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 |
|
|
602516 |
2n2r   |
25609 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLN 1 1HT GLN 1 10.370 -6.073 -12.027
2 H2 GLN 1 2HT GLN 1 10.001 -7.573 -11.372
3 H3 GLN 1 3HT GLN 1 11.370 -6.732 -10.845
4 HA GLN 1 HA GLN 1 9.578 -6.618 -9.247
5 HB2 GLN 1 2HB GLN 1 11.148 -4.752 -9.311
6 HB3 GLN 1 1HB GLN 1 10.262 -4.014 -10.636
7 HG2 GLN 1 2HG GLN 1 8.319 -3.725 -9.144
8 HG3 GLN 1 1HG GLN 1 9.264 -4.390 -7.819
9 HE21 GLN 1 1HE2 GLN 1 11.721 -3.032 -8.598
10 HE22 GLN 1 2HE2 GLN 1 11.479 -1.368 -8.205
11 H LYS 2 H LYS 2 7.512 -6.737 -8.967
12 HA LYS 2 HA LYS 2 5.703 -5.178 -10.664
13 HB2 LYS 2 2HB LYS 2 5.253 -8.010 -9.694
14 HB3 LYS 2 1HB LYS 2 4.006 -7.018 -10.434
15 HG2 LYS 2 2HG LYS 2 5.347 -6.955 -12.511
16 HG3 LYS 2 1HG LYS 2 6.524 -8.024 -11.753
17 HD2 LYS 2 2HD LYS 2 3.621 -8.656 -12.290
18 HD3 LYS 2 1HD LYS 2 5.002 -9.289 -13.179
19 HE2 LYS 2 2HE LYS 2 5.807 -10.381 -11.118
20 HE3 LYS 2 1HE LYS 2 4.397 -9.762 -10.264
21 HZ1 LYS 2 3HZ LYS 2 4.087 -12.034 -10.946
22 HZ2 LYS 2 1HZ LYS 2 4.327 -11.633 -12.555
23 HZ3 LYS 2 2HZ LYS 2 2.980 -11.050 -11.733
24 H LEU 3 H LEU 3 3.382 -5.527 -9.241
25 HA LEU 3 HA LEU 3 4.251 -4.624 -6.601
26 HB2 LEU 3 2HB LEU 3 1.765 -3.978 -8.166
27 HB3 LEU 3 1HB LEU 3 2.008 -3.521 -6.495
28 HG LEU 3 HG LEU 3 3.679 -2.591 -8.828
29 HD11 LEU 3 1HD1 LEU 3 1.584 -1.156 -7.204
30 HD12 LEU 3 2HD1 LEU 3 1.439 -1.657 -8.890
31 HD13 LEU 3 3HD1 LEU 3 2.611 -0.421 -8.433
32 HD21 LEU 3 3HD2 LEU 3 3.731 -1.795 -5.910
33 HD22 LEU 3 1HD2 LEU 3 4.630 -0.997 -7.200
34 HD23 LEU 3 2HD2 LEU 3 4.995 -2.665 -6.782
35 H CYS 4 H CYS 4 3.759 -5.770 -4.907
36 HA CYS 4 HA CYS 4 1.648 -7.787 -5.140
37 HB2 CYS 4 2HB CYS 4 2.774 -8.856 -3.159
38 HB3 CYS 4 1HB CYS 4 3.777 -8.843 -4.601
39 H GLN 5 H GLN 5 0.081 -7.821 -3.503
40 HA GLN 5 HA GLN 5 -0.195 -5.189 -2.299
41 HB2 GLN 5 2HB GLN 5 -2.581 -5.725 -2.115
42 HB3 GLN 5 1HB GLN 5 -1.991 -5.783 -3.760
43 HG2 GLN 5 2HG GLN 5 -2.038 -8.163 -3.773
44 HG3 GLN 5 1HG GLN 5 -2.369 -8.219 -2.045
45 HE21 GLN 5 1HE2 GLN 5 -3.962 -5.857 -4.099
46 HE22 GLN 5 2HE2 GLN 5 -5.498 -6.624 -4.055
47 H ARG 6 H ARG 6 -0.623 -4.862 -0.167
48 HA ARG 6 HA ARG 6 -0.934 -7.126 1.617
49 HB2 ARG 6 2HB ARG 6 1.570 -6.460 1.364
50 HB3 ARG 6 1HB ARG 6 1.112 -4.994 2.226
51 HG2 ARG 6 2HG ARG 6 0.273 -6.382 4.071
52 HG3 ARG 6 1HG ARG 6 0.858 -7.812 3.214
53 HD2 ARG 6 2HD ARG 6 2.525 -7.297 4.809
54 HD3 ARG 6 1HD ARG 6 3.146 -6.714 3.268
55 HE ARG 6 HE ARG 6 2.021 -4.499 4.210
56 HH11 ARG 6 1HH1 ARG 6 4.116 -6.806 5.912
57 HH12 ARG 6 2HH1 ARG 6 4.705 -5.651 7.008
58 HH21 ARG 6 1HH2 ARG 6 2.768 -3.009 5.616
59 HH22 ARG 6 2HH2 ARG 6 3.896 -3.377 6.864
60 HA PRO 7 HA PRO 7 -3.761 -3.777 2.765
61 HB2 PRO 7 2HB PRO 7 -4.980 -5.649 4.612
62 HB3 PRO 7 1HB PRO 7 -5.658 -4.925 3.158
63 HG2 PRO 7 2HG PRO 7 -5.021 -7.563 3.343
64 HG3 PRO 7 1HG PRO 7 -4.982 -6.659 1.822
65 HD2 PRO 7 2HD PRO 7 -2.733 -7.472 3.607
66 HD3 PRO 7 1HD PRO 7 -2.830 -7.427 1.832
67 H SER 8 H SER 8 -2.212 -5.834 5.248
68 HA SER 8 HA SER 8 -2.860 -3.736 7.168
69 HB2 SER 8 2HB SER 8 -1.845 -6.529 7.684
70 HB3 SER 8 1HB SER 8 -2.314 -5.351 8.905
71 HG SER 8 HG SER 8 -3.982 -6.489 6.910
72 H GLY 9 H GLY 9 -1.624 -2.652 8.293
73 HA2 GLY 9 2HA GLY 9 0.980 -2.839 8.926
74 HA3 GLY 9 1HA GLY 9 0.965 -2.066 7.332
75 H THR 10 H THR 10 -0.090 -0.185 7.060
76 HA THR 10 HA THR 10 -0.469 1.332 9.551
77 HB THR 10 HB THR 10 1.156 2.324 8.026
78 HG1 THR 10 1HG THR 10 -0.109 3.750 9.246
79 HG21 THR 10 3HG2 THR 10 -1.122 2.514 6.047
80 HG22 THR 10 1HG2 THR 10 0.290 1.474 5.904
81 HG23 THR 10 2HG2 THR 10 0.480 3.232 5.829
82 H TRP 11 H TRP 11 -2.106 0.363 6.657
83 HA TRP 11 HA TRP 11 -4.375 2.017 7.071
84 HB2 TRP 11 2HB TRP 11 -4.026 1.393 4.801
85 HB3 TRP 11 1HB TRP 11 -3.895 -0.318 5.208
86 HD1 TRP 11 HD TRP 11 -6.565 2.449 4.798
87 HE1 TRP 11 1HE TRP 11 -8.854 1.351 4.613
88 HE3 TRP 11 3HE TRP 11 -5.157 -2.361 5.643
89 HZ2 TRP 11 2HZ TRP 11 -9.929 -1.293 4.820
90 HZ3 TRP 11 3HZ TRP 11 -6.853 -4.124 5.636
91 HH2 TRP 11 HH TRP 11 -9.188 -3.603 5.241
92 H SER 12 H SER 12 -6.262 1.666 8.022
93 HA SER 12 HA SER 12 -7.334 -0.907 8.565
94 HB2 SER 12 2HB SER 12 -6.688 0.976 10.868
95 HB3 SER 12 1HB SER 12 -7.713 -0.451 11.005
96 HG SER 12 HG SER 12 -5.134 -0.694 9.967
97 H GLY 13 H GLY 13 -9.295 -0.500 7.598
98 HA2 GLY 13 2HA GLY 13 -11.419 0.679 8.458
99 HA3 GLY 13 1HA GLY 13 -10.515 2.128 8.054
100 H VAL 14 H VAL 14 -11.084 2.971 6.141
101 HA VAL 14 HA VAL 14 -11.968 1.164 4.008
102 HB VAL 14 HB VAL 14 -13.402 3.001 3.201
103 HG11 VAL 14 1HG1 VAL 14 -14.403 1.256 4.531
104 HG12 VAL 14 2HG1 VAL 14 -15.177 2.797 4.901
105 HG13 VAL 14 3HG1 VAL 14 -13.987 2.112 6.013
106 HG21 VAL 14 3HG2 VAL 14 -12.715 4.349 5.808
107 HG22 VAL 14 1HG2 VAL 14 -13.959 4.888 4.681
108 HG23 VAL 14 2HG2 VAL 14 -12.262 4.905 4.196
109 H CYS 15 H CYS 15 -11.791 2.344 1.799
110 HA CYS 15 HA CYS 15 -9.163 3.621 1.746
111 HB2 CYS 15 2HB CYS 15 -9.645 1.679 0.194
112 HB3 CYS 15 1HB CYS 15 -10.815 2.712 -0.621
113 H GLY 16 H GLY 16 -9.468 5.699 2.228
114 HA2 GLY 16 2HA GLY 16 -11.777 7.153 1.377
115 HA3 GLY 16 1HA GLY 16 -10.369 7.828 2.183
116 H ASN 17 H ASN 17 -8.387 7.944 0.788
117 HA ASN 17 HA ASN 17 -9.090 8.589 -1.988
118 HB2 ASN 17 2HB ASN 17 -7.228 10.156 -0.179
119 HB3 ASN 17 1HB ASN 17 -7.490 10.467 -1.889
120 HD21 ASN 17 1HD2 ASN 17 -8.782 10.717 1.287
121 HD22 ASN 17 2HD2 ASN 17 -10.075 11.791 0.927
122 H ASN 18 H ASN 18 -7.737 7.811 -3.456
123 HA ASN 18 HA ASN 18 -6.078 5.650 -2.980
124 HB2 ASN 18 2HB ASN 18 -5.816 7.574 -5.305
125 HB3 ASN 18 1HB ASN 18 -5.179 5.950 -5.227
126 HD21 ASN 18 1HD2 ASN 18 -6.216 5.316 -7.032
127 HD22 ASN 18 2HD2 ASN 18 -7.928 5.078 -7.103
128 H ASN 19 H ASN 19 -5.156 8.941 -3.777
129 HA ASN 19 HA ASN 19 -2.377 8.505 -3.654
130 HB2 ASN 19 2HB ASN 19 -3.994 11.042 -3.620
131 HB3 ASN 19 1HB ASN 19 -2.231 11.032 -3.611
132 HD21 ASN 19 1HD2 ASN 19 -4.213 11.985 -5.612
133 HD22 ASN 19 2HD2 ASN 19 -3.767 11.183 -7.072
134 H ALA 20 H ALA 20 -4.670 9.516 -1.279
135 HA ALA 20 HA ALA 20 -2.893 10.507 0.649
136 HB1 ALA 20 1HB ALA 20 -5.310 10.922 0.708
137 HB2 ALA 20 2HB ALA 20 -4.709 10.246 2.220
138 HB3 ALA 20 3HB ALA 20 -5.575 9.218 1.082
139 H CYS 21 H CYS 21 -4.553 7.322 0.568
140 HA CYS 21 HA CYS 21 -2.840 6.512 2.658
141 HB2 CYS 21 2HB CYS 21 -3.941 4.234 2.391
142 HB3 CYS 21 1HB CYS 21 -4.955 5.581 2.882
143 H LYS 22 H LYS 22 -2.660 6.245 -0.748
144 HA LYS 22 HA LYS 22 -0.721 4.288 -1.143
145 HB2 LYS 22 2HB LYS 22 -1.799 5.688 -2.877
146 HB3 LYS 22 1HB LYS 22 -0.862 7.067 -2.340
147 HG2 LYS 22 2HG LYS 22 1.201 5.848 -3.004
148 HG3 LYS 22 1HG LYS 22 0.183 4.557 -3.648
149 HD2 LYS 22 2HD LYS 22 0.179 7.447 -4.551
150 HD3 LYS 22 1HD LYS 22 0.875 6.088 -5.424
151 HE2 LYS 22 2HE LYS 22 -1.323 5.106 -5.720
152 HE3 LYS 22 1HE LYS 22 -2.055 6.360 -4.724
153 HZ1 LYS 22 3HZ LYS 22 -0.640 6.898 -7.267
154 HZ2 LYS 22 1HZ LYS 22 -1.543 7.993 -6.367
155 HZ3 LYS 22 2HZ LYS 22 -2.303 6.707 -7.155
156 H ASN 23 H ASN 23 -0.310 7.756 -0.496
157 HA ASN 23 HA ASN 23 2.431 7.856 -0.126
158 HB2 ASN 23 2HB ASN 23 0.962 9.740 -0.645
159 HB3 ASN 23 1HB ASN 23 0.174 9.560 0.909
160 HD21 ASN 23 1HD2 ASN 23 0.632 11.608 1.454
161 HD22 ASN 23 2HD2 ASN 23 2.213 12.133 1.893
162 H GLN 24 H GLN 24 -0.276 7.457 2.116
163 HA GLN 24 HA GLN 24 1.130 7.507 4.526
164 HB2 GLN 24 2HB GLN 24 -1.340 7.608 4.372
165 HB3 GLN 24 1HB GLN 24 -1.347 5.922 3.874
166 HG2 GLN 24 2HG GLN 24 -0.386 5.277 6.029
167 HG3 GLN 24 1HG GLN 24 -0.412 6.964 6.534
168 HE21 GLN 24 1HE2 GLN 24 -1.726 4.660 7.670
169 HE22 GLN 24 2HE2 GLN 24 -3.420 5.034 7.697
170 H CYS 25 H CYS 25 0.462 4.789 2.308
171 HA CYS 25 HA CYS 25 1.472 2.786 4.025
172 HB2 CYS 25 2HB CYS 25 1.357 2.878 0.993
173 HB3 CYS 25 1HB CYS 25 1.767 1.449 1.946
174 H ILE 26 H ILE 26 2.841 4.520 1.315
175 HA ILE 26 HA ILE 26 5.404 3.475 1.252
176 HB ILE 26 HB ILE 26 4.461 6.253 0.475
177 HG12 ILE 26 2HG1 ILE 26 4.830 3.853 -1.301
178 HG13 ILE 26 1HG1 ILE 26 3.305 4.187 -0.495
179 HG21 ILE 26 1HG2 ILE 26 6.874 4.686 -0.462
180 HG22 ILE 26 2HG2 ILE 26 6.923 6.059 0.638
181 HG23 ILE 26 3HG2 ILE 26 6.387 6.287 -1.032
182 HD11 ILE 26 3HD1 ILE 26 4.691 6.068 -2.389
183 HD12 ILE 26 1HD1 ILE 26 3.121 6.263 -1.597
184 HD13 ILE 26 2HD1 ILE 26 3.346 4.980 -2.793
185 H ARG 27 H ARG 27 4.136 6.138 3.181
186 HA ARG 27 HA ARG 27 6.704 6.819 4.231
187 HB2 ARG 27 2HB ARG 27 3.947 7.606 5.048
188 HB3 ARG 27 1HB ARG 27 5.391 8.176 5.873
189 HG2 ARG 27 2HG ARG 27 6.151 9.200 3.787
190 HG3 ARG 27 1HG ARG 27 4.674 8.642 2.988
191 HD2 ARG 27 2HD ARG 27 3.368 9.833 4.612
192 HD3 ARG 27 1HD ARG 27 4.824 10.465 5.371
193 HE ARG 27 HE ARG 27 4.872 11.079 2.645
194 HH11 ARG 27 1HH1 ARG 27 3.102 12.050 5.550
195 HH12 ARG 27 2HH1 ARG 27 2.763 13.621 5.006
196 HH21 ARG 27 1HH2 ARG 27 4.353 13.236 1.863
197 HH22 ARG 27 2HH2 ARG 27 3.464 14.297 2.850
198 H LEU 28 H LEU 28 4.027 4.779 5.330
199 HA LEU 28 HA LEU 28 5.228 4.788 7.988
200 HB2 LEU 28 2HB LEU 28 2.499 3.988 7.033
201 HB3 LEU 28 1HB LEU 28 3.103 3.351 8.532
202 HG LEU 28 HG LEU 28 1.652 5.234 8.950
203 HD11 LEU 28 1HD1 LEU 28 3.459 4.881 10.498
204 HD12 LEU 28 2HD1 LEU 28 3.078 6.594 10.349
205 HD13 LEU 28 3HD1 LEU 28 4.509 5.942 9.555
206 HD21 LEU 28 3HD2 LEU 28 3.583 6.889 7.320
207 HD22 LEU 28 1HD2 LEU 28 2.236 7.524 8.266
208 HD23 LEU 28 2HD2 LEU 28 1.924 6.484 6.877
209 H GLU 29 H GLU 29 3.921 2.367 5.806
210 HA GLU 29 HA GLU 29 5.583 0.465 7.242
211 HB2 GLU 29 2HB GLU 29 4.284 -1.289 6.046
212 HB3 GLU 29 1HB GLU 29 3.330 -0.265 7.103
213 HG2 GLU 29 2HG GLU 29 2.591 1.006 5.121
214 HG3 GLU 29 1HG GLU 29 3.472 -0.136 4.102
215 H LYS 30 H LYS 30 5.625 2.355 4.661
216 HA LYS 30 HA LYS 30 6.988 2.749 3.031
217 HB2 LYS 30 2HB LYS 30 8.807 0.835 4.482
218 HB3 LYS 30 1HB LYS 30 9.312 1.841 3.122
219 HG2 LYS 30 2HG LYS 30 8.822 3.850 4.329
220 HG3 LYS 30 1HG LYS 30 8.095 2.935 5.645
221 HD2 LYS 30 2HD LYS 30 10.265 1.967 6.176
222 HD3 LYS 30 1HD LYS 30 10.992 2.846 4.828
223 HE2 LYS 30 2HE LYS 30 11.373 3.955 6.986
224 HE3 LYS 30 1HE LYS 30 10.463 4.956 5.857
225 HZ1 LYS 30 3HZ LYS 30 9.245 3.344 8.026
226 HZ2 LYS 30 1HZ LYS 30 8.431 4.448 7.054
227 HZ3 LYS 30 2HZ LYS 30 9.585 4.969 8.168
228 H ALA 31 H ALA 31 5.263 1.810 1.968
229 HA ALA 31 HA ALA 31 5.876 -0.597 0.464
230 HB1 ALA 31 1HB ALA 31 3.460 1.220 0.460
231 HB2 ALA 31 2HB ALA 31 3.598 -0.316 1.320
232 HB3 ALA 31 3HB ALA 31 3.606 -0.288 -0.443
233 H ARG 32 H ARG 32 5.078 -0.160 -1.977
234 HA ARG 32 HA ARG 32 6.753 2.061 -2.873
235 HB2 ARG 32 2HB ARG 32 7.367 -0.216 -3.619
236 HB3 ARG 32 1HB ARG 32 5.801 -0.378 -4.396
237 HG2 ARG 32 2HG ARG 32 7.672 0.144 -5.949
238 HG3 ARG 32 1HG ARG 32 6.358 1.322 -5.992
239 HD2 ARG 32 2HD ARG 32 8.658 2.329 -5.984
240 HD3 ARG 32 1HD ARG 32 7.602 2.876 -4.683
241 HE ARG 32 HE ARG 32 9.645 0.797 -4.332
242 HH11 ARG 32 1HH1 ARG 32 8.153 3.859 -3.278
243 HH12 ARG 32 2HH1 ARG 32 8.976 3.897 -1.791
244 HH21 ARG 32 1HH2 ARG 32 10.807 0.920 -2.249
245 HH22 ARG 32 2HH2 ARG 32 10.460 2.222 -1.188
246 H HIS 33 H HIS 33 3.560 0.758 -2.908
247 HA HIS 33 HA HIS 33 2.510 3.169 -4.062
248 HB2 HIS 33 2HB HIS 33 3.105 1.686 -6.007
249 HB3 HIS 33 1HB HIS 33 2.056 0.445 -5.370
250 HD1 HIS 33 1HD HIS 33 1.934 3.890 -6.926
251 HD2 HIS 33 2HD HIS 33 -0.560 0.675 -6.117
252 HE1 HIS 33 1HE HIS 33 -0.235 4.372 -8.115
253 H GLY 34 H GLY 34 -0.083 2.663 -4.127
254 HA2 GLY 34 2HA GLY 34 -1.156 0.762 -2.353
255 HA3 GLY 34 1HA GLY 34 -0.945 2.296 -1.521
256 H SER 35 H SER 35 -3.397 0.813 -2.632
257 HA SER 35 HA SER 35 -4.719 3.186 -3.565
258 HB2 SER 35 2HB SER 35 -4.280 0.947 -5.562
259 HB3 SER 35 1HB SER 35 -5.490 2.213 -5.760
260 HG SER 35 HG SER 35 -2.966 3.080 -5.167
261 H CYS 36 H CYS 36 -7.019 2.648 -4.312
262 HA CYS 36 HA CYS 36 -8.279 1.044 -2.338
263 HB2 CYS 36 2HB CYS 36 -9.377 2.419 -4.803
264 HB3 CYS 36 1HB CYS 36 -10.354 1.680 -3.554
265 H ASN 37 H ASN 37 -7.901 -1.115 -2.613
266 HA ASN 37 HA ASN 37 -8.443 -2.161 -5.285
267 HB2 ASN 37 2HB ASN 37 -6.327 -2.941 -4.200
268 HB3 ASN 37 1HB ASN 37 -7.301 -3.633 -2.907
269 HD21 ASN 37 1HD2 ASN 37 -6.556 -3.841 -6.301
270 HD22 ASN 37 2HD2 ASN 37 -7.034 -5.474 -6.533
271 H TYR 38 H TYR 38 -10.178 -3.335 -5.693
272 HA TYR 38 HA TYR 38 -12.172 -3.218 -3.648
273 HB2 TYR 38 2HB TYR 38 -12.740 -2.482 -5.924
274 HB3 TYR 38 1HB TYR 38 -12.448 -4.118 -6.510
275 HD1 TYR 38 1HD TYR 38 -14.550 -2.217 -4.087
276 HD2 TYR 38 2HD TYR 38 -14.212 -5.646 -6.577
277 HE1 TYR 38 1HE TYR 38 -16.877 -2.793 -3.590
278 HE2 TYR 38 2HE TYR 38 -16.537 -6.237 -6.094
279 HH TYR 38 HH TYR 38 -18.238 -5.832 -4.436
280 H VAL 39 H VAL 39 -11.577 -4.684 -2.241
281 HA VAL 39 HA VAL 39 -11.887 -7.454 -3.062
282 HB VAL 39 HB VAL 39 -11.243 -8.022 -0.702
283 HG11 VAL 39 1HG1 VAL 39 -8.868 -7.417 -0.874
284 HG12 VAL 39 2HG1 VAL 39 -9.268 -6.255 -2.138
285 HG13 VAL 39 3HG1 VAL 39 -9.520 -7.977 -2.414
286 HG21 VAL 39 3HG2 VAL 39 -10.276 -6.281 0.736
287 HG22 VAL 39 1HG2 VAL 39 -11.987 -5.985 0.415
288 HG23 VAL 39 2HG2 VAL 39 -10.754 -5.054 -0.438
289 H PHE 40 H PHE 40 -13.633 -8.653 -2.187
290 HA PHE 40 HA PHE 40 -15.962 -7.127 -2.032
291 HB2 PHE 40 2HB PHE 40 -15.897 -9.476 -2.828
292 HB3 PHE 40 1HB PHE 40 -15.586 -10.016 -1.183
293 HD1 PHE 40 2HD PHE 40 -18.056 -8.398 -3.383
294 HD2 PHE 40 1HD PHE 40 -17.366 -10.310 0.351
295 HE1 PHE 40 2HE PHE 40 -20.482 -8.494 -2.985
296 HE2 PHE 40 1HE PHE 40 -19.783 -10.411 0.751
297 HZ PHE 40 HZ PHE 40 -21.344 -9.497 -0.924
298 HA PRO 41 HA PRO 41 -17.643 -6.540 -1.378
299 HB2 PRO 41 2HB PRO 41 -19.439 -5.347 0.204
300 HB3 PRO 41 1HB PRO 41 -19.311 -7.103 0.081
301 HG2 PRO 41 2HG PRO 41 -18.671 -5.381 2.356
302 HG3 PRO 41 1HG PRO 41 -18.799 -7.144 2.300
303 HD2 PRO 41 2HD PRO 41 -16.405 -5.432 2.115
304 HD3 PRO 41 1HD PRO 41 -16.525 -7.161 2.508
305 H ALA 42 H ALA 42 -15.285 -4.674 -0.162
306 HA ALA 42 HA ALA 42 -16.269 -2.253 -1.330
307 HB1 ALA 42 1HB ALA 42 -16.174 -0.834 0.651
308 HB2 ALA 42 2HB ALA 42 -15.814 -2.242 1.651
309 HB3 ALA 42 3HB ALA 42 -17.374 -2.111 0.849
310 H HIS 43 H HIS 43 -14.732 -0.673 -1.612
311 HA HIS 43 HA HIS 43 -12.094 -1.467 -2.048
312 HB2 HIS 43 2HB HIS 43 -13.346 1.253 -1.900
313 HB3 HIS 43 1HB HIS 43 -11.631 1.042 -2.198
314 HD1 HIS 43 1HD HIS 43 -14.632 1.596 -3.969
315 HD2 HIS 43 2HD HIS 43 -11.315 -0.811 -4.574
316 HE1 HIS 43 1HE HIS 43 -14.583 1.084 -6.444
317 H LYS 44 H LYS 44 -10.326 -1.462 -0.940
318 HA LYS 44 HA LYS 44 -10.171 -0.069 1.632
319 HB2 LYS 44 2HB LYS 44 -9.288 -2.880 0.970
320 HB3 LYS 44 1HB LYS 44 -8.861 -2.002 2.441
321 HG2 LYS 44 2HG LYS 44 -11.140 -1.900 3.120
322 HG3 LYS 44 1HG LYS 44 -11.673 -2.588 1.588
323 HD2 LYS 44 2HD LYS 44 -10.723 -4.681 2.104
324 HD3 LYS 44 1HD LYS 44 -9.866 -4.046 3.503
325 HE2 LYS 44 2HE LYS 44 -11.859 -5.290 4.175
326 HE3 LYS 44 1HE LYS 44 -12.006 -3.586 4.596
327 HZ1 LYS 44 3HZ LYS 44 -14.038 -4.401 3.656
328 HZ2 LYS 44 1HZ LYS 44 -13.245 -4.934 2.271
329 HZ3 LYS 44 2HZ LYS 44 -13.367 -3.272 2.600
330 H CYS 45 H CYS 45 -7.986 0.576 2.182
331 HA CYS 45 HA CYS 45 -6.389 1.114 -0.141
332 HB2 CYS 45 2HB CYS 45 -5.893 1.683 2.789
333 HB3 CYS 45 1HB CYS 45 -4.847 2.199 1.476
334 H ILE 46 H ILE 46 -5.371 -0.569 -0.887
335 HA ILE 46 HA ILE 46 -4.080 -2.287 1.079
336 HB ILE 46 HB ILE 46 -4.345 -2.883 -1.886
337 HG12 ILE 46 2HG1 ILE 46 -6.640 -2.659 -0.976
338 HG13 ILE 46 1HG1 ILE 46 -6.224 -4.327 -1.385
339 HG21 ILE 46 1HG2 ILE 46 -4.085 -5.204 -1.051
340 HG22 ILE 46 2HG2 ILE 46 -3.830 -4.546 0.565
341 HG23 ILE 46 3HG2 ILE 46 -2.677 -4.174 -0.723
342 HD11 ILE 46 3HD1 ILE 46 -7.501 -4.210 0.671
343 HD12 ILE 46 1HD1 ILE 46 -6.261 -3.170 1.390
344 HD13 ILE 46 2HD1 ILE 46 -5.874 -4.836 0.937
345 H CYS 47 H CYS 47 -1.920 -2.218 1.226
346 HA CYS 47 HA CYS 47 -0.602 -0.176 -0.285
347 HB2 CYS 47 2HB CYS 47 0.392 -1.979 1.932
348 HB3 CYS 47 1HB CYS 47 1.217 -0.553 1.310
349 H TYR 48 H TYR 48 0.986 -0.549 -1.759
350 HA TYR 48 HA TYR 48 1.271 -3.335 -2.567
351 HB2 TYR 48 2HB TYR 48 1.137 -0.825 -4.194
352 HB3 TYR 48 1HB TYR 48 1.822 -2.309 -4.859
353 HD1 TYR 48 1HD TYR 48 -1.241 -0.621 -3.728
354 HD2 TYR 48 2HD TYR 48 0.377 -4.201 -5.356
355 HE1 TYR 48 1HE TYR 48 -3.501 -1.389 -4.289
356 HE2 TYR 48 2HE TYR 48 -1.865 -4.968 -5.925
357 HH TYR 48 HH TYR 48 -4.563 -2.959 -5.857
358 H PHE 49 H PHE 49 3.096 -4.166 -2.476
359 HA PHE 49 HA PHE 49 5.453 -2.507 -1.998
360 HB2 PHE 49 2HB PHE 49 4.743 -5.329 -1.181
361 HB3 PHE 49 1HB PHE 49 6.373 -4.686 -1.034
362 HD1 PHE 49 1HD PHE 49 2.888 -4.407 0.231
363 HD2 PHE 49 2HD PHE 49 6.942 -3.143 0.655
364 HE1 PHE 49 1HE PHE 49 2.364 -3.391 2.398
365 HE2 PHE 49 2HE PHE 49 6.393 -2.147 2.823
366 HZ PHE 49 HZ PHE 49 4.090 -2.281 3.689
367 HA PRO 50 HA PRO 50 7.045 -4.072 -5.777
368 HB2 PRO 50 2HB PRO 50 9.727 -4.041 -5.351
369 HB3 PRO 50 1HB PRO 50 8.779 -2.572 -5.588
370 HG2 PRO 50 2HG PRO 50 9.895 -3.716 -3.088
371 HG3 PRO 50 1HG PRO 50 9.618 -2.026 -3.535
372 HD2 PRO 50 2HD PRO 50 7.995 -3.561 -1.872
373 HD3 PRO 50 1HD PRO 50 7.534 -2.037 -2.642
374 H CYS 51 H CYS 51 6.730 -6.085 -6.300
375 HA CYS 51 HA CYS 51 8.488 -8.146 -5.249
376 HB2 CYS 51 2HB CYS 51 5.477 -8.306 -5.471
377 HB3 CYS 51 1HB CYS 51 6.490 -9.732 -5.314
Start of MODEL 2
1 H1 GLN 1 1HT GLN 1 11.719 -7.011 -9.668
2 H2 GLN 1 2HT GLN 1 10.602 -7.668 -10.773
3 H3 GLN 1 3HT GLN 1 10.393 -7.873 -9.106
4 HA GLN 1 HA GLN 1 9.919 -5.726 -8.694
5 HB2 GLN 1 2HB GLN 1 11.417 -4.634 -10.337
6 HB3 GLN 1 1HB GLN 1 10.383 -5.190 -11.647
7 HG2 GLN 1 2HG GLN 1 9.926 -2.861 -11.188
8 HG3 GLN 1 1HG GLN 1 8.537 -3.848 -10.759
9 HE21 GLN 1 1HE2 GLN 1 11.474 -3.445 -8.816
10 HE22 GLN 1 2HE2 GLN 1 10.698 -2.639 -7.513
11 H LYS 2 H LYS 2 8.160 -6.863 -8.183
12 HA LYS 2 HA LYS 2 5.956 -6.741 -10.115
13 HB2 LYS 2 2HB LYS 2 6.690 -9.067 -9.779
14 HB3 LYS 2 1HB LYS 2 6.584 -8.859 -8.043
15 HG2 LYS 2 2HG LYS 2 4.156 -8.548 -8.250
16 HG3 LYS 2 1HG LYS 2 4.296 -8.810 -9.991
17 HD2 LYS 2 2HD LYS 2 5.231 -11.029 -9.580
18 HD3 LYS 2 1HD LYS 2 5.090 -10.763 -7.845
19 HE2 LYS 2 2HE LYS 2 2.668 -10.581 -8.055
20 HE3 LYS 2 1HE LYS 2 2.798 -10.798 -9.800
21 HZ1 LYS 2 3HZ LYS 2 3.703 -12.992 -9.434
22 HZ2 LYS 2 1HZ LYS 2 2.208 -12.869 -8.689
23 HZ3 LYS 2 2HZ LYS 2 3.620 -12.820 -7.772
24 H LEU 3 H LEU 3 4.068 -5.908 -9.152
25 HA LEU 3 HA LEU 3 4.566 -4.689 -6.579
26 HB2 LEU 3 2HB LEU 3 2.289 -4.371 -8.484
27 HB3 LEU 3 1HB LEU 3 2.425 -3.503 -6.976
28 HG LEU 3 HG LEU 3 4.293 -3.232 -9.340
29 HD11 LEU 3 1HD1 LEU 3 2.296 -1.325 -8.153
30 HD12 LEU 3 2HD1 LEU 3 2.139 -2.176 -9.691
31 HD13 LEU 3 3HD1 LEU 3 3.406 -0.966 -9.474
32 HD21 LEU 3 3HD2 LEU 3 5.539 -2.959 -7.267
33 HD22 LEU 3 1HD2 LEU 3 4.319 -1.833 -6.662
34 HD23 LEU 3 2HD2 LEU 3 5.312 -1.399 -8.050
35 H CYS 4 H CYS 4 4.370 -6.040 -5.105
36 HA CYS 4 HA CYS 4 2.227 -7.980 -5.014
37 HB2 CYS 4 2HB CYS 4 4.436 -7.396 -3.040
38 HB3 CYS 4 1HB CYS 4 3.325 -8.761 -2.957
39 H GLN 5 H GLN 5 0.345 -7.357 -4.383
40 HA GLN 5 HA GLN 5 -0.117 -5.030 -2.827
41 HB2 GLN 5 2HB GLN 5 -2.489 -5.689 -3.013
42 HB3 GLN 5 1HB GLN 5 -1.671 -5.638 -4.559
43 HG2 GLN 5 2HG GLN 5 -1.436 -8.105 -4.473
44 HG3 GLN 5 1HG GLN 5 -2.362 -8.100 -2.978
45 HE21 GLN 5 1HE2 GLN 5 -4.168 -5.974 -3.888
46 HE22 GLN 5 2HE2 GLN 5 -5.208 -6.724 -5.040
47 H ARG 6 H ARG 6 -0.578 -4.839 -0.726
48 HA ARG 6 HA ARG 6 -1.044 -7.182 0.905
49 HB2 ARG 6 2HB ARG 6 1.449 -6.640 0.844
50 HB3 ARG 6 1HB ARG 6 1.039 -5.133 1.655
51 HG2 ARG 6 2HG ARG 6 0.070 -6.367 3.490
52 HG3 ARG 6 1HG ARG 6 0.464 -7.888 2.681
53 HD2 ARG 6 2HD ARG 6 2.170 -7.573 4.264
54 HD3 ARG 6 1HD ARG 6 2.860 -7.086 2.718
55 HE ARG 6 HE ARG 6 1.809 -4.805 3.902
56 HH11 ARG 6 1HH1 ARG 6 4.473 -7.077 4.361
57 HH12 ARG 6 2HH1 ARG 6 5.377 -6.022 5.353
58 HH21 ARG 6 1HH2 ARG 6 2.981 -3.391 5.188
59 HH22 ARG 6 2HH2 ARG 6 4.493 -3.839 5.876
60 HA PRO 7 HA PRO 7 -3.988 -3.980 2.000
61 HB2 PRO 7 2HB PRO 7 -5.050 -5.913 3.920
62 HB3 PRO 7 1HB PRO 7 -5.825 -5.189 2.512
63 HG2 PRO 7 2HG PRO 7 -5.070 -7.783 2.570
64 HG3 PRO 7 1HG PRO 7 -5.051 -6.822 1.084
65 HD2 PRO 7 2HD PRO 7 -2.786 -7.611 2.865
66 HD3 PRO 7 1HD PRO 7 -2.895 -7.522 1.091
67 H SER 8 H SER 8 -3.379 -5.897 4.952
68 HA SER 8 HA SER 8 -3.515 -3.380 6.388
69 HB2 SER 8 2HB SER 8 -3.540 -6.185 7.466
70 HB3 SER 8 1HB SER 8 -3.953 -4.706 8.333
71 HG SER 8 HG SER 8 -5.695 -4.426 7.014
72 H GLY 9 H GLY 9 -1.611 -2.450 6.124
73 HA2 GLY 9 2HA GLY 9 0.477 -3.626 7.816
74 HA3 GLY 9 1HA GLY 9 0.793 -2.478 6.504
75 H THR 10 H THR 10 -0.158 -0.428 6.657
76 HA THR 10 HA THR 10 -0.611 0.473 9.425
77 HB THR 10 HB THR 10 1.219 1.674 8.348
78 HG1 THR 10 1HG THR 10 -0.251 2.819 9.734
79 HG21 THR 10 3HG2 THR 10 0.837 3.108 6.361
80 HG22 THR 10 1HG2 THR 10 -0.814 2.481 6.257
81 HG23 THR 10 2HG2 THR 10 0.554 1.399 6.017
82 H TRP 11 H TRP 11 -2.063 0.204 6.317
83 HA TRP 11 HA TRP 11 -4.206 1.972 6.644
84 HB2 TRP 11 2HB TRP 11 -3.963 1.297 4.412
85 HB3 TRP 11 1HB TRP 11 -3.772 -0.404 4.840
86 HD1 TRP 11 HD TRP 11 -6.572 2.264 4.490
87 HE1 TRP 11 1HE TRP 11 -8.837 0.988 4.297
88 HE3 TRP 11 3HE TRP 11 -4.918 -2.495 5.105
89 HZ2 TRP 11 2HZ TRP 11 -9.740 -1.637 4.382
90 HZ3 TRP 11 3HZ TRP 11 -6.530 -4.348 5.027
91 HH2 TRP 11 HH TRP 11 -8.885 -3.932 4.671
92 H SER 12 H SER 12 -6.146 1.874 7.588
93 HA SER 12 HA SER 12 -7.361 -0.605 8.273
94 HB2 SER 12 2HB SER 12 -5.848 -0.217 10.233
95 HB3 SER 12 1HB SER 12 -6.664 1.317 10.523
96 HG SER 12 HG SER 12 -7.495 -1.284 10.989
97 H GLY 13 H GLY 13 -9.250 -0.178 7.299
98 HA2 GLY 13 2HA GLY 13 -11.380 0.891 8.127
99 HA3 GLY 13 1HA GLY 13 -10.524 2.396 7.831
100 H VAL 14 H VAL 14 -12.233 2.922 6.395
101 HA VAL 14 HA VAL 14 -12.499 1.418 3.935
102 HB VAL 14 HB VAL 14 -13.607 4.163 4.662
103 HG11 VAL 14 1HG1 VAL 14 -14.472 2.231 2.512
104 HG12 VAL 14 2HG1 VAL 14 -13.624 3.758 2.269
105 HG13 VAL 14 3HG1 VAL 14 -15.271 3.756 2.904
106 HG21 VAL 14 3HG2 VAL 14 -14.407 2.505 6.260
107 HG22 VAL 14 1HG2 VAL 14 -14.941 1.469 4.937
108 HG23 VAL 14 2HG2 VAL 14 -15.720 3.028 5.204
109 H CYS 15 H CYS 15 -11.753 2.266 1.878
110 HA CYS 15 HA CYS 15 -9.407 3.933 2.168
111 HB2 CYS 15 2HB CYS 15 -9.476 1.935 0.625
112 HB3 CYS 15 1HB CYS 15 -10.610 2.831 -0.379
113 H GLY 16 H GLY 16 -9.461 6.065 1.937
114 HA2 GLY 16 2HA GLY 16 -11.912 7.251 0.889
115 HA3 GLY 16 1HA GLY 16 -10.695 8.068 1.867
116 H ASN 17 H ASN 17 -8.451 7.961 0.754
117 HA ASN 17 HA ASN 17 -8.809 8.856 -2.034
118 HB2 ASN 17 2HB ASN 17 -8.405 10.719 -0.359
119 HB3 ASN 17 1HB ASN 17 -6.884 9.953 0.026
120 HD21 ASN 17 1HD2 ASN 17 -7.237 12.577 -0.884
121 HD22 ASN 17 2HD2 ASN 17 -6.439 12.743 -2.409
122 H ASN 18 H ASN 18 -7.595 7.661 -3.381
123 HA ASN 18 HA ASN 18 -5.888 5.577 -2.672
124 HB2 ASN 18 2HB ASN 18 -5.793 7.240 -5.207
125 HB3 ASN 18 1HB ASN 18 -4.921 5.741 -4.960
126 HD21 ASN 18 1HD2 ASN 18 -7.995 7.191 -5.559
127 HD22 ASN 18 2HD2 ASN 18 -8.811 5.728 -5.952
128 H ASN 19 H ASN 19 -5.119 8.892 -3.534
129 HA ASN 19 HA ASN 19 -2.316 8.650 -3.415
130 HB2 ASN 19 2HB ASN 19 -4.102 11.064 -3.167
131 HB3 ASN 19 1HB ASN 19 -2.350 11.176 -3.114
132 HD21 ASN 19 1HD2 ASN 19 -1.182 10.863 -4.974
133 HD22 ASN 19 2HD2 ASN 19 -1.905 10.816 -6.535
134 H ALA 20 H ALA 20 -4.702 9.483 -0.985
135 HA ALA 20 HA ALA 20 -2.782 10.321 0.926
136 HB1 ALA 20 1HB ALA 20 -4.578 10.403 2.502
137 HB2 ALA 20 2HB ALA 20 -5.588 9.399 1.474
138 HB3 ALA 20 3HB ALA 20 -5.160 11.039 0.962
139 H CYS 21 H CYS 21 -4.562 7.249 0.468
140 HA CYS 21 HA CYS 21 -3.288 6.164 2.766
141 HB2 CYS 21 2HB CYS 21 -4.339 4.057 2.192
142 HB3 CYS 21 1HB CYS 21 -5.504 5.361 2.028
143 H LYS 22 H LYS 22 -2.665 6.091 -0.701
144 HA LYS 22 HA LYS 22 -0.615 4.244 -0.853
145 HB2 LYS 22 2HB LYS 22 -1.557 5.385 -2.816
146 HB3 LYS 22 1HB LYS 22 -0.859 6.903 -2.274
147 HG2 LYS 22 2HG LYS 22 1.375 6.038 -2.623
148 HG3 LYS 22 1HG LYS 22 0.698 4.460 -3.032
149 HD2 LYS 22 2HD LYS 22 1.364 5.656 -5.021
150 HD3 LYS 22 1HD LYS 22 -0.379 5.416 -4.992
151 HE2 LYS 22 2HE LYS 22 -0.687 7.718 -4.268
152 HE3 LYS 22 1HE LYS 22 1.063 7.951 -4.224
153 HZ1 LYS 22 3HZ LYS 22 1.100 7.486 -6.627
154 HZ2 LYS 22 1HZ LYS 22 0.141 8.828 -6.277
155 HZ3 LYS 22 2HZ LYS 22 -0.569 7.346 -6.631
156 H ASN 23 H ASN 23 -0.378 7.756 -0.239
157 HA ASN 23 HA ASN 23 2.324 7.935 0.220
158 HB2 ASN 23 2HB ASN 23 0.776 9.808 -0.125
159 HB3 ASN 23 1HB ASN 23 0.025 9.465 1.426
160 HD21 ASN 23 1HD2 ASN 23 0.477 11.346 2.334
161 HD22 ASN 23 2HD2 ASN 23 2.082 11.857 2.710
162 H GLN 24 H GLN 24 -0.396 7.373 2.424
163 HA GLN 24 HA GLN 24 0.953 7.272 4.842
164 HB2 GLN 24 2HB GLN 24 -1.484 7.339 4.643
165 HB3 GLN 24 1HB GLN 24 -1.477 5.714 3.977
166 HG2 GLN 24 2HG GLN 24 -0.517 4.896 6.103
167 HG3 GLN 24 1HG GLN 24 -0.682 6.522 6.760
168 HE21 GLN 24 1HE2 GLN 24 -1.886 4.047 7.608
169 HE22 GLN 24 2HE2 GLN 24 -3.595 4.299 7.558
170 H CYS 25 H CYS 25 0.409 4.656 2.462
171 HA CYS 25 HA CYS 25 1.426 2.567 4.072
172 HB2 CYS 25 2HB CYS 25 1.443 2.838 1.042
173 HB3 CYS 25 1HB CYS 25 1.772 1.348 1.924
174 H ILE 26 H ILE 26 2.836 4.604 1.607
175 HA ILE 26 HA ILE 26 5.452 3.617 1.592
176 HB ILE 26 HB ILE 26 4.450 6.407 0.940
177 HG12 ILE 26 2HG1 ILE 26 4.963 4.138 -0.970
178 HG13 ILE 26 1HG1 ILE 26 3.392 4.386 -0.220
179 HG21 ILE 26 1HG2 ILE 26 6.888 6.330 1.186
180 HG22 ILE 26 2HG2 ILE 26 6.436 6.526 -0.510
181 HG23 ILE 26 3HG2 ILE 26 6.959 4.952 0.087
182 HD11 ILE 26 3HD1 ILE 26 3.179 6.494 -1.205
183 HD12 ILE 26 1HD1 ILE 26 3.536 5.322 -2.463
184 HD13 ILE 26 2HD1 ILE 26 4.810 6.436 -1.909
185 H ARG 27 H ARG 27 3.907 6.048 3.598
186 HA ARG 27 HA ARG 27 6.326 6.964 4.798
187 HB2 ARG 27 2HB ARG 27 3.485 7.281 5.754
188 HB3 ARG 27 1HB ARG 27 4.870 8.140 6.401
189 HG2 ARG 27 2HG ARG 27 3.887 8.374 3.561
190 HG3 ARG 27 1HG ARG 27 3.399 9.447 4.858
191 HD2 ARG 27 2HD ARG 27 5.112 10.489 3.518
192 HD3 ARG 27 1HD ARG 27 5.741 10.147 5.122
193 HE ARG 27 HE ARG 27 7.158 8.569 4.233
194 HH11 ARG 27 1HH1 ARG 27 5.067 9.778 1.611
195 HH12 ARG 27 2HH1 ARG 27 6.205 9.443 0.387
196 HH21 ARG 27 1HH2 ARG 27 8.682 8.110 2.520
197 HH22 ARG 27 2HH2 ARG 27 8.289 8.481 0.906
198 H LEU 28 H LEU 28 4.125 4.314 5.550
199 HA LEU 28 HA LEU 28 5.458 4.128 8.170
200 HB2 LEU 28 2HB LEU 28 2.727 3.208 7.320
201 HB3 LEU 28 1HB LEU 28 3.503 2.544 8.726
202 HG LEU 28 HG LEU 28 1.913 4.199 9.370
203 HD11 LEU 28 1HD1 LEU 28 3.879 4.023 10.755
204 HD12 LEU 28 2HD1 LEU 28 3.285 5.681 10.735
205 HD13 LEU 28 3HD1 LEU 28 4.706 5.246 9.788
206 HD21 LEU 28 3HD2 LEU 28 1.822 5.586 7.387
207 HD22 LEU 28 1HD2 LEU 28 3.457 6.171 7.697
208 HD23 LEU 28 2HD2 LEU 28 2.152 6.579 8.809
209 H GLU 29 H GLU 29 4.140 2.024 5.682
210 HA GLU 29 HA GLU 29 5.904 -0.029 6.712
211 HB2 GLU 29 2HB GLU 29 4.492 -1.611 5.405
212 HB3 GLU 29 1HB GLU 29 3.663 -0.749 6.685
213 HG2 GLU 29 2HG GLU 29 2.788 0.811 4.957
214 HG3 GLU 29 1HG GLU 29 3.458 -0.254 3.724
215 H LYS 30 H LYS 30 5.818 2.218 4.397
216 HA LYS 30 HA LYS 30 7.118 2.779 2.687
217 HB2 LYS 30 2HB LYS 30 8.911 0.555 3.661
218 HB3 LYS 30 1HB LYS 30 9.353 1.707 2.411
219 HG2 LYS 30 2HG LYS 30 9.133 3.535 4.023
220 HG3 LYS 30 1HG LYS 30 8.695 2.370 5.275
221 HD2 LYS 30 2HD LYS 30 10.856 1.264 4.992
222 HD3 LYS 30 1HD LYS 30 11.298 2.438 3.753
223 HE2 LYS 30 2HE LYS 30 11.137 4.237 5.386
224 HE3 LYS 30 1HE LYS 30 10.657 3.085 6.631
225 HZ1 LYS 30 3HZ LYS 30 12.845 1.992 6.317
226 HZ2 LYS 30 1HZ LYS 30 12.991 3.598 6.813
227 HZ3 LYS 30 2HZ LYS 30 13.261 3.211 5.223
228 H ALA 31 H ALA 31 5.172 1.845 1.686
229 HA ALA 31 HA ALA 31 5.732 -0.400 -0.062
230 HB1 ALA 31 1HB ALA 31 3.309 1.394 0.164
231 HB2 ALA 31 2HB ALA 31 3.498 -0.189 0.920
232 HB3 ALA 31 3HB ALA 31 3.420 -0.054 -0.839
233 H ARG 32 H ARG 32 4.867 0.167 -2.452
234 HA ARG 32 HA ARG 32 6.312 2.600 -3.250
235 HB2 ARG 32 2HB ARG 32 5.650 0.107 -4.808
236 HB3 ARG 32 1HB ARG 32 6.330 1.559 -5.516
237 HG2 ARG 32 2HG ARG 32 7.647 -0.037 -3.341
238 HG3 ARG 32 1HG ARG 32 7.984 -0.230 -5.061
239 HD2 ARG 32 2HD ARG 32 9.690 1.158 -4.117
240 HD3 ARG 32 1HD ARG 32 8.653 2.174 -5.108
241 HE ARG 32 HE ARG 32 7.858 2.168 -2.367
242 HH11 ARG 32 1HH1 ARG 32 10.153 3.582 -4.623
243 HH12 ARG 32 2HH1 ARG 32 10.417 4.992 -3.709
244 HH21 ARG 32 1HH2 ARG 32 8.175 4.063 -1.115
245 HH22 ARG 32 2HH2 ARG 32 9.241 5.286 -1.640
246 H HIS 33 H HIS 33 3.264 1.133 -3.076
247 HA HIS 33 HA HIS 33 2.015 3.443 -4.146
248 HB2 HIS 33 2HB HIS 33 2.541 2.146 -6.202
249 HB3 HIS 33 1HB HIS 33 1.693 0.757 -5.566
250 HD1 HIS 33 1HD HIS 33 1.020 4.259 -6.866
251 HD2 HIS 33 2HD HIS 33 -0.965 0.709 -6.059
252 HE1 HIS 33 1HE HIS 33 -1.319 4.572 -7.702
253 H GLY 34 H GLY 34 -0.465 3.040 -3.949
254 HA2 GLY 34 2HA GLY 34 -1.420 0.923 -2.347
255 HA3 GLY 34 1HA GLY 34 -1.327 2.456 -1.464
256 H SER 35 H SER 35 -3.672 0.905 -2.618
257 HA SER 35 HA SER 35 -4.891 3.217 -3.871
258 HB2 SER 35 2HB SER 35 -3.658 2.078 -5.725
259 HB3 SER 35 1HB SER 35 -4.623 0.638 -5.434
260 HG SER 35 HG SER 35 -5.977 3.046 -5.874
261 H CYS 36 H CYS 36 -7.151 3.072 -4.010
262 HA CYS 36 HA CYS 36 -8.464 1.372 -2.144
263 HB2 CYS 36 2HB CYS 36 -9.649 3.163 -4.291
264 HB3 CYS 36 1HB CYS 36 -10.508 2.491 -2.916
265 H ASN 37 H ASN 37 -8.248 -0.726 -2.802
266 HA ASN 37 HA ASN 37 -9.185 -1.431 -5.489
267 HB2 ASN 37 2HB ASN 37 -6.860 -2.156 -4.838
268 HB3 ASN 37 1HB ASN 37 -7.571 -3.091 -3.530
269 HD21 ASN 37 1HD2 ASN 37 -7.068 -2.875 -6.940
270 HD22 ASN 37 2HD2 ASN 37 -7.609 -4.468 -7.325
271 H TYR 38 H TYR 38 -10.823 -2.942 -5.647
272 HA TYR 38 HA TYR 38 -12.490 -3.043 -3.311
273 HB2 TYR 38 2HB TYR 38 -13.557 -2.602 -5.459
274 HB3 TYR 38 1HB TYR 38 -12.989 -4.145 -6.083
275 HD1 TYR 38 2HD TYR 38 -15.426 -2.500 -3.883
276 HD2 TYR 38 1HD TYR 38 -14.051 -6.242 -5.372
277 HE1 TYR 38 2HE TYR 38 -17.468 -3.587 -3.060
278 HE2 TYR 38 1HE TYR 38 -16.076 -7.317 -4.573
279 HH TYR 38 HH TYR 38 -17.780 -6.983 -2.899
280 H VAL 39 H VAL 39 -12.382 -4.492 -1.901
281 HA VAL 39 HA VAL 39 -11.951 -7.253 -2.670
282 HB VAL 39 HB VAL 39 -10.886 -7.632 -0.431
283 HG11 VAL 39 1HG1 VAL 39 -8.672 -6.677 -0.936
284 HG12 VAL 39 2HG1 VAL 39 -9.414 -5.646 -2.160
285 HG13 VAL 39 3HG1 VAL 39 -9.431 -7.399 -2.354
286 HG21 VAL 39 3HG2 VAL 39 -11.775 -5.706 0.744
287 HG22 VAL 39 1HG2 VAL 39 -10.821 -4.625 -0.270
288 HG23 VAL 39 2HG2 VAL 39 -10.011 -5.727 0.844
289 H PHE 40 H PHE 40 -12.799 -8.457 -0.455
290 HA PHE 40 HA PHE 40 -15.497 -7.670 -0.445
291 HB2 PHE 40 2HB PHE 40 -14.848 -10.054 -0.283
292 HB3 PHE 40 1HB PHE 40 -14.138 -9.709 1.295
293 HD1 PHE 40 2HD PHE 40 -17.292 -10.037 -0.552
294 HD2 PHE 40 1HD PHE 40 -15.474 -9.588 3.262
295 HE1 PHE 40 2HE PHE 40 -19.434 -10.546 0.521
296 HE2 PHE 40 1HE PHE 40 -17.618 -10.100 4.348
297 HZ PHE 40 HZ PHE 40 -19.605 -10.577 2.972
298 HA PRO 41 HA PRO 41 -16.990 -6.878 0.138
299 HB2 PRO 41 2HB PRO 41 -18.904 -5.647 1.576
300 HB3 PRO 41 1HB PRO 41 -18.414 -7.313 1.895
301 HG2 PRO 41 2HG PRO 41 -18.011 -4.951 3.551
302 HG3 PRO 41 1HG PRO 41 -17.720 -6.649 3.959
303 HD2 PRO 41 2HD PRO 41 -15.831 -4.591 2.991
304 HD3 PRO 41 1HD PRO 41 -15.498 -6.104 3.863
305 H ALA 42 H ALA 42 -14.942 -4.522 0.394
306 HA ALA 42 HA ALA 42 -16.423 -2.482 -0.963
307 HB1 ALA 42 1HB ALA 42 -15.387 -1.872 1.803
308 HB2 ALA 42 2HB ALA 42 -17.085 -2.004 1.346
309 HB3 ALA 42 3HB ALA 42 -16.091 -0.707 0.683
310 H HIS 43 H HIS 43 -14.986 -0.456 -1.176
311 HA HIS 43 HA HIS 43 -12.440 -1.246 -2.193
312 HB2 HIS 43 2HB HIS 43 -13.781 1.449 -1.940
313 HB3 HIS 43 1HB HIS 43 -12.146 1.260 -2.546
314 HD1 HIS 43 1HD HIS 43 -15.670 1.176 -3.639
315 HD2 HIS 43 2HD HIS 43 -11.998 -0.238 -4.990
316 HE1 HIS 43 1HE HIS 43 -15.971 0.695 -6.073
317 H LYS 44 H LYS 44 -10.824 -1.614 -0.977
318 HA LYS 44 HA LYS 44 -10.421 0.012 1.415
319 HB2 LYS 44 2HB LYS 44 -9.796 -2.901 0.939
320 HB3 LYS 44 1HB LYS 44 -9.350 -1.997 2.380
321 HG2 LYS 44 2HG LYS 44 -11.743 -1.585 2.835
322 HG3 LYS 44 1HG LYS 44 -12.157 -2.553 1.424
323 HD2 LYS 44 2HD LYS 44 -11.076 -4.500 2.459
324 HD3 LYS 44 1HD LYS 44 -10.677 -3.512 3.865
325 HE2 LYS 44 2HE LYS 44 -13.067 -3.091 4.218
326 HE3 LYS 44 1HE LYS 44 -13.437 -4.159 2.867
327 HZ1 LYS 44 3HZ LYS 44 -12.475 -5.999 4.065
328 HZ2 LYS 44 1HZ LYS 44 -13.607 -5.234 5.059
329 HZ3 LYS 44 2HZ LYS 44 -11.956 -4.982 5.292
330 H CYS 45 H CYS 45 -8.021 0.227 1.933
331 HA CYS 45 HA CYS 45 -6.770 0.614 -0.648
332 HB2 CYS 45 2HB CYS 45 -6.819 2.519 0.991
333 HB3 CYS 45 1HB CYS 45 -5.738 1.574 2.018
334 H ILE 46 H ILE 46 -5.336 -0.644 -1.345
335 HA ILE 46 HA ILE 46 -4.105 -2.510 0.541
336 HB ILE 46 HB ILE 46 -4.287 -2.882 -2.463
337 HG12 ILE 46 2HG1 ILE 46 -6.601 -2.758 -1.648
338 HG13 ILE 46 1HG1 ILE 46 -6.171 -4.397 -2.140
339 HG21 ILE 46 1HG2 ILE 46 -3.988 -5.259 -1.853
340 HG22 ILE 46 2HG2 ILE 46 -3.791 -4.762 -0.172
341 HG23 ILE 46 3HG2 ILE 46 -2.627 -4.234 -1.387
342 HD11 ILE 46 3HD1 ILE 46 -6.344 -3.387 0.696
343 HD12 ILE 46 1HD1 ILE 46 -5.931 -5.030 0.205
344 HD13 ILE 46 2HD1 ILE 46 -7.542 -4.389 -0.124
345 H CYS 47 H CYS 47 -1.933 -2.274 0.761
346 HA CYS 47 HA CYS 47 -0.631 -0.201 -0.752
347 HB2 CYS 47 2HB CYS 47 0.459 -2.005 1.428
348 HB3 CYS 47 1HB CYS 47 1.167 -0.498 0.859
349 H TYR 48 H TYR 48 1.208 -0.602 -2.061
350 HA TYR 48 HA TYR 48 1.464 -3.403 -2.939
351 HB2 TYR 48 2HB TYR 48 1.655 -0.885 -4.578
352 HB3 TYR 48 1HB TYR 48 2.043 -2.486 -5.188
353 HD1 TYR 48 2HD TYR 48 -0.686 -0.269 -4.071
354 HD2 TYR 48 1HD TYR 48 0.289 -4.037 -5.779
355 HE1 TYR 48 2HE TYR 48 -3.028 -0.583 -4.689
356 HE2 TYR 48 1HE TYR 48 -2.051 -4.361 -6.404
357 HH TYR 48 HH TYR 48 -4.333 -1.901 -6.416
358 H PHE 49 H PHE 49 3.356 -4.260 -2.680
359 HA PHE 49 HA PHE 49 5.630 -2.545 -2.120
360 HB2 PHE 49 2HB PHE 49 4.959 -5.376 -1.326
361 HB3 PHE 49 1HB PHE 49 6.556 -4.673 -1.084
362 HD1 PHE 49 2HD PHE 49 3.008 -4.528 -0.065
363 HD2 PHE 49 1HD PHE 49 6.952 -3.027 0.570
364 HE1 PHE 49 2HE PHE 49 2.285 -3.454 2.009
365 HE2 PHE 49 1HE PHE 49 6.206 -1.971 2.642
366 HZ PHE 49 HZ PHE 49 3.858 -2.199 3.353
367 HA PRO 50 HA PRO 50 7.537 -4.145 -5.761
368 HB2 PRO 50 2HB PRO 50 10.045 -3.357 -5.387
369 HB3 PRO 50 1HB PRO 50 8.743 -2.177 -5.568
370 HG2 PRO 50 2HG PRO 50 10.166 -3.061 -3.101
371 HG3 PRO 50 1HG PRO 50 9.537 -1.459 -3.518
372 HD2 PRO 50 2HD PRO 50 8.240 -3.375 -1.880
373 HD3 PRO 50 1HD PRO 50 7.516 -1.924 -2.585
374 H CYS 51 H CYS 51 7.541 -6.325 -5.805
375 HA CYS 51 HA CYS 51 9.552 -7.748 -4.278
376 HB2 CYS 51 2HB CYS 51 7.365 -8.762 -6.113
377 HB3 CYS 51 1HB CYS 51 8.443 -9.787 -5.175
Start of MODEL 3
1 H1 GLN 1 1HT GLN 1 8.587 -7.051 -10.610
2 H2 GLN 1 2HT GLN 1 9.842 -7.015 -11.707
3 H3 GLN 1 3HT GLN 1 8.294 -7.475 -12.213
4 HA GLN 1 HA GLN 1 9.048 -4.797 -11.241
5 HB2 GLN 1 2HB GLN 1 8.435 -5.766 -14.042
6 HB3 GLN 1 1HB GLN 1 8.612 -4.084 -13.579
7 HG2 GLN 1 2HG GLN 1 10.725 -6.184 -13.307
8 HG3 GLN 1 1HG GLN 1 10.646 -4.993 -14.612
9 HE21 GLN 1 1HE2 GLN 1 11.018 -2.823 -14.102
10 HE22 GLN 1 2HE2 GLN 1 11.841 -2.338 -12.666
11 H LYS 2 H LYS 2 6.802 -6.732 -10.526
12 HA LYS 2 HA LYS 2 4.516 -5.103 -11.376
13 HB2 LYS 2 2HB LYS 2 4.757 -7.924 -10.330
14 HB3 LYS 2 1HB LYS 2 3.227 -7.073 -10.357
15 HG2 LYS 2 2HG LYS 2 4.904 -7.596 -12.802
16 HG3 LYS 2 1HG LYS 2 3.601 -8.650 -12.256
17 HD2 LYS 2 2HD LYS 2 2.039 -6.728 -12.446
18 HD3 LYS 2 1HD LYS 2 3.363 -5.763 -13.103
19 HE2 LYS 2 2HE LYS 2 3.572 -7.273 -14.979
20 HE3 LYS 2 1HE LYS 2 2.334 -8.331 -14.307
21 HZ1 LYS 2 3HZ LYS 2 1.415 -6.943 -16.034
22 HZ2 LYS 2 1HZ LYS 2 1.911 -5.537 -15.248
23 HZ3 LYS 2 2HZ LYS 2 0.743 -6.523 -14.563
24 H LEU 3 H LEU 3 2.792 -5.408 -9.416
25 HA LEU 3 HA LEU 3 4.181 -4.672 -6.944
26 HB2 LEU 3 2HB LEU 3 1.578 -3.596 -8.040
27 HB3 LEU 3 1HB LEU 3 2.189 -3.278 -6.433
28 HG LEU 3 HG LEU 3 3.536 -2.407 -8.993
29 HD11 LEU 3 1HD1 LEU 3 1.430 -1.241 -8.624
30 HD12 LEU 3 2HD1 LEU 3 2.800 -0.164 -8.353
31 HD13 LEU 3 3HD1 LEU 3 1.926 -0.843 -6.981
32 HD21 LEU 3 3HD2 LEU 3 4.131 -1.766 -6.099
33 HD22 LEU 3 1HD2 LEU 3 4.920 -1.033 -7.498
34 HD23 LEU 3 2HD2 LEU 3 5.122 -2.751 -7.176
35 H CYS 4 H CYS 4 3.631 -5.812 -5.226
36 HA CYS 4 HA CYS 4 1.403 -7.705 -5.468
37 HB2 CYS 4 2HB CYS 4 3.802 -7.724 -3.624
38 HB3 CYS 4 1HB CYS 4 2.554 -8.969 -3.701
39 H GLN 5 H GLN 5 -0.302 -7.472 -4.127
40 HA GLN 5 HA GLN 5 -0.221 -5.165 -2.435
41 HB2 GLN 5 2HB GLN 5 -2.725 -5.544 -2.192
42 HB3 GLN 5 1HB GLN 5 -2.139 -5.129 -3.783
43 HG2 GLN 5 2HG GLN 5 -3.790 -6.755 -4.113
44 HG3 GLN 5 1HG GLN 5 -2.270 -7.608 -4.320
45 HE21 GLN 5 1HE2 GLN 5 -5.079 -7.184 -2.375
46 HE22 GLN 5 2HE2 GLN 5 -4.862 -8.607 -1.403
47 H ARG 6 H ARG 6 -0.922 -5.075 -0.283
48 HA ARG 6 HA ARG 6 -0.702 -7.576 1.224
49 HB2 ARG 6 2HB ARG 6 1.548 -6.504 0.967
50 HB3 ARG 6 1HB ARG 6 0.909 -5.092 1.785
51 HG2 ARG 6 2HG ARG 6 0.445 -6.531 3.771
52 HG3 ARG 6 1HG ARG 6 1.278 -7.850 2.940
53 HD2 ARG 6 2HD ARG 6 3.252 -6.318 2.704
54 HD3 ARG 6 1HD ARG 6 2.409 -5.189 3.757
55 HE ARG 6 HE ARG 6 2.945 -7.904 4.669
56 HH11 ARG 6 1HH1 ARG 6 3.431 -4.372 5.108
57 HH12 ARG 6 2HH1 ARG 6 4.435 -4.590 6.446
58 HH21 ARG 6 1HH2 ARG 6 4.343 -8.102 6.565
59 HH22 ARG 6 2HH2 ARG 6 4.948 -6.695 7.297
60 HA PRO 7 HA PRO 7 -3.875 -5.213 3.500
61 HB2 PRO 7 2HB PRO 7 -3.856 -7.616 5.216
62 HB3 PRO 7 1HB PRO 7 -5.212 -6.905 4.340
63 HG2 PRO 7 2HG PRO 7 -4.108 -9.242 3.585
64 HG3 PRO 7 1HG PRO 7 -4.761 -8.088 2.409
65 HD2 PRO 7 2HD PRO 7 -1.912 -8.612 3.167
66 HD3 PRO 7 1HD PRO 7 -2.622 -8.289 1.571
67 H SER 8 H SER 8 -2.689 -3.731 4.518
68 HA SER 8 HA SER 8 -0.550 -4.520 6.276
69 HB2 SER 8 2HB SER 8 -1.245 -1.938 4.941
70 HB3 SER 8 1HB SER 8 0.171 -2.204 5.964
71 HG SER 8 HG SER 8 1.103 -3.050 4.363
72 H GLY 9 H GLY 9 -0.111 -3.260 8.196
73 HA2 GLY 9 2HA GLY 9 -2.377 -3.084 9.928
74 HA3 GLY 9 1HA GLY 9 -0.705 -2.737 10.347
75 H THR 10 H THR 10 -0.250 -0.724 8.360
76 HA THR 10 HA THR 10 -1.275 1.548 9.613
77 HB THR 10 HB THR 10 0.727 1.861 8.362
78 HG1 THR 10 1HG THR 10 -0.931 3.588 8.255
79 HG21 THR 10 3HG2 THR 10 -0.757 1.037 5.852
80 HG22 THR 10 1HG2 THR 10 0.450 0.066 6.704
81 HG23 THR 10 2HG2 THR 10 0.925 1.576 5.947
82 H TRP 11 H TRP 11 -2.401 -0.282 6.936
83 HA TRP 11 HA TRP 11 -4.495 1.325 6.075
84 HB2 TRP 11 2HB TRP 11 -4.041 -0.482 4.661
85 HB3 TRP 11 1HB TRP 11 -4.020 -1.638 5.986
86 HD1 TRP 11 HD TRP 11 -6.842 0.744 4.688
87 HE1 TRP 11 1HE TRP 11 -8.977 -0.673 4.422
88 HE3 TRP 11 3HE TRP 11 -4.944 -3.799 5.999
89 HZ2 TRP 11 2HZ TRP 11 -9.732 -3.404 4.704
90 HZ3 TRP 11 3HZ TRP 11 -6.427 -5.768 5.961
91 HH2 TRP 11 HH TRP 11 -8.769 -5.560 5.325
92 H SER 12 H SER 12 -5.799 2.226 7.362
93 HA SER 12 HA SER 12 -7.669 0.642 8.835
94 HB2 SER 12 2HB SER 12 -5.889 1.226 10.495
95 HB3 SER 12 1HB SER 12 -6.142 2.930 10.126
96 HG SER 12 HG SER 12 -7.313 2.529 11.885
97 H GLY 13 H GLY 13 -9.093 1.253 7.282
98 HA2 GLY 13 2HA GLY 13 -10.701 3.331 7.534
99 HA3 GLY 13 1HA GLY 13 -9.373 4.051 6.623
100 H VAL 14 H VAL 14 -11.615 4.189 5.436
101 HA VAL 14 HA VAL 14 -11.982 1.865 3.723
102 HB VAL 14 HB VAL 14 -14.073 2.930 2.982
103 HG11 VAL 14 1HG1 VAL 14 -14.138 1.408 4.880
104 HG12 VAL 14 2HG1 VAL 14 -15.335 2.689 5.069
105 HG13 VAL 14 3HG1 VAL 14 -13.827 2.748 5.983
106 HG21 VAL 14 3HG2 VAL 14 -13.413 5.272 3.260
107 HG22 VAL 14 1HG2 VAL 14 -13.423 5.072 5.012
108 HG23 VAL 14 2HG2 VAL 14 -14.926 4.933 4.096
109 H CYS 15 H CYS 15 -12.624 2.520 1.415
110 HA CYS 15 HA CYS 15 -10.357 3.751 0.269
111 HB2 CYS 15 2HB CYS 15 -11.447 1.965 -0.895
112 HB3 CYS 15 1HB CYS 15 -12.961 2.861 -0.941
113 H GLY 16 H GLY 16 -10.061 5.843 0.503
114 HA2 GLY 16 2HA GLY 16 -12.146 7.581 -0.573
115 HA3 GLY 16 1HA GLY 16 -11.154 8.062 0.806
116 H ASN 17 H ASN 17 -9.018 8.550 0.495
117 HA ASN 17 HA ASN 17 -8.369 9.306 -2.221
118 HB2 ASN 17 2HB ASN 17 -7.217 10.052 0.428
119 HB3 ASN 17 1HB ASN 17 -6.277 10.300 -1.035
120 HD21 ASN 17 1HD2 ASN 17 -6.957 11.787 -2.513
121 HD22 ASN 17 2HD2 ASN 17 -8.087 13.029 -2.112
122 H ASN 18 H ASN 18 -7.293 8.022 -3.442
123 HA ASN 18 HA ASN 18 -5.982 5.645 -2.578
124 HB2 ASN 18 2HB ASN 18 -6.034 7.083 -5.217
125 HB3 ASN 18 1HB ASN 18 -5.022 5.667 -4.975
126 HD21 ASN 18 1HD2 ASN 18 -8.256 6.869 -5.362
127 HD22 ASN 18 2HD2 ASN 18 -8.996 5.325 -5.524
128 H ASN 19 H ASN 19 -4.815 8.791 -3.608
129 HA ASN 19 HA ASN 19 -2.089 8.015 -3.511
130 HB2 ASN 19 2HB ASN 19 -1.536 10.361 -3.841
131 HB3 ASN 19 1HB ASN 19 -2.831 9.890 -4.926
132 HD21 ASN 19 1HD2 ASN 19 -1.988 12.476 -3.907
133 HD22 ASN 19 2HD2 ASN 19 -3.369 13.184 -3.160
134 H ALA 20 H ALA 20 -4.262 9.503 -1.244
135 HA ALA 20 HA ALA 20 -2.353 10.263 0.694
136 HB1 ALA 20 1HB ALA 20 -4.700 11.056 0.659
137 HB2 ALA 20 2HB ALA 20 -4.183 10.461 2.238
138 HB3 ALA 20 3HB ALA 20 -5.209 9.461 1.207
139 H CYS 21 H CYS 21 -4.212 7.241 0.309
140 HA CYS 21 HA CYS 21 -2.906 6.194 2.601
141 HB2 CYS 21 2HB CYS 21 -3.979 4.002 1.932
142 HB3 CYS 21 1HB CYS 21 -5.068 5.323 2.313
143 H LYS 22 H LYS 22 -2.298 6.100 -0.818
144 HA LYS 22 HA LYS 22 -0.307 4.154 -0.958
145 HB2 LYS 22 2HB LYS 22 -1.244 5.437 -2.883
146 HB3 LYS 22 1HB LYS 22 -0.389 6.859 -2.313
147 HG2 LYS 22 2HG LYS 22 1.742 5.780 -2.739
148 HG3 LYS 22 1HG LYS 22 0.905 4.300 -3.216
149 HD2 LYS 22 2HD LYS 22 1.522 5.438 -5.225
150 HD3 LYS 22 1HD LYS 22 -0.214 5.611 -5.028
151 HE2 LYS 22 2HE LYS 22 0.722 7.706 -5.749
152 HE3 LYS 22 1HE LYS 22 0.146 7.878 -4.096
153 HZ1 LYS 22 3HZ LYS 22 2.983 7.498 -4.933
154 HZ2 LYS 22 1HZ LYS 22 2.476 7.670 -3.332
155 HZ3 LYS 22 2HZ LYS 22 2.276 8.923 -4.400
156 H ASN 23 H ASN 23 0.008 7.626 -0.396
157 HA ASN 23 HA ASN 23 2.701 7.684 0.242
158 HB2 ASN 23 2HB ASN 23 1.426 9.620 -0.476
159 HB3 ASN 23 1HB ASN 23 0.418 9.522 0.958
160 HD21 ASN 23 1HD2 ASN 23 1.138 10.390 2.831
161 HD22 ASN 23 2HD2 ASN 23 2.620 11.261 2.927
162 H GLN 24 H GLN 24 -0.182 7.208 2.194
163 HA GLN 24 HA GLN 24 1.002 7.390 4.738
164 HB2 GLN 24 2HB GLN 24 -1.473 7.364 4.231
165 HB3 GLN 24 1HB GLN 24 -1.325 5.633 3.977
166 HG2 GLN 24 2HG GLN 24 -0.513 5.410 6.304
167 HG3 GLN 24 1HG GLN 24 -0.840 7.128 6.541
168 HE21 GLN 24 1HE2 GLN 24 -2.143 4.011 6.237
169 HE22 GLN 24 2HE2 GLN 24 -3.798 4.391 6.570
170 H CYS 25 H CYS 25 0.588 4.639 2.491
171 HA CYS 25 HA CYS 25 1.504 2.665 4.294
172 HB2 CYS 25 2HB CYS 25 1.578 2.752 1.256
173 HB3 CYS 25 1HB CYS 25 1.998 1.325 2.203
174 H ILE 26 H ILE 26 3.041 4.560 1.799
175 HA ILE 26 HA ILE 26 5.654 3.629 2.015
176 HB ILE 26 HB ILE 26 4.644 6.356 1.141
177 HG12 ILE 26 2HG1 ILE 26 5.386 3.998 -0.578
178 HG13 ILE 26 1HG1 ILE 26 3.755 4.228 0.036
179 HG21 ILE 26 1HG2 ILE 26 7.071 6.380 1.588
180 HG22 ILE 26 2HG2 ILE 26 6.744 6.501 -0.141
181 HG23 ILE 26 3HG2 ILE 26 7.275 4.969 0.549
182 HD11 ILE 26 3HD1 ILE 26 5.236 6.198 -1.685
183 HD12 ILE 26 1HD1 ILE 26 3.571 6.287 -1.092
184 HD13 ILE 26 2HD1 ILE 26 4.022 5.023 -2.240
185 H ARG 27 H ARG 27 3.941 6.096 3.857
186 HA ARG 27 HA ARG 27 6.324 6.951 5.227
187 HB2 ARG 27 2HB ARG 27 3.433 7.646 5.662
188 HB3 ARG 27 1HB ARG 27 4.737 8.266 6.650
189 HG2 ARG 27 2HG ARG 27 4.329 8.760 3.706
190 HG3 ARG 27 1HG ARG 27 4.021 9.896 5.017
191 HD2 ARG 27 2HD ARG 27 6.093 10.595 4.283
192 HD3 ARG 27 1HD ARG 27 6.540 9.487 5.577
193 HE ARG 27 HE ARG 27 6.436 8.648 2.779
194 HH11 ARG 27 1HH1 ARG 27 8.233 8.794 5.840
195 HH12 ARG 27 2HH1 ARG 27 9.652 8.144 5.210
196 HH21 ARG 27 1HH2 ARG 27 8.413 7.733 1.908
197 HH22 ARG 27 2HH2 ARG 27 9.761 7.509 2.923
198 H LEU 28 H LEU 28 3.987 4.454 5.768
199 HA LEU 28 HA LEU 28 4.719 4.448 8.589
200 HB2 LEU 28 2HB LEU 28 2.337 3.342 7.152
201 HB3 LEU 28 1HB LEU 28 2.846 2.570 8.621
202 HG LEU 28 HG LEU 28 1.040 4.126 9.020
203 HD11 LEU 28 1HD1 LEU 28 2.620 3.754 10.808
204 HD12 LEU 28 2HD1 LEU 28 1.999 5.401 10.854
205 HD13 LEU 28 3HD1 LEU 28 3.620 5.092 10.237
206 HD21 LEU 28 3HD2 LEU 28 1.350 6.555 8.826
207 HD22 LEU 28 1HD2 LEU 28 1.428 5.747 7.262
208 HD23 LEU 28 2HD2 LEU 28 2.911 6.282 8.049
209 H GLU 29 H GLU 29 4.188 1.986 6.104
210 HA GLU 29 HA GLU 29 6.234 0.478 7.549
211 HB2 GLU 29 2HB GLU 29 5.305 -1.573 6.482
212 HB3 GLU 29 1HB GLU 29 4.217 -0.765 7.596
213 HG2 GLU 29 2HG GLU 29 3.051 0.220 5.660
214 HG3 GLU 29 1HG GLU 29 4.108 -0.711 4.593
215 H LYS 30 H LYS 30 5.817 2.319 5.015
216 HA LYS 30 HA LYS 30 7.045 2.934 3.311
217 HB2 LYS 30 2HB LYS 30 9.175 1.114 4.440
218 HB3 LYS 30 1HB LYS 30 9.436 2.380 3.245
219 HG2 LYS 30 2HG LYS 30 8.737 4.073 4.836
220 HG3 LYS 30 1HG LYS 30 8.379 2.830 6.028
221 HD2 LYS 30 2HD LYS 30 10.758 2.196 6.029
222 HD3 LYS 30 1HD LYS 30 11.084 3.507 4.888
223 HE2 LYS 30 2HE LYS 30 11.598 4.223 7.152
224 HE3 LYS 30 1HE LYS 30 10.227 5.124 6.518
225 HZ1 LYS 30 3HZ LYS 30 10.037 2.809 8.386
226 HZ2 LYS 30 1HZ LYS 30 8.735 3.707 7.820
227 HZ3 LYS 30 2HZ LYS 30 9.892 4.400 8.817
228 H ALA 31 H ALA 31 5.307 1.678 2.380
229 HA ALA 31 HA ALA 31 6.124 -0.622 0.819
230 HB1 ALA 31 1HB ALA 31 3.832 -0.501 1.709
231 HB2 ALA 31 2HB ALA 31 3.827 -0.533 -0.054
232 HB3 ALA 31 3HB ALA 31 3.564 0.988 0.798
233 H ARG 32 H ARG 32 5.171 -0.242 -1.641
234 HA ARG 32 HA ARG 32 6.740 2.058 -2.562
235 HB2 ARG 32 2HB ARG 32 7.400 -0.149 -3.400
236 HB3 ARG 32 1HB ARG 32 5.804 -0.374 -4.097
237 HG2 ARG 32 2HG ARG 32 7.386 0.219 -5.827
238 HG3 ARG 32 1HG ARG 32 6.245 1.541 -5.607
239 HD2 ARG 32 2HD ARG 32 8.972 1.470 -4.313
240 HD3 ARG 32 1HD ARG 32 8.671 2.203 -5.880
241 HE ARG 32 HE ARG 32 7.005 3.629 -4.609
242 HH11 ARG 32 1HH1 ARG 32 9.911 2.370 -3.036
243 HH12 ARG 32 2HH1 ARG 32 10.120 3.724 -2.027
244 HH21 ARG 32 1HH2 ARG 32 7.284 5.471 -3.216
245 HH22 ARG 32 2HH2 ARG 32 8.602 5.544 -2.140
246 H HIS 33 H HIS 33 3.578 0.661 -2.531
247 HA HIS 33 HA HIS 33 2.483 3.074 -3.625
248 HB2 HIS 33 2HB HIS 33 3.019 1.668 -5.607
249 HB3 HIS 33 1HB HIS 33 2.075 0.352 -4.976
250 HD1 HIS 33 1HD HIS 33 1.858 3.478 -6.957
251 HD2 HIS 33 2HD HIS 33 -0.758 0.766 -5.200
252 HE1 HIS 33 1HE HIS 33 -0.385 3.908 -7.999
253 H GLY 34 H GLY 34 -0.047 2.728 -3.531
254 HA2 GLY 34 2HA GLY 34 -1.107 0.756 -1.804
255 HA3 GLY 34 1HA GLY 34 -0.994 2.330 -1.016
256 H SER 35 H SER 35 -3.369 0.771 -2.153
257 HA SER 35 HA SER 35 -4.573 3.020 -3.470
258 HB2 SER 35 2HB SER 35 -3.150 1.989 -5.275
259 HB3 SER 35 1HB SER 35 -4.070 0.508 -5.087
260 HG SER 35 HG SER 35 -5.335 2.979 -5.704
261 H CYS 36 H CYS 36 -6.812 2.465 -4.131
262 HA CYS 36 HA CYS 36 -8.114 0.843 -2.225
263 HB2 CYS 36 2HB CYS 36 -9.059 2.285 -4.688
264 HB3 CYS 36 1HB CYS 36 -10.133 1.394 -3.626
265 H ASN 37 H ASN 37 -7.509 -1.199 -2.452
266 HA ASN 37 HA ASN 37 -7.786 -2.557 -5.005
267 HB2 ASN 37 2HB ASN 37 -5.853 -3.089 -3.512
268 HB3 ASN 37 1HB ASN 37 -6.984 -3.610 -2.274
269 HD21 ASN 37 1HD2 ASN 37 -7.212 -4.287 -5.755
270 HD22 ASN 37 2HD2 ASN 37 -7.018 -5.986 -5.597
271 H TYR 38 H TYR 38 -9.545 -3.910 -5.398
272 HA TYR 38 HA TYR 38 -11.684 -3.607 -3.522
273 HB2 TYR 38 2HB TYR 38 -12.243 -3.456 -5.916
274 HB3 TYR 38 1HB TYR 38 -11.712 -5.124 -6.146
275 HD1 TYR 38 1HD TYR 38 -14.182 -3.053 -4.283
276 HD2 TYR 38 2HD TYR 38 -13.226 -6.915 -5.784
277 HE1 TYR 38 1HE TYR 38 -16.402 -3.853 -3.635
278 HE2 TYR 38 2HE TYR 38 -15.450 -7.721 -5.154
279 HH TYR 38 HH TYR 38 -17.956 -5.599 -4.182
280 H VAL 39 H VAL 39 -11.198 -4.678 -1.796
281 HA VAL 39 HA VAL 39 -10.952 -7.554 -2.061
282 HB VAL 39 HB VAL 39 -10.480 -7.575 0.371
283 HG11 VAL 39 1HG1 VAL 39 -8.739 -5.640 -1.154
284 HG12 VAL 39 2HG1 VAL 39 -8.595 -7.396 -1.151
285 HG13 VAL 39 3HG1 VAL 39 -8.274 -6.484 0.322
286 HG21 VAL 39 3HG2 VAL 39 -10.117 -5.489 1.604
287 HG22 VAL 39 1HG2 VAL 39 -11.776 -5.611 1.017
288 HG23 VAL 39 2HG2 VAL 39 -10.623 -4.566 0.187
289 H PHE 40 H PHE 40 -12.435 -8.775 -0.624
290 HA PHE 40 HA PHE 40 -15.026 -7.863 -1.270
291 HB2 PHE 40 2HB PHE 40 -14.280 -10.229 -1.360
292 HB3 PHE 40 1HB PHE 40 -14.225 -10.245 0.396
293 HD1 PHE 40 1HD PHE 40 -16.516 -9.660 -2.462
294 HD2 PHE 40 2HD PHE 40 -16.096 -10.882 1.592
295 HE1 PHE 40 1HE PHE 40 -18.860 -10.371 -2.435
296 HE2 PHE 40 2HE PHE 40 -18.443 -11.592 1.613
297 HZ PHE 40 HZ PHE 40 -19.821 -11.334 -0.390
298 HA PRO 41 HA PRO 41 -16.811 -7.373 -1.008
299 HB2 PRO 41 2HB PRO 41 -19.039 -6.404 -0.100
300 HB3 PRO 41 1HB PRO 41 -18.490 -7.963 0.530
301 HG2 PRO 41 2HG PRO 41 -18.410 -5.270 1.819
302 HG3 PRO 41 1HG PRO 41 -18.718 -6.845 2.560
303 HD2 PRO 41 2HD PRO 41 -16.230 -5.449 2.426
304 HD3 PRO 41 1HD PRO 41 -16.492 -7.101 3.021
305 H ALA 42 H ALA 42 -14.998 -4.975 0.113
306 HA ALA 42 HA ALA 42 -16.085 -2.978 -1.617
307 HB1 ALA 42 1HB ALA 42 -16.332 -1.235 0.081
308 HB2 ALA 42 2HB ALA 42 -15.963 -2.411 1.343
309 HB3 ALA 42 3HB ALA 42 -17.431 -2.580 0.384
310 H HIS 43 H HIS 43 -14.660 -1.304 -2.004
311 HA HIS 43 HA HIS 43 -11.957 -1.996 -2.156
312 HB2 HIS 43 2HB HIS 43 -13.316 0.672 -2.483
313 HB3 HIS 43 1HB HIS 43 -11.605 0.421 -2.767
314 HD1 HIS 43 1HD HIS 43 -14.981 -0.172 -4.304
315 HD2 HIS 43 2HD HIS 43 -10.979 -1.006 -5.059
316 HE1 HIS 43 1HE HIS 43 -14.864 -0.912 -6.706
317 H LYS 44 H LYS 44 -10.240 -1.654 -0.958
318 HA LYS 44 HA LYS 44 -10.381 0.120 1.380
319 HB2 LYS 44 2HB LYS 44 -9.248 -2.684 1.299
320 HB3 LYS 44 1HB LYS 44 -9.112 -1.576 2.649
321 HG2 LYS 44 2HG LYS 44 -11.686 -2.698 1.576
322 HG3 LYS 44 1HG LYS 44 -10.826 -3.318 2.980
323 HD2 LYS 44 2HD LYS 44 -11.093 -1.098 4.049
324 HD3 LYS 44 1HD LYS 44 -12.041 -0.576 2.656
325 HE2 LYS 44 2HE LYS 44 -12.720 -2.866 4.497
326 HE3 LYS 44 1HE LYS 44 -13.499 -1.285 4.481
327 HZ1 LYS 44 3HZ LYS 44 -13.500 -3.225 2.230
328 HZ2 LYS 44 1HZ LYS 44 -14.266 -1.712 2.254
329 HZ3 LYS 44 2HZ LYS 44 -14.763 -2.951 3.293
330 H CYS 45 H CYS 45 -8.235 0.853 2.009
331 HA CYS 45 HA CYS 45 -6.470 0.991 -0.241
332 HB2 CYS 45 2HB CYS 45 -6.469 2.305 2.444
333 HB3 CYS 45 1HB CYS 45 -5.059 2.360 1.388
334 H ILE 46 H ILE 46 -5.567 -0.824 -0.583
335 HA ILE 46 HA ILE 46 -4.232 -2.264 1.565
336 HB ILE 46 HB ILE 46 -4.818 -2.983 -1.337
337 HG12 ILE 46 2HG1 ILE 46 -6.853 -2.910 0.001
338 HG13 ILE 46 1HG1 ILE 46 -6.461 -4.570 -0.426
339 HG21 ILE 46 1HG2 ILE 46 -2.823 -4.129 -0.610
340 HG22 ILE 46 2HG2 ILE 46 -4.172 -5.268 -0.756
341 HG23 ILE 46 3HG2 ILE 46 -3.660 -4.704 0.830
342 HD11 ILE 46 3HD1 ILE 46 -6.001 -3.263 2.254
343 HD12 ILE 46 1HD1 ILE 46 -5.568 -4.922 1.833
344 HD13 ILE 46 2HD1 ILE 46 -7.259 -4.429 1.851
345 H CYS 47 H CYS 47 -1.915 -2.605 1.434
346 HA CYS 47 HA CYS 47 -0.682 -0.431 -0.044
347 HB2 CYS 47 2HB CYS 47 0.469 -2.239 2.098
348 HB3 CYS 47 1HB CYS 47 1.298 -0.868 1.368
349 H TYR 48 H TYR 48 1.119 -0.776 -1.398
350 HA TYR 48 HA TYR 48 1.226 -3.504 -2.472
351 HB2 TYR 48 2HB TYR 48 1.158 -0.862 -3.865
352 HB3 TYR 48 1HB TYR 48 1.760 -2.301 -4.687
353 HD1 TYR 48 2HD TYR 48 -1.233 -0.868 -2.962
354 HD2 TYR 48 1HD TYR 48 0.200 -3.701 -5.793
355 HE1 TYR 48 2HE TYR 48 -3.534 -1.341 -3.647
356 HE2 TYR 48 1HE TYR 48 -2.094 -4.175 -6.484
357 HH TYR 48 HH TYR 48 -4.328 -3.996 -5.635
358 H PHE 49 H PHE 49 3.129 -4.371 -2.629
359 HA PHE 49 HA PHE 49 5.493 -2.707 -2.236
360 HB2 PHE 49 2HB PHE 49 4.908 -5.567 -1.445
361 HB3 PHE 49 1HB PHE 49 6.546 -4.925 -1.476
362 HD1 PHE 49 2HD PHE 49 3.216 -4.524 0.095
363 HD2 PHE 49 1HD PHE 49 7.360 -3.588 0.274
364 HE1 PHE 49 2HE PHE 49 2.914 -3.600 2.356
365 HE2 PHE 49 1HE PHE 49 7.062 -2.668 2.530
366 HZ PHE 49 HZ PHE 49 4.822 -2.679 3.573
367 HA PRO 50 HA PRO 50 6.678 -3.838 -6.271
368 HB2 PRO 50 2HB PRO 50 9.347 -3.492 -6.199
369 HB3 PRO 50 1HB PRO 50 8.216 -2.140 -6.075
370 HG2 PRO 50 2HG PRO 50 9.770 -3.522 -3.949
371 HG3 PRO 50 1HG PRO 50 9.367 -1.801 -4.101
372 HD2 PRO 50 2HD PRO 50 8.065 -3.634 -2.466
373 HD3 PRO 50 1HD PRO 50 7.392 -2.086 -2.992
374 H CYS 51 H CYS 51 6.897 -5.631 -7.357
375 HA CYS 51 HA CYS 51 8.668 -7.728 -6.388
376 HB2 CYS 51 2HB CYS 51 5.905 -8.103 -7.589
377 HB3 CYS 51 1HB CYS 51 7.010 -9.397 -7.146
Start of MODEL 4
1 H1 GLN 1 1HT GLN 1 9.395 -5.293 -12.728
2 H2 GLN 1 2HT GLN 1 9.205 -6.805 -12.083
3 H3 GLN 1 3HT GLN 1 10.656 -5.963 -11.808
4 HA GLN 1 HA GLN 1 9.227 -5.914 -9.856
5 HB2 GLN 1 2HB GLN 1 9.212 -3.248 -11.302
6 HB3 GLN 1 1HB GLN 1 8.969 -3.488 -9.585
7 HG2 GLN 1 2HG GLN 1 11.256 -4.276 -9.359
8 HG3 GLN 1 1HG GLN 1 11.496 -4.093 -11.095
9 HE21 GLN 1 1HE2 GLN 1 11.651 -2.032 -11.954
10 HE22 GLN 1 2HE2 GLN 1 11.997 -0.646 -11.000
11 H LYS 2 H LYS 2 7.183 -6.589 -9.459
12 HA LYS 2 HA LYS 2 5.078 -5.065 -10.823
13 HB2 LYS 2 2HB LYS 2 3.551 -6.942 -10.674
14 HB3 LYS 2 1HB LYS 2 5.003 -7.483 -11.495
15 HG2 LYS 2 2HG LYS 2 5.751 -8.636 -9.535
16 HG3 LYS 2 1HG LYS 2 4.437 -7.947 -8.580
17 HD2 LYS 2 2HD LYS 2 2.812 -9.106 -9.967
18 HD3 LYS 2 1HD LYS 2 4.111 -9.789 -10.939
19 HE2 LYS 2 2HE LYS 2 3.689 -10.260 -7.987
20 HE3 LYS 2 1HE LYS 2 3.252 -11.387 -9.268
21 HZ1 LYS 2 3HZ LYS 2 6.006 -10.476 -8.594
22 HZ2 LYS 2 1HZ LYS 2 5.594 -11.514 -9.876
23 HZ3 LYS 2 2HZ LYS 2 5.326 -11.998 -8.297
24 H LEU 3 H LEU 3 3.103 -4.856 -9.420
25 HA LEU 3 HA LEU 3 4.101 -4.207 -6.787
26 HB2 LEU 3 2HB LEU 3 1.534 -3.482 -8.155
27 HB3 LEU 3 1HB LEU 3 2.038 -2.907 -6.592
28 HG LEU 3 HG LEU 3 3.463 -2.302 -9.177
29 HD11 LEU 3 1HD1 LEU 3 2.626 -0.040 -8.846
30 HD12 LEU 3 2HD1 LEU 3 1.727 -0.575 -7.426
31 HD13 LEU 3 3HD1 LEU 3 1.305 -1.194 -9.024
32 HD21 LEU 3 3HD2 LEU 3 5.008 -2.371 -7.296
33 HD22 LEU 3 1HD2 LEU 3 3.940 -1.324 -6.358
34 HD23 LEU 3 2HD2 LEU 3 4.735 -0.703 -7.801
35 H CYS 4 H CYS 4 3.916 -5.684 -5.365
36 HA CYS 4 HA CYS 4 1.752 -7.614 -5.482
37 HB2 CYS 4 2HB CYS 4 2.995 -8.659 -3.524
38 HB3 CYS 4 1HB CYS 4 3.875 -8.620 -5.044
39 H GLN 5 H GLN 5 0.026 -7.519 -4.211
40 HA GLN 5 HA GLN 5 -0.234 -5.123 -2.619
41 HB2 GLN 5 2HB GLN 5 -2.656 -5.657 -2.570
42 HB3 GLN 5 1HB GLN 5 -2.008 -5.457 -4.182
43 HG2 GLN 5 2HG GLN 5 -1.972 -7.869 -4.486
44 HG3 GLN 5 1HG GLN 5 -2.578 -8.088 -2.845
45 HE21 GLN 5 1HE2 GLN 5 -4.422 -5.812 -3.052
46 HE22 GLN 5 2HE2 GLN 5 -5.712 -6.352 -4.062
47 H ARG 6 H ARG 6 -0.474 -5.014 -0.528
48 HA ARG 6 HA ARG 6 -0.423 -7.513 1.002
49 HB2 ARG 6 2HB ARG 6 1.783 -6.386 0.915
50 HB3 ARG 6 1HB ARG 6 1.048 -4.951 1.613
51 HG2 ARG 6 2HG ARG 6 0.392 -6.362 3.583
52 HG3 ARG 6 1HG ARG 6 1.389 -7.645 2.894
53 HD2 ARG 6 2HD ARG 6 3.309 -6.060 2.909
54 HD3 ARG 6 1HD ARG 6 2.283 -4.911 3.766
55 HE ARG 6 HE ARG 6 2.583 -7.546 4.916
56 HH11 ARG 6 1HH1 ARG 6 3.337 -4.074 5.127
57 HH12 ARG 6 2HH1 ARG 6 4.207 -4.232 6.584
58 HH21 ARG 6 1HH2 ARG 6 3.755 -7.711 6.960
59 HH22 ARG 6 2HH2 ARG 6 4.428 -6.321 7.658
60 HA PRO 7 HA PRO 7 -3.839 -5.356 3.119
61 HB2 PRO 7 2HB PRO 7 -3.921 -7.885 4.631
62 HB3 PRO 7 1HB PRO 7 -5.193 -7.155 3.651
63 HG2 PRO 7 2HG PRO 7 -3.928 -9.406 2.901
64 HG3 PRO 7 1HG PRO 7 -4.507 -8.207 1.732
65 HD2 PRO 7 2HD PRO 7 -1.735 -8.664 2.759
66 HD3 PRO 7 1HD PRO 7 -2.293 -8.299 1.109
67 H SER 8 H SER 8 -3.345 -4.104 4.913
68 HA SER 8 HA SER 8 -1.423 -5.140 6.801
69 HB2 SER 8 2HB SER 8 -0.124 -4.136 4.968
70 HB3 SER 8 1HB SER 8 -0.994 -2.625 5.186
71 HG SER 8 HG SER 8 0.843 -2.446 6.141
72 H GLY 9 H GLY 9 -1.182 -3.704 8.654
73 HA2 GLY 9 2HA GLY 9 -3.756 -2.572 9.394
74 HA3 GLY 9 1HA GLY 9 -2.437 -2.973 10.479
75 H THR 10 H THR 10 -1.563 -1.180 7.678
76 HA THR 10 HA THR 10 -0.987 1.168 9.240
77 HB THR 10 HB THR 10 -0.281 1.913 6.848
78 HG1 THR 10 1HG THR 10 0.129 -0.343 5.703
79 HG21 THR 10 3HG2 THR 10 1.791 0.570 7.010
80 HG22 THR 10 1HG2 THR 10 0.988 -0.475 8.181
81 HG23 THR 10 2HG2 THR 10 1.308 1.214 8.583
82 H TRP 11 H TRP 11 -2.632 0.495 6.264
83 HA TRP 11 HA TRP 11 -4.437 2.617 6.165
84 HB2 TRP 11 2HB TRP 11 -4.434 1.490 4.155
85 HB3 TRP 11 1HB TRP 11 -4.228 -0.080 4.918
86 HD1 TRP 11 HD TRP 11 -7.102 2.487 4.225
87 HE1 TRP 11 1HE TRP 11 -9.316 1.122 4.178
88 HE3 TRP 11 3HE TRP 11 -5.256 -2.137 5.342
89 HZ2 TRP 11 2HZ TRP 11 -10.114 -1.561 4.541
90 HZ3 TRP 11 3HZ TRP 11 -6.793 -4.047 5.451
91 HH2 TRP 11 HH TRP 11 -9.174 -3.759 5.055
92 H SER 12 H SER 12 -6.548 2.896 6.928
93 HA SER 12 HA SER 12 -7.714 0.843 8.567
94 HB2 SER 12 2HB SER 12 -6.313 2.278 10.087
95 HB3 SER 12 1HB SER 12 -7.259 3.669 9.571
96 HG SER 12 HG SER 12 -7.814 1.782 11.401
97 H GLY 13 H GLY 13 -9.715 0.677 7.720
98 HA2 GLY 13 2HA GLY 13 -11.888 1.756 7.798
99 HA3 GLY 13 1HA GLY 13 -11.125 3.193 7.137
100 H VAL 14 H VAL 14 -12.001 3.493 5.249
101 HA VAL 14 HA VAL 14 -12.211 1.252 3.386
102 HB VAL 14 HB VAL 14 -14.416 1.890 4.409
103 HG11 VAL 14 1HG1 VAL 14 -15.524 3.961 3.705
104 HG12 VAL 14 2HG1 VAL 14 -13.975 4.523 3.070
105 HG13 VAL 14 3HG1 VAL 14 -14.159 4.182 4.790
106 HG21 VAL 14 3HG2 VAL 14 -14.267 2.396 1.434
107 HG22 VAL 14 1HG2 VAL 14 -15.726 1.989 2.332
108 HG23 VAL 14 2HG2 VAL 14 -14.413 0.819 2.209
109 H CYS 15 H CYS 15 -12.477 2.245 1.030
110 HA CYS 15 HA CYS 15 -10.206 3.767 0.501
111 HB2 CYS 15 2HB CYS 15 -11.255 2.266 -1.148
112 HB3 CYS 15 1HB CYS 15 -12.635 3.354 -1.251
113 H GLY 16 H GLY 16 -9.974 5.751 1.237
114 HA2 GLY 16 2HA GLY 16 -12.105 7.694 0.685
115 HA3 GLY 16 1HA GLY 16 -10.936 7.848 1.999
116 H ASN 17 H ASN 17 -8.818 8.368 1.544
117 HA ASN 17 HA ASN 17 -8.448 9.753 -0.987
118 HB2 ASN 17 2HB ASN 17 -6.944 9.863 1.623
119 HB3 ASN 17 1HB ASN 17 -6.373 10.668 0.170
120 HD21 ASN 17 1HD2 ASN 17 -7.072 11.823 2.698
121 HD22 ASN 17 2HD2 ASN 17 -8.352 12.937 2.387
122 H ASN 18 H ASN 18 -7.702 8.560 -2.505
123 HA ASN 18 HA ASN 18 -6.422 6.067 -2.340
124 HB2 ASN 18 2HB ASN 18 -6.393 8.057 -4.618
125 HB3 ASN 18 1HB ASN 18 -5.971 6.358 -4.743
126 HD21 ASN 18 1HD2 ASN 18 -7.580 4.868 -4.883
127 HD22 ASN 18 2HD2 ASN 18 -9.246 5.261 -4.996
128 H ASN 19 H ASN 19 -5.081 9.194 -3.242
129 HA ASN 19 HA ASN 19 -2.437 8.169 -3.512
130 HB2 ASN 19 2HB ASN 19 -3.419 11.029 -3.433
131 HB3 ASN 19 1HB ASN 19 -1.772 10.546 -3.814
132 HD21 ASN 19 1HD2 ASN 19 -3.837 11.926 -5.401
133 HD22 ASN 19 2HD2 ASN 19 -3.988 11.012 -6.839
134 H ALA 20 H ALA 20 -4.246 9.672 -1.013
135 HA ALA 20 HA ALA 20 -2.003 10.301 0.616
136 HB1 ALA 20 1HB ALA 20 -4.848 9.950 1.489
137 HB2 ALA 20 2HB ALA 20 -4.173 11.438 0.829
138 HB3 ALA 20 3HB ALA 20 -3.566 10.793 2.357
139 H CYS 21 H CYS 21 -4.279 7.526 0.518
140 HA CYS 21 HA CYS 21 -3.005 6.352 2.761
141 HB2 CYS 21 2HB CYS 21 -4.290 4.314 2.260
142 HB3 CYS 21 1HB CYS 21 -5.320 5.736 2.210
143 H LYS 22 H LYS 22 -2.543 6.161 -0.695
144 HA LYS 22 HA LYS 22 -0.593 4.212 -0.912
145 HB2 LYS 22 2HB LYS 22 -1.524 5.442 -2.823
146 HB3 LYS 22 1HB LYS 22 -0.753 6.914 -2.260
147 HG2 LYS 22 2HG LYS 22 1.431 6.017 -2.744
148 HG3 LYS 22 1HG LYS 22 0.738 4.446 -3.145
149 HD2 LYS 22 2HD LYS 22 1.252 5.630 -5.186
150 HD3 LYS 22 1HD LYS 22 -0.495 5.512 -5.012
151 HE2 LYS 22 2HE LYS 22 0.041 7.721 -5.775
152 HE3 LYS 22 1HE LYS 22 -0.495 7.843 -4.108
153 HZ1 LYS 22 3HZ LYS 22 1.866 7.978 -3.431
154 HZ2 LYS 22 1HZ LYS 22 1.437 9.204 -4.499
155 HZ3 LYS 22 2HZ LYS 22 2.322 7.887 -5.042
156 H ASN 23 H ASN 23 -0.131 7.704 -0.335
157 HA ASN 23 HA ASN 23 2.592 7.756 0.133
158 HB2 ASN 23 2HB ASN 23 1.142 9.671 -0.380
159 HB3 ASN 23 1HB ASN 23 0.343 9.479 1.171
160 HD21 ASN 23 1HD2 ASN 23 0.852 11.503 1.829
161 HD22 ASN 23 2HD2 ASN 23 2.470 11.943 2.235
162 H GLN 24 H GLN 24 -0.155 7.228 2.246
163 HA GLN 24 HA GLN 24 1.172 7.301 4.692
164 HB2 GLN 24 2HB GLN 24 -1.310 7.395 4.314
165 HB3 GLN 24 1HB GLN 24 -1.262 5.666 4.009
166 HG2 GLN 24 2HG GLN 24 -0.318 5.348 6.266
167 HG3 GLN 24 1HG GLN 24 -0.552 7.071 6.560
168 HE21 GLN 24 1HE2 GLN 24 -2.048 4.022 6.163
169 HE22 GLN 24 2HE2 GLN 24 -3.612 4.494 6.733
170 H CYS 25 H CYS 25 0.506 4.578 2.447
171 HA CYS 25 HA CYS 25 1.516 2.561 4.163
172 HB2 CYS 25 2HB CYS 25 1.345 2.676 1.130
173 HB3 CYS 25 1HB CYS 25 1.822 1.227 2.016
174 H ILE 26 H ILE 26 2.926 4.457 1.591
175 HA ILE 26 HA ILE 26 5.497 3.367 1.503
176 HB ILE 26 HB ILE 26 4.523 6.146 0.779
177 HG12 ILE 26 2HG1 ILE 26 5.015 3.806 -1.047
178 HG13 ILE 26 1HG1 ILE 26 3.456 4.085 -0.281
179 HG21 ILE 26 1HG2 ILE 26 6.489 6.256 -0.696
180 HG22 ILE 26 2HG2 ILE 26 7.041 4.699 -0.080
181 HG23 ILE 26 3HG2 ILE 26 6.974 6.096 0.993
182 HD11 ILE 26 3HD1 ILE 26 3.541 4.932 -2.546
183 HD12 ILE 26 1HD1 ILE 26 4.861 6.030 -2.092
184 HD13 ILE 26 2HD1 ILE 26 3.254 6.177 -1.336
185 H ARG 27 H ARG 27 4.138 5.887 3.546
186 HA ARG 27 HA ARG 27 6.772 6.245 4.711
187 HB2 ARG 27 2HB ARG 27 4.273 7.841 5.003
188 HB3 ARG 27 1HB ARG 27 5.702 8.142 5.988
189 HG2 ARG 27 2HG ARG 27 5.542 8.316 2.969
190 HG3 ARG 27 1HG ARG 27 5.548 9.683 4.076
191 HD2 ARG 27 2HD ARG 27 7.764 9.490 3.187
192 HD3 ARG 27 1HD ARG 27 7.832 8.921 4.849
193 HE ARG 27 HE ARG 27 7.421 6.714 3.163
194 HH11 ARG 27 1HH1 ARG 27 10.007 9.008 3.928
195 HH12 ARG 27 2HH1 ARG 27 11.257 7.978 3.453
196 HH21 ARG 27 1HH2 ARG 27 9.137 5.278 2.529
197 HH22 ARG 27 2HH2 ARG 27 10.748 5.794 2.608
198 H LEU 28 H LEU 28 4.155 4.282 5.397
199 HA LEU 28 HA LEU 28 4.883 4.341 8.242
200 HB2 LEU 28 2HB LEU 28 2.507 2.955 6.965
201 HB3 LEU 28 1HB LEU 28 2.904 2.898 8.661
202 HG LEU 28 HG LEU 28 1.895 5.242 7.072
203 HD11 LEU 28 1HD1 LEU 28 0.097 5.212 8.701
204 HD12 LEU 28 2HD1 LEU 28 0.811 3.786 9.456
205 HD13 LEU 28 3HD1 LEU 28 0.215 3.705 7.797
206 HD21 LEU 28 3HD2 LEU 28 3.630 6.109 8.527
207 HD22 LEU 28 1HD2 LEU 28 2.944 5.233 9.898
208 HD23 LEU 28 2HD2 LEU 28 2.042 6.552 9.154
209 H GLU 29 H GLU 29 4.105 1.868 5.811
210 HA GLU 29 HA GLU 29 5.943 0.128 7.254
211 HB2 GLU 29 2HB GLU 29 4.929 -1.720 6.025
212 HB3 GLU 29 1HB GLU 29 3.733 -0.788 6.908
213 HG2 GLU 29 2HG GLU 29 3.198 0.387 4.781
214 HG3 GLU 29 1HG GLU 29 4.256 -0.757 3.952
215 H LYS 30 H LYS 30 5.854 2.185 4.762
216 HA LYS 30 HA LYS 30 7.362 2.824 3.254
217 HB2 LYS 30 2HB LYS 30 9.089 0.712 4.536
218 HB3 LYS 30 1HB LYS 30 9.671 1.811 3.293
219 HG2 LYS 30 2HG LYS 30 9.167 3.723 4.721
220 HG3 LYS 30 1HG LYS 30 8.543 2.638 5.959
221 HD2 LYS 30 2HD LYS 30 11.385 2.619 4.936
222 HD3 LYS 30 1HD LYS 30 10.848 3.456 6.392
223 HE2 LYS 30 2HE LYS 30 10.122 1.318 7.340
224 HE3 LYS 30 1HE LYS 30 10.693 0.477 5.899
225 HZ1 LYS 30 3HZ LYS 30 12.360 2.052 7.775
226 HZ2 LYS 30 1HZ LYS 30 12.937 1.248 6.412
227 HZ3 LYS 30 2HZ LYS 30 12.291 0.384 7.713
228 H ALA 31 H ALA 31 5.429 1.531 2.352
229 HA ALA 31 HA ALA 31 6.128 -0.634 0.624
230 HB1 ALA 31 1HB ALA 31 3.853 -0.355 -0.243
231 HB2 ALA 31 2HB ALA 31 3.691 1.147 0.664
232 HB3 ALA 31 3HB ALA 31 3.862 -0.386 1.521
233 H ARG 32 H ARG 32 5.340 -0.227 -1.774
234 HA ARG 32 HA ARG 32 7.006 1.953 -2.797
235 HB2 ARG 32 2HB ARG 32 7.548 -0.266 -3.601
236 HB3 ARG 32 1HB ARG 32 5.886 -0.544 -4.088
237 HG2 ARG 32 2HG ARG 32 7.222 -0.121 -6.033
238 HG3 ARG 32 1HG ARG 32 6.135 1.241 -5.786
239 HD2 ARG 32 2HD ARG 32 7.976 2.514 -4.773
240 HD3 ARG 32 1HD ARG 32 9.053 1.136 -5.019
241 HE ARG 32 HE ARG 32 7.752 2.042 -7.406
242 HH11 ARG 32 1HH1 ARG 32 10.630 2.505 -5.372
243 HH12 ARG 32 2HH1 ARG 32 11.545 3.216 -6.622
244 HH21 ARG 32 1HH2 ARG 32 9.039 2.977 -9.082
245 HH22 ARG 32 2HH2 ARG 32 10.632 3.498 -8.766
246 H HIS 33 H HIS 33 3.756 0.666 -2.752
247 HA HIS 33 HA HIS 33 2.705 3.102 -3.849
248 HB2 HIS 33 2HB HIS 33 3.228 1.803 -5.880
249 HB3 HIS 33 1HB HIS 33 2.415 0.396 -5.245
250 HD1 HIS 33 1HD HIS 33 1.676 3.818 -6.753
251 HD2 HIS 33 2HD HIS 33 -0.264 0.266 -5.778
252 HE1 HIS 33 1HE HIS 33 -0.627 3.986 -7.746
253 H GLY 34 H GLY 34 0.151 2.735 -3.837
254 HA2 GLY 34 2HA GLY 34 -0.911 0.736 -2.161
255 HA3 GLY 34 1HA GLY 34 -0.780 2.286 -1.338
256 H SER 35 H SER 35 -3.144 0.769 -2.526
257 HA SER 35 HA SER 35 -4.477 3.071 -3.399
258 HB2 SER 35 2HB SER 35 -4.996 2.193 -5.775
259 HB3 SER 35 1HB SER 35 -3.442 2.978 -5.504
260 HG SER 35 HG SER 35 -2.474 1.235 -5.871
261 H CYS 36 H CYS 36 -6.655 2.530 -4.368
262 HA CYS 36 HA CYS 36 -7.830 0.662 -2.558
263 HB2 CYS 36 2HB CYS 36 -9.097 2.469 -4.614
264 HB3 CYS 36 1HB CYS 36 -9.955 1.534 -3.396
265 H ASN 37 H ASN 37 -8.091 -1.299 -2.979
266 HA ASN 37 HA ASN 37 -8.619 -2.215 -5.709
267 HB2 ASN 37 2HB ASN 37 -6.301 -2.802 -5.078
268 HB3 ASN 37 1HB ASN 37 -6.874 -3.511 -3.579
269 HD21 ASN 37 1HD2 ASN 37 -6.594 -3.932 -7.035
270 HD22 ASN 37 2HD2 ASN 37 -6.981 -5.611 -7.038
271 H TYR 38 H TYR 38 -10.232 -3.801 -5.787
272 HA TYR 38 HA TYR 38 -11.997 -3.711 -3.542
273 HB2 TYR 38 2HB TYR 38 -12.896 -3.697 -5.840
274 HB3 TYR 38 1HB TYR 38 -12.290 -5.335 -6.076
275 HD1 TYR 38 1HD TYR 38 -14.824 -3.272 -4.408
276 HD2 TYR 38 2HD TYR 38 -13.417 -7.240 -5.012
277 HE1 TYR 38 1HE TYR 38 -16.913 -4.156 -3.475
278 HE2 TYR 38 2HE TYR 38 -15.500 -8.130 -4.109
279 HH TYR 38 HH TYR 38 -18.234 -6.219 -3.589
280 H VAL 39 H VAL 39 -11.971 -4.920 -1.902
281 HA VAL 39 HA VAL 39 -11.282 -7.723 -2.122
282 HB VAL 39 HB VAL 39 -10.239 -7.588 0.140
283 HG11 VAL 39 1HG1 VAL 39 -8.895 -5.794 -1.880
284 HG12 VAL 39 2HG1 VAL 39 -8.741 -7.548 -1.766
285 HG13 VAL 39 3HG1 VAL 39 -8.106 -6.522 -0.482
286 HG21 VAL 39 3HG2 VAL 39 -11.332 -5.579 0.967
287 HG22 VAL 39 1HG2 VAL 39 -10.455 -4.598 -0.208
288 HG23 VAL 39 2HG2 VAL 39 -9.580 -5.415 1.089
289 H PHE 40 H PHE 40 -12.125 -8.599 0.179
290 HA PHE 40 HA PHE 40 -14.850 -7.830 0.346
291 HB2 PHE 40 2HB PHE 40 -14.089 -10.156 0.830
292 HB3 PHE 40 1HB PHE 40 -13.240 -9.562 2.252
293 HD1 PHE 40 2HD PHE 40 -16.528 -10.222 0.772
294 HD2 PHE 40 1HD PHE 40 -14.430 -9.082 4.297
295 HE1 PHE 40 2HE PHE 40 -18.565 -10.561 2.090
296 HE2 PHE 40 1HE PHE 40 -16.473 -9.420 5.623
297 HZ PHE 40 HZ PHE 40 -18.546 -10.160 4.519
298 HA PRO 41 HA PRO 41 -16.389 -7.146 1.152
299 HB2 PRO 41 2HB PRO 41 -18.090 -5.565 2.430
300 HB3 PRO 41 1HB PRO 41 -17.400 -6.990 3.214
301 HG2 PRO 41 2HG PRO 41 -16.845 -4.133 3.713
302 HG3 PRO 41 1HG PRO 41 -16.596 -5.526 4.774
303 HD2 PRO 41 2HD PRO 41 -14.677 -4.175 3.065
304 HD3 PRO 41 1HD PRO 41 -14.395 -5.467 4.252
305 H ALA 42 H ALA 42 -14.492 -4.514 0.685
306 HA ALA 42 HA ALA 42 -16.026 -3.399 -1.434
307 HB1 ALA 42 1HB ALA 42 -16.218 -1.114 -0.525
308 HB2 ALA 42 2HB ALA 42 -15.593 -1.678 1.024
309 HB3 ALA 42 3HB ALA 42 -17.152 -2.261 0.438
310 H HIS 43 H HIS 43 -14.752 -1.152 -2.029
311 HA HIS 43 HA HIS 43 -12.078 -1.948 -2.535
312 HB2 HIS 43 2HB HIS 43 -13.451 0.721 -2.891
313 HB3 HIS 43 1HB HIS 43 -11.768 0.446 -3.296
314 HD1 HIS 43 1HD HIS 43 -15.219 -0.191 -4.533
315 HD2 HIS 43 2HD HIS 43 -11.310 -1.152 -5.523
316 HE1 HIS 43 1HE HIS 43 -15.293 -1.076 -6.896
317 H LYS 44 H LYS 44 -10.501 -1.947 -1.230
318 HA LYS 44 HA LYS 44 -10.446 0.054 0.900
319 HB2 LYS 44 2HB LYS 44 -9.468 -2.801 0.996
320 HB3 LYS 44 1HB LYS 44 -9.230 -1.610 2.261
321 HG2 LYS 44 2HG LYS 44 -11.840 -2.832 1.366
322 HG3 LYS 44 1HG LYS 44 -11.017 -3.043 2.912
323 HD2 LYS 44 2HD LYS 44 -11.295 -0.554 3.258
324 HD3 LYS 44 1HD LYS 44 -12.344 -0.562 1.845
325 HE2 LYS 44 2HE LYS 44 -13.746 -0.691 3.759
326 HE3 LYS 44 1HE LYS 44 -13.747 -2.284 3.007
327 HZ1 LYS 44 3HZ LYS 44 -13.527 -2.426 5.407
328 HZ2 LYS 44 1HZ LYS 44 -12.149 -1.482 5.387
329 HZ3 LYS 44 2HZ LYS 44 -12.141 -3.023 4.693
330 H CYS 45 H CYS 45 -8.150 0.448 1.632
331 HA CYS 45 HA CYS 45 -6.608 0.689 -0.808
332 HB2 CYS 45 2HB CYS 45 -7.033 2.707 0.651
333 HB3 CYS 45 1HB CYS 45 -6.033 1.939 1.880
334 H ILE 46 H ILE 46 -5.226 -0.772 -1.191
335 HA ILE 46 HA ILE 46 -4.171 -2.375 1.021
336 HB ILE 46 HB ILE 46 -4.284 -3.058 -1.946
337 HG12 ILE 46 2HG1 ILE 46 -6.573 -2.904 -1.097
338 HG13 ILE 46 1HG1 ILE 46 -6.127 -4.577 -1.422
339 HG21 ILE 46 1HG2 ILE 46 -2.566 -4.290 -0.810
340 HG22 ILE 46 2HG2 ILE 46 -3.937 -5.381 -1.114
341 HG23 ILE 46 3HG2 ILE 46 -3.680 -4.706 0.486
342 HD11 ILE 46 3HD1 ILE 46 -5.796 -4.955 0.974
343 HD12 ILE 46 1HD1 ILE 46 -7.429 -4.384 0.630
344 HD13 ILE 46 2HD1 ILE 46 -6.231 -3.278 1.301
345 H CYS 47 H CYS 47 -1.869 -2.604 1.123
346 HA CYS 47 HA CYS 47 -0.524 -0.402 -0.237
347 HB2 CYS 47 2HB CYS 47 0.483 -2.270 1.934
348 HB3 CYS 47 1HB CYS 47 1.300 -0.824 1.352
349 H TYR 48 H TYR 48 1.301 -0.721 -1.541
350 HA TYR 48 HA TYR 48 1.517 -3.464 -2.559
351 HB2 TYR 48 2HB TYR 48 1.427 -0.862 -4.040
352 HB3 TYR 48 1HB TYR 48 2.080 -2.325 -4.764
353 HD1 TYR 48 2HD TYR 48 -1.008 -0.742 -3.412
354 HD2 TYR 48 1HD TYR 48 0.590 -3.969 -5.681
355 HE1 TYR 48 2HE TYR 48 -3.255 -1.311 -4.186
356 HE2 TYR 48 1HE TYR 48 -1.637 -4.536 -6.469
357 HH TYR 48 HH TYR 48 -3.973 -4.225 -5.821
358 H PHE 49 H PHE 49 3.478 -4.249 -2.865
359 HA PHE 49 HA PHE 49 5.795 -2.516 -2.401
360 HB2 PHE 49 2HB PHE 49 5.248 -5.384 -1.610
361 HB3 PHE 49 1HB PHE 49 6.873 -4.725 -1.624
362 HD1 PHE 49 1HD PHE 49 3.551 -4.507 -0.017
363 HD2 PHE 49 2HD PHE 49 7.624 -3.322 0.092
364 HE1 PHE 49 1HE PHE 49 3.250 -3.650 2.269
365 HE2 PHE 49 2HE PHE 49 7.327 -2.469 2.378
366 HZ PHE 49 HZ PHE 49 5.120 -2.641 3.462
367 HA PRO 50 HA PRO 50 7.122 -4.153 -6.329
368 HB2 PRO 50 2HB PRO 50 9.821 -3.970 -6.178
369 HB3 PRO 50 1HB PRO 50 8.777 -2.552 -6.299
370 HG2 PRO 50 2HG PRO 50 10.263 -3.596 -3.969
371 HG3 PRO 50 1HG PRO 50 9.741 -1.943 -4.321
372 HD2 PRO 50 2HD PRO 50 8.475 -3.816 -2.572
373 HD3 PRO 50 1HD PRO 50 7.881 -2.221 -3.051
374 H CYS 51 H CYS 51 6.712 -6.244 -6.634
375 HA CYS 51 HA CYS 51 8.646 -8.207 -5.602
376 HB2 CYS 51 2HB CYS 51 5.655 -8.492 -5.858
377 HB3 CYS 51 1HB CYS 51 6.734 -9.837 -5.535
Start of MODEL 5
1 H1 GLN 1 1HT GLN 1 9.422 -6.472 -12.511
2 H2 GLN 1 2HT GLN 1 10.817 -5.746 -11.882
3 H3 GLN 1 3HT GLN 1 9.354 -4.892 -11.995
4 HA GLN 1 HA GLN 1 9.728 -7.274 -10.332
5 HB2 GLN 1 2HB GLN 1 9.561 -4.350 -9.601
6 HB3 GLN 1 1HB GLN 1 9.405 -5.663 -8.447
7 HG2 GLN 1 2HG GLN 1 11.676 -6.403 -9.027
8 HG3 GLN 1 1HG GLN 1 11.823 -5.015 -10.107
9 HE21 GLN 1 1HE2 GLN 1 11.533 -6.053 -6.831
10 HE22 GLN 1 2HE2 GLN 1 12.109 -4.606 -6.093
11 H LYS 2 H LYS 2 7.895 -7.484 -8.835
12 HA LYS 2 HA LYS 2 5.399 -6.652 -10.161
13 HB2 LYS 2 2HB LYS 2 5.976 -9.092 -8.466
14 HB3 LYS 2 1HB LYS 2 4.393 -8.652 -9.087
15 HG2 LYS 2 2HG LYS 2 5.178 -8.949 -11.364
16 HG3 LYS 2 1HG LYS 2 6.799 -9.314 -10.771
17 HD2 LYS 2 2HD LYS 2 5.940 -11.272 -9.602
18 HD3 LYS 2 1HD LYS 2 4.309 -10.897 -10.163
19 HE2 LYS 2 2HE LYS 2 4.985 -11.228 -12.455
20 HE3 LYS 2 1HE LYS 2 6.657 -11.466 -11.955
21 HZ1 LYS 2 3HZ LYS 2 5.980 -13.443 -10.765
22 HZ2 LYS 2 1HZ LYS 2 5.544 -13.574 -12.381
23 HZ3 LYS 2 2HZ LYS 2 4.381 -13.221 -11.222
24 H LEU 3 H LEU 3 3.702 -6.013 -8.759
25 HA LEU 3 HA LEU 3 4.731 -5.036 -6.227
26 HB2 LEU 3 2HB LEU 3 2.214 -4.368 -7.707
27 HB3 LEU 3 1HB LEU 3 2.654 -3.695 -6.164
28 HG LEU 3 HG LEU 3 4.137 -3.258 -8.762
29 HD11 LEU 3 1HD1 LEU 3 2.009 -2.085 -8.630
30 HD12 LEU 3 2HD1 LEU 3 3.367 -0.962 -8.554
31 HD13 LEU 3 3HD1 LEU 3 2.485 -1.382 -7.085
32 HD21 LEU 3 3HD2 LEU 3 5.471 -1.629 -7.483
33 HD22 LEU 3 1HD2 LEU 3 5.691 -3.273 -6.883
34 HD23 LEU 3 2HD2 LEU 3 4.663 -2.144 -6.003
35 H CYS 4 H CYS 4 4.524 -6.330 -4.683
36 HA CYS 4 HA CYS 4 2.433 -8.319 -4.501
37 HB2 CYS 4 2HB CYS 4 4.643 -7.582 -2.559
38 HB3 CYS 4 1HB CYS 4 3.596 -8.992 -2.435
39 H GLN 5 H GLN 5 0.634 -8.090 -3.336
40 HA GLN 5 HA GLN 5 0.177 -5.484 -2.200
41 HB2 GLN 5 2HB GLN 5 -2.170 -6.203 -2.011
42 HB3 GLN 5 1HB GLN 5 -1.546 -6.299 -3.645
43 HG2 GLN 5 2HG GLN 5 -1.361 -8.680 -3.481
44 HG3 GLN 5 1HG GLN 5 -1.802 -8.636 -1.776
45 HE21 GLN 5 1HE2 GLN 5 -3.401 -6.584 -4.108
46 HE22 GLN 5 2HE2 GLN 5 -4.880 -7.450 -4.125
47 H ARG 6 H ARG 6 -0.292 -5.051 -0.144
48 HA ARG 6 HA ARG 6 -0.284 -7.186 1.826
49 HB2 ARG 6 2HB ARG 6 2.075 -6.319 1.372
50 HB3 ARG 6 1HB ARG 6 1.530 -4.783 2.009
51 HG2 ARG 6 2HG ARG 6 1.147 -5.740 4.167
52 HG3 ARG 6 1HG ARG 6 1.460 -7.356 3.540
53 HD2 ARG 6 2HD ARG 6 3.469 -5.107 3.604
54 HD3 ARG 6 1HD ARG 6 3.414 -6.454 4.740
55 HE ARG 6 HE ARG 6 3.506 -7.513 2.176
56 HH11 ARG 6 1HH1 ARG 6 5.633 -5.580 4.245
57 HH12 ARG 6 2HH1 ARG 6 7.067 -6.249 3.594
58 HH21 ARG 6 1HH2 ARG 6 5.473 -8.419 1.312
59 HH22 ARG 6 2HH2 ARG 6 6.979 -7.875 1.918
60 HA PRO 7 HA PRO 7 -3.501 -4.179 2.727
61 HB2 PRO 7 2HB PRO 7 -5.016 -5.769 4.294
62 HB3 PRO 7 1HB PRO 7 -4.991 -5.895 2.534
63 HG2 PRO 7 2HG PRO 7 -3.648 -7.597 4.578
64 HG3 PRO 7 1HG PRO 7 -4.380 -8.064 3.037
65 HD2 PRO 7 2HD PRO 7 -1.667 -7.744 3.451
66 HD3 PRO 7 1HD PRO 7 -2.464 -7.649 1.874
67 H SER 8 H SER 8 -2.383 -6.168 5.532
68 HA SER 8 HA SER 8 -3.064 -3.861 7.176
69 HB2 SER 8 2HB SER 8 -2.586 -6.716 8.022
70 HB3 SER 8 1HB SER 8 -3.190 -5.397 9.031
71 HG SER 8 HG SER 8 -4.735 -5.358 6.991
72 H GLY 9 H GLY 9 -1.578 -2.558 7.470
73 HA2 GLY 9 2HA GLY 9 0.775 -3.281 8.956
74 HA3 GLY 9 1HA GLY 9 1.098 -2.600 7.353
75 H THR 10 H THR 10 0.035 -0.635 6.829
76 HA THR 10 HA THR 10 -0.434 1.006 9.200
77 HB THR 10 HB THR 10 1.210 2.026 7.733
78 HG1 THR 10 1HG THR 10 -0.101 3.499 8.722
79 HG21 THR 10 3HG2 THR 10 0.577 2.819 5.486
80 HG22 THR 10 1HG2 THR 10 -0.911 1.883 5.590
81 HG23 THR 10 2HG2 THR 10 0.652 1.051 5.596
82 H TRP 11 H TRP 11 -1.921 0.020 6.168
83 HA TRP 11 HA TRP 11 -4.321 1.404 6.714
84 HB2 TRP 11 2HB TRP 11 -3.950 0.810 4.397
85 HB3 TRP 11 1HB TRP 11 -3.832 -0.902 4.805
86 HD1 TRP 11 HD TRP 11 -6.498 1.918 4.594
87 HE1 TRP 11 1HE TRP 11 -8.818 0.831 4.423
88 HE3 TRP 11 3HE TRP 11 -5.141 -2.960 5.144
89 HZ2 TRP 11 2HZ TRP 11 -9.922 -1.765 4.492
90 HZ3 TRP 11 3HZ TRP 11 -6.896 -4.699 5.072
91 HH2 TRP 11 HH TRP 11 -9.220 -4.109 4.752
92 H SER 12 H SER 12 -5.764 1.016 8.059
93 HA SER 12 HA SER 12 -6.888 -1.513 8.536
94 HB2 SER 12 2HB SER 12 -5.493 -0.074 10.838
95 HB3 SER 12 1HB SER 12 -6.636 -1.399 11.050
96 HG SER 12 HG SER 12 -4.584 -1.852 9.280
97 H GLY 13 H GLY 13 -8.784 -0.661 7.846
98 HA2 GLY 13 2HA GLY 13 -10.589 0.596 9.279
99 HA3 GLY 13 1HA GLY 13 -9.581 1.955 8.794
100 H VAL 14 H VAL 14 -10.628 3.007 7.254
101 HA VAL 14 HA VAL 14 -11.875 1.452 5.109
102 HB VAL 14 HB VAL 14 -13.421 3.370 4.800
103 HG11 VAL 14 1HG1 VAL 14 -14.166 1.438 6.074
104 HG12 VAL 14 2HG1 VAL 14 -14.851 2.912 6.761
105 HG13 VAL 14 3HG1 VAL 14 -13.485 2.123 7.547
106 HG21 VAL 14 3HG2 VAL 14 -13.662 5.047 6.594
107 HG22 VAL 14 1HG2 VAL 14 -12.086 5.141 5.809
108 HG23 VAL 14 2HG2 VAL 14 -12.239 4.380 7.392
109 H CYS 15 H CYS 15 -12.024 2.707 3.042
110 HA CYS 15 HA CYS 15 -9.454 3.972 2.536
111 HB2 CYS 15 2HB CYS 15 -9.906 2.238 0.977
112 HB3 CYS 15 1HB CYS 15 -11.553 2.800 0.714
113 H GLY 16 H GLY 16 -9.480 6.062 2.964
114 HA2 GLY 16 2HA GLY 16 -11.786 7.701 2.433
115 HA3 GLY 16 1HA GLY 16 -10.214 8.246 3.020
116 H ASN 17 H ASN 17 -8.423 7.973 1.373
117 HA ASN 17 HA ASN 17 -9.389 8.637 -1.316
118 HB2 ASN 17 2HB ASN 17 -7.095 10.000 0.119
119 HB3 ASN 17 1HB ASN 17 -7.606 10.309 -1.533
120 HD21 ASN 17 1HD2 ASN 17 -8.225 10.832 1.817
121 HD22 ASN 17 2HD2 ASN 17 -9.423 12.050 1.610
122 H ASN 18 H ASN 18 -8.304 7.623 -2.877
123 HA ASN 18 HA ASN 18 -6.804 5.326 -2.180
124 HB2 ASN 18 2HB ASN 18 -7.183 6.595 -4.918
125 HB3 ASN 18 1HB ASN 18 -6.584 4.977 -4.605
126 HD21 ASN 18 1HD2 ASN 18 -8.199 4.040 -5.822
127 HD22 ASN 18 2HD2 ASN 18 -9.838 3.942 -5.296
128 H ASN 19 H ASN 19 -5.992 8.364 -3.734
129 HA ASN 19 HA ASN 19 -3.232 7.714 -4.013
130 HB2 ASN 19 2HB ASN 19 -4.713 10.318 -4.316
131 HB3 ASN 19 1HB ASN 19 -2.979 10.181 -4.567
132 HD21 ASN 19 1HD2 ASN 19 -5.117 10.891 -6.434
133 HD22 ASN 19 2HD2 ASN 19 -4.979 9.785 -7.753
134 H ALA 20 H ALA 20 -5.066 8.810 -1.413
135 HA ALA 20 HA ALA 20 -2.794 10.043 -0.090
136 HB1 ALA 20 1HB ALA 20 -4.266 10.645 1.690
137 HB2 ALA 20 2HB ALA 20 -5.495 9.547 1.103
138 HB3 ALA 20 3HB ALA 20 -5.106 11.007 0.174
139 H CYS 21 H CYS 21 -4.763 7.107 0.139
140 HA CYS 21 HA CYS 21 -3.358 6.238 2.444
141 HB2 CYS 21 2HB CYS 21 -4.485 4.111 2.156
142 HB3 CYS 21 1HB CYS 21 -5.633 5.413 1.878
143 H LYS 22 H LYS 22 -2.966 5.847 -1.018
144 HA LYS 22 HA LYS 22 -0.864 4.085 -1.267
145 HB2 LYS 22 2HB LYS 22 -1.973 5.329 -3.090
146 HB3 LYS 22 1HB LYS 22 -1.173 6.801 -2.571
147 HG2 LYS 22 2HG LYS 22 1.011 5.719 -3.071
148 HG3 LYS 22 1HG LYS 22 0.127 4.332 -3.711
149 HD2 LYS 22 2HD LYS 22 -0.002 7.171 -4.744
150 HD3 LYS 22 1HD LYS 22 0.806 5.814 -5.513
151 HE2 LYS 22 2HE LYS 22 -1.345 4.698 -5.814
152 HE3 LYS 22 1HE LYS 22 -2.160 6.028 -4.996
153 HZ1 LYS 22 3HZ LYS 22 -1.530 7.507 -6.724
154 HZ2 LYS 22 1HZ LYS 22 -2.294 6.178 -7.407
155 HZ3 LYS 22 2HZ LYS 22 -0.604 6.323 -7.505
156 H ASN 23 H ASN 23 -0.746 7.563 -0.654
157 HA ASN 23 HA ASN 23 1.978 7.858 -0.232
158 HB2 ASN 23 2HB ASN 23 0.474 9.687 -0.799
159 HB3 ASN 23 1HB ASN 23 -0.390 9.471 0.716
160 HD21 ASN 23 1HD2 ASN 23 0.471 10.290 2.583
161 HD22 ASN 23 2HD2 ASN 23 1.866 11.296 2.566
162 H GLN 24 H GLN 24 -0.727 7.261 1.935
163 HA GLN 24 HA GLN 24 0.580 7.429 4.391
164 HB2 GLN 24 2HB GLN 24 -1.870 7.308 4.131
165 HB3 GLN 24 1HB GLN 24 -1.714 5.641 3.597
166 HG2 GLN 24 2HG GLN 24 -0.741 5.082 5.807
167 HG3 GLN 24 1HG GLN 24 -1.084 6.731 6.324
168 HE21 GLN 24 1HE2 GLN 24 -2.070 4.221 7.316
169 HE22 GLN 24 2HE2 GLN 24 -3.792 4.272 7.213
170 H CYS 25 H CYS 25 0.285 4.712 2.099
171 HA CYS 25 HA CYS 25 1.468 2.800 3.822
172 HB2 CYS 25 2HB CYS 25 1.348 2.919 0.794
173 HB3 CYS 25 1HB CYS 25 1.935 1.530 1.711
174 H ILE 26 H ILE 26 2.715 4.730 1.198
175 HA ILE 26 HA ILE 26 5.403 3.985 1.317
176 HB ILE 26 HB ILE 26 4.142 6.572 0.360
177 HG12 ILE 26 2HG1 ILE 26 4.949 4.185 -1.284
178 HG13 ILE 26 1HG1 ILE 26 3.355 4.308 -0.557
179 HG21 ILE 26 1HG2 ILE 26 6.829 5.351 -0.326
180 HG22 ILE 26 2HG2 ILE 26 6.583 6.802 0.645
181 HG23 ILE 26 3HG2 ILE 26 6.138 6.797 -1.062
182 HD11 ILE 26 3HD1 ILE 26 4.530 6.293 -2.486
183 HD12 ILE 26 1HD1 ILE 26 2.916 6.294 -1.763
184 HD13 ILE 26 2HD1 ILE 26 3.372 5.004 -2.881
185 H ARG 27 H ARG 27 3.643 6.446 3.109
186 HA ARG 27 HA ARG 27 6.060 7.490 4.270
187 HB2 ARG 27 2HB ARG 27 3.170 8.216 4.633
188 HB3 ARG 27 1HB ARG 27 4.439 8.905 5.631
189 HG2 ARG 27 2HG ARG 27 4.307 9.112 2.627
190 HG3 ARG 27 1HG ARG 27 3.785 10.366 3.753
191 HD2 ARG 27 2HD ARG 27 6.586 9.262 3.459
192 HD3 ARG 27 1HD ARG 27 6.018 10.846 2.953
193 HE ARG 27 HE ARG 27 5.491 11.184 5.394
194 HH11 ARG 27 1HH1 ARG 27 8.200 9.182 4.312
195 HH12 ARG 27 2HH1 ARG 27 9.153 9.456 5.675
196 HH21 ARG 27 1HH2 ARG 27 6.841 11.570 7.307
197 HH22 ARG 27 2HH2 ARG 27 8.369 10.836 7.413
198 H LEU 28 H LEU 28 3.838 5.002 5.142
199 HA LEU 28 HA LEU 28 4.862 5.242 7.864
200 HB2 LEU 28 2HB LEU 28 2.329 4.012 6.814
201 HB3 LEU 28 1HB LEU 28 2.997 3.444 8.312
202 HG LEU 28 HG LEU 28 1.243 5.029 8.718
203 HD11 LEU 28 1HD1 LEU 28 3.922 6.193 9.431
204 HD12 LEU 28 2HD1 LEU 28 3.043 4.949 10.317
205 HD13 LEU 28 3HD1 LEU 28 2.386 6.581 10.204
206 HD21 LEU 28 3HD2 LEU 28 1.430 7.412 8.140
207 HD22 LEU 28 1HD2 LEU 28 1.353 6.393 6.702
208 HD23 LEU 28 2HD2 LEU 28 2.897 7.067 7.224
209 H GLU 29 H GLU 29 3.965 2.611 5.678
210 HA GLU 29 HA GLU 29 6.052 1.115 7.043
211 HB2 GLU 29 2HB GLU 29 5.044 -0.950 6.164
212 HB3 GLU 29 1HB GLU 29 3.944 -0.023 7.161
213 HG2 GLU 29 2HG GLU 29 2.800 0.768 5.176
214 HG3 GLU 29 1HG GLU 29 3.928 -0.127 4.154
215 H LYS 30 H LYS 30 5.701 2.932 4.521
216 HA LYS 30 HA LYS 30 7.035 3.530 2.848
217 HB2 LYS 30 2HB LYS 30 9.039 1.628 4.067
218 HB3 LYS 30 1HB LYS 30 9.388 2.973 2.980
219 HG2 LYS 30 2HG LYS 30 8.620 4.567 4.611
220 HG3 LYS 30 1HG LYS 30 8.094 3.271 5.679
221 HD2 LYS 30 2HD LYS 30 10.491 2.530 5.776
222 HD3 LYS 30 1HD LYS 30 10.905 4.015 4.918
223 HE2 LYS 30 2HE LYS 30 11.169 4.330 7.323
224 HE3 LYS 30 1HE LYS 30 9.869 5.343 6.700
225 HZ1 LYS 30 3HZ LYS 30 8.248 3.710 7.565
226 HZ2 LYS 30 1HZ LYS 30 9.269 4.270 8.778
227 HZ3 LYS 30 2HZ LYS 30 9.525 2.754 8.125
228 H ALA 31 H ALA 31 5.265 2.111 1.925
229 HA ALA 31 HA ALA 31 6.215 -0.183 0.456
230 HB1 ALA 31 1HB ALA 31 3.909 -0.110 1.290
231 HB2 ALA 31 2HB ALA 31 3.944 -0.226 -0.470
232 HB3 ALA 31 3HB ALA 31 3.599 1.320 0.305
233 H ARG 32 H ARG 32 5.412 -0.019 -2.014
234 HA ARG 32 HA ARG 32 6.802 2.339 -3.077
235 HB2 ARG 32 2HB ARG 32 7.687 0.182 -3.767
236 HB3 ARG 32 1HB ARG 32 6.118 -0.302 -4.383
237 HG2 ARG 32 2HG ARG 32 7.592 0.288 -6.217
238 HG3 ARG 32 1HG ARG 32 6.279 1.455 -6.111
239 HD2 ARG 32 2HD ARG 32 9.024 1.911 -4.932
240 HD3 ARG 32 1HD ARG 32 8.562 2.431 -6.550
241 HE ARG 32 HE ARG 32 6.676 3.594 -5.143
242 HH11 ARG 32 1HH1 ARG 32 10.141 3.450 -4.490
243 HH12 ARG 32 2HH1 ARG 32 10.208 4.893 -3.601
244 HH21 ARG 32 1HH2 ARG 32 6.729 5.632 -3.950
245 HH22 ARG 32 2HH2 ARG 32 8.217 6.155 -3.286
246 H HIS 33 H HIS 33 3.806 0.709 -2.900
247 HA HIS 33 HA HIS 33 2.496 2.902 -4.189
248 HB2 HIS 33 2HB HIS 33 3.079 1.439 -6.081
249 HB3 HIS 33 1HB HIS 33 2.347 0.060 -5.296
250 HD1 HIS 33 1HD HIS 33 1.333 3.447 -6.702
251 HD2 HIS 33 2HD HIS 33 -0.229 -0.338 -5.999
252 HE1 HIS 33 1HE HIS 33 -0.988 3.504 -7.594
253 H GLY 34 H GLY 34 0.049 2.459 -4.035
254 HA2 GLY 34 2HA GLY 34 -0.936 0.542 -2.241
255 HA3 GLY 34 1HA GLY 34 -0.841 2.138 -1.499
256 H SER 35 H SER 35 -3.179 0.532 -2.521
257 HA SER 35 HA SER 35 -4.545 2.742 -3.619
258 HB2 SER 35 2HB SER 35 -5.178 1.489 -5.791
259 HB3 SER 35 1HB SER 35 -3.605 2.284 -5.725
260 HG SER 35 HG SER 35 -2.676 0.478 -5.885
261 H CYS 36 H CYS 36 -6.757 2.434 -3.764
262 HA CYS 36 HA CYS 36 -7.712 0.313 -2.079
263 HB2 CYS 36 2HB CYS 36 -9.236 2.571 -3.393
264 HB3 CYS 36 1HB CYS 36 -9.837 1.486 -2.135
265 H ASN 37 H ASN 37 -7.749 -1.501 -2.893
266 HA ASN 37 HA ASN 37 -8.353 -2.061 -5.658
267 HB2 ASN 37 2HB ASN 37 -6.641 -3.334 -4.355
268 HB3 ASN 37 1HB ASN 37 -7.921 -3.935 -3.312
269 HD21 ASN 37 1HD2 ASN 37 -7.589 -6.076 -3.828
270 HD22 ASN 37 2HD2 ASN 37 -7.959 -6.730 -5.371
271 H TYR 38 H TYR 38 -10.224 -3.025 -6.394
272 HA TYR 38 HA TYR 38 -12.546 -2.628 -4.806
273 HB2 TYR 38 2HB TYR 38 -12.596 -2.320 -7.260
274 HB3 TYR 38 1HB TYR 38 -12.301 -4.043 -7.473
275 HD1 TYR 38 2HD TYR 38 -14.757 -1.518 -6.451
276 HD2 TYR 38 1HD TYR 38 -14.081 -5.657 -7.104
277 HE1 TYR 38 2HE TYR 38 -17.173 -1.919 -6.356
278 HE2 TYR 38 1HE TYR 38 -16.477 -6.077 -7.023
279 HH TYR 38 HH TYR 38 -18.459 -5.044 -6.074
280 H VAL 39 H VAL 39 -12.848 -3.885 -3.150
281 HA VAL 39 HA VAL 39 -12.957 -6.732 -3.643
282 HB VAL 39 HB VAL 39 -12.302 -7.124 -1.287
283 HG11 VAL 39 1HG1 VAL 39 -9.906 -6.571 -1.454
284 HG12 VAL 39 2HG1 VAL 39 -10.270 -5.500 -2.806
285 HG13 VAL 39 3HG1 VAL 39 -10.552 -7.232 -2.957
286 HG21 VAL 39 3HG2 VAL 39 -13.013 -5.012 -0.303
287 HG22 VAL 39 1HG2 VAL 39 -11.743 -4.161 -1.180
288 HG23 VAL 39 2HG2 VAL 39 -11.318 -5.328 0.072
289 H PHE 40 H PHE 40 -14.530 -7.713 -2.076
290 HA PHE 40 HA PHE 40 -16.863 -6.047 -2.062
291 HB2 PHE 40 2HB PHE 40 -17.030 -8.438 -2.702
292 HB3 PHE 40 1HB PHE 40 -16.501 -8.904 -1.091
293 HD1 PHE 40 1HD PHE 40 -19.225 -7.245 -2.964
294 HD2 PHE 40 2HD PHE 40 -18.058 -9.130 0.665
295 HE1 PHE 40 1HE PHE 40 -21.574 -7.264 -2.225
296 HE2 PHE 40 2HE PHE 40 -20.404 -9.156 1.410
297 HZ PHE 40 HZ PHE 40 -22.164 -8.220 -0.039
298 HA PRO 41 HA PRO 41 -18.478 -5.426 -1.214
299 HB2 PRO 41 2HB PRO 41 -19.974 -3.913 0.346
300 HB3 PRO 41 1HB PRO 41 -19.895 -5.660 0.604
301 HG2 PRO 41 2HG PRO 41 -18.653 -3.465 2.181
302 HG3 PRO 41 1HG PRO 41 -19.233 -5.047 2.720
303 HD2 PRO 41 2HD PRO 41 -16.544 -4.303 2.091
304 HD3 PRO 41 1HD PRO 41 -17.142 -5.918 2.516
305 H ALA 42 H ALA 42 -15.925 -3.625 -0.093
306 HA ALA 42 HA ALA 42 -16.606 -1.324 -1.708
307 HB1 ALA 42 1HB ALA 42 -16.114 0.278 0.079
308 HB2 ALA 42 2HB ALA 42 -15.920 -1.048 1.223
309 HB3 ALA 42 3HB ALA 42 -17.497 -0.730 0.503
310 H HIS 43 H HIS 43 -14.750 -0.031 -2.165
311 HA HIS 43 HA HIS 43 -12.366 -1.457 -2.629
312 HB2 HIS 43 2HB HIS 43 -12.870 1.530 -2.576
313 HB3 HIS 43 1HB HIS 43 -11.385 0.784 -3.137
314 HD1 HIS 43 1HD HIS 43 -14.878 1.568 -4.205
315 HD2 HIS 43 2HD HIS 43 -11.544 -0.464 -5.608
316 HE1 HIS 43 1HE HIS 43 -15.253 1.249 -6.663
317 H LYS 44 H LYS 44 -10.754 -1.927 -1.262
318 HA LYS 44 HA LYS 44 -10.389 -0.197 1.085
319 HB2 LYS 44 2HB LYS 44 -9.877 -3.177 0.898
320 HB3 LYS 44 1HB LYS 44 -9.495 -2.141 2.277
321 HG2 LYS 44 2HG LYS 44 -11.861 -1.649 2.587
322 HG3 LYS 44 1HG LYS 44 -12.264 -2.648 1.191
323 HD2 LYS 44 2HD LYS 44 -11.359 -4.610 2.336
324 HD3 LYS 44 1HD LYS 44 -10.935 -3.604 3.721
325 HE2 LYS 44 2HE LYS 44 -13.310 -3.049 4.022
326 HE3 LYS 44 1HE LYS 44 -13.712 -4.099 2.664
327 HZ1 LYS 44 3HZ LYS 44 -12.446 -4.958 5.210
328 HZ2 LYS 44 1HZ LYS 44 -12.785 -5.964 3.906
329 HZ3 LYS 44 2HZ LYS 44 -14.040 -5.234 4.757
330 H CYS 45 H CYS 45 -8.170 0.154 1.747
331 HA CYS 45 HA CYS 45 -6.556 0.346 -0.653
332 HB2 CYS 45 2HB CYS 45 -6.918 2.280 0.947
333 HB3 CYS 45 1HB CYS 45 -5.855 1.414 2.060
334 H ILE 46 H ILE 46 -4.991 -0.881 -1.125
335 HA ILE 46 HA ILE 46 -3.926 -2.591 0.997
336 HB ILE 46 HB ILE 46 -3.876 -3.214 -1.968
337 HG12 ILE 46 2HG1 ILE 46 -6.261 -3.039 -1.303
338 HG13 ILE 46 1HG1 ILE 46 -5.803 -4.690 -1.695
339 HG21 ILE 46 1HG2 ILE 46 -3.514 -4.840 0.528
340 HG22 ILE 46 2HG2 ILE 46 -2.298 -4.481 -0.705
341 HG23 ILE 46 3HG2 ILE 46 -3.691 -5.526 -1.072
342 HD11 ILE 46 3HD1 ILE 46 -7.268 -4.612 0.234
343 HD12 ILE 46 1HD1 ILE 46 -6.127 -3.555 1.078
344 HD13 ILE 46 2HD1 ILE 46 -5.667 -5.212 0.670
345 H CYS 47 H CYS 47 -1.711 -2.412 1.258
346 HA CYS 47 HA CYS 47 -0.377 -0.393 -0.297
347 HB2 CYS 47 2HB CYS 47 0.647 -2.151 1.953
348 HB3 CYS 47 1HB CYS 47 1.498 -0.774 1.265
349 H TYR 48 H TYR 48 1.526 -0.823 -1.524
350 HA TYR 48 HA TYR 48 1.781 -3.615 -2.363
351 HB2 TYR 48 2HB TYR 48 1.514 -1.151 -4.034
352 HB3 TYR 48 1HB TYR 48 2.243 -2.612 -4.689
353 HD1 TYR 48 2HD TYR 48 -0.863 -1.029 -3.475
354 HD2 TYR 48 1HD TYR 48 0.817 -4.524 -5.234
355 HE1 TYR 48 2HE TYR 48 -3.101 -1.824 -4.017
356 HE2 TYR 48 1HE TYR 48 -1.429 -5.324 -5.787
357 HH TYR 48 HH TYR 48 -4.170 -3.363 -5.623
358 H PHE 49 H PHE 49 3.733 -4.366 -2.341
359 HA PHE 49 HA PHE 49 5.970 -2.511 -2.104
360 HB2 PHE 49 2HB PHE 49 5.552 -5.281 -0.975
361 HB3 PHE 49 1HB PHE 49 7.139 -4.523 -1.039
362 HD1 PHE 49 1HD PHE 49 3.755 -4.275 0.420
363 HD2 PHE 49 2HD PHE 49 7.766 -2.857 0.501
364 HE1 PHE 49 1HE PHE 49 3.306 -3.106 2.545
365 HE2 PHE 49 2HE PHE 49 7.319 -1.694 2.615
366 HZ PHE 49 HZ PHE 49 5.080 -1.822 3.634
367 HA PRO 50 HA PRO 50 7.327 -4.264 -5.899
368 HB2 PRO 50 2HB PRO 50 9.832 -3.314 -5.984
369 HB3 PRO 50 1HB PRO 50 8.426 -2.257 -6.152
370 HG2 PRO 50 2HG PRO 50 10.231 -2.643 -3.819
371 HG3 PRO 50 1HG PRO 50 9.363 -1.192 -4.339
372 HD2 PRO 50 2HD PRO 50 8.560 -2.970 -2.287
373 HD3 PRO 50 1HD PRO 50 7.575 -1.711 -3.047
374 H CYS 51 H CYS 51 7.600 -6.366 -6.042
375 HA CYS 51 HA CYS 51 9.818 -7.639 -4.632
376 HB2 CYS 51 2HB CYS 51 7.390 -8.873 -5.955
377 HB3 CYS 51 1HB CYS 51 8.607 -9.720 -5.008
Start of MODEL 6
1 H1 GLN 1 1HT GLN 1 10.408 -7.447 -10.784
2 H2 GLN 1 2HT GLN 1 10.124 -7.809 -9.143
3 H3 GLN 1 3HT GLN 1 11.683 -7.563 -9.678
4 HA GLN 1 HA GLN 1 10.702 -5.733 -8.426
5 HB2 GLN 1 2HB GLN 1 11.542 -5.205 -11.282
6 HB3 GLN 1 1HB GLN 1 11.301 -3.922 -10.104
7 HG2 GLN 1 2HG GLN 1 12.991 -4.997 -8.659
8 HG3 GLN 1 1HG GLN 1 13.289 -6.169 -9.944
9 HE21 GLN 1 1HE2 GLN 1 14.398 -5.513 -11.763
10 HE22 GLN 1 2HE2 GLN 1 15.250 -4.008 -11.821
11 H LYS 2 H LYS 2 8.408 -7.168 -9.248
12 HA LYS 2 HA LYS 2 6.707 -5.146 -10.479
13 HB2 LYS 2 2HB LYS 2 6.274 -8.052 -9.779
14 HB3 LYS 2 1HB LYS 2 4.987 -6.988 -10.320
15 HG2 LYS 2 2HG LYS 2 6.146 -6.640 -12.421
16 HG3 LYS 2 1HG LYS 2 7.455 -7.697 -11.882
17 HD2 LYS 2 2HD LYS 2 6.004 -9.583 -11.820
18 HD3 LYS 2 1HD LYS 2 4.579 -8.582 -12.079
19 HE2 LYS 2 2HE LYS 2 6.835 -9.007 -14.037
20 HE3 LYS 2 1HE LYS 2 5.236 -9.743 -14.132
21 HZ1 LYS 2 3HZ LYS 2 5.411 -7.821 -15.579
22 HZ2 LYS 2 1HZ LYS 2 5.834 -6.839 -14.294
23 HZ3 LYS 2 2HZ LYS 2 4.290 -7.489 -14.371
24 H LEU 3 H LEU 3 4.546 -4.947 -9.366
25 HA LEU 3 HA LEU 3 5.102 -4.310 -6.639
26 HB2 LEU 3 2HB LEU 3 2.659 -4.009 -8.334
27 HB3 LEU 3 1HB LEU 3 2.709 -3.514 -6.666
28 HG LEU 3 HG LEU 3 4.380 -2.367 -8.913
29 HD11 LEU 3 1HD1 LEU 3 2.041 -1.703 -8.987
30 HD12 LEU 3 2HD1 LEU 3 3.079 -0.347 -8.546
31 HD13 LEU 3 3HD1 LEU 3 2.130 -1.172 -7.307
32 HD21 LEU 3 3HD2 LEU 3 4.272 -1.601 -5.990
33 HD22 LEU 3 1HD2 LEU 3 5.138 -0.726 -7.251
34 HD23 LEU 3 2HD2 LEU 3 5.635 -2.357 -6.815
35 H CYS 4 H CYS 4 4.951 -5.655 -5.125
36 HA CYS 4 HA CYS 4 3.113 -7.909 -5.331
37 HB2 CYS 4 2HB CYS 4 4.380 -8.740 -3.286
38 HB3 CYS 4 1HB CYS 4 5.336 -8.626 -4.757
39 H GLN 5 H GLN 5 1.364 -8.047 -4.049
40 HA GLN 5 HA GLN 5 0.670 -5.560 -2.746
41 HB2 GLN 5 2HB GLN 5 -1.659 -6.459 -2.803
42 HB3 GLN 5 1HB GLN 5 -0.910 -6.308 -4.378
43 HG2 GLN 5 2HG GLN 5 -0.403 -8.744 -4.296
44 HG3 GLN 5 1HG GLN 5 -1.337 -8.833 -2.804
45 HE21 GLN 5 1HE2 GLN 5 -3.303 -6.857 -3.800
46 HE22 GLN 5 2HE2 GLN 5 -4.274 -7.694 -4.942
47 H ARG 6 H ARG 6 0.374 -5.268 -0.658
48 HA ARG 6 HA ARG 6 0.499 -7.605 1.111
49 HB2 ARG 6 2HB ARG 6 2.721 -6.546 0.962
50 HB3 ARG 6 1HB ARG 6 2.011 -5.021 1.476
51 HG2 ARG 6 2HG ARG 6 1.265 -6.182 3.569
52 HG3 ARG 6 1HG ARG 6 2.238 -7.560 3.055
53 HD2 ARG 6 2HD ARG 6 4.213 -6.070 3.000
54 HD3 ARG 6 1HD ARG 6 3.199 -4.779 3.649
55 HE ARG 6 HE ARG 6 3.423 -7.293 5.100
56 HH11 ARG 6 1HH1 ARG 6 3.869 -3.737 5.072
57 HH12 ARG 6 2HH1 ARG 6 4.562 -3.711 6.609
58 HH21 ARG 6 1HH2 ARG 6 4.322 -7.166 7.258
59 HH22 ARG 6 2HH2 ARG 6 4.794 -5.656 7.901
60 HA PRO 7 HA PRO 7 -2.810 -5.156 3.088
61 HB2 PRO 7 2HB PRO 7 -3.078 -7.574 4.743
62 HB3 PRO 7 1HB PRO 7 -4.289 -6.825 3.700
63 HG2 PRO 7 2HG PRO 7 -3.178 -9.196 3.090
64 HG3 PRO 7 1HG PRO 7 -3.630 -8.020 1.845
65 HD2 PRO 7 2HD PRO 7 -0.922 -8.586 3.007
66 HD3 PRO 7 1HD PRO 7 -1.400 -8.345 1.308
67 H SER 8 H SER 8 -2.585 -4.063 5.111
68 HA SER 8 HA SER 8 -0.653 -5.075 6.966
69 HB2 SER 8 2HB SER 8 0.669 -3.919 5.199
70 HB3 SER 8 1HB SER 8 -0.189 -2.430 5.594
71 HG SER 8 HG SER 8 1.671 -2.450 6.625
72 H GLY 9 H GLY 9 -0.490 -3.679 8.875
73 HA2 GLY 9 2HA GLY 9 -3.111 -2.883 9.733
74 HA3 GLY 9 1HA GLY 9 -1.638 -2.902 10.692
75 H THR 10 H THR 10 -0.644 -1.211 8.152
76 HA THR 10 HA THR 10 -0.802 1.317 9.379
77 HB THR 10 HB THR 10 -0.017 1.995 6.990
78 HG1 THR 10 1HG THR 10 0.911 -0.319 6.228
79 HG21 THR 10 3HG2 THR 10 1.479 1.728 8.909
80 HG22 THR 10 1HG2 THR 10 2.228 1.088 7.445
81 HG23 THR 10 2HG2 THR 10 1.529 -0.014 8.634
82 H TRP 11 H TRP 11 -2.127 0.152 6.379
83 HA TRP 11 HA TRP 11 -4.293 1.913 6.115
84 HB2 TRP 11 2HB TRP 11 -4.043 0.691 4.175
85 HB3 TRP 11 1HB TRP 11 -3.580 -0.772 5.034
86 HD1 TRP 11 HD TRP 11 -6.899 1.225 4.339
87 HE1 TRP 11 1HE TRP 11 -8.800 -0.521 4.256
88 HE3 TRP 11 3HE TRP 11 -4.208 -2.987 5.300
89 HZ2 TRP 11 2HZ TRP 11 -9.087 -3.270 4.502
90 HZ3 TRP 11 3HZ TRP 11 -5.374 -5.164 5.329
91 HH2 TRP 11 HH TRP 11 -7.764 -5.292 4.935
92 H SER 12 H SER 12 -6.347 1.956 6.996
93 HA SER 12 HA SER 12 -7.035 -0.197 8.813
94 HB2 SER 12 2HB SER 12 -6.083 1.619 10.169
95 HB3 SER 12 1HB SER 12 -7.230 2.754 9.465
96 HG SER 12 HG SER 12 -7.694 0.635 11.278
97 H GLY 13 H GLY 13 -8.760 -1.053 7.867
98 HA2 GLY 13 2HA GLY 13 -11.002 -1.271 7.452
99 HA3 GLY 13 1HA GLY 13 -11.207 0.376 8.000
100 H VAL 14 H VAL 14 -11.913 1.763 6.551
101 HA VAL 14 HA VAL 14 -12.303 0.787 3.874
102 HB VAL 14 HB VAL 14 -14.162 1.848 5.140
103 HG11 VAL 14 1HG1 VAL 14 -12.681 4.430 4.722
104 HG12 VAL 14 2HG1 VAL 14 -12.989 3.639 6.263
105 HG13 VAL 14 3HG1 VAL 14 -14.334 4.278 5.318
106 HG21 VAL 14 3HG2 VAL 14 -14.325 1.663 2.729
107 HG22 VAL 14 1HG2 VAL 14 -13.463 3.190 2.531
108 HG23 VAL 14 2HG2 VAL 14 -15.064 3.171 3.268
109 H CYS 15 H CYS 15 -11.468 1.471 2.097
110 HA CYS 15 HA CYS 15 -9.267 3.360 2.091
111 HB2 CYS 15 2HB CYS 15 -9.108 1.168 0.928
112 HB3 CYS 15 1HB CYS 15 -10.480 1.612 -0.065
113 H GLY 16 H GLY 16 -9.844 5.431 1.868
114 HA2 GLY 16 2HA GLY 16 -12.343 6.086 0.496
115 HA3 GLY 16 1HA GLY 16 -11.411 7.162 1.533
116 H ASN 17 H ASN 17 -9.044 7.330 0.638
117 HA ASN 17 HA ASN 17 -9.317 8.073 -2.195
118 HB2 ASN 17 2HB ASN 17 -7.469 9.265 -0.099
119 HB3 ASN 17 1HB ASN 17 -7.472 9.702 -1.794
120 HD21 ASN 17 1HD2 ASN 17 -7.875 11.841 -1.402
121 HD22 ASN 17 2HD2 ASN 17 -9.379 12.428 -0.807
122 H ASN 18 H ASN 18 -8.204 6.799 -3.474
123 HA ASN 18 HA ASN 18 -6.481 4.751 -2.697
124 HB2 ASN 18 2HB ASN 18 -6.618 6.210 -5.349
125 HB3 ASN 18 1HB ASN 18 -5.617 4.794 -5.074
126 HD21 ASN 18 1HD2 ASN 18 -8.828 5.982 -5.476
127 HD22 ASN 18 2HD2 ASN 18 -9.599 4.458 -5.675
128 H ASN 19 H ASN 19 -5.748 8.003 -3.770
129 HA ASN 19 HA ASN 19 -2.937 7.760 -3.740
130 HB2 ASN 19 2HB ASN 19 -4.704 10.199 -3.575
131 HB3 ASN 19 1HB ASN 19 -2.953 10.268 -3.710
132 HD21 ASN 19 1HD2 ASN 19 -5.065 11.208 -5.515
133 HD22 ASN 19 2HD2 ASN 19 -4.722 10.453 -7.027
134 H ALA 20 H ALA 20 -5.239 8.521 -1.243
135 HA ALA 20 HA ALA 20 -3.307 9.688 0.522
136 HB1 ALA 20 1HB ALA 20 -5.706 10.262 0.674
137 HB2 ALA 20 2HB ALA 20 -5.037 9.690 2.201
138 HB3 ALA 20 3HB ALA 20 -6.036 8.615 1.226
139 H CYS 21 H CYS 21 -4.892 6.483 0.338
140 HA CYS 21 HA CYS 21 -3.380 5.604 2.581
141 HB2 CYS 21 2HB CYS 21 -4.274 3.367 2.149
142 HB3 CYS 21 1HB CYS 21 -5.557 4.563 2.065
143 H LYS 22 H LYS 22 -2.979 5.496 -0.880
144 HA LYS 22 HA LYS 22 -0.781 3.886 -1.273
145 HB2 LYS 22 2HB LYS 22 -2.014 5.113 -3.004
146 HB3 LYS 22 1HB LYS 22 -1.350 6.625 -2.417
147 HG2 LYS 22 2HG LYS 22 0.913 5.786 -3.042
148 HG3 LYS 22 1HG LYS 22 0.132 4.378 -3.767
149 HD2 LYS 22 2HD LYS 22 -0.333 7.269 -4.573
150 HD3 LYS 22 1HD LYS 22 0.614 6.078 -5.449
151 HE2 LYS 22 2HE LYS 22 -1.361 4.747 -5.855
152 HE3 LYS 22 1HE LYS 22 -2.336 5.833 -4.869
153 HZ1 LYS 22 3HZ LYS 22 -2.135 7.538 -6.441
154 HZ2 LYS 22 1HZ LYS 22 -2.498 6.168 -7.303
155 HZ3 LYS 22 2HZ LYS 22 -0.935 6.758 -7.338
156 H ASN 23 H ASN 23 -0.744 7.411 -0.640
157 HA ASN 23 HA ASN 23 1.979 7.686 -0.219
158 HB2 ASN 23 2HB ASN 23 0.420 9.483 -0.783
159 HB3 ASN 23 1HB ASN 23 -0.363 9.292 0.779
160 HD21 ASN 23 1HD2 ASN 23 0.034 11.224 1.528
161 HD22 ASN 23 2HD2 ASN 23 1.601 11.837 1.888
162 H GLN 24 H GLN 24 -0.700 6.893 1.907
163 HA GLN 24 HA GLN 24 0.671 7.254 4.338
164 HB2 GLN 24 2HB GLN 24 -1.825 7.086 4.055
165 HB3 GLN 24 1HB GLN 24 -1.612 5.357 3.826
166 HG2 GLN 24 2HG GLN 24 -0.679 5.158 6.051
167 HG3 GLN 24 1HG GLN 24 -0.854 6.895 6.292
168 HE21 GLN 24 1HE2 GLN 24 -1.998 4.750 7.804
169 HE22 GLN 24 2HE2 GLN 24 -3.707 4.937 7.718
170 H CYS 25 H CYS 25 0.339 4.448 2.177
171 HA CYS 25 HA CYS 25 1.640 2.610 3.900
172 HB2 CYS 25 2HB CYS 25 1.455 2.685 0.862
173 HB3 CYS 25 1HB CYS 25 2.067 1.305 1.776
174 H ILE 26 H ILE 26 2.688 4.668 1.279
175 HA ILE 26 HA ILE 26 5.406 4.088 1.199
176 HB ILE 26 HB ILE 26 3.912 6.641 0.531
177 HG12 ILE 26 2HG1 ILE 26 4.908 4.503 -1.342
178 HG13 ILE 26 1HG1 ILE 26 3.315 4.437 -0.602
179 HG21 ILE 26 1HG2 ILE 26 6.700 5.789 -0.273
180 HG22 ILE 26 2HG2 ILE 26 6.288 7.138 0.788
181 HG23 ILE 26 3HG2 ILE 26 5.837 7.185 -0.916
182 HD11 ILE 26 3HD1 ILE 26 3.290 5.323 -2.862
183 HD12 ILE 26 1HD1 ILE 26 4.305 6.684 -2.344
184 HD13 ILE 26 2HD1 ILE 26 2.679 6.438 -1.650
185 H ARG 27 H ARG 27 3.655 6.502 3.112
186 HA ARG 27 HA ARG 27 6.074 7.467 4.321
187 HB2 ARG 27 2HB ARG 27 3.186 8.078 4.867
188 HB3 ARG 27 1HB ARG 27 4.513 8.829 5.745
189 HG2 ARG 27 2HG ARG 27 3.953 9.045 2.788
190 HG3 ARG 27 1HG ARG 27 3.697 10.299 4.000
191 HD2 ARG 27 2HD ARG 27 6.350 9.110 3.173
192 HD3 ARG 27 1HD ARG 27 5.748 10.712 2.773
193 HE ARG 27 HE ARG 27 5.701 10.973 5.325
194 HH11 ARG 27 1HH1 ARG 27 8.243 9.254 3.503
195 HH12 ARG 27 2HH1 ARG 27 9.460 9.592 4.630
196 HH21 ARG 27 1HH2 ARG 27 7.402 11.421 6.845
197 HH22 ARG 27 2HH2 ARG 27 8.984 10.823 6.576
198 H LEU 28 H LEU 28 4.092 4.779 5.029
199 HA LEU 28 HA LEU 28 4.963 4.991 7.822
200 HB2 LEU 28 2HB LEU 28 2.647 3.391 6.714
201 HB3 LEU 28 1HB LEU 28 3.208 3.281 8.361
202 HG LEU 28 HG LEU 28 2.009 5.724 7.049
203 HD11 LEU 28 1HD1 LEU 28 0.200 5.396 8.610
204 HD12 LEU 28 2HD1 LEU 28 0.966 3.927 9.212
205 HD13 LEU 28 3HD1 LEU 28 0.392 4.006 7.546
206 HD21 LEU 28 3HD2 LEU 28 3.701 6.428 8.641
207 HD22 LEU 28 1HD2 LEU 28 3.037 5.334 9.860
208 HD23 LEU 28 2HD2 LEU 28 2.090 6.706 9.298
209 H GLU 29 H GLU 29 4.523 2.503 5.346
210 HA GLU 29 HA GLU 29 6.699 1.113 6.694
211 HB2 GLU 29 2HB GLU 29 5.822 -0.954 5.612
212 HB3 GLU 29 1HB GLU 29 4.776 -0.220 6.814
213 HG2 GLU 29 2HG GLU 29 3.508 0.826 4.935
214 HG3 GLU 29 1HG GLU 29 4.450 -0.172 3.825
215 H LYS 30 H LYS 30 6.125 2.998 4.179
216 HA LYS 30 HA LYS 30 7.426 3.715 2.492
217 HB2 LYS 30 2HB LYS 30 9.442 1.721 3.519
218 HB3 LYS 30 1HB LYS 30 9.775 2.918 2.273
219 HG2 LYS 30 2HG LYS 30 9.301 4.699 3.912
220 HG3 LYS 30 1HG LYS 30 9.042 3.461 5.142
221 HD2 LYS 30 2HD LYS 30 11.610 3.916 3.614
222 HD3 LYS 30 1HD LYS 30 11.291 4.426 5.271
223 HE2 LYS 30 2HE LYS 30 11.347 1.566 4.281
224 HE3 LYS 30 1HE LYS 30 12.624 2.374 5.176
225 HZ1 LYS 30 3HZ LYS 30 11.070 2.630 7.051
226 HZ2 LYS 30 1HZ LYS 30 11.281 1.020 6.636
227 HZ3 LYS 30 2HZ LYS 30 9.887 1.804 6.200
228 H ALA 31 H ALA 31 5.498 2.025 1.948
229 HA ALA 31 HA ALA 31 6.323 -0.047 0.181
230 HB1 ALA 31 1HB ALA 31 3.970 -0.075 -0.512
231 HB2 ALA 31 2HB ALA 31 3.694 1.427 0.367
232 HB3 ALA 31 3HB ALA 31 4.109 -0.045 1.248
233 H ARG 32 H ARG 32 5.514 0.142 -2.178
234 HA ARG 32 HA ARG 32 6.732 2.560 -3.251
235 HB2 ARG 32 2HB ARG 32 7.485 0.415 -4.172
236 HB3 ARG 32 1HB ARG 32 5.837 0.015 -4.636
237 HG2 ARG 32 2HG ARG 32 7.023 0.730 -6.589
238 HG3 ARG 32 1HG ARG 32 5.855 1.977 -6.166
239 HD2 ARG 32 2HD ARG 32 7.911 3.064 -6.749
240 HD3 ARG 32 1HD ARG 32 7.697 3.214 -5.009
241 HE ARG 32 HE ARG 32 9.295 1.011 -6.019
242 HH11 ARG 32 1HH1 ARG 32 9.297 4.234 -4.558
243 HH12 ARG 32 2HH1 ARG 32 10.874 4.124 -3.944
244 HH21 ARG 32 1HH2 ARG 32 11.513 0.873 -5.171
245 HH22 ARG 32 2HH2 ARG 32 12.160 2.177 -4.311
246 H HIS 33 H HIS 33 3.672 0.869 -3.074
247 HA HIS 33 HA HIS 33 2.287 3.197 -4.082
248 HB2 HIS 33 2HB HIS 33 3.041 1.792 -6.086
249 HB3 HIS 33 1HB HIS 33 2.025 0.504 -5.486
250 HD1 HIS 33 1HD HIS 33 1.832 3.913 -7.138
251 HD2 HIS 33 2HD HIS 33 -0.640 0.716 -6.128
252 HE1 HIS 33 1HE HIS 33 -0.322 4.326 -8.296
253 H GLY 34 H GLY 34 -0.227 2.507 -4.048
254 HA2 GLY 34 2HA GLY 34 -1.064 0.341 -2.473
255 HA3 GLY 34 1HA GLY 34 -0.994 1.814 -1.500
256 H SER 35 H SER 35 -3.390 0.349 -2.404
257 HA SER 35 HA SER 35 -4.919 2.603 -3.225
258 HB2 SER 35 2HB SER 35 -5.613 1.790 -5.477
259 HB3 SER 35 1HB SER 35 -3.915 2.267 -5.405
260 HG SER 35 HG SER 35 -4.232 -0.305 -4.727
261 H CYS 36 H CYS 36 -7.219 2.004 -3.775
262 HA CYS 36 HA CYS 36 -8.270 0.089 -1.977
263 HB2 CYS 36 2HB CYS 36 -9.611 1.426 -4.345
264 HB3 CYS 36 1HB CYS 36 -10.423 0.673 -2.988
265 H ASN 37 H ASN 37 -7.931 -2.030 -2.377
266 HA ASN 37 HA ASN 37 -7.837 -2.982 -5.156
267 HB2 ASN 37 2HB ASN 37 -6.048 -3.638 -3.501
268 HB3 ASN 37 1HB ASN 37 -7.272 -4.553 -2.633
269 HD21 ASN 37 1HD2 ASN 37 -7.985 -6.534 -3.506
270 HD22 ASN 37 2HD2 ASN 37 -7.156 -7.266 -4.837
271 H TYR 38 H TYR 38 -9.744 -3.140 -2.309
272 HA TYR 38 HA TYR 38 -11.465 -5.186 -3.471
273 HB2 TYR 38 2HB TYR 38 -10.741 -5.194 -0.974
274 HB3 TYR 38 1HB TYR 38 -11.877 -3.870 -0.785
275 HD1 TYR 38 1HD TYR 38 -11.864 -7.273 -2.302
276 HD2 TYR 38 2HD TYR 38 -13.967 -4.432 0.049
277 HE1 TYR 38 1HE TYR 38 -13.663 -8.887 -1.973
278 HE2 TYR 38 2HE TYR 38 -15.773 -6.033 0.382
279 HH TYR 38 HH TYR 38 -16.692 -8.099 -0.800
280 H VAL 39 H VAL 39 -13.946 -4.547 -2.726
281 HA VAL 39 HA VAL 39 -14.612 -1.944 -3.858
282 HB VAL 39 HB VAL 39 -16.411 -3.139 -5.206
283 HG11 VAL 39 1HG1 VAL 39 -14.962 -3.888 -7.013
284 HG12 VAL 39 2HG1 VAL 39 -13.587 -3.899 -5.909
285 HG13 VAL 39 3HG1 VAL 39 -14.382 -2.377 -6.311
286 HG21 VAL 39 3HG2 VAL 39 -16.129 -5.535 -5.648
287 HG22 VAL 39 1HG2 VAL 39 -16.461 -5.229 -3.941
288 HG23 VAL 39 2HG2 VAL 39 -14.819 -5.593 -4.466
289 H PHE 40 H PHE 40 -17.375 -2.586 -3.821
290 HA PHE 40 HA PHE 40 -18.322 -2.019 -1.323
291 HB2 PHE 40 2HB PHE 40 -19.636 -1.969 -3.397
292 HB3 PHE 40 1HB PHE 40 -19.579 -3.719 -3.498
293 HD1 PHE 40 1HD PHE 40 -20.936 -0.870 -1.572
294 HD2 PHE 40 2HD PHE 40 -21.185 -5.038 -2.392
295 HE1 PHE 40 1HE PHE 40 -23.056 -0.983 -0.352
296 HE2 PHE 40 2HE PHE 40 -23.301 -5.160 -1.171
297 HZ PHE 40 HZ PHE 40 -24.249 -3.130 -0.148
298 HA PRO 41 HA PRO 41 -19.877 -2.423 0.129
299 HB2 PRO 41 2HB PRO 41 -20.359 -2.956 2.673
300 HB3 PRO 41 1HB PRO 41 -21.136 -3.901 1.396
301 HG2 PRO 41 2HG PRO 41 -18.805 -4.603 3.120
302 HG3 PRO 41 1HG PRO 41 -20.145 -5.631 2.589
303 HD2 PRO 41 2HD PRO 41 -17.610 -5.519 1.417
304 HD3 PRO 41 1HD PRO 41 -19.061 -6.192 0.653
305 H ALA 42 H ALA 42 -16.741 -3.096 0.763
306 HA ALA 42 HA ALA 42 -16.238 -0.519 1.886
307 HB1 ALA 42 1HB ALA 42 -15.035 -1.292 3.876
308 HB2 ALA 42 2HB ALA 42 -15.490 -2.955 3.517
309 HB3 ALA 42 3HB ALA 42 -16.729 -1.777 3.947
310 H HIS 43 H HIS 43 -14.851 -0.000 0.338
311 HA HIS 43 HA HIS 43 -12.994 -1.634 -0.963
312 HB2 HIS 43 2HB HIS 43 -12.829 1.335 -0.371
313 HB3 HIS 43 1HB HIS 43 -11.770 0.478 -1.473
314 HD1 HIS 43 1HD HIS 43 -14.927 2.305 -1.330
315 HD2 HIS 43 2HD HIS 43 -13.148 -0.511 -3.800
316 HE1 HIS 43 1HE HIS 43 -16.156 2.444 -3.523
317 H LYS 44 H LYS 44 -11.122 -2.491 -0.265
318 HA LYS 44 HA LYS 44 -9.967 -1.530 2.269
319 HB2 LYS 44 2HB LYS 44 -9.203 -4.048 0.780
320 HB3 LYS 44 1HB LYS 44 -8.880 -3.611 2.449
321 HG2 LYS 44 2HG LYS 44 -11.587 -4.347 1.310
322 HG3 LYS 44 1HG LYS 44 -10.552 -5.407 2.251
323 HD2 LYS 44 2HD LYS 44 -10.803 -3.919 4.186
324 HD3 LYS 44 1HD LYS 44 -11.839 -2.850 3.224
325 HE2 LYS 44 2HE LYS 44 -13.166 -4.318 4.630
326 HE3 LYS 44 1HE LYS 44 -13.410 -4.716 2.930
327 HZ1 LYS 44 3HZ LYS 44 -13.126 -6.701 4.319
328 HZ2 LYS 44 1HZ LYS 44 -11.630 -6.169 4.808
329 HZ3 LYS 44 2HZ LYS 44 -11.882 -6.618 3.205
330 H CYS 45 H CYS 45 -7.677 -0.968 2.237
331 HA CYS 45 HA CYS 45 -6.707 -0.506 -0.482
332 HB2 CYS 45 2HB CYS 45 -6.922 1.536 0.941
333 HB3 CYS 45 1HB CYS 45 -5.795 0.820 2.088
334 H ILE 46 H ILE 46 -4.915 -1.472 -1.116
335 HA ILE 46 HA ILE 46 -3.501 -3.055 0.898
336 HB ILE 46 HB ILE 46 -3.930 -3.726 -2.043
337 HG12 ILE 46 2HG1 ILE 46 -5.989 -4.067 -0.756
338 HG13 ILE 46 1HG1 ILE 46 -5.300 -5.601 -1.272
339 HG21 ILE 46 1HG2 ILE 46 -1.801 -4.567 -1.319
340 HG22 ILE 46 2HG2 ILE 46 -2.950 -5.918 -1.440
341 HG23 ILE 46 3HG2 ILE 46 -2.535 -5.248 0.131
342 HD11 ILE 46 3HD1 ILE 46 -5.132 -4.416 1.499
343 HD12 ILE 46 1HD1 ILE 46 -4.415 -5.947 0.993
344 HD13 ILE 46 2HD1 ILE 46 -6.166 -5.750 0.990
345 H CYS 47 H CYS 47 -1.285 -2.862 0.902
346 HA CYS 47 HA CYS 47 -0.234 -0.607 -0.587
347 HB2 CYS 47 2HB CYS 47 1.066 -2.309 1.567
348 HB3 CYS 47 1HB CYS 47 1.672 -0.783 0.942
349 H TYR 48 H TYR 48 1.725 -0.859 -1.825
350 HA TYR 48 HA TYR 48 2.221 -3.627 -2.721
351 HB2 TYR 48 2HB TYR 48 2.263 -1.127 -4.389
352 HB3 TYR 48 1HB TYR 48 2.680 -2.739 -4.933
353 HD1 TYR 48 2HD TYR 48 0.890 -4.394 -5.356
354 HD2 TYR 48 1HD TYR 48 -0.004 -0.435 -4.124
355 HE1 TYR 48 2HE TYR 48 -1.429 -4.692 -6.089
356 HE2 TYR 48 1HE TYR 48 -2.309 -0.712 -4.855
357 HH TYR 48 HH TYR 48 -3.514 -2.095 -6.484
358 H PHE 49 H PHE 49 4.296 -4.185 -2.816
359 HA PHE 49 HA PHE 49 6.327 -2.106 -2.423
360 HB2 PHE 49 2HB PHE 49 6.206 -4.959 -1.435
361 HB3 PHE 49 1HB PHE 49 7.698 -4.034 -1.448
362 HD1 PHE 49 2HD PHE 49 4.339 -4.316 0.052
363 HD2 PHE 49 1HD PHE 49 8.117 -2.348 0.165
364 HE1 PHE 49 2HE PHE 49 3.790 -3.367 2.240
365 HE2 PHE 49 1HE PHE 49 7.552 -1.406 2.367
366 HZ PHE 49 HZ PHE 49 5.381 -1.932 3.396
367 HA PRO 50 HA PRO 50 8.064 -3.740 -6.168
368 HB2 PRO 50 2HB PRO 50 10.666 -3.024 -5.950
369 HB3 PRO 50 1HB PRO 50 9.375 -1.857 -6.245
370 HG2 PRO 50 2HG PRO 50 10.875 -2.422 -3.754
371 HG3 PRO 50 1HG PRO 50 10.159 -0.902 -4.311
372 HD2 PRO 50 2HD PRO 50 9.060 -2.677 -2.406
373 HD3 PRO 50 1HD PRO 50 8.225 -1.335 -3.201
374 H CYS 51 H CYS 51 7.927 -5.906 -6.093
375 HA CYS 51 HA CYS 51 10.082 -7.394 -4.800
376 HB2 CYS 51 2HB CYS 51 7.256 -8.203 -5.510
377 HB3 CYS 51 1HB CYS 51 8.490 -9.375 -5.066
Start of MODEL 7
1 H1 GLN 1 1HT GLN 1 10.124 -5.589 -12.621
2 H2 GLN 1 2HT GLN 1 10.314 -7.253 -12.465
3 H3 GLN 1 3HT GLN 1 11.492 -6.215 -11.843
4 HA GLN 1 HA GLN 1 10.075 -7.138 -10.116
5 HB2 GLN 1 2HB GLN 1 9.369 -5.029 -9.058
6 HB3 GLN 1 1HB GLN 1 10.984 -4.893 -9.729
7 HG2 GLN 1 2HG GLN 1 10.190 -3.613 -11.575
8 HG3 GLN 1 1HG GLN 1 8.512 -3.920 -11.139
9 HE21 GLN 1 1HE2 GLN 1 7.625 -2.816 -9.423
10 HE22 GLN 1 2HE2 GLN 1 8.343 -1.405 -8.737
11 H LYS 2 H LYS 2 7.930 -6.774 -9.059
12 HA LYS 2 HA LYS 2 5.687 -6.164 -10.788
13 HB2 LYS 2 2HB LYS 2 4.498 -8.229 -10.040
14 HB3 LYS 2 1HB LYS 2 5.912 -8.613 -11.013
15 HG2 LYS 2 2HG LYS 2 7.179 -9.087 -8.984
16 HG3 LYS 2 1HG LYS 2 5.759 -8.706 -8.014
17 HD2 LYS 2 2HD LYS 2 4.562 -10.571 -8.956
18 HD3 LYS 2 1HD LYS 2 5.883 -10.894 -10.083
19 HE2 LYS 2 2HE LYS 2 6.085 -11.024 -7.075
20 HE3 LYS 2 1HE LYS 2 5.919 -12.418 -8.143
21 HZ1 LYS 2 3HZ LYS 2 8.016 -11.920 -9.138
22 HZ2 LYS 2 1HZ LYS 2 8.239 -11.995 -7.485
23 HZ3 LYS 2 2HZ LYS 2 8.222 -10.497 -8.253
24 H LEU 3 H LEU 3 3.779 -5.712 -9.365
25 HA LEU 3 HA LEU 3 4.778 -4.779 -6.797
26 HB2 LEU 3 2HB LEU 3 2.273 -4.121 -8.281
27 HB3 LEU 3 1HB LEU 3 2.626 -3.499 -6.693
28 HG LEU 3 HG LEU 3 4.170 -2.894 -9.222
29 HD11 LEU 3 1HD1 LEU 3 2.056 -1.733 -9.115
30 HD12 LEU 3 2HD1 LEU 3 3.384 -0.603 -8.852
31 HD13 LEU 3 3HD1 LEU 3 2.422 -1.166 -7.486
32 HD21 LEU 3 3HD2 LEU 3 5.712 -2.983 -7.336
33 HD22 LEU 3 1HD2 LEU 3 4.646 -1.937 -6.393
34 HD23 LEU 3 2HD2 LEU 3 5.452 -1.313 -7.830
35 H CYS 4 H CYS 4 4.664 -6.173 -5.337
36 HA CYS 4 HA CYS 4 2.565 -8.141 -5.156
37 HB2 CYS 4 2HB CYS 4 4.814 -7.486 -3.250
38 HB3 CYS 4 1HB CYS 4 3.749 -8.887 -3.133
39 H GLN 5 H GLN 5 0.823 -8.086 -3.776
40 HA GLN 5 HA GLN 5 0.360 -5.526 -2.511
41 HB2 GLN 5 2HB GLN 5 -1.991 -6.207 -2.329
42 HB3 GLN 5 1HB GLN 5 -1.405 -6.338 -3.968
43 HG2 GLN 5 2HG GLN 5 -1.252 -8.740 -3.772
44 HG3 GLN 5 1HG GLN 5 -1.718 -8.653 -2.072
45 HE21 GLN 5 1HE2 GLN 5 -3.848 -8.135 -1.549
46 HE22 GLN 5 2HE2 GLN 5 -5.118 -8.229 -2.712
47 H ARG 6 H ARG 6 0.355 -5.184 -0.427
48 HA ARG 6 HA ARG 6 0.544 -7.481 1.372
49 HB2 ARG 6 2HB ARG 6 2.777 -6.585 0.976
50 HB3 ARG 6 1HB ARG 6 2.228 -4.983 1.437
51 HG2 ARG 6 2HG ARG 6 1.805 -5.743 3.694
52 HG3 ARG 6 1HG ARG 6 2.280 -7.383 3.262
53 HD2 ARG 6 2HD ARG 6 4.033 -4.932 3.200
54 HD3 ARG 6 1HD ARG 6 4.095 -6.228 4.391
55 HE ARG 6 HE ARG 6 4.408 -7.429 1.939
56 HH11 ARG 6 1HH1 ARG 6 6.162 -5.022 3.842
57 HH12 ARG 6 2HH1 ARG 6 7.682 -5.411 3.187
58 HH21 ARG 6 1HH2 ARG 6 6.504 -7.940 1.002
59 HH22 ARG 6 2HH2 ARG 6 7.880 -7.116 1.541
60 HA PRO 7 HA PRO 7 -2.509 -4.926 3.486
61 HB2 PRO 7 2HB PRO 7 -3.333 -6.887 5.196
62 HB3 PRO 7 1HB PRO 7 -3.952 -6.753 3.552
63 HG2 PRO 7 2HG PRO 7 -1.969 -8.636 4.683
64 HG3 PRO 7 1HG PRO 7 -3.115 -8.873 3.356
65 HD2 PRO 7 2HD PRO 7 -0.385 -8.366 3.094
66 HD3 PRO 7 1HD PRO 7 -1.591 -8.187 1.809
67 H SER 8 H SER 8 -1.642 -3.562 4.917
68 HA SER 8 HA SER 8 0.022 -4.694 7.017
69 HB2 SER 8 2HB SER 8 0.472 -2.160 5.470
70 HB3 SER 8 1HB SER 8 1.444 -2.705 6.837
71 HG SER 8 HG SER 8 2.110 -3.190 4.586
72 H GLY 9 H GLY 9 0.247 -3.372 8.918
73 HA2 GLY 9 2HA GLY 9 -2.190 -2.698 10.069
74 HA3 GLY 9 1HA GLY 9 -0.613 -2.329 10.736
75 H THR 10 H THR 10 0.058 -0.645 8.354
76 HA THR 10 HA THR 10 -0.836 1.829 9.222
77 HB THR 10 HB THR 10 1.035 1.948 7.804
78 HG1 THR 10 1HG THR 10 0.474 3.463 6.294
79 HG21 THR 10 3HG2 THR 10 0.779 -0.152 6.582
80 HG22 THR 10 1HG2 THR 10 1.129 1.174 5.478
81 HG23 THR 10 2HG2 THR 10 -0.519 0.551 5.609
82 H TRP 11 H TRP 11 -2.195 -0.162 6.647
83 HA TRP 11 HA TRP 11 -4.447 1.537 6.332
84 HB2 TRP 11 2HB TRP 11 -4.140 0.237 4.403
85 HB3 TRP 11 1HB TRP 11 -3.762 -1.217 5.322
86 HD1 TRP 11 HD TRP 11 -6.935 1.000 4.658
87 HE1 TRP 11 1HE TRP 11 -8.984 -0.555 4.696
88 HE3 TRP 11 3HE TRP 11 -4.578 -3.418 5.640
89 HZ2 TRP 11 2HZ TRP 11 -9.512 -3.273 5.051
90 HZ3 TRP 11 3HZ TRP 11 -5.918 -5.466 5.788
91 HH2 TRP 11 HH TRP 11 -8.355 -5.397 5.497
92 H SER 12 H SER 12 -6.059 1.741 7.615
93 HA SER 12 HA SER 12 -7.197 -0.479 8.942
94 HB2 SER 12 2HB SER 12 -7.173 0.736 11.190
95 HB3 SER 12 1HB SER 12 -5.642 0.028 10.677
96 HG SER 12 HG SER 12 -5.285 2.224 9.744
97 H GLY 13 H GLY 13 -9.092 -0.209 7.981
98 HA2 GLY 13 2HA GLY 13 -11.195 1.031 8.597
99 HA3 GLY 13 1HA GLY 13 -10.304 2.460 8.082
100 H VAL 14 H VAL 14 -11.548 3.001 6.390
101 HA VAL 14 HA VAL 14 -12.088 0.990 4.342
102 HB VAL 14 HB VAL 14 -13.757 2.551 3.464
103 HG11 VAL 14 1HG1 VAL 14 -14.014 2.248 6.453
104 HG12 VAL 14 2HG1 VAL 14 -14.453 1.036 5.258
105 HG13 VAL 14 3HG1 VAL 14 -15.338 2.562 5.332
106 HG21 VAL 14 3HG2 VAL 14 -12.918 4.415 5.695
107 HG22 VAL 14 1HG2 VAL 14 -14.286 4.663 4.611
108 HG23 VAL 14 2HG2 VAL 14 -12.641 4.675 3.974
109 H CYS 15 H CYS 15 -11.580 1.456 2.137
110 HA CYS 15 HA CYS 15 -9.359 3.303 1.840
111 HB2 CYS 15 2HB CYS 15 -9.233 1.005 0.846
112 HB3 CYS 15 1HB CYS 15 -10.595 1.418 -0.178
113 H GLY 16 H GLY 16 -10.324 5.291 1.969
114 HA2 GLY 16 2HA GLY 16 -12.655 5.945 0.434
115 HA3 GLY 16 1HA GLY 16 -11.649 7.057 1.362
116 H ASN 17 H ASN 17 -9.332 7.109 0.415
117 HA ASN 17 HA ASN 17 -9.573 7.445 -2.484
118 HB2 ASN 17 2HB ASN 17 -8.144 9.238 -0.528
119 HB3 ASN 17 1HB ASN 17 -7.799 9.252 -2.252
120 HD21 ASN 17 1HD2 ASN 17 -8.764 11.358 -0.641
121 HD22 ASN 17 2HD2 ASN 17 -10.295 11.850 -1.242
122 H ASN 18 H ASN 18 -8.182 6.448 -3.640
123 HA ASN 18 HA ASN 18 -6.386 4.530 -2.706
124 HB2 ASN 18 2HB ASN 18 -6.374 6.025 -5.347
125 HB3 ASN 18 1HB ASN 18 -5.364 4.635 -4.998
126 HD21 ASN 18 1HD2 ASN 18 -8.586 5.732 -5.762
127 HD22 ASN 18 2HD2 ASN 18 -9.235 4.168 -6.031
128 H ASN 19 H ASN 19 -5.856 7.816 -3.799
129 HA ASN 19 HA ASN 19 -3.053 7.809 -3.527
130 HB2 ASN 19 2HB ASN 19 -5.051 10.022 -3.770
131 HB3 ASN 19 1HB ASN 19 -3.351 10.367 -3.484
132 HD21 ASN 19 1HD2 ASN 19 -3.192 11.383 -5.467
133 HD22 ASN 19 2HD2 ASN 19 -3.136 10.503 -6.949
134 H ALA 20 H ALA 20 -5.543 8.433 -1.221
135 HA ALA 20 HA ALA 20 -3.886 9.784 0.672
136 HB1 ALA 20 1HB ALA 20 -5.708 9.412 2.254
137 HB2 ALA 20 2HB ALA 20 -6.449 8.251 1.155
138 HB3 ALA 20 3HB ALA 20 -6.369 9.950 0.708
139 H CYS 21 H CYS 21 -5.070 6.420 0.474
140 HA CYS 21 HA CYS 21 -3.434 5.735 2.691
141 HB2 CYS 21 2HB CYS 21 -4.195 3.413 2.290
142 HB3 CYS 21 1HB CYS 21 -5.517 4.565 2.427
143 H LYS 22 H LYS 22 -3.057 5.555 -0.792
144 HA LYS 22 HA LYS 22 -0.812 3.985 -1.152
145 HB2 LYS 22 2HB LYS 22 -2.011 5.245 -2.942
146 HB3 LYS 22 1HB LYS 22 -1.312 6.735 -2.336
147 HG2 LYS 22 2HG LYS 22 0.951 5.756 -2.839
148 HG3 LYS 22 1HG LYS 22 0.117 4.432 -3.651
149 HD2 LYS 22 2HD LYS 22 -0.050 7.371 -4.396
150 HD3 LYS 22 1HD LYS 22 0.826 6.122 -5.261
151 HE2 LYS 22 2HE LYS 22 -1.284 4.987 -5.750
152 HE3 LYS 22 1HE LYS 22 -2.161 6.236 -4.867
153 HZ1 LYS 22 3HZ LYS 22 -2.125 6.553 -7.308
154 HZ2 LYS 22 1HZ LYS 22 -0.466 6.764 -7.248
155 HZ3 LYS 22 2HZ LYS 22 -1.479 7.868 -6.484
156 H ASN 23 H ASN 23 -0.903 7.452 -0.521
157 HA ASN 23 HA ASN 23 1.777 7.940 -0.095
158 HB2 ASN 23 2HB ASN 23 0.040 9.578 -0.592
159 HB3 ASN 23 1HB ASN 23 -0.688 9.285 0.977
160 HD21 ASN 23 1HD2 ASN 23 -0.488 11.271 1.720
161 HD22 ASN 23 2HD2 ASN 23 1.018 12.041 2.027
162 H GLN 24 H GLN 24 -0.870 7.093 2.099
163 HA GLN 24 HA GLN 24 0.572 7.391 4.488
164 HB2 GLN 24 2HB GLN 24 -1.925 7.259 4.219
165 HB3 GLN 24 1HB GLN 24 -1.730 5.523 4.022
166 HG2 GLN 24 2HG GLN 24 -0.665 5.436 6.242
167 HG3 GLN 24 1HG GLN 24 -1.037 7.150 6.447
168 HE21 GLN 24 1HE2 GLN 24 -2.238 3.975 6.318
169 HE22 GLN 24 2HE2 GLN 24 -3.838 4.317 6.854
170 H CYS 25 H CYS 25 0.298 4.630 2.246
171 HA CYS 25 HA CYS 25 1.535 2.770 3.999
172 HB2 CYS 25 2HB CYS 25 1.423 2.847 0.955
173 HB3 CYS 25 1HB CYS 25 2.077 1.493 1.877
174 H ILE 26 H ILE 26 2.656 4.861 1.438
175 HA ILE 26 HA ILE 26 5.401 4.271 1.480
176 HB ILE 26 HB ILE 26 3.988 6.831 0.697
177 HG12 ILE 26 2HG1 ILE 26 4.824 4.567 -1.106
178 HG13 ILE 26 1HG1 ILE 26 3.228 4.650 -0.372
179 HG21 ILE 26 1HG2 ILE 26 6.700 5.764 -0.135
180 HG22 ILE 26 2HG2 ILE 26 6.415 7.154 0.915
181 HG23 ILE 26 3HG2 ILE 26 5.926 7.213 -0.779
182 HD11 ILE 26 3HD1 ILE 26 4.402 6.737 -2.192
183 HD12 ILE 26 1HD1 ILE 26 2.790 6.701 -1.463
184 HD13 ILE 26 2HD1 ILE 26 3.238 5.471 -2.649
185 H ARG 27 H ARG 27 3.462 6.388 3.466
186 HA ARG 27 HA ARG 27 5.818 7.581 4.697
187 HB2 ARG 27 2HB ARG 27 2.898 8.078 5.226
188 HB3 ARG 27 1HB ARG 27 4.214 8.927 6.017
189 HG2 ARG 27 2HG ARG 27 3.568 9.004 3.065
190 HG3 ARG 27 1HG ARG 27 3.190 10.260 4.235
191 HD2 ARG 27 2HD ARG 27 5.141 10.940 3.017
192 HD3 ARG 27 1HD ARG 27 5.641 10.505 4.648
193 HE ARG 27 HE ARG 27 5.909 8.255 3.041
194 HH11 ARG 27 1HH1 ARG 27 7.480 11.417 3.410
195 HH12 ARG 27 2HH1 ARG 27 8.942 10.896 2.710
196 HH21 ARG 27 1HH2 ARG 27 7.928 7.561 2.143
197 HH22 ARG 27 2HH2 ARG 27 9.195 8.702 1.969
198 H LEU 28 H LEU 28 3.807 4.863 5.331
199 HA LEU 28 HA LEU 28 4.645 4.987 8.117
200 HB2 LEU 28 2HB LEU 28 2.304 3.678 6.824
201 HB3 LEU 28 1HB LEU 28 2.975 2.928 8.242
202 HG LEU 28 HG LEU 28 1.066 4.320 8.770
203 HD11 LEU 28 1HD1 LEU 28 2.042 5.611 10.605
204 HD12 LEU 28 2HD1 LEU 28 3.635 5.451 9.875
205 HD13 LEU 28 3HD1 LEU 28 2.788 4.020 10.462
206 HD21 LEU 28 3HD2 LEU 28 1.258 6.033 7.047
207 HD22 LEU 28 1HD2 LEU 28 2.720 6.655 7.808
208 HD23 LEU 28 2HD2 LEU 28 1.170 6.773 8.644
209 H GLU 29 H GLU 29 4.283 2.445 5.627
210 HA GLU 29 HA GLU 29 6.518 1.212 7.024
211 HB2 GLU 29 2HB GLU 29 5.941 -0.907 6.035
212 HB3 GLU 29 1HB GLU 29 4.531 -0.220 6.817
213 HG2 GLU 29 2HG GLU 29 3.584 0.377 4.711
214 HG3 GLU 29 1HG GLU 29 5.063 -0.091 3.865
215 H LYS 30 H LYS 30 5.900 3.133 4.530
216 HA LYS 30 HA LYS 30 7.226 4.065 2.947
217 HB2 LYS 30 2HB LYS 30 9.362 2.157 3.937
218 HB3 LYS 30 1HB LYS 30 9.628 3.529 2.867
219 HG2 LYS 30 2HG LYS 30 9.007 5.076 4.600
220 HG3 LYS 30 1HG LYS 30 8.530 3.754 5.663
221 HD2 LYS 30 2HD LYS 30 10.689 4.566 6.343
222 HD3 LYS 30 1HD LYS 30 10.876 2.960 5.650
223 HE2 LYS 30 2HE LYS 30 11.581 3.994 3.525
224 HE3 LYS 30 1HE LYS 30 11.441 5.580 4.274
225 HZ1 LYS 30 3HZ LYS 30 13.144 4.907 5.880
226 HZ2 LYS 30 1HZ LYS 30 13.716 4.816 4.295
227 HZ3 LYS 30 2HZ LYS 30 13.291 3.415 5.118
228 H ALA 31 H ALA 31 5.478 2.032 2.336
229 HA ALA 31 HA ALA 31 6.533 0.113 0.517
230 HB1 ALA 31 1HB ALA 31 4.334 -0.131 1.597
231 HB2 ALA 31 2HB ALA 31 4.206 -0.205 -0.161
232 HB3 ALA 31 3HB ALA 31 3.754 1.271 0.695
233 H ARG 32 H ARG 32 5.569 0.198 -1.872
234 HA ARG 32 HA ARG 32 6.624 2.692 -2.966
235 HB2 ARG 32 2HB ARG 32 5.794 0.160 -4.371
236 HB3 ARG 32 1HB ARG 32 6.440 1.578 -5.168
237 HG2 ARG 32 2HG ARG 32 7.848 -0.137 -3.168
238 HG3 ARG 32 1HG ARG 32 8.112 -0.178 -4.914
239 HD2 ARG 32 2HD ARG 32 9.885 1.128 -4.176
240 HD3 ARG 32 1HD ARG 32 8.676 2.353 -4.554
241 HE ARG 32 HE ARG 32 8.636 1.395 -1.852
242 HH11 ARG 32 1HH1 ARG 32 9.977 3.849 -4.035
243 HH12 ARG 32 2HH1 ARG 32 10.344 4.944 -2.780
244 HH21 ARG 32 1HH2 ARG 32 9.150 2.919 -0.143
245 HH22 ARG 32 2HH2 ARG 32 9.871 4.411 -0.543
246 H HIS 33 H HIS 33 3.617 0.976 -2.648
247 HA HIS 33 HA HIS 33 2.187 3.239 -3.703
248 HB2 HIS 33 2HB HIS 33 2.946 1.814 -5.696
249 HB3 HIS 33 1HB HIS 33 1.934 0.535 -5.077
250 HD1 HIS 33 1HD HIS 33 1.784 3.853 -6.804
251 HD2 HIS 33 2HD HIS 33 -0.785 0.820 -5.601
252 HE1 HIS 33 1HE HIS 33 -0.382 4.279 -7.981
253 H GLY 34 H GLY 34 -0.265 2.564 -3.632
254 HA2 GLY 34 2HA GLY 34 -1.086 0.388 -2.073
255 HA3 GLY 34 1HA GLY 34 -1.104 1.896 -1.143
256 H SER 35 H SER 35 -3.319 0.220 -2.340
257 HA SER 35 HA SER 35 -4.844 2.447 -3.246
258 HB2 SER 35 2HB SER 35 -5.393 1.516 -5.510
259 HB3 SER 35 1HB SER 35 -3.722 2.052 -5.358
260 HG SER 35 HG SER 35 -4.600 -0.283 -6.130
261 H CYS 36 H CYS 36 -7.090 1.728 -3.927
262 HA CYS 36 HA CYS 36 -8.123 -0.108 -2.045
263 HB2 CYS 36 2HB CYS 36 -9.418 1.034 -4.541
264 HB3 CYS 36 1HB CYS 36 -10.262 0.233 -3.228
265 H ASN 37 H ASN 37 -7.706 -2.125 -2.215
266 HA ASN 37 HA ASN 37 -7.121 -3.355 -4.814
267 HB2 ASN 37 2HB ASN 37 -5.572 -3.721 -2.923
268 HB3 ASN 37 1HB ASN 37 -6.871 -4.495 -2.026
269 HD21 ASN 37 1HD2 ASN 37 -4.561 -4.814 -4.574
270 HD22 ASN 37 2HD2 ASN 37 -4.782 -6.513 -4.821
271 H TYR 38 H TYR 38 -9.415 -3.317 -2.300
272 HA TYR 38 HA TYR 38 -11.075 -5.272 -3.751
273 HB2 TYR 38 2HB TYR 38 -10.376 -5.719 -1.235
274 HB3 TYR 38 1HB TYR 38 -11.493 -4.414 -0.874
275 HD1 TYR 38 1HD TYR 38 -13.928 -4.711 -1.527
276 HD2 TYR 38 2HD TYR 38 -11.169 -7.930 -1.565
277 HE1 TYR 38 1HE TYR 38 -15.770 -6.222 -1.518
278 HE2 TYR 38 2HE TYR 38 -13.038 -9.523 -1.541
279 HH TYR 38 HH TYR 38 -15.421 -9.576 -0.888
280 H VAL 39 H VAL 39 -13.427 -4.645 -3.542
281 HA VAL 39 HA VAL 39 -13.553 -1.797 -4.132
282 HB VAL 39 HB VAL 39 -13.478 -3.470 -6.048
283 HG11 VAL 39 1HG1 VAL 39 -15.523 -4.586 -6.725
284 HG12 VAL 39 2HG1 VAL 39 -16.253 -4.134 -5.185
285 HG13 VAL 39 3HG1 VAL 39 -14.847 -5.197 -5.212
286 HG21 VAL 39 3HG2 VAL 39 -15.882 -1.642 -6.052
287 HG22 VAL 39 1HG2 VAL 39 -15.023 -2.281 -7.444
288 HG23 VAL 39 2HG2 VAL 39 -14.206 -1.158 -6.353
289 H PHE 40 H PHE 40 -16.086 -1.323 -4.283
290 HA PHE 40 HA PHE 40 -17.232 -1.344 -1.790
291 HB2 PHE 40 2HB PHE 40 -17.846 0.085 -3.788
292 HB3 PHE 40 1HB PHE 40 -18.716 -1.293 -4.441
293 HD1 PHE 40 2HD PHE 40 -18.651 1.276 -1.825
294 HD2 PHE 40 1HD PHE 40 -20.855 -1.931 -3.553
295 HE1 PHE 40 2HE PHE 40 -20.640 1.958 -0.556
296 HE2 PHE 40 1HE PHE 40 -22.831 -1.262 -2.291
297 HZ PHE 40 HZ PHE 40 -22.737 0.681 -0.788
298 HA PRO 41 HA PRO 41 -19.391 -1.524 -0.793
299 HB2 PRO 41 2HB PRO 41 -19.905 -3.302 1.421
300 HB3 PRO 41 1HB PRO 41 -21.058 -2.405 0.435
301 HG2 PRO 41 2HG PRO 41 -20.835 -5.128 0.379
302 HG3 PRO 41 1HG PRO 41 -21.398 -4.164 -0.998
303 HD2 PRO 41 2HD PRO 41 -18.670 -5.306 -0.477
304 HD3 PRO 41 1HD PRO 41 -19.611 -5.284 -1.984
305 H ALA 42 H ALA 42 -16.734 -3.586 -0.277
306 HA ALA 42 HA ALA 42 -15.918 -1.825 1.882
307 HB1 ALA 42 1HB ALA 42 -16.667 -3.902 2.888
308 HB2 ALA 42 2HB ALA 42 -14.939 -3.648 3.137
309 HB3 ALA 42 3HB ALA 42 -15.498 -4.791 1.915
310 H HIS 43 H HIS 43 -14.771 -0.747 0.194
311 HA HIS 43 HA HIS 43 -12.592 -1.877 -1.206
312 HB2 HIS 43 2HB HIS 43 -12.834 1.005 -0.256
313 HB3 HIS 43 1HB HIS 43 -11.690 0.352 -1.423
314 HD1 HIS 43 1HD HIS 43 -15.266 1.454 -1.106
315 HD2 HIS 43 2HD HIS 43 -12.629 0.017 -3.968
316 HE1 HIS 43 1HE HIS 43 -16.357 1.908 -3.339
317 H LYS 44 H LYS 44 -10.970 -2.851 -0.223
318 HA LYS 44 HA LYS 44 -9.930 -1.823 2.332
319 HB2 LYS 44 2HB LYS 44 -8.899 -4.232 0.826
320 HB3 LYS 44 1HB LYS 44 -8.732 -3.819 2.529
321 HG2 LYS 44 2HG LYS 44 -11.321 -4.642 1.203
322 HG3 LYS 44 1HG LYS 44 -10.269 -5.726 2.104
323 HD2 LYS 44 2HD LYS 44 -10.638 -4.459 4.112
324 HD3 LYS 44 1HD LYS 44 -11.623 -3.270 3.233
325 HE2 LYS 44 2HE LYS 44 -13.216 -5.035 2.701
326 HE3 LYS 44 1HE LYS 44 -12.209 -6.210 3.542
327 HZ1 LYS 44 3HZ LYS 44 -13.587 -3.887 4.798
328 HZ2 LYS 44 1HZ LYS 44 -12.578 -4.978 5.591
329 HZ3 LYS 44 2HZ LYS 44 -14.024 -5.506 4.934
330 H CYS 45 H CYS 45 -7.783 -0.939 2.386
331 HA CYS 45 HA CYS 45 -6.677 -0.521 -0.285
332 HB2 CYS 45 2HB CYS 45 -7.094 1.536 1.104
333 HB3 CYS 45 1HB CYS 45 -5.923 0.922 2.271
334 H ILE 46 H ILE 46 -4.834 -1.433 -0.792
335 HA ILE 46 HA ILE 46 -3.431 -2.833 1.355
336 HB ILE 46 HB ILE 46 -3.950 -3.873 -1.468
337 HG12 ILE 46 2HG1 ILE 46 -5.976 -3.995 -0.064
338 HG13 ILE 46 1HG1 ILE 46 -5.347 -5.591 -0.454
339 HG21 ILE 46 1HG2 ILE 46 -2.977 -5.968 -0.639
340 HG22 ILE 46 2HG2 ILE 46 -2.561 -5.148 0.861
341 HG23 ILE 46 3HG2 ILE 46 -1.816 -4.635 -0.656
342 HD11 ILE 46 3HD1 ILE 46 -4.377 -5.733 1.791
343 HD12 ILE 46 1HD1 ILE 46 -6.124 -5.491 1.843
344 HD13 ILE 46 2HD1 ILE 46 -5.039 -4.141 2.173
345 H CYS 47 H CYS 47 -1.171 -2.766 1.187
346 HA CYS 47 HA CYS 47 -0.210 -0.572 -0.442
347 HB2 CYS 47 2HB CYS 47 1.210 -2.185 1.698
348 HB3 CYS 47 1HB CYS 47 1.741 -0.654 1.016
349 H TYR 48 H TYR 48 1.820 -0.872 -1.674
350 HA TYR 48 HA TYR 48 2.132 -3.650 -2.594
351 HB2 TYR 48 2HB TYR 48 2.042 -1.188 -4.316
352 HB3 TYR 48 1HB TYR 48 2.519 -2.778 -4.884
353 HD1 TYR 48 1HD TYR 48 -0.296 -0.715 -3.727
354 HD2 TYR 48 2HD TYR 48 0.846 -4.491 -5.307
355 HE1 TYR 48 1HE TYR 48 -2.637 -1.204 -4.217
356 HE2 TYR 48 2HE TYR 48 -1.499 -4.999 -5.800
357 HH TYR 48 HH TYR 48 -3.919 -2.601 -5.699
358 H PHE 49 H PHE 49 4.101 -4.351 -3.134
359 HA PHE 49 HA PHE 49 6.384 -2.570 -2.754
360 HB2 PHE 49 2HB PHE 49 5.945 -5.356 -1.667
361 HB3 PHE 49 1HB PHE 49 7.549 -4.647 -1.797
362 HD1 PHE 49 1HD PHE 49 4.244 -4.291 -0.190
363 HD2 PHE 49 2HD PHE 49 8.320 -3.086 -0.229
364 HE1 PHE 49 1HE PHE 49 3.935 -3.180 1.975
365 HE2 PHE 49 2HE PHE 49 8.020 -1.978 1.934
366 HZ PHE 49 HZ PHE 49 5.823 -2.025 3.039
367 HA PRO 50 HA PRO 50 7.608 -4.338 -6.622
368 HB2 PRO 50 2HB PRO 50 10.151 -3.529 -6.752
369 HB3 PRO 50 1HB PRO 50 8.816 -2.372 -6.775
370 HG2 PRO 50 2HG PRO 50 10.689 -3.054 -4.567
371 HG3 PRO 50 1HG PRO 50 9.909 -1.510 -4.942
372 HD2 PRO 50 2HD PRO 50 9.044 -3.397 -2.992
373 HD3 PRO 50 1HD PRO 50 8.155 -1.991 -3.589
374 H CYS 51 H CYS 51 7.649 -6.534 -6.603
375 HA CYS 51 HA CYS 51 9.966 -7.816 -5.384
376 HB2 CYS 51 2HB CYS 51 7.529 -9.162 -6.534
377 HB3 CYS 51 1HB CYS 51 8.744 -9.871 -5.481
Start of MODEL 8
1 H1 GLN 1 1HT GLN 1 9.020 -5.531 -12.535
2 H2 GLN 1 2HT GLN 1 8.953 -7.184 -12.221
3 H3 GLN 1 3HT GLN 1 10.379 -6.341 -11.918
4 HA GLN 1 HA GLN 1 9.182 -6.815 -9.885
5 HB2 GLN 1 2HB GLN 1 8.989 -3.891 -10.623
6 HB3 GLN 1 1HB GLN 1 8.981 -4.549 -9.001
7 HG2 GLN 1 2HG GLN 1 11.283 -5.391 -9.392
8 HG3 GLN 1 1HG GLN 1 11.263 -4.565 -10.950
9 HE21 GLN 1 1HE2 GLN 1 12.949 -3.216 -10.350
10 HE22 GLN 1 2HE2 GLN 1 12.732 -1.909 -9.239
11 H LYS 2 H LYS 2 7.248 -7.565 -9.333
12 HA LYS 2 HA LYS 2 4.881 -6.380 -10.547
13 HB2 LYS 2 2HB LYS 2 5.237 -8.756 -8.717
14 HB3 LYS 2 1HB LYS 2 3.701 -8.209 -9.362
15 HG2 LYS 2 2HG LYS 2 4.506 -8.689 -11.627
16 HG3 LYS 2 1HG LYS 2 6.024 -9.282 -10.943
17 HD2 LYS 2 2HD LYS 2 4.820 -10.981 -9.693
18 HD3 LYS 2 1HD LYS 2 3.289 -10.362 -10.304
19 HE2 LYS 2 2HE LYS 2 3.955 -10.940 -12.573
20 HE3 LYS 2 1HE LYS 2 5.498 -11.548 -11.973
21 HZ1 LYS 2 3HZ LYS 2 2.854 -12.561 -11.152
22 HZ2 LYS 2 1HZ LYS 2 4.339 -13.217 -10.712
23 HZ3 LYS 2 2HZ LYS 2 3.811 -13.314 -12.316
24 H LEU 3 H LEU 3 3.153 -5.731 -9.102
25 HA LEU 3 HA LEU 3 4.261 -4.628 -6.663
26 HB2 LEU 3 2HB LEU 3 1.691 -4.057 -8.093
27 HB3 LEU 3 1HB LEU 3 2.170 -3.303 -6.596
28 HG LEU 3 HG LEU 3 3.585 -2.976 -9.241
29 HD11 LEU 3 1HD1 LEU 3 1.469 -1.812 -9.186
30 HD12 LEU 3 2HD1 LEU 3 2.796 -0.655 -9.073
31 HD13 LEU 3 3HD1 LEU 3 1.879 -1.087 -7.632
32 HD21 LEU 3 3HD2 LEU 3 4.140 -1.709 -6.551
33 HD22 LEU 3 1HD2 LEU 3 4.918 -1.269 -8.071
34 HD23 LEU 3 2HD2 LEU 3 5.172 -2.870 -7.387
35 H CYS 4 H CYS 4 4.211 -6.030 -5.220
36 HA CYS 4 HA CYS 4 2.032 -7.918 -4.945
37 HB2 CYS 4 2HB CYS 4 3.542 -8.846 -3.107
38 HB3 CYS 4 1HB CYS 4 4.149 -8.932 -4.760
39 H GLN 5 H GLN 5 0.371 -7.461 -3.777
40 HA GLN 5 HA GLN 5 0.457 -5.124 -2.135
41 HB2 GLN 5 2HB GLN 5 -2.008 -5.331 -2.058
42 HB3 GLN 5 1HB GLN 5 -1.333 -5.209 -3.661
43 HG2 GLN 5 2HG GLN 5 -1.623 -7.638 -3.953
44 HG3 GLN 5 1HG GLN 5 -2.362 -7.716 -2.351
45 HE21 GLN 5 1HE2 GLN 5 -4.415 -6.867 -2.056
46 HE22 GLN 5 2HE2 GLN 5 -5.455 -6.443 -3.366
47 H ARG 6 H ARG 6 -0.115 -4.882 -0.097
48 HA ARG 6 HA ARG 6 -0.338 -7.223 1.665
49 HB2 ARG 6 2HB ARG 6 2.041 -6.517 1.707
50 HB3 ARG 6 1HB ARG 6 1.544 -4.867 2.074
51 HG2 ARG 6 2HG ARG 6 0.313 -6.010 4.082
52 HG3 ARG 6 1HG ARG 6 1.493 -7.290 3.777
53 HD2 ARG 6 2HD ARG 6 2.251 -4.413 4.235
54 HD3 ARG 6 1HD ARG 6 2.100 -5.576 5.537
55 HE ARG 6 HE ARG 6 3.831 -6.626 3.629
56 HH11 ARG 6 1HH1 ARG 6 3.709 -3.798 5.762
57 HH12 ARG 6 2HH1 ARG 6 5.373 -3.834 6.141
58 HH21 ARG 6 1HH2 ARG 6 6.202 -6.632 4.157
59 HH22 ARG 6 2HH2 ARG 6 6.775 -5.448 5.239
60 HA PRO 7 HA PRO 7 -3.377 -4.158 3.203
61 HB2 PRO 7 2HB PRO 7 -4.177 -6.282 5.063
62 HB3 PRO 7 1HB PRO 7 -5.142 -5.511 3.802
63 HG2 PRO 7 2HG PRO 7 -4.317 -8.079 3.627
64 HG3 PRO 7 1HG PRO 7 -4.517 -7.043 2.204
65 HD2 PRO 7 2HD PRO 7 -2.009 -7.802 3.660
66 HD3 PRO 7 1HD PRO 7 -2.312 -7.681 1.909
67 H SER 8 H SER 8 -2.257 -2.729 4.474
68 HA SER 8 HA SER 8 -0.476 -3.668 6.485
69 HB2 SER 8 2HB SER 8 0.023 -1.265 6.768
70 HB3 SER 8 1HB SER 8 0.197 -1.831 5.108
71 HG SER 8 HG SER 8 -1.154 -0.388 4.576
72 H GLY 9 H GLY 9 -0.451 -2.835 8.671
73 HA2 GLY 9 2HA GLY 9 -3.056 -2.922 9.882
74 HA3 GLY 9 1HA GLY 9 -1.510 -2.778 10.721
75 H THR 10 H THR 10 -0.761 -0.551 8.914
76 HA THR 10 HA THR 10 -1.804 1.542 10.496
77 HB THR 10 HB THR 10 0.494 1.713 9.706
78 HG1 THR 10 1HG THR 10 -0.180 3.663 10.032
79 HG21 THR 10 3HG2 THR 10 -0.625 1.916 6.897
80 HG22 THR 10 1HG2 THR 10 0.325 0.580 7.550
81 HG23 THR 10 2HG2 THR 10 1.066 2.159 7.349
82 H TRP 11 H TRP 11 -2.410 0.531 7.144
83 HA TRP 11 HA TRP 11 -4.198 2.415 6.295
84 HB2 TRP 11 2HB TRP 11 -3.807 0.880 4.633
85 HB3 TRP 11 1HB TRP 11 -3.783 -0.475 5.748
86 HD1 TRP 11 HD TRP 11 -6.485 1.839 4.115
87 HE1 TRP 11 1HE TRP 11 -8.594 0.405 3.765
88 HE3 TRP 11 3HE TRP 11 -4.814 -2.551 6.070
89 HZ2 TRP 11 2HZ TRP 11 -9.398 -2.205 4.201
90 HZ3 TRP 11 3HZ TRP 11 -6.313 -4.508 6.043
91 HH2 TRP 11 HH TRP 11 -8.554 -4.346 5.131
92 H SER 12 H SER 12 -6.194 3.062 6.745
93 HA SER 12 HA SER 12 -7.600 1.812 8.954
94 HB2 SER 12 2HB SER 12 -7.227 4.303 8.912
95 HB3 SER 12 1HB SER 12 -8.189 4.389 7.441
96 HG SER 12 HG SER 12 -9.033 3.530 9.995
97 H GLY 13 H GLY 13 -9.357 0.637 8.628
98 HA2 GLY 13 2HA GLY 13 -9.829 -0.961 6.575
99 HA3 GLY 13 1HA GLY 13 -11.118 -0.475 7.642
100 H VAL 14 H VAL 14 -11.616 2.116 6.749
101 HA VAL 14 HA VAL 14 -12.850 1.513 4.184
102 HB VAL 14 HB VAL 14 -13.200 3.949 5.962
103 HG11 VAL 14 1HG1 VAL 14 -15.204 4.415 4.635
104 HG12 VAL 14 2HG1 VAL 14 -14.838 3.035 3.600
105 HG13 VAL 14 3HG1 VAL 14 -13.751 4.422 3.633
106 HG21 VAL 14 3HG2 VAL 14 -13.977 1.940 7.071
107 HG22 VAL 14 1HG2 VAL 14 -14.938 1.509 5.655
108 HG23 VAL 14 2HG2 VAL 14 -15.343 2.949 6.588
109 H CYS 15 H CYS 15 -12.206 2.380 2.314
110 HA CYS 15 HA CYS 15 -9.765 3.870 2.193
111 HB2 CYS 15 2HB CYS 15 -10.187 2.289 0.433
112 HB3 CYS 15 1HB CYS 15 -11.737 3.024 0.060
113 H GLY 16 H GLY 16 -9.522 6.007 2.180
114 HA2 GLY 16 2HA GLY 16 -11.932 7.649 1.857
115 HA3 GLY 16 1HA GLY 16 -10.489 8.108 2.767
116 H ASN 17 H ASN 17 -8.498 8.240 1.490
117 HA ASN 17 HA ASN 17 -9.046 9.260 -1.207
118 HB2 ASN 17 2HB ASN 17 -7.127 10.401 0.851
119 HB3 ASN 17 1HB ASN 17 -7.192 10.909 -0.830
120 HD21 ASN 17 1HD2 ASN 17 -8.737 11.043 2.280
121 HD22 ASN 17 2HD2 ASN 17 -9.871 12.272 1.867
122 H ASN 18 H ASN 18 -7.899 8.311 -2.704
123 HA ASN 18 HA ASN 18 -6.397 6.010 -2.158
124 HB2 ASN 18 2HB ASN 18 -6.378 7.642 -4.709
125 HB3 ASN 18 1HB ASN 18 -5.769 6.008 -4.536
126 HD21 ASN 18 1HD2 ASN 18 -8.105 5.217 -2.801
127 HD22 ASN 18 2HD2 ASN 18 -9.412 5.082 -3.899
128 H ASN 19 H ASN 19 -5.343 9.261 -3.046
129 HA ASN 19 HA ASN 19 -2.585 8.517 -3.048
130 HB2 ASN 19 2HB ASN 19 -3.922 11.210 -3.219
131 HB3 ASN 19 1HB ASN 19 -2.177 11.027 -3.194
132 HD21 ASN 19 1HD2 ASN 19 -3.869 12.102 -5.260
133 HD22 ASN 19 2HD2 ASN 19 -3.573 11.161 -6.677
134 H ALA 20 H ALA 20 -4.696 9.089 -0.567
135 HA ALA 20 HA ALA 20 -2.688 10.236 1.199
136 HB1 ALA 20 1HB ALA 20 -5.514 9.368 1.818
137 HB2 ALA 20 2HB ALA 20 -5.017 11.011 1.413
138 HB3 ALA 20 3HB ALA 20 -4.442 10.255 2.900
139 H CYS 21 H CYS 21 -4.575 7.231 0.861
140 HA CYS 21 HA CYS 21 -3.157 5.997 3.002
141 HB2 CYS 21 2HB CYS 21 -4.356 3.947 2.351
142 HB3 CYS 21 1HB CYS 21 -5.449 5.317 2.495
143 H LYS 22 H LYS 22 -2.899 5.998 -0.506
144 HA LYS 22 HA LYS 22 -0.936 4.109 -0.993
145 HB2 LYS 22 2HB LYS 22 -2.089 5.451 -2.698
146 HB3 LYS 22 1HB LYS 22 -1.237 6.891 -2.168
147 HG2 LYS 22 2HG LYS 22 0.878 5.798 -2.914
148 HG3 LYS 22 1HG LYS 22 -0.094 4.473 -3.556
149 HD2 LYS 22 2HD LYS 22 -0.307 7.382 -4.394
150 HD3 LYS 22 1HD LYS 22 0.470 6.097 -5.310
151 HE2 LYS 22 2HE LYS 22 -1.661 4.962 -5.594
152 HE3 LYS 22 1HE LYS 22 -2.462 6.150 -4.568
153 HZ1 LYS 22 3HZ LYS 22 -2.777 6.537 -6.972
154 HZ2 LYS 22 1HZ LYS 22 -1.129 6.828 -7.140
155 HZ3 LYS 22 2HZ LYS 22 -2.088 7.839 -6.186
156 H ASN 23 H ASN 23 -0.530 7.557 -0.237
157 HA ASN 23 HA ASN 23 2.227 7.579 0.060
158 HB2 ASN 23 2HB ASN 23 1.003 9.619 -0.285
159 HB3 ASN 23 1HB ASN 23 0.048 9.352 1.165
160 HD21 ASN 23 1HD2 ASN 23 0.916 9.865 3.154
161 HD22 ASN 23 2HD2 ASN 23 2.380 10.740 3.302
162 H GLN 24 H GLN 24 -0.408 7.061 2.357
163 HA GLN 24 HA GLN 24 1.067 7.052 4.714
164 HB2 GLN 24 2HB GLN 24 -1.436 7.066 4.513
165 HB3 GLN 24 1HB GLN 24 -1.349 5.358 4.113
166 HG2 GLN 24 2HG GLN 24 -0.342 4.898 6.280
167 HG3 GLN 24 1HG GLN 24 -0.440 6.606 6.690
168 HE21 GLN 24 1HE2 GLN 24 -1.601 4.429 8.053
169 HE22 GLN 24 2HE2 GLN 24 -3.300 4.627 8.048
170 H CYS 25 H CYS 25 0.442 4.446 2.384
171 HA CYS 25 HA CYS 25 1.627 2.412 3.939
172 HB2 CYS 25 2HB CYS 25 1.302 2.720 0.947
173 HB3 CYS 25 1HB CYS 25 1.888 1.247 1.724
174 H ILE 26 H ILE 26 2.779 4.456 1.338
175 HA ILE 26 HA ILE 26 5.389 3.485 1.073
176 HB ILE 26 HB ILE 26 4.179 6.175 0.398
177 HG12 ILE 26 2HG1 ILE 26 4.752 3.859 -1.431
178 HG13 ILE 26 1HG1 ILE 26 3.228 4.021 -0.567
179 HG21 ILE 26 1HG2 ILE 26 6.758 4.946 -0.609
180 HG22 ILE 26 2HG2 ILE 26 6.633 6.340 0.464
181 HG23 ILE 26 3HG2 ILE 26 6.031 6.446 -1.190
182 HD11 ILE 26 3HD1 ILE 26 4.351 6.041 -2.484
183 HD12 ILE 26 1HD1 ILE 26 2.816 6.094 -1.606
184 HD13 ILE 26 2HD1 ILE 26 3.079 4.846 -2.833
185 H ARG 27 H ARG 27 4.045 5.858 3.228
186 HA ARG 27 HA ARG 27 6.692 6.648 4.107
187 HB2 ARG 27 2HB ARG 27 4.020 7.454 5.195
188 HB3 ARG 27 1HB ARG 27 5.559 8.233 5.585
189 HG2 ARG 27 2HG ARG 27 4.013 8.262 3.001
190 HG3 ARG 27 1HG ARG 27 4.388 9.621 4.053
191 HD2 ARG 27 2HD ARG 27 6.740 9.455 3.458
192 HD3 ARG 27 1HD ARG 27 6.400 8.012 2.498
193 HE ARG 27 HE ARG 27 4.774 10.115 1.621
194 HH11 ARG 27 1HH1 ARG 27 8.126 8.997 1.445
195 HH12 ARG 27 2HH1 ARG 27 8.489 9.870 0.033
196 HH21 ARG 27 1HH2 ARG 27 5.262 11.296 -0.350
197 HH22 ARG 27 2HH2 ARG 27 6.814 11.190 -1.020
198 H LEU 28 H LEU 28 4.147 4.482 5.165
199 HA LEU 28 HA LEU 28 5.331 4.454 7.817
200 HB2 LEU 28 2HB LEU 28 2.700 3.484 6.772
201 HB3 LEU 28 1HB LEU 28 3.347 2.721 8.195
202 HG LEU 28 HG LEU 28 1.745 4.435 8.796
203 HD11 LEU 28 1HD1 LEU 28 3.061 5.685 10.372
204 HD12 LEU 28 2HD1 LEU 28 4.534 5.281 9.503
205 HD13 LEU 28 3HD1 LEU 28 3.600 4.009 10.294
206 HD21 LEU 28 3HD2 LEU 28 2.185 6.821 8.409
207 HD22 LEU 28 1HD2 LEU 28 1.974 5.949 6.890
208 HD23 LEU 28 2HD2 LEU 28 3.591 6.398 7.431
209 H GLU 29 H GLU 29 4.260 1.958 5.554
210 HA GLU 29 HA GLU 29 6.303 0.342 6.802
211 HB2 GLU 29 2HB GLU 29 5.268 -1.602 5.556
212 HB3 GLU 29 1HB GLU 29 4.319 -0.888 6.841
213 HG2 GLU 29 2HG GLU 29 2.949 0.268 5.213
214 HG3 GLU 29 1HG GLU 29 3.940 -0.381 3.901
215 H LYS 30 H LYS 30 5.899 2.295 4.368
216 HA LYS 30 HA LYS 30 7.143 2.981 2.699
217 HB2 LYS 30 2HB LYS 30 9.251 1.274 4.022
218 HB3 LYS 30 1HB LYS 30 9.580 2.453 2.751
219 HG2 LYS 30 2HG LYS 30 8.880 4.268 4.107
220 HG3 LYS 30 1HG LYS 30 8.156 3.193 5.295
221 HD2 LYS 30 2HD LYS 30 10.384 2.385 5.901
222 HD3 LYS 30 1HD LYS 30 11.099 3.475 4.711
223 HE2 LYS 30 2HE LYS 30 11.176 4.357 7.036
224 HE3 LYS 30 1HE LYS 30 10.312 5.409 5.920
225 HZ1 LYS 30 3HZ LYS 30 8.235 4.687 6.815
226 HZ2 LYS 30 1HZ LYS 30 9.199 5.122 8.104
227 HZ3 LYS 30 2HZ LYS 30 8.939 3.490 7.759
228 H ALA 31 H ALA 31 5.533 1.773 1.640
229 HA ALA 31 HA ALA 31 6.460 -0.451 0.016
230 HB1 ALA 31 1HB ALA 31 4.140 -0.443 -0.827
231 HB2 ALA 31 2HB ALA 31 3.804 0.995 0.136
232 HB3 ALA 31 3HB ALA 31 4.190 -0.529 0.935
233 H ARG 32 H ARG 32 5.518 -0.046 -2.414
234 HA ARG 32 HA ARG 32 6.850 2.420 -3.287
235 HB2 ARG 32 2HB ARG 32 6.081 -0.076 -4.786
236 HB3 ARG 32 1HB ARG 32 6.667 1.371 -5.579
237 HG2 ARG 32 2HG ARG 32 8.181 -0.244 -3.547
238 HG3 ARG 32 1HG ARG 32 8.398 -0.337 -5.296
239 HD2 ARG 32 2HD ARG 32 8.990 2.101 -5.250
240 HD3 ARG 32 1HD ARG 32 8.948 2.016 -3.489
241 HE ARG 32 HE ARG 32 10.618 0.049 -4.725
242 HH11 ARG 32 1HH1 ARG 32 10.556 3.371 -3.484
243 HH12 ARG 32 2HH1 ARG 32 12.233 3.437 -3.221
244 HH21 ARG 32 1HH2 ARG 32 12.943 0.183 -4.377
245 HH22 ARG 32 2HH2 ARG 32 13.608 1.620 -3.760
246 H HIS 33 H HIS 33 3.766 0.870 -3.082
247 HA HIS 33 HA HIS 33 2.514 3.171 -4.260
248 HB2 HIS 33 2HB HIS 33 3.173 1.718 -6.178
249 HB3 HIS 33 1HB HIS 33 2.254 0.399 -5.494
250 HD1 HIS 33 1HD HIS 33 1.569 3.978 -6.643
251 HD2 HIS 33 2HD HIS 33 -0.156 0.203 -6.624
252 HE1 HIS 33 1HE HIS 33 -0.611 4.202 -7.856
253 H GLY 34 H GLY 34 -0.004 2.622 -4.241
254 HA2 GLY 34 2HA GLY 34 -0.927 0.692 -2.380
255 HA3 GLY 34 1HA GLY 34 -0.931 2.318 -1.721
256 H SER 35 H SER 35 -3.168 0.507 -2.691
257 HA SER 35 HA SER 35 -4.599 2.586 -4.099
258 HB2 SER 35 2HB SER 35 -4.081 -0.086 -5.406
259 HB3 SER 35 1HB SER 35 -5.296 1.069 -5.946
260 HG SER 35 HG SER 35 -2.869 2.208 -5.596
261 H CYS 36 H CYS 36 -6.867 2.213 -4.155
262 HA CYS 36 HA CYS 36 -7.695 0.361 -2.112
263 HB2 CYS 36 2HB CYS 36 -9.281 2.494 -3.571
264 HB3 CYS 36 1HB CYS 36 -9.840 1.513 -2.211
265 H ASN 37 H ASN 37 -7.530 -1.487 -2.856
266 HA ASN 37 HA ASN 37 -8.351 -2.308 -5.492
267 HB2 ASN 37 2HB ASN 37 -6.339 -3.227 -4.340
268 HB3 ASN 37 1HB ASN 37 -7.371 -3.863 -3.079
269 HD21 ASN 37 1HD2 ASN 37 -8.149 -4.018 -6.553
270 HD22 ASN 37 2HD2 ASN 37 -7.998 -5.725 -6.638
271 H TYR 38 H TYR 38 -10.330 -3.138 -5.949
272 HA TYR 38 HA TYR 38 -12.247 -3.170 -3.816
273 HB2 TYR 38 2HB TYR 38 -12.847 -2.365 -6.143
274 HB3 TYR 38 1HB TYR 38 -12.737 -4.036 -6.683
275 HD1 TYR 38 2HD TYR 38 -14.312 -5.756 -5.611
276 HD2 TYR 38 1HD TYR 38 -14.809 -1.561 -5.117
277 HE1 TYR 38 2HE TYR 38 -16.600 -6.126 -4.873
278 HE2 TYR 38 1HE TYR 38 -17.115 -1.925 -4.377
279 HH TYR 38 HH TYR 38 -18.267 -4.914 -3.450
280 H VAL 39 H VAL 39 -12.257 -4.717 -2.527
281 HA VAL 39 HA VAL 39 -12.234 -7.455 -3.519
282 HB VAL 39 HB VAL 39 -11.221 -8.125 -1.324
283 HG11 VAL 39 1HG1 VAL 39 -8.921 -7.382 -1.769
284 HG12 VAL 39 2HG1 VAL 39 -9.543 -6.174 -2.893
285 HG13 VAL 39 3HG1 VAL 39 -9.753 -7.889 -3.240
286 HG21 VAL 39 3HG2 VAL 39 -10.812 -5.159 -0.917
287 HG22 VAL 39 1HG2 VAL 39 -10.158 -6.437 0.108
288 HG23 VAL 39 2HG2 VAL 39 -11.902 -6.191 0.008
289 H PHE 40 H PHE 40 -13.197 -8.630 -1.202
290 HA PHE 40 HA PHE 40 -15.795 -7.508 -1.234
291 HB2 PHE 40 2HB PHE 40 -15.409 -9.973 -1.090
292 HB3 PHE 40 1HB PHE 40 -14.730 -9.733 0.513
293 HD1 PHE 40 1HD PHE 40 -17.846 -9.095 -1.416
294 HD2 PHE 40 2HD PHE 40 -16.095 -9.956 2.362
295 HE1 PHE 40 1HE PHE 40 -20.082 -9.348 -0.444
296 HE2 PHE 40 2HE PHE 40 -18.332 -10.206 3.338
297 HZ PHE 40 HZ PHE 40 -20.328 -9.906 1.937
298 HA PRO 41 HA PRO 41 -17.268 -6.651 -0.559
299 HB2 PRO 41 2HB PRO 41 -18.944 -5.205 0.866
300 HB3 PRO 41 1HB PRO 41 -18.518 -6.844 1.374
301 HG2 PRO 41 2HG PRO 41 -17.768 -4.262 2.592
302 HG3 PRO 41 1HG PRO 41 -17.770 -5.878 3.315
303 HD2 PRO 41 2HD PRO 41 -15.557 -4.399 2.107
304 HD3 PRO 41 1HD PRO 41 -15.507 -5.907 3.049
305 H ALA 42 H ALA 42 -14.963 -4.435 -0.343
306 HA ALA 42 HA ALA 42 -16.220 -2.405 -1.908
307 HB1 ALA 42 1HB ALA 42 -17.031 -1.749 0.305
308 HB2 ALA 42 2HB ALA 42 -15.877 -0.566 -0.316
309 HB3 ALA 42 3HB ALA 42 -15.376 -1.728 0.910
310 H HIS 43 H HIS 43 -14.583 -0.443 -1.946
311 HA HIS 43 HA HIS 43 -12.029 -1.432 -2.795
312 HB2 HIS 43 2HB HIS 43 -13.086 1.394 -2.468
313 HB3 HIS 43 1HB HIS 43 -11.485 1.010 -3.074
314 HD1 HIS 43 1HD HIS 43 -14.908 1.566 -4.225
315 HD2 HIS 43 2HD HIS 43 -11.523 -0.466 -5.510
316 HE1 HIS 43 1HE HIS 43 -15.262 1.117 -6.679
317 H LYS 44 H LYS 44 -10.505 -1.981 -1.394
318 HA LYS 44 HA LYS 44 -10.284 -0.371 1.049
319 HB2 LYS 44 2HB LYS 44 -9.632 -3.316 0.717
320 HB3 LYS 44 1HB LYS 44 -9.529 -2.370 2.206
321 HG2 LYS 44 2HG LYS 44 -11.930 -2.020 2.200
322 HG3 LYS 44 1HG LYS 44 -12.082 -2.846 0.658
323 HD2 LYS 44 2HD LYS 44 -12.796 -4.363 2.347
324 HD3 LYS 44 1HD LYS 44 -11.211 -4.911 1.809
325 HE2 LYS 44 2HE LYS 44 -11.430 -5.027 4.221
326 HE3 LYS 44 1HE LYS 44 -10.180 -3.887 3.750
327 HZ1 LYS 44 3HZ LYS 44 -12.961 -3.165 4.525
328 HZ2 LYS 44 1HZ LYS 44 -11.757 -2.052 4.200
329 HZ3 LYS 44 2HZ LYS 44 -11.662 -3.052 5.553
330 H CYS 45 H CYS 45 -8.218 0.345 1.575
331 HA CYS 45 HA CYS 45 -6.477 0.433 -0.718
332 HB2 CYS 45 2HB CYS 45 -7.064 2.411 0.820
333 HB3 CYS 45 1HB CYS 45 -5.901 1.696 1.936
334 H ILE 46 H ILE 46 -5.054 -0.940 -1.095
335 HA ILE 46 HA ILE 46 -3.859 -2.385 1.150
336 HB ILE 46 HB ILE 46 -3.947 -3.320 -1.745
337 HG12 ILE 46 2HG1 ILE 46 -6.278 -3.137 -0.983
338 HG13 ILE 46 1HG1 ILE 46 -5.776 -4.817 -1.162
339 HG21 ILE 46 1HG2 ILE 46 -3.523 -4.762 0.855
340 HG22 ILE 46 2HG2 ILE 46 -2.264 -4.336 -0.295
341 HG23 ILE 46 3HG2 ILE 46 -3.521 -5.511 -0.736
342 HD11 ILE 46 3HD1 ILE 46 -5.532 -5.005 1.264
343 HD12 ILE 46 1HD1 ILE 46 -7.163 -4.494 0.822
344 HD13 ILE 46 2HD1 ILE 46 -6.010 -3.316 1.445
345 H CYS 47 H CYS 47 -1.598 -2.412 1.179
346 HA CYS 47 HA CYS 47 -0.322 -0.308 -0.323
347 HB2 CYS 47 2HB CYS 47 0.780 -2.239 1.718
348 HB3 CYS 47 1HB CYS 47 1.529 -0.738 1.179
349 H TYR 48 H TYR 48 1.359 -0.651 -1.781
350 HA TYR 48 HA TYR 48 1.582 -3.412 -2.722
351 HB2 TYR 48 2HB TYR 48 1.305 -0.860 -4.263
352 HB3 TYR 48 1HB TYR 48 1.999 -2.292 -5.008
353 HD1 TYR 48 1HD TYR 48 -1.080 -0.870 -3.483
354 HD2 TYR 48 2HD TYR 48 0.542 -4.066 -5.776
355 HE1 TYR 48 1HE TYR 48 -3.345 -1.630 -4.036
356 HE2 TYR 48 2HE TYR 48 -1.698 -4.817 -6.329
357 HH TYR 48 HH TYR 48 -3.943 -4.673 -5.430
358 H PHE 49 H PHE 49 3.471 -4.221 -2.530
359 HA PHE 49 HA PHE 49 5.819 -2.521 -2.306
360 HB2 PHE 49 2HB PHE 49 5.166 -5.329 -1.435
361 HB3 PHE 49 1HB PHE 49 6.826 -4.761 -1.496
362 HD1 PHE 49 2HD PHE 49 7.590 -3.010 -0.014
363 HD2 PHE 49 1HD PHE 49 3.625 -4.586 0.323
364 HE1 PHE 49 2HE PHE 49 7.366 -2.010 2.206
365 HE2 PHE 49 1HE PHE 49 3.431 -3.565 2.520
366 HZ PHE 49 HZ PHE 49 5.282 -2.293 3.469
367 HA PRO 50 HA PRO 50 7.272 -4.315 -6.120
368 HB2 PRO 50 2HB PRO 50 9.924 -3.987 -5.926
369 HB3 PRO 50 1HB PRO 50 8.830 -2.607 -6.060
370 HG2 PRO 50 2HG PRO 50 10.272 -3.651 -3.683
371 HG3 PRO 50 1HG PRO 50 9.829 -1.985 -4.088
372 HD2 PRO 50 2HD PRO 50 8.449 -3.711 -2.319
373 HD3 PRO 50 1HD PRO 50 7.868 -2.164 -2.948
374 H CYS 51 H CYS 51 7.338 -6.377 -6.648
375 HA CYS 51 HA CYS 51 9.189 -8.150 -5.275
376 HB2 CYS 51 2HB CYS 51 6.288 -8.679 -5.945
377 HB3 CYS 51 1HB CYS 51 7.433 -9.978 -5.640
Start of MODEL 9
1 H1 GLN 1 1HT GLN 1 9.582 -3.223 -12.221
2 H2 GLN 1 2HT GLN 1 9.573 -4.802 -12.830
3 H3 GLN 1 3HT GLN 1 10.970 -4.201 -12.111
4 HA GLN 1 HA GLN 1 9.781 -5.728 -10.683
5 HB2 GLN 1 2HB GLN 1 9.547 -2.854 -9.751
6 HB3 GLN 1 1HB GLN 1 9.499 -4.267 -8.710
7 HG2 GLN 1 2HG GLN 1 11.807 -4.791 -9.331
8 HG3 GLN 1 1HG GLN 1 11.848 -3.356 -10.357
9 HE21 GLN 1 1HE2 GLN 1 11.837 -4.558 -7.080
10 HE22 GLN 1 2HE2 GLN 1 12.289 -3.081 -6.346
11 H LYS 2 H LYS 2 7.856 -6.517 -9.971
12 HA LYS 2 HA LYS 2 5.505 -5.175 -11.045
13 HB2 LYS 2 2HB LYS 2 5.876 -7.943 -9.863
14 HB3 LYS 2 1HB LYS 2 4.383 -7.320 -10.555
15 HG2 LYS 2 2HG LYS 2 5.377 -7.191 -12.737
16 HG3 LYS 2 1HG LYS 2 6.954 -7.613 -12.088
17 HD2 LYS 2 2HD LYS 2 6.113 -9.569 -13.129
18 HD3 LYS 2 1HD LYS 2 5.960 -9.829 -11.400
19 HE2 LYS 2 2HE LYS 2 3.702 -8.964 -13.221
20 HE3 LYS 2 1HE LYS 2 4.023 -10.627 -12.766
21 HZ1 LYS 2 3HZ LYS 2 3.073 -8.412 -11.033
22 HZ2 LYS 2 1HZ LYS 2 3.666 -9.868 -10.403
23 HZ3 LYS 2 2HZ LYS 2 2.335 -9.860 -11.399
24 H LEU 3 H LEU 3 3.556 -5.532 -9.424
25 HA LEU 3 HA LEU 3 4.522 -4.739 -6.771
26 HB2 LEU 3 2HB LEU 3 2.022 -3.871 -8.214
27 HB3 LEU 3 1HB LEU 3 2.438 -3.453 -6.568
28 HG LEU 3 HG LEU 3 4.009 -2.613 -9.006
29 HD11 LEU 3 1HD1 LEU 3 2.098 -1.064 -7.269
30 HD12 LEU 3 2HD1 LEU 3 1.825 -1.555 -8.941
31 HD13 LEU 3 3HD1 LEU 3 3.095 -0.393 -8.558
32 HD21 LEU 3 3HD2 LEU 3 4.249 -1.807 -6.102
33 HD22 LEU 3 1HD2 LEU 3 5.150 -1.098 -7.442
34 HD23 LEU 3 2HD2 LEU 3 5.406 -2.785 -7.008
35 H CYS 4 H CYS 4 3.895 -5.943 -5.144
36 HA CYS 4 HA CYS 4 1.676 -7.839 -5.530
37 HB2 CYS 4 2HB CYS 4 3.908 -7.851 -3.481
38 HB3 CYS 4 1HB CYS 4 2.671 -9.088 -3.651
39 H GLN 5 H GLN 5 -0.087 -7.627 -4.218
40 HA GLN 5 HA GLN 5 -0.011 -5.277 -2.532
41 HB2 GLN 5 2HB GLN 5 -2.487 -5.387 -2.547
42 HB3 GLN 5 1HB GLN 5 -1.750 -5.159 -4.116
43 HG2 GLN 5 2HG GLN 5 -2.132 -7.491 -4.654
44 HG3 GLN 5 1HG GLN 5 -2.829 -7.744 -3.051
45 HE21 GLN 5 1HE2 GLN 5 -4.811 -6.897 -2.579
46 HE22 GLN 5 2HE2 GLN 5 -5.901 -6.339 -3.795
47 H ARG 6 H ARG 6 -0.383 -5.204 -0.490
48 HA ARG 6 HA ARG 6 -0.874 -7.662 1.003
49 HB2 ARG 6 2HB ARG 6 1.515 -7.446 0.920
50 HB3 ARG 6 1HB ARG 6 1.425 -5.735 1.296
51 HG2 ARG 6 2HG ARG 6 0.561 -6.305 3.535
52 HG3 ARG 6 1HG ARG 6 0.756 -8.015 3.145
53 HD2 ARG 6 2HD ARG 6 3.126 -7.734 2.876
54 HD3 ARG 6 1HD ARG 6 2.983 -5.991 3.073
55 HE ARG 6 HE ARG 6 1.915 -7.248 5.322
56 HH11 ARG 6 1HH1 ARG 6 5.065 -6.728 3.783
57 HH12 ARG 6 2HH1 ARG 6 5.937 -6.737 5.237
58 HH21 ARG 6 1HH2 ARG 6 3.148 -7.317 7.350
59 HH22 ARG 6 2HH2 ARG 6 4.834 -7.124 7.255
60 HA PRO 7 HA PRO 7 -3.477 -4.561 3.099
61 HB2 PRO 7 2HB PRO 7 -4.041 -6.885 4.842
62 HB3 PRO 7 1HB PRO 7 -5.179 -5.865 3.957
63 HG2 PRO 7 2HG PRO 7 -4.692 -8.377 3.178
64 HG3 PRO 7 1HG PRO 7 -4.944 -7.082 1.995
65 HD2 PRO 7 2HD PRO 7 -2.380 -8.334 2.907
66 HD3 PRO 7 1HD PRO 7 -2.896 -7.864 1.271
67 H SER 8 H SER 8 -2.836 -3.320 4.788
68 HA SER 8 HA SER 8 -0.733 -4.389 6.520
69 HB2 SER 8 2HB SER 8 -1.080 -1.625 5.389
70 HB3 SER 8 1HB SER 8 0.201 -2.114 6.493
71 HG SER 8 HG SER 8 0.384 -2.127 4.038
72 H GLY 9 H GLY 9 -0.546 -3.289 8.632
73 HA2 GLY 9 2HA GLY 9 -3.161 -2.994 9.818
74 HA3 GLY 9 1HA GLY 9 -1.633 -3.077 10.673
75 H THR 10 H THR 10 -0.816 -0.935 8.546
76 HA THR 10 HA THR 10 -1.178 1.331 10.190
77 HB THR 10 HB THR 10 -0.233 2.428 8.087
78 HG1 THR 10 1HG THR 10 0.744 0.449 6.810
79 HG21 THR 10 3HG2 THR 10 1.196 1.825 9.934
80 HG22 THR 10 1HG2 THR 10 1.990 1.320 8.447
81 HG23 THR 10 2HG2 THR 10 1.168 0.131 9.470
82 H TRP 11 H TRP 11 -2.424 0.274 7.141
83 HA TRP 11 HA TRP 11 -4.401 2.246 6.770
84 HB2 TRP 11 2HB TRP 11 -4.082 1.103 4.779
85 HB3 TRP 11 1HB TRP 11 -3.868 -0.447 5.583
86 HD1 TRP 11 HD TRP 11 -6.781 1.972 4.640
87 HE1 TRP 11 1HE TRP 11 -8.920 0.519 4.374
88 HE3 TRP 11 3HE TRP 11 -4.858 -2.587 5.893
89 HZ2 TRP 11 2HZ TRP 11 -9.635 -2.148 4.630
90 HZ3 TRP 11 3HZ TRP 11 -6.328 -4.553 5.836
91 HH2 TRP 11 HH TRP 11 -8.676 -4.339 5.220
92 H SER 12 H SER 12 -6.530 2.379 7.392
93 HA SER 12 HA SER 12 -7.672 0.230 8.961
94 HB2 SER 12 2HB SER 12 -6.449 1.694 10.549
95 HB3 SER 12 1HB SER 12 -7.370 3.074 9.965
96 HG SER 12 HG SER 12 -7.978 1.636 11.937
97 H GLY 13 H GLY 13 -9.644 -0.098 7.987
98 HA2 GLY 13 2HA GLY 13 -11.895 0.630 7.921
99 HA3 GLY 13 1HA GLY 13 -11.333 2.264 7.642
100 H VAL 14 H VAL 14 -12.173 2.832 5.815
101 HA VAL 14 HA VAL 14 -12.192 0.991 3.529
102 HB VAL 14 HB VAL 14 -14.389 1.830 4.443
103 HG11 VAL 14 1HG1 VAL 14 -15.119 4.113 3.981
104 HG12 VAL 14 2HG1 VAL 14 -13.476 4.511 3.479
105 HG13 VAL 14 3HG1 VAL 14 -13.793 4.021 5.142
106 HG21 VAL 14 3HG2 VAL 14 -15.422 2.398 2.280
107 HG22 VAL 14 1HG2 VAL 14 -14.301 1.043 2.138
108 HG23 VAL 14 2HG2 VAL 14 -13.821 2.650 1.588
109 H CYS 15 H CYS 15 -11.992 2.216 1.384
110 HA CYS 15 HA CYS 15 -9.568 3.559 1.170
111 HB2 CYS 15 2HB CYS 15 -10.442 2.394 -0.710
112 HB3 CYS 15 1HB CYS 15 -11.914 3.354 -0.706
113 H GLY 16 H GLY 16 -9.069 5.526 1.856
114 HA2 GLY 16 2HA GLY 16 -11.010 7.654 1.963
115 HA3 GLY 16 1HA GLY 16 -9.282 7.795 2.312
116 H ASN 17 H ASN 17 -7.813 7.726 0.505
117 HA ASN 17 HA ASN 17 -8.894 8.206 -2.144
118 HB2 ASN 17 2HB ASN 17 -6.993 10.112 -0.724
119 HB3 ASN 17 1HB ASN 17 -7.171 10.077 -2.468
120 HD21 ASN 17 1HD2 ASN 17 -8.628 10.962 0.549
121 HD22 ASN 17 2HD2 ASN 17 -9.896 11.920 -0.095
122 H ASN 18 H ASN 18 -7.586 7.382 -3.697
123 HA ASN 18 HA ASN 18 -5.967 5.229 -3.139
124 HB2 ASN 18 2HB ASN 18 -6.104 6.970 -5.598
125 HB3 ASN 18 1HB ASN 18 -5.133 5.513 -5.531
126 HD21 ASN 18 1HD2 ASN 18 -6.132 3.540 -5.760
127 HD22 ASN 18 2HD2 ASN 18 -7.821 3.387 -6.074
128 H ASN 19 H ASN 19 -4.849 8.453 -4.154
129 HA ASN 19 HA ASN 19 -2.131 7.692 -3.866
130 HB2 ASN 19 2HB ASN 19 -1.530 10.044 -4.282
131 HB3 ASN 19 1HB ASN 19 -2.679 9.466 -5.469
132 HD21 ASN 19 1HD2 ASN 19 -2.044 12.147 -4.721
133 HD22 ASN 19 2HD2 ASN 19 -3.514 12.883 -4.165
134 H ALA 20 H ALA 20 -4.427 9.158 -1.778
135 HA ALA 20 HA ALA 20 -2.619 10.151 0.144
136 HB1 ALA 20 1HB ALA 20 -4.538 10.331 1.622
137 HB2 ALA 20 2HB ALA 20 -5.479 9.297 0.548
138 HB3 ALA 20 3HB ALA 20 -4.956 10.892 0.001
139 H CYS 21 H CYS 21 -4.466 7.066 0.007
140 HA CYS 21 HA CYS 21 -3.050 6.284 2.322
141 HB2 CYS 21 2HB CYS 21 -4.156 4.016 2.036
142 HB3 CYS 21 1HB CYS 21 -5.208 5.391 2.314
143 H LYS 22 H LYS 22 -2.471 5.927 -1.043
144 HA LYS 22 HA LYS 22 -0.471 3.991 -1.031
145 HB2 LYS 22 2HB LYS 22 -1.245 5.085 -3.098
146 HB3 LYS 22 1HB LYS 22 -0.595 6.618 -2.539
147 HG2 LYS 22 2HG LYS 22 1.659 5.808 -2.750
148 HG3 LYS 22 1HG LYS 22 1.074 4.182 -3.109
149 HD2 LYS 22 2HD LYS 22 1.811 5.306 -5.131
150 HD3 LYS 22 1HD LYS 22 0.082 4.988 -5.186
151 HE2 LYS 22 2HE LYS 22 0.545 7.185 -6.065
152 HE3 LYS 22 1HE LYS 22 -0.335 7.338 -4.553
153 HZ1 LYS 22 3HZ LYS 22 1.710 7.963 -3.442
154 HZ2 LYS 22 1HZ LYS 22 1.478 8.908 -4.788
155 HZ3 LYS 22 2HZ LYS 22 2.613 7.693 -4.845
156 H ASN 23 H ASN 23 -0.239 7.483 -0.506
157 HA ASN 23 HA ASN 23 2.423 7.592 0.268
158 HB2 ASN 23 2HB ASN 23 1.383 9.619 -0.338
159 HB3 ASN 23 1HB ASN 23 0.056 9.375 0.792
160 HD21 ASN 23 1HD2 ASN 23 0.275 10.036 2.847
161 HD22 ASN 23 2HD2 ASN 23 1.639 10.887 3.442
162 H GLN 24 H GLN 24 -0.507 7.140 2.172
163 HA GLN 24 HA GLN 24 0.613 7.176 4.702
164 HB2 GLN 24 2HB GLN 24 -1.790 7.222 4.374
165 HB3 GLN 24 1HB GLN 24 -1.739 5.643 3.618
166 HG2 GLN 24 2HG GLN 24 -0.802 5.757 6.410
167 HG3 GLN 24 1HG GLN 24 -2.516 6.065 6.151
168 HE21 GLN 24 1HE2 GLN 24 0.027 3.680 5.972
169 HE22 GLN 24 2HE2 GLN 24 -0.995 2.329 5.713
170 H CYS 25 H CYS 25 0.483 4.508 2.378
171 HA CYS 25 HA CYS 25 1.528 2.568 4.182
172 HB2 CYS 25 2HB CYS 25 1.488 2.713 1.155
173 HB3 CYS 25 1HB CYS 25 2.042 1.289 2.047
174 H ILE 26 H ILE 26 2.914 4.535 1.616
175 HA ILE 26 HA ILE 26 5.587 3.766 1.762
176 HB ILE 26 HB ILE 26 4.398 6.441 0.961
177 HG12 ILE 26 2HG1 ILE 26 5.257 4.175 -0.825
178 HG13 ILE 26 1HG1 ILE 26 3.628 4.281 -0.173
179 HG21 ILE 26 1HG2 ILE 26 6.821 6.624 1.365
180 HG22 ILE 26 2HG2 ILE 26 6.459 6.750 -0.357
181 HG23 ILE 26 3HG2 ILE 26 7.104 5.247 0.301
182 HD11 ILE 26 3HD1 ILE 26 3.791 5.137 -2.425
183 HD12 ILE 26 1HD1 ILE 26 4.939 6.379 -1.883
184 HD13 ILE 26 2HD1 ILE 26 3.271 6.337 -1.249
185 H ARG 27 H ARG 27 3.801 6.183 3.559
186 HA ARG 27 HA ARG 27 6.067 7.248 4.887
187 HB2 ARG 27 2HB ARG 27 3.134 7.492 5.483
188 HB3 ARG 27 1HB ARG 27 4.373 8.270 6.446
189 HG2 ARG 27 2HG ARG 27 3.763 8.760 3.538
190 HG3 ARG 27 1HG ARG 27 3.439 9.845 4.890
191 HD2 ARG 27 2HD ARG 27 6.130 9.000 3.826
192 HD3 ARG 27 1HD ARG 27 5.406 10.600 3.767
193 HE ARG 27 HE ARG 27 5.519 9.915 6.436
194 HH11 ARG 27 1HH1 ARG 27 7.829 10.465 3.843
195 HH12 ARG 27 2HH1 ARG 27 9.105 10.916 4.865
196 HH21 ARG 27 1HH2 ARG 27 7.235 10.484 7.856
197 HH22 ARG 27 2HH2 ARG 27 8.761 10.924 7.238
198 H LEU 28 H LEU 28 3.996 4.527 5.585
199 HA LEU 28 HA LEU 28 4.995 4.678 8.306
200 HB2 LEU 28 2HB LEU 28 2.560 3.256 7.233
201 HB3 LEU 28 1HB LEU 28 3.117 3.147 8.886
202 HG LEU 28 HG LEU 28 2.327 5.733 7.544
203 HD11 LEU 28 1HD1 LEU 28 0.783 4.029 9.480
204 HD12 LEU 28 2HD1 LEU 28 0.408 4.303 7.772
205 HD13 LEU 28 3HD1 LEU 28 0.324 5.635 8.913
206 HD21 LEU 28 3HD2 LEU 28 2.321 6.608 9.852
207 HD22 LEU 28 1HD2 LEU 28 3.923 6.081 9.336
208 HD23 LEU 28 2HD2 LEU 28 2.967 5.069 10.415
209 H GLU 29 H GLU 29 4.387 2.135 5.910
210 HA GLU 29 HA GLU 29 6.545 0.696 7.293
211 HB2 GLU 29 2HB GLU 29 5.770 -1.336 6.028
212 HB3 GLU 29 1HB GLU 29 4.690 -0.744 7.275
213 HG2 GLU 29 2HG GLU 29 4.257 0.150 4.475
214 HG3 GLU 29 1HG GLU 29 3.800 -1.495 4.926
215 H LYS 30 H LYS 30 5.925 2.460 4.636
216 HA LYS 30 HA LYS 30 7.101 3.078 2.870
217 HB2 LYS 30 2HB LYS 30 9.310 1.279 3.889
218 HB3 LYS 30 1HB LYS 30 9.454 2.300 2.470
219 HG2 LYS 30 2HG LYS 30 9.076 4.272 3.901
220 HG3 LYS 30 1HG LYS 30 9.022 3.208 5.302
221 HD2 LYS 30 2HD LYS 30 11.295 2.428 4.841
222 HD3 LYS 30 1HD LYS 30 11.370 3.465 3.419
223 HE2 LYS 30 2HE LYS 30 11.010 4.438 6.254
224 HE3 LYS 30 1HE LYS 30 12.542 4.404 5.387
225 HZ1 LYS 30 3HZ LYS 30 10.145 5.937 4.558
226 HZ2 LYS 30 1HZ LYS 30 11.623 5.982 3.783
227 HZ3 LYS 30 2HZ LYS 30 11.453 6.596 5.348
228 H ALA 31 H ALA 31 5.299 1.889 2.001
229 HA ALA 31 HA ALA 31 6.040 -0.491 0.518
230 HB1 ALA 31 1HB ALA 31 3.511 1.172 0.469
231 HB2 ALA 31 2HB ALA 31 3.751 -0.306 1.404
232 HB3 ALA 31 3HB ALA 31 3.735 -0.369 -0.358
233 H ARG 32 H ARG 32 5.328 -0.236 -1.974
234 HA ARG 32 HA ARG 32 6.849 2.114 -2.843
235 HB2 ARG 32 2HB ARG 32 7.584 -0.147 -3.583
236 HB3 ARG 32 1HB ARG 32 6.065 -0.331 -4.454
237 HG2 ARG 32 2HG ARG 32 7.854 0.271 -5.962
238 HG3 ARG 32 1HG ARG 32 6.692 1.597 -5.858
239 HD2 ARG 32 2HD ARG 32 8.142 2.801 -4.333
240 HD3 ARG 32 1HD ARG 32 9.270 1.447 -4.287
241 HE ARG 32 HE ARG 32 8.907 2.294 -6.928
242 HH11 ARG 32 1HH1 ARG 32 10.403 3.450 -3.932
243 HH12 ARG 32 2HH1 ARG 32 11.646 4.305 -4.701
244 HH21 ARG 32 1HH2 ARG 32 10.597 3.491 -8.002
245 HH22 ARG 32 2HH2 ARG 32 11.772 4.329 -7.103
246 H HIS 33 H HIS 33 3.759 0.636 -2.891
247 HA HIS 33 HA HIS 33 2.602 2.977 -4.039
248 HB2 HIS 33 2HB HIS 33 3.138 1.622 -6.028
249 HB3 HIS 33 1HB HIS 33 2.365 0.217 -5.340
250 HD1 HIS 33 1HD HIS 33 1.556 3.581 -6.891
251 HD2 HIS 33 2HD HIS 33 -0.342 0.050 -5.804
252 HE1 HIS 33 1HE HIS 33 -0.777 3.742 -7.790
253 H GLY 34 H GLY 34 0.092 2.526 -3.936
254 HA2 GLY 34 2HA GLY 34 -0.863 0.541 -2.188
255 HA3 GLY 34 1HA GLY 34 -0.777 2.113 -1.400
256 H SER 35 H SER 35 -3.127 0.512 -2.475
257 HA SER 35 HA SER 35 -4.356 2.787 -3.673
258 HB2 SER 35 2HB SER 35 -3.060 1.601 -5.556
259 HB3 SER 35 1HB SER 35 -4.258 0.318 -5.398
260 HG SER 35 HG SER 35 -5.215 1.572 -6.814
261 H CYS 36 H CYS 36 -6.610 2.290 -4.223
262 HA CYS 36 HA CYS 36 -7.746 0.684 -2.126
263 HB2 CYS 36 2HB CYS 36 -9.090 2.444 -4.176
264 HB3 CYS 36 1HB CYS 36 -9.801 1.802 -2.699
265 H ASN 37 H ASN 37 -7.781 -1.376 -2.615
266 HA ASN 37 HA ASN 37 -8.469 -2.315 -5.307
267 HB2 ASN 37 2HB ASN 37 -6.491 -3.295 -4.151
268 HB3 ASN 37 1HB ASN 37 -7.537 -3.808 -2.837
269 HD21 ASN 37 1HD2 ASN 37 -8.093 -4.018 -6.362
270 HD22 ASN 37 2HD2 ASN 37 -8.209 -5.722 -6.385
271 H TYR 38 H TYR 38 -10.350 -3.604 -5.590
272 HA TYR 38 HA TYR 38 -12.336 -3.206 -3.574
273 HB2 TYR 38 2HB TYR 38 -13.076 -3.060 -5.891
274 HB3 TYR 38 1HB TYR 38 -12.489 -4.691 -6.213
275 HD1 TYR 38 2HD TYR 38 -15.060 -2.746 -4.392
276 HD2 TYR 38 1HD TYR 38 -13.794 -6.616 -5.627
277 HE1 TYR 38 2HE TYR 38 -17.218 -3.674 -3.694
278 HE2 TYR 38 1HE TYR 38 -15.924 -7.553 -4.948
279 HH TYR 38 HH TYR 38 -17.700 -7.066 -3.451
280 H VAL 39 H VAL 39 -12.521 -4.441 -1.934
281 HA VAL 39 HA VAL 39 -12.223 -7.294 -2.324
282 HB VAL 39 HB VAL 39 -11.472 -7.489 0.044
283 HG11 VAL 39 1HG1 VAL 39 -9.767 -7.523 -1.687
284 HG12 VAL 39 2HG1 VAL 39 -9.152 -6.717 -0.243
285 HG13 VAL 39 3HG1 VAL 39 -9.657 -5.763 -1.637
286 HG21 VAL 39 3HG2 VAL 39 -11.239 -4.487 -0.061
287 HG22 VAL 39 1HG2 VAL 39 -10.642 -5.515 1.243
288 HG23 VAL 39 2HG2 VAL 39 -12.375 -5.416 0.916
289 H PHE 40 H PHE 40 -13.483 -8.267 -0.299
290 HA PHE 40 HA PHE 40 -16.068 -7.087 -0.591
291 HB2 PHE 40 2HB PHE 40 -15.758 -9.564 -0.515
292 HB3 PHE 40 1HB PHE 40 -15.266 -9.413 1.167
293 HD1 PHE 40 2HD PHE 40 -18.109 -8.692 -1.115
294 HD2 PHE 40 1HD PHE 40 -16.864 -9.582 2.859
295 HE1 PHE 40 2HE PHE 40 -20.455 -8.901 -0.429
296 HE2 PHE 40 1HE PHE 40 -19.212 -9.792 3.542
297 HZ PHE 40 HZ PHE 40 -21.008 -9.449 1.894
298 HA PRO 41 HA PRO 41 -17.645 -6.259 -0.044
299 HB2 PRO 41 2HB PRO 41 -19.380 -4.690 1.099
300 HB3 PRO 41 1HB PRO 41 -19.041 -6.278 1.805
301 HG2 PRO 41 2HG PRO 41 -18.193 -3.577 2.733
302 HG3 PRO 41 1HG PRO 41 -18.573 -5.016 3.689
303 HD2 PRO 41 2HD PRO 41 -15.985 -4.102 2.836
304 HD3 PRO 41 1HD PRO 41 -16.362 -5.587 3.733
305 H ALA 42 H ALA 42 -15.321 -3.985 0.558
306 HA ALA 42 HA ALA 42 -16.330 -2.117 -1.396
307 HB1 ALA 42 1HB ALA 42 -15.633 -1.212 1.396
308 HB2 ALA 42 2HB ALA 42 -17.248 -1.243 0.696
309 HB3 ALA 42 3HB ALA 42 -16.022 -0.162 0.033
310 H HIS 43 H HIS 43 -14.673 -0.447 -1.813
311 HA HIS 43 HA HIS 43 -12.132 -1.591 -2.216
312 HB2 HIS 43 2HB HIS 43 -13.149 1.231 -2.519
313 HB3 HIS 43 1HB HIS 43 -11.481 0.786 -2.850
314 HD1 HIS 43 1HD HIS 43 -14.976 0.316 -4.202
315 HD2 HIS 43 2HD HIS 43 -11.040 -0.552 -5.189
316 HE1 HIS 43 1HE HIS 43 -15.012 -0.450 -6.596
317 H LYS 44 H LYS 44 -10.523 -1.752 -0.956
318 HA LYS 44 HA LYS 44 -10.273 0.046 1.336
319 HB2 LYS 44 2HB LYS 44 -9.933 -2.946 1.205
320 HB3 LYS 44 1HB LYS 44 -9.191 -1.988 2.479
321 HG2 LYS 44 2HG LYS 44 -11.328 -1.271 3.293
322 HG3 LYS 44 1HG LYS 44 -12.150 -1.962 1.897
323 HD2 LYS 44 2HD LYS 44 -11.687 -4.178 2.615
324 HD3 LYS 44 1HD LYS 44 -10.588 -3.645 3.877
325 HE2 LYS 44 2HE LYS 44 -13.529 -2.988 3.773
326 HE3 LYS 44 1HE LYS 44 -12.862 -4.349 4.662
327 HZ1 LYS 44 3HZ LYS 44 -13.270 -2.359 6.030
328 HZ2 LYS 44 1HZ LYS 44 -12.089 -1.504 5.197
329 HZ3 LYS 44 2HZ LYS 44 -11.683 -2.868 6.110
330 H CYS 45 H CYS 45 -8.048 0.384 2.031
331 HA CYS 45 HA CYS 45 -6.405 0.635 -0.316
332 HB2 CYS 45 2HB CYS 45 -6.054 1.657 2.495
333 HB3 CYS 45 1HB CYS 45 -4.923 1.954 1.180
334 H ILE 46 H ILE 46 -5.124 -0.867 -0.875
335 HA ILE 46 HA ILE 46 -3.947 -2.572 1.194
336 HB ILE 46 HB ILE 46 -4.227 -3.179 -1.779
337 HG12 ILE 46 2HG1 ILE 46 -6.484 -3.017 -0.835
338 HG13 ILE 46 1HG1 ILE 46 -6.062 -4.686 -1.212
339 HG21 ILE 46 1HG2 ILE 46 -2.481 -4.424 -0.655
340 HG22 ILE 46 2HG2 ILE 46 -3.837 -5.498 -1.048
341 HG23 ILE 46 3HG2 ILE 46 -3.621 -4.911 0.595
342 HD11 ILE 46 3HD1 ILE 46 -7.289 -4.536 0.888
343 HD12 ILE 46 1HD1 ILE 46 -6.064 -3.446 1.539
344 HD13 ILE 46 2HD1 ILE 46 -5.645 -5.116 1.161
345 H CYS 47 H CYS 47 -1.664 -2.687 1.209
346 HA CYS 47 HA CYS 47 -0.402 -0.525 -0.255
347 HB2 CYS 47 2HB CYS 47 0.735 -2.365 1.864
348 HB3 CYS 47 1HB CYS 47 1.503 -0.918 1.223
349 H TYR 48 H TYR 48 1.103 -0.818 -1.798
350 HA TYR 48 HA TYR 48 1.411 -3.562 -2.749
351 HB2 TYR 48 2HB TYR 48 1.282 -0.935 -4.193
352 HB3 TYR 48 1HB TYR 48 1.932 -2.372 -4.977
353 HD1 TYR 48 2HD TYR 48 -1.124 -1.056 -3.264
354 HD2 TYR 48 1HD TYR 48 0.436 -3.822 -6.094
355 HE1 TYR 48 2HE TYR 48 -3.402 -1.669 -3.908
356 HE2 TYR 48 1HE TYR 48 -1.841 -4.439 -6.750
357 HH TYR 48 HH TYR 48 -4.115 -4.409 -5.704
358 H PHE 49 H PHE 49 3.303 -4.390 -2.715
359 HA PHE 49 HA PHE 49 5.639 -2.678 -2.261
360 HB2 PHE 49 2HB PHE 49 5.079 -5.554 -1.488
361 HB3 PHE 49 1HB PHE 49 6.662 -4.805 -1.351
362 HD1 PHE 49 1HD PHE 49 3.190 -4.720 -0.078
363 HD2 PHE 49 2HD PHE 49 7.204 -3.404 0.459
364 HE1 PHE 49 1HE PHE 49 2.623 -3.908 2.177
365 HE2 PHE 49 2HE PHE 49 6.644 -2.591 2.705
366 HZ PHE 49 HZ PHE 49 4.351 -2.847 3.571
367 HA PRO 50 HA PRO 50 7.118 -4.070 -6.163
368 HB2 PRO 50 2HB PRO 50 9.788 -3.777 -5.910
369 HB3 PRO 50 1HB PRO 50 8.687 -2.397 -5.990
370 HG2 PRO 50 2HG PRO 50 10.036 -3.606 -3.626
371 HG3 PRO 50 1HG PRO 50 9.688 -1.906 -3.970
372 HD2 PRO 50 2HD PRO 50 8.195 -3.526 -2.282
373 HD3 PRO 50 1HD PRO 50 7.604 -2.042 -3.035
374 H CYS 51 H CYS 51 7.419 -5.932 -7.083
375 HA CYS 51 HA CYS 51 8.973 -8.011 -5.756
376 HB2 CYS 51 2HB CYS 51 6.377 -8.325 -7.278
377 HB3 CYS 51 1HB CYS 51 7.349 -9.654 -6.656
Start of MODEL 10
1 H1 GLN 1 1HT GLN 1 11.421 -7.145 -10.480
2 H2 GLN 1 2HT GLN 1 10.282 -7.134 -11.747
3 H3 GLN 1 3HT GLN 1 9.913 -7.839 -10.256
4 HA GLN 1 HA GLN 1 9.870 -5.914 -9.125
5 HB2 GLN 1 2HB GLN 1 10.965 -4.615 -11.619
6 HB3 GLN 1 1HB GLN 1 10.045 -3.683 -10.456
7 HG2 GLN 1 2HG GLN 1 12.394 -3.397 -10.041
8 HG3 GLN 1 1HG GLN 1 11.661 -4.274 -8.708
9 HE21 GLN 1 1HE2 GLN 1 12.603 -5.678 -11.854
10 HE22 GLN 1 2HE2 GLN 1 13.845 -6.656 -11.173
11 H LYS 2 H LYS 2 7.905 -6.832 -9.091
12 HA LYS 2 HA LYS 2 5.947 -5.372 -10.732
13 HB2 LYS 2 2HB LYS 2 5.778 -8.231 -9.717
14 HB3 LYS 2 1HB LYS 2 4.394 -7.352 -10.344
15 HG2 LYS 2 2HG LYS 2 6.903 -7.943 -11.916
16 HG3 LYS 2 1HG LYS 2 5.399 -8.866 -12.017
17 HD2 LYS 2 2HD LYS 2 4.211 -6.937 -12.795
18 HD3 LYS 2 1HD LYS 2 5.617 -5.907 -12.568
19 HE2 LYS 2 2HE LYS 2 6.800 -7.194 -14.305
20 HE3 LYS 2 1HE LYS 2 5.353 -8.174 -14.545
21 HZ1 LYS 2 3HZ LYS 2 5.524 -5.230 -14.942
22 HZ2 LYS 2 1HZ LYS 2 4.149 -6.171 -15.169
23 HZ3 LYS 2 2HZ LYS 2 5.485 -6.380 -16.175
24 H LEU 3 H LEU 3 3.656 -5.829 -9.301
25 HA LEU 3 HA LEU 3 4.453 -4.593 -6.794
26 HB2 LEU 3 2HB LEU 3 1.920 -4.212 -8.392
27 HB3 LEU 3 1HB LEU 3 2.217 -3.569 -6.793
28 HG LEU 3 HG LEU 3 2.452 -1.829 -8.354
29 HD11 LEU 3 1HD1 LEU 3 5.166 -2.637 -7.355
30 HD12 LEU 3 2HD1 LEU 3 3.945 -1.711 -6.485
31 HD13 LEU 3 3HD1 LEU 3 4.719 -1.025 -7.913
32 HD21 LEU 3 3HD2 LEU 3 4.161 -1.796 -10.139
33 HD22 LEU 3 1HD2 LEU 3 2.929 -3.032 -10.399
34 HD23 LEU 3 2HD2 LEU 3 4.520 -3.486 -9.792
35 H CYS 4 H CYS 4 4.149 -5.673 -5.083
36 HA CYS 4 HA CYS 4 2.426 -8.033 -5.006
37 HB2 CYS 4 2HB CYS 4 4.180 -6.902 -2.813
38 HB3 CYS 4 1HB CYS 4 3.513 -8.515 -2.913
39 H GLN 5 H GLN 5 0.350 -7.655 -4.305
40 HA GLN 5 HA GLN 5 -0.146 -5.221 -2.840
41 HB2 GLN 5 2HB GLN 5 -2.543 -5.725 -3.149
42 HB3 GLN 5 1HB GLN 5 -1.677 -5.717 -4.665
43 HG2 GLN 5 2HG GLN 5 -1.653 -8.179 -4.633
44 HG3 GLN 5 1HG GLN 5 -2.595 -8.146 -3.144
45 HE21 GLN 5 1HE2 GLN 5 -4.131 -5.781 -4.152
46 HE22 GLN 5 2HE2 GLN 5 -5.237 -6.432 -5.308
47 H ARG 6 H ARG 6 -0.192 -5.125 -0.724
48 HA ARG 6 HA ARG 6 -0.703 -7.588 0.791
49 HB2 ARG 6 2HB ARG 6 1.748 -7.090 0.581
50 HB3 ARG 6 1HB ARG 6 1.453 -5.563 1.391
51 HG2 ARG 6 2HG ARG 6 0.550 -6.888 3.333
52 HG3 ARG 6 1HG ARG 6 1.161 -8.330 2.525
53 HD2 ARG 6 2HD ARG 6 2.772 -5.957 3.475
54 HD3 ARG 6 1HD ARG 6 2.756 -7.585 4.148
55 HE ARG 6 HE ARG 6 3.512 -7.842 1.513
56 HH11 ARG 6 1HH1 ARG 6 4.822 -6.317 4.444
57 HH12 ARG 6 2HH1 ARG 6 6.431 -6.358 3.941
58 HH21 ARG 6 1HH2 ARG 6 5.785 -7.914 0.809
59 HH22 ARG 6 2HH2 ARG 6 6.985 -7.273 1.832
60 HA PRO 7 HA PRO 7 -3.255 -4.579 3.025
61 HB2 PRO 7 2HB PRO 7 -4.141 -6.323 4.938
62 HB3 PRO 7 1HB PRO 7 -4.855 -6.240 3.324
63 HG2 PRO 7 2HG PRO 7 -2.894 -8.195 4.436
64 HG3 PRO 7 1HG PRO 7 -4.246 -8.474 3.327
65 HD2 PRO 7 2HD PRO 7 -1.640 -8.308 2.539
66 HD3 PRO 7 1HD PRO 7 -3.009 -7.892 1.487
67 H SER 8 H SER 8 -2.610 -3.277 4.691
68 HA SER 8 HA SER 8 -0.423 -4.281 6.365
69 HB2 SER 8 2HB SER 8 -0.947 -1.498 5.363
70 HB3 SER 8 1HB SER 8 0.394 -1.981 6.402
71 HG SER 8 HG SER 8 0.414 -1.911 3.907
72 H GLY 9 H GLY 9 -0.231 -3.278 8.497
73 HA2 GLY 9 2HA GLY 9 -2.807 -3.121 9.780
74 HA3 GLY 9 1HA GLY 9 -1.240 -3.108 10.574
75 H THR 10 H THR 10 -0.594 -0.905 8.471
76 HA THR 10 HA THR 10 -1.057 1.315 10.145
77 HB THR 10 HB THR 10 -0.170 2.521 8.082
78 HG1 THR 10 1HG THR 10 0.819 0.796 6.618
79 HG21 THR 10 3HG2 THR 10 1.335 1.825 9.858
80 HG22 THR 10 1HG2 THR 10 2.088 1.501 8.298
81 HG23 THR 10 2HG2 THR 10 1.370 0.180 9.223
82 H TRP 11 H TRP 11 -2.195 0.404 6.993
83 HA TRP 11 HA TRP 11 -4.312 2.197 6.691
84 HB2 TRP 11 2HB TRP 11 -3.955 1.115 4.690
85 HB3 TRP 11 1HB TRP 11 -3.598 -0.424 5.464
86 HD1 TRP 11 HD TRP 11 -6.758 1.750 4.676
87 HE1 TRP 11 1HE TRP 11 -8.752 0.122 4.399
88 HE3 TRP 11 3HE TRP 11 -4.369 -2.651 5.631
89 HZ2 TRP 11 2HZ TRP 11 -9.203 -2.664 4.520
90 HZ3 TRP 11 3HZ TRP 11 -5.643 -4.747 5.503
91 HH2 TRP 11 HH TRP 11 -8.021 -4.734 4.962
92 H SER 12 H SER 12 -6.352 2.321 7.450
93 HA SER 12 HA SER 12 -7.629 -0.016 8.515
94 HB2 SER 12 2HB SER 12 -8.330 1.279 10.575
95 HB3 SER 12 1HB SER 12 -6.627 0.832 10.528
96 HG SER 12 HG SER 12 -6.376 3.026 9.533
97 H GLY 13 H GLY 13 -9.694 -0.057 7.806
98 HA2 GLY 13 2HA GLY 13 -11.841 0.887 7.629
99 HA3 GLY 13 1HA GLY 13 -11.109 2.469 7.449
100 H VAL 14 H VAL 14 -12.854 2.360 5.781
101 HA VAL 14 HA VAL 14 -12.264 0.957 3.326
102 HB VAL 14 HB VAL 14 -14.320 3.125 3.912
103 HG11 VAL 14 1HG1 VAL 14 -13.890 2.936 1.518
104 HG12 VAL 14 2HG1 VAL 14 -15.497 2.325 1.913
105 HG13 VAL 14 3HG1 VAL 14 -14.180 1.197 1.591
106 HG21 VAL 14 3HG2 VAL 14 -14.690 1.187 5.308
107 HG22 VAL 14 1HG2 VAL 14 -14.598 0.132 3.898
108 HG23 VAL 14 2HG2 VAL 14 -15.933 1.273 4.056
109 H CYS 15 H CYS 15 -11.606 1.956 1.393
110 HA CYS 15 HA CYS 15 -9.739 4.065 1.644
111 HB2 CYS 15 2HB CYS 15 -9.405 2.388 -0.051
112 HB3 CYS 15 1HB CYS 15 -10.955 2.767 -0.794
113 H GLY 16 H GLY 16 -10.317 6.064 2.004
114 HA2 GLY 16 2HA GLY 16 -12.701 7.171 0.732
115 HA3 GLY 16 1HA GLY 16 -11.735 7.950 1.992
116 H ASN 17 H ASN 17 -9.254 7.810 1.105
117 HA ASN 17 HA ASN 17 -9.271 9.136 -1.504
118 HB2 ASN 17 2HB ASN 17 -7.663 9.858 0.953
119 HB3 ASN 17 1HB ASN 17 -7.249 10.423 -0.654
120 HD21 ASN 17 1HD2 ASN 17 -7.515 12.552 -0.179
121 HD22 ASN 17 2HD2 ASN 17 -9.047 13.256 0.183
122 H ASN 18 H ASN 18 -8.200 7.987 -2.882
123 HA ASN 18 HA ASN 18 -6.795 5.634 -2.342
124 HB2 ASN 18 2HB ASN 18 -6.543 7.430 -4.771
125 HB3 ASN 18 1HB ASN 18 -6.053 5.743 -4.686
126 HD21 ASN 18 1HD2 ASN 18 -7.597 4.182 -4.894
127 HD22 ASN 18 2HD2 ASN 18 -9.254 4.516 -5.257
128 H ASN 19 H ASN 19 -5.570 8.813 -3.242
129 HA ASN 19 HA ASN 19 -2.844 8.131 -3.106
130 HB2 ASN 19 2HB ASN 19 -4.281 10.754 -3.255
131 HB3 ASN 19 1HB ASN 19 -2.542 10.695 -3.015
132 HD21 ASN 19 1HD2 ASN 19 -2.318 11.748 -5.013
133 HD22 ASN 19 2HD2 ASN 19 -2.455 10.887 -6.498
134 H ALA 20 H ALA 20 -5.059 9.031 -0.656
135 HA ALA 20 HA ALA 20 -3.132 10.114 1.146
136 HB1 ALA 20 1HB ALA 20 -5.856 8.977 1.753
137 HB2 ALA 20 2HB ALA 20 -5.512 10.662 1.356
138 HB3 ALA 20 3HB ALA 20 -4.879 9.956 2.844
139 H CYS 21 H CYS 21 -4.887 6.984 1.164
140 HA CYS 21 HA CYS 21 -3.144 5.986 3.128
141 HB2 CYS 21 2HB CYS 21 -4.216 3.747 2.480
142 HB3 CYS 21 1HB CYS 21 -5.225 4.987 3.202
143 H LYS 22 H LYS 22 -3.090 5.856 -0.364
144 HA LYS 22 HA LYS 22 -1.062 4.049 -0.871
145 HB2 LYS 22 2HB LYS 22 -2.212 5.223 -2.621
146 HB3 LYS 22 1HB LYS 22 -1.633 6.784 -2.042
147 HG2 LYS 22 2HG LYS 22 0.667 6.011 -2.680
148 HG3 LYS 22 1HG LYS 22 -0.093 4.599 -3.419
149 HD2 LYS 22 2HD LYS 22 -0.638 7.490 -4.166
150 HD3 LYS 22 1HD LYS 22 0.353 6.344 -5.060
151 HE2 LYS 22 2HE LYS 22 -1.580 4.952 -5.504
152 HE3 LYS 22 1HE LYS 22 -2.596 6.005 -4.523
153 HZ1 LYS 22 3HZ LYS 22 -2.727 6.326 -6.971
154 HZ2 LYS 22 1HZ LYS 22 -1.173 6.941 -6.960
155 HZ3 LYS 22 2HZ LYS 22 -2.429 7.733 -6.129
156 H ASN 23 H ASN 23 -0.751 7.555 -0.196
157 HA ASN 23 HA ASN 23 2.009 7.735 0.005
158 HB2 ASN 23 2HB ASN 23 0.495 9.597 -0.390
159 HB3 ASN 23 1HB ASN 23 -0.235 9.359 1.186
160 HD21 ASN 23 1HD2 ASN 23 0.200 11.370 1.845
161 HD22 ASN 23 2HD2 ASN 23 1.798 11.898 2.228
162 H GLN 24 H GLN 24 -0.526 7.150 2.385
163 HA GLN 24 HA GLN 24 1.004 7.269 4.705
164 HB2 GLN 24 2HB GLN 24 -1.474 7.211 4.644
165 HB3 GLN 24 1HB GLN 24 -1.387 5.517 4.175
166 HG2 GLN 24 2HG GLN 24 -0.245 5.011 6.280
167 HG3 GLN 24 1HG GLN 24 -0.416 6.696 6.763
168 HE21 GLN 24 1HE2 GLN 24 -1.416 4.337 8.004
169 HE22 GLN 24 2HE2 GLN 24 -3.141 4.480 8.089
170 H CYS 25 H CYS 25 0.393 4.544 2.488
171 HA CYS 25 HA CYS 25 1.679 2.576 4.070
172 HB2 CYS 25 2HB CYS 25 1.297 2.780 1.067
173 HB3 CYS 25 1HB CYS 25 1.934 1.341 1.869
174 H ILE 26 H ILE 26 2.707 4.555 1.368
175 HA ILE 26 HA ILE 26 5.372 3.791 1.100
176 HB ILE 26 HB ILE 26 4.052 6.464 0.540
177 HG12 ILE 26 2HG1 ILE 26 4.644 4.245 -1.405
178 HG13 ILE 26 1HG1 ILE 26 3.128 4.336 -0.519
179 HG21 ILE 26 1HG2 ILE 26 5.866 6.829 -1.082
180 HG22 ILE 26 2HG2 ILE 26 6.644 5.339 -0.544
181 HG23 ILE 26 3HG2 ILE 26 6.485 6.702 0.565
182 HD11 ILE 26 3HD1 ILE 26 2.948 5.258 -2.750
183 HD12 ILE 26 1HD1 ILE 26 4.187 6.468 -2.353
184 HD13 ILE 26 2HD1 ILE 26 2.640 6.430 -1.474
185 H ARG 27 H ARG 27 3.881 6.040 3.348
186 HA ARG 27 HA ARG 27 6.393 7.022 4.259
187 HB2 ARG 27 2HB ARG 27 4.556 8.540 4.161
188 HB3 ARG 27 1HB ARG 27 3.549 7.467 5.118
189 HG2 ARG 27 2HG ARG 27 4.286 9.273 6.471
190 HG3 ARG 27 1HG ARG 27 5.032 7.754 6.985
191 HD2 ARG 27 2HD ARG 27 7.061 8.381 5.659
192 HD3 ARG 27 1HD ARG 27 6.331 9.963 5.387
193 HE ARG 27 HE ARG 27 6.292 9.601 8.090
194 HH11 ARG 27 1HH1 ARG 27 8.783 9.727 5.602
195 HH12 ARG 27 2HH1 ARG 27 10.031 10.215 6.636
196 HH21 ARG 27 1HH2 ARG 27 7.944 10.228 9.546
197 HH22 ARG 27 2HH2 ARG 27 9.542 10.500 8.988
198 H LEU 28 H LEU 28 4.105 4.501 5.265
199 HA LEU 28 HA LEU 28 5.377 4.587 7.889
200 HB2 LEU 28 2HB LEU 28 2.738 3.331 7.137
201 HB3 LEU 28 1HB LEU 28 3.470 3.202 8.720
202 HG LEU 28 HG LEU 28 2.488 5.740 7.397
203 HD11 LEU 28 1HD1 LEU 28 0.706 4.383 8.244
204 HD12 LEU 28 2HD1 LEU 28 0.916 5.814 9.252
205 HD13 LEU 28 3HD1 LEU 28 1.508 4.248 9.808
206 HD21 LEU 28 3HD2 LEU 28 3.853 5.381 10.071
207 HD22 LEU 28 1HD2 LEU 28 3.066 6.858 9.514
208 HD23 LEU 28 2HD2 LEU 28 4.489 6.258 8.678
209 H GLU 29 H GLU 29 4.492 2.147 5.505
210 HA GLU 29 HA GLU 29 6.628 0.535 6.720
211 HB2 GLU 29 2HB GLU 29 5.689 -1.305 5.162
212 HB3 GLU 29 1HB GLU 29 4.827 -0.911 6.639
213 HG2 GLU 29 2HG GLU 29 4.039 0.488 4.149
214 HG3 GLU 29 1HG GLU 29 3.555 -1.198 4.343
215 H LYS 30 H LYS 30 6.065 2.604 4.324
216 HA LYS 30 HA LYS 30 7.169 3.309 2.535
217 HB2 LYS 30 2HB LYS 30 9.360 1.478 3.508
218 HB3 LYS 30 1HB LYS 30 9.530 2.562 2.137
219 HG2 LYS 30 2HG LYS 30 9.127 4.467 3.651
220 HG3 LYS 30 1HG LYS 30 9.044 3.335 5.006
221 HD2 LYS 30 2HD LYS 30 11.314 2.581 4.531
222 HD3 LYS 30 1HD LYS 30 11.397 3.674 3.157
223 HE2 LYS 30 2HE LYS 30 11.148 5.585 4.658
224 HE3 LYS 30 1HE LYS 30 11.061 4.487 6.035
225 HZ1 LYS 30 3HZ LYS 30 13.285 3.730 5.549
226 HZ2 LYS 30 1HZ LYS 30 13.294 5.395 5.738
227 HZ3 LYS 30 2HZ LYS 30 13.394 4.715 4.203
228 H ALA 31 H ALA 31 5.289 1.790 1.951
229 HA ALA 31 HA ALA 31 5.996 -0.421 0.297
230 HB1 ALA 31 1HB ALA 31 3.675 -0.281 -0.503
231 HB2 ALA 31 2HB ALA 31 3.489 1.267 0.320
232 HB3 ALA 31 3HB ALA 31 3.747 -0.207 1.259
233 H ARG 32 H ARG 32 5.620 -0.345 -2.095
234 HA ARG 32 HA ARG 32 7.151 1.902 -3.026
235 HB2 ARG 32 2HB ARG 32 7.668 -0.457 -3.676
236 HB3 ARG 32 1HB ARG 32 6.170 -0.491 -4.592
237 HG2 ARG 32 2HG ARG 32 8.247 -0.099 -5.930
238 HG3 ARG 32 1HG ARG 32 6.991 1.124 -6.139
239 HD2 ARG 32 2HD ARG 32 9.367 1.989 -5.871
240 HD3 ARG 32 1HD ARG 32 8.153 2.694 -4.805
241 HE ARG 32 HE ARG 32 9.905 0.506 -3.901
242 HH11 ARG 32 1HH1 ARG 32 8.861 3.911 -3.580
243 HH12 ARG 32 2HH1 ARG 32 9.428 4.050 -1.972
244 HH21 ARG 32 1HH2 ARG 32 10.682 0.783 -1.694
245 HH22 ARG 32 2HH2 ARG 32 10.475 2.275 -0.899
246 H HIS 33 H HIS 33 3.929 0.701 -3.154
247 HA HIS 33 HA HIS 33 3.001 3.202 -4.171
248 HB2 HIS 33 2HB HIS 33 3.587 1.746 -6.214
249 HB3 HIS 33 1HB HIS 33 2.331 0.645 -5.684
250 HD1 HIS 33 1HD HIS 33 2.723 4.248 -6.864
251 HD2 HIS 33 2HD HIS 33 -0.146 1.255 -6.588
252 HE1 HIS 33 1HE HIS 33 0.675 5.134 -8.030
253 H GLY 34 H GLY 34 0.424 2.898 -4.203
254 HA2 GLY 34 2HA GLY 34 -0.482 0.806 -2.468
255 HA3 GLY 34 1HA GLY 34 -0.615 2.444 -1.832
256 H SER 35 H SER 35 -2.714 0.536 -2.791
257 HA SER 35 HA SER 35 -4.083 2.474 -4.382
258 HB2 SER 35 2HB SER 35 -2.801 1.290 -6.117
259 HB3 SER 35 1HB SER 35 -3.419 -0.254 -5.551
260 HG SER 35 HG SER 35 -4.729 0.205 -7.153
261 H CYS 36 H CYS 36 -6.268 2.081 -4.439
262 HA CYS 36 HA CYS 36 -7.167 0.466 -2.234
263 HB2 CYS 36 2HB CYS 36 -8.677 2.398 -3.992
264 HB3 CYS 36 1HB CYS 36 -9.259 1.665 -2.496
265 H ASN 37 H ASN 37 -7.550 -1.518 -2.629
266 HA ASN 37 HA ASN 37 -8.419 -2.379 -5.283
267 HB2 ASN 37 2HB ASN 37 -6.506 -3.578 -4.260
268 HB3 ASN 37 1HB ASN 37 -7.528 -4.024 -2.898
269 HD21 ASN 37 1HD2 ASN 37 -7.272 -6.252 -3.278
270 HD22 ASN 37 2HD2 ASN 37 -8.025 -7.010 -4.626
271 H TYR 38 H TYR 38 -10.391 -3.259 -5.615
272 HA TYR 38 HA TYR 38 -12.325 -2.880 -3.527
273 HB2 TYR 38 2HB TYR 38 -12.779 -2.349 -5.974
274 HB3 TYR 38 1HB TYR 38 -12.841 -4.087 -6.254
275 HD1 TYR 38 2HD TYR 38 -14.677 -5.441 -5.109
276 HD2 TYR 38 1HD TYR 38 -14.603 -1.193 -5.034
277 HE1 TYR 38 2HE TYR 38 -17.025 -5.420 -4.437
278 HE2 TYR 38 1HE TYR 38 -16.957 -1.152 -4.360
279 HH TYR 38 HH TYR 38 -18.550 -3.779 -3.168
280 H VAL 39 H VAL 39 -12.643 -4.291 -2.109
281 HA VAL 39 HA VAL 39 -12.607 -7.126 -2.763
282 HB VAL 39 HB VAL 39 -11.863 -7.546 -0.412
283 HG11 VAL 39 1HG1 VAL 39 -9.513 -6.837 -0.642
284 HG12 VAL 39 2HG1 VAL 39 -9.979 -5.797 -1.991
285 HG13 VAL 39 3HG1 VAL 39 -10.158 -7.548 -2.118
286 HG21 VAL 39 3HG2 VAL 39 -11.494 -4.568 -0.321
287 HG22 VAL 39 1HG2 VAL 39 -10.931 -5.702 0.908
288 HG23 VAL 39 2HG2 VAL 39 -12.661 -5.509 0.609
289 H PHE 40 H PHE 40 -13.912 -8.097 -0.653
290 HA PHE 40 HA PHE 40 -16.405 -6.727 -0.930
291 HB2 PHE 40 2HB PHE 40 -16.310 -9.186 -1.071
292 HB3 PHE 40 1HB PHE 40 -15.773 -9.263 0.606
293 HD1 PHE 40 2HD PHE 40 -18.579 -8.499 -1.626
294 HD2 PHE 40 1HD PHE 40 -17.348 -9.016 2.406
295 HE1 PHE 40 2HE PHE 40 -20.916 -8.535 -0.915
296 HE2 PHE 40 1HE PHE 40 -19.684 -9.056 3.122
297 HZ PHE 40 HZ PHE 40 -21.483 -8.810 1.457
298 HA PRO 41 HA PRO 41 -17.991 -5.950 -0.288
299 HB2 PRO 41 2HB PRO 41 -19.570 -4.203 0.899
300 HB3 PRO 41 1HB PRO 41 -19.473 -5.864 1.498
301 HG2 PRO 41 2HG PRO 41 -18.243 -3.379 2.599
302 HG3 PRO 41 1HG PRO 41 -18.942 -4.758 3.461
303 HD2 PRO 41 2HD PRO 41 -16.199 -4.342 2.951
304 HD3 PRO 41 1HD PRO 41 -16.946 -5.854 3.489
305 H ALA 42 H ALA 42 -15.703 -3.691 0.849
306 HA ALA 42 HA ALA 42 -16.268 -1.872 -1.368
307 HB1 ALA 42 1HB ALA 42 -16.090 0.102 0.051
308 HB2 ALA 42 2HB ALA 42 -15.882 -0.918 1.466
309 HB3 ALA 42 3HB ALA 42 -17.414 -0.929 0.592
310 H HIS 43 H HIS 43 -14.481 -0.207 -1.559
311 HA HIS 43 HA HIS 43 -12.031 -1.493 -2.087
312 HB2 HIS 43 2HB HIS 43 -12.664 1.457 -1.894
313 HB3 HIS 43 1HB HIS 43 -11.123 0.820 -2.418
314 HD1 HIS 43 1HD HIS 43 -14.573 1.550 -3.601
315 HD2 HIS 43 2HD HIS 43 -11.144 -0.339 -5.003
316 HE1 HIS 43 1HE HIS 43 -14.823 1.413 -6.110
317 H LYS 44 H LYS 44 -10.278 -1.829 -0.933
318 HA LYS 44 HA LYS 44 -9.959 -0.362 1.600
319 HB2 LYS 44 2HB LYS 44 -8.945 -3.121 0.920
320 HB3 LYS 44 1HB LYS 44 -8.648 -2.264 2.417
321 HG2 LYS 44 2HG LYS 44 -11.244 -3.384 1.415
322 HG3 LYS 44 1HG LYS 44 -10.308 -3.888 2.819
323 HD2 LYS 44 2HD LYS 44 -10.756 -1.609 3.801
324 HD3 LYS 44 1HD LYS 44 -11.831 -1.325 2.436
325 HE2 LYS 44 2HE LYS 44 -12.090 -3.456 4.536
326 HE3 LYS 44 1HE LYS 44 -13.157 -2.075 4.273
327 HZ1 LYS 44 3HZ LYS 44 -14.189 -3.953 3.375
328 HZ2 LYS 44 1HZ LYS 44 -12.792 -4.469 2.584
329 HZ3 LYS 44 2HZ LYS 44 -13.607 -3.096 2.022
330 H CYS 45 H CYS 45 -7.733 0.123 2.160
331 HA CYS 45 HA CYS 45 -6.252 0.783 -0.221
332 HB2 CYS 45 2HB CYS 45 -5.771 1.441 2.677
333 HB3 CYS 45 1HB CYS 45 -4.854 2.068 1.309
334 H ILE 46 H ILE 46 -5.008 -0.748 -0.972
335 HA ILE 46 HA ILE 46 -3.714 -2.523 0.942
336 HB ILE 46 HB ILE 46 -4.131 -2.915 -2.049
337 HG12 ILE 46 2HG1 ILE 46 -6.300 -2.955 -0.910
338 HG13 ILE 46 1HG1 ILE 46 -5.842 -4.563 -1.458
339 HG21 ILE 46 1HG2 ILE 46 -3.196 -4.775 0.112
340 HG22 ILE 46 2HG2 ILE 46 -2.233 -4.164 -1.241
341 HG23 ILE 46 3HG2 ILE 46 -3.590 -5.269 -1.526
342 HD11 ILE 46 3HD1 ILE 46 -5.657 -3.542 1.375
343 HD12 ILE 46 1HD1 ILE 46 -5.190 -5.154 0.828
344 HD13 ILE 46 2HD1 ILE 46 -6.875 -4.646 0.741
345 H CYS 47 H CYS 47 -1.498 -2.576 0.978
346 HA CYS 47 HA CYS 47 -0.204 -0.373 -0.420
347 HB2 CYS 47 2HB CYS 47 0.912 -2.216 1.703
348 HB3 CYS 47 1HB CYS 47 1.585 -0.681 1.170
349 H TYR 48 H TYR 48 1.279 -0.702 -1.989
350 HA TYR 48 HA TYR 48 1.590 -3.472 -2.824
351 HB2 TYR 48 2HB TYR 48 1.508 -0.915 -4.421
352 HB3 TYR 48 1HB TYR 48 2.067 -2.436 -5.105
353 HD1 TYR 48 2HD TYR 48 -0.913 -0.965 -3.341
354 HD2 TYR 48 1HD TYR 48 0.479 -3.847 -6.157
355 HE1 TYR 48 2HE TYR 48 -3.212 -1.561 -3.883
356 HE2 TYR 48 1HE TYR 48 -1.811 -4.426 -6.707
357 HH TYR 48 HH TYR 48 -4.413 -2.545 -5.893
358 H PHE 49 H PHE 49 3.425 -4.307 -2.646
359 HA PHE 49 HA PHE 49 5.797 -2.665 -2.177
360 HB2 PHE 49 2HB PHE 49 5.111 -5.533 -1.486
361 HB3 PHE 49 1HB PHE 49 6.714 -4.848 -1.256
362 HD1 PHE 49 2HD PHE 49 3.191 -4.685 -0.166
363 HD2 PHE 49 1HD PHE 49 7.188 -3.416 0.556
364 HE1 PHE 49 2HE PHE 49 2.524 -3.832 2.042
365 HE2 PHE 49 1HE PHE 49 6.520 -2.563 2.756
366 HZ PHE 49 HZ PHE 49 4.195 -2.779 3.500
367 HA PRO 50 HA PRO 50 7.402 -4.194 -5.985
368 HB2 PRO 50 2HB PRO 50 10.087 -4.202 -5.548
369 HB3 PRO 50 1HB PRO 50 9.144 -2.729 -5.783
370 HG2 PRO 50 2HG PRO 50 10.305 -3.841 -3.308
371 HG3 PRO 50 1HG PRO 50 9.907 -2.168 -3.716
372 HD2 PRO 50 2HD PRO 50 8.391 -3.929 -2.092
373 HD3 PRO 50 1HD PRO 50 7.903 -2.335 -2.684
374 H CYS 51 H CYS 51 7.120 -6.187 -6.658
375 HA CYS 51 HA CYS 51 8.243 -8.484 -5.256
376 HB2 CYS 51 2HB CYS 51 6.779 -8.411 -7.920
377 HB3 CYS 51 1HB CYS 51 7.105 -9.832 -6.953
Start of MODEL 11
1 H1 GLN 1 1HT GLN 1 9.868 -7.197 -12.518
2 H2 GLN 1 2HT GLN 1 8.375 -6.690 -13.130
3 H3 GLN 1 3HT GLN 1 8.466 -8.092 -12.254
4 HA GLN 1 HA GLN 1 8.968 -6.945 -10.270
5 HB2 GLN 1 2HB GLN 1 8.900 -4.494 -12.052
6 HB3 GLN 1 1HB GLN 1 8.725 -4.396 -10.311
7 HG2 GLN 1 2HG GLN 1 10.988 -3.841 -10.922
8 HG3 GLN 1 1HG GLN 1 10.989 -5.372 -10.066
9 HE21 GLN 1 1HE2 GLN 1 12.951 -5.946 -10.907
10 HE22 GLN 1 2HE2 GLN 1 13.194 -6.386 -12.552
11 H LYS 2 H LYS 2 7.141 -7.747 -9.510
12 HA LYS 2 HA LYS 2 4.595 -6.759 -10.558
13 HB2 LYS 2 2HB LYS 2 5.332 -9.183 -8.905
14 HB3 LYS 2 1HB LYS 2 3.678 -8.700 -9.227
15 HG2 LYS 2 2HG LYS 2 5.680 -9.404 -11.367
16 HG3 LYS 2 1HG LYS 2 4.521 -10.542 -10.676
17 HD2 LYS 2 2HD LYS 2 2.683 -9.054 -11.412
18 HD3 LYS 2 1HD LYS 2 3.876 -7.995 -12.164
19 HE2 LYS 2 2HE LYS 2 4.554 -9.774 -13.666
20 HE3 LYS 2 1HE LYS 2 3.464 -10.901 -12.865
21 HZ1 LYS 2 3HZ LYS 2 1.595 -9.575 -13.607
22 HZ2 LYS 2 1HZ LYS 2 2.527 -10.069 -14.908
23 HZ3 LYS 2 2HZ LYS 2 2.616 -8.470 -14.370
24 H LEU 3 H LEU 3 2.920 -6.457 -8.853
25 HA LEU 3 HA LEU 3 4.146 -5.362 -6.446
26 HB2 LEU 3 2HB LEU 3 1.655 -4.494 -7.895
27 HB3 LEU 3 1HB LEU 3 2.073 -3.951 -6.287
28 HG LEU 3 HG LEU 3 3.675 -3.420 -8.796
29 HD11 LEU 3 1HD1 LEU 3 1.577 -2.175 -8.721
30 HD12 LEU 3 2HD1 LEU 3 2.961 -1.108 -8.492
31 HD13 LEU 3 3HD1 LEU 3 1.979 -1.584 -7.109
32 HD21 LEU 3 3HD2 LEU 3 5.136 -3.578 -6.840
33 HD22 LEU 3 1HD2 LEU 3 4.096 -2.465 -5.952
34 HD23 LEU 3 2HD2 LEU 3 4.994 -1.904 -7.354
35 H CYS 4 H CYS 4 3.760 -6.382 -4.731
36 HA CYS 4 HA CYS 4 1.554 -8.275 -4.602
37 HB2 CYS 4 2HB CYS 4 3.899 -7.810 -2.735
38 HB3 CYS 4 1HB CYS 4 2.714 -9.108 -2.588
39 H GLN 5 H GLN 5 -0.181 -7.925 -3.256
40 HA GLN 5 HA GLN 5 -0.386 -5.192 -2.375
41 HB2 GLN 5 2HB GLN 5 -2.531 -7.313 -2.281
42 HB3 GLN 5 1HB GLN 5 -2.701 -5.578 -2.035
43 HG2 GLN 5 2HG GLN 5 -1.859 -5.262 -4.354
44 HG3 GLN 5 1HG GLN 5 -2.059 -6.995 -4.580
45 HE21 GLN 5 1HE2 GLN 5 -4.532 -7.062 -2.886
46 HE22 GLN 5 2HE2 GLN 5 -5.734 -6.318 -3.868
47 H ARG 6 H ARG 6 -0.882 -4.510 -0.380
48 HA ARG 6 HA ARG 6 -0.541 -6.387 1.843
49 HB2 ARG 6 2HB ARG 6 1.562 -5.290 1.524
50 HB3 ARG 6 1HB ARG 6 0.793 -3.728 1.357
51 HG2 ARG 6 2HG ARG 6 1.871 -3.903 3.514
52 HG3 ARG 6 1HG ARG 6 0.125 -3.835 3.718
53 HD2 ARG 6 2HD ARG 6 0.033 -6.182 4.129
54 HD3 ARG 6 1HD ARG 6 1.736 -6.362 3.701
55 HE ARG 6 HE ARG 6 1.806 -4.548 5.632
56 HH11 ARG 6 1HH1 ARG 6 0.245 -7.731 5.463
57 HH12 ARG 6 2HH1 ARG 6 0.536 -8.132 7.085
58 HH21 ARG 6 1HH2 ARG 6 2.254 -5.164 7.874
59 HH22 ARG 6 2HH2 ARG 6 1.699 -6.647 8.497
60 HA PRO 7 HA PRO 7 -4.331 -3.985 2.536
61 HB2 PRO 7 2HB PRO 7 -5.091 -6.141 4.338
62 HB3 PRO 7 1HB PRO 7 -5.873 -5.629 2.846
63 HG2 PRO 7 2HG PRO 7 -4.539 -7.986 3.077
64 HG3 PRO 7 1HG PRO 7 -4.652 -7.088 1.553
65 HD2 PRO 7 2HD PRO 7 -2.375 -7.233 3.497
66 HD3 PRO 7 1HD PRO 7 -2.367 -7.228 1.720
67 H SER 8 H SER 8 -3.430 -5.902 5.400
68 HA SER 8 HA SER 8 -3.904 -3.444 6.877
69 HB2 SER 8 2HB SER 8 -4.096 -6.290 7.851
70 HB3 SER 8 1HB SER 8 -4.497 -4.832 8.762
71 HG SER 8 HG SER 8 -5.832 -5.952 6.542
72 H GLY 9 H GLY 9 -1.902 -2.672 6.507
73 HA2 GLY 9 2HA GLY 9 0.023 -3.660 8.504
74 HA3 GLY 9 1HA GLY 9 0.514 -2.860 7.005
75 H THR 10 H THR 10 -0.310 -0.743 6.648
76 HA THR 10 HA THR 10 -0.621 0.741 9.156
77 HB THR 10 HB THR 10 1.186 1.597 7.825
78 HG1 THR 10 1HG THR 10 -0.526 3.086 8.819
79 HG21 THR 10 3HG2 THR 10 0.604 0.872 5.618
80 HG22 THR 10 1HG2 THR 10 0.789 2.625 5.642
81 HG23 THR 10 2HG2 THR 10 -0.835 1.908 5.606
82 H TRP 11 H TRP 11 -2.249 0.031 6.205
83 HA TRP 11 HA TRP 11 -4.265 1.948 6.349
84 HB2 TRP 11 2HB TRP 11 -4.208 0.859 4.276
85 HB3 TRP 11 1HB TRP 11 -4.195 -0.745 5.007
86 HD1 TRP 11 HD TRP 11 -6.687 2.245 4.668
87 HE1 TRP 11 1HE TRP 11 -9.085 1.261 4.615
88 HE3 TRP 11 3HE TRP 11 -5.560 -2.695 5.210
89 HZ2 TRP 11 2HZ TRP 11 -10.305 -1.300 4.743
90 HZ3 TRP 11 3HZ TRP 11 -7.384 -4.349 5.220
91 HH2 TRP 11 HH TRP 11 -9.709 -3.654 4.988
92 H SER 12 H SER 12 -5.862 2.306 7.606
93 HA SER 12 HA SER 12 -7.583 0.245 8.558
94 HB2 SER 12 2HB SER 12 -6.188 2.119 10.507
95 HB3 SER 12 1HB SER 12 -7.553 1.081 10.913
96 HG SER 12 HG SER 12 -5.309 -0.009 9.720
97 H GLY 13 H GLY 13 -9.389 1.054 7.650
98 HA2 GLY 13 2HA GLY 13 -11.055 2.817 8.450
99 HA3 GLY 13 1HA GLY 13 -9.818 3.943 7.914
100 H VAL 14 H VAL 14 -11.631 4.720 6.671
101 HA VAL 14 HA VAL 14 -12.551 3.172 4.404
102 HB VAL 14 HB VAL 14 -13.020 6.098 5.109
103 HG11 VAL 14 1HG1 VAL 14 -13.503 5.626 2.771
104 HG12 VAL 14 2HG1 VAL 14 -14.983 5.964 3.672
105 HG13 VAL 14 3HG1 VAL 14 -14.568 4.303 3.251
106 HG21 VAL 14 3HG2 VAL 14 -14.727 3.693 5.745
107 HG22 VAL 14 1HG2 VAL 14 -15.178 5.375 6.029
108 HG23 VAL 14 2HG2 VAL 14 -13.818 4.667 6.902
109 H CYS 15 H CYS 15 -12.098 3.795 2.178
110 HA CYS 15 HA CYS 15 -9.487 5.075 1.928
111 HB2 CYS 15 2HB CYS 15 -9.961 2.814 0.835
112 HB3 CYS 15 1HB CYS 15 -11.059 3.664 -0.244
113 H GLY 16 H GLY 16 -9.826 7.235 1.919
114 HA2 GLY 16 2HA GLY 16 -12.031 8.294 0.336
115 HA3 GLY 16 1HA GLY 16 -11.035 9.195 1.476
116 H ASN 17 H ASN 17 -8.564 8.819 0.745
117 HA ASN 17 HA ASN 17 -8.461 9.685 -2.052
118 HB2 ASN 17 2HB ASN 17 -6.993 10.847 0.318
119 HB3 ASN 17 1HB ASN 17 -6.498 11.144 -1.344
120 HD21 ASN 17 1HD2 ASN 17 -7.430 13.015 0.686
121 HD22 ASN 17 2HD2 ASN 17 -8.814 13.784 0.012
122 H ASN 18 H ASN 18 -7.257 8.537 -3.257
123 HA ASN 18 HA ASN 18 -5.894 6.228 -2.378
124 HB2 ASN 18 2HB ASN 18 -5.775 7.638 -5.057
125 HB3 ASN 18 1HB ASN 18 -5.045 6.074 -4.732
126 HD21 ASN 18 1HD2 ASN 18 -7.990 7.800 -5.261
127 HD22 ASN 18 2HD2 ASN 18 -9.014 6.429 -5.401
128 H ASN 19 H ASN 19 -4.766 9.410 -3.372
129 HA ASN 19 HA ASN 19 -2.019 8.621 -3.270
130 HB2 ASN 19 2HB ASN 19 -1.437 10.901 -3.719
131 HB3 ASN 19 1HB ASN 19 -2.809 10.484 -4.735
132 HD21 ASN 19 1HD2 ASN 19 -1.848 13.069 -3.939
133 HD22 ASN 19 2HD2 ASN 19 -3.130 13.854 -3.077
134 H ALA 20 H ALA 20 -4.278 9.714 -1.011
135 HA ALA 20 HA ALA 20 -2.450 10.699 0.937
136 HB1 ALA 20 1HB ALA 20 -4.355 10.580 2.472
137 HB2 ALA 20 2HB ALA 20 -5.272 9.695 1.254
138 HB3 ALA 20 3HB ALA 20 -4.795 11.367 0.956
139 H CYS 21 H CYS 21 -4.243 7.651 0.547
140 HA CYS 21 HA CYS 21 -2.876 6.539 2.760
141 HB2 CYS 21 2HB CYS 21 -3.992 4.422 2.140
142 HB3 CYS 21 1HB CYS 21 -5.108 5.770 2.288
143 H LYS 22 H LYS 22 -2.367 6.505 -0.719
144 HA LYS 22 HA LYS 22 -0.378 4.599 -0.979
145 HB2 LYS 22 2HB LYS 22 -1.340 5.941 -2.851
146 HB3 LYS 22 1HB LYS 22 -0.457 7.343 -2.267
147 HG2 LYS 22 2HG LYS 22 1.626 6.405 -2.875
148 HG3 LYS 22 1HG LYS 22 0.908 4.810 -3.116
149 HD2 LYS 22 2HD LYS 22 1.323 5.762 -5.250
150 HD3 LYS 22 1HD LYS 22 -0.417 5.752 -5.001
151 HE2 LYS 22 2HE LYS 22 0.152 7.828 -6.026
152 HE3 LYS 22 1HE LYS 22 -0.200 8.185 -4.338
153 HZ1 LYS 22 3HZ LYS 22 2.151 8.296 -3.881
154 HZ2 LYS 22 1HZ LYS 22 1.784 9.319 -5.144
155 HZ3 LYS 22 2HZ LYS 22 2.547 7.861 -5.457
156 H ASN 23 H ASN 23 0.061 8.044 -0.351
157 HA ASN 23 HA ASN 23 2.744 8.058 0.295
158 HB2 ASN 23 2HB ASN 23 1.580 10.093 -0.180
159 HB3 ASN 23 1HB ASN 23 0.438 9.808 1.121
160 HD21 ASN 23 1HD2 ASN 23 0.975 10.376 3.152
161 HD22 ASN 23 2HD2 ASN 23 2.384 11.269 3.542
162 H GLN 24 H GLN 24 -0.090 7.478 2.357
163 HA GLN 24 HA GLN 24 1.298 7.447 4.805
164 HB2 GLN 24 2HB GLN 24 -1.234 7.543 4.454
165 HB3 GLN 24 1HB GLN 24 -1.159 5.799 4.236
166 HG2 GLN 24 2HG GLN 24 -0.080 5.654 6.490
167 HG3 GLN 24 1HG GLN 24 -0.437 7.367 6.700
168 HE21 GLN 24 1HE2 GLN 24 -1.635 4.206 6.718
169 HE22 GLN 24 2HE2 GLN 24 -3.248 4.568 7.225
170 H CYS 25 H CYS 25 0.659 4.906 2.412
171 HA CYS 25 HA CYS 25 1.585 2.736 3.984
172 HB2 CYS 25 2HB CYS 25 1.599 3.071 0.963
173 HB3 CYS 25 1HB CYS 25 1.878 1.560 1.823
174 H ILE 26 H ILE 26 3.080 4.721 1.552
175 HA ILE 26 HA ILE 26 5.654 3.694 1.514
176 HB ILE 26 HB ILE 26 4.654 6.505 1.007
177 HG12 ILE 26 2HG1 ILE 26 5.236 4.330 -0.990
178 HG13 ILE 26 1HG1 ILE 26 3.649 4.557 -0.270
179 HG21 ILE 26 1HG2 ILE 26 6.652 6.780 -0.397
180 HG22 ILE 26 2HG2 ILE 26 7.229 5.196 0.119
181 HG23 ILE 26 3HG2 ILE 26 7.084 6.506 1.291
182 HD11 ILE 26 3HD1 ILE 26 3.482 6.714 -1.184
183 HD12 ILE 26 1HD1 ILE 26 3.848 5.571 -2.468
184 HD13 ILE 26 2HD1 ILE 26 5.127 6.642 -1.850
185 H ARG 27 H ARG 27 4.226 6.126 3.624
186 HA ARG 27 HA ARG 27 6.742 6.692 4.902
187 HB2 ARG 27 2HB ARG 27 3.945 7.636 5.476
188 HB3 ARG 27 1HB ARG 27 5.336 8.109 6.441
189 HG2 ARG 27 2HG ARG 27 4.990 8.646 3.493
190 HG3 ARG 27 1HG ARG 27 4.715 9.812 4.789
191 HD2 ARG 27 2HD ARG 27 7.348 8.469 4.134
192 HD3 ARG 27 1HD ARG 27 6.909 10.132 3.768
193 HE ARG 27 HE ARG 27 6.566 10.169 6.365
194 HH11 ARG 27 1HH1 ARG 27 9.281 8.715 4.558
195 HH12 ARG 27 2HH1 ARG 27 10.394 8.973 5.817
196 HH21 ARG 27 1HH2 ARG 27 8.153 10.496 8.066
197 HH22 ARG 27 2HH2 ARG 27 9.761 9.975 7.810
198 H LEU 28 H LEU 28 4.105 4.456 5.532
199 HA LEU 28 HA LEU 28 5.054 4.268 8.279
200 HB2 LEU 28 2HB LEU 28 2.431 3.606 7.052
201 HB3 LEU 28 1HB LEU 28 2.941 2.679 8.427
202 HG LEU 28 HG LEU 28 1.488 4.468 9.090
203 HD11 LEU 28 1HD1 LEU 28 2.870 5.458 10.856
204 HD12 LEU 28 2HD1 LEU 28 4.319 4.929 10.022
205 HD13 LEU 28 3HD1 LEU 28 3.184 3.738 10.655
206 HD21 LEU 28 3HD2 LEU 28 1.947 6.108 7.349
207 HD22 LEU 28 1HD2 LEU 28 3.571 6.361 7.987
208 HD23 LEU 28 2HD2 LEU 28 2.164 6.834 8.940
209 H GLU 29 H GLU 29 4.132 1.985 5.724
210 HA GLU 29 HA GLU 29 5.989 0.224 7.098
211 HB2 GLU 29 2HB GLU 29 4.821 -1.709 6.072
212 HB3 GLU 29 1HB GLU 29 3.826 -0.769 7.162
213 HG2 GLU 29 2HG GLU 29 2.821 0.324 5.156
214 HG3 GLU 29 1HG GLU 29 3.714 -0.833 4.161
215 H LYS 30 H LYS 30 5.797 2.182 4.635
216 HA LYS 30 HA LYS 30 7.196 2.775 3.046
217 HB2 LYS 30 2HB LYS 30 8.969 0.635 4.211
218 HB3 LYS 30 1HB LYS 30 9.488 1.771 2.968
219 HG2 LYS 30 2HG LYS 30 9.076 3.640 4.449
220 HG3 LYS 30 1HG LYS 30 8.441 2.557 5.683
221 HD2 LYS 30 2HD LYS 30 10.640 1.490 5.863
222 HD3 LYS 30 1HD LYS 30 11.263 2.577 4.619
223 HE2 LYS 30 2HE LYS 30 11.876 3.369 6.839
224 HE3 LYS 30 1HE LYS 30 10.778 4.496 6.051
225 HZ1 LYS 30 3HZ LYS 30 8.952 3.508 7.370
226 HZ2 LYS 30 1HZ LYS 30 10.153 4.157 8.356
227 HZ3 LYS 30 2HZ LYS 30 10.043 2.498 8.121
228 H ALA 31 H ALA 31 5.184 1.407 2.234
229 HA ALA 31 HA ALA 31 5.933 -0.620 0.321
230 HB1 ALA 31 1HB ALA 31 3.603 -0.422 -0.432
231 HB2 ALA 31 2HB ALA 31 3.403 1.007 0.576
232 HB3 ALA 31 3HB ALA 31 3.675 -0.568 1.328
233 H ARG 32 H ARG 32 5.098 -0.031 -2.097
234 HA ARG 32 HA ARG 32 6.500 2.479 -2.682
235 HB2 ARG 32 2HB ARG 32 5.824 0.215 -4.562
236 HB3 ARG 32 1HB ARG 32 6.605 1.717 -5.023
237 HG2 ARG 32 2HG ARG 32 7.685 -0.467 -3.282
238 HG3 ARG 32 1HG ARG 32 8.290 0.074 -4.846
239 HD2 ARG 32 2HD ARG 32 8.392 1.533 -2.207
240 HD3 ARG 32 1HD ARG 32 9.749 0.947 -3.156
241 HE ARG 32 HE ARG 32 8.567 2.714 -4.826
242 HH11 ARG 32 1HH1 ARG 32 9.692 2.934 -1.484
243 HH12 ARG 32 2HH1 ARG 32 9.955 4.613 -1.533
244 HH21 ARG 32 1HH2 ARG 32 8.911 5.024 -4.882
245 HH22 ARG 32 2HH2 ARG 32 9.503 5.840 -3.515
246 H HIS 33 H HIS 33 3.414 1.017 -2.839
247 HA HIS 33 HA HIS 33 2.322 3.471 -3.890
248 HB2 HIS 33 2HB HIS 33 2.930 1.988 -5.871
249 HB3 HIS 33 1HB HIS 33 1.784 0.808 -5.273
250 HD1 HIS 33 1HD HIS 33 1.987 4.106 -7.067
251 HD2 HIS 33 2HD HIS 33 -0.901 1.428 -5.730
252 HE1 HIS 33 1HE HIS 33 -0.177 4.820 -8.109
253 H GLY 34 H GLY 34 -0.178 3.241 -3.808
254 HA2 GLY 34 2HA GLY 34 -1.386 1.180 -2.328
255 HA3 GLY 34 1HA GLY 34 -1.120 2.612 -1.326
256 H SER 35 H SER 35 -3.566 1.334 -2.643
257 HA SER 35 HA SER 35 -4.892 3.788 -3.249
258 HB2 SER 35 2HB SER 35 -4.427 1.840 -5.537
259 HB3 SER 35 1HB SER 35 -5.669 3.089 -5.560
260 HG SER 35 HG SER 35 -3.171 3.953 -4.881
261 H CYS 36 H CYS 36 -7.214 3.435 -3.649
262 HA CYS 36 HA CYS 36 -8.411 1.499 -2.010
263 HB2 CYS 36 2HB CYS 36 -9.665 2.853 -4.419
264 HB3 CYS 36 1HB CYS 36 -10.509 2.213 -3.032
265 H ASN 37 H ASN 37 -8.505 -0.667 -2.380
266 HA ASN 37 HA ASN 37 -8.653 -1.550 -5.164
267 HB2 ASN 37 2HB ASN 37 -6.370 -2.034 -4.274
268 HB3 ASN 37 1HB ASN 37 -7.102 -2.871 -2.919
269 HD21 ASN 37 1HD2 ASN 37 -6.601 -2.941 -6.369
270 HD22 ASN 37 2HD2 ASN 37 -6.789 -4.648 -6.535
271 H TYR 38 H TYR 38 -10.772 -1.897 -5.213
272 HA TYR 38 HA TYR 38 -11.932 -3.275 -2.955
273 HB2 TYR 38 2HB TYR 38 -13.117 -1.319 -3.998
274 HB3 TYR 38 1HB TYR 38 -13.377 -2.315 -5.429
275 HD1 TYR 38 2HD TYR 38 -14.813 -4.417 -5.180
276 HD2 TYR 38 1HD TYR 38 -14.495 -1.493 -2.115
277 HE1 TYR 38 2HE TYR 38 -16.826 -5.320 -4.119
278 HE2 TYR 38 1HE TYR 38 -16.509 -2.392 -1.052
279 HH TYR 38 HH TYR 38 -17.781 -5.377 -1.814
280 H VAL 39 H VAL 39 -11.629 -5.300 -2.945
281 HA VAL 39 HA VAL 39 -12.546 -6.832 -5.231
282 HB VAL 39 HB VAL 39 -11.015 -8.687 -4.442
283 HG11 VAL 39 1HG1 VAL 39 -8.959 -7.778 -5.442
284 HG12 VAL 39 2HG1 VAL 39 -9.630 -6.153 -5.321
285 HG13 VAL 39 3HG1 VAL 39 -10.391 -7.344 -6.375
286 HG21 VAL 39 3HG2 VAL 39 -9.746 -6.491 -2.803
287 HG22 VAL 39 1HG2 VAL 39 -9.101 -8.119 -3.014
288 HG23 VAL 39 2HG2 VAL 39 -10.630 -7.873 -2.163
289 H PHE 40 H PHE 40 -13.499 -8.877 -4.506
290 HA PHE 40 HA PHE 40 -15.401 -8.447 -2.496
291 HB2 PHE 40 2HB PHE 40 -15.775 -9.947 -4.407
292 HB3 PHE 40 1HB PHE 40 -14.513 -11.023 -3.838
293 HD1 PHE 40 2HD PHE 40 -17.872 -9.678 -3.039
294 HD2 PHE 40 1HD PHE 40 -15.000 -12.736 -2.310
295 HE1 PHE 40 2HE PHE 40 -19.552 -10.953 -1.784
296 HE2 PHE 40 1HE PHE 40 -16.675 -14.020 -1.064
297 HZ PHE 40 HZ PHE 40 -18.961 -13.127 -0.792
298 HA PRO 41 HA PRO 41 -16.608 -9.370 -0.836
299 HB2 PRO 41 2HB PRO 41 -16.366 -8.390 1.896
300 HB3 PRO 41 1HB PRO 41 -17.287 -9.768 1.291
301 HG2 PRO 41 2HG PRO 41 -15.086 -10.064 2.842
302 HG3 PRO 41 1HG PRO 41 -15.547 -11.237 1.595
303 HD2 PRO 41 2HD PRO 41 -13.489 -9.060 1.473
304 HD3 PRO 41 1HD PRO 41 -13.383 -10.744 0.913
305 H ALA 42 H ALA 42 -14.610 -7.177 1.129
306 HA ALA 42 HA ALA 42 -15.205 -4.957 -0.608
307 HB1 ALA 42 1HB ALA 42 -17.189 -5.023 0.824
308 HB2 ALA 42 2HB ALA 42 -16.215 -3.580 1.120
309 HB3 ALA 42 3HB ALA 42 -16.156 -4.929 2.252
310 H HIS 43 H HIS 43 -13.103 -4.476 -0.863
311 HA HIS 43 HA HIS 43 -11.577 -4.029 1.584
312 HB2 HIS 43 2HB HIS 43 -10.590 -4.742 -1.178
313 HB3 HIS 43 1HB HIS 43 -9.524 -4.129 0.076
314 HD1 HIS 43 1HD HIS 43 -8.163 -6.243 0.525
315 HD2 HIS 43 2HD HIS 43 -12.249 -6.820 0.642
316 HE1 HIS 43 1HE HIS 43 -8.495 -8.621 1.337
317 H LYS 44 H LYS 44 -9.981 -2.361 1.442
318 HA LYS 44 HA LYS 44 -11.086 0.072 0.186
319 HB2 LYS 44 2HB LYS 44 -9.941 -0.290 2.988
320 HB3 LYS 44 1HB LYS 44 -10.158 1.277 2.260
321 HG2 LYS 44 2HG LYS 44 -11.939 0.901 3.796
322 HG3 LYS 44 1HG LYS 44 -12.562 0.920 2.157
323 HD2 LYS 44 2HD LYS 44 -12.810 -1.466 2.165
324 HD3 LYS 44 1HD LYS 44 -12.022 -1.591 3.734
325 HE2 LYS 44 2HE LYS 44 -14.443 -1.759 3.972
326 HE3 LYS 44 1HE LYS 44 -13.833 -0.308 4.757
327 HZ1 LYS 44 3HZ LYS 44 -15.874 0.070 3.515
328 HZ2 LYS 44 1HZ LYS 44 -15.146 -0.371 2.077
329 HZ3 LYS 44 2HZ LYS 44 -14.658 1.022 2.895
330 H CYS 45 H CYS 45 -8.597 1.386 1.521
331 HA CYS 45 HA CYS 45 -6.965 1.180 -0.794
332 HB2 CYS 45 2HB CYS 45 -7.129 3.227 0.656
333 HB3 CYS 45 1HB CYS 45 -6.193 2.358 1.870
334 H ILE 46 H ILE 46 -5.447 -0.135 -1.225
335 HA ILE 46 HA ILE 46 -4.356 -1.767 0.937
336 HB ILE 46 HB ILE 46 -4.771 -2.589 -1.967
337 HG12 ILE 46 2HG1 ILE 46 -6.952 -2.422 -0.830
338 HG13 ILE 46 1HG1 ILE 46 -6.540 -4.095 -1.194
339 HG21 ILE 46 1HG2 ILE 46 -3.879 -4.160 0.435
340 HG22 ILE 46 2HG2 ILE 46 -2.904 -3.734 -0.974
341 HG23 ILE 46 3HG2 ILE 46 -4.281 -4.846 -1.132
342 HD11 ILE 46 3HD1 ILE 46 -7.582 -3.881 0.992
343 HD12 ILE 46 1HD1 ILE 46 -6.321 -2.755 1.496
344 HD13 ILE 46 2HD1 ILE 46 -5.914 -4.434 1.133
345 H CYS 47 H CYS 47 -2.170 -1.807 1.003
346 HA CYS 47 HA CYS 47 -0.718 0.097 -0.596
347 HB2 CYS 47 2HB CYS 47 0.252 -1.786 1.573
348 HB3 CYS 47 1HB CYS 47 1.119 -0.393 0.935
349 H TYR 48 H TYR 48 1.327 -0.567 -1.680
350 HA TYR 48 HA TYR 48 1.249 -3.350 -2.634
351 HB2 TYR 48 2HB TYR 48 1.710 -0.875 -4.277
352 HB3 TYR 48 1HB TYR 48 1.937 -2.509 -4.868
353 HD1 TYR 48 1HD TYR 48 -0.035 -3.961 -5.268
354 HD2 TYR 48 2HD TYR 48 -0.489 0.080 -4.026
355 HE1 TYR 48 1HE TYR 48 -2.365 -4.003 -5.983
356 HE2 TYR 48 2HE TYR 48 -2.840 0.031 -4.724
357 HH TYR 48 HH TYR 48 -4.417 -2.874 -5.516
358 H PHE 49 H PHE 49 3.080 -4.381 -2.483
359 HA PHE 49 HA PHE 49 5.560 -2.916 -2.012
360 HB2 PHE 49 2HB PHE 49 4.568 -5.620 -1.136
361 HB3 PHE 49 1HB PHE 49 6.294 -5.296 -1.210
362 HD1 PHE 49 2HD PHE 49 3.160 -3.840 0.214
363 HD2 PHE 49 1HD PHE 49 7.330 -4.478 0.650
364 HE1 PHE 49 2HE PHE 49 3.090 -2.813 2.459
365 HE2 PHE 49 1HE PHE 49 7.262 -3.465 2.885
366 HZ PHE 49 HZ PHE 49 5.138 -2.634 3.790
367 HA PRO 50 HA PRO 50 6.965 -4.478 -5.896
368 HB2 PRO 50 2HB PRO 50 9.618 -4.129 -5.643
369 HB3 PRO 50 1HB PRO 50 8.507 -2.760 -5.756
370 HG2 PRO 50 2HG PRO 50 9.891 -3.889 -3.376
371 HG3 PRO 50 1HG PRO 50 9.489 -2.206 -3.748
372 HD2 PRO 50 2HD PRO 50 8.038 -3.889 -2.036
373 HD3 PRO 50 1HD PRO 50 7.451 -2.379 -2.748
374 H CYS 51 H CYS 51 7.173 -6.470 -6.630
375 HA CYS 51 HA CYS 51 8.886 -8.333 -5.187
376 HB2 CYS 51 2HB CYS 51 6.201 -8.922 -6.466
377 HB3 CYS 51 1HB CYS 51 7.274 -10.127 -5.765
Start of MODEL 12
1 H1 GLN 1 1HT GLN 1 11.374 -6.282 -10.328
2 H2 GLN 1 2HT GLN 1 10.168 -6.639 -11.480
3 H3 GLN 1 3HT GLN 1 9.987 -7.082 -9.854
4 HA GLN 1 HA GLN 1 9.730 -5.033 -9.071
5 HB2 GLN 1 2HB GLN 1 11.373 -3.861 -10.518
6 HB3 GLN 1 1HB GLN 1 10.244 -3.954 -11.858
7 HG2 GLN 1 2HG GLN 1 10.238 -1.739 -10.850
8 HG3 GLN 1 1HG GLN 1 8.676 -2.528 -10.667
9 HE21 GLN 1 1HE2 GLN 1 11.478 -3.294 -8.662
10 HE22 GLN 1 2HE2 GLN 1 10.841 -2.605 -7.226
11 H LYS 2 H LYS 2 7.950 -6.542 -9.046
12 HA LYS 2 HA LYS 2 5.708 -5.459 -10.628
13 HB2 LYS 2 2HB LYS 2 5.946 -8.201 -9.293
14 HB3 LYS 2 1HB LYS 2 4.466 -7.554 -9.950
15 HG2 LYS 2 2HG LYS 2 5.364 -9.127 -11.498
16 HG3 LYS 2 1HG LYS 2 5.525 -7.523 -12.200
17 HD2 LYS 2 2HD LYS 2 7.897 -7.512 -11.551
18 HD3 LYS 2 1HD LYS 2 7.705 -9.120 -10.856
19 HE2 LYS 2 2HE LYS 2 8.690 -9.279 -13.084
20 HE3 LYS 2 1HE LYS 2 7.077 -9.993 -13.064
21 HZ1 LYS 2 3HZ LYS 2 7.781 -7.299 -14.120
22 HZ2 LYS 2 1HZ LYS 2 6.228 -7.947 -14.099
23 HZ3 LYS 2 2HZ LYS 2 7.438 -8.638 -15.028
24 H LEU 3 H LEU 3 3.557 -5.908 -9.071
25 HA LEU 3 HA LEU 3 4.367 -4.555 -6.632
26 HB2 LEU 3 2HB LEU 3 1.787 -4.339 -8.168
27 HB3 LEU 3 1HB LEU 3 2.070 -3.629 -6.603
28 HG LEU 3 HG LEU 3 2.211 -1.931 -8.209
29 HD11 LEU 3 1HD1 LEU 3 3.751 -1.700 -6.378
30 HD12 LEU 3 2HD1 LEU 3 4.445 -1.018 -7.845
31 HD13 LEU 3 3HD1 LEU 3 4.989 -2.591 -7.267
32 HD21 LEU 3 3HD2 LEU 3 2.681 -3.129 -10.237
33 HD22 LEU 3 1HD2 LEU 3 4.286 -3.569 -9.647
34 HD23 LEU 3 2HD2 LEU 3 3.916 -1.887 -10.003
35 H CYS 4 H CYS 4 4.309 -5.729 -5.003
36 HA CYS 4 HA CYS 4 2.684 -8.123 -4.775
37 HB2 CYS 4 2HB CYS 4 4.691 -6.856 -2.867
38 HB3 CYS 4 1HB CYS 4 3.895 -8.389 -2.599
39 H GLN 5 H GLN 5 0.602 -7.758 -4.144
40 HA GLN 5 HA GLN 5 -0.022 -5.430 -2.623
41 HB2 GLN 5 2HB GLN 5 -2.352 -6.342 -2.559
42 HB3 GLN 5 1HB GLN 5 -1.708 -6.033 -4.157
43 HG2 GLN 5 2HG GLN 5 -1.353 -8.399 -4.478
44 HG3 GLN 5 1HG GLN 5 -1.875 -8.721 -2.831
45 HE21 GLN 5 1HE2 GLN 5 -3.524 -6.259 -4.706
46 HE22 GLN 5 2HE2 GLN 5 -4.951 -7.167 -4.984
47 H ARG 6 H ARG 6 -0.445 -5.183 -0.580
48 HA ARG 6 HA ARG 6 -0.566 -7.486 1.187
49 HB2 ARG 6 2HB ARG 6 1.792 -6.917 1.015
50 HB3 ARG 6 1HB ARG 6 1.432 -5.239 1.356
51 HG2 ARG 6 2HG ARG 6 0.775 -5.817 3.622
52 HG3 ARG 6 1HG ARG 6 1.056 -7.529 3.277
53 HD2 ARG 6 2HD ARG 6 3.390 -7.072 2.809
54 HD3 ARG 6 1HD ARG 6 3.132 -5.356 3.089
55 HE ARG 6 HE ARG 6 2.396 -6.309 5.418
56 HH11 ARG 6 1HH1 ARG 6 5.204 -7.219 3.445
57 HH12 ARG 6 2HH1 ARG 6 6.188 -7.612 4.772
58 HH21 ARG 6 1HH2 ARG 6 3.738 -6.817 7.208
59 HH22 ARG 6 2HH2 ARG 6 5.319 -7.390 7.009
60 HA PRO 7 HA PRO 7 -3.399 -4.376 2.853
61 HB2 PRO 7 2HB PRO 7 -4.575 -6.497 4.431
62 HB3 PRO 7 1HB PRO 7 -5.271 -5.596 3.076
63 HG2 PRO 7 2HG PRO 7 -4.611 -8.270 2.948
64 HG3 PRO 7 1HG PRO 7 -4.673 -7.196 1.540
65 HD2 PRO 7 2HD PRO 7 -2.294 -8.090 3.135
66 HD3 PRO 7 1HD PRO 7 -2.487 -7.901 1.375
67 H SER 8 H SER 8 -1.661 -3.562 3.908
68 HA SER 8 HA SER 8 -0.417 -4.688 6.151
69 HB2 SER 8 2HB SER 8 -0.472 -1.895 5.061
70 HB3 SER 8 1HB SER 8 0.642 -2.478 6.299
71 HG SER 8 HG SER 8 1.811 -3.064 4.729
72 H GLY 9 H GLY 9 -0.348 -3.727 8.309
73 HA2 GLY 9 2HA GLY 9 -3.024 -3.290 9.303
74 HA3 GLY 9 1HA GLY 9 -1.578 -3.507 10.272
75 H THR 10 H THR 10 -0.531 -1.301 8.266
76 HA THR 10 HA THR 10 -0.910 0.872 10.007
77 HB THR 10 HB THR 10 0.111 2.084 7.948
78 HG1 THR 10 1HG THR 10 1.117 -0.276 7.002
79 HG21 THR 10 3HG2 THR 10 1.423 1.525 9.874
80 HG22 THR 10 1HG2 THR 10 2.325 1.033 8.443
81 HG23 THR 10 2HG2 THR 10 1.477 -0.179 9.414
82 H TRP 11 H TRP 11 -2.144 0.060 6.830
83 HA TRP 11 HA TRP 11 -4.148 2.056 6.724
84 HB2 TRP 11 2HB TRP 11 -3.883 1.132 4.604
85 HB3 TRP 11 1HB TRP 11 -3.594 -0.485 5.233
86 HD1 TRP 11 HD TRP 11 -6.606 1.904 4.522
87 HE1 TRP 11 1HE TRP 11 -8.714 0.415 4.231
88 HE3 TRP 11 3HE TRP 11 -4.552 -2.659 5.507
89 HZ2 TRP 11 2HZ TRP 11 -9.373 -2.301 4.362
90 HZ3 TRP 11 3HZ TRP 11 -5.978 -4.657 5.384
91 HH2 TRP 11 HH TRP 11 -8.331 -4.480 4.826
92 H SER 12 H SER 12 -6.110 2.156 7.681
93 HA SER 12 HA SER 12 -7.296 -0.257 8.740
94 HB2 SER 12 2HB SER 12 -5.928 0.704 10.594
95 HB3 SER 12 1HB SER 12 -6.832 2.207 10.445
96 HG SER 12 HG SER 12 -8.565 1.303 11.292
97 H GLY 13 H GLY 13 -9.208 -0.209 7.690
98 HA2 GLY 13 2HA GLY 13 -11.408 0.867 8.110
99 HA3 GLY 13 1HA GLY 13 -10.608 2.364 7.653
100 H VAL 14 H VAL 14 -11.816 2.816 5.943
101 HA VAL 14 HA VAL 14 -11.785 0.905 3.734
102 HB VAL 14 HB VAL 14 -14.012 1.207 4.775
103 HG11 VAL 14 1HG1 VAL 14 -13.724 4.075 4.007
104 HG12 VAL 14 2HG1 VAL 14 -13.851 3.403 5.634
105 HG13 VAL 14 3HG1 VAL 14 -15.231 3.325 4.535
106 HG21 VAL 14 3HG2 VAL 14 -13.848 2.360 1.998
107 HG22 VAL 14 1HG2 VAL 14 -15.307 1.714 2.750
108 HG23 VAL 14 2HG2 VAL 14 -13.941 0.648 2.414
109 H CYS 15 H CYS 15 -11.894 2.060 1.576
110 HA CYS 15 HA CYS 15 -9.798 3.926 1.454
111 HB2 CYS 15 2HB CYS 15 -10.137 2.382 -0.353
112 HB3 CYS 15 1HB CYS 15 -11.740 3.042 -0.665
113 H GLY 16 H GLY 16 -9.741 5.989 1.360
114 HA2 GLY 16 2HA GLY 16 -12.194 7.539 0.933
115 HA3 GLY 16 1HA GLY 16 -10.874 8.058 1.986
116 H ASN 17 H ASN 17 -8.634 7.493 0.520
117 HA ASN 17 HA ASN 17 -8.879 8.784 -2.068
118 HB2 ASN 17 2HB ASN 17 -7.263 9.938 0.215
119 HB3 ASN 17 1HB ASN 17 -6.974 10.360 -1.462
120 HD21 ASN 17 1HD2 ASN 17 -8.984 10.795 1.321
121 HD22 ASN 17 2HD2 ASN 17 -9.954 12.040 0.653
122 H ASN 18 H ASN 18 -7.690 7.641 -3.398
123 HA ASN 18 HA ASN 18 -6.084 5.464 -2.776
124 HB2 ASN 18 2HB ASN 18 -5.998 7.167 -5.275
125 HB3 ASN 18 1HB ASN 18 -5.237 5.599 -5.104
126 HD21 ASN 18 1HD2 ASN 18 -6.390 4.725 -6.762
127 HD22 ASN 18 2HD2 ASN 18 -8.064 4.345 -6.617
128 H ASN 19 H ASN 19 -5.068 8.676 -3.803
129 HA ASN 19 HA ASN 19 -2.309 8.115 -3.715
130 HB2 ASN 19 2HB ASN 19 -3.742 10.789 -3.696
131 HB3 ASN 19 1HB ASN 19 -2.003 10.621 -3.848
132 HD21 ASN 19 1HD2 ASN 19 -1.911 11.546 -5.883
133 HD22 ASN 19 2HD2 ASN 19 -2.529 10.774 -7.299
134 H ALA 20 H ALA 20 -4.557 9.197 -1.358
135 HA ALA 20 HA ALA 20 -2.638 10.191 0.494
136 HB1 ALA 20 1HB ALA 20 -4.998 10.924 0.513
137 HB2 ALA 20 2HB ALA 20 -4.454 10.328 2.078
138 HB3 ALA 20 3HB ALA 20 -5.465 9.312 1.054
139 H CYS 21 H CYS 21 -4.377 7.087 0.193
140 HA CYS 21 HA CYS 21 -3.073 6.125 2.539
141 HB2 CYS 21 2HB CYS 21 -4.112 3.925 1.986
142 HB3 CYS 21 1HB CYS 21 -5.259 5.251 2.117
143 H LYS 22 H LYS 22 -2.509 5.870 -0.901
144 HA LYS 22 HA LYS 22 -0.451 4.018 -1.018
145 HB2 LYS 22 2HB LYS 22 -1.381 5.132 -2.995
146 HB3 LYS 22 1HB LYS 22 -0.737 6.672 -2.452
147 HG2 LYS 22 2HG LYS 22 1.516 5.936 -2.844
148 HG3 LYS 22 1HG LYS 22 0.960 4.295 -3.180
149 HD2 LYS 22 2HD LYS 22 1.442 5.378 -5.261
150 HD3 LYS 22 1HD LYS 22 -0.297 5.172 -5.131
151 HE2 LYS 22 2HE LYS 22 0.086 7.347 -6.014
152 HE3 LYS 22 1HE LYS 22 -0.402 7.569 -4.339
153 HZ1 LYS 22 3HZ LYS 22 1.432 8.967 -4.949
154 HZ2 LYS 22 1HZ LYS 22 2.389 7.657 -5.359
155 HZ3 LYS 22 2HZ LYS 22 1.930 7.922 -3.747
156 H ASN 23 H ASN 23 -0.221 7.569 -0.491
157 HA ASN 23 HA ASN 23 2.454 7.797 0.088
158 HB2 ASN 23 2HB ASN 23 0.904 9.632 -0.412
159 HB3 ASN 23 1HB ASN 23 0.077 9.345 1.109
160 HD21 ASN 23 1HD2 ASN 23 0.453 11.315 1.917
161 HD22 ASN 23 2HD2 ASN 23 2.035 11.839 2.376
162 H GLN 24 H GLN 24 -0.341 7.225 2.183
163 HA GLN 24 HA GLN 24 0.885 7.276 4.677
164 HB2 GLN 24 2HB GLN 24 -1.537 7.219 4.384
165 HB3 GLN 24 1HB GLN 24 -1.424 5.593 3.730
166 HG2 GLN 24 2HG GLN 24 -0.579 4.804 5.899
167 HG3 GLN 24 1HG GLN 24 -0.793 6.430 6.547
168 HE21 GLN 24 1HE2 GLN 24 -2.039 3.896 7.288
169 HE22 GLN 24 2HE2 GLN 24 -3.738 4.155 7.135
170 H CYS 25 H CYS 25 0.554 4.556 2.391
171 HA CYS 25 HA CYS 25 1.627 2.613 4.146
172 HB2 CYS 25 2HB CYS 25 1.567 2.701 1.093
173 HB3 CYS 25 1HB CYS 25 2.011 1.278 2.045
174 H ILE 26 H ILE 26 2.988 4.631 1.631
175 HA ILE 26 HA ILE 26 5.646 3.759 1.675
176 HB ILE 26 HB ILE 26 4.467 6.439 0.889
177 HG12 ILE 26 2HG1 ILE 26 5.275 4.153 -0.894
178 HG13 ILE 26 1HG1 ILE 26 3.662 4.274 -0.205
179 HG21 ILE 26 1HG2 ILE 26 6.498 6.732 -0.475
180 HG22 ILE 26 2HG2 ILE 26 7.157 5.233 0.181
181 HG23 ILE 26 3HG2 ILE 26 6.898 6.620 1.240
182 HD11 ILE 26 3HD1 ILE 26 4.941 6.359 -1.950
183 HD12 ILE 26 1HD1 ILE 26 3.300 6.331 -1.293
184 HD13 ILE 26 2HD1 ILE 26 3.785 5.116 -2.482
185 H ARG 27 H ARG 27 3.988 6.241 3.542
186 HA ARG 27 HA ARG 27 6.417 7.170 4.790
187 HB2 ARG 27 2HB ARG 27 3.551 7.755 5.491
188 HB3 ARG 27 1HB ARG 27 4.950 8.613 6.133
189 HG2 ARG 27 2HG ARG 27 4.008 8.560 3.274
190 HG3 ARG 27 1HG ARG 27 3.859 9.902 4.403
191 HD2 ARG 27 2HD ARG 27 6.235 10.194 4.456
192 HD3 ARG 27 1HD ARG 27 6.487 8.727 3.507
193 HE ARG 27 HE ARG 27 4.822 10.377 2.061
194 HH11 ARG 27 1HH1 ARG 27 8.144 10.482 3.270
195 HH12 ARG 27 2HH1 ARG 27 8.773 11.368 1.966
196 HH21 ARG 27 1HH2 ARG 27 5.668 11.612 0.252
197 HH22 ARG 27 2HH2 ARG 27 7.317 12.038 0.194
198 H LEU 28 H LEU 28 4.202 4.594 5.460
199 HA LEU 28 HA LEU 28 5.032 4.708 8.243
200 HB2 LEU 28 2HB LEU 28 2.664 3.451 6.924
201 HB3 LEU 28 1HB LEU 28 3.300 2.720 8.372
202 HG LEU 28 HG LEU 28 1.413 4.175 8.845
203 HD11 LEU 28 1HD1 LEU 28 3.075 3.840 10.565
204 HD12 LEU 28 2HD1 LEU 28 2.390 5.459 10.667
205 HD13 LEU 28 3HD1 LEU 28 3.996 5.227 9.982
206 HD21 LEU 28 3HD2 LEU 28 1.607 6.623 8.685
207 HD22 LEU 28 1HD2 LEU 28 1.670 5.855 7.099
208 HD23 LEU 28 2HD2 LEU 28 3.153 6.438 7.856
209 H GLU 29 H GLU 29 4.602 2.153 5.829
210 HA GLU 29 HA GLU 29 6.861 0.855 7.161
211 HB2 GLU 29 2HB GLU 29 5.907 -1.270 6.220
212 HB3 GLU 29 1HB GLU 29 5.014 -0.522 7.546
213 HG2 GLU 29 2HG GLU 29 3.523 0.472 5.802
214 HG3 GLU 29 1HG GLU 29 4.350 -0.552 4.623
215 H LYS 30 H LYS 30 6.141 2.553 4.595
216 HA LYS 30 HA LYS 30 7.280 3.140 2.811
217 HB2 LYS 30 2HB LYS 30 9.443 1.228 3.719
218 HB3 LYS 30 1HB LYS 30 9.616 2.412 2.433
219 HG2 LYS 30 2HG LYS 30 9.204 4.208 4.070
220 HG3 LYS 30 1HG LYS 30 9.112 2.996 5.344
221 HD2 LYS 30 2HD LYS 30 11.435 2.305 4.769
222 HD3 LYS 30 1HD LYS 30 11.505 3.640 3.616
223 HE2 LYS 30 2HE LYS 30 11.007 5.208 5.472
224 HE3 LYS 30 1HE LYS 30 11.061 3.845 6.584
225 HZ1 LYS 30 3HZ LYS 30 13.397 3.497 5.935
226 HZ2 LYS 30 1HZ LYS 30 13.116 5.004 6.636
227 HZ3 LYS 30 2HZ LYS 30 13.320 4.903 4.975
228 H ALA 31 H ALA 31 5.385 1.885 2.072
229 HA ALA 31 HA ALA 31 6.026 -0.382 0.413
230 HB1 ALA 31 1HB ALA 31 3.760 -0.108 1.315
231 HB2 ALA 31 2HB ALA 31 3.737 -0.116 -0.450
232 HB3 ALA 31 3HB ALA 31 3.588 1.407 0.427
233 H ARG 32 H ARG 32 5.274 -0.055 -2.020
234 HA ARG 32 HA ARG 32 6.851 2.191 -3.018
235 HB2 ARG 32 2HB ARG 32 7.437 0.017 -3.936
236 HB3 ARG 32 1HB ARG 32 5.767 -0.291 -4.367
237 HG2 ARG 32 2HG ARG 32 7.148 0.271 -6.315
238 HG3 ARG 32 1HG ARG 32 5.848 1.432 -6.069
239 HD2 ARG 32 2HD ARG 32 7.973 2.510 -6.677
240 HD3 ARG 32 1HD ARG 32 7.411 3.016 -5.085
241 HE ARG 32 HE ARG 32 9.040 1.029 -4.446
242 HH11 ARG 32 1HH1 ARG 32 9.592 3.724 -6.692
243 HH12 ARG 32 2HH1 ARG 32 11.266 3.770 -6.407
244 HH21 ARG 32 1HH2 ARG 32 11.310 1.136 -4.063
245 HH22 ARG 32 2HH2 ARG 32 12.270 2.269 -4.871
246 H HIS 33 H HIS 33 3.671 0.745 -3.099
247 HA HIS 33 HA HIS 33 2.532 3.175 -4.157
248 HB2 HIS 33 2HB HIS 33 3.220 1.816 -6.122
249 HB3 HIS 33 1HB HIS 33 2.328 0.447 -5.501
250 HD1 HIS 33 1HD HIS 33 1.683 3.954 -6.861
251 HD2 HIS 33 2HD HIS 33 -0.181 0.276 -6.399
252 HE1 HIS 33 1HE HIS 33 -0.580 4.139 -7.999
253 H GLY 34 H GLY 34 -0.009 2.684 -4.213
254 HA2 GLY 34 2HA GLY 34 -0.991 0.654 -2.444
255 HA3 GLY 34 1HA GLY 34 -1.098 2.285 -1.790
256 H SER 35 H SER 35 -3.241 0.415 -2.837
257 HA SER 35 HA SER 35 -4.562 2.431 -4.468
258 HB2 SER 35 2HB SER 35 -4.265 -0.412 -5.503
259 HB3 SER 35 1HB SER 35 -5.144 0.907 -6.271
260 HG SER 35 HG SER 35 -2.641 1.626 -5.692
261 H CYS 36 H CYS 36 -6.837 2.140 -4.572
262 HA CYS 36 HA CYS 36 -7.878 0.644 -2.333
263 HB2 CYS 36 2HB CYS 36 -9.146 2.644 -4.198
264 HB3 CYS 36 1HB CYS 36 -9.939 1.911 -2.807
265 H ASN 37 H ASN 37 -8.142 -1.393 -2.814
266 HA ASN 37 HA ASN 37 -8.994 -2.194 -5.492
267 HB2 ASN 37 2HB ASN 37 -7.037 -3.311 -4.410
268 HB3 ASN 37 1HB ASN 37 -8.116 -3.900 -3.151
269 HD21 ASN 37 1HD2 ASN 37 -7.779 -6.077 -3.623
270 HD22 ASN 37 2HD2 ASN 37 -8.363 -6.779 -5.082
271 H TYR 38 H TYR 38 -10.991 -2.975 -5.882
272 HA TYR 38 HA TYR 38 -12.929 -2.866 -3.785
273 HB2 TYR 38 2HB TYR 38 -13.580 -2.169 -6.042
274 HB3 TYR 38 1HB TYR 38 -13.239 -3.780 -6.657
275 HD1 TYR 38 1HD TYR 38 -15.576 -1.756 -4.662
276 HD2 TYR 38 2HD TYR 38 -14.799 -5.634 -6.249
277 HE1 TYR 38 1HE TYR 38 -17.898 -2.421 -4.191
278 HE2 TYR 38 2HE TYR 38 -17.093 -6.289 -5.815
279 HH TYR 38 HH TYR 38 -19.525 -4.064 -4.977
280 H VAL 39 H VAL 39 -12.987 -4.357 -2.378
281 HA VAL 39 HA VAL 39 -13.189 -7.114 -3.253
282 HB VAL 39 HB VAL 39 -12.155 -7.803 -1.091
283 HG11 VAL 39 1HG1 VAL 39 -9.813 -7.291 -1.615
284 HG12 VAL 39 2HG1 VAL 39 -10.349 -6.063 -2.764
285 HG13 VAL 39 3HG1 VAL 39 -10.725 -7.761 -3.049
286 HG21 VAL 39 3HG2 VAL 39 -11.474 -4.884 -0.785
287 HG22 VAL 39 1HG2 VAL 39 -10.884 -6.190 0.243
288 HG23 VAL 39 2HG2 VAL 39 -12.605 -5.803 0.207
289 H PHE 40 H PHE 40 -14.336 -8.267 -1.349
290 HA PHE 40 HA PHE 40 -16.648 -6.728 -0.758
291 HB2 PHE 40 2HB PHE 40 -16.645 -9.222 -1.160
292 HB3 PHE 40 1HB PHE 40 -15.904 -9.425 0.419
293 HD1 PHE 40 1HD PHE 40 -18.912 -8.147 -1.315
294 HD2 PHE 40 2HD PHE 40 -17.252 -9.546 2.348
295 HE1 PHE 40 1HE PHE 40 -21.154 -8.206 -0.328
296 HE2 PHE 40 2HE PHE 40 -19.493 -9.607 3.337
297 HZ PHE 40 HZ PHE 40 -21.453 -8.936 2.007
298 HA PRO 41 HA PRO 41 -18.009 -6.113 0.407
299 HB2 PRO 41 2HB PRO 41 -19.251 -4.692 2.246
300 HB3 PRO 41 1HB PRO 41 -18.921 -6.403 2.515
301 HG2 PRO 41 2HG PRO 41 -17.608 -4.033 3.730
302 HG3 PRO 41 1HG PRO 41 -17.833 -5.661 4.387
303 HD2 PRO 41 2HD PRO 41 -15.506 -4.593 3.069
304 HD3 PRO 41 1HD PRO 41 -15.738 -6.228 3.721
305 H ALA 42 H ALA 42 -15.430 -4.067 0.770
306 HA ALA 42 HA ALA 42 -16.595 -1.960 -0.778
307 HB1 ALA 42 1HB ALA 42 -16.077 -0.165 0.816
308 HB2 ALA 42 2HB ALA 42 -15.621 -1.370 2.021
309 HB3 ALA 42 3HB ALA 42 -17.290 -1.272 1.460
310 H HIS 43 H HIS 43 -14.877 -0.226 -1.135
311 HA HIS 43 HA HIS 43 -12.487 -1.405 -2.053
312 HB2 HIS 43 2HB HIS 43 -13.276 1.489 -1.699
313 HB3 HIS 43 1HB HIS 43 -11.729 0.997 -2.362
314 HD1 HIS 43 1HD HIS 43 -15.103 1.866 -3.380
315 HD2 HIS 43 2HD HIS 43 -12.054 -0.561 -4.816
316 HE1 HIS 43 1HE HIS 43 -15.623 1.471 -5.799
317 H LYS 44 H LYS 44 -10.840 -2.016 -0.894
318 HA LYS 44 HA LYS 44 -10.199 -0.566 1.585
319 HB2 LYS 44 2HB LYS 44 -9.349 -3.349 0.736
320 HB3 LYS 44 1HB LYS 44 -8.970 -2.557 2.261
321 HG2 LYS 44 2HG LYS 44 -11.385 -2.532 2.800
322 HG3 LYS 44 1HG LYS 44 -11.698 -3.426 1.315
323 HD2 LYS 44 2HD LYS 44 -10.232 -5.248 2.127
324 HD3 LYS 44 1HD LYS 44 -10.001 -4.362 3.631
325 HE2 LYS 44 2HE LYS 44 -12.429 -4.489 4.057
326 HE3 LYS 44 1HE LYS 44 -12.623 -5.411 2.570
327 HZ1 LYS 44 3HZ LYS 44 -11.072 -6.243 4.960
328 HZ2 LYS 44 1HZ LYS 44 -11.180 -7.142 3.539
329 HZ3 LYS 44 2HZ LYS 44 -12.547 -6.863 4.472
330 H CYS 45 H CYS 45 -7.958 0.073 1.853
331 HA CYS 45 HA CYS 45 -6.700 0.314 -0.750
332 HB2 CYS 45 2HB CYS 45 -7.023 2.381 0.668
333 HB3 CYS 45 1HB CYS 45 -5.862 1.694 1.803
334 H ILE 46 H ILE 46 -5.235 -0.976 -1.280
335 HA ILE 46 HA ILE 46 -3.997 -2.667 0.761
336 HB ILE 46 HB ILE 46 -4.017 -3.047 -2.248
337 HG12 ILE 46 2HG1 ILE 46 -6.352 -3.013 -1.422
338 HG13 ILE 46 1HG1 ILE 46 -5.877 -4.602 -2.001
339 HG21 ILE 46 1HG2 ILE 46 -3.451 -4.877 0.064
340 HG22 ILE 46 2HG2 ILE 46 -2.316 -4.355 -1.194
341 HG23 ILE 46 3HG2 ILE 46 -3.683 -5.415 -1.587
342 HD11 ILE 46 3HD1 ILE 46 -5.574 -5.347 0.281
343 HD12 ILE 46 1HD1 ILE 46 -7.211 -4.747 0.016
344 HD13 ILE 46 2HD1 ILE 46 -6.037 -3.749 0.885
345 H CYS 47 H CYS 47 -1.772 -2.523 1.037
346 HA CYS 47 HA CYS 47 -0.437 -0.373 -0.359
347 HB2 CYS 47 2HB CYS 47 0.561 -2.245 1.812
348 HB3 CYS 47 1HB CYS 47 1.407 -0.822 1.220
349 H TYR 48 H TYR 48 1.153 -0.671 -1.838
350 HA TYR 48 HA TYR 48 1.573 -3.433 -2.678
351 HB2 TYR 48 2HB TYR 48 1.307 -0.924 -4.305
352 HB3 TYR 48 1HB TYR 48 2.039 -2.385 -4.965
353 HD1 TYR 48 1HD TYR 48 -1.101 -0.861 -3.745
354 HD2 TYR 48 2HD TYR 48 0.679 -4.309 -5.510
355 HE1 TYR 48 1HE TYR 48 -3.324 -1.747 -4.309
356 HE2 TYR 48 2HE TYR 48 -1.509 -5.167 -6.088
357 HH TYR 48 HH TYR 48 -4.242 -3.405 -6.116
358 H PHE 49 H PHE 49 3.454 -4.164 -2.561
359 HA PHE 49 HA PHE 49 5.727 -2.354 -2.168
360 HB2 PHE 49 2HB PHE 49 5.253 -5.217 -1.283
361 HB3 PHE 49 1HB PHE 49 6.780 -4.370 -1.069
362 HD1 PHE 49 1HD PHE 49 3.217 -4.412 -0.090
363 HD2 PHE 49 2HD PHE 49 7.088 -2.841 0.701
364 HE1 PHE 49 1HE PHE 49 2.402 -3.469 2.032
365 HE2 PHE 49 2HE PHE 49 6.269 -1.901 2.821
366 HZ PHE 49 HZ PHE 49 3.916 -2.227 3.479
367 HA PRO 50 HA PRO 50 7.308 -3.887 -5.967
368 HB2 PRO 50 2HB PRO 50 9.961 -3.693 -5.680
369 HB3 PRO 50 1HB PRO 50 8.929 -2.260 -5.735
370 HG2 PRO 50 2HG PRO 50 10.130 -3.636 -3.371
371 HG3 PRO 50 1HG PRO 50 10.004 -1.902 -3.715
372 HD2 PRO 50 2HD PRO 50 8.293 -3.262 -2.059
373 HD3 PRO 50 1HD PRO 50 7.842 -1.788 -2.935
374 H CYS 51 H CYS 51 7.290 -5.877 -6.659
375 HA CYS 51 HA CYS 51 8.635 -8.032 -5.215
376 HB2 CYS 51 2HB CYS 51 7.229 -8.231 -7.873
377 HB3 CYS 51 1HB CYS 51 7.525 -9.517 -6.721
Start of MODEL 13
1 H1 GLN 1 1HT GLN 1 11.153 -7.587 -10.612
2 H2 GLN 1 2HT GLN 1 10.567 -7.571 -9.040
3 H3 GLN 1 3HT GLN 1 12.114 -6.949 -9.361
4 HA GLN 1 HA GLN 1 10.498 -5.242 -8.969
5 HB2 GLN 1 2HB GLN 1 11.366 -5.403 -11.862
6 HB3 GLN 1 1HB GLN 1 10.714 -3.962 -11.107
7 HG2 GLN 1 2HG GLN 1 12.626 -3.999 -9.525
8 HG3 GLN 1 1HG GLN 1 13.292 -5.354 -10.432
9 HE21 GLN 1 1HE2 GLN 1 12.436 -4.269 -13.060
10 HE22 GLN 1 2HE2 GLN 1 13.474 -2.932 -13.345
11 H LYS 2 H LYS 2 8.474 -5.836 -8.510
12 HA LYS 2 HA LYS 2 6.537 -5.288 -10.503
13 HB2 LYS 2 2HB LYS 2 6.742 -7.728 -10.881
14 HB3 LYS 2 1HB LYS 2 6.564 -8.022 -9.155
15 HG2 LYS 2 2HG LYS 2 4.294 -7.036 -9.251
16 HG3 LYS 2 1HG LYS 2 4.476 -6.847 -10.989
17 HD2 LYS 2 2HD LYS 2 4.628 -9.246 -11.260
18 HD3 LYS 2 1HD LYS 2 4.569 -9.471 -9.506
19 HE2 LYS 2 2HE LYS 2 2.399 -8.186 -11.162
20 HE3 LYS 2 1HE LYS 2 2.385 -9.864 -10.631
21 HZ1 LYS 2 3HZ LYS 2 2.355 -7.474 -8.813
22 HZ2 LYS 2 1HZ LYS 2 2.348 -9.085 -8.331
23 HZ3 LYS 2 2HZ LYS 2 1.055 -8.466 -9.162
24 H LEU 3 H LEU 3 4.720 -4.541 -9.459
25 HA LEU 3 HA LEU 3 5.034 -4.086 -6.645
26 HB2 LEU 3 2HB LEU 3 2.778 -3.404 -8.507
27 HB3 LEU 3 1HB LEU 3 2.874 -2.895 -6.841
28 HG LEU 3 HG LEU 3 4.727 -2.064 -9.066
29 HD11 LEU 3 1HD1 LEU 3 2.539 -1.021 -9.153
30 HD12 LEU 3 2HD1 LEU 3 3.793 0.134 -8.710
31 HD13 LEU 3 3HD1 LEU 3 2.708 -0.507 -7.473
32 HD21 LEU 3 3HD2 LEU 3 4.753 -1.315 -6.140
33 HD22 LEU 3 1HD2 LEU 3 5.745 -0.572 -7.396
34 HD23 LEU 3 2HD2 LEU 3 5.971 -2.270 -6.985
35 H CYS 4 H CYS 4 4.635 -5.581 -5.341
36 HA CYS 4 HA CYS 4 2.546 -7.515 -5.909
37 HB2 CYS 4 2HB CYS 4 3.699 -8.802 -4.020
38 HB3 CYS 4 1HB CYS 4 4.605 -8.624 -5.517
39 H GLN 5 H GLN 5 0.757 -7.537 -4.702
40 HA GLN 5 HA GLN 5 0.423 -5.376 -2.858
41 HB2 GLN 5 2HB GLN 5 -1.911 -6.045 -2.681
42 HB3 GLN 5 1HB GLN 5 -1.415 -5.907 -4.351
43 HG2 GLN 5 2HG GLN 5 -1.350 -8.284 -4.600
44 HG3 GLN 5 1HG GLN 5 -1.604 -8.516 -2.875
45 HE21 GLN 5 1HE2 GLN 5 -3.369 -6.039 -4.638
46 HE22 GLN 5 2HE2 GLN 5 -4.880 -6.854 -4.595
47 H ARG 6 H ARG 6 0.134 -5.434 -0.757
48 HA ARG 6 HA ARG 6 0.341 -7.982 0.638
49 HB2 ARG 6 2HB ARG 6 2.589 -7.019 0.565
50 HB3 ARG 6 1HB ARG 6 1.969 -5.492 1.168
51 HG2 ARG 6 2HG ARG 6 1.391 -6.540 3.290
52 HG3 ARG 6 1HG ARG 6 1.957 -8.099 2.689
53 HD2 ARG 6 2HD ARG 6 3.623 -5.613 3.052
54 HD3 ARG 6 1HD ARG 6 3.652 -7.048 4.081
55 HE ARG 6 HE ARG 6 4.139 -8.029 1.633
56 HH11 ARG 6 1HH1 ARG 6 5.708 -5.531 3.583
57 HH12 ARG 6 2HH1 ARG 6 7.223 -5.667 2.804
58 HH21 ARG 6 1HH2 ARG 6 6.209 -8.243 0.594
59 HH22 ARG 6 2HH2 ARG 6 7.518 -7.272 1.075
60 HA PRO 7 HA PRO 7 -3.187 -6.174 2.746
61 HB2 PRO 7 2HB PRO 7 -2.176 -8.024 4.862
62 HB3 PRO 7 1HB PRO 7 -3.820 -7.820 4.239
63 HG2 PRO 7 2HG PRO 7 -2.358 -9.920 3.532
64 HG3 PRO 7 1HG PRO 7 -3.416 -9.109 2.363
65 HD2 PRO 7 2HD PRO 7 -0.448 -9.001 2.629
66 HD3 PRO 7 1HD PRO 7 -1.463 -8.933 1.172
67 H SER 8 H SER 8 -2.649 -4.200 3.269
68 HA SER 8 HA SER 8 -0.465 -3.140 4.388
69 HB2 SER 8 2HB SER 8 -3.261 -2.204 4.670
70 HB3 SER 8 1HB SER 8 -1.797 -1.232 4.339
71 HG SER 8 HG SER 8 -3.399 -1.925 2.584
72 H GLY 9 H GLY 9 0.238 -2.861 6.474
73 HA2 GLY 9 2HA GLY 9 -1.440 -4.001 8.574
74 HA3 GLY 9 1HA GLY 9 0.293 -3.723 8.682
75 H THR 10 H THR 10 0.141 -1.073 7.542
76 HA THR 10 HA THR 10 -0.511 0.307 9.935
77 HB THR 10 HB THR 10 1.394 1.076 8.632
78 HG1 THR 10 1HG THR 10 0.748 2.771 9.642
79 HG21 THR 10 3HG2 THR 10 -0.593 1.831 6.475
80 HG22 THR 10 1HG2 THR 10 0.589 0.527 6.369
81 HG23 THR 10 2HG2 THR 10 1.129 2.204 6.464
82 H TRP 11 H TRP 11 -2.004 0.050 6.788
83 HA TRP 11 HA TRP 11 -4.144 1.774 7.115
84 HB2 TRP 11 2HB TRP 11 -4.062 1.060 4.948
85 HB3 TRP 11 1HB TRP 11 -3.551 -0.554 5.401
86 HD1 TRP 11 HD TRP 11 -6.782 1.526 4.844
87 HE1 TRP 11 1HE TRP 11 -8.765 -0.074 4.622
88 HE3 TRP 11 3HE TRP 11 -4.432 -2.935 5.899
89 HZ2 TRP 11 2HZ TRP 11 -9.270 -2.830 4.796
90 HZ3 TRP 11 3HZ TRP 11 -5.732 -4.976 5.790
91 HH2 TRP 11 HH TRP 11 -8.114 -4.935 5.272
92 H SER 12 H SER 12 -5.941 1.738 8.187
93 HA SER 12 HA SER 12 -7.247 -0.641 8.989
94 HB2 SER 12 2HB SER 12 -7.388 0.236 11.415
95 HB3 SER 12 1HB SER 12 -5.880 -0.536 10.928
96 HG SER 12 HG SER 12 -5.106 1.230 11.738
97 H GLY 13 H GLY 13 -8.986 -0.030 7.833
98 HA2 GLY 13 2HA GLY 13 -11.035 1.330 8.638
99 HA3 GLY 13 1HA GLY 13 -9.991 2.668 8.173
100 H VAL 14 H VAL 14 -11.543 3.233 6.588
101 HA VAL 14 HA VAL 14 -11.912 1.346 4.401
102 HB VAL 14 HB VAL 14 -13.839 2.698 5.286
103 HG11 VAL 14 1HG1 VAL 14 -12.417 5.033 4.026
104 HG12 VAL 14 2HG1 VAL 14 -12.692 4.784 5.745
105 HG13 VAL 14 3HG1 VAL 14 -14.060 5.059 4.667
106 HG21 VAL 14 3HG2 VAL 14 -13.993 1.735 3.061
107 HG22 VAL 14 1HG2 VAL 14 -13.151 3.126 2.377
108 HG23 VAL 14 2HG2 VAL 14 -14.757 3.326 3.069
109 H CYS 15 H CYS 15 -11.247 1.820 2.268
110 HA CYS 15 HA CYS 15 -9.084 3.744 2.078
111 HB2 CYS 15 2HB CYS 15 -8.861 1.409 1.145
112 HB3 CYS 15 1HB CYS 15 -10.144 1.804 0.010
113 H GLY 16 H GLY 16 -9.984 5.723 1.899
114 HA2 GLY 16 2HA GLY 16 -12.382 6.055 0.302
115 HA3 GLY 16 1HA GLY 16 -11.600 7.277 1.296
116 H ASN 17 H ASN 17 -8.984 6.884 0.246
117 HA ASN 17 HA ASN 17 -9.359 7.615 -2.545
118 HB2 ASN 17 2HB ASN 17 -7.877 9.249 -0.505
119 HB3 ASN 17 1HB ASN 17 -7.501 9.360 -2.218
120 HD21 ASN 17 1HD2 ASN 17 -9.767 10.114 0.287
121 HD22 ASN 17 2HD2 ASN 17 -10.737 11.165 -0.680
122 H ASN 18 H ASN 18 -8.083 6.693 -3.847
123 HA ASN 18 HA ASN 18 -6.297 4.653 -3.150
124 HB2 ASN 18 2HB ASN 18 -6.543 6.252 -5.711
125 HB3 ASN 18 1HB ASN 18 -5.617 4.769 -5.546
126 HD21 ASN 18 1HD2 ASN 18 -6.660 2.833 -5.733
127 HD22 ASN 18 2HD2 ASN 18 -8.358 2.698 -5.993
128 H ASN 19 H ASN 19 -5.777 7.957 -4.268
129 HA ASN 19 HA ASN 19 -2.964 7.870 -4.153
130 HB2 ASN 19 2HB ASN 19 -3.049 10.400 -4.207
131 HB3 ASN 19 1HB ASN 19 -3.883 9.595 -5.522
132 HD21 ASN 19 1HD2 ASN 19 -5.039 11.500 -5.900
133 HD22 ASN 19 2HD2 ASN 19 -6.334 12.009 -4.882
134 H ALA 20 H ALA 20 -5.313 8.684 -1.764
135 HA ALA 20 HA ALA 20 -3.513 9.803 0.122
136 HB1 ALA 20 1HB ALA 20 -5.941 10.248 0.162
137 HB2 ALA 20 2HB ALA 20 -5.340 9.640 1.704
138 HB3 ALA 20 3HB ALA 20 -6.215 8.567 0.617
139 H CYS 21 H CYS 21 -4.928 6.519 -0.201
140 HA CYS 21 HA CYS 21 -3.482 5.742 2.129
141 HB2 CYS 21 2HB CYS 21 -4.399 3.571 1.888
142 HB3 CYS 21 1HB CYS 21 -5.662 4.694 1.409
143 H LYS 22 H LYS 22 -2.883 5.716 -1.286
144 HA LYS 22 HA LYS 22 -0.690 4.050 -1.574
145 HB2 LYS 22 2HB LYS 22 -1.802 5.431 -3.339
146 HB3 LYS 22 1HB LYS 22 -1.038 6.857 -2.669
147 HG2 LYS 22 2HG LYS 22 1.179 5.729 -3.174
148 HG3 LYS 22 1HG LYS 22 0.253 4.545 -4.096
149 HD2 LYS 22 2HD LYS 22 0.333 7.532 -4.589
150 HD3 LYS 22 1HD LYS 22 1.086 6.289 -5.575
151 HE2 LYS 22 2HE LYS 22 -1.047 5.424 -6.214
152 HE3 LYS 22 1HE LYS 22 -1.889 6.493 -5.100
153 HZ1 LYS 22 3HZ LYS 22 -0.319 7.345 -7.478
154 HZ2 LYS 22 1HZ LYS 22 -1.109 8.382 -6.423
155 HZ3 LYS 22 2HZ LYS 22 -1.993 7.318 -7.380
156 H ASN 23 H ASN 23 -0.762 7.497 -0.789
157 HA ASN 23 HA ASN 23 1.908 7.771 -0.042
158 HB2 ASN 23 2HB ASN 23 0.670 9.685 -0.731
159 HB3 ASN 23 1HB ASN 23 -0.565 9.406 0.485
160 HD21 ASN 23 1HD2 ASN 23 -0.251 10.116 2.508
161 HD22 ASN 23 2HD2 ASN 23 1.035 11.160 2.962
162 H GLN 24 H GLN 24 -0.991 7.003 1.797
163 HA GLN 24 HA GLN 24 0.069 7.224 4.372
164 HB2 GLN 24 2HB GLN 24 -2.381 6.969 3.702
165 HB3 GLN 24 1HB GLN 24 -2.048 5.261 3.471
166 HG2 GLN 24 2HG GLN 24 -1.611 6.629 6.106
167 HG3 GLN 24 1HG GLN 24 -3.172 5.977 5.631
168 HE21 GLN 24 1HE2 GLN 24 -1.365 5.292 7.806
169 HE22 GLN 24 2HE2 GLN 24 -0.981 3.623 7.663
170 H CYS 25 H CYS 25 0.076 4.491 2.075
171 HA CYS 25 HA CYS 25 1.266 2.649 3.860
172 HB2 CYS 25 2HB CYS 25 1.300 2.801 0.826
173 HB3 CYS 25 1HB CYS 25 2.007 1.476 1.747
174 H ILE 26 H ILE 26 2.538 4.662 1.290
175 HA ILE 26 HA ILE 26 5.236 4.067 1.392
176 HB ILE 26 HB ILE 26 3.771 6.571 0.548
177 HG12 ILE 26 2HG1 ILE 26 4.956 4.409 -1.176
178 HG13 ILE 26 1HG1 ILE 26 3.310 4.329 -0.556
179 HG21 ILE 26 1HG2 ILE 26 5.762 7.142 -0.771
180 HG22 ILE 26 2HG2 ILE 26 6.626 5.790 -0.034
181 HG23 ILE 26 3HG2 ILE 26 6.097 7.147 0.961
182 HD11 ILE 26 3HD1 ILE 26 2.725 6.295 -1.667
183 HD12 ILE 26 1HD1 ILE 26 3.419 5.183 -2.839
184 HD13 ILE 26 2HD1 ILE 26 4.378 6.568 -2.261
185 H ARG 27 H ARG 27 3.406 6.424 3.274
186 HA ARG 27 HA ARG 27 5.821 7.449 4.422
187 HB2 ARG 27 2HB ARG 27 2.968 8.147 4.820
188 HB3 ARG 27 1HB ARG 27 4.251 8.841 5.809
189 HG2 ARG 27 2HG ARG 27 5.315 9.637 3.703
190 HG3 ARG 27 1HG ARG 27 3.870 9.089 2.840
191 HD2 ARG 27 2HD ARG 27 2.509 10.472 4.239
192 HD3 ARG 27 1HD ARG 27 3.923 11.057 5.103
193 HE ARG 27 HE ARG 27 3.525 11.482 2.225
194 HH11 ARG 27 1HH1 ARG 27 4.405 12.763 5.436
195 HH12 ARG 27 2HH1 ARG 27 4.748 14.325 4.847
196 HH21 ARG 27 1HH2 ARG 27 4.016 13.673 1.481
197 HH22 ARG 27 2HH2 ARG 27 4.505 14.849 2.613
198 H LEU 28 H LEU 28 3.526 4.975 5.341
199 HA LEU 28 HA LEU 28 4.593 5.338 8.021
200 HB2 LEU 28 2HB LEU 28 1.911 4.213 7.285
201 HB3 LEU 28 1HB LEU 28 2.623 3.905 8.852
202 HG LEU 28 HG LEU 28 2.769 6.456 9.091
203 HD11 LEU 28 1HD1 LEU 28 0.790 6.407 6.855
204 HD12 LEU 28 2HD1 LEU 28 2.394 7.141 6.849
205 HD13 LEU 28 3HD1 LEU 28 1.133 7.785 7.901
206 HD21 LEU 28 3HD2 LEU 28 1.252 5.173 10.423
207 HD22 LEU 28 1HD2 LEU 28 0.093 5.091 9.095
208 HD23 LEU 28 2HD2 LEU 28 0.439 6.636 9.867
209 H GLU 29 H GLU 29 3.790 2.658 5.829
210 HA GLU 29 HA GLU 29 5.847 1.253 7.364
211 HB2 GLU 29 2HB GLU 29 4.969 -0.891 6.505
212 HB3 GLU 29 1HB GLU 29 3.812 -0.029 7.505
213 HG2 GLU 29 2HG GLU 29 2.614 0.643 5.474
214 HG3 GLU 29 1HG GLU 29 3.799 -0.237 4.500
215 H LYS 30 H LYS 30 5.457 2.964 4.816
216 HA LYS 30 HA LYS 30 6.624 3.518 3.066
217 HB2 LYS 30 2HB LYS 30 8.866 1.943 4.308
218 HB3 LYS 30 1HB LYS 30 9.027 3.123 3.013
219 HG2 LYS 30 2HG LYS 30 8.064 4.836 4.559
220 HG3 LYS 30 1HG LYS 30 8.141 3.636 5.844
221 HD2 LYS 30 2HD LYS 30 10.081 5.011 6.016
222 HD3 LYS 30 1HD LYS 30 10.605 3.446 5.386
223 HE2 LYS 30 2HE LYS 30 11.682 5.268 4.199
224 HE3 LYS 30 1HE LYS 30 10.611 4.389 3.113
225 HZ1 LYS 30 3HZ LYS 30 8.941 6.160 3.440
226 HZ2 LYS 30 1HZ LYS 30 10.372 6.766 2.825
227 HZ3 LYS 30 2HZ LYS 30 9.998 6.984 4.446
228 H ALA 31 H ALA 31 5.018 2.068 2.150
229 HA ALA 31 HA ALA 31 6.079 -0.181 0.699
230 HB1 ALA 31 1HB ALA 31 3.714 -0.102 1.392
231 HB2 ALA 31 2HB ALA 31 3.891 -0.274 -0.355
232 HB3 ALA 31 3HB ALA 31 3.473 1.294 0.335
233 H ARG 32 H ARG 32 5.431 -0.030 -1.812
234 HA ARG 32 HA ARG 32 6.994 2.228 -2.809
235 HB2 ARG 32 2HB ARG 32 7.588 -0.097 -3.479
236 HB3 ARG 32 1HB ARG 32 6.011 -0.263 -4.235
237 HG2 ARG 32 2HG ARG 32 7.620 0.165 -5.941
238 HG3 ARG 32 1HG ARG 32 6.632 1.615 -5.747
239 HD2 ARG 32 2HD ARG 32 8.411 2.594 -4.333
240 HD3 ARG 32 1HD ARG 32 9.391 1.160 -4.616
241 HE ARG 32 HE ARG 32 8.565 2.281 -7.054
242 HH11 ARG 32 1HH1 ARG 32 10.845 2.891 -4.406
243 HH12 ARG 32 2HH1 ARG 32 11.962 3.754 -5.358
244 HH21 ARG 32 1HH2 ARG 32 10.116 3.449 -8.380
245 HH22 ARG 32 2HH2 ARG 32 11.528 4.090 -7.686
246 H HIS 33 H HIS 33 3.826 0.812 -2.788
247 HA HIS 33 HA HIS 33 2.591 3.151 -3.878
248 HB2 HIS 33 2HB HIS 33 3.224 1.888 -5.919
249 HB3 HIS 33 1HB HIS 33 2.453 0.446 -5.309
250 HD1 HIS 33 1HD HIS 33 1.637 3.871 -6.665
251 HD2 HIS 33 2HD HIS 33 -0.224 0.239 -5.898
252 HE1 HIS 33 1HE HIS 33 -0.657 4.047 -7.664
253 H GLY 34 H GLY 34 0.060 2.602 -3.831
254 HA2 GLY 34 2HA GLY 34 -0.800 0.457 -2.191
255 HA3 GLY 34 1HA GLY 34 -0.842 2.006 -1.343
256 H SER 35 H SER 35 -3.142 0.385 -2.254
257 HA SER 35 HA SER 35 -4.580 2.536 -3.492
258 HB2 SER 35 2HB SER 35 -3.382 1.661 -5.461
259 HB3 SER 35 1HB SER 35 -4.078 0.073 -5.161
260 HG SER 35 HG SER 35 -5.921 0.698 -5.928
261 H CYS 36 H CYS 36 -6.793 2.247 -3.462
262 HA CYS 36 HA CYS 36 -8.028 0.278 -1.873
263 HB2 CYS 36 2HB CYS 36 -9.274 1.811 -4.181
264 HB3 CYS 36 1HB CYS 36 -10.113 1.119 -2.804
265 H ASN 37 H ASN 37 -8.158 -1.801 -2.438
266 HA ASN 37 HA ASN 37 -8.128 -2.403 -5.324
267 HB2 ASN 37 2HB ASN 37 -5.973 -2.994 -4.325
268 HB3 ASN 37 1HB ASN 37 -6.787 -4.008 -3.143
269 HD21 ASN 37 1HD2 ASN 37 -5.955 -3.674 -6.526
270 HD22 ASN 37 2HD2 ASN 37 -6.153 -5.341 -6.923
271 H TYR 38 H TYR 38 -9.695 -2.953 -2.353
272 HA TYR 38 HA TYR 38 -11.173 -5.155 -3.542
273 HB2 TYR 38 2HB TYR 38 -10.390 -5.292 -1.098
274 HB3 TYR 38 1HB TYR 38 -11.582 -4.048 -0.742
275 HD1 TYR 38 1HD TYR 38 -11.398 -7.400 -2.404
276 HD2 TYR 38 2HD TYR 38 -13.685 -4.759 0.016
277 HE1 TYR 38 1HE TYR 38 -13.097 -9.131 -2.127
278 HE2 TYR 38 2HE TYR 38 -15.386 -6.482 0.299
279 HH TYR 38 HH TYR 38 -16.168 -8.493 -0.863
280 H VAL 39 H VAL 39 -13.673 -4.846 -2.676
281 HA VAL 39 HA VAL 39 -14.561 -2.411 -4.012
282 HB VAL 39 HB VAL 39 -16.337 -3.850 -5.085
283 HG11 VAL 39 1HG1 VAL 39 -14.896 -4.773 -6.820
284 HG12 VAL 39 2HG1 VAL 39 -13.496 -4.586 -5.764
285 HG13 VAL 39 3HG1 VAL 39 -14.357 -3.161 -6.343
286 HG21 VAL 39 3HG2 VAL 39 -14.608 -6.115 -4.072
287 HG22 VAL 39 1HG2 VAL 39 -15.946 -6.277 -5.209
288 HG23 VAL 39 2HG2 VAL 39 -16.254 -5.755 -3.553
289 H PHE 40 H PHE 40 -17.255 -3.020 -3.784
290 HA PHE 40 HA PHE 40 -17.905 -2.276 -1.168
291 HB2 PHE 40 2HB PHE 40 -19.318 -1.919 -3.218
292 HB3 PHE 40 1HB PHE 40 -19.667 -3.638 -3.246
293 HD1 PHE 40 2HD PHE 40 -20.138 -0.509 -1.353
294 HD2 PHE 40 1HD PHE 40 -21.385 -4.544 -1.875
295 HE1 PHE 40 2HE PHE 40 -22.060 -0.100 0.117
296 HE2 PHE 40 1HE PHE 40 -23.312 -4.140 -0.406
297 HZ PHE 40 HZ PHE 40 -23.650 -1.912 0.595
298 HA PRO 41 HA PRO 41 -19.485 -2.602 0.359
299 HB2 PRO 41 2HB PRO 41 -19.332 -3.519 3.036
300 HB3 PRO 41 1HB PRO 41 -20.748 -3.496 1.984
301 HG2 PRO 41 2HG PRO 41 -19.491 -5.796 2.913
302 HG3 PRO 41 1HG PRO 41 -20.563 -5.717 1.508
303 HD2 PRO 41 2HD PRO 41 -17.573 -5.708 1.615
304 HD3 PRO 41 1HD PRO 41 -18.652 -6.516 0.458
305 H ALA 42 H ALA 42 -16.410 -3.915 1.148
306 HA ALA 42 HA ALA 42 -15.721 -1.410 2.488
307 HB1 ALA 42 1HB ALA 42 -14.732 -4.129 3.330
308 HB2 ALA 42 2HB ALA 42 -15.951 -3.176 4.174
309 HB3 ALA 42 3HB ALA 42 -14.293 -2.585 4.059
310 H HIS 43 H HIS 43 -14.791 -0.555 0.691
311 HA HIS 43 HA HIS 43 -12.790 -1.777 -0.857
312 HB2 HIS 43 2HB HIS 43 -13.193 1.180 -0.286
313 HB3 HIS 43 1HB HIS 43 -12.174 0.506 -1.552
314 HD1 HIS 43 1HD HIS 43 -15.746 1.256 -0.733
315 HD2 HIS 43 2HD HIS 43 -13.529 -0.525 -3.740
316 HE1 HIS 43 1HE HIS 43 -17.314 1.037 -2.697
317 H LYS 44 H LYS 44 -11.130 -2.633 0.123
318 HA LYS 44 HA LYS 44 -9.802 -1.330 2.376
319 HB2 LYS 44 2HB LYS 44 -9.036 -3.926 1.033
320 HB3 LYS 44 1HB LYS 44 -8.549 -3.288 2.608
321 HG2 LYS 44 2HG LYS 44 -10.787 -3.617 3.489
322 HG3 LYS 44 1HG LYS 44 -11.368 -4.123 1.907
323 HD2 LYS 44 2HD LYS 44 -9.280 -5.586 3.544
324 HD3 LYS 44 1HD LYS 44 -10.982 -6.032 3.445
325 HE2 LYS 44 2HE LYS 44 -10.720 -6.383 1.015
326 HE3 LYS 44 1HE LYS 44 -9.013 -5.974 1.151
327 HZ1 LYS 44 3HZ LYS 44 -10.362 -8.293 2.427
328 HZ2 LYS 44 1HZ LYS 44 -8.734 -7.918 2.619
329 HZ3 LYS 44 2HZ LYS 44 -9.328 -8.351 1.113
330 H CYS 45 H CYS 45 -7.582 -0.698 2.288
331 HA CYS 45 HA CYS 45 -6.578 -0.359 -0.427
332 HB2 CYS 45 2HB CYS 45 -6.620 1.688 1.005
333 HB3 CYS 45 1HB CYS 45 -5.544 0.873 2.143
334 H ILE 46 H ILE 46 -4.874 -1.450 -1.063
335 HA ILE 46 HA ILE 46 -3.607 -3.175 0.939
336 HB ILE 46 HB ILE 46 -3.689 -3.737 -2.055
337 HG12 ILE 46 2HG1 ILE 46 -6.035 -3.656 -1.210
338 HG13 ILE 46 1HG1 ILE 46 -5.535 -5.265 -1.733
339 HG21 ILE 46 1HG2 ILE 46 -3.242 -5.429 0.386
340 HG22 ILE 46 2HG2 ILE 46 -2.003 -4.940 -0.774
341 HG23 ILE 46 3HG2 ILE 46 -3.298 -6.058 -1.253
342 HD11 ILE 46 3HD1 ILE 46 -5.737 -4.305 1.119
343 HD12 ILE 46 1HD1 ILE 46 -5.227 -5.912 0.593
344 HD13 ILE 46 2HD1 ILE 46 -6.878 -5.368 0.283
345 H CYS 47 H CYS 47 -1.342 -3.059 0.997
346 HA CYS 47 HA CYS 47 -0.291 -0.756 -0.416
347 HB2 CYS 47 2HB CYS 47 0.926 -2.460 1.778
348 HB3 CYS 47 1HB CYS 47 1.715 -1.073 1.048
349 H TYR 48 H TYR 48 1.397 -0.867 -1.820
350 HA TYR 48 HA TYR 48 1.941 -3.552 -2.823
351 HB2 TYR 48 2HB TYR 48 1.625 -0.932 -4.229
352 HB3 TYR 48 1HB TYR 48 2.454 -2.287 -5.002
353 HD1 TYR 48 2HD TYR 48 -0.783 -1.120 -3.600
354 HD2 TYR 48 1HD TYR 48 1.199 -4.089 -5.916
355 HE1 TYR 48 2HE TYR 48 -2.948 -2.029 -4.281
356 HE2 TYR 48 1HE TYR 48 -0.961 -5.001 -6.604
357 HH TYR 48 HH TYR 48 -3.837 -3.382 -6.192
358 H PHE 49 H PHE 49 3.895 -4.227 -2.798
359 HA PHE 49 HA PHE 49 6.029 -2.330 -2.218
360 HB2 PHE 49 2HB PHE 49 5.603 -5.194 -1.337
361 HB3 PHE 49 1HB PHE 49 7.149 -4.374 -1.173
362 HD1 PHE 49 2HD PHE 49 3.638 -4.407 -0.053
363 HD2 PHE 49 1HD PHE 49 7.522 -2.777 0.534
364 HE1 PHE 49 2HE PHE 49 2.910 -3.443 2.091
365 HE2 PHE 49 1HE PHE 49 6.792 -1.809 2.673
366 HZ PHE 49 HZ PHE 49 4.475 -2.150 3.448
367 HA PRO 50 HA PRO 50 7.867 -3.973 -5.879
368 HB2 PRO 50 2HB PRO 50 10.490 -3.460 -5.466
369 HB3 PRO 50 1HB PRO 50 9.309 -2.184 -5.776
370 HG2 PRO 50 2HG PRO 50 10.666 -2.911 -3.258
371 HG3 PRO 50 1HG PRO 50 9.943 -1.373 -3.751
372 HD2 PRO 50 2HD PRO 50 8.793 -3.372 -2.044
373 HD3 PRO 50 1HD PRO 50 8.055 -1.868 -2.607
374 H CYS 51 H CYS 51 7.781 -6.074 -6.138
375 HA CYS 51 HA CYS 51 9.577 -7.786 -4.634
376 HB2 CYS 51 2HB CYS 51 7.059 -8.339 -6.189
377 HB3 CYS 51 1HB CYS 51 8.180 -9.636 -5.797
Start of MODEL 14
1 H1 GLN 1 1HT GLN 1 5.509 -4.103 -13.657
2 H2 GLN 1 2HT GLN 1 7.129 -3.613 -13.670
3 H3 GLN 1 3HT GLN 1 6.148 -3.376 -12.302
4 HA GLN 1 HA GLN 1 6.830 -6.023 -13.336
5 HB2 GLN 1 2HB GLN 1 7.787 -4.611 -10.831
6 HB3 GLN 1 1HB GLN 1 8.225 -6.233 -11.357
7 HG2 GLN 1 2HG GLN 1 8.973 -3.638 -12.660
8 HG3 GLN 1 1HG GLN 1 10.040 -4.719 -11.771
9 HE21 GLN 1 1HE2 GLN 1 10.232 -3.755 -14.480
10 HE22 GLN 1 2HE2 GLN 1 10.274 -5.131 -15.501
11 H LYS 2 H LYS 2 6.467 -7.390 -10.963
12 HA LYS 2 HA LYS 2 3.640 -6.947 -10.629
13 HB2 LYS 2 2HB LYS 2 4.479 -9.274 -10.901
14 HB3 LYS 2 1HB LYS 2 5.340 -9.108 -9.373
15 HG2 LYS 2 2HG LYS 2 3.167 -8.692 -8.246
16 HG3 LYS 2 1HG LYS 2 2.354 -9.012 -9.774
17 HD2 LYS 2 2HD LYS 2 3.289 -11.286 -9.777
18 HD3 LYS 2 1HD LYS 2 4.094 -10.935 -8.243
19 HE2 LYS 2 2HE LYS 2 1.877 -10.496 -7.224
20 HE3 LYS 2 1HE LYS 2 1.127 -10.955 -8.743
21 HZ1 LYS 2 3HZ LYS 2 1.147 -12.782 -7.129
22 HZ2 LYS 2 1HZ LYS 2 2.823 -12.738 -7.089
23 HZ3 LYS 2 2HZ LYS 2 2.025 -13.178 -8.506
24 H LEU 3 H LEU 3 2.740 -5.980 -9.008
25 HA LEU 3 HA LEU 3 4.410 -5.195 -6.771
26 HB2 LEU 3 2HB LEU 3 1.717 -4.194 -7.685
27 HB3 LEU 3 1HB LEU 3 2.568 -3.627 -6.265
28 HG LEU 3 HG LEU 3 3.523 -3.318 -9.115
29 HD11 LEU 3 1HD1 LEU 3 3.075 -0.940 -8.772
30 HD12 LEU 3 2HD1 LEU 3 2.405 -1.298 -7.180
31 HD13 LEU 3 3HD1 LEU 3 1.608 -1.907 -8.630
32 HD21 LEU 3 3HD2 LEU 3 4.691 -2.293 -6.521
33 HD22 LEU 3 1HD2 LEU 3 5.245 -1.852 -8.136
34 HD23 LEU 3 2HD2 LEU 3 5.403 -3.512 -7.578
35 H CYS 4 H CYS 4 4.284 -6.262 -5.016
36 HA CYS 4 HA CYS 4 2.374 -8.326 -4.535
37 HB2 CYS 4 2HB CYS 4 4.567 -7.117 -2.834
38 HB3 CYS 4 1HB CYS 4 3.571 -8.455 -2.307
39 H GLN 5 H GLN 5 0.468 -8.015 -3.623
40 HA GLN 5 HA GLN 5 -0.096 -5.416 -2.488
41 HB2 GLN 5 2HB GLN 5 -2.466 -6.073 -2.723
42 HB3 GLN 5 1HB GLN 5 -1.585 -6.126 -4.236
43 HG2 GLN 5 2HG GLN 5 -1.391 -8.575 -3.976
44 HG3 GLN 5 1HG GLN 5 -2.407 -8.464 -2.538
45 HE21 GLN 5 1HE2 GLN 5 -4.557 -7.824 -2.793
46 HE22 GLN 5 2HE2 GLN 5 -5.382 -7.970 -4.300
47 H ARG 6 H ARG 6 -0.754 -5.079 -0.431
48 HA ARG 6 HA ARG 6 -1.011 -7.373 1.351
49 HB2 ARG 6 2HB ARG 6 1.357 -6.664 1.277
50 HB3 ARG 6 1HB ARG 6 0.858 -5.059 1.748
51 HG2 ARG 6 2HG ARG 6 0.120 -5.809 3.862
52 HG3 ARG 6 1HG ARG 6 0.395 -7.506 3.409
53 HD2 ARG 6 2HD ARG 6 2.470 -5.344 3.671
54 HD3 ARG 6 1HD ARG 6 2.214 -6.677 4.793
55 HE ARG 6 HE ARG 6 2.595 -7.841 2.342
56 HH11 ARG 6 1HH1 ARG 6 4.480 -5.726 4.418
57 HH12 ARG 6 2HH1 ARG 6 5.993 -6.300 3.905
58 HH21 ARG 6 1HH2 ARG 6 4.598 -8.631 1.605
59 HH22 ARG 6 2HH2 ARG 6 6.062 -8.000 2.218
60 HA PRO 7 HA PRO 7 -3.995 -4.322 2.940
61 HB2 PRO 7 2HB PRO 7 -4.933 -6.436 4.703
62 HB3 PRO 7 1HB PRO 7 -5.785 -5.627 3.381
63 HG2 PRO 7 2HG PRO 7 -4.995 -8.253 3.280
64 HG3 PRO 7 1HG PRO 7 -5.193 -7.227 1.849
65 HD2 PRO 7 2HD PRO 7 -2.687 -7.989 3.302
66 HD3 PRO 7 1HD PRO 7 -2.983 -7.839 1.553
67 H SER 8 H SER 8 -2.298 -3.310 3.908
68 HA SER 8 HA SER 8 -0.907 -4.340 6.137
69 HB2 SER 8 2HB SER 8 -0.922 -1.666 4.815
70 HB3 SER 8 1HB SER 8 0.228 -2.170 6.054
71 HG SER 8 HG SER 8 1.251 -2.741 4.367
72 H GLY 9 H GLY 9 -0.599 -3.163 8.148
73 HA2 GLY 9 2HA GLY 9 -3.174 -2.673 9.345
74 HA3 GLY 9 1HA GLY 9 -1.642 -2.852 10.181
75 H THR 10 H THR 10 -0.898 -0.679 7.908
76 HA THR 10 HA THR 10 -1.056 1.535 9.677
77 HB THR 10 HB THR 10 -0.307 2.765 7.535
78 HG1 THR 10 1HG THR 10 0.560 0.430 6.378
79 HG21 THR 10 3HG2 THR 10 1.227 2.105 9.286
80 HG22 THR 10 1HG2 THR 10 1.961 1.805 7.711
81 HG23 THR 10 2HG2 THR 10 1.300 0.460 8.646
82 H TRP 11 H TRP 11 -2.347 1.027 6.499
83 HA TRP 11 HA TRP 11 -4.558 2.758 6.607
84 HB2 TRP 11 2HB TRP 11 -4.290 1.962 4.436
85 HB3 TRP 11 1HB TRP 11 -3.879 0.335 4.974
86 HD1 TRP 11 HD TRP 11 -6.998 2.563 4.379
87 HE1 TRP 11 1HE TRP 11 -9.049 1.015 4.132
88 HE3 TRP 11 3HE TRP 11 -4.760 -1.917 5.340
89 HZ2 TRP 11 2HZ TRP 11 -9.613 -1.726 4.308
90 HZ3 TRP 11 3HZ TRP 11 -6.109 -3.964 5.266
91 HH2 TRP 11 HH TRP 11 -8.488 -3.877 4.765
92 H SER 12 H SER 12 -6.660 2.533 7.397
93 HA SER 12 HA SER 12 -7.589 -0.037 8.307
94 HB2 SER 12 2HB SER 12 -7.470 2.376 10.149
95 HB3 SER 12 1HB SER 12 -8.254 0.840 10.520
96 HG SER 12 HG SER 12 -5.755 0.414 9.681
97 H GLY 13 H GLY 13 -9.629 -0.245 7.507
98 HA2 GLY 13 2HA GLY 13 -11.895 0.709 7.717
99 HA3 GLY 13 1HA GLY 13 -11.186 2.231 7.218
100 H VAL 14 H VAL 14 -11.690 2.748 5.244
101 HA VAL 14 HA VAL 14 -11.866 0.692 3.158
102 HB VAL 14 HB VAL 14 -14.135 1.277 4.094
103 HG11 VAL 14 1HG1 VAL 14 -13.815 3.547 4.710
104 HG12 VAL 14 2HG1 VAL 14 -15.159 3.435 3.575
105 HG13 VAL 14 3HG1 VAL 14 -13.589 4.021 3.026
106 HG21 VAL 14 3HG2 VAL 14 -13.997 0.451 1.801
107 HG22 VAL 14 1HG2 VAL 14 -13.755 2.093 1.211
108 HG23 VAL 14 2HG2 VAL 14 -15.291 1.638 1.951
109 H CYS 15 H CYS 15 -11.882 1.906 0.917
110 HA CYS 15 HA CYS 15 -9.703 3.699 0.832
111 HB2 CYS 15 2HB CYS 15 -10.138 2.251 -1.053
112 HB3 CYS 15 1HB CYS 15 -11.746 2.932 -1.261
113 H GLY 16 H GLY 16 -9.833 5.667 1.614
114 HA2 GLY 16 2HA GLY 16 -12.261 7.246 1.222
115 HA3 GLY 16 1HA GLY 16 -10.945 7.618 2.339
116 H ASN 17 H ASN 17 -8.738 7.630 1.017
117 HA ASN 17 HA ASN 17 -9.074 9.096 -1.483
118 HB2 ASN 17 2HB ASN 17 -7.413 10.070 0.863
119 HB3 ASN 17 1HB ASN 17 -7.279 10.709 -0.765
120 HD21 ASN 17 1HD2 ASN 17 -9.106 10.640 2.139
121 HD22 ASN 17 2HD2 ASN 17 -10.206 11.894 1.732
122 H ASN 18 H ASN 18 -7.897 8.097 -2.923
123 HA ASN 18 HA ASN 18 -6.137 5.992 -2.606
124 HB2 ASN 18 2HB ASN 18 -6.285 8.080 -4.795
125 HB3 ASN 18 1HB ASN 18 -5.247 6.670 -4.889
126 HD21 ASN 18 1HD2 ASN 18 -6.085 4.822 -5.572
127 HD22 ASN 18 2HD2 ASN 18 -7.741 4.544 -5.947
128 H ASN 19 H ASN 19 -5.383 9.388 -3.043
129 HA ASN 19 HA ASN 19 -2.586 9.202 -3.035
130 HB2 ASN 19 2HB ASN 19 -2.560 11.619 -2.691
131 HB3 ASN 19 1HB ASN 19 -3.806 11.193 -3.856
132 HD21 ASN 19 1HD2 ASN 19 -3.141 12.508 -0.732
133 HD22 ASN 19 2HD2 ASN 19 -4.752 13.016 -0.376
134 H ALA 20 H ALA 20 -4.857 9.433 -0.406
135 HA ALA 20 HA ALA 20 -2.922 10.286 1.528
136 HB1 ALA 20 1HB ALA 20 -5.698 9.208 1.983
137 HB2 ALA 20 2HB ALA 20 -5.296 10.903 1.716
138 HB3 ALA 20 3HB ALA 20 -4.705 10.073 3.154
139 H CYS 21 H CYS 21 -4.588 7.217 0.857
140 HA CYS 21 HA CYS 21 -3.139 5.986 2.964
141 HB2 CYS 21 2HB CYS 21 -4.156 3.843 2.057
142 HB3 CYS 21 1HB CYS 21 -5.250 5.065 2.683
143 H LYS 22 H LYS 22 -2.692 6.175 -0.520
144 HA LYS 22 HA LYS 22 -0.656 4.320 -0.851
145 HB2 LYS 22 2HB LYS 22 -1.639 5.606 -2.708
146 HB3 LYS 22 1HB LYS 22 -0.943 7.082 -2.064
147 HG2 LYS 22 2HG LYS 22 1.276 6.354 -2.579
148 HG3 LYS 22 1HG LYS 22 0.707 4.741 -3.007
149 HD2 LYS 22 2HD LYS 22 1.188 6.026 -5.001
150 HD3 LYS 22 1HD LYS 22 -0.542 5.704 -4.904
151 HE2 LYS 22 2HE LYS 22 -0.218 7.964 -5.629
152 HE3 LYS 22 1HE LYS 22 -0.830 8.005 -3.981
153 HZ1 LYS 22 3HZ LYS 22 1.481 8.404 -3.216
154 HZ2 LYS 22 1HZ LYS 22 0.948 9.585 -4.279
155 HZ3 LYS 22 2HZ LYS 22 2.005 8.406 -4.809
156 H ASN 23 H ASN 23 -0.418 7.789 -0.013
157 HA ASN 23 HA ASN 23 2.282 7.941 0.461
158 HB2 ASN 23 2HB ASN 23 0.628 9.792 0.168
159 HB3 ASN 23 1HB ASN 23 0.039 9.447 1.787
160 HD21 ASN 23 1HD2 ASN 23 0.577 11.353 2.633
161 HD22 ASN 23 2HD2 ASN 23 2.214 11.833 2.861
162 H GLN 24 H GLN 24 -0.459 7.199 2.603
163 HA GLN 24 HA GLN 24 0.890 7.119 5.039
164 HB2 GLN 24 2HB GLN 24 -1.564 7.145 4.870
165 HB3 GLN 24 1HB GLN 24 -1.529 5.532 4.176
166 HG2 GLN 24 2HG GLN 24 -0.662 4.627 6.253
167 HG3 GLN 24 1HG GLN 24 -0.624 6.241 6.957
168 HE21 GLN 24 1HE2 GLN 24 -1.993 5.658 8.597
169 HE22 GLN 24 2HE2 GLN 24 -3.679 5.375 8.368
170 H CYS 25 H CYS 25 0.529 4.617 2.565
171 HA CYS 25 HA CYS 25 1.639 2.550 4.158
172 HB2 CYS 25 2HB CYS 25 1.499 2.927 1.156
173 HB3 CYS 25 1HB CYS 25 2.056 1.441 1.955
174 H ILE 26 H ILE 26 2.889 4.686 1.678
175 HA ILE 26 HA ILE 26 5.528 3.743 1.538
176 HB ILE 26 HB ILE 26 4.339 6.423 0.791
177 HG12 ILE 26 2HG1 ILE 26 4.986 4.081 -0.982
178 HG13 ILE 26 1HG1 ILE 26 3.420 4.276 -0.206
179 HG21 ILE 26 1HG2 ILE 26 6.959 5.183 -0.088
180 HG22 ILE 26 2HG2 ILE 26 6.790 6.590 0.961
181 HG23 ILE 26 3HG2 ILE 26 6.263 6.675 -0.720
182 HD11 ILE 26 3HD1 ILE 26 3.079 6.322 -1.300
183 HD12 ILE 26 1HD1 ILE 26 3.414 5.071 -2.491
184 HD13 ILE 26 2HD1 ILE 26 4.675 6.256 -2.077
185 H ARG 27 H ARG 27 4.062 6.157 3.588
186 HA ARG 27 HA ARG 27 6.663 7.023 4.560
187 HB2 ARG 27 2HB ARG 27 3.927 7.874 5.420
188 HB3 ARG 27 1HB ARG 27 5.439 8.672 5.862
189 HG2 ARG 27 2HG ARG 27 4.142 8.495 3.157
190 HG3 ARG 27 1HG ARG 27 4.321 9.930 4.160
191 HD2 ARG 27 2HD ARG 27 6.706 9.909 3.834
192 HD3 ARG 27 1HD ARG 27 6.609 8.356 2.996
193 HE ARG 27 HE ARG 27 4.947 10.237 1.769
194 HH11 ARG 27 1HH1 ARG 27 8.366 9.342 2.060
195 HH12 ARG 27 2HH1 ARG 27 8.836 10.005 0.570
196 HH21 ARG 27 1HH2 ARG 27 5.570 11.129 -0.314
197 HH22 ARG 27 2HH2 ARG 27 7.190 11.042 -0.837
198 H LEU 28 H LEU 28 4.332 4.632 5.492
199 HA LEU 28 HA LEU 28 5.339 4.881 8.229
200 HB2 LEU 28 2HB LEU 28 2.725 3.815 7.204
201 HB3 LEU 28 1HB LEU 28 3.343 3.245 8.724
202 HG LEU 28 HG LEU 28 1.700 4.997 9.018
203 HD11 LEU 28 1HD1 LEU 28 3.433 4.763 10.696
204 HD12 LEU 28 2HD1 LEU 28 2.933 6.444 10.535
205 HD13 LEU 28 3HD1 LEU 28 4.454 5.911 9.827
206 HD21 LEU 28 3HD2 LEU 28 2.005 6.312 7.011
207 HD22 LEU 28 1HD2 LEU 28 3.623 6.782 7.533
208 HD23 LEU 28 2HD2 LEU 28 2.218 7.344 8.428
209 H GLU 29 H GLU 29 4.560 2.375 5.884
210 HA GLU 29 HA GLU 29 6.514 0.707 7.292
211 HB2 GLU 29 2HB GLU 29 5.391 -1.200 6.137
212 HB3 GLU 29 1HB GLU 29 4.383 -0.338 7.287
213 HG2 GLU 29 2HG GLU 29 3.456 0.939 5.331
214 HG3 GLU 29 1HG GLU 29 4.287 -0.225 4.295
215 H LYS 30 H LYS 30 6.004 2.562 4.678
216 HA LYS 30 HA LYS 30 7.203 3.194 2.976
217 HB2 LYS 30 2HB LYS 30 9.372 1.398 4.059
218 HB3 LYS 30 1HB LYS 30 9.597 2.572 2.767
219 HG2 LYS 30 2HG LYS 30 8.911 4.368 4.336
220 HG3 LYS 30 1HG LYS 30 8.810 3.167 5.616
221 HD2 LYS 30 2HD LYS 30 11.286 3.812 4.040
222 HD3 LYS 30 1HD LYS 30 10.925 4.461 5.637
223 HE2 LYS 30 2HE LYS 30 10.911 2.163 6.526
224 HE3 LYS 30 1HE LYS 30 11.318 1.557 4.922
225 HZ1 LYS 30 3HZ LYS 30 13.298 1.736 6.267
226 HZ2 LYS 30 1HZ LYS 30 12.979 3.360 6.589
227 HZ3 LYS 30 2HZ LYS 30 13.373 2.888 5.033
228 H ALA 31 H ALA 31 5.424 1.957 2.110
229 HA ALA 31 HA ALA 31 6.135 -0.382 0.609
230 HB1 ALA 31 1HB ALA 31 3.875 -0.196 -0.313
231 HB2 ALA 31 2HB ALA 31 3.685 1.374 0.464
232 HB3 ALA 31 3HB ALA 31 3.852 -0.083 1.448
233 H ARG 32 H ARG 32 5.631 -0.289 -1.781
234 HA ARG 32 HA ARG 32 7.271 1.809 -2.951
235 HB2 ARG 32 2HB ARG 32 7.647 -0.563 -3.467
236 HB3 ARG 32 1HB ARG 32 6.022 -0.693 -4.120
237 HG2 ARG 32 2HG ARG 32 7.657 -0.552 -5.887
238 HG3 ARG 32 1HG ARG 32 6.647 0.895 -5.881
239 HD2 ARG 32 2HD ARG 32 8.367 2.148 -4.766
240 HD3 ARG 32 1HD ARG 32 9.372 0.702 -4.602
241 HE ARG 32 HE ARG 32 9.088 0.786 -7.199
242 HH11 ARG 32 1HH1 ARG 32 9.801 3.437 -4.990
243 HH12 ARG 32 2HH1 ARG 32 10.680 4.347 -6.127
244 HH21 ARG 32 1HH2 ARG 32 10.337 1.975 -8.738
245 HH22 ARG 32 2HH2 ARG 32 11.009 3.493 -8.315
246 H HIS 33 H HIS 33 4.009 0.602 -2.862
247 HA HIS 33 HA HIS 33 2.986 3.004 -4.031
248 HB2 HIS 33 2HB HIS 33 3.453 1.658 -6.038
249 HB3 HIS 33 1HB HIS 33 2.632 0.274 -5.353
250 HD1 HIS 33 1HD HIS 33 1.775 3.824 -6.507
251 HD2 HIS 33 2HD HIS 33 0.082 0.043 -6.141
252 HE1 HIS 33 1HE HIS 33 -0.551 3.996 -7.492
253 H GLY 34 H GLY 34 0.475 2.790 -3.968
254 HA2 GLY 34 2HA GLY 34 -0.642 0.866 -2.208
255 HA3 GLY 34 1HA GLY 34 -0.484 2.463 -1.488
256 H SER 35 H SER 35 -2.815 0.820 -2.682
257 HA SER 35 HA SER 35 -4.140 3.110 -3.681
258 HB2 SER 35 2HB SER 35 -4.726 2.004 -5.925
259 HB3 SER 35 1HB SER 35 -3.120 2.715 -5.763
260 HG SER 35 HG SER 35 -2.269 0.899 -5.951
261 H CYS 36 H CYS 36 -6.363 2.347 -4.637
262 HA CYS 36 HA CYS 36 -7.441 0.735 -2.503
263 HB2 CYS 36 2HB CYS 36 -8.842 2.355 -4.631
264 HB3 CYS 36 1HB CYS 36 -9.560 1.676 -3.167
265 H ASN 37 H ASN 37 -7.505 -1.340 -2.850
266 HA ASN 37 HA ASN 37 -7.949 -2.431 -5.556
267 HB2 ASN 37 2HB ASN 37 -5.975 -3.203 -4.080
268 HB3 ASN 37 1HB ASN 37 -7.192 -3.903 -3.021
269 HD21 ASN 37 1HD2 ASN 37 -5.369 -4.281 -5.870
270 HD22 ASN 37 2HD2 ASN 37 -6.000 -5.807 -6.354
271 H TYR 38 H TYR 38 -9.803 -3.743 -5.868
272 HA TYR 38 HA TYR 38 -11.766 -3.403 -3.777
273 HB2 TYR 38 2HB TYR 38 -12.285 -3.152 -6.305
274 HB3 TYR 38 1HB TYR 38 -12.299 -4.917 -6.329
275 HD1 TYR 38 2HD TYR 38 -13.834 -6.023 -4.434
276 HD2 TYR 38 1HD TYR 38 -14.267 -2.055 -5.865
277 HE1 TYR 38 2HE TYR 38 -16.104 -5.969 -3.574
278 HE2 TYR 38 1HE TYR 38 -16.545 -1.987 -5.013
279 HH TYR 38 HH TYR 38 -17.732 -4.211 -2.814
280 H VAL 39 H VAL 39 -11.770 -4.708 -2.224
281 HA VAL 39 HA VAL 39 -11.500 -7.576 -2.687
282 HB VAL 39 HB VAL 39 -10.543 -7.701 -0.328
283 HG11 VAL 39 1HG1 VAL 39 -8.912 -6.124 -2.319
284 HG12 VAL 39 2HG1 VAL 39 -9.058 -7.882 -2.252
285 HG13 VAL 39 3HG1 VAL 39 -8.265 -7.012 -0.939
286 HG21 VAL 39 3HG2 VAL 39 -11.318 -5.521 0.450
287 HG22 VAL 39 1HG2 VAL 39 -10.235 -4.723 -0.688
288 HG23 VAL 39 2HG2 VAL 39 -9.568 -5.675 0.640
289 H PHE 40 H PHE 40 -12.416 -8.431 -0.237
290 HA PHE 40 HA PHE 40 -15.116 -7.566 -0.453
291 HB2 PHE 40 2HB PHE 40 -14.603 -9.939 0.015
292 HB3 PHE 40 1HB PHE 40 -13.877 -9.478 1.550
293 HD1 PHE 40 1HD PHE 40 -17.047 -9.687 -0.323
294 HD2 PHE 40 2HD PHE 40 -15.214 -9.090 3.478
295 HE1 PHE 40 1HE PHE 40 -19.239 -9.888 0.768
296 HE2 PHE 40 2HE PHE 40 -17.402 -9.291 4.567
297 HZ PHE 40 HZ PHE 40 -19.418 -9.689 3.212
298 HA PRO 41 HA PRO 41 -16.749 -6.888 0.144
299 HB2 PRO 41 2HB PRO 41 -18.548 -5.188 1.180
300 HB3 PRO 41 1HB PRO 41 -18.155 -6.728 1.950
301 HG2 PRO 41 2HG PRO 41 -17.545 -4.010 2.849
302 HG3 PRO 41 1HG PRO 41 -17.462 -5.528 3.751
303 HD2 PRO 41 2HD PRO 41 -15.317 -4.047 2.427
304 HD3 PRO 41 1HD PRO 41 -15.198 -5.394 3.578
305 H ALA 42 H ALA 42 -14.721 -4.280 0.187
306 HA ALA 42 HA ALA 42 -15.863 -3.034 -2.119
307 HB1 ALA 42 1HB ALA 42 -16.106 -0.814 -1.149
308 HB2 ALA 42 2HB ALA 42 -15.651 -1.441 0.433
309 HB3 ALA 42 3HB ALA 42 -17.157 -1.966 -0.322
310 H HIS 43 H HIS 43 -14.463 -0.750 -2.284
311 HA HIS 43 HA HIS 43 -11.801 -1.621 -2.757
312 HB2 HIS 43 2HB HIS 43 -12.965 1.177 -2.765
313 HB3 HIS 43 1HB HIS 43 -11.337 0.777 -3.265
314 HD1 HIS 43 1HD HIS 43 -14.770 1.020 -4.503
315 HD2 HIS 43 2HD HIS 43 -11.223 -0.788 -5.680
316 HE1 HIS 43 1HE HIS 43 -15.045 0.516 -6.946
317 H LYS 44 H LYS 44 -10.223 -1.738 -1.405
318 HA LYS 44 HA LYS 44 -10.219 0.009 0.945
319 HB2 LYS 44 2HB LYS 44 -9.425 -2.899 0.768
320 HB3 LYS 44 1HB LYS 44 -9.059 -1.866 2.140
321 HG2 LYS 44 2HG LYS 44 -11.454 -1.553 2.548
322 HG3 LYS 44 1HG LYS 44 -11.822 -2.580 1.159
323 HD2 LYS 44 2HD LYS 44 -10.730 -4.462 2.229
324 HD3 LYS 44 1HD LYS 44 -10.260 -3.460 3.592
325 HE2 LYS 44 2HE LYS 44 -13.077 -4.113 2.758
326 HE3 LYS 44 1HE LYS 44 -12.200 -4.841 4.099
327 HZ1 LYS 44 3HZ LYS 44 -12.067 -2.571 5.099
328 HZ2 LYS 44 1HZ LYS 44 -13.628 -3.166 4.946
329 HZ3 LYS 44 2HZ LYS 44 -13.098 -2.009 3.874
330 H CYS 45 H CYS 45 -8.067 0.584 1.677
331 HA CYS 45 HA CYS 45 -6.326 0.904 -0.566
332 HB2 CYS 45 2HB CYS 45 -6.138 1.841 2.284
333 HB3 CYS 45 1HB CYS 45 -4.944 2.192 1.037
334 H ILE 46 H ILE 46 -4.940 -0.497 -1.092
335 HA ILE 46 HA ILE 46 -3.903 -2.302 0.947
336 HB ILE 46 HB ILE 46 -4.237 -2.707 -2.048
337 HG12 ILE 46 2HG1 ILE 46 -6.412 -2.754 -0.946
338 HG13 ILE 46 1HG1 ILE 46 -5.950 -4.371 -1.465
339 HG21 ILE 46 1HG2 ILE 46 -3.688 -5.044 -1.592
340 HG22 ILE 46 2HG2 ILE 46 -3.305 -4.602 0.074
341 HG23 ILE 46 3HG2 ILE 46 -2.342 -3.948 -1.258
342 HD11 ILE 46 3HD1 ILE 46 -7.010 -4.425 0.711
343 HD12 ILE 46 1HD1 ILE 46 -5.804 -3.307 1.349
344 HD13 ILE 46 2HD1 ILE 46 -5.323 -4.923 0.835
345 H CYS 47 H CYS 47 -1.698 -2.371 1.149
346 HA CYS 47 HA CYS 47 -0.219 -0.310 -0.239
347 HB2 CYS 47 2HB CYS 47 0.646 -2.201 1.969
348 HB3 CYS 47 1HB CYS 47 1.552 -0.809 1.387
349 H TYR 48 H TYR 48 1.469 -0.737 -1.616
350 HA TYR 48 HA TYR 48 1.659 -3.519 -2.485
351 HB2 TYR 48 2HB TYR 48 1.657 -0.992 -4.100
352 HB3 TYR 48 1HB TYR 48 2.179 -2.537 -4.757
353 HD1 TYR 48 2HD TYR 48 -0.686 -0.598 -3.495
354 HD2 TYR 48 1HD TYR 48 0.535 -4.232 -5.340
355 HE1 TYR 48 2HE TYR 48 -3.006 -1.091 -4.045
356 HE2 TYR 48 1HE TYR 48 -1.806 -4.727 -5.903
357 HH TYR 48 HH TYR 48 -4.245 -2.405 -5.701
358 H PHE 49 H PHE 49 3.523 -4.366 -2.542
359 HA PHE 49 HA PHE 49 5.920 -2.726 -2.196
360 HB2 PHE 49 2HB PHE 49 5.238 -5.520 -1.221
361 HB3 PHE 49 1HB PHE 49 6.851 -4.826 -1.127
362 HD1 PHE 49 2HD PHE 49 7.337 -3.012 0.408
363 HD2 PHE 49 1HD PHE 49 3.434 -4.786 0.325
364 HE1 PHE 49 2HE PHE 49 6.789 -1.961 2.557
365 HE2 PHE 49 1HE PHE 49 2.919 -3.716 2.447
366 HZ PHE 49 HZ PHE 49 4.570 -2.318 3.569
367 HA PRO 50 HA PRO 50 7.124 -4.636 -6.014
368 HB2 PRO 50 2HB PRO 50 9.862 -4.626 -5.810
369 HB3 PRO 50 1HB PRO 50 8.899 -3.194 -6.178
370 HG2 PRO 50 2HG PRO 50 10.298 -3.921 -3.699
371 HG3 PRO 50 1HG PRO 50 9.782 -2.329 -4.270
372 HD2 PRO 50 2HD PRO 50 8.515 -3.967 -2.303
373 HD3 PRO 50 1HD PRO 50 7.930 -2.439 -2.966
374 H CYS 51 H CYS 51 7.052 -6.787 -6.600
375 HA CYS 51 HA CYS 51 7.706 -8.750 -4.653
376 HB2 CYS 51 2HB CYS 51 6.853 -9.043 -7.539
377 HB3 CYS 51 1HB CYS 51 7.005 -10.381 -6.400
Start of MODEL 15
1 H1 GLN 1 1HT GLN 1 7.921 -5.060 -13.239
2 H2 GLN 1 2HT GLN 1 8.085 -6.718 -13.427
3 H3 GLN 1 3HT GLN 1 9.445 -5.756 -13.090
4 HA GLN 1 HA GLN 1 8.667 -6.987 -11.150
5 HB2 GLN 1 2HB GLN 1 8.576 -5.084 -9.603
6 HB3 GLN 1 1HB GLN 1 9.814 -4.826 -10.816
7 HG2 GLN 1 2HG GLN 1 8.289 -3.317 -12.026
8 HG3 GLN 1 1HG GLN 1 7.074 -3.577 -10.777
9 HE21 GLN 1 1HE2 GLN 1 10.070 -2.057 -11.575
10 HE22 GLN 1 2HE2 GLN 1 10.187 -1.079 -10.164
11 H LYS 2 H LYS 2 6.986 -7.448 -9.700
12 HA LYS 2 HA LYS 2 4.358 -6.589 -10.696
13 HB2 LYS 2 2HB LYS 2 4.735 -9.078 -10.676
14 HB3 LYS 2 1HB LYS 2 5.020 -8.974 -8.945
15 HG2 LYS 2 2HG LYS 2 2.767 -8.268 -8.540
16 HG3 LYS 2 1HG LYS 2 2.447 -8.150 -10.260
17 HD2 LYS 2 2HD LYS 2 1.408 -10.147 -9.448
18 HD3 LYS 2 1HD LYS 2 2.787 -10.627 -10.423
19 HE2 LYS 2 2HE LYS 2 2.944 -10.417 -7.420
20 HE3 LYS 2 1HE LYS 2 2.344 -11.863 -8.215
21 HZ1 LYS 2 3HZ LYS 2 4.468 -12.118 -9.300
22 HZ2 LYS 2 1HZ LYS 2 4.658 -12.045 -7.645
23 HZ3 LYS 2 2HZ LYS 2 5.088 -10.725 -8.592
24 H LEU 3 H LEU 3 3.153 -5.350 -9.399
25 HA LEU 3 HA LEU 3 4.236 -4.720 -6.792
26 HB2 LEU 3 2HB LEU 3 1.857 -3.610 -8.257
27 HB3 LEU 3 1HB LEU 3 2.444 -3.001 -6.733
28 HG LEU 3 HG LEU 3 3.924 -2.857 -9.363
29 HD11 LEU 3 1HD1 LEU 3 2.656 -0.712 -7.672
30 HD12 LEU 3 2HD1 LEU 3 2.066 -1.302 -9.225
31 HD13 LEU 3 3HD1 LEU 3 3.607 -0.449 -9.133
32 HD21 LEU 3 3HD2 LEU 3 5.497 -3.150 -7.522
33 HD22 LEU 3 1HD2 LEU 3 4.710 -1.850 -6.623
34 HD23 LEU 3 2HD2 LEU 3 5.560 -1.497 -8.125
35 H CYS 4 H CYS 4 3.825 -6.146 -5.397
36 HA CYS 4 HA CYS 4 1.472 -7.827 -5.487
37 HB2 CYS 4 2HB CYS 4 3.780 -7.793 -3.543
38 HB3 CYS 4 1HB CYS 4 2.544 -9.040 -3.649
39 H GLN 5 H GLN 5 -0.220 -7.724 -4.183
40 HA GLN 5 HA GLN 5 -0.560 -5.351 -2.606
41 HB2 GLN 5 2HB GLN 5 -2.909 -6.184 -2.346
42 HB3 GLN 5 1HB GLN 5 -2.399 -5.939 -4.006
43 HG2 GLN 5 2HG GLN 5 -2.046 -8.348 -4.244
44 HG3 GLN 5 1HG GLN 5 -2.564 -8.592 -2.578
45 HE21 GLN 5 1HE2 GLN 5 -4.700 -6.586 -2.791
46 HE22 GLN 5 2HE2 GLN 5 -5.931 -7.303 -3.753
47 H ARG 6 H ARG 6 -0.560 -5.144 -0.481
48 HA ARG 6 HA ARG 6 -0.739 -7.471 1.273
49 HB2 ARG 6 2HB ARG 6 1.689 -7.012 0.841
50 HB3 ARG 6 1HB ARG 6 1.454 -5.384 1.457
51 HG2 ARG 6 2HG ARG 6 0.802 -6.349 3.644
52 HG3 ARG 6 1HG ARG 6 1.163 -7.952 3.005
53 HD2 ARG 6 2HD ARG 6 3.492 -7.185 2.561
54 HD3 ARG 6 1HD ARG 6 3.099 -5.662 3.356
55 HE ARG 6 HE ARG 6 2.786 -8.204 4.769
56 HH11 ARG 6 1HH1 ARG 6 4.353 -5.033 4.580
57 HH12 ARG 6 2HH1 ARG 6 5.115 -5.146 6.097
58 HH21 ARG 6 1HH2 ARG 6 3.845 -8.386 6.828
59 HH22 ARG 6 2HH2 ARG 6 4.838 -7.132 7.403
60 HA PRO 7 HA PRO 7 -3.446 -4.377 3.246
61 HB2 PRO 7 2HB PRO 7 -3.328 -6.314 5.497
62 HB3 PRO 7 1HB PRO 7 -4.741 -5.660 4.662
63 HG2 PRO 7 2HG PRO 7 -3.998 -8.177 4.252
64 HG3 PRO 7 1HG PRO 7 -4.571 -7.168 2.912
65 HD2 PRO 7 2HD PRO 7 -1.760 -7.905 3.647
66 HD3 PRO 7 1HD PRO 7 -2.543 -7.860 2.050
67 H SER 8 H SER 8 -2.911 -2.662 4.543
68 HA SER 8 HA SER 8 -0.319 -2.728 5.767
69 HB2 SER 8 2HB SER 8 -0.881 -0.248 5.994
70 HB3 SER 8 1HB SER 8 -0.598 -0.908 4.381
71 HG SER 8 HG SER 8 -2.472 -0.176 3.925
72 H GLY 9 H GLY 9 0.039 -1.741 7.787
73 HA2 GLY 9 2HA GLY 9 -2.071 -2.385 9.741
74 HA3 GLY 9 1HA GLY 9 -0.365 -2.175 10.122
75 H THR 10 H THR 10 -0.615 0.197 8.189
76 HA THR 10 HA THR 10 -1.208 2.100 10.246
77 HB THR 10 HB THR 10 0.700 2.666 8.968
78 HG1 THR 10 1HG THR 10 -0.453 4.464 9.419
79 HG21 THR 10 3HG2 THR 10 -0.966 2.381 6.450
80 HG22 THR 10 1HG2 THR 10 0.366 1.344 6.968
81 HG23 THR 10 2HG2 THR 10 0.689 3.003 6.499
82 H TRP 11 H TRP 11 -2.639 1.055 7.239
83 HA TRP 11 HA TRP 11 -4.913 2.799 7.520
84 HB2 TRP 11 2HB TRP 11 -4.612 2.400 5.253
85 HB3 TRP 11 1HB TRP 11 -3.960 0.791 5.520
86 HD1 TRP 11 HD TRP 11 -7.332 2.610 5.039
87 HE1 TRP 11 1HE TRP 11 -9.138 0.819 4.576
88 HE3 TRP 11 3HE TRP 11 -4.553 -1.591 5.821
89 HZ2 TRP 11 2HZ TRP 11 -9.332 -1.965 4.543
90 HZ3 TRP 11 3HZ TRP 11 -5.623 -3.794 5.547
91 HH2 TRP 11 HH TRP 11 -7.965 -3.970 4.913
92 H SER 12 H SER 12 -6.976 2.161 8.182
93 HA SER 12 HA SER 12 -7.527 -0.553 8.865
94 HB2 SER 12 2HB SER 12 -6.268 0.355 10.876
95 HB3 SER 12 1HB SER 12 -7.534 1.561 11.055
96 HG SER 12 HG SER 12 -7.459 -1.010 11.845
97 H GLY 13 H GLY 13 -9.278 -0.366 7.415
98 HA2 GLY 13 2HA GLY 13 -11.744 0.156 8.157
99 HA3 GLY 13 1HA GLY 13 -11.192 1.796 7.865
100 H VAL 14 H VAL 14 -12.367 2.302 6.109
101 HA VAL 14 HA VAL 14 -12.297 0.491 3.804
102 HB VAL 14 HB VAL 14 -14.497 1.331 4.836
103 HG11 VAL 14 1HG1 VAL 14 -13.926 3.627 5.179
104 HG12 VAL 14 2HG1 VAL 14 -15.346 3.494 4.141
105 HG13 VAL 14 3HG1 VAL 14 -13.774 3.880 3.440
106 HG21 VAL 14 3HG2 VAL 14 -15.647 1.550 2.674
107 HG22 VAL 14 1HG2 VAL 14 -14.473 0.235 2.664
108 HG23 VAL 14 2HG2 VAL 14 -14.093 1.766 1.874
109 H CYS 15 H CYS 15 -12.272 1.745 1.641
110 HA CYS 15 HA CYS 15 -9.941 3.223 1.300
111 HB2 CYS 15 2HB CYS 15 -10.850 2.105 -0.568
112 HB3 CYS 15 1HB CYS 15 -12.399 2.916 -0.398
113 H GLY 16 H GLY 16 -9.440 5.305 1.449
114 HA2 GLY 16 2HA GLY 16 -11.607 7.244 1.800
115 HA3 GLY 16 1HA GLY 16 -9.960 7.461 2.391
116 H ASN 17 H ASN 17 -8.247 7.529 0.781
117 HA ASN 17 HA ASN 17 -9.028 8.265 -1.928
118 HB2 ASN 17 2HB ASN 17 -7.338 9.996 -0.097
119 HB3 ASN 17 1HB ASN 17 -7.360 10.179 -1.842
120 HD21 ASN 17 1HD2 ASN 17 -9.004 10.786 1.125
121 HD22 ASN 17 2HD2 ASN 17 -10.286 11.714 0.451
122 H ASN 18 H ASN 18 -7.678 7.376 -3.346
123 HA ASN 18 HA ASN 18 -5.889 5.359 -2.842
124 HB2 ASN 18 2HB ASN 18 -5.909 7.260 -5.179
125 HB3 ASN 18 1HB ASN 18 -4.901 5.828 -5.107
126 HD21 ASN 18 1HD2 ASN 18 -6.944 6.564 -6.979
127 HD22 ASN 18 2HD2 ASN 18 -8.124 5.295 -6.925
128 H ASN 19 H ASN 19 -5.022 8.661 -3.711
129 HA ASN 19 HA ASN 19 -2.267 8.192 -3.493
130 HB2 ASN 19 2HB ASN 19 -3.779 10.800 -3.612
131 HB3 ASN 19 1HB ASN 19 -2.028 10.688 -3.623
132 HD21 ASN 19 1HD2 ASN 19 -1.766 11.537 -5.621
133 HD22 ASN 19 2HD2 ASN 19 -2.224 10.736 -7.076
134 H ALA 20 H ALA 20 -4.632 9.249 -1.239
135 HA ALA 20 HA ALA 20 -2.857 10.344 0.694
136 HB1 ALA 20 1HB ALA 20 -5.286 10.866 0.668
137 HB2 ALA 20 2HB ALA 20 -4.765 10.231 2.225
138 HB3 ALA 20 3HB ALA 20 -5.631 9.194 1.098
139 H CYS 21 H CYS 21 -4.420 7.141 0.343
140 HA CYS 21 HA CYS 21 -2.870 6.262 2.529
141 HB2 CYS 21 2HB CYS 21 -3.846 3.950 1.991
142 HB3 CYS 21 1HB CYS 21 -4.920 5.198 2.585
143 H LYS 22 H LYS 22 -2.432 6.221 -0.870
144 HA LYS 22 HA LYS 22 -0.380 4.360 -1.178
145 HB2 LYS 22 2HB LYS 22 -1.386 5.685 -3.022
146 HB3 LYS 22 1HB LYS 22 -0.619 7.127 -2.379
147 HG2 LYS 22 2HG LYS 22 1.572 6.243 -2.900
148 HG3 LYS 22 1HG LYS 22 0.860 4.719 -3.429
149 HD2 LYS 22 2HD LYS 22 1.365 6.028 -5.378
150 HD3 LYS 22 1HD LYS 22 -0.378 5.965 -5.184
151 HE2 LYS 22 2HE LYS 22 0.241 8.203 -5.797
152 HE3 LYS 22 1HE LYS 22 -0.299 8.221 -4.127
153 HZ1 LYS 22 3HZ LYS 22 1.685 9.550 -4.495
154 HZ2 LYS 22 1HZ LYS 22 2.537 8.214 -5.017
155 HZ3 LYS 22 2HZ LYS 22 2.036 8.328 -3.407
156 H ASN 23 H ASN 23 -0.199 7.827 -0.418
157 HA ASN 23 HA ASN 23 2.484 8.059 0.126
158 HB2 ASN 23 2HB ASN 23 0.891 9.891 -0.240
159 HB3 ASN 23 1HB ASN 23 0.103 9.502 1.281
160 HD21 ASN 23 1HD2 ASN 23 0.492 11.364 2.255
161 HD22 ASN 23 2HD2 ASN 23 2.072 11.910 2.668
162 H GLN 24 H GLN 24 -0.299 7.408 2.201
163 HA GLN 24 HA GLN 24 0.928 7.275 4.671
164 HB2 GLN 24 2HB GLN 24 -1.490 7.308 4.379
165 HB3 GLN 24 1HB GLN 24 -1.395 5.732 3.602
166 HG2 GLN 24 2HG GLN 24 -0.730 4.688 5.633
167 HG3 GLN 24 1HG GLN 24 -0.654 6.246 6.453
168 HE21 GLN 24 1HE2 GLN 24 -2.094 5.489 7.926
169 HE22 GLN 24 2HE2 GLN 24 -3.793 5.390 7.637
170 H CYS 25 H CYS 25 0.598 4.704 2.210
171 HA CYS 25 HA CYS 25 1.599 2.640 3.848
172 HB2 CYS 25 2HB CYS 25 1.706 2.980 0.831
173 HB3 CYS 25 1HB CYS 25 2.179 1.519 1.706
174 H ILE 26 H ILE 26 3.082 4.637 1.381
175 HA ILE 26 HA ILE 26 5.719 3.785 1.521
176 HB ILE 26 HB ILE 26 4.562 6.483 0.784
177 HG12 ILE 26 2HG1 ILE 26 5.420 4.270 -1.066
178 HG13 ILE 26 1HG1 ILE 26 3.794 4.343 -0.402
179 HG21 ILE 26 1HG2 ILE 26 7.266 5.315 0.099
180 HG22 ILE 26 2HG2 ILE 26 6.972 6.648 1.213
181 HG23 ILE 26 3HG2 ILE 26 6.611 6.840 -0.502
182 HD11 ILE 26 3HD1 ILE 26 5.077 6.512 -2.046
183 HD12 ILE 26 1HD1 ILE 26 3.431 6.451 -1.408
184 HD13 ILE 26 2HD1 ILE 26 3.934 5.290 -2.641
185 H ARG 27 H ARG 27 4.053 6.289 3.346
186 HA ARG 27 HA ARG 27 6.425 7.201 4.660
187 HB2 ARG 27 2HB ARG 27 3.530 7.826 5.160
188 HB3 ARG 27 1HB ARG 27 4.862 8.562 6.034
189 HG2 ARG 27 2HG ARG 27 4.297 8.807 3.082
190 HG3 ARG 27 1HG ARG 27 4.039 10.045 4.308
191 HD2 ARG 27 2HD ARG 27 6.671 8.896 3.396
192 HD3 ARG 27 1HD ARG 27 6.063 10.533 3.152
193 HE ARG 27 HE ARG 27 6.043 10.366 5.798
194 HH11 ARG 27 1HH1 ARG 27 8.585 9.721 3.431
195 HH12 ARG 27 2HH1 ARG 27 9.855 9.861 4.546
196 HH21 ARG 27 1HH2 ARG 27 7.746 10.575 7.314
197 HH22 ARG 27 2HH2 ARG 27 9.377 10.392 6.826
198 H LEU 28 H LEU 28 4.045 4.706 5.441
199 HA LEU 28 HA LEU 28 5.098 4.866 8.158
200 HB2 LEU 28 2HB LEU 28 2.453 3.856 7.194
201 HB3 LEU 28 1HB LEU 28 3.093 3.342 8.730
202 HG LEU 28 HG LEU 28 1.541 5.059 9.102
203 HD11 LEU 28 1HD1 LEU 28 3.481 5.108 10.549
204 HD12 LEU 28 2HD1 LEU 28 2.830 6.727 10.308
205 HD13 LEU 28 3HD1 LEU 28 4.291 6.237 9.458
206 HD21 LEU 28 3HD2 LEU 28 1.507 6.149 6.935
207 HD22 LEU 28 1HD2 LEU 28 3.101 6.834 7.237
208 HD23 LEU 28 2HD2 LEU 28 1.722 7.339 8.218
209 H GLU 29 H GLU 29 4.153 2.382 5.825
210 HA GLU 29 HA GLU 29 6.068 0.784 7.283
211 HB2 GLU 29 2HB GLU 29 4.929 -1.257 6.297
212 HB3 GLU 29 1HB GLU 29 4.066 -0.365 7.532
213 HG2 GLU 29 2HG GLU 29 2.731 0.710 5.761
214 HG3 GLU 29 1HG GLU 29 3.568 -0.291 4.569
215 H LYS 30 H LYS 30 5.872 2.542 4.710
216 HA LYS 30 HA LYS 30 7.193 2.947 2.971
217 HB2 LYS 30 2HB LYS 30 9.032 0.907 4.217
218 HB3 LYS 30 1HB LYS 30 9.459 1.977 2.889
219 HG2 LYS 30 2HG LYS 30 9.130 3.913 4.333
220 HG3 LYS 30 1HG LYS 30 8.650 2.849 5.653
221 HD2 LYS 30 2HD LYS 30 10.967 3.501 5.956
222 HD3 LYS 30 1HD LYS 30 10.882 1.787 5.560
223 HE2 LYS 30 2HE LYS 30 11.438 2.320 3.215
224 HE3 LYS 30 1HE LYS 30 11.554 4.024 3.649
225 HZ1 LYS 30 3HZ LYS 30 13.226 1.846 4.746
226 HZ2 LYS 30 1HZ LYS 30 13.384 3.474 5.132
227 HZ3 LYS 30 2HZ LYS 30 13.721 2.944 3.572
228 H ALA 31 H ALA 31 5.253 1.697 2.129
229 HA ALA 31 HA ALA 31 5.998 -0.688 0.674
230 HB1 ALA 31 1HB ALA 31 3.680 -0.355 1.503
231 HB2 ALA 31 2HB ALA 31 3.763 -0.597 -0.243
232 HB3 ALA 31 3HB ALA 31 3.538 1.027 0.407
233 H ARG 32 H ARG 32 5.370 -0.508 -1.806
234 HA ARG 32 HA ARG 32 7.060 1.632 -2.782
235 HB2 ARG 32 2HB ARG 32 7.317 -0.652 -3.695
236 HB3 ARG 32 1HB ARG 32 5.670 -0.587 -4.324
237 HG2 ARG 32 2HG ARG 32 7.197 -0.157 -6.104
238 HG3 ARG 32 1HG ARG 32 6.382 1.362 -5.708
239 HD2 ARG 32 2HD ARG 32 8.369 1.915 -4.245
240 HD3 ARG 32 1HD ARG 32 9.152 0.494 -4.935
241 HE ARG 32 HE ARG 32 8.211 2.149 -6.967
242 HH11 ARG 32 1HH1 ARG 32 10.862 1.818 -4.647
243 HH12 ARG 32 2HH1 ARG 32 11.868 2.981 -5.386
244 HH21 ARG 32 1HH2 ARG 32 9.592 3.741 -7.999
245 HH22 ARG 32 2HH2 ARG 32 11.123 4.103 -7.369
246 H HIS 33 H HIS 33 3.770 0.498 -2.916
247 HA HIS 33 HA HIS 33 2.813 3.097 -3.760
248 HB2 HIS 33 2HB HIS 33 3.306 1.647 -5.817
249 HB3 HIS 33 1HB HIS 33 2.104 0.524 -5.227
250 HD1 HIS 33 1HD HIS 33 2.489 3.844 -6.894
251 HD2 HIS 33 2HD HIS 33 -0.548 1.304 -5.644
252 HE1 HIS 33 1HE HIS 33 0.379 4.673 -8.005
253 H GLY 34 H GLY 34 0.264 2.870 -3.628
254 HA2 GLY 34 2HA GLY 34 -0.821 0.744 -2.134
255 HA3 GLY 34 1HA GLY 34 -0.613 2.208 -1.154
256 H SER 35 H SER 35 -3.142 0.995 -2.142
257 HA SER 35 HA SER 35 -4.288 3.408 -3.087
258 HB2 SER 35 2HB SER 35 -3.075 2.483 -5.146
259 HB3 SER 35 1HB SER 35 -4.224 1.152 -5.102
260 HG SER 35 HG SER 35 -4.483 3.647 -6.015
261 H CYS 36 H CYS 36 -6.608 2.908 -3.785
262 HA CYS 36 HA CYS 36 -7.759 1.158 -1.852
263 HB2 CYS 36 2HB CYS 36 -8.976 2.876 -4.002
264 HB3 CYS 36 1HB CYS 36 -9.905 1.974 -2.817
265 H ASN 37 H ASN 37 -7.240 -0.821 -2.360
266 HA ASN 37 HA ASN 37 -7.551 -1.985 -4.973
267 HB2 ASN 37 2HB ASN 37 -5.751 -2.642 -3.396
268 HB3 ASN 37 1HB ASN 37 -6.975 -3.231 -2.277
269 HD21 ASN 37 1HD2 ASN 37 -5.252 -3.801 -5.181
270 HD22 ASN 37 2HD2 ASN 37 -5.773 -5.424 -5.431
271 H TYR 38 H TYR 38 -9.196 -3.505 -5.486
272 HA TYR 38 HA TYR 38 -11.531 -3.109 -3.817
273 HB2 TYR 38 2HB TYR 38 -11.711 -2.549 -6.219
274 HB3 TYR 38 1HB TYR 38 -11.389 -4.236 -6.613
275 HD1 TYR 38 1HD TYR 38 -13.766 -1.977 -4.918
276 HD2 TYR 38 2HD TYR 38 -13.144 -5.850 -6.548
277 HE1 TYR 38 1HE TYR 38 -16.149 -2.440 -4.704
278 HE2 TYR 38 2HE TYR 38 -15.524 -6.318 -6.356
279 HH TYR 38 HH TYR 38 -17.772 -3.933 -5.853
280 H VAL 39 H VAL 39 -12.078 -4.583 -2.466
281 HA VAL 39 HA VAL 39 -11.663 -7.371 -3.162
282 HB VAL 39 HB VAL 39 -11.359 -7.861 -0.744
283 HG11 VAL 39 1HG1 VAL 39 -9.362 -7.637 -2.099
284 HG12 VAL 39 2HG1 VAL 39 -9.066 -7.030 -0.470
285 HG13 VAL 39 3HG1 VAL 39 -9.331 -5.900 -1.799
286 HG21 VAL 39 3HG2 VAL 39 -11.223 -4.868 -0.388
287 HG22 VAL 39 1HG2 VAL 39 -10.867 -6.071 0.853
288 HG23 VAL 39 2HG2 VAL 39 -12.501 -5.930 0.203
289 H PHE 40 H PHE 40 -13.280 -8.666 -1.814
290 HA PHE 40 HA PHE 40 -15.802 -7.398 -2.085
291 HB2 PHE 40 2HB PHE 40 -15.586 -9.839 -2.469
292 HB3 PHE 40 1HB PHE 40 -15.130 -10.052 -0.786
293 HD1 PHE 40 1HD PHE 40 -17.907 -9.197 -3.042
294 HD2 PHE 40 2HD PHE 40 -16.774 -10.172 0.939
295 HE1 PHE 40 1HE PHE 40 -20.274 -9.494 -2.438
296 HE2 PHE 40 2HE PHE 40 -19.133 -10.472 1.542
297 HZ PHE 40 HZ PHE 40 -20.883 -10.132 -0.139
298 HA PRO 41 HA PRO 41 -17.411 -6.691 -1.535
299 HB2 PRO 41 2HB PRO 41 -19.287 -5.366 -0.182
300 HB3 PRO 41 1HB PRO 41 -19.088 -7.114 -0.025
301 HG2 PRO 41 2HG PRO 41 -18.527 -5.015 1.949
302 HG3 PRO 41 1HG PRO 41 -18.682 -6.762 2.181
303 HD2 PRO 41 2HD PRO 41 -16.252 -5.148 1.845
304 HD3 PRO 41 1HD PRO 41 -16.413 -6.823 2.416
305 H ALA 42 H ALA 42 -15.192 -4.628 -0.295
306 HA ALA 42 HA ALA 42 -16.140 -2.349 -1.787
307 HB1 ALA 42 1HB ALA 42 -17.199 -2.006 0.399
308 HB2 ALA 42 2HB ALA 42 -15.972 -0.780 0.079
309 HB3 ALA 42 3HB ALA 42 -15.621 -2.112 1.178
310 H HIS 43 H HIS 43 -14.488 -0.547 -1.620
311 HA HIS 43 HA HIS 43 -11.906 -1.627 -2.203
312 HB2 HIS 43 2HB HIS 43 -12.914 1.215 -2.051
313 HB3 HIS 43 1HB HIS 43 -11.271 0.759 -2.460
314 HD1 HIS 43 1HD HIS 43 -14.700 0.999 -3.882
315 HD2 HIS 43 2HD HIS 43 -10.933 -0.332 -4.987
316 HE1 HIS 43 1HE HIS 43 -14.765 0.755 -6.387
317 H LYS 44 H LYS 44 -10.140 -1.584 -0.986
318 HA LYS 44 HA LYS 44 -10.191 -0.145 1.568
319 HB2 LYS 44 2HB LYS 44 -9.242 -2.977 1.091
320 HB3 LYS 44 1HB LYS 44 -8.949 -2.054 2.558
321 HG2 LYS 44 2HG LYS 44 -11.381 -1.921 2.934
322 HG3 LYS 44 1HG LYS 44 -11.640 -2.896 1.487
323 HD2 LYS 44 2HD LYS 44 -10.439 -4.750 2.489
324 HD3 LYS 44 1HD LYS 44 -10.066 -3.782 3.910
325 HE2 LYS 44 2HE LYS 44 -12.504 -3.546 4.314
326 HE3 LYS 44 1HE LYS 44 -12.794 -4.657 2.978
327 HZ1 LYS 44 3HZ LYS 44 -11.218 -5.305 5.407
328 HZ2 LYS 44 1HZ LYS 44 -11.626 -6.372 4.161
329 HZ3 LYS 44 2HZ LYS 44 -12.822 -5.741 5.158
330 H CYS 45 H CYS 45 -8.029 0.474 2.292
331 HA CYS 45 HA CYS 45 -6.355 0.925 0.004
332 HB2 CYS 45 2HB CYS 45 -6.229 1.949 2.820
333 HB3 CYS 45 1HB CYS 45 -4.944 2.229 1.648
334 H ILE 46 H ILE 46 -5.300 -0.696 -0.594
335 HA ILE 46 HA ILE 46 -3.851 -2.298 1.371
336 HB ILE 46 HB ILE 46 -4.685 -2.964 -1.477
337 HG12 ILE 46 2HG1 ILE 46 -6.615 -2.945 0.019
338 HG13 ILE 46 1HG1 ILE 46 -6.237 -4.588 -0.477
339 HG21 ILE 46 1HG2 ILE 46 -3.305 -4.678 0.571
340 HG22 ILE 46 2HG2 ILE 46 -2.638 -4.115 -0.967
341 HG23 ILE 46 3HG2 ILE 46 -3.988 -5.258 -0.942
342 HD11 ILE 46 3HD1 ILE 46 -5.582 -3.335 2.189
343 HD12 ILE 46 1HD1 ILE 46 -5.174 -4.981 1.699
344 HD13 ILE 46 2HD1 ILE 46 -6.862 -4.501 1.862
345 H CYS 47 H CYS 47 -1.642 -2.481 1.120
346 HA CYS 47 HA CYS 47 -0.495 -0.417 -0.546
347 HB2 CYS 47 2HB CYS 47 0.763 -2.131 1.592
348 HB3 CYS 47 1HB CYS 47 1.508 -0.748 0.795
349 H TYR 48 H TYR 48 1.347 -0.908 -1.841
350 HA TYR 48 HA TYR 48 1.419 -3.701 -2.693
351 HB2 TYR 48 2HB TYR 48 1.705 -1.257 -4.457
352 HB3 TYR 48 1HB TYR 48 1.846 -2.940 -4.949
353 HD1 TYR 48 1HD TYR 48 -0.487 -0.290 -3.966
354 HD2 TYR 48 2HD TYR 48 -0.135 -4.320 -5.279
355 HE1 TYR 48 1HE TYR 48 -2.879 -0.322 -4.471
356 HE2 TYR 48 2HE TYR 48 -2.536 -4.364 -5.793
357 HH TYR 48 HH TYR 48 -4.435 -1.562 -5.955
358 H PHE 49 H PHE 49 3.325 -4.551 -2.703
359 HA PHE 49 HA PHE 49 5.652 -2.829 -2.315
360 HB2 PHE 49 2HB PHE 49 5.084 -5.650 -1.339
361 HB3 PHE 49 1HB PHE 49 6.670 -4.899 -1.236
362 HD1 PHE 49 2HD PHE 49 3.152 -4.597 -0.064
363 HD2 PHE 49 1HD PHE 49 7.212 -3.463 0.562
364 HE1 PHE 49 2HE PHE 49 2.545 -3.604 2.115
365 HE2 PHE 49 1HE PHE 49 6.601 -2.476 2.731
366 HZ PHE 49 HZ PHE 49 4.257 -2.550 3.506
367 HA PRO 50 HA PRO 50 6.997 -4.380 -6.181
368 HB2 PRO 50 2HB PRO 50 9.672 -4.073 -6.058
369 HB3 PRO 50 1HB PRO 50 8.571 -2.694 -6.099
370 HG2 PRO 50 2HG PRO 50 10.072 -3.847 -3.808
371 HG3 PRO 50 1HG PRO 50 9.626 -2.165 -4.129
372 HD2 PRO 50 2HD PRO 50 8.292 -3.932 -2.384
373 HD3 PRO 50 1HD PRO 50 7.664 -2.391 -2.971
374 H CYS 51 H CYS 51 7.252 -6.320 -7.050
375 HA CYS 51 HA CYS 51 8.898 -8.289 -5.672
376 HB2 CYS 51 2HB CYS 51 6.328 -8.729 -7.210
377 HB3 CYS 51 1HB CYS 51 7.308 -9.999 -6.495
Start of MODEL 16
1 H1 GLN 1 1HT GLN 1 7.009 -4.840 -13.272
2 H2 GLN 1 2HT GLN 1 7.404 -6.461 -13.114
3 H3 GLN 1 3HT GLN 1 8.617 -5.284 -12.979
4 HA GLN 1 HA GLN 1 8.000 -6.145 -10.813
5 HB2 GLN 1 2HB GLN 1 8.680 -3.779 -10.984
6 HB3 GLN 1 1HB GLN 1 7.019 -3.326 -11.324
7 HG2 GLN 1 2HG GLN 1 6.387 -4.148 -9.082
8 HG3 GLN 1 1HG GLN 1 8.089 -4.473 -8.759
9 HE21 GLN 1 1HE2 GLN 1 5.699 -2.017 -9.279
10 HE22 GLN 1 2HE2 GLN 1 6.613 -0.702 -8.660
11 H LYS 2 H LYS 2 6.463 -7.140 -9.646
12 HA LYS 2 HA LYS 2 3.682 -6.652 -10.373
13 HB2 LYS 2 2HB LYS 2 4.994 -8.910 -8.828
14 HB3 LYS 2 1HB LYS 2 3.265 -8.752 -9.102
15 HG2 LYS 2 2HG LYS 2 5.286 -8.995 -11.320
16 HG3 LYS 2 1HG LYS 2 4.465 -10.373 -10.597
17 HD2 LYS 2 2HD LYS 2 2.860 -8.089 -11.712
18 HD3 LYS 2 1HD LYS 2 3.547 -9.286 -12.801
19 HE2 LYS 2 2HE LYS 2 1.246 -9.871 -12.258
20 HE3 LYS 2 1HE LYS 2 2.339 -11.067 -11.586
21 HZ1 LYS 2 3HZ LYS 2 2.057 -10.013 -9.409
22 HZ2 LYS 2 1HZ LYS 2 0.595 -10.513 -10.043
23 HZ3 LYS 2 2HZ LYS 2 0.980 -8.889 -10.080
24 H LEU 3 H LEU 3 2.229 -6.441 -8.557
25 HA LEU 3 HA LEU 3 3.557 -5.188 -6.279
26 HB2 LEU 3 2HB LEU 3 0.929 -4.588 -7.576
27 HB3 LEU 3 1HB LEU 3 1.398 -3.913 -6.043
28 HG LEU 3 HG LEU 3 2.738 -3.410 -8.707
29 HD11 LEU 3 1HD1 LEU 3 0.599 -2.283 -8.434
30 HD12 LEU 3 2HD1 LEU 3 1.936 -1.134 -8.408
31 HD13 LEU 3 3HD1 LEU 3 1.146 -1.600 -6.902
32 HD21 LEU 3 3HD2 LEU 3 3.417 -2.323 -5.967
33 HD22 LEU 3 1HD2 LEU 3 4.113 -1.767 -7.489
34 HD23 LEU 3 2HD2 LEU 3 4.414 -3.410 -6.937
35 H CYS 4 H CYS 4 3.432 -6.318 -4.582
36 HA CYS 4 HA CYS 4 1.360 -8.313 -4.289
37 HB2 CYS 4 2HB CYS 4 3.836 -7.747 -2.644
38 HB3 CYS 4 1HB CYS 4 2.699 -9.057 -2.327
39 H GLN 5 H GLN 5 -0.392 -7.891 -3.274
40 HA GLN 5 HA GLN 5 -0.919 -5.364 -2.068
41 HB2 GLN 5 2HB GLN 5 -2.551 -7.886 -2.222
42 HB3 GLN 5 1HB GLN 5 -3.144 -6.306 -1.707
43 HG2 GLN 5 2HG GLN 5 -2.917 -5.408 -3.847
44 HG3 GLN 5 1HG GLN 5 -1.922 -6.753 -4.396
45 HE21 GLN 5 1HE2 GLN 5 -4.870 -7.233 -2.501
46 HE22 GLN 5 2HE2 GLN 5 -5.719 -7.972 -3.807
47 H ARG 6 H ARG 6 -1.087 -4.823 0.041
48 HA ARG 6 HA ARG 6 -1.224 -6.884 2.082
49 HB2 ARG 6 2HB ARG 6 1.169 -6.158 1.874
50 HB3 ARG 6 1HB ARG 6 0.654 -4.512 2.215
51 HG2 ARG 6 2HG ARG 6 -0.190 -5.247 4.410
52 HG3 ARG 6 1HG ARG 6 0.407 -6.874 4.071
53 HD2 ARG 6 2HD ARG 6 2.675 -5.926 3.806
54 HD3 ARG 6 1HD ARG 6 2.021 -4.358 4.263
55 HE ARG 6 HE ARG 6 1.803 -6.622 6.107
56 HH11 ARG 6 1HH1 ARG 6 2.727 -3.284 5.482
57 HH12 ARG 6 2HH1 ARG 6 3.674 -3.123 6.901
58 HH21 ARG 6 1HH2 ARG 6 3.067 -6.359 8.129
59 HH22 ARG 6 2HH2 ARG 6 3.829 -4.863 8.424
60 HA PRO 7 HA PRO 7 -4.387 -3.751 2.858
61 HB2 PRO 7 2HB PRO 7 -5.416 -5.750 4.744
62 HB3 PRO 7 1HB PRO 7 -6.215 -5.038 3.347
63 HG2 PRO 7 2HG PRO 7 -5.415 -7.599 3.326
64 HG3 PRO 7 1HG PRO 7 -5.314 -6.588 1.873
65 HD2 PRO 7 2HD PRO 7 -3.155 -7.318 3.819
66 HD3 PRO 7 1HD PRO 7 -3.130 -7.318 2.035
67 H SER 8 H SER 8 -3.446 -5.783 5.651
68 HA SER 8 HA SER 8 -3.666 -3.385 7.274
69 HB2 SER 8 2HB SER 8 -3.303 -6.250 8.135
70 HB3 SER 8 1HB SER 8 -3.776 -4.887 9.152
71 HG SER 8 HG SER 8 -5.704 -4.798 8.185
72 H GLY 9 H GLY 9 -1.974 -2.244 7.025
73 HA2 GLY 9 2HA GLY 9 0.413 -3.244 8.394
74 HA3 GLY 9 1HA GLY 9 0.569 -2.330 6.885
75 H THR 10 H THR 10 -0.432 -0.310 6.792
76 HA THR 10 HA THR 10 -0.654 1.061 9.388
77 HB THR 10 HB THR 10 1.103 1.999 7.979
78 HG1 THR 10 1HG THR 10 -0.425 3.408 9.212
79 HG21 THR 10 3HG2 THR 10 -1.080 2.421 5.946
80 HG22 THR 10 1HG2 THR 10 0.292 1.329 5.803
81 HG23 THR 10 2HG2 THR 10 0.558 3.085 5.819
82 H TRP 11 H TRP 11 -2.250 0.381 6.394
83 HA TRP 11 HA TRP 11 -4.375 2.145 6.420
84 HB2 TRP 11 2HB TRP 11 -4.056 0.853 4.471
85 HB3 TRP 11 1HB TRP 11 -4.147 -0.659 5.359
86 HD1 TRP 11 HD TRP 11 -6.519 2.262 4.363
87 HE1 TRP 11 1HE TRP 11 -8.875 1.267 3.974
88 HE3 TRP 11 3HE TRP 11 -5.591 -2.558 5.710
89 HZ2 TRP 11 2HZ TRP 11 -10.167 -1.267 4.257
90 HZ3 TRP 11 3HZ TRP 11 -7.418 -4.209 5.616
91 HH2 TRP 11 HH TRP 11 -9.655 -3.562 4.905
92 H SER 12 H SER 12 -6.078 2.428 7.602
93 HA SER 12 HA SER 12 -7.242 0.155 8.943
94 HB2 SER 12 2HB SER 12 -6.712 2.812 10.284
95 HB3 SER 12 1HB SER 12 -7.548 1.441 11.012
96 HG SER 12 HG SER 12 -5.276 0.604 10.009
97 H GLY 13 H GLY 13 -8.827 0.175 7.392
98 HA2 GLY 13 2HA GLY 13 -10.854 0.633 6.474
99 HA3 GLY 13 1HA GLY 13 -11.194 1.461 7.982
100 H VAL 14 H VAL 14 -8.950 2.292 5.346
101 HA VAL 14 HA VAL 14 -10.502 4.768 4.978
102 HB VAL 14 HB VAL 14 -7.503 4.408 4.689
103 HG11 VAL 14 1HG1 VAL 14 -7.400 6.821 4.272
104 HG12 VAL 14 2HG1 VAL 14 -9.159 6.904 4.306
105 HG13 VAL 14 3HG1 VAL 14 -8.347 5.999 3.029
106 HG21 VAL 14 3HG2 VAL 14 -8.250 4.508 7.008
107 HG22 VAL 14 1HG2 VAL 14 -9.102 6.016 6.674
108 HG23 VAL 14 2HG2 VAL 14 -7.343 5.955 6.562
109 H CYS 15 H CYS 15 -11.453 4.905 3.046
110 HA CYS 15 HA CYS 15 -9.804 4.445 0.712
111 HB2 CYS 15 2HB CYS 15 -11.299 2.442 0.789
112 HB3 CYS 15 1HB CYS 15 -12.689 3.522 0.801
113 H GLY 16 H GLY 16 -9.540 6.633 0.790
114 HA2 GLY 16 2HA GLY 16 -11.835 8.094 -0.260
115 HA3 GLY 16 1HA GLY 16 -11.000 8.724 1.157
116 H ASN 17 H ASN 17 -8.833 9.331 0.957
117 HA ASN 17 HA ASN 17 -8.198 10.358 -1.681
118 HB2 ASN 17 2HB ASN 17 -6.811 10.712 0.980
119 HB3 ASN 17 1HB ASN 17 -6.303 11.489 -0.513
120 HD21 ASN 17 1HD2 ASN 17 -7.140 12.606 2.026
121 HD22 ASN 17 2HD2 ASN 17 -8.465 13.649 1.691
122 H ASN 18 H ASN 18 -7.544 8.700 -2.901
123 HA ASN 18 HA ASN 18 -6.077 6.474 -2.098
124 HB2 ASN 18 2HB ASN 18 -6.266 7.700 -4.855
125 HB3 ASN 18 1HB ASN 18 -5.560 6.129 -4.517
126 HD21 ASN 18 1HD2 ASN 18 -7.001 5.037 -5.758
127 HD22 ASN 18 2HD2 ASN 18 -8.685 4.870 -5.384
128 H ASN 19 H ASN 19 -4.935 9.487 -3.484
129 HA ASN 19 HA ASN 19 -2.228 8.668 -3.725
130 HB2 ASN 19 2HB ASN 19 -1.705 11.026 -4.133
131 HB3 ASN 19 1HB ASN 19 -3.134 10.553 -5.037
132 HD21 ASN 19 1HD2 ASN 19 -2.239 13.182 -4.263
133 HD22 ASN 19 2HD2 ASN 19 -3.496 13.898 -3.334
134 H ALA 20 H ALA 20 -4.098 9.938 -1.158
135 HA ALA 20 HA ALA 20 -1.830 10.684 0.446
136 HB1 ALA 20 1HB ALA 20 -4.728 10.515 1.234
137 HB2 ALA 20 2HB ALA 20 -3.940 11.941 0.563
138 HB3 ALA 20 3HB ALA 20 -3.436 11.313 2.132
139 H CYS 21 H CYS 21 -4.201 8.019 0.361
140 HA CYS 21 HA CYS 21 -3.034 6.811 2.640
141 HB2 CYS 21 2HB CYS 21 -4.372 4.762 2.024
142 HB3 CYS 21 1HB CYS 21 -5.329 6.219 2.207
143 H LYS 22 H LYS 22 -2.438 6.602 -0.789
144 HA LYS 22 HA LYS 22 -0.617 4.508 -0.875
145 HB2 LYS 22 2HB LYS 22 -1.363 5.786 -2.866
146 HB3 LYS 22 1HB LYS 22 -0.421 7.165 -2.307
147 HG2 LYS 22 2HG LYS 22 1.626 5.843 -2.490
148 HG3 LYS 22 1HG LYS 22 0.690 4.467 -3.057
149 HD2 LYS 22 2HD LYS 22 1.749 5.610 -4.911
150 HD3 LYS 22 1HD LYS 22 -0.005 5.773 -5.020
151 HE2 LYS 22 2HE LYS 22 0.093 8.002 -4.194
152 HE3 LYS 22 1HE LYS 22 1.825 7.855 -3.840
153 HZ1 LYS 22 3HZ LYS 22 2.194 7.611 -6.227
154 HZ2 LYS 22 1HZ LYS 22 1.429 9.073 -5.869
155 HZ3 LYS 22 2HZ LYS 22 0.545 7.804 -6.514
156 H ASN 23 H ASN 23 -0.044 7.990 -0.278
157 HA ASN 23 HA ASN 23 2.650 7.918 0.233
158 HB2 ASN 23 2HB ASN 23 1.261 9.916 -0.168
159 HB3 ASN 23 1HB ASN 23 0.521 9.690 1.413
160 HD21 ASN 23 1HD2 ASN 23 1.215 11.509 2.308
161 HD22 ASN 23 2HD2 ASN 23 2.892 11.824 2.603
162 H GLN 24 H GLN 24 -0.149 7.577 2.377
163 HA GLN 24 HA GLN 24 1.161 7.430 4.819
164 HB2 GLN 24 2HB GLN 24 -1.274 7.628 4.616
165 HB3 GLN 24 1HB GLN 24 -1.354 5.999 3.957
166 HG2 GLN 24 2HG GLN 24 -0.385 5.160 6.081
167 HG3 GLN 24 1HG GLN 24 -0.513 6.791 6.728
168 HE21 GLN 24 1HE2 GLN 24 -1.714 4.362 7.586
169 HE22 GLN 24 2HE2 GLN 24 -3.430 4.575 7.553
170 H CYS 25 H CYS 25 0.512 4.889 2.414
171 HA CYS 25 HA CYS 25 1.394 2.740 4.025
172 HB2 CYS 25 2HB CYS 25 1.391 3.027 0.997
173 HB3 CYS 25 1HB CYS 25 1.680 1.523 1.888
174 H ILE 26 H ILE 26 2.941 4.651 1.534
175 HA ILE 26 HA ILE 26 5.500 3.547 1.522
176 HB ILE 26 HB ILE 26 4.626 6.389 0.964
177 HG12 ILE 26 2HG1 ILE 26 5.068 4.178 -1.033
178 HG13 ILE 26 1HG1 ILE 26 3.502 4.474 -0.289
179 HG21 ILE 26 1HG2 ILE 26 6.634 6.524 -0.475
180 HG22 ILE 26 2HG2 ILE 26 7.122 4.919 0.070
181 HG23 ILE 26 3HG2 ILE 26 7.058 6.258 1.216
182 HD11 ILE 26 3HD1 ILE 26 3.730 5.471 -2.496
183 HD12 ILE 26 1HD1 ILE 26 5.040 6.502 -1.890
184 HD13 ILE 26 2HD1 ILE 26 3.394 6.626 -1.212
185 H ARG 27 H ARG 27 4.105 6.067 3.535
186 HA ARG 27 HA ARG 27 6.635 6.706 4.752
187 HB2 ARG 27 2HB ARG 27 3.863 7.671 5.394
188 HB3 ARG 27 1HB ARG 27 5.329 8.281 6.150
189 HG2 ARG 27 2HG ARG 27 4.521 8.519 3.261
190 HG3 ARG 27 1HG ARG 27 4.590 9.811 4.458
191 HD2 ARG 27 2HD ARG 27 7.023 9.496 4.630
192 HD3 ARG 27 1HD ARG 27 6.925 8.219 3.417
193 HE ARG 27 HE ARG 27 5.944 10.869 2.771
194 HH11 ARG 27 1HH1 ARG 27 8.312 8.282 2.210
195 HH12 ARG 27 2HH1 ARG 27 9.027 9.019 0.855
196 HH21 ARG 27 1HH2 ARG 27 6.964 11.905 0.910
197 HH22 ARG 27 2HH2 ARG 27 8.256 11.136 0.119
198 H LEU 28 H LEU 28 4.065 4.449 5.532
199 HA LEU 28 HA LEU 28 5.179 4.401 8.241
200 HB2 LEU 28 2HB LEU 28 2.419 3.716 7.296
201 HB3 LEU 28 1HB LEU 28 3.029 3.082 8.796
202 HG LEU 28 HG LEU 28 1.654 4.954 9.234
203 HD11 LEU 28 1HD1 LEU 28 3.563 4.692 10.696
204 HD12 LEU 28 2HD1 LEU 28 3.132 6.391 10.526
205 HD13 LEU 28 3HD1 LEU 28 4.528 5.753 9.664
206 HD21 LEU 28 3HD2 LEU 28 3.450 6.595 7.461
207 HD22 LEU 28 1HD2 LEU 28 2.163 7.237 8.481
208 HD23 LEU 28 2HD2 LEU 28 1.771 6.158 7.141
209 H GLU 29 H GLU 29 4.020 2.219 5.729
210 HA GLU 29 HA GLU 29 5.597 0.200 7.092
211 HB2 GLU 29 2HB GLU 29 4.251 -1.478 5.882
212 HB3 GLU 29 1HB GLU 29 3.315 -0.462 6.960
213 HG2 GLU 29 2HG GLU 29 2.585 0.863 5.012
214 HG3 GLU 29 1HG GLU 29 3.458 -0.261 3.964
215 H LYS 30 H LYS 30 5.694 2.264 4.601
216 HA LYS 30 HA LYS 30 7.144 2.663 2.964
217 HB2 LYS 30 2HB LYS 30 8.685 0.380 4.179
218 HB3 LYS 30 1HB LYS 30 9.310 1.398 2.886
219 HG2 LYS 30 2HG LYS 30 9.092 3.365 4.332
220 HG3 LYS 30 1HG LYS 30 8.477 2.342 5.625
221 HD2 LYS 30 2HD LYS 30 11.206 2.127 4.359
222 HD3 LYS 30 1HD LYS 30 10.855 2.880 5.914
223 HE2 LYS 30 2HE LYS 30 9.967 0.687 6.704
224 HE3 LYS 30 1HE LYS 30 10.479 -0.019 5.175
225 HZ1 LYS 30 3HZ LYS 30 12.109 -0.365 6.917
226 HZ2 LYS 30 1HZ LYS 30 12.260 1.294 7.127
227 HZ3 LYS 30 2HZ LYS 30 12.753 0.622 5.687
228 H ALA 31 H ALA 31 4.951 1.309 2.374
229 HA ALA 31 HA ALA 31 5.465 -0.824 0.553
230 HB1 ALA 31 1HB ALA 31 3.123 1.062 0.677
231 HB2 ALA 31 2HB ALA 31 3.249 -0.445 1.594
232 HB3 ALA 31 3HB ALA 31 3.163 -0.484 -0.171
233 H ARG 32 H ARG 32 4.942 -0.488 -1.816
234 HA ARG 32 HA ARG 32 6.567 1.792 -2.627
235 HB2 ARG 32 2HB ARG 32 7.169 -0.547 -3.245
236 HB3 ARG 32 1HB ARG 32 5.740 -0.603 -4.268
237 HG2 ARG 32 2HG ARG 32 7.836 -0.195 -5.471
238 HG3 ARG 32 1HG ARG 32 6.654 1.101 -5.682
239 HD2 ARG 32 2HD ARG 32 9.031 1.866 -5.270
240 HD3 ARG 32 1HD ARG 32 7.824 2.537 -4.183
241 HE ARG 32 HE ARG 32 8.918 0.240 -2.994
242 HH11 ARG 32 1HH1 ARG 32 9.913 3.504 -3.865
243 HH12 ARG 32 2HH1 ARG 32 11.045 3.679 -2.626
244 HH21 ARG 32 1HH2 ARG 32 10.436 0.445 -1.249
245 HH22 ARG 32 2HH2 ARG 32 11.365 1.870 -1.085
246 H HIS 33 H HIS 33 3.381 0.594 -2.714
247 HA HIS 33 HA HIS 33 2.426 3.008 -3.892
248 HB2 HIS 33 2HB HIS 33 2.878 1.534 -5.909
249 HB3 HIS 33 1HB HIS 33 1.783 0.337 -5.242
250 HD1 HIS 33 1HD HIS 33 1.680 3.942 -6.540
251 HD2 HIS 33 2HD HIS 33 -0.803 0.646 -6.012
252 HE1 HIS 33 1HE HIS 33 -0.549 4.603 -7.463
253 H GLY 34 H GLY 34 -0.102 2.856 -3.782
254 HA2 GLY 34 2HA GLY 34 -1.322 0.911 -2.176
255 HA3 GLY 34 1HA GLY 34 -0.918 2.342 -1.218
256 H SER 35 H SER 35 -3.541 1.253 -2.329
257 HA SER 35 HA SER 35 -4.702 3.766 -2.928
258 HB2 SER 35 2HB SER 35 -3.370 3.251 -5.080
259 HB3 SER 35 1HB SER 35 -4.502 1.931 -5.335
260 HG SER 35 HG SER 35 -4.724 4.559 -5.733
261 H CYS 36 H CYS 36 -7.032 3.393 -3.641
262 HA CYS 36 HA CYS 36 -8.185 1.289 -2.166
263 HB2 CYS 36 2HB CYS 36 -9.386 3.157 -4.217
264 HB3 CYS 36 1HB CYS 36 -10.332 1.930 -3.384
265 H ASN 37 H ASN 37 -7.947 -0.669 -2.603
266 HA ASN 37 HA ASN 37 -7.913 -1.621 -5.380
267 HB2 ASN 37 2HB ASN 37 -5.838 -2.047 -4.109
268 HB3 ASN 37 1HB ASN 37 -6.780 -2.794 -2.831
269 HD21 ASN 37 1HD2 ASN 37 -7.515 -4.857 -3.105
270 HD22 ASN 37 2HD2 ASN 37 -6.955 -5.890 -4.381
271 H TYR 38 H TYR 38 -10.106 -1.950 -5.645
272 HA TYR 38 HA TYR 38 -11.524 -3.165 -3.470
273 HB2 TYR 38 2HB TYR 38 -12.670 -1.386 -4.706
274 HB3 TYR 38 1HB TYR 38 -12.574 -2.345 -6.182
275 HD1 TYR 38 2HD TYR 38 -14.081 -2.236 -2.795
276 HD2 TYR 38 1HD TYR 38 -14.170 -4.077 -6.632
277 HE1 TYR 38 2HE TYR 38 -16.175 -3.362 -2.207
278 HE2 TYR 38 1HE TYR 38 -16.250 -5.200 -6.060
279 HH TYR 38 HH TYR 38 -17.380 -5.927 -3.987
280 H VAL 39 H VAL 39 -11.163 -5.164 -3.177
281 HA VAL 39 HA VAL 39 -11.891 -6.963 -5.319
282 HB VAL 39 HB VAL 39 -10.342 -8.666 -4.349
283 HG11 VAL 39 1HG1 VAL 39 -9.645 -7.432 -6.317
284 HG12 VAL 39 2HG1 VAL 39 -8.255 -7.777 -5.285
285 HG13 VAL 39 3HG1 VAL 39 -8.962 -6.162 -5.302
286 HG21 VAL 39 3HG2 VAL 39 -8.502 -7.951 -2.879
287 HG22 VAL 39 1HG2 VAL 39 -10.079 -7.755 -2.110
288 HG23 VAL 39 2HG2 VAL 39 -9.234 -6.352 -2.764
289 H PHE 40 H PHE 40 -12.739 -8.964 -4.416
290 HA PHE 40 HA PHE 40 -14.758 -8.540 -2.558
291 HB2 PHE 40 2HB PHE 40 -14.751 -10.345 -4.276
292 HB3 PHE 40 1HB PHE 40 -13.473 -11.160 -3.389
293 HD1 PHE 40 1HD PHE 40 -13.964 -12.360 -1.315
294 HD2 PHE 40 2HD PHE 40 -17.020 -10.377 -3.508
295 HE1 PHE 40 1HE PHE 40 -15.674 -13.566 -0.020
296 HE2 PHE 40 2HE PHE 40 -18.729 -11.582 -2.218
297 HZ PHE 40 HZ PHE 40 -18.060 -13.173 -0.472
298 HA PRO 41 HA PRO 41 -15.951 -9.378 -0.872
299 HB2 PRO 41 2HB PRO 41 -15.897 -8.154 1.801
300 HB3 PRO 41 1HB PRO 41 -16.752 -9.600 1.256
301 HG2 PRO 41 2HG PRO 41 -14.645 -9.790 2.901
302 HG3 PRO 41 1HG PRO 41 -14.925 -10.983 1.618
303 HD2 PRO 41 2HD PRO 41 -13.069 -8.622 1.619
304 HD3 PRO 41 1HD PRO 41 -12.736 -10.306 1.151
305 H ALA 42 H ALA 42 -14.193 -6.885 0.927
306 HA ALA 42 HA ALA 42 -14.829 -4.890 -1.024
307 HB1 ALA 42 1HB ALA 42 -16.873 -4.862 0.324
308 HB2 ALA 42 2HB ALA 42 -15.944 -3.378 0.543
309 HB3 ALA 42 3HB ALA 42 -15.911 -4.631 1.784
310 H HIS 43 H HIS 43 -12.698 -4.563 -1.218
311 HA HIS 43 HA HIS 43 -11.302 -3.850 1.221
312 HB2 HIS 43 2HB HIS 43 -10.236 -4.725 -1.444
313 HB3 HIS 43 1HB HIS 43 -9.201 -3.894 -0.293
314 HD1 HIS 43 1HD HIS 43 -7.712 -5.776 0.583
315 HD2 HIS 43 2HD HIS 43 -11.733 -6.765 0.471
316 HE1 HIS 43 1HE HIS 43 -7.885 -8.016 1.699
317 H LYS 44 H LYS 44 -9.756 -2.162 1.117
318 HA LYS 44 HA LYS 44 -10.923 0.254 -0.143
319 HB2 LYS 44 2HB LYS 44 -9.740 -0.106 2.616
320 HB3 LYS 44 1HB LYS 44 -10.388 1.399 2.033
321 HG2 LYS 44 2HG LYS 44 -11.927 -1.146 2.613
322 HG3 LYS 44 1HG LYS 44 -11.977 0.355 3.536
323 HD2 LYS 44 2HD LYS 44 -13.040 1.502 1.681
324 HD3 LYS 44 1HD LYS 44 -12.863 0.079 0.660
325 HE2 LYS 44 2HE LYS 44 -15.126 0.259 1.463
326 HE3 LYS 44 1HE LYS 44 -14.354 -1.166 2.147
327 HZ1 LYS 44 3HZ LYS 44 -14.017 0.129 4.216
328 HZ2 LYS 44 1HZ LYS 44 -15.629 -0.041 3.805
329 HZ3 LYS 44 2HZ LYS 44 -14.866 1.426 3.539
330 H CYS 45 H CYS 45 -8.639 1.770 1.256
331 HA CYS 45 HA CYS 45 -6.682 1.556 -0.743
332 HB2 CYS 45 2HB CYS 45 -6.519 2.695 2.054
333 HB3 CYS 45 1HB CYS 45 -5.201 2.793 0.898
334 H ILE 46 H ILE 46 -5.503 -0.146 -1.119
335 HA ILE 46 HA ILE 46 -4.518 -1.697 1.162
336 HB ILE 46 HB ILE 46 -4.868 -2.580 -1.733
337 HG12 ILE 46 2HG1 ILE 46 -7.051 -2.339 -0.697
338 HG13 ILE 46 1HG1 ILE 46 -6.666 -4.047 -0.887
339 HG21 ILE 46 1HG2 ILE 46 -4.399 -4.836 -0.920
340 HG22 ILE 46 2HG2 ILE 46 -4.103 -4.191 0.692
341 HG23 ILE 46 3HG2 ILE 46 -3.030 -3.752 -0.643
342 HD11 ILE 46 3HD1 ILE 46 -7.748 -3.625 1.244
343 HD12 ILE 46 1HD1 ILE 46 -6.491 -2.460 1.668
344 HD13 ILE 46 2HD1 ILE 46 -6.086 -4.167 1.476
345 H CYS 47 H CYS 47 -2.315 -1.954 1.316
346 HA CYS 47 HA CYS 47 -0.789 -0.119 -0.283
347 HB2 CYS 47 2HB CYS 47 0.015 -1.855 2.069
348 HB3 CYS 47 1HB CYS 47 0.966 -0.550 1.366
349 H TYR 48 H TYR 48 1.036 -0.800 -1.478
350 HA TYR 48 HA TYR 48 0.985 -3.652 -2.207
351 HB2 TYR 48 2HB TYR 48 1.507 -1.282 -3.966
352 HB3 TYR 48 1HB TYR 48 1.656 -2.957 -4.444
353 HD1 TYR 48 2HD TYR 48 -0.434 -4.316 -4.809
354 HD2 TYR 48 1HD TYR 48 -0.588 -0.176 -3.834
355 HE1 TYR 48 2HE TYR 48 -2.711 -4.201 -5.661
356 HE2 TYR 48 1HE TYR 48 -2.876 -0.059 -4.681
357 HH TYR 48 HH TYR 48 -4.675 -2.854 -5.521
358 H PHE 49 H PHE 49 2.879 -4.611 -2.097
359 HA PHE 49 HA PHE 49 5.277 -2.975 -1.860
360 HB2 PHE 49 2HB PHE 49 4.594 -5.727 -0.831
361 HB3 PHE 49 1HB PHE 49 6.268 -5.188 -0.960
362 HD1 PHE 49 2HD PHE 49 3.011 -4.469 0.662
363 HD2 PHE 49 1HD PHE 49 7.201 -3.702 0.590
364 HE1 PHE 49 2HE PHE 49 2.839 -3.267 2.797
365 HE2 PHE 49 1HE PHE 49 7.016 -2.508 2.723
366 HZ PHE 49 HZ PHE 49 4.832 -2.296 3.824
367 HA PRO 50 HA PRO 50 6.462 -4.345 -5.777
368 HB2 PRO 50 2HB PRO 50 9.128 -3.975 -5.716
369 HB3 PRO 50 1HB PRO 50 7.989 -2.626 -5.689
370 HG2 PRO 50 2HG PRO 50 9.553 -3.828 -3.463
371 HG3 PRO 50 1HG PRO 50 9.112 -2.135 -3.737
372 HD2 PRO 50 2HD PRO 50 7.822 -3.885 -1.991
373 HD3 PRO 50 1HD PRO 50 7.137 -2.380 -2.612
374 H CYS 51 H CYS 51 6.696 -6.238 -6.690
375 HA CYS 51 HA CYS 51 8.523 -8.152 -5.526
376 HB2 CYS 51 2HB CYS 51 5.725 -8.691 -6.570
377 HB3 CYS 51 1HB CYS 51 6.881 -9.939 -6.106
Start of MODEL 17
1 H1 GLN 1 1HT GLN 1 8.822 -4.563 -11.612
2 H2 GLN 1 2HT GLN 1 8.884 -6.218 -11.642
3 H3 GLN 1 3HT GLN 1 10.275 -5.347 -11.224
4 HA GLN 1 HA GLN 1 9.243 -6.332 -9.290
5 HB2 GLN 1 2HB GLN 1 8.786 -3.333 -9.437
6 HB3 GLN 1 1HB GLN 1 8.836 -4.272 -7.956
7 HG2 GLN 1 2HG GLN 1 11.173 -4.815 -8.357
8 HG3 GLN 1 1HG GLN 1 11.129 -3.942 -9.882
9 HE21 GLN 1 1HE2 GLN 1 11.204 -3.651 -6.433
10 HE22 GLN 1 2HE2 GLN 1 11.571 -1.974 -6.375
11 H LYS 2 H LYS 2 7.455 -7.338 -8.771
12 HA LYS 2 HA LYS 2 4.933 -6.573 -9.959
13 HB2 LYS 2 2HB LYS 2 5.519 -8.943 -9.815
14 HB3 LYS 2 1HB LYS 2 5.705 -8.816 -8.076
15 HG2 LYS 2 2HG LYS 2 3.282 -8.262 -7.917
16 HG3 LYS 2 1HG LYS 2 3.150 -8.575 -9.647
17 HD2 LYS 2 2HD LYS 2 3.852 -10.866 -9.319
18 HD3 LYS 2 1HD LYS 2 4.121 -10.563 -7.602
19 HE2 LYS 2 2HE LYS 2 1.998 -11.699 -7.926
20 HE3 LYS 2 1HE LYS 2 1.739 -10.070 -7.320
21 HZ1 LYS 2 3HZ LYS 2 0.201 -10.658 -9.096
22 HZ2 LYS 2 1HZ LYS 2 1.487 -10.874 -10.170
23 HZ3 LYS 2 2HZ LYS 2 1.140 -9.341 -9.526
24 H LEU 3 H LEU 3 3.146 -5.878 -8.769
25 HA LEU 3 HA LEU 3 3.776 -4.721 -6.181
26 HB2 LEU 3 2HB LEU 3 1.359 -4.505 -7.915
27 HB3 LEU 3 1HB LEU 3 1.551 -3.649 -6.413
28 HG LEU 3 HG LEU 3 3.177 -3.231 -8.920
29 HD11 LEU 3 1HD1 LEU 3 2.160 -1.011 -8.921
30 HD12 LEU 3 2HD1 LEU 3 1.208 -1.446 -7.502
31 HD13 LEU 3 3HD1 LEU 3 0.941 -2.281 -9.032
32 HD21 LEU 3 3HD2 LEU 3 4.245 -1.383 -7.693
33 HD22 LEU 3 1HD2 LEU 3 4.600 -2.949 -6.965
34 HD23 LEU 3 2HD2 LEU 3 3.403 -1.886 -6.228
35 H CYS 4 H CYS 4 3.708 -6.238 -4.738
36 HA CYS 4 HA CYS 4 1.529 -8.166 -4.665
37 HB2 CYS 4 2HB CYS 4 3.865 -7.832 -2.767
38 HB3 CYS 4 1HB CYS 4 2.752 -9.197 -2.825
39 H GLN 5 H GLN 5 -0.274 -7.729 -3.574
40 HA GLN 5 HA GLN 5 -0.332 -5.272 -2.102
41 HB2 GLN 5 2HB GLN 5 -2.747 -5.435 -2.132
42 HB3 GLN 5 1HB GLN 5 -2.073 -5.684 -3.716
43 HG2 GLN 5 2HG GLN 5 -2.517 -8.011 -3.659
44 HG3 GLN 5 1HG GLN 5 -2.926 -7.953 -1.946
45 HE21 GLN 5 1HE2 GLN 5 -4.020 -5.454 -4.137
46 HE22 GLN 5 2HE2 GLN 5 -5.664 -5.910 -4.178
47 H ARG 6 H ARG 6 -0.753 -4.888 -0.067
48 HA ARG 6 HA ARG 6 -1.148 -7.078 1.833
49 HB2 ARG 6 2HB ARG 6 1.211 -6.499 2.015
50 HB3 ARG 6 1HB ARG 6 0.817 -4.780 2.060
51 HG2 ARG 6 2HG ARG 6 -0.458 -5.184 4.141
52 HG3 ARG 6 1HG ARG 6 0.150 -6.842 4.144
53 HD2 ARG 6 2HD ARG 6 1.814 -4.331 4.278
54 HD3 ARG 6 1HD ARG 6 1.386 -5.341 5.645
55 HE ARG 6 HE ARG 6 2.615 -6.998 3.833
56 HH11 ARG 6 1HH1 ARG 6 3.478 -4.047 5.582
57 HH12 ARG 6 2HH1 ARG 6 5.120 -4.472 5.771
58 HH21 ARG 6 1HH2 ARG 6 4.846 -7.573 4.067
59 HH22 ARG 6 2HH2 ARG 6 5.927 -6.518 4.883
60 HA PRO 7 HA PRO 7 -4.245 -3.927 2.775
61 HB2 PRO 7 2HB PRO 7 -5.363 -5.748 4.712
62 HB3 PRO 7 1HB PRO 7 -6.040 -5.241 3.166
63 HG2 PRO 7 2HG PRO 7 -5.122 -7.774 3.706
64 HG3 PRO 7 1HG PRO 7 -5.243 -7.069 2.085
65 HD2 PRO 7 2HD PRO 7 -2.857 -7.444 3.825
66 HD3 PRO 7 1HD PRO 7 -3.022 -7.542 2.057
67 H SER 8 H SER 8 -3.300 -5.950 5.599
68 HA SER 8 HA SER 8 -3.529 -3.557 7.179
69 HB2 SER 8 2HB SER 8 -3.327 -5.207 9.089
70 HB3 SER 8 1HB SER 8 -4.760 -5.337 8.070
71 HG SER 8 HG SER 8 -4.162 -7.341 8.057
72 H GLY 9 H GLY 9 -2.072 -2.459 7.951
73 HA2 GLY 9 2HA GLY 9 0.385 -3.318 8.970
74 HA3 GLY 9 1HA GLY 9 0.621 -2.620 7.359
75 H THR 10 H THR 10 -0.198 -0.571 6.961
76 HA THR 10 HA THR 10 -0.489 1.059 9.373
77 HB THR 10 HB THR 10 1.261 1.893 7.904
78 HG1 THR 10 1HG THR 10 0.448 3.583 8.820
79 HG21 THR 10 3HG2 THR 10 0.510 1.045 5.764
80 HG22 THR 10 1HG2 THR 10 0.764 2.788 5.667
81 HG23 THR 10 2HG2 THR 10 -0.881 2.131 5.781
82 H TRP 11 H TRP 11 -2.077 0.237 6.381
83 HA TRP 11 HA TRP 11 -4.349 1.886 6.716
84 HB2 TRP 11 2HB TRP 11 -3.987 1.028 4.519
85 HB3 TRP 11 1HB TRP 11 -3.910 -0.631 5.098
86 HD1 TRP 11 HD TRP 11 -6.495 2.139 4.325
87 HE1 TRP 11 1HE TRP 11 -8.837 1.022 4.087
88 HE3 TRP 11 3HE TRP 11 -5.315 -2.607 5.732
89 HZ2 TRP 11 2HZ TRP 11 -9.979 -1.501 4.439
90 HZ3 TRP 11 3HZ TRP 11 -7.082 -4.323 5.752
91 HH2 TRP 11 HH TRP 11 -9.360 -3.776 5.120
92 H SER 12 H SER 12 -6.129 1.669 7.869
93 HA SER 12 HA SER 12 -7.146 -0.903 8.524
94 HB2 SER 12 2HB SER 12 -5.627 -0.411 10.451
95 HB3 SER 12 1HB SER 12 -6.513 1.087 10.723
96 HG SER 12 HG SER 12 -7.530 -0.176 12.030
97 H GLY 13 H GLY 13 -8.787 -0.300 7.155
98 HA2 GLY 13 2HA GLY 13 -10.892 0.478 6.683
99 HA3 GLY 13 1HA GLY 13 -10.962 1.086 8.329
100 H VAL 14 H VAL 14 -8.598 2.022 5.882
101 HA VAL 14 HA VAL 14 -9.771 4.706 5.988
102 HB VAL 14 HB VAL 14 -6.813 4.063 5.752
103 HG11 VAL 14 1HG1 VAL 14 -8.228 6.717 5.989
104 HG12 VAL 14 2HG1 VAL 14 -7.403 6.098 4.558
105 HG13 VAL 14 3HG1 VAL 14 -6.480 6.480 6.013
106 HG21 VAL 14 3HG2 VAL 14 -7.643 3.624 8.004
107 HG22 VAL 14 1HG2 VAL 14 -8.362 5.234 8.064
108 HG23 VAL 14 2HG2 VAL 14 -6.609 5.055 7.986
109 H CYS 15 H CYS 15 -10.826 4.815 4.111
110 HA CYS 15 HA CYS 15 -9.196 4.776 1.723
111 HB2 CYS 15 2HB CYS 15 -10.275 2.590 1.612
112 HB3 CYS 15 1HB CYS 15 -11.843 3.307 1.944
113 H GLY 16 H GLY 16 -9.253 7.003 2.110
114 HA2 GLY 16 2HA GLY 16 -11.820 8.238 1.412
115 HA3 GLY 16 1HA GLY 16 -10.494 9.051 2.251
116 H ASN 17 H ASN 17 -8.362 8.748 0.997
117 HA ASN 17 HA ASN 17 -8.843 9.337 -1.824
118 HB2 ASN 17 2HB ASN 17 -6.919 10.656 0.090
119 HB3 ASN 17 1HB ASN 17 -6.730 10.750 -1.650
120 HD21 ASN 17 1HD2 ASN 17 -6.919 12.924 -1.651
121 HD22 ASN 17 2HD2 ASN 17 -8.399 13.756 -1.353
122 H ASN 18 H ASN 18 -7.660 8.219 -3.168
123 HA ASN 18 HA ASN 18 -6.236 5.943 -2.293
124 HB2 ASN 18 2HB ASN 18 -6.243 7.248 -5.029
125 HB3 ASN 18 1HB ASN 18 -5.544 5.678 -4.669
126 HD21 ASN 18 1HD2 ASN 18 -8.468 7.470 -5.173
127 HD22 ASN 18 2HD2 ASN 18 -9.529 6.131 -5.210
128 H ASN 19 H ASN 19 -5.188 9.041 -3.596
129 HA ASN 19 HA ASN 19 -2.440 8.468 -3.491
130 HB2 ASN 19 2HB ASN 19 -2.108 10.971 -3.606
131 HB3 ASN 19 1HB ASN 19 -3.073 10.272 -4.889
132 HD21 ASN 19 1HD2 ASN 19 -4.075 12.184 -5.384
133 HD22 ASN 19 2HD2 ASN 19 -5.221 12.961 -4.347
134 H ALA 20 H ALA 20 -4.589 9.656 -1.072
135 HA ALA 20 HA ALA 20 -2.597 10.517 0.774
136 HB1 ALA 20 1HB ALA 20 -4.413 10.652 2.382
137 HB2 ALA 20 2HB ALA 20 -5.449 9.705 1.321
138 HB3 ALA 20 3HB ALA 20 -4.934 11.319 0.834
139 H CYS 21 H CYS 21 -4.505 7.503 0.511
140 HA CYS 21 HA CYS 21 -3.074 6.432 2.724
141 HB2 CYS 21 2HB CYS 21 -4.277 4.322 2.262
142 HB3 CYS 21 1HB CYS 21 -5.362 5.700 2.362
143 H LYS 22 H LYS 22 -2.718 6.353 -0.733
144 HA LYS 22 HA LYS 22 -0.772 4.424 -1.155
145 HB2 LYS 22 2HB LYS 22 -1.887 5.899 -2.820
146 HB3 LYS 22 1HB LYS 22 -0.878 7.227 -2.287
147 HG2 LYS 22 2HG LYS 22 1.103 6.029 -3.076
148 HG3 LYS 22 1HG LYS 22 0.080 4.688 -3.597
149 HD2 LYS 22 2HD LYS 22 -0.032 7.532 -4.666
150 HD3 LYS 22 1HD LYS 22 0.621 6.128 -5.495
151 HE2 LYS 22 2HE LYS 22 -1.590 5.101 -5.538
152 HE3 LYS 22 1HE LYS 22 -2.260 6.466 -4.650
153 HZ1 LYS 22 3HZ LYS 22 -1.766 7.901 -6.463
154 HZ2 LYS 22 1HZ LYS 22 -2.663 6.615 -7.037
155 HZ3 LYS 22 2HZ LYS 22 -1.001 6.696 -7.332
156 H ASN 23 H ASN 23 -0.340 7.885 -0.426
157 HA ASN 23 HA ASN 23 2.380 7.874 0.037
158 HB2 ASN 23 2HB ASN 23 1.184 9.918 -0.383
159 HB3 ASN 23 1HB ASN 23 0.152 9.662 1.013
160 HD21 ASN 23 1HD2 ASN 23 0.859 10.257 2.991
161 HD22 ASN 23 2HD2 ASN 23 2.319 11.107 3.267
162 H GLN 24 H GLN 24 -0.357 7.354 2.198
163 HA GLN 24 HA GLN 24 1.034 7.260 4.613
164 HB2 GLN 24 2HB GLN 24 -1.441 7.355 4.430
165 HB3 GLN 24 1HB GLN 24 -1.427 5.696 3.848
166 HG2 GLN 24 2HG GLN 24 -0.469 4.958 5.956
167 HG3 GLN 24 1HG GLN 24 -0.490 6.613 6.547
168 HE21 GLN 24 1HE2 GLN 24 -1.732 4.277 7.564
169 HE22 GLN 24 2HE2 GLN 24 -3.435 4.604 7.668
170 H CYS 25 H CYS 25 0.431 4.698 2.215
171 HA CYS 25 HA CYS 25 1.480 2.612 3.816
172 HB2 CYS 25 2HB CYS 25 1.277 2.863 0.801
173 HB3 CYS 25 1HB CYS 25 1.713 1.383 1.657
174 H ILE 26 H ILE 26 2.829 4.525 1.214
175 HA ILE 26 HA ILE 26 5.411 3.478 1.107
176 HB ILE 26 HB ILE 26 4.465 6.287 0.494
177 HG12 ILE 26 2HG1 ILE 26 4.803 4.011 -1.439
178 HG13 ILE 26 1HG1 ILE 26 3.285 4.293 -0.596
179 HG21 ILE 26 1HG2 ILE 26 6.369 6.350 -1.058
180 HG22 ILE 26 2HG2 ILE 26 6.880 4.760 -0.494
181 HG23 ILE 26 3HG2 ILE 26 6.909 6.139 0.609
182 HD11 ILE 26 3HD1 ILE 26 3.105 6.446 -1.546
183 HD12 ILE 26 1HD1 ILE 26 3.293 5.240 -2.809
184 HD13 ILE 26 2HD1 ILE 26 4.668 6.286 -2.378
185 H ARG 27 H ARG 27 4.090 6.131 3.027
186 HA ARG 27 HA ARG 27 6.678 6.755 4.089
187 HB2 ARG 27 2HB ARG 27 3.965 7.875 4.717
188 HB3 ARG 27 1HB ARG 27 5.464 8.464 5.423
189 HG2 ARG 27 2HG ARG 27 4.694 8.530 2.502
190 HG3 ARG 27 1HG ARG 27 4.763 9.906 3.598
191 HD2 ARG 27 2HD ARG 27 7.086 8.211 2.666
192 HD3 ARG 27 1HD ARG 27 6.734 9.872 2.205
193 HE ARG 27 HE ARG 27 6.903 10.042 4.870
194 HH11 ARG 27 1HH1 ARG 27 9.125 8.887 2.393
195 HH12 ARG 27 2HH1 ARG 27 10.508 9.006 3.378
196 HH21 ARG 27 1HH2 ARG 27 8.738 10.233 6.192
197 HH22 ARG 27 2HH2 ARG 27 10.290 9.793 5.618
198 H LEU 28 H LEU 28 4.198 4.521 5.041
199 HA LEU 28 HA LEU 28 5.303 4.636 7.739
200 HB2 LEU 28 2HB LEU 28 2.604 3.788 6.776
201 HB3 LEU 28 1HB LEU 28 3.236 3.106 8.242
202 HG LEU 28 HG LEU 28 1.800 4.888 8.777
203 HD11 LEU 28 1HD1 LEU 28 3.252 6.274 10.160
204 HD12 LEU 28 2HD1 LEU 28 4.641 5.778 9.215
205 HD13 LEU 28 3HD1 LEU 28 3.761 4.587 10.174
206 HD21 LEU 28 3HD2 LEU 28 2.212 7.232 8.140
207 HD22 LEU 28 1HD2 LEU 28 1.858 6.205 6.751
208 HD23 LEU 28 2HD2 LEU 28 3.522 6.697 7.083
209 H GLU 29 H GLU 29 4.126 2.168 5.497
210 HA GLU 29 HA GLU 29 6.060 0.496 6.832
211 HB2 GLU 29 2HB GLU 29 4.794 -1.457 5.920
212 HB3 GLU 29 1HB GLU 29 3.993 -0.507 7.162
213 HG2 GLU 29 2HG GLU 29 2.679 0.580 5.396
214 HG3 GLU 29 1HG GLU 29 3.415 -0.489 4.202
215 H LYS 30 H LYS 30 5.800 2.258 4.260
216 HA LYS 30 HA LYS 30 7.134 2.637 2.546
217 HB2 LYS 30 2HB LYS 30 8.893 0.506 3.758
218 HB3 LYS 30 1HB LYS 30 9.375 1.572 2.439
219 HG2 LYS 30 2HG LYS 30 9.070 3.504 3.833
220 HG3 LYS 30 1HG LYS 30 8.478 2.499 5.149
221 HD2 LYS 30 2HD LYS 30 10.662 1.409 5.281
222 HD3 LYS 30 1HD LYS 30 11.246 2.437 3.965
223 HE2 LYS 30 2HE LYS 30 10.851 4.420 5.288
224 HE3 LYS 30 1HE LYS 30 10.150 3.448 6.579
225 HZ1 LYS 30 3HZ LYS 30 12.300 2.401 6.884
226 HZ2 LYS 30 1HZ LYS 30 12.392 4.062 7.097
227 HZ3 LYS 30 2HZ LYS 30 12.977 3.352 5.671
228 H ALA 31 H ALA 31 5.169 1.648 1.735
229 HA ALA 31 HA ALA 31 5.640 -0.708 0.119
230 HB1 ALA 31 1HB ALA 31 3.255 1.135 0.254
231 HB2 ALA 31 2HB ALA 31 3.443 -0.369 1.159
232 HB3 ALA 31 3HB ALA 31 3.320 -0.407 -0.601
233 H ARG 32 H ARG 32 4.788 -0.376 -2.225
234 HA ARG 32 HA ARG 32 6.414 1.731 -3.421
235 HB2 ARG 32 2HB ARG 32 6.776 -0.500 -4.241
236 HB3 ARG 32 1HB ARG 32 5.060 -0.729 -4.517
237 HG2 ARG 32 2HG ARG 32 6.167 -0.444 -6.590
238 HG3 ARG 32 1HG ARG 32 5.164 0.976 -6.296
239 HD2 ARG 32 2HD ARG 32 8.139 0.828 -5.776
240 HD3 ARG 32 1HD ARG 32 7.427 1.474 -7.252
241 HE ARG 32 HE ARG 32 6.259 3.025 -5.498
242 HH11 ARG 32 1HH1 ARG 32 9.627 1.929 -5.462
243 HH12 ARG 32 2HH1 ARG 32 10.226 3.368 -4.794
244 HH21 ARG 32 1HH2 ARG 32 7.136 5.041 -4.543
245 HH22 ARG 32 2HH2 ARG 32 8.809 5.141 -4.297
246 H HIS 33 H HIS 33 3.133 0.530 -3.231
247 HA HIS 33 HA HIS 33 2.098 3.035 -4.234
248 HB2 HIS 33 2HB HIS 33 2.436 1.574 -6.249
249 HB3 HIS 33 1HB HIS 33 1.448 0.334 -5.515
250 HD1 HIS 33 1HD HIS 33 1.199 3.746 -7.118
251 HD2 HIS 33 2HD HIS 33 -1.261 0.622 -5.894
252 HE1 HIS 33 1HE HIS 33 -1.098 4.301 -7.978
253 H GLY 34 H GLY 34 -0.392 2.907 -3.936
254 HA2 GLY 34 2HA GLY 34 -1.464 0.926 -2.235
255 HA3 GLY 34 1HA GLY 34 -1.122 2.426 -1.374
256 H SER 35 H SER 35 -3.650 1.046 -2.429
257 HA SER 35 HA SER 35 -5.054 3.412 -2.915
258 HB2 SER 35 2HB SER 35 -5.794 2.858 -5.314
259 HB3 SER 35 1HB SER 35 -4.189 3.559 -5.102
260 HG SER 35 HG SER 35 -3.384 1.881 -5.949
261 H CYS 36 H CYS 36 -7.332 3.058 -3.411
262 HA CYS 36 HA CYS 36 -8.312 0.805 -1.960
263 HB2 CYS 36 2HB CYS 36 -9.773 2.948 -3.500
264 HB3 CYS 36 1HB CYS 36 -10.520 1.774 -2.418
265 H ASN 37 H ASN 37 -8.102 -1.022 -2.813
266 HA ASN 37 HA ASN 37 -8.613 -1.473 -5.660
267 HB2 ASN 37 2HB ASN 37 -6.520 -2.360 -4.595
268 HB3 ASN 37 1HB ASN 37 -7.521 -3.323 -3.528
269 HD21 ASN 37 1HD2 ASN 37 -8.021 -2.751 -7.002
270 HD22 ASN 37 2HD2 ASN 37 -7.827 -4.388 -7.468
271 H TYR 38 H TYR 38 -10.238 -2.971 -6.259
272 HA TYR 38 HA TYR 38 -12.201 -3.428 -4.234
273 HB2 TYR 38 2HB TYR 38 -13.057 -2.932 -6.460
274 HB3 TYR 38 1HB TYR 38 -12.186 -4.302 -7.137
275 HD1 TYR 38 1HD TYR 38 -14.983 -3.378 -4.871
276 HD2 TYR 38 2HD TYR 38 -13.109 -6.493 -7.083
277 HE1 TYR 38 1HE TYR 38 -16.921 -4.838 -4.464
278 HE2 TYR 38 2HE TYR 38 -15.016 -7.934 -6.712
279 HH TYR 38 HH TYR 38 -17.985 -6.845 -5.543
280 H VAL 39 H VAL 39 -11.296 -4.642 -2.815
281 HA VAL 39 HA VAL 39 -10.629 -7.366 -3.573
282 HB VAL 39 HB VAL 39 -9.797 -7.626 -1.248
283 HG11 VAL 39 1HG1 VAL 39 -8.670 -5.226 -2.668
284 HG12 VAL 39 2HG1 VAL 39 -8.206 -6.911 -2.912
285 HG13 VAL 39 3HG1 VAL 39 -7.861 -6.107 -1.378
286 HG21 VAL 39 3HG2 VAL 39 -9.606 -5.685 0.252
287 HG22 VAL 39 1HG2 VAL 39 -11.293 -6.045 -0.117
288 HG23 VAL 39 2HG2 VAL 39 -10.485 -4.697 -0.915
289 H PHE 40 H PHE 40 -11.763 -9.017 -2.260
290 HA PHE 40 HA PHE 40 -14.494 -8.357 -2.211
291 HB2 PHE 40 2HB PHE 40 -13.580 -10.672 -2.645
292 HB3 PHE 40 1HB PHE 40 -13.228 -10.794 -0.926
293 HD1 PHE 40 2HD PHE 40 -15.896 -10.506 -3.420
294 HD2 PHE 40 1HD PHE 40 -14.962 -11.280 0.652
295 HE1 PHE 40 2HE PHE 40 -18.194 -11.282 -3.050
296 HE2 PHE 40 1HE PHE 40 -17.264 -12.055 1.032
297 HZ PHE 40 HZ PHE 40 -18.881 -12.051 -0.829
298 HA PRO 41 HA PRO 41 -16.217 -8.072 -1.542
299 HB2 PRO 41 2HB PRO 41 -18.248 -7.317 -0.027
300 HB3 PRO 41 1HB PRO 41 -17.555 -8.937 0.130
301 HG2 PRO 41 2HG PRO 41 -17.421 -6.663 2.001
302 HG3 PRO 41 1HG PRO 41 -17.144 -8.381 2.312
303 HD2 PRO 41 2HD PRO 41 -15.191 -6.272 1.768
304 HD3 PRO 41 1HD PRO 41 -14.909 -7.933 2.330
305 H ALA 42 H ALA 42 -14.466 -5.512 -0.623
306 HA ALA 42 HA ALA 42 -16.144 -3.537 -1.868
307 HB1 ALA 42 1HB ALA 42 -16.184 -2.005 0.028
308 HB2 ALA 42 2HB ALA 42 -15.428 -3.236 1.042
309 HB3 ALA 42 3HB ALA 42 -17.046 -3.500 0.391
310 H HIS 43 H HIS 43 -15.038 -1.437 -2.021
311 HA HIS 43 HA HIS 43 -12.299 -1.733 -2.745
312 HB2 HIS 43 2HB HIS 43 -14.001 0.765 -2.476
313 HB3 HIS 43 1HB HIS 43 -12.388 0.729 -3.162
314 HD1 HIS 43 1HD HIS 43 -15.946 -0.016 -3.948
315 HD2 HIS 43 2HD HIS 43 -12.214 -0.399 -5.724
316 HE1 HIS 43 1HE HIS 43 -16.385 -0.499 -6.394
317 H LYS 44 H LYS 44 -10.715 -1.804 -1.346
318 HA LYS 44 HA LYS 44 -10.779 -0.067 1.033
319 HB2 LYS 44 2HB LYS 44 -9.789 -2.924 0.868
320 HB3 LYS 44 1HB LYS 44 -9.664 -1.878 2.277
321 HG2 LYS 44 2HG LYS 44 -12.056 -1.840 2.522
322 HG3 LYS 44 1HG LYS 44 -12.258 -2.743 1.020
323 HD2 LYS 44 2HD LYS 44 -11.070 -4.640 2.024
324 HD3 LYS 44 1HD LYS 44 -10.907 -3.729 3.525
325 HE2 LYS 44 2HE LYS 44 -13.519 -4.494 2.222
326 HE3 LYS 44 1HE LYS 44 -12.784 -5.326 3.590
327 HZ1 LYS 44 3HZ LYS 44 -12.949 -3.296 4.859
328 HZ2 LYS 44 1HZ LYS 44 -14.462 -3.800 4.326
329 HZ3 LYS 44 2HZ LYS 44 -13.695 -2.490 3.582
330 H CYS 45 H CYS 45 -8.657 0.716 1.611
331 HA CYS 45 HA CYS 45 -6.940 0.811 -0.706
332 HB2 CYS 45 2HB CYS 45 -7.351 2.838 0.748
333 HB3 CYS 45 1HB CYS 45 -6.380 2.043 1.989
334 H ILE 46 H ILE 46 -5.458 -0.484 -1.137
335 HA ILE 46 HA ILE 46 -4.396 -2.116 1.047
336 HB ILE 46 HB ILE 46 -4.421 -2.885 -1.891
337 HG12 ILE 46 2HG1 ILE 46 -6.776 -2.656 -1.177
338 HG13 ILE 46 1HG1 ILE 46 -6.310 -4.331 -1.479
339 HG21 ILE 46 1HG2 ILE 46 -2.833 -4.081 -0.546
340 HG22 ILE 46 2HG2 ILE 46 -4.212 -5.168 -0.895
341 HG23 ILE 46 3HG2 ILE 46 -4.064 -4.400 0.667
342 HD11 ILE 46 3HD1 ILE 46 -6.583 -3.051 1.239
343 HD12 ILE 46 1HD1 ILE 46 -6.145 -4.729 0.910
344 HD13 ILE 46 2HD1 ILE 46 -7.751 -4.138 0.479
345 H CYS 47 H CYS 47 -2.196 -2.154 1.222
346 HA CYS 47 HA CYS 47 -0.699 -0.220 -0.295
347 HB2 CYS 47 2HB CYS 47 0.131 -2.079 1.952
348 HB3 CYS 47 1HB CYS 47 1.103 -0.768 1.297
349 H TYR 48 H TYR 48 0.856 -0.746 -1.770
350 HA TYR 48 HA TYR 48 1.019 -3.582 -2.529
351 HB2 TYR 48 2HB TYR 48 1.176 -1.076 -4.162
352 HB3 TYR 48 1HB TYR 48 1.632 -2.654 -4.791
353 HD1 TYR 48 1HD TYR 48 -1.171 -0.536 -3.650
354 HD2 TYR 48 2HD TYR 48 -0.070 -4.280 -5.364
355 HE1 TYR 48 1HE TYR 48 -3.504 -0.949 -4.257
356 HE2 TYR 48 2HE TYR 48 -2.376 -4.692 -5.971
357 HH TYR 48 HH TYR 48 -4.787 -2.276 -5.810
358 H PHE 49 H PHE 49 2.914 -4.484 -2.264
359 HA PHE 49 HA PHE 49 5.244 -2.763 -1.934
360 HB2 PHE 49 2HB PHE 49 4.613 -5.539 -0.945
361 HB3 PHE 49 1HB PHE 49 6.242 -4.876 -0.903
362 HD1 PHE 49 2HD PHE 49 2.787 -4.491 0.468
363 HD2 PHE 49 1HD PHE 49 6.887 -3.297 0.706
364 HE1 PHE 49 2HE PHE 49 2.356 -3.374 2.587
365 HE2 PHE 49 1HE PHE 49 6.423 -2.195 2.843
366 HZ PHE 49 HZ PHE 49 4.159 -2.246 3.781
367 HA PRO 50 HA PRO 50 6.774 -4.311 -5.708
368 HB2 PRO 50 2HB PRO 50 9.339 -3.504 -5.539
369 HB3 PRO 50 1HB PRO 50 8.004 -2.368 -5.747
370 HG2 PRO 50 2HG PRO 50 9.582 -3.005 -3.309
371 HG3 PRO 50 1HG PRO 50 8.863 -1.470 -3.814
372 HD2 PRO 50 2HD PRO 50 7.759 -3.237 -1.931
373 HD3 PRO 50 1HD PRO 50 6.908 -1.924 -2.756
374 H CYS 51 H CYS 51 6.952 -6.372 -6.013
375 HA CYS 51 HA CYS 51 8.963 -7.933 -4.593
376 HB2 CYS 51 2HB CYS 51 6.585 -8.816 -6.240
377 HB3 CYS 51 1HB CYS 51 7.700 -9.895 -5.411
Start of MODEL 18
1 H1 GLN 1 1HT GLN 1 9.215 -4.698 -12.978
2 H2 GLN 1 2HT GLN 1 10.499 -3.806 -12.386
3 H3 GLN 1 3HT GLN 1 8.991 -3.079 -12.617
4 HA GLN 1 HA GLN 1 9.597 -5.226 -10.681
5 HB2 GLN 1 2HB GLN 1 8.968 -2.294 -10.301
6 HB3 GLN 1 1HB GLN 1 9.012 -3.472 -9.002
7 HG2 GLN 1 2HG GLN 1 11.358 -3.827 -9.324
8 HG3 GLN 1 1HG GLN 1 11.362 -2.809 -10.765
9 HE21 GLN 1 1HE2 GLN 1 12.885 -1.453 -9.875
10 HE22 GLN 1 2HE2 GLN 1 12.532 -0.312 -8.635
11 H LYS 2 H LYS 2 7.869 -6.305 -9.938
12 HA LYS 2 HA LYS 2 5.237 -5.573 -10.932
13 HB2 LYS 2 2HB LYS 2 6.185 -7.911 -9.255
14 HB3 LYS 2 1HB LYS 2 4.543 -7.689 -9.821
15 HG2 LYS 2 2HG LYS 2 5.299 -7.951 -12.125
16 HG3 LYS 2 1HG LYS 2 6.966 -8.118 -11.557
17 HD2 LYS 2 2HD LYS 2 6.353 -10.111 -10.286
18 HD3 LYS 2 1HD LYS 2 4.677 -9.936 -10.794
19 HE2 LYS 2 2HE LYS 2 7.015 -10.420 -12.640
20 HE3 LYS 2 1HE LYS 2 5.910 -11.662 -12.067
21 HZ1 LYS 2 3HZ LYS 2 5.246 -10.977 -14.230
22 HZ2 LYS 2 1HZ LYS 2 5.194 -9.344 -13.806
23 HZ3 LYS 2 2HZ LYS 2 4.106 -10.429 -13.139
24 H LEU 3 H LEU 3 3.467 -5.781 -9.185
25 HA LEU 3 HA LEU 3 4.425 -4.605 -6.694
26 HB2 LEU 3 2HB LEU 3 1.954 -3.902 -8.255
27 HB3 LEU 3 1HB LEU 3 2.253 -3.370 -6.620
28 HG LEU 3 HG LEU 3 3.956 -2.644 -9.005
29 HD11 LEU 3 1HD1 LEU 3 1.768 -1.600 -9.126
30 HD12 LEU 3 2HD1 LEU 3 2.998 -0.401 -8.719
31 HD13 LEU 3 3HD1 LEU 3 1.929 -1.028 -7.465
32 HD21 LEU 3 3HD2 LEU 3 5.254 -2.674 -6.942
33 HD22 LEU 3 1HD2 LEU 3 4.035 -1.679 -6.142
34 HD23 LEU 3 2HD2 LEU 3 4.982 -1.015 -7.470
35 H CYS 4 H CYS 4 4.118 -5.919 -5.169
36 HA CYS 4 HA CYS 4 1.965 -7.898 -5.296
37 HB2 CYS 4 2HB CYS 4 4.344 -7.704 -3.427
38 HB3 CYS 4 1HB CYS 4 3.210 -9.049 -3.525
39 H GLN 5 H GLN 5 0.182 -7.577 -4.084
40 HA GLN 5 HA GLN 5 0.248 -5.265 -2.385
41 HB2 GLN 5 2HB GLN 5 -2.229 -5.386 -2.350
42 HB3 GLN 5 1HB GLN 5 -1.566 -5.273 -3.957
43 HG2 GLN 5 2HG GLN 5 -3.308 -6.767 -4.199
44 HG3 GLN 5 1HG GLN 5 -1.917 -7.826 -4.057
45 HE21 GLN 5 1HE2 GLN 5 -4.794 -6.662 -2.557
46 HE22 GLN 5 2HE2 GLN 5 -4.901 -7.842 -1.309
47 H ARG 6 H ARG 6 -0.293 -5.158 -0.299
48 HA ARG 6 HA ARG 6 -0.621 -7.600 1.222
49 HB2 ARG 6 2HB ARG 6 1.783 -7.385 1.027
50 HB3 ARG 6 1HB ARG 6 1.708 -5.693 1.476
51 HG2 ARG 6 2HG ARG 6 0.972 -6.325 3.717
52 HG3 ARG 6 1HG ARG 6 1.039 -8.024 3.256
53 HD2 ARG 6 2HD ARG 6 3.426 -7.864 2.882
54 HD3 ARG 6 1HD ARG 6 3.391 -6.132 3.224
55 HE ARG 6 HE ARG 6 2.287 -7.368 5.403
56 HH11 ARG 6 1HH1 ARG 6 5.473 -7.375 3.847
57 HH12 ARG 6 2HH1 ARG 6 6.309 -7.759 5.276
58 HH21 ARG 6 1HH2 ARG 6 3.424 -7.861 7.332
59 HH22 ARG 6 2HH2 ARG 6 5.121 -8.051 7.305
60 HA PRO 7 HA PRO 7 -3.101 -4.456 3.417
61 HB2 PRO 7 2HB PRO 7 -3.727 -6.703 5.214
62 HB3 PRO 7 1HB PRO 7 -4.831 -5.737 4.232
63 HG2 PRO 7 2HG PRO 7 -4.292 -8.308 3.647
64 HG3 PRO 7 1HG PRO 7 -4.597 -7.100 2.391
65 HD2 PRO 7 2HD PRO 7 -1.993 -8.224 3.342
66 HD3 PRO 7 1HD PRO 7 -2.546 -7.876 1.685
67 H SER 8 H SER 8 -2.844 -3.493 5.552
68 HA SER 8 HA SER 8 -0.823 -4.643 7.246
69 HB2 SER 8 2HB SER 8 0.375 -3.275 5.508
70 HB3 SER 8 1HB SER 8 -0.531 -1.870 6.061
71 HG SER 8 HG SER 8 1.325 -1.789 7.092
72 H GLY 9 H GLY 9 -0.721 -3.422 9.287
73 HA2 GLY 9 2HA GLY 9 -3.382 -2.733 10.152
74 HA3 GLY 9 1HA GLY 9 -1.944 -2.817 11.160
75 H THR 10 H THR 10 -0.997 -0.966 8.706
76 HA THR 10 HA THR 10 -1.186 1.453 10.140
77 HB THR 10 HB THR 10 -0.164 2.330 7.976
78 HG1 THR 10 1HG THR 10 0.643 0.360 6.731
79 HG21 THR 10 3HG2 THR 10 1.222 1.609 9.874
80 HG22 THR 10 1HG2 THR 10 1.960 1.130 8.339
81 HG23 THR 10 2HG2 THR 10 1.106 -0.063 9.310
82 H TRP 11 H TRP 11 -2.332 0.442 7.024
83 HA TRP 11 HA TRP 11 -4.408 2.248 6.594
84 HB2 TRP 11 2HB TRP 11 -4.082 1.000 4.689
85 HB3 TRP 11 1HB TRP 11 -3.763 -0.478 5.586
86 HD1 TRP 11 HD TRP 11 -6.855 1.664 4.492
87 HE1 TRP 11 1HE TRP 11 -8.891 0.034 4.355
88 HE3 TRP 11 3HE TRP 11 -4.596 -2.617 6.081
89 HZ2 TRP 11 2HZ TRP 11 -9.388 -2.717 4.813
90 HZ3 TRP 11 3HZ TRP 11 -5.895 -4.699 6.185
91 HH2 TRP 11 HH TRP 11 -8.246 -4.735 5.563
92 H SER 12 H SER 12 -6.559 2.336 7.119
93 HA SER 12 HA SER 12 -7.846 0.231 8.527
94 HB2 SER 12 2HB SER 12 -6.719 1.317 10.393
95 HB3 SER 12 1HB SER 12 -7.299 2.891 9.858
96 HG SER 12 HG SER 12 -8.652 0.810 11.130
97 H GLY 13 H GLY 13 -9.980 0.289 8.065
98 HA2 GLY 13 2HA GLY 13 -12.073 1.282 7.724
99 HA3 GLY 13 1HA GLY 13 -11.275 2.812 7.407
100 H VAL 14 H VAL 14 -12.849 2.872 5.702
101 HA VAL 14 HA VAL 14 -12.472 1.163 3.393
102 HB VAL 14 HB VAL 14 -14.221 3.634 3.761
103 HG11 VAL 14 1HG1 VAL 14 -14.326 1.507 1.619
104 HG12 VAL 14 2HG1 VAL 14 -13.794 3.173 1.399
105 HG13 VAL 14 3HG1 VAL 14 -15.476 2.832 1.810
106 HG21 VAL 14 3HG2 VAL 14 -14.838 1.842 5.300
107 HG22 VAL 14 1HG2 VAL 14 -14.964 0.724 3.945
108 HG23 VAL 14 2HG2 VAL 14 -16.078 2.088 4.069
109 H CYS 15 H CYS 15 -11.670 1.965 1.394
110 HA CYS 15 HA CYS 15 -9.730 4.106 1.763
111 HB2 CYS 15 2HB CYS 15 -9.013 1.922 0.816
112 HB3 CYS 15 1HB CYS 15 -10.098 2.193 -0.540
113 H GLY 16 H GLY 16 -10.036 6.018 0.904
114 HA2 GLY 16 2HA GLY 16 -12.094 6.305 -1.189
115 HA3 GLY 16 1HA GLY 16 -11.843 7.501 0.082
116 H ASN 17 H ASN 17 -9.114 7.563 0.171
117 HA ASN 17 HA ASN 17 -8.548 8.828 -2.401
118 HB2 ASN 17 2HB ASN 17 -7.501 9.497 0.365
119 HB3 ASN 17 1HB ASN 17 -6.875 10.219 -1.107
120 HD21 ASN 17 1HD2 ASN 17 -7.460 12.289 -0.428
121 HD22 ASN 17 2HD2 ASN 17 -9.097 12.823 -0.382
122 H ASN 18 H ASN 18 -7.464 7.486 -3.565
123 HA ASN 18 HA ASN 18 -5.897 5.289 -2.872
124 HB2 ASN 18 2HB ASN 18 -5.724 7.046 -5.335
125 HB3 ASN 18 1HB ASN 18 -4.909 5.503 -5.166
126 HD21 ASN 18 1HD2 ASN 18 -6.023 3.676 -5.556
127 HD22 ASN 18 2HD2 ASN 18 -7.673 3.612 -6.049
128 H ASN 19 H ASN 19 -4.854 8.526 -3.791
129 HA ASN 19 HA ASN 19 -2.095 8.003 -3.637
130 HB2 ASN 19 2HB ASN 19 -3.589 10.630 -3.625
131 HB3 ASN 19 1HB ASN 19 -1.845 10.484 -3.771
132 HD21 ASN 19 1HD2 ASN 19 -0.973 9.727 -5.685
133 HD22 ASN 19 2HD2 ASN 19 -1.902 9.562 -7.128
134 H ALA 20 H ALA 20 -4.410 9.093 -1.336
135 HA ALA 20 HA ALA 20 -2.599 10.154 0.573
136 HB1 ALA 20 1HB ALA 20 -4.976 10.717 0.580
137 HB2 ALA 20 2HB ALA 20 -4.463 10.054 2.133
138 HB3 ALA 20 3HB ALA 20 -5.364 9.051 1.002
139 H CYS 21 H CYS 21 -4.193 6.951 0.329
140 HA CYS 21 HA CYS 21 -2.783 6.109 2.664
141 HB2 CYS 21 2HB CYS 21 -3.823 3.911 2.299
142 HB3 CYS 21 1HB CYS 21 -5.004 5.212 2.258
143 H LYS 22 H LYS 22 -2.330 5.893 -0.777
144 HA LYS 22 HA LYS 22 -0.277 4.042 -0.981
145 HB2 LYS 22 2HB LYS 22 -1.308 5.235 -2.901
146 HB3 LYS 22 1HB LYS 22 -0.524 6.716 -2.379
147 HG2 LYS 22 2HG LYS 22 1.658 5.778 -2.869
148 HG3 LYS 22 1HG LYS 22 0.917 4.223 -3.261
149 HD2 LYS 22 2HD LYS 22 1.415 5.356 -5.310
150 HD3 LYS 22 1HD LYS 22 -0.332 5.341 -5.096
151 HE2 LYS 22 2HE LYS 22 0.205 7.498 -5.873
152 HE3 LYS 22 1HE LYS 22 -0.089 7.684 -4.155
153 HZ1 LYS 22 3HZ LYS 22 2.329 7.730 -3.777
154 HZ2 LYS 22 1HZ LYS 22 1.865 8.916 -4.868
155 HZ3 LYS 22 2HZ LYS 22 2.599 7.535 -5.433
156 H ASN 23 H ASN 23 -0.029 7.561 -0.471
157 HA ASN 23 HA ASN 23 2.680 7.734 0.019
158 HB2 ASN 23 2HB ASN 23 1.134 9.567 -0.546
159 HB3 ASN 23 1HB ASN 23 0.383 9.400 1.031
160 HD21 ASN 23 1HD2 ASN 23 0.843 11.447 1.600
161 HD22 ASN 23 2HD2 ASN 23 2.429 11.961 1.985
162 H GLN 24 H GLN 24 -0.084 7.163 2.157
163 HA GLN 24 HA GLN 24 1.236 7.330 4.609
164 HB2 GLN 24 2HB GLN 24 -1.219 7.270 4.386
165 HB3 GLN 24 1HB GLN 24 -1.116 5.585 3.891
166 HG2 GLN 24 2HG GLN 24 -0.070 5.062 6.064
167 HG3 GLN 24 1HG GLN 24 -0.356 6.726 6.562
168 HE21 GLN 24 1HE2 GLN 24 -1.299 4.273 7.644
169 HE22 GLN 24 2HE2 GLN 24 -3.040 4.359 7.650
170 H CYS 25 H CYS 25 0.708 4.496 2.465
171 HA CYS 25 HA CYS 25 1.865 2.598 4.206
172 HB2 CYS 25 2HB CYS 25 1.653 2.602 1.176
173 HB3 CYS 25 1HB CYS 25 2.148 1.200 2.125
174 H ILE 26 H ILE 26 3.107 4.532 1.602
175 HA ILE 26 HA ILE 26 5.748 3.626 1.532
176 HB ILE 26 HB ILE 26 4.546 6.311 0.806
177 HG12 ILE 26 2HG1 ILE 26 5.342 4.046 -1.004
178 HG13 ILE 26 1HG1 ILE 26 3.745 4.148 -0.279
179 HG21 ILE 26 1HG2 ILE 26 6.978 6.500 1.117
180 HG22 ILE 26 2HG2 ILE 26 6.528 6.648 -0.582
181 HG23 ILE 26 3HG2 ILE 26 7.218 5.139 0.020
182 HD11 ILE 26 3HD1 ILE 26 3.794 4.988 -2.538
183 HD12 ILE 26 1HD1 ILE 26 4.968 6.236 -2.059
184 HD13 ILE 26 2HD1 ILE 26 3.335 6.192 -1.338
185 H ARG 27 H ARG 27 4.162 5.977 3.570
186 HA ARG 27 HA ARG 27 6.653 6.758 4.749
187 HB2 ARG 27 2HB ARG 27 3.849 7.620 5.251
188 HB3 ARG 27 1HB ARG 27 5.182 8.125 6.288
189 HG2 ARG 27 2HG ARG 27 6.333 9.071 4.389
190 HG3 ARG 27 1HG ARG 27 5.038 8.512 3.328
191 HD2 ARG 27 2HD ARG 27 3.489 9.917 4.390
192 HD3 ARG 27 1HD ARG 27 4.668 10.432 5.603
193 HE ARG 27 HE ARG 27 5.745 10.933 3.107
194 HH11 ARG 27 1HH1 ARG 27 2.931 12.083 4.899
195 HH12 ARG 27 2HH1 ARG 27 3.055 13.682 4.380
196 HH21 ARG 27 1HH2 ARG 27 5.900 13.135 2.319
197 HH22 ARG 27 2HH2 ARG 27 4.792 14.302 2.854
198 H LEU 28 H LEU 28 4.487 4.216 5.372
199 HA LEU 28 HA LEU 28 5.472 4.184 8.112
200 HB2 LEU 28 2HB LEU 28 2.896 2.992 7.040
201 HB3 LEU 28 1HB LEU 28 3.485 2.752 8.666
202 HG LEU 28 HG LEU 28 2.734 5.432 7.472
203 HD11 LEU 28 1HD1 LEU 28 1.315 3.756 9.508
204 HD12 LEU 28 2HD1 LEU 28 0.795 4.093 7.852
205 HD13 LEU 28 3HD1 LEU 28 0.886 5.398 9.028
206 HD21 LEU 28 3HD2 LEU 28 3.622 4.700 10.261
207 HD22 LEU 28 1HD2 LEU 28 2.993 6.270 9.765
208 HD23 LEU 28 2HD2 LEU 28 4.510 5.690 9.100
209 H GLU 29 H GLU 29 4.523 1.815 5.651
210 HA GLU 29 HA GLU 29 6.656 0.134 6.735
211 HB2 GLU 29 2HB GLU 29 5.639 -1.654 5.149
212 HB3 GLU 29 1HB GLU 29 4.825 -1.283 6.650
213 HG2 GLU 29 2HG GLU 29 4.019 -0.036 4.029
214 HG3 GLU 29 1HG GLU 29 3.372 -1.580 4.606
215 H LYS 30 H LYS 30 6.275 2.331 4.492
216 HA LYS 30 HA LYS 30 7.572 3.128 2.848
217 HB2 LYS 30 2HB LYS 30 9.557 1.033 3.772
218 HB3 LYS 30 1HB LYS 30 9.918 2.285 2.594
219 HG2 LYS 30 2HG LYS 30 9.415 3.991 4.324
220 HG3 LYS 30 1HG LYS 30 9.186 2.691 5.488
221 HD2 LYS 30 2HD LYS 30 11.488 1.947 5.144
222 HD3 LYS 30 1HD LYS 30 11.732 3.217 3.949
223 HE2 LYS 30 2HE LYS 30 11.124 3.641 6.887
224 HE3 LYS 30 1HE LYS 30 12.694 3.809 6.122
225 HZ1 LYS 30 3HZ LYS 30 11.893 5.669 4.856
226 HZ2 LYS 30 1HZ LYS 30 11.568 5.936 6.472
227 HZ3 LYS 30 2HZ LYS 30 10.329 5.486 5.438
228 H ALA 31 H ALA 31 5.607 1.579 2.157
229 HA ALA 31 HA ALA 31 6.309 -0.476 0.317
230 HB1 ALA 31 1HB ALA 31 4.101 -0.377 1.385
231 HB2 ALA 31 2HB ALA 31 3.961 -0.356 -0.374
232 HB3 ALA 31 3HB ALA 31 3.765 1.136 0.544
233 H ARG 32 H ARG 32 5.255 -0.085 -2.048
234 HA ARG 32 HA ARG 32 6.694 2.277 -3.005
235 HB2 ARG 32 2HB ARG 32 7.447 0.059 -3.836
236 HB3 ARG 32 1HB ARG 32 5.866 -0.179 -4.571
237 HG2 ARG 32 2HG ARG 32 7.479 0.510 -6.215
238 HG3 ARG 32 1HG ARG 32 6.271 1.783 -5.995
239 HD2 ARG 32 2HD ARG 32 8.503 2.755 -6.119
240 HD3 ARG 32 1HD ARG 32 7.838 2.993 -4.511
241 HE ARG 32 HE ARG 32 9.830 0.943 -5.223
242 HH11 ARG 32 1HH1 ARG 32 8.530 3.231 -2.817
243 HH12 ARG 32 2HH1 ARG 32 9.718 2.905 -1.668
244 HH21 ARG 32 1HH2 ARG 32 11.490 0.527 -3.596
245 HH22 ARG 32 2HH2 ARG 32 11.407 1.351 -2.104
246 H HIS 33 H HIS 33 3.647 0.641 -2.924
247 HA HIS 33 HA HIS 33 2.358 2.940 -4.065
248 HB2 HIS 33 2HB HIS 33 2.901 1.563 -6.008
249 HB3 HIS 33 1HB HIS 33 2.210 0.141 -5.298
250 HD1 HIS 33 1HD HIS 33 1.192 3.496 -6.750
251 HD2 HIS 33 2HD HIS 33 -0.415 -0.239 -5.899
252 HE1 HIS 33 1HE HIS 33 -1.107 3.479 -7.774
253 H GLY 34 H GLY 34 -0.141 2.488 -3.859
254 HA2 GLY 34 2HA GLY 34 -1.085 0.557 -2.022
255 HA3 GLY 34 1HA GLY 34 -0.869 2.122 -1.245
256 H SER 35 H SER 35 -3.308 0.521 -2.289
257 HA SER 35 HA SER 35 -4.671 2.851 -3.255
258 HB2 SER 35 2HB SER 35 -4.146 0.612 -5.189
259 HB3 SER 35 1HB SER 35 -5.474 1.756 -5.392
260 HG SER 35 HG SER 35 -3.007 2.813 -4.825
261 H CYS 36 H CYS 36 -6.897 2.565 -3.720
262 HA CYS 36 HA CYS 36 -8.272 0.977 -1.869
263 HB2 CYS 36 2HB CYS 36 -9.326 2.408 -4.311
264 HB3 CYS 36 1HB CYS 36 -10.234 1.987 -2.871
265 H ASN 37 H ASN 37 -8.097 -1.180 -2.199
266 HA ASN 37 HA ASN 37 -8.507 -2.333 -4.855
267 HB2 ASN 37 2HB ASN 37 -6.555 -3.112 -3.554
268 HB3 ASN 37 1HB ASN 37 -7.619 -3.558 -2.228
269 HD21 ASN 37 1HD2 ASN 37 -8.757 -5.491 -2.343
270 HD22 ASN 37 2HD2 ASN 37 -8.523 -6.623 -3.627
271 H TYR 38 H TYR 38 -10.271 -3.736 -5.229
272 HA TYR 38 HA TYR 38 -12.401 -3.284 -3.373
273 HB2 TYR 38 2HB TYR 38 -13.097 -2.963 -5.628
274 HB3 TYR 38 1HB TYR 38 -12.407 -4.499 -6.140
275 HD1 TYR 38 1HD TYR 38 -15.031 -3.125 -3.837
276 HD2 TYR 38 2HD TYR 38 -13.756 -6.372 -6.268
277 HE1 TYR 38 1HE TYR 38 -17.138 -4.294 -3.381
278 HE2 TYR 38 2HE TYR 38 -15.842 -7.537 -5.835
279 HH TYR 38 HH TYR 38 -17.538 -7.585 -4.097
280 H VAL 39 H VAL 39 -12.357 -4.449 -1.691
281 HA VAL 39 HA VAL 39 -12.237 -7.343 -2.022
282 HB VAL 39 HB VAL 39 -11.942 -7.484 0.438
283 HG11 VAL 39 1HG1 VAL 39 -9.949 -5.632 -0.845
284 HG12 VAL 39 2HG1 VAL 39 -9.931 -7.395 -0.903
285 HG13 VAL 39 3HG1 VAL 39 -9.679 -6.557 0.630
286 HG21 VAL 39 3HG2 VAL 39 -11.508 -5.461 1.785
287 HG22 VAL 39 1HG2 VAL 39 -13.139 -5.469 1.110
288 HG23 VAL 39 2HG2 VAL 39 -11.889 -4.465 0.380
289 H PHE 40 H PHE 40 -13.994 -8.450 -0.784
290 HA PHE 40 HA PHE 40 -16.372 -7.143 -1.446
291 HB2 PHE 40 2HB PHE 40 -16.174 -9.595 -1.585
292 HB3 PHE 40 1HB PHE 40 -15.988 -9.635 0.165
293 HD1 PHE 40 2HD PHE 40 -18.408 -8.620 -2.462
294 HD2 PHE 40 1HD PHE 40 -17.817 -9.956 1.535
295 HE1 PHE 40 2HE PHE 40 -20.839 -8.827 -2.166
296 HE2 PHE 40 1HE PHE 40 -20.239 -10.168 1.832
297 HZ PHE 40 HZ PHE 40 -21.753 -9.602 -0.015
298 HA PRO 41 HA PRO 41 -17.860 -6.165 -1.256
299 HB2 PRO 41 2HB PRO 41 -19.978 -4.854 -0.360
300 HB3 PRO 41 1HB PRO 41 -19.800 -6.591 -0.085
301 HG2 PRO 41 2HG PRO 41 -19.630 -4.381 1.856
302 HG3 PRO 41 1HG PRO 41 -19.881 -6.109 2.148
303 HD2 PRO 41 2HD PRO 41 -17.390 -4.556 2.220
304 HD3 PRO 41 1HD PRO 41 -17.702 -6.197 2.830
305 H ALA 42 H ALA 42 -15.781 -4.249 0.143
306 HA ALA 42 HA ALA 42 -16.585 -1.786 -1.165
307 HB1 ALA 42 1HB ALA 42 -16.158 -0.425 0.824
308 HB2 ALA 42 2HB ALA 42 -15.900 -1.894 1.769
309 HB3 ALA 42 3HB ALA 42 -17.488 -1.554 1.088
310 H HIS 43 H HIS 43 -14.816 -0.247 -1.278
311 HA HIS 43 HA HIS 43 -12.361 -1.577 -1.863
312 HB2 HIS 43 2HB HIS 43 -13.183 1.318 -2.046
313 HB3 HIS 43 1HB HIS 43 -11.575 0.724 -2.444
314 HD1 HIS 43 1HD HIS 43 -15.091 0.796 -3.749
315 HD2 HIS 43 2HD HIS 43 -11.358 -0.695 -4.797
316 HE1 HIS 43 1HE HIS 43 -15.273 0.097 -6.166
317 H LYS 44 H LYS 44 -10.755 -1.881 -0.583
318 HA LYS 44 HA LYS 44 -10.340 -0.081 1.694
319 HB2 LYS 44 2HB LYS 44 -10.209 -3.076 1.563
320 HB3 LYS 44 1HB LYS 44 -9.120 -2.232 2.647
321 HG2 LYS 44 2HG LYS 44 -11.072 -2.972 3.863
322 HG3 LYS 44 1HG LYS 44 -11.068 -1.213 3.780
323 HD2 LYS 44 2HD LYS 44 -12.716 -1.415 1.912
324 HD3 LYS 44 1HD LYS 44 -12.754 -3.154 2.205
325 HE2 LYS 44 2HE LYS 44 -13.494 -0.993 4.183
326 HE3 LYS 44 1HE LYS 44 -14.617 -2.048 3.336
327 HZ1 LYS 44 3HZ LYS 44 -14.240 -2.817 5.573
328 HZ2 LYS 44 1HZ LYS 44 -12.584 -2.906 5.335
329 HZ3 LYS 44 2HZ LYS 44 -13.619 -3.942 4.508
330 H CYS 45 H CYS 45 -7.963 0.164 2.282
331 HA CYS 45 HA CYS 45 -6.619 0.277 -0.283
332 HB2 CYS 45 2HB CYS 45 -6.760 2.361 1.111
333 HB3 CYS 45 1HB CYS 45 -5.720 1.568 2.293
334 H ILE 46 H ILE 46 -5.048 -0.956 -0.773
335 HA ILE 46 HA ILE 46 -3.855 -2.569 1.358
336 HB ILE 46 HB ILE 46 -4.204 -3.353 -1.568
337 HG12 ILE 46 2HG1 ILE 46 -6.407 -3.233 -0.463
338 HG13 ILE 46 1HG1 ILE 46 -5.972 -4.893 -0.850
339 HG21 ILE 46 1HG2 ILE 46 -3.394 -4.947 0.848
340 HG22 ILE 46 2HG2 ILE 46 -2.324 -4.421 -0.448
341 HG23 ILE 46 3HG2 ILE 46 -3.609 -5.593 -0.778
342 HD11 ILE 46 3HD1 ILE 46 -5.833 -3.588 1.869
343 HD12 ILE 46 1HD1 ILE 46 -5.358 -5.248 1.508
344 HD13 ILE 46 2HD1 ILE 46 -7.039 -4.754 1.323
345 H CYS 47 H CYS 47 -1.559 -2.663 1.323
346 HA CYS 47 HA CYS 47 -0.373 -0.502 -0.195
347 HB2 CYS 47 2HB CYS 47 0.847 -2.298 1.924
348 HB3 CYS 47 1HB CYS 47 1.551 -0.821 1.279
349 H TYR 48 H TYR 48 1.242 -0.837 -1.697
350 HA TYR 48 HA TYR 48 1.570 -3.623 -2.578
351 HB2 TYR 48 2HB TYR 48 1.452 -1.065 -4.118
352 HB3 TYR 48 1HB TYR 48 2.021 -2.565 -4.847
353 HD1 TYR 48 1HD TYR 48 -0.903 -1.009 -3.150
354 HD2 TYR 48 2HD TYR 48 0.402 -3.945 -5.928
355 HE1 TYR 48 1HE TYR 48 -3.218 -1.405 -3.799
356 HE2 TYR 48 2HE TYR 48 -1.914 -4.362 -6.582
357 HH TYR 48 HH TYR 48 -4.192 -4.057 -5.643
358 H PHE 49 H PHE 49 3.525 -4.362 -2.643
359 HA PHE 49 HA PHE 49 5.780 -2.529 -2.279
360 HB2 PHE 49 2HB PHE 49 5.422 -5.447 -1.533
361 HB3 PHE 49 1HB PHE 49 6.947 -4.583 -1.393
362 HD1 PHE 49 1HD PHE 49 3.554 -4.942 -0.037
363 HD2 PHE 49 2HD PHE 49 7.313 -2.994 0.352
364 HE1 PHE 49 1HE PHE 49 2.923 -4.160 2.216
365 HE2 PHE 49 2HE PHE 49 6.690 -2.221 2.587
366 HZ PHE 49 HZ PHE 49 4.493 -2.807 3.524
367 HA PRO 50 HA PRO 50 7.088 -3.856 -6.243
368 HB2 PRO 50 2HB PRO 50 9.763 -3.409 -6.110
369 HB3 PRO 50 1HB PRO 50 8.578 -2.108 -6.238
370 HG2 PRO 50 2HG PRO 50 10.149 -3.006 -3.895
371 HG3 PRO 50 1HG PRO 50 9.510 -1.403 -4.274
372 HD2 PRO 50 2HD PRO 50 8.401 -3.259 -2.471
373 HD3 PRO 50 1HD PRO 50 7.615 -1.800 -3.086
374 H CYS 51 H CYS 51 7.725 -5.650 -7.242
375 HA CYS 51 HA CYS 51 9.338 -7.575 -5.780
376 HB2 CYS 51 2HB CYS 51 6.783 -8.146 -7.309
377 HB3 CYS 51 1HB CYS 51 7.882 -9.393 -6.725
Start of MODEL 19
1 H1 GLN 1 1HT GLN 1 6.675 -3.993 -13.807
2 H2 GLN 1 2HT GLN 1 7.167 -5.593 -13.876
3 H3 GLN 1 3HT GLN 1 8.272 -4.367 -14.213
4 HA GLN 1 HA GLN 1 8.586 -5.317 -12.019
5 HB2 GLN 1 2HB GLN 1 9.134 -2.935 -12.354
6 HB3 GLN 1 1HB GLN 1 7.471 -2.494 -11.996
7 HG2 GLN 1 2HG GLN 1 8.977 -2.080 -10.103
8 HG3 GLN 1 1HG GLN 1 7.719 -3.253 -9.713
9 HE21 GLN 1 1HE2 GLN 1 8.833 -4.213 -8.118
10 HE22 GLN 1 2HE2 GLN 1 10.216 -5.218 -8.357
11 H LYS 2 H LYS 2 7.543 -6.600 -10.668
12 HA LYS 2 HA LYS 2 4.673 -6.269 -10.347
13 HB2 LYS 2 2HB LYS 2 6.530 -8.492 -9.533
14 HB3 LYS 2 1HB LYS 2 4.800 -8.485 -9.241
15 HG2 LYS 2 2HG LYS 2 4.400 -8.446 -11.657
16 HG3 LYS 2 1HG LYS 2 6.145 -8.474 -11.935
17 HD2 LYS 2 2HD LYS 2 6.280 -10.586 -10.704
18 HD3 LYS 2 1HD LYS 2 4.530 -10.580 -10.509
19 HE2 LYS 2 2HE LYS 2 4.245 -10.695 -12.922
20 HE3 LYS 2 1HE LYS 2 5.993 -10.623 -13.144
21 HZ1 LYS 2 3HZ LYS 2 6.188 -12.723 -11.954
22 HZ2 LYS 2 1HZ LYS 2 5.202 -12.895 -13.297
23 HZ3 LYS 2 2HZ LYS 2 4.534 -12.807 -11.747
24 H LEU 3 H LEU 3 3.715 -6.336 -8.259
25 HA LEU 3 HA LEU 3 5.491 -5.437 -6.126
26 HB2 LEU 3 2HB LEU 3 2.719 -4.378 -6.713
27 HB3 LEU 3 1HB LEU 3 3.775 -3.905 -5.397
28 HG LEU 3 HG LEU 3 4.321 -3.393 -8.323
29 HD11 LEU 3 1HD1 LEU 3 3.860 -1.059 -7.825
30 HD12 LEU 3 2HD1 LEU 3 3.447 -1.480 -6.167
31 HD13 LEU 3 3HD1 LEU 3 2.447 -2.064 -7.500
32 HD21 LEU 3 3HD2 LEU 3 5.788 -2.487 -5.844
33 HD22 LEU 3 1HD2 LEU 3 6.106 -1.917 -7.486
34 HD23 LEU 3 2HD2 LEU 3 6.371 -3.608 -7.082
35 H CYS 4 H CYS 4 5.085 -6.279 -4.192
36 HA CYS 4 HA CYS 4 3.193 -8.464 -4.020
37 HB2 CYS 4 2HB CYS 4 5.361 -7.500 -2.152
38 HB3 CYS 4 1HB CYS 4 4.330 -8.891 -1.830
39 H GLN 5 H GLN 5 1.323 -8.252 -3.098
40 HA GLN 5 HA GLN 5 0.577 -5.678 -2.046
41 HB2 GLN 5 2HB GLN 5 -1.107 -8.151 -2.429
42 HB3 GLN 5 1HB GLN 5 -1.641 -6.496 -2.148
43 HG2 GLN 5 2HG GLN 5 -0.733 -5.811 -4.268
44 HG3 GLN 5 1HG GLN 5 -0.211 -7.467 -4.584
45 HE21 GLN 5 1HE2 GLN 5 -2.931 -5.375 -4.173
46 HE22 GLN 5 2HE2 GLN 5 -4.093 -6.364 -4.963
47 H ARG 6 H ARG 6 0.298 -5.248 0.024
48 HA ARG 6 HA ARG 6 0.007 -7.434 1.925
49 HB2 ARG 6 2HB ARG 6 2.422 -6.689 1.893
50 HB3 ARG 6 1HB ARG 6 1.878 -5.091 2.403
51 HG2 ARG 6 2HG ARG 6 1.052 -5.925 4.442
52 HG3 ARG 6 1HG ARG 6 1.301 -7.601 3.934
53 HD2 ARG 6 2HD ARG 6 3.058 -7.130 5.417
54 HD3 ARG 6 1HD ARG 6 3.761 -7.007 3.807
55 HE ARG 6 HE ARG 6 2.909 -4.460 4.690
56 HH11 ARG 6 1HH1 ARG 6 5.488 -6.812 5.145
57 HH12 ARG 6 2HH1 ARG 6 6.563 -5.716 5.874
58 HH21 ARG 6 1HH2 ARG 6 4.280 -3.032 5.615
59 HH22 ARG 6 2HH2 ARG 6 5.866 -3.433 6.179
60 HA PRO 7 HA PRO 7 -3.367 -4.543 2.573
61 HB2 PRO 7 2HB PRO 7 -4.313 -6.573 4.462
62 HB3 PRO 7 1HB PRO 7 -5.107 -5.932 3.028
63 HG2 PRO 7 2HG PRO 7 -4.118 -8.421 3.084
64 HG3 PRO 7 1HG PRO 7 -4.047 -7.436 1.615
65 HD2 PRO 7 2HD PRO 7 -1.895 -8.015 3.611
66 HD3 PRO 7 1HD PRO 7 -1.828 -7.960 1.831
67 H SER 8 H SER 8 -2.817 -6.360 5.586
68 HA SER 8 HA SER 8 -3.346 -3.907 7.005
69 HB2 SER 8 2HB SER 8 -3.373 -5.628 8.947
70 HB3 SER 8 1HB SER 8 -4.697 -5.610 7.777
71 HG SER 8 HG SER 8 -2.608 -7.457 8.091
72 H GLY 9 H GLY 9 -2.250 -2.818 8.195
73 HA2 GLY 9 2HA GLY 9 -0.023 -3.400 9.667
74 HA3 GLY 9 1HA GLY 9 0.544 -2.848 8.081
75 H THR 10 H THR 10 0.033 -0.862 7.364
76 HA THR 10 HA THR 10 -0.524 1.065 9.459
77 HB THR 10 HB THR 10 1.281 1.690 7.921
78 HG1 THR 10 1HG THR 10 0.266 3.430 8.695
79 HG21 THR 10 3HG2 THR 10 0.825 2.302 5.588
80 HG22 THR 10 1HG2 THR 10 -0.826 1.708 5.748
81 HG23 THR 10 2HG2 THR 10 0.530 0.582 5.866
82 H TRP 11 H TRP 11 -1.949 -0.092 6.517
83 HA TRP 11 HA TRP 11 -4.159 1.598 6.512
84 HB2 TRP 11 2HB TRP 11 -3.868 0.518 4.465
85 HB3 TRP 11 1HB TRP 11 -3.613 -1.055 5.215
86 HD1 TRP 11 HD TRP 11 -6.561 1.434 4.626
87 HE1 TRP 11 1HE TRP 11 -8.733 0.009 4.486
88 HE3 TRP 11 3HE TRP 11 -4.595 -3.158 5.495
89 HZ2 TRP 11 2HZ TRP 11 -9.459 -2.683 4.686
90 HZ3 TRP 11 3HZ TRP 11 -6.069 -5.122 5.496
91 HH2 TRP 11 HH TRP 11 -8.441 -4.894 5.105
92 H SER 12 H SER 12 -5.890 1.683 7.601
93 HA SER 12 HA SER 12 -7.156 -0.559 8.812
94 HB2 SER 12 2HB SER 12 -6.121 1.747 10.497
95 HB3 SER 12 1HB SER 12 -7.254 0.517 11.064
96 HG SER 12 HG SER 12 -5.115 -0.582 9.882
97 H GLY 13 H GLY 13 -8.993 -0.194 7.712
98 HA2 GLY 13 2HA GLY 13 -11.000 1.299 8.258
99 HA3 GLY 13 1HA GLY 13 -9.967 2.532 7.541
100 H VAL 14 H VAL 14 -11.326 2.899 5.804
101 HA VAL 14 HA VAL 14 -11.303 0.761 3.830
102 HB VAL 14 HB VAL 14 -13.358 1.703 2.888
103 HG11 VAL 14 1HG1 VAL 14 -14.924 0.924 4.615
104 HG12 VAL 14 2HG1 VAL 14 -13.611 0.940 5.792
105 HG13 VAL 14 3HG1 VAL 14 -13.552 -0.167 4.420
106 HG21 VAL 14 3HG2 VAL 14 -14.719 3.309 4.150
107 HG22 VAL 14 1HG2 VAL 14 -13.170 4.004 3.674
108 HG23 VAL 14 2HG2 VAL 14 -13.427 3.470 5.336
109 H CYS 15 H CYS 15 -11.567 1.708 1.607
110 HA CYS 15 HA CYS 15 -9.504 3.561 1.070
111 HB2 CYS 15 2HB CYS 15 -10.004 1.845 -0.520
112 HB3 CYS 15 1HB CYS 15 -11.689 2.337 -0.584
113 H GLY 16 H GLY 16 -9.737 5.647 1.622
114 HA2 GLY 16 2HA GLY 16 -12.303 6.950 1.188
115 HA3 GLY 16 1HA GLY 16 -10.893 7.630 2.013
116 H ASN 17 H ASN 17 -8.901 7.401 0.444
117 HA ASN 17 HA ASN 17 -9.526 8.278 -2.255
118 HB2 ASN 17 2HB ASN 17 -7.812 9.822 -0.271
119 HB3 ASN 17 1HB ASN 17 -7.682 10.051 -2.005
120 HD21 ASN 17 1HD2 ASN 17 -8.398 11.953 0.100
121 HD22 ASN 17 2HD2 ASN 17 -9.960 12.549 -0.309
122 H ASN 18 H ASN 18 -8.165 7.298 -3.647
123 HA ASN 18 HA ASN 18 -6.555 5.164 -2.813
124 HB2 ASN 18 2HB ASN 18 -6.432 6.617 -5.474
125 HB3 ASN 18 1HB ASN 18 -5.677 5.076 -5.138
126 HD21 ASN 18 1HD2 ASN 18 -6.774 3.978 -6.683
127 HD22 ASN 18 2HD2 ASN 18 -8.465 3.633 -6.614
128 H ASN 19 H ASN 19 -5.656 8.389 -3.874
129 HA ASN 19 HA ASN 19 -2.874 7.948 -3.746
130 HB2 ASN 19 2HB ASN 19 -2.600 10.379 -3.950
131 HB3 ASN 19 1HB ASN 19 -3.772 9.777 -5.104
132 HD21 ASN 19 1HD2 ASN 19 -3.363 12.444 -4.049
133 HD22 ASN 19 2HD2 ASN 19 -4.866 12.941 -3.369
134 H ALA 20 H ALA 20 -5.192 8.891 -1.395
135 HA ALA 20 HA ALA 20 -3.390 9.906 0.561
136 HB1 ALA 20 1HB ALA 20 -5.254 9.716 2.115
137 HB2 ALA 20 2HB ALA 20 -6.140 8.730 0.952
138 HB3 ALA 20 3HB ALA 20 -5.793 10.421 0.590
139 H CYS 21 H CYS 21 -4.944 6.691 0.162
140 HA CYS 21 HA CYS 21 -3.374 5.749 2.329
141 HB2 CYS 21 2HB CYS 21 -4.248 3.446 1.691
142 HB3 CYS 21 1HB CYS 21 -5.436 4.634 2.188
143 H LYS 22 H LYS 22 -2.914 5.866 -1.077
144 HA LYS 22 HA LYS 22 -0.702 4.220 -1.452
145 HB2 LYS 22 2HB LYS 22 -1.729 5.546 -3.260
146 HB3 LYS 22 1HB LYS 22 -1.194 7.024 -2.480
147 HG2 LYS 22 2HG LYS 22 1.151 6.344 -2.867
148 HG3 LYS 22 1HG LYS 22 0.573 4.913 -3.721
149 HD2 LYS 22 2HD LYS 22 1.167 6.613 -5.333
150 HD3 LYS 22 1HD LYS 22 -0.582 6.408 -5.337
151 HE2 LYS 22 2HE LYS 22 -0.067 8.761 -5.450
152 HE3 LYS 22 1HE LYS 22 -0.772 8.427 -3.879
153 HZ1 LYS 22 3HZ LYS 22 1.552 8.473 -2.941
154 HZ2 LYS 22 1HZ LYS 22 1.092 9.900 -3.689
155 HZ3 LYS 22 2HZ LYS 22 2.114 8.865 -4.476
156 H ASN 23 H ASN 23 -0.788 7.624 -0.548
157 HA ASN 23 HA ASN 23 1.896 7.954 0.043
158 HB2 ASN 23 2HB ASN 23 0.412 9.791 -0.492
159 HB3 ASN 23 1HB ASN 23 -0.580 9.439 0.912
160 HD21 ASN 23 1HD2 ASN 23 0.022 10.188 2.876
161 HD22 ASN 23 2HD2 ASN 23 1.353 11.238 3.101
162 H GLN 24 H GLN 24 -0.844 6.951 1.986
163 HA GLN 24 HA GLN 24 0.381 7.177 4.510
164 HB2 GLN 24 2HB GLN 24 -2.110 6.758 3.871
165 HB3 GLN 24 1HB GLN 24 -1.646 5.064 3.882
166 HG2 GLN 24 2HG GLN 24 -0.808 5.408 6.218
167 HG3 GLN 24 1HG GLN 24 -1.562 7.003 6.174
168 HE21 GLN 24 1HE2 GLN 24 -1.996 3.684 6.472
169 HE22 GLN 24 2HE2 GLN 24 -3.710 3.667 6.726
170 H CYS 25 H CYS 25 0.298 4.551 2.101
171 HA CYS 25 HA CYS 25 1.550 2.663 3.804
172 HB2 CYS 25 2HB CYS 25 1.322 2.835 0.791
173 HB3 CYS 25 1HB CYS 25 2.080 1.473 1.629
174 H ILE 26 H ILE 26 2.697 4.723 1.222
175 HA ILE 26 HA ILE 26 5.405 4.071 1.226
176 HB ILE 26 HB ILE 26 4.028 6.662 0.498
177 HG12 ILE 26 2HG1 ILE 26 4.911 4.440 -1.324
178 HG13 ILE 26 1HG1 ILE 26 3.310 4.479 -0.592
179 HG21 ILE 26 1HG2 ILE 26 6.764 5.647 -0.306
180 HG22 ILE 26 2HG2 ILE 26 6.442 7.018 0.756
181 HG23 ILE 26 3HG2 ILE 26 5.978 7.092 -0.943
182 HD11 ILE 26 3HD1 ILE 26 2.835 6.532 -1.632
183 HD12 ILE 26 1HD1 ILE 26 3.311 5.354 -2.851
184 HD13 ILE 26 2HD1 ILE 26 4.454 6.624 -2.353
185 H ARG 27 H ARG 27 3.642 6.439 3.164
186 HA ARG 27 HA ARG 27 6.086 7.425 4.329
187 HB2 ARG 27 2HB ARG 27 3.212 8.137 4.799
188 HB3 ARG 27 1HB ARG 27 4.539 8.850 5.709
189 HG2 ARG 27 2HG ARG 27 4.113 9.036 2.731
190 HG3 ARG 27 1HG ARG 27 3.816 10.316 3.909
191 HD2 ARG 27 2HD ARG 27 6.486 9.067 3.231
192 HD3 ARG 27 1HD ARG 27 5.932 10.682 2.817
193 HE ARG 27 HE ARG 27 5.721 10.789 5.437
194 HH11 ARG 27 1HH1 ARG 27 8.409 9.454 3.545
195 HH12 ARG 27 2HH1 ARG 27 9.604 9.948 4.646
196 HH21 ARG 27 1HH2 ARG 27 7.393 11.439 6.966
197 HH22 ARG 27 2HH2 ARG 27 9.019 11.092 6.607
198 H LEU 28 H LEU 28 3.820 4.912 5.169
199 HA LEU 28 HA LEU 28 4.808 5.178 7.894
200 HB2 LEU 28 2HB LEU 28 2.251 3.982 6.893
201 HB3 LEU 28 1HB LEU 28 2.897 3.513 8.435
202 HG LEU 28 HG LEU 28 1.227 5.144 8.765
203 HD11 LEU 28 1HD1 LEU 28 3.097 5.268 10.284
204 HD12 LEU 28 2HD1 LEU 28 2.402 6.863 10.022
205 HD13 LEU 28 3HD1 LEU 28 3.911 6.429 9.231
206 HD21 LEU 28 3HD2 LEU 28 2.746 6.970 6.908
207 HD22 LEU 28 1HD2 LEU 28 1.395 7.478 7.931
208 HD23 LEU 28 2HD2 LEU 28 1.138 6.277 6.673
209 H GLU 29 H GLU 29 4.103 2.582 5.583
210 HA GLU 29 HA GLU 29 6.162 1.171 7.060
211 HB2 GLU 29 2HB GLU 29 5.222 -0.957 6.091
212 HB3 GLU 29 1HB GLU 29 4.261 -0.141 7.309
213 HG2 GLU 29 2HG GLU 29 2.858 0.772 5.477
214 HG3 GLU 29 1HG GLU 29 3.770 -0.223 4.338
215 H LYS 30 H LYS 30 5.800 2.889 4.483
216 HA LYS 30 HA LYS 30 7.100 3.401 2.781
217 HB2 LYS 30 2HB LYS 30 9.105 1.687 4.239
218 HB3 LYS 30 1HB LYS 30 9.508 2.613 2.799
219 HG2 LYS 30 2HG LYS 30 8.925 4.689 3.930
220 HG3 LYS 30 1HG LYS 30 8.407 3.782 5.342
221 HD2 LYS 30 2HD LYS 30 11.226 3.617 4.289
222 HD3 LYS 30 1HD LYS 30 10.729 4.848 5.445
223 HE2 LYS 30 2HE LYS 30 10.401 1.880 5.905
224 HE3 LYS 30 1HE LYS 30 11.786 2.809 6.466
225 HZ1 LYS 30 3HZ LYS 30 10.086 2.528 8.199
226 HZ2 LYS 30 1HZ LYS 30 8.959 3.350 7.270
227 HZ3 LYS 30 2HZ LYS 30 10.311 4.138 7.837
228 H ALA 31 H ALA 31 5.372 2.069 1.876
229 HA ALA 31 HA ALA 31 6.308 -0.260 0.424
230 HB1 ALA 31 1HB ALA 31 3.655 1.171 0.351
231 HB2 ALA 31 2HB ALA 31 4.030 -0.236 1.348
232 HB3 ALA 31 3HB ALA 31 4.012 -0.378 -0.411
233 H ARG 32 H ARG 32 5.663 -0.205 -1.979
234 HA ARG 32 HA ARG 32 7.041 2.040 -3.166
235 HB2 ARG 32 2HB ARG 32 7.457 -0.258 -3.958
236 HB3 ARG 32 1HB ARG 32 5.765 -0.420 -4.400
237 HG2 ARG 32 2HG ARG 32 7.117 -0.054 -6.350
238 HG3 ARG 32 1HG ARG 32 6.069 1.345 -6.081
239 HD2 ARG 32 2HD ARG 32 7.939 2.541 -5.045
240 HD3 ARG 32 1HD ARG 32 8.970 1.133 -5.296
241 HE ARG 32 HE ARG 32 7.870 1.990 -7.738
242 HH11 ARG 32 1HH1 ARG 32 10.297 2.907 -5.347
243 HH12 ARG 32 2HH1 ARG 32 11.267 3.778 -6.451
244 HH21 ARG 32 1HH2 ARG 32 9.230 3.147 -9.266
245 HH22 ARG 32 2HH2 ARG 32 10.674 3.884 -8.744
246 H HIS 33 H HIS 33 3.820 0.776 -2.817
247 HA HIS 33 HA HIS 33 2.636 3.207 -3.747
248 HB2 HIS 33 2HB HIS 33 3.103 1.964 -5.865
249 HB3 HIS 33 1HB HIS 33 2.203 0.592 -5.255
250 HD1 HIS 33 1HD HIS 33 1.625 4.205 -6.337
251 HD2 HIS 33 2HD HIS 33 -0.427 0.618 -5.865
252 HE1 HIS 33 1HE HIS 33 -0.657 4.579 -7.302
253 H GLY 34 H GLY 34 0.149 2.874 -3.553
254 HA2 GLY 34 2HA GLY 34 -0.742 0.705 -1.918
255 HA3 GLY 34 1HA GLY 34 -0.782 2.283 -1.133
256 H SER 35 H SER 35 -2.934 0.452 -2.327
257 HA SER 35 HA SER 35 -4.418 2.592 -3.515
258 HB2 SER 35 2HB SER 35 -3.089 1.952 -5.464
259 HB3 SER 35 1HB SER 35 -3.557 0.271 -5.277
260 HG SER 35 HG SER 35 -4.860 2.342 -6.449
261 H CYS 36 H CYS 36 -6.571 1.913 -4.106
262 HA CYS 36 HA CYS 36 -7.691 0.139 -2.159
263 HB2 CYS 36 2HB CYS 36 -9.058 1.606 -4.419
264 HB3 CYS 36 1HB CYS 36 -9.780 1.041 -2.908
265 H ASN 37 H ASN 37 -7.518 -1.894 -2.552
266 HA ASN 37 HA ASN 37 -7.456 -2.917 -5.311
267 HB2 ASN 37 2HB ASN 37 -5.507 -3.530 -4.048
268 HB3 ASN 37 1HB ASN 37 -6.508 -4.097 -2.718
269 HD21 ASN 37 1HD2 ASN 37 -7.328 -6.174 -2.770
270 HD22 ASN 37 2HD2 ASN 37 -6.953 -7.296 -4.019
271 H TYR 38 H TYR 38 -9.053 -3.358 -2.241
272 HA TYR 38 HA TYR 38 -10.613 -5.535 -3.304
273 HB2 TYR 38 2HB TYR 38 -9.851 -5.214 -0.824
274 HB3 TYR 38 1HB TYR 38 -11.228 -4.127 -0.711
275 HD1 TYR 38 1HD TYR 38 -10.253 -7.611 -1.462
276 HD2 TYR 38 2HD TYR 38 -13.426 -4.976 -0.436
277 HE1 TYR 38 1HE TYR 38 -11.710 -9.525 -1.073
278 HE2 TYR 38 2HE TYR 38 -14.891 -6.877 -0.055
279 HH TYR 38 HH TYR 38 -13.780 -10.031 0.243
280 H VAL 39 H VAL 39 -13.105 -5.300 -2.921
281 HA VAL 39 HA VAL 39 -14.023 -2.800 -4.134
282 HB VAL 39 HB VAL 39 -15.516 -4.226 -5.599
283 HG11 VAL 39 1HG1 VAL 39 -13.797 -4.840 -7.225
284 HG12 VAL 39 2HG1 VAL 39 -12.559 -4.657 -5.983
285 HG13 VAL 39 3HG1 VAL 39 -13.483 -3.255 -6.520
286 HG21 VAL 39 3HG2 VAL 39 -15.453 -6.287 -4.273
287 HG22 VAL 39 1HG2 VAL 39 -13.736 -6.475 -4.639
288 HG23 VAL 39 2HG2 VAL 39 -14.930 -6.587 -5.932
289 H PHE 40 H PHE 40 -16.690 -3.728 -4.345
290 HA PHE 40 HA PHE 40 -17.817 -3.121 -1.910
291 HB2 PHE 40 2HB PHE 40 -19.062 -3.197 -4.064
292 HB3 PHE 40 1HB PHE 40 -18.989 -4.954 -4.037
293 HD1 PHE 40 2HD PHE 40 -20.411 -1.979 -2.400
294 HD2 PHE 40 1HD PHE 40 -20.524 -6.218 -2.726
295 HE1 PHE 40 2HE PHE 40 -22.484 -2.021 -1.088
296 HE2 PHE 40 1HE PHE 40 -22.598 -6.269 -1.412
297 HZ PHE 40 HZ PHE 40 -23.579 -4.172 -0.587
298 HA PRO 41 HA PRO 41 -19.470 -3.578 -0.497
299 HB2 PRO 41 2HB PRO 41 -19.674 -3.840 2.142
300 HB3 PRO 41 1HB PRO 41 -20.518 -4.926 1.032
301 HG2 PRO 41 2HG PRO 41 -18.008 -5.384 2.586
302 HG3 PRO 41 1HG PRO 41 -19.348 -6.499 2.269
303 HD2 PRO 41 2HD PRO 41 -16.947 -6.456 0.874
304 HD3 PRO 41 1HD PRO 41 -18.456 -7.165 0.272
305 H ALA 42 H ALA 42 -16.183 -3.938 0.264
306 HA ALA 42 HA ALA 42 -16.048 -1.170 1.077
307 HB1 ALA 42 1HB ALA 42 -14.910 -3.339 2.834
308 HB2 ALA 42 2HB ALA 42 -16.322 -2.354 3.208
309 HB3 ALA 42 3HB ALA 42 -14.733 -1.601 3.073
310 H HIS 43 H HIS 43 -14.773 -0.548 -0.549
311 HA HIS 43 HA HIS 43 -12.578 -1.935 -1.603
312 HB2 HIS 43 2HB HIS 43 -12.981 1.062 -1.384
313 HB3 HIS 43 1HB HIS 43 -11.730 0.269 -2.340
314 HD1 HIS 43 1HD HIS 43 -15.217 1.440 -2.467
315 HD2 HIS 43 2HD HIS 43 -12.763 -1.132 -4.594
316 HE1 HIS 43 1HE HIS 43 -16.311 1.159 -4.719
317 H LYS 44 H LYS 44 -10.765 -2.430 -0.655
318 HA LYS 44 HA LYS 44 -9.990 -0.958 1.760
319 HB2 LYS 44 2HB LYS 44 -9.314 -3.797 0.982
320 HB3 LYS 44 1HB LYS 44 -8.859 -3.007 2.486
321 HG2 LYS 44 2HG LYS 44 -11.285 -2.768 3.025
322 HG3 LYS 44 1HG LYS 44 -11.653 -3.707 1.583
323 HD2 LYS 44 2HD LYS 44 -10.075 -4.646 3.985
324 HD3 LYS 44 1HD LYS 44 -11.719 -5.109 3.576
325 HE2 LYS 44 2HE LYS 44 -10.915 -6.194 1.537
326 HE3 LYS 44 1HE LYS 44 -9.266 -5.699 1.921
327 HZ1 LYS 44 3HZ LYS 44 -9.376 -7.028 3.933
328 HZ2 LYS 44 1HZ LYS 44 -9.675 -7.989 2.592
329 HZ3 LYS 44 2HZ LYS 44 -10.939 -7.492 3.587
330 H CYS 45 H CYS 45 -7.891 -0.235 1.959
331 HA CYS 45 HA CYS 45 -6.429 -0.051 -0.523
332 HB2 CYS 45 2HB CYS 45 -6.021 1.253 2.169
333 HB3 CYS 45 1HB CYS 45 -4.953 1.484 0.790
334 H ILE 46 H ILE 46 -4.634 -1.069 -0.937
335 HA ILE 46 HA ILE 46 -3.523 -2.770 1.178
336 HB ILE 46 HB ILE 46 -3.596 -3.352 -1.801
337 HG12 ILE 46 2HG1 ILE 46 -5.877 -3.439 -0.934
338 HG13 ILE 46 1HG1 ILE 46 -5.276 -5.053 -1.345
339 HG21 ILE 46 1HG2 ILE 46 -3.012 -5.635 -1.105
340 HG22 ILE 46 2HG2 ILE 46 -2.825 -5.055 0.549
341 HG23 ILE 46 3HG2 ILE 46 -1.759 -4.450 -0.725
342 HD11 ILE 46 3HD1 ILE 46 -5.485 -3.894 1.421
343 HD12 ILE 46 1HD1 ILE 46 -4.932 -5.513 0.993
344 HD13 ILE 46 2HD1 ILE 46 -6.609 -5.044 0.692
345 H CYS 47 H CYS 47 -1.292 -2.659 1.351
346 HA CYS 47 HA CYS 47 -0.013 -0.558 -0.140
347 HB2 CYS 47 2HB CYS 47 1.000 -2.335 2.098
348 HB3 CYS 47 1HB CYS 47 1.861 -0.957 1.423
349 H TYR 48 H TYR 48 1.583 -0.889 -1.612
350 HA TYR 48 HA TYR 48 1.981 -3.666 -2.480
351 HB2 TYR 48 2HB TYR 48 1.977 -1.099 -4.063
352 HB3 TYR 48 1HB TYR 48 2.419 -2.663 -4.723
353 HD1 TYR 48 2HD TYR 48 -0.354 -0.618 -3.446
354 HD2 TYR 48 1HD TYR 48 0.719 -4.273 -5.325
355 HE1 TYR 48 2HE TYR 48 -2.695 -1.002 -4.032
356 HE2 TYR 48 1HE TYR 48 -1.603 -4.642 -5.942
357 HH TYR 48 HH TYR 48 -4.002 -2.276 -5.728
358 H PHE 49 H PHE 49 3.922 -4.355 -2.034
359 HA PHE 49 HA PHE 49 6.133 -2.460 -1.793
360 HB2 PHE 49 2HB PHE 49 5.725 -5.269 -0.763
361 HB3 PHE 49 1HB PHE 49 7.294 -4.466 -0.713
362 HD1 PHE 49 1HD PHE 49 3.859 -4.501 0.691
363 HD2 PHE 49 2HD PHE 49 7.714 -2.650 0.757
364 HE1 PHE 49 1HE PHE 49 3.285 -3.338 2.752
365 HE2 PHE 49 2HE PHE 49 7.109 -1.504 2.843
366 HZ PHE 49 HZ PHE 49 4.895 -1.855 3.826
367 HA PRO 50 HA PRO 50 7.792 -3.738 -5.591
368 HB2 PRO 50 2HB PRO 50 10.427 -3.256 -5.270
369 HB3 PRO 50 1HB PRO 50 9.226 -1.963 -5.393
370 HG2 PRO 50 2HG PRO 50 10.566 -3.078 -2.967
371 HG3 PRO 50 1HG PRO 50 10.174 -1.395 -3.354
372 HD2 PRO 50 2HD PRO 50 8.693 -2.978 -1.680
373 HD3 PRO 50 1HD PRO 50 8.029 -1.600 -2.570
374 H CYS 51 H CYS 51 8.003 -5.776 -6.381
375 HA CYS 51 HA CYS 51 10.045 -7.448 -5.171
376 HB2 CYS 51 2HB CYS 51 7.263 -8.332 -5.983
377 HB3 CYS 51 1HB CYS 51 8.561 -9.415 -5.490
Start of MODEL 20
1 H1 GLN 1 1HT GLN 1 10.044 -4.840 -12.377
2 H2 GLN 1 2HT GLN 1 8.425 -4.395 -12.601
3 H3 GLN 1 3HT GLN 1 8.836 -6.005 -12.620
4 HA GLN 1 HA GLN 1 9.423 -5.880 -10.270
5 HB2 GLN 1 2HB GLN 1 8.502 -3.023 -10.659
6 HB3 GLN 1 1HB GLN 1 8.549 -3.798 -9.091
7 HG2 GLN 1 2HG GLN 1 10.945 -3.440 -10.871
8 HG3 GLN 1 1HG GLN 1 10.488 -2.335 -9.576
9 HE21 GLN 1 1HE2 GLN 1 11.808 -5.413 -10.348
10 HE22 GLN 1 2HE2 GLN 1 12.274 -5.835 -8.745
11 H LYS 2 H LYS 2 7.845 -6.938 -9.182
12 HA LYS 2 HA LYS 2 5.148 -6.436 -10.171
13 HB2 LYS 2 2HB LYS 2 5.893 -8.777 -10.358
14 HB3 LYS 2 1HB LYS 2 6.179 -8.823 -8.623
15 HG2 LYS 2 2HG LYS 2 3.833 -8.530 -8.172
16 HG3 LYS 2 1HG LYS 2 3.492 -8.302 -9.884
17 HD2 LYS 2 2HD LYS 2 4.279 -10.591 -10.314
18 HD3 LYS 2 1HD LYS 2 4.542 -10.811 -8.584
19 HE2 LYS 2 2HE LYS 2 2.406 -11.786 -9.283
20 HE3 LYS 2 1HE LYS 2 2.163 -10.441 -8.172
21 HZ1 LYS 2 3HZ LYS 2 1.572 -9.034 -10.024
22 HZ2 LYS 2 1HZ LYS 2 0.626 -10.423 -10.064
23 HZ3 LYS 2 2HZ LYS 2 1.919 -10.250 -11.129
24 H LEU 3 H LEU 3 3.863 -5.315 -8.998
25 HA LEU 3 HA LEU 3 4.603 -4.546 -6.352
26 HB2 LEU 3 2HB LEU 3 2.109 -4.090 -7.934
27 HB3 LEU 3 1HB LEU 3 2.412 -3.370 -6.382
28 HG LEU 3 HG LEU 3 3.945 -2.818 -8.926
29 HD11 LEU 3 1HD1 LEU 3 2.054 -1.133 -7.294
30 HD12 LEU 3 2HD1 LEU 3 1.750 -1.800 -8.900
31 HD13 LEU 3 3HD1 LEU 3 2.990 -0.568 -8.672
32 HD21 LEU 3 3HD2 LEU 3 5.451 -2.706 -7.001
33 HD22 LEU 3 1HD2 LEU 3 4.310 -1.658 -6.154
34 HD23 LEU 3 2HD2 LEU 3 5.112 -1.090 -7.615
35 H CYS 4 H CYS 4 4.467 -6.010 -4.902
36 HA CYS 4 HA CYS 4 2.296 -7.923 -4.863
37 HB2 CYS 4 2HB CYS 4 4.670 -7.594 -3.017
38 HB3 CYS 4 1HB CYS 4 3.492 -8.900 -2.911
39 H GLN 5 H GLN 5 0.560 -7.728 -3.624
40 HA GLN 5 HA GLN 5 0.204 -5.167 -2.391
41 HB2 GLN 5 2HB GLN 5 -2.134 -5.700 -2.307
42 HB3 GLN 5 1HB GLN 5 -1.505 -6.131 -3.882
43 HG2 GLN 5 2HG GLN 5 -1.403 -8.493 -3.159
44 HG3 GLN 5 1HG GLN 5 -2.124 -8.015 -1.626
45 HE21 GLN 5 1HE2 GLN 5 -3.880 -6.018 -2.999
46 HE22 GLN 5 2HE2 GLN 5 -5.094 -6.948 -3.751
47 H ARG 6 H ARG 6 -0.368 -4.758 -0.335
48 HA ARG 6 HA ARG 6 0.042 -6.866 1.668
49 HB2 ARG 6 2HB ARG 6 1.991 -5.373 1.613
50 HB3 ARG 6 1HB ARG 6 0.944 -3.973 1.740
51 HG2 ARG 6 2HG ARG 6 1.970 -4.388 3.881
52 HG3 ARG 6 1HG ARG 6 0.249 -4.744 3.989
53 HD2 ARG 6 2HD ARG 6 0.744 -7.132 3.717
54 HD3 ARG 6 1HD ARG 6 2.465 -6.752 3.649
55 HE ARG 6 HE ARG 6 1.708 -5.634 5.962
56 HH11 ARG 6 1HH1 ARG 6 1.409 -8.912 4.657
57 HH12 ARG 6 2HH1 ARG 6 1.295 -9.674 6.168
58 HH21 ARG 6 1HH2 ARG 6 1.579 -6.679 8.063
59 HH22 ARG 6 2HH2 ARG 6 1.414 -8.365 8.165
60 HA PRO 7 HA PRO 7 -4.178 -5.426 2.211
61 HB2 PRO 7 2HB PRO 7 -4.181 -7.346 4.448
62 HB3 PRO 7 1HB PRO 7 -5.256 -7.243 3.054
63 HG2 PRO 7 2HG PRO 7 -3.411 -9.167 3.222
64 HG3 PRO 7 1HG PRO 7 -3.812 -8.408 1.672
65 HD2 PRO 7 2HD PRO 7 -1.459 -7.943 3.460
66 HD3 PRO 7 1HD PRO 7 -1.541 -8.049 1.685
67 H SER 8 H SER 8 -2.436 -6.142 5.295
68 HA SER 8 HA SER 8 -3.100 -3.404 5.997
69 HB2 SER 8 2HB SER 8 -3.690 -5.786 7.756
70 HB3 SER 8 1HB SER 8 -3.830 -4.099 8.253
71 HG SER 8 HG SER 8 -5.056 -4.531 5.919
72 H GLY 9 H GLY 9 -1.077 -2.623 5.946
73 HA2 GLY 9 2HA GLY 9 0.782 -3.777 7.891
74 HA3 GLY 9 1HA GLY 9 1.234 -2.703 6.556
75 H THR 10 H THR 10 -0.012 -0.643 6.578
76 HA THR 10 HA THR 10 -0.393 0.323 9.328
77 HB THR 10 HB THR 10 1.457 1.513 8.390
78 HG1 THR 10 1HG THR 10 0.520 3.089 9.426
79 HG21 THR 10 3HG2 THR 10 -0.344 2.132 6.056
80 HG22 THR 10 1HG2 THR 10 1.078 1.102 6.035
81 HG23 THR 10 2HG2 THR 10 1.254 2.842 6.297
82 H TRP 11 H TRP 11 -1.793 0.341 6.067
83 HA TRP 11 HA TRP 11 -3.759 2.210 6.315
84 HB2 TRP 11 2HB TRP 11 -3.702 1.326 4.149
85 HB3 TRP 11 1HB TRP 11 -3.711 -0.345 4.718
86 HD1 TRP 11 HD TRP 11 -6.209 2.617 4.199
87 HE1 TRP 11 1HE TRP 11 -8.588 1.645 4.211
88 HE3 TRP 11 3HE TRP 11 -5.106 -2.234 5.196
89 HZ2 TRP 11 2HZ TRP 11 -9.814 -0.834 4.580
90 HZ3 TRP 11 3HZ TRP 11 -6.912 -3.850 5.339
91 HH2 TRP 11 HH TRP 11 -9.235 -3.164 5.053
92 H SER 12 H SER 12 -5.555 2.547 7.324
93 HA SER 12 HA SER 12 -7.205 0.422 8.327
94 HB2 SER 12 2HB SER 12 -6.148 2.637 10.135
95 HB3 SER 12 1HB SER 12 -7.311 1.395 10.597
96 HG SER 12 HG SER 12 -4.794 0.709 9.581
97 H GLY 13 H GLY 13 -9.230 1.006 7.620
98 HA2 GLY 13 2HA GLY 13 -10.916 2.857 7.938
99 HA3 GLY 13 1HA GLY 13 -9.730 3.862 7.117
100 H VAL 14 H VAL 14 -11.408 4.224 5.517
101 HA VAL 14 HA VAL 14 -11.844 1.921 3.736
102 HB VAL 14 HB VAL 14 -13.854 3.191 4.590
103 HG11 VAL 14 1HG1 VAL 14 -14.445 5.349 3.600
104 HG12 VAL 14 2HG1 VAL 14 -12.850 5.422 2.853
105 HG13 VAL 14 3HG1 VAL 14 -12.998 5.435 4.608
106 HG21 VAL 14 3HG2 VAL 14 -13.511 3.176 1.590
107 HG22 VAL 14 1HG2 VAL 14 -15.054 3.299 2.434
108 HG23 VAL 14 2HG2 VAL 14 -14.079 1.838 2.587
109 H CYS 15 H CYS 15 -11.660 2.400 1.349
110 HA CYS 15 HA CYS 15 -9.321 4.032 0.893
111 HB2 CYS 15 2HB CYS 15 -9.632 1.746 -0.148
112 HB3 CYS 15 1HB CYS 15 -10.933 2.431 -1.111
113 H GLY 16 H GLY 16 -10.092 6.114 1.187
114 HA2 GLY 16 2HA GLY 16 -12.286 6.982 -0.569
115 HA3 GLY 16 1HA GLY 16 -11.670 7.872 0.819
116 H ASN 17 H ASN 17 -8.927 7.544 0.158
117 HA ASN 17 HA ASN 17 -8.649 8.998 -2.360
118 HB2 ASN 17 2HB ASN 17 -7.411 9.855 0.275
119 HB3 ASN 17 1HB ASN 17 -7.008 10.533 -1.292
120 HD21 ASN 17 1HD2 ASN 17 -9.279 10.430 1.292
121 HD22 ASN 17 2HD2 ASN 17 -10.259 11.735 0.764
122 H ASN 18 H ASN 18 -7.404 7.653 -3.467
123 HA ASN 18 HA ASN 18 -5.707 5.665 -2.461
124 HB2 ASN 18 2HB ASN 18 -5.434 7.155 -5.085
125 HB3 ASN 18 1HB ASN 18 -4.557 5.692 -4.674
126 HD21 ASN 18 1HD2 ASN 18 -6.939 4.569 -3.318
127 HD22 ASN 18 2HD2 ASN 18 -7.988 4.100 -4.590
128 H ASN 19 H ASN 19 -5.084 8.936 -3.381
129 HA ASN 19 HA ASN 19 -2.312 9.000 -3.199
130 HB2 ASN 19 2HB ASN 19 -4.206 11.268 -2.591
131 HB3 ASN 19 1HB ASN 19 -2.528 11.396 -3.105
132 HD21 ASN 19 1HD2 ASN 19 -2.015 10.984 -5.278
133 HD22 ASN 19 2HD2 ASN 19 -3.219 10.944 -6.499
134 H ALA 20 H ALA 20 -4.774 9.307 -0.743
135 HA ALA 20 HA ALA 20 -3.006 10.319 1.266
136 HB1 ALA 20 1HB ALA 20 -5.398 10.842 1.293
137 HB2 ALA 20 2HB ALA 20 -4.888 10.048 2.785
138 HB3 ALA 20 3HB ALA 20 -5.761 9.137 1.553
139 H CYS 21 H CYS 21 -4.646 7.162 0.772
140 HA CYS 21 HA CYS 21 -3.192 6.075 2.918
141 HB2 CYS 21 2HB CYS 21 -4.091 3.847 2.033
142 HB3 CYS 21 1HB CYS 21 -5.238 5.030 2.633
143 H LYS 22 H LYS 22 -2.588 6.140 -0.531
144 HA LYS 22 HA LYS 22 -0.484 4.357 -0.760
145 HB2 LYS 22 2HB LYS 22 -1.392 5.602 -2.653
146 HB3 LYS 22 1HB LYS 22 -0.825 7.108 -1.952
147 HG2 LYS 22 2HG LYS 22 1.476 6.443 -2.308
148 HG3 LYS 22 1HG LYS 22 0.944 4.871 -2.915
149 HD2 LYS 22 2HD LYS 22 1.519 6.345 -4.752
150 HD3 LYS 22 1HD LYS 22 -0.205 5.986 -4.772
151 HE2 LYS 22 2HE LYS 22 0.042 8.315 -5.250
152 HE3 LYS 22 1HE LYS 22 -0.570 8.190 -3.612
153 HZ1 LYS 22 3HZ LYS 22 1.158 9.836 -3.805
154 HZ2 LYS 22 1HZ LYS 22 2.245 8.712 -4.384
155 HZ3 LYS 22 2HZ LYS 22 1.701 8.629 -2.789
156 H ASN 23 H ASN 23 -0.405 7.833 0.191
157 HA ASN 23 HA ASN 23 2.292 8.076 0.728
158 HB2 ASN 23 2HB ASN 23 0.729 9.934 0.479
159 HB3 ASN 23 1HB ASN 23 -0.109 9.433 1.940
160 HD21 ASN 23 1HD2 ASN 23 0.214 11.191 3.064
161 HD22 ASN 23 2HD2 ASN 23 1.736 11.750 3.608
162 H GLN 24 H GLN 24 -0.474 7.287 2.821
163 HA GLN 24 HA GLN 24 0.846 7.006 5.232
164 HB2 GLN 24 2HB GLN 24 -1.546 6.955 5.257
165 HB3 GLN 24 1HB GLN 24 -1.587 5.576 4.163
166 HG2 GLN 24 2HG GLN 24 -0.590 4.169 5.874
167 HG3 GLN 24 1HG GLN 24 -0.523 5.534 6.972
168 HE21 GLN 24 1HE2 GLN 24 -1.668 4.263 8.386
169 HE22 GLN 24 2HE2 GLN 24 -3.387 4.104 8.288
170 H CYS 25 H CYS 25 0.441 4.590 2.634
171 HA CYS 25 HA CYS 25 1.503 2.430 4.089
172 HB2 CYS 25 2HB CYS 25 1.607 2.922 1.096
173 HB3 CYS 25 1HB CYS 25 1.903 1.385 1.928
174 H ILE 26 H ILE 26 2.908 4.582 1.710
175 HA ILE 26 HA ILE 26 5.538 3.700 1.688
176 HB ILE 26 HB ILE 26 4.440 6.481 1.188
177 HG12 ILE 26 2HG1 ILE 26 5.055 4.345 -0.835
178 HG13 ILE 26 1HG1 ILE 26 3.472 4.485 -0.081
179 HG21 ILE 26 1HG2 ILE 26 6.421 6.795 -0.218
180 HG22 ILE 26 2HG2 ILE 26 6.997 5.192 0.230
181 HG23 ILE 26 3HG2 ILE 26 6.891 6.460 1.451
182 HD11 ILE 26 3HD1 ILE 26 3.565 5.546 -2.248
183 HD12 ILE 26 1HD1 ILE 26 4.826 6.652 -1.661
184 HD13 ILE 26 2HD1 ILE 26 3.199 6.650 -0.929
185 H ARG 27 H ARG 27 3.933 5.998 3.804
186 HA ARG 27 HA ARG 27 6.339 6.870 5.051
187 HB2 ARG 27 2HB ARG 27 3.455 7.271 5.763
188 HB3 ARG 27 1HB ARG 27 4.768 7.878 6.757
189 HG2 ARG 27 2HG ARG 27 4.166 8.636 3.903
190 HG3 ARG 27 1HG ARG 27 3.892 9.623 5.340
191 HD2 ARG 27 2HD ARG 27 6.531 8.745 4.182
192 HD3 ARG 27 1HD ARG 27 5.902 10.380 4.307
193 HE ARG 27 HE ARG 27 5.950 9.510 6.869
194 HH11 ARG 27 1HH1 ARG 27 8.387 9.901 4.339
195 HH12 ARG 27 2HH1 ARG 27 9.699 10.016 5.421
196 HH21 ARG 27 1HH2 ARG 27 7.753 9.601 8.354
197 HH22 ARG 27 2HH2 ARG 27 9.336 9.804 7.769
198 H LEU 28 H LEU 28 4.072 4.235 5.812
199 HA LEU 28 HA LEU 28 5.507 4.081 8.376
200 HB2 LEU 28 2HB LEU 28 2.694 3.242 7.771
201 HB3 LEU 28 1HB LEU 28 3.535 2.756 9.220
202 HG LEU 28 HG LEU 28 2.106 4.493 9.793
203 HD11 LEU 28 1HD1 LEU 28 3.564 6.268 10.615
204 HD12 LEU 28 2HD1 LEU 28 4.863 5.657 9.596
205 HD13 LEU 28 3HD1 LEU 28 4.212 4.654 10.897
206 HD21 LEU 28 3HD2 LEU 28 3.247 6.160 7.570
207 HD22 LEU 28 1HD2 LEU 28 2.102 6.735 8.780
208 HD23 LEU 28 2HD2 LEU 28 1.625 5.471 7.642
209 H GLU 29 H GLU 29 4.072 1.986 5.912
210 HA GLU 29 HA GLU 29 5.723 -0.150 7.020
211 HB2 GLU 29 2HB GLU 29 4.393 -1.679 5.579
212 HB3 GLU 29 1HB GLU 29 3.407 -0.775 6.710
213 HG2 GLU 29 2HG GLU 29 2.804 0.778 4.884
214 HG3 GLU 29 1HG GLU 29 3.721 -0.230 3.771
215 H LYS 30 H LYS 30 5.711 2.160 4.770
216 HA LYS 30 HA LYS 30 7.003 2.828 3.130
217 HB2 LYS 30 2HB LYS 30 8.938 0.793 4.210
218 HB3 LYS 30 1HB LYS 30 9.338 2.021 3.013
219 HG2 LYS 30 2HG LYS 30 8.737 3.769 4.605
220 HG3 LYS 30 1HG LYS 30 8.351 2.537 5.804
221 HD2 LYS 30 2HD LYS 30 10.651 1.755 5.739
222 HD3 LYS 30 1HD LYS 30 11.035 2.980 4.530
223 HE2 LYS 30 2HE LYS 30 10.411 4.737 6.117
224 HE3 LYS 30 1HE LYS 30 10.041 3.506 7.323
225 HZ1 LYS 30 3HZ LYS 30 12.684 3.963 6.090
226 HZ2 LYS 30 1HZ LYS 30 12.349 2.819 7.274
227 HZ3 LYS 30 2HZ LYS 30 12.242 4.462 7.644
228 H ALA 31 H ALA 31 5.203 1.734 2.073
229 HA ALA 31 HA ALA 31 6.020 -0.369 0.248
230 HB1 ALA 31 1HB ALA 31 3.442 1.184 0.507
231 HB2 ALA 31 2HB ALA 31 3.757 -0.404 1.205
232 HB3 ALA 31 3HB ALA 31 3.693 -0.206 -0.549
233 H ARG 32 H ARG 32 5.172 0.250 -2.136
234 HA ARG 32 HA ARG 32 6.469 2.812 -2.757
235 HB2 ARG 32 2HB ARG 32 5.723 0.544 -4.604
236 HB3 ARG 32 1HB ARG 32 6.498 2.035 -5.104
237 HG2 ARG 32 2HG ARG 32 7.634 -0.065 -3.292
238 HG3 ARG 32 1HG ARG 32 8.104 0.238 -4.964
239 HD2 ARG 32 2HD ARG 32 8.774 2.568 -4.189
240 HD3 ARG 32 1HD ARG 32 8.556 1.979 -2.539
241 HE ARG 32 HE ARG 32 10.367 0.719 -4.454
242 HH11 ARG 32 1HH1 ARG 32 9.826 1.993 -1.177
243 HH12 ARG 32 2HH1 ARG 32 11.385 1.649 -0.612
244 HH21 ARG 32 1HH2 ARG 32 12.559 0.270 -3.654
245 HH22 ARG 32 2HH2 ARG 32 12.973 0.671 -2.055
246 H HIS 33 H HIS 33 3.458 1.068 -3.023
247 HA HIS 33 HA HIS 33 2.138 3.497 -3.906
248 HB2 HIS 33 2HB HIS 33 2.732 2.271 -5.983
249 HB3 HIS 33 1HB HIS 33 1.930 0.839 -5.378
250 HD1 HIS 33 1HD HIS 33 1.054 4.390 -6.512
251 HD2 HIS 33 2HD HIS 33 -0.665 0.627 -6.066
252 HE1 HIS 33 1HE HIS 33 -1.283 4.598 -7.384
253 H GLY 34 H GLY 34 -0.320 3.138 -3.801
254 HA2 GLY 34 2HA GLY 34 -1.341 0.950 -2.285
255 HA3 GLY 34 1HA GLY 34 -1.319 2.477 -1.397
256 H SER 35 H SER 35 -3.464 0.716 -2.884
257 HA SER 35 HA SER 35 -4.980 2.991 -3.735
258 HB2 SER 35 2HB SER 35 -5.448 1.945 -6.064
259 HB3 SER 35 1HB SER 35 -3.942 2.826 -5.832
260 HG SER 35 HG SER 35 -2.876 1.118 -6.125
261 H CYS 36 H CYS 36 -7.147 2.015 -4.964
262 HA CYS 36 HA CYS 36 -8.344 0.548 -2.800
263 HB2 CYS 36 2HB CYS 36 -9.560 1.550 -5.375
264 HB3 CYS 36 1HB CYS 36 -10.442 0.848 -4.040
265 H ASN 37 H ASN 37 -8.524 -1.554 -2.785
266 HA ASN 37 HA ASN 37 -8.962 -2.905 -5.346
267 HB2 ASN 37 2HB ASN 37 -7.677 -4.021 -2.835
268 HB3 ASN 37 1HB ASN 37 -8.264 -5.033 -4.141
269 HD21 ASN 37 1HD2 ASN 37 -7.330 -3.121 -6.224
270 HD22 ASN 37 2HD2 ASN 37 -5.615 -3.316 -6.240
271 H TYR 38 H TYR 38 -10.841 -3.931 -5.525
272 HA TYR 38 HA TYR 38 -12.597 -3.612 -3.279
273 HB2 TYR 38 2HB TYR 38 -13.494 -2.983 -5.480
274 HB3 TYR 38 1HB TYR 38 -13.266 -4.639 -6.048
275 HD1 TYR 38 2HD TYR 38 -15.102 -2.579 -3.569
276 HD2 TYR 38 1HD TYR 38 -14.907 -6.302 -5.608
277 HE1 TYR 38 2HE TYR 38 -17.277 -3.194 -2.634
278 HE2 TYR 38 1HE TYR 38 -17.086 -6.933 -4.675
279 HH TYR 38 HH TYR 38 -19.095 -4.683 -3.092
280 H VAL 39 H VAL 39 -12.553 -5.002 -1.850
281 HA VAL 39 HA VAL 39 -12.802 -7.777 -2.608
282 HB VAL 39 HB VAL 39 -11.827 -8.365 -0.352
283 HG11 VAL 39 1HG1 VAL 39 -9.472 -7.954 -0.922
284 HG12 VAL 39 2HG1 VAL 39 -9.980 -6.781 -2.137
285 HG13 VAL 39 3HG1 VAL 39 -10.404 -8.482 -2.323
286 HG21 VAL 39 3HG2 VAL 39 -11.052 -5.447 -0.257
287 HG22 VAL 39 1HG2 VAL 39 -10.532 -6.688 0.884
288 HG23 VAL 39 2HG2 VAL 39 -12.236 -6.232 0.785
289 H PHE 40 H PHE 40 -14.484 -8.811 -1.505
290 HA PHE 40 HA PHE 40 -16.667 -7.212 -1.102
291 HB2 PHE 40 2HB PHE 40 -16.833 -9.593 -1.665
292 HB3 PHE 40 1HB PHE 40 -16.227 -10.016 -0.068
293 HD1 PHE 40 1HD PHE 40 -19.085 -8.581 -1.899
294 HD2 PHE 40 2HD PHE 40 -17.666 -10.083 1.815
295 HE1 PHE 40 1HE PHE 40 -21.388 -8.620 -1.034
296 HE2 PHE 40 2HE PHE 40 -19.965 -10.127 2.683
297 HZ PHE 40 HZ PHE 40 -21.823 -9.395 1.265
298 HA PRO 41 HA PRO 41 -18.114 -6.350 -0.375
299 HB2 PRO 41 2HB PRO 41 -19.740 -5.062 1.178
300 HB3 PRO 41 1HB PRO 41 -19.533 -6.804 1.409
301 HG2 PRO 41 2HG PRO 41 -18.507 -4.549 3.065
302 HG3 PRO 41 1HG PRO 41 -18.978 -6.178 3.567
303 HD2 PRO 41 2HD PRO 41 -16.337 -5.201 2.931
304 HD3 PRO 41 1HD PRO 41 -16.798 -6.839 3.448
305 H ALA 42 H ALA 42 -15.540 -4.595 0.485
306 HA ALA 42 HA ALA 42 -16.557 -2.094 -0.532
307 HB1 ALA 42 1HB ALA 42 -17.192 -1.910 1.820
308 HB2 ALA 42 2HB ALA 42 -15.943 -0.730 1.406
309 HB3 ALA 42 3HB ALA 42 -15.521 -2.198 2.288
310 H HIS 43 H HIS 43 -14.957 -0.538 -0.951
311 HA HIS 43 HA HIS 43 -12.536 -1.676 -1.941
312 HB2 HIS 43 2HB HIS 43 -13.466 1.204 -1.860
313 HB3 HIS 43 1HB HIS 43 -12.077 0.610 -2.752
314 HD1 HIS 43 1HD HIS 43 -15.766 0.936 -2.929
315 HD2 HIS 43 2HD HIS 43 -12.714 -0.912 -5.042
316 HE1 HIS 43 1HE HIS 43 -16.759 0.294 -5.149
317 H LYS 44 H LYS 44 -10.729 -1.855 -0.880
318 HA LYS 44 HA LYS 44 -10.259 -0.127 1.452
319 HB2 LYS 44 2HB LYS 44 -9.316 -2.955 0.957
320 HB3 LYS 44 1HB LYS 44 -8.932 -1.916 2.340
321 HG2 LYS 44 2HG LYS 44 -11.177 -1.968 3.127
322 HG3 LYS 44 1HG LYS 44 -11.753 -2.715 1.639
323 HD2 LYS 44 2HD LYS 44 -10.702 -4.763 2.145
324 HD3 LYS 44 1HD LYS 44 -9.764 -4.074 3.460
325 HE2 LYS 44 2HE LYS 44 -11.606 -5.389 4.340
326 HE3 LYS 44 1HE LYS 44 -11.867 -3.690 4.706
327 HZ1 LYS 44 3HZ LYS 44 -13.868 -4.764 3.968
328 HZ2 LYS 44 1HZ LYS 44 -13.161 -5.206 2.501
329 HZ3 LYS 44 2HZ LYS 44 -13.442 -3.556 2.900
330 H CYS 45 H CYS 45 -7.963 0.397 1.838
331 HA CYS 45 HA CYS 45 -6.557 0.765 -0.669
332 HB2 CYS 45 2HB CYS 45 -5.949 1.709 2.133
333 HB3 CYS 45 1HB CYS 45 -4.936 2.030 0.738
334 H ILE 46 H ILE 46 -5.328 -0.828 -1.273
335 HA ILE 46 HA ILE 46 -4.024 -2.359 0.833
336 HB ILE 46 HB ILE 46 -4.285 -3.149 -2.095
337 HG12 ILE 46 2HG1 ILE 46 -6.544 -2.997 -1.150
338 HG13 ILE 46 1HG1 ILE 46 -6.055 -4.669 -1.434
339 HG21 ILE 46 1HG2 ILE 46 -3.657 -4.686 0.401
340 HG22 ILE 46 2HG2 ILE 46 -2.494 -4.250 -0.852
341 HG23 ILE 46 3HG2 ILE 46 -3.808 -5.397 -1.199
342 HD11 ILE 46 3HD1 ILE 46 -7.314 -4.388 0.657
343 HD12 ILE 46 1HD1 ILE 46 -6.063 -3.300 1.256
344 HD13 ILE 46 2HD1 ILE 46 -5.686 -4.998 0.932
345 H CYS 47 H CYS 47 -1.848 -2.365 0.907
346 HA CYS 47 HA CYS 47 -0.554 -0.259 -0.598
347 HB2 CYS 47 2HB CYS 47 0.492 -1.984 1.662
348 HB3 CYS 47 1HB CYS 47 1.256 -0.531 1.022
349 H TYR 48 H TYR 48 1.616 -0.678 -1.550
350 HA TYR 48 HA TYR 48 1.819 -3.412 -2.631
351 HB2 TYR 48 2HB TYR 48 1.915 -0.824 -4.126
352 HB3 TYR 48 1HB TYR 48 2.461 -2.349 -4.801
353 HD1 TYR 48 2HD TYR 48 0.819 -4.118 -5.319
354 HD2 TYR 48 1HD TYR 48 -0.434 -0.312 -3.856
355 HE1 TYR 48 2HE TYR 48 -1.447 -4.596 -6.046
356 HE2 TYR 48 1HE TYR 48 -2.716 -0.795 -4.594
357 HH TYR 48 HH TYR 48 -3.849 -2.186 -6.169
358 H PHE 49 H PHE 49 3.752 -4.260 -2.523
359 HA PHE 49 HA PHE 49 6.076 -2.538 -2.118
360 HB2 PHE 49 2HB PHE 49 5.472 -5.349 -1.213
361 HB3 PHE 49 1HB PHE 49 7.092 -4.663 -1.148
362 HD1 PHE 49 1HD PHE 49 3.686 -4.472 0.210
363 HD2 PHE 49 2HD PHE 49 7.672 -3.039 0.468
364 HE1 PHE 49 1HE PHE 49 3.185 -3.433 2.396
365 HE2 PHE 49 2HE PHE 49 7.169 -2.021 2.638
366 HZ PHE 49 HZ PHE 49 4.917 -2.229 3.595
367 HA PRO 50 HA PRO 50 7.555 -4.108 -5.957
368 HB2 PRO 50 2HB PRO 50 10.137 -3.440 -5.827
369 HB3 PRO 50 1HB PRO 50 8.862 -2.217 -5.875
370 HG2 PRO 50 2HG PRO 50 10.478 -3.175 -3.561
371 HG3 PRO 50 1HG PRO 50 9.883 -1.545 -3.915
372 HD2 PRO 50 2HD PRO 50 8.680 -3.381 -2.153
373 HD3 PRO 50 1HD PRO 50 7.923 -1.932 -2.827
374 H CYS 51 H CYS 51 7.568 -6.237 -6.296
375 HA CYS 51 HA CYS 51 9.579 -7.888 -5.011
376 HB2 CYS 51 2HB CYS 51 7.101 -8.588 -6.598
377 HB3 CYS 51 1HB CYS 51 8.239 -9.777 -5.972
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