Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
559279 | 2m4y RC | 19027 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 H MET 1 1.522 -0.730 1.265
2 HA MET 1 HA MET 1 1.240 -2.108 -1.243
3 HB2 MET 1 1HB MET 1 2.873 0.276 -0.378
4 HB3 MET 1 2HB MET 1 2.926 -0.373 -2.012
5 HG2 MET 1 1HG MET 1 1.376 1.276 -2.266
6 HG3 MET 1 2HG MET 1 0.330 -0.089 -1.881
7 HE1 MET 1 3HE MET 1 1.590 3.375 -0.945
8 HE2 MET 1 1HE MET 1 -0.060 3.292 -1.562
9 HE3 MET 1 2HE MET 1 0.237 3.847 0.085
10 H THR 2 H THR 2 3.095 -2.829 -2.525
11 HA THR 2 HA THR 2 4.926 -4.378 -0.868
12 HB THR 2 HB THR 2 4.408 -4.468 -3.846
13 HG1 THR 2 HG1 THR 2 2.764 -5.603 -3.136
14 HG21 THR 2 3HG2 THR 2 5.640 -6.729 -3.527
15 HG22 THR 2 1HG2 THR 2 6.308 -5.972 -2.082
16 HG23 THR 2 2HG2 THR 2 6.592 -5.251 -3.666
17 H ALA 3 H ALA 3 7.150 -4.255 -0.978
18 HA ALA 3 HA ALA 3 8.379 -2.292 -2.747
19 HB1 ALA 3 1HB ALA 3 9.305 -2.042 0.030
20 HB2 ALA 3 2HB ALA 3 9.026 -0.802 -1.193
21 HB3 ALA 3 3HB ALA 3 7.670 -1.453 -0.272
22 H TYR 4 H TYR 4 9.992 -3.347 -3.684
23 HA TYR 4 HA TYR 4 11.543 -5.266 -2.073
24 HB2 TYR 4 1HB TYR 4 10.670 -5.348 -4.945
25 HB3 TYR 4 2HB TYR 4 12.092 -6.242 -4.420
26 HD1 TYR 4 HD1 TYR 4 11.807 -7.943 -2.545
27 HD2 TYR 4 HD2 TYR 4 8.519 -6.227 -4.629
28 HE1 TYR 4 HE1 TYR 4 10.371 -9.792 -1.789
29 HE2 TYR 4 HE2 TYR 4 7.074 -8.070 -3.878
30 HH TYR 4 HH TYR 4 8.073 -10.880 -2.831
31 H ARG 5 H ARG 5 13.346 -4.231 -1.478
32 HA ARG 5 HA ARG 5 14.863 -2.807 -3.567
33 HB2 ARG 5 1HB ARG 5 14.059 -1.219 -1.926
34 HB3 ARG 5 2HB ARG 5 14.684 -2.206 -0.611
35 HG2 ARG 5 1HG ARG 5 16.736 -1.491 -2.537
36 HG3 ARG 5 2HG ARG 5 15.960 -0.084 -1.807
37 HD2 ARG 5 1HD ARG 5 16.317 -1.609 0.380
38 HD3 ARG 5 2HD ARG 5 17.683 -2.151 -0.594
39 HE ARG 5 HE ARG 5 18.677 -0.104 -0.293
40 HH11 ARG 5 1HH1 ARG 5 15.345 0.062 0.703
41 HH12 ARG 5 2HH1 ARG 5 15.501 1.633 1.416
42 HH21 ARG 5 1HH2 ARG 5 18.895 1.964 0.643
43 HH22 ARG 5 2HH2 ARG 5 17.520 2.715 1.381
44 H CYS 6 H CYS 6 16.558 -3.981 -4.157
45 HA CYS 6 HA CYS 6 18.379 -4.996 -2.149
46 HB2 CYS 6 1HB CYS 6 16.732 -6.844 -2.507
47 HB3 CYS 6 2HB CYS 6 17.211 -6.888 -4.199
48 HG CYS 6 HG CYS 6 19.973 -7.114 -2.564
49 HA PRO 7 HA PRO 7 20.535 -3.245 -5.789
50 HB2 PRO 7 1HB PRO 7 22.583 -2.214 -4.336
51 HB3 PRO 7 2HB PRO 7 21.043 -1.374 -4.557
52 HG2 PRO 7 1HG PRO 7 21.996 -3.003 -2.233
53 HG3 PRO 7 2HG PRO 7 21.132 -1.455 -2.234
54 HD2 PRO 7 1HD PRO 7 19.888 -3.818 -1.783
55 HD3 PRO 7 2HD PRO 7 19.085 -2.455 -2.589
56 H VAL 8 H VAL 8 21.204 -5.654 -3.506
57 HA VAL 8 HA VAL 8 23.886 -6.280 -4.173
58 HB VAL 8 HB VAL 8 21.764 -8.149 -3.110
59 HG11 VAL 8 1HG1 VAL 8 24.680 -8.365 -3.552
60 HG12 VAL 8 2HG1 VAL 8 24.054 -9.025 -2.039
61 HG13 VAL 8 3HG1 VAL 8 23.431 -9.609 -3.583
62 HG21 VAL 8 3HG2 VAL 8 22.828 -7.592 -0.890
63 HG22 VAL 8 1HG2 VAL 8 23.624 -6.246 -1.704
64 HG23 VAL 8 2HG2 VAL 8 21.864 -6.307 -1.618
65 H CYS 9 H CYS 9 20.871 -6.875 -5.730
66 HA CYS 9 HA CYS 9 22.209 -8.686 -7.631
67 HB2 CYS 9 1HB CYS 9 19.229 -8.586 -7.400
68 HB3 CYS 9 2HB CYS 9 20.265 -9.916 -7.901
69 HG CYS 9 HG CYS 9 21.258 -10.137 -5.145
70 H ASP 10 H ASP 10 19.643 -6.233 -7.372
71 HA ASP 10 HA ASP 10 20.579 -4.958 -9.790
72 HB2 ASP 10 1HB ASP 10 18.489 -5.124 -11.010
73 HB3 ASP 10 2HB ASP 10 19.079 -6.743 -10.643
74 H TYR 11 H TYR 11 19.407 -2.929 -10.232
75 HA TYR 11 HA TYR 11 19.261 -1.251 -8.086
76 HB2 TYR 11 1HB TYR 11 17.950 -1.148 -10.784
77 HB3 TYR 11 2HB TYR 11 17.648 0.121 -9.602
78 HD1 TYR 11 HD2 TYR 11 19.867 1.103 -8.496
79 HD2 TYR 11 HD1 TYR 11 19.677 -0.834 -12.280
80 HE1 TYR 11 HE2 TYR 11 21.944 2.234 -9.174
81 HE2 TYR 11 HE1 TYR 11 21.753 0.290 -12.967
82 HH TYR 11 HH TYR 11 23.841 1.313 -11.567
83 H THR 12 H THR 12 17.464 -0.182 -7.028
84 HA THR 12 HA THR 12 15.234 -2.042 -6.551
85 HB THR 12 HB THR 12 16.367 -1.709 -4.508
86 HG1 THR 12 HG1 THR 12 14.363 0.279 -4.311
87 HG21 THR 12 3HG2 THR 12 16.848 0.572 -3.616
88 HG22 THR 12 1HG2 THR 12 16.368 1.234 -5.177
89 HG23 THR 12 2HG2 THR 12 17.766 0.165 -5.065
90 H TYR 13 H TYR 13 13.174 -1.424 -6.885
91 HA TYR 13 HA TYR 13 12.518 1.393 -7.205
92 HB2 TYR 13 1HB TYR 13 11.963 -0.621 -9.393
93 HB3 TYR 13 2HB TYR 13 11.456 1.065 -9.385
94 HD1 TYR 13 HD2 TYR 13 13.404 2.814 -9.153
95 HD2 TYR 13 HD1 TYR 13 13.928 -1.197 -10.473
96 HE1 TYR 13 HE2 TYR 13 15.511 3.456 -10.248
97 HE2 TYR 13 HE1 TYR 13 16.037 -0.567 -11.571
98 HH TYR 13 HH TYR 13 17.077 1.525 -12.496
99 H ASP 14 H ASP 14 10.944 1.561 -5.745
100 HA ASP 14 HA ASP 14 9.191 -0.568 -5.046
101 HB2 ASP 14 1HB ASP 14 9.775 1.171 -3.434
102 HB3 ASP 14 2HB ASP 14 9.012 2.393 -4.448
103 H GLU 15 H GLU 15 6.867 -0.581 -5.267
104 HA GLU 15 HA GLU 15 5.973 -0.336 -7.878
105 HB2 GLU 15 1HB GLU 15 4.949 -1.377 -5.563
106 HB3 GLU 15 2HB GLU 15 3.873 -0.017 -5.848
107 HG2 GLU 15 1HG GLU 15 4.380 -1.605 -8.236
108 HG3 GLU 15 2HG GLU 15 3.622 -2.516 -6.930
109 H GLY 16 H GLY 16 5.426 1.874 -5.142
110 HA2 GLY 16 1HA GLY 16 4.154 3.811 -6.904
111 HA3 GLY 16 2HA GLY 16 4.345 3.951 -5.162
112 H LYS 17 H LYS 17 7.203 3.039 -6.727
113 HA LYS 17 HA LYS 17 8.521 5.452 -6.008
114 HB2 LYS 17 1HB LYS 17 9.431 2.999 -6.304
115 HB3 LYS 17 2HB LYS 17 9.708 3.521 -7.960
116 HG2 LYS 17 1HG LYS 17 11.731 3.945 -6.921
117 HG3 LYS 17 2HG LYS 17 10.933 5.520 -6.899
118 HD2 LYS 17 1HD LYS 17 10.174 5.048 -4.585
119 HD3 LYS 17 2HD LYS 17 11.099 3.545 -4.623
120 HE2 LYS 17 1HE LYS 17 12.200 6.339 -4.905
121 HE3 LYS 17 2HE LYS 17 12.358 5.290 -3.498
122 HZ1 LYS 17 3HZ LYS 17 13.884 5.326 -5.922
123 HZ2 LYS 17 1HZ LYS 17 13.320 3.777 -5.540
124 HZ3 LYS 17 2HZ LYS 17 14.257 4.635 -4.423
125 H GLY 18 H GLY 18 7.475 4.072 -9.103
126 HA2 GLY 18 1HA GLY 18 6.867 5.195 -11.038
127 HA3 GLY 18 2HA GLY 18 7.262 6.712 -10.243
128 H ASP 19 H ASP 19 8.851 3.811 -11.563
129 HA ASP 19 HA ASP 19 10.978 5.579 -12.583
130 HB2 ASP 19 1HB ASP 19 11.120 3.028 -11.103
131 HB3 ASP 19 2HB ASP 19 12.194 3.149 -12.493
132 HA PRO 20 HA PRO 20 8.864 3.564 -16.177
133 HB2 PRO 20 1HB PRO 20 8.851 5.803 -17.712
134 HB3 PRO 20 2HB PRO 20 7.581 5.436 -16.539
135 HG2 PRO 20 1HG PRO 20 9.937 7.263 -16.271
136 HG3 PRO 20 2HG PRO 20 8.257 7.521 -15.765
137 HD2 PRO 20 1HD PRO 20 10.204 6.789 -14.031
138 HD3 PRO 20 2HD PRO 20 8.513 6.281 -13.839
139 H ARG 21 H ARG 21 11.850 5.025 -15.524
140 HA ARG 21 HA ARG 21 13.001 4.932 -18.126
141 HB2 ARG 21 1HB ARG 21 14.056 5.240 -15.344
142 HB3 ARG 21 2HB ARG 21 15.180 4.884 -16.648
143 HG2 ARG 21 1HG ARG 21 15.197 7.209 -16.464
144 HG3 ARG 21 2HG ARG 21 14.158 6.882 -17.853
145 HD2 ARG 21 1HD ARG 21 12.221 7.414 -16.688
146 HD3 ARG 21 2HD ARG 21 12.982 7.171 -15.117
147 HE ARG 21 HE ARG 21 12.938 9.581 -16.654
148 HH11 ARG 21 1HH1 ARG 21 14.765 7.752 -14.322
149 HH12 ARG 21 2HH1 ARG 21 15.563 9.142 -13.663
150 HH21 ARG 21 1HH2 ARG 21 13.982 11.418 -15.795
151 HH22 ARG 21 2HH2 ARG 21 15.116 11.227 -14.501
152 H GLU 22 H GLU 22 12.495 2.603 -15.610
153 HA GLU 22 HA GLU 22 14.305 0.685 -16.875
154 HB2 GLU 22 1HB GLU 22 13.704 1.177 -14.231
155 HB3 GLU 22 2HB GLU 22 12.746 -0.254 -14.583
156 HG2 GLU 22 1HG GLU 22 14.982 -1.125 -15.622
157 HG3 GLU 22 2HG GLU 22 15.700 0.095 -14.571
158 H GLY 23 H GLY 23 11.700 1.616 -18.030
159 HA2 GLY 23 1HA GLY 23 10.110 0.618 -19.368
160 HA3 GLY 23 2HA GLY 23 10.806 -0.940 -18.945
161 H PHE 24 H PHE 24 9.996 0.934 -16.241
162 HA PHE 24 HA PHE 24 7.365 -0.356 -16.012
163 HB2 PHE 24 1HB PHE 24 9.296 -0.152 -13.702
164 HB3 PHE 24 2HB PHE 24 7.792 -1.065 -13.777
165 HD1 PHE 24 HD1 PHE 24 7.801 -2.751 -15.930
166 HD2 PHE 24 HD2 PHE 24 11.193 -1.420 -13.731
167 HE1 PHE 24 HE1 PHE 24 9.047 -4.746 -16.651
168 HE2 PHE 24 HE2 PHE 24 12.445 -3.413 -14.449
169 HZ PHE 24 HZ PHE 24 11.372 -5.079 -15.912
170 HA PRO 25 HA PRO 25 6.947 4.140 -15.158
171 HB2 PRO 25 1HB PRO 25 4.489 4.338 -16.293
172 HB3 PRO 25 2HB PRO 25 5.988 4.441 -17.224
173 HG2 PRO 25 1HG PRO 25 4.145 2.111 -16.852
174 HG3 PRO 25 2HG PRO 25 4.944 2.681 -18.329
175 HD2 PRO 25 1HD PRO 25 5.870 0.584 -16.888
176 HD3 PRO 25 2HD PRO 25 6.945 1.676 -17.784
177 H ALA 26 H ALA 26 4.914 5.268 -14.194
178 HA ALA 26 HA ALA 26 4.391 4.243 -11.688
179 HB1 ALA 26 1HB ALA 26 3.063 6.305 -13.378
180 HB2 ALA 26 2HB ALA 26 2.286 5.799 -11.878
181 HB3 ALA 26 3HB ALA 26 3.912 6.480 -11.842
182 H GLY 27 H GLY 27 2.862 2.946 -10.781
183 HA2 GLY 27 1HA GLY 27 0.816 1.770 -10.694
184 HA3 GLY 27 2HA GLY 27 0.639 1.997 -12.428
185 H THR 28 H THR 28 3.345 1.091 -13.028
186 HA THR 28 HA THR 28 2.873 -1.584 -13.555
187 HB THR 28 HB THR 28 5.583 -0.295 -13.183
188 HG1 THR 28 HG1 THR 28 4.290 -0.671 -15.665
189 HG21 THR 28 3HG2 THR 28 4.734 -2.749 -14.726
190 HG22 THR 28 1HG2 THR 28 5.717 -2.725 -13.263
191 HG23 THR 28 2HG2 THR 28 6.344 -2.031 -14.759
192 H ARG 29 H ARG 29 2.443 -3.103 -12.088
193 HA ARG 29 HA ARG 29 3.390 -3.036 -9.412
194 HB2 ARG 29 1HB ARG 29 2.278 -5.436 -10.866
195 HB3 ARG 29 2HB ARG 29 2.278 -5.140 -9.133
196 HG2 ARG 29 1HG ARG 29 0.774 -3.479 -11.142
197 HG3 ARG 29 2HG ARG 29 0.076 -4.803 -10.207
198 HD2 ARG 29 1HD ARG 29 1.129 -3.407 -8.201
199 HD3 ARG 29 2HD ARG 29 0.900 -2.087 -9.347
200 HE ARG 29 HE ARG 29 -1.122 -3.420 -7.861
201 HH11 ARG 29 1HH1 ARG 29 -0.475 -1.893 -10.922
202 HH12 ARG 29 2HH1 ARG 29 -2.128 -1.454 -11.200
203 HH21 ARG 29 1HH2 ARG 29 -3.301 -2.848 -8.215
204 HH22 ARG 29 2HH2 ARG 29 -3.735 -1.996 -9.659
205 H TRP 30 H TRP 30 4.850 -4.450 -8.372
206 HA TRP 30 HA TRP 30 7.282 -4.851 -9.665
207 HB2 TRP 30 1HB TRP 30 7.838 -6.309 -7.689
208 HB3 TRP 30 2HB TRP 30 7.232 -4.708 -7.276
209 HD1 TRP 30 HD1 TRP 30 4.864 -4.561 -6.071
210 HE1 TRP 30 HE1 TRP 30 3.411 -6.322 -4.883
211 HE3 TRP 30 HE3 TRP 30 7.161 -8.796 -7.781
212 HZ2 TRP 30 HZ2 TRP 30 3.259 -9.134 -4.694
213 HZ3 TRP 30 HZ3 TRP 30 6.300 -10.982 -7.049
214 HH2 TRP 30 HH2 TRP 30 4.390 -11.145 -5.537
215 H ASP 31 H ASP 31 4.483 -6.906 -9.428
216 HA ASP 31 HA ASP 31 5.740 -9.340 -10.170
217 HB2 ASP 31 1HB ASP 31 3.444 -10.127 -10.646
218 HB3 ASP 31 2HB ASP 31 3.565 -9.337 -9.076
219 H GLN 32 H GLN 32 4.887 -6.539 -11.920
220 HA GLN 32 HA GLN 32 4.358 -7.636 -14.456
221 HB2 GLN 32 1HB GLN 32 5.593 -4.966 -13.760
222 HB3 GLN 32 2HB GLN 32 4.920 -5.401 -15.325
223 HG2 GLN 32 1HG GLN 32 3.294 -5.455 -12.804
224 HG3 GLN 32 2HG GLN 32 3.466 -4.008 -13.795
225 HE21 GLN 32 2HE2 GLN 32 1.126 -5.710 -13.150
226 HE22 GLN 32 1HE2 GLN 32 0.457 -6.157 -14.678
227 H ILE 33 H ILE 33 7.362 -6.760 -12.837
228 HA ILE 33 HA ILE 33 9.087 -7.019 -15.040
229 HB ILE 33 HB ILE 33 9.714 -7.544 -12.132
230 HG12 ILE 33 1HG1 ILE 33 10.702 -5.040 -13.017
231 HG13 ILE 33 2HG1 ILE 33 9.018 -5.132 -13.523
232 HG21 ILE 33 1HG2 ILE 33 11.389 -8.420 -13.716
233 HG22 ILE 33 2HG2 ILE 33 11.554 -6.805 -14.403
234 HG23 ILE 33 3HG2 ILE 33 12.016 -7.101 -12.727
235 HD11 ILE 33 3HD1 ILE 33 9.610 -5.947 -10.750
236 HD12 ILE 33 1HD1 ILE 33 9.783 -4.235 -11.134
237 HD13 ILE 33 2HD1 ILE 33 8.242 -5.049 -11.408
238 HA PRO 34 HA PRO 34 8.997 -11.391 -15.708
239 HB2 PRO 34 1HB PRO 34 11.175 -11.538 -17.323
240 HB3 PRO 34 2HB PRO 34 9.616 -10.908 -17.868
241 HG2 PRO 34 1HG PRO 34 12.054 -9.418 -16.975
242 HG3 PRO 34 2HG PRO 34 10.979 -9.086 -18.346
243 HD2 PRO 34 1HD PRO 34 10.818 -7.731 -16.007
244 HD3 PRO 34 2HD PRO 34 9.398 -8.060 -17.020
245 H ASP 35 H ASP 35 9.739 -13.020 -14.505
246 HA ASP 35 HA ASP 35 11.803 -12.672 -12.605
247 HB2 ASP 35 1HB ASP 35 10.281 -15.093 -13.560
248 HB3 ASP 35 2HB ASP 35 11.533 -15.202 -12.325
249 H ASP 36 H ASP 36 11.891 -13.438 -15.897
250 HA ASP 36 HA ASP 36 14.446 -14.846 -15.710
251 HB2 ASP 36 1HB ASP 36 12.588 -14.284 -18.023
252 HB3 ASP 36 2HB ASP 36 14.176 -15.019 -18.225
253 H TRP 37 H TRP 37 14.088 -11.969 -15.053
254 HA TRP 37 HA TRP 37 15.161 -10.362 -17.108
255 HB2 TRP 37 1HB TRP 37 13.980 -9.489 -15.097
256 HB3 TRP 37 2HB TRP 37 15.377 -9.933 -14.121
257 HD1 TRP 37 HD1 TRP 37 17.673 -8.524 -14.585
258 HE1 TRP 37 HE1 TRP 37 18.000 -6.113 -15.424
259 HE3 TRP 37 HE3 TRP 37 13.038 -7.726 -16.588
260 HZ2 TRP 37 HZ2 TRP 37 16.492 -4.135 -16.758
261 HZ3 TRP 37 HZ3 TRP 37 12.561 -5.547 -17.626
262 HH2 TRP 37 HH2 TRP 37 14.254 -3.789 -17.708
263 H CYS 38 H CYS 38 17.255 -9.604 -17.464
264 HA CYS 38 HA CYS 38 19.369 -11.320 -16.348
265 HB2 CYS 38 1HB CYS 38 19.088 -9.928 -19.002
266 HB3 CYS 38 2HB CYS 38 20.654 -10.478 -18.419
267 HG CYS 38 HG CYS 38 18.268 -12.188 -19.906
268 H CYS 39 H CYS 39 20.750 -10.417 -14.982
269 HA CYS 39 HA CYS 39 21.378 -7.565 -15.260
270 HB2 CYS 39 1HB CYS 39 20.021 -8.863 -13.018
271 HB3 CYS 39 2HB CYS 39 21.452 -7.966 -12.526
272 HG CYS 39 HG CYS 39 18.478 -6.829 -13.136
273 HA PRO 40 HA PRO 40 25.568 -8.694 -14.634
274 HB2 PRO 40 1HB PRO 40 26.523 -6.631 -13.151
275 HB3 PRO 40 2HB PRO 40 26.105 -6.472 -14.861
276 HG2 PRO 40 1HG PRO 40 24.514 -5.706 -12.444
277 HG3 PRO 40 2HG PRO 40 24.750 -4.812 -13.957
278 HD2 PRO 40 1HD PRO 40 22.509 -6.241 -13.444
279 HD3 PRO 40 2HD PRO 40 23.165 -6.050 -15.082
280 H ASP 41 H ASP 41 24.190 -7.406 -11.603
281 HA ASP 41 HA ASP 41 25.904 -9.095 -10.006
282 HB2 ASP 41 1HB ASP 41 24.701 -6.682 -9.553
283 HB3 ASP 41 2HB ASP 41 23.639 -7.775 -8.670
284 H CYS 42 H CYS 42 22.387 -8.796 -10.499
285 HA CYS 42 HA CYS 42 21.587 -10.953 -8.949
286 HB2 CYS 42 1HB CYS 42 20.105 -9.222 -10.037
287 HB3 CYS 42 2HB CYS 42 20.278 -10.118 -11.541
288 HG CYS 42 HG CYS 42 18.097 -10.559 -9.191
289 H SER 43 H SER 43 23.186 -10.914 -11.996
290 HA SER 43 HA SER 43 22.426 -13.278 -13.181
291 HB2 SER 43 1HB SER 43 23.937 -12.273 -14.546
292 HB3 SER 43 2HB SER 43 24.863 -11.611 -13.198
293 HG SER 43 HG SER 43 25.940 -13.277 -14.472
294 H VAL 44 H VAL 44 24.419 -12.791 -10.359
295 HA VAL 44 HA VAL 44 24.821 -15.704 -10.157
296 HB VAL 44 HB VAL 44 26.386 -13.568 -8.708
297 HG11 VAL 44 1HG1 VAL 44 27.884 -15.896 -8.926
298 HG12 VAL 44 2HG1 VAL 44 27.063 -15.299 -7.482
299 HG13 VAL 44 3HG1 VAL 44 26.256 -16.453 -8.544
300 HG21 VAL 44 3HG2 VAL 44 27.023 -13.197 -10.904
301 HG22 VAL 44 1HG2 VAL 44 28.208 -14.387 -10.367
302 HG23 VAL 44 2HG2 VAL 44 26.836 -14.892 -11.353
303 H ARG 45 H ARG 45 23.301 -12.974 -8.768
304 HA ARG 45 HA ARG 45 22.787 -14.415 -6.260
305 HB2 ARG 45 1HB ARG 45 22.558 -11.507 -7.016
306 HB3 ARG 45 2HB ARG 45 21.847 -12.149 -5.542
307 HG2 ARG 45 1HG ARG 45 23.899 -11.289 -4.864
308 HG3 ARG 45 2HG ARG 45 24.189 -13.024 -5.010
309 HD2 ARG 45 1HD ARG 45 25.297 -12.745 -7.094
310 HD3 ARG 45 2HD ARG 45 24.784 -11.062 -7.214
311 HE ARG 45 HE ARG 45 26.285 -11.299 -4.889
312 HH11 ARG 45 1HH1 ARG 45 26.743 -11.642 -8.323
313 HH12 ARG 45 2HH1 ARG 45 28.414 -11.186 -8.277
314 HH21 ARG 45 1HH2 ARG 45 28.483 -10.698 -4.816
315 HH22 ARG 45 2HH2 ARG 45 29.403 -10.650 -6.282
316 H GLU 46 H GLU 46 20.895 -15.387 -5.988
317 HA GLU 46 HA GLU 46 18.901 -15.559 -7.888
318 HB2 GLU 46 1HB GLU 46 18.974 -16.084 -4.942
319 HB3 GLU 46 2HB GLU 46 17.441 -16.182 -5.795
320 HG2 GLU 46 1HG GLU 46 19.816 -17.666 -6.823
321 HG3 GLU 46 2HG GLU 46 18.881 -18.310 -5.474
322 H LYS 47 H LYS 47 16.679 -14.792 -7.846
323 HA LYS 47 HA LYS 47 16.574 -11.950 -7.393
324 HB2 LYS 47 1HB LYS 47 15.561 -13.033 -9.389
325 HB3 LYS 47 2HB LYS 47 14.394 -13.821 -8.336
326 HG2 LYS 47 1HG LYS 47 13.098 -12.067 -8.814
327 HG3 LYS 47 2HG LYS 47 14.084 -11.218 -7.621
328 HD2 LYS 47 1HD LYS 47 15.230 -10.043 -9.204
329 HD3 LYS 47 2HD LYS 47 15.099 -11.327 -10.408
330 HE2 LYS 47 1HE LYS 47 12.581 -10.008 -9.593
331 HE3 LYS 47 2HE LYS 47 13.710 -9.036 -10.535
332 HZ1 LYS 47 3HZ LYS 47 13.629 -11.450 -11.821
333 HZ2 LYS 47 1HZ LYS 47 12.857 -10.027 -12.312
334 HZ3 LYS 47 2HZ LYS 47 12.019 -11.168 -11.385
335 H VAL 48 H VAL 48 15.470 -14.816 -5.782
336 HA VAL 48 HA VAL 48 13.494 -13.540 -4.154
337 HB VAL 48 HB VAL 48 13.504 -15.986 -4.657
338 HG11 VAL 48 1HG1 VAL 48 15.532 -16.357 -2.499
339 HG12 VAL 48 2HG1 VAL 48 15.052 -17.456 -3.794
340 HG13 VAL 48 3HG1 VAL 48 16.068 -16.059 -4.152
341 HG21 VAL 48 3HG2 VAL 48 12.145 -16.130 -2.906
342 HG22 VAL 48 1HG2 VAL 48 13.524 -16.222 -1.811
343 HG23 VAL 48 2HG2 VAL 48 12.854 -14.652 -2.255
344 H ASP 49 H ASP 49 16.829 -13.414 -4.165
345 HA ASP 49 HA ASP 49 17.466 -13.471 -1.425
346 HB2 ASP 49 1HB ASP 49 19.021 -13.445 -3.509
347 HB3 ASP 49 2HB ASP 49 18.899 -11.693 -3.377
348 H PHE 50 H PHE 50 15.771 -11.178 -3.305
349 HA PHE 50 HA PHE 50 16.338 -8.760 -2.103
350 HB2 PHE 50 1HB PHE 50 13.911 -9.912 -3.397
351 HB3 PHE 50 2HB PHE 50 13.739 -8.396 -2.518
352 HD1 PHE 50 HD1 PHE 50 16.071 -9.941 -4.991
353 HD2 PHE 50 HD2 PHE 50 13.948 -6.471 -3.737
354 HE1 PHE 50 HE1 PHE 50 16.924 -8.716 -6.947
355 HE2 PHE 50 HE2 PHE 50 14.796 -5.241 -5.692
356 HZ PHE 50 HZ PHE 50 16.285 -6.364 -7.301
357 H GLU 51 H GLU 51 14.811 -7.534 -0.611
358 HA GLU 51 HA GLU 51 13.693 -9.218 1.503
359 HB2 GLU 51 1HB GLU 51 16.002 -7.350 1.775
360 HB3 GLU 51 2HB GLU 51 14.848 -7.440 3.099
361 HG2 GLU 51 1HG GLU 51 16.105 -9.905 1.953
362 HG3 GLU 51 2HG GLU 51 16.913 -8.942 3.188
363 H ARG 52 H ARG 52 11.639 -8.569 1.524
364 HA ARG 52 HA ARG 52 10.701 -6.061 0.695
365 HB2 ARG 52 1HB ARG 52 9.276 -8.051 0.780
366 HB3 ARG 52 2HB ARG 52 9.391 -8.072 2.534
367 HG2 ARG 52 1HG ARG 52 8.338 -5.774 2.501
368 HG3 ARG 52 2HG ARG 52 7.997 -6.063 0.793
369 HD2 ARG 52 1HD ARG 52 6.042 -6.712 1.915
370 HD3 ARG 52 2HD ARG 52 6.878 -8.221 1.551
371 HE ARG 52 HE ARG 52 7.746 -7.611 4.042
372 HH11 ARG 52 1HH1 ARG 52 4.590 -7.898 2.600
373 HH12 ARG 52 2HH1 ARG 52 3.824 -8.411 4.067
374 HH21 ARG 52 1HH2 ARG 52 6.748 -8.285 5.979
375 HH22 ARG 52 2HH2 ARG 52 5.052 -8.630 5.988
376 H MET 53 H MET 53 10.293 -4.176 1.732
377 HA MET 53 HA MET 53 11.510 -3.808 4.330
378 HB2 MET 53 1HB MET 53 10.420 -2.008 2.211
379 HB3 MET 53 2HB MET 53 10.577 -1.384 3.847
380 HG2 MET 53 1HG MET 53 12.862 -2.691 2.411
381 HG3 MET 53 2HG MET 53 12.503 -0.973 2.249
382 HE1 MET 53 3HE MET 53 15.552 -0.661 4.273
383 HE2 MET 53 1HE MET 53 15.498 -2.409 4.042
384 HE3 MET 53 2HE MET 53 15.005 -1.331 2.736
385 H GLY 54 H GLY 54 10.225 -2.194 5.823
386 HA2 GLY 54 1HA GLY 54 7.374 -2.570 5.884
387 HA3 GLY 54 2HA GLY 54 8.214 -3.530 7.093
388 H GLY 55 H GLY 55 7.942 -0.195 5.883
389 HA2 GLY 55 1HA GLY 55 8.546 0.740 8.616
390 HA3 GLY 55 2HA GLY 55 8.800 1.684 7.155
391 H LYS 56 H LYS 56 7.561 3.152 8.778
392 HA LYS 56 HA LYS 56 4.668 2.740 8.563
393 HB2 LYS 56 1HB LYS 56 4.536 4.639 10.186
394 HB3 LYS 56 2HB LYS 56 5.401 3.233 10.794
395 HG2 LYS 56 1HG LYS 56 7.456 4.291 10.697
396 HG3 LYS 56 2HG LYS 56 6.897 5.489 9.527
397 HD2 LYS 56 1HD LYS 56 5.322 6.273 11.411
398 HD3 LYS 56 2HD LYS 56 6.383 5.352 12.479
399 HE2 LYS 56 1HE LYS 56 7.142 7.615 12.468
400 HE3 LYS 56 2HE LYS 56 8.307 6.653 11.559
401 HZ1 LYS 56 3HZ LYS 56 6.284 7.664 9.848
402 HZ2 LYS 56 1HZ LYS 56 7.959 7.889 9.770
403 HZ3 LYS 56 2HZ LYS 56 7.009 8.928 10.706
Start of MODEL 2
1 H1 MET 1 H MET 1 1.343 -0.934 0.512
2 HA MET 1 HA MET 1 1.108 -1.206 -2.391
3 HB2 MET 1 1HB MET 1 2.726 0.635 -2.737
4 HB3 MET 1 2HB MET 1 1.208 1.188 -2.044
5 HG2 MET 1 1HG MET 1 2.618 2.322 -0.699
6 HG3 MET 1 2HG MET 1 2.551 0.816 0.213
7 HE1 MET 1 3HE MET 1 4.211 3.340 -1.531
8 HE2 MET 1 1HE MET 1 5.773 3.186 -0.725
9 HE3 MET 1 2HE MET 1 5.590 2.663 -2.400
10 H THR 2 H THR 2 3.028 -1.940 -3.428
11 HA THR 2 HA THR 2 4.705 -3.535 -1.655
12 HB THR 2 HB THR 2 4.492 -3.528 -4.672
13 HG1 THR 2 HG1 THR 2 2.899 -4.866 -4.323
14 HG21 THR 2 3HG2 THR 2 6.126 -5.190 -2.769
15 HG22 THR 2 1HG2 THR 2 6.670 -4.290 -4.184
16 HG23 THR 2 2HG2 THR 2 5.707 -5.754 -4.387
17 H ALA 3 H ALA 3 6.907 -3.351 -1.488
18 HA ALA 3 HA ALA 3 8.360 -1.467 -3.140
19 HB1 ALA 3 1HB ALA 3 9.120 -0.059 -1.349
20 HB2 ALA 3 2HB ALA 3 7.356 -0.065 -1.354
21 HB3 ALA 3 3HB ALA 3 8.238 -1.020 -0.161
22 H TYR 4 H TYR 4 10.128 -2.554 -3.676
23 HA TYR 4 HA TYR 4 11.476 -4.157 -1.605
24 HB2 TYR 4 1HB TYR 4 10.861 -4.823 -4.462
25 HB3 TYR 4 2HB TYR 4 12.278 -5.523 -3.689
26 HD1 TYR 4 HD1 TYR 4 8.590 -5.283 -3.507
27 HD2 TYR 4 HD2 TYR 4 12.073 -7.321 -2.159
28 HE1 TYR 4 HE1 TYR 4 7.175 -7.032 -2.512
29 HE2 TYR 4 HE2 TYR 4 10.668 -9.076 -1.162
30 HH TYR 4 HH TYR 4 8.566 -9.649 -0.591
31 H ARG 5 H ARG 5 13.697 -4.066 -1.521
32 HA ARG 5 HA ARG 5 15.112 -2.448 -3.499
33 HB2 ARG 5 1HB ARG 5 14.437 -0.857 -1.766
34 HB3 ARG 5 2HB ARG 5 15.167 -1.875 -0.531
35 HG2 ARG 5 1HG ARG 5 16.932 -1.019 -2.736
36 HG3 ARG 5 2HG ARG 5 16.396 0.235 -1.616
37 HD2 ARG 5 1HD ARG 5 17.088 -1.803 0.075
38 HD3 ARG 5 2HD ARG 5 18.275 -1.972 -1.218
39 HE ARG 5 HE ARG 5 18.205 0.056 0.764
40 HH11 ARG 5 1HH1 ARG 5 18.973 -0.511 -2.584
41 HH12 ARG 5 2HH1 ARG 5 20.128 0.777 -2.672
42 HH21 ARG 5 1HH2 ARG 5 19.724 1.754 0.661
43 HH22 ARG 5 2HH2 ARG 5 20.556 2.064 -0.825
44 H CYS 6 H CYS 6 16.607 -3.839 -4.184
45 HA CYS 6 HA CYS 6 18.508 -4.913 -2.282
46 HB2 CYS 6 1HB CYS 6 16.383 -6.533 -3.233
47 HB3 CYS 6 2HB CYS 6 17.849 -7.081 -4.036
48 HG CYS 6 HG CYS 6 19.148 -7.948 -1.875
49 HA PRO 7 HA PRO 7 20.495 -3.491 -6.150
50 HB2 PRO 7 1HB PRO 7 22.743 -2.607 -4.910
51 HB3 PRO 7 2HB PRO 7 21.270 -1.638 -5.036
52 HG2 PRO 7 1HG PRO 7 22.270 -3.275 -2.738
53 HG3 PRO 7 2HG PRO 7 21.549 -1.655 -2.727
54 HD2 PRO 7 1HD PRO 7 20.145 -3.880 -2.085
55 HD3 PRO 7 2HD PRO 7 19.399 -2.475 -2.874
56 H VAL 8 H VAL 8 21.146 -5.877 -3.836
57 HA VAL 8 HA VAL 8 23.697 -6.770 -4.617
58 HB VAL 8 HB VAL 8 22.503 -7.492 -2.547
59 HG11 VAL 8 1HG1 VAL 8 20.767 -9.049 -2.565
60 HG12 VAL 8 2HG1 VAL 8 20.341 -7.936 -3.866
61 HG13 VAL 8 3HG1 VAL 8 21.063 -9.501 -4.243
62 HG21 VAL 8 3HG2 VAL 8 23.057 -10.105 -3.591
63 HG22 VAL 8 1HG2 VAL 8 24.234 -8.948 -4.212
64 HG23 VAL 8 2HG2 VAL 8 24.007 -9.127 -2.472
65 H CYS 9 H CYS 9 20.632 -7.004 -6.147
66 HA CYS 9 HA CYS 9 21.740 -8.925 -8.088
67 HB2 CYS 9 1HB CYS 9 19.165 -9.247 -8.575
68 HB3 CYS 9 2HB CYS 9 19.953 -10.120 -7.267
69 HG CYS 9 HG CYS 9 17.953 -9.466 -5.760
70 H ASP 10 H ASP 10 19.385 -6.271 -7.768
71 HA ASP 10 HA ASP 10 20.429 -5.014 -10.150
72 HB2 ASP 10 1HB ASP 10 18.372 -5.020 -11.411
73 HB3 ASP 10 2HB ASP 10 18.796 -6.687 -11.027
74 H TYR 11 H TYR 11 19.432 -2.892 -10.544
75 HA TYR 11 HA TYR 11 19.358 -1.279 -8.335
76 HB2 TYR 11 1HB TYR 11 17.977 -0.894 -10.995
77 HB3 TYR 11 2HB TYR 11 18.130 0.372 -9.782
78 HD1 TYR 11 HD1 TYR 11 20.365 1.279 -9.218
79 HD2 TYR 11 HD2 TYR 11 19.819 -1.506 -12.387
80 HE1 TYR 11 HE1 TYR 11 22.572 1.883 -10.121
81 HE2 TYR 11 HE2 TYR 11 22.025 -0.911 -13.298
82 HH TYR 11 HH TYR 11 23.594 1.674 -12.773
83 H THR 12 H THR 12 17.630 -0.116 -7.284
84 HA THR 12 HA THR 12 15.213 -1.771 -7.000
85 HB THR 12 HB THR 12 16.319 -1.664 -4.906
86 HG1 THR 12 HG1 THR 12 13.964 -1.008 -5.054
87 HG21 THR 12 3HG2 THR 12 16.495 0.946 -4.072
88 HG22 THR 12 1HG2 THR 12 16.972 1.054 -5.766
89 HG23 THR 12 2HG2 THR 12 17.837 -0.027 -4.673
90 H TYR 13 H TYR 13 13.212 -0.903 -7.245
91 HA TYR 13 HA TYR 13 12.896 1.978 -7.505
92 HB2 TYR 13 1HB TYR 13 12.045 0.107 -9.723
93 HB3 TYR 13 2HB TYR 13 11.828 1.853 -9.684
94 HD1 TYR 13 HD2 TYR 13 13.970 3.290 -9.572
95 HD2 TYR 13 HD1 TYR 13 13.951 -0.813 -10.698
96 HE1 TYR 13 HE2 TYR 13 16.147 3.590 -10.676
97 HE2 TYR 13 HE1 TYR 13 16.129 -0.525 -11.804
98 HH TYR 13 HH TYR 13 17.418 1.454 -12.846
99 H ASP 14 H ASP 14 11.446 2.176 -5.894
100 HA ASP 14 HA ASP 14 9.390 0.284 -5.363
101 HB2 ASP 14 1HB ASP 14 10.382 1.828 -3.661
102 HB3 ASP 14 2HB ASP 14 9.539 3.161 -4.445
103 H GLU 15 H GLU 15 7.236 0.306 -5.868
104 HA GLU 15 HA GLU 15 6.403 1.326 -8.296
105 HB2 GLU 15 1HB GLU 15 4.716 0.619 -5.889
106 HB3 GLU 15 2HB GLU 15 4.092 0.858 -7.515
107 HG2 GLU 15 1HG GLU 15 5.793 -0.986 -8.166
108 HG3 GLU 15 2HG GLU 15 5.770 -1.363 -6.444
109 H GLY 16 H GLY 16 5.745 2.638 -5.050
110 HA2 GLY 16 1HA GLY 16 4.249 4.861 -5.871
111 HA3 GLY 16 2HA GLY 16 5.142 4.742 -4.362
112 H LYS 17 H LYS 17 7.601 4.245 -6.173
113 HA LYS 17 HA LYS 17 8.359 7.039 -6.291
114 HB2 LYS 17 1HB LYS 17 9.731 4.755 -5.669
115 HB3 LYS 17 2HB LYS 17 10.254 5.041 -7.323
116 HG2 LYS 17 1HG LYS 17 11.744 6.468 -6.521
117 HG3 LYS 17 2HG LYS 17 10.405 7.530 -6.078
118 HD2 LYS 17 1HD LYS 17 11.471 7.295 -4.053
119 HD3 LYS 17 2HD LYS 17 10.286 5.990 -3.961
120 HE2 LYS 17 1HE LYS 17 12.210 4.584 -5.051
121 HE3 LYS 17 2HE LYS 17 13.237 5.857 -4.393
122 HZ1 LYS 17 3HZ LYS 17 12.829 3.837 -2.945
123 HZ2 LYS 17 1HZ LYS 17 11.260 4.428 -2.720
124 HZ3 LYS 17 2HZ LYS 17 12.589 5.347 -2.221
125 H GLY 18 H GLY 18 8.149 4.299 -8.553
126 HA2 GLY 18 1HA GLY 18 7.181 4.665 -10.747
127 HA3 GLY 18 2HA GLY 18 7.898 6.269 -10.735
128 H ASP 19 H ASP 19 9.822 6.551 -11.682
129 HA ASP 19 HA ASP 19 11.749 6.110 -12.807
130 HB2 ASP 19 1HB ASP 19 11.900 3.405 -11.511
131 HB3 ASP 19 2HB ASP 19 13.210 4.501 -11.945
132 HA PRO 20 HA PRO 20 9.298 3.461 -15.743
133 HB2 PRO 20 1HB PRO 20 9.280 5.285 -17.754
134 HB3 PRO 20 2HB PRO 20 8.063 5.256 -16.472
135 HG2 PRO 20 1HG PRO 20 10.492 6.985 -16.739
136 HG3 PRO 20 2HG PRO 20 8.851 7.430 -16.233
137 HD2 PRO 20 1HD PRO 20 10.862 7.027 -14.465
138 HD3 PRO 20 2HD PRO 20 9.167 6.656 -14.086
139 H ARG 21 H ARG 21 12.361 4.914 -15.593
140 HA ARG 21 HA ARG 21 13.490 4.448 -18.071
141 HB2 ARG 21 1HB ARG 21 14.472 4.744 -15.324
142 HB3 ARG 21 2HB ARG 21 15.530 3.788 -16.353
143 HG2 ARG 21 1HG ARG 21 16.372 5.871 -16.727
144 HG3 ARG 21 2HG ARG 21 15.175 5.788 -18.021
145 HD2 ARG 21 1HD ARG 21 13.574 6.839 -16.285
146 HD3 ARG 21 2HD ARG 21 15.049 7.269 -15.420
147 HE ARG 21 HE ARG 21 15.275 8.081 -18.102
148 HH11 ARG 21 1HH1 ARG 21 13.543 8.870 -15.187
149 HH12 ARG 21 2HH1 ARG 21 13.348 10.541 -15.600
150 HH21 ARG 21 1HH2 ARG 21 15.024 10.279 -18.657
151 HH22 ARG 21 2HH2 ARG 21 14.189 11.341 -17.575
152 H GLU 22 H GLU 22 13.336 2.207 -15.307
153 HA GLU 22 HA GLU 22 14.510 0.038 -16.728
154 HB2 GLU 22 1HB GLU 22 13.516 0.547 -14.061
155 HB3 GLU 22 2HB GLU 22 12.984 -1.029 -14.631
156 HG2 GLU 22 1HG GLU 22 15.093 -1.147 -13.399
157 HG3 GLU 22 2HG GLU 22 15.265 -1.685 -15.069
158 H GLY 23 H GLY 23 11.462 1.446 -16.876
159 HA2 GLY 23 1HA GLY 23 9.847 0.789 -18.485
160 HA3 GLY 23 2HA GLY 23 10.454 -0.857 -18.383
161 H PHE 24 H PHE 24 9.844 0.936 -15.478
162 HA PHE 24 HA PHE 24 7.257 -0.390 -15.121
163 HB2 PHE 24 1HB PHE 24 9.370 -0.439 -12.967
164 HB3 PHE 24 2HB PHE 24 7.833 -1.297 -12.992
165 HD1 PHE 24 HD1 PHE 24 7.545 -2.933 -15.056
166 HD2 PHE 24 HD2 PHE 24 11.271 -1.613 -13.477
167 HE1 PHE 24 HE1 PHE 24 8.655 -4.894 -16.044
168 HE2 PHE 24 HE2 PHE 24 12.387 -3.571 -14.463
169 HZ PHE 24 HZ PHE 24 11.079 -5.215 -15.749
170 HA PRO 25 HA PRO 25 7.041 4.021 -13.848
171 HB2 PRO 25 1HB PRO 25 4.513 4.379 -14.770
172 HB3 PRO 25 2HB PRO 25 5.941 4.529 -15.801
173 HG2 PRO 25 1HG PRO 25 4.060 2.220 -15.495
174 HG3 PRO 25 2HG PRO 25 4.765 2.901 -16.973
175 HD2 PRO 25 1HD PRO 25 5.731 0.662 -15.797
176 HD3 PRO 25 2HD PRO 25 6.769 1.804 -16.673
177 H ALA 26 H ALA 26 5.230 5.113 -12.564
178 HA ALA 26 HA ALA 26 4.812 3.808 -10.168
179 HB1 ALA 26 1HB ALA 26 3.268 6.073 -11.417
180 HB2 ALA 26 2HB ALA 26 3.049 5.539 -9.750
181 HB3 ALA 26 3HB ALA 26 4.607 6.179 -10.272
182 H GLY 27 H GLY 27 3.565 2.159 -9.588
183 HA2 GLY 27 1HA GLY 27 1.294 1.288 -9.387
184 HA3 GLY 27 2HA GLY 27 1.051 1.719 -11.074
185 H THR 28 H THR 28 3.778 0.703 -11.749
186 HA THR 28 HA THR 28 3.080 -1.844 -12.629
187 HB THR 28 HB THR 28 5.900 -0.882 -12.122
188 HG1 THR 28 HG1 THR 28 4.358 -0.590 -14.499
189 HG21 THR 28 3HG2 THR 28 4.793 -3.279 -13.256
190 HG22 THR 28 1HG2 THR 28 6.482 -2.857 -12.977
191 HG23 THR 28 2HG2 THR 28 5.694 -2.392 -14.485
192 H ARG 29 H ARG 29 2.548 -3.496 -11.352
193 HA ARG 29 HA ARG 29 3.393 -3.829 -8.690
194 HB2 ARG 29 1HB ARG 29 2.295 -5.887 -10.614
195 HB3 ARG 29 2HB ARG 29 2.416 -6.087 -8.871
196 HG2 ARG 29 1HG ARG 29 0.792 -3.941 -10.218
197 HG3 ARG 29 2HG ARG 29 0.147 -5.490 -9.673
198 HD2 ARG 29 1HD ARG 29 1.120 -4.869 -7.384
199 HD3 ARG 29 2HD ARG 29 1.258 -3.235 -8.034
200 HE ARG 29 HE ARG 29 -1.153 -4.593 -7.244
201 HH11 ARG 29 1HH1 ARG 29 0.207 -2.047 -9.190
202 HH12 ARG 29 2HH1 ARG 29 -1.263 -1.133 -9.254
203 HH21 ARG 29 1HH2 ARG 29 -3.095 -3.398 -7.321
204 HH22 ARG 29 2HH2 ARG 29 -3.140 -1.902 -8.190
205 H TRP 30 H TRP 30 5.117 -4.790 -7.797
206 HA TRP 30 HA TRP 30 7.428 -5.318 -9.260
207 HB2 TRP 30 1HB TRP 30 6.542 -5.738 -6.469
208 HB3 TRP 30 2HB TRP 30 7.885 -6.744 -7.004
209 HD1 TRP 30 HD1 TRP 30 6.949 -3.031 -6.558
210 HE1 TRP 30 HE1 TRP 30 9.124 -1.677 -6.310
211 HE3 TRP 30 HE3 TRP 30 10.332 -6.756 -7.459
212 HZ2 TRP 30 HZ2 TRP 30 11.905 -2.128 -6.475
213 HZ3 TRP 30 HZ3 TRP 30 12.731 -6.212 -7.396
214 HH2 TRP 30 HH2 TRP 30 13.499 -3.945 -6.914
215 H ASP 31 H ASP 31 4.739 -7.367 -8.470
216 HA ASP 31 HA ASP 31 6.025 -9.860 -8.948
217 HB2 ASP 31 1HB ASP 31 3.622 -10.680 -9.208
218 HB3 ASP 31 2HB ASP 31 4.040 -9.945 -7.663
219 H GLN 32 H GLN 32 4.601 -7.444 -10.983
220 HA GLN 32 HA GLN 32 4.115 -9.053 -13.260
221 HB2 GLN 32 1HB GLN 32 3.234 -6.705 -12.783
222 HB3 GLN 32 2HB GLN 32 4.803 -6.120 -13.319
223 HG2 GLN 32 1HG GLN 32 3.434 -5.949 -15.195
224 HG3 GLN 32 2HG GLN 32 4.375 -7.415 -15.464
225 HE21 GLN 32 2HE2 GLN 32 1.398 -6.576 -13.717
226 HE22 GLN 32 1HE2 GLN 32 0.441 -7.843 -14.397
227 H ILE 33 H ILE 33 6.966 -7.559 -11.960
228 HA ILE 33 HA ILE 33 8.605 -7.365 -14.176
229 HB ILE 33 HB ILE 33 9.437 -8.274 -11.418
230 HG12 ILE 33 1HG1 ILE 33 9.264 -5.495 -12.604
231 HG13 ILE 33 2HG1 ILE 33 8.192 -6.155 -11.373
232 HG21 ILE 33 1HG2 ILE 33 11.636 -7.454 -11.996
233 HG22 ILE 33 2HG2 ILE 33 11.123 -8.659 -13.176
234 HG23 ILE 33 3HG2 ILE 33 11.060 -6.944 -13.582
235 HD11 ILE 33 3HD1 ILE 33 9.558 -5.373 -9.828
236 HD12 ILE 33 1HD1 ILE 33 10.811 -6.471 -10.408
237 HD13 ILE 33 2HD1 ILE 33 10.698 -4.837 -11.062
238 HA PRO 34 HA PRO 34 9.013 -11.544 -15.568
239 HB2 PRO 34 1HB PRO 34 11.110 -11.147 -17.246
240 HB3 PRO 34 2HB PRO 34 9.461 -10.640 -17.632
241 HG2 PRO 34 1HG PRO 34 11.743 -9.018 -16.571
242 HG3 PRO 34 2HG PRO 34 10.570 -8.605 -17.835
243 HD2 PRO 34 1HD PRO 34 10.362 -7.683 -15.298
244 HD3 PRO 34 2HD PRO 34 8.943 -8.021 -16.310
245 H ASP 35 H ASP 35 9.956 -13.204 -14.575
246 HA ASP 35 HA ASP 35 12.256 -12.817 -12.898
247 HB2 ASP 35 1HB ASP 35 11.001 -15.469 -13.595
248 HB3 ASP 35 2HB ASP 35 11.891 -15.035 -12.138
249 H ASP 36 H ASP 36 11.764 -13.664 -16.148
250 HA ASP 36 HA ASP 36 14.116 -15.290 -16.458
251 HB2 ASP 36 1HB ASP 36 12.128 -14.069 -18.352
252 HB3 ASP 36 2HB ASP 36 13.619 -14.785 -18.959
253 H TRP 37 H TRP 37 13.413 -11.931 -16.414
254 HA TRP 37 HA TRP 37 15.328 -10.835 -18.071
255 HB2 TRP 37 1HB TRP 37 13.540 -9.833 -16.269
256 HB3 TRP 37 2HB TRP 37 15.068 -9.487 -15.464
257 HD1 TRP 37 HD1 TRP 37 16.289 -7.353 -16.216
258 HE1 TRP 37 HE1 TRP 37 16.032 -5.687 -18.160
259 HE3 TRP 37 HE3 TRP 37 12.740 -9.826 -18.941
260 HZ2 TRP 37 HZ2 TRP 37 14.523 -5.451 -20.535
261 HZ3 TRP 37 HZ3 TRP 37 11.943 -8.812 -21.036
262 HH2 TRP 37 HH2 TRP 37 12.817 -6.669 -21.814
263 H CYS 38 H CYS 38 17.489 -10.516 -18.000
264 HA CYS 38 HA CYS 38 18.946 -11.864 -15.849
265 HB2 CYS 38 1HB CYS 38 19.591 -11.134 -18.680
266 HB3 CYS 38 2HB CYS 38 20.906 -11.372 -17.535
267 HG CYS 38 HG CYS 38 21.021 -13.849 -18.243
268 H CYS 39 H CYS 39 21.132 -10.823 -15.318
269 HA CYS 39 HA CYS 39 21.318 -7.973 -15.495
270 HB2 CYS 39 1HB CYS 39 20.009 -9.194 -13.178
271 HB3 CYS 39 2HB CYS 39 21.357 -8.151 -12.743
272 HG CYS 39 HG CYS 39 20.221 -6.031 -14.428
273 HA PRO 40 HA PRO 40 25.557 -8.774 -14.712
274 HB2 PRO 40 1HB PRO 40 26.342 -6.553 -13.363
275 HB3 PRO 40 2HB PRO 40 25.954 -6.542 -15.087
276 HG2 PRO 40 1HG PRO 40 24.262 -5.715 -12.760
277 HG3 PRO 40 2HG PRO 40 24.475 -4.916 -14.329
278 HD2 PRO 40 1HD PRO 40 22.319 -6.451 -13.755
279 HD3 PRO 40 2HD PRO 40 22.998 -6.332 -15.391
280 H ASP 41 H ASP 41 24.016 -7.382 -11.808
281 HA ASP 41 HA ASP 41 25.808 -8.807 -10.055
282 HB2 ASP 41 1HB ASP 41 23.869 -6.653 -9.818
283 HB3 ASP 41 2HB ASP 41 23.717 -7.816 -8.504
284 H CYS 42 H CYS 42 22.315 -8.895 -10.736
285 HA CYS 42 HA CYS 42 21.657 -11.006 -9.040
286 HB2 CYS 42 1HB CYS 42 20.075 -9.473 -10.305
287 HB3 CYS 42 2HB CYS 42 20.351 -10.492 -11.712
288 HG CYS 42 HG CYS 42 19.117 -11.704 -8.762
289 H SER 43 H SER 43 23.333 -11.002 -12.048
290 HA SER 43 HA SER 43 22.831 -13.497 -13.094
291 HB2 SER 43 1HB SER 43 24.252 -12.318 -14.455
292 HB3 SER 43 2HB SER 43 25.187 -11.677 -13.104
293 HG SER 43 HG SER 43 25.788 -13.722 -14.657
294 H VAL 44 H VAL 44 24.702 -12.646 -10.273
295 HA VAL 44 HA VAL 44 25.340 -15.495 -9.862
296 HB VAL 44 HB VAL 44 27.343 -14.103 -10.026
297 HG11 VAL 44 1HG1 VAL 44 27.286 -12.013 -9.276
298 HG12 VAL 44 2HG1 VAL 44 25.787 -12.318 -8.395
299 HG13 VAL 44 3HG1 VAL 44 27.343 -12.651 -7.633
300 HG21 VAL 44 3HG2 VAL 44 27.107 -16.067 -8.399
301 HG22 VAL 44 1HG2 VAL 44 28.459 -14.961 -8.155
302 HG23 VAL 44 2HG2 VAL 44 27.027 -14.842 -7.133
303 H ARG 45 H ARG 45 23.615 -12.787 -8.680
304 HA ARG 45 HA ARG 45 23.191 -14.076 -6.074
305 HB2 ARG 45 1HB ARG 45 22.490 -11.271 -6.963
306 HB3 ARG 45 2HB ARG 45 22.285 -11.921 -5.342
307 HG2 ARG 45 1HG ARG 45 24.912 -11.557 -6.769
308 HG3 ARG 45 2HG ARG 45 24.263 -10.506 -5.509
309 HD2 ARG 45 1HD ARG 45 24.133 -12.755 -4.155
310 HD3 ARG 45 2HD ARG 45 25.368 -13.266 -5.304
311 HE ARG 45 HE ARG 45 26.066 -10.764 -4.214
312 HH11 ARG 45 1HH1 ARG 45 25.831 -14.127 -3.344
313 HH12 ARG 45 2HH1 ARG 45 27.072 -14.036 -2.138
314 HH21 ARG 45 1HH2 ARG 45 27.700 -10.632 -2.629
315 HH22 ARG 45 2HH2 ARG 45 28.134 -12.047 -1.731
316 H GLU 46 H GLU 46 21.345 -15.102 -5.680
317 HA GLU 46 HA GLU 46 19.393 -15.608 -7.565
318 HB2 GLU 46 1HB GLU 46 19.893 -16.643 -5.178
319 HB3 GLU 46 2HB GLU 46 18.602 -15.556 -4.689
320 HG2 GLU 46 1HG GLU 46 17.543 -17.587 -5.118
321 HG3 GLU 46 2HG GLU 46 17.224 -16.605 -6.547
322 H LYS 47 H LYS 47 17.182 -14.940 -7.735
323 HA LYS 47 HA LYS 47 16.886 -12.082 -7.461
324 HB2 LYS 47 1HB LYS 47 16.113 -13.533 -9.439
325 HB3 LYS 47 2HB LYS 47 14.759 -13.988 -8.414
326 HG2 LYS 47 1HG LYS 47 13.923 -11.792 -8.361
327 HG3 LYS 47 2HG LYS 47 15.424 -11.121 -9.004
328 HD2 LYS 47 1HD LYS 47 15.014 -12.064 -11.154
329 HD3 LYS 47 2HD LYS 47 13.668 -13.028 -10.542
330 HE2 LYS 47 1HE LYS 47 12.552 -11.286 -11.547
331 HE3 LYS 47 2HE LYS 47 12.679 -10.699 -9.890
332 HZ1 LYS 47 3HZ LYS 47 14.107 -9.803 -12.291
333 HZ2 LYS 47 1HZ LYS 47 14.876 -9.661 -10.791
334 HZ3 LYS 47 2HZ LYS 47 13.396 -8.889 -11.058
335 H VAL 48 H VAL 48 16.058 -14.842 -5.642
336 HA VAL 48 HA VAL 48 13.722 -13.804 -4.362
337 HB VAL 48 HB VAL 48 14.270 -16.240 -4.505
338 HG11 VAL 48 1HG1 VAL 48 16.730 -15.641 -3.723
339 HG12 VAL 48 2HG1 VAL 48 16.041 -15.981 -2.135
340 HG13 VAL 48 3HG1 VAL 48 16.006 -17.215 -3.395
341 HG21 VAL 48 3HG2 VAL 48 12.965 -14.841 -2.530
342 HG22 VAL 48 1HG2 VAL 48 12.901 -16.587 -2.772
343 HG23 VAL 48 2HG2 VAL 48 14.043 -15.898 -1.619
344 H ASP 49 H ASP 49 16.935 -12.961 -4.160
345 HA ASP 49 HA ASP 49 17.317 -12.554 -1.403
346 HB2 ASP 49 1HB ASP 49 18.988 -12.399 -3.418
347 HB3 ASP 49 2HB ASP 49 18.513 -10.703 -3.433
348 H PHE 50 H PHE 50 15.501 -10.807 -3.771
349 HA PHE 50 HA PHE 50 15.397 -8.255 -2.730
350 HB2 PHE 50 1HB PHE 50 13.543 -9.937 -4.327
351 HB3 PHE 50 2HB PHE 50 12.856 -8.504 -3.569
352 HD1 PHE 50 HD2 PHE 50 14.100 -6.277 -3.976
353 HD2 PHE 50 HD1 PHE 50 14.624 -9.764 -6.361
354 HE1 PHE 50 HE2 PHE 50 14.976 -4.888 -5.808
355 HE2 PHE 50 HE1 PHE 50 15.502 -8.380 -8.196
356 HZ PHE 50 HZ PHE 50 15.678 -5.939 -7.922
357 H GLU 51 H GLU 51 14.409 -7.267 -1.052
358 HA GLU 51 HA GLU 51 12.605 -8.863 0.632
359 HB2 GLU 51 1HB GLU 51 14.989 -7.250 1.538
360 HB3 GLU 51 2HB GLU 51 13.715 -7.772 2.630
361 HG2 GLU 51 1HG GLU 51 15.080 -9.798 0.931
362 HG3 GLU 51 2HG GLU 51 15.906 -9.167 2.355
363 H ARG 52 H ARG 52 10.904 -7.779 1.509
364 HA ARG 52 HA ARG 52 10.088 -5.358 0.333
365 HB2 ARG 52 1HB ARG 52 8.244 -5.414 1.980
366 HB3 ARG 52 2HB ARG 52 8.468 -6.957 1.166
367 HG2 ARG 52 1HG ARG 52 9.830 -7.665 3.180
368 HG3 ARG 52 2HG ARG 52 9.214 -6.216 3.977
369 HD2 ARG 52 1HD ARG 52 6.927 -6.985 3.627
370 HD3 ARG 52 2HD ARG 52 7.527 -8.418 2.793
371 HE ARG 52 HE ARG 52 7.398 -7.994 5.623
372 HH11 ARG 52 1HH1 ARG 52 9.079 -9.672 3.078
373 HH12 ARG 52 2HH1 ARG 52 9.615 -10.961 4.104
374 HH21 ARG 52 1HH2 ARG 52 8.097 -9.686 6.984
375 HH22 ARG 52 2HH2 ARG 52 9.055 -10.968 6.325
376 H MET 53 H MET 53 10.066 -3.263 1.053
377 HA MET 53 HA MET 53 11.802 -2.695 3.357
378 HB2 MET 53 1HB MET 53 12.101 -0.460 2.341
379 HB3 MET 53 2HB MET 53 12.626 -1.760 1.279
380 HG2 MET 53 1HG MET 53 10.947 -1.406 -0.220
381 HG3 MET 53 2HG MET 53 9.848 -0.758 0.995
382 HE1 MET 53 3HE MET 53 12.838 1.334 -1.634
383 HE2 MET 53 1HE MET 53 12.478 -0.385 -1.472
384 HE3 MET 53 2HE MET 53 11.307 0.693 -2.231
385 H GLY 54 H GLY 54 9.345 -3.413 4.139
386 HA2 GLY 54 1HA GLY 54 8.429 -1.543 5.842
387 HA3 GLY 54 2HA GLY 54 7.612 -1.099 4.351
388 H GLY 55 H GLY 55 5.796 -2.157 3.778
389 HA2 GLY 55 1HA GLY 55 4.234 -3.890 3.711
390 HA3 GLY 55 2HA GLY 55 5.211 -4.784 4.865
391 H LYS 56 H LYS 56 3.752 -5.295 6.401
392 HA LYS 56 HA LYS 56 2.162 -3.106 7.561
393 HB2 LYS 56 1HB LYS 56 0.918 -5.068 6.634
394 HB3 LYS 56 2HB LYS 56 1.708 -6.082 7.834
395 HG2 LYS 56 1HG LYS 56 -0.454 -5.567 8.654
396 HG3 LYS 56 2HG LYS 56 0.700 -4.627 9.602
397 HD2 LYS 56 1HD LYS 56 0.186 -2.636 8.387
398 HD3 LYS 56 2HD LYS 56 -0.775 -3.535 7.211
399 HE2 LYS 56 1HE LYS 56 -1.455 -3.439 10.139
400 HE3 LYS 56 2HE LYS 56 -2.059 -2.253 8.983
401 HZ1 LYS 56 3HZ LYS 56 -2.531 -5.184 8.909
402 HZ2 LYS 56 1HZ LYS 56 -3.037 -4.098 7.715
403 HZ3 LYS 56 2HZ LYS 56 -3.670 -3.989 9.280
Start of MODEL 3
1 H1 MET 1 H MET 1 1.541 -0.692 1.613
2 HA MET 1 HA MET 1 1.428 -2.305 -0.725
3 HB2 MET 1 1HB MET 1 2.836 0.276 -0.067
4 HB3 MET 1 2HB MET 1 2.992 -0.497 -1.638
5 HG2 MET 1 1HG MET 1 1.283 0.918 -2.091
6 HG3 MET 1 2HG MET 1 0.358 -0.470 -1.521
7 HE1 MET 1 3HE MET 1 -1.588 1.913 -1.244
8 HE2 MET 1 1HE MET 1 -0.944 3.295 -0.357
9 HE3 MET 1 2HE MET 1 -0.131 2.728 -1.816
10 H THR 2 H THR 2 3.293 -2.994 -1.997
11 HA THR 2 HA THR 2 5.292 -4.243 -0.284
12 HB THR 2 HB THR 2 4.697 -4.634 -3.223
13 HG1 THR 2 HG1 THR 2 4.233 -6.360 -1.002
14 HG21 THR 2 3HG2 THR 2 6.938 -5.230 -3.056
15 HG22 THR 2 1HG2 THR 2 6.113 -6.759 -2.751
16 HG23 THR 2 2HG2 THR 2 6.761 -5.823 -1.404
17 H ALA 3 H ALA 3 7.496 -3.960 -0.490
18 HA ALA 3 HA ALA 3 8.538 -2.126 -2.486
19 HB1 ALA 3 1HB ALA 3 9.500 -1.349 0.148
20 HB2 ALA 3 2HB ALA 3 8.917 -0.352 -1.186
21 HB3 ALA 3 3HB ALA 3 7.769 -1.078 -0.060
22 H TYR 4 H TYR 4 10.265 -3.125 -3.266
23 HA TYR 4 HA TYR 4 11.902 -4.753 -1.438
24 HB2 TYR 4 1HB TYR 4 11.291 -5.022 -4.370
25 HB3 TYR 4 2HB TYR 4 12.706 -5.795 -3.664
26 HD1 TYR 4 HD1 TYR 4 12.411 -7.543 -1.918
27 HD2 TYR 4 HD2 TYR 4 9.106 -5.909 -4.041
28 HE1 TYR 4 HE1 TYR 4 11.024 -9.447 -1.211
29 HE2 TYR 4 HE2 TYR 4 7.709 -7.808 -3.339
30 HH TYR 4 HH TYR 4 8.755 -10.588 -2.337
31 H ARG 5 H ARG 5 13.962 -4.204 -1.103
32 HA ARG 5 HA ARG 5 15.283 -2.394 -2.997
33 HB2 ARG 5 1HB ARG 5 14.291 -1.204 -0.943
34 HB3 ARG 5 2HB ARG 5 15.553 -2.013 -0.025
35 HG2 ARG 5 1HG ARG 5 16.267 -0.412 -2.440
36 HG3 ARG 5 2HG ARG 5 15.934 0.395 -0.906
37 HD2 ARG 5 1HD ARG 5 17.641 -1.038 0.169
38 HD3 ARG 5 2HD ARG 5 18.011 -1.733 -1.409
39 HE ARG 5 HE ARG 5 19.203 0.153 -1.920
40 HH11 ARG 5 1HH1 ARG 5 17.187 0.792 0.846
41 HH12 ARG 5 2HH1 ARG 5 17.893 2.341 1.166
42 HH21 ARG 5 1HH2 ARG 5 20.140 2.192 -1.508
43 HH22 ARG 5 2HH2 ARG 5 19.572 3.137 -0.174
44 H CYS 6 H CYS 6 16.786 -3.775 -3.763
45 HA CYS 6 HA CYS 6 18.875 -4.625 -1.953
46 HB2 CYS 6 1HB CYS 6 16.940 -6.443 -2.253
47 HB3 CYS 6 2HB CYS 6 17.863 -6.806 -3.706
48 HG CYS 6 HG CYS 6 18.766 -7.198 -0.459
49 HA PRO 7 HA PRO 7 20.456 -3.219 -6.020
50 HB2 PRO 7 1HB PRO 7 22.658 -2.018 -4.980
51 HB3 PRO 7 2HB PRO 7 21.081 -1.223 -5.068
52 HG2 PRO 7 1HG PRO 7 22.386 -2.590 -2.746
53 HG3 PRO 7 2HG PRO 7 21.490 -1.060 -2.784
54 HD2 PRO 7 1HD PRO 7 20.382 -3.376 -1.925
55 HD3 PRO 7 2HD PRO 7 19.441 -2.114 -2.746
56 H VAL 8 H VAL 8 21.630 -5.251 -3.521
57 HA VAL 8 HA VAL 8 24.169 -5.943 -4.436
58 HB VAL 8 HB VAL 8 22.149 -7.728 -3.071
59 HG11 VAL 8 1HG1 VAL 8 24.984 -8.095 -3.844
60 HG12 VAL 8 2HG1 VAL 8 24.500 -8.682 -2.252
61 HG13 VAL 8 3HG1 VAL 8 23.685 -9.278 -3.698
62 HG21 VAL 8 3HG2 VAL 8 23.621 -7.122 -1.056
63 HG22 VAL 8 1HG2 VAL 8 24.183 -5.776 -2.047
64 HG23 VAL 8 2HG2 VAL 8 22.474 -5.913 -1.634
65 H CYS 9 H CYS 9 21.057 -6.700 -5.715
66 HA CYS 9 HA CYS 9 22.284 -8.608 -7.595
67 HB2 CYS 9 1HB CYS 9 19.322 -8.454 -7.176
68 HB3 CYS 9 2HB CYS 9 20.303 -9.818 -7.698
69 HG CYS 9 HG CYS 9 19.176 -10.383 -5.190
70 H ASP 10 H ASP 10 19.660 -6.203 -7.384
71 HA ASP 10 HA ASP 10 20.497 -5.056 -9.912
72 HB2 ASP 10 1HB ASP 10 18.311 -5.277 -10.978
73 HB3 ASP 10 2HB ASP 10 18.973 -6.866 -10.603
74 H TYR 11 H TYR 11 19.297 -3.057 -10.420
75 HA TYR 11 HA TYR 11 19.272 -1.236 -8.395
76 HB2 TYR 11 1HB TYR 11 17.676 -1.300 -10.951
77 HB3 TYR 11 2HB TYR 11 17.641 0.083 -9.862
78 HD1 TYR 11 HD2 TYR 11 20.147 0.827 -9.113
79 HD2 TYR 11 HD1 TYR 11 19.105 -1.131 -12.744
80 HE1 TYR 11 HE2 TYR 11 22.183 1.714 -10.169
81 HE2 TYR 11 HE1 TYR 11 21.139 -0.251 -13.810
82 HH TYR 11 HH TYR 11 22.951 2.233 -12.542
83 H THR 12 H THR 12 17.562 -0.120 -7.266
84 HA THR 12 HA THR 12 15.364 -1.936 -6.539
85 HB THR 12 HB THR 12 15.303 -0.960 -4.385
86 HG1 THR 12 HG1 THR 12 16.961 1.065 -5.502
87 HG21 THR 12 3HG2 THR 12 17.282 -1.714 -3.545
88 HG22 THR 12 1HG2 THR 12 18.247 -0.827 -4.725
89 HG23 THR 12 2HG2 THR 12 17.451 -2.330 -5.189
90 H TYR 13 H TYR 13 13.320 -1.358 -6.921
91 HA TYR 13 HA TYR 13 12.605 1.449 -7.195
92 HB2 TYR 13 1HB TYR 13 11.340 0.829 -9.358
93 HB3 TYR 13 2HB TYR 13 13.077 1.095 -9.461
94 HD1 TYR 13 HD2 TYR 13 14.611 -0.837 -9.695
95 HD2 TYR 13 HD1 TYR 13 10.385 -1.312 -9.817
96 HE1 TYR 13 HE2 TYR 13 14.897 -3.060 -10.707
97 HE2 TYR 13 HE1 TYR 13 10.659 -3.538 -10.828
98 HH TYR 13 HH TYR 13 13.364 -5.268 -10.759
99 H ASP 14 H ASP 14 11.052 1.554 -5.703
100 HA ASP 14 HA ASP 14 9.343 -0.621 -5.035
101 HB2 ASP 14 1HB ASP 14 9.854 0.989 -3.333
102 HB3 ASP 14 2HB ASP 14 9.259 2.315 -4.329
103 H GLU 15 H GLU 15 7.417 -1.192 -5.831
104 HA GLU 15 HA GLU 15 6.457 -0.193 -8.253
105 HB2 GLU 15 1HB GLU 15 4.395 -1.499 -7.741
106 HB3 GLU 15 2HB GLU 15 5.882 -2.418 -7.554
107 HG2 GLU 15 1HG GLU 15 4.658 -3.030 -5.697
108 HG3 GLU 15 2HG GLU 15 5.715 -1.766 -5.070
109 H GLY 16 H GLY 16 5.824 0.787 -4.973
110 HA2 GLY 16 1HA GLY 16 3.534 2.414 -5.724
111 HA3 GLY 16 2HA GLY 16 4.217 2.253 -4.113
112 H LYS 17 H LYS 17 6.615 2.840 -6.393
113 HA LYS 17 HA LYS 17 6.659 5.690 -5.653
114 HB2 LYS 17 1HB LYS 17 8.556 4.076 -4.949
115 HB3 LYS 17 2HB LYS 17 9.046 4.149 -6.637
116 HG2 LYS 17 1HG LYS 17 10.337 5.817 -5.803
117 HG3 LYS 17 2HG LYS 17 8.892 6.751 -6.196
118 HD2 LYS 17 1HD LYS 17 8.248 5.995 -3.713
119 HD3 LYS 17 2HD LYS 17 10.006 5.983 -3.560
120 HE2 LYS 17 1HE LYS 17 10.051 8.297 -4.443
121 HE3 LYS 17 2HE LYS 17 8.288 8.293 -4.460
122 HZ1 LYS 17 3HZ LYS 17 10.024 8.010 -2.068
123 HZ2 LYS 17 1HZ LYS 17 8.336 7.898 -2.053
124 HZ3 LYS 17 2HZ LYS 17 9.082 9.356 -2.473
125 H GLY 18 H GLY 18 7.367 3.436 -8.309
126 HA2 GLY 18 1HA GLY 18 6.687 3.808 -10.549
127 HA3 GLY 18 2HA GLY 18 6.563 5.526 -10.198
128 H ASP 19 H ASP 19 8.609 2.962 -11.256
129 HA ASP 19 HA ASP 19 10.825 4.872 -11.606
130 HB2 ASP 19 1HB ASP 19 10.745 2.017 -10.853
131 HB3 ASP 19 2HB ASP 19 11.995 2.455 -12.014
132 HA PRO 20 HA PRO 20 9.149 3.932 -15.828
133 HB2 PRO 20 1HB PRO 20 9.288 6.498 -16.705
134 HB3 PRO 20 2HB PRO 20 7.894 5.857 -15.828
135 HG2 PRO 20 1HG PRO 20 10.178 7.503 -14.810
136 HG3 PRO 20 2HG PRO 20 8.447 7.650 -14.455
137 HD2 PRO 20 1HD PRO 20 10.185 6.448 -12.762
138 HD3 PRO 20 2HD PRO 20 8.490 5.939 -12.910
139 H ARG 21 H ARG 21 12.018 5.115 -14.466
140 HA ARG 21 HA ARG 21 13.480 5.729 -16.817
141 HB2 ARG 21 1HB ARG 21 14.149 5.195 -13.963
142 HB3 ARG 21 2HB ARG 21 15.448 5.086 -15.144
143 HG2 ARG 21 1HG ARG 21 15.534 7.280 -14.347
144 HG3 ARG 21 2HG ARG 21 14.731 7.401 -15.913
145 HD2 ARG 21 1HD ARG 21 12.638 7.753 -14.946
146 HD3 ARG 21 2HD ARG 21 13.148 7.109 -13.386
147 HE ARG 21 HE ARG 21 13.408 9.804 -14.303
148 HH11 ARG 21 1HH1 ARG 21 14.817 7.376 -12.244
149 HH12 ARG 21 2HH1 ARG 21 15.554 8.524 -11.175
150 HH21 ARG 21 1HH2 ARG 21 14.373 11.325 -12.903
151 HH22 ARG 21 2HH2 ARG 21 15.299 10.770 -11.551
152 H GLU 22 H GLU 22 12.615 2.771 -15.258
153 HA GLU 22 HA GLU 22 14.511 1.273 -16.930
154 HB2 GLU 22 1HB GLU 22 12.931 0.424 -14.497
155 HB3 GLU 22 2HB GLU 22 13.949 -0.653 -15.444
156 HG2 GLU 22 1HG GLU 22 14.992 1.839 -14.134
157 HG3 GLU 22 2HG GLU 22 14.957 0.271 -13.329
158 H GLY 23 H GLY 23 11.919 2.511 -17.776
159 HA2 GLY 23 1HA GLY 23 10.341 1.934 -19.357
160 HA3 GLY 23 2HA GLY 23 10.993 0.302 -19.347
161 H PHE 24 H PHE 24 10.039 1.681 -16.334
162 HA PHE 24 HA PHE 24 7.441 0.329 -16.442
163 HB2 PHE 24 1HB PHE 24 9.373 -0.029 -14.145
164 HB3 PHE 24 2HB PHE 24 7.809 -0.810 -14.350
165 HD1 PHE 24 HD1 PHE 24 7.609 -2.126 -16.680
166 HD2 PHE 24 HD2 PHE 24 11.227 -1.286 -14.602
167 HE1 PHE 24 HE1 PHE 24 8.700 -4.012 -17.824
168 HE2 PHE 24 HE2 PHE 24 12.324 -3.169 -15.743
169 HZ PHE 24 HZ PHE 24 11.060 -4.535 -17.357
170 HA PRO 25 HA PRO 25 7.028 4.526 -14.615
171 HB2 PRO 25 1HB PRO 25 4.606 5.004 -15.743
172 HB3 PRO 25 2HB PRO 25 6.132 5.293 -16.586
173 HG2 PRO 25 1HG PRO 25 4.263 2.964 -16.795
174 HG3 PRO 25 2HG PRO 25 5.109 3.839 -18.085
175 HD2 PRO 25 1HD PRO 25 5.978 1.461 -17.126
176 HD3 PRO 25 2HD PRO 25 7.086 2.711 -17.726
177 H ALA 26 H ALA 26 4.894 5.432 -13.548
178 HA ALA 26 HA ALA 26 4.325 3.933 -11.305
179 HB1 ALA 26 1HB ALA 26 3.633 6.024 -10.882
180 HB2 ALA 26 2HB ALA 26 3.200 6.329 -12.565
181 HB3 ALA 26 3HB ALA 26 2.084 5.460 -11.510
182 H GLY 27 H GLY 27 2.985 2.301 -10.814
183 HA2 GLY 27 1HA GLY 27 0.787 1.262 -11.080
184 HA3 GLY 27 2HA GLY 27 0.933 1.562 -12.806
185 H THR 28 H THR 28 3.616 0.709 -13.124
186 HA THR 28 HA THR 28 3.204 -2.074 -13.457
187 HB THR 28 HB THR 28 5.767 -0.478 -13.635
188 HG1 THR 28 HG1 THR 28 4.248 -1.466 -15.807
189 HG21 THR 28 3HG2 THR 28 6.552 -2.643 -13.474
190 HG22 THR 28 1HG2 THR 28 6.300 -2.500 -15.213
191 HG23 THR 28 2HG2 THR 28 5.109 -3.335 -14.216
192 H ARG 29 H ARG 29 3.096 -3.429 -11.783
193 HA ARG 29 HA ARG 29 4.627 -2.964 -9.371
194 HB2 ARG 29 1HB ARG 29 2.291 -4.491 -10.119
195 HB3 ARG 29 2HB ARG 29 3.425 -5.497 -9.228
196 HG2 ARG 29 1HG ARG 29 3.104 -4.385 -7.295
197 HG3 ARG 29 2HG ARG 29 2.908 -2.826 -8.098
198 HD2 ARG 29 1HD ARG 29 0.718 -4.383 -8.894
199 HD3 ARG 29 2HD ARG 29 0.906 -4.667 -7.164
200 HE ARG 29 HE ARG 29 1.041 -1.893 -7.823
201 HH11 ARG 29 1HH1 ARG 29 -1.143 -4.548 -7.274
202 HH12 ARG 29 2HH1 ARG 29 -2.461 -3.533 -6.788
203 HH21 ARG 29 1HH2 ARG 29 -0.686 -0.547 -7.184
204 HH22 ARG 29 2HH2 ARG 29 -2.200 -1.258 -6.738
205 H TRP 30 H TRP 30 6.124 -4.450 -8.473
206 HA TRP 30 HA TRP 30 8.111 -5.352 -10.160
207 HB2 TRP 30 1HB TRP 30 8.875 -6.742 -8.207
208 HB3 TRP 30 2HB TRP 30 8.578 -5.048 -7.829
209 HD1 TRP 30 HD1 TRP 30 6.461 -4.488 -6.275
210 HE1 TRP 30 HE1 TRP 30 5.111 -5.944 -4.637
211 HE3 TRP 30 HE3 TRP 30 8.008 -9.106 -7.830
212 HZ2 TRP 30 HZ2 TRP 30 4.750 -8.687 -4.078
213 HZ3 TRP 30 HZ3 TRP 30 7.113 -11.095 -6.691
214 HH2 TRP 30 HH2 TRP 30 5.519 -10.888 -4.854
215 H ASP 31 H ASP 31 5.192 -6.967 -9.141
216 HA ASP 31 HA ASP 31 5.867 -9.607 -9.799
217 HB2 ASP 31 1HB ASP 31 3.870 -9.084 -8.510
218 HB3 ASP 31 2HB ASP 31 3.179 -8.224 -9.883
219 H GLN 32 H GLN 32 4.655 -6.950 -11.765
220 HA GLN 32 HA GLN 32 4.090 -8.431 -14.092
221 HB2 GLN 32 1HB GLN 32 4.967 -5.545 -13.916
222 HB3 GLN 32 2HB GLN 32 4.111 -6.298 -15.254
223 HG2 GLN 32 1HG GLN 32 3.094 -5.631 -12.518
224 HG3 GLN 32 2HG GLN 32 2.480 -5.110 -14.086
225 HE21 GLN 32 2HE2 GLN 32 2.493 -7.593 -11.697
226 HE22 GLN 32 1HE2 GLN 32 1.265 -8.580 -12.405
227 H ILE 33 H ILE 33 7.056 -7.268 -12.730
228 HA ILE 33 HA ILE 33 8.728 -7.108 -14.917
229 HB ILE 33 HB ILE 33 9.436 -8.279 -12.225
230 HG12 ILE 33 1HG1 ILE 33 8.431 -6.064 -12.002
231 HG13 ILE 33 2HG1 ILE 33 10.157 -5.984 -11.668
232 HG21 ILE 33 1HG2 ILE 33 11.207 -6.978 -14.288
233 HG22 ILE 33 2HG2 ILE 33 11.712 -7.652 -12.739
234 HG23 ILE 33 3HG2 ILE 33 11.091 -8.714 -14.003
235 HD11 ILE 33 3HD1 ILE 33 8.614 -4.551 -13.598
236 HD12 ILE 33 1HD1 ILE 33 10.301 -4.338 -13.133
237 HD13 ILE 33 2HD1 ILE 33 9.875 -5.481 -14.407
238 HA PRO 34 HA PRO 34 8.727 -11.203 -16.589
239 HB2 PRO 34 1HB PRO 34 10.872 -10.909 -18.228
240 HB3 PRO 34 2HB PRO 34 9.287 -10.212 -18.585
241 HG2 PRO 34 1HG PRO 34 11.709 -8.906 -17.407
242 HG3 PRO 34 2HG PRO 34 10.598 -8.292 -18.645
243 HD2 PRO 34 1HD PRO 34 10.456 -7.527 -16.051
244 HD3 PRO 34 2HD PRO 34 9.022 -7.649 -17.090
245 H ASP 35 H ASP 35 9.500 -13.026 -15.742
246 HA ASP 35 HA ASP 35 11.681 -13.039 -13.921
247 HB2 ASP 35 1HB ASP 35 10.319 -15.410 -15.214
248 HB3 ASP 35 2HB ASP 35 11.283 -15.427 -13.740
249 H ASP 36 H ASP 36 11.521 -13.232 -17.294
250 HA ASP 36 HA ASP 36 13.849 -14.875 -17.686
251 HB2 ASP 36 1HB ASP 36 12.635 -13.002 -19.714
252 HB3 ASP 36 2HB ASP 36 13.561 -14.472 -20.007
253 H TRP 37 H TRP 37 13.266 -11.599 -16.942
254 HA TRP 37 HA TRP 37 15.320 -10.234 -18.176
255 HB2 TRP 37 1HB TRP 37 13.451 -9.580 -16.324
256 HB3 TRP 37 2HB TRP 37 14.903 -9.562 -15.327
257 HD1 TRP 37 HD1 TRP 37 16.248 -7.379 -15.357
258 HE1 TRP 37 HE1 TRP 37 16.294 -5.270 -16.832
259 HE3 TRP 37 HE3 TRP 37 12.999 -8.873 -19.010
260 HZ2 TRP 37 HZ2 TRP 37 15.108 -4.360 -19.227
261 HZ3 TRP 37 HZ3 TRP 37 12.508 -7.324 -20.858
262 HH2 TRP 37 HH2 TRP 37 13.542 -5.114 -20.962
263 H CYS 38 H CYS 38 17.479 -10.145 -17.985
264 HA CYS 38 HA CYS 38 18.721 -11.722 -15.828
265 HB2 CYS 38 1HB CYS 38 20.632 -12.040 -17.438
266 HB3 CYS 38 2HB CYS 38 19.133 -12.836 -17.904
267 HG CYS 38 HG CYS 38 20.414 -9.961 -19.243
268 H CYS 39 H CYS 39 20.000 -10.654 -14.472
269 HA CYS 39 HA CYS 39 20.925 -7.972 -15.258
270 HB2 CYS 39 1HB CYS 39 19.708 -9.020 -12.814
271 HB3 CYS 39 2HB CYS 39 21.175 -8.098 -12.510
272 HG CYS 39 HG CYS 39 20.087 -5.787 -12.698
273 HA PRO 40 HA PRO 40 25.136 -9.099 -14.787
274 HB2 PRO 40 1HB PRO 40 26.203 -6.926 -13.557
275 HB3 PRO 40 2HB PRO 40 25.680 -6.914 -15.246
276 HG2 PRO 40 1HG PRO 40 24.252 -5.911 -12.813
277 HG3 PRO 40 2HG PRO 40 24.401 -5.160 -14.413
278 HD2 PRO 40 1HD PRO 40 22.182 -6.502 -13.635
279 HD3 PRO 40 2HD PRO 40 22.735 -6.468 -15.321
280 H ASP 41 H ASP 41 23.954 -7.532 -11.805
281 HA ASP 41 HA ASP 41 25.765 -9.051 -10.160
282 HB2 ASP 41 1HB ASP 41 23.886 -6.824 -9.791
283 HB3 ASP 41 2HB ASP 41 23.964 -7.930 -8.422
284 H CYS 42 H CYS 42 22.221 -8.891 -10.497
285 HA CYS 42 HA CYS 42 21.579 -10.949 -8.743
286 HB2 CYS 42 1HB CYS 42 19.908 -9.424 -9.689
287 HB3 CYS 42 2HB CYS 42 20.143 -10.139 -11.279
288 HG CYS 42 HG CYS 42 18.824 -12.409 -10.865
289 H SER 43 H SER 43 22.981 -11.082 -11.884
290 HA SER 43 HA SER 43 22.217 -13.540 -12.854
291 HB2 SER 43 1HB SER 43 23.614 -12.630 -14.386
292 HB3 SER 43 2HB SER 43 24.573 -11.802 -13.159
293 HG SER 43 HG SER 43 25.412 -13.771 -14.481
294 H VAL 44 H VAL 44 24.452 -12.808 -10.257
295 HA VAL 44 HA VAL 44 24.844 -15.698 -9.827
296 HB VAL 44 HB VAL 44 26.875 -15.068 -8.531
297 HG11 VAL 44 1HG1 VAL 44 27.064 -15.810 -10.840
298 HG12 VAL 44 2HG1 VAL 44 26.824 -14.156 -11.407
299 HG13 VAL 44 3HG1 VAL 44 28.270 -14.573 -10.487
300 HG21 VAL 44 3HG2 VAL 44 26.370 -12.325 -9.685
301 HG22 VAL 44 1HG2 VAL 44 26.229 -12.772 -7.985
302 HG23 VAL 44 2HG2 VAL 44 27.801 -12.823 -8.782
303 H ARG 45 H ARG 45 22.654 -13.854 -8.901
304 HA ARG 45 HA ARG 45 22.736 -14.674 -6.104
305 HB2 ARG 45 1HB ARG 45 22.373 -11.830 -7.035
306 HB3 ARG 45 2HB ARG 45 21.823 -12.384 -5.459
307 HG2 ARG 45 1HG ARG 45 24.662 -12.768 -6.327
308 HG3 ARG 45 2HG ARG 45 24.112 -11.245 -5.626
309 HD2 ARG 45 1HD ARG 45 24.823 -12.342 -3.743
310 HD3 ARG 45 2HD ARG 45 23.125 -12.817 -3.774
311 HE ARG 45 HE ARG 45 24.713 -14.684 -5.194
312 HH11 ARG 45 1HH1 ARG 45 23.906 -13.650 -1.969
313 HH12 ARG 45 2HH1 ARG 45 24.217 -15.197 -1.255
314 HH21 ARG 45 1HH2 ARG 45 25.126 -16.726 -4.265
315 HH22 ARG 45 2HH2 ARG 45 24.912 -16.946 -2.561
316 H GLU 46 H GLU 46 20.909 -15.704 -5.670
317 HA GLU 46 HA GLU 46 18.753 -15.935 -7.402
318 HB2 GLU 46 1HB GLU 46 19.066 -16.461 -4.462
319 HB3 GLU 46 2HB GLU 46 17.512 -16.690 -5.252
320 HG2 GLU 46 1HG GLU 46 18.404 -18.798 -5.355
321 HG3 GLU 46 2HG GLU 46 18.868 -18.140 -6.923
322 H LYS 47 H LYS 47 16.827 -14.910 -7.653
323 HA LYS 47 HA LYS 47 16.610 -12.204 -6.937
324 HB2 LYS 47 1HB LYS 47 15.383 -13.768 -8.760
325 HB3 LYS 47 2HB LYS 47 14.111 -13.672 -7.550
326 HG2 LYS 47 1HG LYS 47 13.779 -11.435 -7.872
327 HG3 LYS 47 2HG LYS 47 15.436 -11.154 -8.411
328 HD2 LYS 47 1HD LYS 47 14.992 -12.038 -10.555
329 HD3 LYS 47 2HD LYS 47 13.463 -12.748 -10.030
330 HE2 LYS 47 1HE LYS 47 13.209 -10.688 -11.406
331 HE3 LYS 47 2HE LYS 47 12.459 -10.586 -9.814
332 HZ1 LYS 47 3HZ LYS 47 13.897 -9.007 -9.141
333 HZ2 LYS 47 1HZ LYS 47 14.047 -8.706 -10.799
334 HZ3 LYS 47 2HZ LYS 47 15.204 -9.647 -10.002
335 H VAL 48 H VAL 48 15.675 -15.099 -5.296
336 HA VAL 48 HA VAL 48 13.673 -14.063 -3.607
337 HB VAL 48 HB VAL 48 14.137 -16.490 -3.920
338 HG11 VAL 48 1HG1 VAL 48 16.168 -16.599 -1.828
339 HG12 VAL 48 2HG1 VAL 48 16.075 -17.461 -3.365
340 HG13 VAL 48 3HG1 VAL 48 16.728 -15.823 -3.310
341 HG21 VAL 48 3HG2 VAL 48 13.341 -17.084 -1.831
342 HG22 VAL 48 1HG2 VAL 48 14.345 -15.897 -0.997
343 HG23 VAL 48 2HG2 VAL 48 12.929 -15.371 -1.907
344 H ASP 49 H ASP 49 17.022 -13.509 -3.702
345 HA ASP 49 HA ASP 49 17.604 -13.100 -0.982
346 HB2 ASP 49 1HB ASP 49 19.247 -13.243 -2.920
347 HB3 ASP 49 2HB ASP 49 18.844 -11.563 -3.263
348 H PHE 50 H PHE 50 15.766 -11.260 -3.221
349 HA PHE 50 HA PHE 50 16.052 -8.698 -2.053
350 HB2 PHE 50 1HB PHE 50 14.203 -9.975 -3.990
351 HB3 PHE 50 2HB PHE 50 13.612 -8.531 -3.174
352 HD1 PHE 50 HD2 PHE 50 16.075 -9.868 -5.520
353 HD2 PHE 50 HD1 PHE 50 14.613 -6.374 -3.577
354 HE1 PHE 50 HE2 PHE 50 17.328 -8.466 -7.106
355 HE2 PHE 50 HE1 PHE 50 15.863 -4.967 -5.162
356 HZ PHE 50 HZ PHE 50 17.223 -6.012 -6.929
357 H GLU 51 H GLU 51 15.139 -7.800 -0.310
358 HA GLU 51 HA GLU 51 13.037 -9.330 1.077
359 HB2 GLU 51 1HB GLU 51 15.011 -7.478 2.406
360 HB3 GLU 51 2HB GLU 51 13.924 -8.625 3.176
361 HG2 GLU 51 1HG GLU 51 15.195 -10.460 2.062
362 HG3 GLU 51 2HG GLU 51 16.351 -9.248 1.514
363 H ARG 52 H ARG 52 11.611 -7.999 2.473
364 HA ARG 52 HA ARG 52 10.895 -5.535 1.063
365 HB2 ARG 52 1HB ARG 52 9.142 -7.229 1.292
366 HB3 ARG 52 2HB ARG 52 9.324 -7.195 3.041
367 HG2 ARG 52 1HG ARG 52 8.310 -5.133 3.242
368 HG3 ARG 52 2HG ARG 52 8.649 -4.689 1.568
369 HD2 ARG 52 1HD ARG 52 6.601 -5.351 1.025
370 HD3 ARG 52 2HD ARG 52 7.058 -6.998 1.457
371 HE ARG 52 HE ARG 52 5.416 -5.190 2.985
372 HH11 ARG 52 1HH1 ARG 52 7.450 -8.013 3.080
373 HH12 ARG 52 2HH1 ARG 52 6.730 -8.644 4.524
374 HH21 ARG 52 1HH2 ARG 52 4.460 -6.010 4.887
375 HH22 ARG 52 2HH2 ARG 52 5.029 -7.504 5.550
376 H MET 53 H MET 53 10.718 -3.567 2.067
377 HA MET 53 HA MET 53 12.161 -3.293 4.568
378 HB2 MET 53 1HB MET 53 11.301 -1.473 2.384
379 HB3 MET 53 2HB MET 53 11.480 -0.767 3.984
380 HG2 MET 53 1HG MET 53 13.645 -2.407 2.716
381 HG3 MET 53 2HG MET 53 13.485 -0.675 2.432
382 HE1 MET 53 3HE MET 53 15.182 -3.144 3.842
383 HE2 MET 53 1HE MET 53 16.212 -2.336 5.024
384 HE3 MET 53 2HE MET 53 14.807 -3.255 5.562
385 H GLY 54 H GLY 54 9.091 -1.925 3.350
386 HA2 GLY 54 1HA GLY 54 7.005 -2.103 4.467
387 HA3 GLY 54 2HA GLY 54 7.862 -2.522 5.943
388 H GLY 55 H GLY 55 7.402 0.180 3.672
389 HA2 GLY 55 1HA GLY 55 7.876 2.040 5.902
390 HA3 GLY 55 2HA GLY 55 7.950 2.454 4.196
391 H LYS 56 H LYS 56 5.914 2.484 2.996
392 HA LYS 56 HA LYS 56 3.854 3.765 4.554
393 HB2 LYS 56 1HB LYS 56 4.723 4.266 2.100
394 HB3 LYS 56 2HB LYS 56 3.478 3.101 1.669
395 HG2 LYS 56 1HG LYS 56 2.501 5.245 1.504
396 HG3 LYS 56 2HG LYS 56 1.854 4.505 2.970
397 HD2 LYS 56 1HD LYS 56 3.409 5.774 4.331
398 HD3 LYS 56 2HD LYS 56 4.156 6.456 2.884
399 HE2 LYS 56 1HE LYS 56 2.046 7.548 2.310
400 HE3 LYS 56 2HE LYS 56 1.290 6.853 3.743
401 HZ1 LYS 56 3HZ LYS 56 2.378 9.274 3.691
402 HZ2 LYS 56 1HZ LYS 56 3.720 8.378 4.200
403 HZ3 LYS 56 2HZ LYS 56 2.285 8.333 5.094
Start of MODEL 4
1 H1 MET 1 H MET 1 2.231 -0.335 2.192
2 HA MET 1 HA MET 1 1.257 -1.218 -0.443
3 HB2 MET 1 1HB MET 1 3.089 1.095 0.200
4 HB3 MET 1 2HB MET 1 2.875 0.448 -1.421
5 HG2 MET 1 1HG MET 1 1.388 2.165 -1.476
6 HG3 MET 1 2HG MET 1 0.339 0.868 -0.910
7 HE1 MET 1 3HE MET 1 0.825 4.062 -0.943
8 HE2 MET 1 1HE MET 1 -0.095 4.632 0.450
9 HE3 MET 1 2HE MET 1 1.668 4.641 0.494
10 H THR 2 H THR 2 2.923 -2.061 -1.876
11 HA THR 2 HA THR 2 4.878 -3.622 -0.379
12 HB THR 2 HB THR 2 4.026 -3.789 -3.276
13 HG1 THR 2 HG1 THR 2 3.516 -5.543 -1.087
14 HG21 THR 2 3HG2 THR 2 6.108 -4.725 -3.419
15 HG22 THR 2 1HG2 THR 2 5.203 -6.133 -2.865
16 HG23 THR 2 2HG2 THR 2 6.141 -5.180 -1.715
17 H ALA 3 H ALA 3 7.078 -3.586 -0.743
18 HA ALA 3 HA ALA 3 8.210 -1.849 -2.761
19 HB1 ALA 3 1HB ALA 3 7.611 -0.467 -0.648
20 HB2 ALA 3 2HB ALA 3 9.033 -1.245 0.049
21 HB3 ALA 3 3HB ALA 3 9.191 -0.257 -1.403
22 H TYR 4 H TYR 4 9.771 -3.051 -3.603
23 HA TYR 4 HA TYR 4 11.327 -4.801 -1.818
24 HB2 TYR 4 1HB TYR 4 10.545 -5.068 -4.711
25 HB3 TYR 4 2HB TYR 4 11.898 -5.976 -4.045
26 HD1 TYR 4 HD1 TYR 4 11.514 -7.704 -2.338
27 HD2 TYR 4 HD2 TYR 4 8.275 -5.636 -4.164
28 HE1 TYR 4 HE1 TYR 4 9.960 -9.426 -1.519
29 HE2 TYR 4 HE2 TYR 4 6.712 -7.351 -3.349
30 HH TYR 4 HH TYR 4 7.369 -10.198 -2.535
31 H ARG 5 H ARG 5 13.350 -4.214 -1.443
32 HA ARG 5 HA ARG 5 14.796 -2.703 -3.513
33 HB2 ARG 5 1HB ARG 5 14.242 -1.068 -1.879
34 HB3 ARG 5 2HB ARG 5 14.655 -2.149 -0.554
35 HG2 ARG 5 1HG ARG 5 16.818 -1.595 -0.620
36 HG3 ARG 5 2HG ARG 5 16.871 -1.626 -2.384
37 HD2 ARG 5 1HD ARG 5 17.082 0.600 -2.211
38 HD3 ARG 5 2HD ARG 5 15.343 0.579 -1.919
39 HE ARG 5 HE ARG 5 16.798 0.217 0.494
40 HH11 ARG 5 1HH1 ARG 5 15.822 2.627 -1.821
41 HH12 ARG 5 2HH1 ARG 5 15.867 3.930 -0.679
42 HH21 ARG 5 1HH2 ARG 5 16.861 1.923 2.007
43 HH22 ARG 5 2HH2 ARG 5 16.459 3.528 1.498
44 H CYS 6 H CYS 6 16.485 -3.834 -4.183
45 HA CYS 6 HA CYS 6 18.264 -5.086 -2.273
46 HB2 CYS 6 1HB CYS 6 16.324 -6.625 -3.754
47 HB3 CYS 6 2HB CYS 6 17.955 -7.084 -4.230
48 HG CYS 6 HG CYS 6 17.278 -6.887 -0.917
49 HA PRO 7 HA PRO 7 20.470 -3.123 -5.779
50 HB2 PRO 7 1HB PRO 7 22.537 -2.245 -4.254
51 HB3 PRO 7 2HB PRO 7 21.020 -1.354 -4.420
52 HG2 PRO 7 1HG PRO 7 21.923 -3.161 -2.211
53 HG3 PRO 7 2HG PRO 7 21.097 -1.595 -2.109
54 HD2 PRO 7 1HD PRO 7 19.793 -3.951 -1.823
55 HD3 PRO 7 2HD PRO 7 19.028 -2.517 -2.535
56 H VAL 8 H VAL 8 21.304 -5.522 -3.429
57 HA VAL 8 HA VAL 8 23.888 -6.206 -4.270
58 HB VAL 8 HB VAL 8 21.784 -8.061 -3.148
59 HG11 VAL 8 1HG1 VAL 8 24.113 -9.007 -2.216
60 HG12 VAL 8 2HG1 VAL 8 23.382 -9.557 -3.725
61 HG13 VAL 8 3HG1 VAL 8 24.662 -8.344 -3.755
62 HG21 VAL 8 3HG2 VAL 8 21.903 -6.683 -1.377
63 HG22 VAL 8 1HG2 VAL 8 23.460 -7.462 -1.089
64 HG23 VAL 8 2HG2 VAL 8 23.389 -5.921 -1.944
65 H CYS 9 H CYS 9 20.853 -6.654 -5.786
66 HA CYS 9 HA CYS 9 22.070 -8.518 -7.718
67 HB2 CYS 9 1HB CYS 9 19.108 -8.274 -7.537
68 HB3 CYS 9 2HB CYS 9 20.098 -9.674 -7.930
69 HG CYS 9 HG CYS 9 20.882 -10.099 -5.249
70 H ASP 10 H ASP 10 19.491 -6.063 -7.495
71 HA ASP 10 HA ASP 10 20.545 -4.701 -9.821
72 HB2 ASP 10 1HB ASP 10 18.545 -4.867 -11.163
73 HB3 ASP 10 2HB ASP 10 19.094 -6.494 -10.770
74 H TYR 11 H TYR 11 19.382 -2.670 -10.262
75 HA TYR 11 HA TYR 11 19.100 -1.063 -8.069
76 HB2 TYR 11 1HB TYR 11 18.136 -0.889 -10.879
77 HB3 TYR 11 2HB TYR 11 17.468 0.257 -9.722
78 HD1 TYR 11 HD2 TYR 11 20.849 -1.149 -10.509
79 HD2 TYR 11 HD1 TYR 11 18.503 2.309 -9.707
80 HE1 TYR 11 HE2 TYR 11 22.850 0.259 -10.757
81 HE2 TYR 11 HE1 TYR 11 20.497 3.726 -9.954
82 HH TYR 11 HH TYR 11 22.646 3.788 -10.587
83 H THR 12 H THR 12 17.244 -0.049 -7.077
84 HA THR 12 HA THR 12 14.983 -1.916 -6.834
85 HB THR 12 HB THR 12 16.032 -1.676 -4.716
86 HG1 THR 12 HG1 THR 12 13.603 -1.205 -4.988
87 HG21 THR 12 3HG2 THR 12 15.841 1.011 -3.994
88 HG22 THR 12 1HG2 THR 12 16.512 1.027 -5.624
89 HG23 THR 12 2HG2 THR 12 17.316 0.113 -4.348
90 H TYR 13 H TYR 13 12.897 -1.214 -7.047
91 HA TYR 13 HA TYR 13 12.356 1.620 -7.423
92 HB2 TYR 13 1HB TYR 13 11.041 0.982 -9.561
93 HB3 TYR 13 2HB TYR 13 12.787 1.172 -9.675
94 HD1 TYR 13 HD1 TYR 13 14.239 -0.818 -9.870
95 HD2 TYR 13 HD2 TYR 13 9.997 -1.143 -9.917
96 HE1 TYR 13 HE1 TYR 13 14.429 -3.086 -10.803
97 HE2 TYR 13 HE2 TYR 13 10.175 -3.412 -10.848
98 HH TYR 13 HH TYR 13 11.910 -5.266 -10.862
99 H ASP 14 H ASP 14 10.845 1.843 -5.894
100 HA ASP 14 HA ASP 14 8.987 -0.192 -5.186
101 HB2 ASP 14 1HB ASP 14 9.573 1.348 -3.479
102 HB3 ASP 14 2HB ASP 14 9.201 2.736 -4.498
103 H GLU 15 H GLU 15 6.765 -0.304 -5.551
104 HA GLU 15 HA GLU 15 5.863 0.289 -8.109
105 HB2 GLU 15 1HB GLU 15 4.820 -0.955 -5.775
106 HB3 GLU 15 2HB GLU 15 3.617 0.192 -6.348
107 HG2 GLU 15 1HG GLU 15 4.817 -1.478 -8.437
108 HG3 GLU 15 2HG GLU 15 3.872 -2.351 -7.233
109 H GLY 16 H GLY 16 5.155 1.994 -5.063
110 HA2 GLY 16 1HA GLY 16 3.588 4.024 -6.297
111 HA3 GLY 16 2HA GLY 16 4.257 4.076 -4.673
112 H LYS 17 H LYS 17 7.006 3.710 -5.578
113 HA LYS 17 HA LYS 17 7.749 6.399 -5.861
114 HB2 LYS 17 1HB LYS 17 9.236 4.686 -4.924
115 HB3 LYS 17 2HB LYS 17 9.345 3.911 -6.500
116 HG2 LYS 17 1HG LYS 17 11.236 5.111 -6.655
117 HG3 LYS 17 2HG LYS 17 10.135 6.398 -7.150
118 HD2 LYS 17 1HD LYS 17 10.084 7.284 -4.913
119 HD3 LYS 17 2HD LYS 17 11.027 5.920 -4.308
120 HE2 LYS 17 1HE LYS 17 12.548 7.710 -4.528
121 HE3 LYS 17 2HE LYS 17 12.852 6.648 -5.902
122 HZ1 LYS 17 3HZ LYS 17 11.815 8.120 -7.359
123 HZ2 LYS 17 1HZ LYS 17 12.712 9.132 -6.343
124 HZ3 LYS 17 2HZ LYS 17 11.043 8.975 -6.120
125 H GLY 18 H GLY 18 7.121 3.894 -8.227
126 HA2 GLY 18 1HA GLY 18 6.883 3.991 -10.508
127 HA3 GLY 18 2HA GLY 18 6.697 5.728 -10.321
128 H ASP 19 H ASP 19 8.808 3.162 -11.205
129 HA ASP 19 HA ASP 19 10.922 5.123 -11.815
130 HB2 ASP 19 1HB ASP 19 11.194 2.186 -11.146
131 HB3 ASP 19 2HB ASP 19 12.519 3.214 -11.683
132 HA PRO 20 HA PRO 20 9.282 3.486 -15.825
133 HB2 PRO 20 1HB PRO 20 9.315 5.894 -17.079
134 HB3 PRO 20 2HB PRO 20 7.952 5.339 -16.099
135 HG2 PRO 20 1HG PRO 20 10.176 7.206 -15.369
136 HG3 PRO 20 2HG PRO 20 8.443 7.339 -15.018
137 HD2 PRO 20 1HD PRO 20 10.238 6.472 -13.185
138 HD3 PRO 20 2HD PRO 20 8.564 5.883 -13.235
139 H ARG 21 H ARG 21 12.112 4.961 -14.689
140 HA ARG 21 HA ARG 21 13.521 5.217 -17.154
141 HB2 ARG 21 1HB ARG 21 15.430 5.706 -15.846
142 HB3 ARG 21 2HB ARG 21 14.067 6.380 -14.962
143 HG2 ARG 21 1HG ARG 21 14.130 4.037 -13.757
144 HG3 ARG 21 2HG ARG 21 15.810 4.071 -14.296
145 HD2 ARG 21 1HD ARG 21 15.248 6.619 -13.238
146 HD3 ARG 21 2HD ARG 21 14.581 5.446 -12.104
147 HE ARG 21 HE ARG 21 16.711 4.887 -11.509
148 HH11 ARG 21 1HH1 ARG 21 16.798 6.492 -14.598
149 HH12 ARG 21 2HH1 ARG 21 18.528 6.542 -14.669
150 HH21 ARG 21 1HH2 ARG 21 18.989 4.947 -11.592
151 HH22 ARG 21 2HH2 ARG 21 19.774 5.662 -12.959
152 H GLU 22 H GLU 22 12.984 2.627 -14.886
153 HA GLU 22 HA GLU 22 14.964 0.933 -16.210
154 HB2 GLU 22 1HB GLU 22 13.432 0.778 -13.651
155 HB3 GLU 22 2HB GLU 22 14.005 -0.716 -14.380
156 HG2 GLU 22 1HG GLU 22 15.766 -0.243 -13.029
157 HG3 GLU 22 2HG GLU 22 16.279 0.599 -14.490
158 H GLY 23 H GLY 23 12.382 1.830 -17.440
159 HA2 GLY 23 1HA GLY 23 10.941 0.876 -18.968
160 HA3 GLY 23 2HA GLY 23 11.691 -0.677 -18.631
161 H PHE 24 H PHE 24 10.510 1.058 -15.920
162 HA PHE 24 HA PHE 24 7.984 -0.432 -15.951
163 HB2 PHE 24 1HB PHE 24 9.888 -0.348 -13.602
164 HB3 PHE 24 2HB PHE 24 8.303 -1.113 -13.618
165 HD1 PHE 24 HD2 PHE 24 8.098 -2.718 -15.867
166 HD2 PHE 24 HD1 PHE 24 11.615 -1.839 -13.637
167 HE1 PHE 24 HE2 PHE 24 9.118 -4.814 -16.656
168 HE2 PHE 24 HE1 PHE 24 12.641 -3.933 -14.423
169 HZ PHE 24 HZ PHE 24 11.392 -5.424 -15.933
170 HA PRO 25 HA PRO 25 7.248 3.965 -14.834
171 HB2 PRO 25 1HB PRO 25 4.873 4.115 -16.141
172 HB3 PRO 25 2HB PRO 25 6.429 4.362 -16.943
173 HG2 PRO 25 1HG PRO 25 4.699 1.919 -16.874
174 HG3 PRO 25 2HG PRO 25 5.571 2.634 -18.242
175 HD2 PRO 25 1HD PRO 25 6.506 0.490 -16.877
176 HD3 PRO 25 2HD PRO 25 7.581 1.697 -17.612
177 H ALA 26 H ALA 26 5.162 4.927 -13.889
178 HA ALA 26 HA ALA 26 4.486 3.644 -11.543
179 HB1 ALA 26 1HB ALA 26 3.083 5.397 -11.126
180 HB2 ALA 26 2HB ALA 26 4.054 6.094 -12.423
181 HB3 ALA 26 3HB ALA 26 2.457 5.434 -12.775
182 H GLY 27 H GLY 27 3.227 1.972 -11.042
183 HA2 GLY 27 1HA GLY 27 1.017 0.936 -11.217
184 HA3 GLY 27 2HA GLY 27 1.109 1.203 -12.952
185 H THR 28 H THR 28 3.984 0.375 -12.938
186 HA THR 28 HA THR 28 3.698 -2.258 -13.739
187 HB THR 28 HB THR 28 6.223 -1.073 -12.574
188 HG1 THR 28 HG1 THR 28 5.473 -1.063 -15.311
189 HG21 THR 28 3HG2 THR 28 6.365 -2.893 -14.867
190 HG22 THR 28 1HG2 THR 28 5.755 -3.639 -13.391
191 HG23 THR 28 2HG2 THR 28 7.333 -2.850 -13.394
192 H ARG 29 H ARG 29 3.378 -4.105 -12.692
193 HA ARG 29 HA ARG 29 3.386 -4.163 -9.811
194 HB2 ARG 29 1HB ARG 29 2.693 -6.185 -11.934
195 HB3 ARG 29 2HB ARG 29 2.726 -6.603 -10.226
196 HG2 ARG 29 1HG ARG 29 1.135 -4.554 -9.981
197 HG3 ARG 29 2HG ARG 29 0.854 -4.817 -11.703
198 HD2 ARG 29 1HD ARG 29 0.446 -6.809 -9.477
199 HD3 ARG 29 2HD ARG 29 -0.811 -6.003 -10.415
200 HE ARG 29 HE ARG 29 0.761 -8.279 -11.210
201 HH11 ARG 29 1HH1 ARG 29 -1.167 -5.593 -12.301
202 HH12 ARG 29 2HH1 ARG 29 -1.563 -6.326 -13.820
203 HH21 ARG 29 1HH2 ARG 29 0.247 -9.254 -13.207
204 HH22 ARG 29 2HH2 ARG 29 -0.759 -8.409 -14.334
205 H TRP 30 H TRP 30 5.035 -4.737 -8.569
206 HA TRP 30 HA TRP 30 7.573 -5.349 -9.484
207 HB2 TRP 30 1HB TRP 30 7.944 -6.233 -7.114
208 HB3 TRP 30 2HB TRP 30 7.384 -4.570 -7.262
209 HD1 TRP 30 HD1 TRP 30 5.019 -3.981 -6.265
210 HE1 TRP 30 HE1 TRP 30 3.355 -5.277 -4.790
211 HE3 TRP 30 HE3 TRP 30 7.038 -8.659 -6.683
212 HZ2 TRP 30 HZ2 TRP 30 2.953 -7.931 -3.917
213 HZ3 TRP 30 HZ3 TRP 30 5.954 -10.522 -5.496
214 HH2 TRP 30 HH2 TRP 30 3.954 -10.163 -4.142
215 H ASP 31 H ASP 31 4.863 -7.452 -8.899
216 HA ASP 31 HA ASP 31 6.431 -9.874 -9.014
217 HB2 ASP 31 1HB ASP 31 4.421 -11.035 -8.635
218 HB3 ASP 31 2HB ASP 31 4.232 -9.537 -7.729
219 H GLN 32 H GLN 32 4.606 -7.876 -11.207
220 HA GLN 32 HA GLN 32 4.305 -9.754 -13.300
221 HB2 GLN 32 1HB GLN 32 2.974 -7.709 -13.197
222 HB3 GLN 32 2HB GLN 32 4.424 -6.735 -13.402
223 HG2 GLN 32 1HG GLN 32 2.952 -7.087 -15.440
224 HG3 GLN 32 2HG GLN 32 4.682 -7.371 -15.630
225 HE21 GLN 32 2HE2 GLN 32 1.832 -9.210 -14.570
226 HE22 GLN 32 1HE2 GLN 32 2.180 -10.616 -15.511
227 H ILE 33 H ILE 33 7.018 -8.085 -12.114
228 HA ILE 33 HA ILE 33 8.580 -7.594 -14.330
229 HB ILE 33 HB ILE 33 9.539 -8.730 -11.701
230 HG12 ILE 33 1HG1 ILE 33 8.188 -6.691 -11.422
231 HG13 ILE 33 2HG1 ILE 33 9.881 -6.398 -11.038
232 HG21 ILE 33 1HG2 ILE 33 11.675 -7.738 -12.244
233 HG22 ILE 33 2HG2 ILE 33 11.192 -8.847 -13.526
234 HG23 ILE 33 3HG2 ILE 33 11.028 -7.107 -13.758
235 HD11 ILE 33 3HD1 ILE 33 9.968 -4.763 -12.519
236 HD12 ILE 33 1HD1 ILE 33 9.418 -5.841 -13.802
237 HD13 ILE 33 2HD1 ILE 33 8.242 -4.979 -12.810
238 HA PRO 34 HA PRO 34 9.169 -11.578 -16.160
239 HB2 PRO 34 1HB PRO 34 11.188 -10.892 -17.839
240 HB3 PRO 34 2HB PRO 34 9.503 -10.443 -18.129
241 HG2 PRO 34 1HG PRO 34 11.726 -8.811 -16.963
242 HG3 PRO 34 2HG PRO 34 10.493 -8.339 -18.147
243 HD2 PRO 34 1HD PRO 34 10.315 -7.695 -15.523
244 HD3 PRO 34 2HD PRO 34 8.886 -8.007 -16.529
245 H ASP 35 H ASP 35 10.172 -13.233 -15.222
246 HA ASP 35 HA ASP 35 12.470 -12.927 -13.580
247 HB2 ASP 35 1HB ASP 35 12.345 -15.314 -13.250
248 HB3 ASP 35 2HB ASP 35 10.708 -14.663 -13.239
249 H ASP 36 H ASP 36 12.107 -13.197 -16.912
250 HA ASP 36 HA ASP 36 14.533 -14.643 -17.460
251 HB2 ASP 36 1HB ASP 36 13.050 -12.889 -19.412
252 HB3 ASP 36 2HB ASP 36 14.048 -14.300 -19.752
253 H TRP 37 H TRP 37 13.776 -11.460 -16.587
254 HA TRP 37 HA TRP 37 15.559 -9.885 -17.980
255 HB2 TRP 37 1HB TRP 37 13.848 -9.391 -15.986
256 HB3 TRP 37 2HB TRP 37 15.340 -9.410 -15.049
257 HD1 TRP 37 HD1 TRP 37 16.787 -7.266 -15.101
258 HE1 TRP 37 HE1 TRP 37 16.660 -5.024 -16.358
259 HE3 TRP 37 HE3 TRP 37 13.052 -8.397 -18.404
260 HZ2 TRP 37 HZ2 TRP 37 15.173 -3.885 -18.470
261 HZ3 TRP 37 HZ3 TRP 37 12.336 -6.676 -20.009
262 HH2 TRP 37 HH2 TRP 37 13.375 -4.467 -20.040
263 H CYS 38 H CYS 38 17.709 -9.668 -18.063
264 HA CYS 38 HA CYS 38 19.314 -11.289 -16.207
265 HB2 CYS 38 1HB CYS 38 19.815 -10.366 -19.033
266 HB3 CYS 38 2HB CYS 38 21.104 -10.995 -18.014
267 HG CYS 38 HG CYS 38 20.209 -12.968 -19.835
268 H CYS 39 H CYS 39 20.682 -10.331 -14.842
269 HA CYS 39 HA CYS 39 21.387 -7.513 -15.313
270 HB2 CYS 39 1HB CYS 39 19.994 -8.714 -13.037
271 HB3 CYS 39 2HB CYS 39 21.398 -7.765 -12.565
272 HG CYS 39 HG CYS 39 20.363 -5.429 -12.917
273 HA PRO 40 HA PRO 40 25.570 -8.567 -14.530
274 HB2 PRO 40 1HB PRO 40 26.468 -6.426 -13.123
275 HB3 PRO 40 2HB PRO 40 26.093 -6.352 -14.849
276 HG2 PRO 40 1HG PRO 40 24.435 -5.489 -12.511
277 HG3 PRO 40 2HG PRO 40 24.701 -4.665 -14.059
278 HD2 PRO 40 1HD PRO 40 22.459 -6.091 -13.533
279 HD3 PRO 40 2HD PRO 40 23.155 -5.971 -15.162
280 H ASP 41 H ASP 41 24.092 -7.160 -11.601
281 HA ASP 41 HA ASP 41 25.790 -8.730 -9.875
282 HB2 ASP 41 1HB ASP 41 23.948 -6.485 -9.586
283 HB3 ASP 41 2HB ASP 41 23.788 -7.662 -8.285
284 H CYS 42 H CYS 42 22.293 -8.577 -10.533
285 HA CYS 42 HA CYS 42 21.508 -10.690 -8.902
286 HB2 CYS 42 1HB CYS 42 20.010 -9.041 -10.098
287 HB3 CYS 42 2HB CYS 42 20.245 -9.997 -11.557
288 HG CYS 42 HG CYS 42 17.852 -10.906 -10.841
289 H SER 43 H SER 43 23.193 -10.713 -11.902
290 HA SER 43 HA SER 43 22.535 -13.138 -13.023
291 HB2 SER 43 1HB SER 43 24.061 -12.148 -14.379
292 HB3 SER 43 2HB SER 43 24.919 -11.400 -13.032
293 HG SER 43 HG SER 43 25.347 -13.831 -14.281
294 H VAL 44 H VAL 44 24.692 -12.496 -10.305
295 HA VAL 44 HA VAL 44 25.067 -15.388 -9.938
296 HB VAL 44 HB VAL 44 26.873 -14.753 -8.351
297 HG11 VAL 44 1HG1 VAL 44 28.385 -13.741 -10.174
298 HG12 VAL 44 2HG1 VAL 44 27.655 -15.320 -10.470
299 HG13 VAL 44 3HG1 VAL 44 26.968 -13.875 -11.215
300 HG21 VAL 44 3HG2 VAL 44 26.449 -11.953 -9.387
301 HG22 VAL 44 1HG2 VAL 44 25.943 -12.516 -7.794
302 HG23 VAL 44 2HG2 VAL 44 27.655 -12.484 -8.215
303 H ARG 45 H ARG 45 22.622 -13.901 -9.234
304 HA ARG 45 HA ARG 45 22.473 -14.763 -6.447
305 HB2 ARG 45 1HB ARG 45 21.408 -12.076 -7.325
306 HB3 ARG 45 2HB ARG 45 21.417 -12.738 -5.695
307 HG2 ARG 45 1HG ARG 45 23.919 -12.140 -7.252
308 HG3 ARG 45 2HG ARG 45 23.148 -10.990 -6.157
309 HD2 ARG 45 1HD ARG 45 23.625 -12.266 -4.278
310 HD3 ARG 45 2HD ARG 45 23.837 -13.744 -5.216
311 HE ARG 45 HE ARG 45 25.785 -11.707 -5.791
312 HH11 ARG 45 1HH1 ARG 45 24.961 -14.397 -3.740
313 HH12 ARG 45 2HH1 ARG 45 26.604 -14.737 -3.306
314 HH21 ARG 45 1HH2 ARG 45 27.951 -12.145 -5.227
315 HH22 ARG 45 2HH2 ARG 45 28.304 -13.455 -4.152
316 H GLU 46 H GLU 46 20.164 -14.798 -5.675
317 HA GLU 46 HA GLU 46 18.487 -15.839 -7.833
318 HB2 GLU 46 1HB GLU 46 18.130 -16.048 -4.838
319 HB3 GLU 46 2HB GLU 46 17.159 -16.867 -6.053
320 HG2 GLU 46 1HG GLU 46 18.840 -18.346 -6.597
321 HG3 GLU 46 2HG GLU 46 20.110 -17.290 -5.984
322 H LYS 47 H LYS 47 16.378 -15.152 -8.189
323 HA LYS 47 HA LYS 47 15.878 -12.400 -7.802
324 HB2 LYS 47 1HB LYS 47 14.366 -14.705 -8.931
325 HB3 LYS 47 2HB LYS 47 13.456 -13.259 -8.513
326 HG2 LYS 47 1HG LYS 47 15.890 -13.195 -10.273
327 HG3 LYS 47 2HG LYS 47 14.256 -13.430 -10.897
328 HD2 LYS 47 1HD LYS 47 14.936 -11.104 -9.126
329 HD3 LYS 47 2HD LYS 47 15.210 -11.044 -10.868
330 HE2 LYS 47 1HE LYS 47 13.099 -10.198 -10.813
331 HE3 LYS 47 2HE LYS 47 12.702 -11.914 -10.903
332 HZ1 LYS 47 3HZ LYS 47 12.082 -10.066 -8.866
333 HZ2 LYS 47 1HZ LYS 47 13.039 -11.302 -8.217
334 HZ3 LYS 47 2HZ LYS 47 11.597 -11.680 -9.016
335 H VAL 48 H VAL 48 15.128 -15.206 -5.927
336 HA VAL 48 HA VAL 48 12.969 -14.103 -4.433
337 HB VAL 48 HB VAL 48 13.427 -16.548 -4.625
338 HG11 VAL 48 1HG1 VAL 48 15.913 -16.275 -4.274
339 HG12 VAL 48 2HG1 VAL 48 15.562 -16.099 -2.554
340 HG13 VAL 48 3HG1 VAL 48 15.152 -17.597 -3.390
341 HG21 VAL 48 3HG2 VAL 48 12.202 -15.238 -2.661
342 HG22 VAL 48 1HG2 VAL 48 12.388 -16.992 -2.650
343 HG23 VAL 48 2HG2 VAL 48 13.490 -15.982 -1.714
344 H ASP 49 H ASP 49 16.247 -13.417 -4.469
345 HA ASP 49 HA ASP 49 16.818 -12.996 -1.748
346 HB2 ASP 49 1HB ASP 49 18.483 -13.040 -3.643
347 HB3 ASP 49 2HB ASP 49 17.946 -11.415 -4.062
348 H PHE 50 H PHE 50 14.909 -11.218 -3.995
349 HA PHE 50 HA PHE 50 15.035 -8.644 -2.928
350 HB2 PHE 50 1HB PHE 50 13.085 -10.163 -4.570
351 HB3 PHE 50 2HB PHE 50 12.480 -8.717 -3.768
352 HD1 PHE 50 HD1 PHE 50 13.809 -6.547 -4.120
353 HD2 PHE 50 HD2 PHE 50 14.215 -9.994 -6.584
354 HE1 PHE 50 HE1 PHE 50 14.765 -5.152 -5.908
355 HE2 PHE 50 HE2 PHE 50 15.172 -8.606 -8.375
356 HZ PHE 50 HZ PHE 50 15.449 -6.182 -8.039
357 H GLU 51 H GLU 51 14.287 -7.729 -1.122
358 HA GLU 51 HA GLU 51 12.414 -9.284 0.540
359 HB2 GLU 51 1HB GLU 51 14.505 -7.373 1.581
360 HB3 GLU 51 2HB GLU 51 13.511 -8.483 2.513
361 HG2 GLU 51 1HG GLU 51 14.681 -10.311 1.086
362 HG3 GLU 51 2HG GLU 51 15.881 -9.053 0.796
363 H ARG 52 H ARG 52 10.852 -8.134 1.725
364 HA ARG 52 HA ARG 52 10.020 -5.670 0.455
365 HB2 ARG 52 1HB ARG 52 7.961 -5.934 1.689
366 HB3 ARG 52 2HB ARG 52 8.404 -7.480 0.977
367 HG2 ARG 52 1HG ARG 52 9.300 -8.207 3.142
368 HG3 ARG 52 2HG ARG 52 8.808 -6.666 3.847
369 HD2 ARG 52 1HD ARG 52 6.461 -7.209 3.103
370 HD3 ARG 52 2HD ARG 52 7.046 -8.826 2.714
371 HE ARG 52 HE ARG 52 7.773 -8.246 5.348
372 HH11 ARG 52 1HH1 ARG 52 4.901 -8.790 3.457
373 HH12 ARG 52 2HH1 ARG 52 3.990 -9.429 4.784
374 HH21 ARG 52 1HH2 ARG 52 6.583 -9.085 7.104
375 HH22 ARG 52 2HH2 ARG 52 4.947 -9.595 6.859
376 H MET 53 H MET 53 9.899 -3.669 1.389
377 HA MET 53 HA MET 53 11.609 -3.219 3.672
378 HB2 MET 53 1HB MET 53 10.146 -1.429 1.752
379 HB3 MET 53 2HB MET 53 10.882 -0.777 3.210
380 HG2 MET 53 1HG MET 53 12.489 -2.462 1.342
381 HG3 MET 53 2HG MET 53 12.199 -0.761 0.985
382 HE1 MET 53 3HE MET 53 15.560 -2.333 3.326
383 HE2 MET 53 1HE MET 53 14.105 -3.329 3.289
384 HE3 MET 53 2HE MET 53 14.826 -2.767 1.782
385 H GLY 54 H GLY 54 10.722 -1.362 5.211
386 HA2 GLY 54 1HA GLY 54 8.000 -1.258 5.867
387 HA3 GLY 54 2HA GLY 54 8.730 -2.553 6.804
388 H GLY 55 H GLY 55 9.070 0.897 6.034
389 HA2 GLY 55 1HA GLY 55 10.862 1.478 8.150
390 HA3 GLY 55 2HA GLY 55 9.884 2.649 7.277
391 H LYS 56 H LYS 56 7.860 3.240 8.081
392 HA LYS 56 HA LYS 56 7.200 2.229 10.764
393 HB2 LYS 56 1HB LYS 56 8.365 4.599 10.528
394 HB3 LYS 56 2HB LYS 56 6.729 5.108 10.133
395 HG2 LYS 56 1HG LYS 56 5.913 4.538 12.241
396 HG3 LYS 56 2HG LYS 56 7.306 3.516 12.604
397 HD2 LYS 56 1HD LYS 56 8.735 5.512 12.676
398 HD3 LYS 56 2HD LYS 56 7.328 6.523 12.342
399 HE2 LYS 56 1HE LYS 56 6.300 5.464 14.430
400 HE3 LYS 56 2HE LYS 56 7.927 4.892 14.792
401 HZ1 LYS 56 3HZ LYS 56 8.538 7.371 14.433
402 HZ2 LYS 56 1HZ LYS 56 7.861 6.882 15.905
403 HZ3 LYS 56 2HZ LYS 56 6.898 7.645 14.743
Start of MODEL 5
1 H1 MET 1 H MET 1 2.013 -1.015 1.448
2 HA MET 1 HA MET 1 1.623 -2.107 -1.261
3 HB2 MET 1 1HB MET 1 3.254 -0.255 -1.926
4 HB3 MET 1 2HB MET 1 1.625 0.235 -1.479
5 HG2 MET 1 1HG MET 1 2.445 0.805 0.771
6 HG3 MET 1 2HG MET 1 4.077 0.383 0.258
7 HE1 MET 1 3HE MET 1 3.988 4.046 0.929
8 HE2 MET 1 1HE MET 1 4.533 2.425 1.361
9 HE3 MET 1 2HE MET 1 5.391 3.342 0.123
10 H THR 2 H THR 2 3.549 -2.783 -2.408
11 HA THR 2 HA THR 2 5.427 -4.108 -0.616
12 HB THR 2 HB THR 2 5.034 -4.387 -3.602
13 HG1 THR 2 HG1 THR 2 4.370 -6.590 -2.637
14 HG21 THR 2 3HG2 THR 2 6.367 -6.579 -3.019
15 HG22 THR 2 1HG2 THR 2 6.985 -5.594 -1.694
16 HG23 THR 2 2HG2 THR 2 7.217 -5.073 -3.363
17 H ALA 3 H ALA 3 7.642 -3.838 -0.674
18 HA ALA 3 HA ALA 3 8.784 -1.876 -2.503
19 HB1 ALA 3 1HB ALA 3 9.389 -0.309 -0.977
20 HB2 ALA 3 2HB ALA 3 7.931 -0.899 -0.177
21 HB3 ALA 3 3HB ALA 3 9.516 -1.476 0.340
22 H TYR 4 H TYR 4 10.494 -2.855 -3.346
23 HA TYR 4 HA TYR 4 12.109 -4.610 -1.614
24 HB2 TYR 4 1HB TYR 4 11.387 -4.807 -4.524
25 HB3 TYR 4 2HB TYR 4 12.832 -5.598 -3.904
26 HD1 TYR 4 HD1 TYR 4 12.558 -7.280 -2.014
27 HD2 TYR 4 HD2 TYR 4 9.278 -5.808 -4.289
28 HE1 TYR 4 HE1 TYR 4 11.201 -9.199 -1.289
29 HE2 TYR 4 HE2 TYR 4 7.912 -7.722 -3.569
30 HH TYR 4 HH TYR 4 7.880 -9.648 -2.460
31 H ARG 5 H ARG 5 14.062 -3.873 -1.150
32 HA ARG 5 HA ARG 5 15.435 -2.160 -3.110
33 HB2 ARG 5 1HB ARG 5 14.424 -0.992 -1.015
34 HB3 ARG 5 2HB ARG 5 15.768 -1.735 -0.158
35 HG2 ARG 5 1HG ARG 5 16.280 -0.128 -2.621
36 HG3 ARG 5 2HG ARG 5 15.996 0.677 -1.076
37 HD2 ARG 5 1HD ARG 5 17.839 -0.550 -0.075
38 HD3 ARG 5 2HD ARG 5 18.096 -1.428 -1.582
39 HE ARG 5 HE ARG 5 18.290 1.258 -2.201
40 HH11 ARG 5 1HH1 ARG 5 19.938 -1.022 -0.150
41 HH12 ARG 5 2HH1 ARG 5 21.466 -0.212 -0.256
42 HH21 ARG 5 1HH2 ARG 5 20.296 2.334 -2.348
43 HH22 ARG 5 2HH2 ARG 5 21.668 1.698 -1.506
44 H CYS 6 H CYS 6 16.944 -3.542 -3.856
45 HA CYS 6 HA CYS 6 19.014 -4.392 -2.023
46 HB2 CYS 6 1HB CYS 6 17.098 -6.209 -2.308
47 HB3 CYS 6 2HB CYS 6 17.977 -6.559 -3.792
48 HG CYS 6 HG CYS 6 18.843 -8.424 -1.978
49 HA PRO 7 HA PRO 7 20.649 -2.986 -6.067
50 HB2 PRO 7 1HB PRO 7 22.848 -1.806 -4.999
51 HB3 PRO 7 2HB PRO 7 21.279 -0.999 -5.099
52 HG2 PRO 7 1HG PRO 7 22.550 -2.386 -2.771
53 HG3 PRO 7 2HG PRO 7 21.666 -0.849 -2.811
54 HD2 PRO 7 1HD PRO 7 20.532 -3.162 -1.974
55 HD3 PRO 7 2HD PRO 7 19.609 -1.889 -2.798
56 H VAL 8 H VAL 8 21.656 -5.147 -3.659
57 HA VAL 8 HA VAL 8 24.239 -5.824 -4.588
58 HB VAL 8 HB VAL 8 22.289 -7.611 -3.130
59 HG11 VAL 8 1HG1 VAL 8 25.125 -7.842 -3.904
60 HG12 VAL 8 2HG1 VAL 8 24.728 -8.331 -2.255
61 HG13 VAL 8 3HG1 VAL 8 23.918 -9.096 -3.622
62 HG21 VAL 8 3HG2 VAL 8 22.442 -5.844 -1.671
63 HG22 VAL 8 1HG2 VAL 8 23.831 -6.806 -1.163
64 HG23 VAL 8 2HG2 VAL 8 24.064 -5.402 -2.205
65 H CYS 9 H CYS 9 21.102 -6.494 -5.789
66 HA CYS 9 HA CYS 9 22.214 -8.525 -7.613
67 HB2 CYS 9 1HB CYS 9 19.271 -8.283 -7.124
68 HB3 CYS 9 2HB CYS 9 20.208 -9.690 -7.609
69 HG CYS 9 HG CYS 9 21.407 -9.916 -5.013
70 H ASP 10 H ASP 10 19.618 -6.085 -7.426
71 HA ASP 10 HA ASP 10 20.430 -5.003 -9.989
72 HB2 ASP 10 1HB ASP 10 18.228 -5.251 -11.027
73 HB3 ASP 10 2HB ASP 10 18.910 -6.827 -10.634
74 H TYR 11 H TYR 11 19.222 -3.020 -10.537
75 HA TYR 11 HA TYR 11 19.204 -1.151 -8.555
76 HB2 TYR 11 1HB TYR 11 17.617 -1.286 -11.112
77 HB3 TYR 11 2HB TYR 11 17.544 0.116 -10.050
78 HD1 TYR 11 HD2 TYR 11 20.213 0.613 -9.203
79 HD2 TYR 11 HD1 TYR 11 18.873 -0.807 -12.984
80 HE1 TYR 11 HE2 TYR 11 22.241 1.521 -10.256
81 HE2 TYR 11 HE1 TYR 11 20.898 0.097 -14.047
82 HH TYR 11 HH TYR 11 23.401 0.647 -13.069
83 H THR 12 H THR 12 17.489 -0.004 -7.458
84 HA THR 12 HA THR 12 15.310 -1.813 -6.661
85 HB THR 12 HB THR 12 15.256 -0.781 -4.541
86 HG1 THR 12 HG1 THR 12 15.525 1.317 -4.541
87 HG21 THR 12 3HG2 THR 12 17.470 -2.076 -5.358
88 HG22 THR 12 1HG2 THR 12 17.242 -1.492 -3.710
89 HG23 THR 12 2HG2 THR 12 18.184 -0.543 -4.859
90 H TYR 13 H TYR 13 13.231 -1.230 -6.915
91 HA TYR 13 HA TYR 13 12.533 1.553 -7.404
92 HB2 TYR 13 1HB TYR 13 11.861 -0.628 -9.390
93 HB3 TYR 13 2HB TYR 13 11.323 1.045 -9.474
94 HD1 TYR 13 HD2 TYR 13 13.260 2.833 -9.488
95 HD2 TYR 13 HD1 TYR 13 13.747 -1.252 -10.575
96 HE1 TYR 13 HE2 TYR 13 15.275 3.420 -10.770
97 HE2 TYR 13 HE1 TYR 13 15.764 -0.676 -11.859
98 HH TYR 13 HH TYR 13 17.174 2.516 -11.730
99 H ASP 14 H ASP 14 11.048 1.839 -5.874
100 HA ASP 14 HA ASP 14 9.369 -0.234 -4.887
101 HB2 ASP 14 1HB ASP 14 10.049 1.650 -3.477
102 HB3 ASP 14 2HB ASP 14 9.176 2.764 -4.526
103 H GLU 15 H GLU 15 7.089 -0.411 -5.042
104 HA GLU 15 HA GLU 15 6.035 -0.273 -7.599
105 HB2 GLU 15 1HB GLU 15 5.199 -1.280 -5.174
106 HB3 GLU 15 2HB GLU 15 4.010 -0.026 -5.501
107 HG2 GLU 15 1HG GLU 15 4.643 -1.828 -7.745
108 HG3 GLU 15 2HG GLU 15 3.796 -2.548 -6.377
109 H GLY 16 H GLY 16 5.791 2.051 -4.948
110 HA2 GLY 16 1HA GLY 16 4.118 3.823 -6.541
111 HA3 GLY 16 2HA GLY 16 4.634 4.087 -4.882
112 H LYS 17 H LYS 17 7.175 3.161 -6.915
113 HA LYS 17 HA LYS 17 8.285 5.845 -6.795
114 HB2 LYS 17 1HB LYS 17 9.453 3.482 -6.370
115 HB3 LYS 17 2HB LYS 17 9.753 3.607 -8.099
116 HG2 LYS 17 1HG LYS 17 11.652 4.548 -7.210
117 HG3 LYS 17 2HG LYS 17 10.651 5.970 -7.514
118 HD2 LYS 17 1HD LYS 17 10.078 6.175 -5.232
119 HD3 LYS 17 2HD LYS 17 10.683 4.560 -4.857
120 HE2 LYS 17 1HE LYS 17 12.953 5.538 -5.708
121 HE3 LYS 17 2HE LYS 17 12.191 7.088 -5.358
122 HZ1 LYS 17 3HZ LYS 17 13.562 5.805 -3.549
123 HZ2 LYS 17 1HZ LYS 17 12.091 5.006 -3.303
124 HZ3 LYS 17 2HZ LYS 17 12.179 6.687 -3.132
125 H GLY 18 H GLY 18 7.594 3.385 -9.274
126 HA2 GLY 18 1HA GLY 18 6.710 3.839 -11.409
127 HA3 GLY 18 2HA GLY 18 7.138 5.531 -11.202
128 H ASP 19 H ASP 19 9.057 6.269 -11.970
129 HA ASP 19 HA ASP 19 10.992 6.321 -13.164
130 HB2 ASP 19 1HB ASP 19 11.497 3.433 -12.525
131 HB3 ASP 19 2HB ASP 19 12.651 4.756 -12.673
132 HA PRO 20 HA PRO 20 8.797 4.163 -16.640
133 HB2 PRO 20 1HB PRO 20 8.614 6.372 -18.207
134 HB3 PRO 20 2HB PRO 20 7.410 5.963 -16.979
135 HG2 PRO 20 1HG PRO 20 9.680 7.908 -16.830
136 HG3 PRO 20 2HG PRO 20 8.010 8.092 -16.263
137 HD2 PRO 20 1HD PRO 20 10.056 7.485 -14.596
138 HD3 PRO 20 2HD PRO 20 8.402 6.898 -14.330
139 H ARG 21 H ARG 21 11.670 6.020 -16.245
140 HA ARG 21 HA ARG 21 12.724 5.823 -18.859
141 HB2 ARG 21 1HB ARG 21 13.816 6.424 -16.156
142 HB3 ARG 21 2HB ARG 21 14.962 5.968 -17.410
143 HG2 ARG 21 1HG ARG 21 14.713 8.389 -17.240
144 HG3 ARG 21 2HG ARG 21 14.188 7.788 -18.814
145 HD2 ARG 21 1HD ARG 21 12.190 8.110 -16.620
146 HD3 ARG 21 2HD ARG 21 12.740 9.532 -17.505
147 HE ARG 21 HE ARG 21 10.952 7.516 -18.441
148 HH11 ARG 21 1HH1 ARG 21 13.404 9.776 -19.444
149 HH12 ARG 21 2HH1 ARG 21 12.801 9.911 -21.063
150 HH21 ARG 21 1HH2 ARG 21 10.149 7.686 -20.569
151 HH22 ARG 21 2HH2 ARG 21 10.949 8.722 -21.702
152 H GLU 22 H GLU 22 12.446 3.559 -16.272
153 HA GLU 22 HA GLU 22 14.409 1.753 -17.467
154 HB2 GLU 22 1HB GLU 22 12.757 1.327 -14.974
155 HB3 GLU 22 2HB GLU 22 14.172 0.414 -15.479
156 HG2 GLU 22 1HG GLU 22 14.260 3.348 -14.844
157 HG3 GLU 22 2HG GLU 22 14.531 2.089 -13.640
158 H GLY 23 H GLY 23 11.793 2.432 -18.720
159 HA2 GLY 23 1HA GLY 23 10.257 1.302 -20.004
160 HA3 GLY 23 2HA GLY 23 11.115 -0.179 -19.606
161 H PHE 24 H PHE 24 10.029 1.706 -16.956
162 HA PHE 24 HA PHE 24 7.565 0.147 -16.701
163 HB2 PHE 24 1HB PHE 24 9.651 0.335 -14.517
164 HB3 PHE 24 2HB PHE 24 8.090 -0.469 -14.392
165 HD1 PHE 24 HD1 PHE 24 7.727 -2.185 -16.492
166 HD2 PHE 24 HD2 PHE 24 11.438 -1.068 -14.733
167 HE1 PHE 24 HE1 PHE 24 8.738 -4.276 -17.305
168 HE2 PHE 24 HE2 PHE 24 12.455 -3.156 -15.543
169 HZ PHE 24 HZ PHE 24 11.106 -4.763 -16.832
170 HA PRO 25 HA PRO 25 6.860 4.567 -15.658
171 HB2 PRO 25 1HB PRO 25 4.380 4.647 -16.761
172 HB3 PRO 25 2HB PRO 25 5.858 4.887 -17.701
173 HG2 PRO 25 1HG PRO 25 4.178 2.427 -17.410
174 HG3 PRO 25 2HG PRO 25 4.920 3.109 -18.869
175 HD2 PRO 25 1HD PRO 25 6.001 1.021 -17.525
176 HD3 PRO 25 2HD PRO 25 6.990 2.218 -18.385
177 H ALA 26 H ALA 26 4.615 5.470 -14.750
178 HA ALA 26 HA ALA 26 4.240 4.370 -12.232
179 HB1 ALA 26 1HB ALA 26 3.363 6.625 -13.557
180 HB2 ALA 26 2HB ALA 26 1.873 5.754 -13.189
181 HB3 ALA 26 3HB ALA 26 2.988 6.182 -11.891
182 H GLY 27 H GLY 27 2.891 2.879 -11.358
183 HA2 GLY 27 1HA GLY 27 0.831 1.621 -11.372
184 HA3 GLY 27 2HA GLY 27 0.887 1.640 -13.128
185 H THR 28 H THR 28 3.697 0.957 -13.294
186 HA THR 28 HA THR 28 3.561 -1.787 -13.536
187 HB THR 28 HB THR 28 6.079 -0.225 -12.934
188 HG1 THR 28 HG1 THR 28 6.093 -0.392 -15.401
189 HG21 THR 28 3HG2 THR 28 7.199 -2.115 -13.316
190 HG22 THR 28 1HG2 THR 28 6.332 -2.380 -14.827
191 HG23 THR 28 2HG2 THR 28 5.659 -2.973 -13.309
192 H ARG 29 H ARG 29 3.811 -3.498 -12.216
193 HA ARG 29 HA ARG 29 4.431 -2.940 -9.392
194 HB2 ARG 29 1HB ARG 29 3.194 -5.165 -9.028
195 HB3 ARG 29 2HB ARG 29 2.234 -3.748 -9.436
196 HG2 ARG 29 1HG ARG 29 3.156 -5.464 -11.669
197 HG3 ARG 29 2HG ARG 29 1.883 -6.090 -10.619
198 HD2 ARG 29 1HD ARG 29 1.647 -3.310 -11.658
199 HD3 ARG 29 2HD ARG 29 1.318 -4.652 -12.753
200 HE ARG 29 HE ARG 29 -0.310 -3.768 -10.556
201 HH11 ARG 29 1HH1 ARG 29 0.512 -6.456 -12.610
202 HH12 ARG 29 2HH1 ARG 29 -0.999 -7.269 -12.371
203 HH21 ARG 29 1HH2 ARG 29 -2.303 -4.828 -10.234
204 HH22 ARG 29 2HH2 ARG 29 -2.600 -6.341 -11.020
205 H TRP 30 H TRP 30 5.549 -4.643 -8.205
206 HA TRP 30 HA TRP 30 7.865 -5.526 -9.564
207 HB2 TRP 30 1HB TRP 30 8.432 -6.651 -7.450
208 HB3 TRP 30 2HB TRP 30 7.885 -5.000 -7.176
209 HD1 TRP 30 HD1 TRP 30 5.437 -4.695 -6.052
210 HE1 TRP 30 HE1 TRP 30 4.069 -6.271 -4.547
211 HE3 TRP 30 HE3 TRP 30 7.904 -9.071 -7.004
212 HZ2 TRP 30 HZ2 TRP 30 4.039 -9.007 -3.854
213 HZ3 TRP 30 HZ3 TRP 30 7.142 -11.122 -5.878
214 HH2 TRP 30 HH2 TRP 30 5.250 -11.089 -4.336
215 H ASP 31 H ASP 31 4.755 -6.836 -9.350
216 HA ASP 31 HA ASP 31 5.570 -9.600 -9.654
217 HB2 ASP 31 1HB ASP 31 3.548 -9.172 -8.400
218 HB3 ASP 31 2HB ASP 31 2.856 -8.270 -9.746
219 H GLN 32 H GLN 32 4.716 -6.910 -11.659
220 HA GLN 32 HA GLN 32 4.061 -8.411 -13.996
221 HB2 GLN 32 1HB GLN 32 3.335 -6.056 -13.571
222 HB3 GLN 32 2HB GLN 32 4.998 -5.543 -13.824
223 HG2 GLN 32 1HG GLN 32 4.112 -5.156 -15.890
224 HG3 GLN 32 2HG GLN 32 4.723 -6.796 -16.100
225 HE21 GLN 32 2HE2 GLN 32 3.172 -8.552 -15.796
226 HE22 GLN 32 1HE2 GLN 32 1.527 -8.296 -16.257
227 H ILE 33 H ILE 33 7.003 -7.345 -12.529
228 HA ILE 33 HA ILE 33 8.755 -7.189 -14.652
229 HB ILE 33 HB ILE 33 9.334 -8.439 -11.963
230 HG12 ILE 33 1HG1 ILE 33 8.370 -6.188 -11.760
231 HG13 ILE 33 2HG1 ILE 33 10.070 -6.193 -11.302
232 HG21 ILE 33 1HG2 ILE 33 11.039 -8.883 -13.690
233 HG22 ILE 33 2HG2 ILE 33 11.211 -7.145 -13.936
234 HG23 ILE 33 3HG2 ILE 33 11.644 -7.863 -12.385
235 HD11 ILE 33 3HD1 ILE 33 9.852 -5.611 -14.084
236 HD12 ILE 33 1HD1 ILE 33 8.780 -4.547 -13.174
237 HD13 ILE 33 2HD1 ILE 33 10.498 -4.613 -12.782
238 HA PRO 34 HA PRO 34 8.694 -11.246 -16.414
239 HB2 PRO 34 1HB PRO 34 10.900 -10.980 -17.973
240 HB3 PRO 34 2HB PRO 34 9.349 -10.230 -18.367
241 HG2 PRO 34 1HG PRO 34 11.766 -9.019 -17.080
242 HG3 PRO 34 2HG PRO 34 10.714 -8.348 -18.340
243 HD2 PRO 34 1HD PRO 34 10.507 -7.634 -15.737
244 HD3 PRO 34 2HD PRO 34 9.106 -7.692 -16.825
245 H ASP 35 H ASP 35 9.416 -13.127 -15.644
246 HA ASP 35 HA ASP 35 11.538 -13.231 -13.740
247 HB2 ASP 35 1HB ASP 35 11.006 -15.545 -13.502
248 HB3 ASP 35 2HB ASP 35 9.480 -14.695 -13.736
249 H ASP 36 H ASP 36 11.396 -13.477 -17.135
250 HA ASP 36 HA ASP 36 13.720 -15.140 -17.461
251 HB2 ASP 36 1HB ASP 36 12.153 -13.426 -19.394
252 HB3 ASP 36 2HB ASP 36 13.541 -14.403 -19.866
253 H TRP 37 H TRP 37 13.160 -11.857 -16.779
254 HA TRP 37 HA TRP 37 15.207 -10.515 -18.050
255 HB2 TRP 37 1HB TRP 37 13.358 -9.833 -16.185
256 HB3 TRP 37 2HB TRP 37 14.823 -9.801 -15.208
257 HD1 TRP 37 HD1 TRP 37 16.074 -7.572 -15.227
258 HE1 TRP 37 HE1 TRP 37 16.138 -5.504 -16.758
259 HE3 TRP 37 HE3 TRP 37 13.004 -9.233 -18.963
260 HZ2 TRP 37 HZ2 TRP 37 15.033 -4.686 -19.223
261 HZ3 TRP 37 HZ3 TRP 37 12.559 -7.746 -20.872
262 HH2 TRP 37 HH2 TRP 37 13.553 -5.520 -20.997
263 H CYS 38 H CYS 38 17.371 -10.347 -17.822
264 HA CYS 38 HA CYS 38 18.628 -11.906 -15.661
265 HB2 CYS 38 1HB CYS 38 18.876 -12.986 -17.878
266 HB3 CYS 38 2HB CYS 38 19.668 -11.534 -18.477
267 HG CYS 38 HG CYS 38 20.935 -13.278 -15.832
268 H CYS 39 H CYS 39 19.847 -10.750 -14.331
269 HA CYS 39 HA CYS 39 20.814 -8.125 -15.244
270 HB2 CYS 39 1HB CYS 39 19.609 -9.067 -12.750
271 HB3 CYS 39 2HB CYS 39 21.083 -8.141 -12.495
272 HG CYS 39 HG CYS 39 18.388 -7.015 -14.280
273 HA PRO 40 HA PRO 40 25.023 -9.252 -14.753
274 HB2 PRO 40 1HB PRO 40 26.107 -7.042 -13.608
275 HB3 PRO 40 2HB PRO 40 25.574 -7.088 -15.293
276 HG2 PRO 40 1HG PRO 40 24.166 -5.990 -12.890
277 HG3 PRO 40 2HG PRO 40 24.309 -5.298 -14.517
278 HD2 PRO 40 1HD PRO 40 22.088 -6.600 -13.678
279 HD3 PRO 40 2HD PRO 40 22.631 -6.630 -15.368
280 H ASP 41 H ASP 41 23.864 -7.574 -11.823
281 HA ASP 41 HA ASP 41 25.678 -9.042 -10.134
282 HB2 ASP 41 1HB ASP 41 23.813 -6.793 -9.835
283 HB3 ASP 41 2HB ASP 41 23.892 -7.849 -8.428
284 H CYS 42 H CYS 42 22.132 -8.874 -10.454
285 HA CYS 42 HA CYS 42 21.492 -10.865 -8.624
286 HB2 CYS 42 1HB CYS 42 19.815 -9.375 -9.599
287 HB3 CYS 42 2HB CYS 42 20.047 -10.121 -11.176
288 HG CYS 42 HG CYS 42 18.436 -12.112 -10.854
289 H SER 43 H SER 43 22.873 -11.117 -11.765
290 HA SER 43 HA SER 43 22.090 -13.603 -12.645
291 HB2 SER 43 1HB SER 43 23.471 -12.630 -14.188
292 HB3 SER 43 2HB SER 43 24.546 -11.960 -12.960
293 HG SER 43 HG SER 43 24.413 -14.690 -13.734
294 H VAL 44 H VAL 44 24.299 -12.795 -10.059
295 HA VAL 44 HA VAL 44 24.683 -15.671 -9.536
296 HB VAL 44 HB VAL 44 26.743 -15.064 -8.324
297 HG11 VAL 44 1HG1 VAL 44 27.277 -13.789 -10.907
298 HG12 VAL 44 2HG1 VAL 44 27.960 -15.254 -10.199
299 HG13 VAL 44 3HG1 VAL 44 26.397 -15.313 -11.016
300 HG21 VAL 44 3HG2 VAL 44 27.679 -12.818 -8.541
301 HG22 VAL 44 1HG2 VAL 44 26.230 -12.291 -9.397
302 HG23 VAL 44 2HG2 VAL 44 26.126 -12.779 -7.705
303 H ARG 45 H ARG 45 22.499 -13.826 -8.669
304 HA ARG 45 HA ARG 45 22.634 -14.485 -5.829
305 HB2 ARG 45 1HB ARG 45 22.092 -11.714 -6.902
306 HB3 ARG 45 2HB ARG 45 21.714 -12.213 -5.258
307 HG2 ARG 45 1HG ARG 45 24.487 -12.503 -6.342
308 HG3 ARG 45 2HG ARG 45 23.914 -10.959 -5.707
309 HD2 ARG 45 1HD ARG 45 24.906 -11.947 -3.856
310 HD3 ARG 45 2HD ARG 45 23.199 -12.334 -3.644
311 HE ARG 45 HE ARG 45 24.677 -14.359 -5.049
312 HH11 ARG 45 1HH1 ARG 45 23.739 -13.149 -1.923
313 HH12 ARG 45 2HH1 ARG 45 23.934 -14.676 -1.128
314 HH21 ARG 45 1HH2 ARG 45 24.938 -16.375 -4.015
315 HH22 ARG 45 2HH2 ARG 45 24.617 -16.510 -2.319
316 H GLU 46 H GLU 46 20.726 -15.164 -5.020
317 HA GLU 46 HA GLU 46 18.598 -15.770 -6.765
318 HB2 GLU 46 1HB GLU 46 18.554 -15.687 -3.743
319 HB3 GLU 46 2HB GLU 46 17.415 -16.538 -4.778
320 HG2 GLU 46 1HG GLU 46 20.324 -17.155 -4.349
321 HG3 GLU 46 2HG GLU 46 18.930 -18.139 -3.905
322 H LYS 47 H LYS 47 16.628 -14.836 -7.105
323 HA LYS 47 HA LYS 47 16.402 -12.043 -6.790
324 HB2 LYS 47 1HB LYS 47 15.219 -13.804 -8.419
325 HB3 LYS 47 2HB LYS 47 13.943 -13.662 -7.217
326 HG2 LYS 47 1HG LYS 47 13.414 -11.557 -7.826
327 HG3 LYS 47 2HG LYS 47 15.084 -11.128 -8.202
328 HD2 LYS 47 1HD LYS 47 14.911 -11.801 -10.359
329 HD3 LYS 47 2HD LYS 47 13.820 -13.132 -9.967
330 HE2 LYS 47 1HE LYS 47 13.065 -10.212 -10.050
331 HE3 LYS 47 2HE LYS 47 12.726 -11.390 -11.317
332 HZ1 LYS 47 3HZ LYS 47 11.609 -12.653 -9.335
333 HZ2 LYS 47 1HZ LYS 47 10.777 -11.436 -10.166
334 HZ3 LYS 47 2HZ LYS 47 11.498 -11.100 -8.673
335 H VAL 48 H VAL 48 15.172 -14.754 -4.928
336 HA VAL 48 HA VAL 48 13.432 -13.188 -3.285
337 HB VAL 48 HB VAL 48 13.140 -15.637 -3.663
338 HG11 VAL 48 1HG1 VAL 48 14.644 -17.186 -3.042
339 HG12 VAL 48 2HG1 VAL 48 15.783 -15.837 -3.063
340 HG13 VAL 48 3HG1 VAL 48 15.042 -16.345 -1.544
341 HG21 VAL 48 3HG2 VAL 48 13.364 -15.575 -0.760
342 HG22 VAL 48 1HG2 VAL 48 12.601 -14.131 -1.425
343 HG23 VAL 48 2HG2 VAL 48 11.935 -15.725 -1.782
344 H ASP 49 H ASP 49 16.758 -13.463 -3.437
345 HA ASP 49 HA ASP 49 17.511 -13.464 -0.727
346 HB2 ASP 49 1HB ASP 49 19.036 -13.808 -2.704
347 HB3 ASP 49 2HB ASP 49 18.967 -12.069 -2.978
348 H PHE 50 H PHE 50 15.993 -11.080 -2.642
349 HA PHE 50 HA PHE 50 16.901 -8.700 -1.547
350 HB2 PHE 50 1HB PHE 50 14.280 -9.557 -2.721
351 HB3 PHE 50 2HB PHE 50 14.431 -7.957 -2.002
352 HD1 PHE 50 HD1 PHE 50 16.603 -10.062 -4.192
353 HD2 PHE 50 HD2 PHE 50 14.661 -6.324 -3.586
354 HE1 PHE 50 HE1 PHE 50 17.581 -9.219 -6.286
355 HE2 PHE 50 HE2 PHE 50 15.634 -5.475 -5.680
356 HZ PHE 50 HZ PHE 50 17.096 -6.923 -7.033
357 H GLU 51 H GLU 51 15.485 -7.240 -0.119
358 HA GLU 51 HA GLU 51 14.431 -8.776 2.160
359 HB2 GLU 51 1HB GLU 51 15.408 -6.933 3.618
360 HB3 GLU 51 2HB GLU 51 16.551 -8.071 2.919
361 HG2 GLU 51 1HG GLU 51 17.023 -6.427 1.130
362 HG3 GLU 51 2HG GLU 51 15.968 -5.281 1.956
363 H ARG 52 H ARG 52 12.317 -8.369 2.172
364 HA ARG 52 HA ARG 52 11.071 -6.117 1.063
365 HB2 ARG 52 1HB ARG 52 9.065 -6.866 2.344
366 HB3 ARG 52 2HB ARG 52 9.819 -8.140 1.395
367 HG2 ARG 52 1HG ARG 52 10.867 -9.044 3.379
368 HG3 ARG 52 2HG ARG 52 10.212 -7.725 4.351
369 HD2 ARG 52 1HD ARG 52 7.918 -8.513 3.564
370 HD3 ARG 52 2HD ARG 52 8.737 -9.971 3.006
371 HE ARG 52 HE ARG 52 9.304 -9.340 5.744
372 HH11 ARG 52 1HH1 ARG 52 7.041 -10.878 3.590
373 HH12 ARG 52 2HH1 ARG 52 6.418 -11.949 4.801
374 HH21 ARG 52 1HH2 ARG 52 8.491 -10.745 7.346
375 HH22 ARG 52 2HH2 ARG 52 7.242 -11.873 6.937
376 H MET 53 H MET 53 10.314 -4.216 1.915
377 HA MET 53 HA MET 53 11.335 -3.525 4.588
378 HB2 MET 53 1HB MET 53 10.955 -1.929 2.080
379 HB3 MET 53 2HB MET 53 10.949 -1.119 3.641
380 HG2 MET 53 1HG MET 53 13.182 -2.888 2.682
381 HG3 MET 53 2HG MET 53 13.148 -1.139 2.470
382 HE1 MET 53 3HE MET 53 14.592 0.343 5.125
383 HE2 MET 53 1HE MET 53 13.332 0.471 3.897
384 HE3 MET 53 2HE MET 53 12.894 0.382 5.603
385 H GLY 54 H GLY 54 9.941 -3.002 6.156
386 HA2 GLY 54 1HA GLY 54 7.777 -1.551 6.361
387 HA3 GLY 54 2HA GLY 54 7.093 -2.896 5.461
388 H GLY 55 H GLY 55 6.932 -1.720 8.350
389 HA2 GLY 55 1HA GLY 55 7.652 -4.051 9.930
390 HA3 GLY 55 2HA GLY 55 6.963 -2.551 10.534
391 H LYS 56 H LYS 56 4.629 -2.178 9.683
392 HA LYS 56 HA LYS 56 3.014 -4.225 10.740
393 HB2 LYS 56 1HB LYS 56 1.118 -2.890 9.935
394 HB3 LYS 56 2HB LYS 56 2.317 -1.885 10.741
395 HG2 LYS 56 1HG LYS 56 2.001 -0.571 8.944
396 HG3 LYS 56 2HG LYS 56 3.177 -1.664 8.210
397 HD2 LYS 56 1HD LYS 56 1.553 -1.766 6.616
398 HD3 LYS 56 2HD LYS 56 0.976 -3.054 7.677
399 HE2 LYS 56 1HE LYS 56 -0.945 -1.821 7.344
400 HE3 LYS 56 2HE LYS 56 -0.333 -1.132 8.846
401 HZ1 LYS 56 3HZ LYS 56 0.007 0.837 7.884
402 HZ2 LYS 56 1HZ LYS 56 -1.004 0.281 6.646
403 HZ3 LYS 56 2HZ LYS 56 0.675 0.163 6.483
Start of MODEL 6
1 H1 MET 1 H MET 1 1.491 -1.950 1.301
2 HA MET 1 HA MET 1 1.022 -2.896 -1.437
3 HB2 MET 1 1HB MET 1 2.349 -0.308 -0.633
4 HB3 MET 1 2HB MET 1 2.548 -1.030 -2.224
5 HG2 MET 1 1HG MET 1 0.026 -0.971 -2.415
6 HG3 MET 1 2HG MET 1 0.042 0.049 -0.977
7 HE1 MET 1 3HE MET 1 -0.440 -0.001 -4.425
8 HE2 MET 1 1HE MET 1 0.369 1.371 -5.182
9 HE3 MET 1 2HE MET 1 1.271 -0.106 -4.844
10 H THR 2 H THR 2 3.000 -3.501 -2.572
11 HA THR 2 HA THR 2 4.898 -4.730 -0.733
12 HB THR 2 HB THR 2 4.546 -5.069 -3.718
13 HG1 THR 2 HG1 THR 2 3.649 -6.468 -1.440
14 HG21 THR 2 3HG2 THR 2 6.811 -5.556 -3.310
15 HG22 THR 2 1HG2 THR 2 6.005 -7.123 -3.267
16 HG23 THR 2 2HG2 THR 2 6.456 -6.322 -1.762
17 H ALA 3 H ALA 3 7.100 -4.374 -0.756
18 HA ALA 3 HA ALA 3 8.233 -2.457 -2.623
19 HB1 ALA 3 1HB ALA 3 8.225 -1.939 0.349
20 HB2 ALA 3 2HB ALA 3 9.117 -1.007 -0.855
21 HB3 ALA 3 3HB ALA 3 7.354 -1.014 -0.875
22 H TYR 4 H TYR 4 10.040 -3.384 -3.302
23 HA TYR 4 HA TYR 4 11.612 -4.980 -1.389
24 HB2 TYR 4 1HB TYR 4 11.091 -5.318 -4.324
25 HB3 TYR 4 2HB TYR 4 12.551 -5.987 -3.606
26 HD1 TYR 4 HD2 TYR 4 12.414 -7.812 -1.979
27 HD2 TYR 4 HD1 TYR 4 8.921 -6.263 -3.851
28 HE1 TYR 4 HE2 TYR 4 11.154 -9.797 -1.257
29 HE2 TYR 4 HE1 TYR 4 7.651 -8.244 -3.134
30 HH TYR 4 HH TYR 4 7.991 -10.495 -2.433
31 H ARG 5 H ARG 5 13.726 -4.520 -1.094
32 HA ARG 5 HA ARG 5 15.028 -2.609 -2.893
33 HB2 ARG 5 1HB ARG 5 14.165 -1.235 -1.100
34 HB3 ARG 5 2HB ARG 5 14.837 -2.322 0.109
35 HG2 ARG 5 1HG ARG 5 16.630 -1.024 0.163
36 HG3 ARG 5 2HG ARG 5 17.005 -1.571 -1.472
37 HD2 ARG 5 1HD ARG 5 16.306 0.357 -2.420
38 HD3 ARG 5 2HD ARG 5 14.993 0.572 -1.264
39 HE ARG 5 HE ARG 5 17.662 1.628 -1.076
40 HH11 ARG 5 1HH1 ARG 5 14.801 0.722 0.689
41 HH12 ARG 5 2HH1 ARG 5 15.139 1.766 2.029
42 HH21 ARG 5 1HH2 ARG 5 18.118 3.007 0.683
43 HH22 ARG 5 2HH2 ARG 5 17.026 3.066 2.024
44 H CYS 6 H CYS 6 16.579 -3.922 -3.670
45 HA CYS 6 HA CYS 6 18.635 -4.815 -1.841
46 HB2 CYS 6 1HB CYS 6 16.739 -6.648 -2.290
47 HB3 CYS 6 2HB CYS 6 17.721 -6.930 -3.722
48 HG CYS 6 HG CYS 6 18.210 -7.955 -0.645
49 HA PRO 7 HA PRO 7 20.307 -3.192 -5.789
50 HB2 PRO 7 1HB PRO 7 22.457 -2.008 -4.628
51 HB3 PRO 7 2HB PRO 7 20.870 -1.235 -4.725
52 HG2 PRO 7 1HG PRO 7 22.132 -2.690 -2.433
53 HG3 PRO 7 2HG PRO 7 21.212 -1.175 -2.425
54 HD2 PRO 7 1HD PRO 7 20.119 -3.547 -1.710
55 HD3 PRO 7 2HD PRO 7 19.181 -2.262 -2.497
56 H VAL 8 H VAL 8 21.443 -5.324 -3.356
57 HA VAL 8 HA VAL 8 24.017 -5.929 -4.272
58 HB VAL 8 HB VAL 8 22.045 -7.802 -2.955
59 HG11 VAL 8 1HG1 VAL 8 23.663 -9.265 -3.594
60 HG12 VAL 8 2HG1 VAL 8 24.914 -8.022 -3.671
61 HG13 VAL 8 3HG1 VAL 8 24.411 -8.674 -2.110
62 HG21 VAL 8 3HG2 VAL 8 22.222 -6.186 -1.358
63 HG22 VAL 8 1HG2 VAL 8 23.667 -7.119 -0.967
64 HG23 VAL 8 2HG2 VAL 8 23.802 -5.643 -1.923
65 H CYS 9 H CYS 9 20.944 -6.636 -5.620
66 HA CYS 9 HA CYS 9 22.192 -8.516 -7.515
67 HB2 CYS 9 1HB CYS 9 19.228 -8.425 -7.140
68 HB3 CYS 9 2HB CYS 9 20.253 -9.772 -7.623
69 HG CYS 9 HG CYS 9 21.372 -9.850 -4.908
70 H ASP 10 H ASP 10 19.484 -6.205 -7.283
71 HA ASP 10 HA ASP 10 20.330 -4.954 -9.761
72 HB2 ASP 10 1HB ASP 10 18.171 -5.219 -10.870
73 HB3 ASP 10 2HB ASP 10 18.877 -6.795 -10.523
74 H TYR 11 H TYR 11 19.078 -2.982 -10.234
75 HA TYR 11 HA TYR 11 18.950 -1.229 -8.145
76 HB2 TYR 11 1HB TYR 11 17.539 -1.267 -10.796
77 HB3 TYR 11 2HB TYR 11 17.250 0.039 -9.652
78 HD1 TYR 11 HD2 TYR 11 19.428 1.190 -8.712
79 HD2 TYR 11 HD1 TYR 11 19.255 -1.042 -12.331
80 HE1 TYR 11 HE2 TYR 11 21.446 2.344 -9.514
81 HE2 TYR 11 HE1 TYR 11 21.274 0.105 -13.142
82 HH TYR 11 HH TYR 11 23.355 1.711 -11.262
83 H THR 12 H THR 12 17.161 -0.184 -7.058
84 HA THR 12 HA THR 12 15.006 -2.091 -6.444
85 HB THR 12 HB THR 12 14.845 -1.182 -4.277
86 HG1 THR 12 HG1 THR 12 16.496 0.953 -5.199
87 HG21 THR 12 3HG2 THR 12 16.818 -1.883 -3.418
88 HG22 THR 12 1HG2 THR 12 17.767 -0.813 -4.447
89 HG23 THR 12 2HG2 THR 12 17.149 -2.334 -5.090
90 H TYR 13 H TYR 13 12.917 -1.546 -6.723
91 HA TYR 13 HA TYR 13 12.164 1.237 -7.115
92 HB2 TYR 13 1HB TYR 13 11.663 -0.879 -9.218
93 HB3 TYR 13 2HB TYR 13 10.997 0.750 -9.239
94 HD1 TYR 13 HD1 TYR 13 12.843 2.664 -9.025
95 HD2 TYR 13 HD2 TYR 13 13.564 -1.275 -10.462
96 HE1 TYR 13 HE1 TYR 13 14.838 3.470 -10.215
97 HE2 TYR 13 HE2 TYR 13 15.562 -0.480 -11.656
98 HH TYR 13 HH TYR 13 16.721 1.325 -12.306
99 H ASP 14 H ASP 14 10.618 1.426 -5.632
100 HA ASP 14 HA ASP 14 8.967 -0.730 -4.782
101 HB2 ASP 14 1HB ASP 14 9.532 1.091 -3.262
102 HB3 ASP 14 2HB ASP 14 8.711 2.247 -4.308
103 H GLU 15 H GLU 15 6.672 -0.906 -4.980
104 HA GLU 15 HA GLU 15 5.693 -0.759 -7.562
105 HB2 GLU 15 1HB GLU 15 4.279 -0.908 -4.906
106 HB3 GLU 15 2HB GLU 15 3.402 -0.940 -6.430
107 HG2 GLU 15 1HG GLU 15 4.725 -2.924 -7.095
108 HG3 GLU 15 2HG GLU 15 5.468 -2.918 -5.497
109 H GLY 16 H GLY 16 5.306 1.547 -4.902
110 HA2 GLY 16 1HA GLY 16 3.733 3.333 -6.579
111 HA3 GLY 16 2HA GLY 16 4.143 3.580 -4.888
112 H LYS 17 H LYS 17 6.810 2.681 -6.767
113 HA LYS 17 HA LYS 17 7.918 5.353 -6.530
114 HB2 LYS 17 1HB LYS 17 9.043 2.952 -6.143
115 HB3 LYS 17 2HB LYS 17 9.450 3.170 -7.840
116 HG2 LYS 17 1HG LYS 17 11.290 4.013 -6.693
117 HG3 LYS 17 2HG LYS 17 10.368 5.450 -7.144
118 HD2 LYS 17 1HD LYS 17 9.405 5.556 -4.912
119 HD3 LYS 17 2HD LYS 17 10.258 4.079 -4.456
120 HE2 LYS 17 1HE LYS 17 12.402 5.236 -4.877
121 HE3 LYS 17 2HE LYS 17 11.509 6.714 -5.229
122 HZ1 LYS 17 3HZ LYS 17 10.507 6.268 -2.886
123 HZ2 LYS 17 1HZ LYS 17 12.024 7.002 -3.033
124 HZ3 LYS 17 2HZ LYS 17 11.913 5.357 -2.658
125 H GLY 18 H GLY 18 7.338 2.976 -9.117
126 HA2 GLY 18 1HA GLY 18 6.552 3.510 -11.274
127 HA3 GLY 18 2HA GLY 18 6.996 5.188 -10.996
128 H ASP 19 H ASP 19 9.092 5.876 -11.417
129 HA ASP 19 HA ASP 19 11.078 5.931 -12.523
130 HB2 ASP 19 1HB ASP 19 11.024 3.217 -11.313
131 HB3 ASP 19 2HB ASP 19 12.235 3.514 -12.557
132 HA PRO 20 HA PRO 20 9.004 4.253 -16.322
133 HB2 PRO 20 1HB PRO 20 9.062 6.605 -17.675
134 HB3 PRO 20 2HB PRO 20 7.755 6.164 -16.570
135 HG2 PRO 20 1HG PRO 20 10.123 7.932 -16.093
136 HG3 PRO 20 2HG PRO 20 8.432 8.173 -15.615
137 HD2 PRO 20 1HD PRO 20 10.320 7.280 -13.891
138 HD3 PRO 20 2HD PRO 20 8.619 6.782 -13.787
139 H ARG 21 H ARG 21 11.957 5.838 -15.557
140 HA ARG 21 HA ARG 21 13.184 5.865 -18.093
141 HB2 ARG 21 1HB ARG 21 14.134 5.986 -15.271
142 HB3 ARG 21 2HB ARG 21 15.318 5.633 -16.523
143 HG2 ARG 21 1HG ARG 21 15.320 7.985 -16.103
144 HG3 ARG 21 2HG ARG 21 14.618 7.702 -17.697
145 HD2 ARG 21 1HD ARG 21 12.460 8.186 -16.966
146 HD3 ARG 21 2HD ARG 21 12.876 7.930 -15.271
147 HE ARG 21 HE ARG 21 13.181 10.353 -16.785
148 HH11 ARG 21 1HH1 ARG 21 14.315 8.531 -14.044
149 HH12 ARG 21 2HH1 ARG 21 14.900 9.923 -13.195
150 HH21 ARG 21 1HH2 ARG 21 13.947 12.194 -15.678
151 HH22 ARG 21 2HH2 ARG 21 14.690 12.006 -14.125
152 H GLU 22 H GLU 22 12.543 3.322 -15.851
153 HA GLU 22 HA GLU 22 14.426 1.513 -17.165
154 HB2 GLU 22 1HB GLU 22 12.830 1.415 -14.637
155 HB3 GLU 22 2HB GLU 22 13.363 -0.091 -15.370
156 HG2 GLU 22 1HG GLU 22 14.840 0.938 -13.573
157 HG3 GLU 22 2HG GLU 22 15.615 0.413 -15.066
158 H GLY 23 H GLY 23 11.964 2.579 -18.460
159 HA2 GLY 23 1HA GLY 23 10.430 1.765 -19.966
160 HA3 GLY 23 2HA GLY 23 11.134 0.174 -19.719
161 H PHE 24 H PHE 24 10.086 1.718 -16.869
162 HA PHE 24 HA PHE 24 7.481 0.372 -16.969
163 HB2 PHE 24 1HB PHE 24 9.436 0.154 -14.670
164 HB3 PHE 24 2HB PHE 24 7.812 -0.524 -14.710
165 HD1 PHE 24 HD2 PHE 24 7.547 -1.821 -17.210
166 HD2 PHE 24 HD1 PHE 24 11.005 -1.510 -14.749
167 HE1 PHE 24 HE2 PHE 24 8.435 -3.890 -18.202
168 HE2 PHE 24 HE1 PHE 24 11.899 -3.577 -15.738
169 HZ PHE 24 HZ PHE 24 10.613 -4.771 -17.466
170 HA PRO 25 HA PRO 25 6.998 4.686 -15.459
171 HB2 PRO 25 1HB PRO 25 4.607 5.068 -16.687
172 HB3 PRO 25 2HB PRO 25 6.156 5.305 -17.505
173 HG2 PRO 25 1HG PRO 25 4.303 2.955 -17.600
174 HG3 PRO 25 2HG PRO 25 5.182 3.741 -18.924
175 HD2 PRO 25 1HD PRO 25 6.034 1.443 -17.773
176 HD3 PRO 25 2HD PRO 25 7.154 2.654 -18.429
177 H ALA 26 H ALA 26 4.789 5.647 -14.558
178 HA ALA 26 HA ALA 26 4.175 4.330 -12.212
179 HB1 ALA 26 1HB ALA 26 3.509 6.492 -12.079
180 HB2 ALA 26 2HB ALA 26 2.934 6.535 -13.746
181 HB3 ALA 26 3HB ALA 26 1.950 5.778 -12.494
182 H GLY 27 H GLY 27 2.845 2.719 -11.627
183 HA2 GLY 27 1HA GLY 27 0.686 1.606 -11.872
184 HA3 GLY 27 2HA GLY 27 0.871 1.776 -13.611
185 H THR 28 H THR 28 3.863 1.039 -12.594
186 HA THR 28 HA THR 28 3.538 -1.759 -13.327
187 HB THR 28 HB THR 28 6.064 -0.172 -12.829
188 HG1 THR 28 HG1 THR 28 4.602 0.305 -14.731
189 HG21 THR 28 3HG2 THR 28 6.764 -2.252 -14.426
190 HG22 THR 28 1HG2 THR 28 5.537 -3.008 -13.410
191 HG23 THR 28 2HG2 THR 28 6.945 -2.244 -12.672
192 H ARG 29 H ARG 29 4.110 -3.495 -12.050
193 HA ARG 29 HA ARG 29 4.713 -2.891 -9.230
194 HB2 ARG 29 1HB ARG 29 3.389 -5.057 -8.775
195 HB3 ARG 29 2HB ARG 29 2.487 -3.591 -9.137
196 HG2 ARG 29 1HG ARG 29 3.179 -5.310 -11.435
197 HG3 ARG 29 2HG ARG 29 1.989 -5.944 -10.295
198 HD2 ARG 29 1HD ARG 29 1.467 -3.173 -10.903
199 HD3 ARG 29 2HD ARG 29 1.549 -4.136 -12.378
200 HE ARG 29 HE ARG 29 -0.046 -5.589 -10.711
201 HH11 ARG 29 1HH1 ARG 29 -0.090 -2.326 -11.924
202 HH12 ARG 29 2HH1 ARG 29 -1.817 -2.196 -11.885
203 HH21 ARG 29 1HH2 ARG 29 -2.320 -5.431 -10.656
204 HH22 ARG 29 2HH2 ARG 29 -3.085 -3.963 -11.162
205 H TRP 30 H TRP 30 5.628 -4.819 -8.057
206 HA TRP 30 HA TRP 30 7.953 -5.713 -9.381
207 HB2 TRP 30 1HB TRP 30 8.373 -7.032 -7.365
208 HB3 TRP 30 2HB TRP 30 7.825 -5.413 -6.940
209 HD1 TRP 30 HD1 TRP 30 5.214 -5.222 -6.081
210 HE1 TRP 30 HE1 TRP 30 3.787 -6.925 -4.783
211 HE3 TRP 30 HE3 TRP 30 7.942 -9.445 -7.013
212 HZ2 TRP 30 HZ2 TRP 30 3.814 -9.692 -4.226
213 HZ3 TRP 30 HZ3 TRP 30 7.173 -11.579 -6.061
214 HH2 TRP 30 HH2 TRP 30 5.152 -11.698 -4.696
215 H ASP 31 H ASP 31 4.769 -6.872 -9.424
216 HA ASP 31 HA ASP 31 5.445 -9.634 -9.953
217 HB2 ASP 31 1HB ASP 31 3.302 -8.783 -8.818
218 HB3 ASP 31 2HB ASP 31 2.762 -8.354 -10.438
219 H GLN 32 H GLN 32 4.664 -6.748 -11.771
220 HA GLN 32 HA GLN 32 4.160 -7.982 -14.260
221 HB2 GLN 32 1HB GLN 32 4.948 -5.214 -13.417
222 HB3 GLN 32 2HB GLN 32 4.905 -5.638 -15.123
223 HG2 GLN 32 1HG GLN 32 2.565 -6.046 -13.288
224 HG3 GLN 32 2HG GLN 32 2.836 -4.551 -14.182
225 HE21 GLN 32 2HE2 GLN 32 1.753 -7.793 -14.317
226 HE22 GLN 32 1HE2 GLN 32 1.286 -7.807 -15.981
227 H ILE 33 H ILE 33 7.084 -7.174 -12.571
228 HA ILE 33 HA ILE 33 8.945 -7.024 -14.600
229 HB ILE 33 HB ILE 33 9.326 -8.416 -11.946
230 HG12 ILE 33 1HG1 ILE 33 8.473 -6.138 -11.666
231 HG13 ILE 33 2HG1 ILE 33 10.157 -6.236 -11.161
232 HG21 ILE 33 1HG2 ILE 33 11.088 -8.872 -13.613
233 HG22 ILE 33 2HG2 ILE 33 11.361 -7.137 -13.765
234 HG23 ILE 33 3HG2 ILE 33 11.679 -7.948 -12.232
235 HD11 ILE 33 3HD1 ILE 33 10.856 -5.234 -13.260
236 HD12 ILE 33 1HD1 ILE 33 9.178 -5.166 -13.798
237 HD13 ILE 33 2HD1 ILE 33 9.702 -4.201 -12.417
238 HA PRO 34 HA PRO 34 8.761 -10.994 -16.542
239 HB2 PRO 34 1HB PRO 34 11.055 -10.783 -17.979
240 HB3 PRO 34 2HB PRO 34 9.568 -9.933 -18.414
241 HG2 PRO 34 1HG PRO 34 11.976 -8.912 -16.958
242 HG3 PRO 34 2HG PRO 34 11.027 -8.131 -18.237
243 HD2 PRO 34 1HD PRO 34 10.725 -7.518 -15.617
244 HD3 PRO 34 2HD PRO 34 9.380 -7.453 -16.774
245 H ASP 35 H ASP 35 9.304 -12.919 -15.746
246 HA ASP 35 HA ASP 35 11.236 -13.265 -13.727
247 HB2 ASP 35 1HB ASP 35 9.790 -15.270 -15.466
248 HB3 ASP 35 2HB ASP 35 10.829 -15.722 -14.117
249 H ASP 36 H ASP 36 11.534 -13.118 -17.108
250 HA ASP 36 HA ASP 36 14.036 -14.629 -17.141
251 HB2 ASP 36 1HB ASP 36 12.133 -14.686 -18.958
252 HB3 ASP 36 2HB ASP 36 12.930 -13.230 -19.546
253 H TRP 37 H TRP 37 13.677 -11.993 -15.789
254 HA TRP 37 HA TRP 37 15.137 -10.085 -17.364
255 HB2 TRP 37 1HB TRP 37 13.469 -9.387 -15.678
256 HB3 TRP 37 2HB TRP 37 14.490 -10.058 -14.408
257 HD1 TRP 37 HD1 TRP 37 16.174 -8.130 -17.217
258 HE1 TRP 37 HE1 TRP 37 17.077 -5.908 -16.284
259 HE3 TRP 37 HE3 TRP 37 14.026 -8.265 -12.580
260 HZ2 TRP 37 HZ2 TRP 37 16.902 -4.410 -13.898
261 HZ3 TRP 37 HZ3 TRP 37 14.444 -6.398 -11.032
262 HH2 TRP 37 HH2 TRP 37 15.853 -4.512 -11.679
263 H CYS 38 H CYS 38 17.249 -10.188 -17.705
264 HA CYS 38 HA CYS 38 18.942 -11.612 -15.783
265 HB2 CYS 38 1HB CYS 38 19.667 -10.657 -18.558
266 HB3 CYS 38 2HB CYS 38 20.578 -11.773 -17.549
267 HG CYS 38 HG CYS 38 17.980 -12.357 -19.569
268 H CYS 39 H CYS 39 20.343 -10.579 -14.512
269 HA CYS 39 HA CYS 39 20.995 -7.777 -15.139
270 HB2 CYS 39 1HB CYS 39 19.769 -8.921 -12.741
271 HB3 CYS 39 2HB CYS 39 21.183 -7.936 -12.390
272 HG CYS 39 HG CYS 39 20.215 -5.610 -13.439
273 HA PRO 40 HA PRO 40 25.238 -8.735 -14.581
274 HB2 PRO 40 1HB PRO 40 26.181 -6.541 -13.290
275 HB3 PRO 40 2HB PRO 40 25.699 -6.521 -14.991
276 HG2 PRO 40 1HG PRO 40 24.171 -5.621 -12.579
277 HG3 PRO 40 2HG PRO 40 24.327 -4.837 -14.162
278 HD2 PRO 40 1HD PRO 40 22.149 -6.284 -13.461
279 HD3 PRO 40 2HD PRO 40 22.741 -6.198 -15.133
280 H ASP 41 H ASP 41 23.930 -7.261 -11.604
281 HA ASP 41 HA ASP 41 25.758 -8.739 -9.941
282 HB2 ASP 41 1HB ASP 41 23.790 -6.588 -9.582
283 HB3 ASP 41 2HB ASP 41 23.876 -7.713 -8.228
284 H CYS 42 H CYS 42 22.220 -8.709 -10.365
285 HA CYS 42 HA CYS 42 21.615 -10.814 -8.654
286 HB2 CYS 42 1HB CYS 42 19.938 -9.302 -9.675
287 HB3 CYS 42 2HB CYS 42 20.195 -10.091 -11.226
288 HG CYS 42 HG CYS 42 18.063 -10.870 -8.929
289 H SER 43 H SER 43 23.100 -10.848 -11.758
290 HA SER 43 HA SER 43 22.454 -13.317 -12.785
291 HB2 SER 43 1HB SER 43 24.556 -11.393 -13.154
292 HB3 SER 43 2HB SER 43 25.241 -13.018 -13.179
293 HG SER 43 HG SER 43 23.362 -13.446 -14.672
294 H VAL 44 H VAL 44 24.546 -12.548 -10.091
295 HA VAL 44 HA VAL 44 25.045 -15.428 -9.701
296 HB VAL 44 HB VAL 44 26.996 -14.690 -8.286
297 HG11 VAL 44 1HG1 VAL 44 26.889 -15.284 -10.889
298 HG12 VAL 44 2HG1 VAL 44 27.536 -13.646 -11.001
299 HG13 VAL 44 3HG1 VAL 44 28.392 -14.871 -10.063
300 HG21 VAL 44 3HG2 VAL 44 26.962 -12.083 -9.718
301 HG22 VAL 44 1HG2 VAL 44 25.958 -12.263 -8.279
302 HG23 VAL 44 2HG2 VAL 44 27.700 -12.517 -8.176
303 H ARG 45 H ARG 45 22.720 -13.826 -8.830
304 HA ARG 45 HA ARG 45 22.792 -14.607 -6.027
305 HB2 ARG 45 1HB ARG 45 22.546 -11.802 -6.997
306 HB3 ARG 45 2HB ARG 45 21.540 -12.288 -5.639
307 HG2 ARG 45 1HG ARG 45 24.486 -12.806 -5.621
308 HG3 ARG 45 2HG ARG 45 23.835 -11.229 -5.171
309 HD2 ARG 45 1HD ARG 45 23.774 -12.157 -3.113
310 HD3 ARG 45 2HD ARG 45 22.248 -12.818 -3.698
311 HE ARG 45 HE ARG 45 23.186 -14.904 -3.675
312 HH11 ARG 45 1HH1 ARG 45 25.714 -12.517 -3.500
313 HH12 ARG 45 2HH1 ARG 45 26.968 -13.677 -3.207
314 HH21 ARG 45 1HH2 ARG 45 24.828 -16.440 -3.290
315 HH22 ARG 45 2HH2 ARG 45 26.463 -15.908 -3.089
316 H GLU 46 H GLU 46 20.976 -15.636 -5.511
317 HA GLU 46 HA GLU 46 18.886 -16.011 -7.361
318 HB2 GLU 46 1HB GLU 46 19.146 -16.630 -4.424
319 HB3 GLU 46 2HB GLU 46 17.693 -17.019 -5.333
320 HG2 GLU 46 1HG GLU 46 19.092 -18.362 -6.883
321 HG3 GLU 46 2HG GLU 46 20.469 -18.064 -5.824
322 H LYS 47 H LYS 47 16.851 -15.163 -7.519
323 HA LYS 47 HA LYS 47 16.430 -12.503 -6.798
324 HB2 LYS 47 1HB LYS 47 15.214 -14.169 -8.507
325 HB3 LYS 47 2HB LYS 47 14.047 -14.235 -7.193
326 HG2 LYS 47 1HG LYS 47 13.449 -12.034 -7.427
327 HG3 LYS 47 2HG LYS 47 14.993 -11.579 -8.152
328 HD2 LYS 47 1HD LYS 47 14.371 -12.811 -10.193
329 HD3 LYS 47 2HD LYS 47 12.810 -13.199 -9.466
330 HE2 LYS 47 1HE LYS 47 12.759 -11.262 -11.036
331 HE3 LYS 47 2HE LYS 47 12.186 -10.892 -9.410
332 HZ1 LYS 47 3HZ LYS 47 13.960 -9.568 -8.984
333 HZ2 LYS 47 1HZ LYS 47 13.902 -9.358 -10.662
334 HZ3 LYS 47 2HZ LYS 47 15.015 -10.436 -9.982
335 H VAL 48 H VAL 48 15.844 -15.433 -5.046
336 HA VAL 48 HA VAL 48 13.907 -14.546 -3.221
337 HB VAL 48 HB VAL 48 14.623 -16.920 -3.511
338 HG11 VAL 48 1HG1 VAL 48 16.704 -17.614 -3.117
339 HG12 VAL 48 2HG1 VAL 48 17.157 -15.911 -3.013
340 HG13 VAL 48 3HG1 VAL 48 16.752 -16.808 -1.549
341 HG21 VAL 48 3HG2 VAL 48 13.934 -17.501 -1.408
342 HG22 VAL 48 1HG2 VAL 48 14.965 -16.306 -0.621
343 HG23 VAL 48 2HG2 VAL 48 13.474 -15.799 -1.413
344 H ASP 49 H ASP 49 17.210 -13.727 -3.553
345 HA ASP 49 HA ASP 49 17.879 -13.115 -0.891
346 HB2 ASP 49 1HB ASP 49 19.467 -13.270 -2.850
347 HB3 ASP 49 2HB ASP 49 18.898 -11.679 -3.345
348 H PHE 50 H PHE 50 15.788 -11.569 -3.117
349 HA PHE 50 HA PHE 50 15.948 -8.929 -2.044
350 HB2 PHE 50 1HB PHE 50 14.258 -10.354 -4.012
351 HB3 PHE 50 2HB PHE 50 13.510 -8.973 -3.217
352 HD1 PHE 50 HD1 PHE 50 14.400 -6.727 -3.528
353 HD2 PHE 50 HD2 PHE 50 16.074 -10.076 -5.552
354 HE1 PHE 50 HE1 PHE 50 15.559 -5.207 -5.077
355 HE2 PHE 50 HE2 PHE 50 17.237 -8.561 -7.103
356 HZ PHE 50 HZ PHE 50 16.981 -6.123 -6.866
357 H GLU 51 H GLU 51 14.881 -8.019 -0.386
358 HA GLU 51 HA GLU 51 12.848 -9.651 0.989
359 HB2 GLU 51 1HB GLU 51 14.802 -7.751 2.295
360 HB3 GLU 51 2HB GLU 51 13.635 -8.781 3.111
361 HG2 GLU 51 1HG GLU 51 14.854 -10.744 2.073
362 HG3 GLU 51 2HG GLU 51 16.118 -9.595 1.637
363 H ARG 52 H ARG 52 11.153 -8.522 2.048
364 HA ARG 52 HA ARG 52 10.358 -6.128 0.650
365 HB2 ARG 52 1HB ARG 52 8.660 -7.775 1.051
366 HB3 ARG 52 2HB ARG 52 9.014 -7.800 2.773
367 HG2 ARG 52 1HG ARG 52 8.161 -5.554 3.020
368 HG3 ARG 52 2HG ARG 52 7.894 -5.439 1.279
369 HD2 ARG 52 1HD ARG 52 6.559 -7.415 3.126
370 HD3 ARG 52 2HD ARG 52 5.825 -5.930 2.521
371 HE ARG 52 HE ARG 52 6.640 -7.340 0.296
372 HH11 ARG 52 1HH1 ARG 52 4.474 -7.845 2.974
373 HH12 ARG 52 2HH1 ARG 52 3.398 -8.867 2.080
374 HH21 ARG 52 1HH2 ARG 52 5.231 -8.685 -0.892
375 HH22 ARG 52 2HH2 ARG 52 3.830 -9.345 -0.119
376 H MET 53 H MET 53 10.908 -4.156 1.278
377 HA MET 53 HA MET 53 12.160 -3.590 3.744
378 HB2 MET 53 1HB MET 53 11.916 -1.209 3.060
379 HB3 MET 53 2HB MET 53 12.631 -2.226 1.815
380 HG2 MET 53 1HG MET 53 11.153 -1.280 0.450
381 HG3 MET 53 2HG MET 53 9.979 -2.360 1.199
382 HE1 MET 53 3HE MET 53 10.669 0.615 -0.090
383 HE2 MET 53 1HE MET 53 8.991 1.128 0.091
384 HE3 MET 53 2HE MET 53 10.269 1.970 0.968
385 H GLY 54 H GLY 54 11.428 -2.410 5.539
386 HA2 GLY 54 1HA GLY 54 8.524 -2.613 5.956
387 HA3 GLY 54 2HA GLY 54 9.736 -2.559 7.227
388 H GLY 55 H GLY 55 9.203 -0.804 8.390
389 HA2 GLY 55 1HA GLY 55 9.774 1.775 7.429
390 HA3 GLY 55 2HA GLY 55 8.033 1.540 7.383
391 H LYS 56 H LYS 56 10.688 0.814 9.654
392 HA LYS 56 HA LYS 56 9.325 2.368 11.708
393 HB2 LYS 56 1HB LYS 56 9.513 0.522 13.353
394 HB3 LYS 56 2HB LYS 56 8.392 0.162 12.047
395 HG2 LYS 56 1HG LYS 56 10.032 -1.246 10.973
396 HG3 LYS 56 2HG LYS 56 11.236 -0.818 12.191
397 HD2 LYS 56 1HD LYS 56 10.428 -2.908 12.876
398 HD3 LYS 56 2HD LYS 56 9.572 -1.751 13.898
399 HE2 LYS 56 1HE LYS 56 7.587 -1.957 12.629
400 HE3 LYS 56 2HE LYS 56 8.421 -2.805 11.327
401 HZ1 LYS 56 3HZ LYS 56 7.373 -3.828 13.823
402 HZ2 LYS 56 1HZ LYS 56 8.903 -4.417 13.405
403 HZ3 LYS 56 2HZ LYS 56 7.601 -4.611 12.342
Start of MODEL 7
1 H1 MET 1 H MET 1 2.173 -1.659 1.829
2 HA MET 1 HA MET 1 1.504 -2.068 -0.978
3 HB2 MET 1 1HB MET 1 3.110 0.299 0.000
4 HB3 MET 1 2HB MET 1 2.937 -0.174 -1.685
5 HG2 MET 1 1HG MET 1 1.335 1.424 -1.582
6 HG3 MET 1 2HG MET 1 0.372 0.025 -1.114
7 HE1 MET 1 3HE MET 1 1.676 3.600 1.314
8 HE2 MET 1 1HE MET 1 2.120 3.129 -0.328
9 HE3 MET 1 2HE MET 1 0.497 3.734 0.008
10 H THR 2 H THR 2 3.319 -2.711 -2.276
11 HA THR 2 HA THR 2 5.313 -4.143 -0.706
12 HB THR 2 HB THR 2 4.707 -4.254 -3.667
13 HG1 THR 2 HG1 THR 2 3.880 -5.749 -1.425
14 HG21 THR 2 3HG2 THR 2 6.030 -6.538 -3.141
15 HG22 THR 2 1HG2 THR 2 6.830 -5.459 -2.000
16 HG23 THR 2 2HG2 THR 2 6.821 -5.073 -3.721
17 H ALA 3 H ALA 3 7.522 -3.889 -0.925
18 HA ALA 3 HA ALA 3 8.578 -1.901 -2.757
19 HB1 ALA 3 1HB ALA 3 7.836 -1.034 -0.265
20 HB2 ALA 3 2HB ALA 3 9.553 -1.381 -0.057
21 HB3 ALA 3 3HB ALA 3 9.026 -0.258 -1.310
22 H TYR 4 H TYR 4 10.280 -2.858 -3.637
23 HA TYR 4 HA TYR 4 11.905 -4.663 -1.970
24 HB2 TYR 4 1HB TYR 4 11.291 -4.664 -4.917
25 HB3 TYR 4 2HB TYR 4 12.668 -5.546 -4.266
26 HD1 TYR 4 HD1 TYR 4 12.269 -7.390 -2.616
27 HD2 TYR 4 HD2 TYR 4 9.090 -5.524 -4.741
28 HE1 TYR 4 HE1 TYR 4 10.805 -9.292 -2.083
29 HE2 TYR 4 HE2 TYR 4 7.617 -7.421 -4.214
30 HH TYR 4 HH TYR 4 7.511 -9.215 -2.376
31 H ARG 5 H ARG 5 13.953 -4.136 -1.571
32 HA ARG 5 HA ARG 5 15.344 -2.284 -3.363
33 HB2 ARG 5 1HB ARG 5 14.409 -0.902 -1.571
34 HB3 ARG 5 2HB ARG 5 15.160 -1.940 -0.366
35 HG2 ARG 5 1HG ARG 5 16.761 -0.369 -0.395
36 HG3 ARG 5 2HG ARG 5 17.323 -1.254 -1.814
37 HD2 ARG 5 1HD ARG 5 17.173 0.703 -2.885
38 HD3 ARG 5 2HD ARG 5 15.432 0.426 -2.869
39 HE ARG 5 HE ARG 5 16.217 1.676 -0.469
40 HH11 ARG 5 1HH1 ARG 5 15.825 2.334 -3.865
41 HH12 ARG 5 2HH1 ARG 5 15.500 4.020 -3.634
42 HH21 ARG 5 1HH2 ARG 5 15.790 3.894 -0.151
43 HH22 ARG 5 2HH2 ARG 5 15.481 4.906 -1.521
44 H CYS 6 H CYS 6 16.887 -3.645 -4.070
45 HA CYS 6 HA CYS 6 18.871 -4.545 -2.165
46 HB2 CYS 6 1HB CYS 6 17.083 -6.375 -2.395
47 HB3 CYS 6 2HB CYS 6 17.699 -6.602 -4.027
48 HG CYS 6 HG CYS 6 18.967 -7.615 -1.116
49 HA PRO 7 HA PRO 7 20.700 -3.036 -6.085
50 HB2 PRO 7 1HB PRO 7 22.853 -1.902 -4.881
51 HB3 PRO 7 2HB PRO 7 21.294 -1.083 -5.030
52 HG2 PRO 7 1HG PRO 7 22.449 -2.545 -2.688
53 HG3 PRO 7 2HG PRO 7 21.575 -1.003 -2.723
54 HD2 PRO 7 1HD PRO 7 20.392 -3.331 -2.008
55 HD3 PRO 7 2HD PRO 7 19.515 -2.029 -2.836
56 H VAL 8 H VAL 8 21.580 -5.275 -3.700
57 HA VAL 8 HA VAL 8 24.198 -5.941 -4.582
58 HB VAL 8 HB VAL 8 22.213 -7.672 -3.100
59 HG11 VAL 8 1HG1 VAL 8 23.777 -9.215 -3.679
60 HG12 VAL 8 2HG1 VAL 8 25.052 -8.011 -3.881
61 HG13 VAL 8 3HG1 VAL 8 24.587 -8.544 -2.264
62 HG21 VAL 8 3HG2 VAL 8 23.507 -5.306 -2.284
63 HG22 VAL 8 1HG2 VAL 8 22.586 -6.437 -1.293
64 HG23 VAL 8 2HG2 VAL 8 24.329 -6.639 -1.474
65 H CYS 9 H CYS 9 21.067 -6.605 -5.802
66 HA CYS 9 HA CYS 9 22.183 -8.652 -7.605
67 HB2 CYS 9 1HB CYS 9 19.236 -8.419 -7.204
68 HB3 CYS 9 2HB CYS 9 20.210 -9.840 -7.561
69 HG CYS 9 HG CYS 9 21.168 -8.897 -4.635
70 H ASP 10 H ASP 10 19.687 -6.116 -7.418
71 HA ASP 10 HA ASP 10 20.493 -5.084 -9.992
72 HB2 ASP 10 1HB ASP 10 18.352 -5.346 -11.088
73 HB3 ASP 10 2HB ASP 10 18.931 -6.931 -10.580
74 H TYR 11 H TYR 11 19.315 -3.090 -10.555
75 HA TYR 11 HA TYR 11 19.292 -1.223 -8.564
76 HB2 TYR 11 1HB TYR 11 17.657 -1.279 -11.104
77 HB3 TYR 11 2HB TYR 11 17.802 0.138 -10.070
78 HD1 TYR 11 HD1 TYR 11 20.207 0.989 -9.608
79 HD2 TYR 11 HD2 TYR 11 19.204 -1.634 -12.804
80 HE1 TYR 11 HE1 TYR 11 22.269 1.638 -10.781
81 HE2 TYR 11 HE2 TYR 11 21.264 -0.993 -13.985
82 HH TYR 11 HH TYR 11 23.279 0.039 -13.744
83 H THR 12 H THR 12 17.565 -0.046 -7.511
84 HA THR 12 HA THR 12 15.343 -1.824 -6.766
85 HB THR 12 HB THR 12 15.243 -0.772 -4.652
86 HG1 THR 12 HG1 THR 12 17.007 1.195 -5.728
87 HG21 THR 12 3HG2 THR 12 17.469 -2.108 -5.429
88 HG22 THR 12 1HG2 THR 12 17.165 -1.575 -3.776
89 HG23 THR 12 2HG2 THR 12 18.178 -0.603 -4.843
90 H TYR 13 H TYR 13 13.283 -1.222 -7.094
91 HA TYR 13 HA TYR 13 12.626 1.570 -7.586
92 HB2 TYR 13 1HB TYR 13 12.015 -0.594 -9.611
93 HB3 TYR 13 2HB TYR 13 11.472 1.078 -9.698
94 HD1 TYR 13 HD2 TYR 13 13.410 2.871 -9.617
95 HD2 TYR 13 HD1 TYR 13 13.930 -1.196 -10.757
96 HE1 TYR 13 HE2 TYR 13 15.463 3.478 -10.828
97 HE2 TYR 13 HE1 TYR 13 15.985 -0.599 -11.970
98 HH TYR 13 HH TYR 13 16.890 2.679 -12.549
99 H ASP 14 H ASP 14 11.197 1.749 -5.957
100 HA ASP 14 HA ASP 14 9.396 -0.313 -5.184
101 HB2 ASP 14 1HB ASP 14 10.140 1.355 -3.575
102 HB3 ASP 14 2HB ASP 14 9.410 2.641 -4.531
103 H GLU 15 H GLU 15 7.170 -0.468 -5.477
104 HA GLU 15 HA GLU 15 6.153 0.064 -7.987
105 HB2 GLU 15 1HB GLU 15 5.233 -1.174 -5.657
106 HB3 GLU 15 2HB GLU 15 4.044 0.075 -5.999
107 HG2 GLU 15 1HG GLU 15 4.861 -1.516 -8.322
108 HG3 GLU 15 2HG GLU 15 4.020 -2.413 -7.060
109 H GLY 16 H GLY 16 5.381 1.835 -4.984
110 HA2 GLY 16 1HA GLY 16 3.813 3.827 -6.157
111 HA3 GLY 16 2HA GLY 16 4.687 3.995 -4.642
112 H LYS 17 H LYS 17 7.223 3.385 -6.246
113 HA LYS 17 HA LYS 17 7.916 6.121 -6.719
114 HB2 LYS 17 1HB LYS 17 9.433 4.234 -5.854
115 HB3 LYS 17 2HB LYS 17 9.569 3.741 -7.537
116 HG2 LYS 17 1HG LYS 17 11.438 5.068 -7.210
117 HG3 LYS 17 2HG LYS 17 10.289 6.171 -7.971
118 HD2 LYS 17 1HD LYS 17 9.638 6.867 -5.609
119 HD3 LYS 17 2HD LYS 17 11.085 6.007 -5.075
120 HE2 LYS 17 1HE LYS 17 11.122 8.167 -7.172
121 HE3 LYS 17 2HE LYS 17 11.355 8.486 -5.454
122 HZ1 LYS 17 3HZ LYS 17 13.370 8.036 -7.060
123 HZ2 LYS 17 1HZ LYS 17 13.016 6.423 -6.693
124 HZ3 LYS 17 2HZ LYS 17 13.391 7.510 -5.453
125 H GLY 18 H GLY 18 7.520 3.259 -8.795
126 HA2 GLY 18 1HA GLY 18 6.590 3.310 -10.963
127 HA3 GLY 18 2HA GLY 18 6.888 5.040 -11.026
128 H ASP 19 H ASP 19 9.017 5.789 -11.482
129 HA ASP 19 HA ASP 19 10.993 5.789 -12.608
130 HB2 ASP 19 1HB ASP 19 11.593 4.150 -10.792
131 HB3 ASP 19 2HB ASP 19 11.173 2.855 -11.909
132 HA PRO 20 HA PRO 20 8.813 3.942 -16.268
133 HB2 PRO 20 1HB PRO 20 8.822 6.234 -17.723
134 HB3 PRO 20 2HB PRO 20 7.549 5.838 -16.563
135 HG2 PRO 20 1HG PRO 20 9.923 7.631 -16.232
136 HG3 PRO 20 2HG PRO 20 8.246 7.888 -15.716
137 HD2 PRO 20 1HD PRO 20 10.186 7.076 -14.011
138 HD3 PRO 20 2HD PRO 20 8.491 6.578 -13.835
139 H ARG 21 H ARG 21 11.781 5.566 -15.658
140 HA ARG 21 HA ARG 21 12.957 5.556 -18.197
141 HB2 ARG 21 1HB ARG 21 13.967 5.594 -15.398
142 HB3 ARG 21 2HB ARG 21 15.115 5.201 -16.670
143 HG2 ARG 21 1HG ARG 21 15.383 7.461 -16.562
144 HG3 ARG 21 2HG ARG 21 14.119 7.358 -17.789
145 HD2 ARG 21 1HD ARG 21 12.441 7.653 -15.951
146 HD3 ARG 21 2HD ARG 21 13.788 7.974 -14.859
147 HE ARG 21 HE ARG 21 14.001 10.062 -15.783
148 HH11 ARG 21 1HH1 ARG 21 11.955 8.105 -17.808
149 HH12 ARG 21 2HH1 ARG 21 11.473 9.426 -18.821
150 HH21 ARG 21 1HH2 ARG 21 13.374 11.809 -17.108
151 HH22 ARG 21 2HH2 ARG 21 12.281 11.532 -18.422
152 H GLU 22 H GLU 22 12.395 2.992 -15.920
153 HA GLU 22 HA GLU 22 14.109 1.154 -17.412
154 HB2 GLU 22 1HB GLU 22 12.752 1.068 -14.748
155 HB3 GLU 22 2HB GLU 22 13.189 -0.442 -15.535
156 HG2 GLU 22 1HG GLU 22 15.048 1.793 -14.761
157 HG3 GLU 22 2HG GLU 22 14.923 0.205 -14.006
158 H GLY 23 H GLY 23 11.563 2.281 -18.467
159 HA2 GLY 23 1HA GLY 23 9.879 1.509 -19.829
160 HA3 GLY 23 2HA GLY 23 10.564 -0.099 -19.652
161 H PHE 24 H PHE 24 9.764 1.541 -16.749
162 HA PHE 24 HA PHE 24 7.177 0.161 -16.591
163 HB2 PHE 24 1HB PHE 24 9.287 0.112 -14.423
164 HB3 PHE 24 2HB PHE 24 7.685 -0.612 -14.325
165 HD1 PHE 24 HD2 PHE 24 7.333 -2.009 -16.787
166 HD2 PHE 24 HD1 PHE 24 10.871 -1.545 -14.467
167 HE1 PHE 24 HE2 PHE 24 8.221 -4.102 -17.728
168 HE2 PHE 24 HE1 PHE 24 11.765 -3.636 -15.405
169 HZ PHE 24 HZ PHE 24 10.439 -4.918 -17.037
170 HA PRO 25 HA PRO 25 6.713 4.544 -15.288
171 HB2 PRO 25 1HB PRO 25 4.233 4.816 -16.359
172 HB3 PRO 25 2HB PRO 25 5.715 5.034 -17.299
173 HG2 PRO 25 1HG PRO 25 3.910 2.651 -17.132
174 HG3 PRO 25 2HG PRO 25 4.676 3.377 -18.557
175 HD2 PRO 25 1HD PRO 25 5.655 1.162 -17.346
176 HD3 PRO 25 2HD PRO 25 6.699 2.353 -18.147
177 H ALA 26 H ALA 26 4.657 5.537 -14.204
178 HA ALA 26 HA ALA 26 4.200 4.272 -11.795
179 HB1 ALA 26 1HB ALA 26 3.773 6.637 -12.132
180 HB2 ALA 26 2HB ALA 26 2.416 6.260 -13.195
181 HB3 ALA 26 3HB ALA 26 2.338 5.841 -11.484
182 H GLY 27 H GLY 27 2.952 2.643 -11.127
183 HA2 GLY 27 1HA GLY 27 0.746 1.587 -11.136
184 HA3 GLY 27 2HA GLY 27 0.736 1.786 -12.882
185 H THR 28 H THR 28 3.398 0.923 -13.373
186 HA THR 28 HA THR 28 3.040 -1.797 -13.747
187 HB THR 28 HB THR 28 5.657 -0.302 -13.498
188 HG1 THR 28 HG1 THR 28 4.447 -1.106 -15.916
189 HG21 THR 28 3HG2 THR 28 6.003 -2.402 -15.261
190 HG22 THR 28 1HG2 THR 28 5.050 -3.112 -13.958
191 HG23 THR 28 2HG2 THR 28 6.592 -2.334 -13.600
192 H ARG 29 H ARG 29 2.673 -3.241 -12.189
193 HA ARG 29 HA ARG 29 3.755 -2.970 -9.547
194 HB2 ARG 29 1HB ARG 29 2.347 -5.352 -10.763
195 HB3 ARG 29 2HB ARG 29 2.572 -5.023 -9.050
196 HG2 ARG 29 1HG ARG 29 1.251 -2.850 -9.549
197 HG3 ARG 29 2HG ARG 29 0.732 -3.711 -11.000
198 HD2 ARG 29 1HD ARG 29 0.121 -5.623 -9.395
199 HD3 ARG 29 2HD ARG 29 0.255 -4.411 -8.122
200 HE ARG 29 HE ARG 29 -1.759 -3.573 -8.784
201 HH11 ARG 29 1HH1 ARG 29 -0.427 -5.459 -11.390
202 HH12 ARG 29 2HH1 ARG 29 -1.840 -5.323 -12.384
203 HH21 ARG 29 1HH2 ARG 29 -3.625 -3.387 -10.083
204 HH22 ARG 29 2HH2 ARG 29 -3.658 -4.144 -11.640
205 H TRP 30 H TRP 30 5.261 -4.301 -8.522
206 HA TRP 30 HA TRP 30 7.539 -4.983 -9.927
207 HB2 TRP 30 1HB TRP 30 8.122 -6.372 -7.895
208 HB3 TRP 30 2HB TRP 30 7.684 -4.698 -7.564
209 HD1 TRP 30 HD1 TRP 30 5.432 -4.257 -6.220
210 HE1 TRP 30 HE1 TRP 30 3.922 -5.795 -4.812
211 HE3 TRP 30 HE3 TRP 30 7.229 -8.788 -7.760
212 HZ2 TRP 30 HZ2 TRP 30 3.544 -8.563 -4.408
213 HZ3 TRP 30 HZ3 TRP 30 6.240 -10.833 -6.814
214 HH2 TRP 30 HH2 TRP 30 4.436 -10.720 -5.172
215 H ASP 31 H ASP 31 4.782 -7.011 -9.059
216 HA ASP 31 HA ASP 31 5.803 -9.492 -9.812
217 HB2 ASP 31 1HB ASP 31 3.655 -9.122 -8.600
218 HB3 ASP 31 2HB ASP 31 2.940 -8.562 -10.110
219 H GLN 32 H GLN 32 4.595 -6.855 -11.741
220 HA GLN 32 HA GLN 32 4.122 -8.250 -14.140
221 HB2 GLN 32 1HB GLN 32 3.549 -5.797 -13.444
222 HB3 GLN 32 2HB GLN 32 5.130 -5.428 -14.121
223 HG2 GLN 32 1HG GLN 32 3.435 -5.050 -15.777
224 HG3 GLN 32 2HG GLN 32 4.425 -6.429 -16.253
225 HE21 GLN 32 2HE2 GLN 32 1.548 -5.857 -14.247
226 HE22 GLN 32 1HE2 GLN 32 0.615 -7.145 -14.921
227 H ILE 33 H ILE 33 7.036 -6.976 -12.686
228 HA ILE 33 HA ILE 33 8.765 -6.895 -14.835
229 HB ILE 33 HB ILE 33 9.431 -7.878 -12.057
230 HG12 ILE 33 1HG1 ILE 33 9.488 -5.086 -13.224
231 HG13 ILE 33 2HG1 ILE 33 8.336 -5.680 -12.033
232 HG21 ILE 33 1HG2 ILE 33 11.701 -7.206 -12.549
233 HG22 ILE 33 2HG2 ILE 33 11.149 -8.367 -13.756
234 HG23 ILE 33 3HG2 ILE 33 11.218 -6.650 -14.151
235 HD11 ILE 33 3HD1 ILE 33 10.230 -6.057 -10.478
236 HD12 ILE 33 1HD1 ILE 33 11.294 -5.296 -11.660
237 HD13 ILE 33 2HD1 ILE 33 9.989 -4.367 -10.921
238 HA PRO 34 HA PRO 34 8.933 -11.082 -16.250
239 HB2 PRO 34 1HB PRO 34 11.112 -10.820 -17.849
240 HB3 PRO 34 2HB PRO 34 9.517 -10.197 -18.289
241 HG2 PRO 34 1HG PRO 34 11.865 -8.745 -17.132
242 HG3 PRO 34 2HG PRO 34 10.770 -8.243 -18.433
243 HD2 PRO 34 1HD PRO 34 10.534 -7.326 -15.896
244 HD3 PRO 34 2HD PRO 34 9.133 -7.558 -16.962
245 H ASP 35 H ASP 35 9.645 -12.727 -15.060
246 HA ASP 35 HA ASP 35 11.877 -12.551 -13.320
247 HB2 ASP 35 1HB ASP 35 11.489 -15.031 -13.030
248 HB3 ASP 35 2HB ASP 35 10.093 -14.009 -12.699
249 H ASP 36 H ASP 36 11.629 -13.188 -16.632
250 HA ASP 36 HA ASP 36 13.913 -14.923 -16.853
251 HB2 ASP 36 1HB ASP 36 11.922 -14.741 -18.480
252 HB3 ASP 36 2HB ASP 36 12.736 -13.310 -19.106
253 H TRP 37 H TRP 37 13.418 -11.566 -16.532
254 HA TRP 37 HA TRP 37 15.465 -10.421 -17.983
255 HB2 TRP 37 1HB TRP 37 13.659 -9.471 -16.218
256 HB3 TRP 37 2HB TRP 37 15.112 -9.397 -15.224
257 HD1 TRP 37 HD1 TRP 37 16.641 -7.351 -15.568
258 HE1 TRP 37 HE1 TRP 37 16.733 -5.406 -17.252
259 HE3 TRP 37 HE3 TRP 37 13.100 -8.976 -18.879
260 HZ2 TRP 37 HZ2 TRP 37 15.471 -4.660 -19.664
261 HZ3 TRP 37 HZ3 TRP 37 12.602 -7.588 -20.848
262 HH2 TRP 37 HH2 TRP 37 13.763 -5.475 -21.231
263 H CYS 38 H CYS 38 17.628 -10.377 -17.869
264 HA CYS 38 HA CYS 38 18.896 -11.840 -15.656
265 HB2 CYS 38 1HB CYS 38 20.086 -11.194 -18.358
266 HB3 CYS 38 2HB CYS 38 20.738 -12.289 -17.145
267 HG CYS 38 HG CYS 38 17.771 -12.831 -18.759
268 H CYS 39 H CYS 39 20.518 -10.937 -14.463
269 HA CYS 39 HA CYS 39 21.270 -8.164 -15.095
270 HB2 CYS 39 1HB CYS 39 19.944 -9.214 -12.705
271 HB3 CYS 39 2HB CYS 39 21.389 -8.277 -12.342
272 HG CYS 39 HG CYS 39 18.908 -7.058 -14.347
273 HA PRO 40 HA PRO 40 25.453 -9.287 -14.413
274 HB2 PRO 40 1HB PRO 40 26.454 -7.126 -13.109
275 HB3 PRO 40 2HB PRO 40 26.017 -7.097 -14.822
276 HG2 PRO 40 1HG PRO 40 24.467 -6.118 -12.456
277 HG3 PRO 40 2HG PRO 40 24.697 -5.351 -14.038
278 HD2 PRO 40 1HD PRO 40 22.442 -6.702 -13.387
279 HD3 PRO 40 2HD PRO 40 23.080 -6.651 -15.043
280 H ASP 41 H ASP 41 24.129 -7.742 -11.479
281 HA ASP 41 HA ASP 41 25.838 -9.329 -9.773
282 HB2 ASP 41 1HB ASP 41 23.554 -7.713 -8.714
283 HB3 ASP 41 2HB ASP 41 25.161 -7.959 -8.034
284 H CYS 42 H CYS 42 22.323 -9.007 -10.260
285 HA CYS 42 HA CYS 42 21.500 -11.010 -8.526
286 HB2 CYS 42 1HB CYS 42 20.055 -9.333 -9.773
287 HB3 CYS 42 2HB CYS 42 20.164 -10.405 -11.164
288 HG CYS 42 HG CYS 42 17.804 -10.458 -9.185
289 H SER 43 H SER 43 23.067 -11.254 -11.579
290 HA SER 43 HA SER 43 22.251 -13.691 -12.560
291 HB2 SER 43 1HB SER 43 23.764 -12.779 -14.001
292 HB3 SER 43 2HB SER 43 24.755 -12.113 -12.704
293 HG SER 43 HG SER 43 25.912 -13.885 -12.667
294 H VAL 44 H VAL 44 24.307 -13.016 -9.816
295 HA VAL 44 HA VAL 44 24.547 -15.914 -9.328
296 HB VAL 44 HB VAL 44 26.527 -15.277 -7.876
297 HG11 VAL 44 1HG1 VAL 44 26.340 -15.429 -10.779
298 HG12 VAL 44 2HG1 VAL 44 27.798 -14.607 -10.219
299 HG13 VAL 44 3HG1 VAL 44 27.442 -16.245 -9.670
300 HG21 VAL 44 3HG2 VAL 44 25.711 -12.749 -8.146
301 HG22 VAL 44 1HG2 VAL 44 27.395 -13.180 -7.849
302 HG23 VAL 44 2HG2 VAL 44 26.854 -12.813 -9.487
303 H ARG 45 H ARG 45 22.457 -13.864 -8.541
304 HA ARG 45 HA ARG 45 22.365 -14.623 -5.720
305 HB2 ARG 45 1HB ARG 45 22.546 -11.864 -6.777
306 HB3 ARG 45 2HB ARG 45 21.346 -12.131 -5.520
307 HG2 ARG 45 1HG ARG 45 23.122 -11.592 -4.219
308 HG3 ARG 45 2HG ARG 45 23.386 -13.333 -4.339
309 HD2 ARG 45 1HD ARG 45 25.196 -13.103 -5.698
310 HD3 ARG 45 2HD ARG 45 24.579 -11.634 -6.451
311 HE ARG 45 HE ARG 45 25.354 -11.315 -3.695
312 HH11 ARG 45 1HH1 ARG 45 26.405 -11.229 -7.013
313 HH12 ARG 45 2HH1 ARG 45 27.750 -10.184 -6.696
314 HH21 ARG 45 1HH2 ARG 45 27.121 -9.938 -3.266
315 HH22 ARG 45 2HH2 ARG 45 28.156 -9.451 -4.564
316 H GLU 46 H GLU 46 20.485 -15.577 -5.344
317 HA GLU 46 HA GLU 46 18.397 -15.783 -7.156
318 HB2 GLU 46 1HB GLU 46 18.719 -16.342 -4.255
319 HB3 GLU 46 2HB GLU 46 17.077 -16.272 -4.878
320 HG2 GLU 46 1HG GLU 46 17.358 -18.120 -6.218
321 HG3 GLU 46 2HG GLU 46 19.109 -17.934 -6.288
322 H LYS 47 H LYS 47 16.468 -14.743 -7.463
323 HA LYS 47 HA LYS 47 16.333 -11.993 -6.954
324 HB2 LYS 47 1HB LYS 47 15.036 -13.634 -8.634
325 HB3 LYS 47 2HB LYS 47 13.791 -13.461 -7.404
326 HG2 LYS 47 1HG LYS 47 13.361 -11.321 -7.948
327 HG3 LYS 47 2HG LYS 47 15.053 -10.956 -8.296
328 HD2 LYS 47 1HD LYS 47 14.847 -11.478 -10.483
329 HD3 LYS 47 2HD LYS 47 13.756 -12.828 -10.163
330 HE2 LYS 47 1HE LYS 47 12.999 -9.908 -10.090
331 HE3 LYS 47 2HE LYS 47 12.663 -11.017 -11.419
332 HZ1 LYS 47 3HZ LYS 47 10.732 -11.287 -10.337
333 HZ2 LYS 47 1HZ LYS 47 11.345 -10.751 -8.854
334 HZ3 LYS 47 2HZ LYS 47 11.613 -12.344 -9.355
335 H VAL 48 H VAL 48 15.248 -14.727 -5.105
336 HA VAL 48 HA VAL 48 13.453 -13.287 -3.410
337 HB VAL 48 HB VAL 48 13.334 -15.752 -3.761
338 HG11 VAL 48 1HG1 VAL 48 15.055 -17.103 -3.364
339 HG12 VAL 48 2HG1 VAL 48 16.040 -15.663 -3.095
340 HG13 VAL 48 3HG1 VAL 48 15.256 -16.464 -1.733
341 HG21 VAL 48 3HG2 VAL 48 13.725 -15.431 -0.841
342 HG22 VAL 48 1HG2 VAL 48 12.586 -14.340 -1.630
343 HG23 VAL 48 2HG2 VAL 48 12.353 -16.085 -1.737
344 H ASP 49 H ASP 49 16.799 -13.358 -3.653
345 HA ASP 49 HA ASP 49 17.609 -13.245 -0.963
346 HB2 ASP 49 1HB ASP 49 18.857 -12.038 -3.439
347 HB3 ASP 49 2HB ASP 49 19.644 -12.102 -1.864
348 H PHE 50 H PHE 50 15.957 -10.983 -2.932
349 HA PHE 50 HA PHE 50 16.735 -8.534 -1.916
350 HB2 PHE 50 1HB PHE 50 14.246 -9.605 -3.126
351 HB3 PHE 50 2HB PHE 50 14.105 -8.082 -2.254
352 HD1 PHE 50 HD1 PHE 50 16.344 -9.695 -4.767
353 HD2 PHE 50 HD2 PHE 50 14.387 -6.151 -3.452
354 HE1 PHE 50 HE1 PHE 50 17.201 -8.494 -6.737
355 HE2 PHE 50 HE2 PHE 50 15.241 -4.945 -5.420
356 HZ PHE 50 HZ PHE 50 16.649 -6.117 -7.066
357 H GLU 51 H GLU 51 15.281 -7.114 -0.487
358 HA GLU 51 HA GLU 51 14.227 -8.606 1.805
359 HB2 GLU 51 1HB GLU 51 16.140 -6.284 2.088
360 HB3 GLU 51 2HB GLU 51 15.436 -7.233 3.389
361 HG2 GLU 51 1HG GLU 51 16.618 -9.217 2.124
362 HG3 GLU 51 2HG GLU 51 17.640 -7.912 1.522
363 H ARG 52 H ARG 52 12.163 -7.992 1.845
364 HA ARG 52 HA ARG 52 11.137 -5.603 0.807
365 HB2 ARG 52 1HB ARG 52 9.054 -6.223 1.794
366 HB3 ARG 52 2HB ARG 52 9.845 -7.706 1.278
367 HG2 ARG 52 1HG ARG 52 10.619 -8.040 3.614
368 HG3 ARG 52 2HG ARG 52 9.666 -6.631 4.082
369 HD2 ARG 52 1HD ARG 52 7.635 -7.725 3.324
370 HD3 ARG 52 2HD ARG 52 8.568 -9.113 2.768
371 HE ARG 52 HE ARG 52 8.895 -8.512 5.566
372 HH11 ARG 52 1HH1 ARG 52 7.030 -10.239 3.188
373 HH12 ARG 52 2HH1 ARG 52 6.447 -11.421 4.313
374 HH21 ARG 52 1HH2 ARG 52 8.134 -10.061 7.057
375 HH22 ARG 52 2HH2 ARG 52 7.075 -11.318 6.514
376 H MET 53 H MET 53 10.832 -3.610 1.623
377 HA MET 53 HA MET 53 11.953 -3.061 4.266
378 HB2 MET 53 1HB MET 53 11.143 -1.178 2.043
379 HB3 MET 53 2HB MET 53 11.900 -0.696 3.556
380 HG2 MET 53 1HG MET 53 13.228 -2.678 1.757
381 HG3 MET 53 2HG MET 53 13.347 -0.950 1.438
382 HE1 MET 53 3HE MET 53 15.737 -0.406 1.719
383 HE2 MET 53 1HE MET 53 14.851 0.702 2.767
384 HE3 MET 53 2HE MET 53 16.349 -0.035 3.331
385 H GLY 54 H GLY 54 10.781 -2.349 5.964
386 HA2 GLY 54 1HA GLY 54 8.966 -1.377 7.081
387 HA3 GLY 54 2HA GLY 54 8.076 -1.352 5.566
388 H GLY 55 H GLY 55 7.870 -2.548 8.513
389 HA2 GLY 55 1HA GLY 55 6.310 -4.848 7.611
390 HA3 GLY 55 2HA GLY 55 7.616 -5.168 8.743
391 H LYS 56 H LYS 56 4.444 -3.839 8.319
392 HA LYS 56 HA LYS 56 4.280 -3.057 11.130
393 HB2 LYS 56 1HB LYS 56 2.623 -2.549 8.697
394 HB3 LYS 56 2HB LYS 56 1.849 -2.461 10.275
395 HG2 LYS 56 1HG LYS 56 3.337 -0.725 10.980
396 HG3 LYS 56 2HG LYS 56 4.308 -0.900 9.516
397 HD2 LYS 56 1HD LYS 56 3.023 0.898 8.924
398 HD3 LYS 56 2HD LYS 56 1.994 -0.412 8.341
399 HE2 LYS 56 1HE LYS 56 0.538 0.995 9.512
400 HE3 LYS 56 2HE LYS 56 0.880 -0.317 10.640
401 HZ1 LYS 56 3HZ LYS 56 2.529 1.102 11.713
402 HZ2 LYS 56 1HZ LYS 56 0.996 1.817 11.742
403 HZ3 LYS 56 2HZ LYS 56 2.163 2.362 10.646
Start of MODEL 8
1 H1 MET 1 H MET 1 1.460 0.304 1.784
2 HA MET 1 HA MET 1 1.280 -1.160 -0.587
3 HB2 MET 1 1HB MET 1 3.168 1.121 0.025
4 HB3 MET 1 2HB MET 1 2.689 0.574 -1.576
5 HG2 MET 1 1HG MET 1 0.446 1.297 -1.235
6 HG3 MET 1 2HG MET 1 0.755 1.630 0.467
7 HE1 MET 1 3HE MET 1 0.679 3.649 1.210
8 HE2 MET 1 1HE MET 1 1.271 5.165 0.528
9 HE3 MET 1 2HE MET 1 -0.243 4.469 -0.050
10 H THR 2 H THR 2 3.034 -1.914 -1.976
11 HA THR 2 HA THR 2 4.972 -3.446 -0.429
12 HB THR 2 HB THR 2 4.242 -3.581 -3.361
13 HG1 THR 2 HG1 THR 2 3.569 -5.154 -1.089
14 HG21 THR 2 3HG2 THR 2 6.428 -4.373 -3.328
15 HG22 THR 2 1HG2 THR 2 5.486 -5.845 -3.090
16 HG23 THR 2 2HG2 THR 2 6.261 -5.061 -1.713
17 H ALA 3 H ALA 3 7.183 -3.335 -0.699
18 HA ALA 3 HA ALA 3 8.329 -1.496 -2.625
19 HB1 ALA 3 1HB ALA 3 7.663 -0.428 -0.216
20 HB2 ALA 3 2HB ALA 3 9.328 -0.931 0.073
21 HB3 ALA 3 3HB ALA 3 8.957 0.167 -1.257
22 H TYR 4 H TYR 4 9.939 -2.620 -3.482
23 HA TYR 4 HA TYR 4 11.492 -4.417 -1.740
24 HB2 TYR 4 1HB TYR 4 10.750 -4.577 -4.647
25 HB3 TYR 4 2HB TYR 4 12.145 -5.454 -4.028
26 HD1 TYR 4 HD1 TYR 4 11.848 -7.292 -2.430
27 HD2 TYR 4 HD2 TYR 4 8.506 -5.263 -4.107
28 HE1 TYR 4 HE1 TYR 4 10.378 -9.122 -1.697
29 HE2 TYR 4 HE2 TYR 4 7.026 -7.087 -3.378
30 HH TYR 4 HH TYR 4 6.971 -9.210 -2.591
31 H ARG 5 H ARG 5 13.444 -3.702 -1.236
32 HA ARG 5 HA ARG 5 14.920 -2.105 -3.223
33 HB2 ARG 5 1HB ARG 5 14.019 -0.797 -1.232
34 HB3 ARG 5 2HB ARG 5 15.146 -1.715 -0.242
35 HG2 ARG 5 1HG ARG 5 16.596 -0.671 -2.436
36 HG3 ARG 5 2HG ARG 5 15.616 0.634 -1.763
37 HD2 ARG 5 1HD ARG 5 17.379 -1.168 -0.114
38 HD3 ARG 5 2HD ARG 5 17.894 0.393 -0.750
39 HE ARG 5 HE ARG 5 15.504 0.732 0.682
40 HH11 ARG 5 1HH1 ARG 5 18.861 -0.021 1.210
41 HH12 ARG 5 2HH1 ARG 5 18.895 0.650 2.807
42 HH21 ARG 5 1HH2 ARG 5 15.536 1.620 2.783
43 HH22 ARG 5 2HH2 ARG 5 17.003 1.583 3.701
44 H CYS 6 H CYS 6 16.415 -3.483 -3.968
45 HA CYS 6 HA CYS 6 18.382 -4.515 -2.110
46 HB2 CYS 6 1HB CYS 6 16.387 -6.228 -3.441
47 HB3 CYS 6 2HB CYS 6 18.052 -6.772 -3.608
48 HG CYS 6 HG CYS 6 17.670 -5.988 -0.486
49 HA PRO 7 HA PRO 7 20.238 -2.978 -6.005
50 HB2 PRO 7 1HB PRO 7 22.456 -1.984 -4.795
51 HB3 PRO 7 2HB PRO 7 20.935 -1.088 -4.900
52 HG2 PRO 7 1HG PRO 7 22.046 -2.674 -2.617
53 HG3 PRO 7 2HG PRO 7 21.245 -1.092 -2.595
54 HD2 PRO 7 1HD PRO 7 19.962 -3.384 -1.936
55 HD3 PRO 7 2HD PRO 7 19.137 -2.017 -2.713
56 H VAL 8 H VAL 8 21.035 -5.330 -3.702
57 HA VAL 8 HA VAL 8 23.615 -6.093 -4.562
58 HB VAL 8 HB VAL 8 22.623 -6.828 -2.420
59 HG11 VAL 8 1HG1 VAL 8 21.096 -8.959 -3.832
60 HG12 VAL 8 2HG1 VAL 8 20.837 -8.252 -2.236
61 HG13 VAL 8 3HG1 VAL 8 20.377 -7.356 -3.684
62 HG21 VAL 8 3HG2 VAL 8 23.218 -9.320 -3.955
63 HG22 VAL 8 1HG2 VAL 8 24.459 -8.077 -3.793
64 HG23 VAL 8 2HG2 VAL 8 23.770 -8.828 -2.354
65 H CYS 9 H CYS 9 20.508 -6.506 -5.950
66 HA CYS 9 HA CYS 9 21.616 -8.436 -7.882
67 HB2 CYS 9 1HB CYS 9 19.020 -8.851 -8.246
68 HB3 CYS 9 2HB CYS 9 19.917 -9.690 -6.985
69 HG CYS 9 HG CYS 9 18.435 -8.908 -5.049
70 H ASP 10 H ASP 10 19.119 -5.911 -7.557
71 HA ASP 10 HA ASP 10 20.026 -4.668 -10.008
72 HB2 ASP 10 1HB ASP 10 18.454 -6.412 -10.804
73 HB3 ASP 10 2HB ASP 10 17.192 -5.706 -9.799
74 H TYR 11 H TYR 11 18.918 -2.605 -10.421
75 HA TYR 11 HA TYR 11 18.867 -0.925 -8.264
76 HB2 TYR 11 1HB TYR 11 17.240 -0.639 -10.799
77 HB3 TYR 11 2HB TYR 11 17.616 0.663 -9.676
78 HD1 TYR 11 HD2 TYR 11 20.062 1.282 -9.339
79 HD2 TYR 11 HD1 TYR 11 18.728 -1.205 -12.524
80 HE1 TYR 11 HE2 TYR 11 22.147 1.738 -10.561
81 HE2 TYR 11 HE1 TYR 11 20.810 -0.757 -13.754
82 HH TYR 11 HH TYR 11 22.593 0.769 -13.861
83 H THR 12 H THR 12 17.127 0.204 -7.183
84 HA THR 12 HA THR 12 14.822 -1.563 -6.705
85 HB THR 12 HB THR 12 16.021 -1.286 -4.677
86 HG1 THR 12 HG1 THR 12 14.026 0.707 -4.425
87 HG21 THR 12 3HG2 THR 12 16.494 1.396 -5.709
88 HG22 THR 12 1HG2 THR 12 17.433 0.449 -4.556
89 HG23 THR 12 2HG2 THR 12 16.048 1.391 -4.003
90 H TYR 13 H TYR 13 12.783 -0.846 -6.989
91 HA TYR 13 HA TYR 13 12.256 1.999 -7.293
92 HB2 TYR 13 1HB TYR 13 10.945 1.447 -9.443
93 HB3 TYR 13 2HB TYR 13 12.696 1.582 -9.558
94 HD1 TYR 13 HD2 TYR 13 14.082 -0.461 -9.774
95 HD2 TYR 13 HD1 TYR 13 9.831 -0.623 -9.872
96 HE1 TYR 13 HE2 TYR 13 14.196 -2.712 -10.759
97 HE2 TYR 13 HE1 TYR 13 9.934 -2.875 -10.856
98 HH TYR 13 HH TYR 13 12.347 -4.120 -12.351
99 H ASP 14 H ASP 14 10.702 2.250 -5.826
100 HA ASP 14 HA ASP 14 8.868 0.201 -5.095
101 HB2 ASP 14 1HB ASP 14 9.534 1.897 -3.484
102 HB3 ASP 14 2HB ASP 14 8.857 3.167 -4.499
103 H GLU 15 H GLU 15 6.633 0.084 -5.446
104 HA GLU 15 HA GLU 15 5.727 0.513 -8.015
105 HB2 GLU 15 1HB GLU 15 4.267 0.145 -5.412
106 HB3 GLU 15 2HB GLU 15 3.391 0.362 -6.921
107 HG2 GLU 15 1HG GLU 15 5.302 -1.851 -6.225
108 HG3 GLU 15 2HG GLU 15 3.561 -1.973 -6.468
109 H GLY 16 H GLY 16 4.895 2.457 -5.137
110 HA2 GLY 16 1HA GLY 16 3.426 4.422 -6.483
111 HA3 GLY 16 2HA GLY 16 4.226 4.642 -4.934
112 H LYS 17 H LYS 17 6.814 3.881 -6.411
113 HA LYS 17 HA LYS 17 7.552 6.598 -7.032
114 HB2 LYS 17 1HB LYS 17 8.934 4.625 -5.898
115 HB3 LYS 17 2HB LYS 17 9.398 4.321 -7.567
116 HG2 LYS 17 1HG LYS 17 11.034 5.784 -7.154
117 HG3 LYS 17 2HG LYS 17 9.781 7.005 -7.387
118 HD2 LYS 17 1HD LYS 17 10.641 7.655 -5.359
119 HD3 LYS 17 2HD LYS 17 9.339 6.584 -4.833
120 HE2 LYS 17 1HE LYS 17 11.262 6.013 -3.562
121 HE3 LYS 17 2HE LYS 17 11.036 4.733 -4.752
122 HZ1 LYS 17 3HZ LYS 17 12.973 5.201 -5.725
123 HZ2 LYS 17 1HZ LYS 17 13.346 6.055 -4.312
124 HZ3 LYS 17 2HZ LYS 17 12.732 6.874 -5.658
125 H GLY 18 H GLY 18 7.392 3.519 -8.809
126 HA2 GLY 18 1HA GLY 18 6.736 3.270 -11.048
127 HA3 GLY 18 2HA GLY 18 6.896 5.006 -11.266
128 H ASP 19 H ASP 19 9.007 5.899 -11.572
129 HA ASP 19 HA ASP 19 11.082 5.970 -12.501
130 HB2 ASP 19 1HB ASP 19 11.480 4.390 -10.483
131 HB3 ASP 19 2HB ASP 19 11.527 3.109 -11.692
132 HA PRO 20 HA PRO 20 9.414 3.675 -16.178
133 HB2 PRO 20 1HB PRO 20 9.390 5.843 -17.813
134 HB3 PRO 20 2HB PRO 20 8.044 5.431 -16.745
135 HG2 PRO 20 1HG PRO 20 10.231 7.436 -16.349
136 HG3 PRO 20 2HG PRO 20 8.496 7.591 -16.012
137 HD2 PRO 20 1HD PRO 20 10.317 7.075 -14.075
138 HD3 PRO 20 2HD PRO 20 8.655 6.452 -14.014
139 H ARG 21 H ARG 21 12.135 5.732 -15.539
140 HA ARG 21 HA ARG 21 13.539 5.489 -17.948
141 HB2 ARG 21 1HB ARG 21 14.400 5.944 -15.105
142 HB3 ARG 21 2HB ARG 21 15.585 5.794 -16.395
143 HG2 ARG 21 1HG ARG 21 15.018 7.789 -17.342
144 HG3 ARG 21 2HG ARG 21 13.352 7.716 -16.762
145 HD2 ARG 21 1HD ARG 21 14.387 7.983 -14.419
146 HD3 ARG 21 2HD ARG 21 15.835 8.508 -15.277
147 HE ARG 21 HE ARG 21 13.721 9.989 -16.288
148 HH11 ARG 21 1HH1 ARG 21 15.333 9.543 -13.234
149 HH12 ARG 21 2HH1 ARG 21 14.996 11.148 -12.674
150 HH21 ARG 21 1HH2 ARG 21 13.272 12.104 -15.562
151 HH22 ARG 21 2HH2 ARG 21 13.823 12.603 -13.999
152 H GLU 22 H GLU 22 12.991 3.226 -15.398
153 HA GLU 22 HA GLU 22 15.108 1.449 -16.349
154 HB2 GLU 22 1HB GLU 22 13.222 1.215 -13.998
155 HB3 GLU 22 2HB GLU 22 14.463 0.039 -14.404
156 HG2 GLU 22 1HG GLU 22 14.815 2.860 -13.453
157 HG3 GLU 22 2HG GLU 22 15.363 1.367 -12.692
158 H GLY 23 H GLY 23 12.640 2.076 -17.896
159 HA2 GLY 23 1HA GLY 23 11.278 0.914 -19.338
160 HA3 GLY 23 2HA GLY 23 12.113 -0.549 -18.838
161 H PHE 24 H PHE 24 10.730 1.291 -16.311
162 HA PHE 24 HA PHE 24 8.277 -0.313 -16.332
163 HB2 PHE 24 1HB PHE 24 10.080 -0.040 -13.918
164 HB3 PHE 24 2HB PHE 24 8.550 -0.909 -13.983
165 HD1 PHE 24 HD1 PHE 24 8.540 -2.622 -16.137
166 HD2 PHE 24 HD2 PHE 24 11.920 -1.389 -13.862
167 HE1 PHE 24 HE1 PHE 24 9.731 -4.669 -16.802
168 HE2 PHE 24 HE2 PHE 24 13.116 -3.434 -14.524
169 HZ PHE 24 HZ PHE 24 12.022 -5.077 -15.997
170 HA PRO 25 HA PRO 25 7.343 4.096 -15.431
171 HB2 PRO 25 1HB PRO 25 5.002 4.096 -16.806
172 HB3 PRO 25 2HB PRO 25 6.569 4.368 -17.577
173 HG2 PRO 25 1HG PRO 25 4.932 1.865 -17.445
174 HG3 PRO 25 2HG PRO 25 5.815 2.553 -18.820
175 HD2 PRO 25 1HD PRO 25 6.792 0.509 -17.337
176 HD3 PRO 25 2HD PRO 25 7.840 1.725 -18.096
177 H ALA 26 H ALA 26 5.159 5.007 -14.622
178 HA ALA 26 HA ALA 26 4.479 3.832 -12.222
179 HB1 ALA 26 1HB ALA 26 3.226 5.898 -13.943
180 HB2 ALA 26 2HB ALA 26 2.261 5.229 -12.627
181 HB3 ALA 26 3HB ALA 26 3.807 6.005 -12.281
182 H GLY 27 H GLY 27 3.309 2.116 -11.657
183 HA2 GLY 27 1HA GLY 27 1.157 0.953 -11.840
184 HA3 GLY 27 2HA GLY 27 1.313 1.101 -13.584
185 H THR 28 H THR 28 4.142 0.411 -13.603
186 HA THR 28 HA THR 28 4.008 -2.304 -14.082
187 HB THR 28 HB THR 28 6.524 -0.942 -13.124
188 HG1 THR 28 HG1 THR 28 5.040 -0.592 -15.472
189 HG21 THR 28 3HG2 THR 28 7.623 -2.714 -13.952
190 HG22 THR 28 1HG2 THR 28 6.628 -2.762 -15.407
191 HG23 THR 28 2HG2 THR 28 6.061 -3.531 -13.924
192 H ARG 29 H ARG 29 3.379 -3.809 -12.672
193 HA ARG 29 HA ARG 29 3.784 -3.585 -9.856
194 HB2 ARG 29 1HB ARG 29 2.784 -5.817 -11.620
195 HB3 ARG 29 2HB ARG 29 2.930 -5.984 -9.875
196 HG2 ARG 29 1HG ARG 29 1.502 -3.763 -9.898
197 HG3 ARG 29 2HG ARG 29 1.015 -4.383 -11.477
198 HD2 ARG 29 1HD ARG 29 0.159 -6.377 -10.533
199 HD3 ARG 29 2HD ARG 29 0.923 -6.052 -8.978
200 HE ARG 29 HE ARG 29 -0.892 -3.985 -9.630
201 HH11 ARG 29 1HH1 ARG 29 -0.787 -7.300 -8.571
202 HH12 ARG 29 2HH1 ARG 29 -2.307 -7.220 -7.743
203 HH21 ARG 29 1HH2 ARG 29 -2.894 -3.867 -8.543
204 HH22 ARG 29 2HH2 ARG 29 -3.505 -5.267 -7.728
205 H TRP 30 H TRP 30 5.314 -4.465 -8.573
206 HA TRP 30 HA TRP 30 7.825 -5.104 -9.556
207 HB2 TRP 30 1HB TRP 30 8.196 -6.122 -7.245
208 HB3 TRP 30 2HB TRP 30 7.677 -4.439 -7.290
209 HD1 TRP 30 HD1 TRP 30 5.338 -3.850 -6.233
210 HE1 TRP 30 HE1 TRP 30 3.661 -5.186 -4.809
211 HE3 TRP 30 HE3 TRP 30 7.237 -8.544 -6.933
212 HZ2 TRP 30 HZ2 TRP 30 3.204 -7.874 -4.079
213 HZ3 TRP 30 HZ3 TRP 30 6.122 -10.443 -5.837
214 HH2 TRP 30 HH2 TRP 30 4.147 -10.113 -4.439
215 H ASP 31 H ASP 31 5.075 -7.175 -8.915
216 HA ASP 31 HA ASP 31 6.536 -9.628 -9.208
217 HB2 ASP 31 1HB ASP 31 4.290 -9.191 -7.956
218 HB3 ASP 31 2HB ASP 31 3.561 -9.413 -9.545
219 H GLN 32 H GLN 32 4.931 -7.412 -11.328
220 HA GLN 32 HA GLN 32 4.427 -9.126 -13.502
221 HB2 GLN 32 1HB GLN 32 3.518 -6.806 -13.210
222 HB3 GLN 32 2HB GLN 32 5.106 -6.186 -13.640
223 HG2 GLN 32 1HG GLN 32 4.924 -7.323 -15.820
224 HG3 GLN 32 2HG GLN 32 3.296 -7.841 -15.385
225 HE21 GLN 32 2HE2 GLN 32 2.137 -5.723 -14.312
226 HE22 GLN 32 1HE2 GLN 32 2.090 -4.392 -15.413
227 H ILE 33 H ILE 33 7.335 -7.731 -12.290
228 HA ILE 33 HA ILE 33 8.955 -7.569 -14.516
229 HB ILE 33 HB ILE 33 9.775 -8.599 -11.797
230 HG12 ILE 33 1HG1 ILE 33 8.641 -6.424 -11.669
231 HG13 ILE 33 2HG1 ILE 33 10.357 -6.266 -11.309
232 HG21 ILE 33 1HG2 ILE 33 11.433 -7.286 -13.946
233 HG22 ILE 33 2HG2 ILE 33 12.004 -7.868 -12.382
234 HG23 ILE 33 3HG2 ILE 33 11.419 -9.013 -13.589
235 HD11 ILE 33 3HD1 ILE 33 9.533 -4.448 -12.714
236 HD12 ILE 33 1HD1 ILE 33 10.766 -5.404 -13.534
237 HD13 ILE 33 2HD1 ILE 33 9.065 -5.618 -13.947
238 HA PRO 34 HA PRO 34 9.136 -11.719 -16.034
239 HB2 PRO 34 1HB PRO 34 11.229 -11.377 -17.729
240 HB3 PRO 34 2HB PRO 34 9.603 -10.778 -18.077
241 HG2 PRO 34 1HG PRO 34 11.976 -9.302 -17.002
242 HG3 PRO 34 2HG PRO 34 10.809 -8.795 -18.237
243 HD2 PRO 34 1HD PRO 34 10.679 -7.940 -15.671
244 HD3 PRO 34 2HD PRO 34 9.233 -8.176 -16.673
245 H ASP 35 H ASP 35 9.949 -13.388 -14.948
246 HA ASP 35 HA ASP 35 12.295 -13.185 -13.340
247 HB2 ASP 35 1HB ASP 35 10.581 -14.624 -12.541
248 HB3 ASP 35 2HB ASP 35 10.491 -15.488 -14.074
249 H ASP 36 H ASP 36 11.750 -13.930 -16.610
250 HA ASP 36 HA ASP 36 14.033 -15.642 -16.972
251 HB2 ASP 36 1HB ASP 36 11.975 -14.408 -18.736
252 HB3 ASP 36 2HB ASP 36 13.501 -14.887 -19.476
253 H TRP 37 H TRP 37 13.446 -12.250 -16.901
254 HA TRP 37 HA TRP 37 15.436 -11.230 -18.527
255 HB2 TRP 37 1HB TRP 37 13.691 -10.223 -16.563
256 HB3 TRP 37 2HB TRP 37 15.306 -9.723 -16.069
257 HD1 TRP 37 HD1 TRP 37 16.015 -7.477 -17.045
258 HE1 TRP 37 HE1 TRP 37 15.420 -6.093 -19.132
259 HE3 TRP 37 HE3 TRP 37 12.776 -10.737 -19.285
260 HZ2 TRP 37 HZ2 TRP 37 13.793 -6.349 -21.424
261 HZ3 TRP 37 HZ3 TRP 37 11.743 -10.091 -21.423
262 HH2 TRP 37 HH2 TRP 37 12.242 -7.942 -22.468
263 H CYS 38 H CYS 38 17.585 -10.591 -18.181
264 HA CYS 38 HA CYS 38 18.932 -11.994 -15.967
265 HB2 CYS 38 1HB CYS 38 19.801 -11.551 -18.819
266 HB3 CYS 38 2HB CYS 38 20.940 -11.994 -17.553
267 HG CYS 38 HG CYS 38 19.734 -14.087 -19.398
268 H CYS 39 H CYS 39 19.902 -10.723 -14.542
269 HA CYS 39 HA CYS 39 20.556 -7.967 -15.336
270 HB2 CYS 39 1HB CYS 39 19.401 -9.155 -12.921
271 HB3 CYS 39 2HB CYS 39 20.715 -8.034 -12.584
272 HG CYS 39 HG CYS 39 18.638 -6.745 -14.808
273 HA PRO 40 HA PRO 40 24.855 -8.541 -14.700
274 HB2 PRO 40 1HB PRO 40 25.587 -6.241 -13.456
275 HB3 PRO 40 2HB PRO 40 25.131 -6.307 -15.162
276 HG2 PRO 40 1HG PRO 40 23.496 -5.481 -12.795
277 HG3 PRO 40 2HG PRO 40 23.607 -4.726 -14.396
278 HD2 PRO 40 1HD PRO 40 21.551 -6.339 -13.685
279 HD3 PRO 40 2HD PRO 40 22.158 -6.244 -15.350
280 H ASP 41 H ASP 41 23.373 -7.117 -11.780
281 HA ASP 41 HA ASP 41 25.292 -8.433 -10.066
282 HB2 ASP 41 1HB ASP 41 23.382 -6.274 -9.824
283 HB3 ASP 41 2HB ASP 41 23.222 -7.402 -8.480
284 H CYS 42 H CYS 42 21.772 -8.596 -10.567
285 HA CYS 42 HA CYS 42 21.216 -10.637 -8.761
286 HB2 CYS 42 1HB CYS 42 19.590 -9.173 -10.106
287 HB3 CYS 42 2HB CYS 42 19.790 -10.350 -11.399
288 HG CYS 42 HG CYS 42 18.656 -11.142 -8.269
289 H SER 43 H SER 43 22.784 -10.754 -11.825
290 HA SER 43 HA SER 43 22.292 -13.310 -12.721
291 HB2 SER 43 1HB SER 43 23.631 -12.176 -14.199
292 HB3 SER 43 2HB SER 43 24.605 -11.446 -12.923
293 HG SER 43 HG SER 43 25.097 -13.656 -14.364
294 H VAL 44 H VAL 44 24.461 -12.263 -10.151
295 HA VAL 44 HA VAL 44 25.159 -15.064 -9.604
296 HB VAL 44 HB VAL 44 26.895 -14.090 -8.079
297 HG11 VAL 44 1HG1 VAL 44 28.435 -13.908 -9.770
298 HG12 VAL 44 2HG1 VAL 44 27.105 -14.687 -10.629
299 HG13 VAL 44 3HG1 VAL 44 27.363 -12.950 -10.791
300 HG21 VAL 44 3HG2 VAL 44 26.232 -11.486 -9.443
301 HG22 VAL 44 1HG2 VAL 44 25.722 -11.897 -7.806
302 HG23 VAL 44 2HG2 VAL 44 27.438 -11.765 -8.188
303 H ARG 45 H ARG 45 22.572 -13.891 -8.931
304 HA ARG 45 HA ARG 45 22.532 -14.641 -6.132
305 HB2 ARG 45 1HB ARG 45 22.821 -12.002 -6.592
306 HB3 ARG 45 2HB ARG 45 21.069 -12.124 -6.681
307 HG2 ARG 45 1HG ARG 45 21.717 -11.544 -4.445
308 HG3 ARG 45 2HG ARG 45 21.064 -13.183 -4.451
309 HD2 ARG 45 1HD ARG 45 23.126 -12.898 -3.073
310 HD3 ARG 45 2HD ARG 45 23.251 -14.131 -4.328
311 HE ARG 45 HE ARG 45 24.206 -11.635 -5.272
312 HH11 ARG 45 1HH1 ARG 45 25.054 -14.306 -3.207
313 HH12 ARG 45 2HH1 ARG 45 26.762 -14.086 -3.404
314 HH21 ARG 45 1HH2 ARG 45 26.451 -11.335 -5.540
315 HH22 ARG 45 2HH2 ARG 45 27.555 -12.395 -4.731
316 H GLU 46 H GLU 46 20.247 -14.737 -5.301
317 HA GLU 46 HA GLU 46 18.530 -15.775 -7.434
318 HB2 GLU 46 1HB GLU 46 18.335 -16.112 -4.436
319 HB3 GLU 46 2HB GLU 46 17.284 -16.878 -5.618
320 HG2 GLU 46 1HG GLU 46 20.257 -17.301 -5.461
321 HG3 GLU 46 2HG GLU 46 19.053 -18.362 -4.732
322 H LYS 47 H LYS 47 16.410 -15.117 -7.715
323 HA LYS 47 HA LYS 47 15.820 -12.423 -7.322
324 HB2 LYS 47 1HB LYS 47 14.742 -14.340 -8.843
325 HB3 LYS 47 2HB LYS 47 13.553 -14.336 -7.546
326 HG2 LYS 47 1HG LYS 47 12.725 -12.319 -8.125
327 HG3 LYS 47 2HG LYS 47 14.297 -11.698 -8.635
328 HD2 LYS 47 1HD LYS 47 14.073 -13.315 -10.615
329 HD3 LYS 47 2HD LYS 47 12.371 -13.426 -10.161
330 HE2 LYS 47 1HE LYS 47 12.574 -11.748 -11.849
331 HE3 LYS 47 2HE LYS 47 12.245 -10.939 -10.318
332 HZ1 LYS 47 3HZ LYS 47 14.251 -9.956 -10.308
333 HZ2 LYS 47 1HZ LYS 47 14.200 -10.226 -11.977
334 HZ3 LYS 47 2HZ LYS 47 15.049 -11.291 -10.973
335 H VAL 48 H VAL 48 15.404 -15.132 -5.219
336 HA VAL 48 HA VAL 48 13.376 -14.092 -3.545
337 HB VAL 48 HB VAL 48 14.086 -16.481 -3.580
338 HG11 VAL 48 1HG1 VAL 48 16.061 -17.229 -2.562
339 HG12 VAL 48 2HG1 VAL 48 16.563 -15.853 -3.547
340 HG13 VAL 48 3HG1 VAL 48 16.366 -15.666 -1.804
341 HG21 VAL 48 3HG2 VAL 48 13.001 -16.607 -1.646
342 HG22 VAL 48 1HG2 VAL 48 14.442 -16.078 -0.777
343 HG23 VAL 48 2HG2 VAL 48 13.293 -14.887 -1.387
344 H ASP 49 H ASP 49 16.602 -13.177 -3.989
345 HA ASP 49 HA ASP 49 17.339 -12.375 -1.397
346 HB2 ASP 49 1HB ASP 49 18.774 -12.539 -3.544
347 HB3 ASP 49 2HB ASP 49 18.204 -10.906 -3.875
348 H PHE 50 H PHE 50 15.204 -10.978 -3.732
349 HA PHE 50 HA PHE 50 15.222 -8.308 -2.831
350 HB2 PHE 50 1HB PHE 50 13.385 -9.991 -4.462
351 HB3 PHE 50 2HB PHE 50 12.745 -8.487 -3.806
352 HD1 PHE 50 HD2 PHE 50 14.099 -6.349 -4.270
353 HD2 PHE 50 HD1 PHE 50 14.594 -9.980 -6.434
354 HE1 PHE 50 HE2 PHE 50 15.134 -5.101 -6.121
355 HE2 PHE 50 HE1 PHE 50 15.631 -8.738 -8.288
356 HZ PHE 50 HZ PHE 50 15.900 -6.295 -8.134
357 H GLU 51 H GLU 51 14.680 -7.583 -0.892
358 HA GLU 51 HA GLU 51 12.598 -9.020 0.619
359 HB2 GLU 51 1HB GLU 51 14.704 -7.218 1.806
360 HB3 GLU 51 2HB GLU 51 13.658 -8.355 2.644
361 HG2 GLU 51 1HG GLU 51 14.824 -10.180 1.332
362 HG3 GLU 51 2HG GLU 51 16.001 -8.952 0.869
363 H ARG 52 H ARG 52 11.292 -7.667 2.090
364 HA ARG 52 HA ARG 52 10.578 -5.159 0.755
365 HB2 ARG 52 1HB ARG 52 8.819 -6.883 1.075
366 HB3 ARG 52 2HB ARG 52 9.029 -6.739 2.815
367 HG2 ARG 52 1HG ARG 52 8.368 -4.363 2.659
368 HG3 ARG 52 2HG ARG 52 8.061 -4.595 0.937
369 HD2 ARG 52 1HD ARG 52 5.956 -4.903 1.802
370 HD3 ARG 52 2HD ARG 52 6.554 -6.561 1.778
371 HE ARG 52 HE ARG 52 7.085 -5.238 4.256
372 HH11 ARG 52 1HH1 ARG 52 4.661 -6.940 2.426
373 HH12 ARG 52 2HH1 ARG 52 3.793 -7.475 3.827
374 HH21 ARG 52 1HH2 ARG 52 5.951 -5.937 6.108
375 HH22 ARG 52 2HH2 ARG 52 4.527 -6.903 5.920
376 H MET 53 H MET 53 10.440 -3.213 1.832
377 HA MET 53 HA MET 53 12.100 -2.969 4.178
378 HB2 MET 53 1HB MET 53 10.822 -1.093 2.251
379 HB3 MET 53 2HB MET 53 11.230 -0.472 3.844
380 HG2 MET 53 1HG MET 53 13.211 -1.892 2.091
381 HG3 MET 53 2HG MET 53 12.955 -0.149 2.040
382 HE1 MET 53 3HE MET 53 15.306 -2.036 2.444
383 HE2 MET 53 1HE MET 53 16.344 -1.194 3.595
384 HE3 MET 53 2HE MET 53 15.524 -2.681 4.072
385 H GLY 54 H GLY 54 11.483 -2.361 6.224
386 HA2 GLY 54 1HA GLY 54 9.804 -1.401 7.712
387 HA3 GLY 54 2HA GLY 54 8.577 -2.162 6.710
388 H GLY 55 H GLY 55 9.740 -2.334 9.652
389 HA2 GLY 55 1HA GLY 55 9.455 -5.270 9.768
390 HA3 GLY 55 2HA GLY 55 10.707 -4.445 10.685
391 H LYS 56 H LYS 56 7.220 -3.918 10.149
392 HA LYS 56 HA LYS 56 5.520 -3.480 11.597
393 HB2 LYS 56 1HB LYS 56 7.197 -5.408 13.186
394 HB3 LYS 56 2HB LYS 56 5.703 -4.746 13.836
395 HG2 LYS 56 1HG LYS 56 4.391 -5.809 12.224
396 HG3 LYS 56 2HG LYS 56 5.774 -6.116 11.171
397 HD2 LYS 56 1HD LYS 56 5.418 -8.199 12.105
398 HD3 LYS 56 2HD LYS 56 6.643 -7.526 13.183
399 HE2 LYS 56 1HE LYS 56 3.685 -7.351 13.718
400 HE3 LYS 56 2HE LYS 56 4.699 -8.666 14.311
401 HZ1 LYS 56 3HZ LYS 56 4.989 -7.338 16.067
402 HZ2 LYS 56 1HZ LYS 56 4.476 -5.949 15.249
403 HZ3 LYS 56 2HZ LYS 56 6.072 -6.485 15.086
Start of MODEL 9
1 H1 MET 1 H MET 1 2.530 -0.086 2.067
2 HA MET 1 HA MET 1 1.608 -1.370 -0.420
3 HB2 MET 1 1HB MET 1 3.274 0.214 -1.545
4 HB3 MET 1 2HB MET 1 1.770 0.911 -0.959
5 HG2 MET 1 1HG MET 1 2.799 2.034 0.761
6 HG3 MET 1 2HG MET 1 4.172 0.930 0.801
7 HE1 MET 1 3HE MET 1 4.482 4.975 -0.665
8 HE2 MET 1 1HE MET 1 2.907 4.312 -0.225
9 HE3 MET 1 2HE MET 1 4.261 4.187 0.898
10 H THR 2 H THR 2 3.340 -2.282 -1.763
11 HA THR 2 HA THR 2 5.298 -3.639 -0.084
12 HB THR 2 HB THR 2 4.506 -4.103 -2.965
13 HG1 THR 2 HG1 THR 2 2.915 -4.777 -1.510
14 HG21 THR 2 3HG2 THR 2 6.721 -4.854 -2.856
15 HG22 THR 2 1HG2 THR 2 5.769 -6.302 -2.532
16 HG23 THR 2 2HG2 THR 2 6.539 -5.437 -1.202
17 H ALA 3 H ALA 3 7.503 -3.566 -0.391
18 HA ALA 3 HA ALA 3 8.616 -1.947 -2.529
19 HB1 ALA 3 1HB ALA 3 8.038 -0.674 -0.180
20 HB2 ALA 3 2HB ALA 3 9.726 -1.132 0.048
21 HB3 ALA 3 3HB ALA 3 9.258 -0.160 -1.346
22 H TYR 4 H TYR 4 10.196 -3.160 -3.318
23 HA TYR 4 HA TYR 4 11.772 -4.814 -1.460
24 HB2 TYR 4 1HB TYR 4 10.938 -5.220 -4.314
25 HB3 TYR 4 2HB TYR 4 12.366 -6.035 -3.685
26 HD1 TYR 4 HD1 TYR 4 12.164 -7.778 -1.996
27 HD2 TYR 4 HD2 TYR 4 8.717 -5.832 -3.558
28 HE1 TYR 4 HE1 TYR 4 10.743 -9.551 -1.054
29 HE2 TYR 4 HE2 TYR 4 7.287 -7.599 -2.619
30 HH TYR 4 HH TYR 4 8.513 -9.988 -0.432
31 H ARG 5 H ARG 5 13.803 -4.227 -1.128
32 HA ARG 5 HA ARG 5 15.223 -2.764 -3.250
33 HB2 ARG 5 1HB ARG 5 14.637 -1.094 -1.645
34 HB3 ARG 5 2HB ARG 5 15.126 -2.122 -0.304
35 HG2 ARG 5 1HG ARG 5 17.210 -1.375 -0.397
36 HG3 ARG 5 2HG ARG 5 17.316 -1.702 -2.128
37 HD2 ARG 5 1HD ARG 5 17.525 0.545 -2.242
38 HD3 ARG 5 2HD ARG 5 15.764 0.483 -2.180
39 HE ARG 5 HE ARG 5 16.888 0.596 0.428
40 HH11 ARG 5 1HH1 ARG 5 16.151 2.539 -2.366
41 HH12 ARG 5 2HH1 ARG 5 15.996 4.010 -1.464
42 HH21 ARG 5 1HH2 ARG 5 16.687 2.526 1.626
43 HH22 ARG 5 2HH2 ARG 5 16.303 4.002 0.807
44 H CYS 6 H CYS 6 16.809 -4.044 -3.922
45 HA CYS 6 HA CYS 6 18.696 -5.115 -2.003
46 HB2 CYS 6 1HB CYS 6 16.670 -6.774 -3.209
47 HB3 CYS 6 2HB CYS 6 18.266 -7.287 -3.745
48 HG CYS 6 HG CYS 6 19.228 -7.519 -1.065
49 HA PRO 7 HA PRO 7 20.714 -3.514 -5.791
50 HB2 PRO 7 1HB PRO 7 22.880 -2.543 -4.472
51 HB3 PRO 7 2HB PRO 7 21.366 -1.644 -4.626
52 HG2 PRO 7 1HG PRO 7 22.379 -3.269 -2.325
53 HG3 PRO 7 2HG PRO 7 21.579 -1.687 -2.311
54 HD2 PRO 7 1HD PRO 7 20.267 -3.986 -1.744
55 HD3 PRO 7 2HD PRO 7 19.477 -2.606 -2.533
56 H VAL 8 H VAL 8 21.595 -5.767 -3.340
57 HA VAL 8 HA VAL 8 24.141 -6.552 -4.202
58 HB VAL 8 HB VAL 8 23.584 -8.763 -3.126
59 HG11 VAL 8 1HG1 VAL 8 24.371 -6.503 -2.007
60 HG12 VAL 8 2HG1 VAL 8 22.802 -6.629 -1.209
61 HG13 VAL 8 3HG1 VAL 8 23.986 -7.926 -1.039
62 HG21 VAL 8 3HG2 VAL 8 21.474 -9.337 -2.734
63 HG22 VAL 8 1HG2 VAL 8 21.231 -7.887 -1.760
64 HG23 VAL 8 2HG2 VAL 8 20.947 -7.838 -3.500
65 H CYS 9 H CYS 9 21.060 -7.017 -5.622
66 HA CYS 9 HA CYS 9 22.196 -8.999 -7.484
67 HB2 CYS 9 1HB CYS 9 19.242 -8.675 -7.216
68 HB3 CYS 9 2HB CYS 9 20.180 -10.108 -7.615
69 HG CYS 9 HG CYS 9 18.764 -9.483 -4.838
70 H ASP 10 H ASP 10 19.680 -6.475 -7.324
71 HA ASP 10 HA ASP 10 20.703 -5.248 -9.731
72 HB2 ASP 10 1HB ASP 10 18.697 -5.464 -11.047
73 HB3 ASP 10 2HB ASP 10 19.217 -7.077 -10.565
74 H TYR 11 H TYR 11 19.552 -3.228 -10.255
75 HA TYR 11 HA TYR 11 19.319 -1.511 -8.146
76 HB2 TYR 11 1HB TYR 11 18.082 -1.447 -10.886
77 HB3 TYR 11 2HB TYR 11 17.806 -0.143 -9.737
78 HD1 TYR 11 HD1 TYR 11 20.104 0.692 -8.575
79 HD2 TYR 11 HD2 TYR 11 19.775 -1.122 -12.409
80 HE1 TYR 11 HE1 TYR 11 22.227 1.738 -9.245
81 HE2 TYR 11 HE2 TYR 11 21.897 -0.083 -13.090
82 HH TYR 11 HH TYR 11 23.790 1.885 -10.824
83 H THR 12 H THR 12 17.491 -0.436 -7.166
84 HA THR 12 HA THR 12 15.230 -2.277 -6.771
85 HB THR 12 HB THR 12 16.335 -1.921 -4.695
86 HG1 THR 12 HG1 THR 12 13.907 -1.505 -4.909
87 HG21 THR 12 3HG2 THR 12 17.612 -0.109 -4.442
88 HG22 THR 12 1HG2 THR 12 16.140 0.809 -4.126
89 HG23 THR 12 2HG2 THR 12 16.792 0.723 -5.763
90 H TYR 13 H TYR 13 13.153 -1.601 -7.039
91 HA TYR 13 HA TYR 13 12.589 1.215 -7.509
92 HB2 TYR 13 1HB TYR 13 11.984 -0.908 -9.579
93 HB3 TYR 13 2HB TYR 13 11.458 0.770 -9.652
94 HD1 TYR 13 HD2 TYR 13 13.224 2.580 -9.819
95 HD2 TYR 13 HD1 TYR 13 14.105 -1.546 -10.374
96 HE1 TYR 13 HE2 TYR 13 15.308 3.186 -10.976
97 HE2 TYR 13 HE1 TYR 13 16.192 -0.951 -11.531
98 HH TYR 13 HH TYR 13 16.835 1.905 -12.811
99 H ASP 14 H ASP 14 11.069 1.485 -5.999
100 HA ASP 14 HA ASP 14 9.235 -0.540 -5.209
101 HB2 ASP 14 1HB ASP 14 9.801 1.085 -3.572
102 HB3 ASP 14 2HB ASP 14 9.402 2.419 -4.651
103 H GLU 15 H GLU 15 7.208 -0.973 -5.871
104 HA GLU 15 HA GLU 15 6.302 -0.186 -8.377
105 HB2 GLU 15 1HB GLU 15 4.113 -1.145 -7.682
106 HB3 GLU 15 2HB GLU 15 5.478 -2.203 -7.353
107 HG2 GLU 15 1HG GLU 15 4.278 -2.394 -5.415
108 HG3 GLU 15 2HG GLU 15 5.408 -1.108 -4.995
109 H GLY 16 H GLY 16 5.753 1.238 -5.223
110 HA2 GLY 16 1HA GLY 16 3.758 3.086 -6.262
111 HA3 GLY 16 2HA GLY 16 4.320 2.982 -4.600
112 H LYS 17 H LYS 17 6.853 3.025 -6.844
113 HA LYS 17 HA LYS 17 7.553 5.731 -6.035
114 HB2 LYS 17 1HB LYS 17 9.066 3.510 -6.286
115 HB3 LYS 17 2HB LYS 17 9.319 4.223 -7.874
116 HG2 LYS 17 1HG LYS 17 11.062 5.082 -6.619
117 HG3 LYS 17 2HG LYS 17 9.867 6.380 -6.583
118 HD2 LYS 17 1HD LYS 17 10.303 6.311 -4.361
119 HD3 LYS 17 2HD LYS 17 9.107 5.013 -4.402
120 HE2 LYS 17 1HE LYS 17 11.105 3.458 -4.820
121 HE3 LYS 17 2HE LYS 17 12.100 4.812 -4.287
122 HZ1 LYS 17 3HZ LYS 17 11.678 4.257 -2.202
123 HZ2 LYS 17 1HZ LYS 17 10.729 2.953 -2.714
124 HZ3 LYS 17 2HZ LYS 17 10.017 4.464 -2.448
125 H GLY 18 H GLY 18 7.145 3.889 -9.055
126 HA2 GLY 18 1HA GLY 18 6.231 4.654 -11.057
127 HA3 GLY 18 2HA GLY 18 6.167 6.275 -10.379
128 H ASP 19 H ASP 19 8.346 3.859 -11.762
129 HA ASP 19 HA ASP 19 10.154 6.050 -12.543
130 HB2 ASP 19 1HB ASP 19 11.843 4.135 -12.824
131 HB3 ASP 19 2HB ASP 19 11.413 4.602 -11.181
132 HA PRO 20 HA PRO 20 8.175 4.470 -16.428
133 HB2 PRO 20 1HB PRO 20 7.791 6.932 -17.505
134 HB3 PRO 20 2HB PRO 20 6.632 6.171 -16.408
135 HG2 PRO 20 1HG PRO 20 8.720 8.235 -15.824
136 HG3 PRO 20 2HG PRO 20 7.042 8.150 -15.257
137 HD2 PRO 20 1HD PRO 20 9.139 7.392 -13.721
138 HD3 PRO 20 2HD PRO 20 7.544 6.620 -13.608
139 H ARG 21 H ARG 21 10.952 6.201 -15.545
140 HA ARG 21 HA ARG 21 11.985 6.651 -18.188
141 HB2 ARG 21 1HB ARG 21 13.157 6.845 -15.423
142 HB3 ARG 21 2HB ARG 21 14.154 7.039 -16.859
143 HG2 ARG 21 1HG ARG 21 13.237 9.051 -17.398
144 HG3 ARG 21 2HG ARG 21 11.680 8.663 -16.663
145 HD2 ARG 21 1HD ARG 21 12.449 10.159 -15.127
146 HD3 ARG 21 2HD ARG 21 13.134 8.682 -14.453
147 HE ARG 21 HE ARG 21 15.207 9.531 -14.864
148 HH11 ARG 21 1HH1 ARG 21 12.916 11.168 -16.911
149 HH12 ARG 21 2HH1 ARG 21 14.081 12.283 -17.543
150 HH21 ARG 21 1HH2 ARG 21 16.750 10.994 -15.689
151 HH22 ARG 21 2HH2 ARG 21 16.261 12.183 -16.849
152 H GLU 22 H GLU 22 11.970 4.047 -15.927
153 HA GLU 22 HA GLU 22 14.101 2.651 -17.378
154 HB2 GLU 22 1HB GLU 22 12.843 2.306 -14.684
155 HB3 GLU 22 2HB GLU 22 13.627 0.931 -15.449
156 HG2 GLU 22 1HG GLU 22 14.895 3.573 -14.767
157 HG3 GLU 22 2HG GLU 22 15.164 2.028 -13.960
158 H GLY 23 H GLY 23 11.252 3.120 -18.286
159 HA2 GLY 23 1HA GLY 23 9.854 1.915 -19.677
160 HA3 GLY 23 2HA GLY 23 10.852 0.498 -19.384
161 H PHE 24 H PHE 24 9.622 2.202 -16.651
162 HA PHE 24 HA PHE 24 7.346 0.387 -16.395
163 HB2 PHE 24 1HB PHE 24 9.389 0.699 -14.190
164 HB3 PHE 24 2HB PHE 24 7.978 -0.353 -14.188
165 HD1 PHE 24 HD1 PHE 24 7.910 -2.075 -16.194
166 HD2 PHE 24 HD2 PHE 24 11.430 -0.222 -14.682
167 HE1 PHE 24 HE1 PHE 24 9.269 -3.901 -17.130
168 HE2 PHE 24 HE2 PHE 24 12.795 -2.043 -15.616
169 HZ PHE 24 HZ PHE 24 11.715 -3.886 -16.842
170 HA PRO 25 HA PRO 25 6.261 4.673 -15.139
171 HB2 PRO 25 1HB PRO 25 3.757 4.567 -16.182
172 HB3 PRO 25 2HB PRO 25 5.180 4.985 -17.142
173 HG2 PRO 25 1HG PRO 25 3.745 2.367 -16.925
174 HG3 PRO 25 2HG PRO 25 4.381 3.178 -18.368
175 HD2 PRO 25 1HD PRO 25 5.686 1.145 -17.144
176 HD3 PRO 25 2HD PRO 25 6.537 2.466 -17.971
177 H ALA 26 H ALA 26 4.094 5.370 -14.040
178 HA ALA 26 HA ALA 26 3.852 4.088 -11.610
179 HB1 ALA 26 1HB ALA 26 2.870 6.382 -12.644
180 HB2 ALA 26 2HB ALA 26 1.399 5.413 -12.548
181 HB3 ALA 26 3HB ALA 26 2.364 5.697 -11.099
182 H GLY 27 H GLY 27 2.410 2.624 -10.708
183 HA2 GLY 27 1HA GLY 27 0.573 1.139 -10.726
184 HA3 GLY 27 2HA GLY 27 0.463 1.333 -12.469
185 H THR 28 H THR 28 3.407 0.896 -12.727
186 HA THR 28 HA THR 28 3.329 -1.887 -13.210
187 HB THR 28 HB THR 28 5.718 -0.038 -13.065
188 HG1 THR 28 HG1 THR 28 4.035 0.377 -14.694
189 HG21 THR 28 3HG2 THR 28 6.671 -1.854 -14.627
190 HG22 THR 28 1HG2 THR 28 5.411 -2.889 -13.956
191 HG23 THR 28 2HG2 THR 28 6.630 -2.185 -12.895
192 H ARG 29 H ARG 29 3.213 -3.341 -11.622
193 HA ARG 29 HA ARG 29 4.528 -2.870 -9.076
194 HB2 ARG 29 1HB ARG 29 2.657 -4.992 -10.103
195 HB3 ARG 29 2HB ARG 29 3.484 -5.166 -8.561
196 HG2 ARG 29 1HG ARG 29 2.483 -2.814 -8.070
197 HG3 ARG 29 2HG ARG 29 1.358 -3.236 -9.362
198 HD2 ARG 29 1HD ARG 29 0.744 -5.275 -8.164
199 HD3 ARG 29 2HD ARG 29 1.881 -4.869 -6.880
200 HE ARG 29 HE ARG 29 0.264 -2.704 -6.981
201 HH11 ARG 29 1HH1 ARG 29 -0.330 -6.124 -6.722
202 HH12 ARG 29 2HH1 ARG 29 -1.791 -5.934 -5.811
203 HH21 ARG 29 1HH2 ARG 29 -1.658 -2.440 -5.782
204 HH22 ARG 29 2HH2 ARG 29 -2.546 -3.838 -5.277
205 H TRP 30 H TRP 30 6.118 -4.198 -8.177
206 HA TRP 30 HA TRP 30 8.190 -5.006 -9.808
207 HB2 TRP 30 1HB TRP 30 9.030 -6.273 -7.827
208 HB3 TRP 30 2HB TRP 30 8.545 -4.621 -7.452
209 HD1 TRP 30 HD1 TRP 30 6.219 -4.322 -6.067
210 HE1 TRP 30 HE1 TRP 30 5.041 -5.911 -4.421
211 HE3 TRP 30 HE3 TRP 30 8.583 -8.681 -7.314
212 HZ2 TRP 30 HZ2 TRP 30 5.105 -8.650 -3.740
213 HZ3 TRP 30 HZ3 TRP 30 7.966 -10.740 -6.117
214 HH2 TRP 30 HH2 TRP 30 6.263 -10.723 -4.367
215 H ASP 31 H ASP 31 5.355 -6.778 -8.820
216 HA ASP 31 HA ASP 31 6.205 -9.384 -9.410
217 HB2 ASP 31 1HB ASP 31 4.132 -8.874 -8.176
218 HB3 ASP 31 2HB ASP 31 3.421 -8.221 -9.650
219 H GLN 32 H GLN 32 4.907 -6.832 -11.454
220 HA GLN 32 HA GLN 32 4.458 -8.378 -13.762
221 HB2 GLN 32 1HB GLN 32 3.622 -6.041 -13.336
222 HB3 GLN 32 2HB GLN 32 5.245 -5.464 -13.689
223 HG2 GLN 32 1HG GLN 32 3.667 -5.291 -15.592
224 HG3 GLN 32 2HG GLN 32 5.113 -6.239 -15.938
225 HE21 GLN 32 2HE2 GLN 32 1.932 -6.858 -14.481
226 HE22 GLN 32 1HE2 GLN 32 1.579 -8.255 -15.434
227 H ILE 33 H ILE 33 7.342 -7.034 -12.375
228 HA ILE 33 HA ILE 33 9.047 -6.872 -14.536
229 HB ILE 33 HB ILE 33 9.757 -7.910 -11.790
230 HG12 ILE 33 1HG1 ILE 33 8.632 -5.734 -11.689
231 HG13 ILE 33 2HG1 ILE 33 10.338 -5.575 -11.285
232 HG21 ILE 33 1HG2 ILE 33 12.010 -7.187 -12.286
233 HG22 ILE 33 2HG2 ILE 33 11.467 -8.328 -13.516
234 HG23 ILE 33 3HG2 ILE 33 11.503 -6.601 -13.870
235 HD11 ILE 33 3HD1 ILE 33 10.814 -4.687 -13.469
236 HD12 ILE 33 1HD1 ILE 33 9.147 -4.954 -13.976
237 HD13 ILE 33 2HD1 ILE 33 9.509 -3.765 -12.725
238 HA PRO 34 HA PRO 34 9.275 -11.019 -16.056
239 HB2 PRO 34 1HB PRO 34 11.434 -10.680 -17.667
240 HB3 PRO 34 2HB PRO 34 9.825 -10.074 -18.077
241 HG2 PRO 34 1HG PRO 34 12.159 -8.610 -16.905
242 HG3 PRO 34 2HG PRO 34 11.043 -8.096 -18.184
243 HD2 PRO 34 1HD PRO 34 10.815 -7.246 -15.623
244 HD3 PRO 34 2HD PRO 34 9.408 -7.475 -16.682
245 H ASP 35 H ASP 35 9.956 -12.571 -14.712
246 HA ASP 35 HA ASP 35 12.296 -12.401 -13.125
247 HB2 ASP 35 1HB ASP 35 10.935 -14.996 -13.800
248 HB3 ASP 35 2HB ASP 35 11.723 -14.522 -12.298
249 H ASP 36 H ASP 36 11.838 -13.174 -16.380
250 HA ASP 36 HA ASP 36 14.029 -15.018 -16.647
251 HB2 ASP 36 1HB ASP 36 12.713 -13.439 -18.858
252 HB3 ASP 36 2HB ASP 36 13.585 -14.964 -18.992
253 H TRP 37 H TRP 37 13.666 -11.612 -16.534
254 HA TRP 37 HA TRP 37 15.722 -10.670 -18.114
255 HB2 TRP 37 1HB TRP 37 13.999 -9.542 -16.323
256 HB3 TRP 37 2HB TRP 37 15.533 -9.375 -15.474
257 HD1 TRP 37 HD1 TRP 37 17.080 -7.438 -16.214
258 HE1 TRP 37 HE1 TRP 37 17.002 -5.669 -18.082
259 HE3 TRP 37 HE3 TRP 37 13.134 -9.267 -18.900
260 HZ2 TRP 37 HZ2 TRP 37 15.470 -5.121 -20.388
261 HZ3 TRP 37 HZ3 TRP 37 12.425 -8.061 -20.925
262 HH2 TRP 37 HH2 TRP 37 13.570 -6.031 -21.651
263 H CYS 38 H CYS 38 17.892 -10.662 -18.027
264 HA CYS 38 HA CYS 38 19.149 -12.079 -15.785
265 HB2 CYS 38 1HB CYS 38 19.948 -11.639 -18.651
266 HB3 CYS 38 2HB CYS 38 21.136 -12.122 -17.446
267 HG CYS 38 HG CYS 38 18.480 -14.078 -17.282
268 H CYS 39 H CYS 39 20.494 -11.076 -14.425
269 HA CYS 39 HA CYS 39 21.365 -8.346 -15.113
270 HB2 CYS 39 1HB CYS 39 19.983 -9.387 -12.755
271 HB3 CYS 39 2HB CYS 39 21.427 -8.465 -12.354
272 HG CYS 39 HG CYS 39 18.601 -7.217 -12.676
273 HA PRO 40 HA PRO 40 25.535 -9.474 -14.360
274 HB2 PRO 40 1HB PRO 40 26.520 -7.287 -13.089
275 HB3 PRO 40 2HB PRO 40 26.109 -7.296 -14.808
276 HG2 PRO 40 1HG PRO 40 24.526 -6.263 -12.487
277 HG3 PRO 40 2HG PRO 40 24.780 -5.531 -14.082
278 HD2 PRO 40 1HD PRO 40 22.514 -6.864 -13.435
279 HD3 PRO 40 2HD PRO 40 23.177 -6.850 -15.082
280 H ASP 41 H ASP 41 24.169 -7.866 -11.480
281 HA ASP 41 HA ASP 41 25.861 -9.379 -9.705
282 HB2 ASP 41 1HB ASP 41 24.052 -7.096 -9.502
283 HB3 ASP 41 2HB ASP 41 23.909 -8.198 -8.135
284 H CYS 42 H CYS 42 22.350 -9.193 -10.282
285 HA CYS 42 HA CYS 42 21.565 -11.207 -8.537
286 HB2 CYS 42 1HB CYS 42 20.021 -9.647 -9.702
287 HB3 CYS 42 2HB CYS 42 20.299 -10.529 -11.199
288 HG CYS 42 HG CYS 42 18.856 -12.680 -10.640
289 H SER 43 H SER 43 23.178 -11.419 -11.573
290 HA SER 43 HA SER 43 22.465 -13.896 -12.535
291 HB2 SER 43 1HB SER 43 23.958 -12.972 -13.980
292 HB3 SER 43 2HB SER 43 24.886 -12.206 -12.691
293 HG SER 43 HG SER 43 25.167 -14.719 -13.839
294 H VAL 44 H VAL 44 24.436 -13.114 -9.764
295 HA VAL 44 HA VAL 44 24.955 -15.978 -9.319
296 HB VAL 44 HB VAL 44 26.314 -13.652 -7.957
297 HG11 VAL 44 1HG1 VAL 44 26.509 -16.594 -7.780
298 HG12 VAL 44 2HG1 VAL 44 28.032 -15.703 -7.770
299 HG13 VAL 44 3HG1 VAL 44 26.800 -15.360 -6.554
300 HG21 VAL 44 3HG2 VAL 44 26.981 -13.426 -10.186
301 HG22 VAL 44 1HG2 VAL 44 28.262 -14.394 -9.455
302 HG23 VAL 44 2HG2 VAL 44 27.026 -15.170 -10.446
303 H ARG 45 H ARG 45 23.213 -13.260 -8.186
304 HA ARG 45 HA ARG 45 22.660 -14.566 -5.614
305 HB2 ARG 45 1HB ARG 45 23.377 -12.043 -5.936
306 HB3 ARG 45 2HB ARG 45 21.665 -11.829 -6.272
307 HG2 ARG 45 1HG ARG 45 22.050 -11.369 -3.962
308 HG3 ARG 45 2HG ARG 45 21.158 -12.887 -4.085
309 HD2 ARG 45 1HD ARG 45 23.036 -12.898 -2.428
310 HD3 ARG 45 2HD ARG 45 23.119 -14.165 -3.652
311 HE ARG 45 HE ARG 45 24.595 -11.817 -4.370
312 HH11 ARG 45 1HH1 ARG 45 24.693 -14.788 -2.558
313 HH12 ARG 45 2HH1 ARG 45 26.420 -14.916 -2.610
314 HH21 ARG 45 1HH2 ARG 45 26.869 -11.973 -4.445
315 HH22 ARG 45 2HH2 ARG 45 27.657 -13.314 -3.683
316 H GLU 46 H GLU 46 20.883 -15.755 -5.502
317 HA GLU 46 HA GLU 46 18.956 -16.009 -7.470
318 HB2 GLU 46 1HB GLU 46 18.999 -16.668 -4.548
319 HB3 GLU 46 2HB GLU 46 17.513 -16.875 -5.465
320 HG2 GLU 46 1HG GLU 46 20.139 -18.127 -6.225
321 HG3 GLU 46 2HG GLU 46 18.908 -18.926 -5.249
322 H LYS 47 H LYS 47 16.962 -15.132 -7.859
323 HA LYS 47 HA LYS 47 16.518 -12.454 -7.225
324 HB2 LYS 47 1HB LYS 47 15.499 -13.996 -9.086
325 HB3 LYS 47 2HB LYS 47 14.229 -14.265 -7.899
326 HG2 LYS 47 1HG LYS 47 13.376 -12.196 -8.142
327 HG3 LYS 47 2HG LYS 47 14.960 -11.452 -8.375
328 HD2 LYS 47 1HD LYS 47 14.996 -11.946 -10.645
329 HD3 LYS 47 2HD LYS 47 13.796 -13.230 -10.485
330 HE2 LYS 47 1HE LYS 47 13.162 -10.331 -9.989
331 HE3 LYS 47 2HE LYS 47 13.013 -11.082 -11.578
332 HZ1 LYS 47 3HZ LYS 47 11.707 -12.414 -9.329
333 HZ2 LYS 47 1HZ LYS 47 11.219 -12.290 -10.944
334 HZ3 LYS 47 2HZ LYS 47 11.008 -10.981 -9.894
335 H VAL 48 H VAL 48 15.767 -15.321 -5.465
336 HA VAL 48 HA VAL 48 13.646 -14.336 -3.874
337 HB VAL 48 HB VAL 48 14.228 -16.747 -4.093
338 HG11 VAL 48 1HG1 VAL 48 16.216 -16.699 -1.960
339 HG12 VAL 48 2HG1 VAL 48 16.198 -17.606 -3.474
340 HG13 VAL 48 3HG1 VAL 48 16.772 -15.938 -3.451
341 HG21 VAL 48 3HG2 VAL 48 13.528 -17.333 -1.924
342 HG22 VAL 48 1HG2 VAL 48 14.302 -15.920 -1.205
343 HG23 VAL 48 2HG2 VAL 48 12.861 -15.724 -2.202
344 H ASP 49 H ASP 49 16.940 -13.572 -3.941
345 HA ASP 49 HA ASP 49 17.475 -13.077 -1.225
346 HB2 ASP 49 1HB ASP 49 19.192 -13.159 -3.034
347 HB3 ASP 49 2HB ASP 49 18.607 -11.600 -3.609
348 H PHE 50 H PHE 50 15.494 -11.433 -3.480
349 HA PHE 50 HA PHE 50 15.603 -8.808 -2.515
350 HB2 PHE 50 1HB PHE 50 13.696 -10.412 -4.115
351 HB3 PHE 50 2HB PHE 50 13.031 -8.984 -3.329
352 HD1 PHE 50 HD1 PHE 50 14.228 -6.759 -3.725
353 HD2 PHE 50 HD2 PHE 50 14.853 -10.223 -6.117
354 HE1 PHE 50 HE1 PHE 50 15.121 -5.346 -5.531
355 HE2 PHE 50 HE2 PHE 50 15.747 -8.816 -7.927
356 HZ PHE 50 HZ PHE 50 15.883 -6.375 -7.635
357 H GLU 51 H GLU 51 14.931 -7.894 -0.689
358 HA GLU 51 HA GLU 51 12.943 -9.323 0.948
359 HB2 GLU 51 1HB GLU 51 14.194 -8.342 2.944
360 HB3 GLU 51 2HB GLU 51 14.961 -9.683 2.106
361 HG2 GLU 51 1HG GLU 51 16.648 -8.397 1.287
362 HG3 GLU 51 2HG GLU 51 15.663 -6.935 1.246
363 H ARG 52 H ARG 52 11.334 -8.121 1.819
364 HA ARG 52 HA ARG 52 10.721 -5.615 0.734
365 HB2 ARG 52 1HB ARG 52 8.800 -5.646 2.065
366 HB3 ARG 52 2HB ARG 52 9.169 -7.351 1.838
367 HG2 ARG 52 1HG ARG 52 9.891 -5.725 4.268
368 HG3 ARG 52 2HG ARG 52 8.520 -6.829 4.142
369 HD2 ARG 52 1HD ARG 52 10.133 -8.662 3.639
370 HD3 ARG 52 2HD ARG 52 11.446 -7.530 3.963
371 HE ARG 52 HE ARG 52 9.711 -7.549 6.164
372 HH11 ARG 52 1HH1 ARG 52 11.987 -9.626 4.544
373 HH12 ARG 52 2HH1 ARG 52 12.407 -10.502 5.978
374 HH21 ARG 52 1HH2 ARG 52 10.256 -8.695 8.059
375 HH22 ARG 52 2HH2 ARG 52 11.422 -9.972 7.977
376 H MET 53 H MET 53 10.813 -3.531 1.542
377 HA MET 53 HA MET 53 12.411 -3.142 3.982
378 HB2 MET 53 1HB MET 53 12.873 -2.107 1.243
379 HB3 MET 53 2HB MET 53 13.126 -0.971 2.561
380 HG2 MET 53 1HG MET 53 14.414 -3.684 2.431
381 HG3 MET 53 2HG MET 53 15.159 -2.212 1.810
382 HE1 MET 53 3HE MET 53 17.179 -3.357 4.523
383 HE2 MET 53 1HE MET 53 17.056 -2.677 2.900
384 HE3 MET 53 2HE MET 53 17.403 -1.625 4.272
385 H GLY 54 H GLY 54 11.160 -2.177 5.439
386 HA2 GLY 54 1HA GLY 54 9.778 -0.609 6.401
387 HA3 GLY 54 2HA GLY 54 9.932 0.337 4.928
388 H GLY 55 H GLY 55 8.078 -2.107 6.599
389 HA2 GLY 55 1HA GLY 55 6.126 -2.252 4.435
390 HA3 GLY 55 2HA GLY 55 6.114 -3.202 5.913
391 H LYS 56 H LYS 56 5.515 -2.072 7.915
392 HA LYS 56 HA LYS 56 3.125 -0.591 7.560
393 HB2 LYS 56 1HB LYS 56 3.095 -0.434 10.009
394 HB3 LYS 56 2HB LYS 56 3.452 -2.072 9.475
395 HG2 LYS 56 1HG LYS 56 5.620 -1.991 10.215
396 HG3 LYS 56 2HG LYS 56 5.712 -0.233 10.088
397 HD2 LYS 56 1HD LYS 56 3.857 -0.360 11.970
398 HD3 LYS 56 2HD LYS 56 4.604 -1.931 12.266
399 HE2 LYS 56 1HE LYS 56 6.818 -0.475 12.130
400 HE3 LYS 56 2HE LYS 56 5.708 0.805 12.619
401 HZ1 LYS 56 3HZ LYS 56 5.177 -0.331 14.589
402 HZ2 LYS 56 1HZ LYS 56 6.860 -0.441 14.460
403 HZ3 LYS 56 2HZ LYS 56 5.894 -1.772 14.066
Start of MODEL 10
1 H1 MET 1 H MET 1 2.055 -0.206 2.306
2 HA MET 1 HA MET 1 1.866 -1.580 -0.076
3 HB2 MET 1 1HB MET 1 3.694 0.721 0.629
4 HB3 MET 1 2HB MET 1 3.379 0.172 -1.011
5 HG2 MET 1 1HG MET 1 1.181 1.046 0.832
6 HG3 MET 1 2HG MET 1 2.072 2.179 -0.182
7 HE1 MET 1 3HE MET 1 1.618 2.258 -3.057
8 HE2 MET 1 1HE MET 1 -0.141 2.384 -3.015
9 HE3 MET 1 2HE MET 1 0.826 3.119 -1.736
10 H THR 2 H THR 2 3.555 -2.286 -1.569
11 HA THR 2 HA THR 2 5.547 -3.889 -0.168
12 HB THR 2 HB THR 2 4.695 -3.901 -3.070
13 HG1 THR 2 HG1 THR 2 3.092 -4.875 -1.971
14 HG21 THR 2 3HG2 THR 2 5.928 -6.216 -2.859
15 HG22 THR 2 1HG2 THR 2 6.815 -5.384 -1.583
16 HG23 THR 2 2HG2 THR 2 6.830 -4.747 -3.227
17 H ALA 3 H ALA 3 7.745 -3.780 -0.527
18 HA ALA 3 HA ALA 3 8.820 -1.866 -2.421
19 HB1 ALA 3 1HB ALA 3 8.382 -1.095 0.259
20 HB2 ALA 3 2HB ALA 3 10.122 -1.296 0.051
21 HB3 ALA 3 3HB ALA 3 9.228 -0.206 -1.008
22 H TYR 4 H TYR 4 10.388 -2.954 -3.395
23 HA TYR 4 HA TYR 4 11.994 -4.844 -1.807
24 HB2 TYR 4 1HB TYR 4 11.186 -4.842 -4.707
25 HB3 TYR 4 2HB TYR 4 12.544 -5.803 -4.135
26 HD1 TYR 4 HD1 TYR 4 12.153 -7.624 -2.480
27 HD2 TYR 4 HD2 TYR 4 8.941 -5.527 -4.320
28 HE1 TYR 4 HE1 TYR 4 10.610 -9.421 -1.818
29 HE2 TYR 4 HE2 TYR 4 7.388 -7.318 -3.663
30 HH TYR 4 HH TYR 4 8.268 -10.289 -2.800
31 H ARG 5 H ARG 5 13.787 -3.808 -1.177
32 HA ARG 5 HA ARG 5 15.272 -2.265 -3.202
33 HB2 ARG 5 1HB ARG 5 14.411 -0.979 -1.216
34 HB3 ARG 5 2HB ARG 5 15.468 -1.956 -0.204
35 HG2 ARG 5 1HG ARG 5 16.759 -0.632 -2.495
36 HG3 ARG 5 2HG ARG 5 16.151 0.433 -1.225
37 HD2 ARG 5 1HD ARG 5 17.971 -1.929 -0.772
38 HD3 ARG 5 2HD ARG 5 18.509 -0.254 -0.893
39 HE ARG 5 HE ARG 5 16.568 -0.321 1.078
40 HH11 ARG 5 1HH1 ARG 5 19.703 -1.724 0.509
41 HH12 ARG 5 2HH1 ARG 5 20.110 -1.819 2.191
42 HH21 ARG 5 1HH2 ARG 5 17.093 -0.441 3.295
43 HH22 ARG 5 2HH2 ARG 5 18.624 -1.089 3.774
44 H CYS 6 H CYS 6 16.765 -3.613 -4.009
45 HA CYS 6 HA CYS 6 18.788 -4.651 -2.216
46 HB2 CYS 6 1HB CYS 6 16.828 -6.380 -3.617
47 HB3 CYS 6 2HB CYS 6 18.508 -6.899 -3.674
48 HG CYS 6 HG CYS 6 18.814 -7.441 -1.087
49 HA PRO 7 HA PRO 7 20.535 -3.012 -6.120
50 HB2 PRO 7 1HB PRO 7 22.766 -2.012 -4.940
51 HB3 PRO 7 2HB PRO 7 21.232 -1.136 -4.992
52 HG2 PRO 7 1HG PRO 7 22.416 -2.752 -2.768
53 HG3 PRO 7 2HG PRO 7 21.595 -1.182 -2.696
54 HD2 PRO 7 1HD PRO 7 20.357 -3.503 -2.055
55 HD3 PRO 7 2HD PRO 7 19.497 -2.133 -2.785
56 H VAL 8 H VAL 8 21.414 -5.400 -3.886
57 HA VAL 8 HA VAL 8 23.982 -6.108 -4.840
58 HB VAL 8 HB VAL 8 23.668 -8.224 -3.690
59 HG11 VAL 8 1HG1 VAL 8 22.385 -6.777 -1.606
60 HG12 VAL 8 2HG1 VAL 8 24.102 -7.127 -1.811
61 HG13 VAL 8 3HG1 VAL 8 23.410 -5.662 -2.508
62 HG21 VAL 8 3HG2 VAL 8 21.259 -8.217 -2.447
63 HG22 VAL 8 1HG2 VAL 8 20.830 -7.534 -4.015
64 HG23 VAL 8 2HG2 VAL 8 21.612 -9.112 -3.925
65 H CYS 9 H CYS 9 20.833 -6.554 -6.114
66 HA CYS 9 HA CYS 9 21.892 -8.457 -8.099
67 HB2 CYS 9 1HB CYS 9 19.287 -8.898 -8.369
68 HB3 CYS 9 2HB CYS 9 20.242 -9.739 -7.154
69 HG CYS 9 HG CYS 9 18.382 -9.189 -5.442
70 H ASP 10 H ASP 10 19.378 -5.966 -7.666
71 HA ASP 10 HA ASP 10 20.178 -4.698 -10.143
72 HB2 ASP 10 1HB ASP 10 18.596 -6.448 -10.893
73 HB3 ASP 10 2HB ASP 10 17.368 -5.774 -9.825
74 H TYR 11 H TYR 11 19.040 -2.643 -10.499
75 HA TYR 11 HA TYR 11 19.055 -0.979 -8.327
76 HB2 TYR 11 1HB TYR 11 17.768 -0.827 -11.013
77 HB3 TYR 11 2HB TYR 11 17.323 0.383 -9.815
78 HD1 TYR 11 HD2 TYR 11 19.328 1.587 -8.633
79 HD2 TYR 11 HD1 TYR 11 19.625 -0.462 -12.350
80 HE1 TYR 11 HE2 TYR 11 21.353 2.874 -9.174
81 HE2 TYR 11 HE1 TYR 11 21.651 0.819 -12.901
82 HH TYR 11 HH TYR 11 22.961 2.538 -12.308
83 H THR 12 H THR 12 17.346 0.129 -7.176
84 HA THR 12 HA THR 12 15.070 -1.656 -6.637
85 HB THR 12 HB THR 12 16.339 -1.391 -4.649
86 HG1 THR 12 HG1 THR 12 14.374 0.593 -4.248
87 HG21 THR 12 3HG2 THR 12 16.519 1.140 -3.818
88 HG22 THR 12 1HG2 THR 12 16.570 1.424 -5.558
89 HG23 THR 12 2HG2 THR 12 17.769 0.377 -4.799
90 H TYR 13 H TYR 13 13.023 -0.955 -6.876
91 HA TYR 13 HA TYR 13 12.461 1.890 -7.109
92 HB2 TYR 13 1HB TYR 13 11.104 1.362 -9.239
93 HB3 TYR 13 2HB TYR 13 12.849 1.529 -9.390
94 HD1 TYR 13 HD1 TYR 13 14.263 -0.487 -9.681
95 HD2 TYR 13 HD2 TYR 13 10.014 -0.715 -9.689
96 HE1 TYR 13 HE1 TYR 13 14.391 -2.715 -10.715
97 HE2 TYR 13 HE2 TYR 13 10.130 -2.944 -10.722
98 HH TYR 13 HH TYR 13 12.791 -4.814 -10.768
99 H ASP 14 H ASP 14 10.964 2.066 -5.568
100 HA ASP 14 HA ASP 14 9.151 -0.013 -4.871
101 HB2 ASP 14 1HB ASP 14 9.792 1.535 -3.163
102 HB3 ASP 14 2HB ASP 14 9.273 2.912 -4.131
103 H GLU 15 H GLU 15 7.031 -0.314 -5.385
104 HA GLU 15 HA GLU 15 6.074 0.509 -7.857
105 HB2 GLU 15 1HB GLU 15 4.920 -0.826 -5.483
106 HB3 GLU 15 2HB GLU 15 3.765 -0.074 -6.575
107 HG2 GLU 15 1HG GLU 15 4.334 -2.526 -6.952
108 HG3 GLU 15 2HG GLU 15 4.356 -1.455 -8.352
109 H GLY 16 H GLY 16 5.533 1.892 -4.653
110 HA2 GLY 16 1HA GLY 16 3.658 3.857 -5.623
111 HA3 GLY 16 2HA GLY 16 4.335 3.767 -4.003
112 H LYS 17 H LYS 17 6.895 3.596 -6.045
113 HA LYS 17 HA LYS 17 7.335 6.503 -5.885
114 HB2 LYS 17 1HB LYS 17 8.851 4.798 -4.635
115 HB3 LYS 17 2HB LYS 17 9.536 4.490 -6.225
116 HG2 LYS 17 1HG LYS 17 10.962 6.113 -5.586
117 HG3 LYS 17 2HG LYS 17 9.683 7.159 -6.207
118 HD2 LYS 17 1HD LYS 17 8.771 6.936 -3.744
119 HD3 LYS 17 2HD LYS 17 10.460 6.563 -3.392
120 HE2 LYS 17 1HE LYS 17 11.176 8.658 -4.313
121 HE3 LYS 17 2HE LYS 17 9.552 9.009 -4.901
122 HZ1 LYS 17 3HZ LYS 17 9.502 8.504 -2.117
123 HZ2 LYS 17 1HZ LYS 17 9.029 9.895 -2.955
124 HZ3 LYS 17 2HZ LYS 17 10.635 9.713 -2.459
125 H GLY 18 H GLY 18 7.523 3.676 -7.961
126 HA2 GLY 18 1HA GLY 18 7.361 3.593 -10.273
127 HA3 GLY 18 2HA GLY 18 7.341 5.350 -10.302
128 H ASP 19 H ASP 19 8.769 3.781 -12.139
129 HA ASP 19 HA ASP 19 11.285 5.028 -12.066
130 HB2 ASP 19 1HB ASP 19 11.417 3.075 -10.298
131 HB3 ASP 19 2HB ASP 19 11.647 2.078 -11.732
132 HA PRO 20 HA PRO 20 9.762 3.381 -16.128
133 HB2 PRO 20 1HB PRO 20 9.965 5.755 -17.429
134 HB3 PRO 20 2HB PRO 20 8.529 5.281 -16.514
135 HG2 PRO 20 1HG PRO 20 10.787 7.070 -15.702
136 HG3 PRO 20 2HG PRO 20 9.045 7.283 -15.450
137 HD2 PRO 20 1HD PRO 20 10.700 6.385 -13.503
138 HD3 PRO 20 2HD PRO 20 9.008 5.865 -13.632
139 H ARG 21 H ARG 21 12.586 4.777 -14.875
140 HA ARG 21 HA ARG 21 14.183 5.082 -17.154
141 HB2 ARG 21 1HB ARG 21 14.673 4.694 -14.252
142 HB3 ARG 21 2HB ARG 21 16.019 4.359 -15.333
143 HG2 ARG 21 1HG ARG 21 16.387 6.563 -14.892
144 HG3 ARG 21 2HG ARG 21 15.378 6.701 -16.333
145 HD2 ARG 21 1HD ARG 21 13.405 7.005 -14.896
146 HD3 ARG 21 2HD ARG 21 14.443 6.915 -13.473
147 HE ARG 21 HE ARG 21 14.112 9.160 -15.242
148 HH11 ARG 21 1HH1 ARG 21 16.199 7.614 -12.923
149 HH12 ARG 21 2HH1 ARG 21 17.028 9.075 -12.500
150 HH21 ARG 21 1HH2 ARG 21 15.196 11.090 -14.693
151 HH22 ARG 21 2HH2 ARG 21 16.456 11.052 -13.506
152 H GLU 22 H GLU 22 13.091 2.250 -15.498
153 HA GLU 22 HA GLU 22 14.923 0.580 -17.084
154 HB2 GLU 22 1HB GLU 22 13.408 0.000 -14.538
155 HB3 GLU 22 2HB GLU 22 14.240 -1.239 -15.467
156 HG2 GLU 22 1HG GLU 22 15.531 1.182 -14.231
157 HG3 GLU 22 2HG GLU 22 15.572 -0.455 -13.579
158 H GLY 23 H GLY 23 12.359 1.874 -17.938
159 HA2 GLY 23 1HA GLY 23 10.742 1.261 -19.473
160 HA3 GLY 23 2HA GLY 23 11.301 -0.400 -19.337
161 H PHE 24 H PHE 24 10.531 1.175 -16.394
162 HA PHE 24 HA PHE 24 7.858 -0.048 -16.368
163 HB2 PHE 24 1HB PHE 24 9.813 -0.182 -14.065
164 HB3 PHE 24 2HB PHE 24 8.218 -0.922 -14.142
165 HD1 PHE 24 HD2 PHE 24 7.872 -2.599 -16.133
166 HD2 PHE 24 HD1 PHE 24 11.656 -1.465 -14.548
167 HE1 PHE 24 HE2 PHE 24 8.868 -4.652 -17.052
168 HE2 PHE 24 HE1 PHE 24 12.658 -3.516 -15.465
169 HZ PHE 24 HZ PHE 24 11.264 -5.114 -16.717
170 HA PRO 25 HA PRO 25 7.547 4.343 -15.048
171 HB2 PRO 25 1HB PRO 25 5.129 4.739 -16.217
172 HB3 PRO 25 2HB PRO 25 6.656 4.892 -17.094
173 HG2 PRO 25 1HG PRO 25 4.736 2.597 -17.020
174 HG3 PRO 25 2HG PRO 25 5.593 3.294 -18.407
175 HD2 PRO 25 1HD PRO 25 6.416 1.028 -17.176
176 HD3 PRO 25 2HD PRO 25 7.548 2.173 -17.923
177 H ALA 26 H ALA 26 5.523 5.427 -14.019
178 HA ALA 26 HA ALA 26 4.898 4.158 -11.652
179 HB1 ALA 26 1HB ALA 26 4.322 6.615 -12.822
180 HB2 ALA 26 2HB ALA 26 2.748 5.910 -12.451
181 HB3 ALA 26 3HB ALA 26 3.948 6.109 -11.174
182 H GLY 27 H GLY 27 3.472 2.655 -11.015
183 HA2 GLY 27 1HA GLY 27 1.212 1.737 -11.160
184 HA3 GLY 27 2HA GLY 27 1.331 1.902 -12.905
185 H THR 28 H THR 28 4.020 0.879 -13.099
186 HA THR 28 HA THR 28 3.544 -1.798 -13.567
187 HB THR 28 HB THR 28 6.199 -0.529 -12.871
188 HG1 THR 28 HG1 THR 28 5.128 -1.088 -15.445
189 HG21 THR 28 3HG2 THR 28 7.091 -2.559 -13.075
190 HG22 THR 28 1HG2 THR 28 6.457 -2.661 -14.717
191 HG23 THR 28 2HG2 THR 28 5.495 -3.251 -13.362
192 H ARG 29 H ARG 29 3.300 -3.530 -12.318
193 HA ARG 29 HA ARG 29 3.746 -3.292 -9.457
194 HB2 ARG 29 1HB ARG 29 2.666 -5.698 -10.917
195 HB3 ARG 29 2HB ARG 29 2.442 -5.265 -9.228
196 HG2 ARG 29 1HG ARG 29 1.319 -3.751 -11.576
197 HG3 ARG 29 2HG ARG 29 0.426 -4.887 -10.562
198 HD2 ARG 29 1HD ARG 29 0.880 -3.460 -8.608
199 HD3 ARG 29 2HD ARG 29 1.714 -2.314 -9.657
200 HE ARG 29 HE ARG 29 -0.319 -1.489 -10.272
201 HH11 ARG 29 1HH1 ARG 29 -0.767 -4.689 -8.975
202 HH12 ARG 29 2HH1 ARG 29 -2.496 -4.618 -9.048
203 HH21 ARG 29 1HH2 ARG 29 -2.596 -1.383 -10.373
204 HH22 ARG 29 2HH2 ARG 29 -3.536 -2.737 -9.843
205 H TRP 30 H TRP 30 5.273 -4.347 -8.304
206 HA TRP 30 HA TRP 30 7.641 -5.177 -9.486
207 HB2 TRP 30 1HB TRP 30 8.087 -6.280 -7.229
208 HB3 TRP 30 2HB TRP 30 7.720 -4.557 -7.205
209 HD1 TRP 30 HD1 TRP 30 5.528 -3.790 -5.963
210 HE1 TRP 30 HE1 TRP 30 3.846 -5.008 -4.441
211 HE3 TRP 30 HE3 TRP 30 6.940 -8.615 -6.891
212 HZ2 TRP 30 HZ2 TRP 30 3.204 -7.663 -3.728
213 HZ3 TRP 30 HZ3 TRP 30 5.742 -10.435 -5.749
214 HH2 TRP 30 HH2 TRP 30 3.913 -9.967 -4.200
215 H ASP 31 H ASP 31 4.723 -6.951 -8.869
216 HA ASP 31 HA ASP 31 5.876 -9.557 -9.131
217 HB2 ASP 31 1HB ASP 31 3.708 -9.013 -7.941
218 HB3 ASP 31 2HB ASP 31 2.977 -8.809 -9.531
219 H GLN 32 H GLN 32 4.561 -7.183 -11.315
220 HA GLN 32 HA GLN 32 4.073 -8.849 -13.530
221 HB2 GLN 32 1HB GLN 32 4.778 -5.918 -13.369
222 HB3 GLN 32 2HB GLN 32 4.307 -6.726 -14.858
223 HG2 GLN 32 1HG GLN 32 2.503 -6.977 -12.519
224 HG3 GLN 32 2HG GLN 32 2.573 -5.423 -13.349
225 HE21 GLN 32 2HE2 GLN 32 1.344 -8.581 -13.383
226 HE22 GLN 32 1HE2 GLN 32 0.560 -8.519 -14.921
227 H ILE 33 H ILE 33 6.989 -7.652 -12.146
228 HA ILE 33 HA ILE 33 8.736 -7.553 -14.276
229 HB ILE 33 HB ILE 33 9.338 -8.684 -11.541
230 HG12 ILE 33 1HG1 ILE 33 8.340 -6.443 -11.425
231 HG13 ILE 33 2HG1 ILE 33 10.041 -6.401 -10.974
232 HG21 ILE 33 1HG2 ILE 33 11.638 -8.091 -11.988
233 HG22 ILE 33 2HG2 ILE 33 11.048 -9.169 -13.251
234 HG23 ILE 33 3HG2 ILE 33 11.194 -7.440 -13.565
235 HD11 ILE 33 3HD1 ILE 33 10.617 -5.536 -13.165
236 HD12 ILE 33 1HD1 ILE 33 8.926 -5.622 -13.657
237 HD13 ILE 33 2HD1 ILE 33 9.417 -4.510 -12.379
238 HA PRO 34 HA PRO 34 8.743 -11.677 -15.875
239 HB2 PRO 34 1HB PRO 34 10.945 -11.437 -17.445
240 HB3 PRO 34 2HB PRO 34 9.382 -10.728 -17.868
241 HG2 PRO 34 1HG PRO 34 11.778 -9.428 -16.631
242 HG3 PRO 34 2HG PRO 34 10.716 -8.824 -17.917
243 HD2 PRO 34 1HD PRO 34 10.496 -8.011 -15.343
244 HD3 PRO 34 2HD PRO 34 9.096 -8.136 -16.428
245 H ASP 35 H ASP 35 9.378 -13.404 -14.761
246 HA ASP 35 HA ASP 35 11.616 -13.393 -13.010
247 HB2 ASP 35 1HB ASP 35 11.035 -15.671 -12.513
248 HB3 ASP 35 2HB ASP 35 9.538 -14.760 -12.688
249 H ASP 36 H ASP 36 11.277 -14.005 -16.341
250 HA ASP 36 HA ASP 36 13.720 -15.605 -16.476
251 HB2 ASP 36 1HB ASP 36 11.526 -14.955 -18.410
252 HB3 ASP 36 2HB ASP 36 13.095 -15.474 -19.021
253 H TRP 37 H TRP 37 13.757 -12.789 -15.671
254 HA TRP 37 HA TRP 37 14.959 -11.409 -17.932
255 HB2 TRP 37 1HB TRP 37 13.421 -10.405 -16.047
256 HB3 TRP 37 2HB TRP 37 14.935 -10.294 -15.154
257 HD1 TRP 37 HD1 TRP 37 16.282 -8.148 -15.533
258 HE1 TRP 37 HE1 TRP 37 16.276 -6.257 -17.278
259 HE3 TRP 37 HE3 TRP 37 12.848 -10.067 -18.798
260 HZ2 TRP 37 HZ2 TRP 37 14.987 -5.657 -19.717
261 HZ3 TRP 37 HZ3 TRP 37 12.284 -8.772 -20.812
262 HH2 TRP 37 HH2 TRP 37 13.332 -6.612 -21.260
263 H CYS 38 H CYS 38 17.093 -10.531 -17.873
264 HA CYS 38 HA CYS 38 18.921 -12.010 -16.096
265 HB2 CYS 38 1HB CYS 38 20.593 -11.820 -17.971
266 HB3 CYS 38 2HB CYS 38 19.218 -12.865 -18.310
267 HG CYS 38 HG CYS 38 19.429 -11.706 -20.686
268 H CYS 39 H CYS 39 20.084 -10.786 -14.777
269 HA CYS 39 HA CYS 39 20.539 -7.970 -15.514
270 HB2 CYS 39 1HB CYS 39 19.482 -9.181 -13.067
271 HB3 CYS 39 2HB CYS 39 20.801 -8.056 -12.769
272 HG CYS 39 HG CYS 39 19.290 -6.188 -14.616
273 HA PRO 40 HA PRO 40 24.864 -8.514 -15.041
274 HB2 PRO 40 1HB PRO 40 25.624 -6.217 -13.812
275 HB3 PRO 40 2HB PRO 40 25.105 -6.276 -15.500
276 HG2 PRO 40 1HG PRO 40 23.553 -5.476 -13.069
277 HG3 PRO 40 2HG PRO 40 23.599 -4.712 -14.668
278 HD2 PRO 40 1HD PRO 40 21.583 -6.343 -13.891
279 HD3 PRO 40 2HD PRO 40 22.127 -6.235 -15.578
280 H ASP 41 H ASP 41 23.483 -7.117 -12.060
281 HA ASP 41 HA ASP 41 25.472 -8.431 -10.427
282 HB2 ASP 41 1HB ASP 41 23.555 -6.287 -10.099
283 HB3 ASP 41 2HB ASP 41 23.463 -7.422 -8.755
284 H CYS 42 H CYS 42 21.937 -8.612 -10.799
285 HA CYS 42 HA CYS 42 21.460 -10.665 -8.984
286 HB2 CYS 42 1HB CYS 42 19.776 -9.204 -10.259
287 HB3 CYS 42 2HB CYS 42 19.936 -10.372 -11.566
288 HG CYS 42 HG CYS 42 17.732 -10.509 -9.389
289 H SER 43 H SER 43 22.915 -10.758 -12.103
290 HA SER 43 HA SER 43 22.404 -13.312 -12.996
291 HB2 SER 43 1HB SER 43 23.698 -12.239 -14.535
292 HB3 SER 43 2HB SER 43 24.640 -11.394 -13.307
293 HG SER 43 HG SER 43 25.211 -13.679 -14.631
294 H VAL 44 H VAL 44 24.440 -12.283 -10.358
295 HA VAL 44 HA VAL 44 25.261 -15.076 -9.905
296 HB VAL 44 HB VAL 44 27.132 -13.500 -10.160
297 HG11 VAL 44 1HG1 VAL 44 25.506 -11.884 -8.430
298 HG12 VAL 44 2HG1 VAL 44 27.111 -12.104 -7.729
299 HG13 VAL 44 3HG1 VAL 44 26.941 -11.438 -9.354
300 HG21 VAL 44 3HG2 VAL 44 27.160 -15.508 -8.590
301 HG22 VAL 44 1HG2 VAL 44 28.398 -14.277 -8.338
302 HG23 VAL 44 2HG2 VAL 44 26.990 -14.343 -7.278
303 H ARG 45 H ARG 45 23.344 -12.514 -8.720
304 HA ARG 45 HA ARG 45 23.123 -13.768 -6.073
305 HB2 ARG 45 1HB ARG 45 23.026 -11.030 -7.018
306 HB3 ARG 45 2HB ARG 45 21.590 -11.430 -6.085
307 HG2 ARG 45 1HG ARG 45 23.079 -10.593 -4.508
308 HG3 ARG 45 2HG ARG 45 23.213 -12.344 -4.331
309 HD2 ARG 45 1HD ARG 45 25.072 -11.573 -6.306
310 HD3 ARG 45 2HD ARG 45 25.241 -10.431 -4.973
311 HE ARG 45 HE ARG 45 25.140 -13.079 -3.989
312 HH11 ARG 45 1HH1 ARG 45 27.236 -10.862 -5.667
313 HH12 ARG 45 2HH1 ARG 45 28.694 -11.606 -5.099
314 HH21 ARG 45 1HH2 ARG 45 27.053 -14.067 -3.235
315 HH22 ARG 45 2HH2 ARG 45 28.588 -13.430 -3.717
316 H GLU 46 H GLU 46 21.465 -15.077 -5.725
317 HA GLU 46 HA GLU 46 19.468 -15.688 -7.529
318 HB2 GLU 46 1HB GLU 46 20.231 -16.716 -5.157
319 HB3 GLU 46 2HB GLU 46 18.744 -15.917 -4.665
320 HG2 GLU 46 1HG GLU 46 18.178 -18.142 -5.197
321 HG3 GLU 46 2HG GLU 46 17.586 -17.141 -6.521
322 H LYS 47 H LYS 47 17.390 -15.028 -7.894
323 HA LYS 47 HA LYS 47 16.733 -12.343 -7.447
324 HB2 LYS 47 1HB LYS 47 15.837 -13.968 -9.229
325 HB3 LYS 47 2HB LYS 47 14.688 -14.482 -8.000
326 HG2 LYS 47 1HG LYS 47 13.503 -12.549 -8.098
327 HG3 LYS 47 2HG LYS 47 14.912 -11.575 -8.522
328 HD2 LYS 47 1HD LYS 47 14.772 -12.120 -10.771
329 HD3 LYS 47 2HD LYS 47 13.843 -13.588 -10.460
330 HE2 LYS 47 1HE LYS 47 12.755 -10.838 -9.914
331 HE3 LYS 47 2HE LYS 47 12.589 -11.626 -11.483
332 HZ1 LYS 47 3HZ LYS 47 10.636 -12.006 -10.147
333 HZ2 LYS 47 1HZ LYS 47 11.567 -12.654 -8.891
334 HZ3 LYS 47 2HZ LYS 47 11.456 -13.469 -10.368
335 H VAL 48 H VAL 48 16.325 -15.120 -5.466
336 HA VAL 48 HA VAL 48 14.131 -14.236 -3.901
337 HB VAL 48 HB VAL 48 14.938 -16.593 -3.978
338 HG11 VAL 48 1HG1 VAL 48 17.388 -15.407 -3.254
339 HG12 VAL 48 2HG1 VAL 48 16.890 -16.418 -1.897
340 HG13 VAL 48 3HG1 VAL 48 17.043 -17.117 -3.510
341 HG21 VAL 48 3HG2 VAL 48 14.994 -15.634 -1.138
342 HG22 VAL 48 1HG2 VAL 48 13.528 -15.519 -2.112
343 HG23 VAL 48 2HG2 VAL 48 14.261 -17.093 -1.803
344 H ASP 49 H ASP 49 17.311 -13.141 -4.121
345 HA ASP 49 HA ASP 49 17.881 -12.436 -1.460
346 HB2 ASP 49 1HB ASP 49 19.431 -12.414 -3.520
347 HB3 ASP 49 2HB ASP 49 18.771 -10.811 -3.833
348 H PHE 50 H PHE 50 15.792 -11.027 -3.835
349 HA PHE 50 HA PHE 50 15.612 -8.407 -2.868
350 HB2 PHE 50 1HB PHE 50 13.858 -10.181 -4.500
351 HB3 PHE 50 2HB PHE 50 13.151 -8.712 -3.835
352 HD1 PHE 50 HD2 PHE 50 14.456 -6.515 -4.276
353 HD2 PHE 50 HD1 PHE 50 14.992 -10.101 -6.506
354 HE1 PHE 50 HE2 PHE 50 15.416 -5.214 -6.131
355 HE2 PHE 50 HE1 PHE 50 15.953 -8.806 -8.364
356 HZ PHE 50 HZ PHE 50 16.165 -6.359 -8.179
357 H GLU 51 H GLU 51 14.869 -7.622 -1.018
358 HA GLU 51 HA GLU 51 13.077 -9.306 0.600
359 HB2 GLU 51 1HB GLU 51 14.852 -7.060 1.563
360 HB3 GLU 51 2HB GLU 51 13.942 -8.187 2.558
361 HG2 GLU 51 1HG GLU 51 15.383 -9.976 1.295
362 HG3 GLU 51 2HG GLU 51 16.461 -8.606 1.035
363 H ARG 52 H ARG 52 11.156 -8.526 1.301
364 HA ARG 52 HA ARG 52 10.248 -6.026 0.123
365 HB2 ARG 52 1HB ARG 52 8.034 -6.757 0.615
366 HB3 ARG 52 2HB ARG 52 8.908 -8.155 0.001
367 HG2 ARG 52 1HG ARG 52 9.242 -8.935 2.309
368 HG3 ARG 52 2HG ARG 52 8.305 -7.557 2.890
369 HD2 ARG 52 1HD ARG 52 6.352 -8.340 1.691
370 HD3 ARG 52 2HD ARG 52 7.281 -9.668 0.996
371 HE ARG 52 HE ARG 52 7.291 -9.669 3.862
372 HH11 ARG 52 1HH1 ARG 52 5.512 -10.623 1.026
373 HH12 ARG 52 2HH1 ARG 52 4.673 -11.911 1.826
374 HH21 ARG 52 1HH2 ARG 52 6.194 -11.361 4.926
375 HH22 ARG 52 2HH2 ARG 52 5.062 -12.330 4.045
376 H MET 53 H MET 53 9.545 -4.253 1.252
377 HA MET 53 HA MET 53 9.964 -4.306 4.169
378 HB2 MET 53 1HB MET 53 10.586 -2.054 2.250
379 HB3 MET 53 2HB MET 53 10.708 -1.949 4.001
380 HG2 MET 53 1HG MET 53 12.210 -4.093 2.596
381 HG3 MET 53 2HG MET 53 12.807 -2.437 2.507
382 HE1 MET 53 3HE MET 53 12.622 -0.995 5.119
383 HE2 MET 53 1HE MET 53 14.047 -1.602 5.962
384 HE3 MET 53 2HE MET 53 14.115 -1.291 4.227
385 H GLY 54 H GLY 54 8.894 -2.245 5.177
386 HA2 GLY 54 1HA GLY 54 6.543 -1.248 3.886
387 HA3 GLY 54 2HA GLY 54 6.161 -2.497 5.061
388 H GLY 55 H GLY 55 6.982 -2.154 7.288
389 HA2 GLY 55 1HA GLY 55 8.079 -0.209 8.610
390 HA3 GLY 55 2HA GLY 55 6.709 0.690 7.975
391 H LYS 56 H LYS 56 7.807 -0.853 10.629
392 HA LYS 56 HA LYS 56 5.100 -1.150 11.688
393 HB2 LYS 56 1HB LYS 56 7.230 -3.288 11.868
394 HB3 LYS 56 2HB LYS 56 5.739 -3.290 12.802
395 HG2 LYS 56 1HG LYS 56 4.449 -3.376 10.714
396 HG3 LYS 56 2HG LYS 56 5.959 -3.427 9.801
397 HD2 LYS 56 1HD LYS 56 5.404 -5.667 9.936
398 HD3 LYS 56 2HD LYS 56 6.491 -5.478 11.314
399 HE2 LYS 56 1HE LYS 56 4.570 -5.241 12.801
400 HE3 LYS 56 2HE LYS 56 3.477 -5.398 11.427
401 HZ1 LYS 56 3HZ LYS 56 4.006 -7.626 11.160
402 HZ2 LYS 56 1HZ LYS 56 3.944 -7.456 12.842
403 HZ3 LYS 56 2HZ LYS 56 5.439 -7.512 12.053