB ARG 30 -6.900 1.685 -4.544
199 HB3 ARG 30 1HB ARG 30 -7.859 2.605 -3.384
200 HG2 ARG 30 2HG ARG 30 -6.337 4.347 -3.294
201 HG3 ARG 30 1HG ARG 30 -4.968 3.310 -3.698
202 HD2 ARG 30 2HD ARG 30 -5.850 3.109 -6.031
203 HD3 ARG 30 1HD ARG 30 -7.133 4.260 -5.609
204 HE ARG 30 HE ARG 30 -4.802 5.516 -4.775
205 HH11 ARG 30 1HH2 ARG 30 -5.975 4.118 -7.708
206 HH12 ARG 30 2HH2 ARG 30 -5.077 5.188 -8.729
207 HH21 ARG 30 1HH1 ARG 30 -3.626 6.916 -6.098
208 HH22 ARG 30 2HH1 ARG 30 -3.749 6.771 -7.819
209 H THR 31 H THR 31 -8.535 2.160 -1.586
210 HA THR 31 HA THR 31 -9.064 -0.373 -0.173
211 HB THR 31 HB THR 31 -11.168 1.688 -0.435
212 HG1 THR 31 1HG THR 31 -8.941 2.403 1.089
213 HG21 THR 31 3HG2 THR 31 -11.543 0.218 1.321
214 HG22 THR 31 1HG2 THR 31 -10.709 1.523 2.164
215 HG23 THR 31 2HG2 THR 31 -9.827 0.070 1.697
216 H SER 32 H SER 32 -9.772 -2.053 -1.453
217 HA SER 32 HA SER 32 -11.986 -1.476 -3.388
218 HB2 SER 32 2HB SER 32 -9.348 -2.862 -3.742
219 HB3 SER 32 1HB SER 32 -10.728 -3.410 -4.692
220 HG SER 32 HG SER 32 -10.342 -1.757 -5.918
221 H GLY 33 H GLY 33 -13.718 -2.562 -2.511
222 HA2 GLY 33 2HA GLY 33 -14.706 -4.856 -2.352
223 HA3 GLY 33 1HA GLY 33 -13.232 -5.341 -1.514
Start of MODEL 7
1 H1 ALA 1 1HT ALA 1 16.704 -3.131 1.819
2 H2 ALA 1 2HT ALA 1 17.881 -3.230 0.597
3 H3 ALA 1 3HT ALA 1 16.306 -3.797 0.310
4 HA ALA 1 HA ALA 1 17.092 -0.963 0.755
5 HB1 ALA 1 2HB ALA 1 17.769 -1.631 -1.405
6 HB2 ALA 1 3HB ALA 1 16.160 -0.964 -1.678
7 HB3 ALA 1 1HB ALA 1 16.387 -2.711 -1.596
8 H CYS 2 H CYS 2 14.470 -3.228 -0.104
9 HA CYS 2 HA CYS 2 12.451 -1.154 0.567
10 HB2 CYS 2 2HB CYS 2 12.076 -2.337 -1.475
11 HB3 CYS 2 1HB CYS 2 12.425 -3.893 -0.722
12 H ASN 3 H ASN 3 10.641 -1.787 2.020
13 HA ASN 3 HA ASN 3 11.220 -3.992 3.930
14 HB2 ASN 3 2HB ASN 3 11.859 -1.244 4.332
15 HB3 ASN 3 1HB ASN 3 10.499 -1.623 5.388
16 HD21 ASN 3 1HD2 ASN 3 11.205 -4.454 5.760
17 HD22 ASN 3 2HD2 ASN 3 12.598 -4.489 6.728
18 H ASP 4 H ASP 4 9.305 -4.971 4.508
19 HA ASP 4 HA ASP 4 6.799 -4.299 3.377
20 HB2 ASP 4 2HB ASP 4 5.957 -5.915 5.053
21 HB3 ASP 4 1HB ASP 4 7.462 -6.486 4.334
22 H ARG 5 H ARG 5 8.258 -3.339 6.468
23 HA ARG 5 HA ARG 5 5.880 -2.043 7.513
24 HB2 ARG 5 2HB ARG 5 8.681 -2.530 8.208
25 HB3 ARG 5 1HB ARG 5 8.135 -0.933 8.721
26 HG2 ARG 5 2HG ARG 5 6.052 -2.799 9.300
27 HG3 ARG 5 1HG ARG 5 7.564 -3.460 9.926
28 HD2 ARG 5 2HD ARG 5 7.079 -0.557 10.419
29 HD3 ARG 5 1HD ARG 5 6.101 -1.707 11.350
30 HE ARG 5 HE ARG 5 8.967 -1.315 11.636
31 HH11 ARG 5 1HH2 ARG 5 6.363 -3.582 11.760
32 HH12 ARG 5 2HH2 ARG 5 7.173 -4.644 12.863
33 HH21 ARG 5 1HH1 ARG 5 10.029 -2.694 13.073
34 HH22 ARG 5 2HH1 ARG 5 9.244 -4.143 13.605
35 H ASP 6 H ASP 6 8.880 -0.826 5.975
36 HA ASP 6 HA ASP 6 8.037 1.942 5.970
37 HB2 ASP 6 2HB ASP 6 10.133 0.296 4.537
38 HB3 ASP 6 1HB ASP 6 9.971 2.032 4.270
39 H CYS 7 H CYS 7 7.469 -0.786 3.859
40 HA CYS 7 HA CYS 7 6.787 0.686 1.468
41 HB2 CYS 7 2HB CYS 7 7.407 -1.709 1.562
42 HB3 CYS 7 1HB CYS 7 5.947 -2.048 2.491
43 H SER 8 H SER 8 4.706 -0.937 3.905
44 HA SER 8 HA SER 8 2.218 0.048 2.941
45 HB2 SER 8 2HB SER 8 2.535 -0.237 5.864
46 HB3 SER 8 1HB SER 8 1.452 -1.090 4.767
47 HG SER 8 HG SER 8 2.928 -2.591 4.467
48 H LEU 9 H LEU 9 4.417 1.392 5.428
49 HA LEU 9 HA LEU 9 2.887 3.631 6.219
50 HB2 LEU 9 2HB LEU 9 5.639 2.674 6.290
51 HB3 LEU 9 1HB LEU 9 5.575 4.431 6.151
52 HG LEU 9 HG LEU 9 3.702 3.174 8.092
53 HD11 LEU 9 1HD1 LEU 9 5.403 1.972 9.025
54 HD12 LEU 9 2HD1 LEU 9 5.887 3.537 9.678
55 HD13 LEU 9 3HD1 LEU 9 6.649 2.918 8.215
56 HD21 LEU 9 3HD2 LEU 9 4.901 5.254 9.338
57 HD22 LEU 9 1HD2 LEU 9 3.532 5.459 8.244
58 HD23 LEU 9 2HD2 LEU 9 5.176 5.721 7.661
59 H ASP 10 H ASP 10 5.311 3.411 3.588
60 HA ASP 10 HA ASP 10 4.894 6.100 2.626
61 HB2 ASP 10 2HB ASP 10 6.707 4.096 2.265
62 HB3 ASP 10 1HB ASP 10 5.790 3.973 0.762
63 H CYS 11 H CYS 11 3.363 2.992 1.963
64 HA CYS 11 HA CYS 11 1.981 3.754 -0.449
65 HB2 CYS 11 2HB CYS 11 1.708 1.647 1.689
66 HB3 CYS 11 1HB CYS 11 0.501 1.771 0.410
67 H ILE 12 H ILE 12 0.935 3.625 2.978
68 HA ILE 12 HA ILE 12 -1.689 4.726 2.479
69 HB ILE 12 HB ILE 12 0.058 4.612 4.960
70 HG12 ILE 12 2HG1 ILE 12 -2.196 2.758 4.725
71 HG13 ILE 12 1HG1 ILE 12 -1.001 2.531 3.446
72 HG21 ILE 12 1HG2 ILE 12 -2.928 5.028 4.624
73 HG22 ILE 12 2HG2 ILE 12 -1.772 6.213 5.232
74 HG23 ILE 12 3HG2 ILE 12 -2.118 4.759 6.167
75 HD11 ILE 12 3HD1 ILE 12 0.111 1.293 4.994
76 HD12 ILE 12 1HD1 ILE 12 -0.779 2.007 6.340
77 HD13 ILE 12 2HD1 ILE 12 0.604 2.855 5.647
78 H MET 13 H MET 13 1.482 6.120 2.916
79 HA MET 13 HA MET 13 0.588 8.783 3.676
80 HB2 MET 13 2HB MET 13 3.088 7.354 2.932
81 HB3 MET 13 1HB MET 13 3.092 9.101 2.689
82 HG2 MET 13 2HG MET 13 1.927 8.876 5.171
83 HG3 MET 13 1HG MET 13 3.097 7.557 5.196
84 HE1 MET 13 3HE MET 13 5.247 9.698 7.140
85 HE2 MET 13 1HE MET 13 5.675 8.261 6.202
86 HE3 MET 13 2HE MET 13 4.105 8.365 6.993
87 H LYS 14 H LYS 14 1.890 7.402 0.630
88 HA LYS 14 HA LYS 14 1.751 9.600 -1.058
89 HB2 LYS 14 2HB LYS 14 0.990 6.700 -1.512
90 HB3 LYS 14 1HB LYS 14 1.265 7.853 -2.817
91 HG2 LYS 14 2HG LYS 14 3.553 8.116 -2.258
92 HG3 LYS 14 1HG LYS 14 3.332 7.385 -0.668
93 HD2 LYS 14 2HD LYS 14 3.565 5.284 -1.480
94 HD3 LYS 14 1HD LYS 14 2.525 5.619 -2.866
95 HE2 LYS 14 2HE LYS 14 4.702 5.195 -3.785
96 HE3 LYS 14 1HE LYS 14 4.523 6.961 -3.815
97 HZ1 LYS 14 3HZ LYS 14 5.571 7.028 -1.606
98 HZ2 LYS 14 1HZ LYS 14 6.614 6.401 -2.788
99 HZ3 LYS 14 2HZ LYS 14 5.845 5.354 -1.692
100 H GLY 15 H GLY 15 -0.944 7.320 -0.430
101 HA2 GLY 15 2HA GLY 15 -3.068 8.891 0.012
102 HA3 GLY 15 1HA GLY 15 -2.817 9.187 -1.704
103 H TYR 16 H TYR 16 -2.237 6.068 -0.140
104 HA TYR 16 HA TYR 16 -4.465 4.939 -1.785
105 HB2 TYR 16 2HB TYR 16 -1.834 3.789 -0.792
106 HB3 TYR 16 1HB TYR 16 -3.023 2.900 -1.735
107 HD1 TYR 16 1HD TYR 16 -1.069 6.094 -1.826
108 HD2 TYR 16 2HD TYR 16 -2.872 2.904 -4.065
109 HE1 TYR 16 1HE TYR 16 -0.114 7.024 -3.917
110 HE2 TYR 16 2HE TYR 16 -1.919 3.833 -6.158
111 HH TYR 16 HH TYR 16 0.531 6.027 -6.243
112 H ASN 17 H ASN 17 -3.812 2.374 -0.183
113 HA ASN 17 HA ASN 17 -5.170 3.127 2.380
114 HB2 ASN 17 2HB ASN 17 -6.771 2.238 0.731
115 HB3 ASN 17 1HB ASN 17 -5.758 0.812 0.505
116 HD21 ASN 17 1HD2 ASN 17 -8.055 2.362 2.678
117 HD22 ASN 17 2HD2 ASN 17 -8.193 1.060 3.758
118 H THR 18 H THR 18 -3.110 0.843 0.621
119 HA THR 18 HA THR 18 -1.432 0.329 2.909
120 HB THR 18 HB THR 18 -3.498 -0.844 3.612
121 HG1 THR 18 1HG THR 18 -1.435 -1.736 4.109
122 HG21 THR 18 3HG2 THR 18 -3.725 -3.060 2.031
123 HG22 THR 18 1HG2 THR 18 -3.313 -1.829 0.838
124 HG23 THR 18 2HG2 THR 18 -4.730 -1.620 1.868
125 H GLY 19 H GLY 19 0.076 -1.610 2.381
126 HA2 GLY 19 2HA GLY 19 0.159 -2.573 -0.351
127 HA3 GLY 19 1HA GLY 19 1.342 -1.293 -0.078
128 H SER 20 H SER 20 2.818 -3.208 -0.603
129 HA SER 20 HA SER 20 3.929 -4.239 1.902
130 HB2 SER 20 2HB SER 20 2.446 -5.983 -0.076
131 HB3 SER 20 1HB SER 20 3.625 -6.647 1.051
132 HG SER 20 HG SER 20 1.400 -6.627 1.803
133 H CYS 21 H CYS 21 5.988 -5.404 1.478
134 HA CYS 21 HA CYS 21 7.388 -4.305 -0.851
135 HB2 CYS 21 2HB CYS 21 8.259 -4.538 1.522
136 HB3 CYS 21 1HB CYS 21 8.330 -6.279 1.246
137 H VAL 22 H VAL 22 7.151 -5.342 -2.805
138 HA VAL 22 HA VAL 22 7.117 -8.345 -2.795
139 HB VAL 22 HB VAL 22 5.866 -6.443 -4.797
140 HG11 VAL 22 1HG1 VAL 22 4.631 -9.030 -4.558
141 HG12 VAL 22 2HG1 VAL 22 6.366 -9.237 -4.807
142 HG13 VAL 22 3HG1 VAL 22 5.413 -8.310 -5.967
143 HG21 VAL 22 3HG2 VAL 22 3.735 -7.425 -3.551
144 HG22 VAL 22 1HG2 VAL 22 4.562 -5.998 -2.928
145 HG23 VAL 22 2HG2 VAL 22 4.871 -7.580 -2.210
146 H ARG 23 H ARG 23 8.459 -9.369 -4.324
147 HA ARG 23 HA ARG 23 10.424 -9.552 -5.637
148 HB2 ARG 23 2HB ARG 23 8.395 -7.834 -6.863
149 HB3 ARG 23 1HB ARG 23 10.012 -7.511 -7.487
150 HG2 ARG 23 2HG ARG 23 10.041 -9.451 -8.636
151 HG3 ARG 23 1HG ARG 23 9.535 -10.369 -7.217
152 HD2 ARG 23 2HD ARG 23 7.290 -10.251 -7.771
153 HD3 ARG 23 1HD ARG 23 7.470 -8.686 -8.589
154 HE ARG 23 HE ARG 23 9.015 -10.457 -10.093
155 HH11 ARG 23 1HH2 ARG 23 5.735 -10.217 -9.035
156 HH12 ARG 23 2HH2 ARG 23 5.097 -11.049 -10.411
157 HH21 ARG 23 1HH1 ARG 23 8.192 -11.544 -11.891
158 HH22 ARG 23 2HH1 ARG 23 6.484 -11.800 -12.027
159 H GLY 24 H GLY 24 11.013 -8.117 -3.324
160 HA2 GLY 24 2HA GLY 24 12.588 -6.610 -2.460
161 HA3 GLY 24 1HA GLY 24 13.336 -6.648 -4.056
162 H SER 25 H SER 25 10.048 -5.721 -4.090
163 HA SER 25 HA SER 25 10.849 -2.832 -4.270
164 HB2 SER 25 2HB SER 25 9.633 -4.663 -6.145
165 HB3 SER 25 1HB SER 25 8.521 -3.341 -5.805
166 HG SER 25 HG SER 25 10.966 -3.345 -7.089
167 H CYS 26 H CYS 26 8.251 -1.805 -4.517
168 HA CYS 26 HA CYS 26 6.713 -2.819 -2.180
169 HB2 CYS 26 2HB CYS 26 8.234 -1.265 -1.177
170 HB3 CYS 26 1HB CYS 26 8.018 -0.105 -2.487
171 H GLN 27 H GLN 27 4.569 -2.781 -2.730
172 HA GLN 27 HA GLN 27 3.693 -0.845 -4.852
173 HB2 GLN 27 2HB GLN 27 2.736 -3.645 -4.173
174 HB3 GLN 27 1HB GLN 27 2.072 -2.635 -5.456
175 HG2 GLN 27 2HG GLN 27 4.335 -2.542 -6.503
176 HG3 GLN 27 1HG GLN 27 4.922 -3.653 -5.264
177 HE21 GLN 27 1HE2 GLN 27 2.265 -5.123 -5.255
178 HE22 GLN 27 2HE2 GLN 27 2.285 -6.068 -6.665
179 H CYS 28 H CYS 28 1.537 0.034 -4.578
180 HA CYS 28 HA CYS 28 0.451 -0.211 -1.790
181 HB2 CYS 28 2HB CYS 28 0.435 2.227 -3.593
182 HB3 CYS 28 1HB CYS 28 0.025 2.169 -1.879
183 H ARG 29 H ARG 29 -1.792 -0.469 -1.653
184 HA ARG 29 HA ARG 29 -3.306 -0.465 -4.247
185 HB2 ARG 29 2HB ARG 29 -3.795 -2.254 -1.854
186 HB3 ARG 29 1HB ARG 29 -4.392 -2.463 -3.500
187 HG2 ARG 29 2HG ARG 29 -1.693 -2.370 -3.928
188 HG3 ARG 29 1HG ARG 29 -1.762 -3.156 -2.350
189 HD2 ARG 29 2HD ARG 29 -3.735 -4.522 -3.618
190 HD3 ARG 29 1HD ARG 29 -2.672 -4.163 -4.994
191 HE ARG 29 HE ARG 29 -0.991 -4.976 -2.882
192 HH11 ARG 29 1HH2 ARG 29 -3.568 -6.233 -4.807
193 HH12 ARG 29 2HH2 ARG 29 -3.009 -7.870 -4.714
194 HH21 ARG 29 1HH1 ARG 29 -0.254 -7.106 -2.755
195 HH22 ARG 29 2HH1 ARG 29 -1.137 -8.363 -3.554
196 H ARG 30 H ARG 30 -5.399 0.426 -4.167
197 HA ARG 30 HA ARG 30 -6.038 1.983 -1.703
198 HB2 ARG 30 2HB ARG 30 -7.085 2.090 -4.554
199 HB3 ARG 30 1HB ARG 30 -7.484 3.240 -3.276
200 HG2 ARG 30 2HG ARG 30 -4.963 3.640 -3.057
201 HG3 ARG 30 1HG ARG 30 -4.800 2.772 -4.583
202 HD2 ARG 30 2HD ARG 30 -4.998 4.993 -5.323
203 HD3 ARG 30 1HD ARG 30 -6.689 4.455 -5.384
204 HE ARG 30 HE ARG 30 -5.984 5.449 -2.754
205 HH11 ARG 30 1HH2 ARG 30 -6.855 6.333 -5.977
206 HH12 ARG 30 2HH2 ARG 30 -7.558 7.844 -5.509
207 HH21 ARG 30 1HH1 ARG 30 -6.898 7.417 -2.133
208 HH22 ARG 30 2HH1 ARG 30 -7.582 8.457 -3.337
209 H THR 31 H THR 31 -8.861 2.222 -2.525
210 HA THR 31 HA THR 31 -9.853 -0.279 -1.300
211 HB THR 31 HB THR 31 -11.987 1.048 -1.294
212 HG1 THR 31 1HG THR 31 -12.053 2.541 -2.752
213 HG21 THR 31 3HG2 THR 31 -10.527 3.124 -0.125
214 HG22 THR 31 1HG2 THR 31 -9.477 1.714 0.015
215 HG23 THR 31 2HG2 THR 31 -11.109 1.670 0.685
216 H SER 32 H SER 32 -9.428 1.014 -4.452
217 HA SER 32 HA SER 32 -11.383 -0.980 -5.560
218 HB2 SER 32 2HB SER 32 -10.463 1.431 -7.081
219 HB3 SER 32 1HB SER 32 -12.024 0.615 -7.122
220 HG SER 32 HG SER 32 -12.672 1.774 -5.471
221 H GLY 33 H GLY 33 -8.424 -1.227 -4.896
222 HA2 GLY 33 2HA GLY 33 -6.772 -2.582 -5.952
223 HA3 GLY 33 1HA GLY 33 -7.633 -2.396 -7.480
Start of MODEL 8
1 H1 ALA 1 1HT ALA 1 15.508 -1.246 -0.778
2 H2 ALA 1 2HT ALA 1 16.334 -2.730 -0.773
3 H3 ALA 1 3HT ALA 1 17.164 -1.292 -0.414
4 HA ALA 1 HA ALA 1 16.309 -2.919 1.484
5 HB1 ALA 1 2HB ALA 1 16.958 -0.083 1.110
6 HB2 ALA 1 3HB ALA 1 17.538 -1.209 2.338
7 HB3 ALA 1 1HB ALA 1 15.998 -0.376 2.560
8 H CYS 2 H CYS 2 14.047 -3.151 -0.122
9 HA CYS 2 HA CYS 2 11.834 -1.500 0.739
10 HB2 CYS 2 2HB CYS 2 11.613 -2.594 -1.334
11 HB3 CYS 2 1HB CYS 2 12.221 -4.120 -0.703
12 H ASN 3 H ASN 3 10.710 -1.645 2.636
13 HA ASN 3 HA ASN 3 10.890 -4.197 4.205
14 HB2 ASN 3 2HB ASN 3 12.152 -1.915 4.853
15 HB3 ASN 3 1HB ASN 3 10.576 -1.551 5.555
16 HD21 ASN 3 1HD2 ASN 3 11.108 -1.849 7.779
17 HD22 ASN 3 2HD2 ASN 3 11.623 -3.335 8.419
18 H ASP 4 H ASP 4 8.948 -4.813 5.260
19 HA ASP 4 HA ASP 4 6.468 -4.056 4.081
20 HB2 ASP 4 2HB ASP 4 7.506 -5.717 6.269
21 HB3 ASP 4 1HB ASP 4 5.875 -5.114 6.571
22 H ARG 5 H ARG 5 8.041 -2.973 7.092
23 HA ARG 5 HA ARG 5 5.865 -1.394 8.086
24 HB2 ARG 5 2HB ARG 5 8.222 -2.235 9.027
25 HB3 ARG 5 1HB ARG 5 8.707 -0.609 8.542
26 HG2 ARG 5 2HG ARG 5 7.957 -0.240 10.718
27 HG3 ARG 5 1HG ARG 5 6.505 0.109 9.782
28 HD2 ARG 5 2HD ARG 5 5.868 -1.360 11.605
29 HD3 ARG 5 1HD ARG 5 5.835 -2.325 10.118
30 HE ARG 5 HE ARG 5 7.681 -3.541 10.944
31 HH11 ARG 5 1HH2 ARG 5 7.348 -0.491 12.530
32 HH12 ARG 5 2HH2 ARG 5 8.630 -0.788 13.652
33 HH21 ARG 5 1HH1 ARG 5 9.358 -3.939 12.403
34 HH22 ARG 5 2HH1 ARG 5 9.768 -2.738 13.582
35 H ASP 6 H ASP 6 8.709 -0.507 6.102
36 HA ASP 6 HA ASP 6 7.978 2.286 5.877
37 HB2 ASP 6 2HB ASP 6 9.914 0.357 4.647
38 HB3 ASP 6 1HB ASP 6 9.679 1.919 3.861
39 H CYS 7 H CYS 7 7.167 -0.614 4.045
40 HA CYS 7 HA CYS 7 6.279 0.676 1.632
41 HB2 CYS 7 2HB CYS 7 6.699 -1.867 2.485
42 HB3 CYS 7 1HB CYS 7 4.938 -1.800 2.581
43 H SER 8 H SER 8 4.305 -0.708 4.300
44 HA SER 8 HA SER 8 1.822 0.384 3.474
45 HB2 SER 8 2HB SER 8 1.213 -0.039 5.848
46 HB3 SER 8 1HB SER 8 2.138 -1.374 5.170
47 HG SER 8 HG SER 8 4.013 -0.327 6.106
48 H LEU 9 H LEU 9 4.258 1.709 5.731
49 HA LEU 9 HA LEU 9 2.912 4.077 6.492
50 HB2 LEU 9 2HB LEU 9 5.673 3.026 6.333
51 HB3 LEU 9 1HB LEU 9 5.558 4.785 6.382
52 HG LEU 9 HG LEU 9 3.704 3.763 8.286
53 HD11 LEU 9 1HD1 LEU 9 6.432 2.461 8.336
54 HD12 LEU 9 2HD1 LEU 9 4.855 1.679 8.433
55 HD13 LEU 9 3HD1 LEU 9 5.450 2.636 9.789
56 HD21 LEU 9 3HD2 LEU 9 4.742 5.309 9.650
57 HD22 LEU 9 1HD2 LEU 9 5.351 5.871 8.093
58 HD23 LEU 9 2HD2 LEU 9 6.358 4.848 9.117
59 H ASP 10 H ASP 10 5.084 3.508 3.708
60 HA ASP 10 HA ASP 10 4.751 6.206 2.649
61 HB2 ASP 10 2HB ASP 10 6.515 4.102 2.372
62 HB3 ASP 10 1HB ASP 10 5.624 4.037 0.851
63 H CYS 11 H CYS 11 3.506 2.974 1.787
64 HA CYS 11 HA CYS 11 2.009 3.654 -0.510
65 HB2 CYS 11 2HB CYS 11 1.830 1.602 1.684
66 HB3 CYS 11 1HB CYS 11 0.580 1.656 0.442
67 H ILE 12 H ILE 12 1.140 3.889 2.934
68 HA ILE 12 HA ILE 12 -1.601 4.731 2.411
69 HB ILE 12 HB ILE 12 0.250 4.649 4.799
70 HG12 ILE 12 2HG1 ILE 12 -2.328 3.208 4.758
71 HG13 ILE 12 1HG1 ILE 12 -1.178 2.681 3.529
72 HG21 ILE 12 1HG2 ILE 12 -2.187 6.193 4.448
73 HG22 ILE 12 2HG2 ILE 12 -1.076 6.163 5.817
74 HG23 ILE 12 3HG2 ILE 12 -2.381 4.981 5.714
75 HD11 ILE 12 3HD1 ILE 12 0.312 3.027 5.907
76 HD12 ILE 12 1HD1 ILE 12 -0.095 1.506 5.112
77 HD13 ILE 12 2HD1 ILE 12 -1.152 2.156 6.365
78 H MET 13 H MET 13 1.480 6.349 3.047
79 HA MET 13 HA MET 13 0.334 8.998 3.397
80 HB2 MET 13 2HB MET 13 2.903 7.641 3.435
81 HB3 MET 13 1HB MET 13 3.021 9.185 2.592
82 HG2 MET 13 2HG MET 13 1.426 9.743 4.814
83 HG3 MET 13 1HG MET 13 2.672 8.663 5.437
84 HE1 MET 13 3HE MET 13 1.879 11.436 6.101
85 HE2 MET 13 1HE MET 13 3.106 12.688 5.865
86 HE3 MET 13 2HE MET 13 3.433 11.317 6.921
87 H LYS 14 H LYS 14 1.770 7.212 0.672
88 HA LYS 14 HA LYS 14 1.950 9.297 -1.227
89 HB2 LYS 14 2HB LYS 14 1.343 6.337 -1.393
90 HB3 LYS 14 1HB LYS 14 1.589 7.326 -2.833
91 HG2 LYS 14 2HG LYS 14 3.817 7.954 -2.081
92 HG3 LYS 14 1HG LYS 14 3.575 7.103 -0.556
93 HD2 LYS 14 2HD LYS 14 4.243 5.169 -1.488
94 HD3 LYS 14 1HD LYS 14 3.000 5.314 -2.732
95 HE2 LYS 14 2HE LYS 14 4.570 5.835 -4.275
96 HE3 LYS 14 1HE LYS 14 5.139 7.186 -3.274
97 HZ1 LYS 14 3HZ LYS 14 5.925 4.333 -3.092
98 HZ2 LYS 14 1HZ LYS 14 6.241 5.447 -1.853
99 HZ3 LYS 14 2HZ LYS 14 6.928 5.672 -3.390
100 H GLY 15 H GLY 15 -0.858 7.428 -0.155
101 HA2 GLY 15 2HA GLY 15 -2.940 9.003 -0.425
102 HA3 GLY 15 1HA GLY 15 -2.551 8.821 -2.132
103 H TYR 16 H TYR 16 -1.618 5.956 -0.988
104 HA TYR 16 HA TYR 16 -4.132 4.651 -1.801
105 HB2 TYR 16 2HB TYR 16 -1.467 3.494 -0.932
106 HB3 TYR 16 1HB TYR 16 -2.714 2.688 -1.882
107 HD1 TYR 16 2HD TYR 16 -3.432 3.909 -4.101
108 HD2 TYR 16 1HD TYR 16 0.276 4.589 -2.044
109 HE1 TYR 16 2HE TYR 16 -2.446 4.826 -6.182
110 HE2 TYR 16 1HE TYR 16 1.264 5.506 -4.126
111 HH TYR 16 HH TYR 16 0.881 6.103 -6.231
112 H ASN 17 H ASN 17 -3.729 2.275 -0.194
113 HA ASN 17 HA ASN 17 -4.492 3.328 2.513
114 HB2 ASN 17 2HB ASN 17 -6.417 2.462 1.365
115 HB3 ASN 17 1HB ASN 17 -5.530 1.038 0.825
116 HD21 ASN 17 1HD2 ASN 17 -5.108 2.261 4.112
117 HD22 ASN 17 2HD2 ASN 17 -5.921 0.987 4.885
118 H THR 18 H THR 18 -2.825 0.775 0.698
119 HA THR 18 HA THR 18 -1.005 0.294 2.937
120 HB THR 18 HB THR 18 -3.007 -0.918 3.669
121 HG1 THR 18 1HG THR 18 -0.908 -1.881 3.931
122 HG21 THR 18 3HG2 THR 18 -3.176 -3.004 1.755
123 HG22 THR 18 1HG2 THR 18 -3.199 -1.486 0.859
124 HG23 THR 18 2HG2 THR 18 -4.390 -1.780 2.123
125 H GLY 19 H GLY 19 0.456 -1.671 2.340
126 HA2 GLY 19 2HA GLY 19 0.550 -2.514 -0.432
127 HA3 GLY 19 1HA GLY 19 1.761 -1.278 -0.086
128 H SER 20 H SER 20 3.159 -3.270 -0.691
129 HA SER 20 HA SER 20 4.246 -4.377 1.788
130 HB2 SER 20 2HB SER 20 2.756 -6.108 -0.208
131 HB3 SER 20 1HB SER 20 3.785 -6.749 1.069
132 HG SER 20 HG SER 20 1.263 -5.646 1.188
133 H CYS 21 H CYS 21 5.942 -6.215 1.032
134 HA CYS 21 HA CYS 21 7.616 -4.921 -1.034
135 HB2 CYS 21 2HB CYS 21 8.181 -5.944 1.362
136 HB3 CYS 21 1HB CYS 21 8.346 -7.431 0.429
137 H VAL 22 H VAL 22 7.909 -5.768 -3.076
138 HA VAL 22 HA VAL 22 7.145 -8.595 -3.613
139 HB VAL 22 HB VAL 22 6.049 -6.170 -5.078
140 HG11 VAL 22 1HG1 VAL 22 5.517 -7.616 -6.715
141 HG12 VAL 22 2HG1 VAL 22 4.604 -8.585 -5.558
142 HG13 VAL 22 3HG1 VAL 22 6.316 -8.917 -5.830
143 HG21 VAL 22 3HG2 VAL 22 3.875 -6.924 -4.088
144 HG22 VAL 22 1HG2 VAL 22 5.032 -6.385 -2.870
145 HG23 VAL 22 2HG2 VAL 22 4.762 -8.109 -3.129
146 H ARG 23 H ARG 23 8.645 -9.490 -4.993
147 HA ARG 23 HA ARG 23 10.539 -9.604 -6.413
148 HB2 ARG 23 2HB ARG 23 8.500 -7.769 -7.492
149 HB3 ARG 23 1HB ARG 23 10.105 -7.535 -8.184
150 HG2 ARG 23 2HG ARG 23 10.216 -9.995 -8.638
151 HG3 ARG 23 1HG ARG 23 8.548 -10.133 -8.075
152 HD2 ARG 23 2HD ARG 23 7.710 -8.837 -9.884
153 HD3 ARG 23 1HD ARG 23 9.322 -8.216 -10.288
154 HE ARG 23 HE ARG 23 9.387 -11.068 -10.410
155 HH11 ARG 23 1HH2 ARG 23 8.058 -8.307 -12.006
156 HH12 ARG 23 2HH2 ARG 23 8.009 -9.069 -13.560
157 HH21 ARG 23 1HH1 ARG 23 9.326 -12.071 -12.433
158 HH22 ARG 23 2HH1 ARG 23 8.726 -11.196 -13.803
159 H GLY 24 H GLY 24 11.057 -8.174 -4.016
160 HA2 GLY 24 2HA GLY 24 12.667 -6.718 -3.121
161 HA3 GLY 24 1HA GLY 24 13.396 -6.684 -4.728
162 H SER 25 H SER 25 10.057 -5.774 -4.332
163 HA SER 25 HA SER 25 10.819 -2.883 -4.579
164 HB2 SER 25 2HB SER 25 8.548 -4.209 -6.065
165 HB3 SER 25 1HB SER 25 9.326 -2.669 -6.416
166 HG SER 25 HG SER 25 11.291 -4.138 -6.633
167 H CYS 26 H CYS 26 8.265 -1.830 -4.663
168 HA CYS 26 HA CYS 26 6.759 -2.947 -2.350
169 HB2 CYS 26 2HB CYS 26 8.604 -0.750 -2.285
170 HB3 CYS 26 1HB CYS 26 6.978 -0.119 -2.019
171 H GLN 27 H GLN 27 4.631 -2.931 -2.948
172 HA GLN 27 HA GLN 27 3.719 -0.847 -4.908
173 HB2 GLN 27 2HB GLN 27 3.186 -3.770 -4.499
174 HB3 GLN 27 1HB GLN 27 1.908 -2.776 -5.200
175 HG2 GLN 27 2HG GLN 27 3.312 -2.096 -7.021
176 HG3 GLN 27 1HG GLN 27 4.744 -2.781 -6.254
177 HE21 GLN 27 1HE2 GLN 27 2.063 -3.488 -8.335
178 HE22 GLN 27 2HE2 GLN 27 2.353 -5.153 -8.497
179 H CYS 28 H CYS 28 1.442 -0.138 -4.594
180 HA CYS 28 HA CYS 28 0.524 -0.424 -1.750
181 HB2 CYS 28 2HB CYS 28 0.325 2.031 -3.517
182 HB3 CYS 28 1HB CYS 28 0.014 1.936 -1.784
183 H ARG 29 H ARG 29 -1.814 -0.230 -1.476
184 HA ARG 29 HA ARG 29 -3.434 -0.424 -3.978
185 HB2 ARG 29 2HB ARG 29 -3.615 -2.333 -1.626
186 HB3 ARG 29 1HB ARG 29 -4.461 -2.467 -3.169
187 HG2 ARG 29 2HG ARG 29 -2.038 -2.430 -4.185
188 HG3 ARG 29 1HG ARG 29 -1.555 -2.922 -2.561
189 HD2 ARG 29 2HD ARG 29 -3.616 -4.356 -4.278
190 HD3 ARG 29 1HD ARG 29 -1.958 -4.913 -3.973
191 HE ARG 29 HE ARG 29 -3.347 -4.318 -1.500
192 HH11 ARG 29 1HH2 ARG 29 -2.946 -6.626 -4.038
193 HH12 ARG 29 2HH2 ARG 29 -3.379 -7.980 -3.048
194 HH21 ARG 29 1HH1 ARG 29 -3.912 -6.076 -0.203
195 HH22 ARG 29 2HH1 ARG 29 -3.925 -7.669 -0.881
196 H ARG 30 H ARG 30 -5.426 0.590 -3.765
197 HA ARG 30 HA ARG 30 -6.015 1.873 -1.141
198 HB2 ARG 30 2HB ARG 30 -6.154 2.570 -3.920
199 HB3 ARG 30 1HB ARG 30 -7.774 2.672 -3.231
200 HG2 ARG 30 2HG ARG 30 -5.750 3.781 -1.444
201 HG3 ARG 30 1HG ARG 30 -5.789 4.606 -3.003
202 HD2 ARG 30 2HD ARG 30 -8.418 4.529 -2.612
203 HD3 ARG 30 1HD ARG 30 -7.927 4.422 -0.910
204 HE ARG 30 HE ARG 30 -6.317 6.432 -1.959
205 HH11 ARG 30 1HH2 ARG 30 -9.703 5.764 -1.776
206 HH12 ARG 30 2HH2 ARG 30 -10.160 7.433 -1.732
207 HH21 ARG 30 1HH1 ARG 30 -6.905 8.611 -1.904
208 HH22 ARG 30 2HH1 ARG 30 -8.579 9.042 -1.804
209 H THR 31 H THR 31 -8.766 2.256 -1.475
210 HA THR 31 HA THR 31 -9.799 -0.551 -1.244
211 HB THR 31 HB THR 31 -11.552 0.685 0.186
212 HG1 THR 31 1HG THR 31 -11.032 2.762 -0.613
213 HG21 THR 31 3HG2 THR 31 -9.133 1.224 1.667
214 HG22 THR 31 1HG2 THR 31 -8.968 -0.283 0.765
215 HG23 THR 31 2HG2 THR 31 -10.306 -0.073 1.894
216 H SER 32 H SER 32 -11.955 -0.939 -2.111
217 HA SER 32 HA SER 32 -13.109 1.168 -3.865
218 HB2 SER 32 2HB SER 32 -11.375 -0.121 -5.135
219 HB3 SER 32 1HB SER 32 -12.289 -1.595 -4.818
220 HG SER 32 HG SER 32 -13.202 -1.005 -6.644
221 H GLY 33 H GLY 33 -14.294 0.275 -1.536
222 HA2 GLY 33 2HA GLY 33 -16.668 -1.128 -2.598
223 HA3 GLY 33 1HA GLY 33 -15.841 -1.906 -1.248
Start of MODEL 9
1 H1 ALA 1 1HT ALA 1 16.164 -3.198 0.092
2 H2 ALA 1 2HT ALA 1 17.481 -2.149 -0.137
3 H3 ALA 1 3HT ALA 1 15.990 -1.823 -0.886
4 HA ALA 1 HA ALA 1 16.453 -1.825 2.057
5 HB1 ALA 1 2HB ALA 1 17.212 0.277 1.738
6 HB2 ALA 1 3HB ALA 1 15.754 0.691 0.835
7 HB3 ALA 1 1HB ALA 1 17.143 0.003 -0.004
8 H CYS 2 H CYS 2 14.302 -2.818 -0.102
9 HA CYS 2 HA CYS 2 11.953 -1.229 0.694
10 HB2 CYS 2 2HB CYS 2 12.022 -2.003 -1.560
11 HB3 CYS 2 1HB CYS 2 12.496 -3.627 -1.067
12 H ASN 3 H ASN 3 11.105 -1.622 2.709
13 HA ASN 3 HA ASN 3 11.104 -4.449 3.714
14 HB2 ASN 3 2HB ASN 3 12.155 -2.133 4.797
15 HB3 ASN 3 1HB ASN 3 10.595 -2.256 5.609
16 HD21 ASN 3 1HD2 ASN 3 13.801 -3.329 5.766
17 HD22 ASN 3 2HD2 ASN 3 13.567 -4.678 6.769
18 H ASP 4 H ASP 4 9.165 -4.829 5.255
19 HA ASP 4 HA ASP 4 6.702 -4.238 3.819
20 HB2 ASP 4 2HB ASP 4 7.129 -6.374 4.930
21 HB3 ASP 4 1HB ASP 4 7.325 -5.557 6.480
22 H ARG 5 H ARG 5 8.016 -3.307 7.018
23 HA ARG 5 HA ARG 5 5.819 -1.717 7.885
24 HB2 ARG 5 2HB ARG 5 8.137 -2.573 8.935
25 HB3 ARG 5 1HB ARG 5 8.632 -0.931 8.520
26 HG2 ARG 5 2HG ARG 5 7.574 -0.159 10.346
27 HG3 ARG 5 1HG ARG 5 6.046 -0.767 9.705
28 HD2 ARG 5 2HD ARG 5 6.461 -2.966 10.721
29 HD3 ARG 5 1HD ARG 5 8.031 -2.404 11.327
30 HE ARG 5 HE ARG 5 5.999 -0.557 12.137
31 HH11 ARG 5 1HH2 ARG 5 7.177 -3.755 12.699
32 HH12 ARG 5 2HH2 ARG 5 6.637 -3.805 14.342
33 HH21 ARG 5 1HH1 ARG 5 5.291 -0.610 14.280
34 HH22 ARG 5 2HH1 ARG 5 5.570 -2.026 15.239
35 H ASP 6 H ASP 6 8.661 -0.894 5.904
36 HA ASP 6 HA ASP 6 8.094 1.943 5.767
37 HB2 ASP 6 2HB ASP 6 9.916 -0.070 4.571
38 HB3 ASP 6 1HB ASP 6 9.641 1.376 3.597
39 H CYS 7 H CYS 7 7.028 -0.871 3.945
40 HA CYS 7 HA CYS 7 6.114 0.520 1.591
41 HB2 CYS 7 2HB CYS 7 6.441 -2.066 2.381
42 HB3 CYS 7 1HB CYS 7 4.688 -1.913 2.508
43 H SER 8 H SER 8 4.211 -0.819 4.338
44 HA SER 8 HA SER 8 1.736 0.374 3.629
45 HB2 SER 8 2HB SER 8 1.182 -0.082 5.982
46 HB3 SER 8 1HB SER 8 2.150 -1.403 5.336
47 HG SER 8 HG SER 8 2.687 0.317 7.358
48 H LEU 9 H LEU 9 4.263 1.578 5.875
49 HA LEU 9 HA LEU 9 3.096 4.007 6.654
50 HB2 LEU 9 2HB LEU 9 5.755 2.797 6.407
51 HB3 LEU 9 1HB LEU 9 5.800 4.555 6.262
52 HG LEU 9 HG LEU 9 4.344 3.109 8.489
53 HD11 LEU 9 1HD1 LEU 9 6.754 4.552 9.248
54 HD12 LEU 9 2HD1 LEU 9 7.115 3.246 8.118
55 HD13 LEU 9 3HD1 LEU 9 6.277 2.898 9.631
56 HD21 LEU 9 3HD2 LEU 9 4.617 5.877 7.602
57 HD22 LEU 9 1HD2 LEU 9 5.131 5.669 9.276
58 HD23 LEU 9 2HD2 LEU 9 3.507 5.189 8.785
59 H ASP 10 H ASP 10 5.149 3.402 3.784
60 HA ASP 10 HA ASP 10 4.767 6.076 2.700
61 HB2 ASP 10 2HB ASP 10 6.483 3.924 2.362
62 HB3 ASP 10 1HB ASP 10 5.545 3.916 0.869
63 H CYS 11 H CYS 11 3.666 2.841 1.629
64 HA CYS 11 HA CYS 11 1.977 3.551 -0.472
65 HB2 CYS 11 2HB CYS 11 1.931 1.427 1.663
66 HB3 CYS 11 1HB CYS 11 0.666 1.475 0.440
67 H ILE 12 H ILE 12 1.526 4.151 2.934
68 HA ILE 12 HA ILE 12 -1.368 4.671 2.657
69 HB ILE 12 HB ILE 12 0.661 4.826 4.897
70 HG12 ILE 12 2HG1 ILE 12 -1.773 3.053 4.663
71 HG13 ILE 12 1HG1 ILE 12 -0.232 2.594 3.941
72 HG21 ILE 12 1HG2 ILE 12 -1.919 4.872 5.989
73 HG22 ILE 12 2HG2 ILE 12 -1.968 6.050 4.677
74 HG23 ILE 12 3HG2 ILE 12 -0.769 6.210 5.961
75 HD11 ILE 12 3HD1 ILE 12 0.119 1.659 6.003
76 HD12 ILE 12 1HD1 ILE 12 -1.008 2.755 6.804
77 HD13 ILE 12 2HD1 ILE 12 0.622 3.301 6.407
78 H MET 13 H MET 13 1.633 6.504 3.184
79 HA MET 13 HA MET 13 0.295 9.072 3.425
80 HB2 MET 13 2HB MET 13 2.529 9.895 3.580
81 HB3 MET 13 1HB MET 13 2.574 8.294 4.315
82 HG2 MET 13 2HG MET 13 4.258 7.839 2.885
83 HG3 MET 13 1HG MET 13 3.024 7.773 1.627
84 HE1 MET 13 3HE MET 13 6.513 10.103 2.224
85 HE2 MET 13 1HE MET 13 6.346 9.177 0.726
86 HE3 MET 13 2HE MET 13 6.006 8.417 2.278
87 H LYS 14 H LYS 14 1.389 7.113 0.752
88 HA LYS 14 HA LYS 14 1.758 9.164 -1.217
89 HB2 LYS 14 2HB LYS 14 0.919 6.254 -1.355
90 HB3 LYS 14 1HB LYS 14 1.377 7.209 -2.763
91 HG2 LYS 14 2HG LYS 14 3.602 7.530 -1.939
92 HG3 LYS 14 1HG LYS 14 3.171 6.899 -0.350
93 HD2 LYS 14 2HD LYS 14 3.998 4.935 -1.142
94 HD3 LYS 14 1HD LYS 14 2.449 4.814 -1.979
95 HE2 LYS 14 2HE LYS 14 4.003 4.518 -3.732
96 HE3 LYS 14 1HE LYS 14 3.651 6.254 -3.832
97 HZ1 LYS 14 3HZ LYS 14 5.891 5.008 -2.327
98 HZ2 LYS 14 1HZ LYS 14 5.526 6.664 -2.336
99 HZ3 LYS 14 2HZ LYS 14 6.033 5.898 -3.766
100 H GLY 15 H GLY 15 -1.117 7.368 -0.144
101 HA2 GLY 15 2HA GLY 15 -3.155 9.002 -0.340
102 HA3 GLY 15 1HA GLY 15 -2.762 8.909 -2.052
103 H TYR 16 H TYR 16 -1.919 5.956 -1.032
104 HA TYR 16 HA TYR 16 -4.448 4.759 -1.962
105 HB2 TYR 16 2HB TYR 16 -1.833 3.501 -1.079
106 HB3 TYR 16 1HB TYR 16 -3.078 2.756 -2.077
107 HD1 TYR 16 2HD TYR 16 -3.751 4.187 -4.236
108 HD2 TYR 16 1HD TYR 16 -0.004 4.461 -2.153
109 HE1 TYR 16 2HE TYR 16 -2.692 5.136 -6.267
110 HE2 TYR 16 1HE TYR 16 1.055 5.409 -4.184
111 HH TYR 16 HH TYR 16 0.572 5.292 -6.733
112 H ASN 17 H ASN 17 -3.704 2.312 -0.294
113 HA ASN 17 HA ASN 17 -4.765 3.261 2.347
114 HB2 ASN 17 2HB ASN 17 -6.598 2.282 1.199
115 HB3 ASN 17 1HB ASN 17 -5.595 1.000 0.524
116 HD21 ASN 17 1HD2 ASN 17 -7.383 -0.408 1.570
117 HD22 ASN 17 2HD2 ASN 17 -7.179 -0.831 3.202
118 H THR 18 H THR 18 -2.936 0.762 0.588
119 HA THR 18 HA THR 18 -1.062 0.447 2.797
120 HB THR 18 HB THR 18 -2.897 -0.772 3.765
121 HG1 THR 18 1HG THR 18 -0.910 -1.853 3.874
122 HG21 THR 18 3HG2 THR 18 -3.819 -2.758 2.348
123 HG22 THR 18 1HG2 THR 18 -3.178 -1.859 0.974
124 HG23 THR 18 2HG2 THR 18 -4.407 -1.131 2.008
125 H GLY 19 H GLY 19 0.449 -1.490 2.284
126 HA2 GLY 19 2HA GLY 19 0.450 -2.568 -0.404
127 HA3 GLY 19 1HA GLY 19 1.613 -1.253 -0.238
128 H SER 20 H SER 20 3.075 -3.224 -0.742
129 HA SER 20 HA SER 20 4.348 -4.048 1.757
130 HB2 SER 20 2HB SER 20 2.782 -5.991 0.039
131 HB3 SER 20 1HB SER 20 3.964 -6.506 1.239
132 HG SER 20 HG SER 20 1.422 -5.758 1.588
133 H CYS 21 H CYS 21 6.289 -5.476 1.254
134 HA CYS 21 HA CYS 21 7.649 -4.491 -1.145
135 HB2 CYS 21 2HB CYS 21 8.523 -4.947 1.271
136 HB3 CYS 21 1HB CYS 21 8.622 -6.628 0.749
137 H VAL 22 H VAL 22 7.718 -5.566 -3.080
138 HA VAL 22 HA VAL 22 6.936 -8.466 -3.105
139 HB VAL 22 HB VAL 22 6.506 -6.239 -5.124
140 HG11 VAL 22 1HG1 VAL 22 6.664 -9.047 -5.514
141 HG12 VAL 22 2HG1 VAL 22 6.111 -7.830 -6.666
142 HG13 VAL 22 3HG1 VAL 22 4.954 -8.618 -5.592
143 HG21 VAL 22 3HG2 VAL 22 4.200 -7.707 -4.050
144 HG22 VAL 22 1HG2 VAL 22 4.444 -5.969 -4.218
145 HG23 VAL 22 2HG2 VAL 22 5.094 -6.817 -2.816
146 H ARG 23 H ARG 23 8.687 -9.721 -3.614
147 HA ARG 23 HA ARG 23 10.690 -10.422 -4.659
148 HB2 ARG 23 2HB ARG 23 9.093 -8.877 -6.515
149 HB3 ARG 23 1HB ARG 23 10.808 -8.665 -6.861
150 HG2 ARG 23 2HG ARG 23 10.975 -10.754 -7.688
151 HG3 ARG 23 1HG ARG 23 10.209 -11.440 -6.254
152 HD2 ARG 23 2HD ARG 23 8.082 -10.212 -7.536
153 HD3 ARG 23 1HD ARG 23 9.035 -10.865 -8.883
154 HE ARG 23 HE ARG 23 9.027 -12.897 -6.975
155 HH11 ARG 23 1HH2 ARG 23 6.685 -11.035 -8.700
156 HH12 ARG 23 2HH2 ARG 23 5.501 -12.297 -8.712
157 HH21 ARG 23 1HH1 ARG 23 7.490 -14.550 -6.985
158 HH22 ARG 23 2HH1 ARG 23 5.955 -14.284 -7.743
159 H GLY 24 H GLY 24 10.858 -7.096 -5.833
160 HA2 GLY 24 2HA GLY 24 12.913 -6.438 -3.795
161 HA3 GLY 24 1HA GLY 24 13.383 -6.356 -5.493
162 H SER 25 H SER 25 10.117 -5.561 -4.596
163 HA SER 25 HA SER 25 10.733 -2.642 -4.699
164 HB2 SER 25 2HB SER 25 8.637 -4.034 -6.389
165 HB3 SER 25 1HB SER 25 9.122 -2.343 -6.483
166 HG SER 25 HG SER 25 11.335 -3.513 -6.787
167 H CYS 26 H CYS 26 8.131 -1.708 -4.735
168 HA CYS 26 HA CYS 26 6.659 -3.103 -2.549
169 HB2 CYS 26 2HB CYS 26 8.411 -0.878 -2.245
170 HB3 CYS 26 1HB CYS 26 6.766 -0.278 -2.024
171 H GLN 27 H GLN 27 4.508 -3.086 -3.079
172 HA GLN 27 HA GLN 27 3.539 -0.989 -4.992
173 HB2 GLN 27 2HB GLN 27 3.023 -3.908 -4.553
174 HB3 GLN 27 1HB GLN 27 1.721 -2.924 -5.221
175 HG2 GLN 27 2HG GLN 27 4.525 -2.900 -6.355
176 HG3 GLN 27 1HG GLN 27 3.275 -4.003 -6.932
177 HE21 GLN 27 1HE2 GLN 27 3.780 -2.588 -9.000
178 HE22 GLN 27 2HE2 GLN 27 2.825 -1.198 -9.196
179 H CYS 28 H CYS 28 1.462 -0.042 -4.555
180 HA CYS 28 HA CYS 28 0.483 -0.425 -1.742
181 HB2 CYS 28 2HB CYS 28 0.325 2.079 -3.442
182 HB3 CYS 28 1HB CYS 28 0.081 1.946 -1.700
183 H ARG 29 H ARG 29 -1.882 0.079 -1.500
184 HA ARG 29 HA ARG 29 -3.451 -0.250 -4.025
185 HB2 ARG 29 2HB ARG 29 -3.550 -1.913 -1.491
186 HB3 ARG 29 1HB ARG 29 -4.803 -1.970 -2.731
187 HG2 ARG 29 2HG ARG 29 -2.178 -2.207 -3.933
188 HG3 ARG 29 1HG ARG 29 -2.404 -3.440 -2.692
189 HD2 ARG 29 2HD ARG 29 -4.789 -3.087 -4.368
190 HD3 ARG 29 1HD ARG 29 -3.365 -3.615 -5.287
191 HE ARG 29 HE ARG 29 -3.668 -5.039 -2.761
192 HH11 ARG 29 1HH2 ARG 29 -4.596 -4.833 -6.081
193 HH12 ARG 29 2HH2 ARG 29 -4.980 -6.516 -6.212
194 HH21 ARG 29 1HH1 ARG 29 -4.167 -7.237 -2.920
195 HH22 ARG 29 2HH1 ARG 29 -4.737 -7.876 -4.425
196 H ARG 30 H ARG 30 -5.598 0.620 -3.870
197 HA ARG 30 HA ARG 30 -5.928 2.672 -1.769
198 HB2 ARG 30 2HB ARG 30 -6.870 2.070 -4.484
199 HB3 ARG 30 1HB ARG 30 -8.150 2.686 -3.438
200 HG2 ARG 30 2HG ARG 30 -6.153 4.389 -2.771
201 HG3 ARG 30 1HG ARG 30 -5.712 4.048 -4.445
202 HD2 ARG 30 2HD ARG 30 -8.381 4.437 -4.754
203 HD3 ARG 30 1HD ARG 30 -8.065 5.519 -3.383
204 HE ARG 30 HE ARG 30 -5.992 5.832 -5.341
205 HH11 ARG 30 1HH2 ARG 30 -9.329 6.489 -4.734
206 HH12 ARG 30 2HH2 ARG 30 -9.365 7.904 -5.733
207 HH21 ARG 30 1HH1 ARG 30 -6.030 7.675 -6.646
208 HH22 ARG 30 2HH1 ARG 30 -7.500 8.574 -6.813
209 H THR 31 H THR 31 -8.698 2.754 -1.516
210 HA THR 31 HA THR 31 -9.187 0.569 0.361
211 HB THR 31 HB THR 31 -11.512 1.886 0.249
212 HG1 THR 31 1HG THR 31 -10.714 4.138 -0.304
213 HG21 THR 31 3HG2 THR 31 -9.293 1.952 1.857
214 HG22 THR 31 1HG2 THR 31 -10.763 2.883 2.145
215 HG23 THR 31 2HG2 THR 31 -9.395 3.631 1.322
216 H SER 32 H SER 32 -10.240 -1.327 -0.107
217 HA SER 32 HA SER 32 -11.276 -1.761 -2.838
218 HB2 SER 32 2HB SER 32 -11.661 -4.073 -1.421
219 HB3 SER 32 1HB SER 32 -10.152 -3.651 -2.224
220 HG SER 32 HG SER 32 -10.840 -3.609 0.470
221 H GLY 33 H GLY 33 -13.278 -0.621 -2.900
222 HA2 GLY 33 2HA GLY 33 -15.243 -0.791 -0.788
223 HA3 GLY 33 1HA GLY 33 -15.543 -0.202 -2.424
Start of MODEL 10
1 H1 ALA 1 1HT ALA 1 16.984 -6.206 -1.206
2 H2 ALA 1 2HT ALA 1 16.479 -4.611 -0.910
3 H3 ALA 1 3HT ALA 1 15.409 -5.726 -1.614
4 HA ALA 1 HA ALA 1 15.240 -6.978 0.392
5 HB1 ALA 1 2HB ALA 1 17.527 -6.959 1.049
6 HB2 ALA 1 3HB ALA 1 16.693 -6.082 2.332
7 HB3 ALA 1 1HB ALA 1 17.579 -5.195 1.091
8 H CYS 2 H CYS 2 13.453 -5.262 -0.513
9 HA CYS 2 HA CYS 2 13.122 -2.803 0.963
10 HB2 CYS 2 2HB CYS 2 10.973 -2.788 -0.155
11 HB3 CYS 2 1HB CYS 2 12.151 -3.459 -1.279
12 H ASN 3 H ASN 3 10.844 -2.613 2.205
13 HA ASN 3 HA ASN 3 10.427 -4.981 3.975
14 HB2 ASN 3 2HB ASN 3 10.516 -3.272 5.898
15 HB3 ASN 3 1HB ASN 3 12.057 -3.697 5.153
16 HD21 ASN 3 1HD2 ASN 3 13.023 -1.607 5.665
17 HD22 ASN 3 2HD2 ASN 3 12.547 -0.190 4.859
18 H ASP 4 H ASP 4 8.345 -4.906 5.077
19 HA ASP 4 HA ASP 4 6.267 -3.525 3.548
20 HB2 ASP 4 2HB ASP 4 6.311 -5.883 4.650
21 HB3 ASP 4 1HB ASP 4 5.928 -5.026 6.143
22 H ARG 5 H ARG 5 8.044 -2.937 6.486
23 HA ARG 5 HA ARG 5 6.176 -1.285 7.890
24 HB2 ARG 5 2HB ARG 5 8.397 -2.323 8.633
25 HB3 ARG 5 1HB ARG 5 9.187 -0.983 7.799
26 HG2 ARG 5 2HG ARG 5 8.775 0.395 9.529
27 HG3 ARG 5 1HG ARG 5 7.052 0.029 9.452
28 HD2 ARG 5 2HD ARG 5 8.062 -2.278 10.575
29 HD3 ARG 5 1HD ARG 5 9.094 -1.024 11.292
30 HE ARG 5 HE ARG 5 7.191 -0.160 12.402
31 HH11 ARG 5 1HH2 ARG 5 6.334 -2.297 9.825
32 HH12 ARG 5 2HH2 ARG 5 4.647 -2.298 10.215
33 HH21 ARG 5 1HH1 ARG 5 4.993 -0.156 12.918
34 HH22 ARG 5 2HH1 ARG 5 3.889 -1.087 11.963
35 H ASP 6 H ASP 6 9.030 -0.177 6.017
36 HA ASP 6 HA ASP 6 8.046 2.534 5.799
37 HB2 ASP 6 2HB ASP 6 10.184 0.939 4.348
38 HB3 ASP 6 1HB ASP 6 9.991 2.686 4.204
39 H CYS 7 H CYS 7 7.473 -0.379 4.011
40 HA CYS 7 HA CYS 7 6.816 0.781 1.449
41 HB2 CYS 7 2HB CYS 7 7.348 -1.569 1.707
42 HB3 CYS 7 1HB CYS 7 6.051 -1.781 2.886
43 H SER 8 H SER 8 4.622 -0.587 3.940
44 HA SER 8 HA SER 8 2.218 0.475 2.867
45 HB2 SER 8 2HB SER 8 1.537 0.213 5.375
46 HB3 SER 8 1HB SER 8 2.071 -1.221 4.503
47 HG SER 8 HG SER 8 3.794 -1.296 5.713
48 H LEU 9 H LEU 9 4.433 1.828 5.333
49 HA LEU 9 HA LEU 9 3.006 4.157 6.024
50 HB2 LEU 9 2HB LEU 9 5.705 3.098 6.140
51 HB3 LEU 9 1HB LEU 9 5.735 4.835 5.845
52 HG LEU 9 HG LEU 9 4.164 3.482 8.057
53 HD11 LEU 9 1HD1 LEU 9 6.366 3.327 8.804
54 HD12 LEU 9 2HD1 LEU 9 5.917 4.924 9.403
55 HD13 LEU 9 3HD1 LEU 9 6.872 4.771 7.930
56 HD21 LEU 9 3HD2 LEU 9 3.021 5.433 8.030
57 HD22 LEU 9 1HD2 LEU 9 4.142 6.152 6.876
58 HD23 LEU 9 2HD2 LEU 9 4.503 6.198 8.601
59 H ASP 10 H ASP 10 5.104 3.541 3.219
60 HA ASP 10 HA ASP 10 4.859 6.266 2.179
61 HB2 ASP 10 2HB ASP 10 6.645 4.264 1.904
62 HB3 ASP 10 1HB ASP 10 5.650 3.941 0.482
63 H CYS 11 H CYS 11 3.408 3.093 1.498
64 HA CYS 11 HA CYS 11 1.895 3.885 -0.812
65 HB2 CYS 11 2HB CYS 11 1.875 1.675 1.219
66 HB3 CYS 11 1HB CYS 11 0.542 1.792 0.071
67 H ILE 12 H ILE 12 1.285 4.091 2.659
68 HA ILE 12 HA ILE 12 -1.545 4.787 2.334
69 HB ILE 12 HB ILE 12 0.414 4.868 4.650
70 HG12 ILE 12 2HG1 ILE 12 -1.867 2.948 4.417
71 HG13 ILE 12 1HG1 ILE 12 -0.448 2.667 3.407
72 HG21 ILE 12 1HG2 ILE 12 -2.119 6.105 4.421
73 HG22 ILE 12 2HG2 ILE 12 -1.174 5.868 5.891
74 HG23 ILE 12 3HG2 ILE 12 -2.364 4.661 5.403
75 HD11 ILE 12 3HD1 ILE 12 0.871 3.077 5.648
76 HD12 ILE 12 1HD1 ILE 12 0.133 1.504 5.342
77 HD13 ILE 12 2HD1 ILE 12 -0.671 2.663 6.400
78 H MET 13 H MET 13 1.508 6.491 2.901
79 HA MET 13 HA MET 13 0.443 9.080 3.474
80 HB2 MET 13 2HB MET 13 2.936 7.793 3.082
81 HB3 MET 13 1HB MET 13 2.902 9.171 1.984
82 HG2 MET 13 2HG MET 13 1.811 10.182 4.335
83 HG3 MET 13 1HG MET 13 3.117 9.137 4.894
84 HE1 MET 13 3HE MET 13 3.155 11.753 5.680
85 HE2 MET 13 1HE MET 13 4.456 12.768 5.041
86 HE3 MET 13 2HE MET 13 4.829 11.213 5.778
87 H LYS 14 H LYS 14 1.197 7.455 0.405
88 HA LYS 14 HA LYS 14 0.917 9.663 -1.357
89 HB2 LYS 14 2HB LYS 14 0.319 6.703 -1.612
90 HB3 LYS 14 1HB LYS 14 0.350 7.805 -2.987
91 HG2 LYS 14 2HG LYS 14 2.662 8.305 -2.661
92 HG3 LYS 14 1HG LYS 14 2.673 7.542 -1.071
93 HD2 LYS 14 2HD LYS 14 3.157 5.545 -1.985
94 HD3 LYS 14 1HD LYS 14 1.743 5.651 -3.035
95 HE2 LYS 14 2HE LYS 14 3.639 7.469 -4.102
96 HE3 LYS 14 1HE LYS 14 4.519 5.968 -3.751
97 HZ1 LYS 14 3HZ LYS 14 1.925 6.146 -5.192
98 HZ2 LYS 14 1HZ LYS 14 2.771 4.717 -4.848
99 HZ3 LYS 14 2HZ LYS 14 3.433 5.858 -5.919
100 H GLY 15 H GLY 15 -1.520 7.678 0.249
101 HA2 GLY 15 2HA GLY 15 -3.680 8.989 0.599
102 HA3 GLY 15 1HA GLY 15 -3.627 9.240 -1.142
103 H TYR 16 H TYR 16 -2.410 6.196 -0.450
104 HA TYR 16 HA TYR 16 -4.869 4.915 -1.458
105 HB2 TYR 16 2HB TYR 16 -2.108 3.870 -0.750
106 HB3 TYR 16 1HB TYR 16 -3.345 2.973 -1.625
107 HD1 TYR 16 2HD TYR 16 -4.462 5.223 -3.294
108 HD2 TYR 16 1HD TYR 16 -0.417 4.068 -2.422
109 HE1 TYR 16 2HE TYR 16 -3.709 6.251 -5.422
110 HE2 TYR 16 1HE TYR 16 0.334 5.097 -4.549
111 HH TYR 16 HH TYR 16 -1.647 5.845 -7.029
112 H ASN 17 H ASN 17 -4.138 2.373 -0.059
113 HA ASN 17 HA ASN 17 -5.194 3.058 2.666
114 HB2 ASN 17 2HB ASN 17 -6.629 1.856 0.844
115 HB3 ASN 17 1HB ASN 17 -5.629 0.450 1.214
116 HD21 ASN 17 1HD2 ASN 17 -6.277 -0.787 2.992
117 HD22 ASN 17 2HD2 ASN 17 -7.377 -0.274 4.178
118 H THR 18 H THR 18 -2.997 1.031 0.771
119 HA THR 18 HA THR 18 -1.143 0.723 2.960
120 HB THR 18 HB THR 18 -2.984 -0.699 3.778
121 HG1 THR 18 1HG THR 18 -1.570 -2.109 4.406
122 HG21 THR 18 3HG2 THR 18 -3.395 -1.246 1.107
123 HG22 THR 18 1HG2 THR 18 -4.145 -2.114 2.446
124 HG23 THR 18 2HG2 THR 18 -2.679 -2.746 1.696
125 H GLY 19 H GLY 19 0.298 -1.425 2.323
126 HA2 GLY 19 2HA GLY 19 0.453 -1.909 -0.551
127 HA3 GLY 19 1HA GLY 19 1.752 -0.878 0.048
128 H SER 20 H SER 20 2.916 -2.943 -0.835
129 HA SER 20 HA SER 20 3.624 -4.585 1.523
130 HB2 SER 20 2HB SER 20 2.126 -5.507 -0.896
131 HB3 SER 20 1HB SER 20 3.332 -6.598 -0.220
132 HG SER 20 HG SER 20 2.045 -6.955 1.400
133 H CYS 21 H CYS 21 5.476 -6.162 0.792
134 HA CYS 21 HA CYS 21 7.409 -4.560 -0.772
135 HB2 CYS 21 2HB CYS 21 7.405 -6.400 1.424
136 HB3 CYS 21 1HB CYS 21 8.452 -7.050 0.164
137 H VAL 22 H VAL 22 8.299 -5.246 -2.734
138 HA VAL 22 HA VAL 22 7.373 -7.868 -3.842
139 HB VAL 22 HB VAL 22 7.218 -5.095 -5.053
140 HG11 VAL 22 1HG1 VAL 22 6.544 -7.699 -6.436
141 HG12 VAL 22 2HG1 VAL 22 8.100 -6.894 -6.634
142 HG13 VAL 22 3HG1 VAL 22 6.617 -6.087 -7.146
143 HG21 VAL 22 3HG2 VAL 22 4.802 -6.089 -5.431
144 HG22 VAL 22 1HG2 VAL 22 5.245 -5.437 -3.852
145 HG23 VAL 22 2HG2 VAL 22 5.264 -7.179 -4.123
146 H ARG 23 H ARG 23 9.267 -8.965 -4.222
147 HA ARG 23 HA ARG 23 11.466 -9.400 -4.966
148 HB2 ARG 23 2HB ARG 23 10.699 -6.975 -6.621
149 HB3 ARG 23 1HB ARG 23 12.108 -7.985 -6.944
150 HG2 ARG 23 2HG ARG 23 10.794 -9.857 -7.504
151 HG3 ARG 23 1HG ARG 23 9.362 -9.202 -6.706
152 HD2 ARG 23 2HD ARG 23 9.674 -7.254 -8.500
153 HD3 ARG 23 1HD ARG 23 10.484 -8.550 -9.403
154 HE ARG 23 HE ARG 23 7.638 -8.436 -8.791
155 HH11 ARG 23 1HH2 ARG 23 10.389 -10.460 -9.307
156 HH12 ARG 23 2HH2 ARG 23 9.452 -11.818 -9.833
157 HH21 ARG 23 1HH1 ARG 23 6.408 -10.200 -9.475
158 HH22 ARG 23 2HH1 ARG 23 7.201 -11.672 -9.928
159 H GLY 24 H GLY 24 11.698 -5.913 -5.451
160 HA2 GLY 24 2HA GLY 24 13.313 -5.639 -2.974
161 HA3 GLY 24 1HA GLY 24 14.079 -5.228 -4.510
162 H SER 25 H SER 25 10.667 -4.651 -3.975
163 HA SER 25 HA SER 25 11.185 -1.752 -3.500
164 HB2 SER 25 2HB SER 25 10.674 -2.888 -5.999
165 HB3 SER 25 1HB SER 25 9.110 -2.256 -5.493
166 HG SER 25 HG SER 25 11.517 -0.771 -5.315
167 H CYS 26 H CYS 26 8.372 -1.136 -4.092
168 HA CYS 26 HA CYS 26 6.842 -2.778 -2.147
169 HB2 CYS 26 2HB CYS 26 7.810 -1.237 -0.651
170 HB3 CYS 26 1HB CYS 26 7.762 0.075 -1.825
171 H GLN 27 H GLN 27 4.615 -2.687 -2.556
172 HA GLN 27 HA GLN 27 3.755 -0.917 -4.822
173 HB2 GLN 27 2HB GLN 27 2.901 -3.698 -3.953
174 HB3 GLN 27 1HB GLN 27 2.117 -2.787 -5.245
175 HG2 GLN 27 2HG GLN 27 5.038 -3.603 -5.171
176 HG3 GLN 27 1HG GLN 27 3.788 -4.325 -6.186
177 HE21 GLN 27 1HE2 GLN 27 2.464 -1.705 -6.735
178 HE22 GLN 27 2HE2 GLN 27 3.490 -0.883 -7.810
179 H CYS 28 H CYS 28 1.450 -0.217 -4.672
180 HA CYS 28 HA CYS 28 0.530 -0.037 -1.820
181 HB2 CYS 28 2HB CYS 28 0.190 1.931 -4.105
182 HB3 CYS 28 1HB CYS 28 -0.261 2.199 -2.420
183 H ARG 29 H ARG 29 -1.696 -0.316 -1.441
184 HA ARG 29 HA ARG 29 -3.421 -0.972 -3.798
185 HB2 ARG 29 2HB ARG 29 -2.782 -2.592 -1.331
186 HB3 ARG 29 1HB ARG 29 -4.265 -2.872 -2.244
187 HG2 ARG 29 2HG ARG 29 -1.740 -2.712 -3.813
188 HG3 ARG 29 1HG ARG 29 -1.965 -4.149 -2.815
189 HD2 ARG 29 2HD ARG 29 -4.385 -3.395 -4.314
190 HD3 ARG 29 1HD ARG 29 -3.011 -3.836 -5.349
191 HE ARG 29 HE ARG 29 -4.418 -5.639 -3.531
192 HH11 ARG 29 1HH2 ARG 29 -1.448 -4.861 -5.114
193 HH12 ARG 29 2HH2 ARG 29 -0.847 -6.482 -5.061
194 HH21 ARG 29 1HH1 ARG 29 -3.643 -7.757 -3.457
195 HH22 ARG 29 2HH1 ARG 29 -2.086 -8.120 -4.124
196 H ARG 30 H ARG 30 -5.384 0.055 -3.630
197 HA ARG 30 HA ARG 30 -6.013 1.551 -1.163
198 HB2 ARG 30 2HB ARG 30 -7.626 1.343 -3.714
199 HB3 ARG 30 1HB ARG 30 -7.563 2.688 -2.574
200 HG2 ARG 30 2HG ARG 30 -6.043 3.585 -3.998
201 HG3 ARG 30 1HG ARG 30 -4.919 2.419 -3.300
202 HD2 ARG 30 2HD ARG 30 -4.868 1.169 -5.204
203 HD3 ARG 30 1HD ARG 30 -6.627 1.288 -5.425
204 HE ARG 30 HE ARG 30 -6.279 3.213 -6.756
205 HH11 ARG 30 1HH2 ARG 30 -3.494 2.418 -4.874
206 HH12 ARG 30 2HH2 ARG 30 -2.490 3.613 -5.622
207 HH21 ARG 30 1HH1 ARG 30 -4.978 4.774 -7.739
208 HH22 ARG 30 2HH1 ARG 30 -3.328 4.945 -7.241
209 H THR 31 H THR 31 -8.884 1.448 -1.514
210 HA THR 31 HA THR 31 -9.406 -1.199 -0.257
211 HB THR 31 HB THR 31 -11.654 0.133 0.150
212 HG1 THR 31 1HG THR 31 -11.595 2.056 -0.645
213 HG21 THR 31 3HG2 THR 31 -9.027 0.936 1.431
214 HG22 THR 31 1HG2 THR 31 -10.017 -0.448 1.895
215 HG23 THR 31 2HG2 THR 31 -10.627 1.189 2.130
216 H SER 32 H SER 32 -9.221 -0.394 -3.304
217 HA SER 32 HA SER 32 -11.326 -2.216 -4.184
218 HB2 SER 32 2HB SER 32 -12.703 -0.281 -3.829
219 HB3 SER 32 1HB SER 32 -11.515 0.781 -4.580
220 HG SER 32 HG SER 32 -13.508 -0.205 -5.785
221 H GLY 33 H GLY 33 -9.515 -3.242 -5.235
222 HA2 GLY 33 2HA GLY 33 -8.707 -1.890 -7.752
223 HA3 GLY 33 1HA GLY 33 -7.427 -2.467 -6.684
Start of MODEL 11
1 H1 ALA 1 1HT ALA 1 17.598 -4.491 -0.709
2 H2 ALA 1 2HT ALA 1 16.548 -3.155 -0.684
3 H3 ALA 1 3HT ALA 1 16.039 -4.627 -1.365
4 HA ALA 1 HA ALA 1 15.860 -5.679 0.709
5 HB1 ALA 1 2HB ALA 1 17.490 -5.255 2.216
6 HB2 ALA 1 3HB ALA 1 16.908 -3.603 2.418
7 HB3 ALA 1 1HB ALA 1 18.084 -3.975 1.158
8 H CYS 2 H CYS 2 13.765 -4.652 -0.350
9 HA CYS 2 HA CYS 2 12.739 -2.197 0.824
10 HB2 CYS 2 2HB CYS 2 10.796 -2.750 -0.481
11 HB3 CYS 2 1HB CYS 2 12.188 -3.284 -1.420
12 H ASN 3 H ASN 3 11.351 -1.994 2.600
13 HA ASN 3 HA ASN 3 10.800 -4.506 4.149
14 HB2 ASN 3 2HB ASN 3 12.095 -2.006 4.765
15 HB3 ASN 3 1HB ASN 3 10.672 -2.191 5.790
16 HD21 ASN 3 1HD2 ASN 3 13.524 -4.095 4.667
17 HD22 ASN 3 2HD2 ASN 3 13.694 -4.966 6.114
18 H ASP 4 H ASP 4 8.706 -4.725 5.056
19 HA ASP 4 HA ASP 4 6.536 -3.397 3.671
20 HB2 ASP 4 2HB ASP 4 6.814 -5.279 6.020
21 HB3 ASP 4 1HB ASP 4 5.236 -4.691 5.497
22 H ARG 5 H ARG 5 8.288 -2.767 6.626
23 HA ARG 5 HA ARG 5 6.334 -1.218 8.034
24 HB2 ARG 5 2HB ARG 5 8.916 -2.132 8.394
25 HB3 ARG 5 1HB ARG 5 9.148 -0.389 8.262
26 HG2 ARG 5 2HG ARG 5 8.588 -0.335 10.458
27 HG3 ARG 5 1HG ARG 5 6.932 -0.557 9.890
28 HD2 ARG 5 2HD ARG 5 7.553 -3.116 9.911
29 HD3 ARG 5 1HD ARG 5 8.818 -2.596 11.042
30 HE ARG 5 HE ARG 5 6.309 -1.368 11.732
31 HH11 ARG 5 1HH2 ARG 5 8.065 -4.342 11.798
32 HH12 ARG 5 2HH2 ARG 5 7.242 -4.945 13.196
33 HH21 ARG 5 1HH1 ARG 5 5.229 -2.146 13.556
34 HH22 ARG 5 2HH1 ARG 5 5.638 -3.704 14.190
35 H ASP 6 H ASP 6 9.161 0.002 6.193
36 HA ASP 6 HA ASP 6 8.145 2.703 6.059
37 HB2 ASP 6 2HB ASP 6 10.094 2.997 4.583
38 HB3 ASP 6 1HB ASP 6 10.533 2.009 5.977
39 H CYS 7 H CYS 7 7.767 -0.147 4.045
40 HA CYS 7 HA CYS 7 6.981 1.152 1.604
41 HB2 CYS 7 2HB CYS 7 7.672 -1.237 1.922
42 HB3 CYS 7 1HB CYS 7 6.149 -1.531 2.758
43 H SER 8 H SER 8 4.964 -0.377 4.154
44 HA SER 8 HA SER 8 2.446 0.488 3.146
45 HB2 SER 8 2HB SER 8 1.661 -0.191 5.316
46 HB3 SER 8 1HB SER 8 3.030 -1.235 4.940
47 HG SER 8 HG SER 8 3.933 -0.471 6.664
48 H LEU 9 H LEU 9 4.406 1.929 5.794
49 HA LEU 9 HA LEU 9 2.897 4.181 6.394
50 HB2 LEU 9 2HB LEU 9 5.658 3.301 6.533
51 HB3 LEU 9 1HB LEU 9 5.574 5.041 6.256
52 HG LEU 9 HG LEU 9 3.639 4.080 8.244
53 HD11 LEU 9 1HD1 LEU 9 6.090 2.830 8.391
54 HD12 LEU 9 2HD1 LEU 9 5.023 3.116 9.765
55 HD13 LEU 9 3HD1 LEU 9 6.333 4.244 9.417
56 HD21 LEU 9 3HD2 LEU 9 4.178 6.112 9.286
57 HD22 LEU 9 1HD2 LEU 9 4.462 6.480 7.585
58 HD23 LEU 9 2HD2 LEU 9 5.821 6.115 8.647
59 H ASP 10 H ASP 10 5.220 3.850 3.698
60 HA ASP 10 HA ASP 10 4.771 6.518 2.661
61 HB2 ASP 10 2HB ASP 10 6.626 4.556 2.356
62 HB3 ASP 10 1HB ASP 10 5.680 4.314 0.886
63 H CYS 11 H CYS 11 3.349 3.331 2.047
64 HA CYS 11 HA CYS 11 1.902 4.003 -0.339
65 HB2 CYS 11 2HB CYS 11 1.777 1.935 1.836
66 HB3 CYS 11 1HB CYS 11 0.463 2.015 0.665
67 H ILE 12 H ILE 12 0.780 3.793 3.063
68 HA ILE 12 HA ILE 12 -1.835 4.847 2.581
69 HB ILE 12 HB ILE 12 0.014 4.647 4.962
70 HG12 ILE 12 2HG1 ILE 12 -2.456 3.248 5.231
71 HG13 ILE 12 1HG1 ILE 12 -1.835 2.915 3.613
72 HG21 ILE 12 1HG2 ILE 12 -1.429 6.595 5.342
73 HG22 ILE 12 2HG2 ILE 12 -1.942 5.256 6.369
74 HG23 ILE 12 3HG2 ILE 12 -2.851 5.645 4.909
75 HD11 ILE 12 3HD1 ILE 12 -0.846 1.262 5.015
76 HD12 ILE 12 1HD1 ILE 12 -0.461 2.447 6.264
77 HD13 ILE 12 2HD1 ILE 12 0.421 2.456 4.737
78 H MET 13 H MET 13 1.283 6.392 3.089
79 HA MET 13 HA MET 13 0.312 9.033 3.721
80 HB2 MET 13 2HB MET 13 2.818 7.651 3.009
81 HB3 MET 13 1HB MET 13 2.770 9.342 2.514
82 HG2 MET 13 2HG MET 13 1.786 8.741 5.253
83 HG3 MET 13 1HG MET 13 3.522 8.579 4.989
84 HE1 MET 13 3HE MET 13 4.749 11.812 3.707
85 HE2 MET 13 1HE MET 13 4.815 10.044 3.690
86 HE3 MET 13 2HE MET 13 5.140 10.927 5.179
87 H LYS 14 H LYS 14 1.551 7.642 0.653
88 HA LYS 14 HA LYS 14 1.174 9.808 -1.063
89 HB2 LYS 14 2HB LYS 14 0.677 6.841 -1.457
90 HB3 LYS 14 1HB LYS 14 0.826 7.997 -2.780
91 HG2 LYS 14 2HG LYS 14 3.091 8.483 -2.246
92 HG3 LYS 14 1HG LYS 14 2.961 7.715 -0.662
93 HD2 LYS 14 2HD LYS 14 2.451 5.543 -1.942
94 HD3 LYS 14 1HD LYS 14 3.032 6.391 -3.376
95 HE2 LYS 14 2HE LYS 14 4.581 5.758 -0.846
96 HE3 LYS 14 1HE LYS 14 4.960 5.273 -2.511
97 HZ1 LYS 14 3HZ LYS 14 4.822 7.849 -2.889
98 HZ2 LYS 14 1HZ LYS 14 6.256 7.131 -2.338
99 HZ3 LYS 14 2HZ LYS 14 5.218 7.903 -1.237
100 H GLY 15 H GLY 15 -1.233 7.180 -0.675
101 HA2 GLY 15 2HA GLY 15 -3.513 8.553 -0.045
102 HA3 GLY 15 1HA GLY 15 -3.332 8.874 -1.767
103 H TYR 16 H TYR 16 -2.407 5.852 -0.173
104 HA TYR 16 HA TYR 16 -4.469 4.461 -1.835
105 HB2 TYR 16 2HB TYR 16 -1.770 3.625 -0.727
106 HB3 TYR 16 1HB TYR 16 -2.832 2.577 -1.658
107 HD1 TYR 16 2HD TYR 16 -3.770 3.797 -3.907
108 HD2 TYR 16 1HD TYR 16 -0.066 4.669 -1.915
109 HE1 TYR 16 2HE TYR 16 -2.862 4.746 -6.011
110 HE2 TYR 16 1HE TYR 16 0.842 5.616 -4.019
111 HH TYR 16 HH TYR 16 0.506 5.657 -6.312
112 H ASN 17 H ASN 17 -4.054 1.960 -0.400
113 HA ASN 17 HA ASN 17 -5.354 2.635 2.223
114 HB2 ASN 17 2HB ASN 17 -6.790 1.640 0.405
115 HB3 ASN 17 1HB ASN 17 -5.760 0.209 0.444
116 HD21 ASN 17 1HD2 ASN 17 -6.063 -1.294 2.167
117 HD22 ASN 17 2HD2 ASN 17 -7.240 -1.096 3.374
118 H THR 18 H THR 18 -3.051 0.595 0.499
119 HA THR 18 HA THR 18 -1.470 0.091 2.857
120 HB THR 18 HB THR 18 -3.483 -1.288 3.343
121 HG1 THR 18 1HG THR 18 -1.627 -2.121 4.151
122 HG21 THR 18 3HG2 THR 18 -2.755 -3.099 1.071
123 HG22 THR 18 1HG2 THR 18 -3.754 -1.681 0.744
124 HG23 THR 18 2HG2 THR 18 -4.304 -2.903 1.891
125 H GLY 19 H GLY 19 0.340 -1.458 2.330
126 HA2 GLY 19 2HA GLY 19 0.615 -2.251 -0.489
127 HA3 GLY 19 1HA GLY 19 1.729 -0.990 0.042
128 H SER 20 H SER 20 3.078 -3.078 -0.708
129 HA SER 20 HA SER 20 4.217 -4.175 1.756
130 HB2 SER 20 2HB SER 20 2.257 -5.621 0.094
131 HB3 SER 20 1HB SER 20 3.725 -6.537 0.425
132 HG SER 20 HG SER 20 1.849 -6.528 2.011
133 H CYS 21 H CYS 21 5.902 -6.018 0.936
134 HA CYS 21 HA CYS 21 7.599 -4.664 -1.035
135 HB2 CYS 21 2HB CYS 21 7.761 -6.792 1.002
136 HB3 CYS 21 1HB CYS 21 8.791 -7.060 -0.406
137 H VAL 22 H VAL 22 7.946 -5.336 -3.151
138 HA VAL 22 HA VAL 22 6.675 -7.902 -4.029
139 HB VAL 22 HB VAL 22 6.418 -5.113 -5.185
140 HG11 VAL 22 1HG1 VAL 22 6.842 -6.736 -7.001
141 HG12 VAL 22 2HG1 VAL 22 5.175 -6.163 -7.041
142 HG13 VAL 22 3HG1 VAL 22 5.543 -7.758 -6.387
143 HG21 VAL 22 3HG2 VAL 22 4.561 -5.193 -3.887
144 HG22 VAL 22 1HG2 VAL 22 4.745 -6.923 -3.598
145 HG23 VAL 22 2HG2 VAL 22 3.935 -6.352 -5.058
146 H ARG 23 H ARG 23 8.254 -9.119 -4.987
147 HA ARG 23 HA ARG 23 10.269 -9.663 -6.105
148 HB2 ARG 23 2HB ARG 23 8.981 -7.363 -7.540
149 HB3 ARG 23 1HB ARG 23 10.557 -7.931 -8.092
150 HG2 ARG 23 2HG ARG 23 9.364 -10.308 -7.882
151 HG3 ARG 23 1HG ARG 23 7.917 -9.330 -8.129
152 HD2 ARG 23 2HD ARG 23 9.202 -8.284 -10.127
153 HD3 ARG 23 1HD ARG 23 10.276 -9.690 -9.981
154 HE ARG 23 HE ARG 23 7.437 -10.391 -9.939
155 HH11 ARG 23 1HH2 ARG 23 10.240 -9.750 -11.854
156 HH12 ARG 23 2HH2 ARG 23 9.684 -10.675 -13.208
157 HH21 ARG 23 1HH1 ARG 23 6.704 -11.599 -11.699
158 HH22 ARG 23 2HH1 ARG 23 7.685 -11.721 -13.121
159 H GLY 24 H GLY 24 10.481 -7.893 -3.734
160 HA2 GLY 24 2HA GLY 24 12.361 -6.916 -2.671
161 HA3 GLY 24 1HA GLY 24 13.206 -6.928 -4.220
162 H SER 25 H SER 25 9.997 -5.549 -3.823
163 HA SER 25 HA SER 25 11.173 -2.801 -3.979
164 HB2 SER 25 2HB SER 25 8.844 -3.792 -5.639
165 HB3 SER 25 1HB SER 25 9.757 -2.301 -5.849
166 HG SER 25 HG SER 25 10.276 -4.811 -6.752
167 H CYS 26 H CYS 26 8.508 -1.646 -4.356
168 HA CYS 26 HA CYS 26 6.969 -2.507 -1.970
169 HB2 CYS 26 2HB CYS 26 8.594 -1.037 -0.999
170 HB3 CYS 26 1HB CYS 26 8.424 0.125 -2.314
171 H GLN 27 H GLN 27 4.903 -2.561 -2.765
172 HA GLN 27 HA GLN 27 4.056 -0.390 -4.657
173 HB2 GLN 27 2HB GLN 27 3.723 -3.348 -4.568
174 HB3 GLN 27 1HB GLN 27 2.336 -2.419 -5.141
175 HG2 GLN 27 2HG GLN 27 4.013 -1.189 -6.662
176 HG3 GLN 27 1HG GLN 27 5.129 -2.502 -6.283
177 HE21 GLN 27 1HE2 GLN 27 3.132 -1.627 -8.694
178 HE22 GLN 27 2HE2 GLN 27 2.557 -3.141 -9.199
179 H CYS 28 H CYS 28 1.693 0.137 -4.485
180 HA CYS 28 HA CYS 28 0.684 -0.252 -1.683
181 HB2 CYS 28 2HB CYS 28 0.264 2.076 -3.583
182 HB3 CYS 28 1HB CYS 28 -0.213 2.007 -1.888
183 H ARG 29 H ARG 29 -1.783 0.041 -1.599
184 HA ARG 29 HA ARG 29 -3.196 -0.707 -4.101
185 HB2 ARG 29 2HB ARG 29 -2.935 -2.398 -1.602
186 HB3 ARG 29 1HB ARG 29 -4.200 -2.669 -2.801
187 HG2 ARG 29 2HG ARG 29 -2.043 -2.538 -4.433
188 HG3 ARG 29 1HG ARG 29 -1.286 -3.194 -2.980
189 HD2 ARG 29 2HD ARG 29 -3.834 -4.361 -4.136
190 HD3 ARG 29 1HD ARG 29 -2.220 -4.945 -4.588
191 HE ARG 29 HE ARG 29 -2.084 -4.918 -1.849
192 HH11 ARG 29 1HH2 ARG 29 -4.361 -6.157 -4.133
193 HH12 ARG 29 2HH2 ARG 29 -4.865 -7.462 -3.116
194 HH21 ARG 29 1HH1 ARG 29 -2.736 -6.618 -0.515
195 HH22 ARG 29 2HH1 ARG 29 -3.948 -7.724 -1.070
196 H ARG 30 H ARG 30 -5.294 0.099 -4.086
197 HA ARG 30 HA ARG 30 -6.124 1.678 -1.723
198 HB2 ARG 30 2HB ARG 30 -6.801 1.452 -4.626
199 HB3 ARG 30 1HB ARG 30 -8.035 2.108 -3.548
200 HG2 ARG 30 2HG ARG 30 -5.334 3.191 -3.087
201 HG3 ARG 30 1HG ARG 30 -6.010 3.586 -4.667
202 HD2 ARG 30 2HD ARG 30 -7.591 3.957 -2.108
203 HD3 ARG 30 1HD ARG 30 -6.575 5.240 -2.797
204 HE ARG 30 HE ARG 30 -8.077 4.321 -4.951
205 HH11 ARG 30 1HH2 ARG 30 -8.711 5.551 -1.786
206 HH12 ARG 30 2HH2 ARG 30 -10.226 6.265 -2.226
207 HH21 ARG 30 1HH1 ARG 30 -10.052 5.246 -5.535
208 HH22 ARG 30 2HH1 ARG 30 -10.985 6.090 -4.346
209 H THR 31 H THR 31 -8.816 1.554 -1.709
210 HA THR 31 HA THR 31 -9.432 -1.343 -1.222
211 HB THR 31 HB THR 31 -9.207 0.061 0.803
212 HG1 THR 31 1HG THR 31 -10.704 -1.421 1.172
213 HG21 THR 31 3HG2 THR 31 -10.502 1.976 -0.845
214 HG22 THR 31 1HG2 THR 31 -9.924 2.190 0.806
215 HG23 THR 31 2HG2 THR 31 -11.578 1.655 0.514
216 H SER 32 H SER 32 -9.885 0.429 -3.671
217 HA SER 32 HA SER 32 -12.834 0.687 -3.748
218 HB2 SER 32 2HB SER 32 -12.384 1.845 -5.819
219 HB3 SER 32 1HB SER 32 -11.154 2.358 -4.667
220 HG SER 32 HG SER 32 -10.537 1.589 -6.913
221 H GLY 33 H GLY 33 -14.105 -0.452 -5.363
222 HA2 GLY 33 2HA GLY 33 -12.898 -2.546 -6.990
223 HA3 GLY 33 1HA GLY 33 -13.781 -3.186 -5.602
Start of MODEL 12
1 H1 ALA 1 1HT ALA 1 15.613 -4.196 -0.986
2 H2 ALA 1 2HT ALA 1 17.163 -3.546 -0.744
3 H3 ALA 1 3HT ALA 1 15.830 -2.515 -0.956
4 HA ALA 1 HA ALA 1 16.055 -4.405 1.325
5 HB1 ALA 1 2HB ALA 1 17.945 -2.720 1.062
6 HB2 ALA 1 3HB ALA 1 17.020 -2.569 2.556
7 HB3 ALA 1 1HB ALA 1 16.730 -1.452 1.224
8 H CYS 2 H CYS 2 13.696 -3.994 -0.199
9 HA CYS 2 HA CYS 2 12.121 -1.801 0.877
10 HB2 CYS 2 2HB CYS 2 10.444 -2.691 -0.534
11 HB3 CYS 2 1HB CYS 2 11.939 -3.146 -1.345
12 H ASN 3 H ASN 3 10.844 -1.816 2.719
13 HA ASN 3 HA ASN 3 10.647 -4.410 4.220
14 HB2 ASN 3 2HB ASN 3 10.854 -1.551 5.223
15 HB3 ASN 3 1HB ASN 3 10.768 -2.987 6.241
16 HD21 ASN 3 1HD2 ASN 3 13.004 -1.768 6.838
17 HD22 ASN 3 2HD2 ASN 3 14.365 -2.373 6.022
18 H ASP 4 H ASP 4 8.592 -4.989 4.917
19 HA ASP 4 HA ASP 4 6.257 -3.854 3.768
20 HB2 ASP 4 2HB ASP 4 6.507 -6.142 4.701
21 HB3 ASP 4 1HB ASP 4 6.608 -5.459 6.324
22 H ARG 5 H ARG 5 8.037 -3.012 6.667
23 HA ARG 5 HA ARG 5 5.927 -1.477 7.943
24 HB2 ARG 5 2HB ARG 5 8.592 -2.365 8.429
25 HB3 ARG 5 1HB ARG 5 8.581 -0.614 8.636
26 HG2 ARG 5 2HG ARG 5 7.550 -0.842 10.621
27 HG3 ARG 5 1HG ARG 5 6.208 -1.675 9.837
28 HD2 ARG 5 2HD ARG 5 7.106 -3.799 10.258
29 HD3 ARG 5 1HD ARG 5 8.759 -3.173 10.415
30 HE ARG 5 HE ARG 5 7.320 -1.890 12.431
31 HH11 ARG 5 1HH2 ARG 5 7.979 -5.139 11.459
32 HH12 ARG 5 2HH2 ARG 5 7.901 -5.773 13.069
33 HH21 ARG 5 1HH1 ARG 5 7.215 -2.705 14.531
34 HH22 ARG 5 2HH1 ARG 5 7.470 -4.396 14.806
35 H ASP 6 H ASP 6 8.934 -0.446 6.269
36 HA ASP 6 HA ASP 6 8.118 2.324 6.090
37 HB2 ASP 6 2HB ASP 6 10.152 0.776 4.452
38 HB3 ASP 6 1HB ASP 6 10.156 2.508 4.784
39 H CYS 7 H CYS 7 7.666 -0.514 4.072
40 HA CYS 7 HA CYS 7 7.022 0.810 1.601
41 HB2 CYS 7 2HB CYS 7 7.599 -1.577 1.841
42 HB3 CYS 7 1HB CYS 7 6.137 -1.844 2.791
43 H SER 8 H SER 8 4.877 -0.585 4.122
44 HA SER 8 HA SER 8 2.416 0.343 3.034
45 HB2 SER 8 2HB SER 8 1.746 0.129 5.524
46 HB3 SER 8 1HB SER 8 2.409 -1.307 4.748
47 HG SER 8 HG SER 8 3.530 0.406 6.651
48 H LEU 9 H LEU 9 4.422 1.803 5.632
49 HA LEU 9 HA LEU 9 2.991 4.131 6.150
50 HB2 LEU 9 2HB LEU 9 5.706 3.140 6.356
51 HB3 LEU 9 1HB LEU 9 5.711 4.867 5.999
52 HG LEU 9 HG LEU 9 3.701 4.132 7.997
53 HD11 LEU 9 1HD1 LEU 9 4.962 2.765 9.272
54 HD12 LEU 9 2HD1 LEU 9 6.052 4.126 9.534
55 HD13 LEU 9 3HD1 LEU 9 6.361 2.989 8.222
56 HD21 LEU 9 3HD2 LEU 9 5.018 5.993 9.207
57 HD22 LEU 9 1HD2 LEU 9 4.223 6.431 7.697
58 HD23 LEU 9 2HD2 LEU 9 5.958 6.124 7.721
59 H ASP 10 H ASP 10 5.497 3.764 3.610
60 HA ASP 10 HA ASP 10 5.124 6.339 2.422
61 HB2 ASP 10 2HB ASP 10 6.853 4.262 2.178
62 HB3 ASP 10 1HB ASP 10 5.878 4.011 0.729
63 H CYS 11 H CYS 11 3.519 3.220 1.918
64 HA CYS 11 HA CYS 11 2.065 3.947 -0.463
65 HB2 CYS 11 2HB CYS 11 1.899 1.868 1.704
66 HB3 CYS 11 1HB CYS 11 0.596 1.990 0.521
67 H ILE 12 H ILE 12 0.839 3.542 2.889
68 HA ILE 12 HA ILE 12 -1.688 4.742 2.512
69 HB ILE 12 HB ILE 12 0.178 4.726 4.908
70 HG12 ILE 12 2HG1 ILE 12 -2.153 2.884 4.363
71 HG13 ILE 12 1HG1 ILE 12 -0.541 2.524 3.746
72 HG21 ILE 12 1HG2 ILE 12 -2.000 4.878 6.189
73 HG22 ILE 12 2HG2 ILE 12 -2.795 5.258 4.661
74 HG23 ILE 12 3HG2 ILE 12 -1.565 6.344 5.309
75 HD11 ILE 12 3HD1 ILE 12 0.382 2.553 5.995
76 HD12 ILE 12 1HD1 ILE 12 -1.000 1.458 5.966
77 HD13 ILE 12 2HD1 ILE 12 -1.167 3.071 6.660
78 H MET 13 H MET 13 1.463 6.200 2.673
79 HA MET 13 HA MET 13 0.550 8.881 3.392
80 HB2 MET 13 2HB MET 13 3.041 7.437 2.689
81 HB3 MET 13 1HB MET 13 3.031 9.154 2.282
82 HG2 MET 13 2HG MET 13 2.052 9.409 4.724
83 HG3 MET 13 1HG MET 13 2.825 7.844 4.971
84 HE1 MET 13 3HE MET 13 5.681 9.548 6.595
85 HE2 MET 13 1HE MET 13 4.860 8.006 6.314
86 HE3 MET 13 2HE MET 13 3.950 9.402 6.888
87 H LYS 14 H LYS 14 1.346 7.157 0.386
88 HA LYS 14 HA LYS 14 1.274 9.385 -1.396
89 HB2 LYS 14 2HB LYS 14 0.699 6.427 -1.658
90 HB3 LYS 14 1HB LYS 14 0.752 7.508 -3.051
91 HG2 LYS 14 2HG LYS 14 3.049 8.118 -2.548
92 HG3 LYS 14 1HG LYS 14 3.005 7.185 -1.054
93 HD2 LYS 14 2HD LYS 14 2.799 5.113 -2.258
94 HD3 LYS 14 1HD LYS 14 2.545 5.960 -3.784
95 HE2 LYS 14 2HE LYS 14 4.947 7.025 -2.958
96 HE3 LYS 14 1HE LYS 14 5.070 5.344 -2.397
97 HZ1 LYS 14 3HZ LYS 14 5.755 5.437 -4.682
98 HZ2 LYS 14 1HZ LYS 14 4.340 6.257 -5.129
99 HZ3 LYS 14 2HZ LYS 14 4.254 4.643 -4.605
100 H GLY 15 H GLY 15 -1.312 7.374 -0.043
101 HA2 GLY 15 2HA GLY 15 -3.463 8.810 0.126
102 HA3 GLY 15 1HA GLY 15 -3.286 8.920 -1.620
103 H TYR 16 H TYR 16 -2.173 5.911 -0.751
104 HA TYR 16 HA TYR 16 -4.648 4.634 -1.719
105 HB2 TYR 16 2HB TYR 16 -1.902 3.587 -0.958
106 HB3 TYR 16 1HB TYR 16 -3.154 2.649 -1.767
107 HD1 TYR 16 2HD TYR 16 -0.813 5.481 -2.108
108 HD2 TYR 16 1HD TYR 16 -3.685 2.994 -4.105
109 HE1 TYR 16 2HE TYR 16 -0.065 6.379 -4.295
110 HE2 TYR 16 1HE TYR 16 -2.940 3.892 -6.294
111 HH TYR 16 HH TYR 16 -0.944 6.644 -6.568
112 H ASN 17 H ASN 17 -4.072 2.137 -0.227
113 HA ASN 17 HA ASN 17 -5.065 2.982 2.477
114 HB2 ASN 17 2HB ASN 17 -6.814 1.961 1.168
115 HB3 ASN 17 1HB ASN 17 -5.749 0.644 0.673
116 HD21 ASN 17 1HD2 ASN 17 -6.883 2.132 3.771
117 HD22 ASN 17 2HD2 ASN 17 -7.099 0.648 4.568
118 H THR 18 H THR 18 -2.884 0.903 0.665
119 HA THR 18 HA THR 18 -1.177 0.466 2.958
120 HB THR 18 HB THR 18 -3.143 -0.957 3.527
121 HG1 THR 18 1HG THR 18 -1.907 -2.640 4.100
122 HG21 THR 18 3HG2 THR 18 -3.396 -3.051 2.068
123 HG22 THR 18 1HG2 THR 18 -2.467 -2.178 0.849
124 HG23 THR 18 2HG2 THR 18 -4.019 -1.544 1.396
125 H GLY 19 H GLY 19 0.271 -1.677 2.309
126 HA2 GLY 19 2HA GLY 19 0.600 -2.118 -0.535
127 HA3 GLY 19 1HA GLY 19 1.818 -1.006 0.091
128 H SER 20 H SER 20 3.092 -3.045 -0.749
129 HA SER 20 HA SER 20 4.004 -4.494 1.626
130 HB2 SER 20 2HB SER 20 2.760 -6.050 -0.657
131 HB3 SER 20 1HB SER 20 3.306 -6.682 0.894
132 HG SER 20 HG SER 20 1.407 -6.211 1.636
133 H CYS 21 H CYS 21 5.803 -6.085 0.934
134 HA CYS 21 HA CYS 21 7.541 -4.751 -1.014
135 HB2 CYS 21 2HB CYS 21 7.670 -6.799 1.108
136 HB3 CYS 21 1HB CYS 21 8.780 -7.077 -0.235
137 H VAL 22 H VAL 22 7.791 -5.370 -3.134
138 HA VAL 22 HA VAL 22 6.613 -8.002 -3.968
139 HB VAL 22 HB VAL 22 6.871 -5.416 -5.535
140 HG11 VAL 22 1HG1 VAL 22 6.048 -8.161 -6.169
141 HG12 VAL 22 2HG1 VAL 22 6.486 -6.842 -7.255
142 HG13 VAL 22 3HG1 VAL 22 4.845 -6.953 -6.619
143 HG21 VAL 22 3HG2 VAL 22 4.233 -5.670 -5.178
144 HG22 VAL 22 1HG2 VAL 22 5.240 -4.823 -4.004
145 HG23 VAL 22 2HG2 VAL 22 4.760 -6.495 -3.712
146 H ARG 23 H ARG 23 8.390 -9.331 -4.260
147 HA ARG 23 HA ARG 23 10.403 -10.122 -5.214
148 HB2 ARG 23 2HB ARG 23 9.281 -8.065 -6.989
149 HB3 ARG 23 1HB ARG 23 11.023 -8.275 -7.175
150 HG2 ARG 23 2HG ARG 23 10.698 -10.710 -7.454
151 HG3 ARG 23 1HG ARG 23 8.956 -10.491 -7.291
152 HD2 ARG 23 2HD ARG 23 9.346 -8.727 -9.258
153 HD3 ARG 23 1HD ARG 23 10.742 -9.772 -9.580
154 HE ARG 23 HE ARG 23 8.419 -11.385 -9.069
155 HH11 ARG 23 1HH2 ARG 23 9.889 -9.306 -11.404
156 HH12 ARG 23 2HH2 ARG 23 9.132 -10.077 -12.755
157 HH21 ARG 23 1HH1 ARG 23 7.427 -12.396 -10.826
158 HH22 ARG 23 2HH1 ARG 23 7.740 -11.824 -12.429
159 H GLY 24 H GLY 24 10.884 -6.638 -5.732
160 HA2 GLY 24 2HA GLY 24 12.784 -6.512 -3.476
161 HA3 GLY 24 1HA GLY 24 13.476 -6.280 -5.083
162 H SER 25 H SER 25 10.244 -5.192 -4.158
163 HA SER 25 HA SER 25 11.210 -2.384 -3.959
164 HB2 SER 25 2HB SER 25 9.093 -3.306 -5.925
165 HB3 SER 25 1HB SER 25 9.758 -1.682 -5.776
166 HG SER 25 HG SER 25 10.880 -2.632 -7.403
167 H CYS 26 H CYS 26 8.506 -1.344 -4.304
168 HA CYS 26 HA CYS 26 6.945 -2.647 -2.131
169 HB2 CYS 26 2HB CYS 26 8.337 -1.146 -0.911
170 HB3 CYS 26 1HB CYS 26 8.180 0.113 -2.134
171 H GLN 27 H GLN 27 4.805 -2.611 -2.703
172 HA GLN 27 HA GLN 27 3.919 -0.573 -4.723
173 HB2 GLN 27 2HB GLN 27 3.760 -3.468 -4.528
174 HB3 GLN 27 1HB GLN 27 2.152 -2.761 -4.685
175 HG2 GLN 27 2HG GLN 27 2.604 -2.711 -6.909
176 HG3 GLN 27 1HG GLN 27 3.589 -1.301 -6.518
177 HE21 GLN 27 1HE2 GLN 27 3.700 -4.580 -7.648
178 HE22 GLN 27 2HE2 GLN 27 5.391 -4.718 -7.722
179 H CYS 28 H CYS 28 1.513 -0.078 -4.520
180 HA CYS 28 HA CYS 28 0.616 -0.197 -1.657
181 HB2 CYS 28 2HB CYS 28 0.296 2.090 -3.626
182 HB3 CYS 28 1HB CYS 28 -0.109 2.113 -1.909
183 H ARG 29 H ARG 29 -1.725 -0.173 -1.394
184 HA ARG 29 HA ARG 29 -3.278 -0.791 -3.883
185 HB2 ARG 29 2HB ARG 29 -2.752 -2.374 -1.426
186 HB3 ARG 29 1HB ARG 29 -4.420 -2.394 -2.001
187 HG2 ARG 29 2HG ARG 29 -3.806 -3.290 -4.105
188 HG3 ARG 29 1HG ARG 29 -2.106 -2.878 -3.877
189 HD2 ARG 29 2HD ARG 29 -3.018 -4.590 -1.717
190 HD3 ARG 29 1HD ARG 29 -3.309 -5.355 -3.292
191 HE ARG 29 HE ARG 29 -0.692 -4.760 -2.157
192 HH11 ARG 29 1HH2 ARG 29 -2.574 -5.066 -5.037
193 HH12 ARG 29 2HH2 ARG 29 -1.215 -5.451 -6.038
194 HH21 ARG 29 1HH1 ARG 29 1.087 -5.263 -3.454
195 HH22 ARG 29 2HH1 ARG 29 0.854 -5.563 -5.144
196 H ARG 30 H ARG 30 -5.444 -0.041 -3.827
197 HA ARG 30 HA ARG 30 -6.018 2.017 -1.787
198 HB2 ARG 30 2HB ARG 30 -6.775 1.314 -4.525
199 HB3 ARG 30 1HB ARG 30 -8.164 1.797 -3.552
200 HG2 ARG 30 2HG ARG 30 -6.088 3.603 -2.902
201 HG3 ARG 30 1HG ARG 30 -6.078 3.453 -4.659
202 HD2 ARG 30 2HD ARG 30 -8.123 4.464 -4.882
203 HD3 ARG 30 1HD ARG 30 -8.765 3.705 -3.411
204 HE ARG 30 HE ARG 30 -6.724 5.476 -2.589
205 HH11 ARG 30 1HH2 ARG 30 -9.792 5.548 -4.175
206 HH12 ARG 30 2HH2 ARG 30 -10.196 7.131 -3.600
207 HH21 ARG 30 1HH1 ARG 30 -7.242 7.539 -1.834
208 HH22 ARG 30 2HH1 ARG 30 -8.755 8.256 -2.277
209 H THR 31 H THR 31 -8.361 2.046 -0.935
210 HA THR 31 HA THR 31 -8.976 -0.632 0.185
211 HB THR 31 HB THR 31 -8.733 1.381 1.618
212 HG1 THR 31 1HG THR 31 -10.090 0.027 2.564
213 HG21 THR 31 3HG2 THR 31 -9.483 3.316 0.732
214 HG22 THR 31 1HG2 THR 31 -11.095 2.788 1.210
215 HG23 THR 31 2HG2 THR 31 -10.513 2.471 -0.423
216 H SER 32 H SER 32 -10.045 1.414 -2.343
217 HA SER 32 HA SER 32 -12.273 -0.386 -2.967
218 HB2 SER 32 2HB SER 32 -12.596 2.177 -1.540
219 HB3 SER 32 1HB SER 32 -13.652 1.993 -2.938
220 HG SER 32 HG SER 32 -14.771 0.958 -1.433
221 H GLY 33 H GLY 33 -10.590 -0.348 -4.810
222 HA2 GLY 33 2HA GLY 33 -11.225 0.391 -7.209
223 HA3 GLY 33 1HA GLY 33 -10.989 2.022 -6.582
Start of MODEL 13
1 H1 ALA 1 1HT ALA 1 14.278 0.985 1.194
2 H2 ALA 1 2HT ALA 1 15.055 0.873 2.700
3 H3 ALA 1 3HT ALA 1 13.382 1.156 2.623
4 HA ALA 1 HA ALA 1 14.638 -1.317 1.559
5 HB1 ALA 1 2HB ALA 1 13.535 -2.094 3.865
6 HB2 ALA 1 3HB ALA 1 13.855 -0.416 4.304
7 HB3 ALA 1 1HB ALA 1 15.182 -1.468 3.810
8 H CYS 2 H CYS 2 13.007 -2.891 1.049
9 HA CYS 2 HA CYS 2 10.394 -1.732 0.357
10 HB2 CYS 2 2HB CYS 2 10.250 -3.616 -1.055
11 HB3 CYS 2 1HB CYS 2 11.978 -3.307 -0.994
12 H ASN 3 H ASN 3 11.668 -3.125 3.105
13 HA ASN 3 HA ASN 3 10.045 -5.079 4.123
14 HB2 ASN 3 2HB ASN 3 11.659 -2.936 5.084
15 HB3 ASN 3 1HB ASN 3 10.188 -2.958 6.057
16 HD21 ASN 3 1HD2 ASN 3 13.251 -4.372 5.782
17 HD22 ASN 3 2HD2 ASN 3 12.972 -5.764 6.711
18 H ASP 4 H ASP 4 7.925 -5.242 4.951
19 HA ASP 4 HA ASP 4 5.853 -3.690 3.816
20 HB2 ASP 4 2HB ASP 4 4.544 -4.751 5.765
21 HB3 ASP 4 1HB ASP 4 5.406 -5.860 4.698
22 H ARG 5 H ARG 5 7.735 -3.182 6.753
23 HA ARG 5 HA ARG 5 6.039 -1.266 8.040
24 HB2 ARG 5 2HB ARG 5 8.761 -2.321 8.189
25 HB3 ARG 5 1HB ARG 5 8.693 -0.610 8.618
26 HG2 ARG 5 2HG ARG 5 6.630 -2.463 9.760
27 HG3 ARG 5 1HG ARG 5 8.251 -2.465 10.454
28 HD2 ARG 5 2HD ARG 5 6.562 0.034 10.081
29 HD3 ARG 5 1HD ARG 5 6.739 -0.843 11.613
30 HE ARG 5 HE ARG 5 9.346 -0.477 10.856
31 HH11 ARG 5 1HH2 ARG 5 6.599 1.606 11.089
32 HH12 ARG 5 2HH2 ARG 5 7.538 3.016 11.444
33 HH21 ARG 5 1HH1 ARG 5 10.579 1.356 11.322
34 HH22 ARG 5 2HH1 ARG 5 9.787 2.876 11.577
35 H ASP 6 H ASP 6 8.851 -0.792 5.868
36 HA ASP 6 HA ASP 6 8.403 2.089 5.672
37 HB2 ASP 6 2HB ASP 6 10.168 0.058 4.278
38 HB3 ASP 6 1HB ASP 6 10.231 1.783 3.914
39 H CYS 7 H CYS 7 7.664 -0.777 3.724
40 HA CYS 7 HA CYS 7 6.830 0.587 1.336
41 HB2 CYS 7 2HB CYS 7 7.409 -1.842 1.617
42 HB3 CYS 7 1HB CYS 7 5.902 -2.057 2.508
43 H SER 8 H SER 8 4.972 -0.669 4.133
44 HA SER 8 HA SER 8 2.402 0.232 3.231
45 HB2 SER 8 2HB SER 8 1.798 -0.198 5.581
46 HB3 SER 8 1HB SER 8 2.864 -1.468 4.989
47 HG SER 8 HG SER 8 3.366 -0.455 7.105
48 H LEU 9 H LEU 9 4.702 1.676 5.577
49 HA LEU 9 HA LEU 9 3.306 4.030 6.208
50 HB2 LEU 9 2HB LEU 9 5.987 2.955 6.325
51 HB3 LEU 9 1HB LEU 9 6.047 4.672 5.926
52 HG LEU 9 HG LEU 9 4.267 3.691 8.147
53 HD11 LEU 9 1HD1 LEU 9 6.001 3.717 9.715
54 HD12 LEU 9 2HD1 LEU 9 7.059 4.672 8.677
55 HD13 LEU 9 3HD1 LEU 9 6.788 2.965 8.327
56 HD21 LEU 9 3HD2 LEU 9 5.430 6.270 7.175
57 HD22 LEU 9 1HD2 LEU 9 5.170 6.090 8.911
58 HD23 LEU 9 2HD2 LEU 9 3.814 5.932 7.796
59 H ASP 10 H ASP 10 5.670 3.570 3.553
60 HA ASP 10 HA ASP 10 5.291 6.168 2.384
61 HB2 ASP 10 2HB ASP 10 6.974 4.005 2.101
62 HB3 ASP 10 1HB ASP 10 6.029 3.927 0.612
63 H CYS 11 H CYS 11 3.901 2.963 1.626
64 HA CYS 11 HA CYS 11 2.348 3.671 -0.630
65 HB2 CYS 11 2HB CYS 11 2.232 1.641 1.574
66 HB3 CYS 11 1HB CYS 11 0.862 1.756 0.469
67 H ILE 12 H ILE 12 1.408 3.694 2.830
68 HA ILE 12 HA ILE 12 -1.236 4.719 2.435
69 HB ILE 12 HB ILE 12 0.733 4.846 4.738
70 HG12 ILE 12 2HG1 ILE 12 -1.651 3.040 4.215
71 HG13 ILE 12 1HG1 ILE 12 0.033 2.581 3.950
72 HG21 ILE 12 1HG2 ILE 12 -0.867 5.791 6.078
73 HG22 ILE 12 2HG2 ILE 12 -2.194 5.015 5.215
74 HG23 ILE 12 3HG2 ILE 12 -1.433 6.458 4.547
75 HD11 ILE 12 3HD1 ILE 12 0.330 3.359 6.450
76 HD12 ILE 12 1HD1 ILE 12 -0.324 1.759 6.101
77 HD13 ILE 12 2HD1 ILE 12 -1.409 3.079 6.535
78 H MET 13 H MET 13 1.910 6.285 2.686
79 HA MET 13 HA MET 13 0.942 8.973 3.116
80 HB2 MET 13 2HB MET 13 3.425 7.521 2.636
81 HB3 MET 13 1HB MET 13 3.412 9.072 1.796
82 HG2 MET 13 2HG MET 13 3.590 10.231 3.727
83 HG3 MET 13 1HG MET 13 2.337 9.267 4.508
84 HE1 MET 13 3HE MET 13 2.974 7.464 6.473
85 HE2 MET 13 1HE MET 13 3.103 9.225 6.575
86 HE3 MET 13 2HE MET 13 4.373 8.204 7.247
87 H LYS 14 H LYS 14 2.045 7.241 0.178
88 HA LYS 14 HA LYS 14 1.758 9.242 -1.743
89 HB2 LYS 14 2HB LYS 14 1.261 6.269 -1.701
90 HB3 LYS 14 1HB LYS 14 1.059 7.191 -3.191
91 HG2 LYS 14 2HG LYS 14 3.368 8.044 -2.974
92 HG3 LYS 14 1HG LYS 14 3.572 7.098 -1.500
93 HD2 LYS 14 2HD LYS 14 2.805 5.096 -3.038
94 HD3 LYS 14 1HD LYS 14 3.352 6.155 -4.339
95 HE2 LYS 14 2HE LYS 14 5.234 5.990 -2.068
96 HE3 LYS 14 1HE LYS 14 5.011 4.465 -2.951
97 HZ1 LYS 14 3HZ LYS 14 5.563 5.462 -4.970
98 HZ2 LYS 14 1HZ LYS 14 6.695 6.118 -3.891
99 HZ3 LYS 14 2HZ LYS 14 5.350 7.037 -4.370
100 H GLY 15 H GLY 15 -0.773 7.474 -0.055
101 HA2 GLY 15 2HA GLY 15 -2.915 8.859 0.073
102 HA3 GLY 15 1HA GLY 15 -2.802 8.898 -1.682
103 H TYR 16 H TYR 16 -1.647 5.946 -0.665
104 HA TYR 16 HA TYR 16 -4.121 4.592 -1.535
105 HB2 TYR 16 2HB TYR 16 -1.397 3.546 -0.694
106 HB3 TYR 16 1HB TYR 16 -2.632 2.646 -1.569
107 HD1 TYR 16 2HD TYR 16 -3.597 4.129 -3.690
108 HD2 TYR 16 1HD TYR 16 0.355 4.306 -2.013
109 HE1 TYR 16 2HE TYR 16 -2.726 5.017 -5.835
110 HE2 TYR 16 1HE TYR 16 1.225 5.192 -4.158
111 HH TYR 16 HH TYR 16 0.633 5.231 -6.505
112 H ASN 17 H ASN 17 -3.501 2.197 0.076
113 HA ASN 17 HA ASN 17 -4.348 3.168 2.787
114 HB2 ASN 17 2HB ASN 17 -6.205 2.258 1.428
115 HB3 ASN 17 1HB ASN 17 -5.299 0.762 1.195
116 HD21 ASN 17 1HD2 ASN 17 -4.916 -0.599 3.140
117 HD22 ASN 17 2HD2 ASN 17 -5.926 -0.447 4.496
118 H THR 18 H THR 18 -2.652 0.695 0.892
119 HA THR 18 HA THR 18 -0.761 0.211 3.053
120 HB THR 18 HB THR 18 -2.813 -0.986 3.813
121 HG1 THR 18 1HG THR 18 -0.826 -2.806 2.951
122 HG21 THR 18 3HG2 THR 18 -3.434 -1.457 1.314
123 HG22 THR 18 1HG2 THR 18 -3.846 -2.655 2.542
124 HG23 THR 18 2HG2 THR 18 -2.428 -2.891 1.521
125 H GLY 19 H GLY 19 0.691 -1.741 2.400
126 HA2 GLY 19 2HA GLY 19 0.639 -2.619 -0.360
127 HA3 GLY 19 1HA GLY 19 1.845 -1.355 -0.107
128 H SER 20 H SER 20 2.924 -3.665 -0.857
129 HA SER 20 HA SER 20 4.237 -4.649 1.629
130 HB2 SER 20 2HB SER 20 2.840 -6.337 -0.470
131 HB3 SER 20 1HB SER 20 3.882 -6.996 0.788
132 HG SER 20 HG SER 20 1.408 -6.691 1.063
133 H CYS 21 H CYS 21 6.094 -6.251 0.863
134 HA CYS 21 HA CYS 21 7.650 -4.796 -1.173
135 HB2 CYS 21 2HB CYS 21 8.653 -5.484 0.953
136 HB3 CYS 21 1HB CYS 21 8.235 -7.166 0.632
137 H VAL 22 H VAL 22 7.565 -5.405 -3.297
138 HA VAL 22 HA VAL 22 7.055 -8.297 -3.920
139 HB VAL 22 HB VAL 22 6.026 -5.748 -5.198
140 HG11 VAL 22 1HG1 VAL 22 6.474 -8.415 -6.340
141 HG12 VAL 22 2HG1 VAL 22 6.115 -6.891 -7.153
142 HG13 VAL 22 3HG1 VAL 22 4.804 -7.867 -6.489
143 HG21 VAL 22 3HG2 VAL 22 3.830 -6.759 -4.679
144 HG22 VAL 22 1HG2 VAL 22 4.798 -6.569 -3.218
145 HG23 VAL 22 2HG2 VAL 22 4.642 -8.155 -3.972
146 H ARG 23 H ARG 23 8.608 -9.193 -5.236
147 HA ARG 23 HA ARG 23 10.596 -9.326 -6.517
148 HB2 ARG 23 2HB ARG 23 8.875 -7.148 -7.675
149 HB3 ARG 23 1HB ARG 23 10.455 -7.475 -8.390
150 HG2 ARG 23 2HG ARG 23 9.134 -9.976 -7.922
151 HG3 ARG 23 1HG ARG 23 8.031 -8.912 -8.795
152 HD2 ARG 23 2HD ARG 23 10.872 -9.622 -9.611
153 HD3 ARG 23 1HD ARG 23 9.376 -10.090 -10.445
154 HE ARG 23 HE ARG 23 9.439 -7.240 -10.109
155 HH11 ARG 23 1HH2 ARG 23 10.867 -9.843 -11.874
156 HH12 ARG 23 2HH2 ARG 23 11.224 -8.874 -13.264
157 HH21 ARG 23 1HH1 ARG 23 9.900 -5.967 -11.916
158 HH22 ARG 23 2HH1 ARG 23 10.679 -6.682 -13.288
159 H GLY 24 H GLY 24 11.017 -7.990 -4.062
160 HA2 GLY 24 2HA GLY 24 12.657 -6.648 -3.047
161 HA3 GLY 24 1HA GLY 24 13.413 -6.507 -4.637
162 H SER 25 H SER 25 10.110 -5.593 -4.549
163 HA SER 25 HA SER 25 10.911 -2.704 -4.431
164 HB2 SER 25 2HB SER 25 9.905 -4.232 -6.562
165 HB3 SER 25 1HB SER 25 8.527 -3.293 -5.994
166 HG SER 25 HG SER 25 9.431 -1.584 -6.804
167 H CYS 26 H CYS 26 8.266 -1.699 -4.599
168 HA CYS 26 HA CYS 26 6.812 -2.908 -2.299
169 HB2 CYS 26 2HB CYS 26 8.270 -1.389 -1.202
170 HB3 CYS 26 1HB CYS 26 8.094 -0.178 -2.470
171 H GLN 27 H GLN 27 4.750 -3.095 -3.055
172 HA GLN 27 HA GLN 27 3.709 -1.027 -4.951
173 HB2 GLN 27 2HB GLN 27 3.009 -3.908 -4.325
174 HB3 GLN 27 1HB GLN 27 2.006 -2.894 -5.364
175 HG2 GLN 27 2HG GLN 27 4.132 -2.428 -6.713
176 HG3 GLN 27 1HG GLN 27 4.869 -3.754 -5.814
177 HE21 GLN 27 1HE2 GLN 27 3.387 -3.166 -8.702
178 HE22 GLN 27 2HE2 GLN 27 2.673 -4.682 -8.981
179 H CYS 28 H CYS 28 1.503 -0.245 -4.561
180 HA CYS 28 HA CYS 28 0.676 -0.467 -1.683
181 HB2 CYS 28 2HB CYS 28 0.276 1.846 -3.603
182 HB3 CYS 28 1HB CYS 28 0.021 1.858 -1.857
183 H ARG 29 H ARG 29 -1.706 -0.149 -1.358
184 HA ARG 29 HA ARG 29 -3.392 -0.724 -3.745
185 HB2 ARG 29 2HB ARG 29 -2.545 -2.586 -1.677
186 HB3 ARG 29 1HB ARG 29 -4.302 -2.453 -1.732
187 HG2 ARG 29 2HG ARG 29 -2.498 -3.037 -4.098
188 HG3 ARG 29 1HG ARG 29 -3.528 -4.208 -3.273
189 HD2 ARG 29 2HD ARG 29 -5.009 -1.813 -4.072
190 HD3 ARG 29 1HD ARG 29 -4.296 -2.668 -5.455
191 HE ARG 29 HE ARG 29 -5.433 -4.575 -3.636
192 HH11 ARG 29 1HH2 ARG 29 -6.258 -2.134 -5.938
193 HH12 ARG 29 2HH2 ARG 29 -7.764 -2.871 -6.371
194 HH21 ARG 29 1HH1 ARG 29 -7.394 -5.543 -4.194
195 HH22 ARG 29 2HH1 ARG 29 -8.406 -4.797 -5.386
196 H ARG 30 H ARG 30 -5.388 0.272 -3.566
197 HA ARG 30 HA ARG 30 -5.910 1.874 -1.131
198 HB2 ARG 30 2HB ARG 30 -7.398 1.661 -3.770
199 HB3 ARG 30 1HB ARG 30 -7.554 2.954 -2.580
200 HG2 ARG 30 2HG ARG 30 -5.401 3.797 -3.028
201 HG3 ARG 30 1HG ARG 30 -4.877 2.299 -3.800
202 HD2 ARG 30 2HD ARG 30 -7.127 3.954 -4.964
203 HD3 ARG 30 1HD ARG 30 -5.430 4.263 -5.380
204 HE ARG 30 HE ARG 30 -6.985 1.935 -6.204
205 HH11 ARG 30 1HH2 ARG 30 -3.865 3.186 -5.408
206 HH12 ARG 30 2HH2 ARG 30 -3.012 2.017 -6.359
207 HH21 ARG 30 1HH1 ARG 30 -5.882 0.407 -7.446
208 HH22 ARG 30 2HH1 ARG 30 -4.151 0.446 -7.510
209 H THR 31 H THR 31 -6.211 -0.641 -0.282
210 HA THR 31 HA THR 31 -8.973 -1.600 -0.728
211 HB THR 31 HB THR 31 -6.868 -3.029 -0.556
212 HG1 THR 31 1HG THR 31 -8.851 -3.994 -0.274
213 HG21 THR 31 3HG2 THR 31 -7.124 -2.780 2.413
214 HG22 THR 31 1HG2 THR 31 -6.195 -1.558 1.546
215 HG23 THR 31 2HG2 THR 31 -5.729 -3.256 1.445
216 H SER 32 H SER 32 -9.922 -2.439 1.590
217 HA SER 32 HA SER 32 -9.581 -0.364 3.686
218 HB2 SER 32 2HB SER 32 -11.529 -0.207 1.670
219 HB3 SER 32 1HB SER 32 -12.394 -0.809 3.081
220 HG SER 32 HG SER 32 -12.359 1.420 3.172
221 H GLY 33 H GLY 33 -10.474 -1.058 5.735
222 HA2 GLY 33 2HA GLY 33 -10.593 -3.970 6.023
223 HA3 GLY 33 1HA GLY 33 -10.675 -2.796 7.337
Start of MODEL 14
1 H1 ALA 1 1HT ALA 1 14.272 0.678 0.461
2 H2 ALA 1 2HT ALA 1 14.966 -0.791 -0.037
3 H3 ALA 1 3HT ALA 1 15.803 0.228 1.034
4 HA ALA 1 HA ALA 1 14.743 -1.740 2.127
5 HB1 ALA 1 2HB ALA 1 15.347 0.624 3.041
6 HB2 ALA 1 3HB ALA 1 14.283 -0.392 4.013
7 HB3 ALA 1 1HB ALA 1 13.607 0.905 3.029
8 H CYS 2 H CYS 2 13.154 -2.812 0.732
9 HA CYS 2 HA CYS 2 10.505 -1.608 0.377
10 HB2 CYS 2 2HB CYS 2 10.166 -3.459 -1.036
11 HB3 CYS 2 1HB CYS 2 11.902 -3.214 -1.144
12 H ASN 3 H ASN 3 11.878 -2.680 3.079
13 HA ASN 3 HA ASN 3 10.566 -4.740 4.308
14 HB2 ASN 3 2HB ASN 3 11.956 -2.427 5.042
15 HB3 ASN 3 1HB ASN 3 10.443 -2.330 5.944
16 HD21 ASN 3 1HD2 ASN 3 13.268 -3.031 6.880
17 HD22 ASN 3 2HD2 ASN 3 13.096 -4.526 7.665
18 H ASP 4 H ASP 4 8.521 -5.111 5.246
19 HA ASP 4 HA ASP 4 6.219 -3.970 4.019
20 HB2 ASP 4 2HB ASP 4 6.801 -6.128 5.555
21 HB3 ASP 4 1HB ASP 4 6.012 -5.108 6.758
22 H ARG 5 H ARG 5 8.086 -2.987 6.821
23 HA ARG 5 HA ARG 5 6.062 -1.258 7.985
24 HB2 ARG 5 2HB ARG 5 8.183 -2.357 9.000
25 HB3 ARG 5 1HB ARG 5 9.056 -1.004 8.281
26 HG2 ARG 5 2HG ARG 5 8.357 0.405 9.895
27 HG3 ARG 5 1HG ARG 5 6.677 -0.089 9.675
28 HD2 ARG 5 2HD ARG 5 6.972 -1.994 11.148
29 HD3 ARG 5 1HD ARG 5 8.719 -1.696 11.252
30 HE ARG 5 HE ARG 5 7.363 0.703 11.977
31 HH11 ARG 5 1HH2 ARG 5 7.891 -2.531 13.066
32 HH12 ARG 5 2HH2 ARG 5 7.748 -2.128 14.743
33 HH21 ARG 5 1HH1 ARG 5 7.176 1.240 14.162
34 HH22 ARG 5 2HH1 ARG 5 7.344 0.005 15.363
35 H ASP 6 H ASP 6 8.960 -0.658 5.961
36 HA ASP 6 HA ASP 6 8.390 2.193 5.699
37 HB2 ASP 6 2HB ASP 6 10.392 0.191 4.849
38 HB3 ASP 6 1HB ASP 6 10.173 1.531 3.722
39 H CYS 7 H CYS 7 7.755 -0.723 3.801
40 HA CYS 7 HA CYS 7 6.969 0.570 1.357
41 HB2 CYS 7 2HB CYS 7 7.571 -1.842 1.711
42 HB3 CYS 7 1HB CYS 7 6.046 -2.056 2.570
43 H SER 8 H SER 8 4.961 -0.799 4.005
44 HA SER 8 HA SER 8 2.456 0.160 3.025
45 HB2 SER 8 2HB SER 8 1.815 -0.202 5.452
46 HB3 SER 8 1HB SER 8 2.635 -1.571 4.706
47 HG SER 8 HG SER 8 3.893 -1.342 6.392
48 H LEU 9 H LEU 9 4.697 1.558 5.449
49 HA LEU 9 HA LEU 9 3.268 3.872 6.147
50 HB2 LEU 9 2HB LEU 9 6.035 2.900 6.099
51 HB3 LEU 9 1HB LEU 9 5.931 4.657 5.974
52 HG LEU 9 HG LEU 9 4.542 2.990 8.093
53 HD11 LEU 9 1HD1 LEU 9 6.372 3.226 9.405
54 HD12 LEU 9 2HD1 LEU 9 6.585 4.912 8.936
55 HD13 LEU 9 3HD1 LEU 9 7.241 3.627 7.923
56 HD21 LEU 9 3HD2 LEU 9 3.315 4.855 8.410
57 HD22 LEU 9 1HD2 LEU 9 4.218 5.705 7.156
58 HD23 LEU 9 2HD2 LEU 9 4.800 5.712 8.821
59 H ASP 10 H ASP 10 5.559 3.459 3.427
60 HA ASP 10 HA ASP 10 5.185 6.101 2.338
61 HB2 ASP 10 2HB ASP 10 6.904 4.030 1.983
62 HB3 ASP 10 1HB ASP 10 5.870 3.806 0.572
63 H CYS 11 H CYS 11 3.485 3.041 1.975
64 HA CYS 11 HA CYS 11 1.979 3.704 -0.393
65 HB2 CYS 11 2HB CYS 11 1.675 1.779 1.920
66 HB3 CYS 11 1HB CYS 11 0.515 1.821 0.594
67 H ILE 12 H ILE 12 1.193 3.875 3.097
68 HA ILE 12 HA ILE 12 -1.436 4.993 2.752
69 HB ILE 12 HB ILE 12 0.599 5.013 5.000
70 HG12 ILE 12 2HG1 ILE 12 -1.951 3.410 4.649
71 HG13 ILE 12 1HG1 ILE 12 -0.351 2.811 4.206
72 HG21 ILE 12 1HG2 ILE 12 -1.072 5.838 6.466
73 HG22 ILE 12 2HG2 ILE 12 -2.355 5.579 5.283
74 HG23 ILE 12 3HG2 ILE 12 -1.183 6.876 5.046
75 HD11 ILE 12 3HD1 ILE 12 -1.584 2.968 6.831
76 HD12 ILE 12 1HD1 ILE 12 -0.041 3.823 6.802
77 HD13 ILE 12 2HD1 ILE 12 -0.117 2.123 6.338
78 H MET 13 H MET 13 1.785 6.372 2.774
79 HA MET 13 HA MET 13 0.995 9.120 3.264
80 HB2 MET 13 2HB MET 13 3.367 7.522 2.683
81 HB3 MET 13 1HB MET 13 3.407 9.075 1.849
82 HG2 MET 13 2HG MET 13 2.495 9.201 4.657
83 HG3 MET 13 1HG MET 13 4.178 8.719 4.445
84 HE1 MET 13 3HE MET 13 4.507 10.575 5.908
85 HE2 MET 13 1HE MET 13 3.232 11.799 5.819
86 HE3 MET 13 2HE MET 13 4.886 12.209 5.370
87 H LYS 14 H LYS 14 1.717 7.229 0.320
88 HA LYS 14 HA LYS 14 1.476 9.313 -1.589
89 HB2 LYS 14 2HB LYS 14 0.892 6.340 -1.631
90 HB3 LYS 14 1HB LYS 14 0.876 7.334 -3.089
91 HG2 LYS 14 2HG LYS 14 3.195 7.949 -2.777
92 HG3 LYS 14 1HG LYS 14 3.237 7.168 -1.197
93 HD2 LYS 14 2HD LYS 14 3.062 4.995 -2.146
94 HD3 LYS 14 1HD LYS 14 2.571 5.636 -3.714
95 HE2 LYS 14 2HE LYS 14 5.229 6.497 -2.627
96 HE3 LYS 14 1HE LYS 14 5.086 4.865 -3.311
97 HZ1 LYS 14 3HZ LYS 14 4.126 5.778 -5.300
98 HZ2 LYS 14 1HZ LYS 14 5.603 6.556 -5.010
99 HZ3 LYS 14 2HZ LYS 14 4.143 7.346 -4.649
100 H GLY 15 H GLY 15 -1.003 7.451 0.103
101 HA2 GLY 15 2HA GLY 15 -3.163 8.756 0.358
102 HA3 GLY 15 1HA GLY 15 -3.068 8.976 -1.384
103 H TYR 16 H TYR 16 -1.900 5.935 -0.533
104 HA TYR 16 HA TYR 16 -4.312 4.645 -1.638
105 HB2 TYR 16 2HB TYR 16 -1.597 3.615 -0.752
106 HB3 TYR 16 1HB TYR 16 -2.794 2.682 -1.646
107 HD1 TYR 16 2HD TYR 16 -3.843 4.823 -3.466
108 HD2 TYR 16 1HD TYR 16 0.172 3.794 -2.341
109 HE1 TYR 16 2HE TYR 16 -3.004 5.772 -5.598
110 HE2 TYR 16 1HE TYR 16 1.012 4.743 -4.472
111 HH TYR 16 HH TYR 16 0.341 5.395 -6.585
112 H ASN 17 H ASN 17 -3.689 2.144 -0.112
113 HA ASN 17 HA ASN 17 -4.793 2.944 2.562
114 HB2 ASN 17 2HB ASN 17 -6.544 2.047 1.132
115 HB3 ASN 17 1HB ASN 17 -5.535 0.666 0.701
116 HD21 ASN 17 1HD2 ASN 17 -7.228 -0.778 1.621
117 HD22 ASN 17 2HD2 ASN 17 -7.359 -0.965 3.303
118 H THR 18 H THR 18 -2.820 0.664 0.701
119 HA THR 18 HA THR 18 -1.049 0.162 2.927
120 HB THR 18 HB THR 18 -3.096 -1.044 3.663
121 HG1 THR 18 1HG THR 18 -1.196 -2.956 2.844
122 HG21 THR 18 3HG2 THR 18 -2.867 -3.194 1.704
123 HG22 THR 18 1HG2 THR 18 -3.328 -1.660 0.962
124 HG23 THR 18 2HG2 THR 18 -4.303 -2.339 2.266
125 H GLY 19 H GLY 19 0.503 -1.683 2.349
126 HA2 GLY 19 2HA GLY 19 0.523 -2.691 -0.368
127 HA3 GLY 19 1HA GLY 19 1.665 -1.363 -0.158
128 H SER 20 H SER 20 2.940 -3.554 -0.784
129 HA SER 20 HA SER 20 4.305 -4.352 1.715
130 HB2 SER 20 2HB SER 20 3.127 -6.421 -0.159
131 HB3 SER 20 1HB SER 20 3.852 -6.698 1.422
132 HG SER 20 HG SER 20 1.383 -6.464 1.062
133 H CYS 21 H CYS 21 6.099 -6.106 0.936
134 HA CYS 21 HA CYS 21 7.561 -4.760 -1.240
135 HB2 CYS 21 2HB CYS 21 8.636 -5.402 0.892
136 HB3 CYS 21 1HB CYS 21 8.253 -7.094 0.574
137 H VAL 22 H VAL 22 7.665 -5.542 -3.312
138 HA VAL 22 HA VAL 22 6.898 -8.401 -3.790
139 HB VAL 22 HB VAL 22 5.995 -5.875 -5.211
140 HG11 VAL 22 1HG1 VAL 22 4.795 -8.448 -5.985
141 HG12 VAL 22 2HG1 VAL 22 6.495 -8.295 -6.426
142 HG13 VAL 22 3HG1 VAL 22 5.325 -7.105 -6.997
143 HG21 VAL 22 3HG2 VAL 22 4.453 -8.045 -3.751
144 HG22 VAL 22 1HG2 VAL 22 3.764 -6.597 -4.488
145 HG23 VAL 22 2HG2 VAL 22 4.827 -6.454 -3.088
146 H ARG 23 H ARG 23 8.613 -9.381 -4.781
147 HA ARG 23 HA ARG 23 10.477 -9.706 -6.195
148 HB2 ARG 23 2HB ARG 23 8.549 -7.972 -7.485
149 HB3 ARG 23 1HB ARG 23 10.185 -7.569 -8.009
150 HG2 ARG 23 2HG ARG 23 9.839 -10.442 -7.879
151 HG3 ARG 23 1HG ARG 23 8.611 -9.715 -8.915
152 HD2 ARG 23 2HD ARG 23 11.567 -9.057 -9.154
153 HD3 ARG 23 1HD ARG 23 10.759 -10.302 -10.129
154 HE ARG 23 HE ARG 23 9.096 -8.136 -10.432
155 HH11 ARG 23 1HH2 ARG 23 12.502 -8.632 -10.731
156 HH12 ARG 23 2HH2 ARG 23 12.701 -7.416 -11.947
157 HH21 ARG 23 1HH1 ARG 23 9.345 -6.550 -12.016
158 HH22 ARG 23 2HH1 ARG 23 10.918 -6.240 -12.675
159 H GLY 24 H GLY 24 10.998 -8.206 -3.849
160 HA2 GLY 24 2HA GLY 24 12.750 -6.902 -2.978
161 HA3 GLY 24 1HA GLY 24 13.433 -6.852 -4.604
162 H SER 25 H SER 25 10.178 -5.832 -4.466
163 HA SER 25 HA SER 25 11.053 -2.960 -4.424
164 HB2 SER 25 2HB SER 25 9.780 -4.592 -6.447
165 HB3 SER 25 1HB SER 25 8.719 -3.261 -5.994
166 HG SER 25 HG SER 25 11.118 -3.250 -7.327
167 H CYS 26 H CYS 26 8.465 -1.861 -4.587
168 HA CYS 26 HA CYS 26 6.934 -3.028 -2.316
169 HB2 CYS 26 2HB CYS 26 8.443 -1.590 -1.179
170 HB3 CYS 26 1HB CYS 26 8.344 -0.358 -2.435
171 H GLN 27 H GLN 27 4.821 -3.015 -2.953
172 HA GLN 27 HA GLN 27 3.921 -0.879 -4.860
173 HB2 GLN 27 2HB GLN 27 3.642 -3.797 -4.693
174 HB3 GLN 27 1HB GLN 27 2.106 -2.975 -4.964
175 HG2 GLN 27 2HG GLN 27 3.192 -1.700 -6.838
176 HG3 GLN 27 1HG GLN 27 4.626 -2.708 -6.625
177 HE21 GLN 27 1HE2 GLN 27 1.498 -2.569 -8.095
178 HE22 GLN 27 2HE2 GLN 27 1.456 -4.168 -8.662
179 H CYS 28 H CYS 28 1.722 -0.074 -4.510
180 HA CYS 28 HA CYS 28 0.742 -0.469 -1.699
181 HB2 CYS 28 2HB CYS 28 0.663 2.014 -3.444
182 HB3 CYS 28 1HB CYS 28 0.160 1.911 -1.756
183 H ARG 29 H ARG 29 -1.635 -0.045 -1.480
184 HA ARG 29 HA ARG 29 -3.182 -0.384 -4.013
185 HB2 ARG 29 2HB ARG 29 -3.029 -2.183 -1.598
186 HB3 ARG 29 1HB ARG 29 -4.481 -2.159 -2.600
187 HG2 ARG 29 2HG ARG 29 -2.787 -2.436 -4.585
188 HG3 ARG 29 1HG ARG 29 -1.698 -3.026 -3.329
189 HD2 ARG 29 2HD ARG 29 -3.967 -4.411 -2.700
190 HD3 ARG 29 1HD ARG 29 -4.114 -4.305 -4.465
191 HE ARG 29 HE ARG 29 -1.417 -4.941 -3.901
192 HH11 ARG 29 1HH2 ARG 29 -4.582 -6.270 -3.518
193 HH12 ARG 29 2HH2 ARG 29 -4.044 -7.912 -3.617
194 HH21 ARG 29 1HH1 ARG 29 -0.705 -7.078 -4.030
195 HH22 ARG 29 2HH1 ARG 29 -1.854 -8.370 -3.906
196 H ARG 30 H ARG 30 -5.385 0.348 -3.816
197 HA ARG 30 HA ARG 30 -5.806 2.293 -1.621
198 HB2 ARG 30 2HB ARG 30 -7.529 1.658 -4.034
199 HB3 ARG 30 1HB ARG 30 -7.515 3.149 -3.092
200 HG2 ARG 30 2HG ARG 30 -4.977 3.225 -3.767
201 HG3 ARG 30 1HG ARG 30 -5.484 2.140 -5.061
202 HD2 ARG 30 2HD ARG 30 -7.425 4.194 -4.996
203 HD3 ARG 30 1HD ARG 30 -5.849 5.002 -4.879
204 HE ARG 30 HE ARG 30 -5.335 4.211 -7.048
205 HH11 ARG 30 1HH2 ARG 30 -8.018 2.538 -5.657
206 HH12 ARG 30 2HH2 ARG 30 -8.391 1.667 -7.106
207 HH21 ARG 30 1HH1 ARG 30 -5.811 3.077 -8.941
208 HH22 ARG 30 2HH1 ARG 30 -7.143 1.970 -8.962
209 H THR 31 H THR 31 -8.758 2.065 -1.956
210 HA THR 31 HA THR 31 -9.195 -0.447 -0.369
211 HB THR 31 HB THR 31 -10.883 2.035 -0.159
212 HG1 THR 31 1HG THR 31 -8.795 2.784 0.090
213 HG21 THR 31 3HG2 THR 31 -9.982 0.009 1.905
214 HG22 THR 31 1HG2 THR 31 -11.482 -0.119 0.986
215 HG23 THR 31 2HG2 THR 31 -11.241 1.231 2.094
216 H SER 32 H SER 32 -9.614 0.570 -3.371
217 HA SER 32 HA SER 32 -12.376 -0.583 -3.600
218 HB2 SER 32 2HB SER 32 -12.790 1.081 -5.345
219 HB3 SER 32 1HB SER 32 -12.251 1.901 -3.882
220 HG SER 32 HG SER 32 -10.956 1.511 -6.323
221 H GLY 33 H GLY 33 -9.911 -2.066 -3.831
222 HA2 GLY 33 2HA GLY 33 -9.710 -2.497 -6.780
223 HA3 GLY 33 1HA GLY 33 -8.469 -2.963 -5.617
Start of MODEL 15
1 H1 ALA 1 1HT ALA 1 16.660 -1.636 1.824
2 H2 ALA 1 2HT ALA 1 16.118 -1.910 0.238
3 H3 ALA 1 3HT ALA 1 17.553 -2.637 0.786
4 HA ALA 1 HA ALA 1 16.027 -4.378 0.912
5 HB1 ALA 1 2HB ALA 1 17.297 -4.186 2.932
6 HB2 ALA 1 3HB ALA 1 15.632 -4.465 3.446
7 HB3 ALA 1 1HB ALA 1 16.313 -2.839 3.503
8 H CYS 2 H CYS 2 13.936 -4.707 0.278
9 HA CYS 2 HA CYS 2 11.890 -2.665 0.563
10 HB2 CYS 2 2HB CYS 2 10.623 -4.166 -0.773
11 HB3 CYS 2 1HB CYS 2 12.287 -4.453 -1.267
12 H ASN 3 H ASN 3 10.408 -2.463 2.222
13 HA ASN 3 HA ASN 3 9.857 -4.799 3.980
14 HB2 ASN 3 2HB ASN 3 10.324 -3.207 5.950
15 HB3 ASN 3 1HB ASN 3 11.731 -3.808 5.071
16 HD21 ASN 3 1HD2 ASN 3 13.184 -2.198 4.477
17 HD22 ASN 3 2HD2 ASN 3 12.787 -0.565 4.232
18 H ASP 4 H ASP 4 7.685 -4.831 4.403
19 HA ASP 4 HA ASP 4 5.833 -2.917 3.438
20 HB2 ASP 4 2HB ASP 4 4.318 -4.142 5.115
21 HB3 ASP 4 1HB ASP 4 5.155 -5.156 3.939
22 H ARG 5 H ARG 5 7.841 -2.821 6.244
23 HA ARG 5 HA ARG 5 6.255 -1.253 8.023
24 HB2 ARG 5 2HB ARG 5 9.102 -1.940 7.561
25 HB3 ARG 5 1HB ARG 5 8.819 -0.478 8.508
26 HG2 ARG 5 2HG ARG 5 7.294 -2.993 9.137
27 HG3 ARG 5 1HG ARG 5 8.935 -2.780 9.744
28 HD2 ARG 5 2HD ARG 5 6.858 -0.618 10.120
29 HD3 ARG 5 1HD ARG 5 7.015 -1.957 11.274
30 HE ARG 5 HE ARG 5 9.610 -0.881 10.697
31 HH11 ARG 5 1HH2 ARG 5 6.650 -0.209 12.344
32 HH12 ARG 5 2HH2 ARG 5 7.397 0.796 13.541
33 HH21 ARG 5 1HH1 ARG 5 10.592 0.424 12.251
34 HH22 ARG 5 2HH1 ARG 5 9.625 1.153 13.489
35 H ASP 6 H ASP 6 8.996 -0.018 6.075
36 HA ASP 6 HA ASP 6 8.031 2.719 6.215
37 HB2 ASP 6 2HB ASP 6 10.176 1.251 4.658
38 HB3 ASP 6 1HB ASP 6 9.946 2.996 4.545
39 H CYS 7 H CYS 7 7.764 0.084 3.870
40 HA CYS 7 HA CYS 7 6.861 1.650 1.635
41 HB2 CYS 7 2HB CYS 7 6.337 -1.230 2.452
42 HB3 CYS 7 1HB CYS 7 6.082 -0.571 0.838
43 H SER 8 H SER 8 5.069 -0.198 4.130
44 HA SER 8 HA SER 8 2.438 0.461 3.268
45 HB2 SER 8 2HB SER 8 1.851 -0.211 5.547
46 HB3 SER 8 1HB SER 8 3.138 -1.255 4.955
47 HG SER 8 HG SER 8 4.212 -0.599 6.628
48 H LEU 9 H LEU 9 4.535 2.053 5.689
49 HA LEU 9 HA LEU 9 2.836 4.173 6.445
50 HB2 LEU 9 2HB LEU 9 5.623 3.408 6.571
51 HB3 LEU 9 1HB LEU 9 5.488 5.143 6.291
52 HG LEU 9 HG LEU 9 3.680 3.943 8.338
53 HD11 LEU 9 1HD1 LEU 9 6.668 4.096 8.532
54 HD12 LEU 9 2HD1 LEU 9 5.563 2.897 9.206
55 HD13 LEU 9 3HD1 LEU 9 5.707 4.486 9.958
56 HD21 LEU 9 3HD2 LEU 9 3.550 6.109 9.048
57 HD22 LEU 9 1HD2 LEU 9 4.204 6.480 7.454
58 HD23 LEU 9 2HD2 LEU 9 5.281 6.380 8.845
59 H ASP 10 H ASP 10 5.290 4.142 3.830
60 HA ASP 10 HA ASP 10 4.617 6.756 2.816
61 HB2 ASP 10 2HB ASP 10 6.589 4.856 2.480
62 HB3 ASP 10 1HB ASP 10 5.726 4.765 0.945
63 H CYS 11 H CYS 11 3.573 3.459 1.984
64 HA CYS 11 HA CYS 11 2.093 4.045 -0.374
65 HB2 CYS 11 2HB CYS 11 2.053 1.973 1.801
66 HB3 CYS 11 1HB CYS 11 0.764 1.966 0.596
67 H ILE 12 H ILE 12 1.089 4.049 3.055
68 HA ILE 12 HA ILE 12 -1.653 4.831 2.486
69 HB ILE 12 HB ILE 12 0.042 4.995 5.001
70 HG12 ILE 12 2HG1 ILE 12 -1.952 2.829 4.489
71 HG13 ILE 12 1HG1 ILE 12 -0.410 2.734 3.638
72 HG21 ILE 12 1HG2 ILE 12 -1.790 5.844 5.993
73 HG22 ILE 12 2HG2 ILE 12 -2.730 4.450 5.466
74 HG23 ILE 12 3HG2 ILE 12 -2.613 5.875 4.434
75 HD11 ILE 12 3HD1 ILE 12 -0.938 1.992 6.317
76 HD12 ILE 12 1HD1 ILE 12 0.049 3.453 6.392
77 HD13 ILE 12 2HD1 ILE 12 0.628 2.041 5.510
78 H MET 13 H MET 13 1.368 6.525 2.867
79 HA MET 13 HA MET 13 0.278 9.111 3.598
80 HB2 MET 13 2HB MET 13 2.829 7.842 2.908
81 HB3 MET 13 1HB MET 13 2.713 9.498 2.309
82 HG2 MET 13 2HG MET 13 1.653 9.660 4.874
83 HG3 MET 13 1HG MET 13 2.998 8.535 5.056
84 HE1 MET 13 3HE MET 13 2.345 11.205 6.244
85 HE2 MET 13 1HE MET 13 3.554 12.469 5.978
86 HE3 MET 13 2HE MET 13 4.017 10.949 6.738
87 H LYS 14 H LYS 14 1.492 7.768 0.503
88 HA LYS 14 HA LYS 14 0.991 9.947 -1.188
89 HB2 LYS 14 2HB LYS 14 0.624 6.966 -1.646
90 HB3 LYS 14 1HB LYS 14 0.793 8.165 -2.928
91 HG2 LYS 14 2HG LYS 14 3.031 8.610 -2.397
92 HG3 LYS 14 1HG LYS 14 2.864 7.987 -0.755
93 HD2 LYS 14 2HD LYS 14 2.893 5.741 -1.474
94 HD3 LYS 14 1HD LYS 14 2.514 6.177 -3.140
95 HE2 LYS 14 2HE LYS 14 5.082 7.079 -1.810
96 HE3 LYS 14 1HE LYS 14 4.961 5.538 -2.685
97 HZ1 LYS 14 3HZ LYS 14 5.512 7.807 -3.919
98 HZ2 LYS 14 1HZ LYS 14 3.819 7.896 -3.971
99 HZ3 LYS 14 2HZ LYS 14 4.620 6.566 -4.661
100 H GLY 15 H GLY 15 -1.246 7.175 -0.768
101 HA2 GLY 15 2HA GLY 15 -3.599 8.437 -0.131
102 HA3 GLY 15 1HA GLY 15 -3.458 8.703 -1.867
103 H TYR 16 H TYR 16 -2.329 5.808 -0.176
104 HA TYR 16 HA TYR 16 -4.313 4.226 -1.760
105 HB2 TYR 16 2HB TYR 16 -1.551 3.630 -0.653
106 HB3 TYR 16 1HB TYR 16 -2.551 2.454 -1.495
107 HD1 TYR 16 1HD TYR 16 -0.813 5.715 -1.855
108 HD2 TYR 16 2HD TYR 16 -2.751 2.458 -3.878
109 HE1 TYR 16 1HE TYR 16 -0.011 6.591 -4.033
110 HE2 TYR 16 2HE TYR 16 -1.949 3.334 -6.055
111 HH TYR 16 HH TYR 16 -0.318 4.757 -6.974
112 H ASN 17 H ASN 17 -3.750 1.816 -0.237
113 HA ASN 17 HA ASN 17 -5.060 2.517 2.372
114 HB2 ASN 17 2HB ASN 17 -6.386 1.330 0.529
115 HB3 ASN 17 1HB ASN 17 -5.323 -0.053 0.791
116 HD21 ASN 17 1HD2 ASN 17 -8.328 0.908 1.599
117 HD22 ASN 17 2HD2 ASN 17 -8.457 0.261 3.163
118 H THR 18 H THR 18 -2.546 0.732 0.726
119 HA THR 18 HA THR 18 -1.025 0.325 3.143
120 HB THR 18 HB THR 18 -2.703 -1.316 3.657
121 HG1 THR 18 1HG THR 18 -1.464 -3.292 3.324
122 HG21 THR 18 3HG2 THR 18 -3.716 -1.438 1.418
123 HG22 THR 18 1HG2 THR 18 -3.366 -3.055 2.032
124 HG23 THR 18 2HG2 THR 18 -2.310 -2.322 0.824
125 H GLY 19 H GLY 19 0.579 -1.780 2.474
126 HA2 GLY 19 2HA GLY 19 1.220 -1.865 -0.356
127 HA3 GLY 19 1HA GLY 19 2.337 -0.834 0.540
128 H SER 20 H SER 20 3.495 -2.955 -0.596
129 HA SER 20 HA SER 20 4.459 -4.505 1.683
130 HB2 SER 20 2HB SER 20 2.490 -5.578 -0.306
131 HB3 SER 20 1HB SER 20 3.730 -6.665 0.311
132 HG SER 20 HG SER 20 1.527 -6.187 1.474
133 H CYS 21 H CYS 21 6.073 -6.249 0.780
134 HA CYS 21 HA CYS 21 7.759 -4.908 -1.202
135 HB2 CYS 21 2HB CYS 21 8.699 -5.989 0.784
136 HB3 CYS 21 1HB CYS 21 7.987 -7.531 0.306
137 H VAL 22 H VAL 22 7.751 -5.356 -3.371
138 HA VAL 22 HA VAL 22 6.522 -7.942 -4.271
139 HB VAL 22 HB VAL 22 6.274 -5.151 -5.439
140 HG11 VAL 22 1HG1 VAL 22 4.705 -7.541 -6.355
141 HG12 VAL 22 2HG1 VAL 22 6.333 -7.287 -6.982
142 HG13 VAL 22 3HG1 VAL 22 5.091 -6.060 -7.232
143 HG21 VAL 22 3HG2 VAL 22 4.680 -6.759 -3.560
144 HG22 VAL 22 1HG2 VAL 22 3.747 -6.136 -4.922
145 HG23 VAL 22 2HG2 VAL 22 4.630 -5.024 -3.876
146 H ARG 23 H ARG 23 7.820 -9.087 -5.656
147 HA ARG 23 HA ARG 23 9.763 -9.631 -6.899
148 HB2 ARG 23 2HB ARG 23 8.349 -7.304 -7.979
149 HB3 ARG 23 1HB ARG 23 10.036 -7.373 -8.495
150 HG2 ARG 23 2HG ARG 23 9.728 -9.673 -9.282
151 HG3 ARG 23 1HG ARG 23 8.057 -9.660 -8.716
152 HD2 ARG 23 2HD ARG 23 8.466 -7.349 -10.376
153 HD3 ARG 23 1HD ARG 23 9.020 -8.791 -11.249
154 HE ARG 23 HE ARG 23 6.268 -8.241 -10.457
155 HH11 ARG 23 1HH2 ARG 23 8.664 -10.650 -11.076
156 HH12 ARG 23 2HH2 ARG 23 7.511 -11.881 -11.471
157 HH21 ARG 23 1HH1 ARG 23 4.756 -9.837 -10.971
158 HH22 ARG 23 2HH1 ARG 23 5.300 -11.420 -11.412
159 H GLY 24 H GLY 24 10.256 -8.208 -4.331
160 HA2 GLY 24 2HA GLY 24 12.303 -7.572 -3.303
161 HA3 GLY 24 1HA GLY 24 13.017 -7.387 -4.903
162 H SER 25 H SER 25 10.004 -5.833 -4.639
163 HA SER 25 HA SER 25 11.372 -3.214 -4.109
164 HB2 SER 25 2HB SER 25 10.678 -3.833 -6.509
165 HB3 SER 25 1HB SER 25 9.014 -3.687 -5.948
166 HG SER 25 HG SER 25 10.339 -1.761 -6.852
167 H CYS 26 H CYS 26 8.659 -1.935 -4.436
168 HA CYS 26 HA CYS 26 7.077 -3.026 -2.194
169 HB2 CYS 26 2HB CYS 26 9.080 -0.904 -1.996
170 HB3 CYS 26 1HB CYS 26 7.496 -0.389 -1.425
171 H GLN 27 H GLN 27 4.997 -2.775 -2.921
172 HA GLN 27 HA GLN 27 4.349 -0.334 -4.545
173 HB2 GLN 27 2HB GLN 27 3.653 -3.237 -4.715
174 HB3 GLN 27 1HB GLN 27 2.432 -2.076 -5.235
175 HG2 GLN 27 2HG GLN 27 4.567 -1.014 -6.478
176 HG3 GLN 27 1HG GLN 27 5.084 -2.701 -6.435
177 HE21 GLN 27 1HE2 GLN 27 2.270 -3.726 -6.550
178 HE22 GLN 27 2HE2 GLN 27 1.757 -3.474 -8.148
179 H CYS 28 H CYS 28 1.807 0.024 -4.406
180 HA CYS 28 HA CYS 28 0.980 -0.252 -1.534
181 HB2 CYS 28 2HB CYS 28 0.409 2.021 -3.462
182 HB3 CYS 28 1HB CYS 28 0.067 1.993 -1.733
183 H ARG 29 H ARG 29 -1.481 -0.012 -1.315
184 HA ARG 29 HA ARG 29 -2.988 -0.885 -3.731
185 HB2 ARG 29 2HB ARG 29 -2.260 -2.474 -1.338
186 HB3 ARG 29 1HB ARG 29 -3.948 -2.599 -1.833
187 HG2 ARG 29 2HG ARG 29 -1.608 -2.966 -3.724
188 HG3 ARG 29 1HG ARG 29 -2.439 -4.299 -2.920
189 HD2 ARG 29 2HD ARG 29 -4.491 -2.722 -4.038
190 HD3 ARG 29 1HD ARG 29 -3.243 -2.848 -5.294
191 HE ARG 29 HE ARG 29 -3.456 -5.411 -4.165
192 HH11 ARG 29 1HH2 ARG 29 -5.464 -3.129 -5.805
193 HH12 ARG 29 2HH2 ARG 29 -6.466 -4.340 -6.532
194 HH21 ARG 29 1HH1 ARG 29 -4.757 -6.997 -5.108
195 HH22 ARG 29 2HH1 ARG 29 -6.066 -6.526 -6.139
196 H ARG 30 H ARG 30 -5.141 -0.192 -3.671
197 HA ARG 30 HA ARG 30 -5.929 1.442 -1.291
198 HB2 ARG 30 2HB ARG 30 -6.934 1.427 -4.158
199 HB3 ARG 30 1HB ARG 30 -7.362 2.605 -2.917
200 HG2 ARG 30 2HG ARG 30 -5.476 3.784 -3.279
201 HG3 ARG 30 1HG ARG 30 -4.477 2.335 -3.156
202 HD2 ARG 30 2HD ARG 30 -4.339 3.442 -5.416
203 HD3 ARG 30 1HD ARG 30 -4.950 1.776 -5.503
204 HE ARG 30 HE ARG 30 -7.245 3.261 -5.143
205 HH11 ARG 30 1HH2 ARG 30 -4.557 3.399 -7.309
206 HH12 ARG 30 2HH2 ARG 30 -5.477 4.069 -8.612
207 HH21 ARG 30 1HH1 ARG 30 -8.454 4.135 -6.838
208 HH22 ARG 30 2HH1 ARG 30 -7.680 4.484 -8.348
209 H THR 31 H THR 31 -6.473 -0.895 -0.422
210 HA THR 31 HA THR 31 -9.099 -1.860 -1.460
211 HB THR 31 HB THR 31 -7.328 -3.507 -1.245
212 HG1 THR 31 1HG THR 31 -9.384 -4.183 -0.565
213 HG21 THR 31 3HG2 THR 31 -6.905 -2.089 1.333
214 HG22 THR 31 1HG2 THR 31 -5.725 -2.798 0.230
215 HG23 THR 31 2HG2 THR 31 -6.629 -3.831 1.339
216 H SER 32 H SER 32 -10.217 0.042 -0.449
217 HA SER 32 HA SER 32 -10.159 0.488 2.405
218 HB2 SER 32 2HB SER 32 -12.575 1.165 0.823
219 HB3 SER 32 1HB SER 32 -11.576 2.200 1.838
220 HG SER 32 HG SER 32 -11.332 2.716 -0.364
221 H GLY 33 H GLY 33 -11.473 -2.029 0.551
222 HA2 GLY 33 2HA GLY 33 -12.688 -3.312 2.803
223 HA3 GLY 33 1HA GLY 33 -13.946 -2.574 1.810
Start of MODEL 16
1 H1 ALA 1 1HT ALA 1 16.971 -7.167 0.458
2 H2 ALA 1 2HT ALA 1 17.003 -5.487 0.703
3 H3 ALA 1 3HT ALA 1 16.234 -6.134 -0.666
4 HA ALA 1 HA ALA 1 14.504 -7.101 0.659
5 HB1 ALA 1 2HB ALA 1 14.734 -7.321 2.977
6 HB2 ALA 1 3HB ALA 1 15.829 -5.944 3.096
7 HB3 ALA 1 1HB ALA 1 16.408 -7.478 2.447
8 H CYS 2 H CYS 2 12.838 -5.698 0.272
9 HA CYS 2 HA CYS 2 13.178 -2.831 0.223
10 HB2 CYS 2 2HB CYS 2 10.903 -2.871 -0.503
11 HB3 CYS 2 1HB CYS 2 11.587 -4.388 -1.081
12 H ASN 3 H ASN 3 10.896 -1.834 1.490
13 HA ASN 3 HA ASN 3 11.392 -2.481 4.382
14 HB2 ASN 3 2HB ASN 3 11.615 -0.027 2.806
15 HB3 ASN 3 1HB ASN 3 10.566 0.179 4.209
16 HD21 ASN 3 1HD2 ASN 3 11.547 -0.689 6.351
17 HD22 ASN 3 2HD2 ASN 3 13.218 -0.484 6.571
18 H ASP 4 H ASP 4 9.447 -3.923 4.095
19 HA ASP 4 HA ASP 4 6.885 -3.069 3.267
20 HB2 ASP 4 2HB ASP 4 7.627 -5.387 3.813
21 HB3 ASP 4 1HB ASP 4 7.640 -4.957 5.522
22 H ARG 5 H ARG 5 8.654 -2.335 6.203
23 HA ARG 5 HA ARG 5 6.352 -1.467 7.760
24 HB2 ARG 5 2HB ARG 5 8.813 -2.206 8.390
25 HB3 ARG 5 1HB ARG 5 9.160 -0.489 8.171
26 HG2 ARG 5 2HG ARG 5 8.450 -0.233 10.303
27 HG3 ARG 5 1HG ARG 5 6.825 -0.461 9.658
28 HD2 ARG 5 2HD ARG 5 6.694 -2.263 11.046
29 HD3 ARG 5 1HD ARG 5 7.806 -3.066 9.917
30 HE ARG 5 HE ARG 5 9.287 -1.346 11.678
31 HH11 ARG 5 1HH2 ARG 5 7.537 -4.322 11.547
32 HH12 ARG 5 2HH2 ARG 5 8.449 -5.062 12.818
33 HH21 ARG 5 1HH1 ARG 5 10.482 -2.303 13.335
34 HH22 ARG 5 2HH1 ARG 5 10.114 -3.921 13.830
35 H ASP 6 H ASP 6 9.055 0.387 6.293
36 HA ASP 6 HA ASP 6 7.692 2.929 6.542
37 HB2 ASP 6 2HB ASP 6 10.220 1.809 5.621
38 HB3 ASP 6 1HB ASP 6 9.668 3.102 4.557
39 H CYS 7 H CYS 7 7.819 0.421 4.084
40 HA CYS 7 HA CYS 7 6.836 1.978 1.865
41 HB2 CYS 7 2HB CYS 7 6.892 -0.948 2.621
42 HB3 CYS 7 1HB CYS 7 6.200 -0.405 1.094
43 H SER 8 H SER 8 5.150 -0.300 4.076
44 HA SER 8 HA SER 8 2.514 0.163 3.120
45 HB2 SER 8 2HB SER 8 1.977 -0.558 5.549
46 HB3 SER 8 1HB SER 8 2.939 -1.669 4.578
47 HG SER 8 HG SER 8 3.616 -0.868 6.862
48 H LEU 9 H LEU 9 4.383 1.820 5.671
49 HA LEU 9 HA LEU 9 2.360 3.627 6.547
50 HB2 LEU 9 2HB LEU 9 5.252 3.233 6.715
51 HB3 LEU 9 1HB LEU 9 4.826 4.944 6.699
52 HG LEU 9 HG LEU 9 3.089 3.302 8.415
53 HD11 LEU 9 1HD1 LEU 9 5.717 2.555 8.514
54 HD12 LEU 9 2HD1 LEU 9 4.616 2.476 9.890
55 HD13 LEU 9 3HD1 LEU 9 5.693 3.860 9.699
56 HD21 LEU 9 3HD2 LEU 9 4.682 5.866 8.707
57 HD22 LEU 9 1HD2 LEU 9 3.661 5.208 9.987
58 HD23 LEU 9 2HD2 LEU 9 2.943 5.712 8.457
59 H ASP 10 H ASP 10 4.934 4.066 4.094
60 HA ASP 10 HA ASP 10 4.060 6.658 3.206
61 HB2 ASP 10 2HB ASP 10 6.227 5.076 2.851
62 HB3 ASP 10 1HB ASP 10 5.389 4.759 1.332
63 H CYS 11 H CYS 11 3.393 3.344 2.063
64 HA CYS 11 HA CYS 11 1.900 3.886 -0.257
65 HB2 CYS 11 2HB CYS 11 1.810 1.796 1.915
66 HB3 CYS 11 1HB CYS 11 0.657 1.732 0.582
67 H ILE 12 H ILE 12 0.926 4.053 3.148
68 HA ILE 12 HA ILE 12 -1.887 4.538 2.622
69 HB ILE 12 HB ILE 12 -0.061 5.022 4.997
70 HG12 ILE 12 2HG1 ILE 12 -2.170 2.895 4.807
71 HG13 ILE 12 1HG1 ILE 12 -0.627 2.642 3.990
72 HG21 ILE 12 1HG2 ILE 12 -1.926 5.540 6.303
73 HG22 ILE 12 2HG2 ILE 12 -3.051 4.788 5.174
74 HG23 ILE 12 3HG2 ILE 12 -2.323 6.347 4.786
75 HD11 ILE 12 3HD1 ILE 12 -1.209 2.874 6.917
76 HD12 ILE 12 1HD1 ILE 12 0.350 3.446 6.326
77 HD13 ILE 12 2HD1 ILE 12 -0.126 1.766 6.076
78 H MET 13 H MET 13 0.957 6.573 3.190
79 HA MET 13 HA MET 13 -0.536 9.077 3.242
80 HB2 MET 13 2HB MET 13 2.172 8.068 3.573
81 HB3 MET 13 1HB MET 13 2.162 9.547 2.610
82 HG2 MET 13 2HG MET 13 0.996 10.756 4.327
83 HG3 MET 13 1HG MET 13 0.676 9.278 5.233
84 HE1 MET 13 3HE MET 13 4.740 11.308 4.577
85 HE2 MET 13 1HE MET 13 3.196 11.678 3.795
86 HE3 MET 13 2HE MET 13 4.075 10.212 3.367
87 H LYS 14 H LYS 14 1.336 7.277 0.803
88 HA LYS 14 HA LYS 14 1.517 9.104 -1.286
89 HB2 LYS 14 2HB LYS 14 0.960 6.149 -1.113
90 HB3 LYS 14 1HB LYS 14 1.089 6.937 -2.684
91 HG2 LYS 14 2HG LYS 14 3.319 7.804 -2.060
92 HG3 LYS 14 1HG LYS 14 3.193 6.986 -0.503
93 HD2 LYS 14 2HD LYS 14 2.703 4.874 -2.038
94 HD3 LYS 14 1HD LYS 14 3.594 5.821 -3.231
95 HE2 LYS 14 2HE LYS 14 5.241 6.139 -1.104
96 HE3 LYS 14 1HE LYS 14 4.572 4.536 -0.732
97 HZ1 LYS 14 3HZ LYS 14 5.920 5.417 -3.222
98 HZ2 LYS 14 1HZ LYS 14 4.974 4.011 -3.154
99 HZ3 LYS 14 2HZ LYS 14 6.365 4.144 -2.187
100 H GLY 15 H GLY 15 -1.342 7.210 -0.319
101 HA2 GLY 15 2HA GLY 15 -3.412 8.815 -0.756
102 HA3 GLY 15 1HA GLY 15 -2.934 8.517 -2.424
103 H TYR 16 H TYR 16 -2.050 5.726 -1.175
104 HA TYR 16 HA TYR 16 -4.569 4.390 -1.928
105 HB2 TYR 16 2HB TYR 16 -1.938 3.211 -0.999
106 HB3 TYR 16 1HB TYR 16 -3.160 2.448 -2.013
107 HD1 TYR 16 2HD TYR 16 -3.676 3.520 -4.296
108 HD2 TYR 16 1HD TYR 16 -0.190 4.466 -1.969
109 HE1 TYR 16 2HE TYR 16 -2.568 4.427 -6.322
110 HE2 TYR 16 1HE TYR 16 0.915 5.374 -3.994
111 HH TYR 16 HH TYR 16 -0.255 6.417 -6.414
112 H ASN 17 H ASN 17 -3.762 2.090 -0.121
113 HA ASN 17 HA ASN 17 -4.654 3.217 2.509
114 HB2 ASN 17 2HB ASN 17 -6.565 2.282 1.320
115 HB3 ASN 17 1HB ASN 17 -5.675 0.795 0.994
116 HD21 ASN 17 1HD2 ASN 17 -6.503 2.811 3.884
117 HD22 ASN 17 2HD2 ASN 17 -6.872 1.484 4.877
118 H THR 18 H THR 18 -2.993 0.628 0.748
119 HA THR 18 HA THR 18 -1.131 0.225 2.965
120 HB THR 18 HB THR 18 -3.172 -0.972 3.716
121 HG1 THR 18 1HG THR 18 -1.449 -3.014 2.926
122 HG21 THR 18 3HG2 THR 18 -4.108 -1.452 1.493
123 HG22 THR 18 1HG2 THR 18 -3.945 -2.936 2.431
124 HG23 THR 18 2HG2 THR 18 -2.776 -2.561 1.165
125 H GLY 19 H GLY 19 0.657 -1.137 2.306
126 HA2 GLY 19 2HA GLY 19 0.565 -2.167 -0.483
127 HA3 GLY 19 1HA GLY 19 1.841 -1.030 -0.047
128 H SER 20 H SER 20 3.172 -3.007 -0.723
129 HA SER 20 HA SER 20 4.107 -4.367 1.690
130 HB2 SER 20 2HB SER 20 2.140 -5.555 -0.125
131 HB3 SER 20 1HB SER 20 3.572 -6.563 0.063
132 HG SER 20 HG SER 20 3.183 -5.924 2.438
133 H CYS 21 H CYS 21 5.534 -6.439 0.525
134 HA CYS 21 HA CYS 21 7.534 -4.949 -1.069
135 HB2 CYS 21 2HB CYS 21 7.765 -6.615 1.003
136 HB3 CYS 21 1HB CYS 21 7.791 -7.826 -0.280
137 H VAL 22 H VAL 22 7.863 -5.307 -3.247
138 HA VAL 22 HA VAL 22 6.536 -7.680 -4.507
139 HB VAL 22 HB VAL 22 6.386 -4.741 -5.206
140 HG11 VAL 22 1HG1 VAL 22 6.565 -6.966 -7.019
141 HG12 VAL 22 2HG1 VAL 22 6.328 -5.258 -7.395
142 HG13 VAL 22 3HG1 VAL 22 4.934 -6.297 -7.089
143 HG21 VAL 22 3HG2 VAL 22 3.893 -5.774 -5.470
144 HG22 VAL 22 1HG2 VAL 22 4.510 -5.136 -3.946
145 HG23 VAL 22 2HG2 VAL 22 4.547 -6.871 -4.255
146 H ARG 23 H ARG 23 8.314 -8.820 -5.239
147 HA ARG 23 HA ARG 23 10.305 -9.279 -6.427
148 HB2 ARG 23 2HB ARG 23 8.825 -7.119 -7.768
149 HB3 ARG 23 1HB ARG 23 10.540 -7.164 -8.184
150 HG2 ARG 23 2HG ARG 23 9.262 -8.588 -9.721
151 HG3 ARG 23 1HG ARG 23 10.331 -9.574 -8.723
152 HD2 ARG 23 2HD ARG 23 8.587 -10.622 -7.688
153 HD3 ARG 23 1HD ARG 23 7.651 -9.118 -7.553
154 HE ARG 23 HE ARG 23 7.918 -10.058 -10.306
155 HH11 ARG 23 1HH2 ARG 23 6.161 -10.258 -7.337
156 HH12 ARG 23 2HH2 ARG 23 4.693 -10.778 -8.094
157 HH21 ARG 23 1HH1 ARG 23 6.008 -10.737 -11.299
158 HH22 ARG 23 2HH1 ARG 23 4.606 -11.049 -10.333
159 H GLY 24 H GLY 24 10.731 -8.019 -3.947
160 HA2 GLY 24 2HA GLY 24 12.523 -7.005 -2.809
161 HA3 GLY 24 1HA GLY 24 13.346 -6.851 -4.362
162 H SER 25 H SER 25 10.199 -5.553 -4.410
163 HA SER 25 HA SER 25 11.318 -2.795 -4.020
164 HB2 SER 25 2HB SER 25 10.423 -3.954 -6.331
165 HB3 SER 25 1HB SER 25 8.943 -3.204 -5.742
166 HG SER 25 HG SER 25 11.038 -2.059 -6.918
167 H CYS 26 H CYS 26 8.673 -1.605 -4.352
168 HA CYS 26 HA CYS 26 7.115 -2.697 -2.067
169 HB2 CYS 26 2HB CYS 26 8.760 -0.228 -2.216
170 HB3 CYS 26 1HB CYS 26 7.183 -0.065 -1.453
171 H GLN 27 H GLN 27 4.998 -2.683 -2.715
172 HA GLN 27 HA GLN 27 4.125 -0.566 -4.657
173 HB2 GLN 27 2HB GLN 27 3.477 -3.500 -4.332
174 HB3 GLN 27 1HB GLN 27 2.420 -2.428 -5.250
175 HG2 GLN 27 2HG GLN 27 4.707 -1.715 -6.400
176 HG3 GLN 27 1HG GLN 27 5.208 -3.320 -5.865
177 HE21 GLN 27 1HE2 GLN 27 3.273 -1.591 -8.193
178 HE22 GLN 27 2HE2 GLN 27 2.651 -2.955 -8.990
179 H CYS 28 H CYS 28 1.904 0.190 -4.354
180 HA CYS 28 HA CYS 28 0.879 -0.247 -1.566
181 HB2 CYS 28 2HB CYS 28 0.609 2.205 -3.329
182 HB3 CYS 28 1HB CYS 28 0.227 2.086 -1.612
183 H ARG 29 H ARG 29 -1.488 -0.121 -1.362
184 HA ARG 29 HA ARG 29 -3.012 -0.427 -3.912
185 HB2 ARG 29 2HB ARG 29 -2.626 -2.383 -1.662
186 HB3 ARG 29 1HB ARG 29 -4.141 -2.397 -2.566
187 HG2 ARG 29 2HG ARG 29 -1.605 -2.315 -4.138
188 HG3 ARG 29 1HG ARG 29 -2.027 -3.837 -3.351
189 HD2 ARG 29 2HD ARG 29 -4.235 -2.464 -4.802
190 HD3 ARG 29 1HD ARG 29 -2.961 -3.192 -5.802
191 HE ARG 29 HE ARG 29 -3.817 -4.942 -3.638
192 HH11 ARG 29 1HH2 ARG 29 -4.459 -3.803 -6.834
193 HH12 ARG 29 2HH2 ARG 29 -5.311 -5.231 -7.311
194 HH21 ARG 29 1HH1 ARG 29 -4.927 -6.810 -4.250
195 HH22 ARG 29 2HH1 ARG 29 -5.577 -6.933 -5.850
196 H ARG 30 H ARG 30 -5.381 -0.205 -3.529
197 HA ARG 30 HA ARG 30 -5.921 1.697 -1.303
198 HB2 ARG 30 2HB ARG 30 -7.629 0.890 -3.675
199 HB3 ARG 30 1HB ARG 30 -7.815 2.329 -2.674
200 HG2 ARG 30 2HG ARG 30 -5.434 2.951 -3.399
201 HG3 ARG 30 1HG ARG 30 -5.598 1.695 -4.627
202 HD2 ARG 30 2HD ARG 30 -7.864 3.617 -4.432
203 HD3 ARG 30 1HD ARG 30 -6.342 4.253 -5.087
204 HE ARG 30 HE ARG 30 -6.583 1.848 -6.387
205 HH11 ARG 30 1HH2 ARG 30 -8.704 4.519 -5.842
206 HH12 ARG 30 2HH2 ARG 30 -9.573 4.296 -7.322
207 HH21 ARG 30 1HH1 ARG 30 -7.711 1.548 -8.319
208 HH22 ARG 30 2HH1 ARG 30 -9.013 2.616 -8.723
209 H THR 31 H THR 31 -8.659 1.323 -1.010
210 HA THR 31 HA THR 31 -8.741 -1.141 0.594
211 HB THR 31 HB THR 31 -10.985 -0.173 1.208
212 HG1 THR 31 1HG THR 31 -10.233 2.091 -0.261
213 HG21 THR 31 3HG2 THR 31 -10.057 1.828 2.325
214 HG22 THR 31 1HG2 THR 31 -8.628 1.730 1.296
215 HG23 THR 31 2HG2 THR 31 -8.966 0.449 2.460
216 H SER 32 H SER 32 -10.634 -2.642 0.360
217 HA SER 32 HA SER 32 -11.642 -2.806 -2.460
218 HB2 SER 32 2HB SER 32 -9.744 -4.444 -1.174
219 HB3 SER 32 1HB SER 32 -11.234 -5.384 -1.183
220 HG SER 32 HG SER 32 -9.739 -5.406 -3.117
221 H GLY 33 H GLY 33 -13.262 -5.015 -2.187
222 HA2 GLY 33 2HA GLY 33 -15.214 -5.862 -1.139
223 HA3 GLY 33 1HA GLY 33 -14.891 -4.808 0.239
Start of MODEL 17
1 H1 ALA 1 1HT ALA 1 16.225 -3.155 -0.718
2 H2 ALA 1 2HT ALA 1 15.824 -3.615 0.867
3 H3 ALA 1 3HT ALA 1 17.424 -3.190 0.482
4 HA ALA 1 HA ALA 1 16.715 -1.249 1.472
5 HB1 ALA 1 2HB ALA 1 17.186 0.032 -0.334
6 HB2 ALA 1 3HB ALA 1 15.641 -0.367 -1.085
7 HB3 ALA 1 1HB ALA 1 17.034 -1.426 -1.313
8 H CYS 2 H CYS 2 14.190 -3.124 0.056
9 HA CYS 2 HA CYS 2 12.064 -1.196 0.806
10 HB2 CYS 2 2HB CYS 2 11.741 -2.265 -1.284
11 HB3 CYS 2 1HB CYS 2 12.251 -3.831 -0.657
12 H ASN 3 H ASN 3 10.431 -1.754 2.366
13 HA ASN 3 HA ASN 3 10.968 -4.132 4.086
14 HB2 ASN 3 2HB ASN 3 12.126 -1.998 4.876
15 HB3 ASN 3 1HB ASN 3 10.517 -1.331 5.146
16 HD21 ASN 3 1HD2 ASN 3 12.984 -3.234 6.571
17 HD22 ASN 3 2HD2 ASN 3 12.083 -3.837 7.877
18 H ASP 4 H ASP 4 9.073 -4.940 5.079
19 HA ASP 4 HA ASP 4 6.559 -4.441 3.836
20 HB2 ASP 4 2HB ASP 4 7.324 -5.657 6.510
21 HB3 ASP 4 1HB ASP 4 5.731 -5.816 5.769
22 H ARG 5 H ARG 5 7.754 -3.415 7.060
23 HA ARG 5 HA ARG 5 5.408 -1.880 7.726
24 HB2 ARG 5 2HB ARG 5 8.157 -2.357 8.721
25 HB3 ARG 5 1HB ARG 5 7.435 -0.827 9.218
26 HG2 ARG 5 2HG ARG 5 5.541 -3.035 9.419
27 HG3 ARG 5 1HG ARG 5 6.981 -3.312 10.398
28 HD2 ARG 5 2HD ARG 5 5.467 -0.685 10.461
29 HD3 ARG 5 1HD ARG 5 5.119 -2.022 11.576
30 HE ARG 5 HE ARG 5 7.901 -1.705 11.642
31 HH11 ARG 5 1HH2 ARG 5 5.080 0.190 12.261
32 HH12 ARG 5 2HH2 ARG 5 5.846 1.169 13.466
33 HH21 ARG 5 1HH1 ARG 5 8.908 -0.435 13.212
34 HH22 ARG 5 2HH1 ARG 5 8.009 0.816 14.005
35 H ASP 6 H ASP 6 8.603 -0.935 6.403
36 HA ASP 6 HA ASP 6 7.977 1.885 6.255
37 HB2 ASP 6 2HB ASP 6 9.964 0.353 4.565
38 HB3 ASP 6 1HB ASP 6 10.094 2.005 5.165
39 H CYS 7 H CYS 7 7.610 -0.850 4.031
40 HA CYS 7 HA CYS 7 7.040 0.669 1.659
41 HB2 CYS 7 2HB CYS 7 7.628 -1.650 1.517
42 HB3 CYS 7 1HB CYS 7 6.357 -2.110 2.646
43 H SER 8 H SER 8 4.807 -0.999 3.928
44 HA SER 8 HA SER 8 2.384 -0.010 2.825
45 HB2 SER 8 2HB SER 8 1.793 -0.318 5.439
46 HB3 SER 8 1HB SER 8 2.058 -1.692 4.370
47 HG SER 8 HG SER 8 3.599 -2.154 5.723
48 H LEU 9 H LEU 9 4.362 1.299 5.514
49 HA LEU 9 HA LEU 9 2.819 3.549 6.187
50 HB2 LEU 9 2HB LEU 9 5.578 2.607 6.395
51 HB3 LEU 9 1HB LEU 9 5.491 4.364 6.293
52 HG LEU 9 HG LEU 9 3.741 2.771 8.173
53 HD11 LEU 9 1HD1 LEU 9 5.362 3.330 9.945
54 HD12 LEU 9 2HD1 LEU 9 6.429 4.058 8.744
55 HD13 LEU 9 3HD1 LEU 9 6.112 2.324 8.705
56 HD21 LEU 9 3HD2 LEU 9 4.684 5.643 8.335
57 HD22 LEU 9 1HD2 LEU 9 3.363 4.887 9.225
58 HD23 LEU 9 2HD2 LEU 9 3.205 5.181 7.494
59 H ASP 10 H ASP 10 5.484 3.427 3.788
60 HA ASP 10 HA ASP 10 5.131 6.070 2.773
61 HB2 ASP 10 2HB ASP 10 6.867 3.983 2.444
62 HB3 ASP 10 1HB ASP 10 5.995 3.930 0.912
63 H CYS 11 H CYS 11 3.763 2.940 1.723
64 HA CYS 11 HA CYS 11 2.359 3.845 -0.574
65 HB2 CYS 11 2HB CYS 11 2.214 1.608 1.392
66 HB3 CYS 11 1HB CYS 11 0.798 1.853 0.370
67 H ILE 12 H ILE 12 1.101 3.402 2.760
68 HA ILE 12 HA ILE 12 -1.470 4.483 2.400
69 HB ILE 12 HB ILE 12 0.507 4.499 4.694
70 HG12 ILE 12 2HG1 ILE 12 -2.033 3.006 4.840
71 HG13 ILE 12 1HG1 ILE 12 -0.951 2.468 3.555
72 HG21 ILE 12 1HG2 ILE 12 -1.279 5.200 6.170
73 HG22 ILE 12 2HG2 ILE 12 -2.438 5.203 4.840
74 HG23 ILE 12 3HG2 ILE 12 -1.140 6.396 4.882
75 HD11 ILE 12 3HD1 ILE 12 0.640 1.715 5.023
76 HD12 ILE 12 1HD1 ILE 12 -0.751 1.579 6.100
77 HD13 ILE 12 2HD1 ILE 12 0.305 2.987 6.198
78 H MET 13 H MET 13 1.637 6.103 2.719
79 HA MET 13 HA MET 13 0.539 8.779 3.096
80 HB2 MET 13 2HB MET 13 3.088 7.389 2.992
81 HB3 MET 13 1HB MET 13 3.163 8.895 2.077
82 HG2 MET 13 2HG MET 13 2.422 10.176 3.979
83 HG3 MET 13 1HG MET 13 2.060 8.710 4.891
84 HE1 MET 13 3HE MET 13 4.614 11.480 5.136
85 HE2 MET 13 1HE MET 13 4.312 11.101 3.435
86 HE3 MET 13 2HE MET 13 5.919 10.870 4.121
87 H LYS 14 H LYS 14 1.826 6.910 0.344
88 HA LYS 14 HA LYS 14 1.933 8.814 -1.676
89 HB2 LYS 14 2HB LYS 14 1.339 5.925 -1.402
90 HB3 LYS 14 1HB LYS 14 0.862 6.652 -2.933
91 HG2 LYS 14 2HG LYS 14 3.267 5.690 -2.704
92 HG3 LYS 14 1HG LYS 14 3.060 7.253 -3.487
93 HD2 LYS 14 2HD LYS 14 4.042 8.394 -1.752
94 HD3 LYS 14 1HD LYS 14 3.428 7.274 -0.538
95 HE2 LYS 14 2HE LYS 14 5.969 7.209 -0.957
96 HE3 LYS 14 1HE LYS 14 5.129 5.648 -1.052
97 HZ1 LYS 14 3HZ LYS 14 5.038 5.758 -3.377
98 HZ2 LYS 14 1HZ LYS 14 6.620 6.239 -2.998
99 HZ3 LYS 14 2HZ LYS 14 5.455 7.404 -3.413
100 H GLY 15 H GLY 15 -0.962 7.251 -0.326
101 HA2 GLY 15 2HA GLY 15 -2.902 9.003 -0.403
102 HA3 GLY 15 1HA GLY 15 -2.653 8.863 -2.138
103 H TYR 16 H TYR 16 -1.931 5.871 -1.092
104 HA TYR 16 HA TYR 16 -4.590 4.834 -1.837
105 HB2 TYR 16 2HB TYR 16 -1.967 3.478 -1.126
106 HB3 TYR 16 1HB TYR 16 -3.351 2.710 -1.900
107 HD1 TYR 16 2HD TYR 16 -0.649 5.198 -2.327
108 HD2 TYR 16 1HD TYR 16 -3.859 3.072 -4.233
109 HE1 TYR 16 2HE TYR 16 0.173 5.943 -4.545
110 HE2 TYR 16 1HE TYR 16 -3.036 3.816 -6.450
111 HH TYR 16 HH TYR 16 -0.129 4.839 -7.082
112 H ASN 17 H ASN 17 -3.989 2.370 -0.178
113 HA ASN 17 HA ASN 17 -4.845 3.449 2.490
114 HB2 ASN 17 2HB ASN 17 -6.669 2.429 1.176
115 HB3 ASN 17 1HB ASN 17 -5.718 0.954 0.996
116 HD21 ASN 17 1HD2 ASN 17 -6.108 -0.620 2.559
117 HD22 ASN 17 2HD2 ASN 17 -6.783 -0.327 4.088
118 H THR 18 H THR 18 -3.170 0.821 0.764
119 HA THR 18 HA THR 18 -1.217 0.543 2.918
120 HB THR 18 HB THR 18 -3.272 -0.587 3.803
121 HG1 THR 18 1HG THR 18 -1.961 -1.949 4.687
122 HG21 THR 18 3HG2 THR 18 -3.881 -1.307 1.357
123 HG22 THR 18 1HG2 THR 18 -4.295 -2.370 2.701
124 HG23 THR 18 2HG2 THR 18 -2.871 -2.708 1.717
125 H GLY 19 H GLY 19 0.373 -1.230 2.361
126 HA2 GLY 19 2HA GLY 19 0.195 -2.406 -0.316
127 HA3 GLY 19 1HA GLY 19 1.417 -1.142 -0.170
128 H SER 20 H SER 20 2.789 -3.140 -0.728
129 HA SER 20 HA SER 20 4.030 -4.110 1.752
130 HB2 SER 20 2HB SER 20 2.068 -5.646 0.209
131 HB3 SER 20 1HB SER 20 3.594 -6.505 0.404
132 HG SER 20 HG SER 20 1.704 -5.732 2.284
133 H CYS 21 H CYS 21 5.911 -5.666 1.100
134 HA CYS 21 HA CYS 21 7.403 -4.396 -1.078
135 HB2 CYS 21 2HB CYS 21 8.137 -5.321 1.271
136 HB3 CYS 21 1HB CYS 21 8.231 -6.867 0.428
137 H VAL 22 H VAL 22 7.696 -5.229 -3.123
138 HA VAL 22 HA VAL 22 6.574 -7.959 -3.681
139 HB VAL 22 HB VAL 22 6.696 -5.446 -5.382
140 HG11 VAL 22 1HG1 VAL 22 5.341 -8.095 -5.970
141 HG12 VAL 22 2HG1 VAL 22 6.899 -7.617 -6.645
142 HG13 VAL 22 3HG1 VAL 22 5.447 -6.696 -7.040
143 HG21 VAL 22 3HG2 VAL 22 4.929 -6.138 -3.342
144 HG22 VAL 22 1HG2 VAL 22 4.086 -6.630 -4.809
145 HG23 VAL 22 2HG2 VAL 22 4.622 -4.962 -4.619
146 H ARG 23 H ARG 23 8.363 -9.282 -3.913
147 HA ARG 23 HA ARG 23 10.369 -10.114 -4.849
148 HB2 ARG 23 2HB ARG 23 9.155 -8.254 -6.739
149 HB3 ARG 23 1HB ARG 23 10.910 -8.305 -6.911
150 HG2 ARG 23 2HG ARG 23 10.570 -10.907 -6.768
151 HG3 ARG 23 1HG ARG 23 8.915 -10.525 -7.244
152 HD2 ARG 23 2HD ARG 23 10.056 -9.078 -9.115
153 HD3 ARG 23 1HD ARG 23 11.465 -10.108 -8.790
154 HE ARG 23 HE ARG 23 9.257 -11.844 -8.947
155 HH11 ARG 23 1HH2 ARG 23 10.914 -9.558 -10.938
156 HH12 ARG 23 2HH2 ARG 23 10.535 -10.377 -12.415
157 HH21 ARG 23 1HH1 ARG 23 8.757 -12.918 -10.869
158 HH22 ARG 23 2HH1 ARG 23 9.315 -12.276 -12.376
159 H GLY 24 H GLY 24 10.760 -6.647 -5.540
160 HA2 GLY 24 2HA GLY 24 12.739 -6.396 -3.359
161 HA3 GLY 24 1HA GLY 24 13.350 -6.174 -4.999
162 H SER 25 H SER 25 10.086 -5.210 -4.473
163 HA SER 25 HA SER 25 10.934 -2.355 -4.148
164 HB2 SER 25 2HB SER 25 10.111 -3.565 -6.501
165 HB3 SER 25 1HB SER 25 8.626 -2.832 -5.899
166 HG SER 25 HG SER 25 10.130 -1.501 -7.237
167 H CYS 26 H CYS 26 8.238 -1.381 -4.421
168 HA CYS 26 HA CYS 26 6.699 -2.763 -2.281
169 HB2 CYS 26 2HB CYS 26 8.070 -1.283 -1.015
170 HB3 CYS 26 1HB CYS 26 7.908 0.008 -2.204
171 H GLN 27 H GLN 27 4.570 -2.769 -2.895
172 HA GLN 27 HA GLN 27 3.670 -0.728 -4.897
173 HB2 GLN 27 2HB GLN 27 2.879 -3.578 -4.254
174 HB3 GLN 27 1HB GLN 27 1.893 -2.547 -5.293
175 HG2 GLN 27 2HG GLN 27 4.823 -3.185 -5.753
176 HG3 GLN 27 1HG GLN 27 3.477 -3.941 -6.607
177 HE21 GLN 27 1HE2 GLN 27 2.287 -2.630 -8.164
178 HE22 GLN 27 2HE2 GLN 27 2.887 -1.140 -8.713
179 H CYS 28 H CYS 28 1.374 -0.013 -4.631
180 HA CYS 28 HA CYS 28 0.531 -0.026 -1.747
181 HB2 CYS 28 2HB CYS 28 0.180 2.141 -3.842
182 HB3 CYS 28 1HB CYS 28 -0.175 2.277 -2.120
183 H ARG 29 H ARG 29 -1.800 0.079 -1.403
184 HA ARG 29 HA ARG 29 -3.491 -0.588 -3.778
185 HB2 ARG 29 2HB ARG 29 -3.060 -2.129 -1.214
186 HB3 ARG 29 1HB ARG 29 -4.522 -2.347 -2.176
187 HG2 ARG 29 2HG ARG 29 -3.259 -3.070 -4.087
188 HG3 ARG 29 1HG ARG 29 -1.737 -2.593 -3.335
189 HD2 ARG 29 2HD ARG 29 -3.059 -4.379 -1.534
190 HD3 ARG 29 1HD ARG 29 -3.055 -5.124 -3.145
191 HE ARG 29 HE ARG 29 -0.686 -4.519 -1.540
192 HH11 ARG 29 1HH2 ARG 29 -2.024 -4.950 -4.697
193 HH12 ARG 29 2HH2 ARG 29 -0.510 -5.384 -5.417
194 HH21 ARG 29 1HH1 ARG 29 1.290 -5.084 -2.472
195 HH22 ARG 29 2HH1 ARG 29 1.363 -5.460 -4.160
196 H ARG 30 H ARG 30 -5.765 -0.100 -3.420
197 HA ARG 30 HA ARG 30 -6.188 1.946 -1.288
198 HB2 ARG 30 2HB ARG 30 -7.613 1.250 -3.875
199 HB3 ARG 30 1HB ARG 30 -8.141 2.525 -2.777
200 HG2 ARG 30 2HG ARG 30 -5.527 3.190 -3.036
201 HG3 ARG 30 1HG ARG 30 -5.814 2.460 -4.615
202 HD2 ARG 30 2HD ARG 30 -7.253 4.130 -5.274
203 HD3 ARG 30 1HD ARG 30 -7.897 4.357 -3.635
204 HE ARG 30 HE ARG 30 -5.142 5.103 -3.639
205 HH11 ARG 30 1HH2 ARG 30 -8.219 6.077 -4.871
206 HH12 ARG 30 2HH2 ARG 30 -7.815 7.760 -4.904
207 HH21 ARG 30 1HH1 ARG 30 -4.606 7.296 -3.679
208 HH22 ARG 30 2HH1 ARG 30 -5.773 8.449 -4.232
209 H THR 31 H THR 31 -8.366 1.917 -0.221
210 HA THR 31 HA THR 31 -9.143 -0.864 0.476
211 HB THR 31 HB THR 31 -8.621 0.747 2.248
212 HG1 THR 31 1HG THR 31 -11.394 0.671 2.389
213 HG21 THR 31 3HG2 THR 31 -10.009 2.532 0.513
214 HG22 THR 31 1HG2 THR 31 -9.148 2.915 2.004
215 HG23 THR 31 2HG2 THR 31 -10.864 2.509 2.055
216 H SER 32 H SER 32 -9.935 0.272 -2.142
217 HA SER 32 HA SER 32 -12.910 0.379 -1.756
218 HB2 SER 32 2HB SER 32 -12.802 1.673 -3.937
219 HB3 SER 32 1HB SER 32 -12.035 2.475 -2.570
220 HG SER 32 HG SER 32 -10.715 2.471 -4.452
221 H GLY 33 H GLY 33 -13.450 -1.792 -2.127
222 HA2 GLY 33 2HA GLY 33 -12.200 -3.250 -4.363
223 HA3 GLY 33 1HA GLY 33 -13.381 -3.908 -3.228
Start of MODEL 18
1 H1 ALA 1 1HT ALA 1 18.114 -3.758 1.418
2 H2 ALA 1 2HT ALA 1 17.294 -2.316 1.043
3 H3 ALA 1 3HT ALA 1 17.446 -3.538 -0.126
4 HA ALA 1 HA ALA 1 15.921 -4.942 0.944
5 HB1 ALA 1 2HB ALA 1 16.997 -3.412 3.197
6 HB2 ALA 1 3HB ALA 1 16.343 -5.050 3.172
7 HB3 ALA 1 1HB ALA 1 15.258 -3.669 3.332
8 H CYS 2 H CYS 2 13.784 -4.626 0.371
9 HA CYS 2 HA CYS 2 12.904 -2.050 -0.596
10 HB2 CYS 2 2HB CYS 2 10.815 -3.317 -0.999
11 HB3 CYS 2 1HB CYS 2 12.223 -4.248 -1.507
12 H ASN 3 H ASN 3 12.771 -3.627 2.494
13 HA ASN 3 HA ASN 3 11.858 -2.924 4.556
14 HB2 ASN 3 2HB ASN 3 11.493 -0.320 3.043
15 HB3 ASN 3 1HB ASN 3 11.659 -0.517 4.787
16 HD21 ASN 3 1HD2 ASN 3 13.820 -1.625 5.474
17 HD22 ASN 3 2HD2 ASN 3 15.206 -1.202 4.591
18 H ASP 4 H ASP 4 9.927 -4.100 4.694
19 HA ASP 4 HA ASP 4 7.559 -3.356 3.128
20 HB2 ASP 4 2HB ASP 4 8.390 -5.674 3.968
21 HB3 ASP 4 1HB ASP 4 7.676 -5.204 5.509
22 H ARG 5 H ARG 5 8.775 -2.865 6.409
23 HA ARG 5 HA ARG 5 6.336 -1.945 7.611
24 HB2 ARG 5 2HB ARG 5 8.852 -2.568 8.421
25 HB3 ARG 5 1HB ARG 5 8.948 -0.806 8.460
26 HG2 ARG 5 2HG ARG 5 6.609 -2.245 9.702
27 HG3 ARG 5 1HG ARG 5 8.115 -2.038 10.596
28 HD2 ARG 5 2HD ARG 5 6.763 0.314 9.257
29 HD3 ARG 5 1HD ARG 5 6.331 -0.193 10.903
30 HE ARG 5 HE ARG 5 9.208 -0.018 10.543
31 HH11 ARG 5 1HH2 ARG 5 6.297 1.747 11.133
32 HH12 ARG 5 2HH2 ARG 5 7.097 3.032 11.974
33 HH21 ARG 5 1HH1 ARG 5 10.258 1.653 11.638
34 HH22 ARG 5 2HH1 ARG 5 9.334 2.979 12.262
35 H ASP 6 H ASP 6 9.126 -0.086 6.324
36 HA ASP 6 HA ASP 6 7.787 2.470 6.526
37 HB2 ASP 6 2HB ASP 6 10.315 1.306 5.576
38 HB3 ASP 6 1HB ASP 6 9.804 2.715 4.645
39 H CYS 7 H CYS 7 7.815 -0.082 4.146
40 HA CYS 7 HA CYS 7 7.035 1.444 1.835
41 HB2 CYS 7 2HB CYS 7 7.225 -1.354 2.738
42 HB3 CYS 7 1HB CYS 7 5.964 -1.083 1.535
43 H SER 8 H SER 8 5.058 -0.606 4.022
44 HA SER 8 HA SER 8 2.516 0.139 2.998
45 HB2 SER 8 2HB SER 8 2.958 -0.381 5.918
46 HB3 SER 8 1HB SER 8 1.736 -1.051 4.842
47 HG SER 8 HG SER 8 3.720 -2.018 3.771
48 H LEU 9 H LEU 9 4.299 1.487 5.812
49 HA LEU 9 HA LEU 9 2.518 3.476 6.630
50 HB2 LEU 9 2HB LEU 9 5.365 2.889 6.747
51 HB3 LEU 9 1HB LEU 9 5.082 4.628 6.682
52 HG LEU 9 HG LEU 9 3.324 3.070 8.504
53 HD11 LEU 9 1HD1 LEU 9 6.064 3.826 9.480
54 HD12 LEU 9 2HD1 LEU 9 5.825 2.267 8.687
55 HD13 LEU 9 3HD1 LEU 9 4.926 2.658 10.153
56 HD21 LEU 9 3HD2 LEU 9 4.086 5.775 8.024
57 HD22 LEU 9 1HD2 LEU 9 4.635 5.355 9.646
58 HD23 LEU 9 2HD2 LEU 9 2.934 5.172 9.215
59 H ASP 10 H ASP 10 4.915 3.665 3.988
60 HA ASP 10 HA ASP 10 4.195 6.367 3.207
61 HB2 ASP 10 2HB ASP 10 6.273 4.652 2.787
62 HB3 ASP 10 1HB ASP 10 5.415 4.496 1.253
63 H CYS 11 H CYS 11 3.407 3.111 1.958
64 HA CYS 11 HA CYS 11 1.934 3.735 -0.326
65 HB2 CYS 11 2HB CYS 11 1.696 1.670 1.853
66 HB3 CYS 11 1HB CYS 11 0.536 1.679 0.526
67 H ILE 12 H ILE 12 0.787 3.759 3.059
68 HA ILE 12 HA ILE 12 -1.904 4.613 2.380
69 HB ILE 12 HB ILE 12 -0.214 4.467 4.883
70 HG12 ILE 12 2HG1 ILE 12 -2.785 3.025 4.608
71 HG13 ILE 12 1HG1 ILE 12 -1.530 2.531 3.472
72 HG21 ILE 12 1HG2 ILE 12 -2.753 4.776 5.816
73 HG22 ILE 12 2HG2 ILE 12 -2.788 5.856 4.423
74 HG23 ILE 12 3HG2 ILE 12 -1.591 6.095 5.695
75 HD11 ILE 12 3HD1 ILE 12 -0.445 2.889 6.145
76 HD12 ILE 12 1HD1 ILE 12 -0.371 1.476 5.093
77 HD13 ILE 12 2HD1 ILE 12 -1.766 1.720 6.143
78 H MET 13 H MET 13 1.094 6.240 3.315
79 HA MET 13 HA MET 13 -0.038 8.863 3.717
80 HB2 MET 13 2HB MET 13 2.671 7.655 3.220
81 HB3 MET 13 1HB MET 13 2.491 9.410 3.192
82 HG2 MET 13 2HG MET 13 1.125 8.864 5.457
83 HG3 MET 13 1HG MET 13 2.267 7.520 5.476
84 HE1 MET 13 3HE MET 13 5.705 9.047 5.514
85 HE2 MET 13 1HE MET 13 4.848 8.741 3.997
86 HE3 MET 13 2HE MET 13 4.668 7.632 5.353
87 H LYS 14 H LYS 14 1.217 7.133 0.892
88 HA LYS 14 HA LYS 14 1.395 9.324 -0.925
89 HB2 LYS 14 2HB LYS 14 0.783 6.371 -1.257
90 HB3 LYS 14 1HB LYS 14 1.145 7.447 -2.606
91 HG2 LYS 14 2HG LYS 14 3.347 7.896 -1.778
92 HG3 LYS 14 1HG LYS 14 2.990 7.129 -0.231
93 HD2 LYS 14 2HD LYS 14 4.163 5.435 -1.330
94 HD3 LYS 14 1HD LYS 14 2.494 5.015 -1.713
95 HE2 LYS 14 2HE LYS 14 3.453 4.943 -3.844
96 HE3 LYS 14 1HE LYS 14 2.936 6.641 -3.789
97 HZ1 LYS 14 3HZ LYS 14 5.503 5.995 -2.567
98 HZ2 LYS 14 1HZ LYS 14 5.034 7.377 -3.431
99 HZ3 LYS 14 2HZ LYS 14 5.442 5.953 -4.264
100 H GLY 15 H GLY 15 -1.352 7.478 0.255
101 HA2 GLY 15 2HA GLY 15 -3.517 8.784 0.126
102 HA3 GLY 15 1HA GLY 15 -3.114 9.018 -1.571
103 H TYR 16 H TYR 16 -2.116 5.971 -0.556
104 HA TYR 16 HA TYR 16 -4.324 4.696 -2.050
105 HB2 TYR 16 2HB TYR 16 -1.763 3.641 -0.807
106 HB3 TYR 16 1HB TYR 16 -2.806 2.751 -1.913
107 HD1 TYR 16 2HD TYR 16 -3.541 4.580 -3.977
108 HD2 TYR 16 1HD TYR 16 0.204 4.269 -1.899
109 HE1 TYR 16 2HE TYR 16 -2.384 5.618 -5.908
110 HE2 TYR 16 1HE TYR 16 1.362 5.308 -3.830
111 HH TYR 16 HH TYR 16 0.325 7.042 -5.876
112 H ASN 17 H ASN 17 -4.028 2.160 -0.616
113 HA ASN 17 HA ASN 17 -5.462 2.848 1.930
114 HB2 ASN 17 2HB ASN 17 -6.961 1.947 0.250
115 HB3 ASN 17 1HB ASN 17 -5.848 0.624 -0.096
116 HD21 ASN 17 1HD2 ASN 17 -6.799 -1.248 0.730
117 HD22 ASN 17 2HD2 ASN 17 -7.486 -1.384 2.277
118 H THR 18 H THR 18 -3.200 0.645 0.314
119 HA THR 18 HA THR 18 -1.704 0.148 2.730
120 HB THR 18 HB THR 18 -3.685 -1.113 3.346
121 HG1 THR 18 1HG THR 18 -1.816 -2.181 3.869
122 HG21 THR 18 3HG2 THR 18 -3.393 -2.743 0.825
123 HG22 THR 18 1HG2 THR 18 -4.413 -1.306 0.884
124 HG23 THR 18 2HG2 THR 18 -4.760 -2.680 1.935
125 H GLY 19 H GLY 19 0.133 -1.281 2.297
126 HA2 GLY 19 2HA GLY 19 0.418 -2.554 -0.307
127 HA3 GLY 19 1HA GLY 19 1.364 -1.070 -0.170
128 H SER 20 H SER 20 2.940 -3.121 -0.546
129 HA SER 20 HA SER 20 4.405 -3.408 1.966
130 HB2 SER 20 2HB SER 20 2.447 -5.384 1.076
131 HB3 SER 20 1HB SER 20 4.049 -6.091 1.264
132 HG SER 20 HG SER 20 2.312 -5.063 3.144
133 H CYS 21 H CYS 21 6.018 -5.565 1.316
134 HA CYS 21 HA CYS 21 7.571 -4.489 -0.933
135 HB2 CYS 21 2HB CYS 21 8.511 -5.306 1.248
136 HB3 CYS 21 1HB CYS 21 7.992 -6.935 0.814
137 H VAL 22 H VAL 22 7.798 -5.477 -2.952
138 HA VAL 22 HA VAL 22 6.423 -8.099 -3.389
139 HB VAL 22 HB VAL 22 6.135 -5.529 -4.977
140 HG11 VAL 22 1HG1 VAL 22 6.145 -7.411 -6.505
141 HG12 VAL 22 2HG1 VAL 22 4.474 -6.885 -6.298
142 HG13 VAL 22 3HG1 VAL 22 5.056 -8.322 -5.458
143 HG21 VAL 22 3HG2 VAL 22 3.643 -6.137 -4.327
144 HG22 VAL 22 1HG2 VAL 22 4.677 -5.291 -3.176
145 HG23 VAL 22 2HG2 VAL 22 4.423 -7.028 -3.021
146 H ARG 23 H ARG 23 7.684 -9.466 -4.613
147 HA ARG 23 HA ARG 23 9.648 -10.190 -5.744
148 HB2 ARG 23 2HB ARG 23 8.579 -7.823 -7.310
149 HB3 ARG 23 1HB ARG 23 9.813 -8.916 -7.940
150 HG2 ARG 23 2HG ARG 23 8.239 -10.831 -7.527
151 HG3 ARG 23 1HG ARG 23 6.998 -9.656 -7.091
152 HD2 ARG 23 2HD ARG 23 7.155 -8.630 -9.329
153 HD3 ARG 23 1HD ARG 23 8.423 -9.790 -9.774
154 HE ARG 23 HE ARG 23 6.389 -11.410 -8.858
155 HH11 ARG 23 1HH2 ARG 23 6.630 -8.841 -11.154
156 HH12 ARG 23 2HH2 ARG 23 5.370 -9.458 -12.170
157 HH21 ARG 23 1HH1 ARG 23 4.745 -12.224 -10.176
158 HH22 ARG 23 2HH1 ARG 23 4.304 -11.370 -11.617
159 H GLY 24 H GLY 24 10.104 -8.214 -3.563
160 HA2 GLY 24 2HA GLY 24 12.075 -7.203 -2.728
161 HA3 GLY 24 1HA GLY 24 12.830 -7.455 -4.304
162 H SER 25 H SER 25 9.726 -5.850 -3.881
163 HA SER 25 HA SER 25 11.029 -3.226 -4.500
164 HB2 SER 25 2HB SER 25 9.618 -4.878 -6.270
165 HB3 SER 25 1HB SER 25 8.458 -3.635 -5.811
166 HG SER 25 HG SER 25 11.085 -2.881 -6.420
167 H CYS 26 H CYS 26 8.428 -1.945 -4.809
168 HA CYS 26 HA CYS 26 7.097 -2.343 -2.175
169 HB2 CYS 26 2HB CYS 26 9.080 -0.733 -2.056
170 HB3 CYS 26 1HB CYS 26 8.156 0.337 -3.108
171 H GLN 27 H GLN 27 5.009 -2.647 -2.938
172 HA GLN 27 HA GLN 27 3.971 -0.665 -4.941
173 HB2 GLN 27 2HB GLN 27 3.837 -3.607 -4.649
174 HB3 GLN 27 1HB GLN 27 2.315 -2.836 -5.097
175 HG2 GLN 27 2HG GLN 27 3.771 -1.546 -6.844
176 HG3 GLN 27 1HG GLN 27 4.931 -2.850 -6.584
177 HE21 GLN 27 1HE2 GLN 27 2.740 -4.844 -6.048
178 HE22 GLN 27 2HE2 GLN 27 2.065 -5.189 -7.568
179 H CYS 28 H CYS 28 1.854 0.167 -4.546
180 HA CYS 28 HA CYS 28 0.773 -0.376 -1.797
181 HB2 CYS 28 2HB CYS 28 0.613 2.164 -3.451
182 HB3 CYS 28 1HB CYS 28 0.161 1.976 -1.757
183 H ARG 29 H ARG 29 -1.599 -0.186 -1.627
184 HA ARG 29 HA ARG 29 -3.035 -0.501 -4.240
185 HB2 ARG 29 2HB ARG 29 -2.998 -2.218 -1.761
186 HB3 ARG 29 1HB ARG 29 -4.386 -2.247 -2.849
187 HG2 ARG 29 2HG ARG 29 -1.720 -2.468 -4.137
188 HG3 ARG 29 1HG ARG 29 -2.233 -3.854 -3.173
189 HD2 ARG 29 2HD ARG 29 -4.528 -3.200 -4.606
190 HD3 ARG 29 1HD ARG 29 -3.218 -2.962 -5.780
191 HE ARG 29 HE ARG 29 -2.731 -5.368 -4.305
192 HH11 ARG 29 1HH2 ARG 29 -4.824 -3.991 -6.682
193 HH12 ARG 29 2HH2 ARG 29 -5.147 -5.503 -7.460
194 HH21 ARG 29 1HH1 ARG 29 -3.145 -7.345 -5.312
195 HH22 ARG 29 2HH1 ARG 29 -4.198 -7.400 -6.688
196 H ARG 30 H ARG 30 -5.148 0.375 -4.250
197 HA ARG 30 HA ARG 30 -5.746 2.294 -2.084
198 HB2 ARG 30 2HB ARG 30 -6.685 1.682 -4.869
199 HB3 ARG 30 1HB ARG 30 -7.715 2.658 -3.821
200 HG2 ARG 30 2HG ARG 30 -5.199 3.760 -3.434
201 HG3 ARG 30 1HG ARG 30 -5.212 3.378 -5.156
202 HD2 ARG 30 2HD ARG 30 -7.723 4.457 -4.812
203 HD3 ARG 30 1HD ARG 30 -6.743 5.428 -3.695
204 HE ARG 30 HE ARG 30 -5.555 6.286 -5.555
205 HH11 ARG 30 1HH2 ARG 30 -7.379 3.466 -6.363
206 HH12 ARG 30 2HH2 ARG 30 -7.068 3.595 -8.061
207 HH21 ARG 30 1HH1 ARG 30 -5.144 6.462 -7.767
208 HH22 ARG 30 2HH1 ARG 30 -5.805 5.288 -8.855
209 H THR 31 H THR 31 -8.537 2.296 -2.163
210 HA THR 31 HA THR 31 -9.157 -0.070 -0.525
211 HB THR 31 HB THR 31 -11.257 1.189 -0.147
212 HG1 THR 31 1HG THR 31 -11.869 2.539 -1.608
213 HG21 THR 31 3HG2 THR 31 -10.269 2.791 1.178
214 HG22 THR 31 1HG2 THR 31 -9.173 3.321 -0.098
215 HG23 THR 31 2HG2 THR 31 -8.838 1.836 0.792
216 H SER 32 H SER 32 -9.347 0.740 -3.824
217 HA SER 32 HA SER 32 -11.576 -1.214 -4.280
218 HB2 SER 32 2HB SER 32 -10.575 0.571 -6.438
219 HB3 SER 32 1HB SER 32 -12.231 0.150 -6.009
220 HG SER 32 HG SER 32 -10.841 2.319 -5.352
221 H GLY 33 H GLY 33 -8.395 -0.170 -5.552
222 HA2 GLY 33 2HA GLY 33 -6.854 -1.335 -6.901
223 HA3 GLY 33 1HA GLY 33 -7.216 -2.674 -5.811
Start of MODEL 19
1 H1 ALA 1 1HT ALA 1 15.467 -1.867 -1.085
2 H2 ALA 1 2HT ALA 1 15.590 -3.435 -0.441
3 H3 ALA 1 3HT ALA 1 16.929 -2.388 -0.400
4 HA ALA 1 HA ALA 1 15.609 -2.678 1.759
5 HB1 ALA 1 2HB ALA 1 16.077 0.075 0.573
6 HB2 ALA 1 3HB ALA 1 17.371 -0.985 1.128
7 HB3 ALA 1 1HB ALA 1 16.180 -0.373 2.276
8 H CYS 2 H CYS 2 13.434 -3.304 0.237
9 HA CYS 2 HA CYS 2 11.528 -1.138 -0.059
10 HB2 CYS 2 2HB CYS 2 10.051 -2.933 -0.686
11 HB3 CYS 2 1HB CYS 2 11.650 -3.359 -1.291
12 H ASN 3 H ASN 3 12.201 -3.559 2.437
13 HA ASN 3 HA ASN 3 11.338 -3.810 4.623
14 HB2 ASN 3 2HB ASN 3 12.570 -1.664 4.706
15 HB3 ASN 3 1HB ASN 3 11.105 -0.812 4.221
16 HD21 ASN 3 1HD2 ASN 3 11.491 -3.516 6.568
17 HD22 ASN 3 2HD2 ASN 3 10.843 -2.663 7.883
18 H ASP 4 H ASP 4 9.362 -4.885 4.539
19 HA ASP 4 HA ASP 4 6.956 -3.987 3.352
20 HB2 ASP 4 2HB ASP 4 7.468 -6.287 4.117
21 HB3 ASP 4 1HB ASP 4 7.405 -5.740 5.793
22 H ARG 5 H ARG 5 8.349 -3.282 6.522
23 HA ARG 5 HA ARG 5 6.002 -2.140 7.734
24 HB2 ARG 5 2HB ARG 5 8.597 -2.790 8.433
25 HB3 ARG 5 1HB ARG 5 8.618 -1.026 8.489
26 HG2 ARG 5 2HG ARG 5 6.550 -2.765 9.867
27 HG3 ARG 5 1HG ARG 5 7.947 -2.048 10.666
28 HD2 ARG 5 2HD ARG 5 6.373 -0.110 9.098
29 HD3 ARG 5 1HD ARG 5 5.494 -0.821 10.465
30 HE ARG 5 HE ARG 5 8.232 -0.044 11.133
31 HH11 ARG 5 1HH2 ARG 5 4.930 0.931 10.839
32 HH12 ARG 5 2HH2 ARG 5 5.076 2.223 11.982
33 HH21 ARG 5 1HH1 ARG 5 8.430 1.637 12.626
34 HH22 ARG 5 2HH1 ARG 5 7.054 2.622 12.993
35 H ASP 6 H ASP 6 8.852 -0.555 6.230
36 HA ASP 6 HA ASP 6 7.672 2.087 6.273
37 HB2 ASP 6 2HB ASP 6 9.995 0.752 4.868
38 HB3 ASP 6 1HB ASP 6 9.627 2.460 4.629
39 H CYS 7 H CYS 7 7.463 -0.632 4.101
40 HA CYS 7 HA CYS 7 6.730 0.754 1.690
41 HB2 CYS 7 2HB CYS 7 7.463 -1.596 1.819
42 HB3 CYS 7 1HB CYS 7 6.032 -2.001 2.766
43 H SER 8 H SER 8 4.691 -0.898 4.143
44 HA SER 8 HA SER 8 2.177 -0.044 3.099
45 HB2 SER 8 2HB SER 8 1.695 -0.366 5.730
46 HB3 SER 8 1HB SER 8 1.989 -1.734 4.659
47 HG SER 8 HG SER 8 3.833 -0.384 6.341
48 H LEU 9 H LEU 9 4.310 1.401 5.577
49 HA LEU 9 HA LEU 9 2.653 3.586 6.333
50 HB2 LEU 9 2HB LEU 9 5.521 2.823 6.382
51 HB3 LEU 9 1HB LEU 9 5.196 4.548 6.546
52 HG LEU 9 HG LEU 9 3.546 2.656 8.168
53 HD11 LEU 9 1HD1 LEU 9 5.626 3.248 9.865
54 HD12 LEU 9 2HD1 LEU 9 6.474 2.944 8.349
55 HD13 LEU 9 3HD1 LEU 9 5.422 1.706 9.034
56 HD21 LEU 9 3HD2 LEU 9 4.738 5.419 8.545
57 HD22 LEU 9 1HD2 LEU 9 3.845 4.567 9.805
58 HD23 LEU 9 2HD2 LEU 9 3.039 5.014 8.302
59 H ASP 10 H ASP 10 5.221 3.437 3.837
60 HA ASP 10 HA ASP 10 4.776 6.108 2.843
61 HB2 ASP 10 2HB ASP 10 6.623 4.071 2.561
62 HB3 ASP 10 1HB ASP 10 5.834 4.084 0.983
63 H CYS 11 H CYS 11 3.598 2.893 1.863
64 HA CYS 11 HA CYS 11 2.237 3.647 -0.521
65 HB2 CYS 11 2HB CYS 11 2.049 1.481 1.547
66 HB3 CYS 11 1HB CYS 11 0.783 1.590 0.326
67 H ILE 12 H ILE 12 1.263 3.783 2.888
68 HA ILE 12 HA ILE 12 -1.495 4.546 2.331
69 HB ILE 12 HB ILE 12 0.293 4.677 4.780
70 HG12 ILE 12 2HG1 ILE 12 -1.982 2.766 4.266
71 HG13 ILE 12 1HG1 ILE 12 -0.369 2.431 3.637
72 HG21 ILE 12 1HG2 ILE 12 -2.691 5.103 4.465
73 HG22 ILE 12 2HG2 ILE 12 -1.510 6.265 5.071
74 HG23 ILE 12 3HG2 ILE 12 -1.899 4.827 6.015
75 HD11 ILE 12 3HD1 ILE 12 0.461 1.937 5.693
76 HD12 ILE 12 1HD1 ILE 12 -1.231 1.742 6.152
77 HD13 ILE 12 2HD1 ILE 12 -0.404 3.268 6.460
78 H MET 13 H MET 13 1.555 6.222 2.774
79 HA MET 13 HA MET 13 0.346 8.857 3.197
80 HB2 MET 13 2HB MET 13 2.950 7.552 3.214
81 HB3 MET 13 1HB MET 13 3.023 9.113 2.395
82 HG2 MET 13 2HG MET 13 1.926 10.177 4.343
83 HG3 MET 13 1HG MET 13 1.886 8.617 5.165
84 HE1 MET 13 3HE MET 13 5.156 9.546 2.888
85 HE2 MET 13 1HE MET 13 5.528 10.998 3.827
86 HE3 MET 13 2HE MET 13 3.953 10.823 3.057
87 H LYS 14 H LYS 14 1.695 7.030 0.471
88 HA LYS 14 HA LYS 14 1.910 9.097 -1.452
89 HB2 LYS 14 2HB LYS 14 1.198 6.157 -1.602
90 HB3 LYS 14 1HB LYS 14 1.504 7.135 -3.037
91 HG2 LYS 14 2HG LYS 14 3.751 7.634 -2.304
92 HG3 LYS 14 1HG LYS 14 3.459 6.874 -0.739
93 HD2 LYS 14 2HD LYS 14 4.492 5.109 -1.802
94 HD3 LYS 14 1HD LYS 14 2.832 4.794 -2.304
95 HE2 LYS 14 2HE LYS 14 3.403 6.368 -4.323
96 HE3 LYS 14 1HE LYS 14 5.086 5.991 -3.901
97 HZ1 LYS 14 3HZ LYS 14 4.032 3.586 -3.696
98 HZ2 LYS 14 1HZ LYS 14 4.646 4.175 -5.163
99 HZ3 LYS 14 2HZ LYS 14 2.974 4.220 -4.865
100 H GLY 15 H GLY 15 -0.928 7.361 -0.267
101 HA2 GLY 15 2HA GLY 15 -2.978 8.953 -0.530
102 HA3 GLY 15 1HA GLY 15 -2.617 8.774 -2.242
103 H TYR 16 H TYR 16 -1.740 5.886 -1.046
104 HA TYR 16 HA TYR 16 -4.263 4.619 -1.896
105 HB2 TYR 16 2HB TYR 16 -1.663 3.395 -0.935
106 HB3 TYR 16 1HB TYR 16 -2.887 2.639 -1.952
107 HD1 TYR 16 2HD TYR 16 -3.540 4.299 -4.068
108 HD2 TYR 16 1HD TYR 16 0.254 4.050 -2.071
109 HE1 TYR 16 2HE TYR 16 -2.418 5.200 -6.088
110 HE2 TYR 16 1HE TYR 16 1.377 4.951 -4.090
111 HH TYR 16 HH TYR 16 -0.164 6.518 -6.505
112 H ASN 17 H ASN 17 -3.846 2.256 -0.210
113 HA ASN 17 HA ASN 17 -4.675 3.367 2.454
114 HB2 ASN 17 2HB ASN 17 -6.578 2.517 1.206
115 HB3 ASN 17 1HB ASN 17 -5.720 1.020 0.841
116 HD21 ASN 17 1HD2 ASN 17 -7.925 2.408 3.011
117 HD22 ASN 17 2HD2 ASN 17 -7.778 1.280 4.271
118 H THR 18 H THR 18 -2.780 1.010 0.696
119 HA THR 18 HA THR 18 -1.119 0.419 2.982
120 HB THR 18 HB THR 18 -3.145 -0.764 3.684
121 HG1 THR 18 1HG THR 18 -1.530 -2.820 2.696
122 HG21 THR 18 3HG2 THR 18 -4.124 -2.530 2.310
123 HG22 THR 18 1HG2 THR 18 -2.905 -2.266 1.063
124 HG23 THR 18 2HG2 THR 18 -4.105 -1.018 1.402
125 H GLY 19 H GLY 19 0.420 -1.439 2.431
126 HA2 GLY 19 2HA GLY 19 0.526 -2.422 -0.292
127 HA3 GLY 19 1HA GLY 19 1.678 -1.111 -0.032
128 H SER 20 H SER 20 2.841 -3.444 -0.640
129 HA SER 20 HA SER 20 4.120 -4.237 1.922
130 HB2 SER 20 2HB SER 20 2.586 -6.017 0.025
131 HB3 SER 20 1HB SER 20 3.809 -6.671 1.109
132 HG SER 20 HG SER 20 1.770 -6.722 2.088
133 H CYS 21 H CYS 21 5.934 -5.971 1.258
134 HA CYS 21 HA CYS 21 7.586 -4.653 -0.780
135 HB2 CYS 21 2HB CYS 21 7.854 -6.759 1.330
136 HB3 CYS 21 1HB CYS 21 9.056 -6.731 0.038
137 H VAL 22 H VAL 22 7.438 -5.235 -2.911
138 HA VAL 22 HA VAL 22 6.724 -8.082 -3.546
139 HB VAL 22 HB VAL 22 5.920 -5.439 -4.785
140 HG11 VAL 22 1HG1 VAL 22 5.537 -8.239 -5.894
141 HG12 VAL 22 2HG1 VAL 22 6.541 -6.972 -6.602
142 HG13 VAL 22 3HG1 VAL 22 4.788 -6.778 -6.541
143 HG21 VAL 22 3HG2 VAL 22 4.571 -7.684 -3.324
144 HG22 VAL 22 1HG2 VAL 22 3.649 -6.782 -4.526
145 HG23 VAL 22 2HG2 VAL 22 4.353 -5.943 -3.144
146 H ARG 23 H ARG 23 8.306 -9.111 -4.692
147 HA ARG 23 HA ARG 23 10.326 -9.410 -5.893
148 HB2 ARG 23 2HB ARG 23 8.936 -7.145 -7.358
149 HB3 ARG 23 1HB ARG 23 10.247 -8.113 -8.035
150 HG2 ARG 23 2HG ARG 23 8.808 -10.164 -7.524
151 HG3 ARG 23 1HG ARG 23 7.482 -9.038 -7.231
152 HD2 ARG 23 2HD ARG 23 9.091 -9.067 -9.806
153 HD3 ARG 23 1HD ARG 23 7.548 -9.921 -9.599
154 HE ARG 23 HE ARG 23 7.303 -7.200 -8.690
155 HH11 ARG 23 1HH2 ARG 23 7.537 -9.185 -11.509
156 HH12 ARG 23 2HH2 ARG 23 6.652 -8.086 -12.512
157 HH21 ARG 23 1HH1 ARG 23 6.150 -5.761 -9.990
158 HH22 ARG 23 2HH1 ARG 23 5.869 -6.149 -11.654
159 H GLY 24 H GLY 24 11.100 -8.157 -3.685
160 HA2 GLY 24 2HA GLY 24 12.673 -6.679 -2.770
161 HA3 GLY 24 1HA GLY 24 13.380 -6.641 -4.386
162 H SER 25 H SER 25 10.071 -5.638 -3.938
163 HA SER 25 HA SER 25 10.919 -2.769 -4.089
164 HB2 SER 25 2HB SER 25 10.211 -4.102 -6.273
165 HB3 SER 25 1HB SER 25 8.587 -3.808 -5.663
166 HG SER 25 HG SER 25 9.553 -2.157 -7.089
167 H CYS 26 H CYS 26 8.222 -1.826 -4.366
168 HA CYS 26 HA CYS 26 6.731 -2.908 -2.042
169 HB2 CYS 26 2HB CYS 26 8.214 -1.407 -0.941
170 HB3 CYS 26 1HB CYS 26 8.078 -0.208 -2.224
171 H GLN 27 H GLN 27 4.716 -3.107 -2.957
172 HA GLN 27 HA GLN 27 3.789 -1.012 -4.876
173 HB2 GLN 27 2HB GLN 27 3.471 -3.907 -4.494
174 HB3 GLN 27 1HB GLN 27 1.948 -3.086 -4.830
175 HG2 GLN 27 2HG GLN 27 4.140 -2.139 -6.525
176 HG3 GLN 27 1HG GLN 27 3.807 -3.859 -6.734
177 HE21 GLN 27 1HE2 GLN 27 1.389 -4.404 -7.071
178 HE22 GLN 27 2HE2 GLN 27 0.459 -3.297 -7.962
179 H CYS 28 H CYS 28 1.640 -0.104 -4.568
180 HA CYS 28 HA CYS 28 0.657 -0.286 -1.736
181 HB2 CYS 28 2HB CYS 28 0.475 2.055 -3.654
182 HB3 CYS 28 1HB CYS 28 0.159 2.072 -1.919
183 H ARG 29 H ARG 29 -1.694 0.014 -1.497
184 HA ARG 29 HA ARG 29 -3.302 -0.371 -3.983
185 HB2 ARG 29 2HB ARG 29 -2.861 -2.233 -1.691
186 HB3 ARG 29 1HB ARG 29 -4.492 -2.153 -2.358
187 HG2 ARG 29 2HG ARG 29 -2.570 -2.241 -4.507
188 HG3 ARG 29 1HG ARG 29 -2.288 -3.585 -3.400
189 HD2 ARG 29 2HD ARG 29 -5.092 -3.431 -3.675
190 HD3 ARG 29 1HD ARG 29 -4.435 -3.255 -5.314
191 HE ARG 29 HE ARG 29 -4.248 -5.646 -3.670
192 HH11 ARG 29 1HH2 ARG 29 -2.694 -3.687 -6.053
193 HH12 ARG 29 2HH2 ARG 29 -1.777 -4.996 -6.718
194 HH21 ARG 29 1HH1 ARG 29 -3.056 -7.359 -4.529
195 HH22 ARG 29 2HH1 ARG 29 -1.981 -7.073 -5.856
196 H ARG 30 H ARG 30 -5.477 0.372 -3.748
197 HA ARG 30 HA ARG 30 -5.913 2.167 -1.417
198 HB2 ARG 30 2HB ARG 30 -7.424 1.797 -4.027
199 HB3 ARG 30 1HB ARG 30 -7.636 3.126 -2.885
200 HG2 ARG 30 2HG ARG 30 -4.993 3.350 -3.256
201 HG3 ARG 30 1HG ARG 30 -5.408 2.611 -4.802
202 HD2 ARG 30 2HD ARG 30 -6.592 5.162 -3.647
203 HD3 ARG 30 1HD ARG 30 -5.552 5.022 -5.079
204 HE ARG 30 HE ARG 30 -7.833 3.282 -5.331
205 HH11 ARG 30 1HH2 ARG 30 -6.816 6.582 -5.459
206 HH12 ARG 30 2HH2 ARG 30 -8.058 7.054 -6.568
207 HH21 ARG 30 1HH1 ARG 30 -9.456 3.891 -6.777
208 HH22 ARG 30 2HH1 ARG 30 -9.551 5.534 -7.314
209 H THR 31 H THR 31 -8.861 2.039 -1.952
210 HA THR 31 HA THR 31 -9.471 -0.170 -0.108
211 HB THR 31 HB THR 31 -11.845 0.907 -0.651
212 HG1 THR 31 1HG THR 31 -11.740 2.769 -1.675
213 HG21 THR 31 3HG2 THR 31 -11.544 1.991 1.318
214 HG22 THR 31 1HG2 THR 31 -10.155 2.893 0.712
215 HG23 THR 31 2HG2 THR 31 -9.946 1.244 1.304
216 H SER 32 H SER 32 -8.684 -1.740 -1.938
217 HA SER 32 HA SER 32 -10.777 -2.205 -4.008
218 HB2 SER 32 2HB SER 32 -8.267 -2.088 -4.458
219 HB3 SER 32 1HB SER 32 -8.124 -3.603 -3.574
220 HG SER 32 HG SER 32 -9.661 -3.093 -5.908
221 H GLY 33 H GLY 33 -12.458 -3.323 -2.980
222 HA2 GLY 33 2HA GLY 33 -13.536 -5.046 -1.797
223 HA3 GLY 33 1HA GLY 33 -12.302 -6.076 -2.524
Start of MODEL 20
1 H1 ALA 1 1HT ALA 1 18.196 -5.460 0.925
2 H2 ALA 1 2HT ALA 1 17.387 -5.413 2.418
3 H3 ALA 1 3HT ALA 1 17.422 -4.035 1.425
4 HA ALA 1 HA ALA 1 16.270 -5.624 -0.295
5 HB1 ALA 1 2HB ALA 1 16.294 -7.660 0.809
6 HB2 ALA 1 3HB ALA 1 14.743 -7.050 1.383
7 HB3 ALA 1 1HB ALA 1 16.176 -6.912 2.403
8 H CYS 2 H CYS 2 13.817 -5.341 -0.331
9 HA CYS 2 HA CYS 2 13.103 -2.686 0.571
10 HB2 CYS 2 2HB CYS 2 11.067 -3.157 -0.615
11 HB3 CYS 2 1HB CYS 2 12.348 -3.980 -1.499
12 H ASN 3 H ASN 3 11.268 -2.214 2.040
13 HA ASN 3 HA ASN 3 10.873 -4.343 4.122
14 HB2 ASN 3 2HB ASN 3 11.193 -1.338 4.419
15 HB3 ASN 3 1HB ASN 3 10.918 -2.466 5.747
16 HD21 ASN 3 1HD2 ASN 3 12.676 -3.964 6.302
17 HD22 ASN 3 2HD2 ASN 3 14.262 -3.684 5.766
18 H ASP 4 H ASP 4 8.753 -4.603 4.852
19 HA ASP 4 HA ASP 4 6.606 -3.431 3.258
20 HB2 ASP 4 2HB ASP 4 6.786 -5.268 5.659
21 HB3 ASP 4 1HB ASP 4 5.246 -4.810 4.931
22 H ARG 5 H ARG 5 8.046 -2.849 6.417
23 HA ARG 5 HA ARG 5 5.942 -1.304 7.595
24 HB2 ARG 5 2HB ARG 5 8.572 -2.167 8.157
25 HB3 ARG 5 1HB ARG 5 8.607 -0.408 8.296
26 HG2 ARG 5 2HG ARG 5 6.275 -1.794 9.519
27 HG3 ARG 5 1HG ARG 5 7.831 -1.998 10.326
28 HD2 ARG 5 2HD ARG 5 6.662 0.700 9.556
29 HD3 ARG 5 1HD ARG 5 6.574 -0.006 11.183
30 HE ARG 5 HE ARG 5 9.248 -0.212 10.585
31 HH11 ARG 5 1HH2 ARG 5 6.925 2.339 10.444
32 HH12 ARG 5 2HH2 ARG 5 8.083 3.585 10.757
33 HH21 ARG 5 1HH1 ARG 5 10.768 1.404 10.992
34 HH22 ARG 5 2HH1 ARG 5 10.258 3.059 11.067
35 H ASP 6 H ASP 6 8.909 -0.200 5.898
36 HA ASP 6 HA ASP 6 8.080 2.571 5.808
37 HB2 ASP 6 2HB ASP 6 10.102 0.952 4.218
38 HB3 ASP 6 1HB ASP 6 10.036 2.713 4.263
39 H CYS 7 H CYS 7 7.530 -0.224 3.766
40 HA CYS 7 HA CYS 7 6.786 1.195 1.358
41 HB2 CYS 7 2HB CYS 7 7.488 -1.201 1.551
42 HB3 CYS 7 1HB CYS 7 5.975 -1.544 2.390
43 H SER 8 H SER 8 4.778 -0.472 3.825
44 HA SER 8 HA SER 8 2.252 0.410 2.882
45 HB2 SER 8 2HB SER 8 1.643 -0.017 5.337
46 HB3 SER 8 1HB SER 8 2.436 -1.348 4.500
47 HG SER 8 HG SER 8 3.284 0.171 6.608
48 H LEU 9 H LEU 9 4.356 1.846 5.406
49 HA LEU 9 HA LEU 9 2.819 4.058 6.155
50 HB2 LEU 9 2HB LEU 9 5.589 3.198 6.155
51 HB3 LEU 9 1HB LEU 9 5.487 4.939 5.898
52 HG LEU 9 HG LEU 9 3.924 3.551 8.078
53 HD11 LEU 9 1HD1 LEU 9 5.978 3.092 8.968
54 HD12 LEU 9 2HD1 LEU 9 5.942 4.801 9.399
55 HD13 LEU 9 3HD1 LEU 9 6.796 4.275 7.948
56 HD21 LEU 9 3HD2 LEU 9 4.893 6.411 7.803
57 HD22 LEU 9 1HD2 LEU 9 3.750 5.786 8.992
58 HD23 LEU 9 2HD2 LEU 9 3.295 5.869 7.289
59 H ASP 10 H ASP 10 5.202 3.945 3.477
60 HA ASP 10 HA ASP 10 4.603 6.547 2.428
61 HB2 ASP 10 2HB ASP 10 6.477 4.624 2.037
62 HB3 ASP 10 1HB ASP 10 5.469 4.351 0.616
63 H CYS 11 H CYS 11 3.514 3.289 1.426
64 HA CYS 11 HA CYS 11 1.808 4.028 -0.698
65 HB2 CYS 11 2HB CYS 11 1.884 1.812 1.343
66 HB3 CYS 11 1HB CYS 11 0.604 1.861 0.132
67 H ILE 12 H ILE 12 1.210 3.981 2.803
68 HA ILE 12 HA ILE 12 -1.624 4.643 2.553
69 HB ILE 12 HB ILE 12 0.418 4.549 4.785
70 HG12 ILE 12 2HG1 ILE 12 -2.084 2.900 4.332
71 HG13 ILE 12 1HG1 ILE 12 -0.505 2.434 3.696
72 HG21 ILE 12 1HG2 ILE 12 -2.514 5.304 4.894
73 HG22 ILE 12 2HG2 ILE 12 -1.140 6.268 5.438
74 HG23 ILE 12 3HG2 ILE 12 -1.588 4.799 6.308
75 HD11 ILE 12 3HD1 ILE 12 -0.545 1.307 5.744
76 HD12 ILE 12 1HD1 ILE 12 -1.413 2.612 6.556
77 HD13 ILE 12 2HD1 ILE 12 0.298 2.798 6.169
78 H MET 13 H MET 13 1.372 6.413 2.648
79 HA MET 13 HA MET 13 0.232 8.950 3.529
80 HB2 MET 13 2HB MET 13 2.799 7.773 2.760
81 HB3 MET 13 1HB MET 13 2.622 9.427 2.175
82 HG2 MET 13 2HG MET 13 1.922 10.097 4.498
83 HG3 MET 13 1HG MET 13 2.326 8.466 5.035
84 HE1 MET 13 3HE MET 13 4.870 11.269 6.180
85 HE2 MET 13 1HE MET 13 3.118 11.060 6.054
86 HE3 MET 13 2HE MET 13 3.978 12.054 4.878
87 H LYS 14 H LYS 14 0.999 7.437 0.404
88 HA LYS 14 HA LYS 14 0.633 9.666 -1.306
89 HB2 LYS 14 2HB LYS 14 0.103 6.697 -1.586
90 HB3 LYS 14 1HB LYS 14 0.020 7.813 -2.949
91 HG2 LYS 14 2HG LYS 14 2.336 8.426 -2.687
92 HG3 LYS 14 1HG LYS 14 2.449 7.547 -1.161
93 HD2 LYS 14 2HD LYS 14 3.328 5.933 -2.546
94 HD3 LYS 14 1HD LYS 14 1.619 5.529 -2.725
95 HE2 LYS 14 2HE LYS 14 2.474 5.665 -4.961
96 HE3 LYS 14 1HE LYS 14 1.620 7.200 -4.704
97 HZ1 LYS 14 3HZ LYS 14 3.613 8.052 -5.313
98 HZ2 LYS 14 1HZ LYS 14 4.484 6.676 -4.837
99 HZ3 LYS 14 2HZ LYS 14 3.978 7.804 -3.673
100 H GLY 15 H GLY 15 -1.734 7.575 0.282
101 HA2 GLY 15 2HA GLY 15 -3.911 8.822 0.733
102 HA3 GLY 15 1HA GLY 15 -3.898 9.154 -0.994
103 H TYR 16 H TYR 16 -2.611 6.104 -0.439
104 HA TYR 16 HA TYR 16 -5.052 4.822 -1.485
105 HB2 TYR 16 2HB TYR 16 -2.270 3.792 -0.839
106 HB3 TYR 16 1HB TYR 16 -3.494 2.925 -1.763
107 HD1 TYR 16 1HD TYR 16 -4.661 5.213 -3.315
108 HD2 TYR 16 2HD TYR 16 -0.582 4.153 -2.484
109 HE1 TYR 16 1HE TYR 16 -3.938 6.380 -5.380
110 HE2 TYR 16 2HE TYR 16 0.142 5.321 -4.550
111 HH TYR 16 HH TYR 16 -0.777 6.037 -6.672
112 H ASN 17 H ASN 17 -4.045 2.262 -0.114
113 HA ASN 17 HA ASN 17 -5.273 2.788 2.575
114 HB2 ASN 17 2HB ASN 17 -6.820 1.569 1.225
115 HB3 ASN 17 1HB ASN 17 -5.547 0.526 0.586
116 HD21 ASN 17 1HD2 ASN 17 -7.016 -1.276 1.437
117 HD22 ASN 17 2HD2 ASN 17 -6.880 -1.707 3.073
118 H THR 18 H THR 18 -2.951 0.809 0.734
119 HA THR 18 HA THR 18 -1.097 0.716 2.974
120 HB THR 18 HB THR 18 -2.779 -0.858 3.777
121 HG1 THR 18 1HG THR 18 -0.584 -1.440 4.047
122 HG21 THR 18 3HG2 THR 18 -3.962 -2.183 2.394
123 HG22 THR 18 1HG2 THR 18 -2.494 -2.875 1.705
124 HG23 THR 18 2HG2 THR 18 -3.151 -1.374 1.053
125 H GLY 19 H GLY 19 0.278 -1.638 2.267
126 HA2 GLY 19 2HA GLY 19 0.657 -1.838 -0.600
127 HA3 GLY 19 1HA GLY 19 1.925 -0.871 0.156
128 H SER 20 H SER 20 3.211 -2.810 -0.743
129 HA SER 20 HA SER 20 3.832 -4.596 1.489
130 HB2 SER 20 2HB SER 20 2.388 -5.529 -0.997
131 HB3 SER 20 1HB SER 20 3.331 -6.637 -0.002
132 HG SER 20 HG SER 20 1.862 -6.521 1.517
133 H CYS 21 H CYS 21 5.608 -6.194 0.748
134 HA CYS 21 HA CYS 21 7.522 -4.720 -0.959
135 HB2 CYS 21 2HB CYS 21 7.537 -6.567 1.266
136 HB3 CYS 21 1HB CYS 21 8.580 -7.171 -0.021
137 H VAL 22 H VAL 22 7.932 -5.304 -3.059
138 HA VAL 22 HA VAL 22 7.107 -8.046 -3.954
139 HB VAL 22 HB VAL 22 6.644 -5.348 -5.265
140 HG11 VAL 22 1HG1 VAL 22 6.506 -6.411 -7.242
141 HG12 VAL 22 2HG1 VAL 22 5.299 -7.512 -6.575
142 HG13 VAL 22 3HG1 VAL 22 7.014 -7.910 -6.462
143 HG21 VAL 22 3HG2 VAL 22 4.237 -6.161 -5.100
144 HG22 VAL 22 1HG2 VAL 22 5.005 -5.772 -3.560
145 HG23 VAL 22 2HG2 VAL 22 4.832 -7.455 -4.059
146 H ARG 23 H ARG 23 8.786 -9.079 -4.964
147 HA ARG 23 HA ARG 23 10.974 -9.381 -5.838
148 HB2 ARG 23 2HB ARG 23 9.401 -7.424 -7.425
149 HB3 ARG 23 1HB ARG 23 11.124 -7.501 -7.796
150 HG2 ARG 23 2HG ARG 23 10.750 -10.088 -7.811
151 HG3 ARG 23 1HG ARG 23 9.050 -9.667 -8.019
152 HD2 ARG 23 2HD ARG 23 11.076 -8.317 -9.777
153 HD3 ARG 23 1HD ARG 23 10.585 -9.981 -10.152
154 HE ARG 23 HE ARG 23 8.905 -7.632 -10.425
155 HH11 ARG 23 1HH2 ARG 23 8.989 -10.985 -9.594
156 HH12 ARG 23 2HH2 ARG 23 7.340 -11.269 -10.037
157 HH21 ARG 23 1HH1 ARG 23 6.753 -7.994 -11.008
158 HH22 ARG 23 2HH1 ARG 23 6.075 -9.579 -10.835
159 H GLY 24 H GLY 24 11.152 -7.927 -3.465
160 HA2 GLY 24 2HA GLY 24 12.669 -6.550 -2.319
161 HA3 GLY 24 1HA GLY 24 13.631 -6.521 -3.799
162 H SER 25 H SER 25 10.299 -5.514 -3.896
163 HA SER 25 HA SER 25 11.210 -2.660 -4.094
164 HB2 SER 25 2HB SER 25 10.542 -4.054 -6.208
165 HB3 SER 25 1HB SER 25 8.895 -3.838 -5.624
166 HG SER 25 HG SER 25 10.595 -1.616 -5.735
167 H CYS 26 H CYS 26 8.537 -1.673 -4.464
168 HA CYS 26 HA CYS 26 7.061 -2.520 -2.022
169 HB2 CYS 26 2HB CYS 26 8.532 -0.850 -1.165
170 HB3 CYS 26 1HB CYS 26 8.322 0.170 -2.588
171 H GLN 27 H GLN 27 4.899 -2.536 -2.490
172 HA GLN 27 HA GLN 27 3.941 -0.856 -4.786
173 HB2 GLN 27 2HB GLN 27 3.672 -3.697 -4.031
174 HB3 GLN 27 1HB GLN 27 2.159 -2.935 -4.526
175 HG2 GLN 27 2HG GLN 27 4.645 -2.523 -6.167
176 HG3 GLN 27 1HG GLN 27 3.707 -4.004 -6.353
177 HE21 GLN 27 1HE2 GLN 27 1.775 -3.881 -7.569
178 HE22 GLN 27 2HE2 GLN 27 1.132 -2.434 -8.182
179 H CYS 28 H CYS 28 1.598 -0.231 -4.567
180 HA CYS 28 HA CYS 28 0.815 0.077 -1.685
181 HB2 CYS 28 2HB CYS 28 0.438 1.936 -4.056
182 HB3 CYS 28 1HB CYS 28 -0.116 2.261 -2.414
183 H ARG 29 H ARG 29 -1.556 0.245 -1.351
184 HA ARG 29 HA ARG 29 -3.202 -0.916 -3.559
185 HB2 ARG 29 2HB ARG 29 -2.580 -1.989 -0.831
186 HB3 ARG 29 1HB ARG 29 -4.187 -2.286 -1.497
187 HG2 ARG 29 2HG ARG 29 -1.991 -2.756 -3.403
188 HG3 ARG 29 1HG ARG 29 -1.985 -3.842 -2.013
189 HD2 ARG 29 2HD ARG 29 -4.665 -3.782 -2.699
190 HD3 ARG 29 1HD ARG 29 -3.854 -3.743 -4.277
191 HE ARG 29 HE ARG 29 -2.521 -5.641 -2.611
192 HH11 ARG 29 1HH2 ARG 29 -5.498 -5.097 -4.276
193 HH12 ARG 29 2HH2 ARG 29 -5.810 -6.780 -4.533
194 HH21 ARG 29 1HH1 ARG 29 -2.920 -7.839 -2.939
195 HH22 ARG 29 2HH1 ARG 29 -4.353 -8.331 -3.777
196 H ARG 30 H ARG 30 -5.288 -0.066 -3.607
197 HA ARG 30 HA ARG 30 -5.872 2.173 -1.772
198 HB2 ARG 30 2HB ARG 30 -7.437 1.023 -4.106
199 HB3 ARG 30 1HB ARG 30 -7.634 2.625 -3.394
200 HG2 ARG 30 2HG ARG 30 -5.553 3.379 -4.216
201 HG3 ARG 30 1HG ARG 30 -4.977 1.737 -4.510
202 HD2 ARG 30 2HD ARG 30 -7.450 2.438 -5.976
203 HD3 ARG 30 1HD ARG 30 -6.006 3.344 -6.471
204 HE ARG 30 HE ARG 30 -6.408 0.469 -6.805
205 HH11 ARG 30 1HH2 ARG 30 -4.149 3.045 -6.359
206 HH12 ARG 30 2HH2 ARG 30 -2.836 2.192 -7.096
207 HH21 ARG 30 1HH1 ARG 30 -4.703 -0.650 -7.769
208 HH22 ARG 30 2HH1 ARG 30 -3.148 0.103 -7.894
209 H THR 31 H THR 31 -8.506 2.192 -1.381
210 HA THR 31 HA THR 31 -9.002 -0.236 0.277
211 HB THR 31 HB THR 31 -10.898 1.991 0.440
212 HG1 THR 31 1HG THR 31 -9.500 3.530 0.309
213 HG21 THR 31 3HG2 THR 31 -9.121 0.394 2.250
214 HG22 THR 31 1HG2 THR 31 -10.874 0.592 2.294
215 HG23 THR 31 2HG2 THR 31 -9.826 1.898 2.845
216 H SER 32 H SER 32 -9.613 -1.529 -1.674
217 HA SER 32 HA SER 32 -12.406 -0.897 -2.572
218 HB2 SER 32 2HB SER 32 -10.068 -0.906 -4.071
219 HB3 SER 32 1HB SER 32 -10.752 -2.498 -4.389
220 HG SER 32 HG SER 32 -11.851 0.061 -4.840
221 H GLY 33 H GLY 33 -10.457 -3.029 -0.878
222 HA2 GLY 33 2HA GLY 33 -12.481 -5.192 -1.198
223 HA3 GLY 33 1HA GLY 33 -10.767 -5.598 -1.317
Start of MODEL 21
1 H1 ALA 1 1HT ALA 1 17.137 -2.946 0.018
2 H2 ALA 1 2HT ALA 1 16.600 -4.362 -0.751
3 H3 ALA 1 3HT ALA 1 17.833 -4.441 0.415
4 HA ALA 1 HA ALA 1 15.659 -5.195 1.291
5 HB1 ALA 1 2HB ALA 1 17.222 -4.487 2.890
6 HB2 ALA 1 3HB ALA 1 15.857 -3.422 3.226
7 HB3 ALA 1 1HB ALA 1 17.227 -2.829 2.288
8 H CYS 2 H CYS 2 13.538 -4.905 0.706
9 HA CYS 2 HA CYS 2 12.555 -2.304 -0.230
10 HB2 CYS 2 2HB CYS 2 10.531 -3.628 -0.673
11 HB3 CYS 2 1HB CYS 2 11.955 -4.498 -1.235
12 H ASN 3 H ASN 3 12.279 -4.324 2.655
13 HA ASN 3 HA ASN 3 11.440 -3.795 4.805
14 HB2 ASN 3 2HB ASN 3 12.568 -1.522 3.721
15 HB3 ASN 3 1HB ASN 3 10.945 -0.972 4.134
16 HD21 ASN 3 1HD2 ASN 3 13.954 -1.036 5.428
17 HD22 ASN 3 2HD2 ASN 3 13.575 -1.212 7.074
18 H ASP 4 H ASP 4 9.388 -4.569 5.160
19 HA ASP 4 HA ASP 4 7.128 -3.760 3.470
20 HB2 ASP 4 2HB ASP 4 7.534 -6.067 4.352
21 HB3 ASP 4 1HB ASP 4 7.273 -5.455 5.985
22 H ARG 5 H ARG 5 8.336 -3.063 6.718
23 HA ARG 5 HA ARG 5 5.973 -1.796 7.753
24 HB2 ARG 5 2HB ARG 5 8.007 -2.638 8.996
25 HB3 ARG 5 1HB ARG 5 8.888 -1.237 8.385
26 HG2 ARG 5 2HG ARG 5 7.927 0.144 9.892
27 HG3 ARG 5 1HG ARG 5 6.318 -0.500 9.564
28 HD2 ARG 5 2HD ARG 5 6.936 -2.521 10.969
29 HD3 ARG 5 1HD ARG 5 8.401 -1.642 11.450
30 HE ARG 5 HE ARG 5 7.049 -0.207 12.753
31 HH11 ARG 5 1HH2 ARG 5 5.197 -1.971 10.430
32 HH12 ARG 5 2HH2 ARG 5 3.673 -1.411 11.029
33 HH21 ARG 5 1HH1 ARG 5 5.065 0.529 13.541
34 HH22 ARG 5 2HH1 ARG 5 3.598 0.003 12.788
35 H ASP 6 H ASP 6 8.941 -0.396 6.298
36 HA ASP 6 HA ASP 6 7.919 2.312 6.280
37 HB2 ASP 6 2HB ASP 6 10.269 0.772 5.410
38 HB3 ASP 6 1HB ASP 6 9.906 2.143 4.362
39 H CYS 7 H CYS 7 7.622 -0.427 4.129
40 HA CYS 7 HA CYS 7 6.935 1.006 1.721
41 HB2 CYS 7 2HB CYS 7 7.675 -1.318 1.742
42 HB3 CYS 7 1HB CYS 7 6.306 -1.778 2.753
43 H SER 8 H SER 8 4.858 -0.754 4.063
44 HA SER 8 HA SER 8 2.355 0.079 3.016
45 HB2 SER 8 2HB SER 8 1.832 -0.253 5.632
46 HB3 SER 8 1HB SER 8 2.201 -1.616 4.579
47 HG SER 8 HG SER 8 3.901 -1.925 5.759
48 H LEU 9 H LEU 9 4.278 1.527 5.679
49 HA LEU 9 HA LEU 9 2.601 3.687 6.327
50 HB2 LEU 9 2HB LEU 9 5.345 2.854 6.657
51 HB3 LEU 9 1HB LEU 9 5.285 4.593 6.363
52 HG LEU 9 HG LEU 9 3.699 3.092 8.468
53 HD11 LEU 9 1HD1 LEU 9 5.685 5.264 9.032
54 HD12 LEU 9 2HD1 LEU 9 6.286 3.644 8.679
55 HD13 LEU 9 3HD1 LEU 9 5.198 3.903 10.042
56 HD21 LEU 9 3HD2 LEU 9 3.673 5.888 8.895
57 HD22 LEU 9 1HD2 LEU 9 2.313 4.871 8.421
58 HD23 LEU 9 2HD2 LEU 9 3.299 5.653 7.187
59 H ASP 10 H ASP 10 5.220 3.630 3.880
60 HA ASP 10 HA ASP 10 4.733 6.271 2.870
61 HB2 ASP 10 2HB ASP 10 6.644 4.383 2.595
62 HB3 ASP 10 1HB ASP 10 5.768 4.119 1.089
63 H CYS 11 H CYS 11 3.588 3.053 1.812
64 HA CYS 11 HA CYS 11 2.210 3.764 -0.531
65 HB2 CYS 11 2HB CYS 11 1.995 1.701 1.608
66 HB3 CYS 11 1HB CYS 11 0.608 1.859 0.533
67 H ILE 12 H ILE 12 0.757 3.532 2.745
68 HA ILE 12 HA ILE 12 -1.747 4.686 2.115
69 HB ILE 12 HB ILE 12 -0.007 4.545 4.580
70 HG12 ILE 12 2HG1 ILE 12 -2.697 3.333 4.490
71 HG13 ILE 12 1HG1 ILE 12 -1.570 2.688 3.298
72 HG21 ILE 12 1HG2 ILE 12 -2.511 5.124 5.542
73 HG22 ILE 12 2HG2 ILE 12 -2.426 6.176 4.129
74 HG23 ILE 12 3HG2 ILE 12 -1.205 6.301 5.395
75 HD11 ILE 12 3HD1 ILE 12 -1.291 1.364 5.280
76 HD12 ILE 12 1HD1 ILE 12 -1.215 2.801 6.302
77 HD13 ILE 12 2HD1 ILE 12 0.107 2.436 5.194
78 H MET 13 H MET 13 1.376 6.184 2.748
79 HA MET 13 HA MET 13 0.414 8.887 3.111
80 HB2 MET 13 2HB MET 13 2.936 7.400 2.786
81 HB3 MET 13 1HB MET 13 2.999 9.045 2.154
82 HG2 MET 13 2HG MET 13 1.629 8.931 4.723
83 HG3 MET 13 1HG MET 13 3.273 8.302 4.830
84 HE1 MET 13 3HE MET 13 5.102 9.274 4.932
85 HE2 MET 13 1HE MET 13 5.525 10.991 4.872
86 HE3 MET 13 2HE MET 13 5.433 10.050 3.384
87 H LYS 14 H LYS 14 1.670 7.090 0.283
88 HA LYS 14 HA LYS 14 1.716 9.142 -1.631
89 HB2 LYS 14 2HB LYS 14 1.015 6.203 -1.726
90 HB3 LYS 14 1HB LYS 14 1.131 7.174 -3.193
91 HG2 LYS 14 2HG LYS 14 3.440 7.768 -2.663
92 HG3 LYS 14 1HG LYS 14 3.338 6.896 -1.133
93 HD2 LYS 14 2HD LYS 14 2.613 4.890 -2.720
94 HD3 LYS 14 1HD LYS 14 3.509 5.821 -3.922
95 HE2 LYS 14 2HE LYS 14 5.233 5.911 -1.785
96 HE3 LYS 14 1HE LYS 14 4.523 4.293 -1.611
97 HZ1 LYS 14 3HZ LYS 14 4.830 4.239 -4.173
98 HZ2 LYS 14 1HZ LYS 14 6.153 3.902 -3.169
99 HZ3 LYS 14 2HZ LYS 14 6.001 5.435 -3.885
100 H GLY 15 H GLY 15 -1.040 7.499 -0.201
101 HA2 GLY 15 2HA GLY 15 -3.111 9.006 -0.280
102 HA3 GLY 15 1HA GLY 15 -2.850 8.988 -2.021
103 H TYR 16 H TYR 16 -1.916 6.012 -0.916
104 HA TYR 16 HA TYR 16 -4.398 4.765 -1.906
105 HB2 TYR 16 2HB TYR 16 -1.735 3.656 -0.958
106 HB3 TYR 16 1HB TYR 16 -2.980 2.741 -1.806
107 HD1 TYR 16 1HD TYR 16 -3.921 4.286 -3.950
108 HD2 TYR 16 2HD TYR 16 0.059 4.197 -2.337
109 HE1 TYR 16 1HE TYR 16 -3.021 5.072 -6.124
110 HE2 TYR 16 2HE TYR 16 0.958 4.983 -4.510
111 HH TYR 16 HH TYR 16 -0.948 5.061 -7.366
112 H ASN 17 H ASN 17 -3.859 2.349 -0.209
113 HA ASN 17 HA ASN 17 -4.859 3.374 2.428
114 HB2 ASN 17 2HB ASN 17 -6.438 2.280 0.553
115 HB3 ASN 17 1HB ASN 17 -5.851 0.792 1.300
116 HD21 ASN 17 1HD2 ASN 17 -7.994 3.504 1.712
117 HD22 ASN 17 2HD2 ASN 17 -8.552 3.090 3.261
118 H THR 18 H THR 18 -3.109 0.864 0.648
119 HA THR 18 HA THR 18 -1.408 0.279 2.921
120 HB THR 18 HB THR 18 -3.455 -0.797 3.700
121 HG1 THR 18 1HG THR 18 -1.655 -2.702 2.618
122 HG21 THR 18 3HG2 THR 18 -4.374 -2.710 2.276
123 HG22 THR 18 1HG2 THR 18 -3.419 -2.045 0.950
124 HG23 THR 18 2HG2 THR 18 -4.697 -1.079 1.686
125 H GLY 19 H GLY 19 0.332 -1.111 2.304
126 HA2 GLY 19 2HA GLY 19 0.240 -2.364 -0.375
127 HA3 GLY 19 1HA GLY 19 1.456 -1.109 -0.129
128 H SER 20 H SER 20 2.935 -3.016 -0.589
129 HA SER 20 HA SER 20 3.986 -4.047 1.933
130 HB2 SER 20 2HB SER 20 2.198 -5.626 0.166
131 HB3 SER 20 1HB SER 20 3.634 -6.465 0.747
132 HG SER 20 HG SER 20 1.572 -6.394 2.083
133 H CYS 21 H CYS 21 5.686 -5.947 1.177
134 HA CYS 21 HA CYS 21 7.495 -4.589 -0.698
135 HB2 CYS 21 2HB CYS 21 8.275 -5.602 1.399
136 HB3 CYS 21 1HB CYS 21 7.659 -7.174 0.887
137 H VAL 22 H VAL 22 7.680 -5.115 -2.843
138 HA VAL 22 HA VAL 22 6.746 -7.807 -3.749
139 HB VAL 22 HB VAL 22 6.061 -5.158 -5.058
140 HG11 VAL 22 1HG1 VAL 22 5.645 -8.015 -5.694
141 HG12 VAL 22 2HG1 VAL 22 5.670 -6.615 -6.766
142 HG13 VAL 22 3HG1 VAL 22 4.209 -7.003 -5.857
143 HG21 VAL 22 3HG2 VAL 22 4.406 -6.930 -3.232
144 HG22 VAL 22 1HG2 VAL 22 3.777 -5.555 -4.139
145 HG23 VAL 22 2HG2 VAL 22 4.972 -5.299 -2.867
146 H ARG 23 H ARG 23 8.411 -8.709 -4.890
147 HA ARG 23 HA ARG 23 10.372 -8.879 -6.202
148 HB2 ARG 23 2HB ARG 23 8.445 -7.049 -7.393
149 HB3 ARG 23 1HB ARG 23 10.092 -6.648 -7.881
150 HG2 ARG 23 2HG ARG 23 10.101 -8.389 -9.302
151 HG3 ARG 23 1HG ARG 23 9.823 -9.492 -7.954
152 HD2 ARG 23 2HD ARG 23 7.548 -9.609 -8.342
153 HD3 ARG 23 1HD ARG 23 7.469 -7.953 -8.977
154 HE ARG 23 HE ARG 23 9.044 -9.226 -10.832
155 HH11 ARG 23 1HH2 ARG 23 5.996 -9.920 -9.360
156 HH12 ARG 23 2HH2 ARG 23 5.383 -10.775 -10.735
157 HH21 ARG 23 1HH1 ARG 23 8.252 -10.339 -12.629
158 HH22 ARG 23 2HH1 ARG 23 6.656 -11.011 -12.584
159 H GLY 24 H GLY 24 10.998 -7.739 -3.800
160 HA2 GLY 24 2HA GLY 24 12.553 -6.339 -2.735
161 HA3 GLY 24 1HA GLY 24 13.363 -6.272 -4.301
162 H SER 25 H SER 25 10.060 -5.164 -3.756
163 HA SER 25 HA SER 25 10.992 -2.329 -3.911
164 HB2 SER 25 2HB SER 25 10.445 -3.402 -6.171
165 HB3 SER 25 1HB SER 25 8.776 -3.492 -5.617
166 HG SER 25 HG SER 25 10.318 -1.111 -5.618
167 H CYS 26 H CYS 26 8.250 -1.397 -4.307
168 HA CYS 26 HA CYS 26 6.784 -2.415 -1.930
169 HB2 CYS 26 2HB CYS 26 8.286 -0.742 -1.031
170 HB3 CYS 26 1HB CYS 26 7.866 0.391 -2.314
171 H GLN 27 H GLN 27 4.816 -2.812 -2.887
172 HA GLN 27 HA GLN 27 3.750 -0.833 -4.859
173 HB2 GLN 27 2HB GLN 27 3.267 -3.741 -4.211
174 HB3 GLN 27 1HB GLN 27 2.115 -2.832 -5.189
175 HG2 GLN 27 2HG GLN 27 4.028 -2.180 -6.696
176 HG3 GLN 27 1HG GLN 27 5.052 -3.290 -5.785
177 HE21 GLN 27 1HE2 GLN 27 1.634 -3.643 -6.880
178 HE22 GLN 27 2HE2 GLN 27 1.907 -5.077 -7.748
179 H CYS 28 H CYS 28 1.480 -0.167 -4.595
180 HA CYS 28 HA CYS 28 0.542 -0.340 -1.749
181 HB2 CYS 28 2HB CYS 28 0.188 1.903 -3.762
182 HB3 CYS 28 1HB CYS 28 -0.244 1.951 -2.053
183 H ARG 29 H ARG 29 -1.790 -0.338 -1.473
184 HA ARG 29 HA ARG 29 -3.422 -0.873 -3.911
185 HB2 ARG 29 2HB ARG 29 -3.307 -2.649 -1.449
186 HB3 ARG 29 1HB ARG 29 -4.245 -2.947 -2.915
187 HG2 ARG 29 2HG ARG 29 -2.033 -2.897 -4.186
188 HG3 ARG 29 1HG ARG 29 -1.234 -2.945 -2.613
189 HD2 ARG 29 2HD ARG 29 -3.299 -4.964 -2.693
190 HD3 ARG 29 1HD ARG 29 -2.210 -5.158 -4.081
191 HE ARG 29 HE ARG 29 -0.762 -4.589 -1.624
192 HH11 ARG 29 1HH2 ARG 29 -2.317 -7.015 -3.531
193 HH12 ARG 29 2HH2 ARG 29 -1.359 -8.310 -2.895
194 HH21 ARG 29 1HH1 ARG 29 0.492 -6.270 -0.791
195 HH22 ARG 29 2HH1 ARG 29 0.228 -7.890 -1.347
196 H ARG 30 H ARG 30 -5.433 0.080 -3.714
197 HA ARG 30 HA ARG 30 -6.057 1.513 -1.209
198 HB2 ARG 30 2HB ARG 30 -6.954 1.460 -4.062
199 HB3 ARG 30 1HB ARG 30 -8.078 2.100 -2.862
200 HG2 ARG 30 2HG ARG 30 -5.488 3.169 -2.299
201 HG3 ARG 30 1HG ARG 30 -5.813 3.402 -4.017
202 HD2 ARG 30 2HD ARG 30 -7.972 4.042 -2.019
203 HD3 ARG 30 1HD ARG 30 -6.671 5.212 -2.314
204 HE ARG 30 HE ARG 30 -7.434 4.438 -4.858
205 HH11 ARG 30 1HH2 ARG 30 -9.044 5.653 -2.053
206 HH12 ARG 30 2HH2 ARG 30 -10.280 6.462 -2.957
207 HH21 ARG 30 1HH1 ARG 30 -9.042 5.488 -6.044
208 HH22 ARG 30 2HH1 ARG 30 -10.280 6.370 -5.213
209 H THR 31 H THR 31 -8.559 1.446 -0.663
210 HA THR 31 HA THR 31 -9.236 -1.406 -0.184
211 HB THR 31 HB THR 31 -9.144 0.407 1.594
212 HG1 THR 31 1HG THR 31 -11.439 -0.194 2.275
213 HG21 THR 31 3HG2 THR 31 -10.282 2.318 1.286
214 HG22 THR 31 1HG2 THR 31 -11.789 1.420 1.119
215 HG23 THR 31 2HG2 THR 31 -10.788 1.731 -0.298
216 H SER 32 H SER 32 -9.619 -0.016 -2.859
217 HA SER 32 HA SER 32 -12.454 0.449 -3.232
218 HB2 SER 32 2HB SER 32 -11.793 0.863 -5.428
219 HB3 SER 32 1HB SER 32 -10.264 1.094 -4.585
220 HG SER 32 HG SER 32 -10.101 -0.316 -6.406
221 H GLY 33 H GLY 33 -14.046 -1.066 -3.560
222 HA2 GLY 33 2HA GLY 33 -13.829 -3.778 -3.071
223 HA3 GLY 33 1HA GLY 33 -15.047 -3.117 -4.161
Start of MODEL 22
1 H1 ALA 1 1HT ALA 1 16.380 -2.165 -1.006
2 H2 ALA 1 2HT ALA 1 17.590 -3.195 -0.403
3 H3 ALA 1 3HT ALA 1 16.833 -2.075 0.628
4 HA ALA 1 HA ALA 1 15.431 -4.344 -0.696
5 HB1 ALA 1 2HB ALA 1 16.998 -5.275 0.816
6 HB2 ALA 1 3HB ALA 1 15.522 -5.146 1.772
7 HB3 ALA 1 1HB ALA 1 16.803 -3.949 1.964
8 H CYS 2 H CYS 2 13.222 -4.167 -0.465
9 HA CYS 2 HA CYS 2 12.081 -1.746 0.699
10 HB2 CYS 2 2HB CYS 2 11.095 -2.650 -1.280
11 HB3 CYS 2 1HB CYS 2 11.023 -4.271 -0.591
12 H ASN 3 H ASN 3 10.408 -1.815 2.412
13 HA ASN 3 HA ASN 3 10.718 -4.132 4.293
14 HB2 ASN 3 2HB ASN 3 11.962 -1.845 4.710
15 HB3 ASN 3 1HB ASN 3 10.366 -1.292 5.220
16 HD21 ASN 3 1HD2 ASN 3 12.063 -4.449 5.670
17 HD22 ASN 3 2HD2 ASN 3 11.891 -4.463 7.359
18 H ASP 4 H ASP 4 8.802 -4.692 5.420
19 HA ASP 4 HA ASP 4 6.290 -3.989 4.180
20 HB2 ASP 4 2HB ASP 4 6.847 -6.159 5.265
21 HB3 ASP 4 1HB ASP 4 6.919 -5.341 6.827
22 H ARG 5 H ARG 5 8.032 -2.838 7.025
23 HA ARG 5 HA ARG 5 5.772 -1.353 8.126
24 HB2 ARG 5 2HB ARG 5 8.521 -2.045 8.762
25 HB3 ARG 5 1HB ARG 5 8.207 -0.344 9.110
26 HG2 ARG 5 2HG ARG 5 6.398 -2.596 10.024
27 HG3 ARG 5 1HG ARG 5 7.682 -1.911 11.022
28 HD2 ARG 5 2HD ARG 5 5.671 -0.060 9.764
29 HD3 ARG 5 1HD ARG 5 5.244 -0.941 11.245
30 HE ARG 5 HE ARG 5 7.791 0.056 11.752
31 HH11 ARG 5 1HH2 ARG 5 4.735 1.345 10.783
32 HH12 ARG 5 2HH2 ARG 5 4.995 2.876 11.549
33 HH21 ARG 5 1HH1 ARG 5 8.138 2.049 12.752
34 HH22 ARG 5 2HH1 ARG 5 6.917 3.274 12.663
35 H ASP 6 H ASP 6 8.698 -0.516 6.247
36 HA ASP 6 HA ASP 6 8.019 2.325 6.125
37 HB2 ASP 6 2HB ASP 6 10.025 0.503 4.765
38 HB3 ASP 6 1HB ASP 6 9.962 2.240 4.467
39 H CYS 7 H CYS 7 7.700 -0.489 3.970
40 HA CYS 7 HA CYS 7 6.856 0.952 1.631
41 HB2 CYS 7 2HB CYS 7 7.686 -1.399 1.738
42 HB3 CYS 7 1HB CYS 7 6.200 -1.861 2.569
43 H SER 8 H SER 8 5.004 -0.664 4.237
44 HA SER 8 HA SER 8 2.400 -0.008 3.220
45 HB2 SER 8 2HB SER 8 1.774 -0.515 5.617
46 HB3 SER 8 1HB SER 8 2.779 -1.750 4.866
47 HG SER 8 HG SER 8 3.267 -0.511 7.081
48 H LEU 9 H LEU 9 4.321 1.520 5.843
49 HA LEU 9 HA LEU 9 2.650 3.683 6.452
50 HB2 LEU 9 2HB LEU 9 5.390 2.876 6.774
51 HB3 LEU 9 1HB LEU 9 5.341 4.596 6.401
52 HG LEU 9 HG LEU 9 3.799 3.200 8.607
53 HD11 LEU 9 1HD1 LEU 9 6.338 4.738 8.454
54 HD12 LEU 9 2HD1 LEU 9 5.854 3.472 9.583
55 HD13 LEU 9 3HD1 LEU 9 5.275 5.123 9.807
56 HD21 LEU 9 3HD2 LEU 9 2.996 5.424 7.201
57 HD22 LEU 9 1HD2 LEU 9 3.917 6.148 8.520
58 HD23 LEU 9 2HD2 LEU 9 2.551 5.087 8.874
59 H ASP 10 H ASP 10 5.361 3.767 4.103
60 HA ASP 10 HA ASP 10 4.782 6.310 2.984
61 HB2 ASP 10 2HB ASP 10 6.634 4.280 2.684
62 HB3 ASP 10 1HB ASP 10 5.796 4.256 1.133
63 H CYS 11 H CYS 11 3.669 3.056 2.009
64 HA CYS 11 HA CYS 11 2.240 3.653 -0.324
65 HB2 CYS 11 2HB CYS 11 1.959 1.736 1.962
66 HB3 CYS 11 1HB CYS 11 0.658 1.805 0.775
67 H ILE 12 H ILE 12 1.089 3.890 3.055
68 HA ILE 12 HA ILE 12 -1.527 4.897 2.427
69 HB ILE 12 HB ILE 12 0.245 5.233 4.872
70 HG12 ILE 12 2HG1 ILE 12 -1.956 3.203 4.509
71 HG13 ILE 12 1HG1 ILE 12 -0.324 2.866 3.932
72 HG21 ILE 12 1HG2 ILE 12 -1.938 5.469 6.063
73 HG22 ILE 12 2HG2 ILE 12 -2.757 5.473 4.500
74 HG23 ILE 12 3HG2 ILE 12 -1.645 6.777 4.917
75 HD11 ILE 12 3HD1 ILE 12 -1.348 3.020 6.701
76 HD12 ILE 12 1HD1 ILE 12 0.202 3.820 6.436
77 HD13 ILE 12 2HD1 ILE 12 0.016 2.108 6.053
78 H MET 13 H MET 13 1.620 6.426 2.801
79 HA MET 13 HA MET 13 0.641 9.151 3.009
80 HB2 MET 13 2HB MET 13 3.188 7.667 2.722
81 HB3 MET 13 1HB MET 13 3.207 9.307 2.074
82 HG2 MET 13 2HG MET 13 3.876 9.306 4.444
83 HG3 MET 13 1HG MET 13 2.351 10.165 4.229
84 HE1 MET 13 3HE MET 13 1.517 9.452 7.236
85 HE2 MET 13 1HE MET 13 0.057 8.987 6.351
86 HE3 MET 13 2HE MET 13 1.109 10.251 5.720
87 H LYS 14 H LYS 14 1.880 7.141 0.328
88 HA LYS 14 HA LYS 14 1.919 9.034 -1.745
89 HB2 LYS 14 2HB LYS 14 1.290 6.091 -1.559
90 HB3 LYS 14 1HB LYS 14 1.286 6.915 -3.118
91 HG2 LYS 14 2HG LYS 14 3.597 7.703 -2.693
92 HG3 LYS 14 1HG LYS 14 3.600 6.826 -1.164
93 HD2 LYS 14 2HD LYS 14 2.911 4.779 -2.674
94 HD3 LYS 14 1HD LYS 14 3.627 5.746 -3.964
95 HE2 LYS 14 2HE LYS 14 5.737 5.910 -2.687
96 HE3 LYS 14 1HE LYS 14 5.022 4.938 -1.386
97 HZ1 LYS 14 3HZ LYS 14 6.267 3.570 -2.987
98 HZ2 LYS 14 1HZ LYS 14 5.231 4.086 -4.227
99 HZ3 LYS 14 2HZ LYS 14 4.619 3.159 -2.940
100 H GLY 15 H GLY 15 -0.847 7.296 -0.358
101 HA2 GLY 15 2HA GLY 15 -2.926 8.856 -0.508
102 HA3 GLY 15 1HA GLY 15 -2.641 8.711 -2.237
103 H TYR 16 H TYR 16 -1.705 5.805 -1.013
104 HA TYR 16 HA TYR 16 -4.219 4.525 -1.867
105 HB2 TYR 16 2HB TYR 16 -1.598 3.355 -0.883
106 HB3 TYR 16 1HB TYR 16 -2.838 2.525 -1.818
107 HD1 TYR 16 1HD TYR 16 -3.438 3.501 -4.140
108 HD2 TYR 16 2HD TYR 16 0.134 4.512 -1.978
109 HE1 TYR 16 1HE TYR 16 -2.390 4.294 -6.242
110 HE2 TYR 16 2HE TYR 16 1.182 5.307 -4.082
111 HH TYR 16 HH TYR 16 0.932 4.923 -6.516
112 H ASN 17 H ASN 17 -3.692 2.189 -0.109
113 HA ASN 17 HA ASN 17 -4.550 3.318 2.535
114 HB2 ASN 17 2HB ASN 17 -6.351 2.384 0.936
115 HB3 ASN 17 1HB ASN 17 -5.647 0.801 1.270
116 HD21 ASN 17 1HD2 ASN 17 -6.183 3.614 3.464
117 HD22 ASN 17 2HD2 ASN 17 -7.127 2.750 4.580
118 H THR 18 H THR 18 -3.071 0.621 0.760
119 HA THR 18 HA THR 18 -1.280 0.059 3.010
120 HB THR 18 HB THR 18 -3.323 -1.044 3.759
121 HG1 THR 18 1HG THR 18 -2.489 -3.342 3.359
122 HG21 THR 18 3HG2 THR 18 -3.500 -1.701 0.911
123 HG22 THR 18 1HG2 THR 18 -4.778 -1.600 2.122
124 HG23 THR 18 2HG2 THR 18 -3.833 -3.081 1.958
125 H GLY 19 H GLY 19 0.387 -1.489 2.390
126 HA2 GLY 19 2HA GLY 19 0.337 -2.710 -0.258
127 HA3 GLY 19 1HA GLY 19 1.425 -1.324 -0.160
128 H SER 20 H SER 20 2.868 -3.378 -0.690
129 HA SER 20 HA SER 20 4.275 -4.031 1.818
130 HB2 SER 20 2HB SER 20 2.705 -5.984 0.145
131 HB3 SER 20 1HB SER 20 4.101 -6.531 1.067
132 HG SER 20 HG SER 20 1.634 -6.054 1.922
133 H CYS 21 H CYS 21 6.114 -5.769 1.058
134 HA CYS 21 HA CYS 21 7.574 -4.398 -1.100
135 HB2 CYS 21 2HB CYS 21 8.197 -6.679 0.799
136 HB3 CYS 21 1HB CYS 21 9.367 -6.002 -0.332
137 H VAL 22 H VAL 22 8.159 -5.375 -3.084
138 HA VAL 22 HA VAL 22 7.142 -8.129 -3.629
139 HB VAL 22 HB VAL 22 6.583 -5.669 -5.319
140 HG11 VAL 22 1HG1 VAL 22 4.789 -7.684 -5.963
141 HG12 VAL 22 2HG1 VAL 22 6.300 -8.557 -5.716
142 HG13 VAL 22 3HG1 VAL 22 6.221 -7.250 -6.896
143 HG21 VAL 22 3HG2 VAL 22 5.288 -5.480 -3.300
144 HG22 VAL 22 1HG2 VAL 22 4.880 -7.195 -3.330
145 HG23 VAL 22 2HG2 VAL 22 4.200 -6.107 -4.540
146 H ARG 23 H ARG 23 8.757 -9.254 -4.628
147 HA ARG 23 HA ARG 23 10.854 -9.638 -5.676
148 HB2 ARG 23 2HB ARG 23 9.043 -7.999 -7.377
149 HB3 ARG 23 1HB ARG 23 10.704 -8.180 -7.942
150 HG2 ARG 23 2HG ARG 23 9.327 -10.639 -6.972
151 HG3 ARG 23 1HG ARG 23 8.807 -9.984 -8.524
152 HD2 ARG 23 2HD ARG 23 10.819 -10.455 -9.550
153 HD3 ARG 23 1HD ARG 23 11.752 -10.197 -8.062
154 HE ARG 23 HE ARG 23 10.114 -12.418 -7.554
155 HH11 ARG 23 1HH2 ARG 23 12.579 -11.482 -9.784
156 HH12 ARG 23 2HH2 ARG 23 13.170 -13.094 -10.005
157 HH21 ARG 23 1HH1 ARG 23 10.875 -14.524 -7.836
158 HH22 ARG 23 2HH1 ARG 23 12.208 -14.815 -8.905
159 H GLY 24 H GLY 24 10.804 -7.343 -3.725
160 HA2 GLY 24 2HA GLY 24 12.631 -5.969 -3.023
161 HA3 GLY 24 1HA GLY 24 13.307 -6.081 -4.648
162 H SER 25 H SER 25 9.979 -5.165 -3.861
163 HA SER 25 HA SER 25 10.592 -2.343 -4.637
164 HB2 SER 25 2HB SER 25 8.322 -4.004 -5.768
165 HB3 SER 25 1HB SER 25 8.832 -2.401 -6.291
166 HG SER 25 HG SER 25 9.612 -4.597 -7.325
167 H CYS 26 H CYS 26 7.960 -1.415 -4.633
168 HA CYS 26 HA CYS 26 6.731 -2.288 -2.067
169 HB2 CYS 26 2HB CYS 26 8.419 -0.590 -1.501
170 HB3 CYS 26 1HB CYS 26 7.729 0.512 -2.694
171 H GLN 27 H GLN 27 4.825 -2.871 -3.201
172 HA GLN 27 HA GLN 27 3.536 -0.826 -4.937
173 HB2 GLN 27 2HB GLN 27 3.662 -3.721 -4.704
174 HB3 GLN 27 1HB GLN 27 1.989 -3.169 -4.778
175 HG2 GLN 27 2HG GLN 27 3.649 -1.724 -6.676
176 HG3 GLN 27 1HG GLN 27 3.743 -3.465 -6.944
177 HE21 GLN 27 1HE2 GLN 27 2.193 -4.102 -8.441
178 HE22 GLN 27 2HE2 GLN 27 0.622 -3.469 -8.551
179 H CYS 28 H CYS 28 1.468 0.019 -4.438
180 HA CYS 28 HA CYS 28 0.446 -0.578 -1.677
181 HB2 CYS 28 2HB CYS 28 0.248 2.058 -3.158
182 HB3 CYS 28 1HB CYS 28 0.009 1.766 -1.436
183 H ARG 29 H ARG 29 -1.873 -0.570 -1.469
184 HA ARG 29 HA ARG 29 -3.409 -0.433 -4.037
185 HB2 ARG 29 2HB ARG 29 -3.803 -2.509 -1.869
186 HB3 ARG 29 1HB ARG 29 -4.451 -2.525 -3.510
187 HG2 ARG 29 2HG ARG 29 -1.966 -2.495 -4.261
188 HG3 ARG 29 1HG ARG 29 -1.614 -2.991 -2.607
189 HD2 ARG 29 2HD ARG 29 -3.805 -4.563 -3.697
190 HD3 ARG 29 1HD ARG 29 -2.355 -4.691 -4.714
191 HE ARG 29 HE ARG 29 -1.790 -4.856 -1.847
192 HH11 ARG 29 1HH2 ARG 29 -2.665 -6.535 -4.738
193 HH12 ARG 29 2HH2 ARG 29 -2.045 -8.058 -4.194
194 HH21 ARG 29 1HH1 ARG 29 -0.983 -6.836 -1.129
195 HH22 ARG 29 2HH1 ARG 29 -1.095 -8.228 -2.153
196 H ARG 30 H ARG 30 -5.593 0.268 -3.776
197 HA ARG 30 HA ARG 30 -6.158 1.574 -1.149
198 HB2 ARG 30 2HB ARG 30 -7.559 1.958 -3.805
199 HB3 ARG 30 1HB ARG 30 -7.506 3.072 -2.438
200 HG2 ARG 30 2HG ARG 30 -5.761 4.064 -3.469
201 HG3 ARG 30 1HG ARG 30 -4.821 2.632 -3.044
202 HD2 ARG 30 2HD ARG 30 -4.705 3.132 -5.492
203 HD3 ARG 30 1HD ARG 30 -5.477 1.566 -5.182
204 HE ARG 30 HE ARG 30 -7.593 3.343 -5.117
205 HH11 ARG 30 1HH2 ARG 30 -5.030 2.638 -7.325
206 HH12 ARG 30 2HH2 ARG 30 -5.946 3.074 -8.727
207 HH21 ARG 30 1HH1 ARG 30 -8.794 3.915 -6.940
208 HH22 ARG 30 2HH1 ARG 30 -8.074 3.797 -8.510
209 H THR 31 H THR 31 -8.378 1.397 -0.304
210 HA THR 31 HA THR 31 -9.661 -1.204 -1.052
211 HB THR 31 HB THR 31 -8.718 -0.913 1.244
212 HG1 THR 31 1HG THR 31 -10.313 -2.264 1.484
213 HG21 THR 31 3HG2 THR 31 -8.979 1.062 2.281
214 HG22 THR 31 1HG2 THR 31 -10.716 0.761 2.374
215 HG23 THR 31 2HG2 THR 31 -10.042 1.619 0.988
216 H SER 32 H SER 32 -10.033 2.021 -1.640
217 HA SER 32 HA SER 32 -13.014 1.749 -1.813
218 HB2 SER 32 2HB SER 32 -11.278 3.893 -0.617
219 HB3 SER 32 1HB SER 32 -12.854 4.321 -1.277
220 HG SER 32 HG SER 32 -12.879 3.737 0.976
221 H GLY 33 H GLY 33 -13.277 1.630 -4.033
222 HA2 GLY 33 2HA GLY 33 -11.542 3.100 -5.864
223 HA3 GLY 33 1HA GLY 33 -12.944 2.130 -6.320
Start of MODEL 23
1 H1 ALA 1 1HT ALA 1 16.033 -0.198 0.813
2 H2 ALA 1 2HT ALA 1 15.928 -1.013 -0.675
3 H3 ALA 1 3HT ALA 1 17.187 -1.372 0.409
4 HA ALA 1 HA ALA 1 15.417 -3.084 0.420
5 HB1 ALA 1 2HB ALA 1 15.357 -1.694 3.059
6 HB2 ALA 1 3HB ALA 1 16.946 -2.042 2.380
7 HB3 ALA 1 1HB ALA 1 15.810 -3.356 2.679
8 H CYS 2 H CYS 2 13.210 -3.485 0.493
9 HA CYS 2 HA CYS 2 11.384 -1.193 0.373
10 HB2 CYS 2 2HB CYS 2 11.003 -2.999 -1.139
11 HB3 CYS 2 1HB CYS 2 11.159 -4.198 0.144
12 H ASN 3 H ASN 3 11.272 -4.199 2.295
13 HA ASN 3 HA ASN 3 10.679 -4.536 4.565
14 HB2 ASN 3 2HB ASN 3 12.045 -2.099 4.381
15 HB3 ASN 3 1HB ASN 3 10.589 -1.716 5.300
16 HD21 ASN 3 1HD2 ASN 3 13.544 -2.129 6.144
17 HD22 ASN 3 2HD2 ASN 3 13.444 -3.236 7.426
18 H ASP 4 H ASP 4 8.552 -5.108 4.818
19 HA ASP 4 HA ASP 4 6.310 -3.795 3.690
20 HB2 ASP 4 2HB ASP 4 6.751 -6.142 4.867
21 HB3 ASP 4 1HB ASP 4 6.106 -5.297 6.275
22 H ARG 5 H ARG 5 8.173 -2.977 6.495
23 HA ARG 5 HA ARG 5 6.084 -1.504 7.900
24 HB2 ARG 5 2HB ARG 5 8.670 -2.467 8.373
25 HB3 ARG 5 1HB ARG 5 8.842 -0.713 8.423
26 HG2 ARG 5 2HG ARG 5 8.268 -1.662 10.651
27 HG3 ARG 5 1HG ARG 5 7.032 -0.549 10.061
28 HD2 ARG 5 2HD ARG 5 6.232 -3.008 9.020
29 HD3 ARG 5 1HD ARG 5 6.800 -3.401 10.654
30 HE ARG 5 HE ARG 5 4.498 -1.717 10.012
31 HH11 ARG 5 1HH2 ARG 5 7.022 -2.450 12.255
32 HH12 ARG 5 2HH2 ARG 5 6.171 -1.807 13.618
33 HH21 ARG 5 1HH1 ARG 5 3.380 -0.879 11.785
34 HH22 ARG 5 2HH1 ARG 5 4.113 -0.919 13.355
35 H ASP 6 H ASP 6 8.989 -0.468 6.059
36 HA ASP 6 HA ASP 6 8.187 2.322 6.013
37 HB2 ASP 6 2HB ASP 6 10.264 0.571 4.721
38 HB3 ASP 6 1HB ASP 6 10.058 2.231 4.159
39 H CYS 7 H CYS 7 7.793 -0.432 3.817
40 HA CYS 7 HA CYS 7 6.922 1.043 1.508
41 HB2 CYS 7 2HB CYS 7 7.690 -1.402 1.782
42 HB3 CYS 7 1HB CYS 7 6.051 -1.734 2.340
43 H SER 8 H SER 8 5.071 -0.627 4.086
44 HA SER 8 HA SER 8 2.468 0.104 3.175
45 HB2 SER 8 2HB SER 8 1.880 -0.420 5.552
46 HB3 SER 8 1HB SER 8 2.944 -1.630 4.843
47 HG SER 8 HG SER 8 3.828 -1.101 6.787
48 H LEU 9 H LEU 9 4.584 1.661 5.618
49 HA LEU 9 HA LEU 9 2.932 3.836 6.314
50 HB2 LEU 9 2HB LEU 9 5.677 2.992 6.527
51 HB3 LEU 9 1HB LEU 9 5.625 4.717 6.167
52 HG LEU 9 HG LEU 9 3.829 3.552 8.279
53 HD11 LEU 9 1HD1 LEU 9 5.494 3.358 9.808
54 HD12 LEU 9 2HD1 LEU 9 6.307 4.813 9.233
55 HD13 LEU 9 3HD1 LEU 9 6.569 3.274 8.413
56 HD21 LEU 9 3HD2 LEU 9 4.429 5.978 9.150
57 HD22 LEU 9 1HD2 LEU 9 3.227 5.766 7.878
58 HD23 LEU 9 2HD2 LEU 9 4.873 6.245 7.463
59 H ASP 10 H ASP 10 5.476 3.771 3.785
60 HA ASP 10 HA ASP 10 4.908 6.356 2.703
61 HB2 ASP 10 2HB ASP 10 6.722 4.287 2.341
62 HB3 ASP 10 1HB ASP 10 5.837 4.305 0.814
63 H CYS 11 H CYS 11 3.569 3.143 2.041
64 HA CYS 11 HA CYS 11 2.097 3.770 -0.326
65 HB2 CYS 11 2HB CYS 11 1.905 1.763 1.916
66 HB3 CYS 11 1HB CYS 11 0.687 1.785 0.643
67 H ILE 12 H ILE 12 1.111 3.803 3.119
68 HA ILE 12 HA ILE 12 -1.565 4.755 2.638
69 HB ILE 12 HB ILE 12 0.279 4.972 5.042
70 HG12 ILE 12 2HG1 ILE 12 -1.879 2.921 4.493
71 HG13 ILE 12 1HG1 ILE 12 -0.189 2.657 4.061
72 HG21 ILE 12 1HG2 ILE 12 -1.885 5.072 6.308
73 HG22 ILE 12 2HG2 ILE 12 -2.732 5.216 4.768
74 HG23 ILE 12 3HG2 ILE 12 -1.614 6.479 5.281
75 HD11 ILE 12 3HD1 ILE 12 0.053 3.513 6.648
76 HD12 ILE 12 1HD1 ILE 12 -0.015 1.818 6.169
77 HD13 ILE 12 2HD1 ILE 12 -1.475 2.638 6.718
78 H MET 13 H MET 13 1.549 6.347 3.015
79 HA MET 13 HA MET 13 0.528 9.021 3.455
80 HB2 MET 13 2HB MET 13 3.068 7.612 2.979
81 HB3 MET 13 1HB MET 13 3.042 9.251 2.328
82 HG2 MET 13 2HG MET 13 3.812 9.467 4.577
83 HG3 MET 13 1HG MET 13 2.128 9.992 4.597
84 HE1 MET 13 3HE MET 13 2.437 8.708 7.922
85 HE2 MET 13 1HE MET 13 0.842 8.894 7.180
86 HE3 MET 13 2HE MET 13 2.149 9.996 6.753
87 H LYS 14 H LYS 14 1.667 7.258 0.561
88 HA LYS 14 HA LYS 14 1.539 9.278 -1.371
89 HB2 LYS 14 2HB LYS 14 0.824 6.336 -1.405
90 HB3 LYS 14 1HB LYS 14 0.908 7.304 -2.875
91 HG2 LYS 14 2HG LYS 14 3.231 7.789 -2.533
92 HG3 LYS 14 1HG LYS 14 3.189 7.134 -0.895
93 HD2 LYS 14 2HD LYS 14 3.377 4.984 -1.616
94 HD3 LYS 14 1HD LYS 14 2.304 5.251 -2.990
95 HE2 LYS 14 2HE LYS 14 4.142 5.275 -4.317
96 HE3 LYS 14 1HE LYS 14 4.631 6.781 -3.515
97 HZ1 LYS 14 3HZ LYS 14 5.849 5.641 -1.923
98 HZ2 LYS 14 1HZ LYS 14 6.193 4.769 -3.337
99 HZ3 LYS 14 2HZ LYS 14 5.064 4.163 -2.221
100 H GLY 15 H GLY 15 -1.121 7.486 0.130
101 HA2 GLY 15 2HA GLY 15 -3.218 8.962 0.258
102 HA3 GLY 15 1HA GLY 15 -3.032 9.074 -1.487
103 H TYR 16 H TYR 16 -2.018 6.035 -0.619
104 HA TYR 16 HA TYR 16 -4.523 4.832 -1.609
105 HB2 TYR 16 2HB TYR 16 -1.850 3.639 -0.802
106 HB3 TYR 16 1HB TYR 16 -3.107 2.836 -1.739
107 HD1 TYR 16 1HD TYR 16 -4.013 5.012 -3.522
108 HD2 TYR 16 2HD TYR 16 -0.049 3.883 -2.314
109 HE1 TYR 16 1HE TYR 16 -3.098 5.997 -5.606
110 HE2 TYR 16 2HE TYR 16 0.867 4.869 -4.397
111 HH TYR 16 HH TYR 16 0.394 6.190 -6.167
112 H ASN 17 H ASN 17 -3.959 2.316 -0.113
113 HA ASN 17 HA ASN 17 -4.934 3.160 2.598
114 HB2 ASN 17 2HB ASN 17 -6.612 2.192 0.946
115 HB3 ASN 17 1HB ASN 17 -5.708 0.679 1.040
116 HD21 ASN 17 1HD2 ASN 17 -5.956 -0.616 2.939
117 HD22 ASN 17 2HD2 ASN 17 -7.015 -0.212 4.200
118 H THR 18 H THR 18 -3.120 0.747 0.719
119 HA THR 18 HA THR 18 -1.279 0.273 2.921
120 HB THR 18 HB THR 18 -3.374 -0.921 3.621
121 HG1 THR 18 1HG THR 18 -2.251 -2.639 4.297
122 HG21 THR 18 3HG2 THR 18 -4.535 -1.955 1.992
123 HG22 THR 18 1HG2 THR 18 -3.288 -3.203 2.004
124 HG23 THR 18 2HG2 THR 18 -3.172 -1.852 0.876
125 H GLY 19 H GLY 19 0.383 -1.354 2.292
126 HA2 GLY 19 2HA GLY 19 0.321 -2.401 -0.446
127 HA3 GLY 19 1HA GLY 19 1.491 -1.105 -0.196
128 H SER 20 H SER 20 2.909 -3.084 -0.825
129 HA SER 20 HA SER 20 4.190 -4.054 1.623
130 HB2 SER 20 2HB SER 20 2.516 -5.818 -0.169
131 HB3 SER 20 1HB SER 20 3.809 -6.488 0.821
132 HG SER 20 HG SER 20 2.768 -5.506 2.634
133 H CYS 21 H CYS 21 5.860 -5.926 0.752
134 HA CYS 21 HA CYS 21 7.405 -4.575 -1.374
135 HB2 CYS 21 2HB CYS 21 7.942 -6.963 0.425
136 HB3 CYS 21 1HB CYS 21 9.136 -6.211 -0.633
137 H VAL 22 H VAL 22 7.971 -5.602 -3.357
138 HA VAL 22 HA VAL 22 6.580 -8.192 -3.945
139 HB VAL 22 HB VAL 22 6.641 -5.614 -5.539
140 HG11 VAL 22 1HG1 VAL 22 4.987 -7.170 -6.953
141 HG12 VAL 22 2HG1 VAL 22 6.030 -8.435 -6.304
142 HG13 VAL 22 3HG1 VAL 22 6.721 -7.133 -7.274
143 HG21 VAL 22 3HG2 VAL 22 4.078 -6.928 -5.050
144 HG22 VAL 22 1HG2 VAL 22 4.558 -5.261 -4.728
145 HG23 VAL 22 2HG2 VAL 22 4.910 -6.524 -3.549
146 H ARG 23 H ARG 23 8.091 -9.644 -4.620
147 HA ARG 23 HA ARG 23 10.167 -10.470 -5.422
148 HB2 ARG 23 2HB ARG 23 9.502 -8.385 -7.523
149 HB3 ARG 23 1HB ARG 23 10.421 -9.870 -7.766
150 HG2 ARG 23 2HG ARG 23 8.511 -11.239 -7.435
151 HG3 ARG 23 1HG ARG 23 7.586 -9.915 -6.728
152 HD2 ARG 23 2HD ARG 23 7.035 -9.030 -8.781
153 HD3 ARG 23 1HD ARG 23 8.587 -9.494 -9.506
154 HE ARG 23 HE ARG 23 6.197 -11.171 -9.382
155 HH11 ARG 23 1HH2 ARG 23 9.647 -11.045 -9.498
156 HH12 ARG 23 2HH2 ARG 23 9.809 -12.620 -10.203
157 HH21 ARG 23 1HH1 ARG 23 6.397 -13.224 -10.300
158 HH22 ARG 23 2HH1 ARG 23 7.972 -13.851 -10.656
159 H GLY 24 H GLY 24 10.296 -7.994 -3.653
160 HA2 GLY 24 2HA GLY 24 12.357 -7.036 -2.817
161 HA3 GLY 24 1HA GLY 24 13.066 -7.237 -4.419
162 H SER 25 H SER 25 9.858 -5.887 -4.046
163 HA SER 25 HA SER 25 10.976 -3.167 -4.653
164 HB2 SER 25 2HB SER 25 8.583 -4.589 -5.865
165 HB3 SER 25 1HB SER 25 9.069 -2.938 -6.236
166 HG SER 25 HG SER 25 11.100 -3.829 -6.916
167 H CYS 26 H CYS 26 8.528 -1.808 -4.686
168 HA CYS 26 HA CYS 26 7.133 -2.465 -2.145
169 HB2 CYS 26 2HB CYS 26 9.029 -1.140 -1.437
170 HB3 CYS 26 1HB CYS 26 8.742 0.041 -2.716
171 H GLN 27 H GLN 27 5.137 -2.630 -3.244
172 HA GLN 27 HA GLN 27 4.256 -0.238 -4.819
173 HB2 GLN 27 2HB GLN 27 3.644 -3.187 -4.843
174 HB3 GLN 27 1HB GLN 27 2.499 -2.046 -5.547
175 HG2 GLN 27 2HG GLN 27 4.954 -1.203 -6.547
176 HG3 GLN 27 1HG GLN 27 5.070 -2.963 -6.586
177 HE21 GLN 27 1HE2 GLN 27 4.696 -3.351 -8.817
178 HE22 GLN 27 2HE2 GLN 27 3.277 -2.885 -9.624
179 H CYS 28 H CYS 28 1.766 0.083 -4.620
180 HA CYS 28 HA CYS 28 0.837 -0.463 -1.824
181 HB2 CYS 28 2HB CYS 28 0.563 2.163 -3.311
182 HB3 CYS 28 1HB CYS 28 0.211 1.857 -1.611
183 H ARG 29 H ARG 29 -1.404 -0.815 -1.659
184 HA ARG 29 HA ARG 29 -2.988 -0.635 -4.201
185 HB2 ARG 29 2HB ARG 29 -3.204 -2.825 -2.122
186 HB3 ARG 29 1HB ARG 29 -3.840 -2.829 -3.766
187 HG2 ARG 29 2HG ARG 29 -1.197 -2.406 -4.261
188 HG3 ARG 29 1HG ARG 29 -1.099 -3.393 -2.802
189 HD2 ARG 29 2HD ARG 29 -3.092 -4.581 -4.449
190 HD3 ARG 29 1HD ARG 29 -1.685 -4.255 -5.481
191 HE ARG 29 HE ARG 29 -0.964 -5.357 -2.874
192 HH11 ARG 29 1HH2 ARG 29 -1.946 -6.012 -6.121
193 HH12 ARG 29 2HH2 ARG 29 -1.249 -7.596 -6.148
194 HH21 ARG 29 1HH1 ARG 29 -0.053 -7.420 -2.899
195 HH22 ARG 29 2HH1 ARG 29 -0.177 -8.393 -4.326
196 H ARG 30 H ARG 30 -5.039 0.236 -3.925
197 HA ARG 30 HA ARG 30 -5.736 1.264 -1.238
198 HB2 ARG 30 2HB ARG 30 -6.196 1.902 -4.040
199 HB3 ARG 30 1HB ARG 30 -7.702 1.939 -3.123
200 HG2 ARG 30 2HG ARG 30 -5.868 3.191 -1.440
201 HG3 ARG 30 1HG ARG 30 -5.449 3.790 -3.045
202 HD2 ARG 30 2HD ARG 30 -7.435 4.927 -3.281
203 HD3 ARG 30 1HD ARG 30 -8.357 3.696 -2.396
204 HE ARG 30 HE ARG 30 -6.540 4.896 -0.570
205 HH11 ARG 30 1HH2 ARG 30 -9.313 5.656 -2.484
206 HH12 ARG 30 2HH2 ARG 30 -9.890 6.873 -1.395
207 HH21 ARG 30 1HH1 ARG 30 -7.284 6.481 0.856
208 HH22 ARG 30 2HH1 ARG 30 -8.744 7.339 0.492
209 H THR 31 H THR 31 -8.538 1.280 -1.481
210 HA THR 31 HA THR 31 -9.151 -1.628 -1.133
211 HB THR 31 HB THR 31 -9.491 -0.274 0.835
212 HG1 THR 31 1HG THR 31 -11.216 -1.745 0.112
213 HG21 THR 31 3HG2 THR 31 -9.710 1.942 0.435
214 HG22 THR 31 1HG2 THR 31 -11.432 1.600 0.266
215 HG23 THR 31 2HG2 THR 31 -10.403 1.669 -1.164
216 H SER 32 H SER 32 -9.120 -0.967 -3.778
217 HA SER 32 HA SER 32 -11.883 -0.194 -4.573
218 HB2 SER 32 2HB SER 32 -9.229 -0.544 -5.980
219 HB3 SER 32 1HB SER 32 -10.726 -0.282 -6.870
220 HG SER 32 HG SER 32 -10.787 1.727 -6.188
221 H GLY 33 H GLY 33 -10.764 -2.933 -3.455
222 HA2 GLY 33 2HA GLY 33 -11.352 -4.752 -5.684
223 HA3 GLY 33 1HA GLY 33 -10.937 -5.230 -4.036
Start of MODEL 24
1 H1 ALA 1 1HT ALA 1 16.429 -4.963 1.958
2 H2 ALA 1 2HT ALA 1 17.451 -3.731 1.387
3 H3 ALA 1 3HT ALA 1 17.642 -5.326 0.829
4 HA ALA 1 HA ALA 1 16.495 -3.805 -0.781
5 HB1 ALA 1 2HB ALA 1 16.343 -6.424 -0.306
6 HB2 ALA 1 3HB ALA 1 15.310 -5.663 -1.516
7 HB3 ALA 1 1HB ALA 1 14.673 -6.018 0.089
8 H CYS 2 H CYS 2 13.521 -4.553 -0.583
9 HA CYS 2 HA CYS 2 12.635 -2.026 0.597
10 HB2 CYS 2 2HB CYS 2 10.542 -2.643 -0.417
11 HB3 CYS 2 1HB CYS 2 11.805 -3.168 -1.526
12 H ASN 3 H ASN 3 10.530 -2.230 2.023
13 HA ASN 3 HA ASN 3 10.595 -4.540 3.883
14 HB2 ASN 3 2HB ASN 3 11.540 -1.757 4.423
15 HB3 ASN 3 1HB ASN 3 10.683 -2.593 5.717
16 HD21 ASN 3 1HD2 ASN 3 11.546 -4.983 6.058
17 HD22 ASN 3 2HD2 ASN 3 13.232 -5.169 5.999
18 H ASP 4 H ASP 4 8.490 -5.023 4.368
19 HA ASP 4 HA ASP 4 6.250 -3.556 3.440
20 HB2 ASP 4 2HB ASP 4 6.389 -5.415 5.832
21 HB3 ASP 4 1HB ASP 4 5.002 -5.141 4.776
22 H ARG 5 H ARG 5 8.271 -2.940 6.163
23 HA ARG 5 HA ARG 5 6.333 -1.657 7.888
24 HB2 ARG 5 2HB ARG 5 9.079 -2.364 7.852
25 HB3 ARG 5 1HB ARG 5 9.016 -0.625 8.138
26 HG2 ARG 5 2HG ARG 5 7.531 -2.751 9.708
27 HG3 ARG 5 1HG ARG 5 8.903 -1.803 10.276
28 HD2 ARG 5 2HD ARG 5 6.974 0.055 9.310
29 HD3 ARG 5 1HD ARG 5 6.121 -1.098 10.358
30 HE ARG 5 HE ARG 5 8.680 -0.256 11.467
31 HH11 ARG 5 1HH2 ARG 5 5.330 0.489 11.077
32 HH12 ARG 5 2HH2 ARG 5 5.247 1.458 12.510
33 HH21 ARG 5 1HH1 ARG 5 8.583 1.005 13.336
34 HH22 ARG 5 2HH1 ARG 5 7.086 1.749 13.788
35 H ASP 6 H ASP 6 9.043 -0.074 6.163
36 HA ASP 6 HA ASP 6 7.749 2.512 6.176
37 HB2 ASP 6 2HB ASP 6 9.699 3.097 4.762
38 HB3 ASP 6 1HB ASP 6 10.194 2.127 6.149
39 H CYS 7 H CYS 7 7.621 -0.248 4.070
40 HA CYS 7 HA CYS 7 6.843 1.065 1.628
41 HB2 CYS 7 2HB CYS 7 7.646 -1.237 1.723
42 HB3 CYS 7 1HB CYS 7 6.314 -1.693 2.787
43 H SER 8 H SER 8 4.892 -0.592 4.143
44 HA SER 8 HA SER 8 2.331 0.103 3.108
45 HB2 SER 8 2HB SER 8 1.627 -0.436 5.438
46 HB3 SER 8 1HB SER 8 2.774 -1.616 4.812
47 HG SER 8 HG SER 8 3.317 -0.892 6.923
48 H LEU 9 H LEU 9 4.354 1.722 5.586
49 HA LEU 9 HA LEU 9 2.612 3.869 6.204
50 HB2 LEU 9 2HB LEU 9 5.425 3.125 6.467
51 HB3 LEU 9 1HB LEU 9 5.223 4.868 6.285
52 HG LEU 9 HG LEU 9 3.405 3.407 8.163
53 HD11 LEU 9 1HD1 LEU 9 6.097 3.000 8.400
54 HD12 LEU 9 2HD1 LEU 9 4.981 3.025 9.765
55 HD13 LEU 9 3HD1 LEU 9 5.895 4.474 9.345
56 HD21 LEU 9 3HD2 LEU 9 3.644 6.013 7.414
57 HD22 LEU 9 1HD2 LEU 9 4.712 5.988 8.817
58 HD23 LEU 9 2HD2 LEU 9 3.023 5.509 8.986
59 H ASP 10 H ASP 10 5.330 3.877 3.857
60 HA ASP 10 HA ASP 10 4.774 6.433 2.728
61 HB2 ASP 10 2HB ASP 10 6.665 4.443 2.509
62 HB3 ASP 10 1HB ASP 10 5.869 4.364 0.936
63 H CYS 11 H CYS 11 3.354 3.271 2.156
64 HA CYS 11 HA CYS 11 2.095 3.921 -0.379
65 HB2 CYS 11 2HB CYS 11 1.995 1.782 1.711
66 HB3 CYS 11 1HB CYS 11 0.665 1.858 0.557
67 H ILE 12 H ILE 12 0.880 3.707 2.987
68 HA ILE 12 HA ILE 12 -1.792 4.561 2.427
69 HB ILE 12 HB ILE 12 -0.056 4.854 4.902
70 HG12 ILE 12 2HG1 ILE 12 -2.097 2.699 4.531
71 HG13 ILE 12 1HG1 ILE 12 -0.560 2.533 3.680
72 HG21 ILE 12 1HG2 ILE 12 -2.643 5.840 4.380
73 HG22 ILE 12 2HG2 ILE 12 -1.862 5.694 5.955
74 HG23 ILE 12 3HG2 ILE 12 -2.880 4.387 5.351
75 HD11 ILE 12 3HD1 ILE 12 -0.982 2.836 6.663
76 HD12 ILE 12 1HD1 ILE 12 0.597 2.971 5.891
77 HD13 ILE 12 2HD1 ILE 12 -0.295 1.453 5.812
78 H MET 13 H MET 13 1.210 6.311 2.671
79 HA MET 13 HA MET 13 -0.035 8.925 3.164
80 HB2 MET 13 2HB MET 13 2.560 7.683 3.178
81 HB3 MET 13 1HB MET 13 2.617 9.135 2.179
82 HG2 MET 13 2HG MET 13 1.529 10.403 4.042
83 HG3 MET 13 1HG MET 13 1.641 8.954 5.041
84 HE1 MET 13 3HE MET 13 4.227 11.601 6.309
85 HE2 MET 13 1HE MET 13 3.330 10.232 6.980
86 HE3 MET 13 2HE MET 13 2.503 11.434 5.990
87 H LYS 14 H LYS 14 1.623 7.348 0.405
88 HA LYS 14 HA LYS 14 1.512 9.351 -1.515
89 HB2 LYS 14 2HB LYS 14 1.119 6.361 -1.591
90 HB3 LYS 14 1HB LYS 14 1.124 7.309 -3.077
91 HG2 LYS 14 2HG LYS 14 3.344 8.197 -2.536
92 HG3 LYS 14 1HG LYS 14 3.341 7.309 -1.011
93 HD2 LYS 14 2HD LYS 14 4.430 5.719 -2.235
94 HD3 LYS 14 1HD LYS 14 2.798 5.291 -2.750
95 HE2 LYS 14 2HE LYS 14 3.020 6.750 -4.728
96 HE3 LYS 14 1HE LYS 14 4.658 7.200 -4.212
97 HZ1 LYS 14 3HZ LYS 14 4.163 5.107 -5.778
98 HZ2 LYS 14 1HZ LYS 14 4.060 4.356 -4.262
99 HZ3 LYS 14 2HZ LYS 14 5.481 5.174 -4.708
100 H GLY 15 H GLY 15 -1.177 7.440 -0.261
101 HA2 GLY 15 2HA GLY 15 -3.333 8.873 -0.486
102 HA3 GLY 15 1HA GLY 15 -2.987 8.746 -2.206
103 H TYR 16 H TYR 16 -1.919 5.902 -0.984
104 HA TYR 16 HA TYR 16 -4.342 4.480 -1.885
105 HB2 TYR 16 2HB TYR 16 -1.665 3.469 -0.876
106 HB3 TYR 16 1HB TYR 16 -2.840 2.568 -1.830
107 HD1 TYR 16 1HD TYR 16 -3.626 3.941 -4.052
108 HD2 TYR 16 2HD TYR 16 0.154 4.319 -2.047
109 HE1 TYR 16 1HE TYR 16 -2.607 4.812 -6.138
110 HE2 TYR 16 2HE TYR 16 1.173 5.190 -4.133
111 HH TYR 16 HH TYR 16 0.547 4.889 -6.747
112 H ASN 17 H ASN 17 -3.940 2.156 -0.222
113 HA ASN 17 HA ASN 17 -4.847 3.215 2.437
114 HB2 ASN 17 2HB ASN 17 -6.699 2.273 1.239
115 HB3 ASN 17 1HB ASN 17 -5.743 0.884 0.726
116 HD21 ASN 17 1HD2 ASN 17 -6.615 -0.891 1.826
117 HD22 ASN 17 2HD2 ASN 17 -6.927 -0.933 3.493
118 H THR 18 H THR 18 -2.864 0.890 0.710
119 HA THR 18 HA THR 18 -1.255 0.379 3.095
120 HB THR 18 HB THR 18 -3.063 -1.086 3.641
121 HG1 THR 18 1HG THR 18 -1.826 -2.757 3.876
122 HG21 THR 18 3HG2 THR 18 -2.954 -1.955 0.740
123 HG22 THR 18 1HG2 THR 18 -4.234 -1.011 1.503
124 HG23 THR 18 2HG2 THR 18 -3.979 -2.693 1.971
125 H GLY 19 H GLY 19 0.277 -1.647 2.454
126 HA2 GLY 19 2HA GLY 19 0.765 -1.980 -0.393
127 HA3 GLY 19 1HA GLY 19 1.944 -0.910 0.365
128 H SER 20 H SER 20 3.226 -2.956 -0.516
129 HA SER 20 HA SER 20 3.981 -4.507 1.854
130 HB2 SER 20 2HB SER 20 3.527 -6.640 0.295
131 HB3 SER 20 1HB SER 20 2.272 -5.982 1.340
132 HG SER 20 HG SER 20 1.201 -5.440 -0.378
133 H CYS 21 H CYS 21 5.711 -6.242 1.057
134 HA CYS 21 HA CYS 21 7.571 -4.777 -0.733
135 HB2 CYS 21 2HB CYS 21 7.682 -6.571 1.550
136 HB3 CYS 21 1HB CYS 21 8.741 -7.136 0.257
137 H VAL 22 H VAL 22 7.795 -5.387 -2.844
138 HA VAL 22 HA VAL 22 7.305 -8.238 -3.587
139 HB VAL 22 HB VAL 22 6.093 -5.795 -4.922
140 HG11 VAL 22 1HG1 VAL 22 5.816 -8.766 -5.467
141 HG12 VAL 22 2HG1 VAL 22 6.565 -7.571 -6.527
142 HG13 VAL 22 3HG1 VAL 22 4.828 -7.514 -6.222
143 HG21 VAL 22 3HG2 VAL 22 4.961 -7.924 -3.091
144 HG22 VAL 22 1HG2 VAL 22 3.940 -6.922 -4.123
145 HG23 VAL 22 2HG2 VAL 22 4.927 -6.175 -2.865
146 H ARG 23 H ARG 23 8.760 -8.940 -5.146
147 HA ARG 23 HA ARG 23 10.701 -8.852 -6.502
148 HB2 ARG 23 2HB ARG 23 9.137 -6.388 -7.344
149 HB3 ARG 23 1HB ARG 23 10.458 -7.094 -8.277
150 HG2 ARG 23 2HG ARG 23 9.249 -9.088 -8.697
151 HG3 ARG 23 1HG ARG 23 8.073 -8.738 -7.429
152 HD2 ARG 23 2HD ARG 23 7.114 -8.287 -9.675
153 HD3 ARG 23 1HD ARG 23 7.263 -6.781 -8.748
154 HE ARG 23 HE ARG 23 8.921 -6.083 -10.276
155 HH11 ARG 23 1HH2 ARG 23 8.466 -9.507 -10.357
156 HH12 ARG 23 2HH2 ARG 23 9.556 -9.748 -11.681
157 HH21 ARG 23 1HH1 ARG 23 10.342 -6.388 -12.003
158 HH22 ARG 23 2HH1 ARG 23 10.614 -7.986 -12.613
159 H GLY 24 H GLY 24 11.115 -7.764 -3.896
160 HA2 GLY 24 2HA GLY 24 12.655 -6.428 -2.735
161 HA3 GLY 24 1HA GLY 24 13.514 -6.277 -4.270
162 H SER 25 H SER 25 10.177 -5.260 -3.925
163 HA SER 25 HA SER 25 11.064 -2.399 -3.887
164 HB2 SER 25 2HB SER 25 10.096 -3.880 -6.082
165 HB3 SER 25 1HB SER 25 8.747 -2.873 -5.567
166 HG SER 25 HG SER 25 9.909 -1.583 -6.879
167 H CYS 26 H CYS 26 8.336 -1.469 -4.277
168 HA CYS 26 HA CYS 26 6.839 -2.605 -1.968
169 HB2 CYS 26 2HB CYS 26 8.229 -0.957 -0.931
170 HB3 CYS 26 1HB CYS 26 7.964 0.191 -2.242
171 H GLN 27 H GLN 27 4.668 -2.599 -2.426
172 HA GLN 27 HA GLN 27 3.707 -0.808 -4.638
173 HB2 GLN 27 2HB GLN 27 3.491 -3.689 -4.053
174 HB3 GLN 27 1HB GLN 27 1.960 -2.936 -4.496
175 HG2 GLN 27 2HG GLN 27 3.380 -1.837 -6.419
176 HG3 GLN 27 1HG GLN 27 4.482 -3.179 -6.107
177 HE21 GLN 27 1HE2 GLN 27 1.358 -2.318 -7.448
178 HE22 GLN 27 2HE2 GLN 27 0.947 -3.872 -7.992
179 H CYS 28 H CYS 28 1.534 0.036 -4.365
180 HA CYS 28 HA CYS 28 0.546 -0.060 -1.533
181 HB2 CYS 28 2HB CYS 28 0.289 2.187 -3.553
182 HB3 CYS 28 1HB CYS 28 -0.065 2.266 -1.826
183 H ARG 29 H ARG 29 -1.725 -0.269 -1.264
184 HA ARG 29 HA ARG 29 -3.329 -0.648 -3.770
185 HB2 ARG 29 2HB ARG 29 -3.372 -2.345 -1.253
186 HB3 ARG 29 1HB ARG 29 -4.293 -2.644 -2.728
187 HG2 ARG 29 2HG ARG 29 -2.147 -2.854 -3.982
188 HG3 ARG 29 1HG ARG 29 -1.272 -2.669 -2.462
189 HD2 ARG 29 2HD ARG 29 -3.355 -4.831 -2.911
190 HD3 ARG 29 1HD ARG 29 -1.617 -5.083 -3.159
191 HE ARG 29 HE ARG 29 -2.051 -3.846 -0.607
192 HH11 ARG 29 1HH2 ARG 29 -2.423 -6.818 -2.330
193 HH12 ARG 29 2HH2 ARG 29 -2.270 -7.805 -0.915
194 HH21 ARG 29 1HH1 ARG 29 -1.848 -5.125 1.242
195 HH22 ARG 29 2HH1 ARG 29 -1.944 -6.849 1.104
196 H ARG 30 H ARG 30 -5.388 0.250 -3.668
197 HA ARG 30 HA ARG 30 -6.063 1.805 -1.228
198 HB2 ARG 30 2HB ARG 30 -6.530 1.908 -4.127
199 HB3 ARG 30 1HB ARG 30 -7.969 2.287 -3.182
200 HG2 ARG 30 2HG ARG 30 -6.071 3.698 -1.816
201 HG3 ARG 30 1HG ARG 30 -5.450 3.805 -3.464
202 HD2 ARG 30 2HD ARG 30 -8.180 4.257 -3.786
203 HD3 ARG 30 1HD ARG 30 -7.780 5.128 -2.291
204 HE ARG 30 HE ARG 30 -6.413 6.577 -3.564
205 HH11 ARG 30 1HH2 ARG 30 -7.153 3.666 -5.272
206 HH12 ARG 30 2HH2 ARG 30 -6.432 4.200 -6.753
207 HH21 ARG 30 1HH1 ARG 30 -5.471 7.282 -5.492
208 HH22 ARG 30 2HH1 ARG 30 -5.482 6.244 -6.878
209 H THR 31 H THR 31 -8.678 1.871 -1.012
210 HA THR 31 HA THR 31 -9.585 -0.989 -0.889
211 HB THR 31 HB THR 31 -10.976 0.631 0.985
212 HG1 THR 31 1HG THR 31 -9.534 1.941 1.754
213 HG21 THR 31 3HG2 THR 31 -8.939 -1.558 1.031
214 HG22 THR 31 1HG2 THR 31 -10.594 -1.553 1.642
215 HG23 THR 31 2HG2 THR 31 -9.319 -0.733 2.544
216 H SER 32 H SER 32 -12.175 -0.858 -0.500
217 HA SER 32 HA SER 32 -13.251 0.939 -2.652
218 HB2 SER 32 2HB SER 32 -13.626 -1.934 -1.903
219 HB3 SER 32 1HB SER 32 -15.002 -1.082 -2.598
220 HG SER 32 HG SER 32 -13.979 -0.931 -4.455
221 H GLY 33 H GLY 33 -13.774 2.581 -1.015
222 HA2 GLY 33 2HA GLY 33 -16.395 2.621 -0.089
223 HA3 GLY 33 1HA GLY 33 -15.471 1.936 1.249
Start of MODEL 25
1 H1 ALA 1 1HT ALA 1 16.433 1.089 0.192
2 H2 ALA 1 2HT ALA 1 15.975 0.329 -1.257
3 H3 ALA 1 3HT ALA 1 17.556 0.150 -0.663
4 HA ALA 1 HA ALA 1 16.355 -1.862 -0.186
5 HB1 ALA 1 2HB ALA 1 17.944 -1.308 1.462
6 HB2 ALA 1 3HB ALA 1 16.473 -1.535 2.408
7 HB3 ALA 1 1HB ALA 1 17.022 0.093 2.007
8 H CYS 2 H CYS 2 14.292 -2.667 -0.135
9 HA CYS 2 HA CYS 2 12.077 -0.866 0.714
10 HB2 CYS 2 2HB CYS 2 11.820 -1.858 -1.459
11 HB3 CYS 2 1HB CYS 2 12.292 -3.448 -0.855
12 H ASN 3 H ASN 3 10.317 -1.883 2.035
13 HA ASN 3 HA ASN 3 10.975 -4.277 3.612
14 HB2 ASN 3 2HB ASN 3 12.221 -2.157 4.496
15 HB3 ASN 3 1HB ASN 3 10.632 -1.661 5.077
16 HD21 ASN 3 1HD2 ASN 3 12.852 -4.504 5.197
17 HD22 ASN 3 2HD2 ASN 3 12.390 -4.981 6.758
18 H ASP 4 H ASP 4 9.072 -5.156 4.495
19 HA ASP 4 HA ASP 4 6.542 -4.392 3.488
20 HB2 ASP 4 2HB ASP 4 7.643 -6.438 4.972
21 HB3 ASP 4 1HB ASP 4 6.565 -5.674 6.142
22 H ARG 5 H ARG 5 8.136 -3.521 6.551
23 HA ARG 5 HA ARG 5 5.907 -2.102 7.692
24 HB2 ARG 5 2HB ARG 5 8.315 -2.983 8.538
25 HB3 ARG 5 1HB ARG 5 8.717 -1.287 8.263
26 HG2 ARG 5 2HG ARG 5 6.171 -1.838 9.703
27 HG3 ARG 5 1HG ARG 5 7.666 -2.160 10.585
28 HD2 ARG 5 2HD ARG 5 7.803 0.379 9.149
29 HD3 ARG 5 1HD ARG 5 6.457 0.341 10.307
30 HE ARG 5 HE ARG 5 9.270 0.312 11.006
31 HH11 ARG 5 1HH2 ARG 5 6.134 -0.891 11.818
32 HH12 ARG 5 2HH2 ARG 5 6.512 -1.111 13.493
33 HH21 ARG 5 1HH1 ARG 5 9.771 0.028 13.187
34 HH22 ARG 5 2HH1 ARG 5 8.568 -0.592 14.267
35 H ASP 6 H ASP 6 8.670 -1.074 5.685
36 HA ASP 6 HA ASP 6 7.978 1.749 5.744
37 HB2 ASP 6 2HB ASP 6 9.888 -0.090 4.384
38 HB3 ASP 6 1HB ASP 6 9.581 1.455 3.592
39 H CYS 7 H CYS 7 7.081 -0.999 3.736
40 HA CYS 7 HA CYS 7 6.108 0.454 1.453
41 HB2 CYS 7 2HB CYS 7 6.470 -2.170 2.228
42 HB3 CYS 7 1HB CYS 7 4.713 -2.031 2.204
43 H SER 8 H SER 8 4.331 -0.951 4.246
44 HA SER 8 HA SER 8 1.783 0.154 3.572
45 HB2 SER 8 2HB SER 8 1.463 -0.204 6.115
46 HB3 SER 8 1HB SER 8 1.917 -1.612 5.159
47 HG SER 8 HG SER 8 3.306 -1.569 6.859
48 H LEU 9 H LEU 9 4.402 1.380 5.673
49 HA LEU 9 HA LEU 9 3.110 3.740 6.595
50 HB2 LEU 9 2HB LEU 9 5.838 2.635 6.306
51 HB3 LEU 9 1HB LEU 9 5.768 4.396 6.396
52 HG LEU 9 HG LEU 9 4.367 2.566 8.360
53 HD11 LEU 9 1HD1 LEU 9 6.929 4.107 8.821
54 HD12 LEU 9 2HD1 LEU 9 6.917 2.410 8.345
55 HD13 LEU 9 3HD1 LEU 9 6.189 2.901 9.874
56 HD21 LEU 9 3HD2 LEU 9 4.291 5.386 7.807
57 HD22 LEU 9 1HD2 LEU 9 5.003 5.135 9.400
58 HD23 LEU 9 2HD2 LEU 9 3.404 4.487 9.038
59 H ASP 10 H ASP 10 5.249 3.263 3.761
60 HA ASP 10 HA ASP 10 4.884 5.971 2.766
61 HB2 ASP 10 2HB ASP 10 6.580 3.808 2.355
62 HB3 ASP 10 1HB ASP 10 5.661 3.886 0.850
63 H CYS 11 H CYS 11 3.652 2.771 1.735
64 HA CYS 11 HA CYS 11 2.064 3.446 -0.439
65 HB2 CYS 11 2HB CYS 11 1.755 1.534 1.872
66 HB3 CYS 11 1HB CYS 11 0.541 1.587 0.596
67 H ILE 12 H ILE 12 1.183 3.743 3.012
68 HA ILE 12 HA ILE 12 -1.459 4.806 2.514
69 HB ILE 12 HB ILE 12 0.433 4.855 4.882
70 HG12 ILE 12 2HG1 ILE 12 -2.072 3.211 4.608
71 HG13 ILE 12 1HG1 ILE 12 -0.579 2.664 3.846
72 HG21 ILE 12 1HG2 ILE 12 -2.469 5.119 5.342
73 HG22 ILE 12 2HG2 ILE 12 -1.725 6.516 4.566
74 HG23 ILE 12 3HG2 ILE 12 -1.126 5.950 6.125
75 HD11 ILE 12 3HD1 ILE 12 0.267 1.995 5.823
76 HD12 ILE 12 1HD1 ILE 12 -1.318 2.304 6.531
77 HD13 ILE 12 2HD1 ILE 12 -0.079 3.559 6.559
78 H MET 13 H MET 13 1.713 6.264 3.147
79 HA MET 13 HA MET 13 0.824 8.984 3.382
80 HB2 MET 13 2HB MET 13 3.321 7.445 3.015
81 HB3 MET 13 1HB MET 13 3.386 9.098 2.403
82 HG2 MET 13 2HG MET 13 2.056 9.080 4.957
83 HG3 MET 13 1HG MET 13 3.607 8.251 5.098
84 HE1 MET 13 3HE MET 13 4.556 10.688 6.780
85 HE2 MET 13 1HE MET 13 5.951 10.688 5.693
86 HE3 MET 13 2HE MET 13 5.099 9.185 6.038
87 H LYS 14 H LYS 14 2.153 7.165 0.594
88 HA LYS 14 HA LYS 14 2.163 9.112 -1.385
89 HB2 LYS 14 2HB LYS 14 1.451 6.185 -1.318
90 HB3 LYS 14 1HB LYS 14 1.419 7.072 -2.842
91 HG2 LYS 14 2HG LYS 14 3.762 7.786 -2.462
92 HG3 LYS 14 1HG LYS 14 3.790 6.852 -0.966
93 HD2 LYS 14 2HD LYS 14 4.560 5.161 -2.270
94 HD3 LYS 14 1HD LYS 14 2.876 4.992 -2.771
95 HE2 LYS 14 2HE LYS 14 3.250 6.433 -4.702
96 HE3 LYS 14 1HE LYS 14 4.909 6.769 -4.169
97 HZ1 LYS 14 3HZ LYS 14 5.324 4.354 -4.219
98 HZ2 LYS 14 1HZ LYS 14 4.957 4.979 -5.752
99 HZ3 LYS 14 2HZ LYS 14 3.780 4.115 -4.885
100 H GLY 15 H GLY 15 -0.651 7.496 0.024
101 HA2 GLY 15 2HA GLY 15 -2.688 9.048 -0.017
102 HA3 GLY 15 1HA GLY 15 -2.400 9.102 -1.752
103 H TYR 16 H TYR 16 -1.569 6.054 -0.718
104 HA TYR 16 HA TYR 16 -4.049 4.912 -1.834
105 HB2 TYR 16 2HB TYR 16 -1.490 3.649 -0.800
106 HB3 TYR 16 1HB TYR 16 -2.710 2.860 -1.795
107 HD1 TYR 16 2HD TYR 16 -3.389 5.046 -3.695
108 HD2 TYR 16 1HD TYR 16 0.415 3.718 -2.205
109 HE1 TYR 16 2HE TYR 16 -2.285 5.914 -5.740
110 HE2 TYR 16 1HE TYR 16 1.519 4.586 -4.249
111 HH TYR 16 HH TYR 16 0.664 5.040 -6.745
112 H ASN 17 H ASN 17 -3.679 2.435 -0.215
113 HA ASN 17 HA ASN 17 -4.688 3.400 2.438
114 HB2 ASN 17 2HB ASN 17 -6.540 2.754 0.961
115 HB3 ASN 17 1HB ASN 17 -5.767 1.199 0.645
116 HD21 ASN 17 1HD2 ASN 17 -5.825 2.777 3.841
117 HD22 ASN 17 2HD2 ASN 17 -6.804 1.608 4.585
118 H THR 18 H THR 18 -3.078 0.850 0.579
119 HA THR 18 HA THR 18 -1.464 0.074 2.876
120 HB THR 18 HB THR 18 -3.664 -0.943 3.408
121 HG1 THR 18 1HG THR 18 -1.515 -2.609 2.665
122 HG21 THR 18 3HG2 THR 18 -3.419 -1.770 0.582
123 HG22 THR 18 1HG2 THR 18 -4.864 -1.478 1.550
124 HG23 THR 18 2HG2 THR 18 -4.015 -3.020 1.674
125 H GLY 19 H GLY 19 0.108 -1.616 2.267
126 HA2 GLY 19 2HA GLY 19 0.143 -2.654 -0.454
127 HA3 GLY 19 1HA GLY 19 1.318 -1.362 -0.206
128 H SER 20 H SER 20 2.842 -3.231 -0.697
129 HA SER 20 HA SER 20 3.955 -4.236 1.811
130 HB2 SER 20 2HB SER 20 3.632 -6.648 0.522
131 HB3 SER 20 1HB SER 20 2.589 -6.059 1.814
132 HG SER 20 HG SER 20 2.008 -6.490 -0.763
133 H CYS 21 H CYS 21 5.997 -5.466 1.382
134 HA CYS 21 HA CYS 21 7.375 -4.397 -0.996
135 HB2 CYS 21 2HB CYS 21 8.214 -4.505 1.434
136 HB3 CYS 21 1HB CYS 21 8.447 -6.233 1.156
137 H VAL 22 H VAL 22 7.378 -5.566 -2.876
138 HA VAL 22 HA VAL 22 7.347 -8.562 -2.669
139 HB VAL 22 HB VAL 22 5.969 -6.701 -4.634
140 HG11 VAL 22 1HG1 VAL 22 5.192 -9.503 -4.706
141 HG12 VAL 22 2HG1 VAL 22 6.905 -9.305 -5.070
142 HG13 VAL 22 3HG1 VAL 22 5.694 -8.452 -6.029
143 HG21 VAL 22 3HG2 VAL 22 5.187 -8.039 -2.138
144 HG22 VAL 22 1HG2 VAL 22 4.096 -8.380 -3.480
145 HG23 VAL 22 2HG2 VAL 22 4.401 -6.712 -2.994
146 H ARG 23 H ARG 23 8.855 -9.612 -3.961
147 HA ARG 23 HA ARG 23 10.839 -9.810 -5.241
148 HB2 ARG 23 2HB ARG 23 8.987 -7.968 -6.760
149 HB3 ARG 23 1HB ARG 23 10.524 -8.491 -7.448
150 HG2 ARG 23 2HG ARG 23 9.888 -10.792 -7.377
151 HG3 ARG 23 1HG ARG 23 8.497 -10.446 -6.351
152 HD2 ARG 23 2HD ARG 23 7.957 -10.826 -8.823
153 HD3 ARG 23 1HD ARG 23 7.361 -9.293 -8.156
154 HE ARG 23 HE ARG 23 8.950 -8.153 -9.487
155 HH11 ARG 23 1HH2 ARG 23 9.676 -11.519 -9.201
156 HH12 ARG 23 2HH2 ARG 23 10.977 -11.466 -10.340
157 HH21 ARG 23 1HH1 ARG 23 10.646 -8.074 -10.974
158 HH22 ARG 23 2HH1 ARG 23 11.526 -9.519 -11.343
159 H GLY 24 H GLY 24 11.144 -7.967 -3.096
160 HA2 GLY 24 2HA GLY 24 12.664 -6.318 -2.403
161 HA3 GLY 24 1HA GLY 24 13.420 -6.463 -3.990
162 H SER 25 H SER 25 10.055 -5.774 -4.035
163 HA SER 25 HA SER 25 10.665 -2.889 -4.608
164 HB2 SER 25 2HB SER 25 9.433 -5.019 -6.139
165 HB3 SER 25 1HB SER 25 8.297 -3.689 -5.926
166 HG SER 25 HG SER 25 10.475 -3.844 -7.497
167 H CYS 26 H CYS 26 8.037 -1.986 -4.795
168 HA CYS 26 HA CYS 26 6.675 -2.780 -2.263
169 HB2 CYS 26 2HB CYS 26 8.376 -0.507 -2.650
170 HB3 CYS 26 1HB CYS 26 6.724 0.076 -2.451
171 H GLN 27 H GLN 27 4.538 -3.003 -2.762
172 HA GLN 27 HA GLN 27 3.402 -1.304 -4.962
173 HB2 GLN 27 2HB GLN 27 3.159 -4.190 -4.180
174 HB3 GLN 27 1HB GLN 27 1.781 -3.413 -4.964
175 HG2 GLN 27 2HG GLN 27 3.810 -2.547 -6.559
176 HG3 GLN 27 1HG GLN 27 4.430 -4.127 -6.077
177 HE21 GLN 27 1HE2 GLN 27 1.311 -2.682 -7.206
178 HE22 GLN 27 2HE2 GLN 27 0.890 -4.004 -8.185
179 H CYS 28 H CYS 28 1.533 -0.167 -4.456
180 HA CYS 28 HA CYS 28 0.355 -0.627 -1.731
181 HB2 CYS 28 2HB CYS 28 0.420 1.958 -3.310
182 HB3 CYS 28 1HB CYS 28 0.085 1.754 -1.590
183 H ARG 29 H ARG 29 -1.980 -0.187 -1.588
184 HA ARG 29 HA ARG 29 -3.422 -0.140 -4.204
185 HB2 ARG 29 2HB ARG 29 -3.613 -2.162 -1.957
186 HB3 ARG 29 1HB ARG 29 -4.855 -2.006 -3.199
187 HG2 ARG 29 2HG ARG 29 -2.689 -2.125 -4.789
188 HG3 ARG 29 1HG ARG 29 -2.077 -3.052 -3.420
189 HD2 ARG 29 2HD ARG 29 -4.779 -3.626 -4.666
190 HD3 ARG 29 1HD ARG 29 -3.289 -4.427 -5.205
191 HE ARG 29 HE ARG 29 -3.372 -4.565 -2.368
192 HH11 ARG 29 1HH2 ARG 29 -5.042 -5.724 -5.160
193 HH12 ARG 29 2HH2 ARG 29 -5.556 -7.192 -4.403
194 HH21 ARG 29 1HH1 ARG 29 -4.037 -6.478 -1.370
195 HH22 ARG 29 2HH1 ARG 29 -4.987 -7.620 -2.260
196 H ARG 30 H ARG 30 -5.478 0.856 -4.066
197 HA ARG 30 HA ARG 30 -6.007 2.311 -1.517
198 HB2 ARG 30 2HB ARG 30 -7.184 2.668 -4.291
199 HB3 ARG 30 1HB ARG 30 -7.264 3.816 -2.954
200 HG2 ARG 30 2HG ARG 30 -5.276 4.690 -3.543
201 HG3 ARG 30 1HG ARG 30 -4.516 3.104 -3.419
202 HD2 ARG 30 2HD ARG 30 -6.169 3.352 -5.828
203 HD3 ARG 30 1HD ARG 30 -4.842 4.529 -5.780
204 HE ARG 30 HE ARG 30 -3.667 2.167 -4.922
205 HH11 ARG 30 1HH2 ARG 30 -5.509 3.186 -7.662
206 HH12 ARG 30 2HH2 ARG 30 -4.751 2.071 -8.747
207 HH21 ARG 30 1HH1 ARG 30 -2.674 0.709 -6.331
208 HH22 ARG 30 2HH1 ARG 30 -3.149 0.670 -7.995
209 H THR 31 H THR 31 -6.770 -0.136 -0.962
210 HA THR 31 HA THR 31 -9.614 -0.502 -1.807
211 HB THR 31 HB THR 31 -8.114 -2.388 -2.149
212 HG1 THR 31 1HG THR 31 -9.379 -3.826 -1.195
213 HG21 THR 31 3HG2 THR 31 -7.117 -1.518 0.465
214 HG22 THR 31 1HG2 THR 31 -6.299 -2.434 -0.801
215 HG23 THR 31 2HG2 THR 31 -7.339 -3.265 0.358
216 H SER 32 H SER 32 -10.566 1.072 -0.370
217 HA SER 32 HA SER 32 -10.125 0.672 2.553
218 HB2 SER 32 2HB SER 32 -11.766 2.788 1.147
219 HB3 SER 32 1HB SER 32 -11.042 2.869 2.750
220 HG SER 32 HG SER 32 -8.994 2.495 1.432
221 H GLY 33 H GLY 33 -12.006 -0.760 0.336
222 HA2 GLY 33 2HA GLY 33 -14.566 -0.544 1.815
223 HA3 GLY 33 1HA GLY 33 -14.336 -1.364 0.269
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