Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
280084 | 2kio RC | 16284 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASN 1 1H ASN 1 16.402 -14.950 -0.433
2 H2 ASN 1 2H ASN 1 17.435 -15.662 0.713
3 H3 ASN 1 3H ASN 1 18.010 -15.301 -0.844
4 HA ASN 1 HA ASN 1 18.338 -13.727 1.316
5 HB2 ASN 1 1HB ASN 1 19.061 -12.042 -0.292
6 HB3 ASN 1 2HB ASN 1 19.518 -13.637 -0.891
7 HD21 ASN 1 2HD2 ASN 1 19.033 -11.244 -2.555
8 HD22 ASN 1 1HD2 ASN 1 17.737 -11.626 -3.582
9 H GLU 2 H GLU 2 17.603 -11.337 1.486
10 HA GLU 2 HA GLU 2 14.795 -11.274 2.002
11 HB2 GLU 2 1HB GLU 2 16.790 -9.044 1.723
12 HB3 GLU 2 2HB GLU 2 15.145 -8.817 2.300
13 HG2 GLU 2 1HG GLU 2 15.637 -10.551 4.078
14 HG3 GLU 2 2HG GLU 2 17.327 -10.484 3.576
15 H LEU 3 H LEU 3 14.055 -12.060 -0.163
16 HA LEU 3 HA LEU 3 14.371 -10.710 -2.594
17 HB2 LEU 3 1HB LEU 3 13.143 -12.815 -2.443
18 HB3 LEU 3 2HB LEU 3 11.896 -12.055 -1.459
19 HG LEU 3 HG LEU 3 11.206 -10.650 -3.319
20 HD11 LEU 3 1HD1 LEU 3 13.669 -11.806 -4.630
21 HD12 LEU 3 2HD1 LEU 3 13.180 -10.116 -4.501
22 HD13 LEU 3 3HD1 LEU 3 12.335 -11.193 -5.608
23 HD21 LEU 3 3HD2 LEU 3 10.506 -12.436 -4.927
24 HD22 LEU 3 1HD2 LEU 3 10.220 -12.875 -3.243
25 HD23 LEU 3 2HD2 LEU 3 11.600 -13.551 -4.108
26 H ASP 4 H ASP 4 12.981 -9.557 0.284
27 HA ASP 4 HA ASP 4 11.129 -7.655 -0.925
28 HB2 ASP 4 1HB ASP 4 11.133 -6.670 1.415
29 HB3 ASP 4 2HB ASP 4 10.652 -8.364 1.320
30 H VAL 5 H VAL 5 13.420 -7.251 -2.308
31 HA VAL 5 HA VAL 5 15.136 -5.280 -1.094
32 HB VAL 5 HB VAL 5 14.844 -5.597 -4.076
33 HG11 VAL 5 1HG1 VAL 5 17.287 -5.261 -3.985
34 HG12 VAL 5 2HG1 VAL 5 17.211 -5.192 -2.224
35 HG13 VAL 5 3HG1 VAL 5 16.436 -3.936 -3.190
36 HG21 VAL 5 3HG2 VAL 5 16.075 -7.541 -2.107
37 HG22 VAL 5 1HG2 VAL 5 16.487 -7.521 -3.822
38 HG23 VAL 5 2HG2 VAL 5 14.836 -7.878 -3.316
39 HA PRO 6 HA PRO 6 12.159 -2.451 -3.983
40 HB2 PRO 6 1HB PRO 6 9.772 -3.842 -2.803
41 HB3 PRO 6 2HB PRO 6 9.930 -3.005 -4.367
42 HG2 PRO 6 1HG PRO 6 9.991 -5.597 -4.336
43 HG3 PRO 6 2HG PRO 6 11.236 -4.732 -5.265
44 HD2 PRO 6 1HD PRO 6 11.457 -6.002 -2.556
45 HD3 PRO 6 2HD PRO 6 12.606 -6.064 -3.910
46 H GLU 7 H GLU 7 12.469 -0.603 -2.839
47 HA GLU 7 HA GLU 7 11.848 -0.518 0.039
48 HB2 GLU 7 1HB GLU 7 13.153 1.587 -1.699
49 HB3 GLU 7 2HB GLU 7 13.113 1.556 0.064
50 HG2 GLU 7 1HG GLU 7 14.380 -0.575 0.043
51 HG3 GLU 7 2HG GLU 7 14.458 -0.496 -1.718
52 H GLN 8 H GLN 8 11.393 1.978 -2.525
53 HA GLN 8 HA GLN 8 9.344 3.352 -1.186
54 HB2 GLN 8 1HB GLN 8 9.555 2.928 -4.182
55 HB3 GLN 8 2HB GLN 8 8.576 4.169 -3.390
56 HG2 GLN 8 1HG GLN 8 10.656 5.077 -2.344
57 HG3 GLN 8 2HG GLN 8 11.598 3.901 -3.260
58 HE21 GLN 8 2HE2 GLN 8 10.373 3.972 -5.770
59 HE22 GLN 8 1HE2 GLN 8 10.506 5.528 -6.436
60 H VAL 9 H VAL 9 9.328 0.251 -2.373
61 HA VAL 9 HA VAL 9 6.460 0.007 -2.826
62 HB VAL 9 HB VAL 9 8.837 -1.835 -2.694
63 HG11 VAL 9 1HG1 VAL 9 5.922 -2.663 -2.576
64 HG12 VAL 9 2HG1 VAL 9 7.234 -3.163 -1.508
65 HG13 VAL 9 3HG1 VAL 9 7.182 -3.744 -3.171
66 HG21 VAL 9 3HG2 VAL 9 7.769 -2.546 -4.954
67 HG22 VAL 9 1HG2 VAL 9 8.539 -0.963 -4.861
68 HG23 VAL 9 2HG2 VAL 9 6.783 -1.098 -4.784
69 H ASP 10 H ASP 10 8.685 -1.499 -0.492
70 HA ASP 10 HA ASP 10 6.885 -2.384 1.421
71 HB2 ASP 10 1HB ASP 10 9.251 -2.835 1.668
72 HB3 ASP 10 2HB ASP 10 9.618 -1.115 1.807
73 H LYS 11 H LYS 11 8.242 0.900 1.143
74 HA LYS 11 HA LYS 11 6.835 1.965 3.407
75 HB2 LYS 11 1HB LYS 11 7.950 3.239 0.894
76 HB3 LYS 11 2HB LYS 11 7.090 4.190 2.100
77 HG2 LYS 11 1HG LYS 11 9.359 4.403 2.723
78 HG3 LYS 11 2HG LYS 11 8.743 3.168 3.816
79 HD2 LYS 11 1HD LYS 11 9.694 1.402 2.457
80 HD3 LYS 11 2HD LYS 11 10.147 2.554 1.200
81 HE2 LYS 11 1HE LYS 11 12.082 1.950 2.629
82 HE3 LYS 11 2HE LYS 11 11.693 3.666 2.739
83 HZ1 LYS 11 3HZ LYS 11 12.013 2.893 4.929
84 HZ2 LYS 11 1HZ LYS 11 11.029 1.533 4.683
85 HZ3 LYS 11 2HZ LYS 11 10.335 3.084 4.739
86 H LEU 12 H LEU 12 6.062 1.958 -0.073
87 HA LEU 12 HA LEU 12 3.512 3.152 0.091
88 HB2 LEU 12 1HB LEU 12 4.929 1.322 -1.750
89 HB3 LEU 12 2HB LEU 12 3.207 1.443 -1.978
90 HG LEU 12 HG LEU 12 4.837 3.033 -3.291
91 HD11 LEU 12 1HD1 LEU 12 2.391 3.160 -3.388
92 HD12 LEU 12 2HD1 LEU 12 3.088 4.779 -3.337
93 HD13 LEU 12 3HD1 LEU 12 2.367 4.084 -1.885
94 HD21 LEU 12 3HD2 LEU 12 5.673 4.928 -2.285
95 HD22 LEU 12 1HD2 LEU 12 5.780 3.836 -0.917
96 HD23 LEU 12 2HD2 LEU 12 4.436 4.959 -1.028
97 H ILE 13 H ILE 13 4.369 -0.320 0.073
98 HA ILE 13 HA ILE 13 1.844 -1.396 0.653
99 HB ILE 13 HB ILE 13 4.563 -2.243 1.680
100 HG12 ILE 13 1HG1 ILE 13 2.999 -2.765 -0.852
101 HG13 ILE 13 2HG1 ILE 13 4.632 -2.163 -0.693
102 HG21 ILE 13 1HG2 ILE 13 2.553 -3.272 2.866
103 HG22 ILE 13 2HG2 ILE 13 3.623 -4.414 2.070
104 HG23 ILE 13 3HG2 ILE 13 2.097 -3.965 1.311
105 HD11 ILE 13 3HD1 ILE 13 4.903 -4.411 -1.335
106 HD12 ILE 13 1HD1 ILE 13 3.643 -4.957 -0.229
107 HD13 ILE 13 2HD1 ILE 13 5.192 -4.402 0.404
108 H GLN 14 H GLN 14 4.373 -0.585 3.030
109 HA GLN 14 HA GLN 14 2.866 -0.851 5.366
110 HB2 GLN 14 1HB GLN 14 5.200 0.783 4.540
111 HB3 GLN 14 2HB GLN 14 4.457 1.211 6.061
112 HG2 GLN 14 1HG GLN 14 4.754 -1.082 6.877
113 HG3 GLN 14 2HG GLN 14 5.429 -1.563 5.320
114 HE21 GLN 14 2HE2 GLN 14 7.000 0.872 4.897
115 HE22 GLN 14 1HE2 GLN 14 8.273 0.843 6.020
116 H GLN 15 H GLN 15 2.793 1.648 2.956
117 HA GLN 15 HA GLN 15 1.012 3.353 4.583
118 HB2 GLN 15 1HB GLN 15 2.558 3.665 2.061
119 HB3 GLN 15 2HB GLN 15 1.320 4.830 2.469
120 HG2 GLN 15 1HG GLN 15 2.457 5.207 4.661
121 HG3 GLN 15 2HG GLN 15 3.738 4.108 4.149
122 HE21 GLN 15 2HE2 GLN 15 3.013 5.409 1.292
123 HE22 GLN 15 1HE2 GLN 15 3.994 6.794 1.298
124 H ALA 16 H ALA 16 0.719 0.781 2.537
125 HA ALA 16 HA ALA 16 -1.406 1.710 0.820
126 HB1 ALA 16 3HB ALA 16 -0.091 -0.184 0.142
127 HB2 ALA 16 1HB ALA 16 -1.744 -0.743 0.404
128 HB3 ALA 16 2HB ALA 16 -0.503 -1.063 1.615
129 H THR 17 H THR 17 -1.319 0.976 4.130
130 HA THR 17 HA THR 17 -3.774 -0.299 4.649
131 HB THR 17 HB THR 17 -3.813 1.318 6.706
132 HG1 THR 17 HG1 THR 17 -2.482 2.877 5.649
133 HG21 THR 17 3HG2 THR 17 -1.449 -0.489 6.129
134 HG22 THR 17 1HG2 THR 17 -2.981 -0.967 6.861
135 HG23 THR 17 2HG2 THR 17 -1.886 0.107 7.731
136 H SER 18 H SER 18 -3.115 2.762 3.278
137 HA SER 18 HA SER 18 -5.826 3.818 3.656
138 HB2 SER 18 1HB SER 18 -3.231 4.865 2.698
139 HB3 SER 18 2HB SER 18 -4.678 5.623 2.054
140 HG SER 18 HG SER 18 -5.282 5.560 4.456
141 H ILE 19 H ILE 19 -3.713 3.559 0.800
142 HA ILE 19 HA ILE 19 -5.494 3.728 -1.252
143 HB ILE 19 HB ILE 19 -3.152 1.859 -0.908
144 HG12 ILE 19 1HG1 ILE 19 -3.403 4.484 -2.397
145 HG13 ILE 19 2HG1 ILE 19 -2.860 4.378 -0.720
146 HG21 ILE 19 1HG2 ILE 19 -3.161 1.957 -3.448
147 HG22 ILE 19 2HG2 ILE 19 -4.801 2.586 -3.323
148 HG23 ILE 19 3HG2 ILE 19 -4.425 0.978 -2.711
149 HD11 ILE 19 3HD1 ILE 19 -1.585 3.031 -3.105
150 HD12 ILE 19 1HD1 ILE 19 -1.069 2.819 -1.434
151 HD13 ILE 19 2HD1 ILE 19 -0.929 4.399 -2.207
152 H GLU 20 H GLU 20 -5.113 1.103 0.994
153 HA GLU 20 HA GLU 20 -6.778 -0.782 -0.512
154 HB2 GLU 20 1HB GLU 20 -5.620 -0.701 2.276
155 HB3 GLU 20 2HB GLU 20 -6.874 -1.879 1.888
156 HG2 GLU 20 1HG GLU 20 -5.538 -2.855 0.149
157 HG3 GLU 20 2HG GLU 20 -4.351 -1.552 0.247
158 H ARG 21 H ARG 21 -7.170 1.312 2.315
159 HA ARG 21 HA ARG 21 -9.927 0.819 2.775
160 HB2 ARG 21 1HB ARG 21 -7.935 2.941 3.465
161 HB3 ARG 21 2HB ARG 21 -9.636 3.377 3.651
162 HG2 ARG 21 1HG ARG 21 -8.588 0.787 4.797
163 HG3 ARG 21 2HG ARG 21 -8.376 2.298 5.676
164 HD2 ARG 21 1HD ARG 21 -10.662 2.563 6.045
165 HD3 ARG 21 2HD ARG 21 -11.110 1.618 4.625
166 HE ARG 21 HE ARG 21 -9.775 -0.068 6.527
167 HH11 ARG 21 1HH2 ARG 21 -12.690 1.662 5.911
168 HH12 ARG 21 2HH2 ARG 21 -13.686 0.573 6.819
169 HH21 ARG 21 1HH1 ARG 21 -11.058 -1.505 7.711
170 HH22 ARG 21 2HH1 ARG 21 -12.762 -1.221 7.837
171 H LEU 22 H LEU 22 -8.250 2.861 0.453
172 HA LEU 22 HA LEU 22 -10.418 4.477 -0.322
173 HB2 LEU 22 1HB LEU 22 -7.773 3.736 -1.340
174 HB3 LEU 22 2HB LEU 22 -8.851 4.398 -2.527
175 HG LEU 22 HG LEU 22 -9.216 6.301 -1.047
176 HD11 LEU 22 1HD1 LEU 22 -7.031 5.107 0.598
177 HD12 LEU 22 2HD1 LEU 22 -8.723 5.227 1.074
178 HD13 LEU 22 3HD1 LEU 22 -7.765 6.685 0.856
179 HD21 LEU 22 3HD2 LEU 22 -6.285 5.910 -1.534
180 HD22 LEU 22 1HD2 LEU 22 -7.181 7.427 -1.564
181 HD23 LEU 22 2HD2 LEU 22 -7.433 6.229 -2.832
182 H CYS 23 H CYS 23 -8.958 1.872 -2.199
183 HA CYS 23 HA CYS 23 -11.115 1.572 -4.014
184 HB2 CYS 23 1HB CYS 23 -10.197 -0.931 -4.078
185 HB3 CYS 23 2HB CYS 23 -9.243 0.399 -4.729
186 H GLN 24 H GLN 24 -10.427 -0.637 -1.281
187 HA GLN 24 HA GLN 24 -12.765 -2.102 -1.262
188 HB2 GLN 24 1HB GLN 24 -11.140 -1.022 1.044
189 HB3 GLN 24 2HB GLN 24 -12.500 -2.116 1.291
190 HG2 GLN 24 1HG GLN 24 -10.329 -3.331 1.146
191 HG3 GLN 24 2HG GLN 24 -11.446 -3.805 -0.133
192 HE21 GLN 24 2HE2 GLN 24 -11.052 -2.840 -2.326
193 HE22 GLN 24 1HE2 GLN 24 -9.488 -2.329 -2.742
194 H HIS 25 H HIS 25 -12.406 1.259 -0.188
195 HA HIS 25 HA HIS 25 -15.226 1.303 0.742
196 HB2 HIS 25 1HB HIS 25 -13.394 2.404 2.072
197 HB3 HIS 25 2HB HIS 25 -13.212 3.562 0.753
198 HD1 HIS 25 HD1 HIS 25 -14.041 4.898 3.236
199 HD2 HIS 25 HD2 HIS 25 -16.868 3.085 0.761
200 HE1 HIS 25 HE1 HIS 25 -16.273 5.961 3.795
201 HE2 HIS 25 HE2 HIS 25 -17.999 4.866 2.293
202 H TYR 26 H TYR 26 -13.328 3.661 -1.181
203 HA TYR 26 HA TYR 26 -15.619 4.737 -2.474
204 HB2 TYR 26 1HB TYR 26 -12.724 4.745 -3.351
205 HB3 TYR 26 2HB TYR 26 -13.974 5.767 -4.037
206 HD1 TYR 26 HD1 TYR 26 -15.470 6.960 -1.974
207 HD2 TYR 26 HD2 TYR 26 -11.327 5.826 -1.846
208 HE1 TYR 26 HE1 TYR 26 -15.078 8.578 -0.142
209 HE2 TYR 26 HE2 TYR 26 -10.936 7.436 -0.002
210 HH TYR 26 HH TYR 26 -11.855 8.929 1.349
211 H ILE 27 H ILE 27 -13.031 2.943 -4.162
212 HA ILE 27 HA ILE 27 -15.009 2.162 -6.213
213 HB ILE 27 HB ILE 27 -12.037 1.603 -6.161
214 HG12 ILE 27 1HG1 ILE 27 -12.325 3.709 -7.869
215 HG13 ILE 27 2HG1 ILE 27 -13.591 4.111 -6.731
216 HG21 ILE 27 1HG2 ILE 27 -13.466 0.304 -7.751
217 HG22 ILE 27 2HG2 ILE 27 -12.314 1.361 -8.565
218 HG23 ILE 27 3HG2 ILE 27 -14.011 1.829 -8.451
219 HD11 ILE 27 3HD1 ILE 27 -11.615 3.571 -4.989
220 HD12 ILE 27 1HD1 ILE 27 -11.825 5.162 -5.707
221 HD13 ILE 27 2HD1 ILE 27 -10.635 4.043 -6.369
222 H GLY 28 H GLY 28 -12.278 0.191 -5.073
223 HA2 GLY 28 1HA GLY 28 -12.796 -1.809 -3.591
224 HA3 GLY 28 2HA GLY 28 -14.207 -2.072 -4.614
225 H TRP 29 H TRP 29 -10.962 -1.102 -5.674
226 HA TRP 29 HA TRP 29 -10.583 -3.789 -6.918
227 HB2 TRP 29 1HB TRP 29 -11.472 -1.614 -8.381
228 HB3 TRP 29 2HB TRP 29 -9.731 -1.490 -8.613
229 HD1 TRP 29 HD1 TRP 29 -12.376 -4.351 -8.771
230 HE1 TRP 29 HE1 TRP 29 -11.752 -5.832 -10.799
231 HE3 TRP 29 HE3 TRP 29 -8.191 -1.951 -10.330
232 HZ2 TRP 29 HZ2 TRP 29 -9.737 -5.964 -12.809
233 HZ3 TRP 29 HZ3 TRP 29 -6.932 -2.743 -12.286
234 HH2 TRP 29 HH2 TRP 29 -7.686 -4.755 -13.546
235 H CYS 30 H CYS 30 -8.956 -4.224 -5.385
236 HA CYS 30 HA CYS 30 -6.388 -2.773 -5.849
237 HB2 CYS 30 1HB CYS 30 -7.851 -3.122 -3.250
238 HB3 CYS 30 2HB CYS 30 -6.091 -3.223 -3.227
239 HA PRO 31 HA PRO 31 -5.975 -7.399 -5.767
240 HB2 PRO 31 1HB PRO 31 -5.473 -7.878 -8.364
241 HB3 PRO 31 2HB PRO 31 -7.127 -7.576 -7.791
242 HG2 PRO 31 1HG PRO 31 -5.254 -5.736 -9.210
243 HG3 PRO 31 2HG PRO 31 -7.007 -5.918 -9.393
244 HD2 PRO 31 1HD PRO 31 -5.737 -3.930 -7.851
245 HD3 PRO 31 2HD PRO 31 -7.446 -4.399 -7.713
246 H PHE 32 H PHE 32 -3.951 -4.837 -7.025
247 HA PHE 32 HA PHE 32 -1.577 -6.248 -7.601
248 HB2 PHE 32 1HB PHE 32 -2.218 -3.477 -6.660
249 HB3 PHE 32 2HB PHE 32 -0.539 -3.993 -6.515
250 HD1 PHE 32 HD2 PHE 32 -3.257 -4.513 -9.066
251 HD2 PHE 32 HD1 PHE 32 0.772 -3.230 -8.294
252 HE1 PHE 32 HE2 PHE 32 -2.924 -4.095 -11.487
253 HE2 PHE 32 HE1 PHE 32 1.102 -2.814 -10.716
254 HZ PHE 32 HZ PHE 32 -0.744 -3.248 -12.313
255 H TRP 33 H TRP 33 -3.267 -6.198 -4.702
256 HA TRP 33 HA TRP 33 -0.889 -6.518 -2.982
257 HB2 TRP 33 1HB TRP 33 -3.841 -6.437 -2.466
258 HB3 TRP 33 2HB TRP 33 -2.694 -6.858 -1.215
259 HD1 TRP 33 HD1 TRP 33 -1.633 -4.949 0.036
260 HE1 TRP 33 HE1 TRP 33 -1.496 -2.386 -0.267
261 HE3 TRP 33 HE3 TRP 33 -3.829 -4.487 -4.539
262 HZ2 TRP 33 HZ2 TRP 33 -2.223 -0.419 -2.182
263 HZ3 TRP 33 HZ3 TRP 33 -4.100 -2.256 -5.585
264 HH2 TRP 33 HH2 TRP 33 -3.301 -0.219 -4.414
Start of MODEL 2
1 H1 ASN 1 1H ASN 1 13.337 -17.408 -5.077
2 H2 ASN 1 2H ASN 1 13.457 -15.714 -5.029
3 H3 ASN 1 3H ASN 1 11.968 -16.454 -5.379
4 HA ASN 1 HA ASN 1 11.910 -17.416 -3.150
5 HB2 ASN 1 1HB ASN 1 14.467 -17.338 -2.976
6 HB3 ASN 1 2HB ASN 1 14.281 -15.631 -2.572
7 HD21 ASN 1 2HD2 ASN 1 14.542 -15.488 -0.330
8 HD22 ASN 1 1HD2 ASN 1 13.767 -16.490 0.799
9 H GLU 2 H GLU 2 12.733 -15.044 -1.316
10 HA GLU 2 HA GLU 2 10.270 -13.519 -1.783
11 HB2 GLU 2 1HB GLU 2 12.363 -12.995 0.301
12 HB3 GLU 2 2HB GLU 2 10.670 -12.525 0.341
13 HG2 GLU 2 1HG GLU 2 10.138 -15.034 0.230
14 HG3 GLU 2 2HG GLU 2 11.842 -15.299 0.604
15 H LEU 3 H LEU 3 10.665 -12.314 -3.682
16 HA LEU 3 HA LEU 3 13.070 -10.693 -3.980
17 HB2 LEU 3 1HB LEU 3 10.499 -11.072 -5.472
18 HB3 LEU 3 2HB LEU 3 11.408 -9.596 -5.787
19 HG LEU 3 HG LEU 3 13.425 -10.985 -6.279
20 HD11 LEU 3 1HD1 LEU 3 13.144 -13.408 -6.587
21 HD12 LEU 3 2HD1 LEU 3 11.465 -13.292 -6.058
22 HD13 LEU 3 3HD1 LEU 3 12.774 -12.956 -4.924
23 HD21 LEU 3 3HD2 LEU 3 11.688 -10.253 -8.020
24 HD22 LEU 3 1HD2 LEU 3 11.073 -11.905 -7.946
25 HD23 LEU 3 2HD2 LEU 3 12.728 -11.603 -8.476
26 H ASP 4 H ASP 4 11.124 -10.407 -1.623
27 HA ASP 4 HA ASP 4 9.875 -7.837 -1.809
28 HB2 ASP 4 1HB ASP 4 9.749 -7.953 0.655
29 HB3 ASP 4 2HB ASP 4 9.260 -9.481 -0.081
30 H VAL 5 H VAL 5 12.513 -7.623 -2.846
31 HA VAL 5 HA VAL 5 14.209 -6.372 -0.864
32 HB VAL 5 HB VAL 5 14.521 -6.010 -3.841
33 HG11 VAL 5 1HG1 VAL 5 16.922 -6.093 -3.217
34 HG12 VAL 5 2HG1 VAL 5 16.459 -6.288 -1.526
35 HG13 VAL 5 3HG1 VAL 5 16.066 -4.797 -2.382
36 HG21 VAL 5 3HG2 VAL 5 14.100 -8.376 -3.580
37 HG22 VAL 5 1HG2 VAL 5 15.149 -8.455 -2.164
38 HG23 VAL 5 2HG2 VAL 5 15.842 -8.163 -3.758
39 HA PRO 6 HA PRO 6 12.374 -2.503 -3.526
40 HB2 PRO 6 1HB PRO 6 9.639 -3.610 -2.954
41 HB3 PRO 6 2HB PRO 6 10.155 -2.491 -4.240
42 HG2 PRO 6 1HG PRO 6 9.817 -4.990 -4.842
43 HG3 PRO 6 2HG PRO 6 11.309 -4.188 -5.379
44 HD2 PRO 6 1HD PRO 6 10.910 -6.076 -3.082
45 HD3 PRO 6 2HD PRO 6 12.260 -5.999 -4.238
46 H GLU 7 H GLU 7 12.931 -1.078 -1.966
47 HA GLU 7 HA GLU 7 11.856 -1.298 0.744
48 HB2 GLU 7 1HB GLU 7 13.433 0.861 0.908
49 HB3 GLU 7 2HB GLU 7 14.100 -0.766 0.893
50 HG2 GLU 7 1HG GLU 7 13.661 0.712 -1.697
51 HG3 GLU 7 2HG GLU 7 15.109 0.996 -0.737
52 H GLN 8 H GLN 8 12.197 1.610 -1.407
53 HA GLN 8 HA GLN 8 10.314 3.183 -0.068
54 HB2 GLN 8 1HB GLN 8 10.822 3.033 -3.050
55 HB3 GLN 8 2HB GLN 8 9.819 4.273 -2.286
56 HG2 GLN 8 1HG GLN 8 12.020 5.213 -2.524
57 HG3 GLN 8 2HG GLN 8 11.818 4.822 -0.816
58 HE21 GLN 8 2HE2 GLN 8 12.722 2.820 -3.688
59 HE22 GLN 8 1HE2 GLN 8 14.133 2.192 -2.985
60 H VAL 9 H VAL 9 9.864 0.334 -1.763
61 HA VAL 9 HA VAL 9 7.064 0.664 -2.411
62 HB VAL 9 HB VAL 9 9.096 -1.534 -2.383
63 HG11 VAL 9 1HG1 VAL 9 7.251 -3.185 -3.001
64 HG12 VAL 9 2HG1 VAL 9 6.100 -2.006 -2.379
65 HG13 VAL 9 3HG1 VAL 9 7.299 -2.719 -1.301
66 HG21 VAL 9 3HG2 VAL 9 8.916 -0.424 -4.464
67 HG22 VAL 9 1HG2 VAL 9 7.154 -0.388 -4.403
68 HG23 VAL 9 2HG2 VAL 9 7.990 -1.906 -4.697
69 H ASP 10 H ASP 10 8.795 -1.292 0.013
70 HA ASP 10 HA ASP 10 6.683 -2.062 1.654
71 HB2 ASP 10 1HB ASP 10 9.235 -2.512 1.894
72 HB3 ASP 10 2HB ASP 10 9.274 -1.012 2.818
73 H LYS 11 H LYS 11 8.447 1.024 1.721
74 HA LYS 11 HA LYS 11 6.965 2.194 3.872
75 HB2 LYS 11 1HB LYS 11 8.538 3.330 1.558
76 HB3 LYS 11 2HB LYS 11 7.635 4.400 2.630
77 HG2 LYS 11 1HG LYS 11 9.929 4.207 3.434
78 HG3 LYS 11 2HG LYS 11 8.843 3.414 4.576
79 HD2 LYS 11 1HD LYS 11 9.464 1.249 3.848
80 HD3 LYS 11 2HD LYS 11 10.185 1.862 2.360
81 HE2 LYS 11 1HE LYS 11 11.745 1.176 4.366
82 HE3 LYS 11 2HE LYS 11 12.100 2.640 3.447
83 HZ1 LYS 11 3HZ LYS 11 11.875 2.597 6.088
84 HZ2 LYS 11 1HZ LYS 11 10.266 2.944 5.680
85 HZ3 LYS 11 2HZ LYS 11 11.514 3.966 5.148
86 H LEU 12 H LEU 12 6.558 2.410 0.333
87 HA LEU 12 HA LEU 12 4.180 3.919 0.304
88 HB2 LEU 12 1HB LEU 12 5.530 1.984 -1.472
89 HB3 LEU 12 2HB LEU 12 3.872 2.340 -1.863
90 HG LEU 12 HG LEU 12 5.821 3.738 -2.935
91 HD11 LEU 12 1HD1 LEU 12 4.321 5.753 -2.976
92 HD12 LEU 12 2HD1 LEU 12 3.323 4.970 -1.751
93 HD13 LEU 12 3HD1 LEU 12 3.498 4.238 -3.346
94 HD21 LEU 12 3HD2 LEU 12 5.447 5.626 -0.637
95 HD22 LEU 12 1HD2 LEU 12 6.794 5.465 -1.763
96 HD23 LEU 12 2HD2 LEU 12 6.611 4.326 -0.446
97 H ILE 13 H ILE 13 4.580 0.365 0.188
98 HA ILE 13 HA ILE 13 1.906 -0.408 0.460
99 HB ILE 13 HB ILE 13 4.385 -1.600 1.728
100 HG12 ILE 13 1HG1 ILE 13 3.006 -1.895 -0.947
101 HG13 ILE 13 2HG1 ILE 13 4.668 -1.465 -0.631
102 HG21 ILE 13 1HG2 ILE 13 1.762 -2.982 1.093
103 HG22 ILE 13 2HG2 ILE 13 2.185 -2.410 2.706
104 HG23 ILE 13 3HG2 ILE 13 3.153 -3.659 1.938
105 HD11 ILE 13 3HD1 ILE 13 3.373 -4.153 -0.294
106 HD12 ILE 13 1HD1 ILE 13 4.934 -3.762 0.423
107 HD13 ILE 13 2HD1 ILE 13 4.735 -3.724 -1.329
108 H GLN 14 H GLN 14 4.229 0.095 3.103
109 HA GLN 14 HA GLN 14 2.437 -0.050 5.257
110 HB2 GLN 14 1HB GLN 14 5.063 1.234 4.759
111 HB3 GLN 14 2HB GLN 14 4.219 1.743 6.204
112 HG2 GLN 14 1HG GLN 14 4.125 -0.538 7.018
113 HG3 GLN 14 2HG GLN 14 4.762 -1.153 5.491
114 HE21 GLN 14 2HE2 GLN 14 6.415 -2.048 7.242
115 HE22 GLN 14 1HE2 GLN 14 7.766 -1.063 7.537
116 H GLN 15 H GLN 15 3.186 2.648 3.108
117 HA GLN 15 HA GLN 15 1.418 4.473 4.567
118 HB2 GLN 15 1HB GLN 15 3.216 4.641 2.205
119 HB3 GLN 15 2HB GLN 15 2.040 5.911 2.450
120 HG2 GLN 15 1HG GLN 15 2.949 6.289 4.724
121 HG3 GLN 15 2HG GLN 15 4.143 5.021 4.446
122 HE21 GLN 15 2HE2 GLN 15 3.559 6.653 1.534
123 HE22 GLN 15 1HE2 GLN 15 4.868 7.731 1.585
124 H ALA 16 H ALA 16 0.996 2.002 2.405
125 HA ALA 16 HA ALA 16 -1.028 3.221 0.707
126 HB1 ALA 16 3HB ALA 16 0.393 1.283 0.009
127 HB2 ALA 16 1HB ALA 16 -1.335 1.008 -0.205
128 HB3 ALA 16 2HB ALA 16 -0.490 0.277 1.160
129 H THR 17 H THR 17 -1.002 2.216 3.903
130 HA THR 17 HA THR 17 -3.287 0.830 4.520
131 HB THR 17 HB THR 17 -3.599 2.586 6.420
132 HG1 THR 17 HG1 THR 17 -1.378 3.706 6.461
133 HG21 THR 17 3HG2 THR 17 -2.402 0.498 6.779
134 HG22 THR 17 1HG2 THR 17 -1.496 1.813 7.528
135 HG23 THR 17 2HG2 THR 17 -0.968 1.148 5.981
136 H SER 18 H SER 18 -3.133 3.929 2.999
137 HA SER 18 HA SER 18 -5.976 4.528 3.300
138 HB2 SER 18 1HB SER 18 -3.610 5.812 2.073
139 HB3 SER 18 2HB SER 18 -5.177 6.244 1.412
140 HG SER 18 HG SER 18 -4.722 7.618 3.113
141 H ILE 19 H ILE 19 -3.956 4.301 0.394
142 HA ILE 19 HA ILE 19 -5.814 3.844 -1.556
143 HB ILE 19 HB ILE 19 -3.153 2.432 -1.251
144 HG12 ILE 19 1HG1 ILE 19 -3.933 5.160 -2.335
145 HG13 ILE 19 2HG1 ILE 19 -2.895 4.834 -0.949
146 HG21 ILE 19 1HG2 ILE 19 -4.691 3.226 -3.722
147 HG22 ILE 19 2HG2 ILE 19 -4.692 1.602 -3.045
148 HG23 ILE 19 3HG2 ILE 19 -3.200 2.294 -3.660
149 HD11 ILE 19 3HD1 ILE 19 -1.361 3.590 -2.540
150 HD12 ILE 19 1HD1 ILE 19 -1.440 5.337 -2.777
151 HD13 ILE 19 2HD1 ILE 19 -2.327 4.258 -3.854
152 H GLU 20 H GLU 20 -4.595 1.578 0.821
153 HA GLU 20 HA GLU 20 -5.964 -0.716 -0.372
154 HB2 GLU 20 1HB GLU 20 -4.851 -1.996 1.184
155 HB3 GLU 20 2HB GLU 20 -3.880 -0.544 1.380
156 HG2 GLU 20 1HG GLU 20 -5.434 0.152 3.236
157 HG3 GLU 20 2HG GLU 20 -6.220 -1.420 3.097
158 H ARG 21 H ARG 21 -6.619 1.605 2.209
159 HA ARG 21 HA ARG 21 -9.058 0.374 3.111
160 HB2 ARG 21 1HB ARG 21 -7.759 3.069 3.368
161 HB3 ARG 21 2HB ARG 21 -9.473 2.947 3.767
162 HG2 ARG 21 1HG ARG 21 -7.367 1.103 4.926
163 HG3 ARG 21 2HG ARG 21 -7.870 2.596 5.714
164 HD2 ARG 21 1HD ARG 21 -9.642 1.493 6.627
165 HD3 ARG 21 2HD ARG 21 -10.253 1.129 5.014
166 HE ARG 21 HE ARG 21 -9.332 -1.045 5.201
167 HH11 ARG 21 1HH2 ARG 21 -8.198 1.101 7.650
168 HH12 ARG 21 2HH2 ARG 21 -7.422 -0.145 8.569
169 HH21 ARG 21 1HH1 ARG 21 -8.324 -2.683 6.386
170 HH22 ARG 21 2HH1 ARG 21 -7.494 -2.288 7.855
171 H LEU 22 H LEU 22 -8.180 2.608 0.559
172 HA LEU 22 HA LEU 22 -10.734 3.450 -0.251
173 HB2 LEU 22 1HB LEU 22 -8.020 3.324 -1.355
174 HB3 LEU 22 2HB LEU 22 -9.275 3.533 -2.532
175 HG LEU 22 HG LEU 22 -10.084 5.420 -1.206
176 HD11 LEU 22 1HD1 LEU 22 -7.523 5.227 0.290
177 HD12 LEU 22 2HD1 LEU 22 -9.087 4.729 0.933
178 HD13 LEU 22 3HD1 LEU 22 -8.809 6.411 0.514
179 HD21 LEU 22 3HD2 LEU 22 -8.697 5.812 -3.141
180 HD22 LEU 22 1HD2 LEU 22 -7.251 5.589 -2.160
181 HD23 LEU 22 2HD2 LEU 22 -8.296 6.982 -1.884
182 H CYS 23 H CYS 23 -8.656 1.040 -1.768
183 HA CYS 23 HA CYS 23 -10.363 -0.034 -3.654
184 HB2 CYS 23 1HB CYS 23 -9.069 -2.029 -3.613
185 HB3 CYS 23 2HB CYS 23 -7.969 -0.752 -3.102
186 H GLN 24 H GLN 24 -10.860 -0.153 -0.246
187 HA GLN 24 HA GLN 24 -12.719 -2.459 -0.432
188 HB2 GLN 24 1HB GLN 24 -11.786 -0.722 1.865
189 HB3 GLN 24 2HB GLN 24 -13.052 -1.935 2.041
190 HG2 GLN 24 1HG GLN 24 -11.527 -3.693 1.305
191 HG3 GLN 24 2HG GLN 24 -10.262 -2.502 1.001
192 HE21 GLN 24 2HE2 GLN 24 -8.761 -3.159 2.624
193 HE22 GLN 24 1HE2 GLN 24 -9.115 -3.124 4.284
194 H HIS 25 H HIS 25 -12.812 1.063 0.064
195 HA HIS 25 HA HIS 25 -15.773 1.004 0.239
196 HB2 HIS 25 1HB HIS 25 -14.453 2.500 1.729
197 HB3 HIS 25 2HB HIS 25 -13.863 3.359 0.306
198 HD1 HIS 25 HD1 HIS 25 -15.235 5.346 1.745
199 HD2 HIS 25 HD2 HIS 25 -17.497 2.522 -0.331
200 HE1 HIS 25 HE1 HIS 25 -17.546 6.346 1.462
201 HE2 HIS 25 HE2 HIS 25 -18.931 4.636 0.200
202 H TYR 26 H TYR 26 -13.561 3.126 -1.607
203 HA TYR 26 HA TYR 26 -15.288 3.986 -3.578
204 HB2 TYR 26 1HB TYR 26 -12.365 3.270 -3.680
205 HB3 TYR 26 2HB TYR 26 -13.185 3.941 -5.086
206 HD1 TYR 26 HD1 TYR 26 -12.158 4.545 -1.613
207 HD2 TYR 26 HD2 TYR 26 -13.930 6.258 -5.106
208 HE1 TYR 26 HE1 TYR 26 -11.854 6.796 -0.624
209 HE2 TYR 26 HE2 TYR 26 -13.656 8.529 -4.135
210 HH TYR 26 HH TYR 26 -11.969 9.010 -1.046
211 H ILE 27 H ILE 27 -13.089 1.205 -4.108
212 HA ILE 27 HA ILE 27 -14.919 0.234 -6.229
213 HB ILE 27 HB ILE 27 -12.225 -0.868 -5.383
214 HG12 ILE 27 1HG1 ILE 27 -11.787 0.460 -7.764
215 HG13 ILE 27 2HG1 ILE 27 -12.977 1.516 -7.023
216 HG21 ILE 27 1HG2 ILE 27 -13.404 -2.494 -6.655
217 HG22 ILE 27 2HG2 ILE 27 -12.322 -1.702 -7.803
218 HG23 ILE 27 3HG2 ILE 27 -14.034 -1.278 -7.771
219 HD11 ILE 27 3HD1 ILE 27 -11.537 1.504 -4.943
220 HD12 ILE 27 1HD1 ILE 27 -10.823 2.304 -6.340
221 HD13 ILE 27 2HD1 ILE 27 -10.302 0.679 -5.891
222 H GLY 28 H GLY 28 -12.973 -1.728 -3.992
223 HA2 GLY 28 1HA GLY 28 -14.571 -2.761 -2.124
224 HA3 GLY 28 2HA GLY 28 -15.346 -3.459 -3.549
225 H TRP 29 H TRP 29 -13.361 -4.231 -5.162
226 HA TRP 29 HA TRP 29 -12.206 -6.488 -3.751
227 HB2 TRP 29 1HB TRP 29 -12.919 -6.160 -6.316
228 HB3 TRP 29 2HB TRP 29 -11.229 -5.678 -6.483
229 HD1 TRP 29 HD1 TRP 29 -13.229 -8.655 -4.961
230 HE1 TRP 29 HE1 TRP 29 -11.808 -10.785 -5.340
231 HE3 TRP 29 HE3 TRP 29 -9.148 -6.581 -7.129
232 HZ2 TRP 29 HZ2 TRP 29 -9.271 -11.493 -6.428
233 HZ3 TRP 29 HZ3 TRP 29 -7.248 -7.967 -7.834
234 HH2 TRP 29 HH2 TRP 29 -7.282 -10.434 -7.492
235 H CYS 30 H CYS 30 -9.768 -6.902 -3.847
236 HA CYS 30 HA CYS 30 -8.075 -4.499 -3.956
237 HB2 CYS 30 1HB CYS 30 -8.418 -6.065 -1.381
238 HB3 CYS 30 2HB CYS 30 -7.280 -4.743 -1.640
239 HA PRO 31 HA PRO 31 -5.669 -7.876 -5.764
240 HB2 PRO 31 1HB PRO 31 -3.447 -6.053 -4.863
241 HB3 PRO 31 2HB PRO 31 -3.617 -6.944 -6.388
242 HG2 PRO 31 1HG PRO 31 -4.187 -4.346 -6.245
243 HG3 PRO 31 2HG PRO 31 -5.152 -5.447 -7.244
244 HD2 PRO 31 1HD PRO 31 -5.880 -4.137 -4.670
245 HD3 PRO 31 2HD PRO 31 -6.937 -4.720 -5.974
246 H PHE 32 H PHE 32 -3.402 -6.723 -3.247
247 HA PHE 32 HA PHE 32 -4.177 -8.663 -1.281
248 HB2 PHE 32 1HB PHE 32 -3.091 -9.963 -3.372
249 HB3 PHE 32 2HB PHE 32 -1.595 -9.525 -2.567
250 HD1 PHE 32 HD2 PHE 32 -1.942 -9.794 0.214
251 HD2 PHE 32 HD1 PHE 32 -3.800 -12.132 -2.877
252 HE1 PHE 32 HE2 PHE 32 -2.259 -11.657 1.813
253 HE2 PHE 32 HE1 PHE 32 -4.115 -13.995 -1.274
254 HZ PHE 32 HZ PHE 32 -3.344 -13.758 1.071
255 H TRP 33 H TRP 33 -3.721 -6.283 -0.476
256 HA TRP 33 HA TRP 33 -1.029 -5.384 -0.185
257 HB2 TRP 33 1HB TRP 33 -3.602 -4.803 1.174
258 HB3 TRP 33 2HB TRP 33 -2.158 -4.338 2.038
259 HD1 TRP 33 HD1 TRP 33 -0.602 -2.565 0.930
260 HE1 TRP 33 HE1 TRP 33 -1.046 -0.705 -0.808
261 HE3 TRP 33 HE3 TRP 33 -5.047 -4.183 -0.949
262 HZ2 TRP 33 HZ2 TRP 33 -3.021 -0.004 -2.718
263 HZ3 TRP 33 HZ3 TRP 33 -6.200 -2.897 -2.726
264 HH2 TRP 33 HH2 TRP 33 -5.194 -0.812 -3.620
Start of MODEL 3
1 H1 ASN 1 1H ASN 1 24.625 -6.831 4.285
2 H2 ASN 1 2H ASN 1 23.509 -7.969 3.697
3 H3 ASN 1 3H ASN 1 23.612 -7.660 5.364
4 HA ASN 1 HA ASN 1 22.639 -5.562 5.179
5 HB2 ASN 1 1HB ASN 1 23.240 -5.899 2.232
6 HB3 ASN 1 2HB ASN 1 22.159 -4.646 2.843
7 HD21 ASN 1 2HD2 ASN 1 23.749 -2.993 2.108
8 HD22 ASN 1 1HD2 ASN 1 25.154 -2.707 3.016
9 H GLU 2 H GLU 2 20.361 -5.259 4.927
10 HA GLU 2 HA GLU 2 18.729 -7.521 4.987
11 HB2 GLU 2 1HB GLU 2 16.900 -5.826 4.157
12 HB3 GLU 2 2HB GLU 2 17.691 -5.547 5.706
13 HG2 GLU 2 1HG GLU 2 19.152 -3.904 4.779
14 HG3 GLU 2 2HG GLU 2 18.718 -4.347 3.128
15 H LEU 3 H LEU 3 18.880 -9.077 3.399
16 HA LEU 3 HA LEU 3 19.383 -8.657 0.659
17 HB2 LEU 3 1HB LEU 3 18.236 -10.841 2.312
18 HB3 LEU 3 2HB LEU 3 17.714 -10.876 0.631
19 HG LEU 3 HG LEU 3 20.129 -10.748 -0.059
20 HD11 LEU 3 1HD1 LEU 3 21.869 -11.060 1.559
21 HD12 LEU 3 2HD1 LEU 3 20.706 -11.371 2.847
22 HD13 LEU 3 3HD1 LEU 3 20.861 -9.752 2.171
23 HD21 LEU 3 3HD2 LEU 3 18.954 -12.904 0.043
24 HD22 LEU 3 1HD2 LEU 3 19.345 -13.048 1.758
25 HD23 LEU 3 2HD2 LEU 3 20.632 -13.099 0.552
26 H ASP 4 H ASP 4 16.702 -7.742 2.494
27 HA ASP 4 HA ASP 4 14.860 -7.657 0.151
28 HB2 ASP 4 1HB ASP 4 13.193 -6.847 1.819
29 HB3 ASP 4 2HB ASP 4 13.885 -8.405 2.269
30 H VAL 5 H VAL 5 16.295 -6.060 -0.927
31 HA VAL 5 HA VAL 5 16.707 -3.476 0.266
32 HB VAL 5 HB VAL 5 17.090 -4.604 -2.502
33 HG11 VAL 5 1HG1 VAL 5 16.359 -2.414 -3.052
34 HG12 VAL 5 2HG1 VAL 5 18.121 -2.320 -3.045
35 HG13 VAL 5 3HG1 VAL 5 17.199 -1.701 -1.674
36 HG21 VAL 5 3HG2 VAL 5 19.431 -4.045 -2.029
37 HG22 VAL 5 1HG2 VAL 5 18.765 -5.040 -0.733
38 HG23 VAL 5 2HG2 VAL 5 18.957 -3.301 -0.501
39 HA PRO 6 HA PRO 6 12.922 -2.445 -2.755
40 HB2 PRO 6 1HB PRO 6 11.294 -4.755 -1.766
41 HB3 PRO 6 2HB PRO 6 11.284 -3.961 -3.346
42 HG2 PRO 6 1HG PRO 6 12.455 -6.304 -3.058
43 HG3 PRO 6 2HG PRO 6 13.208 -5.041 -4.055
44 HD2 PRO 6 1HD PRO 6 13.923 -5.925 -1.282
45 HD3 PRO 6 2HD PRO 6 14.990 -5.434 -2.612
46 H GLU 7 H GLU 7 13.155 -0.918 -0.995
47 HA GLU 7 HA GLU 7 11.433 -1.311 1.374
48 HB2 GLU 7 1HB GLU 7 13.463 0.810 0.634
49 HB3 GLU 7 2HB GLU 7 12.420 0.941 2.051
50 HG2 GLU 7 1HG GLU 7 14.197 -1.453 1.532
51 HG3 GLU 7 2HG GLU 7 14.710 -0.067 2.491
52 H GLN 8 H GLN 8 11.937 1.125 -1.211
53 HA GLN 8 HA GLN 8 9.566 2.593 -0.644
54 HB2 GLN 8 1HB GLN 8 11.041 2.153 -3.259
55 HB3 GLN 8 2HB GLN 8 9.668 3.253 -3.095
56 HG2 GLN 8 1HG GLN 8 12.108 3.444 -1.317
57 HG3 GLN 8 2HG GLN 8 11.988 4.308 -2.851
58 HE21 GLN 8 2HE2 GLN 8 10.585 4.066 0.409
59 HE22 GLN 8 1HE2 GLN 8 9.754 5.544 0.345
60 H VAL 9 H VAL 9 9.994 -0.551 -1.614
61 HA VAL 9 HA VAL 9 7.490 -0.804 -3.129
62 HB VAL 9 HB VAL 9 9.512 -2.810 -2.079
63 HG11 VAL 9 1HG1 VAL 9 7.483 -4.004 -1.985
64 HG12 VAL 9 2HG1 VAL 9 8.150 -4.423 -3.566
65 HG13 VAL 9 3HG1 VAL 9 6.855 -3.231 -3.444
66 HG21 VAL 9 3HG2 VAL 9 9.586 -3.200 -4.705
67 HG22 VAL 9 1HG2 VAL 9 10.483 -1.867 -3.980
68 HG23 VAL 9 2HG2 VAL 9 8.931 -1.565 -4.762
69 H ASP 10 H ASP 10 8.731 -2.450 -0.238
70 HA ASP 10 HA ASP 10 6.320 -3.275 0.875
71 HB2 ASP 10 1HB ASP 10 8.409 -3.948 1.860
72 HB3 ASP 10 2HB ASP 10 8.843 -2.277 2.225
73 H LYS 11 H LYS 11 7.820 -0.057 1.044
74 HA LYS 11 HA LYS 11 5.848 1.037 2.845
75 HB2 LYS 11 1HB LYS 11 7.921 2.176 0.983
76 HB3 LYS 11 2HB LYS 11 6.674 3.254 1.603
77 HG2 LYS 11 1HG LYS 11 8.465 3.446 3.143
78 HG3 LYS 11 2HG LYS 11 7.315 2.384 3.943
79 HD2 LYS 11 1HD LYS 11 8.630 0.427 2.999
80 HD3 LYS 11 2HD LYS 11 9.850 1.593 2.490
81 HE2 LYS 11 1HE LYS 11 10.604 0.849 4.607
82 HE3 LYS 11 2HE LYS 11 9.834 2.398 4.945
83 HZ1 LYS 11 3HZ LYS 11 8.148 1.423 6.041
84 HZ2 LYS 11 1HZ LYS 11 9.260 0.160 6.252
85 HZ3 LYS 11 2HZ LYS 11 8.100 0.070 5.014
86 H LEU 12 H LEU 12 6.255 1.063 -0.688
87 HA LEU 12 HA LEU 12 3.868 2.424 -1.353
88 HB2 LEU 12 1HB LEU 12 5.700 0.507 -2.658
89 HB3 LEU 12 2HB LEU 12 4.162 0.730 -3.435
90 HG LEU 12 HG LEU 12 6.264 2.220 -4.081
91 HD11 LEU 12 1HD1 LEU 12 4.106 2.455 -5.141
92 HD12 LEU 12 2HD1 LEU 12 4.692 4.063 -4.715
93 HD13 LEU 12 3HD1 LEU 12 3.453 3.287 -3.729
94 HD21 LEU 12 3HD2 LEU 12 5.112 4.199 -2.140
95 HD22 LEU 12 1HD2 LEU 12 6.719 4.120 -2.855
96 HD23 LEU 12 2HD2 LEU 12 6.296 3.049 -1.535
97 H ILE 13 H ILE 13 4.481 -1.093 -1.187
98 HA ILE 13 HA ILE 13 1.872 -2.041 -1.478
99 HB ILE 13 HB ILE 13 4.047 -2.975 0.412
100 HG12 ILE 13 1HG1 ILE 13 3.393 -3.483 -2.495
101 HG13 ILE 13 2HG1 ILE 13 4.908 -2.944 -1.802
102 HG21 ILE 13 1HG2 ILE 13 2.938 -5.115 0.458
103 HG22 ILE 13 2HG2 ILE 13 1.744 -4.583 -0.725
104 HG23 ILE 13 3HG2 ILE 13 1.742 -3.905 0.901
105 HD11 ILE 13 3HD1 ILE 13 3.686 -5.687 -1.653
106 HD12 ILE 13 1HD1 ILE 13 5.003 -5.181 -0.597
107 HD13 ILE 13 2HD1 ILE 13 5.242 -5.224 -2.343
108 H GLN 14 H GLN 14 3.470 -1.279 1.608
109 HA GLN 14 HA GLN 14 1.267 -1.443 3.314
110 HB2 GLN 14 1HB GLN 14 3.809 0.081 3.296
111 HB3 GLN 14 2HB GLN 14 2.624 0.577 4.479
112 HG2 GLN 14 1HG GLN 14 2.554 -1.660 5.423
113 HG3 GLN 14 2HG GLN 14 3.585 -2.278 4.131
114 HE21 GLN 14 2HE2 GLN 14 4.987 -2.926 6.099
115 HE22 GLN 14 1HE2 GLN 14 6.078 -1.767 6.690
116 H GLN 15 H GLN 15 2.143 1.104 1.058
117 HA GLN 15 HA GLN 15 0.017 2.880 2.005
118 HB2 GLN 15 1HB GLN 15 2.183 2.997 -0.017
119 HB3 GLN 15 2HB GLN 15 0.862 4.127 -0.180
120 HG2 GLN 15 1HG GLN 15 2.371 3.756 2.411
121 HG3 GLN 15 2HG GLN 15 2.888 4.914 1.183
122 HE21 GLN 15 2HE2 GLN 15 2.360 6.562 2.963
123 HE22 GLN 15 1HE2 GLN 15 0.751 7.083 3.110
124 H ALA 16 H ALA 16 0.810 1.602 -1.217
125 HA ALA 16 HA ALA 16 -1.664 1.996 -2.440
126 HB1 ALA 16 3HB ALA 16 0.440 1.134 -3.543
127 HB2 ALA 16 1HB ALA 16 -1.032 0.295 -4.032
128 HB3 ALA 16 2HB ALA 16 0.066 -0.453 -2.871
129 H THR 17 H THR 17 -1.058 0.010 0.236
130 HA THR 17 HA THR 17 -3.087 -2.001 -0.349
131 HB THR 17 HB THR 17 -2.845 -2.231 2.309
132 HG1 THR 17 HG1 THR 17 -1.484 -0.155 1.991
133 HG21 THR 17 3HG2 THR 17 -0.888 -3.018 0.157
134 HG22 THR 17 1HG2 THR 17 -2.061 -4.023 1.010
135 HG23 THR 17 2HG2 THR 17 -0.606 -3.469 1.838
136 H SER 18 H SER 18 -2.924 0.947 1.635
137 HA SER 18 HA SER 18 -5.470 0.906 2.727
138 HB2 SER 18 1HB SER 18 -3.579 3.048 1.953
139 HB3 SER 18 2HB SER 18 -5.230 3.530 2.311
140 HG SER 18 HG SER 18 -4.668 1.892 4.197
141 H ILE 19 H ILE 19 -4.498 1.568 -0.600
142 HA ILE 19 HA ILE 19 -6.669 2.917 -1.647
143 HB ILE 19 HB ILE 19 -5.127 0.564 -2.732
144 HG12 ILE 19 1HG1 ILE 19 -5.017 3.525 -3.376
145 HG13 ILE 19 2HG1 ILE 19 -3.960 2.748 -2.196
146 HG21 ILE 19 1HG2 ILE 19 -5.993 1.433 -4.943
147 HG22 ILE 19 2HG2 ILE 19 -7.167 2.364 -4.016
148 HG23 ILE 19 3HG2 ILE 19 -7.173 0.604 -3.933
149 HD11 ILE 19 3HD1 ILE 19 -3.217 1.174 -3.985
150 HD12 ILE 19 1HD1 ILE 19 -2.803 2.854 -4.321
151 HD13 ILE 19 2HD1 ILE 19 -4.172 2.102 -5.138
152 H GLU 20 H GLU 20 -6.461 -0.199 -0.262
153 HA GLU 20 HA GLU 20 -9.026 -1.230 -1.228
154 HB2 GLU 20 1HB GLU 20 -7.133 -2.111 0.968
155 HB3 GLU 20 2HB GLU 20 -8.652 -2.939 0.622
156 HG2 GLU 20 1HG GLU 20 -7.931 -3.396 -1.662
157 HG3 GLU 20 2HG GLU 20 -6.450 -2.471 -1.410
158 H ARG 21 H ARG 21 -7.711 0.264 1.664
159 HA ARG 21 HA ARG 21 -10.120 0.295 3.218
160 HB2 ARG 21 1HB ARG 21 -7.508 1.838 3.263
161 HB3 ARG 21 2HB ARG 21 -8.816 2.250 4.372
162 HG2 ARG 21 1HG ARG 21 -8.441 -0.625 4.471
163 HG3 ARG 21 2HG ARG 21 -6.865 0.136 4.630
164 HD2 ARG 21 1HD ARG 21 -9.275 0.932 6.285
165 HD3 ARG 21 2HD ARG 21 -8.060 -0.231 6.816
166 HE ARG 21 HE ARG 21 -6.869 2.285 5.976
167 HH11 ARG 21 1HH2 ARG 21 -8.493 0.580 8.494
168 HH12 ARG 21 2HH2 ARG 21 -7.819 1.545 9.764
169 HH21 ARG 21 1HH1 ARG 21 -5.979 3.555 7.622
170 HH22 ARG 21 2HH1 ARG 21 -6.396 3.228 9.271
171 H LEU 22 H LEU 22 -8.736 2.447 0.788
172 HA LEU 22 HA LEU 22 -10.470 4.651 1.188
173 HB2 LEU 22 1HB LEU 22 -8.551 3.700 -0.810
174 HB3 LEU 22 2HB LEU 22 -9.647 4.923 -1.352
175 HG LEU 22 HG LEU 22 -8.955 6.334 0.454
176 HD11 LEU 22 1HD1 LEU 22 -8.427 4.895 2.211
177 HD12 LEU 22 2HD1 LEU 22 -6.901 5.653 1.766
178 HD13 LEU 22 3HD1 LEU 22 -7.266 4.023 1.221
179 HD21 LEU 22 3HD2 LEU 22 -6.679 5.196 -1.131
180 HD22 LEU 22 1HD2 LEU 22 -6.615 6.736 -0.275
181 HD23 LEU 22 2HD2 LEU 22 -7.734 6.520 -1.619
182 H CYS 23 H CYS 23 -10.330 2.535 -1.633
183 HA CYS 23 HA CYS 23 -12.793 3.173 -2.776
184 HB2 CYS 23 1HB CYS 23 -12.789 0.895 -3.784
185 HB3 CYS 23 2HB CYS 23 -11.235 1.704 -3.924
186 H GLN 24 H GLN 24 -12.345 0.304 -0.656
187 HA GLN 24 HA GLN 24 -15.022 -0.401 -0.363
188 HB2 GLN 24 1HB GLN 24 -12.839 -0.427 1.740
189 HB3 GLN 24 2HB GLN 24 -14.382 -1.265 1.901
190 HG2 GLN 24 1HG GLN 24 -13.867 -2.488 -0.233
191 HG3 GLN 24 2HG GLN 24 -12.265 -1.751 -0.211
192 HE21 GLN 24 2HE2 GLN 24 -11.106 -3.739 0.184
193 HE22 GLN 24 1HE2 GLN 24 -11.244 -4.592 1.645
194 H HIS 25 H HIS 25 -13.330 2.315 1.085
195 HA HIS 25 HA HIS 25 -15.679 2.976 2.774
196 HB2 HIS 25 1HB HIS 25 -13.299 3.136 3.629
197 HB3 HIS 25 2HB HIS 25 -13.074 4.493 2.525
198 HD1 HIS 25 HD1 HIS 25 -14.835 6.541 2.871
199 HD2 HIS 25 HD2 HIS 25 -14.510 3.835 6.030
200 HE1 HIS 25 HE1 HIS 25 -15.839 7.681 4.900
201 HE2 HIS 25 HE2 HIS 25 -15.646 6.043 6.828
202 H TYR 26 H TYR 26 -13.555 4.975 0.692
203 HA TYR 26 HA TYR 26 -15.581 6.952 0.265
204 HB2 TYR 26 1HB TYR 26 -13.042 6.356 -1.261
205 HB3 TYR 26 2HB TYR 26 -14.011 7.804 -1.477
206 HD1 TYR 26 HD1 TYR 26 -14.652 8.989 0.909
207 HD2 TYR 26 HD2 TYR 26 -11.218 6.532 0.157
208 HE1 TYR 26 HE1 TYR 26 -13.493 10.010 2.850
209 HE2 TYR 26 HE2 TYR 26 -10.054 7.538 2.101
210 HH TYR 26 HH TYR 26 -10.129 9.520 3.452
211 H ILE 27 H ILE 27 -14.094 4.845 -2.235
212 HA ILE 27 HA ILE 27 -16.589 5.141 -3.830
213 HB ILE 27 HB ILE 27 -13.954 3.921 -4.673
214 HG12 ILE 27 1HG1 ILE 27 -13.968 6.351 -5.854
215 HG13 ILE 27 2HG1 ILE 27 -14.864 6.782 -4.414
216 HG21 ILE 27 1HG2 ILE 27 -14.829 4.424 -6.929
217 HG22 ILE 27 2HG2 ILE 27 -16.310 5.057 -6.213
218 HG23 ILE 27 3HG2 ILE 27 -15.913 3.347 -6.050
219 HD11 ILE 27 3HD1 ILE 27 -12.009 6.070 -4.748
220 HD12 ILE 27 1HD1 ILE 27 -12.783 5.389 -3.324
221 HD13 ILE 27 2HD1 ILE 27 -12.776 7.128 -3.567
222 H GLY 28 H GLY 28 -14.356 2.369 -3.864
223 HA2 GLY 28 1HA GLY 28 -15.322 0.309 -2.561
224 HA3 GLY 28 2HA GLY 28 -16.734 0.579 -3.580
225 H TRP 29 H TRP 29 -14.274 1.516 -5.501
226 HA TRP 29 HA TRP 29 -14.271 -1.057 -6.940
227 HB2 TRP 29 1HB TRP 29 -14.438 1.378 -7.951
228 HB3 TRP 29 2HB TRP 29 -12.681 1.363 -7.802
229 HD1 TRP 29 HD1 TRP 29 -12.069 -1.620 -8.624
230 HE1 TRP 29 HE1 TRP 29 -12.494 -2.390 -11.055
231 HE3 TRP 29 HE3 TRP 29 -15.382 1.942 -10.095
232 HZ2 TRP 29 HZ2 TRP 29 -14.035 -1.593 -13.309
233 HZ3 TRP 29 HZ3 TRP 29 -16.316 1.927 -12.366
234 HH2 TRP 29 HH2 TRP 29 -15.657 0.167 -13.997
235 H CYS 30 H CYS 30 -12.759 -2.555 -6.494
236 HA CYS 30 HA CYS 30 -9.951 -1.827 -6.235
237 HB2 CYS 30 1HB CYS 30 -11.592 -2.550 -3.857
238 HB3 CYS 30 2HB CYS 30 -9.985 -3.272 -3.956
239 HA PRO 31 HA PRO 31 -10.511 -5.692 -8.666
240 HB2 PRO 31 1HB PRO 31 -7.520 -5.396 -8.462
241 HB3 PRO 31 2HB PRO 31 -8.504 -5.906 -9.847
242 HG2 PRO 31 1HG PRO 31 -7.591 -3.439 -9.720
243 HG3 PRO 31 2HG PRO 31 -9.251 -3.747 -10.269
244 HD2 PRO 31 1HD PRO 31 -8.310 -2.638 -7.653
245 HD3 PRO 31 2HD PRO 31 -9.804 -2.287 -8.550
246 H PHE 32 H PHE 32 -7.433 -6.252 -6.948
247 HA PHE 32 HA PHE 32 -8.483 -7.719 -4.738
248 HB2 PHE 32 1HB PHE 32 -9.367 -9.290 -6.374
249 HB3 PHE 32 2HB PHE 32 -7.824 -9.340 -7.220
250 HD1 PHE 32 HD1 PHE 32 -9.191 -9.834 -3.755
251 HD2 PHE 32 HD2 PHE 32 -6.412 -11.151 -6.759
252 HE1 PHE 32 HE1 PHE 32 -8.475 -11.694 -2.280
253 HE2 PHE 32 HE2 PHE 32 -5.697 -13.008 -5.282
254 HZ PHE 32 HZ PHE 32 -6.728 -13.280 -3.043
255 H TRP 33 H TRP 33 -6.569 -6.282 -4.178
256 HA TRP 33 HA TRP 33 -3.930 -6.602 -4.977
257 HB2 TRP 33 1HB TRP 33 -5.228 -5.913 -2.393
258 HB3 TRP 33 2HB TRP 33 -3.513 -6.256 -2.346
259 HD1 TRP 33 HD1 TRP 33 -1.963 -4.403 -3.024
260 HE1 TRP 33 HE1 TRP 33 -2.225 -2.060 -4.087
261 HE3 TRP 33 HE3 TRP 33 -6.905 -4.543 -4.231
262 HZ2 TRP 33 HZ2 TRP 33 -4.261 -0.476 -5.279
263 HZ3 TRP 33 HZ3 TRP 33 -7.981 -2.619 -5.335
264 HH2 TRP 33 HH2 TRP 33 -6.674 -0.586 -5.871
Start of MODEL 4
1 H1 ASN 1 1H ASN 1 13.814 -17.595 0.058
2 H2 ASN 1 2H ASN 1 13.625 -17.217 1.703
3 H3 ASN 1 3H ASN 1 15.068 -17.925 1.150
4 HA ASN 1 HA ASN 1 15.393 -15.570 1.549
5 HB2 ASN 1 1HB ASN 1 16.673 -16.619 -0.262
6 HB3 ASN 1 2HB ASN 1 15.335 -16.355 -1.382
7 HD21 ASN 1 2HD2 ASN 1 15.468 -13.736 0.748
8 HD22 ASN 1 1HD2 ASN 1 16.375 -12.672 -0.213
9 H GLU 2 H GLU 2 13.744 -14.174 2.173
10 HA GLU 2 HA GLU 2 11.464 -13.652 0.433
11 HB2 GLU 2 1HB GLU 2 11.759 -13.431 3.099
12 HB3 GLU 2 2HB GLU 2 12.169 -11.772 2.673
13 HG2 GLU 2 1HG GLU 2 9.818 -11.753 3.026
14 HG3 GLU 2 2HG GLU 2 10.011 -11.769 1.273
15 H LEU 3 H LEU 3 11.734 -12.470 -1.394
16 HA LEU 3 HA LEU 3 13.971 -10.688 -1.795
17 HB2 LEU 3 1HB LEU 3 11.415 -11.226 -3.309
18 HB3 LEU 3 2HB LEU 3 12.529 -9.960 -3.823
19 HG LEU 3 HG LEU 3 14.348 -11.601 -3.997
20 HD11 LEU 3 1HD1 LEU 3 13.866 -13.207 -2.324
21 HD12 LEU 3 2HD1 LEU 3 13.608 -14.075 -3.837
22 HD13 LEU 3 3HD1 LEU 3 12.227 -13.467 -2.925
23 HD21 LEU 3 3HD2 LEU 3 13.437 -12.916 -5.893
24 HD22 LEU 3 1HD2 LEU 3 12.912 -11.233 -5.963
25 HD23 LEU 3 2HD2 LEU 3 11.802 -12.481 -5.395
26 H ASP 4 H ASP 4 11.709 -10.283 0.355
27 HA ASP 4 HA ASP 4 10.564 -7.709 -0.270
28 HB2 ASP 4 1HB ASP 4 9.914 -7.683 2.117
29 HB3 ASP 4 2HB ASP 4 9.534 -9.235 1.372
30 H VAL 5 H VAL 5 13.408 -7.700 -0.681
31 HA VAL 5 HA VAL 5 14.628 -6.303 1.556
32 HB VAL 5 HB VAL 5 15.732 -6.342 -1.251
33 HG11 VAL 5 1HG1 VAL 5 17.874 -6.391 -0.021
34 HG12 VAL 5 2HG1 VAL 5 16.991 -6.398 1.506
35 HG13 VAL 5 3HG1 VAL 5 16.904 -4.993 0.442
36 HG21 VAL 5 3HG2 VAL 5 15.690 -8.555 0.816
37 HG22 VAL 5 1HG2 VAL 5 16.845 -8.509 -0.516
38 HG23 VAL 5 2HG2 VAL 5 15.118 -8.634 -0.850
39 HA PRO 6 HA PRO 6 13.831 -2.684 -1.830
40 HB2 PRO 6 1HB PRO 6 10.991 -3.643 -2.099
41 HB3 PRO 6 2HB PRO 6 11.985 -2.728 -3.260
42 HG2 PRO 6 1HG PRO 6 11.657 -5.265 -3.652
43 HG3 PRO 6 2HG PRO 6 13.305 -4.603 -3.748
44 HD2 PRO 6 1HD PRO 6 12.012 -6.103 -1.490
45 HD3 PRO 6 2HD PRO 6 13.641 -6.308 -2.173
46 H GLU 7 H GLU 7 13.755 -0.953 -0.460
47 HA GLU 7 HA GLU 7 11.983 -1.042 1.889
48 HB2 GLU 7 1HB GLU 7 14.315 -0.472 2.268
49 HB3 GLU 7 2HB GLU 7 14.196 0.869 1.129
50 HG2 GLU 7 1HG GLU 7 12.728 2.087 2.550
51 HG3 GLU 7 2HG GLU 7 12.402 0.672 3.552
52 H GLN 8 H GLN 8 12.879 1.759 -0.206
53 HA GLN 8 HA GLN 8 10.611 3.271 0.379
54 HB2 GLN 8 1HB GLN 8 10.837 4.160 -2.060
55 HB3 GLN 8 2HB GLN 8 12.162 4.439 -0.923
56 HG2 GLN 8 1HG GLN 8 13.376 2.552 -1.746
57 HG3 GLN 8 2HG GLN 8 12.019 2.044 -2.740
58 HE21 GLN 8 2HE2 GLN 8 11.341 4.742 -3.702
59 HE22 GLN 8 1HE2 GLN 8 12.581 5.214 -4.759
60 H VAL 9 H VAL 9 10.902 0.444 -1.346
61 HA VAL 9 HA VAL 9 8.457 0.567 -2.883
62 HB VAL 9 HB VAL 9 10.442 -1.513 -2.042
63 HG11 VAL 9 1HG1 VAL 9 7.719 -2.078 -3.245
64 HG12 VAL 9 2HG1 VAL 9 8.427 -2.790 -1.795
65 HG13 VAL 9 3HG1 VAL 9 9.066 -3.206 -3.384
66 HG21 VAL 9 3HG2 VAL 9 11.134 -0.432 -4.005
67 HG22 VAL 9 1HG2 VAL 9 9.502 -0.352 -4.665
68 HG23 VAL 9 2HG2 VAL 9 10.360 -1.888 -4.627
69 H ASP 10 H ASP 10 9.371 -1.395 -0.043
70 HA ASP 10 HA ASP 10 6.834 -2.211 0.777
71 HB2 ASP 10 1HB ASP 10 8.838 -2.979 1.942
72 HB3 ASP 10 2HB ASP 10 9.176 -1.343 2.508
73 H LYS 11 H LYS 11 8.514 0.812 1.619
74 HA LYS 11 HA LYS 11 6.454 1.990 3.178
75 HB2 LYS 11 1HB LYS 11 8.433 3.295 1.282
76 HB3 LYS 11 2HB LYS 11 7.416 4.178 2.420
77 HG2 LYS 11 1HG LYS 11 8.517 2.411 4.153
78 HG3 LYS 11 2HG LYS 11 9.804 2.443 2.951
79 HD2 LYS 11 1HD LYS 11 9.958 4.882 3.147
80 HD3 LYS 11 2HD LYS 11 8.614 4.886 4.291
81 HE2 LYS 11 1HE LYS 11 10.994 4.961 5.282
82 HE3 LYS 11 2HE LYS 11 9.877 3.776 5.958
83 HZ1 LYS 11 3HZ LYS 11 10.854 2.063 4.678
84 HZ2 LYS 11 1HZ LYS 11 12.132 2.906 5.406
85 HZ3 LYS 11 2HZ LYS 11 11.774 3.161 3.764
86 H LEU 12 H LEU 12 7.077 2.226 -0.325
87 HA LEU 12 HA LEU 12 4.763 3.708 -1.009
88 HB2 LEU 12 1HB LEU 12 6.703 1.935 -2.366
89 HB3 LEU 12 2HB LEU 12 5.233 2.256 -3.245
90 HG LEU 12 HG LEU 12 7.355 3.785 -3.564
91 HD11 LEU 12 1HD1 LEU 12 5.879 5.701 -4.091
92 HD12 LEU 12 2HD1 LEU 12 4.576 4.930 -3.185
93 HD13 LEU 12 3HD1 LEU 12 5.200 4.172 -4.650
94 HD21 LEU 12 3HD2 LEU 12 6.145 5.523 -1.442
95 HD22 LEU 12 1HD2 LEU 12 7.793 5.479 -2.070
96 HD23 LEU 12 2HD2 LEU 12 7.256 4.263 -0.933
97 H ILE 13 H ILE 13 5.324 0.180 -1.224
98 HA ILE 13 HA ILE 13 2.689 -0.604 -1.824
99 HB ILE 13 HB ILE 13 4.698 -1.954 -0.011
100 HG12 ILE 13 1HG1 ILE 13 4.293 -1.881 -3.000
101 HG13 ILE 13 2HG1 ILE 13 5.758 -1.571 -2.097
102 HG21 ILE 13 1HG2 ILE 13 3.527 -3.994 -0.413
103 HG22 ILE 13 2HG2 ILE 13 2.493 -3.240 -1.628
104 HG23 ILE 13 3HG2 ILE 13 2.307 -2.824 0.074
105 HD11 ILE 13 3HD1 ILE 13 4.420 -4.214 -2.588
106 HD12 ILE 13 1HD1 ILE 13 5.631 -3.996 -1.327
107 HD13 ILE 13 2HD1 ILE 13 6.060 -3.724 -3.015
108 H GLN 14 H GLN 14 4.219 -0.390 1.371
109 HA GLN 14 HA GLN 14 2.033 -0.789 3.034
110 HB2 GLN 14 1HB GLN 14 4.397 1.025 3.272
111 HB3 GLN 14 2HB GLN 14 3.283 0.807 4.588
112 HG2 GLN 14 1HG GLN 14 4.530 -1.588 3.250
113 HG3 GLN 14 2HG GLN 14 5.418 -0.701 4.488
114 HE21 GLN 14 2HE2 GLN 14 5.032 -3.093 5.422
115 HE22 GLN 14 1HE2 GLN 14 3.671 -3.247 6.425
116 H GLN 15 H GLN 15 3.066 2.186 1.420
117 HA GLN 15 HA GLN 15 1.039 3.859 2.563
118 HB2 GLN 15 1HB GLN 15 2.959 4.010 0.317
119 HB3 GLN 15 2HB GLN 15 1.638 5.148 0.265
120 HG2 GLN 15 1HG GLN 15 2.236 5.907 2.553
121 HG3 GLN 15 2HG GLN 15 3.591 4.777 2.555
122 HE21 GLN 15 2HE2 GLN 15 5.252 5.129 0.751
123 HE22 GLN 15 1HE2 GLN 15 5.523 6.717 0.218
124 H ALA 16 H ALA 16 0.898 1.338 0.333
125 HA ALA 16 HA ALA 16 -1.307 2.350 -1.279
126 HB1 ALA 16 3HB ALA 16 0.398 0.499 -1.888
127 HB2 ALA 16 1HB ALA 16 -1.289 0.232 -2.327
128 HB3 ALA 16 2HB ALA 16 -0.612 -0.564 -0.907
129 H THR 17 H THR 17 -1.032 1.227 1.894
130 HA THR 17 HA THR 17 -3.362 -0.313 2.304
131 HB THR 17 HB THR 17 -3.389 0.854 4.600
132 HG1 THR 17 HG1 THR 17 -1.505 2.098 4.981
133 HG21 THR 17 3HG2 THR 17 -0.936 -0.521 3.492
134 HG22 THR 17 1HG2 THR 17 -2.267 -1.246 4.394
135 HG23 THR 17 2HG2 THR 17 -1.134 -0.166 5.207
136 H SER 18 H SER 18 -2.936 3.115 1.773
137 HA SER 18 HA SER 18 -5.563 3.980 2.451
138 HB2 SER 18 1HB SER 18 -3.292 5.053 0.888
139 HB3 SER 18 2HB SER 18 -4.863 5.783 0.605
140 HG SER 18 HG SER 18 -3.297 5.681 2.937
141 H ILE 19 H ILE 19 -4.206 3.764 -0.836
142 HA ILE 19 HA ILE 19 -6.486 3.827 -2.344
143 HB ILE 19 HB ILE 19 -4.042 2.081 -2.705
144 HG12 ILE 19 1HG1 ILE 19 -4.780 4.770 -3.898
145 HG13 ILE 19 2HG1 ILE 19 -3.765 4.591 -2.466
146 HG21 ILE 19 1HG2 ILE 19 -6.276 2.873 -4.565
147 HG22 ILE 19 2HG2 ILE 19 -5.768 1.246 -4.120
148 HG23 ILE 19 3HG2 ILE 19 -4.728 2.250 -5.124
149 HD11 ILE 19 3HD1 ILE 19 -2.352 4.792 -4.439
150 HD12 ILE 19 1HD1 ILE 19 -3.210 3.463 -5.215
151 HD13 ILE 19 2HD1 ILE 19 -2.223 3.158 -3.788
152 H GLU 20 H GLU 20 -5.294 1.236 -0.346
153 HA GLU 20 HA GLU 20 -7.150 -0.784 -1.352
154 HB2 GLU 20 1HB GLU 20 -5.313 -0.601 1.039
155 HB3 GLU 20 2HB GLU 20 -6.473 -1.920 0.895
156 HG2 GLU 20 1HG GLU 20 -5.503 -2.648 -1.183
157 HG3 GLU 20 2HG GLU 20 -4.479 -1.214 -1.271
158 H ARG 21 H ARG 21 -6.934 1.317 1.503
159 HA ARG 21 HA ARG 21 -9.411 0.538 2.686
160 HB2 ARG 21 1HB ARG 21 -7.565 2.901 2.874
161 HB3 ARG 21 2HB ARG 21 -9.181 3.064 3.570
162 HG2 ARG 21 1HG ARG 21 -7.381 0.713 4.203
163 HG3 ARG 21 2HG ARG 21 -7.326 2.209 5.131
164 HD2 ARG 21 1HD ARG 21 -10.090 1.301 4.821
165 HD3 ARG 21 2HD ARG 21 -9.090 0.054 5.565
166 HE ARG 21 HE ARG 21 -9.772 2.645 6.749
167 HH11 ARG 21 1HH2 ARG 21 -7.637 -0.062 6.640
168 HH12 ARG 21 2HH2 ARG 21 -7.076 0.147 8.266
169 HH21 ARG 21 1HH1 ARG 21 -9.047 2.934 8.871
170 HH22 ARG 21 2HH1 ARG 21 -7.874 1.843 9.528
171 H LEU 22 H LEU 22 -8.552 2.938 0.240
172 HA LEU 22 HA LEU 22 -11.042 4.222 -0.027
173 HB2 LEU 22 1HB LEU 22 -8.627 3.824 -1.655
174 HB3 LEU 22 2HB LEU 22 -10.022 4.407 -2.505
175 HG LEU 22 HG LEU 22 -10.175 6.191 -0.808
176 HD11 LEU 22 1HD1 LEU 22 -7.441 5.278 -0.051
177 HD12 LEU 22 2HD1 LEU 22 -8.883 5.053 0.933
178 HD13 LEU 22 3HD1 LEU 22 -8.290 6.675 0.600
179 HD21 LEU 22 3HD2 LEU 22 -7.641 6.028 -2.407
180 HD22 LEU 22 1HD2 LEU 22 -8.313 7.517 -1.746
181 HD23 LEU 22 2HD2 LEU 22 -9.197 6.624 -2.984
182 H CYS 23 H CYS 23 -9.611 1.847 -2.187
183 HA CYS 23 HA CYS 23 -11.935 1.214 -3.646
184 HB2 CYS 23 1HB CYS 23 -10.752 -0.662 -4.486
185 HB3 CYS 23 2HB CYS 23 -9.504 0.527 -4.109
186 H GLN 24 H GLN 24 -11.002 0.215 -0.434
187 HA GLN 24 HA GLN 24 -13.040 -1.950 -0.395
188 HB2 GLN 24 1HB GLN 24 -10.917 -1.046 1.558
189 HB3 GLN 24 2HB GLN 24 -12.150 -2.229 1.994
190 HG2 GLN 24 1HG GLN 24 -11.436 -3.587 -0.017
191 HG3 GLN 24 2HG GLN 24 -10.086 -2.471 -0.209
192 HE21 GLN 24 2HE2 GLN 24 -9.013 -2.072 2.204
193 HE22 GLN 24 1HE2 GLN 24 -8.623 -3.522 2.996
194 H HIS 25 H HIS 25 -12.520 1.304 0.862
195 HA HIS 25 HA HIS 25 -14.883 1.088 2.629
196 HB2 HIS 25 1HB HIS 25 -12.740 2.325 3.237
197 HB3 HIS 25 2HB HIS 25 -13.222 3.550 2.062
198 HD1 HIS 25 HD1 HIS 25 -14.105 2.156 5.424
199 HD2 HIS 25 HD2 HIS 25 -15.519 5.084 2.813
200 HE1 HIS 25 HE1 HIS 25 -15.758 3.555 6.742
201 HE2 HIS 25 HE2 HIS 25 -16.625 5.340 5.161
202 H TYR 26 H TYR 26 -13.955 3.660 0.310
203 HA TYR 26 HA TYR 26 -16.666 4.490 -0.065
204 HB2 TYR 26 1HB TYR 26 -14.333 4.960 -1.936
205 HB3 TYR 26 2HB TYR 26 -15.791 5.932 -1.791
206 HD1 TYR 26 HD2 TYR 26 -16.308 6.637 0.795
207 HD2 TYR 26 HD1 TYR 26 -12.437 5.830 -0.877
208 HE1 TYR 26 HE2 TYR 26 -15.250 7.986 2.588
209 HE2 TYR 26 HE1 TYR 26 -11.379 7.174 0.912
210 HH TYR 26 HH TYR 26 -13.284 9.094 3.137
211 H ILE 27 H ILE 27 -14.522 2.505 -2.129
212 HA ILE 27 HA ILE 27 -16.722 2.033 -4.029
213 HB ILE 27 HB ILE 27 -14.111 0.555 -4.041
214 HG12 ILE 27 1HG1 ILE 27 -13.479 2.867 -3.623
215 HG13 ILE 27 2HG1 ILE 27 -13.110 2.442 -5.295
216 HG21 ILE 27 1HG2 ILE 27 -14.406 0.747 -6.484
217 HG22 ILE 27 2HG2 ILE 27 -15.914 1.620 -6.208
218 HG23 ILE 27 3HG2 ILE 27 -15.767 -0.066 -5.711
219 HD11 ILE 27 3HD1 ILE 27 -14.166 4.586 -5.289
220 HD12 ILE 27 1HD1 ILE 27 -15.473 3.996 -4.272
221 HD13 ILE 27 2HD1 ILE 27 -15.325 3.428 -5.929
222 H GLY 28 H GLY 28 -14.539 -0.317 -2.457
223 HA2 GLY 28 1HA GLY 28 -15.309 -2.077 -0.947
224 HA3 GLY 28 2HA GLY 28 -16.921 -1.939 -1.649
225 H TRP 29 H TRP 29 -13.767 -2.179 -3.300
226 HA TRP 29 HA TRP 29 -14.105 -4.945 -4.053
227 HB2 TRP 29 1HB TRP 29 -15.728 -3.185 -5.486
228 HB3 TRP 29 2HB TRP 29 -14.340 -3.368 -6.552
229 HD1 TRP 29 HD1 TRP 29 -16.501 -5.837 -4.434
230 HE1 TRP 29 HE1 TRP 29 -16.979 -7.886 -5.940
231 HE3 TRP 29 HE3 TRP 29 -14.003 -4.430 -8.613
232 HZ2 TRP 29 HZ2 TRP 29 -16.372 -8.791 -8.572
233 HZ3 TRP 29 HZ3 TRP 29 -13.955 -5.870 -10.606
234 HH2 TRP 29 HH2 TRP 29 -15.134 -8.062 -10.610
235 H CYS 30 H CYS 30 -11.998 -5.584 -4.243
236 HA CYS 30 HA CYS 30 -10.115 -3.910 -5.810
237 HB2 CYS 30 1HB CYS 30 -9.131 -4.882 -3.140
238 HB3 CYS 30 2HB CYS 30 -8.601 -3.499 -4.094
239 HA PRO 31 HA PRO 31 -9.490 -8.481 -6.305
240 HB2 PRO 31 1HB PRO 31 -10.170 -8.740 -8.901
241 HB3 PRO 31 2HB PRO 31 -11.406 -8.635 -7.630
242 HG2 PRO 31 1HG PRO 31 -10.444 -6.521 -9.509
243 HG3 PRO 31 2HG PRO 31 -12.094 -6.878 -8.967
244 HD2 PRO 31 1HD PRO 31 -10.485 -4.863 -7.895
245 HD3 PRO 31 2HD PRO 31 -11.869 -5.596 -7.053
246 H PHE 32 H PHE 32 -7.604 -6.123 -6.579
247 HA PHE 32 HA PHE 32 -5.742 -7.349 -8.586
248 HB2 PHE 32 1HB PHE 32 -6.688 -4.542 -8.319
249 HB3 PHE 32 2HB PHE 32 -4.943 -4.702 -8.507
250 HD1 PHE 32 HD2 PHE 32 -8.061 -6.237 -9.956
251 HD2 PHE 32 HD1 PHE 32 -4.140 -4.647 -10.703
252 HE1 PHE 32 HE2 PHE 32 -8.367 -6.623 -12.385
253 HE2 PHE 32 HE1 PHE 32 -4.448 -5.034 -13.132
254 HZ PHE 32 HZ PHE 32 -6.561 -6.021 -13.974
255 H TRP 33 H TRP 33 -6.200 -7.373 -5.524
256 HA TRP 33 HA TRP 33 -3.406 -6.623 -4.730
257 HB2 TRP 33 1HB TRP 33 -6.022 -6.518 -3.317
258 HB3 TRP 33 2HB TRP 33 -4.615 -6.897 -2.352
259 HD1 TRP 33 HD1 TRP 33 -3.128 -4.980 -1.662
260 HE1 TRP 33 HE1 TRP 33 -3.039 -2.444 -2.155
261 HE3 TRP 33 HE3 TRP 33 -6.599 -4.694 -5.378
262 HZ2 TRP 33 HZ2 TRP 33 -4.277 -0.555 -3.883
263 HZ3 TRP 33 HZ3 TRP 33 -7.132 -2.518 -6.435
264 HH2 TRP 33 HH2 TRP 33 -5.977 -0.451 -5.700
Start of MODEL 5
1 H1 ASN 1 1H ASN 1 12.920 -11.430 7.985
2 H2 ASN 1 2H ASN 1 13.093 -11.877 9.614
3 H3 ASN 1 3H ASN 1 12.650 -10.288 9.209
4 HA ASN 1 HA ASN 1 11.037 -12.744 9.157
5 HB2 ASN 1 1HB ASN 1 10.480 -9.871 9.964
6 HB3 ASN 1 2HB ASN 1 9.388 -11.237 10.191
7 HD21 ASN 1 2HD2 ASN 1 12.910 -10.694 10.834
8 HD22 ASN 1 1HD2 ASN 1 12.852 -11.278 12.427
9 H GLU 2 H GLU 2 10.661 -9.371 7.995
10 HA GLU 2 HA GLU 2 8.747 -10.140 5.984
11 HB2 GLU 2 1HB GLU 2 10.393 -7.630 6.029
12 HB3 GLU 2 2HB GLU 2 8.835 -7.862 5.253
13 HG2 GLU 2 1HG GLU 2 9.315 -8.054 8.240
14 HG3 GLU 2 2HG GLU 2 8.640 -6.648 7.420
15 H LEU 3 H LEU 3 9.447 -11.552 4.435
16 HA LEU 3 HA LEU 3 12.135 -11.499 3.364
17 HB2 LEU 3 1HB LEU 3 10.152 -13.369 3.453
18 HB3 LEU 3 2HB LEU 3 9.978 -12.828 1.789
19 HG LEU 3 HG LEU 3 12.609 -13.723 3.021
20 HD11 LEU 3 1HD1 LEU 3 12.264 -15.784 1.715
21 HD12 LEU 3 2HD1 LEU 3 10.666 -15.208 1.241
22 HD13 LEU 3 3HD1 LEU 3 11.009 -15.566 2.933
23 HD21 LEU 3 3HD2 LEU 3 13.037 -12.298 1.151
24 HD22 LEU 3 1HD2 LEU 3 11.708 -12.994 0.222
25 HD23 LEU 3 2HD2 LEU 3 13.165 -13.940 0.524
26 H ASP 4 H ASP 4 10.003 -9.195 3.073
27 HA ASP 4 HA ASP 4 9.931 -8.866 0.148
28 HB2 ASP 4 1HB ASP 4 8.773 -6.731 0.679
29 HB3 ASP 4 2HB ASP 4 8.012 -8.114 1.467
30 H VAL 5 H VAL 5 12.085 -8.554 -0.540
31 HA VAL 5 HA VAL 5 13.873 -6.772 0.832
32 HB VAL 5 HB VAL 5 14.207 -7.490 -2.073
33 HG11 VAL 5 1HG1 VAL 5 16.100 -7.291 0.286
34 HG12 VAL 5 2HG1 VAL 5 15.907 -6.086 -0.987
35 HG13 VAL 5 3HG1 VAL 5 16.571 -7.674 -1.370
36 HG21 VAL 5 3HG2 VAL 5 15.253 -9.648 -1.182
37 HG22 VAL 5 1HG2 VAL 5 13.491 -9.580 -1.158
38 HG23 VAL 5 2HG2 VAL 5 14.402 -9.319 0.328
39 HA PRO 6 HA PRO 6 12.356 -3.897 -2.985
40 HB2 PRO 6 1HB PRO 6 9.515 -4.643 -2.359
41 HB3 PRO 6 2HB PRO 6 10.219 -4.076 -3.892
42 HG2 PRO 6 1HG PRO 6 9.711 -6.606 -3.618
43 HG3 PRO 6 2HG PRO 6 11.303 -6.129 -4.253
44 HD2 PRO 6 1HD PRO 6 10.574 -7.015 -1.478
45 HD3 PRO 6 2HD PRO 6 11.974 -7.487 -2.463
46 H GLU 7 H GLU 7 12.859 -2.049 -1.857
47 HA GLU 7 HA GLU 7 11.397 -1.439 0.629
48 HB2 GLU 7 1HB GLU 7 13.128 0.131 1.150
49 HB3 GLU 7 2HB GLU 7 13.893 -1.349 0.588
50 HG2 GLU 7 1HG GLU 7 15.096 0.176 -0.664
51 HG3 GLU 7 2HG GLU 7 13.762 -0.099 -1.778
52 H GLN 8 H GLN 8 12.260 0.457 -2.366
53 HA GLN 8 HA GLN 8 10.497 2.597 -1.700
54 HB2 GLN 8 1HB GLN 8 11.042 1.591 -4.514
55 HB3 GLN 8 2HB GLN 8 10.457 3.191 -4.064
56 HG2 GLN 8 1HG GLN 8 12.723 3.640 -4.350
57 HG3 GLN 8 2HG GLN 8 12.685 3.274 -2.630
58 HE21 GLN 8 2HE2 GLN 8 12.495 0.904 -5.330
59 HE22 GLN 8 1HE2 GLN 8 13.932 0.099 -4.925
60 H VAL 9 H VAL 9 9.917 -0.580 -2.335
61 HA VAL 9 HA VAL 9 7.233 -0.276 -3.460
62 HB VAL 9 HB VAL 9 9.043 -2.516 -2.611
63 HG11 VAL 9 1HG1 VAL 9 7.003 -3.305 -1.646
64 HG12 VAL 9 2HG1 VAL 9 7.107 -4.105 -3.212
65 HG13 VAL 9 3HG1 VAL 9 6.045 -2.713 -3.003
66 HG21 VAL 9 3HG2 VAL 9 9.336 -1.925 -4.879
67 HG22 VAL 9 1HG2 VAL 9 7.603 -1.752 -5.157
68 HG23 VAL 9 2HG2 VAL 9 8.304 -3.353 -4.938
69 H ASP 10 H ASP 10 8.510 -1.855 -0.530
70 HA ASP 10 HA ASP 10 6.171 -1.969 0.971
71 HB2 ASP 10 1HB ASP 10 8.271 -2.936 1.782
72 HB3 ASP 10 2HB ASP 10 8.970 -1.326 1.958
73 H LYS 11 H LYS 11 8.407 0.795 0.656
74 HA LYS 11 HA LYS 11 6.963 2.521 2.438
75 HB2 LYS 11 1HB LYS 11 8.944 2.921 0.210
76 HB3 LYS 11 2HB LYS 11 8.056 4.328 0.792
77 HG2 LYS 11 1HG LYS 11 10.158 4.123 2.020
78 HG3 LYS 11 2HG LYS 11 8.808 3.808 3.108
79 HD2 LYS 11 1HD LYS 11 9.135 1.392 2.854
80 HD3 LYS 11 2HD LYS 11 10.447 1.677 1.709
81 HE2 LYS 11 1HE LYS 11 11.437 1.247 3.874
82 HE3 LYS 11 2HE LYS 11 11.646 2.960 3.510
83 HZ1 LYS 11 3HZ LYS 11 9.848 1.677 5.442
84 HZ2 LYS 11 1HZ LYS 11 9.379 3.150 4.745
85 HZ3 LYS 11 2HZ LYS 11 10.828 3.052 5.627
86 H LEU 12 H LEU 12 6.846 2.107 -1.098
87 HA LEU 12 HA LEU 12 4.731 3.903 -1.625
88 HB2 LEU 12 1HB LEU 12 5.923 1.513 -2.901
89 HB3 LEU 12 2HB LEU 12 4.371 2.010 -3.518
90 HG LEU 12 HG LEU 12 6.587 2.924 -4.597
91 HD11 LEU 12 1HD1 LEU 12 4.229 4.690 -3.906
92 HD12 LEU 12 2HD1 LEU 12 4.385 3.634 -5.310
93 HD13 LEU 12 3HD1 LEU 12 5.414 5.059 -5.159
94 HD21 LEU 12 3HD2 LEU 12 7.699 4.697 -3.639
95 HD22 LEU 12 1HD2 LEU 12 7.251 3.844 -2.174
96 HD23 LEU 12 2HD2 LEU 12 6.304 5.227 -2.700
97 H ILE 13 H ILE 13 4.603 0.360 -1.159
98 HA ILE 13 HA ILE 13 1.826 0.032 -1.011
99 HB ILE 13 HB ILE 13 3.980 -1.297 0.650
100 HG12 ILE 13 1HG1 ILE 13 2.828 -1.784 -2.099
101 HG13 ILE 13 2HG1 ILE 13 4.505 -1.573 -1.655
102 HG21 ILE 13 1HG2 ILE 13 2.431 -3.102 1.003
103 HG22 ILE 13 2HG2 ILE 13 1.246 -2.376 -0.082
104 HG23 ILE 13 3HG2 ILE 13 1.600 -1.625 1.471
105 HD11 ILE 13 3HD1 ILE 13 4.274 -3.700 -0.281
106 HD12 ILE 13 1HD1 ILE 13 4.258 -3.891 -2.033
107 HD13 ILE 13 2HD1 ILE 13 2.747 -3.949 -1.126
108 H GLN 14 H GLN 14 4.002 0.488 1.777
109 HA GLN 14 HA GLN 14 2.139 0.952 3.777
110 HB2 GLN 14 1HB GLN 14 4.880 1.980 3.243
111 HB3 GLN 14 2HB GLN 14 4.012 2.651 4.592
112 HG2 GLN 14 1HG GLN 14 3.664 0.361 5.490
113 HG3 GLN 14 2HG GLN 14 4.599 -0.287 4.141
114 HE21 GLN 14 2HE2 GLN 14 6.035 -1.080 6.034
115 HE22 GLN 14 1HE2 GLN 14 7.223 -0.011 6.609
116 H GLN 15 H GLN 15 3.305 3.192 1.315
117 HA GLN 15 HA GLN 15 1.762 5.421 2.353
118 HB2 GLN 15 1HB GLN 15 3.510 4.890 0.013
119 HB3 GLN 15 2HB GLN 15 2.435 6.265 -0.096
120 HG2 GLN 15 1HG GLN 15 4.255 5.814 2.274
121 HG3 GLN 15 2HG GLN 15 4.781 6.708 0.847
122 HE21 GLN 15 2HE2 GLN 15 4.074 8.878 0.635
123 HE22 GLN 15 1HE2 GLN 15 3.008 9.632 1.718
124 H ALA 16 H ALA 16 1.271 2.813 0.103
125 HA ALA 16 HA ALA 16 -1.196 4.063 -0.976
126 HB1 ALA 16 3HB ALA 16 -1.128 2.451 -2.676
127 HB2 ALA 16 1HB ALA 16 -0.188 1.319 -1.703
128 HB3 ALA 16 2HB ALA 16 0.578 2.761 -2.367
129 H THR 17 H THR 17 -0.299 2.044 1.582
130 HA THR 17 HA THR 17 -2.272 0.073 1.736
131 HB THR 17 HB THR 17 -2.214 0.662 4.301
132 HG1 THR 17 HG1 THR 17 -1.344 2.814 3.666
133 HG21 THR 17 3HG2 THR 17 0.138 -0.217 2.631
134 HG22 THR 17 1HG2 THR 17 -0.986 -1.221 3.544
135 HG23 THR 17 2HG2 THR 17 0.194 -0.222 4.391
136 H SER 18 H SER 18 -2.556 3.508 2.489
137 HA SER 18 HA SER 18 -5.252 3.441 3.410
138 HB2 SER 18 1HB SER 18 -3.365 5.513 2.466
139 HB3 SER 18 2HB SER 18 -5.070 5.938 2.471
140 HG SER 18 HG SER 18 -3.437 5.960 4.499
141 H ILE 19 H ILE 19 -4.084 4.793 0.328
142 HA ILE 19 HA ILE 19 -6.393 5.060 -1.086
143 HB ILE 19 HB ILE 19 -3.722 3.984 -1.992
144 HG12 ILE 19 1HG1 ILE 19 -4.924 6.749 -2.257
145 HG13 ILE 19 2HG1 ILE 19 -3.916 6.275 -0.887
146 HG21 ILE 19 1HG2 ILE 19 -4.512 4.904 -4.224
147 HG22 ILE 19 2HG2 ILE 19 -6.132 4.932 -3.531
148 HG23 ILE 19 3HG2 ILE 19 -5.270 3.404 -3.697
149 HD11 ILE 19 3HD1 ILE 19 -2.517 7.331 -2.567
150 HD12 ILE 19 1HD1 ILE 19 -3.132 6.237 -3.804
151 HD13 ILE 19 2HD1 ILE 19 -2.130 5.611 -2.496
152 H GLU 20 H GLU 20 -4.793 2.106 -0.187
153 HA GLU 20 HA GLU 20 -6.426 0.398 -1.931
154 HB2 GLU 20 1HB GLU 20 -4.470 -0.108 0.319
155 HB3 GLU 20 2HB GLU 20 -5.484 -1.415 -0.292
156 HG2 GLU 20 1HG GLU 20 -4.570 -1.200 -2.502
157 HG3 GLU 20 2HG GLU 20 -3.741 0.299 -2.078
158 H ARG 21 H ARG 21 -6.159 0.859 1.590
159 HA ARG 21 HA ARG 21 -8.496 -0.488 2.371
160 HB2 ARG 21 1HB ARG 21 -6.886 1.799 3.468
161 HB3 ARG 21 2HB ARG 21 -8.445 1.461 4.220
162 HG2 ARG 21 1HG ARG 21 -6.322 -0.662 3.779
163 HG3 ARG 21 2HG ARG 21 -6.432 0.286 5.260
164 HD2 ARG 21 1HD ARG 21 -7.745 -1.493 5.920
165 HD3 ARG 21 2HD ARG 21 -9.007 -0.576 5.103
166 HE ARG 21 HE ARG 21 -7.931 -2.125 3.082
167 HH11 ARG 21 1HH2 ARG 21 -9.140 -2.677 6.262
168 HH12 ARG 21 2HH2 ARG 21 -9.715 -4.273 5.912
169 HH21 ARG 21 1HH1 ARG 21 -8.675 -4.204 2.603
170 HH22 ARG 21 2HH1 ARG 21 -9.452 -5.137 3.839
171 H LEU 22 H LEU 22 -8.102 2.620 0.798
172 HA LEU 22 HA LEU 22 -10.671 3.636 1.366
173 HB2 LEU 22 1HB LEU 22 -8.431 4.275 -0.403
174 HB3 LEU 22 2HB LEU 22 -9.961 4.913 -0.928
175 HG LEU 22 HG LEU 22 -10.195 5.819 1.391
176 HD11 LEU 22 1HD1 LEU 22 -8.335 4.310 2.259
177 HD12 LEU 22 2HD1 LEU 22 -8.425 5.955 2.862
178 HD13 LEU 22 3HD1 LEU 22 -7.250 5.537 1.617
179 HD21 LEU 22 3HD2 LEU 22 -8.689 7.750 0.937
180 HD22 LEU 22 1HD2 LEU 22 -9.668 7.275 -0.448
181 HD23 LEU 22 2HD2 LEU 22 -7.970 6.804 -0.365
182 H CYS 23 H CYS 23 -9.442 2.562 -1.757
183 HA CYS 23 HA CYS 23 -12.058 2.327 -2.879
184 HB2 CYS 23 1HB CYS 23 -10.788 0.824 -4.607
185 HB3 CYS 23 2HB CYS 23 -10.361 2.527 -4.482
186 H GLN 24 H GLN 24 -9.849 -0.350 -1.883
187 HA GLN 24 HA GLN 24 -11.585 -2.489 -2.301
188 HB2 GLN 24 1HB GLN 24 -9.439 -1.957 -0.273
189 HB3 GLN 24 2HB GLN 24 -10.472 -3.355 -0.003
190 HG2 GLN 24 1HG GLN 24 -8.394 -3.874 -1.313
191 HG3 GLN 24 2HG GLN 24 -9.885 -4.287 -2.159
192 HE21 GLN 24 2HE2 GLN 24 -9.282 -3.927 -4.328
193 HE22 GLN 24 1HE2 GLN 24 -8.703 -2.446 -4.915
194 H HIS 25 H HIS 25 -11.700 -0.104 0.300
195 HA HIS 25 HA HIS 25 -13.984 -1.510 1.558
196 HB2 HIS 25 1HB HIS 25 -12.030 -0.418 2.855
197 HB3 HIS 25 2HB HIS 25 -12.797 1.118 2.461
198 HD1 HIS 25 HD1 HIS 25 -12.644 -0.921 5.226
199 HD2 HIS 25 HD2 HIS 25 -15.910 0.507 3.061
200 HE1 HIS 25 HE1 HIS 25 -14.646 -1.062 6.773
201 HE2 HIS 25 HE2 HIS 25 -16.639 -0.195 5.465
202 H TYR 26 H TYR 26 -13.313 1.881 0.595
203 HA TYR 26 HA TYR 26 -16.168 2.434 0.413
204 HB2 TYR 26 1HB TYR 26 -13.934 4.236 -0.515
205 HB3 TYR 26 2HB TYR 26 -15.528 4.690 0.069
206 HD1 TYR 26 HD2 TYR 26 -15.838 3.110 2.543
207 HD2 TYR 26 HD1 TYR 26 -12.366 5.134 0.996
208 HE1 TYR 26 HE2 TYR 26 -14.921 3.295 4.830
209 HE2 TYR 26 HE1 TYR 26 -11.459 5.316 3.293
210 HH TYR 26 HH TYR 26 -11.687 4.214 5.451
211 H ILE 27 H ILE 27 -13.686 3.184 -2.090
212 HA ILE 27 HA ILE 27 -15.752 2.935 -4.125
213 HB ILE 27 HB ILE 27 -12.854 3.038 -4.889
214 HG12 ILE 27 1HG1 ILE 27 -12.842 4.525 -3.004
215 HG13 ILE 27 2HG1 ILE 27 -12.882 5.503 -4.468
216 HG21 ILE 27 1HG2 ILE 27 -14.719 3.110 -6.557
217 HG22 ILE 27 2HG2 ILE 27 -13.650 4.511 -6.608
218 HG23 ILE 27 3HG2 ILE 27 -15.228 4.633 -5.830
219 HD11 ILE 27 3HD1 ILE 27 -15.524 5.257 -4.073
220 HD12 ILE 27 1HD1 ILE 27 -14.573 6.533 -3.322
221 HD13 ILE 27 2HD1 ILE 27 -14.978 5.086 -2.411
222 H GLY 28 H GLY 28 -12.570 1.349 -4.344
223 HA2 GLY 28 1HA GLY 28 -12.499 -1.186 -4.196
224 HA3 GLY 28 2HA GLY 28 -13.979 -1.180 -5.157
225 H TRP 29 H TRP 29 -12.487 1.360 -6.384
226 HA TRP 29 HA TRP 29 -11.421 -0.135 -8.679
227 HB2 TRP 29 1HB TRP 29 -12.801 1.915 -8.992
228 HB3 TRP 29 2HB TRP 29 -11.537 2.852 -8.185
229 HD1 TRP 29 HD1 TRP 29 -11.978 0.634 -11.336
230 HE1 TRP 29 HE1 TRP 29 -10.245 1.462 -13.077
231 HE3 TRP 29 HE3 TRP 29 -9.552 4.074 -8.538
232 HZ2 TRP 29 HZ2 TRP 29 -8.112 3.353 -13.232
233 HZ3 TRP 29 HZ3 TRP 29 -7.690 5.386 -9.463
234 HH2 TRP 29 HH2 TRP 29 -6.945 5.041 -11.815
235 H CYS 30 H CYS 30 -9.444 -1.038 -8.128
236 HA CYS 30 HA CYS 30 -7.192 0.805 -7.867
237 HB2 CYS 30 1HB CYS 30 -8.148 -0.870 -5.561
238 HB3 CYS 30 2HB CYS 30 -6.423 -0.565 -5.746
239 HA PRO 31 HA PRO 31 -6.322 -3.272 -9.898
240 HB2 PRO 31 1HB PRO 31 -5.969 -2.434 -12.432
241 HB3 PRO 31 2HB PRO 31 -7.595 -2.634 -11.746
242 HG2 PRO 31 1HG PRO 31 -6.019 -0.136 -12.175
243 HG3 PRO 31 2HG PRO 31 -7.753 -0.424 -12.396
244 HD2 PRO 31 1HD PRO 31 -6.601 0.775 -10.132
245 HD3 PRO 31 2HD PRO 31 -8.226 0.058 -10.188
246 H PHE 32 H PHE 32 -4.612 -0.206 -9.904
247 HA PHE 32 HA PHE 32 -2.169 -0.996 -11.107
248 HB2 PHE 32 1HB PHE 32 -2.974 1.071 -9.088
249 HB3 PHE 32 2HB PHE 32 -1.252 0.730 -9.239
250 HD1 PHE 32 HD1 PHE 32 -3.798 0.563 -11.961
251 HD2 PHE 32 HD2 PHE 32 -0.480 2.720 -10.289
252 HE1 PHE 32 HE1 PHE 32 -3.689 1.973 -13.996
253 HE2 PHE 32 HE2 PHE 32 -0.372 4.130 -12.326
254 HZ PHE 32 HZ PHE 32 -1.976 3.757 -14.179
255 H TRP 33 H TRP 33 -3.648 -2.403 -8.484
256 HA TRP 33 HA TRP 33 -1.137 -3.090 -7.070
257 HB2 TRP 33 1HB TRP 33 -4.041 -3.558 -6.492
258 HB3 TRP 33 2HB TRP 33 -2.767 -4.280 -5.537
259 HD1 TRP 33 HD1 TRP 33 -1.840 -2.884 -3.657
260 HE1 TRP 33 HE1 TRP 33 -2.001 -0.407 -2.934
261 HE3 TRP 33 HE3 TRP 33 -4.362 -0.961 -7.648
262 HZ2 TRP 33 HZ2 TRP 33 -3.061 2.039 -3.913
263 HZ3 TRP 33 HZ3 TRP 33 -4.939 1.446 -7.730
264 HH2 TRP 33 HH2 TRP 33 -4.292 2.952 -5.869
Start of MODEL 6
1 H1 ASN 1 1H ASN 1 16.896 -11.946 7.972
2 H2 ASN 1 2H ASN 1 18.410 -11.235 7.683
3 H3 ASN 1 3H ASN 1 17.675 -12.193 6.487
4 HA ASN 1 HA ASN 1 16.384 -9.739 7.507
5 HB2 ASN 1 1HB ASN 1 18.792 -9.434 6.534
6 HB3 ASN 1 2HB ASN 1 18.046 -9.823 4.985
7 HD21 ASN 1 2HD2 ASN 1 17.440 -7.969 3.878
8 HD22 ASN 1 1HD2 ASN 1 16.888 -6.533 4.595
9 H GLU 2 H GLU 2 15.069 -8.872 5.532
10 HA GLU 2 HA GLU 2 13.615 -11.194 4.357
11 HB2 GLU 2 1HB GLU 2 12.317 -9.488 5.610
12 HB3 GLU 2 2HB GLU 2 12.856 -8.258 4.468
13 HG2 GLU 2 1HG GLU 2 11.682 -9.274 2.661
14 HG3 GLU 2 2HG GLU 2 11.423 -10.763 3.571
15 H LEU 3 H LEU 3 13.314 -11.373 2.109
16 HA LEU 3 HA LEU 3 15.420 -10.361 0.452
17 HB2 LEU 3 1HB LEU 3 13.909 -12.479 0.152
18 HB3 LEU 3 2HB LEU 3 12.804 -11.370 -0.653
19 HG LEU 3 HG LEU 3 14.981 -10.656 -2.001
20 HD11 LEU 3 1HD1 LEU 3 15.656 -13.547 -1.417
21 HD12 LEU 3 2HD1 LEU 3 16.384 -12.227 -0.505
22 HD13 LEU 3 3HD1 LEU 3 16.640 -12.339 -2.245
23 HD21 LEU 3 3HD2 LEU 3 14.473 -12.470 -3.667
24 HD22 LEU 3 1HD2 LEU 3 13.035 -11.637 -3.076
25 HD23 LEU 3 2HD2 LEU 3 13.447 -13.235 -2.453
26 H ASP 4 H ASP 4 13.249 -8.531 1.801
27 HA ASP 4 HA ASP 4 12.188 -7.065 -0.500
28 HB2 ASP 4 1HB ASP 4 11.332 -5.487 1.197
29 HB3 ASP 4 2HB ASP 4 10.937 -7.150 1.633
30 H VAL 5 H VAL 5 14.232 -6.581 -1.583
31 HA VAL 5 HA VAL 5 16.243 -5.008 -0.233
32 HB VAL 5 HB VAL 5 15.867 -5.469 -3.199
33 HG11 VAL 5 1HG1 VAL 5 18.376 -5.024 -3.150
34 HG12 VAL 5 2HG1 VAL 5 18.141 -4.412 -1.512
35 HG13 VAL 5 3HG1 VAL 5 17.344 -3.621 -2.872
36 HG21 VAL 5 3HG2 VAL 5 17.380 -6.977 -1.054
37 HG22 VAL 5 1HG2 VAL 5 17.677 -7.195 -2.780
38 HG23 VAL 5 2HG2 VAL 5 16.100 -7.597 -2.098
39 HA PRO 6 HA PRO 6 14.189 -1.362 -2.479
40 HB2 PRO 6 1HB PRO 6 11.989 -1.579 -3.823
41 HB3 PRO 6 2HB PRO 6 13.419 -2.404 -4.417
42 HG2 PRO 6 1HG PRO 6 11.119 -3.563 -2.897
43 HG3 PRO 6 2HG PRO 6 11.937 -4.189 -4.342
44 HD2 PRO 6 1HD PRO 6 12.527 -4.937 -1.698
45 HD3 PRO 6 2HD PRO 6 13.601 -5.191 -3.089
46 H GLU 7 H GLU 7 13.785 -0.054 -0.833
47 HA GLU 7 HA GLU 7 11.867 -0.728 1.233
48 HB2 GLU 7 1HB GLU 7 13.298 1.915 0.997
49 HB3 GLU 7 2HB GLU 7 12.753 1.088 2.455
50 HG2 GLU 7 1HG GLU 7 15.054 0.643 2.465
51 HG3 GLU 7 2HG GLU 7 14.400 -0.808 1.707
52 H GLN 8 H GLN 8 12.162 2.277 -0.753
53 HA GLN 8 HA GLN 8 9.646 3.321 -0.082
54 HB2 GLN 8 1HB GLN 8 11.129 3.458 -2.720
55 HB3 GLN 8 2HB GLN 8 9.646 4.365 -2.400
56 HG2 GLN 8 1HG GLN 8 11.659 5.736 -1.952
57 HG3 GLN 8 2HG GLN 8 10.720 5.468 -0.483
58 HE21 GLN 8 2HE2 GLN 8 12.503 5.579 0.998
59 HE22 GLN 8 1HE2 GLN 8 13.752 4.430 1.014
60 H VAL 9 H VAL 9 10.377 0.492 -1.669
61 HA VAL 9 HA VAL 9 7.865 0.239 -3.139
62 HB VAL 9 HB VAL 9 10.354 -1.395 -2.643
63 HG11 VAL 9 1HG1 VAL 9 9.078 -3.281 -3.981
64 HG12 VAL 9 2HG1 VAL 9 7.624 -2.515 -3.345
65 HG13 VAL 9 3HG1 VAL 9 8.836 -3.161 -2.237
66 HG21 VAL 9 3HG2 VAL 9 8.725 -0.583 -5.091
67 HG22 VAL 9 1HG2 VAL 9 10.119 -1.657 -5.173
68 HG23 VAL 9 2HG2 VAL 9 10.318 0.005 -4.614
69 H ASP 10 H ASP 10 9.364 -1.734 -0.566
70 HA ASP 10 HA ASP 10 7.061 -2.993 0.386
71 HB2 ASP 10 1HB ASP 10 9.333 -3.478 1.245
72 HB3 ASP 10 2HB ASP 10 9.355 -1.914 2.062
73 H LYS 11 H LYS 11 8.257 0.268 1.156
74 HA LYS 11 HA LYS 11 6.219 0.878 3.087
75 HB2 LYS 11 1HB LYS 11 7.810 2.689 1.242
76 HB3 LYS 11 2HB LYS 11 6.750 3.271 2.525
77 HG2 LYS 11 1HG LYS 11 8.274 1.504 3.956
78 HG3 LYS 11 2HG LYS 11 9.440 1.982 2.725
79 HD2 LYS 11 1HD LYS 11 9.064 4.355 3.286
80 HD3 LYS 11 2HD LYS 11 7.883 3.880 4.505
81 HE2 LYS 11 1HE LYS 11 9.791 2.445 5.510
82 HE3 LYS 11 2HE LYS 11 10.865 3.416 4.504
83 HZ1 LYS 11 3HZ LYS 11 10.357 4.195 6.881
84 HZ2 LYS 11 1HZ LYS 11 8.869 4.708 6.246
85 HZ3 LYS 11 2HZ LYS 11 10.320 5.342 5.628
86 H LEU 12 H LEU 12 6.489 1.569 -0.398
87 HA LEU 12 HA LEU 12 3.958 2.730 -0.792
88 HB2 LEU 12 1HB LEU 12 5.924 1.229 -2.412
89 HB3 LEU 12 2HB LEU 12 4.341 1.384 -3.114
90 HG LEU 12 HG LEU 12 6.234 3.176 -3.591
91 HD11 LEU 12 1HD1 LEU 12 4.464 4.902 -3.917
92 HD12 LEU 12 2HD1 LEU 12 3.355 3.894 -2.985
93 HD13 LEU 12 3HD1 LEU 12 3.998 3.311 -4.521
94 HD21 LEU 12 3HD2 LEU 12 6.283 3.621 -0.942
95 HD22 LEU 12 1HD2 LEU 12 4.981 4.730 -1.353
96 HD23 LEU 12 2HD2 LEU 12 6.568 4.901 -2.101
97 H ILE 13 H ILE 13 4.908 -0.684 -1.122
98 HA ILE 13 HA ILE 13 2.366 -1.816 -1.484
99 HB ILE 13 HB ILE 13 4.733 -2.852 0.097
100 HG12 ILE 13 1HG1 ILE 13 3.947 -2.901 -2.822
101 HG13 ILE 13 2HG1 ILE 13 5.441 -2.328 -2.114
102 HG21 ILE 13 1HG2 ILE 13 2.530 -4.066 0.481
103 HG22 ILE 13 2HG2 ILE 13 3.819 -5.054 -0.190
104 HG23 ILE 13 3HG2 ILE 13 2.534 -4.453 -1.239
105 HD11 ILE 13 3HD1 ILE 13 5.825 -4.718 -1.321
106 HD12 ILE 13 1HD1 ILE 13 5.979 -4.429 -3.053
107 HD13 ILE 13 2HD1 ILE 13 4.513 -5.170 -2.409
108 H GLN 14 H GLN 14 4.102 -1.446 1.604
109 HA GLN 14 HA GLN 14 1.969 -2.106 3.313
110 HB2 GLN 14 1HB GLN 14 4.491 -0.572 3.574
111 HB3 GLN 14 2HB GLN 14 3.335 -0.377 4.870
112 HG2 GLN 14 1HG GLN 14 3.296 -2.789 5.246
113 HG3 GLN 14 2HG GLN 14 4.358 -3.047 3.861
114 HE21 GLN 14 2HE2 GLN 14 6.427 -3.513 4.607
115 HE22 GLN 14 1HE2 GLN 14 7.194 -2.738 5.908
116 H GLN 15 H GLN 15 2.765 0.969 1.784
117 HA GLN 15 HA GLN 15 0.759 2.460 3.246
118 HB2 GLN 15 1HB GLN 15 2.555 2.947 0.935
119 HB3 GLN 15 2HB GLN 15 1.233 4.065 1.177
120 HG2 GLN 15 1HG GLN 15 2.027 4.661 3.357
121 HG3 GLN 15 2HG GLN 15 3.174 3.321 3.376
122 HE21 GLN 15 2HE2 GLN 15 4.852 5.064 3.764
123 HE22 GLN 15 1HE2 GLN 15 5.460 5.920 2.430
124 H ALA 16 H ALA 16 0.831 0.476 0.417
125 HA ALA 16 HA ALA 16 -1.319 1.425 -1.090
126 HB1 ALA 16 3HB ALA 16 -1.446 -0.724 -2.036
127 HB2 ALA 16 1HB ALA 16 -1.005 -1.519 -0.523
128 HB3 ALA 16 2HB ALA 16 0.215 -0.642 -1.447
129 H THR 17 H THR 17 -1.373 0.360 2.150
130 HA THR 17 HA THR 17 -3.909 -0.836 2.432
131 HB THR 17 HB THR 17 -3.928 0.235 4.719
132 HG1 THR 17 HG1 THR 17 -2.089 1.782 3.441
133 HG21 THR 17 3HG2 THR 17 -1.662 -0.792 5.389
134 HG22 THR 17 1HG2 THR 17 -1.473 -1.181 3.679
135 HG23 THR 17 2HG2 THR 17 -2.822 -1.855 4.593
136 H SER 18 H SER 18 -3.012 2.509 1.903
137 HA SER 18 HA SER 18 -5.530 3.724 2.423
138 HB2 SER 18 1HB SER 18 -3.080 4.440 0.927
139 HB3 SER 18 2HB SER 18 -4.528 5.359 0.557
140 HG SER 18 HG SER 18 -4.613 6.059 2.618
141 H ILE 19 H ILE 19 -4.095 3.232 -0.790
142 HA ILE 19 HA ILE 19 -6.271 3.531 -2.414
143 HB ILE 19 HB ILE 19 -4.039 1.508 -2.540
144 HG12 ILE 19 1HG1 ILE 19 -4.378 4.113 -4.043
145 HG13 ILE 19 2HG1 ILE 19 -3.587 4.041 -2.465
146 HG21 ILE 19 1HG2 ILE 19 -4.571 1.597 -5.021
147 HG22 ILE 19 2HG2 ILE 19 -6.098 2.354 -4.571
148 HG23 ILE 19 3HG2 ILE 19 -5.725 0.724 -4.018
149 HD11 ILE 19 3HD1 ILE 19 -2.011 2.358 -3.352
150 HD12 ILE 19 1HD1 ILE 19 -1.921 3.874 -4.248
151 HD13 ILE 19 2HD1 ILE 19 -2.779 2.493 -4.932
152 H GLU 20 H GLU 20 -5.552 0.904 -0.252
153 HA GLU 20 HA GLU 20 -7.663 -0.855 -1.302
154 HB2 GLU 20 1HB GLU 20 -5.886 -0.967 1.154
155 HB3 GLU 20 2HB GLU 20 -7.135 -2.168 0.823
156 HG2 GLU 20 1HG GLU 20 -6.067 -2.870 -1.191
157 HG3 GLU 20 2HG GLU 20 -4.991 -1.471 -1.193
158 H ARG 21 H ARG 21 -7.100 1.128 1.602
159 HA ARG 21 HA ARG 21 -9.688 0.718 2.740
160 HB2 ARG 21 1HB ARG 21 -7.582 2.862 3.031
161 HB3 ARG 21 2HB ARG 21 -9.121 2.997 3.873
162 HG2 ARG 21 1HG ARG 21 -7.220 0.643 4.095
163 HG3 ARG 21 2HG ARG 21 -7.335 1.951 5.267
164 HD2 ARG 21 1HD ARG 21 -9.219 -0.311 4.765
165 HD3 ARG 21 2HD ARG 21 -8.789 0.469 6.280
166 HE ARG 21 HE ARG 21 -10.961 1.267 4.482
167 HH11 ARG 21 1HH2 ARG 21 -8.777 2.123 7.014
168 HH12 ARG 21 2HH2 ARG 21 -9.774 3.404 7.618
169 HH21 ARG 21 1HH1 ARG 21 -12.272 2.932 5.258
170 HH22 ARG 21 2HH1 ARG 21 -11.754 3.863 6.623
171 H LEU 22 H LEU 22 -8.465 2.831 0.224
172 HA LEU 22 HA LEU 22 -10.546 4.696 0.137
173 HB2 LEU 22 1HB LEU 22 -8.423 3.739 -1.636
174 HB3 LEU 22 2HB LEU 22 -9.728 4.538 -2.456
175 HG LEU 22 HG LEU 22 -9.435 6.410 -0.881
176 HD11 LEU 22 1HD1 LEU 22 -6.737 5.413 -0.188
177 HD12 LEU 22 2HD1 LEU 22 -8.123 4.916 0.775
178 HD13 LEU 22 3HD1 LEU 22 -7.736 6.619 0.620
179 HD21 LEU 22 3HD2 LEU 22 -7.568 7.381 -2.050
180 HD22 LEU 22 1HD2 LEU 22 -8.472 6.362 -3.168
181 HD23 LEU 22 2HD2 LEU 22 -6.968 5.775 -2.461
182 H CYS 23 H CYS 23 -10.038 2.015 -2.091
183 HA CYS 23 HA CYS 23 -12.668 2.076 -3.181
184 HB2 CYS 23 1HB CYS 23 -12.097 -0.490 -3.617
185 HB3 CYS 23 2HB CYS 23 -11.240 0.783 -4.480
186 H GLN 24 H GLN 24 -11.397 -0.288 -0.802
187 HA GLN 24 HA GLN 24 -13.758 -1.557 -0.107
188 HB2 GLN 24 1HB GLN 24 -11.516 -0.672 1.731
189 HB3 GLN 24 2HB GLN 24 -12.772 -1.823 2.185
190 HG2 GLN 24 1HG GLN 24 -12.103 -3.235 0.218
191 HG3 GLN 24 2HG GLN 24 -10.755 -2.133 -0.054
192 HE21 GLN 24 2HE2 GLN 24 -10.361 -4.914 0.618
193 HE22 GLN 24 1HE2 GLN 24 -9.626 -4.981 2.147
194 H HIS 25 H HIS 25 -12.739 1.691 0.863
195 HA HIS 25 HA HIS 25 -15.142 1.977 2.580
196 HB2 HIS 25 1HB HIS 25 -12.874 2.823 3.304
197 HB3 HIS 25 2HB HIS 25 -12.990 4.028 2.021
198 HD1 HIS 25 HD1 HIS 25 -14.657 2.983 5.252
199 HD2 HIS 25 HD2 HIS 25 -14.736 6.171 2.562
200 HE1 HIS 25 HE1 HIS 25 -16.042 4.806 6.339
201 HE2 HIS 25 HE2 HIS 25 -16.097 6.750 4.711
202 H TYR 26 H TYR 26 -13.620 4.091 0.106
203 HA TYR 26 HA TYR 26 -16.069 5.480 -0.417
204 HB2 TYR 26 1HB TYR 26 -13.549 5.246 -2.075
205 HB3 TYR 26 2HB TYR 26 -14.837 6.394 -2.390
206 HD1 TYR 26 HD1 TYR 26 -15.578 7.655 0.032
207 HD2 TYR 26 HD2 TYR 26 -11.690 6.183 -1.054
208 HE1 TYR 26 HE1 TYR 26 -14.531 9.188 1.669
209 HE2 TYR 26 HE2 TYR 26 -10.643 7.710 0.595
210 HH TYR 26 HH TYR 26 -11.180 8.958 2.531
211 H ILE 27 H ILE 27 -14.264 3.449 -2.762
212 HA ILE 27 HA ILE 27 -16.851 2.898 -4.120
213 HB ILE 27 HB ILE 27 -14.056 2.201 -5.043
214 HG12 ILE 27 1HG1 ILE 27 -14.764 4.349 -6.549
215 HG13 ILE 27 2HG1 ILE 27 -15.603 4.781 -5.076
216 HG21 ILE 27 1HG2 ILE 27 -16.752 2.400 -6.410
217 HG22 ILE 27 2HG2 ILE 27 -15.772 0.950 -6.191
218 HG23 ILE 27 3HG2 ILE 27 -15.224 2.230 -7.274
219 HD11 ILE 27 3HD1 ILE 27 -12.688 4.620 -5.647
220 HD12 ILE 27 1HD1 ILE 27 -13.199 4.120 -4.041
221 HD13 ILE 27 2HD1 ILE 27 -13.573 5.738 -4.612
222 H GLY 28 H GLY 28 -14.021 0.738 -3.980
223 HA2 GLY 28 1HA GLY 28 -14.297 -1.272 -2.357
224 HA3 GLY 28 2HA GLY 28 -15.871 -1.462 -3.116
225 H TRP 29 H TRP 29 -13.664 -0.318 -5.381
226 HA TRP 29 HA TRP 29 -13.436 -3.041 -6.564
227 HB2 TRP 29 1HB TRP 29 -14.275 -0.778 -7.742
228 HB3 TRP 29 2HB TRP 29 -12.548 -0.577 -8.040
229 HD1 TRP 29 HD1 TRP 29 -15.209 -3.386 -8.505
230 HE1 TRP 29 HE1 TRP 29 -14.617 -4.617 -10.705
231 HE3 TRP 29 HE3 TRP 29 -10.986 -0.890 -9.769
232 HZ2 TRP 29 HZ2 TRP 29 -12.608 -4.534 -12.725
233 HZ3 TRP 29 HZ3 TRP 29 -9.745 -1.455 -11.815
234 HH2 TRP 29 HH2 TRP 29 -10.536 -3.280 -13.313
235 H CYS 30 H CYS 30 -11.643 -3.982 -5.596
236 HA CYS 30 HA CYS 30 -9.025 -2.887 -6.366
237 HB2 CYS 30 1HB CYS 30 -9.992 -2.976 -3.522
238 HB3 CYS 30 2HB CYS 30 -8.289 -3.286 -3.849
239 HA PRO 31 HA PRO 31 -9.338 -7.514 -6.115
240 HB2 PRO 31 1HB PRO 31 -9.390 -8.129 -8.728
241 HB3 PRO 31 2HB PRO 31 -10.846 -7.539 -7.900
242 HG2 PRO 31 1HG PRO 31 -8.966 -6.066 -9.693
243 HG3 PRO 31 2HG PRO 31 -10.734 -5.975 -9.599
244 HD2 PRO 31 1HD PRO 31 -8.969 -4.161 -8.378
245 HD3 PRO 31 2HD PRO 31 -10.672 -4.384 -7.924
246 H PHE 32 H PHE 32 -7.184 -5.322 -7.767
247 HA PHE 32 HA PHE 32 -5.209 -7.161 -8.667
248 HB2 PHE 32 1HB PHE 32 -5.346 -4.637 -9.114
249 HB3 PHE 32 2HB PHE 32 -4.590 -4.425 -7.536
250 HD1 PHE 32 HD2 PHE 32 -4.158 -6.064 -10.858
251 HD2 PHE 32 HD1 PHE 32 -2.249 -4.726 -7.250
252 HE1 PHE 32 HE2 PHE 32 -1.937 -6.517 -11.865
253 HE2 PHE 32 HE1 PHE 32 -0.028 -5.179 -8.257
254 HZ PHE 32 HZ PHE 32 0.128 -6.075 -10.564
255 H TRP 33 H TRP 33 -6.324 -6.859 -5.589
256 HA TRP 33 HA TRP 33 -3.701 -7.246 -4.261
257 HB2 TRP 33 1HB TRP 33 -6.493 -6.779 -3.281
258 HB3 TRP 33 2HB TRP 33 -5.218 -7.282 -2.193
259 HD1 TRP 33 HD1 TRP 33 -3.763 -5.454 -1.249
260 HE1 TRP 33 HE1 TRP 33 -3.360 -2.954 -1.762
261 HE3 TRP 33 HE3 TRP 33 -6.561 -4.966 -5.481
262 HZ2 TRP 33 HZ2 TRP 33 -4.122 -1.024 -3.699
263 HZ3 TRP 33 HZ3 TRP 33 -6.709 -2.783 -6.643
264 HH2 TRP 33 HH2 TRP 33 -5.494 -0.811 -5.762
Start of MODEL 7
1 H1 ASN 1 1H ASN 1 20.583 -3.767 3.239
2 H2 ASN 1 2H ASN 1 22.259 -3.623 2.996
3 H3 ASN 1 3H ASN 1 21.612 -3.513 4.563
4 HA ASN 1 HA ASN 1 22.150 -5.864 2.927
5 HB2 ASN 1 1HB ASN 1 23.499 -5.284 4.916
6 HB3 ASN 1 2HB ASN 1 22.045 -5.338 5.914
7 HD21 ASN 1 2HD2 ASN 1 24.297 -7.347 4.031
8 HD22 ASN 1 1HD2 ASN 1 23.789 -8.829 4.686
9 H GLU 2 H GLU 2 19.425 -4.317 4.228
10 HA GLU 2 HA GLU 2 17.847 -6.360 5.297
11 HB2 GLU 2 1HB GLU 2 17.116 -4.055 3.526
12 HB3 GLU 2 2HB GLU 2 15.899 -5.116 4.223
13 HG2 GLU 2 1HG GLU 2 16.847 -4.611 6.490
14 HG3 GLU 2 2HG GLU 2 17.921 -3.435 5.732
15 H LEU 3 H LEU 3 17.325 -8.326 4.492
16 HA LEU 3 HA LEU 3 17.898 -9.222 1.893
17 HB2 LEU 3 1HB LEU 3 17.364 -10.787 3.689
18 HB3 LEU 3 2HB LEU 3 15.729 -10.140 3.807
19 HG LEU 3 HG LEU 3 15.180 -10.969 1.591
20 HD11 LEU 3 1HD1 LEU 3 18.134 -11.581 1.483
21 HD12 LEU 3 2HD1 LEU 3 17.138 -10.738 0.296
22 HD13 LEU 3 3HD1 LEU 3 16.995 -12.484 0.483
23 HD21 LEU 3 3HD2 LEU 3 14.938 -12.559 3.428
24 HD22 LEU 3 1HD2 LEU 3 16.632 -13.027 3.282
25 HD23 LEU 3 2HD2 LEU 3 15.496 -13.416 1.991
26 H ASP 4 H ASP 4 15.561 -7.042 2.932
27 HA ASP 4 HA ASP 4 13.992 -7.290 0.382
28 HB2 ASP 4 1HB ASP 4 12.160 -6.197 1.587
29 HB3 ASP 4 2HB ASP 4 12.677 -7.636 2.464
30 H VAL 5 H VAL 5 16.023 -6.018 -0.371
31 HA VAL 5 HA VAL 5 16.614 -3.422 0.479
32 HB VAL 5 HB VAL 5 16.863 -4.792 -2.190
33 HG11 VAL 5 1HG1 VAL 5 16.462 -2.530 -2.890
34 HG12 VAL 5 2HG1 VAL 5 18.211 -2.750 -2.905
35 HG13 VAL 5 3HG1 VAL 5 17.443 -1.885 -1.575
36 HG21 VAL 5 3HG2 VAL 5 18.435 -5.339 -0.372
37 HG22 VAL 5 1HG2 VAL 5 18.855 -3.632 -0.227
38 HG23 VAL 5 2HG2 VAL 5 19.258 -4.516 -1.697
39 HA PRO 6 HA PRO 6 13.350 -1.821 -3.079
40 HB2 PRO 6 1HB PRO 6 11.352 -3.783 -2.028
41 HB3 PRO 6 2HB PRO 6 11.541 -3.121 -3.660
42 HG2 PRO 6 1HG PRO 6 12.466 -5.613 -2.786
43 HG3 PRO 6 2HG PRO 6 12.938 -4.790 -4.280
44 HD2 PRO 6 1HD PRO 6 14.626 -5.338 -2.059
45 HD3 PRO 6 2HD PRO 6 15.012 -4.304 -3.449
46 H GLU 7 H GLU 7 13.201 0.032 -1.871
47 HA GLU 7 HA GLU 7 11.872 -0.017 0.767
48 HB2 GLU 7 1HB GLU 7 13.165 2.334 -0.635
49 HB3 GLU 7 2HB GLU 7 12.737 2.215 1.070
50 HG2 GLU 7 1HG GLU 7 15.072 1.788 1.002
51 HG3 GLU 7 2HG GLU 7 14.327 0.197 1.162
52 H GLN 8 H GLN 8 11.714 2.334 -1.952
53 HA GLN 8 HA GLN 8 9.160 3.305 -1.308
54 HB2 GLN 8 1HB GLN 8 10.458 2.993 -4.027
55 HB3 GLN 8 2HB GLN 8 8.923 3.831 -3.783
56 HG2 GLN 8 1HG GLN 8 10.624 5.520 -3.748
57 HG3 GLN 8 2HG GLN 8 10.134 5.285 -2.071
58 HE21 GLN 8 2HE2 GLN 8 11.875 5.087 -0.671
59 HE22 GLN 8 1HE2 GLN 8 13.400 4.466 -1.084
60 H VAL 9 H VAL 9 10.004 0.224 -2.219
61 HA VAL 9 HA VAL 9 7.459 -0.499 -3.475
62 HB VAL 9 HB VAL 9 9.867 -2.057 -2.494
63 HG11 VAL 9 1HG1 VAL 9 8.087 -3.554 -2.060
64 HG12 VAL 9 2HG1 VAL 9 8.672 -4.030 -3.657
65 HG13 VAL 9 3HG1 VAL 9 7.205 -3.061 -3.507
66 HG21 VAL 9 3HG2 VAL 9 10.449 -1.171 -4.576
67 HG22 VAL 9 1HG2 VAL 9 8.798 -1.237 -5.191
68 HG23 VAL 9 2HG2 VAL 9 9.749 -2.713 -5.060
69 H ASP 10 H ASP 10 9.164 -1.711 -0.618
70 HA ASP 10 HA ASP 10 7.078 -2.850 0.791
71 HB2 ASP 10 1HB ASP 10 9.334 -2.996 1.621
72 HB3 ASP 10 2HB ASP 10 9.448 -1.244 1.799
73 H LYS 11 H LYS 11 7.920 0.599 0.645
74 HA LYS 11 HA LYS 11 5.871 1.421 2.511
75 HB2 LYS 11 1HB LYS 11 7.470 2.847 0.376
76 HB3 LYS 11 2HB LYS 11 6.142 3.673 1.186
77 HG2 LYS 11 1HG LYS 11 8.053 4.251 2.458
78 HG3 LYS 11 2HG LYS 11 7.288 2.972 3.396
79 HD2 LYS 11 1HD LYS 11 8.834 1.321 2.470
80 HD3 LYS 11 2HD LYS 11 9.546 2.546 1.420
81 HE2 LYS 11 1HE LYS 11 10.715 1.958 3.708
82 HE3 LYS 11 2HE LYS 11 10.619 3.636 3.178
83 HZ1 LYS 11 3HZ LYS 11 9.933 3.282 5.511
84 HZ2 LYS 11 1HZ LYS 11 8.633 2.341 4.962
85 HZ3 LYS 11 2HZ LYS 11 8.723 3.989 4.553
86 H LEU 12 H LEU 12 6.051 1.346 -1.042
87 HA LEU 12 HA LEU 12 3.404 2.146 -1.589
88 HB2 LEU 12 1HB LEU 12 5.511 0.568 -2.936
89 HB3 LEU 12 2HB LEU 12 3.916 0.444 -3.621
90 HG LEU 12 HG LEU 12 5.593 2.276 -4.487
91 HD11 LEU 12 1HD1 LEU 12 3.638 3.820 -4.914
92 HD12 LEU 12 2HD1 LEU 12 2.682 2.789 -3.848
93 HD13 LEU 12 3HD1 LEU 12 3.357 2.131 -5.340
94 HD21 LEU 12 3HD2 LEU 12 5.841 4.258 -3.338
95 HD22 LEU 12 1HD2 LEU 12 5.743 3.168 -1.969
96 HD23 LEU 12 2HD2 LEU 12 4.326 4.083 -2.454
97 H ILE 13 H ILE 13 4.739 -1.156 -1.260
98 HA ILE 13 HA ILE 13 2.350 -2.614 -1.374
99 HB ILE 13 HB ILE 13 4.763 -3.015 0.417
100 HG12 ILE 13 1HG1 ILE 13 4.084 -3.758 -2.434
101 HG13 ILE 13 2HG1 ILE 13 5.506 -2.933 -1.832
102 HG21 ILE 13 1HG2 ILE 13 4.096 -5.312 0.623
103 HG22 ILE 13 2HG2 ILE 13 2.787 -5.104 -0.541
104 HG23 ILE 13 3HG2 ILE 13 2.688 -4.348 1.048
105 HD11 ILE 13 3HD1 ILE 13 6.040 -5.077 -0.561
106 HD12 ILE 13 1HD1 ILE 13 6.234 -5.127 -2.311
107 HD13 ILE 13 2HD1 ILE 13 4.807 -5.842 -1.561
108 H GLN 14 H GLN 14 3.927 -1.338 1.549
109 HA GLN 14 HA GLN 14 1.860 -1.834 3.385
110 HB2 GLN 14 1HB GLN 14 4.119 0.075 3.200
111 HB3 GLN 14 2HB GLN 14 2.908 0.442 4.404
112 HG2 GLN 14 1HG GLN 14 4.872 -0.989 5.193
113 HG3 GLN 14 2HG GLN 14 3.269 -1.641 5.529
114 HE21 GLN 14 2HE2 GLN 14 6.221 -2.148 3.709
115 HE22 GLN 14 1HE2 GLN 14 5.776 -3.635 3.025
116 H GLN 15 H GLN 15 2.347 0.962 1.240
117 HA GLN 15 HA GLN 15 -0.064 2.276 2.168
118 HB2 GLN 15 1HB GLN 15 1.982 2.747 0.069
119 HB3 GLN 15 2HB GLN 15 0.456 3.585 -0.109
120 HG2 GLN 15 1HG GLN 15 0.744 4.468 2.218
121 HG3 GLN 15 2HG GLN 15 2.332 3.700 2.270
122 HE21 GLN 15 2HE2 GLN 15 3.057 6.078 2.542
123 HE22 GLN 15 1HE2 GLN 15 3.305 6.985 1.128
124 H ALA 16 H ALA 16 0.558 -0.338 0.152
125 HA ALA 16 HA ALA 16 -1.764 0.106 -1.619
126 HB1 ALA 16 3HB ALA 16 -1.043 -1.838 -2.795
127 HB2 ALA 16 1HB ALA 16 -0.069 -2.388 -1.431
128 HB3 ALA 16 2HB ALA 16 0.435 -0.978 -2.363
129 H THR 17 H THR 17 -1.181 -1.131 1.449
130 HA THR 17 HA THR 17 -3.084 -3.325 1.397
131 HB THR 17 HB THR 17 -2.840 -3.174 3.909
132 HG1 THR 17 HG1 THR 17 -1.157 -1.048 3.102
133 HG21 THR 17 3HG2 THR 17 -0.291 -3.236 2.270
134 HG22 THR 17 1HG2 THR 17 -1.373 -4.603 2.541
135 HG23 THR 17 2HG2 THR 17 -0.481 -3.901 3.892
136 H SER 18 H SER 18 -3.295 0.125 2.108
137 HA SER 18 HA SER 18 -6.021 -0.186 3.150
138 HB2 SER 18 1HB SER 18 -4.082 2.064 2.963
139 HB3 SER 18 2HB SER 18 -5.789 2.408 3.203
140 HG SER 18 HG SER 18 -4.438 0.488 4.767
141 H ILE 19 H ILE 19 -4.521 0.413 0.078
142 HA ILE 19 HA ILE 19 -6.292 2.161 -1.184
143 HB ILE 19 HB ILE 19 -4.917 -0.358 -2.130
144 HG12 ILE 19 1HG1 ILE 19 -4.449 2.611 -2.596
145 HG13 ILE 19 2HG1 ILE 19 -3.539 1.607 -1.472
146 HG21 ILE 19 1HG2 ILE 19 -6.561 1.655 -3.675
147 HG22 ILE 19 2HG2 ILE 19 -6.837 -0.077 -3.560
148 HG23 ILE 19 3HG2 ILE 19 -5.445 0.531 -4.439
149 HD11 ILE 19 3HD1 ILE 19 -3.066 0.118 -3.556
150 HD12 ILE 19 1HD1 ILE 19 -2.179 1.631 -3.384
151 HD13 ILE 19 2HD1 ILE 19 -3.559 1.538 -4.475
152 H GLU 20 H GLU 20 -6.740 -0.982 0.103
153 HA GLU 20 HA GLU 20 -9.276 -1.545 -1.260
154 HB2 GLU 20 1HB GLU 20 -9.397 -3.503 0.130
155 HB3 GLU 20 2HB GLU 20 -7.702 -3.325 -0.320
156 HG2 GLU 20 1HG GLU 20 -7.461 -1.987 1.885
157 HG3 GLU 20 2HG GLU 20 -9.017 -2.689 2.323
158 H ARG 21 H ARG 21 -8.137 -0.272 1.795
159 HA ARG 21 HA ARG 21 -10.702 0.061 3.047
160 HB2 ARG 21 1HB ARG 21 -7.902 1.093 3.508
161 HB3 ARG 21 2HB ARG 21 -9.243 1.802 4.410
162 HG2 ARG 21 1HG ARG 21 -8.660 -1.175 4.302
163 HG3 ARG 21 2HG ARG 21 -8.099 -0.112 5.589
164 HD2 ARG 21 1HD ARG 21 -10.733 0.529 5.637
165 HD3 ARG 21 2HD ARG 21 -10.850 -1.129 5.046
166 HE ARG 21 HE ARG 21 -10.165 -0.356 7.732
167 HH11 ARG 21 1HH2 ARG 21 -9.469 -2.575 5.188
168 HH12 ARG 21 2HH2 ARG 21 -8.966 -3.845 6.253
169 HH21 ARG 21 1HH1 ARG 21 -9.514 -1.999 9.139
170 HH22 ARG 21 2HH1 ARG 21 -8.991 -3.518 8.491
171 H LEU 22 H LEU 22 -8.704 2.021 0.907
172 HA LEU 22 HA LEU 22 -10.046 4.479 1.206
173 HB2 LEU 22 1HB LEU 22 -8.195 3.217 -0.682
174 HB3 LEU 22 2HB LEU 22 -9.021 4.610 -1.290
175 HG LEU 22 HG LEU 22 -8.255 5.838 0.684
176 HD11 LEU 22 1HD1 LEU 22 -6.602 3.402 1.187
177 HD12 LEU 22 2HD1 LEU 22 -7.955 3.948 2.178
178 HD13 LEU 22 3HD1 LEU 22 -6.491 4.918 2.073
179 HD21 LEU 22 3HD2 LEU 22 -5.981 6.150 -0.089
180 HD22 LEU 22 1HD2 LEU 22 -7.038 5.878 -1.474
181 HD23 LEU 22 2HD2 LEU 22 -6.020 4.569 -0.872
182 H CYS 23 H CYS 23 -10.110 2.383 -1.611
183 HA CYS 23 HA CYS 23 -12.302 3.493 -2.922
184 HB2 CYS 23 1HB CYS 23 -12.655 1.092 -3.827
185 HB3 CYS 23 2HB CYS 23 -11.078 1.835 -4.090
186 H GLN 24 H GLN 24 -12.572 0.545 -0.899
187 HA GLN 24 HA GLN 24 -15.313 0.248 -0.837
188 HB2 GLN 24 1HB GLN 24 -13.244 -0.126 1.328
189 HB3 GLN 24 2HB GLN 24 -14.944 -0.480 1.640
190 HG2 GLN 24 1HG GLN 24 -13.578 -2.467 0.869
191 HG3 GLN 24 2HG GLN 24 -15.003 -2.130 -0.114
192 HE21 GLN 24 2HE2 GLN 24 -11.625 -2.624 -0.259
193 HE22 GLN 24 1HE2 GLN 24 -11.372 -2.064 -1.841
194 H HIS 25 H HIS 25 -13.441 2.699 0.883
195 HA HIS 25 HA HIS 25 -15.894 3.738 2.185
196 HB2 HIS 25 1HB HIS 25 -13.809 3.556 3.511
197 HB3 HIS 25 2HB HIS 25 -13.019 4.670 2.395
198 HD1 HIS 25 HD1 HIS 25 -16.432 5.724 2.699
199 HD2 HIS 25 HD2 HIS 25 -13.016 6.207 5.044
200 HE1 HIS 25 HE1 HIS 25 -16.892 7.679 4.244
201 HE2 HIS 25 HE2 HIS 25 -14.820 7.982 5.675
202 H TYR 26 H TYR 26 -13.249 5.008 0.122
203 HA TYR 26 HA TYR 26 -14.900 7.363 -0.526
204 HB2 TYR 26 1HB TYR 26 -12.121 6.739 -1.526
205 HB3 TYR 26 2HB TYR 26 -12.898 8.309 -1.365
206 HD1 TYR 26 HD1 TYR 26 -13.973 8.559 1.208
207 HD2 TYR 26 HD2 TYR 26 -10.431 6.396 0.074
208 HE1 TYR 26 HE1 TYR 26 -13.116 8.748 3.522
209 HE2 TYR 26 HE2 TYR 26 -9.582 6.584 2.403
210 HH TYR 26 HH TYR 26 -11.558 8.003 4.973
211 H ILE 27 H ILE 27 -12.878 5.253 -2.667
212 HA ILE 27 HA ILE 27 -14.688 5.934 -4.873
213 HB ILE 27 HB ILE 27 -12.582 3.819 -5.171
214 HG12 ILE 27 1HG1 ILE 27 -11.379 5.409 -3.836
215 HG13 ILE 27 2HG1 ILE 27 -10.896 5.648 -5.512
216 HG21 ILE 27 1HG2 ILE 27 -13.371 6.170 -6.886
217 HG22 ILE 27 2HG2 ILE 27 -14.004 4.535 -7.074
218 HG23 ILE 27 3HG2 ILE 27 -12.290 4.854 -7.343
219 HD11 ILE 27 3HD1 ILE 27 -11.324 7.827 -4.939
220 HD12 ILE 27 1HD1 ILE 27 -12.536 7.385 -3.746
221 HD13 ILE 27 2HD1 ILE 27 -12.940 7.363 -5.459
222 H GLY 28 H GLY 28 -13.506 2.635 -4.186
223 HA2 GLY 28 1HA GLY 28 -15.295 1.031 -3.247
224 HA3 GLY 28 2HA GLY 28 -16.327 1.666 -4.528
225 H TRP 29 H TRP 29 -13.587 1.797 -6.106
226 HA TRP 29 HA TRP 29 -13.935 -0.890 -7.305
227 HB2 TRP 29 1HB TRP 29 -13.658 1.411 -8.569
228 HB3 TRP 29 2HB TRP 29 -11.940 1.167 -8.264
229 HD1 TRP 29 HD1 TRP 29 -11.758 -1.966 -8.723
230 HE1 TRP 29 HE1 TRP 29 -12.090 -2.912 -11.105
231 HE3 TRP 29 HE3 TRP 29 -14.290 1.894 -10.842
232 HZ2 TRP 29 HZ2 TRP 29 -13.272 -2.126 -13.572
233 HZ3 TRP 29 HZ3 TRP 29 -15.009 1.790 -13.190
234 HH2 TRP 29 HH2 TRP 29 -14.511 -0.214 -14.579
235 H CYS 30 H CYS 30 -12.720 -2.529 -6.469
236 HA CYS 30 HA CYS 30 -9.848 -2.167 -6.104
237 HB2 CYS 30 1HB CYS 30 -11.730 -2.277 -3.793
238 HB3 CYS 30 2HB CYS 30 -10.223 -3.181 -3.639
239 HA PRO 31 HA PRO 31 -10.626 -6.308 -7.903
240 HB2 PRO 31 1HB PRO 31 -7.755 -6.428 -6.974
241 HB3 PRO 31 2HB PRO 31 -8.483 -7.115 -8.444
242 HG2 PRO 31 1HG PRO 31 -7.179 -4.837 -8.577
243 HG3 PRO 31 2HG PRO 31 -8.718 -5.024 -9.441
244 HD2 PRO 31 1HD PRO 31 -8.140 -3.479 -6.947
245 HD3 PRO 31 2HD PRO 31 -9.346 -3.155 -8.212
246 H PHE 32 H PHE 32 -8.206 -7.490 -5.699
247 HA PHE 32 HA PHE 32 -10.091 -8.079 -3.544
248 HB2 PHE 32 1HB PHE 32 -8.982 -10.381 -5.175
249 HB3 PHE 32 2HB PHE 32 -10.100 -10.481 -3.816
250 HD1 PHE 32 HD1 PHE 32 -12.431 -9.616 -4.047
251 HD2 PHE 32 HD2 PHE 32 -9.740 -9.850 -7.386
252 HE1 PHE 32 HE1 PHE 32 -14.347 -9.394 -5.606
253 HE2 PHE 32 HE2 PHE 32 -11.654 -9.627 -8.946
254 HZ PHE 32 HZ PHE 32 -13.959 -9.401 -8.056
255 H TRP 33 H TRP 33 -7.975 -6.769 -2.882
256 HA TRP 33 HA TRP 33 -5.424 -7.813 -2.695
257 HB2 TRP 33 1HB TRP 33 -7.069 -6.148 -0.864
258 HB3 TRP 33 2HB TRP 33 -5.588 -6.794 -0.206
259 HD1 TRP 33 HD1 TRP 33 -3.390 -5.764 -0.955
260 HE1 TRP 33 HE1 TRP 33 -2.745 -3.754 -2.446
261 HE3 TRP 33 HE3 TRP 33 -7.906 -4.781 -3.083
262 HZ2 TRP 33 HZ2 TRP 33 -3.985 -1.975 -4.278
263 HZ3 TRP 33 HZ3 TRP 33 -8.153 -2.919 -4.695
264 HH2 TRP 33 HH2 TRP 33 -6.202 -1.517 -5.303
Start of MODEL 8
1 H1 ASN 1 1H ASN 1 20.205 -7.614 7.400
2 H2 ASN 1 2H ASN 1 20.542 -6.685 8.783
3 H3 ASN 1 3H ASN 1 20.594 -5.970 7.242
4 HA ASN 1 HA ASN 1 18.393 -6.262 8.994
5 HB2 ASN 1 1HB ASN 1 17.366 -4.872 7.037
6 HB3 ASN 1 2HB ASN 1 18.707 -4.176 7.948
7 HD21 ASN 1 2HD2 ASN 1 17.862 -5.752 4.871
8 HD22 ASN 1 1HD2 ASN 1 19.274 -5.287 4.052
9 H GLU 2 H GLU 2 16.189 -6.275 7.349
10 HA GLU 2 HA GLU 2 15.616 -9.011 7.016
11 HB2 GLU 2 1HB GLU 2 14.170 -6.666 6.777
12 HB3 GLU 2 2HB GLU 2 14.199 -7.220 5.107
13 HG2 GLU 2 1HG GLU 2 13.292 -8.865 7.495
14 HG3 GLU 2 2HG GLU 2 12.229 -8.105 6.313
15 H LEU 3 H LEU 3 16.334 -10.451 5.555
16 HA LEU 3 HA LEU 3 18.225 -9.910 3.574
17 HB2 LEU 3 1HB LEU 3 17.051 -12.195 4.532
18 HB3 LEU 3 2HB LEU 3 16.329 -12.122 2.928
19 HG LEU 3 HG LEU 3 18.806 -11.687 2.128
20 HD11 LEU 3 1HD1 LEU 3 19.382 -13.280 4.634
21 HD12 LEU 3 2HD1 LEU 3 19.547 -11.526 4.596
22 HD13 LEU 3 3HD1 LEU 3 20.531 -12.527 3.529
23 HD21 LEU 3 3HD2 LEU 3 17.685 -14.344 3.060
24 HD22 LEU 3 1HD2 LEU 3 19.185 -14.224 2.141
25 HD23 LEU 3 2HD2 LEU 3 17.670 -13.673 1.430
26 H ASP 4 H ASP 4 15.012 -8.977 3.599
27 HA ASP 4 HA ASP 4 14.764 -8.873 0.637
28 HB2 ASP 4 1HB ASP 4 12.479 -8.427 0.950
29 HB3 ASP 4 2HB ASP 4 12.841 -9.514 2.284
30 H VAL 5 H VAL 5 15.395 -7.065 -0.430
31 HA VAL 5 HA VAL 5 16.140 -4.689 1.127
32 HB VAL 5 HB VAL 5 16.470 -5.038 -1.847
33 HG11 VAL 5 1HG1 VAL 5 18.142 -3.595 0.227
34 HG12 VAL 5 2HG1 VAL 5 16.906 -2.817 -0.762
35 HG13 VAL 5 3HG1 VAL 5 18.331 -3.520 -1.525
36 HG21 VAL 5 3HG2 VAL 5 17.424 -7.038 -0.957
37 HG22 VAL 5 1HG2 VAL 5 18.094 -6.186 0.435
38 HG23 VAL 5 2HG2 VAL 5 18.776 -5.928 -1.172
39 HA PRO 6 HA PRO 6 12.850 -3.107 -2.249
40 HB2 PRO 6 1HB PRO 6 10.884 -5.239 -1.508
41 HB3 PRO 6 2HB PRO 6 11.108 -4.396 -3.046
42 HG2 PRO 6 1HG PRO 6 11.994 -6.859 -2.764
43 HG3 PRO 6 2HG PRO 6 12.980 -5.649 -3.611
44 HD2 PRO 6 1HD PRO 6 13.295 -6.716 -0.824
45 HD3 PRO 6 2HD PRO 6 14.547 -6.303 -2.014
46 H GLU 7 H GLU 7 13.092 -1.668 -0.420
47 HA GLU 7 HA GLU 7 11.046 -1.854 1.704
48 HB2 GLU 7 1HB GLU 7 13.246 -1.301 2.529
49 HB3 GLU 7 2HB GLU 7 13.433 -0.024 1.328
50 HG2 GLU 7 1HG GLU 7 11.838 1.369 2.392
51 HG3 GLU 7 2HG GLU 7 11.172 0.033 3.330
52 H GLN 8 H GLN 8 12.232 0.575 -0.670
53 HA GLN 8 HA GLN 8 10.041 2.351 -0.339
54 HB2 GLN 8 1HB GLN 8 11.754 1.761 -2.768
55 HB3 GLN 8 2HB GLN 8 10.528 3.032 -2.744
56 HG2 GLN 8 1HG GLN 8 12.775 3.927 -2.192
57 HG3 GLN 8 2HG GLN 8 11.656 4.105 -0.840
58 HE21 GLN 8 2HE2 GLN 8 14.077 1.741 -2.089
59 HE22 GLN 8 1HE2 GLN 8 14.633 1.277 -0.555
60 H VAL 9 H VAL 9 10.116 -0.798 -1.388
61 HA VAL 9 HA VAL 9 7.821 -0.650 -3.203
62 HB VAL 9 HB VAL 9 9.362 -2.935 -1.922
63 HG11 VAL 9 1HG1 VAL 9 6.845 -2.990 -3.588
64 HG12 VAL 9 2HG1 VAL 9 7.164 -3.792 -2.048
65 HG13 VAL 9 3HG1 VAL 9 7.946 -4.368 -3.522
66 HG21 VAL 9 3HG2 VAL 9 9.657 -3.396 -4.520
67 HG22 VAL 9 1HG2 VAL 9 10.667 -2.198 -3.711
68 HG23 VAL 9 2HG2 VAL 9 9.274 -1.684 -4.662
69 H ASP 10 H ASP 10 8.405 -2.390 -0.165
70 HA ASP 10 HA ASP 10 5.781 -2.863 0.614
71 HB2 ASP 10 1HB ASP 10 7.629 -3.753 1.887
72 HB3 ASP 10 2HB ASP 10 8.202 -2.133 2.297
73 H LYS 11 H LYS 11 7.690 0.103 1.140
74 HA LYS 11 HA LYS 11 5.637 1.518 2.558
75 HB2 LYS 11 1HB LYS 11 8.102 2.294 1.024
76 HB3 LYS 11 2HB LYS 11 6.940 3.562 1.414
77 HG2 LYS 11 1HG LYS 11 8.657 3.380 3.172
78 HG3 LYS 11 2HG LYS 11 7.069 2.946 3.802
79 HD2 LYS 11 1HD LYS 11 7.576 0.576 3.586
80 HD3 LYS 11 2HD LYS 11 9.113 0.948 2.805
81 HE2 LYS 11 1HE LYS 11 9.389 0.397 5.220
82 HE3 LYS 11 2HE LYS 11 9.926 2.034 4.840
83 HZ1 LYS 11 3HZ LYS 11 7.308 1.262 6.011
84 HZ2 LYS 11 1HZ LYS 11 7.735 2.840 5.559
85 HZ3 LYS 11 2HZ LYS 11 8.577 2.058 6.812
86 H LEU 12 H LEU 12 6.538 1.455 -0.888
87 HA LEU 12 HA LEU 12 4.475 3.110 -1.870
88 HB2 LEU 12 1HB LEU 12 6.187 0.937 -2.921
89 HB3 LEU 12 2HB LEU 12 4.819 1.368 -3.904
90 HG LEU 12 HG LEU 12 7.166 2.540 -4.250
91 HD11 LEU 12 1HD1 LEU 12 5.153 3.072 -5.525
92 HD12 LEU 12 2HD1 LEU 12 6.005 4.555 -5.094
93 HD13 LEU 12 3HD1 LEU 12 4.559 4.079 -4.203
94 HD21 LEU 12 3HD2 LEU 12 6.090 4.668 -2.428
95 HD22 LEU 12 1HD2 LEU 12 7.744 4.345 -2.939
96 HD23 LEU 12 2HD2 LEU 12 6.999 3.351 -1.703
97 H ILE 13 H ILE 13 4.569 -0.452 -1.644
98 HA ILE 13 HA ILE 13 1.902 -1.001 -2.303
99 HB ILE 13 HB ILE 13 3.671 -2.285 -0.204
100 HG12 ILE 13 1HG1 ILE 13 3.317 -2.631 -3.186
101 HG13 ILE 13 2HG1 ILE 13 4.795 -2.339 -2.297
102 HG21 ILE 13 1HG2 ILE 13 1.222 -2.879 -0.021
103 HG22 ILE 13 2HG2 ILE 13 2.265 -4.242 -0.389
104 HG23 ILE 13 3HG2 ILE 13 1.307 -3.495 -1.670
105 HD11 ILE 13 3HD1 ILE 13 3.180 -4.871 -2.399
106 HD12 ILE 13 1HD1 ILE 13 4.417 -4.586 -1.176
107 HD13 ILE 13 2HD1 ILE 13 4.860 -4.630 -2.882
108 H GLN 14 H GLN 14 3.190 -0.594 0.998
109 HA GLN 14 HA GLN 14 0.793 -0.447 2.402
110 HB2 GLN 14 1HB GLN 14 3.500 0.709 2.775
111 HB3 GLN 14 2HB GLN 14 2.242 1.327 3.815
112 HG2 GLN 14 1HG GLN 14 1.703 -1.038 4.467
113 HG3 GLN 14 2HG GLN 14 3.089 -1.568 3.514
114 HE21 GLN 14 2HE2 GLN 14 5.227 -0.283 4.142
115 HE22 GLN 14 1HE2 GLN 14 5.476 -0.051 5.804
116 H GLN 15 H GLN 15 2.329 2.009 0.413
117 HA GLN 15 HA GLN 15 0.446 4.082 1.195
118 HB2 GLN 15 1HB GLN 15 2.727 3.836 -0.680
119 HB3 GLN 15 2HB GLN 15 1.629 5.173 -0.923
120 HG2 GLN 15 1HG GLN 15 2.857 4.565 1.771
121 HG3 GLN 15 2HG GLN 15 3.669 5.594 0.590
122 HE21 GLN 15 2HE2 GLN 15 2.328 6.252 3.282
123 HE22 GLN 15 1HE2 GLN 15 1.253 7.513 2.909
124 H ALA 16 H ALA 16 1.027 2.191 -1.774
125 HA ALA 16 HA ALA 16 -1.319 3.255 -3.097
126 HB1 ALA 16 3HB ALA 16 0.741 2.163 -4.199
127 HB2 ALA 16 1HB ALA 16 -0.842 1.754 -4.858
128 HB3 ALA 16 2HB ALA 16 -0.013 0.623 -3.786
129 H THR 17 H THR 17 -0.858 0.863 -0.698
130 HA THR 17 HA THR 17 -3.106 -0.825 -1.334
131 HB THR 17 HB THR 17 -2.971 -1.190 1.288
132 HG1 THR 17 HG1 THR 17 -1.728 0.661 1.666
133 HG21 THR 17 3HG2 THR 17 -0.902 -2.609 0.928
134 HG22 THR 17 1HG2 THR 17 -0.811 -1.927 -0.696
135 HG23 THR 17 2HG2 THR 17 -2.209 -2.889 -0.221
136 H SER 18 H SER 18 -2.690 1.967 0.812
137 HA SER 18 HA SER 18 -5.119 2.327 1.960
138 HB2 SER 18 1HB SER 18 -3.158 4.194 0.790
139 HB3 SER 18 2HB SER 18 -4.721 4.863 1.223
140 HG SER 18 HG SER 18 -2.709 3.761 2.815
141 H ILE 19 H ILE 19 -4.364 3.561 -1.285
142 HA ILE 19 HA ILE 19 -6.802 4.517 -2.127
143 HB ILE 19 HB ILE 19 -4.684 2.911 -3.556
144 HG12 ILE 19 1HG1 ILE 19 -5.305 5.874 -3.618
145 HG13 ILE 19 2HG1 ILE 19 -4.156 5.157 -2.486
146 HG21 ILE 19 1HG2 ILE 19 -5.678 4.033 -5.612
147 HG22 ILE 19 2HG2 ILE 19 -7.097 4.362 -4.619
148 HG23 ILE 19 3HG2 ILE 19 -6.602 2.700 -4.927
149 HD11 ILE 19 3HD1 ILE 19 -4.016 5.134 -5.504
150 HD12 ILE 19 1HD1 ILE 19 -2.960 4.165 -4.479
151 HD13 ILE 19 2HD1 ILE 19 -2.904 5.926 -4.391
152 H GLU 20 H GLU 20 -5.851 1.210 -1.558
153 HA GLU 20 HA GLU 20 -8.243 0.131 -2.925
154 HB2 GLU 20 1HB GLU 20 -7.142 -1.876 -2.889
155 HB3 GLU 20 2HB GLU 20 -5.740 -0.927 -2.422
156 HG2 GLU 20 1HG GLU 20 -5.861 -2.699 -0.850
157 HG3 GLU 20 2HG GLU 20 -6.492 -1.295 0.007
158 H ARG 21 H ARG 21 -7.086 0.874 0.292
159 HA ARG 21 HA ARG 21 -9.339 -0.282 1.692
160 HB2 ARG 21 1HB ARG 21 -7.222 1.737 2.450
161 HB3 ARG 21 2HB ARG 21 -8.501 1.247 3.557
162 HG2 ARG 21 1HG ARG 21 -7.651 -1.212 2.895
163 HG3 ARG 21 2HG ARG 21 -6.167 -0.341 2.520
164 HD2 ARG 21 1HD ARG 21 -7.641 -0.205 5.160
165 HD3 ARG 21 2HD ARG 21 -6.205 -1.179 4.856
166 HE ARG 21 HE ARG 21 -5.691 1.561 4.152
167 HH11 ARG 21 1HH2 ARG 21 -6.170 -0.576 6.821
168 HH12 ARG 21 2HH2 ARG 21 -5.177 0.342 7.903
169 HH21 ARG 21 1HH1 ARG 21 -4.396 2.767 5.550
170 HH22 ARG 21 2HH1 ARG 21 -4.173 2.236 7.182
171 H LEU 22 H LEU 22 -8.497 2.870 0.345
172 HA LEU 22 HA LEU 22 -10.485 4.461 1.399
173 HB2 LEU 22 1HB LEU 22 -8.848 4.402 -1.026
174 HB3 LEU 22 2HB LEU 22 -10.254 5.412 -1.155
175 HG LEU 22 HG LEU 22 -9.555 6.494 0.934
176 HD11 LEU 22 1HD1 LEU 22 -7.407 6.189 1.868
177 HD12 LEU 22 2HD1 LEU 22 -6.942 5.118 0.548
178 HD13 LEU 22 3HD1 LEU 22 -8.144 4.599 1.728
179 HD21 LEU 22 3HD2 LEU 22 -9.059 7.634 -1.078
180 HD22 LEU 22 1HD2 LEU 22 -7.717 6.548 -1.426
181 HD23 LEU 22 2HD2 LEU 22 -7.592 7.707 -0.104
182 H CYS 23 H CYS 23 -10.601 2.803 -1.689
183 HA CYS 23 HA CYS 23 -13.417 3.211 -2.073
184 HB2 CYS 23 1HB CYS 23 -12.986 1.045 -3.605
185 HB3 CYS 23 2HB CYS 23 -12.419 2.644 -4.076
186 H GLN 24 H GLN 24 -11.746 0.140 -1.256
187 HA GLN 24 HA GLN 24 -13.998 -1.370 -0.618
188 HB2 GLN 24 1HB GLN 24 -11.268 -1.360 0.695
189 HB3 GLN 24 2HB GLN 24 -12.494 -2.585 1.020
190 HG2 GLN 24 1HG GLN 24 -12.581 -3.004 -1.486
191 HG3 GLN 24 2HG GLN 24 -11.152 -1.981 -1.624
192 HE21 GLN 24 2HE2 GLN 24 -10.744 -4.558 -2.430
193 HE22 GLN 24 1HE2 GLN 24 -9.883 -5.441 -1.265
194 H HIS 25 H HIS 25 -12.523 1.199 1.292
195 HA HIS 25 HA HIS 25 -14.299 0.591 3.589
196 HB2 HIS 25 1HB HIS 25 -11.867 1.233 3.893
197 HB3 HIS 25 2HB HIS 25 -12.302 2.849 3.334
198 HD1 HIS 25 HD1 HIS 25 -14.031 0.457 5.766
199 HD2 HIS 25 HD2 HIS 25 -12.620 4.380 5.607
200 HE1 HIS 25 HE1 HIS 25 -14.634 1.528 7.984
201 HE2 HIS 25 HE2 HIS 25 -13.780 3.916 7.896
202 H TYR 26 H TYR 26 -13.475 3.580 1.767
203 HA TYR 26 HA TYR 26 -15.935 4.852 2.606
204 HB2 TYR 26 1HB TYR 26 -13.945 5.634 0.466
205 HB3 TYR 26 2HB TYR 26 -15.214 6.673 1.081
206 HD1 TYR 26 HD2 TYR 26 -15.189 6.518 3.932
207 HD2 TYR 26 HD1 TYR 26 -11.837 6.227 1.251
208 HE1 TYR 26 HE2 TYR 26 -13.663 7.202 5.753
209 HE2 TYR 26 HE1 TYR 26 -10.311 6.904 3.083
210 HH TYR 26 HH TYR 26 -10.780 6.693 6.033
211 H ILE 27 H ILE 27 -14.795 4.145 -0.730
212 HA ILE 27 HA ILE 27 -17.652 4.058 -1.568
213 HB ILE 27 HB ILE 27 -15.190 4.061 -3.320
214 HG12 ILE 27 1HG1 ILE 27 -16.141 6.600 -3.473
215 HG13 ILE 27 2HG1 ILE 27 -16.586 6.261 -1.816
216 HG21 ILE 27 1HG2 ILE 27 -16.730 4.789 -5.041
217 HG22 ILE 27 2HG2 ILE 27 -18.047 4.904 -3.873
218 HG23 ILE 27 3HG2 ILE 27 -17.383 3.328 -4.301
219 HD11 ILE 27 3HD1 ILE 27 -14.466 7.036 -1.440
220 HD12 ILE 27 1HD1 ILE 27 -13.904 6.599 -3.050
221 HD13 ILE 27 2HD1 ILE 27 -14.028 5.374 -1.797
222 H GLY 28 H GLY 28 -14.939 2.294 -3.057
223 HA2 GLY 28 1HA GLY 28 -14.816 -0.228 -2.565
224 HA3 GLY 28 2HA GLY 28 -16.561 -0.227 -2.803
225 H TRP 29 H TRP 29 -14.317 1.719 -4.685
226 HA TRP 29 HA TRP 29 -14.986 0.083 -7.116
227 HB2 TRP 29 1HB TRP 29 -15.828 2.562 -6.826
228 HB3 TRP 29 2HB TRP 29 -14.160 2.987 -7.207
229 HD1 TRP 29 HD1 TRP 29 -13.467 0.958 -9.441
230 HE1 TRP 29 HE1 TRP 29 -14.692 1.033 -11.718
231 HE3 TRP 29 HE3 TRP 29 -17.666 3.452 -8.070
232 HZ2 TRP 29 HZ2 TRP 29 -17.134 2.024 -12.795
233 HZ3 TRP 29 HZ3 TRP 29 -19.426 3.952 -9.709
234 HH2 TRP 29 HH2 TRP 29 -19.185 3.247 -12.083
235 H CYS 30 H CYS 30 -13.046 -1.225 -6.483
236 HA CYS 30 HA CYS 30 -10.613 -0.084 -7.731
237 HB2 CYS 30 1HB CYS 30 -10.723 -1.087 -4.877
238 HB3 CYS 30 2HB CYS 30 -9.221 -0.959 -5.788
239 HA PRO 31 HA PRO 31 -11.312 -4.637 -8.455
240 HB2 PRO 31 1HB PRO 31 -11.860 -4.586 -11.103
241 HB3 PRO 31 2HB PRO 31 -13.107 -4.225 -9.891
242 HG2 PRO 31 1HG PRO 31 -11.506 -2.341 -11.569
243 HG3 PRO 31 2HG PRO 31 -13.227 -2.286 -11.148
244 HD2 PRO 31 1HD PRO 31 -11.267 -0.798 -9.854
245 HD3 PRO 31 2HD PRO 31 -12.825 -1.242 -9.123
246 H PHE 32 H PHE 32 -8.809 -3.784 -8.034
247 HA PHE 32 HA PHE 32 -7.291 -5.058 -10.171
248 HB2 PHE 32 1HB PHE 32 -7.556 -2.784 -11.088
249 HB3 PHE 32 2HB PHE 32 -6.862 -2.108 -9.615
250 HD1 PHE 32 HD2 PHE 32 -6.090 -4.691 -12.231
251 HD2 PHE 32 HD1 PHE 32 -4.560 -1.678 -9.576
252 HE1 PHE 32 HE2 PHE 32 -3.815 -5.025 -13.161
253 HE2 PHE 32 HE1 PHE 32 -2.287 -2.013 -10.507
254 HZ PHE 32 HZ PHE 32 -1.914 -3.684 -12.299
255 H TRP 33 H TRP 33 -7.727 -5.298 -7.234
256 HA TRP 33 HA TRP 33 -4.872 -5.100 -6.350
257 HB2 TRP 33 1HB TRP 33 -7.412 -4.435 -4.930
258 HB3 TRP 33 2HB TRP 33 -6.089 -5.078 -3.993
259 HD1 TRP 33 HD1 TRP 33 -4.275 -3.465 -3.308
260 HE1 TRP 33 HE1 TRP 33 -3.685 -1.010 -3.859
261 HE3 TRP 33 HE3 TRP 33 -7.611 -2.586 -7.057
262 HZ2 TRP 33 HZ2 TRP 33 -4.520 1.038 -5.640
263 HZ3 TRP 33 HZ3 TRP 33 -7.701 -0.371 -8.165
264 HH2 TRP 33 HH2 TRP 33 -6.160 1.444 -7.464
Start of MODEL 9
1 H1 ASN 1 1H ASN 1 17.167 -2.648 6.959
2 H2 ASN 1 2H ASN 1 16.631 -3.595 5.655
3 H3 ASN 1 3H ASN 1 18.282 -3.549 6.052
4 HA ASN 1 HA ASN 1 17.877 -4.669 8.129
5 HB2 ASN 1 1HB ASN 1 15.006 -4.409 7.218
6 HB3 ASN 1 2HB ASN 1 15.503 -5.571 8.447
7 HD21 ASN 1 2HD2 ASN 1 13.958 -4.081 9.791
8 HD22 ASN 1 1HD2 ASN 1 14.669 -2.735 10.543
9 H GLU 2 H GLU 2 15.294 -6.329 6.712
10 HA GLU 2 HA GLU 2 16.652 -8.703 6.203
11 HB2 GLU 2 1HB GLU 2 14.157 -8.383 6.190
12 HB3 GLU 2 2HB GLU 2 14.305 -7.675 4.582
13 HG2 GLU 2 1HG GLU 2 15.063 -9.712 3.630
14 HG3 GLU 2 2HG GLU 2 15.419 -10.413 5.209
15 H LEU 3 H LEU 3 17.033 -9.693 3.996
16 HA LEU 3 HA LEU 3 18.895 -8.037 2.532
17 HB2 LEU 3 1HB LEU 3 18.871 -10.638 2.882
18 HB3 LEU 3 2HB LEU 3 17.809 -10.640 1.478
19 HG LEU 3 HG LEU 3 19.695 -9.111 0.410
20 HD11 LEU 3 1HD1 LEU 3 21.956 -9.790 1.231
21 HD12 LEU 3 2HD1 LEU 3 21.189 -10.604 2.594
22 HD13 LEU 3 3HD1 LEU 3 21.059 -8.854 2.424
23 HD21 LEU 3 3HD2 LEU 3 19.058 -11.379 -0.374
24 HD22 LEU 3 1HD2 LEU 3 20.113 -12.088 0.848
25 HD23 LEU 3 2HD2 LEU 3 20.802 -11.129 -0.462
26 H ASP 4 H ASP 4 15.865 -7.528 2.601
27 HA ASP 4 HA ASP 4 15.125 -7.609 -0.242
28 HB2 ASP 4 1HB ASP 4 13.070 -6.431 0.546
29 HB3 ASP 4 2HB ASP 4 13.371 -7.918 1.446
30 H VAL 5 H VAL 5 16.317 -6.166 -1.469
31 HA VAL 5 HA VAL 5 17.248 -3.675 -0.386
32 HB VAL 5 HB VAL 5 17.078 -4.162 -3.347
33 HG11 VAL 5 1HG1 VAL 5 19.198 -3.028 -3.360
34 HG12 VAL 5 2HG1 VAL 5 19.339 -3.158 -1.606
35 HG13 VAL 5 3HG1 VAL 5 18.120 -2.099 -2.317
36 HG21 VAL 5 3HG2 VAL 5 19.258 -5.499 -3.008
37 HG22 VAL 5 1HG2 VAL 5 17.747 -6.330 -2.639
38 HG23 VAL 5 2HG2 VAL 5 18.738 -5.685 -1.331
39 HA PRO 6 HA PRO 6 13.609 -1.856 -2.971
40 HB2 PRO 6 1HB PRO 6 11.607 -4.017 -3.070
41 HB3 PRO 6 2HB PRO 6 12.257 -3.029 -4.386
42 HG2 PRO 6 1HG PRO 6 12.846 -5.637 -4.147
43 HG3 PRO 6 2HG PRO 6 14.026 -4.460 -4.762
44 HD2 PRO 6 1HD PRO 6 13.798 -5.604 -1.983
45 HD3 PRO 6 2HD PRO 6 15.241 -5.412 -3.001
46 H GLU 7 H GLU 7 13.453 -0.803 -0.972
47 HA GLU 7 HA GLU 7 11.604 -1.868 1.065
48 HB2 GLU 7 1HB GLU 7 13.831 -0.883 1.721
49 HB3 GLU 7 2HB GLU 7 13.222 0.680 1.179
50 HG2 GLU 7 1HG GLU 7 11.379 0.551 2.783
51 HG3 GLU 7 2HG GLU 7 11.910 -1.052 3.292
52 H GLN 8 H GLN 8 12.090 1.226 -0.699
53 HA GLN 8 HA GLN 8 9.611 2.386 0.003
54 HB2 GLN 8 1HB GLN 8 11.137 2.587 -2.614
55 HB3 GLN 8 2HB GLN 8 9.775 3.621 -2.178
56 HG2 GLN 8 1HG GLN 8 11.004 4.384 -0.171
57 HG3 GLN 8 2HG GLN 8 12.375 3.377 -0.638
58 HE21 GLN 8 2HE2 GLN 8 13.847 5.116 -1.081
59 HE22 GLN 8 1HE2 GLN 8 13.607 6.217 -2.350
60 H VAL 9 H VAL 9 10.279 -0.401 -1.709
61 HA VAL 9 HA VAL 9 7.893 -0.472 -3.385
62 HB VAL 9 HB VAL 9 10.111 -2.358 -2.595
63 HG11 VAL 9 1HG1 VAL 9 7.409 -3.171 -3.648
64 HG12 VAL 9 2HG1 VAL 9 8.399 -3.945 -2.409
65 HG13 VAL 9 3HG1 VAL 9 8.842 -4.092 -4.110
66 HG21 VAL 9 3HG2 VAL 9 9.024 -1.273 -5.198
67 HG22 VAL 9 1HG2 VAL 9 10.125 -2.650 -5.156
68 HG23 VAL 9 2HG2 VAL 9 10.639 -1.091 -4.513
69 H ASP 10 H ASP 10 8.955 -2.597 -0.748
70 HA ASP 10 HA ASP 10 6.508 -3.674 0.010
71 HB2 ASP 10 1HB ASP 10 9.075 -3.040 1.405
72 HB3 ASP 10 2HB ASP 10 7.699 -3.392 2.454
73 H LYS 11 H LYS 11 7.901 -0.554 0.952
74 HA LYS 11 HA LYS 11 5.812 0.290 2.711
75 HB2 LYS 11 1HB LYS 11 7.471 2.015 0.864
76 HB3 LYS 11 2HB LYS 11 6.639 2.529 2.326
77 HG2 LYS 11 1HG LYS 11 8.309 0.307 3.077
78 HG3 LYS 11 2HG LYS 11 9.295 1.356 2.070
79 HD2 LYS 11 1HD LYS 11 9.671 2.323 4.132
80 HD3 LYS 11 2HD LYS 11 8.281 3.263 3.621
81 HE2 LYS 11 1HE LYS 11 8.320 0.903 5.513
82 HE3 LYS 11 2HE LYS 11 7.840 2.560 5.873
83 HZ1 LYS 11 3HZ LYS 11 5.821 1.569 5.561
84 HZ2 LYS 11 1HZ LYS 11 6.393 0.484 4.390
85 HZ3 LYS 11 2HZ LYS 11 6.129 2.112 3.982
86 H LEU 12 H LEU 12 6.367 0.930 -0.750
87 HA LEU 12 HA LEU 12 3.950 2.267 -1.314
88 HB2 LEU 12 1HB LEU 12 5.974 0.709 -2.810
89 HB3 LEU 12 2HB LEU 12 4.473 0.980 -3.644
90 HG LEU 12 HG LEU 12 6.496 2.676 -3.878
91 HD11 LEU 12 1HD1 LEU 12 4.334 2.945 -4.977
92 HD12 LEU 12 2HD1 LEU 12 4.874 4.494 -4.330
93 HD13 LEU 12 3HD1 LEU 12 3.630 3.571 -3.486
94 HD21 LEU 12 3HD2 LEU 12 6.334 3.033 -1.224
95 HD22 LEU 12 1HD2 LEU 12 5.124 4.217 -1.699
96 HD23 LEU 12 2HD2 LEU 12 6.774 4.338 -2.306
97 H ILE 13 H ILE 13 4.731 -1.185 -1.716
98 HA ILE 13 HA ILE 13 2.156 -2.122 -2.346
99 HB ILE 13 HB ILE 13 4.290 -3.406 -0.628
100 HG12 ILE 13 1HG1 ILE 13 3.819 -3.219 -3.605
101 HG13 ILE 13 2HG1 ILE 13 5.263 -2.796 -2.712
102 HG21 ILE 13 1HG2 ILE 13 3.273 -5.511 -1.152
103 HG22 ILE 13 2HG2 ILE 13 2.153 -4.759 -2.289
104 HG23 ILE 13 3HG2 ILE 13 1.984 -4.472 -0.559
105 HD11 ILE 13 3HD1 ILE 13 4.192 -5.544 -3.290
106 HD12 ILE 13 1HD1 ILE 13 5.411 -5.250 -2.052
107 HD13 ILE 13 2HD1 ILE 13 5.758 -4.868 -3.738
108 H GLN 14 H GLN 14 3.688 -1.970 0.854
109 HA GLN 14 HA GLN 14 1.470 -2.607 2.442
110 HB2 GLN 14 1HB GLN 14 3.887 -0.914 2.884
111 HB3 GLN 14 2HB GLN 14 2.724 -1.123 4.159
112 HG2 GLN 14 1HG GLN 14 3.989 -3.450 2.703
113 HG3 GLN 14 2HG GLN 14 4.671 -2.764 4.177
114 HE21 GLN 14 2HE2 GLN 14 3.798 -5.430 4.241
115 HE22 GLN 14 1HE2 GLN 14 2.385 -5.546 5.173
116 H GLN 15 H GLN 15 2.467 0.513 1.106
117 HA GLN 15 HA GLN 15 0.530 2.093 2.486
118 HB2 GLN 15 1HB GLN 15 2.211 2.402 0.063
119 HB3 GLN 15 2HB GLN 15 0.949 3.580 0.312
120 HG2 GLN 15 1HG GLN 15 1.872 4.236 2.432
121 HG3 GLN 15 2HG GLN 15 2.988 2.870 2.434
122 HE21 GLN 15 2HE2 GLN 15 2.285 4.930 -0.397
123 HE22 GLN 15 1HE2 GLN 15 3.850 5.573 -0.522
124 H ALA 16 H ALA 16 0.323 -0.000 -0.280
125 HA ALA 16 HA ALA 16 -1.943 1.052 -1.584
126 HB1 ALA 16 3HB ALA 16 -2.154 -1.041 -2.618
127 HB2 ALA 16 1HB ALA 16 -1.632 -1.918 -1.178
128 HB3 ALA 16 2HB ALA 16 -0.455 -1.028 -2.143
129 H THR 17 H THR 17 -1.665 -0.217 1.584
130 HA THR 17 HA THR 17 -4.237 -1.322 2.035
131 HB THR 17 HB THR 17 -3.896 -0.393 4.411
132 HG1 THR 17 HG1 THR 17 -2.591 1.333 3.996
133 HG21 THR 17 3HG2 THR 17 -1.978 -1.931 4.832
134 HG22 THR 17 1HG2 THR 17 -1.729 -2.047 3.091
135 HG23 THR 17 2HG2 THR 17 -3.220 -2.655 3.810
136 H SER 18 H SER 18 -3.145 1.991 1.755
137 HA SER 18 HA SER 18 -5.475 3.314 2.686
138 HB2 SER 18 1HB SER 18 -3.164 4.006 0.975
139 HB3 SER 18 2HB SER 18 -4.565 5.057 0.872
140 HG SER 18 HG SER 18 -4.002 5.838 2.733
141 H ILE 19 H ILE 19 -4.454 3.066 -0.706
142 HA ILE 19 HA ILE 19 -6.732 3.695 -2.052
143 HB ILE 19 HB ILE 19 -4.908 1.363 -2.681
144 HG12 ILE 19 1HG1 ILE 19 -4.751 4.287 -3.491
145 HG13 ILE 19 2HG1 ILE 19 -3.737 3.541 -2.257
146 HG21 ILE 19 1HG2 ILE 19 -6.667 3.104 -4.404
147 HG22 ILE 19 2HG2 ILE 19 -6.974 1.419 -4.000
148 HG23 ILE 19 3HG2 ILE 19 -5.589 1.847 -4.995
149 HD11 ILE 19 3HD1 ILE 19 -2.525 3.568 -4.357
150 HD12 ILE 19 1HD1 ILE 19 -3.875 2.780 -5.173
151 HD13 ILE 19 2HD1 ILE 19 -2.949 1.902 -3.954
152 H GLU 20 H GLU 20 -6.016 0.751 -0.331
153 HA GLU 20 HA GLU 20 -8.395 -0.693 -1.203
154 HB2 GLU 20 1HB GLU 20 -6.289 -1.112 0.913
155 HB3 GLU 20 2HB GLU 20 -7.785 -2.042 1.009
156 HG2 GLU 20 1HG GLU 20 -7.425 -2.991 -1.172
157 HG3 GLU 20 2HG GLU 20 -6.067 -1.906 -1.481
158 H ARG 21 H ARG 21 -7.432 0.899 1.849
159 HA ARG 21 HA ARG 21 -9.904 0.732 3.185
160 HB2 ARG 21 1HB ARG 21 -7.645 2.727 3.211
161 HB3 ARG 21 2HB ARG 21 -9.093 3.038 4.172
162 HG2 ARG 21 1HG ARG 21 -7.695 0.367 4.364
163 HG3 ARG 21 2HG ARG 21 -7.073 1.750 5.259
164 HD2 ARG 21 1HD ARG 21 -9.373 2.051 6.253
165 HD3 ARG 21 2HD ARG 21 -9.842 0.533 5.488
166 HE ARG 21 HE ARG 21 -8.257 0.786 7.887
167 HH11 ARG 21 1HH2 ARG 21 -8.709 -1.012 4.978
168 HH12 ARG 21 2HH2 ARG 21 -8.054 -2.478 5.627
169 HH21 ARG 21 1HH1 ARG 21 -7.398 -1.120 8.748
170 HH22 ARG 21 2HH1 ARG 21 -7.312 -2.539 7.759
171 H LEU 22 H LEU 22 -8.754 3.017 0.749
172 HA LEU 22 HA LEU 22 -10.944 4.783 0.738
173 HB2 LEU 22 1HB LEU 22 -8.732 4.035 -1.041
174 HB3 LEU 22 2HB LEU 22 -10.027 4.925 -1.781
175 HG LEU 22 HG LEU 22 -9.768 6.627 -0.092
176 HD11 LEU 22 1HD1 LEU 22 -7.370 5.107 0.812
177 HD12 LEU 22 2HD1 LEU 22 -8.880 5.245 1.709
178 HD13 LEU 22 3HD1 LEU 22 -7.897 6.673 1.420
179 HD21 LEU 22 3HD2 LEU 22 -7.812 7.643 -0.991
180 HD22 LEU 22 1HD2 LEU 22 -8.504 6.643 -2.267
181 HD23 LEU 22 2HD2 LEU 22 -7.114 6.064 -1.351
182 H CYS 23 H CYS 23 -10.141 2.347 -1.672
183 HA CYS 23 HA CYS 23 -12.531 2.247 -3.087
184 HB2 CYS 23 1HB CYS 23 -11.834 0.162 -3.929
185 HB3 CYS 23 2HB CYS 23 -10.324 0.907 -3.418
186 H GLN 24 H GLN 24 -12.018 1.263 0.176
187 HA GLN 24 HA GLN 24 -14.498 -0.372 0.236
188 HB2 GLN 24 1HB GLN 24 -12.348 0.218 2.282
189 HB3 GLN 24 2HB GLN 24 -13.821 -0.673 2.669
190 HG2 GLN 24 1HG GLN 24 -13.271 -2.285 0.832
191 HG3 GLN 24 2HG GLN 24 -11.737 -1.443 0.603
192 HE21 GLN 24 2HE2 GLN 24 -10.084 -2.574 1.622
193 HE22 GLN 24 1HE2 GLN 24 -10.220 -3.366 3.117
194 H HIS 25 H HIS 25 -13.301 2.789 1.180
195 HA HIS 25 HA HIS 25 -15.758 3.340 2.763
196 HB2 HIS 25 1HB HIS 25 -13.513 4.043 3.611
197 HB3 HIS 25 2HB HIS 25 -13.373 5.129 2.228
198 HD1 HIS 25 HD1 HIS 25 -13.303 6.766 4.578
199 HD2 HIS 25 HD2 HIS 25 -16.978 5.336 3.215
200 HE1 HIS 25 HE1 HIS 25 -15.078 8.263 5.595
201 HE2 HIS 25 HE2 HIS 25 -17.318 7.400 4.773
202 H TYR 26 H TYR 26 -13.954 5.313 0.397
203 HA TYR 26 HA TYR 26 -16.133 6.938 -0.348
204 HB2 TYR 26 1HB TYR 26 -13.649 6.147 -1.873
205 HB3 TYR 26 2HB TYR 26 -14.743 7.419 -2.393
206 HD1 TYR 26 HD2 TYR 26 -15.151 9.402 -0.802
207 HD2 TYR 26 HD1 TYR 26 -12.041 6.516 -0.207
208 HE1 TYR 26 HE2 TYR 26 -13.994 10.964 0.742
209 HE2 TYR 26 HE1 TYR 26 -10.870 8.065 1.340
210 HH TYR 26 HH TYR 26 -11.027 9.998 2.455
211 H ILE 27 H ILE 27 -14.751 4.269 -2.300
212 HA ILE 27 HA ILE 27 -17.218 4.256 -3.928
213 HB ILE 27 HB ILE 27 -14.736 2.576 -4.309
214 HG12 ILE 27 1HG1 ILE 27 -14.542 4.660 -6.128
215 HG13 ILE 27 2HG1 ILE 27 -15.216 5.494 -4.742
216 HG21 ILE 27 1HG2 ILE 27 -15.524 2.323 -6.553
217 HG22 ILE 27 2HG2 ILE 27 -16.744 3.578 -6.342
218 HG23 ILE 27 3HG2 ILE 27 -16.919 2.030 -5.516
219 HD11 ILE 27 3HD1 ILE 27 -13.376 4.386 -3.365
220 HD12 ILE 27 1HD1 ILE 27 -12.863 5.639 -4.490
221 HD13 ILE 27 2HD1 ILE 27 -12.636 3.938 -4.897
222 H GLY 28 H GLY 28 -15.618 2.258 -1.519
223 HA2 GLY 28 1HA GLY 28 -16.596 0.465 -0.310
224 HA3 GLY 28 2HA GLY 28 -18.039 0.625 -1.307
225 H TRP 29 H TRP 29 -16.962 0.334 -3.854
226 HA TRP 29 HA TRP 29 -16.645 -2.535 -3.993
227 HB2 TRP 29 1HB TRP 29 -16.698 -0.259 -5.944
228 HB3 TRP 29 2HB TRP 29 -15.963 -1.760 -6.501
229 HD1 TRP 29 HD1 TRP 29 -19.116 -1.204 -4.297
230 HE1 TRP 29 HE1 TRP 29 -21.053 -2.515 -5.403
231 HE3 TRP 29 HE3 TRP 29 -16.725 -2.967 -8.418
232 HZ2 TRP 29 HZ2 TRP 29 -21.510 -4.098 -7.726
233 HZ3 TRP 29 HZ3 TRP 29 -17.906 -4.364 -10.056
234 HH2 TRP 29 HH2 TRP 29 -20.303 -4.945 -9.734
235 H CYS 30 H CYS 30 -14.766 -3.699 -4.686
236 HA CYS 30 HA CYS 30 -12.181 -2.305 -4.854
237 HB2 CYS 30 1HB CYS 30 -12.767 -4.279 -2.629
238 HB3 CYS 30 2HB CYS 30 -11.188 -3.580 -2.987
239 HA PRO 31 HA PRO 31 -12.307 -5.680 -7.950
240 HB2 PRO 31 1HB PRO 31 -9.373 -5.002 -7.742
241 HB3 PRO 31 2HB PRO 31 -10.323 -5.424 -9.182
242 HG2 PRO 31 1HG PRO 31 -9.795 -2.896 -8.645
243 HG3 PRO 31 2HG PRO 31 -11.405 -3.370 -9.223
244 HD2 PRO 31 1HD PRO 31 -10.569 -2.528 -6.484
245 HD3 PRO 31 2HD PRO 31 -12.154 -2.363 -7.273
246 H PHE 32 H PHE 32 -9.084 -6.275 -6.612
247 HA PHE 32 HA PHE 32 -9.883 -8.149 -4.595
248 HB2 PHE 32 1HB PHE 32 -10.728 -9.476 -6.460
249 HB3 PHE 32 2HB PHE 32 -9.201 -9.297 -7.322
250 HD1 PHE 32 HD1 PHE 32 -10.507 -10.442 -3.993
251 HD2 PHE 32 HD2 PHE 32 -7.608 -11.008 -7.114
252 HE1 PHE 32 HE1 PHE 32 -9.621 -12.433 -2.810
253 HE2 PHE 32 HE2 PHE 32 -6.725 -12.998 -5.931
254 HZ PHE 32 HZ PHE 32 -7.729 -13.711 -3.779
255 H TRP 33 H TRP 33 -8.031 -6.547 -3.980
256 HA TRP 33 HA TRP 33 -5.425 -6.675 -4.944
257 HB2 TRP 33 1HB TRP 33 -6.604 -6.219 -2.257
258 HB3 TRP 33 2HB TRP 33 -4.884 -6.520 -2.305
259 HD1 TRP 33 HD1 TRP 33 -3.370 -4.668 -3.091
260 HE1 TRP 33 HE1 TRP 33 -3.708 -2.231 -3.877
261 HE3 TRP 33 HE3 TRP 33 -8.446 -4.615 -3.628
262 HZ2 TRP 33 HZ2 TRP 33 -5.829 -0.507 -4.618
263 HZ3 TRP 33 HZ3 TRP 33 -9.599 -2.555 -4.370
264 HH2 TRP 33 HH2 TRP 33 -8.303 -0.500 -4.869
Start of MODEL 10
1 H1 ASN 1 1H ASN 1 18.537 -6.976 7.958
2 H2 ASN 1 2H ASN 1 17.445 -6.622 6.705
3 H3 ASN 1 3H ASN 1 18.969 -7.281 6.347
4 HA ASN 1 HA ASN 1 18.398 -9.380 6.978
5 HB2 ASN 1 1HB ASN 1 16.451 -9.768 8.554
6 HB3 ASN 1 2HB ASN 1 17.804 -8.887 9.261
7 HD21 ASN 1 2HD2 ASN 1 14.707 -8.214 7.526
8 HD22 ASN 1 1HD2 ASN 1 14.353 -6.808 8.407
9 H GLU 2 H GLU 2 15.881 -6.974 6.314
10 HA GLU 2 HA GLU 2 13.870 -8.543 5.198
11 HB2 GLU 2 1HB GLU 2 13.653 -6.531 3.518
12 HB3 GLU 2 2HB GLU 2 13.397 -6.248 5.241
13 HG2 GLU 2 1HG GLU 2 15.595 -5.351 5.523
14 HG3 GLU 2 2HG GLU 2 16.101 -5.904 3.928
15 H LEU 3 H LEU 3 14.274 -10.276 3.884
16 HA LEU 3 HA LEU 3 16.450 -10.485 2.062
17 HB2 LEU 3 1HB LEU 3 14.799 -12.318 2.946
18 HB3 LEU 3 2HB LEU 3 13.797 -11.844 1.578
19 HG LEU 3 HG LEU 3 16.046 -12.140 0.201
20 HD11 LEU 3 1HD1 LEU 3 16.510 -13.885 2.644
21 HD12 LEU 3 2HD1 LEU 3 17.519 -12.537 2.118
22 HD13 LEU 3 3HD1 LEU 3 17.422 -14.000 1.140
23 HD21 LEU 3 3HD2 LEU 3 14.376 -14.438 1.268
24 HD22 LEU 3 1HD2 LEU 3 15.476 -14.570 -0.106
25 HD23 LEU 3 2HD2 LEU 3 14.075 -13.503 -0.197
26 H ASP 4 H ASP 4 13.873 -8.416 2.005
27 HA ASP 4 HA ASP 4 13.825 -8.194 -0.984
28 HB2 ASP 4 1HB ASP 4 11.735 -6.988 -0.709
29 HB3 ASP 4 2HB ASP 4 11.628 -8.491 0.204
30 H VAL 5 H VAL 5 15.139 -6.612 -1.737
31 HA VAL 5 HA VAL 5 16.197 -4.575 0.031
32 HB VAL 5 HB VAL 5 16.534 -4.525 -2.959
33 HG11 VAL 5 1HG1 VAL 5 18.642 -3.579 -2.460
34 HG12 VAL 5 2HG1 VAL 5 18.611 -4.166 -0.798
35 HG13 VAL 5 3HG1 VAL 5 17.556 -2.839 -1.285
36 HG21 VAL 5 3HG2 VAL 5 17.679 -6.519 -0.992
37 HG22 VAL 5 1HG2 VAL 5 18.445 -6.175 -2.544
38 HG23 VAL 5 2HG2 VAL 5 16.817 -6.856 -2.494
39 HA PRO 6 HA PRO 6 13.328 -1.965 -3.167
40 HB2 PRO 6 1HB PRO 6 11.056 -3.830 -2.569
41 HB3 PRO 6 2HB PRO 6 11.338 -2.814 -4.001
42 HG2 PRO 6 1HG PRO 6 11.851 -5.360 -4.154
43 HG3 PRO 6 2HG PRO 6 13.048 -4.206 -4.783
44 HD2 PRO 6 1HD PRO 6 13.080 -5.728 -2.195
45 HD3 PRO 6 2HD PRO 6 14.423 -5.404 -3.315
46 H GLU 7 H GLU 7 13.290 -0.286 -1.752
47 HA GLU 7 HA GLU 7 11.879 -0.558 0.826
48 HB2 GLU 7 1HB GLU 7 12.974 1.508 1.472
49 HB3 GLU 7 2HB GLU 7 14.174 0.422 0.776
50 HG2 GLU 7 1HG GLU 7 13.644 1.644 -1.468
51 HG3 GLU 7 2HG GLU 7 12.937 2.891 -0.437
52 H GLN 8 H GLN 8 11.921 1.858 -1.879
53 HA GLN 8 HA GLN 8 9.589 3.210 -0.975
54 HB2 GLN 8 1HB GLN 8 10.368 2.762 -3.878
55 HB3 GLN 8 2HB GLN 8 9.282 4.009 -3.267
56 HG2 GLN 8 1HG GLN 8 11.237 5.257 -3.395
57 HG3 GLN 8 2HG GLN 8 11.416 4.628 -1.758
58 HE21 GLN 8 2HE2 GLN 8 11.917 2.936 -4.901
59 HE22 GLN 8 1HE2 GLN 8 13.544 2.549 -4.605
60 H VAL 9 H VAL 9 10.018 0.091 -1.982
61 HA VAL 9 HA VAL 9 7.344 -0.338 -3.078
62 HB VAL 9 HB VAL 9 9.780 -1.994 -2.471
63 HG11 VAL 9 1HG1 VAL 9 8.114 -3.443 -1.539
64 HG12 VAL 9 2HG1 VAL 9 8.401 -4.045 -3.171
65 HG13 VAL 9 3HG1 VAL 9 6.969 -3.075 -2.829
66 HG21 VAL 9 3HG2 VAL 9 8.035 -1.503 -4.897
67 HG22 VAL 9 1HG2 VAL 9 9.217 -2.809 -4.852
68 HG23 VAL 9 2HG2 VAL 9 9.746 -1.137 -4.678
69 H ASP 10 H ASP 10 9.085 -1.711 -0.281
70 HA ASP 10 HA ASP 10 6.918 -2.667 1.181
71 HB2 ASP 10 1HB ASP 10 9.210 -3.011 1.940
72 HB3 ASP 10 2HB ASP 10 9.415 -1.281 2.218
73 H LYS 11 H LYS 11 8.178 0.664 1.106
74 HA LYS 11 HA LYS 11 6.313 1.730 3.005
75 HB2 LYS 11 1HB LYS 11 8.021 2.883 0.810
76 HB3 LYS 11 2HB LYS 11 6.758 3.900 1.503
77 HG2 LYS 11 1HG LYS 11 8.830 4.285 2.716
78 HG3 LYS 11 2HG LYS 11 7.699 3.447 3.775
79 HD2 LYS 11 1HD LYS 11 8.798 1.302 3.273
80 HD3 LYS 11 2HD LYS 11 9.916 2.125 2.185
81 HE2 LYS 11 1HE LYS 11 10.631 3.553 4.141
82 HE3 LYS 11 2HE LYS 11 9.664 2.505 5.178
83 HZ1 LYS 11 3HZ LYS 11 11.564 1.344 5.305
84 HZ2 LYS 11 1HZ LYS 11 12.195 1.987 3.869
85 HZ3 LYS 11 2HZ LYS 11 11.078 0.710 3.805
86 H LEU 12 H LEU 12 6.259 1.583 -0.554
87 HA LEU 12 HA LEU 12 3.676 2.651 -0.944
88 HB2 LEU 12 1HB LEU 12 5.539 0.884 -2.410
89 HB3 LEU 12 2HB LEU 12 3.897 0.903 -2.993
90 HG LEU 12 HG LEU 12 5.679 2.571 -3.974
91 HD11 LEU 12 1HD1 LEU 12 3.886 4.223 -4.411
92 HD12 LEU 12 2HD1 LEU 12 2.912 3.481 -3.143
93 HD13 LEU 12 3HD1 LEU 12 3.314 2.565 -4.596
94 HD21 LEU 12 3HD2 LEU 12 6.178 4.522 -2.857
95 HD22 LEU 12 1HD2 LEU 12 6.063 3.449 -1.476
96 HD23 LEU 12 2HD2 LEU 12 4.709 4.490 -1.883
97 H ILE 13 H ILE 13 4.683 -0.775 -0.744
98 HA ILE 13 HA ILE 13 2.154 -1.960 -0.671
99 HB ILE 13 HB ILE 13 4.615 -2.694 0.920
100 HG12 ILE 13 1HG1 ILE 13 3.650 -3.278 -1.886
101 HG13 ILE 13 2HG1 ILE 13 5.183 -2.596 -1.394
102 HG21 ILE 13 1HG2 ILE 13 2.473 -3.792 1.678
103 HG22 ILE 13 2HG2 ILE 13 3.669 -4.919 1.059
104 HG23 ILE 13 3HG2 ILE 13 2.298 -4.445 0.051
105 HD11 ILE 13 3HD1 ILE 13 4.248 -5.434 -1.079
106 HD12 ILE 13 1HD1 ILE 13 5.638 -4.794 -0.205
107 HD13 ILE 13 2HD1 ILE 13 5.652 -4.844 -1.968
108 H GLN 14 H GLN 14 4.086 -0.930 2.143
109 HA GLN 14 HA GLN 14 2.190 -1.284 4.160
110 HB2 GLN 14 1HB GLN 14 4.454 0.582 3.715
111 HB3 GLN 14 2HB GLN 14 3.387 0.963 5.042
112 HG2 GLN 14 1HG GLN 14 3.802 -1.188 6.072
113 HG3 GLN 14 2HG GLN 14 4.696 -1.742 4.656
114 HE21 GLN 14 2HE2 GLN 14 6.246 -1.966 6.799
115 HE22 GLN 14 1HE2 GLN 14 7.329 -0.673 6.982
116 H GLN 15 H GLN 15 2.466 1.255 1.762
117 HA GLN 15 HA GLN 15 0.207 2.761 2.856
118 HB2 GLN 15 1HB GLN 15 2.148 3.086 0.632
119 HB3 GLN 15 2HB GLN 15 0.686 4.042 0.592
120 HG2 GLN 15 1HG GLN 15 2.555 3.928 2.972
121 HG3 GLN 15 2HG GLN 15 2.659 5.165 1.718
122 HE21 GLN 15 2HE2 GLN 15 0.900 6.739 1.572
123 HE22 GLN 15 1HE2 GLN 15 -0.218 6.931 2.836
124 H ALA 16 H ALA 16 0.677 0.111 0.800
125 HA ALA 16 HA ALA 16 -1.537 0.619 -1.022
126 HB1 ALA 16 3HB ALA 16 -1.224 -1.733 -1.685
127 HB2 ALA 16 1HB ALA 16 -0.144 -1.987 -0.316
128 HB3 ALA 16 2HB ALA 16 0.324 -0.895 -1.622
129 H THR 17 H THR 17 -1.307 -0.292 2.230
130 HA THR 17 HA THR 17 -3.703 -1.956 2.327
131 HB THR 17 HB THR 17 -3.496 -1.428 4.841
132 HG1 THR 17 HG1 THR 17 -0.892 -0.680 4.409
133 HG21 THR 17 3HG2 THR 17 -1.310 -2.759 3.239
134 HG22 THR 17 1HG2 THR 17 -2.671 -3.521 4.062
135 HG23 THR 17 2HG2 THR 17 -1.354 -2.816 5.001
136 H SER 18 H SER 18 -3.062 1.292 1.900
137 HA SER 18 HA SER 18 -5.516 2.286 3.185
138 HB2 SER 18 1HB SER 18 -3.060 3.477 2.057
139 HB3 SER 18 2HB SER 18 -4.516 4.456 1.987
140 HG SER 18 HG SER 18 -4.417 4.696 4.077
141 H ILE 19 H ILE 19 -4.056 2.961 0.019
142 HA ILE 19 HA ILE 19 -6.159 3.858 -1.427
143 HB ILE 19 HB ILE 19 -4.106 1.828 -2.359
144 HG12 ILE 19 1HG1 ILE 19 -4.110 4.868 -2.250
145 HG13 ILE 19 2HG1 ILE 19 -3.119 3.804 -1.255
146 HG21 ILE 19 1HG2 ILE 19 -5.710 3.904 -3.856
147 HG22 ILE 19 2HG2 ILE 19 -6.012 2.172 -3.896
148 HG23 ILE 19 3HG2 ILE 19 -4.517 2.814 -4.556
149 HD11 ILE 19 3HD1 ILE 19 -1.744 4.557 -3.072
150 HD12 ILE 19 1HD1 ILE 19 -2.996 4.160 -4.249
151 HD13 ILE 19 2HD1 ILE 19 -2.151 2.871 -3.391
152 H GLU 20 H GLU 20 -5.611 0.565 -0.416
153 HA GLU 20 HA GLU 20 -7.804 -0.518 -2.033
154 HB2 GLU 20 1HB GLU 20 -7.365 -2.612 -1.004
155 HB3 GLU 20 2HB GLU 20 -5.784 -1.849 -1.128
156 HG2 GLU 20 1HG GLU 20 -6.107 -1.024 1.250
157 HG3 GLU 20 2HG GLU 20 -7.538 -2.055 1.334
158 H ARG 21 H ARG 21 -7.311 0.339 1.373
159 HA ARG 21 HA ARG 21 -9.933 -0.228 2.313
160 HB2 ARG 21 1HB ARG 21 -7.667 1.549 3.146
161 HB3 ARG 21 2HB ARG 21 -9.230 1.822 3.912
162 HG2 ARG 21 1HG ARG 21 -8.319 -1.028 3.794
163 HG3 ARG 21 2HG ARG 21 -7.391 0.031 4.849
164 HD2 ARG 21 1HD ARG 21 -10.411 -0.082 4.962
165 HD3 ARG 21 2HD ARG 21 -9.390 -1.161 5.914
166 HE ARG 21 HE ARG 21 -8.767 1.705 6.176
167 HH11 ARG 21 1HH2 ARG 21 -10.470 -1.066 7.340
168 HH12 ARG 21 2HH2 ARG 21 -10.647 -0.441 8.945
169 HH21 ARG 21 1HH1 ARG 21 -8.991 2.527 8.263
170 HH22 ARG 21 2HH1 ARG 21 -9.812 1.590 9.467
171 H LEU 22 H LEU 22 -8.524 2.647 0.786
172 HA LEU 22 HA LEU 22 -10.665 4.416 0.988
173 HB2 LEU 22 1HB LEU 22 -8.349 4.023 -0.774
174 HB3 LEU 22 2HB LEU 22 -9.573 5.082 -1.401
175 HG LEU 22 HG LEU 22 -9.452 6.352 0.659
176 HD11 LEU 22 1HD1 LEU 22 -7.466 5.974 2.136
177 HD12 LEU 22 2HD1 LEU 22 -7.292 4.429 1.316
178 HD13 LEU 22 3HD1 LEU 22 -8.750 4.772 2.240
179 HD21 LEU 22 3HD2 LEU 22 -8.170 7.216 -1.130
180 HD22 LEU 22 1HD2 LEU 22 -6.931 5.985 -0.904
181 HD23 LEU 22 2HD2 LEU 22 -7.117 7.272 0.284
182 H CYS 23 H CYS 23 -9.836 2.413 -1.784
183 HA CYS 23 HA CYS 23 -12.140 2.882 -3.308
184 HB2 CYS 23 1HB CYS 23 -11.553 1.007 -4.615
185 HB3 CYS 23 2HB CYS 23 -10.017 1.496 -3.905
186 H GLN 24 H GLN 24 -11.710 0.174 -0.978
187 HA GLN 24 HA GLN 24 -14.359 -0.831 -1.274
188 HB2 GLN 24 1HB GLN 24 -12.412 -0.972 1.040
189 HB3 GLN 24 2HB GLN 24 -13.948 -1.840 1.014
190 HG2 GLN 24 1HG GLN 24 -13.245 -2.895 -1.154
191 HG3 GLN 24 2HG GLN 24 -11.666 -2.138 -0.955
192 HE21 GLN 24 2HE2 GLN 24 -11.127 -4.642 -0.973
193 HE22 GLN 24 1HE2 GLN 24 -11.084 -5.392 0.549
194 H HIS 25 H HIS 25 -13.131 1.914 0.487
195 HA HIS 25 HA HIS 25 -15.656 2.181 2.029
196 HB2 HIS 25 1HB HIS 25 -13.394 2.588 3.078
197 HB3 HIS 25 2HB HIS 25 -13.242 4.007 2.040
198 HD1 HIS 25 HD1 HIS 25 -14.268 3.177 5.329
199 HD2 HIS 25 HD2 HIS 25 -15.834 5.687 2.389
200 HE1 HIS 25 HE1 HIS 25 -15.808 4.801 6.519
201 HE2 HIS 25 HE2 HIS 25 -16.765 6.334 4.738
202 H TYR 26 H TYR 26 -13.719 4.128 -0.285
203 HA TYR 26 HA TYR 26 -16.046 5.920 -0.670
204 HB2 TYR 26 1HB TYR 26 -13.226 6.118 -1.755
205 HB3 TYR 26 2HB TYR 26 -14.457 7.376 -1.770
206 HD1 TYR 26 HD1 TYR 26 -15.585 7.818 0.634
207 HD2 TYR 26 HD2 TYR 26 -11.660 6.204 -0.013
208 HE1 TYR 26 HE1 TYR 26 -14.925 8.506 2.923
209 HE2 TYR 26 HE2 TYR 26 -10.998 6.883 2.283
210 HH TYR 26 HH TYR 26 -11.994 7.434 4.391
211 H ILE 27 H ILE 27 -13.629 4.856 -3.090
212 HA ILE 27 HA ILE 27 -15.485 5.005 -5.225
213 HB ILE 27 HB ILE 27 -13.170 3.094 -5.348
214 HG12 ILE 27 1HG1 ILE 27 -12.164 4.945 -4.205
215 HG13 ILE 27 2HG1 ILE 27 -11.735 5.098 -5.904
216 HG21 ILE 27 1HG2 ILE 27 -14.619 3.389 -7.319
217 HG22 ILE 27 2HG2 ILE 27 -12.982 3.972 -7.619
218 HG23 ILE 27 3HG2 ILE 27 -14.279 5.119 -7.287
219 HD11 ILE 27 3HD1 ILE 27 -12.431 7.244 -5.390
220 HD12 ILE 27 1HD1 ILE 27 -13.676 6.677 -4.287
221 HD13 ILE 27 2HD1 ILE 27 -13.914 6.538 -6.027
222 H GLY 28 H GLY 28 -14.046 1.849 -4.410
223 HA2 GLY 28 1HA GLY 28 -15.790 0.166 -3.450
224 HA3 GLY 28 2HA GLY 28 -16.727 0.607 -4.880
225 H TRP 29 H TRP 29 -15.152 0.588 -6.953
226 HA TRP 29 HA TRP 29 -14.456 -2.162 -7.374
227 HB2 TRP 29 1HB TRP 29 -15.066 -0.338 -9.123
228 HB3 TRP 29 2HB TRP 29 -13.363 0.122 -9.029
229 HD1 TRP 29 HD1 TRP 29 -15.462 -3.082 -9.721
230 HE1 TRP 29 HE1 TRP 29 -14.101 -4.514 -11.397
231 HE3 TRP 29 HE3 TRP 29 -11.290 -0.238 -10.076
232 HZ2 TRP 29 HZ2 TRP 29 -11.570 -4.438 -12.707
233 HZ3 TRP 29 HZ3 TRP 29 -9.420 -0.903 -11.526
234 HH2 TRP 29 HH2 TRP 29 -9.533 -3.007 -12.854
235 H CYS 30 H CYS 30 -12.428 -3.179 -7.322
236 HA CYS 30 HA CYS 30 -10.010 -1.604 -6.779
237 HB2 CYS 30 1HB CYS 30 -10.645 -3.782 -4.794
238 HB3 CYS 30 2HB CYS 30 -9.555 -2.413 -4.629
239 HA PRO 31 HA PRO 31 -8.767 -4.867 -9.643
240 HB2 PRO 31 1HB PRO 31 -6.173 -4.369 -8.186
241 HB3 PRO 31 2HB PRO 31 -6.445 -4.650 -9.916
242 HG2 PRO 31 1HG PRO 31 -6.101 -2.193 -8.986
243 HG3 PRO 31 2HG PRO 31 -7.296 -2.524 -10.256
244 HD2 PRO 31 1HD PRO 31 -7.755 -1.872 -7.381
245 HD3 PRO 31 2HD PRO 31 -8.815 -1.596 -8.780
246 H PHE 32 H PHE 32 -6.410 -5.711 -7.137
247 HA PHE 32 HA PHE 32 -8.167 -7.743 -5.963
248 HB2 PHE 32 1HB PHE 32 -5.784 -8.594 -7.639
249 HB3 PHE 32 2HB PHE 32 -6.841 -9.661 -6.717
250 HD1 PHE 32 HD2 PHE 32 -9.265 -9.872 -7.360
251 HD2 PHE 32 HD1 PHE 32 -6.412 -7.780 -9.798
252 HE1 PHE 32 HE2 PHE 32 -10.819 -10.001 -9.290
253 HE2 PHE 32 HE1 PHE 32 -7.966 -7.911 -11.727
254 HZ PHE 32 HZ PHE 32 -10.168 -9.021 -11.473
255 H TRP 33 H TRP 33 -7.054 -5.898 -4.395
256 HA TRP 33 HA TRP 33 -4.356 -6.344 -3.572
257 HB2 TRP 33 1HB TRP 33 -6.735 -5.044 -2.363
258 HB3 TRP 33 2HB TRP 33 -5.441 -5.455 -1.269
259 HD1 TRP 33 HD1 TRP 33 -3.028 -4.455 -1.898
260 HE1 TRP 33 HE1 TRP 33 -2.401 -2.175 -2.946
261 HE3 TRP 33 HE3 TRP 33 -7.492 -3.209 -3.968
262 HZ2 TRP 33 HZ2 TRP 33 -3.644 -0.105 -4.444
263 HZ3 TRP 33 HZ3 TRP 33 -7.757 -1.071 -5.204
264 HH2 TRP 33 HH2 TRP 33 -5.840 0.473 -5.455
Start of MODEL 11
1 H1 ASN 1 1H ASN 1 20.685 -11.423 1.626
2 H2 ASN 1 2H ASN 1 21.074 -13.045 1.954
3 H3 ASN 1 3H ASN 1 21.381 -11.843 3.115
4 HA ASN 1 HA ASN 1 19.197 -13.421 3.072
5 HB2 ASN 1 1HB ASN 1 18.308 -11.833 4.729
6 HB3 ASN 1 2HB ASN 1 20.045 -12.047 4.956
7 HD21 ASN 1 2HD2 ASN 1 17.776 -9.657 4.958
8 HD22 ASN 1 1HD2 ASN 1 18.716 -8.356 4.404
9 H GLU 2 H GLU 2 17.129 -11.265 3.488
10 HA GLU 2 HA GLU 2 15.847 -11.455 0.946
11 HB2 GLU 2 1HB GLU 2 14.436 -9.486 1.943
12 HB3 GLU 2 2HB GLU 2 14.385 -11.059 2.738
13 HG2 GLU 2 1HG GLU 2 15.867 -10.368 4.457
14 HG3 GLU 2 2HG GLU 2 16.376 -8.940 3.557
15 H LEU 3 H LEU 3 17.086 -10.658 -0.756
16 HA LEU 3 HA LEU 3 18.453 -8.109 -0.607
17 HB2 LEU 3 1HB LEU 3 18.566 -10.323 -2.275
18 HB3 LEU 3 2HB LEU 3 17.795 -9.138 -3.316
19 HG LEU 3 HG LEU 3 20.234 -9.105 -3.594
20 HD11 LEU 3 1HD1 LEU 3 19.075 -6.650 -2.253
21 HD12 LEU 3 2HD1 LEU 3 19.128 -7.008 -3.976
22 HD13 LEU 3 3HD1 LEU 3 20.619 -6.669 -3.101
23 HD21 LEU 3 3HD2 LEU 3 21.764 -8.966 -1.892
24 HD22 LEU 3 1HD2 LEU 3 20.460 -9.695 -0.958
25 HD23 LEU 3 2HD2 LEU 3 20.736 -7.955 -0.880
26 H ASP 4 H ASP 4 15.378 -8.527 -0.303
27 HA ASP 4 HA ASP 4 13.864 -7.323 -2.272
28 HB2 ASP 4 1HB ASP 4 12.412 -6.444 -0.473
29 HB3 ASP 4 2HB ASP 4 12.921 -8.099 -0.133
30 H VAL 5 H VAL 5 15.072 -5.750 -3.440
31 HA VAL 5 HA VAL 5 16.194 -3.443 -2.104
32 HB VAL 5 HB VAL 5 15.589 -3.535 -5.054
33 HG11 VAL 5 1HG1 VAL 5 17.953 -2.504 -3.463
34 HG12 VAL 5 2HG1 VAL 5 16.609 -1.508 -4.024
35 HG13 VAL 5 3HG1 VAL 5 17.679 -2.285 -5.192
36 HG21 VAL 5 3HG2 VAL 5 17.758 -5.034 -3.556
37 HG22 VAL 5 1HG2 VAL 5 17.780 -4.752 -5.297
38 HG23 VAL 5 2HG2 VAL 5 16.502 -5.732 -4.579
39 HA PRO 6 HA PRO 6 12.063 -1.591 -4.240
40 HB2 PRO 6 1HB PRO 6 10.422 -3.813 -3.075
41 HB3 PRO 6 2HB PRO 6 10.140 -2.837 -4.533
42 HG2 PRO 6 1HG PRO 6 11.049 -5.268 -4.792
43 HG3 PRO 6 2HG PRO 6 11.785 -3.961 -5.745
44 HD2 PRO 6 1HD PRO 6 12.815 -5.286 -3.255
45 HD3 PRO 6 2HD PRO 6 13.706 -4.806 -4.716
46 H GLU 7 H GLU 7 12.166 0.067 -2.812
47 HA GLU 7 HA GLU 7 11.533 -0.370 0.041
48 HB2 GLU 7 1HB GLU 7 12.677 1.976 -1.490
49 HB3 GLU 7 2HB GLU 7 12.198 2.093 0.203
50 HG2 GLU 7 1HG GLU 7 14.137 0.011 -0.831
51 HG3 GLU 7 2HG GLU 7 14.647 1.563 -0.171
52 H GLN 8 H GLN 8 10.585 2.021 -2.485
53 HA GLN 8 HA GLN 8 8.316 2.988 -1.101
54 HB2 GLN 8 1HB GLN 8 8.828 2.705 -4.074
55 HB3 GLN 8 2HB GLN 8 7.377 3.477 -3.424
56 HG2 GLN 8 1HG GLN 8 9.187 5.118 -3.956
57 HG3 GLN 8 2HG GLN 8 8.734 5.131 -2.251
58 HE21 GLN 8 2HE2 GLN 8 10.745 5.672 -1.285
59 HE22 GLN 8 1HE2 GLN 8 12.153 4.742 -1.469
60 H VAL 9 H VAL 9 8.953 -0.071 -2.237
61 HA VAL 9 HA VAL 9 6.179 -0.859 -2.737
62 HB VAL 9 HB VAL 9 8.867 -2.216 -2.696
63 HG11 VAL 9 1HG1 VAL 9 7.576 -4.397 -3.173
64 HG12 VAL 9 2HG1 VAL 9 6.170 -3.584 -2.488
65 HG13 VAL 9 3HG1 VAL 9 7.603 -3.853 -1.496
66 HG21 VAL 9 3HG2 VAL 9 8.301 -1.361 -4.828
67 HG22 VAL 9 1HG2 VAL 9 6.623 -1.891 -4.704
68 HG23 VAL 9 2HG2 VAL 9 7.905 -3.075 -4.936
69 H ASP 10 H ASP 10 8.645 -2.021 -0.453
70 HA ASP 10 HA ASP 10 7.025 -3.240 1.442
71 HB2 ASP 10 1HB ASP 10 9.406 -3.357 1.697
72 HB3 ASP 10 2HB ASP 10 9.558 -1.602 1.780
73 H LYS 11 H LYS 11 7.547 0.231 0.980
74 HA LYS 11 HA LYS 11 6.146 0.996 3.386
75 HB2 LYS 11 1HB LYS 11 7.635 2.618 2.636
76 HB3 LYS 11 2HB LYS 11 7.265 2.322 0.941
77 HG2 LYS 11 1HG LYS 11 5.403 3.672 0.961
78 HG3 LYS 11 2HG LYS 11 5.065 3.391 2.663
79 HD2 LYS 11 1HD LYS 11 6.722 4.901 3.375
80 HD3 LYS 11 2HD LYS 11 7.508 4.924 1.797
81 HE2 LYS 11 1HE LYS 11 5.807 6.251 0.833
82 HE3 LYS 11 2HE LYS 11 4.671 5.897 2.134
83 HZ1 LYS 11 3HZ LYS 11 6.483 8.018 1.952
84 HZ2 LYS 11 1HZ LYS 11 6.967 7.042 3.251
85 HZ3 LYS 11 2HZ LYS 11 5.390 7.674 3.207
86 H LEU 12 H LEU 12 5.371 0.877 -0.098
87 HA LEU 12 HA LEU 12 2.647 1.608 0.049
88 HB2 LEU 12 1HB LEU 12 4.360 -0.002 -1.744
89 HB3 LEU 12 2HB LEU 12 2.648 -0.206 -1.965
90 HG LEU 12 HG LEU 12 3.999 1.610 -3.340
91 HD11 LEU 12 1HD1 LEU 12 1.955 2.933 -3.573
92 HD12 LEU 12 2HD1 LEU 12 1.337 2.273 -2.059
93 HD13 LEU 12 3HD1 LEU 12 1.557 1.219 -3.456
94 HD21 LEU 12 3HD2 LEU 12 4.398 3.677 -2.407
95 HD22 LEU 12 1HD2 LEU 12 4.678 2.685 -0.990
96 HD23 LEU 12 2HD2 LEU 12 3.141 3.508 -1.183
97 H ILE 13 H ILE 13 4.127 -1.645 0.154
98 HA ILE 13 HA ILE 13 1.851 -3.169 0.733
99 HB ILE 13 HB ILE 13 4.660 -3.423 1.837
100 HG12 ILE 13 1HG1 ILE 13 3.288 -4.330 -0.701
101 HG13 ILE 13 2HG1 ILE 13 4.752 -3.383 -0.543
102 HG21 ILE 13 1HG2 ILE 13 2.870 -4.797 3.018
103 HG22 ILE 13 2HG2 ILE 13 4.158 -5.729 2.270
104 HG23 ILE 13 3HG2 ILE 13 2.587 -5.605 1.477
105 HD11 ILE 13 3HD1 ILE 13 5.771 -5.408 0.622
106 HD12 ILE 13 1HD1 ILE 13 5.490 -5.554 -1.113
107 HD13 ILE 13 2HD1 ILE 13 4.378 -6.309 0.027
108 H GLN 14 H GLN 14 4.108 -1.772 3.092
109 HA GLN 14 HA GLN 14 2.586 -2.249 5.415
110 HB2 GLN 14 1HB GLN 14 4.764 -0.396 4.630
111 HB3 GLN 14 2HB GLN 14 3.934 -0.014 6.120
112 HG2 GLN 14 1HG GLN 14 4.394 -2.330 6.924
113 HG3 GLN 14 2HG GLN 14 5.294 -2.639 5.439
114 HE21 GLN 14 2HE2 GLN 14 6.375 0.174 5.389
115 HE22 GLN 14 1HE2 GLN 14 7.571 0.215 6.593
116 H GLN 15 H GLN 15 2.268 0.218 2.971
117 HA GLN 15 HA GLN 15 0.299 1.722 4.583
118 HB2 GLN 15 1HB GLN 15 1.804 2.196 2.062
119 HB3 GLN 15 2HB GLN 15 0.450 3.222 2.471
120 HG2 GLN 15 1HG GLN 15 1.574 3.654 4.703
121 HG3 GLN 15 2HG GLN 15 2.985 2.799 4.077
122 HE21 GLN 15 2HE2 GLN 15 2.945 5.638 4.806
123 HE22 GLN 15 1HE2 GLN 15 3.263 6.516 3.389
124 H ALA 16 H ALA 16 0.268 -0.877 2.564
125 HA ALA 16 HA ALA 16 -1.864 -0.207 0.776
126 HB1 ALA 16 3HB ALA 16 -1.908 -2.524 0.241
127 HB2 ALA 16 1HB ALA 16 -1.204 -2.966 1.799
128 HB3 ALA 16 2HB ALA 16 -0.226 -2.125 0.594
129 H THR 17 H THR 17 -1.874 -0.648 4.122
130 HA THR 17 HA THR 17 -4.489 -1.875 4.400
131 HB THR 17 HB THR 17 -4.359 -1.136 6.726
132 HG1 THR 17 HG1 THR 17 -3.553 0.829 6.786
133 HG21 THR 17 3HG2 THR 17 -2.879 -3.027 5.852
134 HG22 THR 17 1HG2 THR 17 -2.375 -2.290 7.373
135 HG23 THR 17 2HG2 THR 17 -1.553 -1.864 5.872
136 H SER 18 H SER 18 -3.358 1.167 3.441
137 HA SER 18 HA SER 18 -5.804 2.620 4.127
138 HB2 SER 18 1HB SER 18 -3.097 3.329 3.173
139 HB3 SER 18 2HB SER 18 -4.407 4.407 2.720
140 HG SER 18 HG SER 18 -4.652 3.699 5.293
141 H ILE 19 H ILE 19 -3.855 2.053 1.183
142 HA ILE 19 HA ILE 19 -5.471 2.932 -0.822
143 HB ILE 19 HB ILE 19 -3.885 0.373 -0.613
144 HG12 ILE 19 1HG1 ILE 19 -3.322 3.028 -1.971
145 HG13 ILE 19 2HG1 ILE 19 -2.735 2.596 -0.365
146 HG21 ILE 19 1HG2 ILE 19 -3.922 0.543 -3.159
147 HG22 ILE 19 2HG2 ILE 19 -5.260 1.671 -2.964
148 HG23 ILE 19 3HG2 ILE 19 -5.416 0.010 -2.400
149 HD11 ILE 19 3HD1 ILE 19 -0.989 2.118 -1.963
150 HD12 ILE 19 1HD1 ILE 19 -2.107 1.200 -2.967
151 HD13 ILE 19 2HD1 ILE 19 -1.639 0.586 -1.386
152 H GLU 20 H GLU 20 -6.024 0.250 1.302
153 HA GLU 20 HA GLU 20 -8.216 -0.922 -0.239
154 HB2 GLU 20 1HB GLU 20 -7.116 -1.278 2.543
155 HB3 GLU 20 2HB GLU 20 -8.708 -1.932 2.165
156 HG2 GLU 20 1HG GLU 20 -6.368 -2.504 0.348
157 HG3 GLU 20 2HG GLU 20 -6.598 -3.449 1.817
158 H ARG 21 H ARG 21 -7.929 1.076 2.664
159 HA ARG 21 HA ARG 21 -10.661 1.611 3.125
160 HB2 ARG 21 1HB ARG 21 -8.026 2.829 3.793
161 HB3 ARG 21 2HB ARG 21 -9.399 3.934 3.909
162 HG2 ARG 21 1HG ARG 21 -9.272 1.210 5.245
163 HG3 ARG 21 2HG ARG 21 -8.887 2.727 6.053
164 HD2 ARG 21 1HD ARG 21 -11.357 3.331 5.004
165 HD3 ARG 21 2HD ARG 21 -11.540 1.608 5.328
166 HE ARG 21 HE ARG 21 -11.605 2.151 7.612
167 HH11 ARG 21 1HH2 ARG 21 -9.957 4.558 5.776
168 HH12 ARG 21 2HH2 ARG 21 -9.714 5.614 7.127
169 HH21 ARG 21 1HH1 ARG 21 -11.297 3.517 9.391
170 HH22 ARG 21 2HH1 ARG 21 -10.470 5.023 9.175
171 H LEU 22 H LEU 22 -8.391 2.977 0.800
172 HA LEU 22 HA LEU 22 -9.948 5.197 0.012
173 HB2 LEU 22 1HB LEU 22 -7.585 3.731 -0.914
174 HB3 LEU 22 2HB LEU 22 -8.351 4.730 -2.107
175 HG LEU 22 HG LEU 22 -8.196 6.606 -0.618
176 HD11 LEU 22 1HD1 LEU 22 -7.057 4.600 1.247
177 HD12 LEU 22 2HD1 LEU 22 -8.334 5.777 1.536
178 HD13 LEU 22 3HD1 LEU 22 -6.658 6.304 1.420
179 HD21 LEU 22 3HD2 LEU 22 -5.842 7.004 -0.824
180 HD22 LEU 22 1HD2 LEU 22 -6.325 5.990 -2.183
181 HD23 LEU 22 2HD2 LEU 22 -5.513 5.274 -0.792
182 H CYS 23 H CYS 23 -9.182 2.349 -1.937
183 HA CYS 23 HA CYS 23 -11.256 2.755 -3.823
184 HB2 CYS 23 1HB CYS 23 -11.100 0.162 -4.121
185 HB3 CYS 23 2HB CYS 23 -9.695 1.151 -4.506
186 H GLN 24 H GLN 24 -11.335 0.484 -1.044
187 HA GLN 24 HA GLN 24 -13.978 -0.353 -1.230
188 HB2 GLN 24 1HB GLN 24 -12.398 0.364 1.254
189 HB3 GLN 24 2HB GLN 24 -13.945 -0.480 1.292
190 HG2 GLN 24 1HG GLN 24 -12.905 -2.196 -0.285
191 HG3 GLN 24 2HG GLN 24 -11.352 -1.429 0.051
192 HE21 GLN 24 2HE2 GLN 24 -11.769 -4.123 0.826
193 HE22 GLN 24 1HE2 GLN 24 -11.850 -4.207 2.519
194 H HIS 25 H HIS 25 -12.796 2.788 -0.128
195 HA HIS 25 HA HIS 25 -15.559 3.647 0.539
196 HB2 HIS 25 1HB HIS 25 -13.559 4.207 2.005
197 HB3 HIS 25 2HB HIS 25 -13.019 5.281 0.715
198 HD1 HIS 25 HD1 HIS 25 -14.927 7.122 -0.052
199 HD2 HIS 25 HD2 HIS 25 -15.379 5.396 3.719
200 HE1 HIS 25 HE1 HIS 25 -16.513 8.620 1.238
201 HE2 HIS 25 HE2 HIS 25 -16.795 7.579 3.534
202 H TYR 26 H TYR 26 -12.864 5.163 -1.277
203 HA TYR 26 HA TYR 26 -14.602 6.854 -2.793
204 HB2 TYR 26 1HB TYR 26 -11.759 5.963 -3.316
205 HB3 TYR 26 2HB TYR 26 -12.561 7.259 -4.186
206 HD1 TYR 26 HD1 TYR 26 -13.853 8.973 -2.384
207 HD2 TYR 26 HD2 TYR 26 -10.301 6.665 -1.649
208 HE1 TYR 26 HE1 TYR 26 -13.222 10.515 -0.552
209 HE2 TYR 26 HE2 TYR 26 -9.677 8.202 0.191
210 HH TYR 26 HH TYR 26 -10.105 10.390 0.973
211 H ILE 27 H ILE 27 -12.485 4.342 -4.209
212 HA ILE 27 HA ILE 27 -14.460 4.026 -6.391
213 HB ILE 27 HB ILE 27 -11.729 2.754 -6.100
214 HG12 ILE 27 1HG1 ILE 27 -11.405 4.752 -7.935
215 HG13 ILE 27 2HG1 ILE 27 -12.588 5.517 -6.898
216 HG21 ILE 27 1HG2 ILE 27 -11.915 2.488 -8.538
217 HG22 ILE 27 2HG2 ILE 27 -13.508 3.246 -8.507
218 HG23 ILE 27 3HG2 ILE 27 -13.258 1.686 -7.722
219 HD11 ILE 27 3HD1 ILE 27 -9.767 4.715 -6.328
220 HD12 ILE 27 1HD1 ILE 27 -10.920 4.660 -5.004
221 HD13 ILE 27 2HD1 ILE 27 -10.639 6.171 -5.852
222 H GLY 28 H GLY 28 -12.407 1.453 -5.042
223 HA2 GLY 28 1HA GLY 28 -13.630 -0.257 -3.538
224 HA3 GLY 28 2HA GLY 28 -14.871 -0.249 -4.786
225 H TRP 29 H TRP 29 -11.995 0.199 -6.350
226 HA TRP 29 HA TRP 29 -11.922 -2.653 -7.163
227 HB2 TRP 29 1HB TRP 29 -11.648 -0.208 -8.542
228 HB3 TRP 29 2HB TRP 29 -10.011 -0.858 -8.518
229 HD1 TRP 29 HD1 TRP 29 -10.259 -3.809 -9.069
230 HE1 TRP 29 HE1 TRP 29 -11.397 -4.742 -11.195
231 HE3 TRP 29 HE3 TRP 29 -13.102 0.200 -10.359
232 HZ2 TRP 29 HZ2 TRP 29 -13.263 -3.889 -13.170
233 HZ3 TRP 29 HZ3 TRP 29 -14.542 0.133 -12.346
234 HH2 TRP 29 HH2 TRP 29 -14.641 -1.903 -13.772
235 H CYS 30 H CYS 30 -10.783 -3.754 -5.573
236 HA CYS 30 HA CYS 30 -7.888 -3.211 -5.428
237 HB2 CYS 30 1HB CYS 30 -9.771 -2.851 -3.115
238 HB3 CYS 30 2HB CYS 30 -8.149 -3.463 -2.804
239 HA PRO 31 HA PRO 31 -9.046 -7.677 -5.163
240 HB2 PRO 31 1HB PRO 31 -8.042 -8.536 -7.498
241 HB3 PRO 31 2HB PRO 31 -9.572 -7.636 -7.442
242 HG2 PRO 31 1HG PRO 31 -6.847 -6.684 -8.207
243 HG3 PRO 31 2HG PRO 31 -8.420 -6.285 -8.921
244 HD2 PRO 31 1HD PRO 31 -7.045 -4.696 -7.041
245 HD3 PRO 31 2HD PRO 31 -8.771 -4.552 -7.436
246 H PHE 32 H PHE 32 -5.992 -6.095 -5.903
247 HA PHE 32 HA PHE 32 -4.222 -8.283 -5.661
248 HB2 PHE 32 1HB PHE 32 -3.430 -6.084 -6.360
249 HB3 PHE 32 2HB PHE 32 -3.841 -5.404 -4.787
250 HD1 PHE 32 HD2 PHE 32 -1.724 -8.010 -6.427
251 HD2 PHE 32 HD1 PHE 32 -2.289 -5.478 -3.002
252 HE1 PHE 32 HE2 PHE 32 0.498 -8.688 -5.558
253 HE2 PHE 32 HE1 PHE 32 -0.067 -6.156 -2.134
254 HZ PHE 32 HZ PHE 32 1.326 -7.761 -3.412
255 H TRP 33 H TRP 33 -6.426 -7.245 -3.384
256 HA TRP 33 HA TRP 33 -4.747 -8.027 -1.055
257 HB2 TRP 33 1HB TRP 33 -7.420 -6.691 -1.293
258 HB3 TRP 33 2HB TRP 33 -6.757 -7.224 0.232
259 HD1 TRP 33 HD1 TRP 33 -5.110 -5.689 1.384
260 HE1 TRP 33 HE1 TRP 33 -3.906 -3.486 0.766
261 HE3 TRP 33 HE3 TRP 33 -6.404 -5.341 -3.526
262 HZ2 TRP 33 HZ2 TRP 33 -3.554 -1.811 -1.503
263 HZ3 TRP 33 HZ3 TRP 33 -5.630 -3.428 -4.899
264 HH2 TRP 33 HH2 TRP 33 -4.205 -1.663 -3.898
Start of MODEL 12
1 H1 ASN 1 1H ASN 1 17.407 -4.828 7.325
2 H2 ASN 1 2H ASN 1 16.874 -3.213 7.339
3 H3 ASN 1 3H ASN 1 17.963 -3.741 6.146
4 HA ASN 1 HA ASN 1 15.218 -3.649 5.953
5 HB2 ASN 1 1HB ASN 1 17.073 -5.315 4.239
6 HB3 ASN 1 2HB ASN 1 15.618 -4.451 3.740
7 HD21 ASN 1 2HD2 ASN 1 16.371 -2.792 2.389
8 HD22 ASN 1 1HD2 ASN 1 17.613 -1.710 2.798
9 H GLU 2 H GLU 2 15.115 -6.253 4.367
10 HA GLU 2 HA GLU 2 15.090 -8.320 6.457
11 HB2 GLU 2 1HB GLU 2 12.829 -6.818 6.325
12 HB3 GLU 2 2HB GLU 2 12.445 -7.997 5.075
13 HG2 GLU 2 1HG GLU 2 12.803 -9.834 6.661
14 HG3 GLU 2 2HG GLU 2 13.290 -8.690 7.910
15 H LEU 3 H LEU 3 13.521 -10.202 5.091
16 HA LEU 3 HA LEU 3 15.318 -10.902 2.923
17 HB2 LEU 3 1HB LEU 3 12.912 -12.148 4.200
18 HB3 LEU 3 2HB LEU 3 13.481 -12.781 2.655
19 HG LEU 3 HG LEU 3 15.478 -12.361 4.880
20 HD11 LEU 3 1HD1 LEU 3 15.023 -14.756 5.547
21 HD12 LEU 3 2HD1 LEU 3 13.516 -14.641 4.638
22 HD13 LEU 3 3HD1 LEU 3 13.788 -13.592 6.028
23 HD21 LEU 3 3HD2 LEU 3 16.698 -14.065 3.742
24 HD22 LEU 3 1HD2 LEU 3 16.032 -13.058 2.457
25 HD23 LEU 3 2HD2 LEU 3 15.273 -14.599 2.850
26 H ASP 4 H ASP 4 13.370 -8.541 2.906
27 HA ASP 4 HA ASP 4 12.049 -9.091 0.270
28 HB2 ASP 4 1HB ASP 4 10.450 -7.352 0.864
29 HB3 ASP 4 2HB ASP 4 10.523 -8.529 2.173
30 H VAL 5 H VAL 5 13.393 -8.280 -1.305
31 HA VAL 5 HA VAL 5 15.220 -6.121 -0.788
32 HB VAL 5 HB VAL 5 14.412 -6.935 -3.573
33 HG11 VAL 5 1HG1 VAL 5 17.116 -6.370 -2.333
34 HG12 VAL 5 2HG1 VAL 5 16.126 -5.145 -3.127
35 HG13 VAL 5 3HG1 VAL 5 16.743 -6.515 -4.051
36 HG21 VAL 5 3HG2 VAL 5 16.110 -8.806 -3.308
37 HG22 VAL 5 1HG2 VAL 5 14.582 -9.060 -2.463
38 HG23 VAL 5 2HG2 VAL 5 16.010 -8.541 -1.567
39 HA PRO 6 HA PRO 6 11.838 -3.711 -3.435
40 HB2 PRO 6 1HB PRO 6 9.440 -4.932 -2.140
41 HB3 PRO 6 2HB PRO 6 9.690 -4.445 -3.824
42 HG2 PRO 6 1HG PRO 6 9.674 -7.002 -3.155
43 HG3 PRO 6 2HG PRO 6 10.839 -6.390 -4.348
44 HD2 PRO 6 1HD PRO 6 11.281 -7.024 -1.444
45 HD3 PRO 6 2HD PRO 6 12.310 -7.397 -2.841
46 H GLU 7 H GLU 7 12.541 -2.012 -2.142
47 HA GLU 7 HA GLU 7 11.384 -1.671 0.557
48 HB2 GLU 7 1HB GLU 7 13.577 -0.208 -0.926
49 HB3 GLU 7 2HB GLU 7 12.960 0.310 0.644
50 HG2 GLU 7 1HG GLU 7 13.517 -1.947 1.561
51 HG3 GLU 7 2HG GLU 7 14.246 -2.362 0.008
52 H GLN 8 H GLN 8 11.944 0.506 -2.254
53 HA GLN 8 HA GLN 8 10.018 2.417 -1.463
54 HB2 GLN 8 1HB GLN 8 10.707 1.635 -4.313
55 HB3 GLN 8 2HB GLN 8 9.950 3.148 -3.801
56 HG2 GLN 8 1HG GLN 8 12.002 3.539 -2.345
57 HG3 GLN 8 2HG GLN 8 12.754 2.183 -3.185
58 HE21 GLN 8 2HE2 GLN 8 11.216 2.968 -5.726
59 HE22 GLN 8 1HE2 GLN 8 12.087 4.285 -6.348
60 H VAL 9 H VAL 9 9.589 -0.759 -2.298
61 HA VAL 9 HA VAL 9 6.879 -0.469 -3.397
62 HB VAL 9 HB VAL 9 8.541 -2.856 -2.536
63 HG11 VAL 9 1HG1 VAL 9 6.667 -4.147 -3.747
64 HG12 VAL 9 2HG1 VAL 9 5.706 -2.679 -3.556
65 HG13 VAL 9 3HG1 VAL 9 6.312 -3.529 -2.131
66 HG21 VAL 9 3HG2 VAL 9 7.925 -1.553 -5.177
67 HG22 VAL 9 1HG2 VAL 9 8.157 -3.302 -5.131
68 HG23 VAL 9 2HG2 VAL 9 9.444 -2.230 -4.586
69 H ASP 10 H ASP 10 8.185 -2.356 -0.714
70 HA ASP 10 HA ASP 10 5.905 -2.638 0.835
71 HB2 ASP 10 1HB ASP 10 7.962 -3.752 1.436
72 HB3 ASP 10 2HB ASP 10 8.788 -2.212 1.693
73 H LYS 11 H LYS 11 7.940 0.241 0.498
74 HA LYS 11 HA LYS 11 6.672 1.654 2.673
75 HB2 LYS 11 1HB LYS 11 8.814 2.437 2.166
76 HB3 LYS 11 2HB LYS 11 8.563 2.293 0.427
77 HG2 LYS 11 1HG LYS 11 7.433 4.290 0.279
78 HG3 LYS 11 2HG LYS 11 6.823 4.209 1.923
79 HD2 LYS 11 1HD LYS 11 8.889 4.881 2.852
80 HD3 LYS 11 2HD LYS 11 9.755 4.599 1.342
81 HE2 LYS 11 1HE LYS 11 7.671 6.747 1.833
82 HE3 LYS 11 2HE LYS 11 9.406 7.004 1.647
83 HZ1 LYS 11 3HZ LYS 11 7.390 6.543 -0.358
84 HZ2 LYS 11 1HZ LYS 11 8.775 5.584 -0.558
85 HZ3 LYS 11 2HZ LYS 11 8.916 7.277 -0.499
86 H LEU 12 H LEU 12 6.466 1.650 -0.881
87 HA LEU 12 HA LEU 12 4.305 3.456 -1.174
88 HB2 LEU 12 1HB LEU 12 5.519 1.239 -2.716
89 HB3 LEU 12 2HB LEU 12 3.944 1.755 -3.248
90 HG LEU 12 HG LEU 12 6.112 2.829 -4.274
91 HD11 LEU 12 1HD1 LEU 12 3.719 4.445 -3.368
92 HD12 LEU 12 2HD1 LEU 12 3.885 3.553 -4.880
93 HD13 LEU 12 3HD1 LEU 12 4.872 4.984 -4.588
94 HD21 LEU 12 3HD2 LEU 12 5.807 4.915 -2.141
95 HD22 LEU 12 1HD2 LEU 12 7.187 4.541 -3.170
96 HD23 LEU 12 2HD2 LEU 12 6.812 3.516 -1.800
97 H ILE 13 H ILE 13 4.281 -0.118 -1.065
98 HA ILE 13 HA ILE 13 1.524 -0.531 -0.960
99 HB ILE 13 HB ILE 13 3.685 -1.978 0.582
100 HG12 ILE 13 1HG1 ILE 13 2.603 -2.178 -2.236
101 HG13 ILE 13 2HG1 ILE 13 4.268 -1.978 -1.733
102 HG21 ILE 13 1HG2 ILE 13 0.964 -2.958 -0.325
103 HG22 ILE 13 2HG2 ILE 13 1.320 -2.436 1.318
104 HG23 ILE 13 3HG2 ILE 13 2.137 -3.842 0.654
105 HD11 ILE 13 3HD1 ILE 13 4.087 -4.248 -2.367
106 HD12 ILE 13 1HD1 ILE 13 2.555 -4.438 -1.516
107 HD13 ILE 13 2HD1 ILE 13 4.053 -4.253 -0.604
108 H GLN 14 H GLN 14 3.735 -0.098 1.791
109 HA GLN 14 HA GLN 14 1.879 0.021 3.879
110 HB2 GLN 14 1HB GLN 14 4.540 1.234 3.362
111 HB3 GLN 14 2HB GLN 14 3.668 1.820 4.751
112 HG2 GLN 14 1HG GLN 14 3.632 -0.323 5.774
113 HG3 GLN 14 2HG GLN 14 4.066 -1.133 4.269
114 HE21 GLN 14 2HE2 GLN 14 5.882 1.718 4.562
115 HE22 GLN 14 1HE2 GLN 14 7.297 1.044 5.212
116 H GLN 15 H GLN 15 2.940 2.567 1.666
117 HA GLN 15 HA GLN 15 1.177 4.560 2.808
118 HB2 GLN 15 1HB GLN 15 3.054 4.359 0.519
119 HB3 GLN 15 2HB GLN 15 1.850 5.626 0.428
120 HG2 GLN 15 1HG GLN 15 2.596 6.417 2.681
121 HG3 GLN 15 2HG GLN 15 3.860 5.187 2.653
122 HE21 GLN 15 2HE2 GLN 15 2.660 7.444 0.101
123 HE22 GLN 15 1HE2 GLN 15 4.187 8.104 -0.237
124 H ALA 16 H ALA 16 0.700 1.865 0.906
125 HA ALA 16 HA ALA 16 -1.542 3.001 -0.667
126 HB1 ALA 16 3HB ALA 16 -1.495 0.997 -1.920
127 HB2 ALA 16 1HB ALA 16 -0.676 0.108 -0.633
128 HB3 ALA 16 2HB ALA 16 0.204 1.318 -1.571
129 H THR 17 H THR 17 -0.931 0.551 1.789
130 HA THR 17 HA THR 17 -3.248 -0.762 2.193
131 HB THR 17 HB THR 17 -2.826 -0.439 4.711
132 HG1 THR 17 HG1 THR 17 -0.371 0.606 4.104
133 HG21 THR 17 3HG2 THR 17 -1.899 -2.307 3.397
134 HG22 THR 17 1HG2 THR 17 -0.743 -1.748 4.606
135 HG23 THR 17 2HG2 THR 17 -0.542 -1.290 2.915
136 H SER 18 H SER 18 -2.888 2.689 2.759
137 HA SER 18 HA SER 18 -5.567 2.883 3.972
138 HB2 SER 18 1HB SER 18 -3.269 4.697 3.545
139 HB3 SER 18 2HB SER 18 -4.857 5.442 3.638
140 HG SER 18 HG SER 18 -3.319 4.471 5.602
141 H ILE 19 H ILE 19 -4.067 4.764 1.346
142 HA ILE 19 HA ILE 19 -6.357 5.609 0.058
143 HB ILE 19 HB ILE 19 -3.667 4.793 -1.042
144 HG12 ILE 19 1HG1 ILE 19 -4.855 7.523 -0.486
145 HG13 ILE 19 2HG1 ILE 19 -3.868 6.645 0.685
146 HG21 ILE 19 1HG2 ILE 19 -5.197 4.781 -2.882
147 HG22 ILE 19 2HG2 ILE 19 -4.347 6.322 -2.938
148 HG23 ILE 19 3HG2 ILE 19 -5.990 6.243 -2.307
149 HD11 ILE 19 3HD1 ILE 19 -2.497 8.213 -0.625
150 HD12 ILE 19 1HD1 ILE 19 -3.016 7.418 -2.110
151 HD13 ILE 19 2HD1 ILE 19 -2.030 6.542 -0.942
152 H GLU 20 H GLU 20 -4.850 2.449 0.046
153 HA GLU 20 HA GLU 20 -6.472 1.446 -2.173
154 HB2 GLU 20 1HB GLU 20 -4.667 0.127 -0.149
155 HB3 GLU 20 2HB GLU 20 -5.746 -0.851 -1.135
156 HG2 GLU 20 1HG GLU 20 -3.893 1.193 -2.369
157 HG3 GLU 20 2HG GLU 20 -3.381 -0.467 -2.067
158 H ARG 21 H ARG 21 -6.456 0.973 1.357
159 HA ARG 21 HA ARG 21 -8.836 -0.480 1.637
160 HB2 ARG 21 1HB ARG 21 -7.426 1.580 3.329
161 HB3 ARG 21 2HB ARG 21 -9.006 0.982 3.847
162 HG2 ARG 21 1HG ARG 21 -6.843 -0.971 3.058
163 HG3 ARG 21 2HG ARG 21 -6.829 -0.247 4.664
164 HD2 ARG 21 1HD ARG 21 -9.411 -1.427 3.694
165 HD3 ARG 21 2HD ARG 21 -8.133 -2.529 4.200
166 HE ARG 21 HE ARG 21 -9.629 -0.698 5.947
167 HH11 ARG 21 1HH2 ARG 21 -6.850 -2.688 5.441
168 HH12 ARG 21 2HH2 ARG 21 -6.524 -2.884 7.130
169 HH21 ARG 21 1HH1 ARG 21 -9.207 -0.944 8.150
170 HH22 ARG 21 2HH1 ARG 21 -7.854 -1.896 8.661
171 H LEU 22 H LEU 22 -8.333 2.926 0.941
172 HA LEU 22 HA LEU 22 -10.983 3.807 1.325
173 HB2 LEU 22 1HB LEU 22 -8.498 4.784 0.125
174 HB3 LEU 22 2HB LEU 22 -9.933 5.571 -0.450
175 HG LEU 22 HG LEU 22 -10.539 5.995 1.878
176 HD11 LEU 22 1HD1 LEU 22 -9.093 5.675 3.684
177 HD12 LEU 22 2HD1 LEU 22 -7.767 5.210 2.615
178 HD13 LEU 22 3HD1 LEU 22 -9.153 4.144 2.827
179 HD21 LEU 22 3HD2 LEU 22 -9.035 7.848 2.195
180 HD22 LEU 22 1HD2 LEU 22 -9.346 7.647 0.473
181 HD23 LEU 22 2HD2 LEU 22 -7.833 7.066 1.167
182 H CYS 23 H CYS 23 -9.254 3.505 -1.735
183 HA CYS 23 HA CYS 23 -11.597 3.516 -3.366
184 HB2 CYS 23 1HB CYS 23 -10.168 2.759 -5.173
185 HB3 CYS 23 2HB CYS 23 -9.263 3.914 -4.195
186 H GLN 24 H GLN 24 -10.298 1.054 -1.368
187 HA GLN 24 HA GLN 24 -11.662 -1.126 -2.853
188 HB2 GLN 24 1HB GLN 24 -9.899 -1.072 -0.392
189 HB3 GLN 24 2HB GLN 24 -10.723 -2.529 -0.944
190 HG2 GLN 24 1HG GLN 24 -9.614 -2.267 -3.168
191 HG3 GLN 24 2HG GLN 24 -8.715 -0.893 -2.526
192 HE21 GLN 24 2HE2 GLN 24 -6.963 -2.700 -3.269
193 HE22 GLN 24 1HE2 GLN 24 -6.419 -3.694 -2.007
194 H HIS 25 H HIS 25 -11.996 0.821 0.063
195 HA HIS 25 HA HIS 25 -14.331 -0.783 0.961
196 HB2 HIS 25 1HB HIS 25 -12.549 0.043 2.563
197 HB3 HIS 25 2HB HIS 25 -13.140 1.678 2.260
198 HD1 HIS 25 HD1 HIS 25 -13.531 1.041 5.059
199 HD2 HIS 25 HD2 HIS 25 -16.260 -0.344 2.225
200 HE1 HIS 25 HE1 HIS 25 -15.671 0.527 6.316
201 HE2 HIS 25 HE2 HIS 25 -17.339 -0.314 4.600
202 H TYR 26 H TYR 26 -13.645 2.700 0.387
203 HA TYR 26 HA TYR 26 -16.381 3.476 0.450
204 HB2 TYR 26 1HB TYR 26 -13.913 4.739 -0.733
205 HB3 TYR 26 2HB TYR 26 -15.486 5.518 -0.843
206 HD1 TYR 26 HD2 TYR 26 -16.832 5.482 1.542
207 HD2 TYR 26 HD1 TYR 26 -12.572 5.339 1.065
208 HE1 TYR 26 HE2 TYR 26 -16.537 6.298 3.866
209 HE2 TYR 26 HE1 TYR 26 -12.263 6.136 3.392
210 HH TYR 26 HH TYR 26 -13.291 6.667 5.292
211 H ILE 27 H ILE 27 -14.276 3.104 -2.460
212 HA ILE 27 HA ILE 27 -16.766 2.930 -4.099
213 HB ILE 27 HB ILE 27 -13.913 3.144 -5.080
214 HG12 ILE 27 1HG1 ILE 27 -14.992 5.648 -5.433
215 HG13 ILE 27 2HG1 ILE 27 -15.768 5.194 -3.927
216 HG21 ILE 27 1HG2 ILE 27 -15.061 4.001 -7.114
217 HG22 ILE 27 2HG2 ILE 27 -16.616 3.692 -6.342
218 HG23 ILE 27 3HG2 ILE 27 -15.538 2.348 -6.722
219 HD11 ILE 27 3HD1 ILE 27 -13.671 6.345 -3.464
220 HD12 ILE 27 1HD1 ILE 27 -12.791 5.198 -4.474
221 HD13 ILE 27 2HD1 ILE 27 -13.545 4.659 -2.980
222 H GLY 28 H GLY 28 -13.617 1.401 -4.775
223 HA2 GLY 28 1HA GLY 28 -13.525 -1.130 -4.255
224 HA3 GLY 28 2HA GLY 28 -15.068 -1.207 -5.099
225 H TRP 29 H TRP 29 -12.221 0.747 -5.974
226 HA TRP 29 HA TRP 29 -11.452 -1.052 -8.136
227 HB2 TRP 29 1HB TRP 29 -13.602 0.313 -8.866
228 HB3 TRP 29 2HB TRP 29 -12.456 1.635 -9.081
229 HD1 TRP 29 HD1 TRP 29 -10.006 0.105 -10.297
230 HE1 TRP 29 HE1 TRP 29 -10.181 -0.962 -12.644
231 HE3 TRP 29 HE3 TRP 29 -15.052 -0.291 -10.686
232 HZ2 TRP 29 HZ2 TRP 29 -12.203 -1.861 -14.435
233 HZ3 TRP 29 HZ3 TRP 29 -16.087 -1.247 -12.698
234 HH2 TRP 29 HH2 TRP 29 -14.682 -2.041 -14.591
235 H CYS 30 H CYS 30 -9.273 -0.778 -8.307
236 HA CYS 30 HA CYS 30 -8.123 1.955 -8.021
237 HB2 CYS 30 1HB CYS 30 -6.743 -0.262 -6.543
238 HB3 CYS 30 2HB CYS 30 -6.803 1.462 -6.182
239 HA PRO 31 HA PRO 31 -5.975 -0.433 -11.317
240 HB2 PRO 31 1HB PRO 31 -5.921 1.462 -13.231
241 HB3 PRO 31 2HB PRO 31 -7.411 0.569 -12.858
242 HG2 PRO 31 1HG PRO 31 -6.614 3.331 -12.059
243 HG3 PRO 31 2HG PRO 31 -8.202 2.715 -12.548
244 HD2 PRO 31 1HD PRO 31 -7.379 3.105 -9.893
245 HD3 PRO 31 2HD PRO 31 -8.736 2.073 -10.395
246 H PHE 32 H PHE 32 -5.218 2.759 -10.023
247 HA PHE 32 HA PHE 32 -2.596 3.007 -11.139
248 HB2 PHE 32 1HB PHE 32 -4.060 4.210 -8.816
249 HB3 PHE 32 2HB PHE 32 -2.306 4.376 -8.828
250 HD1 PHE 32 HD2 PHE 32 -1.260 5.155 -11.125
251 HD2 PHE 32 HD1 PHE 32 -5.351 5.794 -9.977
252 HE1 PHE 32 HE2 PHE 32 -1.430 7.010 -12.762
253 HE2 PHE 32 HE1 PHE 32 -5.519 7.649 -11.615
254 HZ PHE 32 HZ PHE 32 -3.559 8.257 -13.006
255 H TRP 33 H TRP 33 -3.746 0.591 -9.225
256 HA TRP 33 HA TRP 33 -1.094 0.110 -7.920
257 HB2 TRP 33 1HB TRP 33 -3.881 -0.646 -7.116
258 HB3 TRP 33 2HB TRP 33 -2.481 -1.430 -6.437
259 HD1 TRP 33 HD1 TRP 33 -1.137 -0.168 -4.670
260 HE1 TRP 33 HE1 TRP 33 -1.408 2.111 -3.474
261 HE3 TRP 33 HE3 TRP 33 -4.819 1.872 -7.527
262 HZ2 TRP 33 HZ2 TRP 33 -2.982 4.465 -3.710
263 HZ3 TRP 33 HZ3 TRP 33 -5.698 4.131 -7.025
264 HH2 TRP 33 HH2 TRP 33 -4.786 5.435 -5.120
Start of MODEL 13
1 H1 ASN 1 1H ASN 1 18.546 -9.875 5.828
2 H2 ASN 1 2H ASN 1 18.290 -9.521 7.470
3 H3 ASN 1 3H ASN 1 17.421 -8.685 6.273
4 HA ASN 1 HA ASN 1 17.189 -11.605 6.375
5 HB2 ASN 1 1HB ASN 1 16.928 -10.739 8.731
6 HB3 ASN 1 2HB ASN 1 15.596 -9.737 8.153
7 HD21 ASN 1 2HD2 ASN 1 13.612 -10.718 8.530
8 HD22 ASN 1 1HD2 ASN 1 13.319 -12.389 8.474
9 H GLU 2 H GLU 2 15.879 -8.353 5.857
10 HA GLU 2 HA GLU 2 13.534 -9.357 4.428
11 HB2 GLU 2 1HB GLU 2 13.608 -6.749 3.694
12 HB3 GLU 2 2HB GLU 2 13.000 -7.267 5.265
13 HG2 GLU 2 1HG GLU 2 14.670 -5.385 5.373
14 HG3 GLU 2 2HG GLU 2 15.112 -6.799 6.326
15 H LEU 3 H LEU 3 14.496 -10.690 2.804
16 HA LEU 3 HA LEU 3 16.499 -9.745 0.980
17 HB2 LEU 3 1HB LEU 3 15.361 -12.177 1.504
18 HB3 LEU 3 2HB LEU 3 14.570 -11.786 -0.019
19 HG LEU 3 HG LEU 3 17.575 -11.710 0.423
20 HD11 LEU 3 1HD1 LEU 3 17.631 -13.787 -0.838
21 HD12 LEU 3 2HD1 LEU 3 15.877 -13.763 -1.006
22 HD13 LEU 3 3HD1 LEU 3 16.607 -13.986 0.582
23 HD21 LEU 3 3HD2 LEU 3 17.481 -11.742 -2.146
24 HD22 LEU 3 1HD2 LEU 3 17.008 -10.235 -1.364
25 HD23 LEU 3 2HD2 LEU 3 15.773 -11.335 -1.980
26 H ASP 4 H ASP 4 13.584 -8.450 1.457
27 HA ASP 4 HA ASP 4 12.723 -8.156 -1.342
28 HB2 ASP 4 1HB ASP 4 11.047 -6.546 -0.239
29 HB3 ASP 4 2HB ASP 4 10.928 -8.245 0.218
30 H VAL 5 H VAL 5 14.169 -6.903 -2.488
31 HA VAL 5 HA VAL 5 15.515 -4.639 -1.314
32 HB VAL 5 HB VAL 5 15.267 -5.074 -4.285
33 HG11 VAL 5 1HG1 VAL 5 16.523 -3.121 -3.478
34 HG12 VAL 5 2HG1 VAL 5 17.613 -4.293 -4.221
35 HG13 VAL 5 3HG1 VAL 5 17.517 -4.169 -2.465
36 HG21 VAL 5 3HG2 VAL 5 15.699 -7.292 -3.515
37 HG22 VAL 5 1HG2 VAL 5 16.802 -6.721 -2.263
38 HG23 VAL 5 2HG2 VAL 5 17.276 -6.636 -3.959
39 HA PRO 6 HA PRO 6 12.099 -2.449 -4.270
40 HB2 PRO 6 1HB PRO 6 9.988 -4.136 -2.959
41 HB3 PRO 6 2HB PRO 6 9.973 -3.348 -4.554
42 HG2 PRO 6 1HG PRO 6 10.444 -5.898 -4.431
43 HG3 PRO 6 2HG PRO 6 11.499 -4.886 -5.439
44 HD2 PRO 6 1HD PRO 6 12.023 -6.013 -2.710
45 HD3 PRO 6 2HD PRO 6 13.126 -5.906 -4.101
46 H GLU 7 H GLU 7 12.228 -0.546 -3.204
47 HA GLU 7 HA GLU 7 11.568 -0.386 -0.339
48 HB2 GLU 7 1HB GLU 7 13.652 0.659 -1.183
49 HB3 GLU 7 2HB GLU 7 12.680 1.733 -2.188
50 HG2 GLU 7 1HG GLU 7 11.599 2.663 -0.192
51 HG3 GLU 7 2HG GLU 7 12.507 1.551 0.834
52 H GLN 8 H GLN 8 10.824 1.817 -3.106
53 HA GLN 8 HA GLN 8 8.620 3.055 -1.878
54 HB2 GLN 8 1HB GLN 8 9.001 2.379 -4.808
55 HB3 GLN 8 2HB GLN 8 7.709 3.422 -4.199
56 HG2 GLN 8 1HG GLN 8 10.622 3.951 -3.571
57 HG3 GLN 8 2HG GLN 8 9.849 4.597 -5.019
58 HE21 GLN 8 2HE2 GLN 8 10.543 6.667 -3.604
59 HE22 GLN 8 1HE2 GLN 8 9.320 7.275 -2.596
60 H VAL 9 H VAL 9 8.996 -0.139 -2.743
61 HA VAL 9 HA VAL 9 6.183 -0.778 -3.127
62 HB VAL 9 HB VAL 9 8.774 -2.272 -2.887
63 HG11 VAL 9 1HG1 VAL 9 6.018 -3.472 -2.498
64 HG12 VAL 9 2HG1 VAL 9 7.433 -3.651 -1.461
65 HG13 VAL 9 3HG1 VAL 9 7.392 -4.435 -3.040
66 HG21 VAL 9 3HG2 VAL 9 8.248 -1.714 -5.120
67 HG22 VAL 9 1HG2 VAL 9 6.541 -2.106 -4.921
68 HG23 VAL 9 2HG2 VAL 9 7.735 -3.396 -4.982
69 H ASP 10 H ASP 10 8.579 -1.718 -0.662
70 HA ASP 10 HA ASP 10 6.914 -2.612 1.370
71 HB2 ASP 10 1HB ASP 10 9.315 -2.692 1.648
72 HB3 ASP 10 2HB ASP 10 9.444 -0.935 1.546
73 H LYS 11 H LYS 11 7.848 0.764 0.719
74 HA LYS 11 HA LYS 11 6.287 1.928 2.812
75 HB2 LYS 11 1HB LYS 11 7.323 2.939 0.164
76 HB3 LYS 11 2HB LYS 11 6.233 3.944 1.118
77 HG2 LYS 11 1HG LYS 11 8.625 4.427 1.608
78 HG3 LYS 11 2HG LYS 11 7.759 3.840 3.029
79 HD2 LYS 11 1HD LYS 11 8.689 1.637 2.789
80 HD3 LYS 11 2HD LYS 11 9.357 2.029 1.204
81 HE2 LYS 11 1HE LYS 11 11.159 2.146 2.808
82 HE3 LYS 11 2HE LYS 11 10.765 3.795 2.325
83 HZ1 LYS 11 3HZ LYS 11 9.811 4.258 4.327
84 HZ2 LYS 11 1HZ LYS 11 10.992 3.151 4.833
85 HZ3 LYS 11 2HZ LYS 11 9.382 2.644 4.639
86 H LEU 12 H LEU 12 5.527 1.418 -0.638
87 HA LEU 12 HA LEU 12 2.834 2.231 -0.578
88 HB2 LEU 12 1HB LEU 12 4.492 0.402 -2.203
89 HB3 LEU 12 2HB LEU 12 2.770 0.249 -2.412
90 HG LEU 12 HG LEU 12 4.166 1.873 -3.942
91 HD11 LEU 12 1HD1 LEU 12 1.537 2.632 -2.648
92 HD12 LEU 12 2HD1 LEU 12 1.766 1.680 -4.115
93 HD13 LEU 12 3HD1 LEU 12 2.179 3.395 -4.103
94 HD21 LEU 12 3HD2 LEU 12 3.484 3.995 -1.938
95 HD22 LEU 12 1HD2 LEU 12 4.721 3.977 -3.194
96 HD23 LEU 12 2HD2 LEU 12 4.974 3.096 -1.702
97 H ILE 13 H ILE 13 4.220 -1.024 -0.052
98 HA ILE 13 HA ILE 13 1.811 -2.312 0.671
99 HB ILE 13 HB ILE 13 4.612 -2.776 1.706
100 HG12 ILE 13 1HG1 ILE 13 3.087 -3.672 -0.747
101 HG13 ILE 13 2HG1 ILE 13 4.668 -2.932 -0.664
102 HG21 ILE 13 1HG2 ILE 13 2.271 -4.697 1.560
103 HG22 ILE 13 2HG2 ILE 13 2.746 -3.852 3.032
104 HG23 ILE 13 3HG2 ILE 13 3.851 -4.996 2.285
105 HD11 ILE 13 3HD1 ILE 13 5.442 -4.991 0.595
106 HD12 ILE 13 1HD1 ILE 13 5.076 -5.216 -1.114
107 HD13 ILE 13 2HD1 ILE 13 3.919 -5.735 0.110
108 H GLN 14 H GLN 14 4.310 -1.038 2.889
109 HA GLN 14 HA GLN 14 2.873 -1.173 5.265
110 HB2 GLN 14 1HB GLN 14 5.021 0.584 4.226
111 HB3 GLN 14 2HB GLN 14 4.234 1.123 5.688
112 HG2 GLN 14 1HG GLN 14 6.316 -0.346 5.983
113 HG3 GLN 14 2HG GLN 14 4.883 -0.842 6.879
114 HE21 GLN 14 2HE2 GLN 14 6.598 -1.497 3.778
115 HE22 GLN 14 1HE2 GLN 14 6.109 -3.119 3.679
116 H GLN 15 H GLN 15 2.291 0.808 2.546
117 HA GLN 15 HA GLN 15 0.431 2.576 4.018
118 HB2 GLN 15 1HB GLN 15 1.718 2.624 1.335
119 HB3 GLN 15 2HB GLN 15 0.371 3.679 1.681
120 HG2 GLN 15 1HG GLN 15 1.607 4.635 3.588
121 HG3 GLN 15 2HG GLN 15 2.959 3.550 3.253
122 HE21 GLN 15 2HE2 GLN 15 1.167 6.355 1.976
123 HE22 GLN 15 1HE2 GLN 15 2.369 6.831 0.877
124 H ALA 16 H ALA 16 0.541 -0.186 2.003
125 HA ALA 16 HA ALA 16 -1.812 -0.020 0.489
126 HB1 ALA 16 3HB ALA 16 -0.466 -2.375 1.826
127 HB2 ALA 16 1HB ALA 16 -0.391 -1.885 0.138
128 HB3 ALA 16 2HB ALA 16 -1.879 -2.562 0.790
129 H THR 17 H THR 17 -1.586 0.096 3.870
130 HA THR 17 HA THR 17 -4.135 -1.232 4.417
131 HB THR 17 HB THR 17 -3.835 -0.072 6.682
132 HG1 THR 17 HG1 THR 17 -1.272 0.391 6.492
133 HG21 THR 17 3HG2 THR 17 -1.945 -1.563 7.311
134 HG22 THR 17 1HG2 THR 17 -1.626 -1.843 5.600
135 HG23 THR 17 2HG2 THR 17 -3.144 -2.386 6.314
136 H SER 18 H SER 18 -3.091 1.917 3.444
137 HA SER 18 HA SER 18 -5.644 3.188 4.214
138 HB2 SER 18 1HB SER 18 -2.965 4.110 3.378
139 HB3 SER 18 2HB SER 18 -4.320 5.151 2.972
140 HG SER 18 HG SER 18 -3.103 4.881 5.298
141 H ILE 19 H ILE 19 -3.701 3.471 1.234
142 HA ILE 19 HA ILE 19 -5.623 4.282 -0.511
143 HB ILE 19 HB ILE 19 -3.437 2.268 -1.056
144 HG12 ILE 19 1HG1 ILE 19 -3.526 5.273 -1.455
145 HG13 ILE 19 2HG1 ILE 19 -2.821 4.510 -0.028
146 HG21 ILE 19 1HG2 ILE 19 -5.201 3.970 -2.808
147 HG22 ILE 19 2HG2 ILE 19 -4.994 2.222 -2.846
148 HG23 ILE 19 3HG2 ILE 19 -3.685 3.277 -3.367
149 HD11 ILE 19 3HD1 ILE 19 -1.974 4.108 -2.900
150 HD12 ILE 19 1HD1 ILE 19 -1.336 3.190 -1.538
151 HD13 ILE 19 2HD1 ILE 19 -1.057 4.927 -1.636
152 H GLU 20 H GLU 20 -5.198 1.081 0.801
153 HA GLU 20 HA GLU 20 -7.107 -0.187 -1.015
154 HB2 GLU 20 1HB GLU 20 -6.007 -1.065 1.670
155 HB3 GLU 20 2HB GLU 20 -7.089 -2.045 0.688
156 HG2 GLU 20 1HG GLU 20 -5.490 -2.020 -1.166
157 HG3 GLU 20 2HG GLU 20 -4.400 -0.991 -0.238
158 H ARG 21 H ARG 21 -7.180 0.966 2.348
159 HA ARG 21 HA ARG 21 -9.905 0.477 2.904
160 HB2 ARG 21 1HB ARG 21 -7.806 2.385 3.867
161 HB3 ARG 21 2HB ARG 21 -9.475 2.804 4.259
162 HG2 ARG 21 1HG ARG 21 -8.541 -0.015 4.768
163 HG3 ARG 21 2HG ARG 21 -8.037 1.254 5.882
164 HD2 ARG 21 1HD ARG 21 -10.938 0.992 5.109
165 HD3 ARG 21 2HD ARG 21 -10.253 -0.028 6.375
166 HE ARG 21 HE ARG 21 -9.473 2.590 7.011
167 HH11 ARG 21 1HH2 ARG 21 -12.374 0.805 6.494
168 HH12 ARG 21 2HH2 ARG 21 -13.311 1.753 7.602
169 HH21 ARG 21 1HH1 ARG 21 -10.676 3.837 8.459
170 HH22 ARG 21 2HH1 ARG 21 -12.349 3.469 8.714
171 H LEU 22 H LEU 22 -8.307 3.037 1.087
172 HA LEU 22 HA LEU 22 -10.549 4.711 0.699
173 HB2 LEU 22 1HB LEU 22 -7.870 4.346 -0.440
174 HB3 LEU 22 2HB LEU 22 -8.973 5.256 -1.421
175 HG LEU 22 HG LEU 22 -9.390 6.689 0.521
176 HD11 LEU 22 1HD1 LEU 22 -7.868 6.611 2.416
177 HD12 LEU 22 2HD1 LEU 22 -7.127 5.169 1.730
178 HD13 LEU 22 3HD1 LEU 22 -8.807 5.130 2.265
179 HD21 LEU 22 3HD2 LEU 22 -7.747 7.282 -1.219
180 HD22 LEU 22 1HD2 LEU 22 -6.496 6.496 -0.256
181 HD23 LEU 22 2HD2 LEU 22 -7.309 7.936 0.359
182 H CYS 23 H CYS 23 -8.906 2.718 -1.710
183 HA CYS 23 HA CYS 23 -10.929 2.796 -3.638
184 HB2 CYS 23 1HB CYS 23 -9.876 0.950 -4.723
185 HB3 CYS 23 2HB CYS 23 -8.581 1.807 -3.895
186 H GLN 24 H GLN 24 -10.493 0.084 -1.309
187 HA GLN 24 HA GLN 24 -12.797 -1.350 -1.935
188 HB2 GLN 24 1HB GLN 24 -11.644 -0.801 0.815
189 HB3 GLN 24 2HB GLN 24 -12.826 -2.060 0.459
190 HG2 GLN 24 1HG GLN 24 -11.216 -3.008 -1.221
191 HG3 GLN 24 2HG GLN 24 -10.022 -1.832 -0.668
192 HE21 GLN 24 2HE2 GLN 24 -8.873 -4.028 -0.107
193 HE22 GLN 24 1HE2 GLN 24 -9.184 -4.664 1.435
194 H HIS 25 H HIS 25 -12.553 1.688 -0.171
195 HA HIS 25 HA HIS 25 -15.450 1.634 0.458
196 HB2 HIS 25 1HB HIS 25 -13.772 2.368 2.165
197 HB3 HIS 25 2HB HIS 25 -13.390 3.746 1.132
198 HD1 HIS 25 HD1 HIS 25 -15.907 4.926 0.282
199 HD2 HIS 25 HD2 HIS 25 -15.591 3.192 4.063
200 HE1 HIS 25 HE1 HIS 25 -17.771 5.917 1.685
201 HE2 HIS 25 HE2 HIS 25 -17.588 4.869 3.987
202 H TYR 26 H TYR 26 -13.210 4.041 -1.012
203 HA TYR 26 HA TYR 26 -15.496 5.382 -2.261
204 HB2 TYR 26 1HB TYR 26 -12.562 6.023 -2.592
205 HB3 TYR 26 2HB TYR 26 -13.938 7.096 -2.818
206 HD1 TYR 26 HD1 TYR 26 -15.617 7.043 -0.641
207 HD2 TYR 26 HD2 TYR 26 -11.374 6.368 -0.604
208 HE1 TYR 26 HE1 TYR 26 -15.540 7.657 1.756
209 HE2 TYR 26 HE2 TYR 26 -11.299 6.976 1.803
210 HH TYR 26 HH TYR 26 -13.404 8.657 3.330
211 H ILE 27 H ILE 27 -12.370 4.775 -3.879
212 HA ILE 27 HA ILE 27 -13.531 4.645 -6.439
213 HB ILE 27 HB ILE 27 -11.066 3.022 -5.904
214 HG12 ILE 27 1HG1 ILE 27 -10.640 4.890 -4.462
215 HG13 ILE 27 2HG1 ILE 27 -9.757 5.181 -5.956
216 HG21 ILE 27 1HG2 ILE 27 -11.870 3.275 -8.200
217 HG22 ILE 27 2HG2 ILE 27 -10.331 4.107 -7.987
218 HG23 ILE 27 3HG2 ILE 27 -11.834 5.029 -8.023
219 HD11 ILE 27 3HD1 ILE 27 -10.779 7.219 -5.689
220 HD12 ILE 27 1HD1 ILE 27 -12.181 6.525 -4.888
221 HD13 ILE 27 2HD1 ILE 27 -12.013 6.395 -6.635
222 H GLY 28 H GLY 28 -12.241 1.784 -4.716
223 HA2 GLY 28 1HA GLY 28 -13.617 -0.246 -4.410
224 HA3 GLY 28 2HA GLY 28 -14.499 0.179 -5.878
225 H TRP 29 H TRP 29 -11.779 1.041 -7.018
226 HA TRP 29 HA TRP 29 -11.036 -1.662 -8.017
227 HB2 TRP 29 1HB TRP 29 -11.519 0.611 -9.413
228 HB3 TRP 29 2HB TRP 29 -9.792 0.836 -9.137
229 HD1 TRP 29 HD1 TRP 29 -8.646 -2.003 -9.493
230 HE1 TRP 29 HE1 TRP 29 -8.817 -3.234 -11.764
231 HE3 TRP 29 HE3 TRP 29 -12.517 0.546 -11.569
232 HZ2 TRP 29 HZ2 TRP 29 -10.396 -3.138 -14.133
233 HZ3 TRP 29 HZ3 TRP 29 -13.345 -0.025 -13.812
234 HH2 TRP 29 HH2 TRP 29 -12.299 -1.866 -15.117
235 H CYS 30 H CYS 30 -9.288 -2.630 -7.154
236 HA CYS 30 HA CYS 30 -7.031 -0.966 -6.119
237 HB2 CYS 30 1HB CYS 30 -7.771 -3.475 -4.654
238 HB3 CYS 30 2HB CYS 30 -7.033 -1.995 -4.041
239 HA PRO 31 HA PRO 31 -5.529 -3.728 -9.509
240 HB2 PRO 31 1HB PRO 31 -3.075 -2.489 -8.256
241 HB3 PRO 31 2HB PRO 31 -3.369 -2.897 -9.960
242 HG2 PRO 31 1HG PRO 31 -3.719 -0.424 -9.135
243 HG3 PRO 31 2HG PRO 31 -4.900 -1.165 -10.233
244 HD2 PRO 31 1HD PRO 31 -5.170 -0.552 -7.327
245 HD3 PRO 31 2HD PRO 31 -6.436 -0.642 -8.574
246 H PHE 32 H PHE 32 -2.732 -3.971 -7.422
247 HA PHE 32 HA PHE 32 -3.622 -6.229 -5.883
248 HB2 PHE 32 1HB PHE 32 -3.684 -7.374 -8.027
249 HB3 PHE 32 2HB PHE 32 -2.070 -6.791 -8.428
250 HD1 PHE 32 HD1 PHE 32 -3.847 -8.658 -5.696
251 HD2 PHE 32 HD2 PHE 32 -0.254 -8.214 -8.010
252 HE1 PHE 32 HE1 PHE 32 -2.865 -10.628 -4.552
253 HE2 PHE 32 HE2 PHE 32 0.726 -10.183 -6.866
254 HZ PHE 32 HZ PHE 32 -0.578 -11.390 -5.137
255 H TRP 33 H TRP 33 -2.403 -4.477 -4.614
256 HA TRP 33 HA TRP 33 0.279 -3.855 -4.729
257 HB2 TRP 33 1HB TRP 33 -1.610 -4.366 -2.498
258 HB3 TRP 33 2HB TRP 33 0.082 -4.241 -2.072
259 HD1 TRP 33 HD1 TRP 33 1.058 -1.946 -1.877
260 HE1 TRP 33 HE1 TRP 33 0.236 0.459 -2.332
261 HE3 TRP 33 HE3 TRP 33 -3.326 -2.955 -4.290
262 HZ2 TRP 33 HZ2 TRP 33 -1.966 1.763 -3.540
263 HZ3 TRP 33 HZ3 TRP 33 -4.763 -1.106 -5.091
264 HH2 TRP 33 HH2 TRP 33 -4.089 1.251 -4.733
Start of MODEL 14
1 H1 ASN 1 1H ASN 1 19.808 -8.689 6.616
2 H2 ASN 1 2H ASN 1 19.083 -10.178 6.993
3 H3 ASN 1 3H ASN 1 19.735 -9.211 8.228
4 HA ASN 1 HA ASN 1 17.653 -8.494 8.522
5 HB2 ASN 1 1HB ASN 1 17.026 -6.725 6.690
6 HB3 ASN 1 2HB ASN 1 18.454 -6.451 7.689
7 HD21 ASN 1 2HD2 ASN 1 18.993 -5.089 5.610
8 HD22 ASN 1 1HD2 ASN 1 19.832 -5.904 4.380
9 H GLU 2 H GLU 2 15.518 -7.844 6.978
10 HA GLU 2 HA GLU 2 14.472 -10.409 6.202
11 HB2 GLU 2 1HB GLU 2 13.132 -8.409 7.030
12 HB3 GLU 2 2HB GLU 2 13.349 -7.708 5.428
13 HG2 GLU 2 1HG GLU 2 11.260 -8.837 5.322
14 HG3 GLU 2 2HG GLU 2 12.399 -9.910 4.509
15 H LEU 3 H LEU 3 14.547 -11.396 4.248
16 HA LEU 3 HA LEU 3 16.229 -10.395 2.156
17 HB2 LEU 3 1HB LEU 3 15.524 -12.848 2.728
18 HB3 LEU 3 2HB LEU 3 14.124 -12.506 1.714
19 HG LEU 3 HG LEU 3 15.947 -11.651 -0.012
20 HD11 LEU 3 1HD1 LEU 3 17.888 -11.856 1.459
21 HD12 LEU 3 2HD1 LEU 3 18.029 -13.025 0.148
22 HD13 LEU 3 3HD1 LEU 3 17.521 -13.556 1.751
23 HD21 LEU 3 3HD2 LEU 3 14.450 -13.567 -0.395
24 HD22 LEU 3 1HD2 LEU 3 15.503 -14.596 0.576
25 HD23 LEU 3 2HD2 LEU 3 16.079 -13.939 -0.955
26 H ASP 4 H ASP 4 13.535 -9.024 3.028
27 HA ASP 4 HA ASP 4 12.120 -8.842 0.462
28 HB2 ASP 4 1HB ASP 4 10.642 -7.287 1.636
29 HB3 ASP 4 2HB ASP 4 10.911 -8.708 2.644
30 H VAL 5 H VAL 5 14.441 -8.139 -0.381
31 HA VAL 5 HA VAL 5 15.625 -5.708 0.125
32 HB VAL 5 HB VAL 5 15.260 -7.194 -2.471
33 HG11 VAL 5 1HG1 VAL 5 15.425 -4.912 -3.213
34 HG12 VAL 5 2HG1 VAL 5 17.032 -5.619 -3.379
35 HG13 VAL 5 3HG1 VAL 5 16.673 -4.557 -2.019
36 HG21 VAL 5 3HG2 VAL 5 16.772 -7.953 -0.551
37 HG22 VAL 5 1HG2 VAL 5 17.767 -6.545 -0.926
38 HG23 VAL 5 2HG2 VAL 5 17.529 -7.803 -2.138
39 HA PRO 6 HA PRO 6 12.529 -3.428 -3.078
40 HB2 PRO 6 1HB PRO 6 10.076 -4.800 -2.161
41 HB3 PRO 6 2HB PRO 6 10.583 -4.374 -3.798
42 HG2 PRO 6 1HG PRO 6 10.754 -6.924 -2.498
43 HG3 PRO 6 2HG PRO 6 11.240 -6.503 -4.148
44 HD2 PRO 6 1HD PRO 6 12.997 -7.214 -2.092
45 HD3 PRO 6 2HD PRO 6 13.455 -6.349 -3.575
46 H GLU 7 H GLU 7 13.006 -1.804 -1.583
47 HA GLU 7 HA GLU 7 11.520 -1.724 0.967
48 HB2 GLU 7 1HB GLU 7 14.132 -0.976 0.254
49 HB3 GLU 7 2HB GLU 7 13.298 0.556 0.474
50 HG2 GLU 7 1HG GLU 7 13.489 -1.708 2.484
51 HG3 GLU 7 2HG GLU 7 14.260 -0.126 2.601
52 H GLN 8 H GLN 8 12.306 0.748 -1.539
53 HA GLN 8 HA GLN 8 10.216 2.503 -0.857
54 HB2 GLN 8 1HB GLN 8 11.476 1.916 -3.543
55 HB3 GLN 8 2HB GLN 8 10.237 3.161 -3.335
56 HG2 GLN 8 1HG GLN 8 12.585 4.047 -3.175
57 HG3 GLN 8 2HG GLN 8 11.616 4.347 -1.732
58 HE21 GLN 8 2HE2 GLN 8 12.276 3.347 0.240
59 HE22 GLN 8 1HE2 GLN 8 13.664 2.378 0.369
60 H VAL 9 H VAL 9 10.052 -0.619 -2.046
61 HA VAL 9 HA VAL 9 7.474 -0.408 -3.385
62 HB VAL 9 HB VAL 9 9.168 -2.702 -2.369
63 HG11 VAL 9 1HG1 VAL 9 6.969 -3.514 -1.993
64 HG12 VAL 9 2HG1 VAL 9 7.442 -4.177 -3.559
65 HG13 VAL 9 3HG1 VAL 9 6.362 -2.784 -3.482
66 HG21 VAL 9 3HG2 VAL 9 8.923 -3.266 -4.934
67 HG22 VAL 9 1HG2 VAL 9 10.052 -2.015 -4.425
68 HG23 VAL 9 2HG2 VAL 9 8.478 -1.570 -5.077
69 H ASP 10 H ASP 10 8.511 -2.103 -0.453
70 HA ASP 10 HA ASP 10 6.094 -2.529 0.818
71 HB2 ASP 10 1HB ASP 10 8.143 -3.339 1.784
72 HB3 ASP 10 2HB ASP 10 8.789 -1.705 1.951
73 H LYS 11 H LYS 11 8.039 0.447 0.903
74 HA LYS 11 HA LYS 11 6.236 1.932 2.557
75 HB2 LYS 11 1HB LYS 11 8.667 2.435 1.149
76 HB3 LYS 11 2HB LYS 11 7.525 3.666 0.620
77 HG2 LYS 11 1HG LYS 11 7.024 3.928 3.200
78 HG3 LYS 11 2HG LYS 11 8.584 3.122 3.396
79 HD2 LYS 11 1HD LYS 11 9.506 4.855 1.775
80 HD3 LYS 11 2HD LYS 11 7.980 5.710 1.990
81 HE2 LYS 11 1HE LYS 11 10.107 5.131 4.051
82 HE3 LYS 11 2HE LYS 11 9.408 6.688 3.607
83 HZ1 LYS 11 3HZ LYS 11 8.023 4.469 5.012
84 HZ2 LYS 11 1HZ LYS 11 7.275 5.903 4.501
85 HZ3 LYS 11 2HZ LYS 11 8.492 5.957 5.685
86 H LEU 12 H LEU 12 6.580 1.766 -0.986
87 HA LEU 12 HA LEU 12 4.347 3.350 -1.663
88 HB2 LEU 12 1HB LEU 12 5.940 1.203 -2.924
89 HB3 LEU 12 2HB LEU 12 4.419 1.564 -3.689
90 HG LEU 12 HG LEU 12 6.624 2.790 -4.443
91 HD11 LEU 12 1HD1 LEU 12 3.978 4.179 -3.973
92 HD12 LEU 12 2HD1 LEU 12 4.488 3.307 -5.418
93 HD13 LEU 12 3HD1 LEU 12 5.258 4.835 -4.993
94 HD21 LEU 12 3HD2 LEU 12 6.885 3.622 -1.914
95 HD22 LEU 12 1HD2 LEU 12 5.842 4.919 -2.482
96 HD23 LEU 12 2HD2 LEU 12 7.391 4.613 -3.265
97 H ILE 13 H ILE 13 4.570 -0.207 -1.352
98 HA ILE 13 HA ILE 13 1.855 -0.828 -1.611
99 HB ILE 13 HB ILE 13 3.883 -2.032 0.281
100 HG12 ILE 13 1HG1 ILE 13 3.175 -2.469 -2.628
101 HG13 ILE 13 2HG1 ILE 13 4.742 -2.104 -1.944
102 HG21 ILE 13 1HG2 ILE 13 1.492 -2.634 0.766
103 HG22 ILE 13 2HG2 ILE 13 2.462 -4.007 0.260
104 HG23 ILE 13 3HG2 ILE 13 1.355 -3.240 -0.883
105 HD11 ILE 13 3HD1 ILE 13 4.798 -4.416 -2.460
106 HD12 ILE 13 1HD1 ILE 13 3.209 -4.680 -1.746
107 HD13 ILE 13 2HD1 ILE 13 4.589 -4.316 -0.712
108 H GLN 14 H GLN 14 3.606 -0.126 1.411
109 HA GLN 14 HA GLN 14 1.418 -0.029 3.159
110 HB2 GLN 14 1HB GLN 14 4.104 1.214 3.069
111 HB3 GLN 14 2HB GLN 14 2.986 1.914 4.213
112 HG2 GLN 14 1HG GLN 14 4.496 -0.004 5.053
113 HG3 GLN 14 2HG GLN 14 2.776 -0.125 5.414
114 HE21 GLN 14 2HE2 GLN 14 5.366 -1.442 3.377
115 HE22 GLN 14 1HE2 GLN 14 4.503 -2.809 2.860
116 H GLN 15 H GLN 15 2.679 2.476 0.991
117 HA GLN 15 HA GLN 15 0.682 4.415 1.787
118 HB2 GLN 15 1HB GLN 15 2.794 4.200 -0.283
119 HB3 GLN 15 2HB GLN 15 1.536 5.377 -0.574
120 HG2 GLN 15 1HG GLN 15 1.999 6.355 1.676
121 HG3 GLN 15 2HG GLN 15 3.322 5.202 1.868
122 HE21 GLN 15 2HE2 GLN 15 2.283 8.094 0.102
123 HE22 GLN 15 1HE2 GLN 15 3.805 8.450 -0.561
124 H ALA 16 H ALA 16 0.727 1.630 -0.121
125 HA ALA 16 HA ALA 16 -1.469 2.453 -1.909
126 HB1 ALA 16 3HB ALA 16 -1.157 0.377 -2.999
127 HB2 ALA 16 1HB ALA 16 -0.416 -0.361 -1.576
128 HB3 ALA 16 2HB ALA 16 0.474 0.841 -2.514
129 H THR 17 H THR 17 -0.959 0.774 1.084
130 HA THR 17 HA THR 17 -3.387 -0.710 1.219
131 HB THR 17 HB THR 17 -3.030 -0.612 3.686
132 HG1 THR 17 HG1 THR 17 -0.634 0.663 3.459
133 HG21 THR 17 3HG2 THR 17 -1.842 -2.322 2.501
134 HG22 THR 17 1HG2 THR 17 -0.695 -1.598 3.622
135 HG23 THR 17 2HG2 THR 17 -0.647 -1.169 1.916
136 H SER 18 H SER 18 -2.628 2.660 1.813
137 HA SER 18 HA SER 18 -5.091 3.350 3.112
138 HB2 SER 18 1HB SER 18 -2.851 4.810 1.848
139 HB3 SER 18 2HB SER 18 -4.358 5.690 2.052
140 HG SER 18 HG SER 18 -3.255 5.961 3.930
141 H ILE 19 H ILE 19 -4.052 4.410 -0.127
142 HA ILE 19 HA ILE 19 -6.496 5.151 -1.159
143 HB ILE 19 HB ILE 19 -4.126 3.806 -2.458
144 HG12 ILE 19 1HG1 ILE 19 -5.071 6.685 -2.507
145 HG13 ILE 19 2HG1 ILE 19 -3.909 6.070 -1.330
146 HG21 ILE 19 1HG2 ILE 19 -6.611 5.024 -3.656
147 HG22 ILE 19 2HG2 ILE 19 -5.943 3.419 -3.946
148 HG23 ILE 19 3HG2 ILE 19 -5.111 4.844 -4.563
149 HD11 ILE 19 3HD1 ILE 19 -3.602 6.019 -4.336
150 HD12 ILE 19 1HD1 ILE 19 -2.457 5.327 -3.191
151 HD13 ILE 19 2HD1 ILE 19 -2.731 7.069 -3.222
152 H GLU 20 H GLU 20 -5.230 1.953 -0.586
153 HA GLU 20 HA GLU 20 -7.341 0.599 -2.113
154 HB2 GLU 20 1HB GLU 20 -5.162 -0.318 -0.239
155 HB3 GLU 20 2HB GLU 20 -6.460 -1.422 -0.683
156 HG2 GLU 20 1HG GLU 20 -4.789 0.071 -2.721
157 HG3 GLU 20 2HG GLU 20 -4.410 -1.558 -2.163
158 H ARG 21 H ARG 21 -6.532 0.954 1.349
159 HA ARG 21 HA ARG 21 -8.874 -0.144 2.446
160 HB2 ARG 21 1HB ARG 21 -7.022 2.074 3.318
161 HB3 ARG 21 2HB ARG 21 -8.448 1.687 4.283
162 HG2 ARG 21 1HG ARG 21 -6.600 -0.541 3.433
163 HG3 ARG 21 2HG ARG 21 -6.139 0.489 4.786
164 HD2 ARG 21 1HD ARG 21 -8.890 -0.738 4.702
165 HD3 ARG 21 2HD ARG 21 -7.512 -1.680 5.269
166 HE ARG 21 HE ARG 21 -7.760 0.952 6.534
167 HH11 ARG 21 1HH2 ARG 21 -8.593 -2.395 6.538
168 HH12 ARG 21 2HH2 ARG 21 -8.923 -2.447 8.237
169 HH21 ARG 21 1HH1 ARG 21 -8.187 0.901 8.753
170 HH22 ARG 21 2HH1 ARG 21 -8.694 -0.581 9.491
171 H LEU 22 H LEU 22 -8.277 3.058 1.073
172 HA LEU 22 HA LEU 22 -10.724 4.259 1.745
173 HB2 LEU 22 1HB LEU 22 -8.498 4.674 -0.126
174 HB3 LEU 22 2HB LEU 22 -9.960 5.538 -0.487
175 HG LEU 22 HG LEU 22 -9.880 6.697 1.509
176 HD11 LEU 22 1HD1 LEU 22 -8.091 4.562 2.475
177 HD12 LEU 22 2HD1 LEU 22 -9.469 5.317 3.269
178 HD13 LEU 22 3HD1 LEU 22 -7.928 6.161 3.186
179 HD21 LEU 22 3HD2 LEU 22 -7.782 7.857 1.438
180 HD22 LEU 22 1HD2 LEU 22 -8.184 7.348 -0.198
181 HD23 LEU 22 2HD2 LEU 22 -6.999 6.446 0.738
182 H CYS 23 H CYS 23 -9.666 3.282 -1.465
183 HA CYS 23 HA CYS 23 -12.202 3.238 -2.696
184 HB2 CYS 23 1HB CYS 23 -11.183 2.103 -4.497
185 HB3 CYS 23 2HB CYS 23 -9.842 2.968 -3.749
186 H GLN 24 H GLN 24 -10.566 0.673 -0.869
187 HA GLN 24 HA GLN 24 -12.508 -1.370 -1.433
188 HB2 GLN 24 1HB GLN 24 -10.580 -1.014 0.878
189 HB3 GLN 24 2HB GLN 24 -11.553 -2.463 0.630
190 HG2 GLN 24 1HG GLN 24 -9.757 -1.381 -1.544
191 HG3 GLN 24 2HG GLN 24 -9.148 -2.482 -0.311
192 HE21 GLN 24 2HE2 GLN 24 -8.915 -3.688 -2.621
193 HE22 GLN 24 1HE2 GLN 24 -10.198 -4.740 -2.985
194 H HIS 25 H HIS 25 -12.270 1.107 1.096
195 HA HIS 25 HA HIS 25 -14.703 0.088 2.427
196 HB2 HIS 25 1HB HIS 25 -12.740 1.003 3.711
197 HB3 HIS 25 2HB HIS 25 -13.103 2.591 3.034
198 HD1 HIS 25 HD1 HIS 25 -13.426 3.014 5.772
199 HD2 HIS 25 HD2 HIS 25 -16.411 0.873 3.793
200 HE1 HIS 25 HE1 HIS 25 -15.478 3.097 7.258
201 HE2 HIS 25 HE2 HIS 25 -17.297 1.796 6.064
202 H TYR 26 H TYR 26 -13.681 2.895 0.499
203 HA TYR 26 HA TYR 26 -16.260 4.223 0.718
204 HB2 TYR 26 1HB TYR 26 -13.751 4.623 -0.893
205 HB3 TYR 26 2HB TYR 26 -15.205 5.515 -1.344
206 HD1 TYR 26 HD1 TYR 26 -16.436 6.747 0.657
207 HD2 TYR 26 HD2 TYR 26 -12.344 5.465 0.766
208 HE1 TYR 26 HE1 TYR 26 -15.987 8.322 2.522
209 HE2 TYR 26 HE2 TYR 26 -11.887 7.024 2.633
210 HH TYR 26 HH TYR 26 -14.004 8.262 4.542
211 H ILE 27 H ILE 27 -14.610 2.911 -2.174
212 HA ILE 27 HA ILE 27 -17.236 2.571 -3.474
213 HB ILE 27 HB ILE 27 -14.418 2.056 -4.474
214 HG12 ILE 27 1HG1 ILE 27 -15.322 4.208 -5.872
215 HG13 ILE 27 2HG1 ILE 27 -16.212 4.467 -4.388
216 HG21 ILE 27 1HG2 ILE 27 -15.671 2.203 -6.726
217 HG22 ILE 27 2HG2 ILE 27 -17.138 1.928 -5.787
218 HG23 ILE 27 3HG2 ILE 27 -15.855 0.715 -5.797
219 HD11 ILE 27 3HD1 ILE 27 -14.031 5.631 -4.408
220 HD12 ILE 27 1HD1 ILE 27 -13.219 4.078 -4.593
221 HD13 ILE 27 2HD1 ILE 27 -14.128 4.432 -3.127
222 H GLY 28 H GLY 28 -14.402 0.378 -3.284
223 HA2 GLY 28 1HA GLY 28 -14.713 -1.811 -2.071
224 HA3 GLY 28 2HA GLY 28 -16.319 -1.890 -2.792
225 H TRP 29 H TRP 29 -14.449 -0.528 -5.108
226 HA TRP 29 HA TRP 29 -13.505 -3.139 -6.238
227 HB2 TRP 29 1HB TRP 29 -15.604 -1.335 -7.254
228 HB3 TRP 29 2HB TRP 29 -14.344 -1.598 -8.457
229 HD1 TRP 29 HD1 TRP 29 -16.116 -3.995 -5.940
230 HE1 TRP 29 HE1 TRP 29 -16.828 -6.091 -7.279
231 HE3 TRP 29 HE3 TRP 29 -14.482 -2.666 -10.564
232 HZ2 TRP 29 HZ2 TRP 29 -16.714 -7.059 -9.954
233 HZ3 TRP 29 HZ3 TRP 29 -14.785 -4.166 -12.485
234 HH2 TRP 29 HH2 TRP 29 -15.899 -6.373 -12.207
235 H CYS 30 H CYS 30 -11.385 -2.982 -6.740
236 HA CYS 30 HA CYS 30 -10.307 -0.427 -7.802
237 HB2 CYS 30 1HB CYS 30 -8.708 -1.725 -5.615
238 HB3 CYS 30 2HB CYS 30 -8.816 -0.025 -6.068
239 HA PRO 31 HA PRO 31 -8.561 -4.357 -9.628
240 HB2 PRO 31 1HB PRO 31 -9.386 -4.028 -12.195
241 HB3 PRO 31 2HB PRO 31 -10.445 -4.709 -10.942
242 HG2 PRO 31 1HG PRO 31 -10.378 -1.939 -12.056
243 HG3 PRO 31 2HG PRO 31 -11.773 -2.950 -11.638
244 HD2 PRO 31 1HD PRO 31 -10.782 -0.944 -10.004
245 HD3 PRO 31 2HD PRO 31 -11.705 -2.339 -9.404
246 H PHE 32 H PHE 32 -7.800 -1.198 -9.633
247 HA PHE 32 HA PHE 32 -5.976 -1.177 -11.947
248 HB2 PHE 32 1HB PHE 32 -6.466 0.785 -9.691
249 HB3 PHE 32 2HB PHE 32 -5.273 1.046 -10.962
250 HD1 PHE 32 HD2 PHE 32 -6.065 0.998 -13.398
251 HD2 PHE 32 HD1 PHE 32 -8.754 1.283 -10.059
252 HE1 PHE 32 HE2 PHE 32 -7.844 1.848 -14.902
253 HE2 PHE 32 HE1 PHE 32 -10.532 2.132 -11.565
254 HZ PHE 32 HZ PHE 32 -10.077 2.415 -13.986
255 H TRP 33 H TRP 33 -5.920 -2.612 -8.979
256 HA TRP 33 HA TRP 33 -2.986 -2.226 -8.568
257 HB2 TRP 33 1HB TRP 33 -5.251 -3.077 -6.815
258 HB3 TRP 33 2HB TRP 33 -3.635 -3.612 -6.416
259 HD1 TRP 33 HD1 TRP 33 -2.171 -1.994 -5.166
260 HE1 TRP 33 HE1 TRP 33 -2.310 0.501 -4.505
261 HE3 TRP 33 HE3 TRP 33 -6.334 -0.629 -7.773
262 HZ2 TRP 33 HZ2 TRP 33 -3.961 2.753 -5.012
263 HZ3 TRP 33 HZ3 TRP 33 -7.175 1.703 -7.663
264 HH2 TRP 33 HH2 TRP 33 -5.995 3.395 -6.289
Start of MODEL 15
1 H1 ASN 1 1H ASN 1 15.172 -13.283 6.313
2 H2 ASN 1 2H ASN 1 14.888 -14.744 7.135
3 H3 ASN 1 3H ASN 1 15.954 -13.593 7.786
4 HA ASN 1 HA ASN 1 13.490 -13.822 8.640
5 HB2 ASN 1 1HB ASN 1 14.704 -11.094 8.150
6 HB3 ASN 1 2HB ASN 1 13.711 -11.607 9.515
7 HD21 ASN 1 2HD2 ASN 1 15.059 -11.687 11.320
8 HD22 ASN 1 1HD2 ASN 1 16.604 -12.391 11.347
9 H GLU 2 H GLU 2 13.004 -10.736 7.665
10 HA GLU 2 HA GLU 2 10.694 -11.404 6.075
11 HB2 GLU 2 1HB GLU 2 12.088 -8.822 6.686
12 HB3 GLU 2 2HB GLU 2 10.653 -8.890 5.673
13 HG2 GLU 2 1HG GLU 2 10.036 -8.412 8.007
14 HG3 GLU 2 2HG GLU 2 9.421 -9.991 7.517
15 H LEU 3 H LEU 3 10.654 -11.853 3.926
16 HA LEU 3 HA LEU 3 13.057 -11.625 2.315
17 HB2 LEU 3 1HB LEU 3 10.189 -12.362 1.708
18 HB3 LEU 3 2HB LEU 3 11.398 -12.246 0.434
19 HG LEU 3 HG LEU 3 11.102 -14.573 1.313
20 HD11 LEU 3 1HD1 LEU 3 13.873 -13.778 2.148
21 HD12 LEU 3 2HD1 LEU 3 13.386 -13.454 0.486
22 HD13 LEU 3 3HD1 LEU 3 13.341 -15.099 1.111
23 HD21 LEU 3 3HD2 LEU 3 11.673 -15.148 3.542
24 HD22 LEU 3 1HD2 LEU 3 10.695 -13.689 3.701
25 HD23 LEU 3 2HD2 LEU 3 12.452 -13.593 3.832
26 H ASP 4 H ASP 4 11.380 -9.241 3.478
27 HA ASP 4 HA ASP 4 10.589 -7.715 1.146
28 HB2 ASP 4 1HB ASP 4 10.427 -5.820 2.728
29 HB3 ASP 4 2HB ASP 4 9.635 -7.260 3.371
30 H VAL 5 H VAL 5 12.640 -8.056 -0.098
31 HA VAL 5 HA VAL 5 15.058 -6.774 0.849
32 HB VAL 5 HB VAL 5 14.456 -7.550 -2.006
33 HG11 VAL 5 1HG1 VAL 5 16.515 -6.209 -1.447
34 HG12 VAL 5 2HG1 VAL 5 16.853 -7.785 -2.165
35 HG13 VAL 5 3HG1 VAL 5 17.040 -7.549 -0.427
36 HG21 VAL 5 3HG2 VAL 5 13.915 -9.499 -0.709
37 HG22 VAL 5 1HG2 VAL 5 15.302 -9.253 0.352
38 HG23 VAL 5 2HG2 VAL 5 15.550 -9.748 -1.323
39 HA PRO 6 HA PRO 6 13.635 -3.253 -2.014
40 HB2 PRO 6 1HB PRO 6 11.421 -3.321 -3.313
41 HB3 PRO 6 2HB PRO 6 12.623 -4.537 -3.694
42 HG2 PRO 6 1HG PRO 6 10.178 -4.811 -1.996
43 HG3 PRO 6 2HG PRO 6 10.796 -5.901 -3.254
44 HD2 PRO 6 1HD PRO 6 11.319 -6.142 -0.491
45 HD3 PRO 6 2HD PRO 6 12.237 -6.948 -1.782
46 H GLU 7 H GLU 7 13.575 -1.728 -0.484
47 HA GLU 7 HA GLU 7 11.418 -1.583 1.469
48 HB2 GLU 7 1HB GLU 7 13.757 -1.144 2.127
49 HB3 GLU 7 2HB GLU 7 13.787 0.253 1.051
50 HG2 GLU 7 1HG GLU 7 12.219 1.448 2.358
51 HG3 GLU 7 2HG GLU 7 11.689 -0.004 3.208
52 H GLN 8 H GLN 8 12.757 0.928 -0.770
53 HA GLN 8 HA GLN 8 10.654 2.757 -0.454
54 HB2 GLN 8 1HB GLN 8 12.103 2.102 -3.039
55 HB3 GLN 8 2HB GLN 8 11.115 3.543 -2.767
56 HG2 GLN 8 1HG GLN 8 13.486 2.821 -1.023
57 HG3 GLN 8 2HG GLN 8 13.621 3.863 -2.440
58 HE21 GLN 8 2HE2 GLN 8 11.282 5.395 -2.268
59 HE22 GLN 8 1HE2 GLN 8 11.297 6.304 -0.836
60 H VAL 9 H VAL 9 10.563 -0.347 -1.672
61 HA VAL 9 HA VAL 9 8.198 -0.054 -3.335
62 HB VAL 9 HB VAL 9 9.971 -2.269 -2.323
63 HG11 VAL 9 1HG1 VAL 9 7.105 -2.653 -3.279
64 HG12 VAL 9 2HG1 VAL 9 7.844 -3.272 -1.803
65 HG13 VAL 9 3HG1 VAL 9 8.312 -3.935 -3.367
66 HG21 VAL 9 3HG2 VAL 9 8.857 -1.410 -5.024
67 HG22 VAL 9 1HG2 VAL 9 9.729 -2.924 -4.802
68 HG23 VAL 9 2HG2 VAL 9 10.532 -1.389 -4.475
69 H ASP 10 H ASP 10 8.821 -1.792 -0.279
70 HA ASP 10 HA ASP 10 6.189 -2.189 0.558
71 HB2 ASP 10 1HB ASP 10 8.116 -3.058 1.809
72 HB3 ASP 10 2HB ASP 10 8.595 -1.419 2.252
73 H LYS 11 H LYS 11 8.223 0.690 1.103
74 HA LYS 11 HA LYS 11 6.270 2.232 2.490
75 HB2 LYS 11 1HB LYS 11 8.667 2.908 0.792
76 HB3 LYS 11 2HB LYS 11 7.576 4.204 1.277
77 HG2 LYS 11 1HG LYS 11 9.330 4.069 2.923
78 HG3 LYS 11 2HG LYS 11 7.852 3.469 3.665
79 HD2 LYS 11 1HD LYS 11 9.372 1.309 2.350
80 HD3 LYS 11 2HD LYS 11 10.326 2.122 3.581
81 HE2 LYS 11 1HE LYS 11 7.540 1.010 4.029
82 HE3 LYS 11 2HE LYS 11 9.034 0.189 4.477
83 HZ1 LYS 11 3HZ LYS 11 9.331 2.672 5.529
84 HZ2 LYS 11 1HZ LYS 11 8.854 1.288 6.387
85 HZ3 LYS 11 2HZ LYS 11 7.681 2.355 5.777
86 H LEU 12 H LEU 12 7.034 2.070 -0.988
87 HA LEU 12 HA LEU 12 4.964 3.759 -1.908
88 HB2 LEU 12 1HB LEU 12 6.637 1.577 -3.001
89 HB3 LEU 12 2HB LEU 12 5.244 2.011 -3.951
90 HG LEU 12 HG LEU 12 7.570 3.169 -4.376
91 HD11 LEU 12 1HD1 LEU 12 5.538 3.759 -5.572
92 HD12 LEU 12 2HD1 LEU 12 6.389 5.233 -5.113
93 HD13 LEU 12 3HD1 LEU 12 4.971 4.714 -4.202
94 HD21 LEU 12 3HD2 LEU 12 7.516 3.943 -1.812
95 HD22 LEU 12 1HD2 LEU 12 6.610 5.290 -2.487
96 HD23 LEU 12 2HD2 LEU 12 8.241 4.934 -3.058
97 H ILE 13 H ILE 13 5.018 0.187 -1.665
98 HA ILE 13 HA ILE 13 2.323 -0.294 -2.273
99 HB ILE 13 HB ILE 13 4.073 -1.671 -0.228
100 HG12 ILE 13 1HG1 ILE 13 3.680 -1.950 -3.213
101 HG13 ILE 13 2HG1 ILE 13 5.175 -1.706 -2.343
102 HG21 ILE 13 1HG2 ILE 13 2.577 -3.576 -0.508
103 HG22 ILE 13 2HG2 ILE 13 1.622 -2.683 -1.698
104 HG23 ILE 13 3HG2 ILE 13 1.635 -2.178 -0.012
105 HD11 ILE 13 3HD1 ILE 13 3.497 -4.196 -2.435
106 HD12 ILE 13 1HD1 ILE 13 4.779 -3.954 -1.251
107 HD13 ILE 13 2HD1 ILE 13 5.165 -3.991 -2.972
108 H GLN 14 H GLN 14 3.766 0.260 0.939
109 HA GLN 14 HA GLN 14 1.385 0.352 2.431
110 HB2 GLN 14 1HB GLN 14 4.108 1.479 2.730
111 HB3 GLN 14 2HB GLN 14 2.884 2.166 3.767
112 HG2 GLN 14 1HG GLN 14 4.234 0.127 4.647
113 HG3 GLN 14 2HG GLN 14 2.486 0.108 4.855
114 HE21 GLN 14 2HE2 GLN 14 5.085 -1.136 2.706
115 HE22 GLN 14 1HE2 GLN 14 4.212 -2.493 2.182
116 H GLN 15 H GLN 15 2.932 2.843 0.457
117 HA GLN 15 HA GLN 15 1.012 4.881 1.172
118 HB2 GLN 15 1HB GLN 15 3.170 4.546 -0.833
119 HB3 GLN 15 2HB GLN 15 1.985 5.779 -1.176
120 HG2 GLN 15 1HG GLN 15 2.428 6.780 1.054
121 HG3 GLN 15 2HG GLN 15 3.651 5.541 1.344
122 HE21 GLN 15 2HE2 GLN 15 2.841 7.913 -1.269
123 HE22 GLN 15 1HE2 GLN 15 4.452 8.366 -1.550
124 H ALA 16 H ALA 16 1.016 2.109 -0.771
125 HA ALA 16 HA ALA 16 -1.229 3.013 -2.496
126 HB1 ALA 16 3HB ALA 16 0.755 1.624 -3.358
127 HB2 ALA 16 1HB ALA 16 -0.853 1.025 -3.762
128 HB3 ALA 16 2HB ALA 16 0.065 0.273 -2.454
129 H THR 17 H THR 17 -0.678 1.423 0.472
130 HA THR 17 HA THR 17 -2.931 -0.385 0.410
131 HB THR 17 HB THR 17 -2.656 -0.377 2.913
132 HG1 THR 17 HG1 THR 17 -0.419 1.251 2.365
133 HG21 THR 17 3HG2 THR 17 -0.302 -0.855 1.088
134 HG22 THR 17 1HG2 THR 17 -1.442 -2.037 1.729
135 HG23 THR 17 2HG2 THR 17 -0.261 -1.282 2.798
136 H SER 18 H SER 18 -2.486 2.990 1.253
137 HA SER 18 HA SER 18 -4.975 3.388 2.593
138 HB2 SER 18 1HB SER 18 -2.935 5.107 1.318
139 HB3 SER 18 2HB SER 18 -4.515 5.823 1.591
140 HG SER 18 HG SER 18 -2.543 5.209 3.353
141 H ILE 19 H ILE 19 -4.157 4.656 -0.633
142 HA ILE 19 HA ILE 19 -6.696 5.190 -1.564
143 HB ILE 19 HB ILE 19 -4.241 4.145 -2.979
144 HG12 ILE 19 1HG1 ILE 19 -5.482 6.910 -2.874
145 HG13 ILE 19 2HG1 ILE 19 -4.224 6.372 -1.758
146 HG21 ILE 19 1HG2 ILE 19 -6.861 5.164 -4.067
147 HG22 ILE 19 2HG2 ILE 19 -6.066 3.634 -4.419
148 HG23 ILE 19 3HG2 ILE 19 -5.375 5.138 -5.013
149 HD11 ILE 19 3HD1 ILE 19 -3.984 6.395 -4.771
150 HD12 ILE 19 1HD1 ILE 19 -2.724 5.925 -3.633
151 HD13 ILE 19 2HD1 ILE 19 -3.281 7.597 -3.691
152 H GLU 20 H GLU 20 -5.091 2.119 -1.179
153 HA GLU 20 HA GLU 20 -7.093 0.617 -2.710
154 HB2 GLU 20 1HB GLU 20 -4.801 -0.144 -0.903
155 HB3 GLU 20 2HB GLU 20 -5.957 -1.358 -1.439
156 HG2 GLU 20 1HG GLU 20 -5.461 -0.870 -3.771
157 HG3 GLU 20 2HG GLU 20 -4.403 0.461 -3.301
158 H ARG 21 H ARG 21 -6.278 1.062 0.735
159 HA ARG 21 HA ARG 21 -8.442 -0.401 1.823
160 HB2 ARG 21 1HB ARG 21 -6.755 1.902 2.764
161 HB3 ARG 21 2HB ARG 21 -8.184 1.479 3.706
162 HG2 ARG 21 1HG ARG 21 -6.247 -0.690 2.898
163 HG3 ARG 21 2HG ARG 21 -5.862 0.350 4.266
164 HD2 ARG 21 1HD ARG 21 -8.539 -1.033 4.056
165 HD3 ARG 21 2HD ARG 21 -7.142 -1.834 4.772
166 HE ARG 21 HE ARG 21 -7.179 0.515 6.150
167 HH11 ARG 21 1HH2 ARG 21 -9.629 -1.758 5.283
168 HH12 ARG 21 2HH2 ARG 21 -10.600 -1.444 6.682
169 HH21 ARG 21 1HH1 ARG 21 -8.433 0.930 7.983
170 HH22 ARG 21 2HH1 ARG 21 -9.923 0.076 8.211
171 H LEU 22 H LEU 22 -8.225 2.846 0.492
172 HA LEU 22 HA LEU 22 -10.724 3.828 1.291
173 HB2 LEU 22 1HB LEU 22 -8.699 4.435 -0.740
174 HB3 LEU 22 2HB LEU 22 -10.266 5.111 -1.051
175 HG LEU 22 HG LEU 22 -10.199 6.052 1.222
176 HD11 LEU 22 1HD1 LEU 22 -8.441 4.452 2.040
177 HD12 LEU 22 2HD1 LEU 22 -8.268 6.132 2.521
178 HD13 LEU 22 3HD1 LEU 22 -7.281 5.483 1.208
179 HD21 LEU 22 3HD2 LEU 22 -7.943 6.910 -0.556
180 HD22 LEU 22 1HD2 LEU 22 -8.769 7.917 0.633
181 HD23 LEU 22 2HD2 LEU 22 -9.634 7.349 -0.794
182 H CYS 23 H CYS 23 -9.811 2.727 -1.921
183 HA CYS 23 HA CYS 23 -12.478 2.453 -2.899
184 HB2 CYS 23 1HB CYS 23 -11.510 1.281 -4.766
185 HB3 CYS 23 2HB CYS 23 -10.366 2.535 -4.287
186 H GLN 24 H GLN 24 -10.650 0.440 -0.779
187 HA GLN 24 HA GLN 24 -12.378 -1.921 -1.302
188 HB2 GLN 24 1HB GLN 24 -9.948 -1.471 0.431
189 HB3 GLN 24 2HB GLN 24 -10.897 -2.953 0.499
190 HG2 GLN 24 1HG GLN 24 -10.479 -3.396 -1.849
191 HG3 GLN 24 2HG GLN 24 -9.675 -1.837 -2.040
192 HE21 GLN 24 2HE2 GLN 24 -8.484 -4.548 -2.460
193 HE22 GLN 24 1HE2 GLN 24 -7.172 -4.647 -1.387
194 H HIS 25 H HIS 25 -11.889 0.640 1.055
195 HA HIS 25 HA HIS 25 -13.765 -0.647 2.968
196 HB2 HIS 25 1HB HIS 25 -11.618 0.521 3.695
197 HB3 HIS 25 2HB HIS 25 -12.399 2.040 3.251
198 HD1 HIS 25 HD1 HIS 25 -12.796 -0.894 5.622
199 HD2 HIS 25 HD2 HIS 25 -14.276 2.973 5.114
200 HE1 HIS 25 HE1 HIS 25 -14.145 -0.361 7.701
201 HE2 HIS 25 HE2 HIS 25 -15.050 1.989 7.401
202 H TYR 26 H TYR 26 -13.468 2.727 1.800
203 HA TYR 26 HA TYR 26 -16.098 3.497 2.342
204 HB2 TYR 26 1HB TYR 26 -14.173 4.390 0.196
205 HB3 TYR 26 2HB TYR 26 -15.724 5.176 0.443
206 HD1 TYR 26 HD1 TYR 26 -16.215 5.687 3.096
207 HD2 TYR 26 HD2 TYR 26 -12.351 5.340 1.272
208 HE1 TYR 26 HE1 TYR 26 -15.213 6.980 4.959
209 HE2 TYR 26 HE2 TYR 26 -11.335 6.618 3.131
210 HH TYR 26 HH TYR 26 -11.700 7.583 5.103
211 H ILE 27 H ILE 27 -14.871 2.378 -0.840
212 HA ILE 27 HA ILE 27 -17.692 1.987 -1.708
213 HB ILE 27 HB ILE 27 -15.156 1.772 -3.347
214 HG12 ILE 27 1HG1 ILE 27 -16.323 4.174 -4.054
215 HG13 ILE 27 2HG1 ILE 27 -16.690 4.133 -2.343
216 HG21 ILE 27 1HG2 ILE 27 -17.022 0.692 -4.413
217 HG22 ILE 27 2HG2 ILE 27 -16.814 2.256 -5.200
218 HG23 ILE 27 3HG2 ILE 27 -18.100 2.031 -4.016
219 HD11 ILE 27 3HD1 ILE 27 -14.602 5.230 -2.509
220 HD12 ILE 27 1HD1 ILE 27 -13.983 4.048 -3.661
221 HD13 ILE 27 2HD1 ILE 27 -14.227 3.596 -1.974
222 H GLY 28 H GLY 28 -14.845 0.107 -2.721
223 HA2 GLY 28 1HA GLY 28 -14.633 -2.233 -1.669
224 HA3 GLY 28 2HA GLY 28 -16.356 -2.388 -1.990
225 H TRP 29 H TRP 29 -13.824 -0.953 -4.056
226 HA TRP 29 HA TRP 29 -13.690 -3.210 -5.844
227 HB2 TRP 29 1HB TRP 29 -16.050 -1.831 -6.120
228 HB3 TRP 29 2HB TRP 29 -15.046 -0.980 -7.291
229 HD1 TRP 29 HD1 TRP 29 -15.674 -4.728 -6.403
230 HE1 TRP 29 HE1 TRP 29 -15.870 -6.006 -8.646
231 HE3 TRP 29 HE3 TRP 29 -14.938 -0.898 -9.630
232 HZ2 TRP 29 HZ2 TRP 29 -15.731 -5.452 -11.439
233 HZ3 TRP 29 HZ3 TRP 29 -14.977 -1.263 -12.064
234 HH2 TRP 29 HH2 TRP 29 -15.369 -3.538 -12.995
235 H CYS 30 H CYS 30 -11.788 -3.003 -6.955
236 HA CYS 30 HA CYS 30 -10.782 -0.292 -7.640
237 HB2 CYS 30 1HB CYS 30 -8.825 -2.147 -6.320
238 HB3 CYS 30 2HB CYS 30 -8.864 -0.386 -6.343
239 HA PRO 31 HA PRO 31 -9.781 -3.401 -10.892
240 HB2 PRO 31 1HB PRO 31 -10.715 -2.073 -13.039
241 HB3 PRO 31 2HB PRO 31 -11.817 -2.887 -11.909
242 HG2 PRO 31 1HG PRO 31 -11.154 0.013 -12.138
243 HG3 PRO 31 2HG PRO 31 -12.712 -0.761 -11.809
244 HD2 PRO 31 1HD PRO 31 -11.024 0.328 -9.854
245 HD3 PRO 31 2HD PRO 31 -12.315 -0.852 -9.535
246 H PHE 32 H PHE 32 -7.718 -1.890 -9.812
247 HA PHE 32 HA PHE 32 -6.140 -1.320 -12.208
248 HB2 PHE 32 1HB PHE 32 -6.901 0.869 -10.266
249 HB3 PHE 32 2HB PHE 32 -5.480 0.982 -11.303
250 HD1 PHE 32 HD1 PHE 32 -5.795 0.731 -13.832
251 HD2 PHE 32 HD2 PHE 32 -9.063 1.357 -11.113
252 HE1 PHE 32 HE1 PHE 32 -7.225 1.472 -15.719
253 HE2 PHE 32 HE2 PHE 32 -10.491 2.097 -13.000
254 HZ PHE 32 HZ PHE 32 -9.572 2.154 -15.303
255 H TRP 33 H TRP 33 -6.134 -3.101 -9.820
256 HA TRP 33 HA TRP 33 -3.378 -2.472 -8.848
257 HB2 TRP 33 1HB TRP 33 -5.840 -3.133 -7.314
258 HB3 TRP 33 2HB TRP 33 -4.344 -3.823 -6.739
259 HD1 TRP 33 HD1 TRP 33 -2.772 -2.317 -5.449
260 HE1 TRP 33 HE1 TRP 33 -2.757 0.179 -4.777
261 HE3 TRP 33 HE3 TRP 33 -6.691 -0.645 -8.238
262 HZ2 TRP 33 HZ2 TRP 33 -4.213 2.551 -5.344
263 HZ3 TRP 33 HZ3 TRP 33 -7.367 1.737 -8.152
264 HH2 TRP 33 HH2 TRP 33 -6.135 3.340 -6.720
Start of MODEL 16
1 H1 ASN 1 1H ASN 1 13.342 -8.065 9.507
2 H2 ASN 1 2H ASN 1 14.277 -7.225 8.364
3 H3 ASN 1 3H ASN 1 14.596 -7.045 10.023
4 HA ASN 1 HA ASN 1 16.200 -8.554 9.635
5 HB2 ASN 1 1HB ASN 1 14.192 -9.665 10.911
6 HB3 ASN 1 2HB ASN 1 13.971 -10.579 9.417
7 HD21 ASN 1 2HD2 ASN 1 16.576 -9.722 11.768
8 HD22 ASN 1 1HD2 ASN 1 17.401 -11.196 11.612
9 H GLU 2 H GLU 2 13.525 -9.807 7.632
10 HA GLU 2 HA GLU 2 14.954 -11.157 5.698
11 HB2 GLU 2 1HB GLU 2 12.432 -10.882 5.853
12 HB3 GLU 2 2HB GLU 2 12.631 -9.340 5.022
13 HG2 GLU 2 1HG GLU 2 13.536 -10.407 3.073
14 HG3 GLU 2 2HG GLU 2 13.690 -11.951 3.912
15 H LEU 3 H LEU 3 16.252 -10.635 4.010
16 HA LEU 3 HA LEU 3 17.432 -8.016 3.867
17 HB2 LEU 3 1HB LEU 3 18.400 -10.329 3.159
18 HB3 LEU 3 2HB LEU 3 17.558 -10.041 1.640
19 HG LEU 3 HG LEU 3 18.780 -7.689 1.739
20 HD11 LEU 3 1HD1 LEU 3 21.048 -7.921 2.773
21 HD12 LEU 3 2HD1 LEU 3 20.523 -9.433 3.508
22 HD13 LEU 3 3HD1 LEU 3 19.750 -7.916 3.963
23 HD21 LEU 3 3HD2 LEU 3 20.705 -8.676 0.518
24 HD22 LEU 3 1HD2 LEU 3 19.172 -9.379 0.001
25 HD23 LEU 3 2HD2 LEU 3 20.230 -10.276 1.090
26 H ASP 4 H ASP 4 14.451 -8.416 3.296
27 HA ASP 4 HA ASP 4 13.976 -7.712 0.556
28 HB2 ASP 4 1HB ASP 4 11.729 -6.949 1.441
29 HB3 ASP 4 2HB ASP 4 12.151 -8.612 1.856
30 H VAL 5 H VAL 5 15.999 -6.107 0.993
31 HA VAL 5 HA VAL 5 15.838 -3.665 2.215
32 HB VAL 5 HB VAL 5 16.917 -4.284 -0.538
33 HG11 VAL 5 1HG1 VAL 5 17.084 -1.777 1.146
34 HG12 VAL 5 2HG1 VAL 5 16.583 -1.918 -0.540
35 HG13 VAL 5 3HG1 VAL 5 18.274 -2.157 -0.099
36 HG21 VAL 5 3HG2 VAL 5 19.058 -4.307 0.660
37 HG22 VAL 5 1HG2 VAL 5 17.938 -5.457 1.393
38 HG23 VAL 5 2HG2 VAL 5 18.232 -3.898 2.165
39 HA PRO 6 HA PRO 6 13.397 -2.046 -2.029
40 HB2 PRO 6 1HB PRO 6 11.441 -4.200 -1.334
41 HB3 PRO 6 2HB PRO 6 11.805 -3.461 -2.902
42 HG2 PRO 6 1HG PRO 6 12.870 -5.872 -1.931
43 HG3 PRO 6 2HG PRO 6 13.457 -4.957 -3.330
44 HD2 PRO 6 1HD PRO 6 14.893 -5.382 -0.946
45 HD3 PRO 6 2HD PRO 6 15.283 -4.174 -2.180
46 H GLU 7 H GLU 7 13.046 -0.262 -0.755
47 HA GLU 7 HA GLU 7 11.091 -0.395 1.449
48 HB2 GLU 7 1HB GLU 7 13.333 0.846 1.620
49 HB3 GLU 7 2HB GLU 7 12.614 2.052 0.553
50 HG2 GLU 7 1HG GLU 7 10.743 2.326 2.158
51 HG3 GLU 7 2HG GLU 7 11.514 1.165 3.237
52 H GLN 8 H GLN 8 11.660 1.576 -1.506
53 HA GLN 8 HA GLN 8 9.121 2.853 -1.457
54 HB2 GLN 8 1HB GLN 8 10.744 2.022 -3.885
55 HB3 GLN 8 2HB GLN 8 9.398 3.167 -3.899
56 HG2 GLN 8 1HG GLN 8 11.401 4.485 -3.792
57 HG3 GLN 8 2HG GLN 8 10.696 4.521 -2.175
58 HE21 GLN 8 2HE2 GLN 8 12.795 2.149 -3.923
59 HE22 GLN 8 1HE2 GLN 8 13.942 2.032 -2.678
60 H VAL 9 H VAL 9 9.939 -0.355 -1.756
61 HA VAL 9 HA VAL 9 7.632 -1.162 -3.367
62 HB VAL 9 HB VAL 9 9.871 -2.586 -1.920
63 HG11 VAL 9 1HG1 VAL 9 8.742 -4.757 -2.669
64 HG12 VAL 9 2HG1 VAL 9 7.268 -3.812 -2.879
65 HG13 VAL 9 3HG1 VAL 9 8.007 -3.953 -1.282
66 HG21 VAL 9 3HG2 VAL 9 8.842 -2.462 -4.768
67 HG22 VAL 9 1HG2 VAL 9 9.959 -3.718 -4.244
68 HG23 VAL 9 2HG2 VAL 9 10.435 -2.023 -4.152
69 H ASP 10 H ASP 10 8.704 -1.902 -0.044
70 HA ASP 10 HA ASP 10 6.282 -2.772 1.032
71 HB2 ASP 10 1HB ASP 10 8.302 -2.805 2.375
72 HB3 ASP 10 2HB ASP 10 8.433 -1.046 2.306
73 H LYS 11 H LYS 11 7.418 0.577 0.638
74 HA LYS 11 HA LYS 11 5.135 1.853 1.794
75 HB2 LYS 11 1HB LYS 11 7.039 2.757 -0.384
76 HB3 LYS 11 2HB LYS 11 5.787 3.792 0.299
77 HG2 LYS 11 1HG LYS 11 6.967 2.966 2.611
78 HG3 LYS 11 2HG LYS 11 8.350 2.844 1.528
79 HD2 LYS 11 1HD LYS 11 8.058 5.182 0.855
80 HD3 LYS 11 2HD LYS 11 6.618 5.307 1.865
81 HE2 LYS 11 1HE LYS 11 8.767 6.215 2.899
82 HE3 LYS 11 2HE LYS 11 7.889 5.037 3.875
83 HZ1 LYS 11 3HZ LYS 11 9.934 4.072 2.010
84 HZ2 LYS 11 1HZ LYS 11 9.439 3.426 3.499
85 HZ3 LYS 11 2HZ LYS 11 10.441 4.797 3.461
86 H LEU 12 H LEU 12 5.906 1.023 -1.579
87 HA LEU 12 HA LEU 12 3.447 1.807 -2.737
88 HB2 LEU 12 1HB LEU 12 5.674 -0.028 -3.383
89 HB3 LEU 12 2HB LEU 12 4.221 -0.239 -4.320
90 HG LEU 12 HG LEU 12 6.130 1.373 -5.153
91 HD11 LEU 12 1HD1 LEU 12 3.186 2.066 -5.191
92 HD12 LEU 12 2HD1 LEU 12 4.075 1.105 -6.371
93 HD13 LEU 12 3HD1 LEU 12 4.386 2.834 -6.230
94 HD21 LEU 12 3HD2 LEU 12 4.601 3.539 -3.750
95 HD22 LEU 12 1HD2 LEU 12 6.261 3.526 -4.341
96 HD23 LEU 12 2HD2 LEU 12 5.855 2.704 -2.850
97 H ILE 13 H ILE 13 4.516 -1.448 -1.694
98 HA ILE 13 HA ILE 13 2.085 -2.808 -1.966
99 HB ILE 13 HB ILE 13 4.130 -3.050 0.247
100 HG12 ILE 13 1HG1 ILE 13 3.886 -4.193 -2.541
101 HG13 ILE 13 2HG1 ILE 13 5.227 -3.307 -1.855
102 HG21 ILE 13 1HG2 ILE 13 1.918 -4.171 0.692
103 HG22 ILE 13 2HG2 ILE 13 3.267 -5.286 0.580
104 HG23 ILE 13 3HG2 ILE 13 2.156 -5.107 -0.781
105 HD11 ILE 13 3HD1 ILE 13 5.925 -5.564 -1.860
106 HD12 ILE 13 1HD1 ILE 13 4.370 -6.118 -1.239
107 HD13 ILE 13 2HD1 ILE 13 5.468 -5.217 -0.193
108 H GLN 14 H GLN 14 3.272 -1.025 0.878
109 HA GLN 14 HA GLN 14 0.998 -1.220 2.506
110 HB2 GLN 14 1HB GLN 14 3.177 0.761 2.161
111 HB3 GLN 14 2HB GLN 14 1.814 1.273 3.124
112 HG2 GLN 14 1HG GLN 14 2.139 -0.503 4.690
113 HG3 GLN 14 2HG GLN 14 3.261 -1.337 3.613
114 HE21 GLN 14 2HE2 GLN 14 3.859 1.985 3.416
115 HE22 GLN 14 1HE2 GLN 14 5.131 2.080 4.535
116 H GLN 15 H GLN 15 1.715 1.037 -0.131
117 HA GLN 15 HA GLN 15 -0.792 2.443 0.082
118 HB2 GLN 15 1HB GLN 15 1.477 2.332 -1.817
119 HB3 GLN 15 2HB GLN 15 -0.015 2.980 -2.446
120 HG2 GLN 15 1HG GLN 15 -0.052 4.576 -0.502
121 HG3 GLN 15 2HG GLN 15 1.538 3.965 -0.038
122 HE21 GLN 15 2HE2 GLN 15 1.526 3.755 -3.341
123 HE22 GLN 15 1HE2 GLN 15 2.188 5.270 -3.730
124 H ALA 16 H ALA 16 0.136 -0.604 -1.075
125 HA ALA 16 HA ALA 16 -2.029 -0.839 -3.058
126 HB1 ALA 16 3HB ALA 16 -0.345 -3.105 -1.977
127 HB2 ALA 16 1HB ALA 16 0.280 -1.986 -3.189
128 HB3 ALA 16 2HB ALA 16 -1.130 -2.976 -3.551
129 H THR 17 H THR 17 -1.464 -1.500 0.292
130 HA THR 17 HA THR 17 -3.891 -3.202 0.508
131 HB THR 17 HB THR 17 -3.138 -3.150 3.002
132 HG1 THR 17 HG1 THR 17 -0.833 -2.170 1.681
133 HG21 THR 17 3HG2 THR 17 -1.421 -4.395 0.840
134 HG22 THR 17 1HG2 THR 17 -2.838 -5.117 1.602
135 HG23 THR 17 2HG2 THR 17 -1.369 -4.853 2.543
136 H SER 18 H SER 18 -2.942 0.035 0.679
137 HA SER 18 HA SER 18 -5.111 0.855 2.501
138 HB2 SER 18 1HB SER 18 -2.685 2.118 1.385
139 HB3 SER 18 2HB SER 18 -4.032 3.181 1.754
140 HG SER 18 HG SER 18 -2.338 1.798 3.414
141 H ILE 19 H ILE 19 -3.924 2.085 -0.620
142 HA ILE 19 HA ILE 19 -6.023 3.490 -1.569
143 HB ILE 19 HB ILE 19 -4.310 1.492 -3.045
144 HG12 ILE 19 1HG1 ILE 19 -4.146 4.512 -2.781
145 HG13 ILE 19 2HG1 ILE 19 -3.216 3.388 -1.789
146 HG21 ILE 19 1HG2 ILE 19 -4.915 2.954 -5.018
147 HG22 ILE 19 2HG2 ILE 19 -6.176 3.656 -4.009
148 HG23 ILE 19 3HG2 ILE 19 -6.219 1.943 -4.410
149 HD11 ILE 19 3HD1 ILE 19 -2.358 2.386 -3.962
150 HD12 ILE 19 1HD1 ILE 19 -1.789 4.013 -3.595
151 HD13 ILE 19 2HD1 ILE 19 -3.076 3.774 -4.776
152 H GLU 20 H GLU 20 -5.864 0.043 -1.156
153 HA GLU 20 HA GLU 20 -8.373 -0.449 -2.629
154 HB2 GLU 20 1HB GLU 20 -8.014 -2.741 -2.243
155 HB3 GLU 20 2HB GLU 20 -6.377 -2.107 -2.367
156 HG2 GLU 20 1HG GLU 20 -6.378 -1.905 0.165
157 HG3 GLU 20 2HG GLU 20 -7.892 -2.812 0.161
158 H ARG 21 H ARG 21 -7.259 -0.461 0.740
159 HA ARG 21 HA ARG 21 -9.870 -0.920 1.861
160 HB2 ARG 21 1HB ARG 21 -7.201 0.004 2.901
161 HB3 ARG 21 2HB ARG 21 -8.622 0.157 3.934
162 HG2 ARG 21 1HG ARG 21 -8.922 -2.443 3.147
163 HG3 ARG 21 2HG ARG 21 -7.172 -2.304 3.038
164 HD2 ARG 21 1HD ARG 21 -7.349 -1.237 5.413
165 HD3 ARG 21 2HD ARG 21 -8.949 -1.976 5.441
166 HE ARG 21 HE ARG 21 -7.914 -4.107 5.598
167 HH11 ARG 21 1HH2 ARG 21 -5.699 -1.600 4.766
168 HH12 ARG 21 2HH2 ARG 21 -4.293 -2.587 4.984
169 HH21 ARG 21 1HH1 ARG 21 -6.090 -5.411 5.890
170 HH22 ARG 21 2HH1 ARG 21 -4.514 -4.745 5.619
171 H LEU 22 H LEU 22 -8.075 1.929 0.838
172 HA LEU 22 HA LEU 22 -9.615 3.879 2.138
173 HB2 LEU 22 1HB LEU 22 -7.743 3.718 -0.110
174 HB3 LEU 22 2HB LEU 22 -8.719 5.154 -0.025
175 HG LEU 22 HG LEU 22 -7.860 5.730 2.035
176 HD11 LEU 22 1HD1 LEU 22 -7.798 3.958 3.466
177 HD12 LEU 22 2HD1 LEU 22 -6.078 4.134 3.136
178 HD13 LEU 22 3HD1 LEU 22 -7.014 2.918 2.286
179 HD21 LEU 22 3HD2 LEU 22 -5.440 5.850 1.670
180 HD22 LEU 22 1HD2 LEU 22 -6.328 6.132 0.174
181 HD23 LEU 22 2HD2 LEU 22 -5.581 4.564 0.473
182 H CYS 23 H CYS 23 -9.630 3.146 -1.318
183 HA CYS 23 HA CYS 23 -11.960 4.447 -2.086
184 HB2 CYS 23 1HB CYS 23 -12.337 2.503 -3.729
185 HB3 CYS 23 2HB CYS 23 -10.782 3.328 -3.812
186 H GLN 24 H GLN 24 -11.909 1.060 -0.889
187 HA GLN 24 HA GLN 24 -14.639 0.543 -0.829
188 HB2 GLN 24 1HB GLN 24 -12.380 -0.243 1.004
189 HB3 GLN 24 2HB GLN 24 -14.026 -0.730 1.403
190 HG2 GLN 24 1HG GLN 24 -12.688 -2.411 0.035
191 HG3 GLN 24 2HG GLN 24 -14.254 -1.963 -0.638
192 HE21 GLN 24 2HE2 GLN 24 -11.065 -2.420 -1.517
193 HE22 GLN 24 1HE2 GLN 24 -11.009 -1.414 -2.883
194 H HIS 25 H HIS 25 -12.766 2.389 1.590
195 HA HIS 25 HA HIS 25 -15.282 3.086 3.020
196 HB2 HIS 25 1HB HIS 25 -13.284 2.421 4.342
197 HB3 HIS 25 2HB HIS 25 -12.401 3.785 3.663
198 HD1 HIS 25 HD1 HIS 25 -12.367 5.713 5.237
199 HD2 HIS 25 HD2 HIS 25 -15.944 3.582 5.515
200 HE1 HIS 25 HE1 HIS 25 -13.770 6.891 6.988
201 HE2 HIS 25 HE2 HIS 25 -15.948 5.604 7.165
202 H TYR 26 H TYR 26 -12.454 4.802 1.660
203 HA TYR 26 HA TYR 26 -13.552 7.414 1.800
204 HB2 TYR 26 1HB TYR 26 -11.426 6.148 0.080
205 HB3 TYR 26 2HB TYR 26 -11.872 7.837 -0.125
206 HD1 TYR 26 HD1 TYR 26 -11.135 5.474 2.675
207 HD2 TYR 26 HD2 TYR 26 -10.580 9.390 1.047
208 HE1 TYR 26 HE1 TYR 26 -9.627 6.025 4.559
209 HE2 TYR 26 HE2 TYR 26 -9.086 9.969 2.941
210 HH TYR 26 HH TYR 26 -7.562 8.564 4.568
211 H ILE 27 H ILE 27 -12.882 5.814 -1.297
212 HA ILE 27 HA ILE 27 -15.333 7.057 -2.440
213 HB ILE 27 HB ILE 27 -13.007 5.688 -3.824
214 HG12 ILE 27 1HG1 ILE 27 -12.729 8.282 -4.482
215 HG13 ILE 27 2HG1 ILE 27 -13.474 8.517 -2.910
216 HG21 ILE 27 1HG2 ILE 27 -15.375 7.300 -4.809
217 HG22 ILE 27 2HG2 ILE 27 -14.968 5.631 -5.210
218 HG23 ILE 27 3HG2 ILE 27 -13.962 6.952 -5.805
219 HD11 ILE 27 3HD1 ILE 27 -11.626 6.739 -2.175
220 HD12 ILE 27 1HD1 ILE 27 -11.233 8.448 -2.319
221 HD13 ILE 27 2HD1 ILE 27 -10.814 7.334 -3.617
222 H GLY 28 H GLY 28 -13.710 4.079 -3.490
223 HA2 GLY 28 1HA GLY 28 -14.986 1.930 -2.680
224 HA3 GLY 28 2HA GLY 28 -16.354 2.705 -3.484
225 H TRP 29 H TRP 29 -13.903 3.765 -5.282
226 HA TRP 29 HA TRP 29 -14.318 1.672 -7.324
227 HB2 TRP 29 1HB TRP 29 -14.285 4.293 -7.664
228 HB3 TRP 29 2HB TRP 29 -12.535 4.079 -7.708
229 HD1 TRP 29 HD1 TRP 29 -12.349 1.366 -9.314
230 HE1 TRP 29 HE1 TRP 29 -13.041 1.311 -11.804
231 HE3 TRP 29 HE3 TRP 29 -15.301 5.499 -9.488
232 HZ2 TRP 29 HZ2 TRP 29 -14.634 2.821 -13.614
233 HZ3 TRP 29 HZ3 TRP 29 -16.393 6.176 -11.580
234 HH2 TRP 29 HH2 TRP 29 -16.076 4.852 -13.663
235 H CYS 30 H CYS 30 -12.981 -0.046 -7.314
236 HA CYS 30 HA CYS 30 -10.097 0.334 -7.255
237 HB2 CYS 30 1HB CYS 30 -11.575 -0.702 -4.886
238 HB3 CYS 30 2HB CYS 30 -10.088 -1.548 -5.310
239 HA PRO 31 HA PRO 31 -11.163 -2.860 -10.343
240 HB2 PRO 31 1HB PRO 31 -8.182 -3.185 -10.056
241 HB3 PRO 31 2HB PRO 31 -9.179 -3.225 -11.524
242 HG2 PRO 31 1HG PRO 31 -7.831 -1.042 -10.894
243 HG3 PRO 31 2HG PRO 31 -9.479 -0.927 -11.538
244 HD2 PRO 31 1HD PRO 31 -8.519 -0.482 -8.746
245 HD3 PRO 31 2HD PRO 31 -9.901 0.252 -9.589
246 H PHE 32 H PHE 32 -8.329 -4.257 -8.661
247 HA PHE 32 HA PHE 32 -9.821 -5.932 -6.882
248 HB2 PHE 32 1HB PHE 32 -10.713 -7.005 -8.861
249 HB3 PHE 32 2HB PHE 32 -9.112 -7.114 -9.585
250 HD1 PHE 32 HD1 PHE 32 -10.909 -8.107 -6.438
251 HD2 PHE 32 HD2 PHE 32 -7.964 -9.150 -9.390
252 HE1 PHE 32 HE1 PHE 32 -10.582 -10.305 -5.338
253 HE2 PHE 32 HE2 PHE 32 -7.639 -11.346 -8.287
254 HZ PHE 32 HZ PHE 32 -8.947 -11.924 -6.262
255 H TRP 33 H TRP 33 -7.760 -4.889 -5.904
256 HA TRP 33 HA TRP 33 -5.135 -5.580 -6.500
257 HB2 TRP 33 1HB TRP 33 -6.596 -5.047 -3.971
258 HB3 TRP 33 2HB TRP 33 -5.005 -5.752 -3.809
259 HD1 TRP 33 HD1 TRP 33 -3.043 -4.221 -4.009
260 HE1 TRP 33 HE1 TRP 33 -2.676 -1.740 -4.636
261 HE3 TRP 33 HE3 TRP 33 -7.710 -3.054 -5.651
262 HZ2 TRP 33 HZ2 TRP 33 -4.171 0.434 -5.687
263 HZ3 TRP 33 HZ3 TRP 33 -8.217 -0.772 -6.465
264 HH2 TRP 33 HH2 TRP 33 -6.461 0.973 -6.497
Start of MODEL 17
1 H1 ASN 1 1H ASN 1 8.335 -15.927 -3.194
2 H2 ASN 1 2H ASN 1 7.595 -15.590 -1.702
3 H3 ASN 1 3H ASN 1 8.593 -16.954 -1.870
4 HA ASN 1 HA ASN 1 9.621 -15.009 -0.689
5 HB2 ASN 1 1HB ASN 1 10.947 -15.970 -3.246
6 HB3 ASN 1 2HB ASN 1 11.771 -15.305 -1.835
7 HD21 ASN 1 2HD2 ASN 1 10.210 -18.172 -3.135
8 HD22 ASN 1 1HD2 ASN 1 10.555 -19.187 -1.819
9 H GLU 2 H GLU 2 8.298 -13.072 -1.105
10 HA GLU 2 HA GLU 2 8.478 -11.640 -3.595
11 HB2 GLU 2 1HB GLU 2 7.802 -10.645 -0.840
12 HB3 GLU 2 2HB GLU 2 7.529 -9.752 -2.330
13 HG2 GLU 2 1HG GLU 2 6.115 -11.675 -3.131
14 HG3 GLU 2 2HG GLU 2 6.266 -12.387 -1.524
15 H LEU 3 H LEU 3 10.304 -10.730 -4.364
16 HA LEU 3 HA LEU 3 12.610 -10.262 -2.685
17 HB2 LEU 3 1HB LEU 3 12.480 -10.781 -5.246
18 HB3 LEU 3 2HB LEU 3 12.232 -9.046 -5.418
19 HG LEU 3 HG LEU 3 14.369 -8.897 -3.838
20 HD11 LEU 3 1HD1 LEU 3 14.920 -11.507 -5.269
21 HD12 LEU 3 2HD1 LEU 3 14.365 -11.453 -3.597
22 HD13 LEU 3 3HD1 LEU 3 15.903 -10.714 -4.039
23 HD21 LEU 3 3HD2 LEU 3 15.791 -8.797 -5.837
24 HD22 LEU 3 1HD2 LEU 3 14.220 -8.073 -6.182
25 HD23 LEU 3 2HD2 LEU 3 14.589 -9.698 -6.759
26 H ASP 4 H ASP 4 9.898 -8.712 -2.437
27 HA ASP 4 HA ASP 4 10.611 -5.940 -2.856
28 HB2 ASP 4 1HB ASP 4 8.619 -5.538 -1.299
29 HB3 ASP 4 2HB ASP 4 8.273 -6.437 -2.778
30 H VAL 5 H VAL 5 12.762 -6.042 -1.741
31 HA VAL 5 HA VAL 5 12.601 -6.129 1.213
32 HB VAL 5 HB VAL 5 15.081 -6.081 -0.503
33 HG11 VAL 5 1HG1 VAL 5 14.578 -6.865 2.382
34 HG12 VAL 5 2HG1 VAL 5 15.392 -5.395 1.845
35 HG13 VAL 5 3HG1 VAL 5 16.128 -6.970 1.547
36 HG21 VAL 5 3HG2 VAL 5 15.129 -8.516 -0.152
37 HG22 VAL 5 1HG2 VAL 5 13.657 -8.049 -1.004
38 HG23 VAL 5 2HG2 VAL 5 13.598 -8.430 0.718
39 HA PRO 6 HA PRO 6 14.873 -1.965 0.150
40 HB2 PRO 6 1HB PRO 6 13.139 -0.934 -1.990
41 HB3 PRO 6 2HB PRO 6 14.884 -0.805 -1.810
42 HG2 PRO 6 1HG PRO 6 13.805 -2.504 -3.571
43 HG3 PRO 6 2HG PRO 6 15.284 -2.895 -2.682
44 HD2 PRO 6 1HD PRO 6 12.489 -3.903 -2.212
45 HD3 PRO 6 2HD PRO 6 14.042 -4.758 -2.071
46 H GLU 7 H GLU 7 14.287 0.190 0.883
47 HA GLU 7 HA GLU 7 12.062 0.014 2.720
48 HB2 GLU 7 1HB GLU 7 13.746 2.441 2.052
49 HB3 GLU 7 2HB GLU 7 12.779 2.191 3.507
50 HG2 GLU 7 1HG GLU 7 15.116 0.442 2.683
51 HG3 GLU 7 2HG GLU 7 15.211 1.739 3.874
52 H GLN 8 H GLN 8 12.779 2.388 0.120
53 HA GLN 8 HA GLN 8 10.195 3.529 0.118
54 HB2 GLN 8 1HB GLN 8 11.792 3.118 -2.423
55 HB3 GLN 8 2HB GLN 8 10.686 4.433 -2.037
56 HG2 GLN 8 1HG GLN 8 12.736 5.479 -1.661
57 HG3 GLN 8 2HG GLN 8 12.379 4.879 -0.043
58 HE21 GLN 8 2HE2 GLN 8 12.996 2.069 -1.569
59 HE22 GLN 8 1HE2 GLN 8 14.679 1.969 -1.386
60 H VAL 9 H VAL 9 11.129 0.418 -0.569
61 HA VAL 9 HA VAL 9 8.906 -0.157 -2.409
62 HB VAL 9 HB VAL 9 11.271 -1.727 -1.287
63 HG11 VAL 9 1HG1 VAL 9 10.136 -3.729 -2.522
64 HG12 VAL 9 2HG1 VAL 9 8.630 -2.851 -2.276
65 HG13 VAL 9 3HG1 VAL 9 9.596 -3.352 -0.888
66 HG21 VAL 9 3HG2 VAL 9 11.531 -2.237 -3.701
67 HG22 VAL 9 1HG2 VAL 9 11.430 -0.495 -3.440
68 HG23 VAL 9 2HG2 VAL 9 10.037 -1.379 -4.057
69 H ASP 10 H ASP 10 9.972 -1.583 0.693
70 HA ASP 10 HA ASP 10 7.492 -2.669 1.436
71 HB2 ASP 10 1HB ASP 10 9.498 -3.112 2.755
72 HB3 ASP 10 2HB ASP 10 9.621 -1.410 3.204
73 H LYS 11 H LYS 11 8.677 0.677 1.824
74 HA LYS 11 HA LYS 11 6.409 1.626 3.307
75 HB2 LYS 11 1HB LYS 11 8.281 3.072 1.410
76 HB3 LYS 11 2HB LYS 11 7.081 3.875 2.422
77 HG2 LYS 11 1HG LYS 11 8.294 2.455 4.358
78 HG3 LYS 11 2HG LYS 11 9.639 2.515 3.220
79 HD2 LYS 11 1HD LYS 11 9.395 4.991 3.121
80 HD3 LYS 11 2HD LYS 11 8.121 4.882 4.335
81 HE2 LYS 11 1HE LYS 11 10.208 5.409 5.465
82 HE3 LYS 11 2HE LYS 11 9.757 3.752 5.867
83 HZ1 LYS 11 3HZ LYS 11 11.843 4.694 4.003
84 HZ2 LYS 11 1HZ LYS 11 11.203 3.129 3.878
85 HZ3 LYS 11 2HZ LYS 11 11.988 3.611 5.304
86 H LEU 12 H LEU 12 7.168 1.645 -0.168
87 HA LEU 12 HA LEU 12 4.762 2.744 -1.129
88 HB2 LEU 12 1HB LEU 12 6.891 0.955 -2.141
89 HB3 LEU 12 2HB LEU 12 5.435 0.997 -3.091
90 HG LEU 12 HG LEU 12 7.431 2.654 -3.598
91 HD11 LEU 12 1HD1 LEU 12 4.533 3.531 -3.516
92 HD12 LEU 12 2HD1 LEU 12 5.330 2.658 -4.824
93 HD13 LEU 12 3HD1 LEU 12 5.797 4.320 -4.462
94 HD21 LEU 12 3HD2 LEU 12 5.956 4.583 -1.838
95 HD22 LEU 12 1HD2 LEU 12 7.625 4.611 -2.399
96 HD23 LEU 12 2HD2 LEU 12 7.159 3.547 -1.087
97 H ILE 13 H ILE 13 5.629 -0.680 -0.692
98 HA ILE 13 HA ILE 13 3.100 -1.797 -1.228
99 HB ILE 13 HB ILE 13 5.251 -2.621 0.739
100 HG12 ILE 13 1HG1 ILE 13 4.779 -3.041 -2.211
101 HG13 ILE 13 2HG1 ILE 13 6.232 -2.509 -1.399
102 HG21 ILE 13 1HG2 ILE 13 4.301 -4.838 0.690
103 HG22 ILE 13 2HG2 ILE 13 3.103 -4.355 -0.511
104 HG23 ILE 13 3HG2 ILE 13 3.015 -3.724 1.131
105 HD11 ILE 13 3HD1 ILE 13 6.396 -4.794 -0.366
106 HD12 ILE 13 1HD1 ILE 13 6.604 -4.751 -2.115
107 HD13 ILE 13 2HD1 ILE 13 5.077 -5.291 -1.426
108 H GLN 14 H GLN 14 4.470 -0.923 1.947
109 HA GLN 14 HA GLN 14 2.129 -1.320 3.461
110 HB2 GLN 14 1HB GLN 14 4.611 0.269 3.792
111 HB3 GLN 14 2HB GLN 14 3.302 0.639 4.883
112 HG2 GLN 14 1HG GLN 14 3.222 -1.662 5.654
113 HG3 GLN 14 2HG GLN 14 4.403 -2.149 4.438
114 HE21 GLN 14 2HE2 GLN 14 5.509 0.809 5.272
115 HE22 GLN 14 1HE2 GLN 14 6.531 0.406 6.566
116 H GLN 15 H GLN 15 3.129 1.414 1.487
117 HA GLN 15 HA GLN 15 1.111 3.222 2.447
118 HB2 GLN 15 1HB GLN 15 2.948 3.085 0.129
119 HB3 GLN 15 2HB GLN 15 1.624 4.213 0.007
120 HG2 GLN 15 1HG GLN 15 2.331 5.212 2.182
121 HG3 GLN 15 2HG GLN 15 3.713 4.118 2.205
122 HE21 GLN 15 2HE2 GLN 15 3.700 7.127 1.985
123 HE22 GLN 15 1HE2 GLN 15 4.535 7.474 0.549
124 H ALA 16 H ALA 16 1.141 0.618 0.141
125 HA ALA 16 HA ALA 16 -1.095 1.259 -1.453
126 HB1 ALA 16 3HB ALA 16 -0.661 -1.547 -0.437
127 HB2 ALA 16 1HB ALA 16 0.518 -0.799 -1.517
128 HB3 ALA 16 2HB ALA 16 -1.151 -1.010 -2.046
129 H THR 17 H THR 17 -0.948 0.750 1.911
130 HA THR 17 HA THR 17 -3.402 -0.470 2.544
131 HB THR 17 HB THR 17 -3.360 1.135 4.564
132 HG1 THR 17 HG1 THR 17 -2.209 2.830 3.965
133 HG21 THR 17 3HG2 THR 17 -1.165 0.087 5.392
134 HG22 THR 17 1HG2 THR 17 -1.063 -0.672 3.803
135 HG23 THR 17 2HG2 THR 17 -2.426 -1.027 4.866
136 H SER 18 H SER 18 -2.713 2.818 1.494
137 HA SER 18 HA SER 18 -5.273 3.952 1.890
138 HB2 SER 18 1HB SER 18 -2.941 4.538 0.169
139 HB3 SER 18 2HB SER 18 -4.461 5.302 -0.269
140 HG SER 18 HG SER 18 -3.129 5.396 2.242
141 H ILE 19 H ILE 19 -3.946 2.977 -1.265
142 HA ILE 19 HA ILE 19 -6.198 2.926 -2.803
143 HB ILE 19 HB ILE 19 -3.944 0.913 -2.732
144 HG12 ILE 19 1HG1 ILE 19 -4.359 3.374 -4.452
145 HG13 ILE 19 2HG1 ILE 19 -3.388 3.372 -2.978
146 HG21 ILE 19 1HG2 ILE 19 -6.050 1.550 -4.789
147 HG22 ILE 19 2HG2 ILE 19 -5.735 -0.001 -4.014
148 HG23 ILE 19 3HG2 ILE 19 -4.574 0.663 -5.159
149 HD11 ILE 19 3HD1 ILE 19 -2.933 1.725 -5.468
150 HD12 ILE 19 1HD1 ILE 19 -2.045 1.491 -3.964
151 HD13 ILE 19 2HD1 ILE 19 -1.903 3.013 -4.844
152 H GLU 20 H GLU 20 -5.263 0.699 -0.304
153 HA GLU 20 HA GLU 20 -7.351 -1.268 -0.929
154 HB2 GLU 20 1HB GLU 20 -5.342 -0.913 1.298
155 HB3 GLU 20 2HB GLU 20 -6.664 -2.065 1.480
156 HG2 GLU 20 1HG GLU 20 -5.973 -3.262 -0.510
157 HG3 GLU 20 2HG GLU 20 -4.754 -2.041 -0.873
158 H ARG 21 H ARG 21 -6.766 1.182 1.599
159 HA ARG 21 HA ARG 21 -9.275 0.885 2.911
160 HB2 ARG 21 1HB ARG 21 -7.282 3.137 2.675
161 HB3 ARG 21 2HB ARG 21 -8.808 3.388 3.525
162 HG2 ARG 21 1HG ARG 21 -7.120 0.984 4.215
163 HG3 ARG 21 2HG ARG 21 -6.666 2.563 4.850
164 HD2 ARG 21 1HD ARG 21 -8.795 2.819 5.956
165 HD3 ARG 21 2HD ARG 21 -9.444 1.386 5.161
166 HE ARG 21 HE ARG 21 -8.340 0.067 6.775
167 HH11 ARG 21 1HH2 ARG 21 -7.074 3.270 6.624
168 HH12 ARG 21 2HH2 ARG 21 -6.055 3.075 8.011
169 HH21 ARG 21 1HH1 ARG 21 -7.014 -0.207 8.587
170 HH22 ARG 21 2HH1 ARG 21 -6.020 1.107 9.121
171 H LEU 22 H LEU 22 -8.260 2.653 0.046
172 HA LEU 22 HA LEU 22 -10.551 4.236 -0.350
173 HB2 LEU 22 1HB LEU 22 -8.274 3.260 -1.920
174 HB3 LEU 22 2HB LEU 22 -9.627 3.816 -2.855
175 HG LEU 22 HG LEU 22 -9.544 5.902 -1.600
176 HD11 LEU 22 1HD1 LEU 22 -8.316 4.911 0.371
177 HD12 LEU 22 2HD1 LEU 22 -7.837 6.514 -0.155
178 HD13 LEU 22 3HD1 LEU 22 -6.864 5.114 -0.600
179 HD21 LEU 22 3HD2 LEU 22 -7.090 5.070 -3.091
180 HD22 LEU 22 1HD2 LEU 22 -7.456 6.749 -2.693
181 HD23 LEU 22 2HD2 LEU 22 -8.531 5.841 -3.755
182 H CYS 23 H CYS 23 -9.601 1.377 -2.164
183 HA CYS 23 HA CYS 23 -12.130 0.884 -3.347
184 HB2 CYS 23 1HB CYS 23 -11.267 -1.273 -3.954
185 HB3 CYS 23 2HB CYS 23 -9.907 -0.154 -3.993
186 H GLN 24 H GLN 24 -11.107 0.408 -0.103
187 HA GLN 24 HA GLN 24 -13.253 -1.575 0.445
188 HB2 GLN 24 1HB GLN 24 -10.981 -0.444 2.075
189 HB3 GLN 24 2HB GLN 24 -12.276 -1.379 2.822
190 HG2 GLN 24 1HG GLN 24 -11.802 -3.261 1.303
191 HG3 GLN 24 2HG GLN 24 -10.510 -2.329 0.545
192 HE21 GLN 24 2HE2 GLN 24 -8.906 -3.937 1.273
193 HE22 GLN 24 1HE2 GLN 24 -8.416 -3.993 2.897
194 H HIS 25 H HIS 25 -12.464 1.816 0.947
195 HA HIS 25 HA HIS 25 -14.833 2.185 2.705
196 HB2 HIS 25 1HB HIS 25 -12.588 3.278 3.170
197 HB3 HIS 25 2HB HIS 25 -12.878 4.291 1.756
198 HD1 HIS 25 HD1 HIS 25 -13.686 3.975 5.322
199 HD2 HIS 25 HD2 HIS 25 -15.332 5.930 2.024
200 HE1 HIS 25 HE1 HIS 25 -15.292 5.707 6.241
201 HE2 HIS 25 HE2 HIS 25 -16.298 6.902 4.244
202 H TYR 26 H TYR 26 -13.570 4.093 -0.056
203 HA TYR 26 HA TYR 26 -15.977 5.347 -0.714
204 HB2 TYR 26 1HB TYR 26 -13.652 4.511 -2.446
205 HB3 TYR 26 2HB TYR 26 -14.980 5.489 -3.055
206 HD1 TYR 26 HD2 TYR 26 -15.627 7.552 -1.408
207 HD2 TYR 26 HD1 TYR 26 -11.795 5.639 -1.624
208 HE1 TYR 26 HE2 TYR 26 -14.564 9.562 -0.416
209 HE2 TYR 26 HE1 TYR 26 -10.722 7.636 -0.626
210 HH TYR 26 HH TYR 26 -11.133 9.586 0.454
211 H ILE 27 H ILE 27 -14.702 2.353 -2.267
212 HA ILE 27 HA ILE 27 -17.435 1.880 -3.367
213 HB ILE 27 HB ILE 27 -14.895 0.398 -4.057
214 HG12 ILE 27 1HG1 ILE 27 -15.348 2.126 -6.167
215 HG13 ILE 27 2HG1 ILE 27 -15.836 3.130 -4.814
216 HG21 ILE 27 1HG2 ILE 27 -16.116 -0.275 -6.017
217 HG22 ILE 27 2HG2 ILE 27 -17.433 0.840 -5.652
218 HG23 ILE 27 3HG2 ILE 27 -17.164 -0.572 -4.631
219 HD11 ILE 27 3HD1 ILE 27 -13.166 1.789 -5.216
220 HD12 ILE 27 1HD1 ILE 27 -13.656 2.561 -3.710
221 HD13 ILE 27 2HD1 ILE 27 -13.506 3.518 -5.181
222 H GLY 28 H GLY 28 -14.974 -0.562 -2.542
223 HA2 GLY 28 1HA GLY 28 -15.395 -1.850 -0.350
224 HA3 GLY 28 2HA GLY 28 -17.062 -1.965 -0.900
225 H TRP 29 H TRP 29 -14.153 -2.252 -2.923
226 HA TRP 29 HA TRP 29 -14.317 -5.156 -3.058
227 HB2 TRP 29 1HB TRP 29 -16.267 -4.140 -4.504
228 HB3 TRP 29 2HB TRP 29 -14.981 -3.758 -5.651
229 HD1 TRP 29 HD1 TRP 29 -16.289 -6.877 -3.721
230 HE1 TRP 29 HE1 TRP 29 -15.927 -8.918 -5.276
231 HE3 TRP 29 HE3 TRP 29 -13.954 -4.597 -7.594
232 HZ2 TRP 29 HZ2 TRP 29 -14.791 -9.483 -7.829
233 HZ3 TRP 29 HZ3 TRP 29 -13.242 -5.868 -9.572
234 HH2 TRP 29 HH2 TRP 29 -13.646 -8.322 -9.712
235 H CYS 30 H CYS 30 -12.283 -5.863 -3.560
236 HA CYS 30 HA CYS 30 -10.553 -4.191 -5.315
237 HB2 CYS 30 1HB CYS 30 -9.313 -5.289 -2.813
238 HB3 CYS 30 2HB CYS 30 -8.900 -3.841 -3.727
239 HA PRO 31 HA PRO 31 -9.986 -8.641 -6.289
240 HB2 PRO 31 1HB PRO 31 -9.500 -8.434 -8.930
241 HB3 PRO 31 2HB PRO 31 -11.133 -8.192 -8.272
242 HG2 PRO 31 1HG PRO 31 -9.113 -6.155 -9.110
243 HG3 PRO 31 2HG PRO 31 -10.862 -6.188 -9.401
244 HD2 PRO 31 1HD PRO 31 -9.653 -4.719 -7.375
245 HD3 PRO 31 2HD PRO 31 -11.348 -5.255 -7.338
246 H PHE 32 H PHE 32 -7.755 -6.013 -7.103
247 HA PHE 32 HA PHE 32 -5.542 -7.739 -7.762
248 HB2 PHE 32 1HB PHE 32 -6.035 -5.015 -7.951
249 HB3 PHE 32 2HB PHE 32 -4.848 -5.068 -6.656
250 HD1 PHE 32 HD1 PHE 32 -3.243 -7.477 -7.539
251 HD2 PHE 32 HD2 PHE 32 -4.780 -4.132 -9.757
252 HE1 PHE 32 HE1 PHE 32 -1.443 -7.760 -9.212
253 HE2 PHE 32 HE2 PHE 32 -2.974 -4.419 -11.432
254 HZ PHE 32 HZ PHE 32 -1.306 -6.233 -11.159
255 H TRP 33 H TRP 33 -7.122 -7.778 -5.008
256 HA TRP 33 HA TRP 33 -4.682 -8.074 -3.303
257 HB2 TRP 33 1HB TRP 33 -7.397 -6.993 -2.655
258 HB3 TRP 33 2HB TRP 33 -6.276 -7.504 -1.422
259 HD1 TRP 33 HD1 TRP 33 -4.418 -5.895 -0.774
260 HE1 TRP 33 HE1 TRP 33 -3.657 -3.560 -1.585
261 HE3 TRP 33 HE3 TRP 33 -7.293 -5.448 -4.951
262 HZ2 TRP 33 HZ2 TRP 33 -4.203 -1.754 -3.713
263 HZ3 TRP 33 HZ3 TRP 33 -7.165 -3.413 -6.355
264 HH2 TRP 33 HH2 TRP 33 -5.623 -1.565 -5.749
Start of MODEL 18
1 H1 ASN 1 1H ASN 1 19.617 -12.583 -0.813
2 H2 ASN 1 2H ASN 1 20.027 -14.073 -1.522
3 H3 ASN 1 3H ASN 1 20.947 -13.460 -0.230
4 HA ASN 1 HA ASN 1 18.918 -15.248 -0.014
5 HB2 ASN 1 1HB ASN 1 19.049 -14.560 2.460
6 HB3 ASN 1 2HB ASN 1 20.563 -15.037 1.693
7 HD21 ASN 1 2HD2 ASN 1 19.599 -12.043 0.440
8 HD22 ASN 1 1HD2 ASN 1 20.531 -11.039 1.442
9 H GLU 2 H GLU 2 18.289 -12.673 2.182
10 HA GLU 2 HA GLU 2 15.514 -12.673 1.873
11 HB2 GLU 2 1HB GLU 2 17.396 -10.518 2.767
12 HB3 GLU 2 2HB GLU 2 15.654 -10.281 2.793
13 HG2 GLU 2 1HG GLU 2 16.547 -11.095 4.979
14 HG3 GLU 2 2HG GLU 2 15.379 -12.208 4.265
15 H LEU 3 H LEU 3 14.954 -12.723 -0.362
16 HA LEU 3 HA LEU 3 15.844 -10.770 -2.261
17 HB2 LEU 3 1HB LEU 3 13.621 -12.770 -2.126
18 HB3 LEU 3 2HB LEU 3 13.541 -11.533 -3.380
19 HG LEU 3 HG LEU 3 16.130 -13.033 -2.991
20 HD11 LEU 3 1HD1 LEU 3 14.461 -14.799 -3.080
21 HD12 LEU 3 2HD1 LEU 3 15.340 -14.736 -4.608
22 HD13 LEU 3 3HD1 LEU 3 13.715 -14.060 -4.494
23 HD21 LEU 3 3HD2 LEU 3 14.767 -12.147 -5.545
24 HD22 LEU 3 1HD2 LEU 3 16.479 -12.480 -5.279
25 HD23 LEU 3 2HD2 LEU 3 15.741 -11.038 -4.582
26 H ASP 4 H ASP 4 14.079 -10.296 0.471
27 HA ASP 4 HA ASP 4 12.119 -8.390 -0.608
28 HB2 ASP 4 1HB ASP 4 11.789 -7.904 1.892
29 HB3 ASP 4 2HB ASP 4 11.400 -9.537 1.350
30 H VAL 5 H VAL 5 14.635 -7.631 -1.459
31 HA VAL 5 HA VAL 5 15.838 -5.735 0.349
32 HB VAL 5 HB VAL 5 16.203 -6.299 -2.598
33 HG11 VAL 5 1HG1 VAL 5 18.202 -4.732 -2.372
34 HG12 VAL 5 2HG1 VAL 5 17.433 -4.120 -0.907
35 HG13 VAL 5 3HG1 VAL 5 16.619 -3.959 -2.464
36 HG21 VAL 5 3HG2 VAL 5 17.955 -6.618 -0.148
37 HG22 VAL 5 1HG2 VAL 5 18.441 -7.007 -1.798
38 HG23 VAL 5 2HG2 VAL 5 17.144 -7.916 -1.024
39 HA PRO 6 HA PRO 6 13.304 -2.714 -2.711
40 HB2 PRO 6 1HB PRO 6 10.804 -4.327 -2.340
41 HB3 PRO 6 2HB PRO 6 11.307 -3.311 -3.709
42 HG2 PRO 6 1HG PRO 6 11.489 -5.912 -3.909
43 HG3 PRO 6 2HG PRO 6 12.832 -4.896 -4.475
44 HD2 PRO 6 1HD PRO 6 12.608 -6.470 -1.931
45 HD3 PRO 6 2HD PRO 6 14.004 -6.280 -3.008
46 H GLU 7 H GLU 7 13.460 -1.222 -1.095
47 HA GLU 7 HA GLU 7 11.813 -1.490 1.341
48 HB2 GLU 7 1HB GLU 7 14.124 -0.879 1.729
49 HB3 GLU 7 2HB GLU 7 13.999 0.464 0.592
50 HG2 GLU 7 1HG GLU 7 12.520 1.668 2.020
51 HG3 GLU 7 2HG GLU 7 12.226 0.253 3.031
52 H GLN 8 H GLN 8 12.530 1.114 -1.043
53 HA GLN 8 HA GLN 8 10.350 2.763 -0.299
54 HB2 GLN 8 1HB GLN 8 11.617 2.374 -3.028
55 HB3 GLN 8 2HB GLN 8 10.448 3.645 -2.655
56 HG2 GLN 8 1HG GLN 8 12.989 3.276 -1.055
57 HG3 GLN 8 2HG GLN 8 12.923 4.300 -2.490
58 HE21 GLN 8 2HE2 GLN 8 11.773 3.975 0.846
59 HE22 GLN 8 1HE2 GLN 8 11.154 5.550 0.972
60 H VAL 9 H VAL 9 10.356 -0.310 -1.542
61 HA VAL 9 HA VAL 9 7.784 -0.139 -2.940
62 HB VAL 9 HB VAL 9 9.769 -2.314 -2.283
63 HG11 VAL 9 1HG1 VAL 9 6.889 -2.677 -3.148
64 HG12 VAL 9 2HG1 VAL 9 7.730 -3.459 -1.809
65 HG13 VAL 9 3HG1 VAL 9 8.122 -3.896 -3.472
66 HG21 VAL 9 3HG2 VAL 9 10.299 -1.259 -4.322
67 HG22 VAL 9 1HG2 VAL 9 8.609 -1.123 -4.810
68 HG23 VAL 9 2HG2 VAL 9 9.407 -2.693 -4.828
69 H ASP 10 H ASP 10 8.960 -2.140 -0.249
70 HA ASP 10 HA ASP 10 6.528 -2.805 0.925
71 HB2 ASP 10 1HB ASP 10 8.613 -3.737 1.758
72 HB3 ASP 10 2HB ASP 10 9.174 -2.143 2.266
73 H LYS 11 H LYS 11 8.268 0.278 1.152
74 HA LYS 11 HA LYS 11 6.539 1.354 3.189
75 HB2 LYS 11 1HB LYS 11 8.617 2.405 3.087
76 HB3 LYS 11 2HB LYS 11 8.652 2.385 1.324
77 HG2 LYS 11 1HG LYS 11 7.336 4.263 1.134
78 HG3 LYS 11 2HG LYS 11 6.494 3.976 2.648
79 HD2 LYS 11 1HD LYS 11 8.383 4.699 3.933
80 HD3 LYS 11 2HD LYS 11 9.396 4.795 2.493
81 HE2 LYS 11 1HE LYS 11 8.333 6.997 3.417
82 HE3 LYS 11 2HE LYS 11 8.288 6.699 1.679
83 HZ1 LYS 11 3HZ LYS 11 6.073 6.251 1.714
84 HZ2 LYS 11 1HZ LYS 11 6.138 7.347 3.006
85 HZ3 LYS 11 2HZ LYS 11 6.085 5.677 3.312
86 H LEU 12 H LEU 12 6.824 1.650 -0.348
87 HA LEU 12 HA LEU 12 4.565 3.279 -0.812
88 HB2 LEU 12 1HB LEU 12 6.161 1.301 -2.316
89 HB3 LEU 12 2HB LEU 12 4.625 1.718 -3.022
90 HG LEU 12 HG LEU 12 6.809 3.050 -3.664
91 HD11 LEU 12 1HD1 LEU 12 5.413 5.100 -4.028
92 HD12 LEU 12 2HD1 LEU 12 4.157 4.364 -3.034
93 HD13 LEU 12 3HD1 LEU 12 4.633 3.608 -4.554
94 HD21 LEU 12 3HD2 LEU 12 7.552 4.761 -2.316
95 HD22 LEU 12 1HD2 LEU 12 7.067 3.632 -1.067
96 HD23 LEU 12 2HD2 LEU 12 6.002 4.958 -1.497
97 H ILE 13 H ILE 13 4.838 -0.281 -0.898
98 HA ILE 13 HA ILE 13 2.136 -0.944 -1.174
99 HB ILE 13 HB ILE 13 4.269 -2.249 0.537
100 HG12 ILE 13 1HG1 ILE 13 3.480 -2.428 -2.376
101 HG13 ILE 13 2HG1 ILE 13 5.060 -2.092 -1.700
102 HG21 ILE 13 1HG2 ILE 13 1.890 -2.990 1.017
103 HG22 ILE 13 2HG2 ILE 13 2.952 -4.263 0.436
104 HG23 ILE 13 3HG2 ILE 13 1.789 -3.516 -0.662
105 HD11 ILE 13 3HD1 ILE 13 5.165 -4.339 -2.438
106 HD12 ILE 13 1HD1 ILE 13 3.591 -4.717 -1.738
107 HD13 ILE 13 2HD1 ILE 13 4.976 -4.426 -0.687
108 H GLN 14 H GLN 14 3.927 -0.548 1.873
109 HA GLN 14 HA GLN 14 1.757 -0.661 3.650
110 HB2 GLN 14 1HB GLN 14 4.455 0.568 3.685
111 HB3 GLN 14 2HB GLN 14 3.362 1.072 4.948
112 HG2 GLN 14 1HG GLN 14 2.999 -1.321 5.541
113 HG3 GLN 14 2HG GLN 14 4.174 -1.780 4.308
114 HE21 GLN 14 2HE2 GLN 14 6.136 -2.258 5.297
115 HE22 GLN 14 1HE2 GLN 14 6.814 -1.395 6.592
116 H GLN 15 H GLN 15 3.074 2.125 1.877
117 HA GLN 15 HA GLN 15 1.177 3.986 2.997
118 HB2 GLN 15 1HB GLN 15 3.208 3.995 0.840
119 HB3 GLN 15 2HB GLN 15 1.984 5.245 0.753
120 HG2 GLN 15 1HG GLN 15 3.603 4.675 3.245
121 HG3 GLN 15 2HG GLN 15 4.099 5.857 2.032
122 HE21 GLN 15 2HE2 GLN 15 1.452 6.857 1.379
123 HE22 GLN 15 1HE2 GLN 15 0.874 7.703 2.732
124 H ALA 16 H ALA 16 1.054 1.610 0.528
125 HA ALA 16 HA ALA 16 -1.059 2.814 -1.048
126 HB1 ALA 16 3HB ALA 16 -1.174 0.729 -2.192
127 HB2 ALA 16 1HB ALA 16 -0.497 -0.148 -0.820
128 HB3 ALA 16 2HB ALA 16 0.527 0.928 -1.772
129 H THR 17 H THR 17 -0.966 1.501 2.051
130 HA THR 17 HA THR 17 -3.281 -0.001 2.381
131 HB THR 17 HB THR 17 -3.484 1.250 4.640
132 HG1 THR 17 HG1 THR 17 -1.897 2.881 3.316
133 HG21 THR 17 3HG2 THR 17 -1.242 0.275 5.397
134 HG22 THR 17 1HG2 THR 17 -0.981 -0.165 3.711
135 HG23 THR 17 2HG2 THR 17 -2.346 -0.842 4.597
136 H SER 18 H SER 18 -3.250 3.533 2.874
137 HA SER 18 HA SER 18 -5.882 4.160 3.032
138 HB2 SER 18 1HB SER 18 -3.616 5.471 1.668
139 HB3 SER 18 2HB SER 18 -5.214 6.114 1.329
140 HG SER 18 HG SER 18 -4.607 7.159 3.134
141 H ILE 19 H ILE 19 -4.363 4.152 -0.183
142 HA ILE 19 HA ILE 19 -6.569 4.261 -1.804
143 HB ILE 19 HB ILE 19 -4.033 2.662 -2.090
144 HG12 ILE 19 1HG1 ILE 19 -4.862 5.334 -3.255
145 HG13 ILE 19 2HG1 ILE 19 -3.938 5.170 -1.760
146 HG21 ILE 19 1HG2 ILE 19 -6.216 3.347 -4.054
147 HG22 ILE 19 2HG2 ILE 19 -5.580 1.754 -3.654
148 HG23 ILE 19 3HG2 ILE 19 -4.589 2.895 -4.558
149 HD11 ILE 19 3HD1 ILE 19 -2.244 3.838 -3.035
150 HD12 ILE 19 1HD1 ILE 19 -2.382 5.509 -3.576
151 HD13 ILE 19 2HD1 ILE 19 -3.132 4.217 -4.509
152 H GLU 20 H GLU 20 -5.462 1.573 0.132
153 HA GLU 20 HA GLU 20 -7.297 -0.327 -1.187
154 HB2 GLU 20 1HB GLU 20 -5.979 -1.920 -0.220
155 HB3 GLU 20 2HB GLU 20 -4.927 -0.605 0.286
156 HG2 GLU 20 1HG GLU 20 -6.316 -0.427 2.390
157 HG3 GLU 20 2HG GLU 20 -7.154 -1.892 1.882
158 H ARG 21 H ARG 21 -7.120 1.629 1.739
159 HA ARG 21 HA ARG 21 -9.543 0.553 2.888
160 HB2 ARG 21 1HB ARG 21 -7.866 3.013 3.386
161 HB3 ARG 21 2HB ARG 21 -9.422 2.816 4.192
162 HG2 ARG 21 1HG ARG 21 -7.416 0.563 4.273
163 HG3 ARG 21 2HG ARG 21 -7.218 1.938 5.356
164 HD2 ARG 21 1HD ARG 21 -9.195 1.483 6.518
165 HD3 ARG 21 2HD ARG 21 -9.902 0.585 5.177
166 HE ARG 21 HE ARG 21 -7.519 -0.676 6.316
167 HH11 ARG 21 1HH2 ARG 21 -10.939 -0.265 6.397
168 HH12 ARG 21 2HH2 ARG 21 -11.237 -1.783 7.175
169 HH21 ARG 21 1HH1 ARG 21 -7.888 -2.664 7.329
170 HH22 ARG 21 2HH1 ARG 21 -9.511 -3.141 7.702
171 H LEU 22 H LEU 22 -8.710 2.933 0.505
172 HA LEU 22 HA LEU 22 -11.076 4.431 0.480
173 HB2 LEU 22 1HB LEU 22 -8.776 3.970 -1.270
174 HB3 LEU 22 2HB LEU 22 -10.181 4.564 -2.100
175 HG LEU 22 HG LEU 22 -10.276 6.357 -0.412
176 HD11 LEU 22 1HD1 LEU 22 -7.460 5.786 0.301
177 HD12 LEU 22 2HD1 LEU 22 -8.788 5.074 1.217
178 HD13 LEU 22 3HD1 LEU 22 -8.643 6.821 1.108
179 HD21 LEU 22 3HD2 LEU 22 -7.925 6.106 -2.227
180 HD22 LEU 22 1HD2 LEU 22 -8.279 7.604 -1.369
181 HD23 LEU 22 2HD2 LEU 22 -9.441 6.951 -2.521
182 H CYS 23 H CYS 23 -10.066 1.993 -1.864
183 HA CYS 23 HA CYS 23 -12.497 1.631 -3.192
184 HB2 CYS 23 1HB CYS 23 -11.744 -0.791 -3.510
185 HB3 CYS 23 2HB CYS 23 -10.593 0.445 -4.018
186 H GLN 24 H GLN 24 -11.413 -0.348 -0.400
187 HA GLN 24 HA GLN 24 -13.750 -1.794 0.051
188 HB2 GLN 24 1HB GLN 24 -11.917 -0.539 2.117
189 HB3 GLN 24 2HB GLN 24 -13.109 -1.791 2.465
190 HG2 GLN 24 1HG GLN 24 -11.984 -3.289 0.834
191 HG3 GLN 24 2HG GLN 24 -10.765 -2.044 0.561
192 HE21 GLN 24 2HE2 GLN 24 -9.465 -1.377 2.539
193 HE22 GLN 24 1HE2 GLN 24 -9.188 -2.534 3.751
194 H HIS 25 H HIS 25 -13.118 1.601 0.859
195 HA HIS 25 HA HIS 25 -15.770 1.829 2.176
196 HB2 HIS 25 1HB HIS 25 -13.669 2.882 3.126
197 HB3 HIS 25 2HB HIS 25 -13.710 4.001 1.765
198 HD1 HIS 25 HD1 HIS 25 -14.907 6.116 2.280
199 HD2 HIS 25 HD2 HIS 25 -16.439 2.927 4.489
200 HE1 HIS 25 HE1 HIS 25 -16.742 7.072 3.745
201 HE2 HIS 25 HE2 HIS 25 -17.681 5.140 5.092
202 H TYR 26 H TYR 26 -14.089 4.012 -0.117
203 HA TYR 26 HA TYR 26 -16.391 5.277 -1.084
204 HB2 TYR 26 1HB TYR 26 -13.707 4.725 -2.340
205 HB3 TYR 26 2HB TYR 26 -14.942 5.630 -3.206
206 HD1 TYR 26 HD1 TYR 26 -15.893 7.755 -2.094
207 HD2 TYR 26 HD2 TYR 26 -12.416 5.720 -0.662
208 HE1 TYR 26 HE1 TYR 26 -15.230 9.779 -0.819
209 HE2 TYR 26 HE2 TYR 26 -11.725 7.733 0.624
210 HH TYR 26 HH TYR 26 -13.858 10.543 0.839
211 H ILE 27 H ILE 27 -14.622 2.816 -3.005
212 HA ILE 27 HA ILE 27 -17.121 2.267 -4.487
213 HB ILE 27 HB ILE 27 -14.353 1.094 -4.864
214 HG12 ILE 27 1HG1 ILE 27 -14.726 2.876 -6.933
215 HG13 ILE 27 2HG1 ILE 27 -15.552 3.724 -5.640
216 HG21 ILE 27 1HG2 ILE 27 -16.889 1.095 -6.508
217 HG22 ILE 27 2HG2 ILE 27 -15.964 -0.292 -5.935
218 HG23 ILE 27 3HG2 ILE 27 -15.311 0.735 -7.208
219 HD11 ILE 27 3HD1 ILE 27 -12.688 2.735 -5.631
220 HD12 ILE 27 1HD1 ILE 27 -13.498 3.442 -4.238
221 HD13 ILE 27 2HD1 ILE 27 -13.227 4.413 -5.679
222 H GLY 28 H GLY 28 -14.661 -0.126 -3.578
223 HA2 GLY 28 1HA GLY 28 -15.380 -1.674 -1.616
224 HA3 GLY 28 2HA GLY 28 -16.859 -1.883 -2.553
225 H TRP 29 H TRP 29 -13.497 -1.676 -3.714
226 HA TRP 29 HA TRP 29 -13.309 -4.520 -4.241
227 HB2 TRP 29 1HB TRP 29 -14.897 -3.256 -6.052
228 HB3 TRP 29 2HB TRP 29 -13.332 -2.996 -6.820
229 HD1 TRP 29 HD1 TRP 29 -15.155 -6.031 -5.179
230 HE1 TRP 29 HE1 TRP 29 -14.677 -8.090 -6.675
231 HE3 TRP 29 HE3 TRP 29 -12.196 -3.873 -8.674
232 HZ2 TRP 29 HZ2 TRP 29 -13.226 -8.714 -9.047
233 HZ3 TRP 29 HZ3 TRP 29 -11.278 -5.184 -10.544
234 HH2 TRP 29 HH2 TRP 29 -11.776 -7.614 -10.749
235 H CYS 30 H CYS 30 -11.176 -4.829 -3.879
236 HA CYS 30 HA CYS 30 -9.210 -2.872 -5.025
237 HB2 CYS 30 1HB CYS 30 -8.568 -4.280 -2.452
238 HB3 CYS 30 2HB CYS 30 -8.084 -2.681 -3.009
239 HA PRO 31 HA PRO 31 -8.118 -7.160 -6.297
240 HB2 PRO 31 1HB PRO 31 -7.622 -6.709 -8.909
241 HB3 PRO 31 2HB PRO 31 -9.280 -6.806 -8.282
242 HG2 PRO 31 1HG PRO 31 -7.669 -4.398 -8.994
243 HG3 PRO 31 2HG PRO 31 -9.392 -4.716 -9.254
244 HD2 PRO 31 1HD PRO 31 -8.352 -3.191 -7.149
245 HD3 PRO 31 2HD PRO 31 -9.970 -3.928 -7.161
246 H PHE 32 H PHE 32 -6.246 -5.365 -4.961
247 HA PHE 32 HA PHE 32 -3.794 -6.412 -6.141
248 HB2 PHE 32 1HB PHE 32 -4.151 -4.379 -7.505
249 HB3 PHE 32 2HB PHE 32 -4.199 -3.412 -6.035
250 HD1 PHE 32 HD1 PHE 32 -2.029 -5.965 -7.720
251 HD2 PHE 32 HD2 PHE 32 -2.207 -2.428 -5.287
252 HE1 PHE 32 HE1 PHE 32 0.448 -5.821 -7.748
253 HE2 PHE 32 HE2 PHE 32 0.268 -2.285 -5.315
254 HZ PHE 32 HZ PHE 32 1.595 -3.981 -6.545
255 H TRP 33 H TRP 33 -5.300 -6.417 -3.564
256 HA TRP 33 HA TRP 33 -3.028 -5.658 -1.810
257 HB2 TRP 33 1HB TRP 33 -5.909 -4.905 -1.500
258 HB3 TRP 33 2HB TRP 33 -4.836 -4.976 -0.133
259 HD1 TRP 33 HD1 TRP 33 -3.042 -3.145 0.106
260 HE1 TRP 33 HE1 TRP 33 -2.624 -0.890 -1.089
261 HE3 TRP 33 HE3 TRP 33 -6.162 -3.688 -3.878
262 HZ2 TRP 33 HZ2 TRP 33 -3.509 0.485 -3.413
263 HZ3 TRP 33 HZ3 TRP 33 -6.368 -1.888 -5.570
264 HH2 TRP 33 HH2 TRP 33 -5.045 0.198 -5.345
Start of MODEL 19
1 H1 ASN 1 1H ASN 1 21.817 -8.011 -4.886
2 H2 ASN 1 2H ASN 1 20.354 -8.516 -4.186
3 H3 ASN 1 3H ASN 1 21.717 -9.528 -4.135
4 HA ASN 1 HA ASN 1 22.777 -8.286 -2.529
5 HB2 ASN 1 1HB ASN 1 20.827 -6.015 -2.950
6 HB3 ASN 1 2HB ASN 1 22.391 -5.976 -2.134
7 HD21 ASN 1 2HD2 ASN 1 24.197 -7.001 -3.834
8 HD22 ASN 1 1HD2 ASN 1 24.176 -6.230 -5.347
9 H GLU 2 H GLU 2 20.936 -6.526 -0.859
10 HA GLU 2 HA GLU 2 19.979 -8.374 0.978
11 HB2 GLU 2 1HB GLU 2 18.936 -5.666 0.230
12 HB3 GLU 2 2HB GLU 2 18.264 -6.578 1.575
13 HG2 GLU 2 1HG GLU 2 21.219 -5.973 1.303
14 HG3 GLU 2 2HG GLU 2 20.106 -4.935 2.194
15 H LEU 3 H LEU 3 18.736 -10.122 0.494
16 HA LEU 3 HA LEU 3 16.994 -10.429 -1.671
17 HB2 LEU 3 1HB LEU 3 17.643 -12.317 -0.256
18 HB3 LEU 3 2HB LEU 3 16.788 -11.616 1.115
19 HG LEU 3 HG LEU 3 14.648 -11.909 0.011
20 HD11 LEU 3 1HD1 LEU 3 16.375 -12.609 -2.364
21 HD12 LEU 3 2HD1 LEU 3 15.011 -11.496 -2.280
22 HD13 LEU 3 3HD1 LEU 3 14.729 -13.233 -2.248
23 HD21 LEU 3 3HD2 LEU 3 16.260 -14.439 -0.417
24 HD22 LEU 3 1HD2 LEU 3 14.546 -14.316 -0.018
25 HD23 LEU 3 2HD2 LEU 3 15.764 -13.865 1.175
26 H ASP 4 H ASP 4 16.678 -8.398 1.008
27 HA ASP 4 HA ASP 4 13.711 -8.169 0.721
28 HB2 ASP 4 1HB ASP 4 13.864 -6.765 2.759
29 HB3 ASP 4 2HB ASP 4 14.567 -8.361 3.015
30 H VAL 5 H VAL 5 14.777 -7.250 -1.536
31 HA VAL 5 HA VAL 5 15.648 -4.505 -1.390
32 HB VAL 5 HB VAL 5 14.478 -5.787 -3.860
33 HG11 VAL 5 1HG1 VAL 5 15.202 -3.332 -3.729
34 HG12 VAL 5 2HG1 VAL 5 15.921 -4.296 -5.019
35 HG13 VAL 5 3HG1 VAL 5 16.849 -3.939 -3.562
36 HG21 VAL 5 3HG2 VAL 5 17.269 -6.145 -2.720
37 HG22 VAL 5 1HG2 VAL 5 16.738 -6.693 -4.309
38 HG23 VAL 5 2HG2 VAL 5 16.046 -7.409 -2.855
39 HA PRO 6 HA PRO 6 10.937 -3.899 -2.785
40 HB2 PRO 6 1HB PRO 6 9.816 -5.787 -0.767
41 HB3 PRO 6 2HB PRO 6 9.250 -5.422 -2.406
42 HG2 PRO 6 1HG PRO 6 10.494 -7.699 -1.899
43 HG3 PRO 6 2HG PRO 6 10.837 -6.803 -3.393
44 HD2 PRO 6 1HD PRO 6 12.467 -6.952 -0.872
45 HD3 PRO 6 2HD PRO 6 13.009 -6.980 -2.564
46 H GLU 7 H GLU 7 12.449 -2.460 -1.114
47 HA GLU 7 HA GLU 7 11.149 -2.082 1.477
48 HB2 GLU 7 1HB GLU 7 13.326 -0.512 0.060
49 HB3 GLU 7 2HB GLU 7 12.747 -0.156 1.688
50 HG2 GLU 7 1HG GLU 7 13.343 -2.508 2.344
51 HG3 GLU 7 2HG GLU 7 14.075 -2.715 0.752
52 H GLN 8 H GLN 8 11.782 0.214 -1.222
53 HA GLN 8 HA GLN 8 9.751 2.027 -0.439
54 HB2 GLN 8 1HB GLN 8 10.731 1.417 -3.247
55 HB3 GLN 8 2HB GLN 8 9.775 2.831 -2.791
56 HG2 GLN 8 1HG GLN 8 12.417 2.179 -1.469
57 HG3 GLN 8 2HG GLN 8 12.312 3.178 -2.919
58 HE21 GLN 8 2HE2 GLN 8 11.366 3.023 0.515
59 HE22 GLN 8 1HE2 GLN 8 11.026 4.679 0.667
60 H VAL 9 H VAL 9 9.505 -1.112 -1.487
61 HA VAL 9 HA VAL 9 6.883 -0.891 -2.778
62 HB VAL 9 HB VAL 9 8.546 -3.232 -1.801
63 HG11 VAL 9 1HG1 VAL 9 6.804 -4.599 -3.095
64 HG12 VAL 9 2HG1 VAL 9 5.773 -3.171 -2.983
65 HG13 VAL 9 3HG1 VAL 9 6.323 -3.981 -1.512
66 HG21 VAL 9 3HG2 VAL 9 7.687 -2.616 -4.627
67 HG22 VAL 9 1HG2 VAL 9 8.999 -3.664 -4.082
68 HG23 VAL 9 2HG2 VAL 9 9.148 -1.913 -3.933
69 H ASP 10 H ASP 10 8.035 -2.655 0.065
70 HA ASP 10 HA ASP 10 5.646 -3.059 1.413
71 HB2 ASP 10 1HB ASP 10 7.704 -3.990 2.241
72 HB3 ASP 10 2HB ASP 10 8.411 -2.389 2.476
73 H LYS 11 H LYS 11 7.696 -0.145 1.487
74 HA LYS 11 HA LYS 11 6.035 1.335 3.296
75 HB2 LYS 11 1HB LYS 11 8.150 2.013 1.275
76 HB3 LYS 11 2HB LYS 11 7.130 3.326 1.857
77 HG2 LYS 11 1HG LYS 11 9.094 3.217 3.257
78 HG3 LYS 11 2HG LYS 11 7.711 2.680 4.200
79 HD2 LYS 11 1HD LYS 11 8.955 0.407 2.831
80 HD3 LYS 11 2HD LYS 11 10.145 1.268 3.795
81 HE2 LYS 11 1HE LYS 11 8.747 1.061 5.785
82 HE3 LYS 11 2HE LYS 11 7.464 0.306 4.840
83 HZ1 LYS 11 3HZ LYS 11 10.127 -0.891 4.716
84 HZ2 LYS 11 1HZ LYS 11 8.603 -1.632 4.663
85 HZ3 LYS 11 2HZ LYS 11 9.239 -1.107 6.148
86 H LEU 12 H LEU 12 6.187 1.254 -0.270
87 HA LEU 12 HA LEU 12 4.001 2.957 -0.793
88 HB2 LEU 12 1HB LEU 12 5.389 0.743 -2.177
89 HB3 LEU 12 2HB LEU 12 3.845 1.193 -2.838
90 HG LEU 12 HG LEU 12 6.086 2.312 -3.702
91 HD11 LEU 12 1HD1 LEU 12 4.807 4.316 -4.342
92 HD12 LEU 12 2HD1 LEU 12 3.593 3.931 -3.123
93 HD13 LEU 12 3HD1 LEU 12 3.829 2.857 -4.501
94 HD21 LEU 12 3HD2 LEU 12 6.485 3.155 -1.197
95 HD22 LEU 12 1HD2 LEU 12 5.454 4.480 -1.726
96 HD23 LEU 12 2HD2 LEU 12 6.955 4.127 -2.576
97 H ILE 13 H ILE 13 4.042 -0.598 -0.517
98 HA ILE 13 HA ILE 13 1.279 -1.065 -0.587
99 HB ILE 13 HB ILE 13 3.418 -2.380 1.109
100 HG12 ILE 13 1HG1 ILE 13 2.421 -2.747 -1.722
101 HG13 ILE 13 2HG1 ILE 13 4.064 -2.500 -1.174
102 HG21 ILE 13 1HG2 ILE 13 1.033 -2.878 1.809
103 HG22 ILE 13 2HG2 ILE 13 1.952 -4.280 1.287
104 HG23 ILE 13 3HG2 ILE 13 0.773 -3.546 0.199
105 HD11 ILE 13 3HD1 ILE 13 3.929 -4.799 -1.712
106 HD12 ILE 13 1HD1 ILE 13 2.380 -4.972 -0.888
107 HD13 ILE 13 2HD1 ILE 13 3.854 -4.720 0.047
108 H GLN 14 H GLN 14 3.273 -0.576 2.326
109 HA GLN 14 HA GLN 14 1.166 -0.323 4.173
110 HB2 GLN 14 1HB GLN 14 4.012 0.494 4.082
111 HB3 GLN 14 2HB GLN 14 3.040 1.252 5.319
112 HG2 GLN 14 1HG GLN 14 4.066 -0.771 6.219
113 HG3 GLN 14 2HG GLN 14 2.326 -1.014 6.089
114 HE21 GLN 14 2HE2 GLN 14 5.012 -2.754 5.711
115 HE22 GLN 14 1HE2 GLN 14 4.606 -3.704 4.364
116 H GLN 15 H GLN 15 2.625 2.117 2.056
117 HA GLN 15 HA GLN 15 1.115 4.287 3.241
118 HB2 GLN 15 1HB GLN 15 2.934 3.940 0.928
119 HB3 GLN 15 2HB GLN 15 1.900 5.351 0.913
120 HG2 GLN 15 1HG GLN 15 2.767 5.952 3.172
121 HG3 GLN 15 2HG GLN 15 3.848 4.560 3.098
122 HE21 GLN 15 2HE2 GLN 15 4.118 5.100 0.056
123 HE22 GLN 15 1HE2 GLN 15 5.241 6.371 -0.026
124 H ALA 16 H ALA 16 0.880 2.489 0.179
125 HA ALA 16 HA ALA 16 -1.430 3.740 -0.838
126 HB1 ALA 16 3HB ALA 16 -1.082 0.757 -1.097
127 HB2 ALA 16 1HB ALA 16 0.079 1.849 -1.856
128 HB3 ALA 16 2HB ALA 16 -1.626 1.927 -2.304
129 H THR 17 H THR 17 -1.093 2.045 2.061
130 HA THR 17 HA THR 17 -3.384 0.546 2.483
131 HB THR 17 HB THR 17 -3.409 1.639 4.828
132 HG1 THR 17 HG1 THR 17 -0.916 2.660 4.179
133 HG21 THR 17 3HG2 THR 17 -2.272 -0.424 4.612
134 HG22 THR 17 1HG2 THR 17 -1.075 0.661 5.318
135 HG23 THR 17 2HG2 THR 17 -1.015 0.280 3.597
136 H SER 18 H SER 18 -3.145 3.914 1.838
137 HA SER 18 HA SER 18 -5.853 4.589 2.668
138 HB2 SER 18 1HB SER 18 -3.581 5.954 1.353
139 HB3 SER 18 2HB SER 18 -5.177 6.612 1.046
140 HG SER 18 HG SER 18 -3.672 7.005 3.145
141 H ILE 19 H ILE 19 -4.321 4.870 -0.506
142 HA ILE 19 HA ILE 19 -6.500 4.933 -2.172
143 HB ILE 19 HB ILE 19 -4.023 3.267 -2.697
144 HG12 ILE 19 1HG1 ILE 19 -4.445 6.275 -2.767
145 HG13 ILE 19 2HG1 ILE 19 -3.257 5.391 -1.812
146 HG21 ILE 19 1HG2 ILE 19 -4.439 3.787 -4.973
147 HG22 ILE 19 2HG2 ILE 19 -5.640 5.004 -4.546
148 HG23 ILE 19 3HG2 ILE 19 -5.988 3.297 -4.299
149 HD11 ILE 19 3HD1 ILE 19 -2.328 4.529 -4.025
150 HD12 ILE 19 1HD1 ILE 19 -2.054 6.237 -3.674
151 HD13 ILE 19 2HD1 ILE 19 -3.327 5.762 -4.798
152 H GLU 20 H GLU 20 -5.024 2.144 -0.649
153 HA GLU 20 HA GLU 20 -6.769 0.234 -1.993
154 HB2 GLU 20 1HB GLU 20 -5.463 -1.389 -1.025
155 HB3 GLU 20 2HB GLU 20 -4.391 -0.044 -0.662
156 HG2 GLU 20 1HG GLU 20 -5.511 0.185 1.561
157 HG3 GLU 20 2HG GLU 20 -6.468 -1.249 1.193
158 H ARG 21 H ARG 21 -6.702 1.743 1.247
159 HA ARG 21 HA ARG 21 -9.053 0.503 2.244
160 HB2 ARG 21 1HB ARG 21 -7.633 3.105 2.761
161 HB3 ARG 21 2HB ARG 21 -9.226 2.863 3.473
162 HG2 ARG 21 1HG ARG 21 -7.319 0.587 3.823
163 HG3 ARG 21 2HG ARG 21 -6.883 2.067 4.669
164 HD2 ARG 21 1HD ARG 21 -8.243 0.685 6.131
165 HD3 ARG 21 2HD ARG 21 -9.157 2.124 5.685
166 HE ARG 21 HE ARG 21 -9.974 0.324 3.793
167 HH11 ARG 21 1HH2 ARG 21 -9.625 0.234 7.222
168 HH12 ARG 21 2HH2 ARG 21 -10.889 -0.925 7.455
169 HH21 ARG 21 1HH1 ARG 21 -11.627 -1.194 4.078
170 HH22 ARG 21 2HH1 ARG 21 -12.023 -1.735 5.675
171 H LEU 22 H LEU 22 -8.518 3.367 0.244
172 HA LEU 22 HA LEU 22 -11.129 4.336 0.022
173 HB2 LEU 22 1HB LEU 22 -8.673 4.404 -1.599
174 HB3 LEU 22 2HB LEU 22 -10.122 4.885 -2.419
175 HG LEU 22 HG LEU 22 -10.495 6.434 -0.476
176 HD11 LEU 22 1HD1 LEU 22 -7.574 6.092 -0.035
177 HD12 LEU 22 2HD1 LEU 22 -8.783 5.267 0.945
178 HD13 LEU 22 3HD1 LEU 22 -8.714 7.024 0.930
179 HD21 LEU 22 3HD2 LEU 22 -8.971 8.144 -1.396
180 HD22 LEU 22 1HD2 LEU 22 -9.798 7.233 -2.659
181 HD23 LEU 22 2HD2 LEU 22 -8.120 6.865 -2.262
182 H CYS 23 H CYS 23 -9.422 2.241 -2.213
183 HA CYS 23 HA CYS 23 -11.583 1.570 -3.887
184 HB2 CYS 23 1HB CYS 23 -10.200 -0.100 -4.788
185 HB3 CYS 23 2HB CYS 23 -9.044 1.041 -4.110
186 H GLN 24 H GLN 24 -10.686 0.147 -0.762
187 HA GLN 24 HA GLN 24 -12.768 -1.948 -1.089
188 HB2 GLN 24 1HB GLN 24 -11.609 -3.159 0.487
189 HB3 GLN 24 2HB GLN 24 -10.299 -2.106 -0.032
190 HG2 GLN 24 1HG GLN 24 -11.085 -0.522 1.857
191 HG3 GLN 24 2HG GLN 24 -11.985 -1.910 2.461
192 HE21 GLN 24 2HE2 GLN 24 -9.841 -3.793 1.386
193 HE22 GLN 24 1HE2 GLN 24 -8.563 -3.669 2.495
194 H HIS 25 H HIS 25 -12.276 1.069 0.604
195 HA HIS 25 HA HIS 25 -14.527 0.566 2.442
196 HB2 HIS 25 1HB HIS 25 -12.415 1.916 3.001
197 HB3 HIS 25 2HB HIS 25 -13.111 3.202 2.017
198 HD1 HIS 25 HD1 HIS 25 -12.824 2.540 5.384
199 HD2 HIS 25 HD2 HIS 25 -16.176 3.272 3.011
200 HE1 HIS 25 HE1 HIS 25 -14.661 3.306 6.954
201 HE2 HIS 25 HE2 HIS 25 -16.705 3.754 5.519
202 H TYR 26 H TYR 26 -13.905 3.333 0.247
203 HA TYR 26 HA TYR 26 -16.742 3.894 0.074
204 HB2 TYR 26 1HB TYR 26 -14.556 5.018 -1.680
205 HB3 TYR 26 2HB TYR 26 -16.092 5.762 -1.255
206 HD1 TYR 26 HD2 TYR 26 -16.485 5.749 1.471
207 HD2 TYR 26 HD1 TYR 26 -12.701 5.902 -0.558
208 HE1 TYR 26 HE2 TYR 26 -15.444 6.758 3.481
209 HE2 TYR 26 HE1 TYR 26 -11.663 6.905 1.451
210 HH TYR 26 HH TYR 26 -12.377 8.207 3.434
211 H ILE 27 H ILE 27 -14.343 2.695 -2.308
212 HA ILE 27 HA ILE 27 -16.400 2.359 -4.339
213 HB ILE 27 HB ILE 27 -13.746 0.964 -4.438
214 HG12 ILE 27 1HG1 ILE 27 -13.198 3.174 -3.591
215 HG13 ILE 27 2HG1 ILE 27 -12.729 3.055 -5.286
216 HG21 ILE 27 1HG2 ILE 27 -15.364 0.664 -6.275
217 HG22 ILE 27 2HG2 ILE 27 -13.898 1.484 -6.811
218 HG23 ILE 27 3HG2 ILE 27 -15.371 2.410 -6.524
219 HD11 ILE 27 3HD1 ILE 27 -13.841 5.149 -4.961
220 HD12 ILE 27 1HD1 ILE 27 -15.193 4.362 -4.157
221 HD13 ILE 27 2HD1 ILE 27 -14.920 4.102 -5.875
222 H GLY 28 H GLY 28 -14.226 -0.200 -3.143
223 HA2 GLY 28 1HA GLY 28 -15.362 -2.077 -1.808
224 HA3 GLY 28 2HA GLY 28 -16.571 -2.072 -3.093
225 H TRP 29 H TRP 29 -14.715 -1.602 -5.256
226 HA TRP 29 HA TRP 29 -13.647 -4.355 -5.508
227 HB2 TRP 29 1HB TRP 29 -15.016 -2.996 -7.307
228 HB3 TRP 29 2HB TRP 29 -13.457 -2.248 -7.667
229 HD1 TRP 29 HD1 TRP 29 -14.971 -5.819 -7.408
230 HE1 TRP 29 HE1 TRP 29 -13.696 -7.297 -9.109
231 HE3 TRP 29 HE3 TRP 29 -11.567 -2.457 -9.077
232 HZ2 TRP 29 HZ2 TRP 29 -11.518 -7.061 -10.932
233 HZ3 TRP 29 HZ3 TRP 29 -9.912 -3.073 -10.781
234 HH2 TRP 29 HH2 TRP 29 -9.862 -5.376 -11.727
235 H CYS 30 H CYS 30 -11.431 -4.759 -6.060
236 HA CYS 30 HA CYS 30 -9.493 -2.562 -6.043
237 HB2 CYS 30 1HB CYS 30 -9.416 -4.682 -3.867
238 HB3 CYS 30 2HB CYS 30 -8.261 -3.377 -4.082
239 HA PRO 31 HA PRO 31 -7.632 -5.652 -8.591
240 HB2 PRO 31 1HB PRO 31 -4.975 -4.947 -8.548
241 HB3 PRO 31 2HB PRO 31 -6.209 -4.024 -9.430
242 HG2 PRO 31 1HG PRO 31 -5.002 -3.482 -6.753
243 HG3 PRO 31 2HG PRO 31 -5.393 -2.351 -8.061
244 HD2 PRO 31 1HD PRO 31 -6.996 -2.685 -5.870
245 HD3 PRO 31 2HD PRO 31 -7.636 -2.218 -7.456
246 H PHE 32 H PHE 32 -4.731 -5.360 -6.591
247 HA PHE 32 HA PHE 32 -5.410 -7.780 -5.048
248 HB2 PHE 32 1HB PHE 32 -3.002 -7.878 -6.872
249 HB3 PHE 32 2HB PHE 32 -3.730 -9.198 -5.958
250 HD1 PHE 32 HD2 PHE 32 -5.972 -10.092 -6.624
251 HD2 PHE 32 HD1 PHE 32 -3.857 -7.212 -9.008
252 HE1 PHE 32 HE2 PHE 32 -7.430 -10.623 -8.559
253 HE2 PHE 32 HE1 PHE 32 -5.315 -7.742 -10.943
254 HZ PHE 32 HZ PHE 32 -7.101 -9.447 -10.719
255 H TRP 33 H TRP 33 -4.785 -5.238 -4.000
256 HA TRP 33 HA TRP 33 -2.060 -4.763 -3.444
257 HB2 TRP 33 1HB TRP 33 -4.598 -4.143 -2.046
258 HB3 TRP 33 2HB TRP 33 -3.150 -4.008 -1.085
259 HD1 TRP 33 HD1 TRP 33 -1.191 -2.497 -2.272
260 HE1 TRP 33 HE1 TRP 33 -1.434 -0.219 -3.473
261 HE3 TRP 33 HE3 TRP 33 -6.142 -2.654 -3.412
262 HZ2 TRP 33 HZ2 TRP 33 -3.463 1.318 -4.731
263 HZ3 TRP 33 HZ3 TRP 33 -7.214 -0.769 -4.616
264 HH2 TRP 33 HH2 TRP 33 -5.885 1.208 -5.283
Start of MODEL 20
1 H1 ASN 1 1H ASN 1 6.333 -15.267 2.025
2 H2 ASN 1 2H ASN 1 7.147 -16.757 2.069
3 H3 ASN 1 3H ASN 1 6.952 -15.936 0.594
4 HA ASN 1 HA ASN 1 8.533 -14.934 2.899
5 HB2 ASN 1 1HB ASN 1 9.445 -16.106 0.252
6 HB3 ASN 1 2HB ASN 1 10.493 -15.470 1.521
7 HD21 ASN 1 2HD2 ASN 1 11.455 -17.700 1.642
8 HD22 ASN 1 1HD2 ASN 1 10.632 -18.913 2.500
9 H GLU 2 H GLU 2 10.132 -13.233 1.875
10 HA GLU 2 HA GLU 2 9.058 -11.769 -0.422
11 HB2 GLU 2 1HB GLU 2 8.842 -9.637 1.052
12 HB3 GLU 2 2HB GLU 2 7.527 -10.812 1.096
13 HG2 GLU 2 1HG GLU 2 9.816 -10.961 3.064
14 HG3 GLU 2 2HG GLU 2 8.420 -9.927 3.361
15 H LEU 3 H LEU 3 11.262 -12.194 -1.119
16 HA LEU 3 HA LEU 3 13.515 -11.102 0.386
17 HB2 LEU 3 1HB LEU 3 13.196 -12.187 -2.418
18 HB3 LEU 3 2HB LEU 3 14.726 -11.540 -1.833
19 HG LEU 3 HG LEU 3 14.559 -14.027 -1.606
20 HD11 LEU 3 1HD1 LEU 3 15.782 -12.363 0.073
21 HD12 LEU 3 2HD1 LEU 3 15.689 -14.088 0.412
22 HD13 LEU 3 3HD1 LEU 3 14.578 -12.978 1.208
23 HD21 LEU 3 3HD2 LEU 3 12.031 -13.865 -1.074
24 HD22 LEU 3 1HD2 LEU 3 12.540 -13.533 0.583
25 HD23 LEU 3 2HD2 LEU 3 12.976 -15.058 -0.187
26 H ASP 4 H ASP 4 11.137 -9.460 -0.650
27 HA ASP 4 HA ASP 4 12.095 -7.636 -2.635
28 HB2 ASP 4 1HB ASP 4 10.256 -6.146 -1.712
29 HB3 ASP 4 2HB ASP 4 9.734 -7.752 -2.221
30 H VAL 5 H VAL 5 14.106 -6.744 -2.152
31 HA VAL 5 HA VAL 5 14.662 -5.629 0.473
32 HB VAL 5 HB VAL 5 16.244 -5.421 -2.097
33 HG11 VAL 5 1HG1 VAL 5 16.960 -3.688 -0.623
34 HG12 VAL 5 2HG1 VAL 5 18.114 -5.005 -0.409
35 HG13 VAL 5 3HG1 VAL 5 16.843 -4.743 0.785
36 HG21 VAL 5 3HG2 VAL 5 16.708 -7.236 0.278
37 HG22 VAL 5 1HG2 VAL 5 17.482 -7.307 -1.303
38 HG23 VAL 5 2HG2 VAL 5 15.782 -7.745 -1.134
39 HA PRO 6 HA PRO 6 14.136 -1.639 -2.618
40 HB2 PRO 6 1HB PRO 6 11.421 -2.825 -3.167
41 HB3 PRO 6 2HB PRO 6 12.313 -1.599 -4.109
42 HG2 PRO 6 1HG PRO 6 12.395 -4.040 -4.931
43 HG3 PRO 6 2HG PRO 6 13.942 -3.179 -4.759
44 HD2 PRO 6 1HD PRO 6 12.712 -5.223 -2.942
45 HD3 PRO 6 2HD PRO 6 14.415 -5.051 -3.429
46 H GLU 7 H GLU 7 13.964 -0.128 -1.050
47 HA GLU 7 HA GLU 7 12.215 -0.539 1.242
48 HB2 GLU 7 1HB GLU 7 14.462 0.299 1.609
49 HB3 GLU 7 2HB GLU 7 14.142 1.690 0.572
50 HG2 GLU 7 1HG GLU 7 12.571 2.606 2.112
51 HG3 GLU 7 2HG GLU 7 12.477 1.101 3.027
52 H GLN 8 H GLN 8 12.644 2.505 -0.664
53 HA GLN 8 HA GLN 8 10.200 3.625 0.164
54 HB2 GLN 8 1HB GLN 8 11.558 3.952 -2.526
55 HB3 GLN 8 2HB GLN 8 10.214 4.952 -1.959
56 HG2 GLN 8 1HG GLN 8 12.324 6.101 -1.505
57 HG3 GLN 8 2HG GLN 8 11.590 5.604 0.020
58 HE21 GLN 8 2HE2 GLN 8 13.573 3.791 -2.394
59 HE22 GLN 8 1HE2 GLN 8 14.726 3.265 -1.266
60 H VAL 9 H VAL 9 10.740 0.934 -1.673
61 HA VAL 9 HA VAL 9 8.228 0.942 -3.160
62 HB VAL 9 HB VAL 9 10.590 -0.849 -2.743
63 HG11 VAL 9 1HG1 VAL 9 7.851 -1.794 -3.626
64 HG12 VAL 9 2HG1 VAL 9 8.932 -2.528 -2.441
65 HG13 VAL 9 3HG1 VAL 9 9.315 -2.621 -4.159
66 HG21 VAL 9 3HG2 VAL 9 9.084 0.177 -5.164
67 HG22 VAL 9 1HG2 VAL 9 10.408 -0.983 -5.269
68 HG23 VAL 9 2HG2 VAL 9 10.701 0.632 -4.623
69 H ASP 10 H ASP 10 9.618 -1.202 -0.670
70 HA ASP 10 HA ASP 10 7.301 -2.489 0.187
71 HB2 ASP 10 1HB ASP 10 9.515 -3.045 1.090
72 HB3 ASP 10 2HB ASP 10 9.602 -1.479 1.898
73 H LYS 11 H LYS 11 8.548 0.670 1.260
74 HA LYS 11 HA LYS 11 6.462 1.250 3.119
75 HB2 LYS 11 1HB LYS 11 8.058 3.143 1.366
76 HB3 LYS 11 2HB LYS 11 7.051 3.633 2.729
77 HG2 LYS 11 1HG LYS 11 8.570 1.769 3.987
78 HG3 LYS 11 2HG LYS 11 9.710 2.251 2.731
79 HD2 LYS 11 1HD LYS 11 9.469 4.608 3.413
80 HD3 LYS 11 2HD LYS 11 8.313 4.128 4.655
81 HE2 LYS 11 1HE LYS 11 10.673 4.449 5.501
82 HE3 LYS 11 2HE LYS 11 9.990 2.858 5.833
83 HZ1 LYS 11 3HZ LYS 11 11.199 1.912 4.067
84 HZ2 LYS 11 1HZ LYS 11 12.307 2.885 4.906
85 HZ3 LYS 11 2HZ LYS 11 11.641 3.428 3.441
86 H LEU 12 H LEU 12 6.811 2.132 -0.313
87 HA LEU 12 HA LEU 12 4.298 3.335 -0.692
88 HB2 LEU 12 1HB LEU 12 6.314 1.942 -2.355
89 HB3 LEU 12 2HB LEU 12 4.754 2.164 -3.095
90 HG LEU 12 HG LEU 12 6.638 3.964 -3.407
91 HD11 LEU 12 1HD1 LEU 12 3.782 4.669 -2.697
92 HD12 LEU 12 2HD1 LEU 12 4.405 4.245 -4.292
93 HD13 LEU 12 3HD1 LEU 12 4.898 5.755 -3.525
94 HD21 LEU 12 3HD2 LEU 12 6.728 4.148 -0.731
95 HD22 LEU 12 1HD2 LEU 12 5.461 5.331 -1.018
96 HD23 LEU 12 2HD2 LEU 12 7.047 5.520 -1.767
97 H ILE 13 H ILE 13 5.253 -0.068 -1.206
98 HA ILE 13 HA ILE 13 2.687 -1.116 -1.729
99 HB ILE 13 HB ILE 13 5.016 -2.340 -0.231
100 HG12 ILE 13 1HG1 ILE 13 4.279 -2.076 -3.147
101 HG13 ILE 13 2HG1 ILE 13 5.786 -1.659 -2.366
102 HG21 ILE 13 1HG2 ILE 13 2.782 -3.538 0.016
103 HG22 ILE 13 2HG2 ILE 13 4.067 -4.487 -0.717
104 HG23 ILE 13 3HG2 ILE 13 2.811 -3.775 -1.730
105 HD11 ILE 13 3HD1 ILE 13 4.727 -4.402 -2.974
106 HD12 ILE 13 1HD1 ILE 13 6.042 -4.132 -1.832
107 HD13 ILE 13 2HD1 ILE 13 6.235 -3.667 -3.521
108 H GLN 14 H GLN 14 4.413 -1.087 1.394
109 HA GLN 14 HA GLN 14 2.299 -1.872 3.039
110 HB2 GLN 14 1HB GLN 14 4.752 -0.250 3.427
111 HB3 GLN 14 2HB GLN 14 3.586 -0.226 4.723
112 HG2 GLN 14 1HG GLN 14 3.639 -2.717 4.775
113 HG3 GLN 14 2HG GLN 14 4.880 -2.691 3.521
114 HE21 GLN 14 2HE2 GLN 14 6.527 -3.607 4.938
115 HE22 GLN 14 1HE2 GLN 14 7.194 -2.712 6.217
116 H GLN 15 H GLN 15 3.038 1.345 1.771
117 HA GLN 15 HA GLN 15 1.053 2.749 3.280
118 HB2 GLN 15 1HB GLN 15 2.619 3.234 0.817
119 HB3 GLN 15 2HB GLN 15 1.228 4.261 1.053
120 HG2 GLN 15 1HG GLN 15 2.090 4.890 3.291
121 HG3 GLN 15 2HG GLN 15 3.503 3.870 3.022
122 HE21 GLN 15 2HE2 GLN 15 3.332 6.882 3.342
123 HE22 GLN 15 1HE2 GLN 15 4.073 7.511 1.951
124 H ALA 16 H ALA 16 0.937 0.767 0.419
125 HA ALA 16 HA ALA 16 -1.436 1.501 -0.826
126 HB1 ALA 16 3HB ALA 16 -1.576 -0.735 -1.626
127 HB2 ALA 16 1HB ALA 16 -0.777 -1.378 -0.189
128 HB3 ALA 16 2HB ALA 16 0.146 -0.441 -1.365
129 H THR 17 H THR 17 -1.064 0.511 2.426
130 HA THR 17 HA THR 17 -3.484 -0.810 3.013
131 HB THR 17 HB THR 17 -3.295 0.484 5.253
132 HG1 THR 17 HG1 THR 17 -0.737 1.145 4.351
133 HG21 THR 17 3HG2 THR 17 -1.117 -0.738 5.798
134 HG22 THR 17 1HG2 THR 17 -1.079 -1.219 4.102
135 HG23 THR 17 2HG2 THR 17 -2.416 -1.730 5.134
136 H SER 18 H SER 18 -2.847 2.557 2.292
137 HA SER 18 HA SER 18 -5.357 3.635 3.086
138 HB2 SER 18 1HB SER 18 -3.128 4.470 1.328
139 HB3 SER 18 2HB SER 18 -4.660 5.300 1.111
140 HG SER 18 HG SER 18 -3.860 4.927 3.728
141 H ILE 19 H ILE 19 -4.240 3.202 -0.262
142 HA ILE 19 HA ILE 19 -6.529 3.384 -1.691
143 HB ILE 19 HB ILE 19 -4.373 1.285 -2.011
144 HG12 ILE 19 1HG1 ILE 19 -4.706 4.033 -3.258
145 HG13 ILE 19 2HG1 ILE 19 -3.650 3.695 -1.886
146 HG21 ILE 19 1HG2 ILE 19 -6.458 2.392 -3.885
147 HG22 ILE 19 2HG2 ILE 19 -6.309 0.728 -3.333
148 HG23 ILE 19 3HG2 ILE 19 -5.090 1.413 -4.401
149 HD11 ILE 19 3HD1 ILE 19 -2.425 2.047 -3.239
150 HD12 ILE 19 1HD1 ILE 19 -2.387 3.642 -3.991
151 HD13 ILE 19 2HD1 ILE 19 -3.476 2.399 -4.608
152 H GLU 20 H GLU 20 -5.609 0.793 0.435
153 HA GLU 20 HA GLU 20 -7.777 -1.004 -0.367
154 HB2 GLU 20 1HB GLU 20 -5.776 -0.951 1.893
155 HB3 GLU 20 2HB GLU 20 -7.159 -2.039 1.985
156 HG2 GLU 20 1HG GLU 20 -6.513 -3.203 0.024
157 HG3 GLU 20 2HG GLU 20 -5.373 -1.941 -0.443
158 H ARG 21 H ARG 21 -7.120 1.054 2.475
159 HA ARG 21 HA ARG 21 -9.621 0.796 3.747
160 HB2 ARG 21 1HB ARG 21 -7.450 2.850 3.652
161 HB3 ARG 21 2HB ARG 21 -9.000 3.396 4.296
162 HG2 ARG 21 1HG ARG 21 -7.580 0.896 5.273
163 HG3 ARG 21 2HG ARG 21 -7.353 2.476 6.014
164 HD2 ARG 21 1HD ARG 21 -10.020 2.443 6.116
165 HD3 ARG 21 2HD ARG 21 -9.770 0.699 6.049
166 HE ARG 21 HE ARG 21 -9.228 2.386 8.324
167 HH11 ARG 21 1HH2 ARG 21 -8.136 -0.336 6.511
168 HH12 ARG 21 2HH2 ARG 21 -7.395 -1.112 7.871
169 HH21 ARG 21 1HH1 ARG 21 -8.266 1.390 10.109
170 HH22 ARG 21 2HH1 ARG 21 -7.468 -0.135 9.906
171 H LEU 22 H LEU 22 -8.587 2.979 1.151
172 HA LEU 22 HA LEU 22 -10.959 4.433 0.781
173 HB2 LEU 22 1HB LEU 22 -8.603 3.675 -0.812
174 HB3 LEU 22 2HB LEU 22 -9.934 4.382 -1.672
175 HG LEU 22 HG LEU 22 -9.849 6.299 -0.317
176 HD11 LEU 22 1HD1 LEU 22 -7.864 6.483 1.348
177 HD12 LEU 22 2HD1 LEU 22 -7.937 4.727 1.319
178 HD13 LEU 22 3HD1 LEU 22 -9.335 5.654 1.841
179 HD21 LEU 22 3HD2 LEU 22 -8.267 6.096 -2.226
180 HD22 LEU 22 1HD2 LEU 22 -7.033 5.590 -1.075
181 HD23 LEU 22 2HD2 LEU 22 -7.714 7.213 -0.979
182 H CYS 23 H CYS 23 -9.749 1.751 -1.152
183 HA CYS 23 HA CYS 23 -11.949 1.243 -2.733
184 HB2 CYS 23 1HB CYS 23 -11.037 -0.853 -3.208
185 HB3 CYS 23 2HB CYS 23 -9.639 -0.003 -2.562
186 H GLN 24 H GLN 24 -11.487 -0.136 0.542
187 HA GLN 24 HA GLN 24 -13.992 -1.516 0.565
188 HB2 GLN 24 1HB GLN 24 -12.428 -0.346 2.892
189 HB3 GLN 24 2HB GLN 24 -13.724 -1.535 3.027
190 HG2 GLN 24 1HG GLN 24 -12.331 -2.997 1.437
191 HG3 GLN 24 2HG GLN 24 -11.002 -1.885 1.758
192 HE21 GLN 24 2HE2 GLN 24 -9.857 -3.698 2.858
193 HE22 GLN 24 1HE2 GLN 24 -10.303 -4.146 4.434
194 H HIS 25 H HIS 25 -13.129 1.820 0.970
195 HA HIS 25 HA HIS 25 -15.799 2.516 2.072
196 HB2 HIS 25 1HB HIS 25 -13.751 3.560 3.025
197 HB3 HIS 25 2HB HIS 25 -13.428 4.300 1.455
198 HD1 HIS 25 HD1 HIS 25 -14.501 6.522 1.053
199 HD2 HIS 25 HD2 HIS 25 -16.430 4.408 4.088
200 HE1 HIS 25 HE1 HIS 25 -16.269 8.073 1.997
201 HE2 HIS 25 HE2 HIS 25 -17.449 6.796 3.843
202 H TYR 26 H TYR 26 -13.744 3.730 -0.631
203 HA TYR 26 HA TYR 26 -16.134 4.859 -1.911
204 HB2 TYR 26 1HB TYR 26 -13.241 4.829 -2.808
205 HB3 TYR 26 2HB TYR 26 -14.531 5.828 -3.469
206 HD1 TYR 26 HD1 TYR 26 -15.790 7.398 -1.850
207 HD2 TYR 26 HD2 TYR 26 -12.001 5.589 -0.937
208 HE1 TYR 26 HE1 TYR 26 -15.404 9.096 -0.084
209 HE2 TYR 26 HE2 TYR 26 -11.616 7.284 0.832
210 HH TYR 26 HH TYR 26 -12.398 9.097 1.840
211 H ILE 27 H ILE 27 -13.487 3.220 -3.629
212 HA ILE 27 HA ILE 27 -15.043 2.299 -5.740
213 HB ILE 27 HB ILE 27 -12.834 0.547 -4.708
214 HG12 ILE 27 1HG1 ILE 27 -11.897 2.735 -4.352
215 HG13 ILE 27 2HG1 ILE 27 -11.234 2.132 -5.862
216 HG21 ILE 27 1HG2 ILE 27 -13.501 1.538 -7.475
217 HG22 ILE 27 2HG2 ILE 27 -14.055 0.001 -6.810
218 HG23 ILE 27 3HG2 ILE 27 -12.332 0.286 -7.057
219 HD11 ILE 27 3HD1 ILE 27 -13.305 3.345 -6.907
220 HD12 ILE 27 1HD1 ILE 27 -11.881 4.273 -6.444
221 HD13 ILE 27 2HD1 ILE 27 -13.287 4.235 -5.389
222 H GLY 28 H GLY 28 -15.039 1.136 -2.502
223 HA2 GLY 28 1HA GLY 28 -16.406 -0.479 -1.481
224 HA3 GLY 28 2HA GLY 28 -17.302 -0.577 -2.998
225 H TRP 29 H TRP 29 -15.611 -1.548 -4.816
226 HA TRP 29 HA TRP 29 -15.175 -4.283 -3.911
227 HB2 TRP 29 1HB TRP 29 -15.751 -3.154 -6.357
228 HB3 TRP 29 2HB TRP 29 -14.026 -3.464 -6.545
229 HD1 TRP 29 HD1 TRP 29 -17.125 -5.466 -5.280
230 HE1 TRP 29 HE1 TRP 29 -16.846 -7.893 -6.138
231 HE3 TRP 29 HE3 TRP 29 -12.647 -5.038 -7.616
232 HZ2 TRP 29 HZ2 TRP 29 -14.961 -9.430 -7.623
233 HZ3 TRP 29 HZ3 TRP 29 -11.619 -6.965 -8.745
234 HH2 TRP 29 HH2 TRP 29 -12.759 -9.178 -8.761
235 H CYS 30 H CYS 30 -13.047 -5.373 -4.098
236 HA CYS 30 HA CYS 30 -10.652 -3.659 -4.119
237 HB2 CYS 30 1HB CYS 30 -11.310 -5.337 -1.684
238 HB3 CYS 30 2HB CYS 30 -9.899 -4.305 -1.906
239 HA PRO 31 HA PRO 31 -9.810 -7.531 -6.447
240 HB2 PRO 31 1HB PRO 31 -7.097 -6.292 -5.974
241 HB3 PRO 31 2HB PRO 31 -7.691 -7.163 -7.407
242 HG2 PRO 31 1HG PRO 31 -7.679 -4.539 -7.402
243 HG3 PRO 31 2HG PRO 31 -9.094 -5.408 -8.031
244 HD2 PRO 31 1HD PRO 31 -8.797 -3.917 -5.457
245 HD3 PRO 31 2HD PRO 31 -10.252 -4.159 -6.452
246 H PHE 32 H PHE 32 -6.712 -7.622 -4.933
247 HA PHE 32 HA PHE 32 -7.594 -9.126 -2.584
248 HB2 PHE 32 1HB PHE 32 -6.074 -10.569 -4.777
249 HB3 PHE 32 2HB PHE 32 -6.611 -11.250 -3.242
250 HD1 PHE 32 HD1 PHE 32 -9.060 -11.512 -2.780
251 HD2 PHE 32 HD2 PHE 32 -7.568 -10.348 -6.637
252 HE1 PHE 32 HE1 PHE 32 -11.246 -12.091 -3.799
253 HE2 PHE 32 HE2 PHE 32 -9.754 -10.926 -7.656
254 HZ PHE 32 HZ PHE 32 -11.592 -11.798 -6.237
255 H TRP 33 H TRP 33 -6.133 -7.017 -2.172
256 HA TRP 33 HA TRP 33 -3.395 -6.910 -2.614
257 HB2 TRP 33 1HB TRP 33 -5.135 -6.069 -0.360
258 HB3 TRP 33 2HB TRP 33 -3.417 -6.064 -0.054
259 HD1 TRP 33 HD1 TRP 33 -1.968 -4.332 -1.266
260 HE1 TRP 33 HE1 TRP 33 -2.499 -2.183 -2.603
261 HE3 TRP 33 HE3 TRP 33 -6.957 -5.000 -2.033
262 HZ2 TRP 33 HZ2 TRP 33 -4.735 -0.924 -3.814
263 HZ3 TRP 33 HZ3 TRP 33 -8.273 -3.309 -3.277
264 HH2 TRP 33 HH2 TRP 33 -7.173 -1.276 -4.175