Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
278999 | 2kkd RC | 16849 | 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 -1.612 -10.680 7.007
2 HA MET 1 HA MET 1 -1.145 -11.143 4.763
3 HB2 MET 1 1HB MET 1 -2.507 -12.835 6.266
4 HB3 MET 1 2HB MET 1 -3.880 -12.413 5.262
5 HG2 MET 1 1HG MET 1 -3.168 -13.875 3.679
6 HG3 MET 1 2HG MET 1 -1.701 -12.939 3.473
7 HE1 MET 1 3HE MET 1 -1.181 -15.126 2.622
8 HE2 MET 1 1HE MET 1 0.234 -15.747 3.505
9 HE3 MET 1 2HE MET 1 -1.295 -16.659 3.521
10 H LYS 2 H LYS 2 -2.165 -8.552 4.491
11 HA LYS 2 HA LYS 2 -4.027 -8.915 2.249
12 HB2 LYS 2 1HB LYS 2 -4.040 -6.837 4.439
13 HB3 LYS 2 2HB LYS 2 -4.797 -6.536 2.888
14 HG2 LYS 2 1HG LYS 2 -6.609 -7.749 3.502
15 HG3 LYS 2 2HG LYS 2 -5.608 -9.164 3.755
16 HD2 LYS 2 1HD LYS 2 -5.189 -8.590 6.060
17 HD3 LYS 2 2HD LYS 2 -5.792 -6.959 5.845
18 HE2 LYS 2 1HE LYS 2 -8.079 -7.739 5.591
19 HE3 LYS 2 2HE LYS 2 -7.565 -9.408 5.446
20 HZ1 LYS 2 2HZ LYS 2 -6.653 -9.144 7.781
21 HZ3 LYS 2 1HZ LYS 2 -8.278 -9.109 7.678
22 H LYS 3 H LYS 3 -0.925 -8.689 2.763
23 HA LYS 3 HA LYS 3 0.135 -6.372 1.932
24 HB2 LYS 3 1HB LYS 3 0.886 -9.204 1.170
25 HB3 LYS 3 2HB LYS 3 1.877 -7.816 0.766
26 HG2 LYS 3 1HG LYS 3 1.876 -7.190 3.241
27 HG3 LYS 3 2HG LYS 3 1.056 -8.703 3.570
28 HD2 LYS 3 1HD LYS 3 2.967 -9.941 2.479
29 HD3 LYS 3 2HD LYS 3 3.794 -8.414 2.244
30 HE2 LYS 3 1HE LYS 3 4.171 -8.099 4.558
31 HE3 LYS 3 2HE LYS 3 2.845 -9.145 5.024
32 HZ1 LYS 3 2HZ LYS 3 5.514 -9.939 4.055
33 HZ3 LYS 3 1HZ LYS 3 4.269 -10.979 3.908
34 H TYR 4 H TYR 4 -0.613 -4.974 0.426
35 HA TYR 4 HA TYR 4 -1.784 -6.064 -2.006
36 HB2 TYR 4 1HB TYR 4 -1.387 -3.122 -1.346
37 HB3 TYR 4 2HB TYR 4 -2.776 -3.881 -2.099
38 HD1 TYR 4 1HD TYR 4 -1.143 -3.078 1.098
39 HD2 TYR 4 2HD TYR 4 -4.552 -4.884 -0.751
40 HE1 TYR 4 1HE TYR 4 -2.366 -3.067 3.326
41 HE2 TYR 4 2HE TYR 4 -5.764 -4.867 1.484
42 HH TYR 4 HH TYR 4 -5.740 -3.824 3.533
43 H VAL 5 H VAL 5 -1.273 -3.972 -3.800
44 HA VAL 5 HA VAL 5 1.562 -3.536 -3.923
45 HB VAL 5 HB VAL 5 0.162 -5.487 -5.744
46 HG11 VAL 5 1HG1 VAL 5 2.869 -4.210 -6.251
47 HG12 VAL 5 2HG1 VAL 5 2.030 -5.404 -7.270
48 HG13 VAL 5 3HG1 VAL 5 1.367 -3.762 -7.095
49 HG21 VAL 5 3HG2 VAL 5 1.156 -6.572 -3.876
50 HG22 VAL 5 1HG2 VAL 5 2.271 -6.815 -5.242
51 HG23 VAL 5 2HG2 VAL 5 2.638 -5.594 -4.001
52 H CYS 6 H CYS 6 2.121 -2.037 -5.685
53 HA CYS 6 HA CYS 6 -0.096 -0.275 -6.175
54 HB2 CYS 6 1HB CYS 6 1.855 0.824 -5.488
55 HB3 CYS 6 2HB CYS 6 2.878 -0.095 -6.574
56 H THR 7 H THR 7 -0.849 0.309 -8.309
57 HA THR 7 HA THR 7 -0.172 -1.704 -10.344
58 HB THR 7 HB THR 7 -2.442 -1.163 -11.225
59 HG1 THR 7 1HG THR 7 -2.189 1.122 -10.350
60 HG21 THR 7 3HG2 THR 7 -2.221 -2.784 -9.220
61 HG22 THR 7 1HG2 THR 7 -2.655 -1.402 -8.186
62 HG23 THR 7 2HG2 THR 7 -3.807 -1.998 -9.405
63 H VAL 8 H VAL 8 1.728 0.300 -9.957
64 HA VAL 8 HA VAL 8 1.526 1.589 -12.543
65 HB VAL 8 HB VAL 8 2.012 3.157 -10.003
66 HG11 VAL 8 1HG1 VAL 8 2.664 3.666 -12.769
67 HG12 VAL 8 2HG1 VAL 8 1.477 4.860 -12.192
68 HG13 VAL 8 3HG1 VAL 8 3.017 4.646 -11.326
69 HG21 VAL 8 3HG2 VAL 8 -0.307 2.742 -10.028
70 HG22 VAL 8 1HG2 VAL 8 -0.129 4.349 -10.774
71 HG23 VAL 8 2HG2 VAL 8 -0.410 2.919 -11.796
72 H CYS 9 H CYS 9 3.381 1.025 -9.493
73 HA CYS 9 HA CYS 9 5.751 0.743 -11.195
74 HB2 CYS 9 1HB CYS 9 7.125 1.707 -9.571
75 HB3 CYS 9 2HB CYS 9 5.741 2.774 -9.700
76 H GLY 10 H GLY 10 4.136 -0.145 -8.061
77 HA2 GLY 10 1HA GLY 10 3.705 -2.444 -7.583
78 HA3 GLY 10 2HA GLY 10 5.188 -2.882 -8.408
79 H TYR 11 H TYR 11 3.814 -1.328 -5.485
80 HA TYR 11 HA TYR 11 6.374 -1.872 -4.142
81 HB2 TYR 11 1HB TYR 11 6.194 0.540 -4.368
82 HB3 TYR 11 2HB TYR 11 4.451 0.505 -4.190
83 HD1 TYR 11 2HD TYR 11 7.422 -0.563 -2.143
84 HD2 TYR 11 1HD TYR 11 3.651 1.456 -2.241
85 HE1 TYR 11 2HE TYR 11 7.656 0.009 0.323
86 HE2 TYR 11 1HE TYR 11 3.898 2.021 0.225
87 HH TYR 11 HH TYR 11 5.011 1.456 2.096
88 H GLU 12 H GLU 12 5.520 -3.922 -3.416
89 HA GLU 12 HA GLU 12 3.092 -4.321 -2.295
90 HB2 GLU 12 1HB GLU 12 4.098 -6.262 -1.168
91 HB3 GLU 12 2HB GLU 12 4.734 -6.108 -2.793
92 HG2 GLU 12 1HG GLU 12 6.695 -4.773 -1.735
93 HG3 GLU 12 2HG GLU 12 6.106 -5.338 -0.184
94 HE2 GLU 12 HE GLU 12 8.468 -7.346 -0.558
95 H TYR 13 H TYR 13 2.054 -3.343 -0.618
96 HA TYR 13 HA TYR 13 3.636 -1.908 1.339
97 HB2 TYR 13 1HB TYR 13 1.619 -0.878 0.336
98 HB3 TYR 13 2HB TYR 13 0.670 -2.319 0.641
99 HD1 TYR 13 1HD TYR 13 2.132 0.704 2.150
100 HD2 TYR 13 2HD TYR 13 -0.259 -2.774 2.851
101 HE1 TYR 13 1HE TYR 13 1.335 1.687 4.355
102 HE2 TYR 13 2HE TYR 13 -1.048 -1.779 5.053
103 HH TYR 13 HH TYR 13 -0.553 -0.214 6.598
104 H ASP 14 H ASP 14 3.410 -2.199 3.647
105 HA ASP 14 HA ASP 14 2.539 -4.908 4.286
106 HB2 ASP 14 1HB ASP 14 5.044 -3.612 4.704
107 HB3 ASP 14 2HB ASP 14 4.294 -3.696 6.285
108 HD2 ASP 14 HD ASP 14 5.386 -6.022 3.706
109 HA PRO 15 HA PRO 15 -0.202 -2.393 6.752
110 HB2 PRO 15 1HB PRO 15 -2.086 -4.317 7.219
111 HB3 PRO 15 2HB PRO 15 -2.107 -3.278 5.808
112 HG2 PRO 15 1HG PRO 15 -1.335 -6.125 6.001
113 HG3 PRO 15 2HG PRO 15 -1.769 -5.200 4.578
114 HD2 PRO 15 1HD PRO 15 0.874 -5.969 5.386
115 HD3 PRO 15 2HD PRO 15 0.449 -4.947 4.027
116 H ALA 16 H ALA 16 1.111 -5.494 7.581
117 HA ALA 16 HA ALA 16 0.488 -5.196 10.354
118 HB1 ALA 16 1HB ALA 16 0.647 -7.420 9.638
119 HB2 ALA 16 2HB ALA 16 2.091 -7.103 8.647
120 HB3 ALA 16 3HB ALA 16 2.224 -7.158 10.421
121 H GLU 17 H GLU 17 2.639 -3.630 8.269
122 HA GLU 17 HA GLU 17 4.556 -3.267 10.434
123 HB2 GLU 17 1HB GLU 17 5.212 -4.109 8.009
124 HB3 GLU 17 2HB GLU 17 5.078 -2.415 7.580
125 HG2 GLU 17 1HG GLU 17 7.333 -2.539 8.196
126 HG3 GLU 17 2HG GLU 17 6.607 -2.014 9.702
127 HE2 GLU 17 HE GLU 17 9.028 -4.160 9.269
128 H GLY 18 H GLY 18 2.936 -1.480 7.708
129 HA2 GLY 18 1HA GLY 18 1.605 0.461 8.404
130 HA3 GLY 18 2HA GLY 18 2.940 0.917 9.445
131 H ASP 19 H ASP 19 3.751 2.793 8.565
132 HA ASP 19 HA ASP 19 5.220 2.602 6.209
133 HB2 ASP 19 1HB ASP 19 2.641 2.930 5.524
134 HB3 ASP 19 2HB ASP 19 2.982 4.607 5.901
135 HD2 ASP 19 HD ASP 19 3.799 5.359 3.058
136 HA PRO 20 HA PRO 20 6.554 5.941 8.846
137 HB2 PRO 20 1HB PRO 20 9.182 5.928 8.096
138 HB3 PRO 20 2HB PRO 20 8.547 4.916 9.379
139 HG2 PRO 20 1HG PRO 20 9.325 4.154 6.630
140 HG3 PRO 20 2HG PRO 20 9.099 3.127 8.032
141 HD2 PRO 20 1HD PRO 20 7.286 3.451 5.833
142 HD3 PRO 20 2HD PRO 20 7.012 2.515 7.289
143 H ASP 21 H ASP 21 7.238 5.669 5.433
144 HA ASP 21 HA ASP 21 8.167 8.022 4.778
145 HB2 ASP 21 1HB ASP 21 7.051 6.077 3.350
146 HB3 ASP 21 2HB ASP 21 5.640 7.117 3.369
147 HD2 ASP 21 HD ASP 21 8.927 8.287 1.401
148 H ASN 22 H ASN 22 4.683 7.316 5.547
149 HA ASN 22 HA ASN 22 4.183 10.170 5.567
150 HB2 ASN 22 1HB ASN 22 2.428 7.689 5.449
151 HB3 ASN 22 2HB ASN 22 1.729 9.209 5.971
152 HD21 ASN 22 1HD2 ASN 22 3.826 7.861 3.432
153 HD22 ASN 22 2HD2 ASN 22 3.191 8.779 2.108
154 H GLY 23 H GLY 23 3.889 7.132 7.524
155 HA2 GLY 23 1HA GLY 23 4.630 7.402 9.867
156 HA3 GLY 23 2HA GLY 23 3.575 8.799 9.950
157 H VAL 24 H VAL 24 3.674 5.233 9.542
158 HA VAL 24 HA VAL 24 0.967 5.158 10.655
159 HB VAL 24 HB VAL 24 1.996 3.590 8.283
160 HG11 VAL 24 1HG1 VAL 24 -0.708 3.388 9.650
161 HG12 VAL 24 2HG1 VAL 24 -0.147 2.458 8.240
162 HG13 VAL 24 3HG1 VAL 24 0.616 2.212 9.829
163 HG21 VAL 24 3HG2 VAL 24 1.244 5.976 7.896
164 HG22 VAL 24 1HG2 VAL 24 0.359 4.734 6.977
165 HG23 VAL 24 2HG2 VAL 24 -0.379 5.468 8.421
166 H LYS 25 H LYS 25 0.539 3.294 11.974
167 HA LYS 25 HA LYS 25 3.003 2.151 13.017
168 HB2 LYS 25 1HB LYS 25 1.815 1.717 14.995
169 HB3 LYS 25 2HB LYS 25 1.257 3.293 14.472
170 HG2 LYS 25 1HG LYS 25 -0.312 1.012 13.371
171 HG3 LYS 25 2HG LYS 25 -0.398 1.172 15.114
172 HD2 LYS 25 1HD LYS 25 -0.641 3.811 13.947
173 HD3 LYS 25 2HD LYS 25 -1.755 2.739 13.121
174 HE2 LYS 25 1HE LYS 25 -2.634 1.977 15.364
175 HE3 LYS 25 2HE LYS 25 -1.567 3.126 16.148
176 HZ1 LYS 25 2HZ LYS 25 -3.519 4.001 14.099
177 HZ3 LYS 25 1HZ LYS 25 -2.747 4.928 15.193
178 HA PRO 26 HA PRO 26 2.229 -1.776 11.404
179 HB2 PRO 26 1HB PRO 26 3.087 -3.478 13.362
180 HB3 PRO 26 2HB PRO 26 4.177 -2.642 12.275
181 HG2 PRO 26 1HG PRO 26 3.602 -2.076 15.119
182 HG3 PRO 26 2HG PRO 26 4.963 -1.550 14.148
183 HD2 PRO 26 1HD PRO 26 2.692 0.025 14.918
184 HD3 PRO 26 2HD PRO 26 3.995 0.515 13.853
185 H GLY 27 H GLY 27 0.744 -3.413 11.064
186 HA2 GLY 27 1HA GLY 27 -0.987 -4.785 11.730
187 HA3 GLY 27 2HA GLY 27 -1.092 -3.946 13.265
188 H THR 28 H THR 28 -0.798 -1.766 10.594
189 HA THR 28 HA THR 28 -3.612 -1.060 10.894
190 HB THR 28 HB THR 28 -1.297 0.367 9.485
191 HG1 THR 28 1HG THR 28 -1.064 1.334 11.561
192 HG21 THR 28 3HG2 THR 28 -3.242 1.524 8.787
193 HG22 THR 28 1HG2 THR 28 -4.134 1.106 10.270
194 HG23 THR 28 2HG2 THR 28 -2.864 2.352 10.317
195 H SER 29 H SER 29 -4.820 -0.359 8.893
196 HA SER 29 HA SER 29 -4.212 -2.303 6.806
197 HB2 SER 29 1HB SER 29 -6.480 -2.723 6.539
198 HB3 SER 29 2HB SER 29 -6.433 -2.370 8.254
199 HG SER 29 HG SER 29 -7.799 -1.068 6.290
200 H PHE 30 H PHE 30 -4.158 -1.593 4.631
201 HA PHE 30 HA PHE 30 -3.326 0.904 4.058
202 HB2 PHE 30 1HB PHE 30 -3.479 -1.230 2.605
203 HB3 PHE 30 2HB PHE 30 -5.175 -0.868 2.351
204 HD1 PHE 30 1HD PHE 30 -5.819 1.173 1.070
205 HD2 PHE 30 2HD PHE 30 -1.783 -0.102 1.371
206 HE1 PHE 30 1HE PHE 30 -5.219 2.606 -0.902
207 HE2 PHE 30 2HE PHE 30 -1.183 1.331 -0.600
208 HZ PHE 30 HZ PHE 30 -2.908 2.668 -1.713
209 H ASP 31 H ASP 31 -6.751 -0.285 3.772
210 HA ASP 31 HA ASP 31 -7.880 1.952 2.811
211 HB2 ASP 31 1HB ASP 31 -8.727 -0.393 4.321
212 HB3 ASP 31 2HB ASP 31 -9.644 1.002 4.854
213 HD2 ASP 31 HD ASP 31 -11.227 -0.419 3.935
214 H ASP 32 H ASP 32 -6.651 1.257 6.086
215 HA ASP 32 HA ASP 32 -7.996 3.319 7.397
216 HB2 ASP 32 1HB ASP 32 -6.456 1.218 8.186
217 HB3 ASP 32 2HB ASP 32 -5.253 2.487 8.303
218 HD2 ASP 32 HD ASP 32 -6.536 1.162 10.774
219 H LEU 33 H LEU 33 -4.980 3.041 5.498
220 HA LEU 33 HA LEU 33 -3.568 5.223 6.300
221 HB2 LEU 33 1HB LEU 33 -3.952 4.168 3.495
222 HB3 LEU 33 2HB LEU 33 -2.685 5.272 3.992
223 HG LEU 33 HG LEU 33 -3.042 2.499 5.156
224 HD11 LEU 33 1HD1 LEU 33 -1.155 1.822 3.717
225 HD12 LEU 33 2HD1 LEU 33 -2.601 2.278 2.784
226 HD13 LEU 33 3HD1 LEU 33 -1.228 3.404 2.904
227 HD21 LEU 33 3HD2 LEU 33 -1.031 4.689 5.513
228 HD22 LEU 33 1HD2 LEU 33 -1.778 3.611 6.717
229 HD23 LEU 33 2HD2 LEU 33 -0.507 2.992 5.635
230 HA PRO 34 HA PRO 34 -5.844 8.711 5.178
231 HB2 PRO 34 1HB PRO 34 -3.899 10.557 4.651
232 HB3 PRO 34 2HB PRO 34 -4.393 10.123 6.275
233 HG2 PRO 34 1HG PRO 34 -1.941 9.351 4.816
234 HG3 PRO 34 2HG PRO 34 -2.258 9.294 6.539
235 HD2 PRO 34 1HD PRO 34 -2.249 7.075 4.721
236 HD3 PRO 34 2HD PRO 34 -2.679 7.037 6.419
237 H ALA 35 H ALA 35 -6.396 10.389 3.521
238 HA ALA 35 HA ALA 35 -6.408 9.037 1.012
239 HB1 ALA 35 1HB ALA 35 -7.753 10.955 0.300
240 HB2 ALA 35 2HB ALA 35 -8.300 10.393 1.898
241 HB3 ALA 35 3HB ALA 35 -7.290 11.852 1.767
242 H ASP 36 H ASP 36 -4.497 11.592 2.582
243 HA ASP 36 HA ASP 36 -3.384 12.521 0.161
244 HB2 ASP 36 1HB ASP 36 -3.388 13.281 2.899
245 HB3 ASP 36 2HB ASP 36 -1.708 12.945 2.530
246 HD2 ASP 36 HD ASP 36 -1.798 13.802 -0.091
247 H TRP 37 H TRP 37 -3.173 9.565 1.622
248 HA TRP 37 HA TRP 37 -0.305 9.228 1.547
249 HB2 TRP 37 1HB TRP 37 -1.688 8.161 3.281
250 HB3 TRP 37 2HB TRP 37 -2.528 7.241 2.048
251 HD1 TRP 37 HD TRP 37 0.482 7.031 4.249
252 HE1 TRP 37 1HE TRP 37 2.013 4.950 3.709
253 HE3 TRP 37 3HE TRP 37 -1.724 5.896 -0.189
254 HZ2 TRP 37 2HZ TRP 37 2.127 3.105 1.535
255 HZ3 TRP 37 3HZ TRP 37 -0.843 3.939 -1.458
256 HH2 TRP 37 HH TRP 37 1.015 2.564 -0.663
257 H VAL 38 H VAL 38 0.837 8.184 -0.108
258 HA VAL 38 HA VAL 38 -0.649 6.893 -2.221
259 HB VAL 38 HB VAL 38 0.490 8.311 -3.950
260 HG11 VAL 38 1HG1 VAL 38 -1.949 8.540 -2.931
261 HG12 VAL 38 2HG1 VAL 38 -1.320 10.112 -2.384
262 HG13 VAL 38 3HG1 VAL 38 -1.325 9.710 -4.118
263 HG21 VAL 38 3HG2 VAL 38 1.746 9.443 -1.673
264 HG22 VAL 38 1HG2 VAL 38 1.939 9.906 -3.381
265 HG23 VAL 38 2HG2 VAL 38 0.708 10.708 -2.375
266 H CYS 39 H CYS 39 0.728 5.553 -3.559
267 HA CYS 39 HA CYS 39 2.621 4.170 -2.268
268 HB2 CYS 39 1HB CYS 39 1.794 3.303 -4.281
269 HB3 CYS 39 2HB CYS 39 2.252 4.723 -5.200
270 HA PRO 40 HA PRO 40 5.700 7.372 -2.049
271 HB2 PRO 40 1HB PRO 40 7.065 6.352 0.087
272 HB3 PRO 40 2HB PRO 40 5.703 7.442 0.252
273 HG2 PRO 40 1HG PRO 40 5.809 4.525 0.718
274 HG3 PRO 40 2HG PRO 40 4.615 5.682 1.271
275 HD2 PRO 40 1HD PRO 40 4.329 3.823 -0.894
276 HD3 PRO 40 2HD PRO 40 3.182 5.058 -0.415
277 H VAL 41 H VAL 41 5.924 5.860 -4.190
278 HA VAL 41 HA VAL 41 8.767 5.278 -4.114
279 HB VAL 41 HB VAL 41 6.717 3.266 -5.063
280 HG11 VAL 41 1HG1 VAL 41 8.485 2.737 -6.398
281 HG12 VAL 41 2HG1 VAL 41 9.678 3.489 -5.312
282 HG13 VAL 41 3HG1 VAL 41 9.018 1.881 -4.931
283 HG21 VAL 41 3HG2 VAL 41 7.827 1.891 -3.156
284 HG22 VAL 41 1HG2 VAL 41 8.315 3.479 -2.516
285 HG23 VAL 41 2HG2 VAL 41 6.590 3.102 -2.740
286 H CYS 42 H CYS 42 5.680 5.457 -5.983
287 HA CYS 42 HA CYS 42 7.272 6.552 -8.187
288 HB2 CYS 42 1HB CYS 42 5.771 5.653 -9.750
289 HB3 CYS 42 2HB CYS 42 6.141 4.357 -8.630
290 H GLY 43 H GLY 43 4.091 6.603 -6.435
291 HA2 GLY 43 1HA GLY 43 3.678 9.011 -5.658
292 HA3 GLY 43 2HA GLY 43 3.671 9.364 -7.374
293 H ALA 44 H ALA 44 2.439 6.835 -8.247
294 HA ALA 44 HA ALA 44 -0.075 7.333 -8.602
295 HB1 ALA 44 1HB ALA 44 0.688 4.623 -7.469
296 HB2 ALA 44 2HB ALA 44 -0.501 4.995 -8.741
297 HB3 ALA 44 3HB ALA 44 1.239 5.176 -9.069
298 HA PRO 45 HA PRO 45 -2.073 7.893 -4.799
299 HB2 PRO 45 1HB PRO 45 -4.678 7.815 -5.619
300 HB3 PRO 45 2HB PRO 45 -3.671 9.242 -5.764
301 HG2 PRO 45 1HG PRO 45 -4.530 7.357 -7.873
302 HG3 PRO 45 2HG PRO 45 -3.899 8.983 -8.044
303 HD2 PRO 45 1HD PRO 45 -2.481 6.535 -8.514
304 HD3 PRO 45 2HD PRO 45 -1.820 8.156 -8.572
305 H LYS 46 H LYS 46 -3.335 6.926 -3.098
306 HA LYS 46 HA LYS 46 -2.870 4.191 -2.980
307 HB2 LYS 46 1HB LYS 46 -3.632 4.361 -0.853
308 HB3 LYS 46 2HB LYS 46 -3.430 6.073 -1.168
309 HG2 LYS 46 1HG LYS 46 -5.918 5.934 -2.075
310 HG3 LYS 46 2HG LYS 46 -5.988 4.445 -1.154
311 HD2 LYS 46 1HD LYS 46 -4.770 6.344 0.581
312 HD3 LYS 46 2HD LYS 46 -6.081 7.206 -0.199
313 HE2 LYS 46 1HE LYS 46 -7.463 6.224 1.319
314 HE3 LYS 46 2HE LYS 46 -7.256 4.742 0.406
315 HZ1 LYS 46 2HZ LYS 46 -5.679 3.966 1.906
316 HZ3 LYS 46 1HZ LYS 46 -6.643 4.795 2.924
317 H SER 47 H SER 47 -5.318 6.013 -4.636
318 HA SER 47 HA SER 47 -7.339 4.076 -4.519
319 HB2 SER 47 1HB SER 47 -6.933 6.678 -5.678
320 HB3 SER 47 2HB SER 47 -7.505 5.620 -6.952
321 HG SER 47 HG SER 47 -9.324 6.497 -5.910
322 H GLU 48 H GLU 48 -4.280 4.145 -6.056
323 HA GLU 48 HA GLU 48 -5.209 2.342 -8.143
324 HB2 GLU 48 1HB GLU 48 -2.519 3.758 -7.894
325 HB3 GLU 48 2HB GLU 48 -3.056 2.804 -9.262
326 HG2 GLU 48 1HG GLU 48 -5.098 4.457 -9.340
327 HG3 GLU 48 2HG GLU 48 -4.120 5.486 -8.313
328 HE2 GLU 48 HE GLU 48 -4.444 6.427 -11.146
329 H PHE 49 H PHE 49 -5.083 1.467 -5.387
330 HA PHE 49 HA PHE 49 -2.853 -0.430 -5.605
331 HB2 PHE 49 1HB PHE 49 -3.647 1.513 -3.556
332 HB3 PHE 49 2HB PHE 49 -3.807 -0.099 -2.888
333 HD1 PHE 49 1HD PHE 49 -1.685 -1.673 -3.510
334 HD2 PHE 49 2HD PHE 49 -1.631 2.560 -3.212
335 HE1 PHE 49 1HE PHE 49 0.785 -1.735 -3.069
336 HE2 PHE 49 2HE PHE 49 0.839 2.498 -2.771
337 HZ PHE 49 HZ PHE 49 2.017 0.351 -2.704
338 H GLU 50 H GLU 50 -3.317 -2.604 -5.211
339 HA GLU 50 HA GLU 50 -5.985 -3.193 -4.258
340 HB2 GLU 50 1HB GLU 50 -6.515 -4.669 -6.086
341 HB3 GLU 50 2HB GLU 50 -6.025 -3.142 -6.791
342 HG2 GLU 50 1HG GLU 50 -3.802 -4.002 -7.310
343 HG3 GLU 50 2HG GLU 50 -4.086 -5.461 -6.382
344 HE2 GLU 50 HE GLU 50 -5.231 -7.002 -7.278
345 H ALA 51 H ALA 51 -6.206 -5.557 -3.630
346 HA ALA 51 HA ALA 51 -3.679 -6.424 -2.483
347 HB1 ALA 51 1HB ALA 51 -4.970 -7.513 -0.893
348 HB2 ALA 51 2HB ALA 51 -6.053 -6.170 -1.329
349 HB3 ALA 51 3HB ALA 51 -6.320 -7.788 -2.021
350 H ALA 52 H ALA 52 -2.432 -7.601 -3.874
351 HA ALA 52 HA ALA 52 -3.707 -9.291 -5.833
352 HB1 ALA 52 1HB ALA 52 -1.544 -7.804 -6.024
353 HB2 ALA 52 2HB ALA 52 -0.746 -9.204 -5.268
354 HB3 ALA 52 3HB ALA 52 -1.595 -9.395 -6.820
Start of MODEL 2
1 H1 MET 1 H MET 1 -5.878 -11.879 2.712
2 HA MET 1 HA MET 1 -3.710 -13.535 3.447
3 HB2 MET 1 1HB MET 1 -4.317 -13.114 0.603
4 HB3 MET 1 2HB MET 1 -2.761 -12.406 0.989
5 HG2 MET 1 1HG MET 1 -3.190 -15.105 2.175
6 HG3 MET 1 2HG MET 1 -3.181 -15.088 0.422
7 HE1 MET 1 3HE MET 1 -0.017 -16.466 0.802
8 HE2 MET 1 1HE MET 1 -0.073 -16.165 2.556
9 HE3 MET 1 2HE MET 1 -1.537 -16.702 1.697
10 H LYS 2 H LYS 2 -4.773 -10.463 1.857
11 HA LYS 2 HA LYS 2 -4.438 -8.362 2.548
12 HB2 LYS 2 1HB LYS 2 -3.743 -9.714 4.855
13 HB3 LYS 2 2HB LYS 2 -2.289 -8.803 4.504
14 HG2 LYS 2 1HG LYS 2 -3.532 -7.247 5.749
15 HG3 LYS 2 2HG LYS 2 -3.922 -6.775 4.107
16 HD2 LYS 2 1HD LYS 2 -5.826 -8.762 4.679
17 HD3 LYS 2 2HD LYS 2 -5.675 -7.901 6.197
18 HE2 LYS 2 1HE LYS 2 -5.785 -5.761 4.519
19 HE3 LYS 2 2HE LYS 2 -6.675 -6.911 3.542
20 HZ1 LYS 2 2HZ LYS 2 -8.308 -7.128 5.188
21 HZ3 LYS 2 1HZ LYS 2 -7.961 -5.540 5.285
22 H LYS 3 H LYS 3 -2.055 -6.964 3.044
23 HA LYS 3 HA LYS 3 -0.274 -6.169 2.012
24 HB2 LYS 3 1HB LYS 3 0.197 -9.068 1.254
25 HB3 LYS 3 2HB LYS 3 1.364 -7.779 1.040
26 HG2 LYS 3 1HG LYS 3 0.103 -8.253 3.761
27 HG3 LYS 3 2HG LYS 3 1.447 -9.245 3.231
28 HD2 LYS 3 1HD LYS 3 1.545 -6.196 3.210
29 HD3 LYS 3 2HD LYS 3 2.056 -7.147 4.590
30 HE2 LYS 3 1HE LYS 3 4.076 -7.500 3.623
31 HE3 LYS 3 2HE LYS 3 3.306 -8.292 2.263
32 HZ1 LYS 3 2HZ LYS 3 3.541 -5.340 2.469
33 HZ3 LYS 3 1HZ LYS 3 3.081 -6.188 1.157
34 H TYR 4 H TYR 4 -0.575 -4.785 0.359
35 HA TYR 4 HA TYR 4 -1.673 -5.915 -2.127
36 HB2 TYR 4 1HB TYR 4 -1.710 -2.965 -1.507
37 HB3 TYR 4 2HB TYR 4 -2.983 -3.944 -2.207
38 HD1 TYR 4 1HD TYR 4 -1.303 -3.123 1.018
39 HD2 TYR 4 2HD TYR 4 -4.784 -4.724 -0.885
40 HE1 TYR 4 1HE TYR 4 -2.521 -3.147 3.250
41 HE2 TYR 4 2HE TYR 4 -5.990 -4.744 1.354
42 HH TYR 4 HH TYR 4 -5.925 -3.803 3.438
43 H VAL 5 H VAL 5 -1.192 -3.920 -3.914
44 HA VAL 5 HA VAL 5 1.628 -3.229 -3.680
45 HB VAL 5 HB VAL 5 0.395 -4.987 -5.791
46 HG11 VAL 5 1HG1 VAL 5 2.531 -2.966 -6.096
47 HG12 VAL 5 2HG1 VAL 5 2.942 -4.592 -6.693
48 HG13 VAL 5 3HG1 VAL 5 1.505 -3.751 -7.321
49 HG21 VAL 5 3HG2 VAL 5 3.098 -5.382 -4.549
50 HG22 VAL 5 1HG2 VAL 5 1.642 -5.774 -3.602
51 HG23 VAL 5 2HG2 VAL 5 1.935 -6.583 -5.160
52 H CYS 6 H CYS 6 2.219 -1.395 -4.954
53 HA CYS 6 HA CYS 6 0.421 0.589 -5.133
54 HB2 CYS 6 1HB CYS 6 2.555 1.332 -5.386
55 HB3 CYS 6 2HB CYS 6 3.014 0.032 -6.468
56 H THR 7 H THR 7 1.297 -1.841 -7.673
57 HA THR 7 HA THR 7 0.162 -2.600 -9.432
58 HB THR 7 HB THR 7 -2.224 -0.965 -8.436
59 HG1 THR 7 1HG THR 7 -1.309 -3.676 -7.793
60 HG21 THR 7 3HG2 THR 7 -3.270 -3.304 -9.176
61 HG22 THR 7 1HG2 THR 7 -2.940 -2.061 -10.407
62 HG23 THR 7 2HG2 THR 7 -1.804 -3.412 -10.180
63 H VAL 8 H VAL 8 1.862 -0.294 -9.592
64 HA VAL 8 HA VAL 8 0.843 0.724 -12.090
65 HB VAL 8 HB VAL 8 1.720 2.766 -10.083
66 HG11 VAL 8 1HG1 VAL 8 -0.337 3.728 -11.736
67 HG12 VAL 8 2HG1 VAL 8 1.406 4.062 -11.874
68 HG13 VAL 8 3HG1 VAL 8 0.682 2.719 -12.791
69 HG21 VAL 8 3HG2 VAL 8 -0.104 1.478 -8.995
70 HG22 VAL 8 1HG2 VAL 8 -0.567 3.156 -9.366
71 HG23 VAL 8 2HG2 VAL 8 -1.150 1.825 -10.393
72 H CYS 9 H CYS 9 3.370 0.812 -9.507
73 HA CYS 9 HA CYS 9 5.338 0.808 -11.678
74 HB2 CYS 9 1HB CYS 9 6.779 2.195 -10.497
75 HB3 CYS 9 2HB CYS 9 5.205 2.941 -10.311
76 H GLY 10 H GLY 10 4.605 -0.050 -8.225
77 HA2 GLY 10 1HA GLY 10 4.823 -2.556 -7.918
78 HA3 GLY 10 2HA GLY 10 6.471 -2.327 -8.469
79 H TYR 11 H TYR 11 4.171 -1.839 -5.824
80 HA TYR 11 HA TYR 11 6.379 -1.535 -3.996
81 HB2 TYR 11 1HB TYR 11 5.923 0.809 -4.674
82 HB3 TYR 11 2HB TYR 11 4.193 0.550 -4.575
83 HD1 TYR 11 2HD TYR 11 7.193 0.251 -2.327
84 HD2 TYR 11 1HD TYR 11 3.110 1.460 -2.742
85 HE1 TYR 11 2HE TYR 11 7.196 1.108 0.067
86 HE2 TYR 11 1HE TYR 11 3.127 2.313 -0.347
87 HH TYR 11 HH TYR 11 4.866 1.477 1.849
88 H GLU 12 H GLU 12 5.857 -3.234 -2.684
89 HA GLU 12 HA GLU 12 3.075 -3.688 -2.111
90 HB2 GLU 12 1HB GLU 12 3.841 -5.773 -1.079
91 HB3 GLU 12 2HB GLU 12 4.581 -5.593 -2.657
92 HG2 GLU 12 1HG GLU 12 6.620 -4.581 -1.490
93 HG3 GLU 12 2HG GLU 12 5.883 -5.006 0.041
94 HE2 GLU 12 HE GLU 12 7.503 -7.977 -0.183
95 H TYR 13 H TYR 13 2.058 -2.874 -0.330
96 HA TYR 13 HA TYR 13 3.736 -1.661 1.725
97 HB2 TYR 13 1HB TYR 13 1.962 -0.254 0.828
98 HB3 TYR 13 2HB TYR 13 0.832 -1.592 0.760
99 HD1 TYR 13 1HD TYR 13 2.713 0.523 3.211
100 HD2 TYR 13 2HD TYR 13 -0.753 -1.870 2.462
101 HE1 TYR 13 1HE TYR 13 1.733 1.229 5.449
102 HE2 TYR 13 2HE TYR 13 -1.721 -1.156 4.702
103 HH TYR 13 HH TYR 13 0.010 0.081 7.100
104 H ASP 14 H ASP 14 3.674 -2.248 3.905
105 HA ASP 14 HA ASP 14 2.277 -4.759 4.376
106 HB2 ASP 14 1HB ASP 14 4.937 -4.219 4.694
107 HB3 ASP 14 2HB ASP 14 4.365 -3.760 6.285
108 HD2 ASP 14 HD ASP 14 3.084 -7.221 6.550
109 HA PRO 15 HA PRO 15 -0.031 -2.067 7.074
110 HB2 PRO 15 1HB PRO 15 -2.138 -3.752 7.507
111 HB3 PRO 15 2HB PRO 15 -2.057 -2.649 6.148
112 HG2 PRO 15 1HG PRO 15 -1.660 -5.578 6.184
113 HG3 PRO 15 2HG PRO 15 -2.003 -4.534 4.819
114 HD2 PRO 15 1HD PRO 15 0.535 -5.679 5.510
115 HD3 PRO 15 2HD PRO 15 0.215 -4.543 4.214
116 H ALA 16 H ALA 16 0.944 -5.325 7.710
117 HA ALA 16 HA ALA 16 0.373 -5.173 10.493
118 HB1 ALA 16 1HB ALA 16 0.412 -7.337 9.551
119 HB2 ALA 16 2HB ALA 16 1.936 -7.032 8.684
120 HB3 ALA 16 3HB ALA 16 1.944 -7.237 10.452
121 H GLU 17 H GLU 17 2.577 -3.534 8.550
122 HA GLU 17 HA GLU 17 4.430 -3.341 10.796
123 HB2 GLU 17 1HB GLU 17 5.350 -4.404 8.664
124 HB3 GLU 17 2HB GLU 17 5.114 -2.862 7.865
125 HG2 GLU 17 1HG GLU 17 7.060 -2.079 8.721
126 HG3 GLU 17 2HG GLU 17 6.488 -2.360 10.354
127 HE2 GLU 17 HE GLU 17 9.334 -3.973 8.723
128 H GLY 18 H GLY 18 3.221 -1.559 7.860
129 HA2 GLY 18 1HA GLY 18 2.007 0.513 8.313
130 HA3 GLY 18 2HA GLY 18 3.231 0.901 9.505
131 H ASP 19 H ASP 19 4.003 2.814 8.540
132 HA ASP 19 HA ASP 19 5.899 2.410 6.513
133 HB2 ASP 19 1HB ASP 19 3.497 2.666 5.366
134 HB3 ASP 19 2HB ASP 19 3.741 4.369 5.700
135 HD2 ASP 19 HD ASP 19 5.367 1.701 4.230
136 HA PRO 20 HA PRO 20 7.010 5.981 8.867
137 HB2 PRO 20 1HB PRO 20 9.559 6.286 7.929
138 HB3 PRO 20 2HB PRO 20 9.141 5.190 9.232
139 HG2 PRO 20 1HG PRO 20 9.796 4.561 6.418
140 HG3 PRO 20 2HG PRO 20 9.796 3.496 7.810
141 HD2 PRO 20 1HD PRO 20 7.799 3.635 5.755
142 HD3 PRO 20 2HD PRO 20 7.744 2.654 7.206
143 H ASP 21 H ASP 21 7.494 5.843 5.409
144 HA ASP 21 HA ASP 21 8.054 8.356 4.815
145 HB2 ASP 21 1HB ASP 21 7.101 6.192 3.421
146 HB3 ASP 21 2HB ASP 21 5.716 7.259 3.299
147 HD2 ASP 21 HD ASP 21 8.714 7.208 1.095
148 H ASN 22 H ASN 22 4.742 7.021 5.518
149 HA ASN 22 HA ASN 22 3.831 9.771 5.810
150 HB2 ASN 22 1HB ASN 22 2.456 7.178 5.033
151 HB3 ASN 22 2HB ASN 22 1.498 8.452 5.761
152 HD21 ASN 22 1HD2 ASN 22 3.859 7.810 3.195
153 HD22 ASN 22 2HD2 ASN 22 3.253 8.948 2.038
154 H GLY 23 H GLY 23 5.383 8.249 7.838
155 HA2 GLY 23 1HA GLY 23 5.246 7.381 9.944
156 HA3 GLY 23 2HA GLY 23 4.316 8.847 10.186
157 H VAL 24 H VAL 24 4.119 5.340 9.475
158 HA VAL 24 HA VAL 24 1.334 5.437 10.408
159 HB VAL 24 HB VAL 24 2.602 4.038 8.093
160 HG11 VAL 24 1HG1 VAL 24 0.826 2.372 8.010
161 HG12 VAL 24 2HG1 VAL 24 1.739 2.216 9.530
162 HG13 VAL 24 3HG1 VAL 24 0.137 2.994 9.529
163 HG21 VAL 24 3HG2 VAL 24 -0.204 4.669 7.845
164 HG22 VAL 24 1HG2 VAL 24 0.688 6.083 8.457
165 HG23 VAL 24 2HG2 VAL 24 1.184 5.309 6.933
166 H LYS 25 H LYS 25 0.630 3.427 11.538
167 HA LYS 25 HA LYS 25 2.904 2.329 13.020
168 HB2 LYS 25 1HB LYS 25 0.060 2.955 13.708
169 HB3 LYS 25 2HB LYS 25 0.838 1.624 14.540
170 HG2 LYS 25 1HG LYS 25 2.115 3.029 15.796
171 HG3 LYS 25 2HG LYS 25 2.633 3.937 14.389
172 HD2 LYS 25 1HD LYS 25 1.428 5.577 15.540
173 HD3 LYS 25 2HD LYS 25 0.187 4.957 14.469
174 HE2 LYS 25 1HE LYS 25 -0.143 3.231 16.558
175 HE3 LYS 25 2HE LYS 25 0.487 4.611 17.436
176 HZ1 LYS 25 2HZ LYS 25 -2.037 4.374 15.995
177 HZ3 LYS 25 1HZ LYS 25 -1.314 5.831 15.914
178 HA PRO 26 HA PRO 26 2.131 -1.621 11.464
179 HB2 PRO 26 1HB PRO 26 2.717 -3.272 13.561
180 HB3 PRO 26 2HB PRO 26 3.944 -2.524 12.558
181 HG2 PRO 26 1HG PRO 26 3.115 -1.820 15.306
182 HG3 PRO 26 2HG PRO 26 4.587 -1.387 14.459
183 HD2 PRO 26 1HD PRO 26 2.321 0.306 14.937
184 HD3 PRO 26 2HD PRO 26 3.742 0.700 13.991
185 H GLY 27 H GLY 27 0.692 -3.353 11.145
186 HA2 GLY 27 1HA GLY 27 -1.179 -4.573 11.632
187 HA3 GLY 27 2HA GLY 27 -1.386 -3.691 13.133
188 H THR 28 H THR 28 -0.861 -1.187 11.113
189 HA THR 28 HA THR 28 -3.633 -0.543 10.931
190 HB THR 28 HB THR 28 -1.107 0.797 9.826
191 HG1 THR 28 1HG THR 28 -1.088 1.669 11.910
192 HG21 THR 28 3HG2 THR 28 -2.662 2.868 10.265
193 HG22 THR 28 1HG2 THR 28 -2.930 1.937 8.772
194 HG23 THR 28 2HG2 THR 28 -3.998 1.695 10.175
195 H SER 29 H SER 29 -5.040 -0.572 9.236
196 HA SER 29 HA SER 29 -4.195 -2.214 7.045
197 HB2 SER 29 1HB SER 29 -6.488 -2.506 6.578
198 HB3 SER 29 2HB SER 29 -6.453 -2.349 8.323
199 HG SER 29 HG SER 29 -7.692 -0.746 6.452
200 H PHE 30 H PHE 30 -4.324 -1.566 4.787
201 HA PHE 30 HA PHE 30 -3.306 0.903 4.213
202 HB2 PHE 30 1HB PHE 30 -3.520 -1.265 2.801
203 HB3 PHE 30 2HB PHE 30 -5.186 -0.818 2.489
204 HD1 PHE 30 1HD PHE 30 -5.708 1.116 1.066
205 HD2 PHE 30 2HD PHE 30 -1.701 -0.132 1.698
206 HE1 PHE 30 1HE PHE 30 -4.971 2.482 -0.906
207 HE2 PHE 30 2HE PHE 30 -0.965 1.235 -0.275
208 HZ PHE 30 HZ PHE 30 -2.609 2.526 -1.553
209 H ASP 31 H ASP 31 -6.762 -0.189 4.026
210 HA ASP 31 HA ASP 31 -7.813 2.070 2.967
211 HB2 ASP 31 1HB ASP 31 -8.748 -0.223 4.525
212 HB3 ASP 31 2HB ASP 31 -9.648 1.213 4.970
213 HD2 ASP 31 HD ASP 31 -11.794 0.256 2.949
214 H ASP 32 H ASP 32 -6.588 1.397 6.237
215 HA ASP 32 HA ASP 32 -7.909 3.492 7.531
216 HB2 ASP 32 1HB ASP 32 -6.393 1.365 8.332
217 HB3 ASP 32 2HB ASP 32 -5.190 2.632 8.469
218 HD2 ASP 32 HD ASP 32 -5.660 4.116 10.566
219 H LEU 33 H LEU 33 -4.983 3.167 5.541
220 HA LEU 33 HA LEU 33 -3.500 5.327 6.360
221 HB2 LEU 33 1HB LEU 33 -3.882 4.251 3.562
222 HB3 LEU 33 2HB LEU 33 -2.585 5.310 4.076
223 HG LEU 33 HG LEU 33 -3.054 2.562 5.256
224 HD11 LEU 33 1HD1 LEU 33 -1.243 3.381 2.970
225 HD12 LEU 33 2HD1 LEU 33 -1.153 1.825 3.831
226 HD13 LEU 33 3HD1 LEU 33 -2.617 2.251 2.912
227 HD21 LEU 33 3HD2 LEU 33 -1.134 4.743 5.752
228 HD22 LEU 33 1HD2 LEU 33 -1.667 3.409 6.803
229 HD23 LEU 33 2HD2 LEU 33 -0.409 3.126 5.576
230 HA PRO 34 HA PRO 34 -5.715 8.827 5.153
231 HB2 PRO 34 1HB PRO 34 -3.740 10.626 4.576
232 HB3 PRO 34 2HB PRO 34 -4.237 10.240 6.212
233 HG2 PRO 34 1HG PRO 34 -1.802 9.392 4.765
234 HG3 PRO 34 2HG PRO 34 -2.114 9.382 6.489
235 HD2 PRO 34 1HD PRO 34 -2.149 7.120 4.726
236 HD3 PRO 34 2HD PRO 34 -2.573 7.130 6.426
237 H ALA 35 H ALA 35 -6.310 10.419 3.463
238 HA ALA 35 HA ALA 35 -6.324 9.023 0.988
239 HB1 ALA 35 1HB ALA 35 -7.511 11.144 0.241
240 HB2 ALA 35 2HB ALA 35 -8.251 10.305 1.626
241 HB3 ALA 35 3HB ALA 35 -7.271 11.766 1.891
242 H ASP 36 H ASP 36 -4.365 11.575 2.491
243 HA ASP 36 HA ASP 36 -3.263 12.445 0.040
244 HB2 ASP 36 1HB ASP 36 -3.406 13.708 2.304
245 HB3 ASP 36 2HB ASP 36 -2.038 12.739 2.815
246 HD2 ASP 36 HD ASP 36 -0.167 13.051 1.837
247 H TRP 37 H TRP 37 -3.079 9.518 1.555
248 HA TRP 37 HA TRP 37 -0.211 9.152 1.452
249 HB2 TRP 37 1HB TRP 37 -1.579 8.163 3.250
250 HB3 TRP 37 2HB TRP 37 -2.437 7.199 2.064
251 HD1 TRP 37 HD TRP 37 0.580 7.046 4.249
252 HE1 TRP 37 1HE TRP 37 2.107 4.949 3.763
253 HE3 TRP 37 3HE TRP 37 -1.637 5.794 -0.153
254 HZ2 TRP 37 2HZ TRP 37 2.214 3.045 1.640
255 HZ3 TRP 37 3HZ TRP 37 -0.761 3.802 -1.369
256 HH2 TRP 37 HH TRP 37 1.097 2.446 -0.540
257 H VAL 38 H VAL 38 0.879 8.305 -0.296
258 HA VAL 38 HA VAL 38 -0.591 6.769 -2.254
259 HB VAL 38 HB VAL 38 0.207 8.211 -4.111
260 HG11 VAL 38 1HG1 VAL 38 -1.616 9.705 -2.202
261 HG12 VAL 38 2HG1 VAL 38 -1.594 9.789 -3.980
262 HG13 VAL 38 3HG1 VAL 38 -2.124 8.297 -3.166
263 HG21 VAL 38 3HG2 VAL 38 0.588 10.451 -2.138
264 HG22 VAL 38 1HG2 VAL 38 1.940 9.358 -2.523
265 HG23 VAL 38 2HG2 VAL 38 1.165 10.305 -3.816
266 H CYS 39 H CYS 39 0.840 5.544 -3.654
267 HA CYS 39 HA CYS 39 2.900 4.350 -2.499
268 HB2 CYS 39 1HB CYS 39 2.144 3.476 -4.528
269 HB3 CYS 39 2HB CYS 39 2.407 4.975 -5.396
270 HA PRO 40 HA PRO 40 5.679 7.802 -2.179
271 HB2 PRO 40 1HB PRO 40 7.212 6.789 -0.156
272 HB3 PRO 40 2HB PRO 40 5.758 7.728 0.121
273 HG2 PRO 40 1HG PRO 40 6.161 4.812 0.390
274 HG3 PRO 40 2HG PRO 40 4.881 5.809 1.053
275 HD2 PRO 40 1HD PRO 40 4.698 4.070 -1.220
276 HD3 PRO 40 2HD PRO 40 3.455 5.154 -0.627
277 H VAL 41 H VAL 41 5.895 6.123 -4.345
278 HA VAL 41 HA VAL 41 8.811 5.932 -4.424
279 HB VAL 41 HB VAL 41 7.003 3.801 -5.557
280 HG11 VAL 41 1HG1 VAL 41 8.915 2.632 -6.086
281 HG12 VAL 41 2HG1 VAL 41 9.492 4.302 -6.297
282 HG13 VAL 41 3HG1 VAL 41 9.880 3.408 -4.808
283 HG21 VAL 41 3HG2 VAL 41 6.584 3.206 -3.422
284 HG22 VAL 41 1HG2 VAL 41 8.251 2.582 -3.451
285 HG23 VAL 41 2HG2 VAL 41 7.916 4.195 -2.777
286 H CYS 42 H CYS 42 5.772 5.537 -6.386
287 HA CYS 42 HA CYS 42 7.135 7.039 -8.492
288 HB2 CYS 42 1HB CYS 42 5.828 5.967 -10.078
289 HB3 CYS 42 2HB CYS 42 6.244 4.701 -8.941
290 H GLY 43 H GLY 43 4.165 6.714 -6.477
291 HA2 GLY 43 1HA GLY 43 3.296 8.849 -5.639
292 HA3 GLY 43 2HA GLY 43 3.422 9.466 -7.274
293 H ALA 44 H ALA 44 2.520 6.091 -6.975
294 HA ALA 44 HA ALA 44 0.090 6.494 -8.307
295 HB1 ALA 44 1HB ALA 44 1.233 4.405 -8.525
296 HB2 ALA 44 2HB ALA 44 1.293 4.173 -6.761
297 HB3 ALA 44 3HB ALA 44 -0.261 4.058 -7.621
298 HA PRO 45 HA PRO 45 -2.483 7.518 -4.972
299 HB2 PRO 45 1HB PRO 45 -4.922 7.174 -6.156
300 HB3 PRO 45 2HB PRO 45 -3.953 8.619 -6.362
301 HG2 PRO 45 1HG PRO 45 -4.403 6.403 -8.266
302 HG3 PRO 45 2HG PRO 45 -3.809 8.020 -8.584
303 HD2 PRO 45 1HD PRO 45 -2.252 5.614 -8.456
304 HD3 PRO 45 2HD PRO 45 -1.645 7.245 -8.659
305 H LYS 46 H LYS 46 -3.460 6.666 -3.176
306 HA LYS 46 HA LYS 46 -3.151 3.942 -2.831
307 HB2 LYS 46 1HB LYS 46 -4.110 4.259 -0.722
308 HB3 LYS 46 2HB LYS 46 -3.373 5.805 -1.094
309 HG2 LYS 46 1HG LYS 46 -5.401 6.735 -0.657
310 HG3 LYS 46 2HG LYS 46 -5.927 6.078 -2.194
311 HD2 LYS 46 1HD LYS 46 -7.536 5.197 -0.726
312 HD3 LYS 46 2HD LYS 46 -6.397 3.871 -0.839
313 HE2 LYS 46 1HE LYS 46 -6.900 4.182 1.512
314 HE3 LYS 46 2HE LYS 46 -5.258 4.739 1.258
315 HZ1 LYS 46 2HZ LYS 46 -6.439 6.381 2.535
316 HZ3 LYS 46 1HZ LYS 46 -7.665 6.464 1.467
317 H SER 47 H SER 47 -5.527 5.689 -4.631
318 HA SER 47 HA SER 47 -7.593 3.778 -4.275
319 HB2 SER 47 1HB SER 47 -7.551 6.368 -5.116
320 HB3 SER 47 2HB SER 47 -7.578 5.569 -6.676
321 HG SER 47 HG SER 47 -9.732 5.933 -5.985
322 H GLU 48 H GLU 48 -4.708 4.077 -6.216
323 HA GLU 48 HA GLU 48 -5.733 2.184 -8.154
324 HB2 GLU 48 1HB GLU 48 -3.223 3.899 -8.044
325 HB3 GLU 48 2HB GLU 48 -3.432 2.639 -9.245
326 HG2 GLU 48 1HG GLU 48 -5.442 3.711 -10.131
327 HG3 GLU 48 2HG GLU 48 -5.474 4.865 -8.813
328 HE2 GLU 48 HE GLU 48 -5.407 6.376 -10.364
329 H PHE 49 H PHE 49 -5.201 1.484 -5.288
330 HA PHE 49 HA PHE 49 -2.917 -0.315 -5.637
331 HB2 PHE 49 1HB PHE 49 -4.313 1.155 -3.401
332 HB3 PHE 49 2HB PHE 49 -3.722 -0.440 -2.982
333 HD1 PHE 49 2HD PHE 49 -2.599 2.773 -4.492
334 HD2 PHE 49 1HD PHE 49 -1.502 -0.720 -2.345
335 HE1 PHE 49 2HE PHE 49 -0.303 3.719 -4.125
336 HE2 PHE 49 1HE PHE 49 0.793 0.226 -1.979
337 HZ PHE 49 HZ PHE 49 1.365 2.435 -2.873
338 H GLU 50 H GLU 50 -3.175 -2.532 -5.583
339 HA GLU 50 HA GLU 50 -5.851 -3.464 -4.906
340 HB2 GLU 50 1HB GLU 50 -5.859 -3.580 -7.278
341 HB3 GLU 50 2HB GLU 50 -4.186 -4.097 -7.358
342 HG2 GLU 50 1HG GLU 50 -4.688 -6.314 -6.821
343 HG3 GLU 50 2HG GLU 50 -6.093 -5.883 -5.867
344 HE2 GLU 50 HE GLU 50 -8.197 -5.535 -8.600
345 H ALA 51 H ALA 51 -5.949 -5.597 -3.950
346 HA ALA 51 HA ALA 51 -3.607 -6.226 -2.450
347 HB1 ALA 51 1HB ALA 51 -5.318 -8.263 -1.942
348 HB2 ALA 51 2HB ALA 51 -5.463 -6.660 -1.182
349 HB3 ALA 51 3HB ALA 51 -6.465 -7.069 -2.596
350 H ALA 52 H ALA 52 -2.006 -7.650 -2.945
351 HA ALA 52 HA ALA 52 -2.362 -9.201 -5.393
352 HB1 ALA 52 1HB ALA 52 -0.323 -7.574 -4.504
353 HB2 ALA 52 2HB ALA 52 0.268 -9.188 -4.044
354 HB3 ALA 52 3HB ALA 52 -0.150 -8.843 -5.740
Start of MODEL 3
1 H1 MET 1 H MET 1 -2.164 -11.967 7.797
2 HA MET 1 HA MET 1 -2.915 -10.059 7.000
3 HB2 MET 1 1HB MET 1 -0.131 -9.718 8.000
4 HB3 MET 1 2HB MET 1 -0.642 -8.399 6.966
5 HG2 MET 1 1HG MET 1 -2.628 -9.288 9.032
6 HG3 MET 1 2HG MET 1 -1.186 -8.501 9.642
7 HE1 MET 1 3HE MET 1 -4.521 -8.156 8.784
8 HE2 MET 1 1HE MET 1 -4.083 -6.989 10.055
9 HE3 MET 1 2HE MET 1 -4.776 -6.414 8.520
10 H LYS 2 H LYS 2 -3.606 -10.113 4.875
11 HA LYS 2 HA LYS 2 -1.911 -10.504 2.697
12 HB2 LYS 2 1HB LYS 2 -3.819 -10.101 1.358
13 HB3 LYS 2 2HB LYS 2 -4.401 -10.883 2.814
14 HG2 LYS 2 1HG LYS 2 -5.693 -9.095 3.355
15 HG3 LYS 2 2HG LYS 2 -4.339 -7.993 3.209
16 HD2 LYS 2 1HD LYS 2 -5.029 -7.269 1.166
17 HD3 LYS 2 2HD LYS 2 -5.196 -8.907 0.564
18 HE2 LYS 2 1HE LYS 2 -7.357 -8.686 2.327
19 HE3 LYS 2 2HE LYS 2 -7.264 -7.078 1.637
20 HZ1 LYS 2 2HZ LYS 2 -7.748 -9.622 0.246
21 HZ3 LYS 2 1HZ LYS 2 -7.062 -8.405 -0.590
22 H LYS 3 H LYS 3 -1.120 -9.038 1.081
23 HA LYS 3 HA LYS 3 -1.011 -6.253 2.001
24 HB2 LYS 3 1HB LYS 3 1.341 -6.190 1.161
25 HB3 LYS 3 2HB LYS 3 1.105 -7.185 2.583
26 HG2 LYS 3 1HG LYS 3 0.694 -8.753 0.139
27 HG3 LYS 3 2HG LYS 3 2.266 -7.979 0.124
28 HD2 LYS 3 1HD LYS 3 2.961 -9.713 1.428
29 HD3 LYS 3 2HD LYS 3 2.125 -8.906 2.739
30 HE2 LYS 3 1HE LYS 3 0.546 -10.541 2.850
31 HE3 LYS 3 2HE LYS 3 0.220 -10.434 1.132
32 HZ1 LYS 3 2HZ LYS 3 2.469 -11.960 2.335
33 HZ3 LYS 3 1HZ LYS 3 2.168 -11.859 0.738
34 H TYR 4 H TYR 4 -0.751 -4.664 0.265
35 HA TYR 4 HA TYR 4 -1.896 -5.698 -2.232
36 HB2 TYR 4 1HB TYR 4 -1.688 -2.763 -1.572
37 HB3 TYR 4 2HB TYR 4 -3.055 -3.632 -2.239
38 HD1 TYR 4 2HD TYR 4 -1.268 -2.801 0.900
39 HD2 TYR 4 1HD TYR 4 -4.798 -4.492 -0.829
40 HE1 TYR 4 2HE TYR 4 -2.403 -2.775 3.174
41 HE2 TYR 4 1HE TYR 4 -5.921 -4.460 1.452
42 HH TYR 4 HH TYR 4 -5.240 -4.485 3.792
43 H VAL 5 H VAL 5 -1.342 -3.630 -3.968
44 HA VAL 5 HA VAL 5 1.521 -3.161 -3.854
45 HB VAL 5 HB VAL 5 0.145 -4.717 -6.050
46 HG11 VAL 5 1HG1 VAL 5 3.076 -4.010 -6.043
47 HG12 VAL 5 2HG1 VAL 5 2.043 -4.536 -7.394
48 HG13 VAL 5 3HG1 VAL 5 1.871 -2.894 -6.730
49 HG21 VAL 5 3HG2 VAL 5 2.236 -6.237 -5.414
50 HG22 VAL 5 1HG2 VAL 5 2.045 -5.413 -3.847
51 HG23 VAL 5 2HG2 VAL 5 0.693 -6.346 -4.533
52 H CYS 6 H CYS 6 2.179 -1.370 -5.164
53 HA CYS 6 HA CYS 6 0.478 0.712 -5.288
54 HB2 CYS 6 1HB CYS 6 2.674 1.297 -5.557
55 HB3 CYS 6 2HB CYS 6 2.998 0.031 -6.724
56 H THR 7 H THR 7 1.354 -1.541 -8.013
57 HA THR 7 HA THR 7 0.096 -2.307 -9.703
58 HB THR 7 HB THR 7 -2.229 -0.552 -8.814
59 HG1 THR 7 1HG THR 7 -0.890 -2.853 -7.662
60 HG21 THR 7 3HG2 THR 7 -2.318 -3.488 -9.556
61 HG22 THR 7 1HG2 THR 7 -3.579 -2.246 -9.747
62 HG23 THR 7 2HG2 THR 7 -2.188 -2.281 -10.858
63 H VAL 8 H VAL 8 1.841 0.086 -9.678
64 HA VAL 8 HA VAL 8 0.912 1.125 -12.222
65 HB VAL 8 HB VAL 8 1.821 3.055 -10.106
66 HG11 VAL 8 1HG1 VAL 8 1.741 3.563 -12.631
67 HG12 VAL 8 2HG1 VAL 8 -0.028 3.563 -12.441
68 HG13 VAL 8 3HG1 VAL 8 0.965 4.721 -11.524
69 HG21 VAL 8 3HG2 VAL 8 -1.002 2.061 -10.585
70 HG22 VAL 8 1HG2 VAL 8 -0.083 2.070 -9.061
71 HG23 VAL 8 2HG2 VAL 8 -0.631 3.604 -9.779
72 H CYS 9 H CYS 9 3.421 1.042 -9.625
73 HA CYS 9 HA CYS 9 5.404 1.022 -11.783
74 HB2 CYS 9 1HB CYS 9 6.898 2.302 -10.539
75 HB3 CYS 9 2HB CYS 9 5.357 3.117 -10.362
76 H GLY 10 H GLY 10 4.607 0.086 -8.364
77 HA2 GLY 10 1HA GLY 10 4.717 -2.431 -8.127
78 HA3 GLY 10 2HA GLY 10 6.374 -2.262 -8.672
79 H TYR 11 H TYR 11 4.163 -1.977 -5.981
80 HA TYR 11 HA TYR 11 6.354 -1.765 -4.162
81 HB2 TYR 11 1HB TYR 11 5.993 0.629 -4.809
82 HB3 TYR 11 2HB TYR 11 4.264 0.457 -4.587
83 HD1 TYR 11 2HD TYR 11 7.432 0.022 -2.613
84 HD2 TYR 11 1HD TYR 11 3.340 1.273 -2.621
85 HE1 TYR 11 2HE TYR 11 7.657 0.800 -0.203
86 HE2 TYR 11 1HE TYR 11 3.580 2.047 -0.211
87 HH TYR 11 HH TYR 11 6.416 2.611 1.226
88 H GLU 12 H GLU 12 5.770 -3.382 -2.795
89 HA GLU 12 HA GLU 12 2.957 -3.757 -2.293
90 HB2 GLU 12 1HB GLU 12 3.672 -5.866 -1.202
91 HB3 GLU 12 2HB GLU 12 4.317 -5.735 -2.826
92 HG2 GLU 12 1HG GLU 12 6.235 -4.479 -1.123
93 HG3 GLU 12 2HG GLU 12 5.754 -5.949 -0.300
94 HE2 GLU 12 HE GLU 12 7.291 -5.761 -3.924
95 H TYR 13 H TYR 13 1.941 -2.950 -0.507
96 HA TYR 13 HA TYR 13 3.631 -1.801 1.576
97 HB2 TYR 13 1HB TYR 13 1.888 -0.359 0.637
98 HB3 TYR 13 2HB TYR 13 0.719 -1.665 0.625
99 HD1 TYR 13 2HD TYR 13 2.401 0.858 2.716
100 HD2 TYR 13 1HD TYR 13 -0.527 -2.261 2.634
101 HE1 TYR 13 2HE TYR 13 1.491 1.644 4.956
102 HE2 TYR 13 1HE TYR 13 -1.427 -1.465 4.875
103 HH TYR 13 HH TYR 13 -0.247 -0.115 6.910
104 H ASP 14 H ASP 14 3.573 -2.439 3.733
105 HA ASP 14 HA ASP 14 2.108 -4.914 4.167
106 HB2 ASP 14 1HB ASP 14 4.786 -4.295 4.592
107 HB3 ASP 14 2HB ASP 14 4.110 -4.051 6.190
108 HD2 ASP 14 HD ASP 14 5.733 -6.881 5.482
109 HA PRO 15 HA PRO 15 -0.223 -2.261 6.869
110 HB2 PRO 15 1HB PRO 15 -2.289 -3.985 7.345
111 HB3 PRO 15 2HB PRO 15 -2.241 -2.904 5.966
112 HG2 PRO 15 1HG PRO 15 -1.778 -5.822 6.049
113 HG3 PRO 15 2HG PRO 15 -2.152 -4.809 4.669
114 HD2 PRO 15 1HD PRO 15 0.415 -5.885 5.362
115 HD3 PRO 15 2HD PRO 15 0.061 -4.779 4.050
116 H ALA 16 H ALA 16 0.735 -5.526 7.566
117 HA ALA 16 HA ALA 16 0.203 -5.338 10.339
118 HB1 ALA 16 1HB ALA 16 0.664 -7.371 8.651
119 HB2 ALA 16 2HB ALA 16 2.324 -7.157 9.257
120 HB3 ALA 16 3HB ALA 16 0.998 -7.498 10.395
121 H GLU 17 H GLU 17 2.531 -3.867 8.284
122 HA GLU 17 HA GLU 17 4.324 -3.533 10.558
123 HB2 GLU 17 1HB GLU 17 5.213 -4.560 8.377
124 HB3 GLU 17 2HB GLU 17 4.978 -2.991 7.634
125 HG2 GLU 17 1HG GLU 17 7.160 -2.692 8.334
126 HG3 GLU 17 2HG GLU 17 6.359 -2.164 9.800
127 HE2 GLU 17 HE GLU 17 7.840 -5.915 9.836
128 H GLY 18 H GLY 18 2.972 -1.781 7.670
129 HA2 GLY 18 1HA GLY 18 1.734 0.262 8.159
130 HA3 GLY 18 2HA GLY 18 2.984 0.680 9.314
131 H ASP 19 H ASP 19 4.069 2.430 8.498
132 HA ASP 19 HA ASP 19 5.750 2.110 6.340
133 HB2 ASP 19 1HB ASP 19 3.209 2.544 5.392
134 HB3 ASP 19 2HB ASP 19 3.753 4.201 5.563
135 HD2 ASP 19 HD ASP 19 5.206 1.537 3.068
136 HA PRO 20 HA PRO 20 6.971 5.598 8.775
137 HB2 PRO 20 1HB PRO 20 9.541 5.803 7.870
138 HB3 PRO 20 2HB PRO 20 9.064 4.719 9.161
139 HG2 PRO 20 1HG PRO 20 9.728 4.077 6.353
140 HG3 PRO 20 2HG PRO 20 9.667 3.006 7.739
141 HD2 PRO 20 1HD PRO 20 7.704 3.236 5.661
142 HD3 PRO 20 2HD PRO 20 7.590 2.251 7.106
143 H ASP 21 H ASP 21 7.493 5.456 5.322
144 HA ASP 21 HA ASP 21 8.170 7.931 4.729
145 HB2 ASP 21 1HB ASP 21 7.190 5.858 3.298
146 HB3 ASP 21 2HB ASP 21 5.759 6.868 3.266
147 HD2 ASP 21 HD ASP 21 7.339 9.492 1.694
148 H ASN 22 H ASN 22 4.801 6.780 5.480
149 HA ASN 22 HA ASN 22 4.071 9.580 5.834
150 HB2 ASN 22 1HB ASN 22 2.545 7.153 4.851
151 HB3 ASN 22 2HB ASN 22 1.648 8.418 5.667
152 HD21 ASN 22 1HD2 ASN 22 4.019 7.847 3.093
153 HD22 ASN 22 2HD2 ASN 22 3.503 9.109 2.025
154 H GLY 23 H GLY 23 5.456 7.952 7.841
155 HA2 GLY 23 1HA GLY 23 5.224 7.006 9.902
156 HA3 GLY 23 2HA GLY 23 4.297 8.468 10.169
157 H VAL 24 H VAL 24 4.162 4.979 9.581
158 HA VAL 24 HA VAL 24 1.330 5.065 10.328
159 HB VAL 24 HB VAL 24 2.634 3.651 8.019
160 HG11 VAL 24 1HG1 VAL 24 1.429 1.968 9.443
161 HG12 VAL 24 2HG1 VAL 24 -0.065 2.899 9.182
162 HG13 VAL 24 3HG1 VAL 24 0.771 2.151 7.800
163 HG21 VAL 24 3HG2 VAL 24 1.516 5.891 7.744
164 HG22 VAL 24 1HG2 VAL 24 0.844 4.590 6.732
165 HG23 VAL 24 2HG2 VAL 24 -0.018 5.112 8.199
166 H LYS 25 H LYS 25 0.631 3.297 11.634
167 HA LYS 25 HA LYS 25 2.861 1.999 12.980
168 HB2 LYS 25 1HB LYS 25 -0.025 2.520 13.686
169 HB3 LYS 25 2HB LYS 25 0.922 1.342 14.572
170 HG2 LYS 25 1HG LYS 25 1.606 3.114 15.838
171 HG3 LYS 25 2HG LYS 25 2.678 3.477 14.500
172 HD2 LYS 25 1HD LYS 25 1.590 5.524 14.686
173 HD3 LYS 25 2HD LYS 25 0.538 4.742 13.523
174 HE2 LYS 25 1HE LYS 25 -0.169 4.141 16.344
175 HE3 LYS 25 2HE LYS 25 -0.282 5.844 15.945
176 HZ1 LYS 25 2HZ LYS 25 -1.416 4.245 13.874
177 HZ3 LYS 25 1HZ LYS 25 -2.119 5.434 14.736
178 HA PRO 26 HA PRO 26 1.994 -1.886 11.315
179 HB2 PRO 26 1HB PRO 26 2.592 -3.603 13.356
180 HB3 PRO 26 2HB PRO 26 3.812 -2.849 12.349
181 HG2 PRO 26 1HG PRO 26 3.049 -2.205 15.131
182 HG3 PRO 26 2HG PRO 26 4.511 -1.774 14.266
183 HD2 PRO 26 1HD PRO 26 2.284 -0.058 14.835
184 HD3 PRO 26 2HD PRO 26 3.694 0.338 13.871
185 H GLY 27 H GLY 27 0.456 -3.459 10.890
186 HA2 GLY 27 1HA GLY 27 -1.389 -4.730 11.472
187 HA3 GLY 27 2HA GLY 27 -1.599 -3.795 12.939
188 H THR 28 H THR 28 -1.110 -1.248 11.140
189 HA THR 28 HA THR 28 -3.810 -0.581 10.836
190 HB THR 28 HB THR 28 -1.246 0.602 9.646
191 HG1 THR 28 1HG THR 28 -1.092 1.165 11.779
192 HG21 THR 28 3HG2 THR 28 -3.947 1.317 9.101
193 HG22 THR 28 1HG2 THR 28 -3.398 2.460 10.350
194 HG23 THR 28 2HG2 THR 28 -2.505 2.321 8.817
195 H SER 29 H SER 29 -5.116 -0.226 8.976
196 HA SER 29 HA SER 29 -4.375 -2.070 6.852
197 HB2 SER 29 1HB SER 29 -6.442 -2.854 7.462
198 HB3 SER 29 2HB SER 29 -6.928 -1.331 8.179
199 HG SER 29 HG SER 29 -7.715 -2.308 5.835
200 H PHE 30 H PHE 30 -4.748 -1.416 4.597
201 HA PHE 30 HA PHE 30 -3.917 1.185 4.067
202 HB2 PHE 30 1HB PHE 30 -3.983 -1.133 2.713
203 HB3 PHE 30 2HB PHE 30 -5.556 -0.574 2.178
204 HD1 PHE 30 2HD PHE 30 -1.943 0.052 2.027
205 HD2 PHE 30 1HD PHE 30 -5.761 1.246 0.609
206 HE1 PHE 30 2HE PHE 30 -0.849 1.391 0.207
207 HE2 PHE 30 1HE PHE 30 -4.667 2.584 -1.211
208 HZ PHE 30 HZ PHE 30 -2.224 2.641 -1.390
209 H ASP 31 H ASP 31 -7.165 -0.289 4.330
210 HA ASP 31 HA ASP 31 -8.555 1.714 3.036
211 HB2 ASP 31 1HB ASP 31 -9.124 -0.548 4.831
212 HB3 ASP 31 2HB ASP 31 -10.218 0.789 5.127
213 HD2 ASP 31 HD ASP 31 -10.502 -1.968 3.325
214 H ASP 32 H ASP 32 -6.781 1.689 6.004
215 HA ASP 32 HA ASP 32 -8.405 3.774 7.172
216 HB2 ASP 32 1HB ASP 32 -6.894 1.663 8.235
217 HB3 ASP 32 2HB ASP 32 -5.876 3.059 8.531
218 HD2 ASP 32 HD ASP 32 -8.218 4.497 10.750
219 H LEU 33 H LEU 33 -5.376 3.122 5.451
220 HA LEU 33 HA LEU 33 -3.761 5.182 6.170
221 HB2 LEU 33 1HB LEU 33 -4.248 3.789 3.557
222 HB3 LEU 33 2HB LEU 33 -3.088 5.099 3.665
223 HG LEU 33 HG LEU 33 -3.008 2.522 5.259
224 HD11 LEU 33 1HD1 LEU 33 -1.037 3.397 3.151
225 HD12 LEU 33 2HD1 LEU 33 -1.277 1.784 3.865
226 HD13 LEU 33 3HD1 LEU 33 -2.493 2.454 2.752
227 HD21 LEU 33 3HD2 LEU 33 -0.529 3.920 5.320
228 HD22 LEU 33 1HD2 LEU 33 -1.813 5.051 5.809
229 HD23 LEU 33 2HD2 LEU 33 -1.613 3.507 6.670
230 HA PRO 34 HA PRO 34 -5.710 8.825 4.928
231 HB2 PRO 34 1HB PRO 34 -3.585 10.495 4.526
232 HB3 PRO 34 2HB PRO 34 -4.222 10.120 6.115
233 HG2 PRO 34 1HG PRO 34 -1.751 9.131 4.828
234 HG3 PRO 34 2HG PRO 34 -2.186 9.117 6.525
235 HD2 PRO 34 1HD PRO 34 -2.243 6.888 4.720
236 HD3 PRO 34 2HD PRO 34 -2.787 6.902 6.386
237 H ALA 35 H ALA 35 -6.690 9.767 3.206
238 HA ALA 35 HA ALA 35 -6.350 8.628 0.749
239 HB1 ALA 35 1HB ALA 35 -7.239 11.187 0.179
240 HB2 ALA 35 2HB ALA 35 -8.266 9.831 0.704
241 HB3 ALA 35 3HB ALA 35 -7.662 11.004 1.899
242 H ASP 36 H ASP 36 -4.661 11.448 2.205
243 HA ASP 36 HA ASP 36 -3.433 12.337 -0.081
244 HB2 ASP 36 1HB ASP 36 -1.574 13.023 1.693
245 HB3 ASP 36 2HB ASP 36 -3.151 13.786 1.717
246 HD2 ASP 36 HD ASP 36 -4.335 13.511 3.537
247 H TRP 37 H TRP 37 -2.830 9.560 2.047
248 HA TRP 37 HA TRP 37 -0.162 9.058 1.546
249 HB2 TRP 37 1HB TRP 37 -1.606 7.934 3.225
250 HB3 TRP 37 2HB TRP 37 -2.375 7.036 1.932
251 HD1 TRP 37 HD TRP 37 0.616 6.885 4.193
252 HE1 TRP 37 1HE TRP 37 2.199 4.843 3.657
253 HE3 TRP 37 3HE TRP 37 -1.538 5.709 -0.260
254 HZ2 TRP 37 2HZ TRP 37 2.369 3.006 1.479
255 HZ3 TRP 37 3HZ TRP 37 -0.604 3.777 -1.528
256 HH2 TRP 37 HH TRP 37 1.282 2.444 -0.726
257 H VAL 38 H VAL 38 0.959 8.017 -0.140
258 HA VAL 38 HA VAL 38 -0.494 6.783 -2.276
259 HB VAL 38 HB VAL 38 0.382 8.312 -4.011
260 HG11 VAL 38 1HG1 VAL 38 -1.363 9.925 -3.826
261 HG12 VAL 38 2HG1 VAL 38 -1.957 8.441 -3.045
262 HG13 VAL 38 3HG1 VAL 38 -1.385 9.802 -2.051
263 HG21 VAL 38 3HG2 VAL 38 2.044 9.303 -2.116
264 HG22 VAL 38 1HG2 VAL 38 1.603 10.179 -3.602
265 HG23 VAL 38 2HG2 VAL 38 0.757 10.532 -2.076
266 H CYS 39 H CYS 39 0.917 5.554 -3.662
267 HA CYS 39 HA CYS 39 2.930 4.267 -2.521
268 HB2 CYS 39 1HB CYS 39 2.176 3.469 -4.579
269 HB3 CYS 39 2HB CYS 39 2.477 4.988 -5.400
270 HA PRO 40 HA PRO 40 5.795 7.635 -2.074
271 HB2 PRO 40 1HB PRO 40 7.266 6.534 -0.051
272 HB3 PRO 40 2HB PRO 40 5.835 7.508 0.224
273 HG2 PRO 40 1HG PRO 40 6.150 4.576 0.434
274 HG3 PRO 40 2HG PRO 40 4.889 5.595 1.100
275 HD2 PRO 40 1HD PRO 40 4.693 3.912 -1.215
276 HD3 PRO 40 2HD PRO 40 3.472 5.018 -0.617
277 H VAL 41 H VAL 41 5.983 5.927 -4.253
278 HA VAL 41 HA VAL 41 8.900 5.662 -4.291
279 HB VAL 41 HB VAL 41 7.060 3.645 -5.563
280 HG11 VAL 41 1HG1 VAL 41 8.934 2.507 -6.139
281 HG12 VAL 41 2HG1 VAL 41 9.696 4.108 -5.988
282 HG13 VAL 41 3HG1 VAL 41 9.793 2.946 -4.643
283 HG21 VAL 41 3HG2 VAL 41 7.497 2.152 -3.645
284 HG22 VAL 41 1HG2 VAL 41 8.317 3.488 -2.802
285 HG23 VAL 41 2HG2 VAL 41 6.579 3.600 -3.169
286 H CYS 42 H CYS 42 5.843 5.580 -6.254
287 HA CYS 42 HA CYS 42 7.324 7.066 -8.298
288 HB2 CYS 42 1HB CYS 42 6.042 6.090 -9.963
289 HB3 CYS 42 2HB CYS 42 6.390 4.768 -8.866
290 H GLY 43 H GLY 43 4.344 6.757 -6.313
291 HA2 GLY 43 1HA GLY 43 3.515 8.892 -5.439
292 HA3 GLY 43 2HA GLY 43 3.644 9.533 -7.064
293 H ALA 44 H ALA 44 2.703 6.179 -6.910
294 HA ALA 44 HA ALA 44 0.275 6.642 -8.195
295 HB1 ALA 44 1HB ALA 44 1.748 4.533 -8.102
296 HB2 ALA 44 2HB ALA 44 0.960 4.192 -6.543
297 HB3 ALA 44 3HB ALA 44 -0.013 4.289 -8.030
298 HA PRO 45 HA PRO 45 -2.271 7.672 -4.840
299 HB2 PRO 45 1HB PRO 45 -4.713 7.445 -6.046
300 HB3 PRO 45 2HB PRO 45 -3.695 8.862 -6.204
301 HG2 PRO 45 1HG PRO 45 -4.208 6.719 -8.174
302 HG3 PRO 45 2HG PRO 45 -3.557 8.324 -8.442
303 HD2 PRO 45 1HD PRO 45 -2.084 5.865 -8.377
304 HD3 PRO 45 2HD PRO 45 -1.421 7.480 -8.529
305 H LYS 46 H LYS 46 -3.316 6.809 -3.081
306 HA LYS 46 HA LYS 46 -3.092 4.064 -2.812
307 HB2 LYS 46 1HB LYS 46 -3.931 4.372 -0.690
308 HB3 LYS 46 2HB LYS 46 -3.333 5.977 -1.060
309 HG2 LYS 46 1HG LYS 46 -5.417 6.735 -0.557
310 HG3 LYS 46 2HG LYS 46 -5.931 6.052 -2.086
311 HD2 LYS 46 1HD LYS 46 -7.212 4.523 -1.012
312 HD3 LYS 46 2HD LYS 46 -5.809 3.902 -0.166
313 HE2 LYS 46 1HE LYS 46 -6.250 6.234 1.239
314 HE3 LYS 46 2HE LYS 46 -7.890 5.826 0.772
315 HZ1 LYS 46 2HZ LYS 46 -6.040 4.257 2.439
316 HZ3 LYS 46 1HZ LYS 46 -7.216 3.474 1.628
317 H SER 47 H SER 47 -5.387 5.940 -4.581
318 HA SER 47 HA SER 47 -7.522 4.092 -4.293
319 HB2 SER 47 1HB SER 47 -7.249 6.724 -5.204
320 HB3 SER 47 2HB SER 47 -7.590 5.834 -6.675
321 HG SER 47 HG SER 47 -9.200 5.162 -4.446
322 H GLU 48 H GLU 48 -4.622 4.374 -6.227
323 HA GLU 48 HA GLU 48 -5.695 2.564 -8.217
324 HB2 GLU 48 1HB GLU 48 -3.151 4.220 -8.052
325 HB3 GLU 48 2HB GLU 48 -3.364 2.986 -9.278
326 HG2 GLU 48 1HG GLU 48 -5.423 4.107 -10.092
327 HG3 GLU 48 2HG GLU 48 -5.298 5.307 -8.821
328 HE2 GLU 48 HE GLU 48 -4.155 6.364 -11.998
329 H PHE 49 H PHE 49 -5.094 1.845 -5.322
330 HA PHE 49 HA PHE 49 -2.919 -0.062 -5.767
331 HB2 PHE 49 1HB PHE 49 -4.129 1.493 -3.494
332 HB3 PHE 49 2HB PHE 49 -3.679 -0.149 -3.078
333 HD1 PHE 49 2HD PHE 49 -2.243 2.837 -4.803
334 HD2 PHE 49 1HD PHE 49 -1.535 -0.528 -2.316
335 HE1 PHE 49 2HE PHE 49 0.138 3.568 -4.492
336 HE2 PHE 49 1HE PHE 49 0.846 0.204 -2.005
337 HZ PHE 49 HZ PHE 49 1.654 2.243 -3.097
338 H GLU 50 H GLU 50 -3.279 -2.264 -5.725
339 HA GLU 50 HA GLU 50 -5.994 -3.061 -5.018
340 HB2 GLU 50 1HB GLU 50 -5.916 -3.235 -7.398
341 HB3 GLU 50 2HB GLU 50 -4.291 -3.891 -7.389
342 HG2 GLU 50 1HG GLU 50 -5.000 -6.033 -6.743
343 HG3 GLU 50 2HG GLU 50 -6.434 -5.435 -5.934
344 HE2 GLU 50 HE GLU 50 -7.961 -4.487 -7.318
345 H ALA 51 H ALA 51 -6.215 -5.137 -3.975
346 HA ALA 51 HA ALA 51 -3.863 -5.861 -2.488
347 HB1 ALA 51 1HB ALA 51 -6.613 -7.155 -2.463
348 HB2 ALA 51 2HB ALA 51 -5.383 -7.171 -1.176
349 HB3 ALA 51 3HB ALA 51 -6.233 -5.659 -1.576
350 H ALA 52 H ALA 52 -2.382 -7.311 -3.184
351 HA ALA 52 HA ALA 52 -2.914 -8.889 -5.497
352 HB1 ALA 52 1HB ALA 52 -0.559 -9.282 -3.653
353 HB2 ALA 52 2HB ALA 52 -0.629 -9.357 -5.430
354 HB3 ALA 52 3HB ALA 52 -0.699 -7.783 -4.603
Start of MODEL 4
1 H1 MET 1 H MET 1 -3.932 -13.123 2.930
2 HA MET 1 HA MET 1 -1.582 -13.590 4.543
3 HB2 MET 1 1HB MET 1 -1.725 -13.554 1.511
4 HB3 MET 1 2HB MET 1 -0.308 -12.858 2.272
5 HG2 MET 1 1HG MET 1 -0.940 -15.423 3.520
6 HG3 MET 1 2HG MET 1 -0.826 -15.620 1.783
7 HE1 MET 1 3HE MET 1 2.289 -15.955 4.576
8 HE2 MET 1 1HE MET 1 0.628 -16.541 4.319
9 HE3 MET 1 2HE MET 1 1.943 -17.101 3.258
10 H LYS 2 H LYS 2 -3.318 -11.499 2.158
11 HA LYS 2 HA LYS 2 -3.856 -9.331 2.386
12 HB2 LYS 2 1HB LYS 2 -3.274 -9.784 4.945
13 HB3 LYS 2 2HB LYS 2 -1.886 -8.785 4.569
14 HG2 LYS 2 1HG LYS 2 -3.474 -7.177 5.219
15 HG3 LYS 2 2HG LYS 2 -3.630 -7.150 3.474
16 HD2 LYS 2 1HD LYS 2 -5.354 -9.223 4.607
17 HD3 LYS 2 2HD LYS 2 -5.677 -7.681 5.376
18 HE2 LYS 2 1HE LYS 2 -6.684 -6.851 3.509
19 HE3 LYS 2 2HE LYS 2 -5.355 -7.346 2.480
20 HZ1 LYS 2 2HZ LYS 2 -6.935 -8.781 1.713
21 HZ3 LYS 2 1HZ LYS 2 -7.810 -8.786 3.087
22 H LYS 3 H LYS 3 -1.716 -7.282 3.108
23 HA LYS 3 HA LYS 3 -0.129 -6.151 2.073
24 HB2 LYS 3 1HB LYS 3 0.765 -8.968 1.702
25 HB3 LYS 3 2HB LYS 3 1.549 -7.756 0.708
26 HG2 LYS 3 1HG LYS 3 2.890 -7.715 2.633
27 HG3 LYS 3 2HG LYS 3 1.782 -6.397 2.956
28 HD2 LYS 3 1HD LYS 3 1.555 -7.524 4.964
29 HD3 LYS 3 2HD LYS 3 0.313 -8.366 4.058
30 HE2 LYS 3 1HE LYS 3 1.686 -10.273 3.687
31 HE3 LYS 3 2HE LYS 3 3.168 -9.387 3.989
32 HZ1 LYS 3 2HZ LYS 3 3.011 -10.105 6.099
33 HZ3 LYS 3 1HZ LYS 3 1.530 -10.742 5.868
34 H TYR 4 H TYR 4 -0.642 -4.793 0.452
35 HA TYR 4 HA TYR 4 -1.823 -5.977 -1.956
36 HB2 TYR 4 1HB TYR 4 -1.686 -3.010 -1.407
37 HB3 TYR 4 2HB TYR 4 -3.042 -3.941 -2.012
38 HD1 TYR 4 1HD TYR 4 -1.278 -2.802 1.014
39 HD2 TYR 4 2HD TYR 4 -4.641 -4.977 -0.492
40 HE1 TYR 4 1HE TYR 4 -2.354 -2.748 3.317
41 HE2 TYR 4 2HE TYR 4 -5.705 -4.916 1.816
42 HH TYR 4 HH TYR 4 -5.628 -3.662 3.798
43 H VAL 5 H VAL 5 -1.425 -4.018 -3.826
44 HA VAL 5 HA VAL 5 1.391 -3.352 -3.856
45 HB VAL 5 HB VAL 5 0.998 -5.743 -4.738
46 HG11 VAL 5 1HG1 VAL 5 -0.172 -4.095 -6.996
47 HG12 VAL 5 2HG1 VAL 5 0.445 -5.751 -7.212
48 HG13 VAL 5 3HG1 VAL 5 -0.924 -5.447 -6.115
49 HG21 VAL 5 3HG2 VAL 5 2.377 -4.348 -6.915
50 HG22 VAL 5 1HG2 VAL 5 2.869 -3.781 -5.301
51 HG23 VAL 5 2HG2 VAL 5 3.002 -5.506 -5.717
52 H CYS 6 H CYS 6 1.902 -1.819 -5.619
53 HA CYS 6 HA CYS 6 -0.367 -0.117 -6.066
54 HB2 CYS 6 1HB CYS 6 1.492 1.104 -5.455
55 HB3 CYS 6 2HB CYS 6 2.595 0.126 -6.404
56 H THR 7 H THR 7 -1.293 0.337 -8.123
57 HA THR 7 HA THR 7 -0.654 -1.650 -10.171
58 HB THR 7 HB THR 7 -2.888 -0.981 -11.051
59 HG1 THR 7 1HG THR 7 -3.954 0.656 -9.493
60 HG21 THR 7 3HG2 THR 7 -3.571 -0.961 -8.157
61 HG22 THR 7 1HG2 THR 7 -4.080 -2.099 -9.428
62 HG23 THR 7 2HG2 THR 7 -2.503 -2.304 -8.628
63 H VAL 8 H VAL 8 1.352 0.294 -9.789
64 HA VAL 8 HA VAL 8 1.225 1.524 -12.416
65 HB VAL 8 HB VAL 8 2.106 3.196 -10.087
66 HG11 VAL 8 1HG1 VAL 8 2.413 4.766 -11.646
67 HG12 VAL 8 2HG1 VAL 8 2.094 3.520 -12.876
68 HG13 VAL 8 3HG1 VAL 8 0.765 4.543 -12.280
69 HG21 VAL 8 3HG2 VAL 8 -0.104 4.187 -9.897
70 HG22 VAL 8 1HG2 VAL 8 -0.737 3.093 -11.151
71 HG23 VAL 8 2HG2 VAL 8 -0.203 2.438 -9.584
72 H CYS 9 H CYS 9 3.046 0.801 -9.388
73 HA CYS 9 HA CYS 9 5.363 0.298 -11.106
74 HB2 CYS 9 1HB CYS 9 6.855 1.252 -9.572
75 HB3 CYS 9 2HB CYS 9 5.570 2.425 -9.787
76 H GLY 10 H GLY 10 3.765 -0.231 -7.885
77 HA2 GLY 10 1HA GLY 10 3.261 -2.720 -7.637
78 HA3 GLY 10 2HA GLY 10 4.998 -2.909 -7.781
79 H TYR 11 H TYR 11 6.399 -2.255 -6.070
80 HA TYR 11 HA TYR 11 6.815 -2.288 -3.852
81 HB2 TYR 11 1HB TYR 11 6.961 0.090 -4.478
82 HB3 TYR 11 2HB TYR 11 5.216 0.247 -4.521
83 HD1 TYR 11 2HD TYR 11 8.096 -0.268 -2.210
84 HD2 TYR 11 1HD TYR 11 4.007 0.929 -2.603
85 HE1 TYR 11 2HE TYR 11 8.105 0.578 0.188
86 HE2 TYR 11 1HE TYR 11 4.030 1.770 -0.204
87 HH TYR 11 HH TYR 11 6.655 2.468 1.434
88 H GLU 12 H GLU 12 5.667 -4.054 -2.960
89 HA GLU 12 HA GLU 12 2.933 -3.848 -2.374
90 HB2 GLU 12 1HB GLU 12 5.134 -5.798 -1.914
91 HB3 GLU 12 2HB GLU 12 3.844 -5.863 -0.729
92 HG2 GLU 12 1HG GLU 12 2.530 -6.972 -2.203
93 HG3 GLU 12 2HG GLU 12 2.593 -5.607 -3.300
94 HE2 GLU 12 HE GLU 12 2.530 -7.787 -4.583
95 H TYR 13 H TYR 13 1.879 -3.016 -0.599
96 HA TYR 13 HA TYR 13 3.519 -1.696 1.384
97 HB2 TYR 13 1HB TYR 13 1.563 -0.547 0.413
98 HB3 TYR 13 2HB TYR 13 0.547 -1.955 0.650
99 HD1 TYR 13 2HD TYR 13 2.110 0.945 2.292
100 HD2 TYR 13 1HD TYR 13 -0.443 -2.446 2.825
101 HE1 TYR 13 2HE TYR 13 1.314 1.885 4.516
102 HE2 TYR 13 1HE TYR 13 -1.230 -1.495 5.048
103 HH TYR 13 HH TYR 13 -0.516 -0.004 6.718
104 H ASP 14 H ASP 14 3.458 -2.089 3.640
105 HA ASP 14 HA ASP 14 2.403 -4.731 4.267
106 HB2 ASP 14 1HB ASP 14 4.881 -3.260 4.979
107 HB3 ASP 14 2HB ASP 14 4.105 -4.011 6.359
108 HD2 ASP 14 HD ASP 14 4.183 -6.121 6.515
109 HA PRO 15 HA PRO 15 -0.223 -2.166 6.798
110 HB2 PRO 15 1HB PRO 15 -2.143 -4.045 7.298
111 HB3 PRO 15 2HB PRO 15 -2.164 -3.005 5.887
112 HG2 PRO 15 1HG PRO 15 -1.457 -5.870 6.067
113 HG3 PRO 15 2HG PRO 15 -1.893 -4.934 4.652
114 HD2 PRO 15 1HD PRO 15 0.744 -5.766 5.413
115 HD3 PRO 15 2HD PRO 15 0.320 -4.733 4.063
116 H ALA 16 H ALA 16 1.011 -5.308 7.607
117 HA ALA 16 HA ALA 16 0.440 -5.017 10.383
118 HB1 ALA 16 1HB ALA 16 1.436 -7.016 8.557
119 HB2 ALA 16 2HB ALA 16 2.544 -6.884 9.944
120 HB3 ALA 16 3HB ALA 16 0.818 -7.224 10.213
121 H GLU 17 H GLU 17 2.578 -3.437 8.294
122 HA GLU 17 HA GLU 17 4.503 -3.083 10.454
123 HB2 GLU 17 1HB GLU 17 5.263 -3.968 8.146
124 HB3 GLU 17 2HB GLU 17 4.938 -2.359 7.532
125 HG2 GLU 17 1HG GLU 17 7.228 -2.242 8.097
126 HG3 GLU 17 2HG GLU 17 6.453 -1.511 9.488
127 HE2 GLU 17 HE GLU 17 7.969 -2.097 10.847
128 H GLY 18 H GLY 18 2.931 -1.281 7.708
129 HA2 GLY 18 1HA GLY 18 1.588 0.663 8.438
130 HA3 GLY 18 2HA GLY 18 2.953 1.121 9.437
131 H ASP 19 H ASP 19 3.798 2.961 8.525
132 HA ASP 19 HA ASP 19 5.190 2.745 6.136
133 HB2 ASP 19 1HB ASP 19 2.557 3.115 5.558
134 HB3 ASP 19 2HB ASP 19 3.010 4.790 5.804
135 HD2 ASP 19 HD ASP 19 3.068 2.544 3.082
136 HA PRO 20 HA PRO 20 6.590 6.118 8.692
137 HB2 PRO 20 1HB PRO 20 9.198 6.096 7.875
138 HB3 PRO 20 2HB PRO 20 8.595 5.100 9.186
139 HG2 PRO 20 1HG PRO 20 9.303 4.304 6.428
140 HG3 PRO 20 2HG PRO 20 9.114 3.295 7.848
141 HD2 PRO 20 1HD PRO 20 7.245 3.592 5.692
142 HD3 PRO 20 2HD PRO 20 7.008 2.674 7.166
143 H ASP 21 H ASP 21 7.227 5.808 5.269
144 HA ASP 21 HA ASP 21 8.117 8.175 4.588
145 HB2 ASP 21 1HB ASP 21 7.059 6.192 3.177
146 HB3 ASP 21 2HB ASP 21 5.614 7.183 3.191
147 HD2 ASP 21 HD ASP 21 8.517 6.863 1.280
148 H ASN 22 H ASN 22 4.676 7.394 5.443
149 HA ASN 22 HA ASN 22 4.109 10.241 5.418
150 HB2 ASN 22 1HB ASN 22 2.380 7.736 5.315
151 HB3 ASN 22 2HB ASN 22 1.668 9.272 5.767
152 HD21 ASN 22 1HD2 ASN 22 3.764 7.781 3.313
153 HD22 ASN 22 2HD2 ASN 22 3.178 8.672 1.948
154 H GLY 23 H GLY 23 4.358 7.295 7.404
155 HA2 GLY 23 1HA GLY 23 4.875 7.459 9.707
156 HA3 GLY 23 2HA GLY 23 3.913 8.919 9.821
157 H VAL 24 H VAL 24 3.833 5.363 9.588
158 HA VAL 24 HA VAL 24 1.111 5.465 10.654
159 HB VAL 24 HB VAL 24 2.097 3.888 8.281
160 HG11 VAL 24 1HG1 VAL 24 0.976 2.301 9.743
161 HG12 VAL 24 2HG1 VAL 24 -0.409 3.405 9.927
162 HG13 VAL 24 3HG1 VAL 24 -0.062 2.669 8.344
163 HG21 VAL 24 3HG2 VAL 24 0.117 6.067 8.755
164 HG22 VAL 24 1HG2 VAL 24 1.186 5.768 7.363
165 HG23 VAL 24 2HG2 VAL 24 -0.309 4.821 7.557
166 H LYS 25 H LYS 25 0.526 3.421 11.808
167 HA LYS 25 HA LYS 25 2.941 2.326 13.040
168 HB2 LYS 25 1HB LYS 25 1.651 1.919 14.972
169 HB3 LYS 25 2HB LYS 25 1.197 3.522 14.428
170 HG2 LYS 25 1HG LYS 25 -0.608 1.926 13.041
171 HG3 LYS 25 2HG LYS 25 -0.425 1.035 14.538
172 HD2 LYS 25 1HD LYS 25 -0.828 4.026 14.690
173 HD3 LYS 25 2HD LYS 25 -2.212 3.018 14.315
174 HE2 LYS 25 1HE LYS 25 -2.425 2.449 16.499
175 HE3 LYS 25 2HE LYS 25 -0.807 1.775 16.505
176 HZ1 LYS 25 2HZ LYS 25 -0.805 4.651 16.586
177 HZ3 LYS 25 1HZ LYS 25 -0.020 3.600 17.551
178 HA PRO 26 HA PRO 26 2.154 -1.593 11.415
179 HB2 PRO 26 1HB PRO 26 3.015 -3.283 13.382
180 HB3 PRO 26 2HB PRO 26 4.103 -2.457 12.284
181 HG2 PRO 26 1HG PRO 26 3.541 -1.870 15.126
182 HG3 PRO 26 2HG PRO 26 4.900 -1.355 14.146
183 HD2 PRO 26 1HD PRO 26 2.637 0.233 14.914
184 HD3 PRO 26 2HD PRO 26 3.937 0.711 13.840
185 H GLY 27 H GLY 27 0.669 -3.239 11.100
186 HA2 GLY 27 1HA GLY 27 -1.060 -4.602 11.792
187 HA3 GLY 27 2HA GLY 27 -1.166 -3.735 13.311
188 H THR 28 H THR 28 -0.863 -1.536 10.689
189 HA THR 28 HA THR 28 -3.695 -0.883 10.923
190 HB THR 28 HB THR 28 -1.357 0.599 9.609
191 HG1 THR 28 1HG THR 28 -2.739 0.928 12.173
192 HG21 THR 28 3HG2 THR 28 -4.240 1.274 10.261
193 HG22 THR 28 1HG2 THR 28 -3.002 2.544 10.414
194 HG23 THR 28 2HG2 THR 28 -3.273 1.749 8.844
195 H SER 29 H SER 29 -5.011 -0.407 9.036
196 HA SER 29 HA SER 29 -4.266 -2.222 6.889
197 HB2 SER 29 1HB SER 29 -6.351 -2.995 7.399
198 HB3 SER 29 2HB SER 29 -6.799 -1.525 8.240
199 HG SER 29 HG SER 29 -6.612 -1.582 5.365
200 H PHE 30 H PHE 30 -4.472 -1.529 4.659
201 HA PHE 30 HA PHE 30 -3.548 0.939 4.060
202 HB2 PHE 30 1HB PHE 30 -3.993 -1.236 2.645
203 HB3 PHE 30 2HB PHE 30 -5.615 -0.618 2.408
204 HD1 PHE 30 2HD PHE 30 -6.012 1.330 1.000
205 HD2 PHE 30 1HD PHE 30 -2.089 -0.188 1.558
206 HE1 PHE 30 2HE PHE 30 -5.212 2.676 -0.962
207 HE2 PHE 30 1HE PHE 30 -1.289 1.157 -0.404
208 HZ PHE 30 HZ PHE 30 -2.861 2.573 -1.641
209 H ASP 31 H ASP 31 -7.033 -0.099 3.983
210 HA ASP 31 HA ASP 31 -8.161 2.150 3.114
211 HB2 ASP 31 1HB ASP 31 -9.585 0.312 3.615
212 HB3 ASP 31 2HB ASP 31 -8.988 0.174 5.257
213 HD2 ASP 31 HD ASP 31 -10.622 3.381 4.155
214 H ASP 32 H ASP 32 -6.706 1.485 6.315
215 HA ASP 32 HA ASP 32 -7.809 3.634 7.674
216 HB2 ASP 32 1HB ASP 32 -6.472 1.589 8.559
217 HB3 ASP 32 2HB ASP 32 -5.026 2.485 8.139
218 HD2 ASP 32 HD ASP 32 -7.261 3.902 11.161
219 H LEU 33 H LEU 33 -4.800 3.172 5.720
220 HA LEU 33 HA LEU 33 -3.371 5.375 6.228
221 HB2 LEU 33 1HB LEU 33 -3.989 4.183 3.522
222 HB3 LEU 33 2HB LEU 33 -2.691 5.318 3.837
223 HG LEU 33 HG LEU 33 -2.956 2.547 5.038
224 HD11 LEU 33 1HD1 LEU 33 -1.940 1.779 3.225
225 HD12 LEU 33 2HD1 LEU 33 -1.964 3.410 2.512
226 HD13 LEU 33 3HD1 LEU 33 -0.578 2.892 3.502
227 HD21 LEU 33 3HD2 LEU 33 -0.412 3.232 5.556
228 HD22 LEU 33 1HD2 LEU 33 -1.172 4.838 5.658
229 HD23 LEU 33 2HD2 LEU 33 -1.753 3.512 6.693
230 HA PRO 34 HA PRO 34 -5.746 8.832 5.210
231 HB2 PRO 34 1HB PRO 34 -3.807 10.708 4.773
232 HB3 PRO 34 2HB PRO 34 -4.337 10.233 6.375
233 HG2 PRO 34 1HG PRO 34 -1.841 9.518 4.961
234 HG3 PRO 34 2HG PRO 34 -2.200 9.419 6.673
235 HD2 PRO 34 1HD PRO 34 -2.123 7.242 4.807
236 HD3 PRO 34 2HD PRO 34 -2.594 7.161 6.493
237 H ALA 35 H ALA 35 -5.937 10.765 3.565
238 HA ALA 35 HA ALA 35 -6.165 9.429 1.053
239 HB1 ALA 35 1HB ALA 35 -7.861 10.926 1.125
240 HB2 ALA 35 2HB ALA 35 -7.035 11.939 2.334
241 HB3 ALA 35 3HB ALA 35 -6.644 12.117 0.606
242 H ASP 36 H ASP 36 -4.346 12.376 2.175
243 HA ASP 36 HA ASP 36 -2.960 12.882 -0.042
244 HB2 ASP 36 1HB ASP 36 -1.230 13.871 1.393
245 HB3 ASP 36 2HB ASP 36 -2.812 14.174 2.084
246 HD2 ASP 36 HD ASP 36 -0.118 12.025 4.049
247 H TRP 37 H TRP 37 -2.677 10.111 2.126
248 HA TRP 37 HA TRP 37 -0.056 9.329 1.652
249 HB2 TRP 37 1HB TRP 37 -1.540 8.420 3.398
250 HB3 TRP 37 2HB TRP 37 -2.484 7.603 2.168
251 HD1 TRP 37 HD TRP 37 0.511 7.064 4.339
252 HE1 TRP 37 1HE TRP 37 1.795 4.826 3.785
253 HE3 TRP 37 3HE TRP 37 -1.867 6.173 -0.067
254 HZ2 TRP 37 2HZ TRP 37 1.674 2.976 1.616
255 HZ3 TRP 37 3HZ TRP 37 -1.225 4.129 -1.340
256 HH2 TRP 37 HH TRP 37 0.480 2.558 -0.565
257 H VAL 38 H VAL 38 0.921 8.087 0.008
258 HA VAL 38 HA VAL 38 -0.680 6.937 -2.063
259 HB VAL 38 HB VAL 38 0.460 8.316 -3.849
260 HG11 VAL 38 1HG1 VAL 38 -1.964 8.516 -2.979
261 HG12 VAL 38 2HG1 VAL 38 -1.402 10.000 -2.172
262 HG13 VAL 38 3HG1 VAL 38 -1.303 9.858 -3.944
263 HG21 VAL 38 3HG2 VAL 38 1.115 10.632 -3.176
264 HG22 VAL 38 1HG2 VAL 38 1.011 10.124 -1.473
265 HG23 VAL 38 2HG2 VAL 38 2.206 9.370 -2.556
266 H CYS 39 H CYS 39 0.668 5.666 -3.573
267 HA CYS 39 HA CYS 39 2.488 4.121 -2.398
268 HB2 CYS 39 1HB CYS 39 1.694 3.480 -4.504
269 HB3 CYS 39 2HB CYS 39 2.220 4.966 -5.270
270 HA PRO 40 HA PRO 40 5.678 7.156 -1.785
271 HB2 PRO 40 1HB PRO 40 6.964 5.857 0.247
272 HB3 PRO 40 2HB PRO 40 5.637 6.971 0.510
273 HG2 PRO 40 1HG PRO 40 5.635 4.018 0.650
274 HG3 PRO 40 2HG PRO 40 4.470 5.149 1.309
275 HD2 PRO 40 1HD PRO 40 4.164 3.552 -1.054
276 HD3 PRO 40 2HD PRO 40 3.050 4.767 -0.459
277 H VAL 41 H VAL 41 5.827 5.719 -4.055
278 HA VAL 41 HA VAL 41 8.675 5.135 -4.036
279 HB VAL 41 HB VAL 41 6.559 3.202 -5.003
280 HG11 VAL 41 1HG1 VAL 41 8.259 2.971 -6.581
281 HG12 VAL 41 2HG1 VAL 41 9.545 3.310 -5.397
282 HG13 VAL 41 3HG1 VAL 41 8.690 1.750 -5.359
283 HG21 VAL 41 3HG2 VAL 41 7.993 1.726 -3.325
284 HG22 VAL 41 1HG2 VAL 41 8.325 3.312 -2.588
285 HG23 VAL 41 2HG2 VAL 41 6.647 2.742 -2.755
286 H CYS 42 H CYS 42 5.681 5.024 -6.103
287 HA CYS 42 HA CYS 42 7.231 6.459 -8.126
288 HB2 CYS 42 1HB CYS 42 5.975 5.473 -9.781
289 HB3 CYS 42 2HB CYS 42 6.151 4.178 -8.613
290 H GLY 43 H GLY 43 4.612 6.578 -5.805
291 HA2 GLY 43 1HA GLY 43 3.758 8.668 -5.111
292 HA3 GLY 43 2HA GLY 43 3.932 9.286 -6.741
293 H ALA 44 H ALA 44 2.836 6.137 -7.113
294 HA ALA 44 HA ALA 44 0.420 6.773 -8.184
295 HB1 ALA 44 1HB ALA 44 1.313 4.623 -8.590
296 HB2 ALA 44 2HB ALA 44 1.495 4.272 -6.854
297 HB3 ALA 44 3HB ALA 44 -0.126 4.312 -7.589
298 HA PRO 45 HA PRO 45 -2.114 7.736 -4.804
299 HB2 PRO 45 1HB PRO 45 -4.570 7.571 -5.993
300 HB3 PRO 45 2HB PRO 45 -3.528 8.973 -6.135
301 HG2 PRO 45 1HG PRO 45 -4.094 6.874 -8.138
302 HG3 PRO 45 2HG PRO 45 -3.419 8.472 -8.384
303 HD2 PRO 45 1HD PRO 45 -1.987 5.987 -8.373
304 HD3 PRO 45 2HD PRO 45 -1.298 7.593 -8.503
305 H LYS 46 H LYS 46 -3.354 6.907 -3.107
306 HA LYS 46 HA LYS 46 -3.056 4.201 -2.724
307 HB2 LYS 46 1HB LYS 46 -4.283 4.496 -0.757
308 HB3 LYS 46 2HB LYS 46 -3.556 6.064 -1.043
309 HG2 LYS 46 1HG LYS 46 -5.653 6.909 -2.034
310 HG3 LYS 46 2HG LYS 46 -6.387 5.322 -1.917
311 HD2 LYS 46 1HD LYS 46 -5.278 6.523 0.613
312 HD3 LYS 46 2HD LYS 46 -6.754 7.218 -0.027
313 HE2 LYS 46 1HE LYS 46 -6.382 4.226 0.465
314 HE3 LYS 46 2HE LYS 46 -7.097 5.314 1.637
315 HZ1 LYS 46 2HZ LYS 46 -8.277 4.233 -0.740
316 HZ3 LYS 46 1HZ LYS 46 -8.470 5.848 -0.668
317 H SER 47 H SER 47 -5.311 5.920 -4.743
318 HA SER 47 HA SER 47 -7.313 3.927 -4.673
319 HB2 SER 47 1HB SER 47 -8.342 5.193 -6.487
320 HB3 SER 47 2HB SER 47 -7.746 6.313 -5.278
321 HG SER 47 HG SER 47 -6.477 7.197 -6.750
322 H GLU 48 H GLU 48 -4.176 4.108 -6.026
323 HA GLU 48 HA GLU 48 -4.904 2.329 -8.204
324 HB2 GLU 48 1HB GLU 48 -2.525 4.108 -7.645
325 HB3 GLU 48 2HB GLU 48 -2.336 2.747 -8.733
326 HG2 GLU 48 1HG GLU 48 -4.773 4.006 -9.505
327 HG3 GLU 48 2HG GLU 48 -3.643 5.313 -9.215
328 HE2 GLU 48 HE GLU 48 -3.040 5.820 -11.083
329 H PHE 49 H PHE 49 -4.990 1.453 -5.403
330 HA PHE 49 HA PHE 49 -2.837 -0.538 -5.529
331 HB2 PHE 49 1HB PHE 49 -3.706 1.415 -3.465
332 HB3 PHE 49 2HB PHE 49 -3.727 -0.221 -2.837
333 HD1 PHE 49 2HD PHE 49 -1.543 -1.624 -3.325
334 HD2 PHE 49 1HD PHE 49 -1.733 2.615 -3.363
335 HE1 PHE 49 2HE PHE 49 0.935 -1.509 -2.943
336 HE2 PHE 49 1HE PHE 49 0.745 2.730 -2.981
337 HZ PHE 49 HZ PHE 49 2.050 0.666 -2.775
338 H GLU 50 H GLU 50 -3.449 -2.673 -5.253
339 HA GLU 50 HA GLU 50 -6.059 -3.187 -4.163
340 HB2 GLU 50 1HB GLU 50 -6.803 -3.036 -6.390
341 HB3 GLU 50 2HB GLU 50 -5.312 -3.680 -7.047
342 HG2 GLU 50 1HG GLU 50 -5.899 -5.903 -6.600
343 HG3 GLU 50 2HG GLU 50 -6.919 -5.477 -5.240
344 HE2 GLU 50 HE GLU 50 -8.325 -6.857 -6.336
345 H ALA 51 H ALA 51 -6.239 -5.300 -3.260
346 HA ALA 51 HA ALA 51 -3.811 -6.481 -2.512
347 HB1 ALA 51 1HB ALA 51 -6.612 -7.669 -2.434
348 HB2 ALA 51 2HB ALA 51 -5.226 -8.113 -1.409
349 HB3 ALA 51 3HB ALA 51 -5.980 -6.510 -1.240
350 H ALA 52 H ALA 52 -2.480 -7.798 -3.643
351 HA ALA 52 HA ALA 52 -3.585 -9.825 -5.339
352 HB1 ALA 52 1HB ALA 52 -1.955 -7.552 -6.545
353 HB2 ALA 52 2HB ALA 52 -2.426 -9.048 -7.387
354 HB3 ALA 52 3HB ALA 52 -3.673 -7.892 -6.860
Start of MODEL 5
1 H1 MET 1 H MET 1 -6.197 -11.518 -0.263
2 HA MET 1 HA MET 1 -5.809 -12.390 2.440
3 HB2 MET 1 1HB MET 1 -4.005 -13.115 0.133
4 HB3 MET 1 2HB MET 1 -3.202 -12.602 1.604
5 HG2 MET 1 1HG MET 1 -4.441 -14.335 2.904
6 HG3 MET 1 2HG MET 1 -5.294 -14.829 1.455
7 HE1 MET 1 3HE MET 1 -4.264 -16.740 2.985
8 HE2 MET 1 1HE MET 1 -3.072 -17.757 2.141
9 HE3 MET 1 2HE MET 1 -2.542 -16.647 3.428
10 H LYS 2 H LYS 2 -3.725 -11.150 3.357
11 HA LYS 2 HA LYS 2 -4.202 -8.395 2.747
12 HB2 LYS 2 1HB LYS 2 -2.738 -9.953 4.824
13 HB3 LYS 2 2HB LYS 2 -2.183 -8.319 4.520
14 HG2 LYS 2 1HG LYS 2 -5.109 -9.019 5.040
15 HG3 LYS 2 2HG LYS 2 -3.998 -8.541 6.308
16 HD2 LYS 2 1HD LYS 2 -4.291 -6.352 5.799
17 HD3 LYS 2 2HD LYS 2 -3.764 -6.630 4.151
18 HE2 LYS 2 1HE LYS 2 -6.525 -7.591 4.731
19 HE3 LYS 2 2HE LYS 2 -6.321 -5.857 4.875
20 HZ1 LYS 2 2HZ LYS 2 -5.010 -6.425 2.565
21 HZ3 LYS 2 1HZ LYS 2 -6.544 -5.883 2.639
22 H LYS 3 H LYS 3 -1.703 -7.192 3.023
23 HA LYS 3 HA LYS 3 0.112 -6.614 1.904
24 HB2 LYS 3 1HB LYS 3 0.127 -9.492 0.946
25 HB3 LYS 3 2HB LYS 3 1.429 -8.348 0.692
26 HG2 LYS 3 1HG LYS 3 0.427 -8.664 3.511
27 HG3 LYS 3 2HG LYS 3 1.338 -10.002 2.839
28 HD2 LYS 3 1HD LYS 3 2.342 -7.123 2.743
29 HD3 LYS 3 2HD LYS 3 2.703 -8.202 4.076
30 HE2 LYS 3 1HE LYS 3 3.968 -9.690 2.694
31 HE3 LYS 3 2HE LYS 3 3.274 -9.055 1.216
32 HZ1 LYS 3 2HZ LYS 3 5.549 -8.108 2.633
33 HZ3 LYS 3 1HZ LYS 3 4.481 -6.893 2.445
34 H TYR 4 H TYR 4 -0.148 -5.104 0.358
35 HA TYR 4 HA TYR 4 -1.597 -5.933 -2.067
36 HB2 TYR 4 1HB TYR 4 -1.282 -3.041 -1.329
37 HB3 TYR 4 2HB TYR 4 -2.727 -3.874 -1.868
38 HD1 TYR 4 2HD TYR 4 -0.556 -3.319 1.111
39 HD2 TYR 4 1HD TYR 4 -4.398 -4.534 -0.326
40 HE1 TYR 4 2HE TYR 4 -1.456 -3.310 3.489
41 HE2 TYR 4 1HE TYR 4 -5.285 -4.521 2.056
42 HH TYR 4 HH TYR 4 -3.533 -3.111 4.624
43 H VAL 5 H VAL 5 -1.058 -3.815 -3.730
44 HA VAL 5 HA VAL 5 1.793 -3.340 -3.709
45 HB VAL 5 HB VAL 5 0.422 -4.950 -5.870
46 HG11 VAL 5 1HG1 VAL 5 1.969 -4.289 -7.334
47 HG12 VAL 5 2HG1 VAL 5 2.535 -3.093 -6.143
48 HG13 VAL 5 3HG1 VAL 5 3.278 -4.709 -6.203
49 HG21 VAL 5 3HG2 VAL 5 0.991 -6.437 -4.136
50 HG22 VAL 5 1HG2 VAL 5 2.342 -6.557 -5.289
51 HG23 VAL 5 2HG2 VAL 5 2.526 -5.600 -3.800
52 H CYS 6 H CYS 6 2.364 -1.503 -4.946
53 HA CYS 6 HA CYS 6 0.640 0.521 -5.102
54 HB2 CYS 6 1HB CYS 6 2.853 1.075 -5.447
55 HB3 CYS 6 2HB CYS 6 3.088 -0.139 -6.689
56 H THR 7 H THR 7 1.274 -1.989 -7.632
57 HA THR 7 HA THR 7 0.023 -2.723 -9.321
58 HB THR 7 HB THR 7 -2.217 -0.984 -8.164
59 HG1 THR 7 1HG THR 7 -1.487 -2.378 -6.511
60 HG21 THR 7 3HG2 THR 7 -3.310 -1.942 -9.963
61 HG22 THR 7 1HG2 THR 7 -2.034 -3.160 -10.204
62 HG23 THR 7 2HG2 THR 7 -3.279 -3.409 -8.955
63 H VAL 8 H VAL 8 1.693 -0.241 -9.394
64 HA VAL 8 HA VAL 8 0.626 0.699 -11.932
65 HB VAL 8 HB VAL 8 1.641 2.693 -9.931
66 HG11 VAL 8 1HG1 VAL 8 -0.470 3.514 -11.765
67 HG12 VAL 8 2HG1 VAL 8 1.154 4.196 -11.515
68 HG13 VAL 8 3HG1 VAL 8 0.926 2.825 -12.626
69 HG21 VAL 8 3HG2 VAL 8 -1.153 1.555 -10.119
70 HG22 VAL 8 1HG2 VAL 8 -0.136 1.795 -8.678
71 HG23 VAL 8 2HG2 VAL 8 -0.846 3.200 -9.510
72 H CYS 9 H CYS 9 3.282 0.726 -9.480
73 HA CYS 9 HA CYS 9 5.136 0.644 -11.749
74 HB2 CYS 9 1HB CYS 9 6.657 2.027 -10.689
75 HB3 CYS 9 2HB CYS 9 5.113 2.798 -10.382
76 H GLY 10 H GLY 10 4.563 -0.140 -8.247
77 HA2 GLY 10 1HA GLY 10 4.731 -2.649 -7.915
78 HA3 GLY 10 2HA GLY 10 6.355 -2.467 -8.546
79 H TYR 11 H TYR 11 4.351 -2.308 -5.742
80 HA TYR 11 HA TYR 11 6.583 -1.928 -4.050
81 HB2 TYR 11 1HB TYR 11 5.982 0.440 -4.942
82 HB3 TYR 11 2HB TYR 11 4.407 0.249 -4.197
83 HD1 TYR 11 2HD TYR 11 7.991 -0.217 -3.147
84 HD2 TYR 11 1HD TYR 11 4.136 1.379 -2.199
85 HE1 TYR 11 2HE TYR 11 8.905 0.713 -0.964
86 HE2 TYR 11 1HE TYR 11 5.063 2.303 -0.019
87 HH TYR 11 HH TYR 11 7.275 3.005 0.840
88 H GLU 12 H GLU 12 6.001 -3.636 -2.763
89 HA GLU 12 HA GLU 12 3.248 -3.978 -2.086
90 HB2 GLU 12 1HB GLU 12 4.023 -6.016 -0.937
91 HB3 GLU 12 2HB GLU 12 4.692 -5.930 -2.554
92 HG2 GLU 12 1HG GLU 12 6.578 -4.558 -0.964
93 HG3 GLU 12 2HG GLU 12 6.082 -5.908 0.038
94 HE2 GLU 12 HE GLU 12 8.170 -7.798 -1.133
95 H TYR 13 H TYR 13 2.264 -2.970 -0.393
96 HA TYR 13 HA TYR 13 3.969 -1.762 1.638
97 HB2 TYR 13 1HB TYR 13 2.276 -0.309 0.675
98 HB3 TYR 13 2HB TYR 13 1.091 -1.599 0.617
99 HD1 TYR 13 2HD TYR 13 3.033 0.438 3.094
100 HD2 TYR 13 1HD TYR 13 -0.579 -1.691 2.245
101 HE1 TYR 13 2HE TYR 13 2.031 1.252 5.284
102 HE2 TYR 13 1HE TYR 13 -1.569 -0.871 4.438
103 HH TYR 13 HH TYR 13 -0.240 -0.047 6.816
104 H ASP 14 H ASP 14 4.061 -2.434 3.749
105 HA ASP 14 HA ASP 14 2.564 -4.838 4.323
106 HB2 ASP 14 1HB ASP 14 5.119 -3.623 5.198
107 HB3 ASP 14 2HB ASP 14 4.191 -4.275 6.533
108 HD2 ASP 14 HD ASP 14 5.331 -6.349 6.858
109 HA PRO 15 HA PRO 15 -0.002 -2.142 6.758
110 HB2 PRO 15 1HB PRO 15 -2.012 -3.929 7.244
111 HB3 PRO 15 2HB PRO 15 -1.947 -2.927 5.807
112 HG2 PRO 15 1HG PRO 15 -1.363 -5.812 6.083
113 HG3 PRO 15 2HG PRO 15 -1.717 -4.897 4.630
114 HD2 PRO 15 1HD PRO 15 0.859 -5.814 5.497
115 HD3 PRO 15 2HD PRO 15 0.520 -4.802 4.108
116 H ALA 16 H ALA 16 1.047 -5.322 7.690
117 HA ALA 16 HA ALA 16 0.412 -4.928 10.435
118 HB1 ALA 16 1HB ALA 16 1.764 -7.007 10.709
119 HB2 ALA 16 2HB ALA 16 0.530 -7.157 9.435
120 HB3 ALA 16 3HB ALA 16 2.235 -6.898 8.996
121 H GLU 17 H GLU 17 2.767 -3.611 8.338
122 HA GLU 17 HA GLU 17 4.602 -3.239 10.567
123 HB2 GLU 17 1HB GLU 17 5.553 -4.247 8.493
124 HB3 GLU 17 2HB GLU 17 5.059 -2.836 7.577
125 HG2 GLU 17 1HG GLU 17 7.367 -2.471 8.110
126 HG3 GLU 17 2HG GLU 17 6.470 -1.421 9.190
127 HE2 GLU 17 HE GLU 17 7.981 -1.451 10.663
128 H GLY 18 H GLY 18 3.207 -1.451 7.718
129 HA2 GLY 18 1HA GLY 18 1.955 0.578 8.271
130 HA3 GLY 18 2HA GLY 18 3.234 0.987 9.397
131 H ASP 19 H ASP 19 4.166 2.818 8.526
132 HA ASP 19 HA ASP 19 5.882 2.538 6.394
133 HB2 ASP 19 1HB ASP 19 3.364 2.747 5.375
134 HB3 ASP 19 2HB ASP 19 3.721 4.453 5.559
135 HD2 ASP 19 HD ASP 19 4.134 3.871 2.446
136 HA PRO 20 HA PRO 20 6.848 6.166 8.741
137 HB2 PRO 20 1HB PRO 20 9.425 6.482 7.890
138 HB3 PRO 20 2HB PRO 20 8.975 5.420 9.209
139 HG2 PRO 20 1HG PRO 20 9.744 4.716 6.443
140 HG3 PRO 20 2HG PRO 20 9.707 3.693 7.866
141 HD2 PRO 20 1HD PRO 20 7.788 3.739 5.735
142 HD3 PRO 20 2HD PRO 20 7.691 2.802 7.212
143 H ASP 21 H ASP 21 7.449 5.928 5.309
144 HA ASP 21 HA ASP 21 8.009 8.417 4.641
145 HB2 ASP 21 1HB ASP 21 7.202 6.249 3.258
146 HB3 ASP 21 2HB ASP 21 5.700 7.148 3.169
147 HD2 ASP 21 HD ASP 21 5.638 8.863 1.904
148 H ASN 22 H ASN 22 4.673 7.106 5.289
149 HA ASN 22 HA ASN 22 3.761 9.863 5.481
150 HB2 ASN 22 1HB ASN 22 2.405 7.247 4.754
151 HB3 ASN 22 2HB ASN 22 1.430 8.540 5.423
152 HD21 ASN 22 1HD2 ASN 22 3.882 7.865 2.947
153 HD22 ASN 22 2HD2 ASN 22 3.288 8.954 1.738
154 H GLY 23 H GLY 23 5.267 8.480 7.606
155 HA2 GLY 23 1HA GLY 23 5.114 7.737 9.750
156 HA3 GLY 23 2HA GLY 23 4.058 9.128 9.891
157 H VAL 24 H VAL 24 4.237 5.601 9.592
158 HA VAL 24 HA VAL 24 1.427 5.491 10.403
159 HB VAL 24 HB VAL 24 2.761 4.079 8.111
160 HG11 VAL 24 1HG1 VAL 24 0.200 3.162 9.460
161 HG12 VAL 24 2HG1 VAL 24 0.974 2.447 8.026
162 HG13 VAL 24 3HG1 VAL 24 1.777 2.350 9.612
163 HG21 VAL 24 3HG2 VAL 24 0.607 4.687 6.982
164 HG22 VAL 24 1HG2 VAL 24 0.138 5.566 8.457
165 HG23 VAL 24 2HG2 VAL 24 1.564 6.085 7.527
166 H LYS 25 H LYS 25 0.893 3.446 11.552
167 HA LYS 25 HA LYS 25 3.298 2.421 12.887
168 HB2 LYS 25 1HB LYS 25 1.928 2.056 14.839
169 HB3 LYS 25 2HB LYS 25 1.771 3.723 14.323
170 HG2 LYS 25 1HG LYS 25 -0.316 2.830 12.953
171 HG3 LYS 25 2HG LYS 25 -0.234 1.465 14.048
172 HD2 LYS 25 1HD LYS 25 -0.892 2.711 15.886
173 HD3 LYS 25 2HD LYS 25 -0.061 4.156 15.344
174 HE2 LYS 25 1HE LYS 25 -1.823 4.618 13.689
175 HE3 LYS 25 2HE LYS 25 -2.611 3.093 14.040
176 HZ1 LYS 25 2HZ LYS 25 -3.192 5.425 15.277
177 HZ3 LYS 25 1HZ LYS 25 -2.207 4.738 16.378
178 HA PRO 26 HA PRO 26 2.319 -1.538 11.480
179 HB2 PRO 26 1HB PRO 26 3.198 -3.156 13.500
180 HB3 PRO 26 2HB PRO 26 4.270 -2.426 12.321
181 HG2 PRO 26 1HG PRO 26 3.838 -1.676 15.148
182 HG3 PRO 26 2HG PRO 26 5.174 -1.260 14.093
183 HD2 PRO 26 1HD PRO 26 2.998 0.444 14.860
184 HD3 PRO 26 2HD PRO 26 4.271 0.820 13.716
185 H GLY 27 H GLY 27 0.803 -3.199 11.343
186 HA2 GLY 27 1HA GLY 27 -0.937 -4.458 12.192
187 HA3 GLY 27 2HA GLY 27 -0.988 -3.459 13.630
188 H THR 28 H THR 28 -0.693 -1.443 10.893
189 HA THR 28 HA THR 28 -3.500 -0.717 11.112
190 HB THR 28 HB THR 28 -1.100 0.543 9.680
191 HG1 THR 28 1HG THR 28 -1.540 2.015 11.627
192 HG21 THR 28 3HG2 THR 28 -3.038 1.512 8.642
193 HG22 THR 28 1HG2 THR 28 -3.976 1.442 10.153
194 HG23 THR 28 2HG2 THR 28 -2.657 2.623 9.979
195 H SER 29 H SER 29 -4.518 0.045 8.907
196 HA SER 29 HA SER 29 -3.942 -2.043 6.959
197 HB2 SER 29 1HB SER 29 -5.935 -2.937 7.655
198 HB3 SER 29 2HB SER 29 -6.479 -1.436 8.379
199 HG SER 29 HG SER 29 -6.589 -2.209 5.598
200 H PHE 30 H PHE 30 -4.490 -1.451 4.709
201 HA PHE 30 HA PHE 30 -3.871 1.234 4.156
202 HB2 PHE 30 1HB PHE 30 -3.631 -1.084 2.835
203 HB3 PHE 30 2HB PHE 30 -5.261 -0.748 2.285
204 HD1 PHE 30 1HD PHE 30 -5.704 1.169 0.810
205 HD2 PHE 30 2HD PHE 30 -1.755 0.180 2.007
206 HE1 PHE 30 1HE PHE 30 -4.786 2.608 -1.030
207 HE2 PHE 30 2HE PHE 30 -0.836 1.620 0.167
208 HZ PHE 30 HZ PHE 30 -2.363 2.817 -1.329
209 H ASP 31 H ASP 31 -6.885 -0.471 4.761
210 HA ASP 31 HA ASP 31 -8.508 1.307 3.304
211 HB2 ASP 31 1HB ASP 31 -9.025 -1.099 4.163
212 HB3 ASP 31 2HB ASP 31 -9.355 -0.352 5.714
213 HD2 ASP 31 HD ASP 31 -12.296 -0.245 5.286
214 H ASP 32 H ASP 32 -6.701 1.527 6.218
215 HA ASP 32 HA ASP 32 -8.539 3.490 7.323
216 HB2 ASP 32 1HB ASP 32 -6.827 1.458 8.470
217 HB3 ASP 32 2HB ASP 32 -6.262 3.019 9.029
218 HD2 ASP 32 HD ASP 32 -8.873 4.082 10.515
219 H LEU 33 H LEU 33 -5.853 3.176 5.309
220 HA LEU 33 HA LEU 33 -4.059 5.071 6.284
221 HB2 LEU 33 1HB LEU 33 -4.642 3.812 3.644
222 HB3 LEU 33 2HB LEU 33 -3.605 5.225 3.678
223 HG LEU 33 HG LEU 33 -3.111 2.714 5.301
224 HD11 LEU 33 1HD1 LEU 33 -2.990 2.734 2.627
225 HD12 LEU 33 2HD1 LEU 33 -1.378 3.399 2.985
226 HD13 LEU 33 3HD1 LEU 33 -1.853 1.815 3.643
227 HD21 LEU 33 3HD2 LEU 33 -1.445 5.191 4.805
228 HD22 LEU 33 1HD2 LEU 33 -2.073 4.583 6.355
229 HD23 LEU 33 2HD2 LEU 33 -0.803 3.681 5.494
230 HA PRO 34 HA PRO 34 -5.915 8.856 5.360
231 HB2 PRO 34 1HB PRO 34 -3.829 10.440 4.581
232 HB3 PRO 34 2HB PRO 34 -4.168 10.058 6.257
233 HG2 PRO 34 1HG PRO 34 -2.038 8.991 4.508
234 HG3 PRO 34 2HG PRO 34 -2.141 8.958 6.257
235 HD2 PRO 34 1HD PRO 34 -2.646 6.775 4.467
236 HD3 PRO 34 2HD PRO 34 -2.861 6.775 6.206
237 H ALA 35 H ALA 35 -6.437 10.613 3.772
238 HA ALA 35 HA ALA 35 -6.710 9.273 1.217
239 HB1 ALA 35 1HB ALA 35 -8.726 10.251 1.607
240 HB2 ALA 35 2HB ALA 35 -8.039 11.458 2.720
241 HB3 ALA 35 3HB ALA 35 -7.935 11.709 0.961
242 H ASP 36 H ASP 36 -4.118 10.552 2.485
243 HA ASP 36 HA ASP 36 -3.523 12.119 0.100
244 HB2 ASP 36 1HB ASP 36 -3.494 13.017 2.761
245 HB3 ASP 36 2HB ASP 36 -1.810 12.643 2.453
246 HD2 ASP 36 HD ASP 36 -2.809 16.112 1.440
247 H TRP 37 H TRP 37 -3.155 9.187 1.465
248 HA TRP 37 HA TRP 37 -0.277 8.963 1.408
249 HB2 TRP 37 1HB TRP 37 -1.710 7.779 3.066
250 HB3 TRP 37 2HB TRP 37 -2.386 6.827 1.759
251 HD1 TRP 37 HD TRP 37 0.558 6.892 4.096
252 HE1 TRP 37 1HE TRP 37 2.268 4.937 3.631
253 HE3 TRP 37 3HE TRP 37 -1.431 5.509 -0.375
254 HZ2 TRP 37 2HZ TRP 37 2.590 3.073 1.494
255 HZ3 TRP 37 3HZ TRP 37 -0.358 3.612 -1.586
256 HH2 TRP 37 HH TRP 37 1.584 2.407 -0.721
257 H VAL 38 H VAL 38 0.923 8.102 -0.294
258 HA VAL 38 HA VAL 38 -0.470 6.792 -2.459
259 HB VAL 38 HB VAL 38 0.368 8.313 -4.159
260 HG11 VAL 38 1HG1 VAL 38 -1.898 8.656 -3.288
261 HG12 VAL 38 2HG1 VAL 38 -1.261 9.743 -2.031
262 HG13 VAL 38 3HG1 VAL 38 -1.149 10.204 -3.746
263 HG21 VAL 38 3HG2 VAL 38 2.263 9.389 -3.446
264 HG22 VAL 38 1HG2 VAL 38 1.069 10.676 -3.153
265 HG23 VAL 38 2HG2 VAL 38 1.630 9.659 -1.804
266 H CYS 39 H CYS 39 0.928 5.463 -3.700
267 HA CYS 39 HA CYS 39 2.923 4.215 -2.505
268 HB2 CYS 39 1HB CYS 39 2.196 3.347 -4.541
269 HB3 CYS 39 2HB CYS 39 2.504 4.836 -5.412
270 HA PRO 40 HA PRO 40 5.816 7.567 -2.136
271 HB2 PRO 40 1HB PRO 40 7.265 6.510 -0.074
272 HB3 PRO 40 2HB PRO 40 5.840 7.501 0.166
273 HG2 PRO 40 1HG PRO 40 6.132 4.573 0.456
274 HG3 PRO 40 2HG PRO 40 4.874 5.619 1.085
275 HD2 PRO 40 1HD PRO 40 4.680 3.876 -1.185
276 HD3 PRO 40 2HD PRO 40 3.464 5.007 -0.624
277 H VAL 41 H VAL 41 6.035 5.934 -4.308
278 HA VAL 41 HA VAL 41 8.938 5.622 -4.315
279 HB VAL 41 HB VAL 41 7.075 3.540 -5.454
280 HG11 VAL 41 1HG1 VAL 41 9.162 3.443 -6.553
281 HG12 VAL 41 2HG1 VAL 41 10.066 3.728 -5.046
282 HG13 VAL 41 3HG1 VAL 41 9.238 2.174 -5.306
283 HG21 VAL 41 3HG2 VAL 41 8.054 3.902 -2.681
284 HG22 VAL 41 1HG2 VAL 41 6.640 3.012 -3.297
285 HG23 VAL 41 2HG2 VAL 41 8.257 2.271 -3.364
286 H CYS 42 H CYS 42 5.872 5.466 -6.256
287 HA CYS 42 HA CYS 42 7.343 6.865 -8.368
288 HB2 CYS 42 1HB CYS 42 6.040 5.833 -9.982
289 HB3 CYS 42 2HB CYS 42 6.386 4.552 -8.837
290 H GLY 43 H GLY 43 4.320 6.616 -6.417
291 HA2 GLY 43 1HA GLY 43 3.522 8.795 -5.590
292 HA3 GLY 43 2HA GLY 43 3.659 9.383 -7.236
293 H ALA 44 H ALA 44 2.686 6.037 -6.919
294 HA ALA 44 HA ALA 44 0.263 6.476 -8.240
295 HB1 ALA 44 1HB ALA 44 -0.082 4.113 -7.901
296 HB2 ALA 44 2HB ALA 44 1.658 4.366 -8.179
297 HB3 ALA 44 3HB ALA 44 1.051 4.089 -6.529
298 HA PRO 45 HA PRO 45 -2.282 7.609 -4.919
299 HB2 PRO 45 1HB PRO 45 -4.729 7.311 -6.099
300 HB3 PRO 45 2HB PRO 45 -3.723 8.729 -6.322
301 HG2 PRO 45 1HG PRO 45 -4.229 6.501 -8.199
302 HG3 PRO 45 2HG PRO 45 -3.594 8.099 -8.537
303 HD2 PRO 45 1HD PRO 45 -2.099 5.656 -8.378
304 HD3 PRO 45 2HD PRO 45 -1.451 7.269 -8.601
305 H LYS 46 H LYS 46 -3.305 6.809 -3.118
306 HA LYS 46 HA LYS 46 -3.044 4.096 -2.710
307 HB2 LYS 46 1HB LYS 46 -4.158 4.457 -0.649
308 HB3 LYS 46 2HB LYS 46 -3.245 5.914 -0.984
309 HG2 LYS 46 1HG LYS 46 -5.207 7.015 -0.603
310 HG3 LYS 46 2HG LYS 46 -5.647 6.504 -2.220
311 HD2 LYS 46 1HD LYS 46 -7.433 5.489 -1.228
312 HD3 LYS 46 2HD LYS 46 -6.293 4.246 -0.753
313 HE2 LYS 46 1HE LYS 46 -6.287 6.597 1.059
314 HE3 LYS 46 2HE LYS 46 -7.833 5.775 0.996
315 HZ1 LYS 46 2HZ LYS 46 -5.590 4.943 2.387
316 HZ3 LYS 46 1HZ LYS 46 -5.727 3.875 1.165
317 H SER 47 H SER 47 -5.390 5.841 -4.571
318 HA SER 47 HA SER 47 -7.465 3.941 -4.240
319 HB2 SER 47 1HB SER 47 -7.016 6.459 -5.709
320 HB3 SER 47 2HB SER 47 -7.963 5.310 -6.631
321 HG SER 47 HG SER 47 -8.575 6.606 -4.168
322 H GLU 48 H GLU 48 -4.550 4.220 -6.157
323 HA GLU 48 HA GLU 48 -5.540 2.293 -8.075
324 HB2 GLU 48 1HB GLU 48 -3.037 4.010 -7.926
325 HB3 GLU 48 2HB GLU 48 -3.183 2.709 -9.091
326 HG2 GLU 48 1HG GLU 48 -5.207 3.729 -10.057
327 HG3 GLU 48 2HG GLU 48 -5.223 4.964 -8.814
328 HE2 GLU 48 HE GLU 48 -4.138 6.688 -11.320
329 H PHE 49 H PHE 49 -5.052 1.658 -5.168
330 HA PHE 49 HA PHE 49 -2.849 -0.250 -5.501
331 HB2 PHE 49 1HB PHE 49 -3.978 1.479 -3.320
332 HB3 PHE 49 2HB PHE 49 -3.576 -0.144 -2.795
333 HD1 PHE 49 2HD PHE 49 -2.188 2.937 -4.282
334 HD2 PHE 49 1HD PHE 49 -1.315 -0.811 -2.493
335 HE1 PHE 49 2HE PHE 49 0.219 3.608 -4.051
336 HE2 PHE 49 1HE PHE 49 1.092 -0.140 -2.262
337 HZ PHE 49 HZ PHE 49 1.831 2.061 -3.043
338 H GLU 50 H GLU 50 -3.228 -2.441 -5.279
339 HA GLU 50 HA GLU 50 -5.906 -3.167 -4.397
340 HB2 GLU 50 1HB GLU 50 -6.235 -4.659 -6.208
341 HB3 GLU 50 2HB GLU 50 -5.567 -3.223 -6.958
342 HG2 GLU 50 1HG GLU 50 -3.274 -4.275 -6.854
343 HG3 GLU 50 2HG GLU 50 -3.994 -5.727 -6.188
344 HE2 GLU 50 HE GLU 50 -4.047 -7.169 -8.549
345 H ALA 51 H ALA 51 -6.066 -5.286 -3.376
346 HA ALA 51 HA ALA 51 -3.574 -6.024 -2.108
347 HB1 ALA 51 1HB ALA 51 -5.822 -7.678 -1.377
348 HB2 ALA 51 2HB ALA 51 -4.963 -6.463 -0.400
349 HB3 ALA 51 3HB ALA 51 -6.338 -5.975 -1.420
350 H ALA 52 H ALA 52 -2.233 -7.404 -3.159
351 HA ALA 52 HA ALA 52 -3.486 -9.732 -4.426
352 HB1 ALA 52 1HB ALA 52 -2.132 -9.511 -6.368
353 HB2 ALA 52 2HB ALA 52 -2.785 -7.882 -6.070
354 HB3 ALA 52 3HB ALA 52 -1.109 -8.266 -5.611
Start of MODEL 6
1 H1 MET 1 H MET 1 -6.729 -13.953 3.561
2 HA MET 1 HA MET 1 -4.342 -13.299 2.272
3 HB2 MET 1 1HB MET 1 -7.313 -12.978 1.679
4 HB3 MET 1 2HB MET 1 -6.142 -12.275 0.582
5 HG2 MET 1 1HG MET 1 -5.059 -14.770 0.831
6 HG3 MET 1 2HG MET 1 -6.740 -15.166 1.125
7 HE1 MET 1 3HE MET 1 -7.533 -16.294 -0.356
8 HE2 MET 1 1HE MET 1 -8.227 -15.653 -1.864
9 HE3 MET 1 2HE MET 1 -6.686 -16.543 -1.902
10 H LYS 2 H LYS 2 -3.200 -11.403 2.157
11 HA LYS 2 HA LYS 2 -4.541 -8.890 2.397
12 HB2 LYS 2 1HB LYS 2 -3.301 -10.109 4.758
13 HB3 LYS 2 2HB LYS 2 -2.642 -8.529 4.384
14 HG2 LYS 2 1HG LYS 2 -5.610 -9.189 4.699
15 HG3 LYS 2 2HG LYS 2 -4.621 -8.348 5.878
16 HD2 LYS 2 1HD LYS 2 -5.270 -6.423 4.853
17 HD3 LYS 2 2HD LYS 2 -4.170 -6.861 3.561
18 HE2 LYS 2 1HE LYS 2 -5.927 -7.050 2.141
19 HE3 LYS 2 2HE LYS 2 -6.559 -8.367 3.108
20 HZ1 LYS 2 2HZ LYS 2 -7.087 -5.494 3.654
21 HZ3 LYS 2 1HZ LYS 2 -7.713 -6.739 4.495
22 H LYS 3 H LYS 3 -2.258 -7.301 2.953
23 HA LYS 3 HA LYS 3 -0.431 -6.480 2.020
24 HB2 LYS 3 1HB LYS 3 0.078 -9.306 1.045
25 HB3 LYS 3 2HB LYS 3 1.234 -7.991 0.988
26 HG2 LYS 3 1HG LYS 3 -0.094 -8.755 3.611
27 HG3 LYS 3 2HG LYS 3 1.294 -9.652 3.027
28 HD2 LYS 3 1HD LYS 3 1.747 -6.755 2.832
29 HD3 LYS 3 2HD LYS 3 1.337 -7.221 4.471
30 HE2 LYS 3 1HE LYS 3 3.304 -8.366 4.778
31 HE3 LYS 3 2HE LYS 3 3.262 -9.072 3.175
32 HZ1 LYS 3 2HZ LYS 3 5.057 -7.570 3.135
33 HZ3 LYS 3 1HZ LYS 3 4.258 -6.390 3.924
34 H TYR 4 H TYR 4 -0.580 -5.038 0.393
35 HA TYR 4 HA TYR 4 -1.852 -5.982 -2.087
36 HB2 TYR 4 1HB TYR 4 -1.553 -3.065 -1.378
37 HB3 TYR 4 2HB TYR 4 -2.941 -3.876 -2.075
38 HD1 TYR 4 2HD TYR 4 -1.114 -3.324 1.124
39 HD2 TYR 4 1HD TYR 4 -4.775 -4.541 -0.725
40 HE1 TYR 4 2HE TYR 4 -2.273 -3.301 3.387
41 HE2 TYR 4 1HE TYR 4 -5.921 -4.514 1.544
42 HH TYR 4 HH TYR 4 -5.329 -4.706 3.859
43 H VAL 5 H VAL 5 -1.227 -3.916 -3.796
44 HA VAL 5 HA VAL 5 1.575 -3.332 -3.652
45 HB VAL 5 HB VAL 5 0.491 -5.374 -5.590
46 HG11 VAL 5 1HG1 VAL 5 2.615 -5.244 -6.800
47 HG12 VAL 5 2HG1 VAL 5 1.764 -3.681 -6.850
48 HG13 VAL 5 3HG1 VAL 5 3.146 -3.907 -5.752
49 HG21 VAL 5 3HG2 VAL 5 2.699 -5.368 -3.519
50 HG22 VAL 5 1HG2 VAL 5 1.268 -6.423 -3.614
51 HG23 VAL 5 2HG2 VAL 5 2.584 -6.600 -4.799
52 H CYS 6 H CYS 6 2.238 -1.919 -5.502
53 HA CYS 6 HA CYS 6 -0.005 -0.249 -6.198
54 HB2 CYS 6 1HB CYS 6 1.787 1.010 -5.447
55 HB3 CYS 6 2HB CYS 6 2.975 0.035 -6.289
56 H THR 7 H THR 7 -0.790 0.036 -8.325
57 HA THR 7 HA THR 7 -0.148 -2.078 -10.165
58 HB THR 7 HB THR 7 -2.030 -1.067 -11.434
59 HG1 THR 7 1HG THR 7 -2.187 0.901 -9.317
60 HG21 THR 7 3HG2 THR 7 -3.660 -0.665 -9.343
61 HG22 THR 7 1HG2 THR 7 -3.078 -2.304 -9.724
62 HG23 THR 7 2HG2 THR 7 -2.298 -1.360 -8.432
63 H VAL 8 H VAL 8 0.608 1.386 -9.784
64 HA VAL 8 HA VAL 8 1.574 1.751 -12.397
65 HB VAL 8 HB VAL 8 2.384 3.179 -9.859
66 HG11 VAL 8 1HG1 VAL 8 2.668 5.117 -11.419
67 HG12 VAL 8 2HG1 VAL 8 3.803 3.778 -11.712
68 HG13 VAL 8 3HG1 VAL 8 2.397 4.003 -12.780
69 HG21 VAL 8 3HG2 VAL 8 -0.082 3.446 -11.585
70 HG22 VAL 8 1HG2 VAL 8 0.034 3.274 -9.817
71 HG23 VAL 8 2HG2 VAL 8 0.524 4.797 -10.597
72 H CYS 9 H CYS 9 3.706 1.966 -9.500
73 HA CYS 9 HA CYS 9 5.774 0.686 -11.053
74 HB2 CYS 9 1HB CYS 9 7.301 1.517 -9.509
75 HB3 CYS 9 2HB CYS 9 6.103 2.786 -9.674
76 H GLY 10 H GLY 10 4.113 0.324 -7.834
77 HA2 GLY 10 1HA GLY 10 3.289 -1.748 -7.082
78 HA3 GLY 10 2HA GLY 10 4.477 -2.586 -8.060
79 H TYR 11 H TYR 11 3.797 -1.064 -4.977
80 HA TYR 11 HA TYR 11 6.445 -1.925 -4.049
81 HB2 TYR 11 1HB TYR 11 6.525 0.511 -4.206
82 HB3 TYR 11 2HB TYR 11 4.854 0.670 -3.703
83 HD1 TYR 11 2HD TYR 11 8.016 -0.813 -2.303
84 HD2 TYR 11 1HD TYR 11 4.531 1.566 -1.596
85 HE1 TYR 11 2HE TYR 11 8.770 -0.407 0.091
86 HE2 TYR 11 1HE TYR 11 5.297 1.964 0.796
87 HH TYR 11 HH TYR 11 8.388 1.397 1.815
88 H GLU 12 H GLU 12 5.358 -3.890 -3.325
89 HA GLU 12 HA GLU 12 3.138 -4.204 -1.974
90 HB2 GLU 12 1HB GLU 12 4.745 -6.020 -2.410
91 HB3 GLU 12 2HB GLU 12 5.845 -5.381 -1.204
92 HG2 GLU 12 1HG GLU 12 4.158 -5.770 0.579
93 HG3 GLU 12 2HG GLU 12 3.004 -6.338 -0.611
94 HE2 GLU 12 HE GLU 12 6.407 -7.067 -0.055
95 H TYR 13 H TYR 13 2.134 -3.230 -0.272
96 HA TYR 13 HA TYR 13 3.753 -1.634 1.532
97 HB2 TYR 13 1HB TYR 13 1.709 -0.636 0.633
98 HB3 TYR 13 2HB TYR 13 0.801 -2.117 0.866
99 HD1 TYR 13 2HD TYR 13 2.524 0.596 2.781
100 HD2 TYR 13 1HD TYR 13 -0.539 -2.391 2.773
101 HE1 TYR 13 2HE TYR 13 1.655 1.471 5.005
102 HE2 TYR 13 1HE TYR 13 -1.397 -1.506 4.997
103 HH TYR 13 HH TYR 13 -0.077 -0.121 7.012
104 H ASP 14 H ASP 14 3.817 -1.896 3.804
105 HA ASP 14 HA ASP 14 3.025 -4.573 4.621
106 HB2 ASP 14 1HB ASP 14 4.639 -3.522 6.645
107 HB3 ASP 14 2HB ASP 14 5.162 -4.628 5.390
108 HD2 ASP 14 HD ASP 14 7.406 -3.371 5.388
109 HA PRO 15 HA PRO 15 0.132 -2.129 6.990
110 HB2 PRO 15 1HB PRO 15 -1.640 -4.141 7.520
111 HB3 PRO 15 2HB PRO 15 -1.720 -3.149 6.078
112 HG2 PRO 15 1HG PRO 15 -0.789 -5.941 6.359
113 HG3 PRO 15 2HG PRO 15 -1.274 -5.086 4.908
114 HD2 PRO 15 1HD PRO 15 1.408 -5.680 5.735
115 HD3 PRO 15 2HD PRO 15 0.926 -4.726 4.346
116 H ALA 16 H ALA 16 1.553 -5.163 7.924
117 HA ALA 16 HA ALA 16 0.938 -4.789 10.683
118 HB1 ALA 16 1HB ALA 16 1.759 -6.882 9.037
119 HB2 ALA 16 2HB ALA 16 3.192 -6.557 10.042
120 HB3 ALA 16 3HB ALA 16 1.631 -6.933 10.812
121 H GLU 17 H GLU 17 3.147 -3.350 8.489
122 HA GLU 17 HA GLU 17 5.004 -2.783 10.654
123 HB2 GLU 17 1HB GLU 17 5.738 -3.698 8.319
124 HB3 GLU 17 2HB GLU 17 5.431 -2.075 7.733
125 HG2 GLU 17 1HG GLU 17 7.546 -1.574 8.404
126 HG3 GLU 17 2HG GLU 17 6.925 -1.599 10.042
127 HE2 GLU 17 HE GLU 17 8.600 -5.008 8.714
128 H GLY 18 H GLY 18 3.320 -1.137 7.877
129 HA2 GLY 18 1HA GLY 18 1.920 0.777 8.529
130 HA3 GLY 18 2HA GLY 18 3.249 1.313 9.537
131 H ASP 19 H ASP 19 4.031 3.166 8.595
132 HA ASP 19 HA ASP 19 5.479 2.958 6.243
133 HB2 ASP 19 1HB ASP 19 2.841 3.181 5.600
134 HB3 ASP 19 2HB ASP 19 3.213 4.882 5.796
135 HD2 ASP 19 HD ASP 19 5.387 5.423 4.154
136 HA PRO 20 HA PRO 20 6.641 6.470 8.731
137 HB2 PRO 20 1HB PRO 20 9.268 6.556 7.981
138 HB3 PRO 20 2HB PRO 20 8.681 5.570 9.306
139 HG2 PRO 20 1HG PRO 20 9.500 4.731 6.592
140 HG3 PRO 20 2HG PRO 20 9.324 3.755 8.037
141 HD2 PRO 20 1HD PRO 20 7.501 3.894 5.827
142 HD3 PRO 20 2HD PRO 20 7.270 3.009 7.322
143 H ASP 21 H ASP 21 7.358 6.089 5.334
144 HA ASP 21 HA ASP 21 8.163 8.458 4.582
145 HB2 ASP 21 1HB ASP 21 7.161 6.398 3.234
146 HB3 ASP 21 2HB ASP 21 5.697 7.360 3.204
147 HD2 ASP 21 HD ASP 21 8.912 8.687 1.207
148 H ASN 22 H ASN 22 4.765 7.602 5.508
149 HA ASN 22 HA ASN 22 4.116 10.433 5.391
150 HB2 ASN 22 1HB ASN 22 2.467 7.881 5.268
151 HB3 ASN 22 2HB ASN 22 1.695 9.378 5.752
152 HD21 ASN 22 1HD2 ASN 22 3.887 8.065 3.277
153 HD22 ASN 22 2HD2 ASN 22 3.251 8.945 1.927
154 H GLY 23 H GLY 23 4.172 7.452 7.402
155 HA2 GLY 23 1HA GLY 23 4.755 7.738 9.733
156 HA3 GLY 23 2HA GLY 23 3.679 9.120 9.795
157 H VAL 24 H VAL 24 3.868 5.559 9.554
158 HA VAL 24 HA VAL 24 1.144 5.456 10.606
159 HB VAL 24 HB VAL 24 2.224 3.956 8.219
160 HG11 VAL 24 1HG1 VAL 24 0.432 2.454 8.279
161 HG12 VAL 24 2HG1 VAL 24 0.951 2.543 9.979
162 HG13 VAL 24 3HG1 VAL 24 -0.487 3.442 9.438
163 HG21 VAL 24 3HG2 VAL 24 -0.391 4.965 7.798
164 HG22 VAL 24 1HG2 VAL 24 0.551 6.274 8.552
165 HG23 VAL 24 2HG2 VAL 24 1.131 5.510 7.052
166 H LYS 25 H LYS 25 0.797 3.771 12.097
167 HA LYS 25 HA LYS 25 3.255 2.648 13.131
168 HB2 LYS 25 1HB LYS 25 2.044 2.217 15.108
169 HB3 LYS 25 2HB LYS 25 1.501 3.788 14.555
170 HG2 LYS 25 1HG LYS 25 -0.128 1.681 13.349
171 HG3 LYS 25 2HG LYS 25 -0.105 1.501 15.092
172 HD2 LYS 25 1HD LYS 25 -0.402 4.301 14.588
173 HD3 LYS 25 2HD LYS 25 -1.494 3.489 13.483
174 HE2 LYS 25 1HE LYS 25 -2.939 3.064 15.179
175 HE3 LYS 25 2HE LYS 25 -1.704 2.163 16.036
176 HZ1 LYS 25 2HZ LYS 25 -1.100 4.028 17.253
177 HZ3 LYS 25 1HZ LYS 25 -2.693 4.323 17.084
178 HA PRO 26 HA PRO 26 2.593 -1.334 11.608
179 HB2 PRO 26 1HB PRO 26 3.544 -2.953 13.594
180 HB3 PRO 26 2HB PRO 26 4.585 -2.109 12.466
181 HG2 PRO 26 1HG PRO 26 4.039 -1.489 15.304
182 HG3 PRO 26 2HG PRO 26 5.364 -0.941 14.296
183 HD2 PRO 26 1HD PRO 26 3.054 0.574 15.066
184 HD3 PRO 26 2HD PRO 26 4.320 1.080 13.965
185 H GLY 27 H GLY 27 1.121 -2.970 11.303
186 HA2 GLY 27 1HA GLY 27 -0.484 -4.449 12.175
187 HA3 GLY 27 2HA GLY 27 -0.715 -3.399 13.559
188 H THR 28 H THR 28 -0.490 -1.148 11.210
189 HA THR 28 HA THR 28 -3.332 -0.820 11.053
190 HB THR 28 HB THR 28 -1.000 0.699 9.768
191 HG1 THR 28 1HG THR 28 -1.610 2.055 11.750
192 HG21 THR 28 3HG2 THR 28 -3.446 1.136 8.929
193 HG22 THR 28 1HG2 THR 28 -3.740 1.769 10.567
194 HG23 THR 28 2HG2 THR 28 -2.520 2.536 9.522
195 H SER 29 H SER 29 -4.522 -0.479 9.011
196 HA SER 29 HA SER 29 -3.523 -2.377 7.034
197 HB2 SER 29 1HB SER 29 -5.794 -2.984 6.541
198 HB3 SER 29 2HB SER 29 -5.644 -2.998 8.287
199 HG SER 29 HG SER 29 -6.362 -0.483 7.513
200 H PHE 30 H PHE 30 -3.576 -1.772 4.813
201 HA PHE 30 HA PHE 30 -3.254 0.910 4.247
202 HB2 PHE 30 1HB PHE 30 -2.626 -1.289 2.962
203 HB3 PHE 30 2HB PHE 30 -4.276 -1.300 2.372
204 HD1 PHE 30 2HD PHE 30 -5.049 0.443 0.811
205 HD2 PHE 30 1HD PHE 30 -1.006 0.260 2.088
206 HE1 PHE 30 2HE PHE 30 -4.382 1.948 -1.084
207 HE2 PHE 30 1HE PHE 30 -0.340 1.765 0.194
208 HZ PHE 30 HZ PHE 30 -2.036 2.591 -1.370
209 H ASP 31 H ASP 31 -6.167 -0.865 4.831
210 HA ASP 31 HA ASP 31 -7.795 0.697 3.115
211 HB2 ASP 31 1HB ASP 31 -8.196 -1.704 4.111
212 HB3 ASP 31 2HB ASP 31 -8.754 -0.861 5.543
213 HD2 ASP 31 HD ASP 31 -10.541 -2.005 5.046
214 H ASP 32 H ASP 32 -6.077 1.389 5.909
215 HA ASP 32 HA ASP 32 -8.160 3.168 6.906
216 HB2 ASP 32 1HB ASP 32 -6.569 1.315 8.276
217 HB3 ASP 32 2HB ASP 32 -5.729 2.826 8.566
218 HD2 ASP 32 HD ASP 32 -7.721 4.032 10.796
219 H LEU 33 H LEU 33 -5.182 2.880 5.188
220 HA LEU 33 HA LEU 33 -3.721 5.063 6.021
221 HB2 LEU 33 1HB LEU 33 -3.988 3.549 3.457
222 HB3 LEU 33 2HB LEU 33 -3.045 5.026 3.481
223 HG LEU 33 HG LEU 33 -2.552 2.680 5.332
224 HD11 LEU 33 1HD1 LEU 33 -2.229 2.428 2.713
225 HD12 LEU 33 2HD1 LEU 33 -0.718 3.304 3.060
226 HD13 LEU 33 3HD1 LEU 33 -1.057 1.758 3.875
227 HD21 LEU 33 3HD2 LEU 33 -0.424 4.647 4.712
228 HD22 LEU 33 1HD2 LEU 33 -1.771 5.231 5.720
229 HD23 LEU 33 2HD2 LEU 33 -0.822 3.815 6.234
230 HA PRO 34 HA PRO 34 -6.007 8.484 4.720
231 HB2 PRO 34 1HB PRO 34 -4.055 10.376 4.438
232 HB3 PRO 34 2HB PRO 34 -4.728 9.917 5.990
233 HG2 PRO 34 1HG PRO 34 -2.104 9.211 4.826
234 HG3 PRO 34 2HG PRO 34 -2.620 9.132 6.499
235 HD2 PRO 34 1HD PRO 34 -2.348 6.930 4.681
236 HD3 PRO 34 2HD PRO 34 -2.974 6.867 6.317
237 H ALA 35 H ALA 35 -6.993 9.337 2.956
238 HA ALA 35 HA ALA 35 -6.458 8.268 0.518
239 HB1 ALA 35 1HB ALA 35 -8.474 9.598 1.263
240 HB2 ALA 35 2HB ALA 35 -7.517 11.077 1.009
241 HB3 ALA 35 3HB ALA 35 -7.882 10.006 -0.365
242 H ASP 36 H ASP 36 -5.105 11.285 1.972
243 HA ASP 36 HA ASP 36 -3.807 12.220 -0.224
244 HB2 ASP 36 1HB ASP 36 -3.601 12.496 2.702
245 HB3 ASP 36 2HB ASP 36 -2.041 12.690 1.928
246 HD2 ASP 36 HD ASP 36 -2.736 15.883 0.969
247 H TRP 37 H TRP 37 -3.010 9.562 2.035
248 HA TRP 37 HA TRP 37 -0.323 9.233 1.522
249 HB2 TRP 37 1HB TRP 37 -1.678 8.083 3.263
250 HB3 TRP 37 2HB TRP 37 -2.366 7.062 2.016
251 HD1 TRP 37 HD TRP 37 0.584 7.232 4.309
252 HE1 TRP 37 1HE TRP 37 2.348 5.321 3.861
253 HE3 TRP 37 3HE TRP 37 -1.363 5.761 -0.151
254 HZ2 TRP 37 2HZ TRP 37 2.722 3.451 1.738
255 HZ3 TRP 37 3HZ TRP 37 -0.238 3.885 -1.347
256 HH2 TRP 37 HH TRP 37 1.736 2.741 -0.471
257 H VAL 38 H VAL 38 0.864 8.207 -0.125
258 HA VAL 38 HA VAL 38 -0.600 6.892 -2.249
259 HB VAL 38 HB VAL 38 0.514 8.310 -3.967
260 HG11 VAL 38 1HG1 VAL 38 -1.891 8.615 -2.865
261 HG12 VAL 38 2HG1 VAL 38 -1.192 10.174 -2.367
262 HG13 VAL 38 3HG1 VAL 38 -1.270 9.744 -4.092
263 HG21 VAL 38 3HG2 VAL 38 2.203 9.598 -3.228
264 HG22 VAL 38 1HG2 VAL 38 0.926 10.739 -2.743
265 HG23 VAL 38 2HG2 VAL 38 1.599 9.598 -1.554
266 H CYS 39 H CYS 39 0.785 5.548 -3.568
267 HA CYS 39 HA CYS 39 2.634 4.127 -2.297
268 HB2 CYS 39 1HB CYS 39 1.888 3.359 -4.381
269 HB3 CYS 39 2HB CYS 39 2.394 4.816 -5.214
270 HA PRO 40 HA PRO 40 5.734 7.270 -1.793
271 HB2 PRO 40 1HB PRO 40 7.034 6.099 0.306
272 HB3 PRO 40 2HB PRO 40 5.673 7.184 0.507
273 HG2 PRO 40 1HG PRO 40 5.753 4.242 0.777
274 HG3 PRO 40 2HG PRO 40 4.549 5.366 1.374
275 HD2 PRO 40 1HD PRO 40 4.315 3.659 -0.919
276 HD3 PRO 40 2HD PRO 40 3.161 4.867 -0.389
277 H VAL 41 H VAL 41 6.003 5.886 -4.022
278 HA VAL 41 HA VAL 41 8.845 5.320 -3.927
279 HB VAL 41 HB VAL 41 6.830 3.321 -4.974
280 HG11 VAL 41 1HG1 VAL 41 8.671 1.922 -5.539
281 HG12 VAL 41 2HG1 VAL 41 9.041 3.531 -6.205
282 HG13 VAL 41 3HG1 VAL 41 9.830 2.985 -4.705
283 HG21 VAL 41 3HG2 VAL 41 7.842 1.861 -3.142
284 HG22 VAL 41 1HG2 VAL 41 8.509 3.362 -2.456
285 HG23 VAL 41 2HG2 VAL 41 6.747 3.161 -2.612
286 H CYS 42 H CYS 42 5.824 5.308 -5.942
287 HA CYS 42 HA CYS 42 7.414 6.605 -8.031
288 HB2 CYS 42 1HB CYS 42 6.025 5.684 -9.657
289 HB3 CYS 42 2HB CYS 42 6.324 4.376 -8.529
290 H GLY 43 H GLY 43 4.441 6.633 -6.018
291 HA2 GLY 43 1HA GLY 43 3.712 8.797 -5.228
292 HA3 GLY 43 2HA GLY 43 4.015 9.446 -6.827
293 H ALA 44 H ALA 44 2.692 6.189 -6.645
294 HA ALA 44 HA ALA 44 0.355 7.026 -8.040
295 HB1 ALA 44 1HB ALA 44 -0.198 4.538 -7.746
296 HB2 ALA 44 2HB ALA 44 1.305 4.919 -8.621
297 HB3 ALA 44 3HB ALA 44 1.373 4.394 -6.922
298 HA PRO 45 HA PRO 45 -2.161 7.678 -4.572
299 HB2 PRO 45 1HB PRO 45 -4.612 7.708 -5.780
300 HB3 PRO 45 2HB PRO 45 -3.538 9.093 -5.757
301 HG2 PRO 45 1HG PRO 45 -4.139 7.250 -7.989
302 HG3 PRO 45 2HG PRO 45 -3.426 8.850 -8.048
303 HD2 PRO 45 1HD PRO 45 -2.051 6.347 -8.317
304 HD3 PRO 45 2HD PRO 45 -1.325 7.941 -8.259
305 H LYS 46 H LYS 46 -3.025 6.560 -2.902
306 HA LYS 46 HA LYS 46 -2.959 3.841 -2.979
307 HB2 LYS 46 1HB LYS 46 -4.037 3.884 -0.880
308 HB3 LYS 46 2HB LYS 46 -3.117 5.372 -0.974
309 HG2 LYS 46 1HG LYS 46 -5.041 6.477 -0.492
310 HG3 LYS 46 2HG LYS 46 -5.588 6.076 -2.108
311 HD2 LYS 46 1HD LYS 46 -7.323 5.102 -0.934
312 HD3 LYS 46 2HD LYS 46 -6.223 3.737 -0.917
313 HE2 LYS 46 1HE LYS 46 -7.011 4.061 1.356
314 HE3 LYS 46 2HE LYS 46 -5.328 4.546 1.314
315 HZ1 LYS 46 2HZ LYS 46 -6.329 6.335 2.370
316 HZ3 LYS 46 1HZ LYS 46 -7.705 6.267 1.502
317 H SER 47 H SER 47 -5.352 6.010 -4.346
318 HA SER 47 HA SER 47 -7.535 4.338 -4.336
319 HB2 SER 47 1HB SER 47 -7.123 6.863 -5.152
320 HB3 SER 47 2HB SER 47 -7.000 6.097 -6.723
321 HG SER 47 HG SER 47 -9.151 4.985 -5.662
322 H GLU 48 H GLU 48 -4.513 4.160 -6.081
323 HA GLU 48 HA GLU 48 -5.642 2.487 -8.133
324 HB2 GLU 48 1HB GLU 48 -2.737 3.270 -7.629
325 HB3 GLU 48 2HB GLU 48 -3.354 2.487 -9.070
326 HG2 GLU 48 1HG GLU 48 -4.967 4.537 -9.265
327 HG3 GLU 48 2HG GLU 48 -3.921 5.310 -8.091
328 HE2 GLU 48 HE GLU 48 -3.421 6.736 -9.792
329 H PHE 49 H PHE 49 -3.245 2.272 -5.418
330 HA PHE 49 HA PHE 49 -2.321 -0.189 -5.563
331 HB2 PHE 49 1HB PHE 49 -3.210 1.695 -3.463
332 HB3 PHE 49 2HB PHE 49 -3.361 0.043 -2.899
333 HD1 PHE 49 1HD PHE 49 -1.223 -1.467 -3.368
334 HD2 PHE 49 2HD PHE 49 -1.193 2.771 -3.151
335 HE1 PHE 49 1HE PHE 49 1.230 -1.512 -2.841
336 HE2 PHE 49 2HE PHE 49 1.261 2.726 -2.624
337 HZ PHE 49 HZ PHE 49 2.443 0.585 -2.475
338 H GLU 50 H GLU 50 -2.960 -2.330 -5.388
339 HA GLU 50 HA GLU 50 -5.741 -2.763 -4.663
340 HB2 GLU 50 1HB GLU 50 -6.120 -4.231 -6.543
341 HB3 GLU 50 2HB GLU 50 -5.487 -2.725 -7.176
342 HG2 GLU 50 1HG GLU 50 -3.216 -3.707 -7.335
343 HG3 GLU 50 2HG GLU 50 -3.783 -5.196 -6.606
344 HE2 GLU 50 HE GLU 50 -5.958 -6.011 -8.964
345 H ALA 51 H ALA 51 -6.185 -5.062 -4.002
346 HA ALA 51 HA ALA 51 -3.843 -6.106 -2.627
347 HB1 ALA 51 1HB ALA 51 -5.349 -6.475 -1.005
348 HB2 ALA 51 2HB ALA 51 -6.632 -5.826 -2.055
349 HB3 ALA 51 3HB ALA 51 -6.256 -7.565 -2.081
350 H ALA 52 H ALA 52 -2.613 -7.533 -3.753
351 HA ALA 52 HA ALA 52 -3.542 -8.891 -6.019
352 HB1 ALA 52 1HB ALA 52 -1.382 -9.951 -5.982
353 HB2 ALA 52 2HB ALA 52 -1.157 -8.282 -5.406
354 HB3 ALA 52 3HB ALA 52 -1.188 -9.629 -4.242
Start of MODEL 7
1 H1 MET 1 H MET 1 -2.838 -9.469 6.466
2 HA MET 1 HA MET 1 -4.021 -12.048 6.841
3 HB2 MET 1 1HB MET 1 -6.242 -11.028 5.807
4 HB3 MET 1 2HB MET 1 -5.966 -10.868 7.530
5 HG2 MET 1 1HG MET 1 -4.663 -8.650 6.198
6 HG3 MET 1 2HG MET 1 -6.300 -8.770 5.586
7 HE1 MET 1 3HE MET 1 -7.876 -9.807 8.886
8 HE2 MET 1 1HE MET 1 -8.644 -8.381 8.148
9 HE3 MET 1 2HE MET 1 -8.039 -9.700 7.117
10 H LYS 2 H LYS 2 -3.547 -9.136 4.764
11 HA LYS 2 HA LYS 2 -2.541 -10.774 2.663
12 HB2 LYS 2 1HB LYS 2 -4.197 -10.346 0.987
13 HB3 LYS 2 2HB LYS 2 -4.990 -11.092 2.361
14 HG2 LYS 2 1HG LYS 2 -5.470 -8.633 3.151
15 HG3 LYS 2 2HG LYS 2 -5.064 -8.175 1.509
16 HD2 LYS 2 1HD LYS 2 -6.819 -10.359 1.184
17 HD3 LYS 2 2HD LYS 2 -7.500 -9.472 2.533
18 HE2 LYS 2 1HE LYS 2 -6.599 -7.758 0.266
19 HE3 LYS 2 2HE LYS 2 -7.915 -8.845 -0.129
20 HZ1 LYS 2 2HZ LYS 2 -9.310 -7.561 1.054
21 HZ3 LYS 2 1HZ LYS 2 -8.121 -6.470 1.270
22 H LYS 3 H LYS 3 -1.427 -9.511 1.068
23 HA LYS 3 HA LYS 3 -1.176 -6.694 1.866
24 HB2 LYS 3 1HB LYS 3 0.827 -8.802 1.407
25 HB3 LYS 3 2HB LYS 3 1.165 -7.311 0.552
26 HG2 LYS 3 1HG LYS 3 1.997 -6.504 2.506
27 HG3 LYS 3 2HG LYS 3 0.344 -6.413 3.078
28 HD2 LYS 3 1HD LYS 3 1.685 -9.097 3.256
29 HD3 LYS 3 2HD LYS 3 2.262 -7.855 4.351
30 HE2 LYS 3 1HE LYS 3 -0.073 -7.475 5.161
31 HE3 LYS 3 2HE LYS 3 -0.661 -8.701 4.056
32 HZ1 LYS 3 2HZ LYS 3 1.341 -9.965 5.427
33 HZ3 LYS 3 1HZ LYS 3 -0.250 -10.130 5.733
34 H TYR 4 H TYR 4 -0.701 -5.164 0.100
35 HA TYR 4 HA TYR 4 -1.767 -6.160 -2.457
36 HB2 TYR 4 1HB TYR 4 -1.900 -3.249 -1.767
37 HB3 TYR 4 2HB TYR 4 -3.166 -4.269 -2.422
38 HD1 TYR 4 2HD TYR 4 -1.387 -3.432 0.752
39 HD2 TYR 4 1HD TYR 4 -4.915 -5.053 -1.046
40 HE1 TYR 4 2HE TYR 4 -2.528 -3.486 3.023
41 HE2 TYR 4 1HE TYR 4 -6.044 -5.103 1.232
42 HH TYR 4 HH TYR 4 -4.246 -4.345 4.151
43 H VAL 5 H VAL 5 -1.256 -4.140 -4.157
44 HA VAL 5 HA VAL 5 1.426 -3.162 -3.767
45 HB VAL 5 HB VAL 5 0.746 -5.260 -5.829
46 HG11 VAL 5 1HG1 VAL 5 1.977 -3.331 -6.842
47 HG12 VAL 5 2HG1 VAL 5 3.294 -3.617 -5.679
48 HG13 VAL 5 3HG1 VAL 5 2.880 -4.864 -6.879
49 HG21 VAL 5 3HG2 VAL 5 2.702 -6.427 -4.872
50 HG22 VAL 5 1HG2 VAL 5 2.883 -5.122 -3.675
51 HG23 VAL 5 2HG2 VAL 5 1.428 -6.147 -3.661
52 H CYS 6 H CYS 6 2.000 -1.543 -5.398
53 HA CYS 6 HA CYS 6 -0.272 -0.056 -6.163
54 HB2 CYS 6 1HB CYS 6 1.633 1.167 -5.535
55 HB3 CYS 6 2HB CYS 6 2.688 0.259 -6.600
56 H THR 7 H THR 7 -0.608 0.695 -8.509
57 HA THR 7 HA THR 7 -0.539 -1.652 -10.219
58 HB THR 7 HB THR 7 -1.918 0.126 -11.649
59 HG1 THR 7 1HG THR 7 -1.846 2.028 -10.513
60 HG21 THR 7 3HG2 THR 7 -3.384 -1.465 -10.767
61 HG22 THR 7 1HG2 THR 7 -2.699 -1.331 -9.130
62 HG23 THR 7 2HG2 THR 7 -3.824 -0.088 -9.728
63 H VAL 8 H VAL 8 0.004 1.831 -11.020
64 HA VAL 8 HA VAL 8 1.454 1.511 -13.237
65 HB VAL 8 HB VAL 8 2.593 3.635 -12.627
66 HG11 VAL 8 1HG1 VAL 8 -0.285 3.918 -11.815
67 HG12 VAL 8 2HG1 VAL 8 0.690 4.914 -12.922
68 HG13 VAL 8 3HG1 VAL 8 0.112 3.313 -13.441
69 HG21 VAL 8 3HG2 VAL 8 2.016 4.738 -10.503
70 HG22 VAL 8 1HG2 VAL 8 1.157 3.271 -9.975
71 HG23 VAL 8 2HG2 VAL 8 2.918 3.227 -10.234
72 H CYS 9 H CYS 9 2.751 1.344 -9.860
73 HA CYS 9 HA CYS 9 5.089 0.009 -11.017
74 HB2 CYS 9 1HB CYS 9 6.539 1.177 -9.748
75 HB3 CYS 9 2HB CYS 9 5.292 2.399 -9.897
76 H GLY 10 H GLY 10 6.223 -1.214 -8.925
77 HA2 GLY 10 1HA GLY 10 4.192 -3.086 -8.044
78 HA3 GLY 10 2HA GLY 10 5.930 -3.218 -7.859
79 H TYR 11 H TYR 11 6.831 -2.795 -5.873
80 HA TYR 11 HA TYR 11 6.950 -2.297 -3.715
81 HB2 TYR 11 1HB TYR 11 6.950 0.021 -4.538
82 HB3 TYR 11 2HB TYR 11 5.235 -0.040 -4.892
83 HD1 TYR 11 2HD TYR 11 7.681 -0.035 -2.075
84 HD2 TYR 11 1HD TYR 11 3.643 0.674 -3.298
85 HE1 TYR 11 2HE TYR 11 7.169 1.001 0.190
86 HE2 TYR 11 1HE TYR 11 3.145 1.708 -1.030
87 HH TYR 11 HH TYR 11 5.721 2.200 1.332
88 H GLU 12 H GLU 12 6.022 -3.605 -2.224
89 HA GLU 12 HA GLU 12 3.126 -3.749 -2.238
90 HB2 GLU 12 1HB GLU 12 3.399 -5.836 -0.984
91 HB3 GLU 12 2HB GLU 12 4.407 -5.874 -2.417
92 HG2 GLU 12 1HG GLU 12 6.349 -5.055 -0.961
93 HG3 GLU 12 2HG GLU 12 5.315 -5.280 0.436
94 HE2 GLU 12 HE GLU 12 6.170 -6.966 1.306
95 H TYR 13 H TYR 13 1.863 -3.159 -0.452
96 HA TYR 13 HA TYR 13 3.255 -1.566 1.536
97 HB2 TYR 13 1HB TYR 13 1.229 -0.693 0.394
98 HB3 TYR 13 2HB TYR 13 0.353 -2.175 0.718
99 HD1 TYR 13 2HD TYR 13 1.706 0.911 2.256
100 HD2 TYR 13 1HD TYR 13 -0.770 -2.533 2.813
101 HE1 TYR 13 2HE TYR 13 0.762 1.925 4.388
102 HE2 TYR 13 1HE TYR 13 -1.705 -1.507 4.944
103 HH TYR 13 HH TYR 13 -0.867 0.167 6.651
104 H ASP 14 H ASP 14 3.474 -2.084 3.686
105 HA ASP 14 HA ASP 14 2.449 -4.709 4.399
106 HB2 ASP 14 1HB ASP 14 4.947 -3.284 4.864
107 HB3 ASP 14 2HB ASP 14 4.227 -3.703 6.405
108 HD2 ASP 14 HD ASP 14 4.672 -6.925 4.134
109 HA PRO 15 HA PRO 15 -0.185 -2.182 6.963
110 HB2 PRO 15 1HB PRO 15 -2.055 -4.099 7.510
111 HB3 PRO 15 2HB PRO 15 -2.127 -3.066 6.096
112 HG2 PRO 15 1HG PRO 15 -1.355 -5.914 6.272
113 HG3 PRO 15 2HG PRO 15 -1.840 -4.993 4.862
114 HD2 PRO 15 1HD PRO 15 0.829 -5.766 5.573
115 HD3 PRO 15 2HD PRO 15 0.356 -4.748 4.227
116 H ALA 16 H ALA 16 1.066 -5.328 7.771
117 HA ALA 16 HA ALA 16 0.580 -4.991 10.557
118 HB1 ALA 16 1HB ALA 16 1.404 -7.046 8.754
119 HB2 ALA 16 2HB ALA 16 2.673 -6.883 9.991
120 HB3 ALA 16 3HB ALA 16 0.990 -7.196 10.478
121 H GLU 17 H GLU 17 2.733 -3.543 8.352
122 HA GLU 17 HA GLU 17 4.688 -3.138 10.475
123 HB2 GLU 17 1HB GLU 17 5.285 -4.097 8.078
124 HB3 GLU 17 2HB GLU 17 5.189 -2.420 7.580
125 HG2 GLU 17 1HG GLU 17 7.513 -3.076 8.228
126 HG3 GLU 17 2HG GLU 17 6.897 -1.769 9.219
127 HE2 GLU 17 HE GLU 17 7.612 -3.237 11.982
128 H GLY 18 H GLY 18 3.093 -1.419 7.690
129 HA2 GLY 18 1HA GLY 18 1.827 0.583 8.242
130 HA3 GLY 18 2HA GLY 18 3.104 1.026 9.358
131 H ASP 19 H ASP 19 4.116 2.814 8.531
132 HA ASP 19 HA ASP 19 5.714 2.571 6.299
133 HB2 ASP 19 1HB ASP 19 3.181 2.903 5.405
134 HB3 ASP 19 2HB ASP 19 3.557 4.589 5.703
135 HD2 ASP 19 HD ASP 19 3.816 5.277 3.579
136 HA PRO 20 HA PRO 20 6.973 6.038 8.741
137 HB2 PRO 20 1HB PRO 20 9.483 6.338 7.704
138 HB3 PRO 20 2HB PRO 20 9.107 5.209 8.990
139 HG2 PRO 20 1HG PRO 20 9.632 4.655 6.135
140 HG3 PRO 20 2HG PRO 20 9.676 3.550 7.493
141 HD2 PRO 20 1HD PRO 20 7.596 3.774 5.532
142 HD3 PRO 20 2HD PRO 20 7.589 2.752 6.955
143 H ASP 21 H ASP 21 7.330 6.000 5.263
144 HA ASP 21 HA ASP 21 7.879 8.542 4.748
145 HB2 ASP 21 1HB ASP 21 7.079 6.482 3.233
146 HB3 ASP 21 2HB ASP 21 5.535 7.308 3.289
147 HD2 ASP 21 HD ASP 21 6.321 9.885 1.374
148 H ASN 22 H ASN 22 4.557 7.162 5.346
149 HA ASN 22 HA ASN 22 3.621 9.883 5.746
150 HB2 ASN 22 1HB ASN 22 2.244 7.254 5.065
151 HB3 ASN 22 2HB ASN 22 1.311 8.585 5.721
152 HD21 ASN 22 1HD2 ASN 22 3.577 7.681 3.160
153 HD22 ASN 22 2HD2 ASN 22 3.013 8.786 1.952
154 H GLY 23 H GLY 23 5.258 8.374 7.725
155 HA2 GLY 23 1HA GLY 23 5.197 7.509 9.833
156 HA3 GLY 23 2HA GLY 23 4.236 8.949 10.103
157 H VAL 24 H VAL 24 4.173 5.434 9.595
158 HA VAL 24 HA VAL 24 1.422 5.446 10.601
159 HB VAL 24 HB VAL 24 2.510 3.858 8.269
160 HG11 VAL 24 1HG1 VAL 24 0.312 3.292 10.127
161 HG12 VAL 24 2HG1 VAL 24 -0.202 3.334 8.423
162 HG13 VAL 24 3HG1 VAL 24 1.106 2.238 8.932
163 HG21 VAL 24 3HG2 VAL 24 0.068 5.130 7.636
164 HG22 VAL 24 1HG2 VAL 24 1.061 6.347 8.473
165 HG23 VAL 24 2HG2 VAL 24 1.695 5.522 7.028
166 H LYS 25 H LYS 25 0.899 3.649 11.954
167 HA LYS 25 HA LYS 25 3.282 2.415 13.076
168 HB2 LYS 25 1HB LYS 25 2.012 2.048 15.024
169 HB3 LYS 25 2HB LYS 25 1.568 3.651 14.476
170 HG2 LYS 25 1HG LYS 25 -0.542 2.916 13.628
171 HG3 LYS 25 2HG LYS 25 -0.049 1.234 13.600
172 HD2 LYS 25 1HD LYS 25 -0.080 1.100 16.036
173 HD3 LYS 25 2HD LYS 25 -0.294 2.833 16.187
174 HE2 LYS 25 1HE LYS 25 -2.377 1.644 14.484
175 HE3 LYS 25 2HE LYS 25 -2.340 0.889 16.065
176 HZ1 LYS 25 2HZ LYS 25 -3.607 2.712 16.558
177 HZ3 LYS 25 1HZ LYS 25 -2.976 3.653 15.389
178 HA PRO 26 HA PRO 26 2.397 -1.482 11.453
179 HB2 PRO 26 1HB PRO 26 3.272 -3.189 13.399
180 HB3 PRO 26 2HB PRO 26 4.350 -2.381 12.279
181 HG2 PRO 26 1HG PRO 26 3.860 -1.788 15.133
182 HG3 PRO 26 2HG PRO 26 5.205 -1.293 14.124
183 HD2 PRO 26 1HD PRO 26 2.986 0.330 14.943
184 HD3 PRO 26 2HD PRO 26 4.270 0.788 13.841
185 H GLY 27 H GLY 27 0.915 -3.162 11.204
186 HA2 GLY 27 1HA GLY 27 -0.815 -4.494 11.957
187 HA3 GLY 27 2HA GLY 27 -0.909 -3.572 13.444
188 H THR 28 H THR 28 -0.605 -1.369 10.877
189 HA THR 28 HA THR 28 -3.401 -0.670 11.097
190 HB THR 28 HB THR 28 -1.024 0.584 9.623
191 HG1 THR 28 1HG THR 28 -0.719 1.467 11.643
192 HG21 THR 28 3HG2 THR 28 -2.525 2.678 9.957
193 HG22 THR 28 1HG2 THR 28 -3.011 1.561 8.659
194 HG23 THR 28 2HG2 THR 28 -3.864 1.535 10.221
195 H SER 29 H SER 29 -4.749 -0.202 9.188
196 HA SER 29 HA SER 29 -4.184 -2.211 7.153
197 HB2 SER 29 1HB SER 29 -6.484 -2.635 6.968
198 HB3 SER 29 2HB SER 29 -6.299 -2.344 8.687
199 HG SER 29 HG SER 29 -8.065 -1.165 7.298
200 H PHE 30 H PHE 30 -4.201 -1.599 4.959
201 HA PHE 30 HA PHE 30 -3.631 1.023 4.334
202 HB2 PHE 30 1HB PHE 30 -3.211 -1.149 3.020
203 HB3 PHE 30 2HB PHE 30 -4.916 -1.185 2.617
204 HD1 PHE 30 2HD PHE 30 -5.842 0.917 1.377
205 HD2 PHE 30 1HD PHE 30 -1.722 -0.078 1.596
206 HE1 PHE 30 2HE PHE 30 -5.392 2.331 -0.647
207 HE2 PHE 30 1HE PHE 30 -1.273 1.336 -0.428
208 HZ PHE 30 HZ PHE 30 -3.114 2.523 -1.526
209 H ASP 31 H ASP 31 -6.741 -0.601 4.751
210 HA ASP 31 HA ASP 31 -8.207 1.235 3.209
211 HB2 ASP 31 1HB ASP 31 -8.786 -1.187 4.174
212 HB3 ASP 31 2HB ASP 31 -9.381 -0.282 5.551
213 HD2 ASP 31 HD ASP 31 -11.478 -0.392 5.335
214 H ASP 32 H ASP 32 -6.448 1.593 6.050
215 HA ASP 32 HA ASP 32 -8.346 3.527 7.123
216 HB2 ASP 32 1HB ASP 32 -6.691 1.490 8.359
217 HB3 ASP 32 2HB ASP 32 -6.161 3.058 8.935
218 HD2 ASP 32 HD ASP 32 -8.906 0.816 9.579
219 H LEU 33 H LEU 33 -5.889 3.381 5.000
220 HA LEU 33 HA LEU 33 -3.985 5.184 6.086
221 HB2 LEU 33 1HB LEU 33 -4.526 3.922 3.437
222 HB3 LEU 33 2HB LEU 33 -3.479 5.326 3.493
223 HG LEU 33 HG LEU 33 -3.046 2.781 5.082
224 HD11 LEU 33 1HD1 LEU 33 -0.962 3.021 3.284
225 HD12 LEU 33 2HD1 LEU 33 -2.350 1.916 3.148
226 HD13 LEU 33 3HD1 LEU 33 -2.385 3.494 2.327
227 HD21 LEU 33 3HD2 LEU 33 -1.310 3.744 6.120
228 HD22 LEU 33 1HD2 LEU 33 -0.792 4.623 4.662
229 HD23 LEU 33 2HD2 LEU 33 -2.100 5.276 5.677
230 HA PRO 34 HA PRO 34 -5.930 8.935 5.214
231 HB2 PRO 34 1HB PRO 34 -3.804 10.618 4.873
232 HB3 PRO 34 2HB PRO 34 -4.386 10.116 6.448
233 HG2 PRO 34 1HG PRO 34 -1.974 9.220 4.993
234 HG3 PRO 34 2HG PRO 34 -2.347 9.068 6.698
235 HD2 PRO 34 1HD PRO 34 -2.493 6.997 4.718
236 HD3 PRO 34 2HD PRO 34 -2.976 6.877 6.399
237 H ALA 35 H ALA 35 -6.557 10.549 3.665
238 HA ALA 35 HA ALA 35 -6.455 9.452 1.065
239 HB1 ALA 35 1HB ALA 35 -7.229 12.291 1.796
240 HB2 ALA 35 2HB ALA 35 -7.871 11.267 0.490
241 HB3 ALA 35 3HB ALA 35 -8.270 10.900 2.185
242 H ASP 36 H ASP 36 -4.401 11.622 2.914
243 HA ASP 36 HA ASP 36 -3.235 12.778 0.586
244 HB2 ASP 36 1HB ASP 36 -3.390 13.497 3.249
245 HB3 ASP 36 2HB ASP 36 -1.758 12.864 3.180
246 HD2 ASP 36 HD ASP 36 -2.558 16.446 1.840
247 H TRP 37 H TRP 37 -3.199 9.706 1.707
248 HA TRP 37 HA TRP 37 -0.323 9.284 1.677
249 HB2 TRP 37 1HB TRP 37 -1.748 8.190 3.374
250 HB3 TRP 37 2HB TRP 37 -2.597 7.337 2.101
251 HD1 TRP 37 HD TRP 37 0.441 7.025 4.275
252 HE1 TRP 37 1HE TRP 37 1.919 4.923 3.673
253 HE3 TRP 37 3HE TRP 37 -1.871 6.008 -0.139
254 HZ2 TRP 37 2HZ TRP 37 1.954 3.112 1.467
255 HZ3 TRP 37 3HZ TRP 37 -1.053 4.055 -1.455
256 HH2 TRP 37 HH TRP 37 0.791 2.630 -0.718
257 H VAL 38 H VAL 38 0.720 8.004 0.049
258 HA VAL 38 HA VAL 38 -0.808 6.936 -2.113
259 HB VAL 38 HB VAL 38 0.411 8.402 -3.802
260 HG11 VAL 38 1HG1 VAL 38 -2.086 8.500 -2.888
261 HG12 VAL 38 2HG1 VAL 38 -1.548 10.091 -2.297
262 HG13 VAL 38 3HG1 VAL 38 -1.460 9.709 -4.034
263 HG21 VAL 38 3HG2 VAL 38 1.998 9.677 -2.767
264 HG22 VAL 38 1HG2 VAL 38 0.637 10.820 -2.675
265 HG23 VAL 38 2HG2 VAL 38 1.060 9.825 -1.261
266 H CYS 39 H CYS 39 0.543 5.651 -3.554
267 HA CYS 39 HA CYS 39 2.386 4.139 -2.381
268 HB2 CYS 39 1HB CYS 39 1.609 3.475 -4.483
269 HB3 CYS 39 2HB CYS 39 2.099 4.971 -5.254
270 HA PRO 40 HA PRO 40 5.525 7.235 -1.781
271 HB2 PRO 40 1HB PRO 40 6.794 5.999 0.300
272 HB3 PRO 40 2HB PRO 40 5.453 7.106 0.517
273 HG2 PRO 40 1HG PRO 40 5.476 4.157 0.729
274 HG3 PRO 40 2HG PRO 40 4.291 5.293 1.343
275 HD2 PRO 40 1HD PRO 40 4.034 3.636 -0.984
276 HD3 PRO 40 2HD PRO 40 2.901 4.854 -0.435
277 H VAL 41 H VAL 41 5.735 5.782 -4.019
278 HA VAL 41 HA VAL 41 8.581 5.198 -3.933
279 HB VAL 41 HB VAL 41 6.462 3.253 -4.862
280 HG11 VAL 41 1HG1 VAL 41 8.153 3.127 -6.512
281 HG12 VAL 41 2HG1 VAL 41 9.455 3.287 -5.308
282 HG13 VAL 41 3HG1 VAL 41 8.493 1.792 -5.385
283 HG21 VAL 41 3HG2 VAL 41 6.665 2.853 -2.595
284 HG22 VAL 41 1HG2 VAL 41 7.920 1.772 -3.246
285 HG23 VAL 41 2HG2 VAL 41 8.375 3.346 -2.548
286 H CYS 42 H CYS 42 5.578 5.225 -5.979
287 HA CYS 42 HA CYS 42 7.186 6.603 -8.004
288 HB2 CYS 42 1HB CYS 42 5.999 5.593 -9.690
289 HB3 CYS 42 2HB CYS 42 6.143 4.304 -8.512
290 H GLY 43 H GLY 43 4.642 6.775 -5.661
291 HA2 GLY 43 1HA GLY 43 3.731 8.845 -5.027
292 HA3 GLY 43 2HA GLY 43 3.880 9.427 -6.673
293 H ALA 44 H ALA 44 2.846 6.359 -7.207
294 HA ALA 44 HA ALA 44 0.400 6.930 -8.162
295 HB1 ALA 44 1HB ALA 44 0.047 4.371 -7.204
296 HB2 ALA 44 2HB ALA 44 0.911 4.788 -8.703
297 HB3 ALA 44 3HB ALA 44 1.820 4.525 -7.195
298 HA PRO 45 HA PRO 45 -2.105 7.794 -4.734
299 HB2 PRO 45 1HB PRO 45 -4.570 7.625 -5.900
300 HB3 PRO 45 2HB PRO 45 -3.548 9.043 -6.022
301 HG2 PRO 45 1HG PRO 45 -4.109 6.982 -8.066
302 HG3 PRO 45 2HG PRO 45 -3.456 8.594 -8.282
303 HD2 PRO 45 1HD PRO 45 -1.993 6.127 -8.342
304 HD3 PRO 45 2HD PRO 45 -1.326 7.744 -8.443
305 H LYS 46 H LYS 46 -3.496 6.946 -3.107
306 HA LYS 46 HA LYS 46 -3.088 4.249 -2.704
307 HB2 LYS 46 1HB LYS 46 -4.527 4.472 -0.830
308 HB3 LYS 46 2HB LYS 46 -3.676 5.994 -0.997
309 HG2 LYS 46 1HG LYS 46 -5.724 6.806 -2.379
310 HG3 LYS 46 2HG LYS 46 -6.552 5.378 -1.790
311 HD2 LYS 46 1HD LYS 46 -5.177 7.301 0.126
312 HD3 LYS 46 2HD LYS 46 -6.811 7.594 -0.434
313 HE2 LYS 46 1HE LYS 46 -7.172 6.382 1.559
314 HE3 LYS 46 2HE LYS 46 -7.302 5.135 0.334
315 HZ1 LYS 46 2HZ LYS 46 -5.821 4.271 1.926
316 HZ3 LYS 46 1HZ LYS 46 -5.000 5.665 2.111
317 H SER 47 H SER 47 -5.387 5.917 -4.753
318 HA SER 47 HA SER 47 -7.238 3.773 -4.812
319 HB2 SER 47 1HB SER 47 -7.029 6.471 -5.866
320 HB3 SER 47 2HB SER 47 -7.510 5.386 -7.154
321 HG SER 47 HG SER 47 -9.164 6.420 -5.485
322 H GLU 48 H GLU 48 -4.095 4.099 -5.950
323 HA GLU 48 HA GLU 48 -4.648 2.531 -8.337
324 HB2 GLU 48 1HB GLU 48 -2.430 4.386 -7.512
325 HB3 GLU 48 2HB GLU 48 -2.018 3.064 -8.586
326 HG2 GLU 48 1HG GLU 48 -4.336 3.996 -9.770
327 HG3 GLU 48 2HG GLU 48 -3.684 5.481 -9.107
328 HE2 GLU 48 HE GLU 48 -0.948 5.627 -11.057
329 H PHE 49 H PHE 49 -4.816 1.468 -5.569
330 HA PHE 49 HA PHE 49 -2.580 -0.431 -5.719
331 HB2 PHE 49 1HB PHE 49 -3.830 1.214 -3.567
332 HB3 PHE 49 2HB PHE 49 -3.717 -0.477 -3.123
333 HD1 PHE 49 2HD PHE 49 -1.404 -1.596 -3.345
334 HD2 PHE 49 1HD PHE 49 -1.972 2.609 -3.345
335 HE1 PHE 49 2HE PHE 49 1.003 -1.271 -2.713
336 HE2 PHE 49 1HE PHE 49 0.435 2.935 -2.713
337 HZ PHE 49 HZ PHE 49 1.894 0.991 -2.405
338 H GLU 50 H GLU 50 -3.080 -2.602 -5.788
339 HA GLU 50 HA GLU 50 -5.810 -3.324 -5.135
340 HB2 GLU 50 1HB GLU 50 -6.057 -3.131 -7.477
341 HB3 GLU 50 2HB GLU 50 -4.438 -3.718 -7.801
342 HG2 GLU 50 1HG GLU 50 -5.029 -5.970 -7.470
343 HG3 GLU 50 2HG GLU 50 -6.369 -5.576 -6.411
344 HE2 GLU 50 HE GLU 50 -8.253 -6.199 -7.633
345 H ALA 51 H ALA 51 -6.060 -5.557 -4.475
346 HA ALA 51 HA ALA 51 -3.633 -6.628 -3.373
347 HB1 ALA 51 1HB ALA 51 -6.571 -7.384 -3.270
348 HB2 ALA 51 2HB ALA 51 -5.302 -8.368 -2.504
349 HB3 ALA 51 3HB ALA 51 -5.565 -6.689 -1.977
350 H ALA 52 H ALA 52 -2.264 -7.840 -4.576
351 HA ALA 52 HA ALA 52 -3.486 -9.564 -6.622
352 HB1 ALA 52 1HB ALA 52 -1.951 -8.828 -8.106
353 HB2 ALA 52 2HB ALA 52 -1.647 -7.503 -6.957
354 HB3 ALA 52 3HB ALA 52 -0.627 -8.961 -6.923
Start of MODEL 8
1 H1 MET 1 H MET 1 -8.072 -5.660 0.922
2 HA MET 1 HA MET 1 -7.958 -7.625 1.974
3 HB2 MET 1 1HB MET 1 -8.300 -9.453 0.294
4 HB3 MET 1 2HB MET 1 -9.148 -7.998 -0.192
5 HG2 MET 1 1HG MET 1 -6.643 -7.622 -1.357
6 HG3 MET 1 2HG MET 1 -6.847 -9.358 -1.485
7 HE1 MET 1 3HE MET 1 -8.849 -10.468 -2.135
8 HE2 MET 1 1HE MET 1 -10.010 -9.924 -3.370
9 HE3 MET 1 2HE MET 1 -8.330 -10.289 -3.828
10 H LYS 2 H LYS 2 -6.005 -7.631 3.209
11 HA LYS 2 HA LYS 2 -4.069 -8.458 3.875
12 HB2 LYS 2 1HB LYS 2 -4.611 -10.372 1.606
13 HB3 LYS 2 2HB LYS 2 -3.134 -10.470 2.544
14 HG2 LYS 2 1HG LYS 2 -4.234 -11.132 4.487
15 HG3 LYS 2 2HG LYS 2 -5.692 -10.239 4.101
16 HD2 LYS 2 1HD LYS 2 -5.211 -12.346 2.120
17 HD3 LYS 2 2HD LYS 2 -5.248 -13.015 3.739
18 HE2 LYS 2 1HE LYS 2 -7.392 -11.133 3.631
19 HE3 LYS 2 2HE LYS 2 -7.461 -12.019 2.121
20 HZ1 LYS 2 2HZ LYS 2 -7.379 -13.268 4.816
21 HZ3 LYS 2 1HZ LYS 2 -7.430 -14.097 3.415
22 H LYS 3 H LYS 3 -1.653 -8.981 2.899
23 HA LYS 3 HA LYS 3 -0.526 -6.705 2.194
24 HB2 LYS 3 1HB LYS 3 0.203 -9.466 1.182
25 HB3 LYS 3 2HB LYS 3 1.244 -8.066 1.028
26 HG2 LYS 3 1HG LYS 3 0.118 -8.982 3.710
27 HG3 LYS 3 2HG LYS 3 1.648 -9.562 3.084
28 HD2 LYS 3 1HD LYS 3 1.736 -6.729 2.797
29 HD3 LYS 3 2HD LYS 3 1.041 -7.016 4.380
30 HE2 LYS 3 1HE LYS 3 3.227 -8.868 4.047
31 HE3 LYS 3 2HE LYS 3 3.799 -7.286 3.559
32 HZ1 LYS 3 2HZ LYS 3 3.123 -6.391 5.678
33 HZ3 LYS 3 1HZ LYS 3 4.003 -7.725 5.990
34 H TYR 4 H TYR 4 -0.536 -5.239 0.562
35 HA TYR 4 HA TYR 4 -1.787 -6.117 -1.955
36 HB2 TYR 4 1HB TYR 4 -1.625 -3.218 -1.166
37 HB3 TYR 4 2HB TYR 4 -2.984 -4.082 -1.858
38 HD1 TYR 4 2HD TYR 4 -1.126 -3.538 1.329
39 HD2 TYR 4 1HD TYR 4 -4.777 -4.813 -0.500
40 HE1 TYR 4 2HE TYR 4 -2.252 -3.606 3.608
41 HE2 TYR 4 1HE TYR 4 -5.891 -4.877 1.785
42 HH TYR 4 HH TYR 4 -5.140 -3.397 4.195
43 H VAL 5 H VAL 5 -1.212 -4.046 -3.620
44 HA VAL 5 HA VAL 5 1.573 -3.352 -3.384
45 HB VAL 5 HB VAL 5 1.271 -5.754 -4.376
46 HG11 VAL 5 1HG1 VAL 5 0.632 -5.994 -6.568
47 HG12 VAL 5 2HG1 VAL 5 -0.422 -4.641 -6.094
48 HG13 VAL 5 3HG1 VAL 5 1.077 -4.326 -7.000
49 HG21 VAL 5 3HG2 VAL 5 3.134 -3.571 -4.907
50 HG22 VAL 5 1HG2 VAL 5 3.451 -5.291 -4.580
51 HG23 VAL 5 2HG2 VAL 5 3.086 -4.753 -6.237
52 H CYS 6 H CYS 6 2.140 -1.603 -4.781
53 HA CYS 6 HA CYS 6 0.266 0.259 -5.228
54 HB2 CYS 6 1HB CYS 6 2.506 0.906 -5.384
55 HB3 CYS 6 2HB CYS 6 2.876 -0.287 -6.613
56 H THR 7 H THR 7 1.524 -2.138 -7.664
57 HA THR 7 HA THR 7 0.453 -3.180 -9.336
58 HB THR 7 HB THR 7 -1.634 -2.602 -7.640
59 HG1 THR 7 1HG THR 7 -1.581 -4.485 -8.933
60 HG21 THR 7 3HG2 THR 7 -2.749 -1.718 -10.283
61 HG22 THR 7 1HG2 THR 7 -3.291 -1.311 -8.637
62 HG23 THR 7 2HG2 THR 7 -1.887 -0.475 -9.344
63 H VAL 8 H VAL 8 1.665 -0.282 -9.205
64 HA VAL 8 HA VAL 8 0.905 0.318 -11.973
65 HB VAL 8 HB VAL 8 1.580 2.499 -10.035
66 HG11 VAL 8 1HG1 VAL 8 0.575 3.917 -11.586
67 HG12 VAL 8 2HG1 VAL 8 1.350 2.695 -12.622
68 HG13 VAL 8 3HG1 VAL 8 -0.400 2.612 -12.304
69 HG21 VAL 8 3HG2 VAL 8 -1.236 1.441 -10.440
70 HG22 VAL 8 1HG2 VAL 8 -0.242 1.131 -8.997
71 HG23 VAL 8 2HG2 VAL 8 -0.727 2.795 -9.402
72 H CYS 9 H CYS 9 3.297 0.606 -9.286
73 HA CYS 9 HA CYS 9 5.365 0.651 -11.363
74 HB2 CYS 9 1HB CYS 9 6.678 2.131 -10.154
75 HB3 CYS 9 2HB CYS 9 5.062 2.800 -10.040
76 H GLY 10 H GLY 10 4.505 -0.177 -7.931
77 HA2 GLY 10 1HA GLY 10 4.786 -2.613 -7.470
78 HA3 GLY 10 2HA GLY 10 6.413 -2.433 -8.094
79 H TYR 11 H TYR 11 4.280 -1.964 -5.354
80 HA TYR 11 HA TYR 11 6.526 -1.570 -3.635
81 HB2 TYR 11 1HB TYR 11 6.091 0.754 -4.499
82 HB3 TYR 11 2HB TYR 11 4.382 0.583 -4.151
83 HD1 TYR 11 2HD TYR 11 7.696 0.443 -2.392
84 HD2 TYR 11 1HD TYR 11 3.551 1.483 -2.173
85 HE1 TYR 11 2HE TYR 11 8.060 1.437 -0.081
86 HE2 TYR 11 1HE TYR 11 3.930 2.474 0.138
87 HH TYR 11 HH TYR 11 6.812 1.931 1.881
88 H GLU 12 H GLU 12 5.701 -3.531 -2.712
89 HA GLU 12 HA GLU 12 3.034 -3.755 -1.925
90 HB2 GLU 12 1HB GLU 12 4.445 -5.723 -2.283
91 HB3 GLU 12 2HB GLU 12 5.544 -5.224 -1.013
92 HG2 GLU 12 1HG GLU 12 3.174 -5.229 0.378
93 HG3 GLU 12 2HG GLU 12 2.841 -6.484 -0.798
94 HE2 GLU 12 HE GLU 12 4.833 -8.452 -0.539
95 H TYR 13 H TYR 13 1.956 -3.128 -0.071
96 HA TYR 13 HA TYR 13 3.490 -1.502 1.794
97 HB2 TYR 13 1HB TYR 13 1.409 -0.569 0.886
98 HB3 TYR 13 2HB TYR 13 0.557 -2.085 1.104
99 HD1 TYR 13 1HD TYR 13 2.302 0.547 3.134
100 HD2 TYR 13 2HD TYR 13 -0.872 -2.314 2.926
101 HE1 TYR 13 1HE TYR 13 1.413 1.359 5.373
102 HE2 TYR 13 2HE TYR 13 -1.750 -1.492 5.166
103 HH TYR 13 HH TYR 13 -0.250 -0.117 7.292
104 H ASP 14 H ASP 14 3.540 -1.857 4.054
105 HA ASP 14 HA ASP 14 2.778 -4.578 4.762
106 HB2 ASP 14 1HB ASP 14 5.084 -2.803 5.454
107 HB3 ASP 14 2HB ASP 14 4.458 -3.758 6.782
108 HD2 ASP 14 HD ASP 14 7.039 -5.696 5.485
109 HA PRO 15 HA PRO 15 -0.000 -2.170 7.306
110 HB2 PRO 15 1HB PRO 15 -1.822 -4.154 7.768
111 HB3 PRO 15 2HB PRO 15 -1.900 -3.085 6.382
112 HG2 PRO 15 1HG PRO 15 -1.051 -5.914 6.495
113 HG3 PRO 15 2HG PRO 15 -1.538 -4.969 5.102
114 HD2 PRO 15 1HD PRO 15 1.140 -5.685 5.838
115 HD3 PRO 15 2HD PRO 15 0.660 -4.644 4.512
116 H ALA 16 H ALA 16 1.342 -5.293 8.048
117 HA ALA 16 HA ALA 16 0.795 -5.050 10.835
118 HB1 ALA 16 1HB ALA 16 2.983 -6.843 10.059
119 HB2 ALA 16 2HB ALA 16 1.423 -7.218 10.830
120 HB3 ALA 16 3HB ALA 16 1.529 -7.071 9.059
121 H GLU 17 H GLU 17 2.947 -3.489 8.702
122 HA GLU 17 HA GLU 17 4.820 -3.047 10.893
123 HB2 GLU 17 1HB GLU 17 5.648 -4.053 8.659
124 HB3 GLU 17 2HB GLU 17 5.350 -2.478 7.952
125 HG2 GLU 17 1HG GLU 17 7.627 -2.358 8.584
126 HG3 GLU 17 2HG GLU 17 6.810 -1.523 9.890
127 HE2 GLU 17 HE GLU 17 9.321 -3.123 9.981
128 H GLY 18 H GLY 18 3.303 -1.397 8.025
129 HA2 GLY 18 1HA GLY 18 1.966 0.587 8.568
130 HA3 GLY 18 2HA GLY 18 3.262 1.087 9.636
131 H ASP 19 H ASP 19 4.016 2.956 8.659
132 HA ASP 19 HA ASP 19 5.631 2.638 6.407
133 HB2 ASP 19 1HB ASP 19 3.028 2.931 5.638
134 HB3 ASP 19 2HB ASP 19 3.460 4.621 5.802
135 HD2 ASP 19 HD ASP 19 3.379 2.141 3.816
136 HA PRO 20 HA PRO 20 6.777 6.167 8.876
137 HB2 PRO 20 1HB PRO 20 9.430 6.184 8.224
138 HB3 PRO 20 2HB PRO 20 8.773 5.231 9.539
139 HG2 PRO 20 1HG PRO 20 9.674 4.335 6.870
140 HG3 PRO 20 2HG PRO 20 9.423 3.384 8.320
141 HD2 PRO 20 1HD PRO 20 7.687 3.530 6.042
142 HD3 PRO 20 2HD PRO 20 7.381 2.672 7.539
143 H ASP 21 H ASP 21 7.611 5.721 5.514
144 HA ASP 21 HA ASP 21 8.500 8.052 4.752
145 HB2 ASP 21 1HB ASP 21 7.435 5.992 3.419
146 HB3 ASP 21 2HB ASP 21 6.042 7.049 3.299
147 HD2 ASP 21 HD ASP 21 8.731 7.360 0.630
148 H ASN 22 H ASN 22 5.033 7.313 5.535
149 HA ASN 22 HA ASN 22 4.470 10.154 5.355
150 HB2 ASN 22 1HB ASN 22 2.870 7.634 5.064
151 HB3 ASN 22 2HB ASN 22 2.033 8.956 5.854
152 HD21 ASN 22 1HD2 ASN 22 4.188 8.346 3.085
153 HD22 ASN 22 2HD2 ASN 22 3.382 9.374 1.947
154 H GLY 23 H GLY 23 4.102 7.203 7.436
155 HA2 GLY 23 1HA GLY 23 4.775 7.609 9.794
156 HA3 GLY 23 2HA GLY 23 3.676 8.975 9.768
157 H VAL 24 H VAL 24 3.873 5.393 9.446
158 HA VAL 24 HA VAL 24 1.137 5.285 10.491
159 HB VAL 24 HB VAL 24 2.313 3.818 8.136
160 HG11 VAL 24 1HG1 VAL 24 1.225 2.218 9.749
161 HG12 VAL 24 2HG1 VAL 24 -0.295 3.114 9.515
162 HG13 VAL 24 3HG1 VAL 24 0.471 2.284 8.139
163 HG21 VAL 24 3HG2 VAL 24 1.103 5.275 6.961
164 HG22 VAL 24 1HG2 VAL 24 -0.375 4.662 7.739
165 HG23 VAL 24 2HG2 VAL 24 0.511 6.025 8.463
166 H LYS 25 H LYS 25 0.741 3.573 11.961
167 HA LYS 25 HA LYS 25 3.189 2.485 13.082
168 HB2 LYS 25 1HB LYS 25 2.057 2.304 15.075
169 HB3 LYS 25 2HB LYS 25 1.264 3.695 14.365
170 HG2 LYS 25 1HG LYS 25 -0.284 1.683 13.319
171 HG3 LYS 25 2HG LYS 25 0.206 0.935 14.826
172 HD2 LYS 25 1HD LYS 25 -0.705 2.765 16.138
173 HD3 LYS 25 2HD LYS 25 -0.937 3.759 14.714
174 HE2 LYS 25 1HE LYS 25 -2.299 1.114 14.581
175 HE3 LYS 25 2HE LYS 25 -2.888 2.158 15.859
176 HZ1 LYS 25 2HZ LYS 25 -3.305 2.411 13.062
177 HZ3 LYS 25 1HZ LYS 25 -2.637 3.782 13.632
178 HA PRO 26 HA PRO 26 2.461 -1.542 11.710
179 HB2 PRO 26 1HB PRO 26 3.230 -3.122 13.802
180 HB3 PRO 26 2HB PRO 26 4.367 -2.356 12.712
181 HG2 PRO 26 1HG PRO 26 3.678 -1.616 15.489
182 HG3 PRO 26 2HG PRO 26 5.080 -1.153 14.546
183 HD2 PRO 26 1HD PRO 26 2.788 0.471 15.123
184 HD3 PRO 26 2HD PRO 26 4.135 0.891 14.085
185 H GLY 27 H GLY 27 0.981 -3.189 11.407
186 HA2 GLY 27 1HA GLY 27 -0.760 -4.538 12.146
187 HA3 GLY 27 2HA GLY 27 -0.976 -3.522 13.557
188 H THR 28 H THR 28 -0.624 -1.146 11.419
189 HA THR 28 HA THR 28 -3.374 -0.585 11.233
190 HB THR 28 HB THR 28 -0.878 0.559 9.878
191 HG1 THR 28 1HG THR 28 -1.583 2.213 11.621
192 HG21 THR 28 3HG2 THR 28 -2.197 2.531 9.364
193 HG22 THR 28 1HG2 THR 28 -3.100 1.148 8.700
194 HG23 THR 28 2HG2 THR 28 -3.608 1.887 10.237
195 H SER 29 H SER 29 -4.615 -0.183 9.217
196 HA SER 29 HA SER 29 -3.977 -2.305 7.321
197 HB2 SER 29 1HB SER 29 -6.240 -2.829 7.133
198 HB3 SER 29 2HB SER 29 -6.150 -2.360 8.819
199 HG SER 29 HG SER 29 -7.785 -1.345 7.032
200 H PHE 30 H PHE 30 -4.252 -1.847 5.044
201 HA PHE 30 HA PHE 30 -3.561 0.736 4.291
202 HB2 PHE 30 1HB PHE 30 -3.314 -1.572 3.100
203 HB3 PHE 30 2HB PHE 30 -5.006 -1.435 2.662
204 HD1 PHE 30 1HD PHE 30 -5.704 0.604 1.267
205 HD2 PHE 30 2HD PHE 30 -1.664 -0.596 1.760
206 HE1 PHE 30 1HE PHE 30 -5.067 1.903 -0.785
207 HE2 PHE 30 2HE PHE 30 -1.027 0.702 -0.291
208 HZ PHE 30 HZ PHE 30 -2.737 1.936 -1.539
209 H ASP 31 H ASP 31 -6.656 -0.639 5.108
210 HA ASP 31 HA ASP 31 -8.163 1.086 3.446
211 HB2 ASP 31 1HB ASP 31 -8.765 -1.222 4.651
212 HB3 ASP 31 2HB ASP 31 -9.242 -0.178 5.976
213 HD2 ASP 31 HD ASP 31 -10.711 -1.480 3.085
214 H ASP 32 H ASP 32 -6.544 1.241 6.555
215 HA ASP 32 HA ASP 32 -8.173 3.481 7.393
216 HB2 ASP 32 1HB ASP 32 -6.693 1.403 8.728
217 HB3 ASP 32 2HB ASP 32 -5.950 2.927 9.168
218 HD2 ASP 32 HD ASP 32 -9.289 1.941 8.751
219 H LEU 33 H LEU 33 -5.708 3.013 5.286
220 HA LEU 33 HA LEU 33 -3.754 4.848 6.256
221 HB2 LEU 33 1HB LEU 33 -4.229 3.303 3.743
222 HB3 LEU 33 2HB LEU 33 -3.106 4.649 3.709
223 HG LEU 33 HG LEU 33 -2.924 2.200 5.485
224 HD11 LEU 33 1HD1 LEU 33 -0.661 2.705 3.752
225 HD12 LEU 33 2HD1 LEU 33 -1.676 1.251 3.913
226 HD13 LEU 33 3HD1 LEU 33 -2.168 2.563 2.815
227 HD21 LEU 33 3HD2 LEU 33 -0.613 3.198 5.999
228 HD22 LEU 33 1HD2 LEU 33 -1.296 4.736 5.419
229 HD23 LEU 33 2HD2 LEU 33 -2.031 3.905 6.811
230 HA PRO 34 HA PRO 34 -5.519 8.520 4.837
231 HB2 PRO 34 1HB PRO 34 -3.318 10.084 4.414
232 HB3 PRO 34 2HB PRO 34 -3.998 9.797 6.003
233 HG2 PRO 34 1HG PRO 34 -1.549 8.656 4.802
234 HG3 PRO 34 2HG PRO 34 -2.014 8.725 6.490
235 HD2 PRO 34 1HD PRO 34 -2.135 6.434 4.769
236 HD3 PRO 34 2HD PRO 34 -2.707 6.534 6.422
237 H ALA 35 H ALA 35 -5.904 10.036 3.073
238 HA ALA 35 HA ALA 35 -5.698 8.593 0.623
239 HB1 ALA 35 1HB ALA 35 -6.916 10.538 -0.281
240 HB2 ALA 35 2HB ALA 35 -7.655 9.975 1.237
241 HB3 ALA 35 3HB ALA 35 -6.629 11.429 1.233
242 H ASP 36 H ASP 36 -3.870 11.123 2.302
243 HA ASP 36 HA ASP 36 -2.495 11.883 -0.078
244 HB2 ASP 36 1HB ASP 36 -1.787 12.480 2.832
245 HB3 ASP 36 2HB ASP 36 -1.193 13.339 1.425
246 HD2 ASP 36 HD ASP 36 -3.276 14.851 0.380
247 H TRP 37 H TRP 37 -2.493 9.044 1.411
248 HA TRP 37 HA TRP 37 0.253 8.721 2.156
249 HB2 TRP 37 1HB TRP 37 -1.460 7.456 3.282
250 HB3 TRP 37 2HB TRP 37 -2.017 6.765 1.771
251 HD1 TRP 37 HD TRP 37 0.959 6.502 4.228
252 HE1 TRP 37 1HE TRP 37 2.271 4.237 3.889
253 HE3 TRP 37 3HE TRP 37 -1.575 5.047 0.067
254 HZ2 TRP 37 2HZ TRP 37 2.106 2.139 1.962
255 HZ3 TRP 37 3HZ TRP 37 -0.938 2.877 -0.982
256 HH2 TRP 37 HH TRP 37 0.833 1.441 -0.101
257 H VAL 38 H VAL 38 -1.898 7.526 -0.528
258 HA VAL 38 HA VAL 38 -1.370 6.599 -2.489
259 HB VAL 38 HB VAL 38 -0.067 8.092 -3.939
260 HG11 VAL 38 1HG1 VAL 38 -1.692 9.705 -4.029
261 HG12 VAL 38 2HG1 VAL 38 -2.501 8.540 -2.953
262 HG13 VAL 38 3HG1 VAL 38 -1.689 9.969 -2.269
263 HG21 VAL 38 3HG2 VAL 38 1.674 8.688 -2.250
264 HG22 VAL 38 1HG2 VAL 38 0.997 10.094 -3.107
265 HG23 VAL 38 2HG2 VAL 38 0.478 9.731 -1.443
266 H CYS 39 H CYS 39 1.008 6.514 -4.039
267 HA CYS 39 HA CYS 39 2.500 4.619 -2.413
268 HB2 CYS 39 1HB CYS 39 1.763 3.614 -4.390
269 HB3 CYS 39 2HB CYS 39 2.149 5.014 -5.371
270 HA PRO 40 HA PRO 40 5.501 7.867 -2.249
271 HB2 PRO 40 1HB PRO 40 7.037 6.793 -0.260
272 HB3 PRO 40 2HB PRO 40 5.638 7.802 0.049
273 HG2 PRO 40 1HG PRO 40 5.908 4.872 0.328
274 HG3 PRO 40 2HG PRO 40 4.696 5.933 1.017
275 HD2 PRO 40 1HD PRO 40 4.368 4.192 -1.238
276 HD3 PRO 40 2HD PRO 40 3.196 5.338 -0.620
277 H VAL 41 H VAL 41 5.611 6.302 -4.446
278 HA VAL 41 HA VAL 41 8.496 5.978 -4.618
279 HB VAL 41 HB VAL 41 6.666 3.815 -5.633
280 HG11 VAL 41 1HG1 VAL 41 8.591 2.581 -6.017
281 HG12 VAL 41 2HG1 VAL 41 9.143 4.234 -6.382
282 HG13 VAL 41 3HG1 VAL 41 9.543 3.487 -4.816
283 HG21 VAL 41 3HG2 VAL 41 8.110 3.790 -2.962
284 HG22 VAL 41 1HG2 VAL 41 6.359 4.031 -3.171
285 HG23 VAL 41 2HG2 VAL 41 7.110 2.491 -3.654
286 H CYS 42 H CYS 42 5.367 5.526 -6.419
287 HA CYS 42 HA CYS 42 6.642 6.919 -8.651
288 HB2 CYS 42 1HB CYS 42 5.147 5.845 -10.114
289 HB3 CYS 42 2HB CYS 42 5.756 4.610 -9.030
290 H GLY 43 H GLY 43 3.578 6.613 -6.722
291 HA2 GLY 43 1HA GLY 43 2.967 9.000 -5.943
292 HA3 GLY 43 2HA GLY 43 2.757 9.276 -7.661
293 H ALA 44 H ALA 44 1.757 6.623 -8.373
294 HA ALA 44 HA ALA 44 -0.814 6.786 -8.480
295 HB1 ALA 44 1HB ALA 44 -0.944 4.280 -8.097
296 HB2 ALA 44 2HB ALA 44 0.320 4.803 -9.235
297 HB3 ALA 44 3HB ALA 44 0.755 4.345 -7.571
298 HA PRO 45 HA PRO 45 -2.427 7.300 -4.484
299 HB2 PRO 45 1HB PRO 45 -5.092 7.160 -5.076
300 HB3 PRO 45 2HB PRO 45 -4.141 8.618 -5.276
301 HG2 PRO 45 1HG PRO 45 -5.128 6.751 -7.344
302 HG3 PRO 45 2HG PRO 45 -4.561 8.398 -7.533
303 HD2 PRO 45 1HD PRO 45 -3.121 6.004 -8.178
304 HD3 PRO 45 2HD PRO 45 -2.513 7.645 -8.257
305 H LYS 46 H LYS 46 -3.551 6.267 -2.710
306 HA LYS 46 HA LYS 46 -2.986 3.543 -2.690
307 HB2 LYS 46 1HB LYS 46 -3.671 3.601 -0.505
308 HB3 LYS 46 2HB LYS 46 -3.352 5.302 -0.774
309 HG2 LYS 46 1HG LYS 46 -5.883 5.428 -1.500
310 HG3 LYS 46 2HG LYS 46 -6.035 3.884 -0.685
311 HD2 LYS 46 1HD LYS 46 -4.722 6.238 0.717
312 HD3 LYS 46 2HD LYS 46 -6.468 6.092 0.678
313 HE2 LYS 46 1HE LYS 46 -4.831 3.693 1.525
314 HE3 LYS 46 2HE LYS 46 -5.051 5.006 2.665
315 HZ1 LYS 46 2HZ LYS 46 -6.809 3.120 2.564
316 HZ3 LYS 46 1HZ LYS 46 -7.407 3.912 1.273
317 H SER 47 H SER 47 -5.607 5.323 -4.101
318 HA SER 47 HA SER 47 -7.516 3.252 -3.879
319 HB2 SER 47 1HB SER 47 -7.346 5.953 -5.015
320 HB3 SER 47 2HB SER 47 -8.227 4.872 -6.076
321 HG SER 47 HG SER 47 -8.938 4.573 -3.387
322 H GLU 48 H GLU 48 -4.686 3.747 -5.778
323 HA GLU 48 HA GLU 48 -5.725 2.083 -7.918
324 HB2 GLU 48 1HB GLU 48 -3.275 3.862 -7.666
325 HB3 GLU 48 2HB GLU 48 -3.422 2.696 -8.966
326 HG2 GLU 48 1HG GLU 48 -5.902 3.930 -9.063
327 HG3 GLU 48 2HG GLU 48 -4.880 5.256 -8.548
328 HE2 GLU 48 HE GLU 48 -2.640 3.830 -10.892
329 H PHE 49 H PHE 49 -5.223 1.009 -5.222
330 HA PHE 49 HA PHE 49 -2.914 -0.705 -5.809
331 HB2 PHE 49 1HB PHE 49 -4.157 0.568 -3.363
332 HB3 PHE 49 2HB PHE 49 -3.510 -1.043 -3.131
333 HD1 PHE 49 2HD PHE 49 -2.461 2.168 -4.737
334 HD2 PHE 49 1HD PHE 49 -1.340 -1.181 -2.385
335 HE1 PHE 49 2HE PHE 49 -0.160 3.132 -4.461
336 HE2 PHE 49 1HE PHE 49 0.961 -0.218 -2.109
337 HZ PHE 49 HZ PHE 49 1.523 1.928 -3.151
338 H GLU 50 H GLU 50 -3.118 -2.981 -5.514
339 HA GLU 50 HA GLU 50 -5.662 -3.987 -4.681
340 HB2 GLU 50 1HB GLU 50 -6.354 -3.752 -6.913
341 HB3 GLU 50 2HB GLU 50 -4.755 -4.063 -7.558
342 HG2 GLU 50 1HG GLU 50 -4.947 -6.397 -7.306
343 HG3 GLU 50 2HG GLU 50 -6.128 -6.269 -6.018
344 HE2 GLU 50 HE GLU 50 -8.781 -5.555 -7.955
345 H ALA 51 H ALA 51 -5.547 -6.208 -4.031
346 HA ALA 51 HA ALA 51 -3.067 -7.060 -3.139
347 HB1 ALA 51 1HB ALA 51 -4.572 -8.250 -1.960
348 HB2 ALA 51 2HB ALA 51 -5.835 -7.986 -3.186
349 HB3 ALA 51 3HB ALA 51 -4.693 -9.339 -3.363
350 H ALA 52 H ALA 52 -1.346 -7.933 -4.174
351 HA ALA 52 HA ALA 52 -1.733 -9.807 -6.292
352 HB1 ALA 52 1HB ALA 52 -1.220 -6.956 -6.879
353 HB2 ALA 52 2HB ALA 52 -0.070 -8.077 -7.647
354 HB3 ALA 52 3HB ALA 52 -1.816 -8.254 -7.942
Start of MODEL 9
1 H1 MET 1 H MET 1 -1.710 -10.196 7.729
2 HA MET 1 HA MET 1 -3.628 -11.020 7.095
3 HB2 MET 1 1HB MET 1 -4.073 -8.014 7.040
4 HB3 MET 1 2HB MET 1 -5.391 -9.059 6.548
5 HG2 MET 1 1HG MET 1 -5.468 -10.154 8.701
6 HG3 MET 1 2HG MET 1 -3.917 -9.494 9.179
7 HE1 MET 1 3HE MET 1 -3.757 -8.247 10.709
8 HE2 MET 1 1HE MET 1 -4.132 -6.513 10.571
9 HE3 MET 1 2HE MET 1 -5.122 -7.557 11.618
10 H LYS 2 H LYS 2 -3.197 -8.162 4.874
11 HA LYS 2 HA LYS 2 -3.246 -9.998 2.626
12 HB2 LYS 2 1HB LYS 2 -4.961 -8.524 1.480
13 HB3 LYS 2 2HB LYS 2 -5.561 -9.588 2.736
14 HG2 LYS 2 1HG LYS 2 -5.108 -7.483 4.316
15 HG3 LYS 2 2HG LYS 2 -5.188 -6.587 2.812
16 HD2 LYS 2 1HD LYS 2 -7.410 -8.107 2.482
17 HD3 LYS 2 2HD LYS 2 -7.355 -8.115 4.233
18 HE2 LYS 2 1HE LYS 2 -6.837 -5.414 3.348
19 HE3 LYS 2 2HE LYS 2 -8.247 -5.999 2.487
20 HZ1 LYS 2 2HZ LYS 2 -7.988 -6.304 5.424
21 HZ3 LYS 2 1HZ LYS 2 -9.342 -6.457 4.532
22 H LYS 3 H LYS 3 -1.466 -9.513 1.471
23 HA LYS 3 HA LYS 3 -0.373 -6.833 1.735
24 HB2 LYS 3 1HB LYS 3 0.764 -9.365 0.513
25 HB3 LYS 3 2HB LYS 3 1.610 -7.835 0.622
26 HG2 LYS 3 1HG LYS 3 0.448 -9.229 3.072
27 HG3 LYS 3 2HG LYS 3 2.074 -9.545 2.499
28 HD2 LYS 3 1HD LYS 3 1.087 -6.725 3.107
29 HD3 LYS 3 2HD LYS 3 1.817 -7.741 4.333
30 HE2 LYS 3 1HE LYS 3 3.702 -6.599 3.554
31 HE3 LYS 3 2HE LYS 3 3.764 -8.033 2.547
32 HZ1 LYS 3 2HZ LYS 3 2.107 -6.086 1.324
33 HZ3 LYS 3 1HZ LYS 3 3.479 -6.745 0.745
34 H TYR 4 H TYR 4 -0.662 -5.275 0.230
35 HA TYR 4 HA TYR 4 -1.869 -6.117 -2.305
36 HB2 TYR 4 1HB TYR 4 -1.541 -3.246 -1.397
37 HB3 TYR 4 2HB TYR 4 -2.925 -3.984 -2.177
38 HD1 TYR 4 1HD TYR 4 -1.248 -3.376 1.043
39 HD2 TYR 4 2HD TYR 4 -4.666 -5.092 -0.875
40 HE1 TYR 4 1HE TYR 4 -2.434 -3.538 3.286
41 HE2 TYR 4 2HE TYR 4 -5.841 -5.248 1.375
42 HH TYR 4 HH TYR 4 -4.469 -5.272 4.124
43 H VAL 5 H VAL 5 -1.308 -3.901 -3.886
44 HA VAL 5 HA VAL 5 1.479 -3.302 -3.823
45 HB VAL 5 HB VAL 5 0.583 -5.666 -5.201
46 HG11 VAL 5 1HG1 VAL 5 1.786 -3.489 -6.940
47 HG12 VAL 5 2HG1 VAL 5 1.721 -5.212 -7.382
48 HG13 VAL 5 3HG1 VAL 5 0.213 -4.295 -7.150
49 HG21 VAL 5 3HG2 VAL 5 2.567 -5.731 -3.907
50 HG22 VAL 5 1HG2 VAL 5 3.095 -5.854 -5.602
51 HG23 VAL 5 2HG2 VAL 5 3.248 -4.309 -4.732
52 H CYS 6 H CYS 6 2.055 -1.761 -5.562
53 HA CYS 6 HA CYS 6 -0.231 -0.132 -6.158
54 HB2 CYS 6 1HB CYS 6 1.608 1.094 -5.422
55 HB3 CYS 6 2HB CYS 6 2.742 0.197 -6.412
56 H THR 7 H THR 7 -0.889 0.456 -8.338
57 HA THR 7 HA THR 7 -0.512 -1.691 -10.220
58 HB THR 7 HB THR 7 -2.198 -0.295 -11.511
59 HG1 THR 7 1HG THR 7 -2.460 1.783 -10.754
60 HG21 THR 7 3HG2 THR 7 -3.956 -0.175 -9.576
61 HG22 THR 7 1HG2 THR 7 -3.301 -1.780 -9.981
62 HG23 THR 7 2HG2 THR 7 -2.685 -0.900 -8.562
63 H VAL 8 H VAL 8 0.092 1.889 -10.270
64 HA VAL 8 HA VAL 8 1.313 2.011 -12.703
65 HB VAL 8 HB VAL 8 2.062 3.524 -10.193
66 HG11 VAL 8 1HG1 VAL 8 3.117 3.637 -12.829
67 HG12 VAL 8 2HG1 VAL 8 2.128 5.099 -12.595
68 HG13 VAL 8 3HG1 VAL 8 3.448 4.726 -11.460
69 HG21 VAL 8 3HG2 VAL 8 0.393 5.218 -11.213
70 HG22 VAL 8 1HG2 VAL 8 -0.228 3.828 -12.136
71 HG23 VAL 8 2HG2 VAL 8 -0.259 3.799 -10.357
72 H CYS 9 H CYS 9 3.230 2.003 -9.619
73 HA CYS 9 HA CYS 9 5.335 0.653 -11.105
74 HB2 CYS 9 1HB CYS 9 6.858 1.526 -9.628
75 HB3 CYS 9 2HB CYS 9 5.666 2.806 -9.729
76 H GLY 10 H GLY 10 6.653 -0.606 -8.915
77 HA2 GLY 10 1HA GLY 10 4.639 -2.619 -8.103
78 HA3 GLY 10 2HA GLY 10 6.289 -2.995 -8.559
79 H TYR 11 H TYR 11 4.174 -1.648 -6.047
80 HA TYR 11 HA TYR 11 6.376 -1.970 -4.149
81 HB2 TYR 11 1HB TYR 11 6.328 0.425 -4.560
82 HB3 TYR 11 2HB TYR 11 4.590 0.430 -4.784
83 HD1 TYR 11 2HD TYR 11 6.961 -0.585 -2.043
84 HD2 TYR 11 1HD TYR 11 3.421 1.555 -3.137
85 HE1 TYR 11 2HE TYR 11 6.646 0.143 0.372
86 HE2 TYR 11 1HE TYR 11 3.118 2.276 -0.718
87 HH TYR 11 HH TYR 11 3.884 1.200 1.589
88 H GLU 12 H GLU 12 5.702 -3.443 -2.678
89 HA GLU 12 HA GLU 12 2.858 -3.718 -2.286
90 HB2 GLU 12 1HB GLU 12 3.417 -5.822 -1.162
91 HB3 GLU 12 2HB GLU 12 4.247 -5.739 -2.702
92 HG2 GLU 12 1HG GLU 12 6.332 -5.003 -1.572
93 HG3 GLU 12 2HG GLU 12 5.511 -4.987 -0.024
94 HE2 GLU 12 HE GLU 12 6.370 -7.040 -2.620
95 H TYR 13 H TYR 13 1.772 -3.100 -0.432
96 HA TYR 13 HA TYR 13 3.359 -1.660 1.539
97 HB2 TYR 13 1HB TYR 13 1.369 -0.557 0.604
98 HB3 TYR 13 2HB TYR 13 0.410 -2.014 0.765
99 HD1 TYR 13 1HD TYR 13 2.445 0.178 3.048
100 HD2 TYR 13 2HD TYR 13 -1.218 -1.936 2.404
101 HE1 TYR 13 1HE TYR 13 1.571 0.993 5.293
102 HE2 TYR 13 2HE TYR 13 -2.079 -1.115 4.650
103 HH TYR 13 HH TYR 13 -0.326 -0.116 6.994
104 H ASP 14 H ASP 14 3.394 -2.148 3.757
105 HA ASP 14 HA ASP 14 2.359 -4.807 4.345
106 HB2 ASP 14 1HB ASP 14 4.943 -3.785 4.614
107 HB3 ASP 14 2HB ASP 14 4.306 -3.610 6.238
108 HD2 ASP 14 HD ASP 14 4.192 -6.586 7.187
109 HA PRO 15 HA PRO 15 -0.163 -2.264 7.014
110 HB2 PRO 15 1HB PRO 15 -2.149 -4.095 7.431
111 HB3 PRO 15 2HB PRO 15 -2.145 -2.976 6.082
112 HG2 PRO 15 1HG PRO 15 -1.547 -5.871 6.091
113 HG3 PRO 15 2HG PRO 15 -1.961 -4.840 4.736
114 HD2 PRO 15 1HD PRO 15 0.650 -5.813 5.416
115 HD3 PRO 15 2HD PRO 15 0.252 -4.690 4.131
116 H ALA 16 H ALA 16 1.059 -5.440 7.617
117 HA ALA 16 HA ALA 16 0.479 -5.343 10.408
118 HB1 ALA 16 1HB ALA 16 0.649 -7.516 9.631
119 HB2 ALA 16 2HB ALA 16 1.969 -7.126 8.503
120 HB3 ALA 16 3HB ALA 16 2.302 -7.278 10.245
121 H GLU 17 H GLU 17 2.590 -3.596 8.443
122 HA GLU 17 HA GLU 17 4.439 -3.299 10.681
123 HB2 GLU 17 1HB GLU 17 5.346 -4.304 8.476
124 HB3 GLU 17 2HB GLU 17 5.119 -2.715 7.774
125 HG2 GLU 17 1HG GLU 17 7.429 -2.926 8.578
126 HG3 GLU 17 2HG GLU 17 6.590 -1.721 9.534
127 HE2 GLU 17 HE GLU 17 8.200 -4.529 9.540
128 H GLY 18 H GLY 18 2.890 -1.644 7.849
129 HA2 GLY 18 1HA GLY 18 1.636 0.371 8.344
130 HA3 GLY 18 2HA GLY 18 2.915 0.848 9.443
131 H ASP 19 H ASP 19 3.620 2.750 8.457
132 HA ASP 19 HA ASP 19 5.296 2.404 6.227
133 HB2 ASP 19 1HB ASP 19 2.919 2.612 5.218
134 HB3 ASP 19 2HB ASP 19 2.916 4.263 5.808
135 HD2 ASP 19 HD ASP 19 5.232 2.306 4.241
136 HA PRO 20 HA PRO 20 6.526 5.847 8.779
137 HB2 PRO 20 1HB PRO 20 9.189 5.780 8.169
138 HB3 PRO 20 2HB PRO 20 8.477 4.831 9.459
139 HG2 PRO 20 1HG PRO 20 9.389 3.942 6.791
140 HG3 PRO 20 2HG PRO 20 9.081 2.980 8.223
141 HD2 PRO 20 1HD PRO 20 7.387 3.220 5.921
142 HD3 PRO 20 2HD PRO 20 7.028 2.352 7.400
143 H ASP 21 H ASP 21 7.386 5.419 5.422
144 HA ASP 21 HA ASP 21 8.375 7.721 4.702
145 HB2 ASP 21 1HB ASP 21 7.277 5.738 3.314
146 HB3 ASP 21 2HB ASP 21 5.886 6.801 3.234
147 HD2 ASP 21 HD ASP 21 7.241 9.285 2.625
148 H ASN 22 H ASN 22 4.904 7.117 5.540
149 HA ASN 22 HA ASN 22 4.460 9.987 5.383
150 HB2 ASN 22 1HB ASN 22 2.750 7.557 4.985
151 HB3 ASN 22 2HB ASN 22 1.961 8.888 5.809
152 HD21 ASN 22 1HD2 ASN 22 4.072 8.214 3.026
153 HD22 ASN 22 2HD2 ASN 22 3.350 9.337 1.922
154 H GLY 23 H GLY 23 3.843 6.996 7.356
155 HA2 GLY 23 1HA GLY 23 4.529 7.323 9.746
156 HA3 GLY 23 2HA GLY 23 3.460 8.712 9.734
157 H VAL 24 H VAL 24 3.591 5.137 9.326
158 HA VAL 24 HA VAL 24 0.827 5.061 10.299
159 HB VAL 24 HB VAL 24 2.033 3.684 7.913
160 HG11 VAL 24 1HG1 VAL 24 0.221 2.104 7.846
161 HG12 VAL 24 2HG1 VAL 24 1.014 1.969 9.434
162 HG13 VAL 24 3HG1 VAL 24 -0.536 2.830 9.283
163 HG21 VAL 24 3HG2 VAL 24 -0.718 4.904 8.165
164 HG22 VAL 24 1HG2 VAL 24 0.715 5.905 7.830
165 HG23 VAL 24 2HG2 VAL 24 0.252 4.609 6.702
166 H LYS 25 H LYS 25 0.421 3.483 11.850
167 HA LYS 25 HA LYS 25 2.789 2.293 12.985
168 HB2 LYS 25 1HB LYS 25 -0.058 2.692 13.846
169 HB3 LYS 25 2HB LYS 25 0.909 1.468 14.644
170 HG2 LYS 25 1HG LYS 25 2.606 3.112 15.274
171 HG3 LYS 25 2HG LYS 25 1.851 4.349 14.289
172 HD2 LYS 25 1HD LYS 25 -0.074 3.197 16.183
173 HD3 LYS 25 2HD LYS 25 1.340 3.806 17.020
174 HE2 LYS 25 1HE LYS 25 0.511 5.689 14.939
175 HE3 LYS 25 2HE LYS 25 -0.838 5.324 15.997
176 HZ1 LYS 25 2HZ LYS 25 1.788 5.960 17.179
177 HZ3 LYS 25 1HZ LYS 25 0.311 6.143 17.840
178 HA PRO 26 HA PRO 26 2.164 -1.694 11.460
179 HB2 PRO 26 1HB PRO 26 2.938 -3.315 13.519
180 HB3 PRO 26 2HB PRO 26 4.074 -2.498 12.465
181 HG2 PRO 26 1HG PRO 26 3.334 -1.848 15.252
182 HG3 PRO 26 2HG PRO 26 4.739 -1.331 14.340
183 HD2 PRO 26 1HD PRO 26 2.406 0.230 14.931
184 HD3 PRO 26 2HD PRO 26 3.758 0.706 13.922
185 H GLY 27 H GLY 27 0.750 -3.407 11.124
186 HA2 GLY 27 1HA GLY 27 -0.998 -4.775 11.741
187 HA3 GLY 27 2HA GLY 27 -1.209 -3.873 13.229
188 H THR 28 H THR 28 -0.895 -1.365 11.199
189 HA THR 28 HA THR 28 -3.681 -0.854 11.093
190 HB THR 28 HB THR 28 -1.272 0.526 9.794
191 HG1 THR 28 1HG THR 28 -2.850 1.080 12.199
192 HG21 THR 28 3HG2 THR 28 -4.188 1.272 10.165
193 HG22 THR 28 1HG2 THR 28 -2.946 2.538 10.318
194 HG23 THR 28 2HG2 THR 28 -3.108 1.630 8.796
195 H SER 29 H SER 29 -4.968 -0.386 9.164
196 HA SER 29 HA SER 29 -4.259 -2.303 7.093
197 HB2 SER 29 1HB SER 29 -6.541 -2.703 6.755
198 HB3 SER 29 2HB SER 29 -6.478 -2.426 8.485
199 HG SER 29 HG SER 29 -8.180 -1.175 7.676
200 H PHE 30 H PHE 30 -4.903 -1.681 4.802
201 HA PHE 30 HA PHE 30 -3.900 0.891 4.219
202 HB2 PHE 30 1HB PHE 30 -3.842 -1.337 2.865
203 HB3 PHE 30 2HB PHE 30 -5.529 -1.057 2.485
204 HD1 PHE 30 1HD PHE 30 -6.095 1.186 1.310
205 HD2 PHE 30 2HD PHE 30 -2.183 -0.450 1.493
206 HE1 PHE 30 1HE PHE 30 -5.419 2.580 -0.666
207 HE2 PHE 30 2HE PHE 30 -1.508 0.943 -0.482
208 HZ PHE 30 HZ PHE 30 -3.133 2.442 -1.538
209 H ASP 31 H ASP 31 -7.047 -0.285 5.083
210 HA ASP 31 HA ASP 31 -8.497 1.597 3.552
211 HB2 ASP 31 1HB ASP 31 -9.040 -0.631 5.303
212 HB3 ASP 31 2HB ASP 31 -9.948 0.742 5.904
213 HD2 ASP 31 HD ASP 31 -11.855 1.435 3.898
214 H ASP 32 H ASP 32 -6.741 1.537 6.594
215 HA ASP 32 HA ASP 32 -8.154 3.865 7.565
216 HB2 ASP 32 1HB ASP 32 -7.122 1.677 8.868
217 HB3 ASP 32 2HB ASP 32 -5.774 2.785 9.026
218 HD2 ASP 32 HD ASP 32 -8.824 2.230 10.810
219 H LEU 33 H LEU 33 -6.034 3.487 5.212
220 HA LEU 33 HA LEU 33 -3.847 5.113 6.152
221 HB2 LEU 33 1HB LEU 33 -4.538 3.692 3.605
222 HB3 LEU 33 2HB LEU 33 -3.291 4.924 3.610
223 HG LEU 33 HG LEU 33 -3.299 2.427 5.329
224 HD11 LEU 33 1HD1 LEU 33 -1.639 1.529 3.883
225 HD12 LEU 33 2HD1 LEU 33 -2.986 2.076 2.855
226 HD13 LEU 33 3HD1 LEU 33 -1.504 3.055 2.975
227 HD21 LEU 33 3HD2 LEU 33 -1.681 3.324 6.550
228 HD22 LEU 33 1HD2 LEU 33 -0.732 3.695 5.091
229 HD23 LEU 33 2HD2 LEU 33 -1.925 4.867 5.699
230 HA PRO 34 HA PRO 34 -5.509 8.891 4.895
231 HB2 PRO 34 1HB PRO 34 -3.257 10.364 4.418
232 HB3 PRO 34 2HB PRO 34 -3.887 10.070 6.026
233 HG2 PRO 34 1HG PRO 34 -1.542 8.850 4.704
234 HG3 PRO 34 2HG PRO 34 -1.937 8.900 6.410
235 HD2 PRO 34 1HD PRO 34 -2.229 6.657 4.646
236 HD3 PRO 34 2HD PRO 34 -2.731 6.744 6.323
237 H ALA 35 H ALA 35 -5.595 10.638 3.172
238 HA ALA 35 HA ALA 35 -5.707 9.200 0.685
239 HB1 ALA 35 1HB ALA 35 -6.594 11.860 1.761
240 HB2 ALA 35 2HB ALA 35 -6.425 11.675 -0.001
241 HB3 ALA 35 3HB ALA 35 -7.527 10.610 0.904
242 H ASP 36 H ASP 36 -3.607 11.550 2.336
243 HA ASP 36 HA ASP 36 -2.210 12.143 -0.083
244 HB2 ASP 36 1HB ASP 36 -0.749 13.500 1.394
245 HB3 ASP 36 2HB ASP 36 -2.442 13.860 1.670
246 HD2 ASP 36 HD ASP 36 -0.409 14.331 3.621
247 H TRP 37 H TRP 37 -2.426 9.329 1.330
248 HA TRP 37 HA TRP 37 0.254 8.784 2.178
249 HB2 TRP 37 1HB TRP 37 -1.632 7.632 3.176
250 HB3 TRP 37 2HB TRP 37 -2.109 6.984 1.619
251 HD1 TRP 37 HD TRP 37 0.788 6.622 4.187
252 HE1 TRP 37 1HE TRP 37 1.952 4.265 3.960
253 HE3 TRP 37 3HE TRP 37 -1.815 5.148 0.076
254 HZ2 TRP 37 2HZ TRP 37 1.660 2.097 2.127
255 HZ3 TRP 37 3HZ TRP 37 -1.315 2.897 -0.870
256 HH2 TRP 37 HH TRP 37 0.355 1.391 0.088
257 H VAL 38 H VAL 38 -1.859 7.909 -0.650
258 HA VAL 38 HA VAL 38 -1.332 7.019 -2.627
259 HB VAL 38 HB VAL 38 0.239 8.399 -3.925
260 HG11 VAL 38 1HG1 VAL 38 -2.066 9.360 -2.418
261 HG12 VAL 38 2HG1 VAL 38 -0.959 10.681 -2.861
262 HG13 VAL 38 3HG1 VAL 38 -1.627 9.619 -4.123
263 HG21 VAL 38 3HG2 VAL 38 1.874 8.707 -2.014
264 HG22 VAL 38 1HG2 VAL 38 1.518 10.168 -2.967
265 HG23 VAL 38 2HG2 VAL 38 0.766 9.942 -1.370
266 H CYS 39 H CYS 39 1.187 6.798 -4.015
267 HA CYS 39 HA CYS 39 2.323 4.643 -2.413
268 HB2 CYS 39 1HB CYS 39 1.561 3.815 -4.472
269 HB3 CYS 39 2HB CYS 39 2.201 5.176 -5.371
270 HA PRO 40 HA PRO 40 5.641 7.554 -1.997
271 HB2 PRO 40 1HB PRO 40 6.881 6.330 0.108
272 HB3 PRO 40 2HB PRO 40 5.591 7.500 0.304
273 HG2 PRO 40 1HG PRO 40 5.490 4.562 0.610
274 HG3 PRO 40 2HG PRO 40 4.363 5.766 1.201
275 HD2 PRO 40 1HD PRO 40 4.006 4.050 -1.069
276 HD3 PRO 40 2HD PRO 40 2.933 5.333 -0.547
277 H VAL 41 H VAL 41 5.702 5.881 -4.154
278 HA VAL 41 HA VAL 41 8.543 5.224 -4.096
279 HB VAL 41 HB VAL 41 6.458 3.336 -5.193
280 HG11 VAL 41 1HG1 VAL 41 9.431 3.018 -4.655
281 HG12 VAL 41 2HG1 VAL 41 8.340 1.735 -5.231
282 HG13 VAL 41 3HG1 VAL 41 8.652 3.162 -6.249
283 HG21 VAL 41 3HG2 VAL 41 5.988 2.954 -3.003
284 HG22 VAL 41 1HG2 VAL 41 7.471 1.975 -3.093
285 HG23 VAL 41 2HG2 VAL 41 7.535 3.628 -2.437
286 H CYS 42 H CYS 42 5.483 5.539 -6.003
287 HA CYS 42 HA CYS 42 7.140 6.678 -8.137
288 HB2 CYS 42 1HB CYS 42 5.733 5.778 -9.777
289 HB3 CYS 42 2HB CYS 42 6.062 4.467 -8.662
290 H GLY 43 H GLY 43 3.959 6.655 -6.404
291 HA2 GLY 43 1HA GLY 43 3.505 9.074 -5.657
292 HA3 GLY 43 2HA GLY 43 3.437 9.383 -7.381
293 H ALA 44 H ALA 44 2.256 6.809 -8.167
294 HA ALA 44 HA ALA 44 -0.289 7.236 -8.436
295 HB1 ALA 44 1HB ALA 44 1.028 5.136 -9.001
296 HB2 ALA 44 2HB ALA 44 0.671 4.562 -7.354
297 HB3 ALA 44 3HB ALA 44 -0.658 4.863 -8.499
298 HA PRO 45 HA PRO 45 -2.125 7.754 -4.544
299 HB2 PRO 45 1HB PRO 45 -4.758 7.705 -5.274
300 HB3 PRO 45 2HB PRO 45 -3.749 9.130 -5.422
301 HG2 PRO 45 1HG PRO 45 -4.690 7.297 -7.542
302 HG3 PRO 45 2HG PRO 45 -4.058 8.924 -7.699
303 HD2 PRO 45 1HD PRO 45 -2.669 6.481 -8.271
304 HD3 PRO 45 2HD PRO 45 -2.002 8.100 -8.316
305 H LYS 46 H LYS 46 -3.560 6.788 -2.891
306 HA LYS 46 HA LYS 46 -3.015 4.048 -2.779
307 HB2 LYS 46 1HB LYS 46 -3.980 4.118 -0.682
308 HB3 LYS 46 2HB LYS 46 -3.479 5.782 -0.903
309 HG2 LYS 46 1HG LYS 46 -5.835 6.271 -1.794
310 HG3 LYS 46 2HG LYS 46 -6.286 4.652 -1.300
311 HD2 LYS 46 1HD LYS 46 -4.883 6.146 0.834
312 HD3 LYS 46 2HD LYS 46 -6.360 6.935 0.316
313 HE2 LYS 46 1HE LYS 46 -7.713 5.256 1.140
314 HE3 LYS 46 2HE LYS 46 -6.597 3.984 0.686
315 HZ1 LYS 46 2HZ LYS 46 -6.538 4.091 3.036
316 HZ3 LYS 46 1HZ LYS 46 -6.441 5.716 3.082
317 H SER 47 H SER 47 -5.448 5.863 -4.457
318 HA SER 47 HA SER 47 -7.427 3.857 -4.397
319 HB2 SER 47 1HB SER 47 -7.191 6.536 -5.315
320 HB3 SER 47 2HB SER 47 -7.581 5.591 -6.738
321 HG SER 47 HG SER 47 -9.267 4.588 -5.091
322 H GLU 48 H GLU 48 -4.369 4.031 -5.853
323 HA GLU 48 HA GLU 48 -5.242 2.367 -8.079
324 HB2 GLU 48 1HB GLU 48 -2.639 3.911 -7.694
325 HB3 GLU 48 2HB GLU 48 -3.011 2.915 -9.086
326 HG2 GLU 48 1HG GLU 48 -5.179 4.402 -9.283
327 HG3 GLU 48 2HG GLU 48 -4.328 5.512 -8.227
328 HE2 GLU 48 HE GLU 48 -2.676 6.993 -10.230
329 H PHE 49 H PHE 49 -5.125 1.326 -5.384
330 HA PHE 49 HA PHE 49 -2.771 -0.417 -5.611
331 HB2 PHE 49 1HB PHE 49 -4.136 1.091 -3.423
332 HB3 PHE 49 2HB PHE 49 -3.858 -0.588 -3.003
333 HD1 PHE 49 1HD PHE 49 -2.231 2.589 -3.876
334 HD2 PHE 49 2HD PHE 49 -1.637 -1.416 -2.606
335 HE1 PHE 49 1HE PHE 49 0.144 3.132 -3.274
336 HE2 PHE 49 2HE PHE 49 0.739 -0.873 -2.004
337 HZ PHE 49 HZ PHE 49 1.601 1.395 -2.345
338 H GLU 50 H GLU 50 -3.079 -2.641 -5.586
339 HA GLU 50 HA GLU 50 -5.814 -3.518 -5.118
340 HB2 GLU 50 1HB GLU 50 -5.813 -4.915 -7.068
341 HB3 GLU 50 2HB GLU 50 -5.274 -3.334 -7.599
342 HG2 GLU 50 1HG GLU 50 -2.855 -4.201 -7.230
343 HG3 GLU 50 2HG GLU 50 -3.561 -5.799 -7.082
344 HE2 GLU 50 HE GLU 50 -4.949 -5.737 -10.260
345 H ALA 51 H ALA 51 -5.995 -5.795 -4.424
346 HA ALA 51 HA ALA 51 -3.723 -6.530 -2.813
347 HB1 ALA 51 1HB ALA 51 -6.617 -7.232 -3.037
348 HB2 ALA 51 2HB ALA 51 -5.535 -8.489 -2.392
349 HB3 ALA 51 3HB ALA 51 -5.629 -6.901 -1.594
350 H ALA 52 H ALA 52 -2.068 -7.696 -3.644
351 HA ALA 52 HA ALA 52 -2.716 -10.004 -5.266
352 HB1 ALA 52 1HB ALA 52 -2.494 -8.253 -6.954
353 HB2 ALA 52 2HB ALA 52 -0.946 -7.730 -6.249
354 HB3 ALA 52 3HB ALA 52 -1.076 -9.327 -7.023
Start of MODEL 10
1 H1 MET 1 H MET 1 -1.162 -10.616 8.399
2 HA MET 1 HA MET 1 -3.519 -11.418 7.611
3 HB2 MET 1 1HB MET 1 -2.213 -8.784 7.987
4 HB3 MET 1 2HB MET 1 -3.596 -8.673 6.916
5 HG2 MET 1 1HG MET 1 -5.093 -9.050 8.611
6 HG3 MET 1 2HG MET 1 -4.136 -10.350 9.294
7 HE1 MET 1 3HE MET 1 -4.991 -6.540 9.420
8 HE2 MET 1 1HE MET 1 -3.474 -5.853 10.050
9 HE3 MET 1 2HE MET 1 -3.506 -6.614 8.441
10 H LYS 2 H LYS 2 -2.202 -8.787 5.526
11 HA LYS 2 HA LYS 2 -2.045 -10.257 3.171
12 HB2 LYS 2 1HB LYS 2 -4.094 -9.693 2.024
13 HB3 LYS 2 2HB LYS 2 -4.468 -10.593 3.480
14 HG2 LYS 2 1HG LYS 2 -5.990 -8.868 3.743
15 HG3 LYS 2 2HG LYS 2 -4.621 -8.130 4.551
16 HD2 LYS 2 1HD LYS 2 -4.574 -6.457 3.023
17 HD3 LYS 2 2HD LYS 2 -4.359 -7.611 1.722
18 HE2 LYS 2 1HE LYS 2 -6.384 -6.552 1.130
19 HE3 LYS 2 2HE LYS 2 -6.942 -8.015 1.919
20 HZ1 LYS 2 2HZ LYS 2 -6.876 -6.481 4.030
21 HZ3 LYS 2 1HZ LYS 2 -8.153 -6.402 3.022
22 H LYS 3 H LYS 3 -1.083 -8.999 1.580
23 HA LYS 3 HA LYS 3 -0.981 -6.124 2.167
24 HB2 LYS 3 1HB LYS 3 1.398 -6.239 1.282
25 HB3 LYS 3 2HB LYS 3 1.120 -6.895 2.883
26 HG2 LYS 3 1HG LYS 3 0.704 -8.935 0.806
27 HG3 LYS 3 2HG LYS 3 2.306 -8.232 0.696
28 HD2 LYS 3 1HD LYS 3 2.877 -9.693 2.351
29 HD3 LYS 3 2HD LYS 3 2.056 -8.588 3.434
30 HE2 LYS 3 1HE LYS 3 1.194 -10.862 3.786
31 HE3 LYS 3 2HE LYS 3 -0.077 -9.857 3.119
32 HZ1 LYS 3 2HZ LYS 3 1.240 -12.122 1.915
33 HZ3 LYS 3 1HZ LYS 3 1.099 -10.861 0.894
34 H TYR 4 H TYR 4 -0.679 -4.743 0.271
35 HA TYR 4 HA TYR 4 -1.725 -6.064 -2.137
36 HB2 TYR 4 1HB TYR 4 -1.679 -3.071 -1.749
37 HB3 TYR 4 2HB TYR 4 -2.971 -4.062 -2.396
38 HD1 TYR 4 2HD TYR 4 -1.339 -2.979 0.767
39 HD2 TYR 4 1HD TYR 4 -4.785 -4.771 -1.028
40 HE1 TYR 4 2HE TYR 4 -2.587 -2.809 2.975
41 HE2 TYR 4 1HE TYR 4 -6.021 -4.595 1.186
42 HH TYR 4 HH TYR 4 -4.376 -3.723 4.104
43 H VAL 5 H VAL 5 -1.202 -4.115 -4.033
44 HA VAL 5 HA VAL 5 1.587 -3.404 -3.872
45 HB VAL 5 HB VAL 5 0.545 -5.519 -5.755
46 HG11 VAL 5 1HG1 VAL 5 2.487 -5.341 -7.093
47 HG12 VAL 5 2HG1 VAL 5 1.895 -3.673 -6.901
48 HG13 VAL 5 3HG1 VAL 5 3.282 -4.242 -5.941
49 HG21 VAL 5 3HG2 VAL 5 2.524 -6.779 -4.911
50 HG22 VAL 5 1HG2 VAL 5 2.841 -5.450 -3.770
51 HG23 VAL 5 2HG2 VAL 5 1.337 -6.393 -3.643
52 H CYS 6 H CYS 6 2.007 -1.584 -5.096
53 HA CYS 6 HA CYS 6 -0.205 -0.173 -6.067
54 HB2 CYS 6 1HB CYS 6 1.577 1.096 -5.236
55 HB3 CYS 6 2HB CYS 6 2.769 0.244 -6.197
56 H THR 7 H THR 7 -0.964 0.128 -8.205
57 HA THR 7 HA THR 7 -0.205 -1.928 -10.070
58 HB THR 7 HB THR 7 -2.106 -0.917 -11.368
59 HG1 THR 7 1HG THR 7 -2.075 1.270 -10.867
60 HG21 THR 7 3HG2 THR 7 -2.466 -1.406 -8.385
61 HG22 THR 7 1HG2 THR 7 -3.844 -0.892 -9.387
62 HG23 THR 7 2HG2 THR 7 -3.005 -2.419 -9.746
63 H VAL 8 H VAL 8 -0.186 1.701 -10.106
64 HA VAL 8 HA VAL 8 0.902 2.158 -12.505
65 HB VAL 8 HB VAL 8 1.597 3.433 -9.854
66 HG11 VAL 8 1HG1 VAL 8 2.325 4.187 -12.675
67 HG12 VAL 8 2HG1 VAL 8 2.056 5.453 -11.453
68 HG13 VAL 8 3HG1 VAL 8 3.317 4.224 -11.198
69 HG21 VAL 8 3HG2 VAL 8 -0.760 3.567 -10.294
70 HG22 VAL 8 1HG2 VAL 8 -0.050 5.163 -10.636
71 HG23 VAL 8 2HG2 VAL 8 -0.474 4.072 -11.977
72 H CYS 9 H CYS 9 3.068 1.953 -9.596
73 HA CYS 9 HA CYS 9 5.135 0.965 -11.387
74 HB2 CYS 9 1HB CYS 9 6.709 1.764 -9.916
75 HB3 CYS 9 2HB CYS 9 5.429 2.954 -9.782
76 H GLY 10 H GLY 10 6.620 -0.277 -9.104
77 HA2 GLY 10 1HA GLY 10 4.891 -2.639 -8.663
78 HA3 GLY 10 2HA GLY 10 6.595 -2.738 -9.059
79 H TYR 11 H TYR 11 4.417 -1.070 -6.667
80 HA TYR 11 HA TYR 11 6.506 -1.544 -4.651
81 HB2 TYR 11 1HB TYR 11 5.766 0.841 -5.264
82 HB3 TYR 11 2HB TYR 11 4.127 0.411 -4.818
83 HD1 TYR 11 2HD TYR 11 7.494 -0.035 -3.200
84 HD2 TYR 11 1HD TYR 11 3.477 1.387 -2.825
85 HE1 TYR 11 2HE TYR 11 7.958 0.664 -0.800
86 HE2 TYR 11 1HE TYR 11 3.954 2.081 -0.426
87 HH TYR 11 HH TYR 11 6.470 2.739 0.790
88 H GLU 12 H GLU 12 5.769 -2.098 -2.452
89 HA GLU 12 HA GLU 12 3.098 -3.234 -2.421
90 HB2 GLU 12 1HB GLU 12 3.919 -5.309 -1.383
91 HB3 GLU 12 2HB GLU 12 4.656 -5.083 -2.956
92 HG2 GLU 12 1HG GLU 12 6.668 -4.044 -1.798
93 HG3 GLU 12 2HG GLU 12 5.938 -4.449 -0.258
94 HE2 GLU 12 HE GLU 12 8.443 -6.443 -1.358
95 H TYR 13 H TYR 13 2.009 -2.914 -0.478
96 HA TYR 13 HA TYR 13 3.573 -1.556 1.607
97 HB2 TYR 13 1HB TYR 13 1.762 -0.197 0.660
98 HB3 TYR 13 2HB TYR 13 0.673 -1.568 0.605
99 HD1 TYR 13 2HD TYR 13 2.502 0.619 3.030
100 HD2 TYR 13 1HD TYR 13 -0.883 -1.900 2.326
101 HE1 TYR 13 2HE TYR 13 1.520 1.301 5.273
102 HE2 TYR 13 1HE TYR 13 -1.854 -1.210 4.572
103 HH TYR 13 HH TYR 13 -0.386 -0.168 6.924
104 H ASP 14 H ASP 14 3.182 -2.084 3.840
105 HA ASP 14 HA ASP 14 1.945 -4.710 4.126
106 HB2 ASP 14 1HB ASP 14 4.596 -3.873 4.725
107 HB3 ASP 14 2HB ASP 14 3.795 -3.989 6.280
108 HD2 ASP 14 HD ASP 14 3.841 -5.721 3.376
109 HA PRO 15 HA PRO 15 -0.522 -2.223 6.861
110 HB2 PRO 15 1HB PRO 15 -2.516 -4.045 7.280
111 HB3 PRO 15 2HB PRO 15 -2.500 -2.936 5.923
112 HG2 PRO 15 1HG PRO 15 -1.911 -5.833 5.958
113 HG3 PRO 15 2HG PRO 15 -2.314 -4.811 4.592
114 HD2 PRO 15 1HD PRO 15 0.290 -5.787 5.295
115 HD3 PRO 15 2HD PRO 15 -0.097 -4.673 4.000
116 H ALA 16 H ALA 16 0.562 -5.461 7.510
117 HA ALA 16 HA ALA 16 0.036 -5.252 10.306
118 HB1 ALA 16 1HB ALA 16 0.647 -7.454 10.334
119 HB2 ALA 16 2HB ALA 16 0.423 -7.308 8.574
120 HB3 ALA 16 3HB ALA 16 2.054 -7.186 9.277
121 H GLU 17 H GLU 17 2.207 -3.681 8.277
122 HA GLU 17 HA GLU 17 4.175 -3.541 10.426
123 HB2 GLU 17 1HB GLU 17 4.771 -4.401 7.987
124 HB3 GLU 17 2HB GLU 17 4.782 -2.695 7.587
125 HG2 GLU 17 1HG GLU 17 7.033 -3.154 8.199
126 HG3 GLU 17 2HG GLU 17 6.360 -2.377 9.618
127 HE2 GLU 17 HE GLU 17 6.590 -6.356 9.523
128 H GLY 18 H GLY 18 2.719 -1.608 7.707
129 HA2 GLY 18 1HA GLY 18 1.530 0.421 8.422
130 HA3 GLY 18 2HA GLY 18 2.894 0.765 9.467
131 H ASP 19 H ASP 19 3.859 2.575 8.607
132 HA ASP 19 HA ASP 19 5.327 2.303 6.270
133 HB2 ASP 19 1HB ASP 19 2.733 2.834 5.610
134 HB3 ASP 19 2HB ASP 19 3.292 4.475 5.864
135 HD2 ASP 19 HD ASP 19 4.999 2.293 2.976
136 HA PRO 20 HA PRO 20 6.801 5.575 8.918
137 HB2 PRO 20 1HB PRO 20 9.438 5.406 8.219
138 HB3 PRO 20 2HB PRO 20 8.721 4.441 9.494
139 HG2 PRO 20 1HG PRO 20 9.505 3.618 6.765
140 HG3 PRO 20 2HG PRO 20 9.195 2.614 8.167
141 HD2 PRO 20 1HD PRO 20 7.446 3.029 5.932
142 HD3 PRO 20 2HD PRO 20 7.090 2.119 7.387
143 H ASP 21 H ASP 21 7.433 5.243 5.512
144 HA ASP 21 HA ASP 21 8.552 7.499 4.822
145 HB2 ASP 21 1HB ASP 21 7.035 5.633 3.511
146 HB3 ASP 21 2HB ASP 21 5.961 7.012 3.393
147 HD2 ASP 21 HD ASP 21 9.353 6.493 1.552
148 H ASN 22 H ASN 22 5.048 7.114 5.707
149 HA ASN 22 HA ASN 22 4.841 10.010 5.769
150 HB2 ASN 22 1HB ASN 22 2.936 7.749 5.280
151 HB3 ASN 22 2HB ASN 22 2.277 9.072 6.222
152 HD21 ASN 22 1HD2 ASN 22 4.310 8.511 3.351
153 HD22 ASN 22 2HD2 ASN 22 3.614 9.736 2.345
154 H GLY 23 H GLY 23 4.469 6.955 7.624
155 HA2 GLY 23 1HA GLY 23 5.103 7.059 9.965
156 HA3 GLY 23 2HA GLY 23 4.192 8.550 10.101
157 H VAL 24 H VAL 24 3.978 5.008 9.709
158 HA VAL 24 HA VAL 24 1.229 5.181 10.700
159 HB VAL 24 HB VAL 24 2.253 3.650 8.316
160 HG11 VAL 24 1HG1 VAL 24 1.086 1.988 9.571
161 HG12 VAL 24 2HG1 VAL 24 -0.232 3.117 9.968
162 HG13 VAL 24 3HG1 VAL 24 -0.023 2.546 8.295
163 HG21 VAL 24 3HG2 VAL 24 0.071 5.686 8.794
164 HG22 VAL 24 1HG2 VAL 24 1.430 5.749 7.645
165 HG23 VAL 24 2HG2 VAL 24 0.074 4.631 7.360
166 H LYS 25 H LYS 25 0.540 3.199 11.847
167 HA LYS 25 HA LYS 25 2.866 1.956 13.104
168 HB2 LYS 25 1HB LYS 25 -0.008 2.310 13.985
169 HB3 LYS 25 2HB LYS 25 1.128 1.281 14.834
170 HG2 LYS 25 1HG LYS 25 2.700 3.292 14.996
171 HG3 LYS 25 2HG LYS 25 1.412 4.280 14.335
172 HD2 LYS 25 1HD LYS 25 0.625 2.554 16.645
173 HD3 LYS 25 2HD LYS 25 1.779 3.818 17.022
174 HE2 LYS 25 1HE LYS 25 -0.562 4.622 15.322
175 HE3 LYS 25 2HE LYS 25 -0.916 4.226 16.992
176 HZ1 LYS 25 2HZ LYS 25 1.390 5.873 16.867
177 HZ3 LYS 25 1HZ LYS 25 -0.023 6.176 17.618
178 HA PRO 26 HA PRO 26 1.947 -1.892 11.383
179 HB2 PRO 26 1HB PRO 26 2.703 -3.652 13.333
180 HB3 PRO 26 2HB PRO 26 3.843 -2.853 12.268
181 HG2 PRO 26 1HG PRO 26 3.257 -2.294 15.111
182 HG3 PRO 26 2HG PRO 26 4.652 -1.818 14.164
183 HD2 PRO 26 1HD PRO 26 2.445 -0.152 14.924
184 HD3 PRO 26 2HD PRO 26 3.781 0.291 13.880
185 H GLY 27 H GLY 27 0.410 -3.485 11.023
186 HA2 GLY 27 1HA GLY 27 -1.369 -4.805 11.707
187 HA3 GLY 27 2HA GLY 27 -1.509 -3.884 13.192
188 H THR 28 H THR 28 -1.098 -1.412 11.133
189 HA THR 28 HA THR 28 -3.842 -0.732 11.083
190 HB THR 28 HB THR 28 -1.363 0.440 9.715
191 HG1 THR 28 1HG THR 28 -1.604 1.832 11.655
192 HG21 THR 28 3HG2 THR 28 -3.092 1.612 8.621
193 HG22 THR 28 1HG2 THR 28 -4.237 1.367 9.962
194 HG23 THR 28 2HG2 THR 28 -2.935 2.572 10.112
195 H SER 29 H SER 29 -5.127 -0.178 9.150
196 HA SER 29 HA SER 29 -4.595 -2.176 7.095
197 HB2 SER 29 1HB SER 29 -6.880 -2.577 6.910
198 HB3 SER 29 2HB SER 29 -6.757 -2.202 8.618
199 HG SER 29 HG SER 29 -7.491 -0.067 8.211
200 H PHE 30 H PHE 30 -4.894 -1.563 4.852
201 HA PHE 30 HA PHE 30 -4.050 1.010 4.243
202 HB2 PHE 30 1HB PHE 30 -4.070 -1.288 2.931
203 HB3 PHE 30 2HB PHE 30 -5.706 -0.866 2.467
204 HD1 PHE 30 2HD PHE 30 -6.121 1.035 0.966
205 HD2 PHE 30 1HD PHE 30 -2.173 -0.157 1.965
206 HE1 PHE 30 2HE PHE 30 -5.230 2.371 -0.963
207 HE2 PHE 30 1HE PHE 30 -1.281 1.180 0.036
208 HZ PHE 30 HZ PHE 30 -2.821 2.428 -1.404
209 H ASP 31 H ASP 31 -7.307 -0.390 4.632
210 HA ASP 31 HA ASP 31 -8.706 1.544 3.252
211 HB2 ASP 31 1HB ASP 31 -9.952 -0.356 3.873
212 HB3 ASP 31 2HB ASP 31 -9.319 -0.366 5.507
213 HD2 ASP 31 HD ASP 31 -11.734 1.133 3.502
214 H ASP 32 H ASP 32 -6.829 1.710 6.145
215 HA ASP 32 HA ASP 32 -8.386 3.910 7.199
216 HB2 ASP 32 1HB ASP 32 -6.888 1.835 8.380
217 HB3 ASP 32 2HB ASP 32 -5.872 3.247 8.591
218 HD2 ASP 32 HD ASP 32 -7.696 5.121 9.041
219 H LEU 33 H LEU 33 -5.376 3.026 5.531
220 HA LEU 33 HA LEU 33 -3.713 5.104 6.069
221 HB2 LEU 33 1HB LEU 33 -4.221 3.448 3.627
222 HB3 LEU 33 2HB LEU 33 -3.079 4.775 3.552
223 HG LEU 33 HG LEU 33 -2.930 2.408 5.439
224 HD11 LEU 33 1HD1 LEU 33 -0.709 2.181 3.994
225 HD12 LEU 33 2HD1 LEU 33 -2.253 1.457 3.485
226 HD13 LEU 33 3HD1 LEU 33 -1.719 3.002 2.780
227 HD21 LEU 33 3HD2 LEU 33 -0.595 3.347 5.869
228 HD22 LEU 33 1HD2 LEU 33 -1.199 4.864 5.160
229 HD23 LEU 33 2HD2 LEU 33 -1.968 4.196 6.619
230 HA PRO 34 HA PRO 34 -5.628 8.653 4.529
231 HB2 PRO 34 1HB PRO 34 -3.477 10.300 4.167
232 HB3 PRO 34 2HB PRO 34 -4.218 10.021 5.730
233 HG2 PRO 34 1HG PRO 34 -1.670 8.960 4.671
234 HG3 PRO 34 2HG PRO 34 -2.215 9.048 6.334
235 HD2 PRO 34 1HD PRO 34 -2.159 6.714 4.668
236 HD3 PRO 34 2HD PRO 34 -2.811 6.828 6.290
237 H ALA 35 H ALA 35 -5.676 10.330 2.719
238 HA ALA 35 HA ALA 35 -5.504 8.782 0.309
239 HB1 ALA 35 1HB ALA 35 -7.187 10.718 1.216
240 HB2 ALA 35 2HB ALA 35 -6.091 11.698 0.213
241 HB3 ALA 35 3HB ALA 35 -6.970 10.329 -0.507
242 H ASP 36 H ASP 36 -3.836 11.604 1.813
243 HA ASP 36 HA ASP 36 -2.263 12.152 -0.416
244 HB2 ASP 36 1HB ASP 36 -2.102 12.764 2.544
245 HB3 ASP 36 2HB ASP 36 -0.726 13.148 1.529
246 HD2 ASP 36 HD ASP 36 -2.159 15.929 2.084
247 H TRP 37 H TRP 37 -2.379 9.421 1.554
248 HA TRP 37 HA TRP 37 0.305 8.904 2.135
249 HB2 TRP 37 1HB TRP 37 -1.510 7.723 3.202
250 HB3 TRP 37 2HB TRP 37 -2.033 7.047 1.672
251 HD1 TRP 37 HD TRP 37 0.785 6.651 4.281
252 HE1 TRP 37 1HE TRP 37 2.036 4.346 3.990
253 HE3 TRP 37 3HE TRP 37 -1.529 5.343 -0.054
254 HZ2 TRP 37 2HZ TRP 37 1.921 2.281 2.024
255 HZ3 TRP 37 3HZ TRP 37 -0.902 3.166 -1.094
256 HH2 TRP 37 HH TRP 37 0.758 1.657 -0.125
257 H VAL 38 H VAL 38 -1.824 7.904 -0.640
258 HA VAL 38 HA VAL 38 -1.293 6.953 -2.591
259 HB VAL 38 HB VAL 38 0.191 8.365 -3.963
260 HG11 VAL 38 1HG1 VAL 38 -1.242 10.511 -2.618
261 HG12 VAL 38 2HG1 VAL 38 -1.521 9.780 -4.217
262 HG13 VAL 38 3HG1 VAL 38 -2.244 9.047 -2.765
263 HG21 VAL 38 3HG2 VAL 38 0.669 9.997 -1.451
264 HG22 VAL 38 1HG2 VAL 38 1.842 8.834 -2.116
265 HG23 VAL 38 2HG2 VAL 38 1.359 10.256 -3.072
266 H CYS 39 H CYS 39 1.242 6.858 -4.009
267 HA CYS 39 HA CYS 39 2.509 4.803 -2.366
268 HB2 CYS 39 1HB CYS 39 1.723 3.880 -4.388
269 HB3 CYS 39 2HB CYS 39 2.323 5.222 -5.342
270 HA PRO 40 HA PRO 40 5.663 7.917 -2.150
271 HB2 PRO 40 1HB PRO 40 6.983 6.886 0.009
272 HB3 PRO 40 2HB PRO 40 5.637 7.999 0.151
273 HG2 PRO 40 1HG PRO 40 5.689 5.082 0.632
274 HG3 PRO 40 2HG PRO 40 4.507 6.261 1.163
275 HD2 PRO 40 1HD PRO 40 4.219 4.396 -0.997
276 HD3 PRO 40 2HD PRO 40 3.086 5.652 -0.539
277 H VAL 41 H VAL 41 5.985 6.597 -4.315
278 HA VAL 41 HA VAL 41 8.781 6.033 -4.277
279 HB VAL 41 HB VAL 41 8.818 3.821 -4.255
280 HG11 VAL 41 1HG1 VAL 41 6.647 2.670 -3.422
281 HG12 VAL 41 2HG1 VAL 41 7.428 3.882 -2.378
282 HG13 VAL 41 3HG1 VAL 41 5.991 4.323 -3.332
283 HG21 VAL 41 3HG2 VAL 41 8.001 3.818 -6.603
284 HG22 VAL 41 1HG2 VAL 41 7.481 2.386 -5.682
285 HG23 VAL 41 2HG2 VAL 41 6.332 3.709 -5.994
286 H CYS 42 H CYS 42 5.595 5.900 -5.946
287 HA CYS 42 HA CYS 42 7.000 6.822 -8.349
288 HB2 CYS 42 1HB CYS 42 5.540 5.641 -9.733
289 HB3 CYS 42 2HB CYS 42 5.997 4.507 -8.477
290 H GLY 43 H GLY 43 3.969 6.862 -6.363
291 HA2 GLY 43 1HA GLY 43 3.382 9.275 -5.825
292 HA3 GLY 43 2HA GLY 43 3.282 9.470 -7.563
293 H ALA 44 H ALA 44 2.156 6.911 -8.274
294 HA ALA 44 HA ALA 44 -0.404 7.223 -8.461
295 HB1 ALA 44 1HB ALA 44 0.577 4.582 -7.345
296 HB2 ALA 44 2HB ALA 44 -0.658 4.875 -8.593
297 HB3 ALA 44 3HB ALA 44 1.062 5.150 -8.960
298 HA PRO 45 HA PRO 45 -2.128 7.737 -4.514
299 HB2 PRO 45 1HB PRO 45 -4.778 7.649 -5.173
300 HB3 PRO 45 2HB PRO 45 -3.795 9.089 -5.349
301 HG2 PRO 45 1HG PRO 45 -4.765 7.241 -7.442
302 HG3 PRO 45 2HG PRO 45 -4.162 8.877 -7.616
303 HD2 PRO 45 1HD PRO 45 -2.752 6.455 -8.226
304 HD3 PRO 45 2HD PRO 45 -2.111 8.084 -8.289
305 H LYS 46 H LYS 46 -3.534 6.753 -2.835
306 HA LYS 46 HA LYS 46 -2.933 4.023 -2.726
307 HB2 LYS 46 1HB LYS 46 -3.949 4.056 -0.623
308 HB3 LYS 46 2HB LYS 46 -3.332 5.684 -0.820
309 HG2 LYS 46 1HG LYS 46 -5.502 6.580 -1.301
310 HG3 LYS 46 2HG LYS 46 -6.177 5.000 -1.643
311 HD2 LYS 46 1HD LYS 46 -5.612 4.433 0.850
312 HD3 LYS 46 2HD LYS 46 -5.412 6.161 1.062
313 HE2 LYS 46 1HE LYS 46 -7.923 5.165 -0.295
314 HE3 LYS 46 2HE LYS 46 -7.790 4.985 1.443
315 HZ1 LYS 46 2HZ LYS 46 -7.632 7.526 -0.079
316 HZ3 LYS 46 1HZ LYS 46 -7.245 7.430 1.500
317 H SER 47 H SER 47 -5.459 5.803 -4.323
318 HA SER 47 HA SER 47 -7.382 3.749 -4.237
319 HB2 SER 47 1HB SER 47 -8.046 6.067 -4.629
320 HB3 SER 47 2HB SER 47 -7.036 6.168 -6.057
321 HG SER 47 HG SER 47 -8.608 4.070 -6.510
322 H GLU 48 H GLU 48 -4.368 4.010 -5.773
323 HA GLU 48 HA GLU 48 -5.258 2.348 -7.993
324 HB2 GLU 48 1HB GLU 48 -2.693 3.959 -7.634
325 HB3 GLU 48 2HB GLU 48 -3.030 2.936 -9.016
326 HG2 GLU 48 1HG GLU 48 -5.255 4.347 -9.214
327 HG3 GLU 48 2HG GLU 48 -4.427 5.498 -8.184
328 HE2 GLU 48 HE GLU 48 -3.789 6.614 -11.383
329 H PHE 49 H PHE 49 -5.064 1.284 -5.307
330 HA PHE 49 HA PHE 49 -2.714 -0.448 -5.632
331 HB2 PHE 49 1HB PHE 49 -4.073 0.957 -3.322
332 HB3 PHE 49 2HB PHE 49 -3.478 -0.656 -2.983
333 HD1 PHE 49 2HD PHE 49 -2.446 2.707 -4.131
334 HD2 PHE 49 1HD PHE 49 -1.176 -1.053 -2.627
335 HE1 PHE 49 2HE PHE 49 -0.145 3.635 -3.756
336 HE2 PHE 49 1HE PHE 49 1.126 -0.125 -2.252
337 HZ PHE 49 HZ PHE 49 1.614 2.208 -2.821
338 H GLU 50 H GLU 50 -3.056 -2.647 -5.701
339 HA GLU 50 HA GLU 50 -5.747 -3.524 -5.012
340 HB2 GLU 50 1HB GLU 50 -5.800 -3.509 -7.391
341 HB3 GLU 50 2HB GLU 50 -4.155 -4.096 -7.528
342 HG2 GLU 50 1HG GLU 50 -4.750 -6.313 -7.068
343 HG3 GLU 50 2HG GLU 50 -6.137 -5.858 -6.098
344 HE2 GLU 50 HE GLU 50 -6.003 -6.877 -9.698
345 H ALA 51 H ALA 51 -5.892 -5.594 -4.018
346 HA ALA 51 HA ALA 51 -3.645 -6.382 -2.556
347 HB1 ALA 51 1HB ALA 51 -5.583 -8.505 -2.794
348 HB2 ALA 51 2HB ALA 51 -5.283 -7.415 -1.419
349 HB3 ALA 51 3HB ALA 51 -6.435 -6.945 -2.693
350 H ALA 52 H ALA 52 -2.002 -7.813 -2.956
351 HA ALA 52 HA ALA 52 -1.699 -8.745 -5.630
352 HB1 ALA 52 1HB ALA 52 -0.053 -9.482 -3.185
353 HB2 ALA 52 2HB ALA 52 0.465 -9.447 -4.888
354 HB3 ALA 52 3HB ALA 52 0.116 -7.925 -4.033
Start of MODEL 11
1 H1 MET 1 H MET 1 -3.510 -8.014 7.022
2 HA MET 1 HA MET 1 -5.115 -9.982 7.458
3 HB2 MET 1 1HB MET 1 -6.621 -8.021 5.645
4 HB3 MET 1 2HB MET 1 -7.057 -9.714 5.757
5 HG2 MET 1 1HG MET 1 -6.862 -8.879 8.450
6 HG3 MET 1 2HG MET 1 -7.618 -7.523 7.639
7 HE1 MET 1 3HE MET 1 -8.742 -10.219 9.762
8 HE2 MET 1 1HE MET 1 -9.418 -11.489 8.715
9 HE3 MET 1 2HE MET 1 -7.677 -11.123 8.658
10 H LYS 2 H LYS 2 -4.519 -7.901 4.537
11 HA LYS 2 HA LYS 2 -2.954 -10.097 3.434
12 HB2 LYS 2 1HB LYS 2 -5.450 -10.048 2.623
13 HB3 LYS 2 2HB LYS 2 -4.921 -8.694 1.645
14 HG2 LYS 2 1HG LYS 2 -3.910 -10.084 0.166
15 HG3 LYS 2 2HG LYS 2 -2.946 -10.807 1.438
16 HD2 LYS 2 1HD LYS 2 -4.135 -12.711 1.066
17 HD3 LYS 2 2HD LYS 2 -5.454 -11.923 1.910
18 HE2 LYS 2 1HE LYS 2 -5.320 -11.042 -0.890
19 HE3 LYS 2 2HE LYS 2 -5.447 -12.786 -0.785
20 HZ1 LYS 2 2HZ LYS 2 -7.647 -11.831 -0.752
21 HZ3 LYS 2 1HZ LYS 2 -7.291 -10.838 0.489
22 H LYS 3 H LYS 3 -1.911 -9.169 1.233
23 HA LYS 3 HA LYS 3 -1.063 -6.425 1.858
24 HB2 LYS 3 1HB LYS 3 0.531 -8.888 1.303
25 HB3 LYS 3 2HB LYS 3 1.115 -7.381 0.627
26 HG2 LYS 3 1HG LYS 3 2.122 -7.236 2.707
27 HG3 LYS 3 2HG LYS 3 0.599 -6.465 3.102
28 HD2 LYS 3 1HD LYS 3 0.452 -9.406 3.326
29 HD3 LYS 3 2HD LYS 3 1.686 -8.723 4.367
30 HE2 LYS 3 1HE LYS 3 -0.578 -7.000 4.616
31 HE3 LYS 3 2HE LYS 3 -1.215 -8.632 4.665
32 HZ1 LYS 3 2HZ LYS 3 -0.567 -8.513 6.823
33 HZ3 LYS 3 1HZ LYS 3 0.497 -7.304 6.585
34 H TYR 4 H TYR 4 -0.727 -5.018 0.078
35 HA TYR 4 HA TYR 4 -1.882 -6.050 -2.425
36 HB2 TYR 4 1HB TYR 4 -1.669 -3.113 -1.695
37 HB3 TYR 4 2HB TYR 4 -2.959 -3.922 -2.562
38 HD1 TYR 4 1HD TYR 4 -1.510 -3.432 0.836
39 HD2 TYR 4 2HD TYR 4 -4.927 -4.629 -1.444
40 HE1 TYR 4 1HE TYR 4 -2.917 -3.472 2.953
41 HE2 TYR 4 2HE TYR 4 -6.323 -4.665 0.681
42 HH TYR 4 HH TYR 4 -6.287 -3.617 2.873
43 H VAL 5 H VAL 5 -1.226 -4.004 -4.154
44 HA VAL 5 HA VAL 5 1.548 -3.344 -3.901
45 HB VAL 5 HB VAL 5 0.628 -5.445 -5.866
46 HG11 VAL 5 1HG1 VAL 5 2.748 -3.438 -6.106
47 HG12 VAL 5 2HG1 VAL 5 3.351 -5.106 -6.257
48 HG13 VAL 5 3HG1 VAL 5 2.056 -4.527 -7.332
49 HG21 VAL 5 3HG2 VAL 5 2.639 -6.660 -4.870
50 HG22 VAL 5 1HG2 VAL 5 2.634 -5.414 -3.599
51 HG23 VAL 5 2HG2 VAL 5 1.219 -6.472 -3.814
52 H CYS 6 H CYS 6 2.027 -1.541 -5.142
53 HA CYS 6 HA CYS 6 -0.111 -0.083 -6.142
54 HB2 CYS 6 1HB CYS 6 1.757 1.116 -5.397
55 HB3 CYS 6 2HB CYS 6 2.874 0.184 -6.374
56 H THR 7 H THR 7 -0.986 0.113 -8.228
57 HA THR 7 HA THR 7 0.040 -1.817 -10.187
58 HB THR 7 HB THR 7 -2.253 -1.671 -11.113
59 HG1 THR 7 1HG THR 7 -3.148 0.309 -10.681
60 HG21 THR 7 3HG2 THR 7 -3.467 -1.814 -8.607
61 HG22 THR 7 1HG2 THR 7 -2.717 -3.192 -9.447
62 HG23 THR 7 2HG2 THR 7 -1.787 -2.273 -8.239
63 H VAL 8 H VAL 8 1.617 0.477 -9.822
64 HA VAL 8 HA VAL 8 1.219 1.684 -12.446
65 HB VAL 8 HB VAL 8 1.764 3.284 -9.939
66 HG11 VAL 8 1HG1 VAL 8 2.725 4.568 -11.575
67 HG12 VAL 8 2HG1 VAL 8 1.682 3.916 -12.861
68 HG13 VAL 8 3HG1 VAL 8 1.041 5.126 -11.724
69 HG21 VAL 8 3HG2 VAL 8 -0.560 2.377 -10.026
70 HG22 VAL 8 1HG2 VAL 8 -0.484 4.154 -10.112
71 HG23 VAL 8 2HG2 VAL 8 -0.785 3.203 -11.587
72 H CYS 9 H CYS 9 3.283 1.225 -9.516
73 HA CYS 9 HA CYS 9 5.565 1.143 -11.352
74 HB2 CYS 9 1HB CYS 9 6.946 2.231 -9.833
75 HB3 CYS 9 2HB CYS 9 5.459 3.159 -9.814
76 H GLY 10 H GLY 10 4.192 0.116 -8.148
77 HA2 GLY 10 1HA GLY 10 3.975 -2.263 -7.764
78 HA3 GLY 10 2HA GLY 10 5.535 -2.492 -8.529
79 H TYR 11 H TYR 11 3.828 -1.529 -5.593
80 HA TYR 11 HA TYR 11 6.338 -1.767 -4.136
81 HB2 TYR 11 1HB TYR 11 6.179 0.636 -4.411
82 HB3 TYR 11 2HB TYR 11 4.427 0.607 -4.366
83 HD1 TYR 11 2HD TYR 11 7.150 -0.550 -2.041
84 HD2 TYR 11 1HD TYR 11 3.565 1.731 -2.539
85 HE1 TYR 11 2HE TYR 11 7.197 0.076 0.423
86 HE2 TYR 11 1HE TYR 11 3.624 2.349 -0.074
87 HH TYR 11 HH TYR 11 6.262 2.102 1.782
88 H GLU 12 H GLU 12 5.666 -3.680 -3.140
89 HA GLU 12 HA GLU 12 3.083 -4.079 -2.223
90 HB2 GLU 12 1HB GLU 12 4.916 -5.817 -2.657
91 HB3 GLU 12 2HB GLU 12 5.603 -5.375 -1.106
92 HG2 GLU 12 1HG GLU 12 3.899 -6.375 0.099
93 HG3 GLU 12 2HG GLU 12 2.671 -5.962 -1.081
94 HE2 GLU 12 HE GLU 12 5.221 -8.177 -0.430
95 H TYR 13 H TYR 13 2.003 -3.219 -0.502
96 HA TYR 13 HA TYR 13 3.557 -1.714 1.443
97 HB2 TYR 13 1HB TYR 13 1.592 -0.629 0.465
98 HB3 TYR 13 2HB TYR 13 0.633 -2.089 0.601
99 HD1 TYR 13 2HD TYR 13 2.490 0.287 2.844
100 HD2 TYR 13 1HD TYR 13 -0.970 -2.165 2.275
101 HE1 TYR 13 2HE TYR 13 1.532 1.114 5.049
102 HE2 TYR 13 1HE TYR 13 -1.916 -1.330 4.482
103 HH TYR 13 HH TYR 13 -0.131 0.106 6.778
104 H ASP 14 H ASP 14 3.405 -2.039 3.721
105 HA ASP 14 HA ASP 14 2.418 -4.702 4.381
106 HB2 ASP 14 1HB ASP 14 4.909 -3.234 5.034
107 HB3 ASP 14 2HB ASP 14 4.142 -3.934 6.446
108 HD2 ASP 14 HD ASP 14 5.263 -4.602 3.362
109 HA PRO 15 HA PRO 15 -0.166 -2.023 6.862
110 HB2 PRO 15 1HB PRO 15 -2.200 -3.805 7.256
111 HB3 PRO 15 2HB PRO 15 -2.125 -2.727 5.877
112 HG2 PRO 15 1HG PRO 15 -1.582 -5.630 5.990
113 HG3 PRO 15 2HG PRO 15 -1.927 -4.632 4.592
114 HD2 PRO 15 1HD PRO 15 0.638 -5.632 5.396
115 HD3 PRO 15 2HD PRO 15 0.310 -4.539 4.066
116 H ALA 16 H ALA 16 0.855 -5.258 7.611
117 HA ALA 16 HA ALA 16 0.242 -4.985 10.384
118 HB1 ALA 16 1HB ALA 16 1.270 -7.153 10.573
119 HB2 ALA 16 2HB ALA 16 0.346 -7.139 9.051
120 HB3 ALA 16 3HB ALA 16 2.116 -6.952 9.019
121 H GLU 17 H GLU 17 2.494 -3.483 8.394
122 HA GLU 17 HA GLU 17 4.378 -3.300 10.616
123 HB2 GLU 17 1HB GLU 17 5.150 -4.336 8.357
124 HB3 GLU 17 2HB GLU 17 5.065 -2.708 7.716
125 HG2 GLU 17 1HG GLU 17 7.338 -3.021 8.446
126 HG3 GLU 17 2HG GLU 17 6.590 -1.961 9.624
127 HE2 GLU 17 HE GLU 17 6.953 -2.576 11.609
128 H GLY 18 H GLY 18 3.120 -1.477 7.726
129 HA2 GLY 18 1HA GLY 18 1.955 0.607 8.194
130 HA3 GLY 18 2HA GLY 18 3.177 0.963 9.399
131 H ASP 19 H ASP 19 4.246 2.749 8.600
132 HA ASP 19 HA ASP 19 6.083 2.411 6.588
133 HB2 ASP 19 1HB ASP 19 3.632 2.711 5.409
134 HB3 ASP 19 2HB ASP 19 4.073 4.398 5.582
135 HD2 ASP 19 HD ASP 19 5.746 1.532 4.704
136 HA PRO 20 HA PRO 20 7.005 6.025 8.970
137 HB2 PRO 20 1HB PRO 20 9.634 6.273 8.268
138 HB3 PRO 20 2HB PRO 20 9.082 5.226 9.560
139 HG2 PRO 20 1HG PRO 20 9.991 4.497 6.843
140 HG3 PRO 20 2HG PRO 20 9.846 3.479 8.262
141 HD2 PRO 20 1HD PRO 20 8.054 3.568 6.024
142 HD3 PRO 20 2HD PRO 20 7.849 2.637 7.495
143 H ASP 21 H ASP 21 7.729 5.752 5.572
144 HA ASP 21 HA ASP 21 8.442 8.170 4.872
145 HB2 ASP 21 1HB ASP 21 7.568 6.117 3.462
146 HB3 ASP 21 2HB ASP 21 6.028 6.953 3.489
147 HD2 ASP 21 HD ASP 21 9.331 7.539 2.743
148 H ASN 22 H ASN 22 5.014 7.154 5.564
149 HA ASN 22 HA ASN 22 4.387 9.986 5.859
150 HB2 ASN 22 1HB ASN 22 1.925 8.766 5.609
151 HB3 ASN 22 2HB ASN 22 2.808 9.457 4.262
152 HD21 ASN 22 1HD2 ASN 22 2.697 8.186 2.585
153 HD22 ASN 22 2HD2 ASN 22 2.886 6.465 2.553
154 H GLY 23 H GLY 23 5.595 8.428 7.964
155 HA2 GLY 23 1HA GLY 23 5.250 7.529 10.027
156 HA3 GLY 23 2HA GLY 23 4.244 8.954 10.195
157 H VAL 24 H VAL 24 4.306 5.454 9.700
158 HA VAL 24 HA VAL 24 1.426 5.427 10.230
159 HB VAL 24 HB VAL 24 2.943 4.045 8.035
160 HG11 VAL 24 1HG1 VAL 24 0.208 3.188 9.033
161 HG12 VAL 24 2HG1 VAL 24 1.154 2.468 7.709
162 HG13 VAL 24 3HG1 VAL 24 1.722 2.322 9.390
163 HG21 VAL 24 3HG2 VAL 24 1.907 5.644 6.863
164 HG22 VAL 24 1HG2 VAL 24 0.389 4.768 7.177
165 HG23 VAL 24 2HG2 VAL 24 0.886 6.101 8.248
166 H LYS 25 H LYS 25 0.716 3.649 11.515
167 HA LYS 25 HA LYS 25 2.919 2.415 12.976
168 HB2 LYS 25 1HB LYS 25 1.360 2.076 14.753
169 HB3 LYS 25 2HB LYS 25 1.189 3.730 14.200
170 HG2 LYS 25 1HG LYS 25 -0.719 2.838 12.665
171 HG3 LYS 25 2HG LYS 25 -0.654 1.376 13.628
172 HD2 LYS 25 1HD LYS 25 -2.021 2.387 15.128
173 HD3 LYS 25 2HD LYS 25 -0.690 3.450 15.542
174 HE2 LYS 25 1HE LYS 25 -2.367 4.988 14.940
175 HE3 LYS 25 2HE LYS 25 -1.451 4.857 13.452
176 HZ1 LYS 25 2HZ LYS 25 -3.917 4.608 13.186
177 HZ3 LYS 25 1HZ LYS 25 -3.850 3.197 13.995
178 HA PRO 26 HA PRO 26 2.080 -1.487 11.336
179 HB2 PRO 26 1HB PRO 26 2.765 -3.166 13.381
180 HB3 PRO 26 2HB PRO 26 3.943 -2.406 12.329
181 HG2 PRO 26 1HG PRO 26 3.250 -1.737 15.124
182 HG3 PRO 26 2HG PRO 26 4.679 -1.295 14.211
183 HD2 PRO 26 1HD PRO 26 2.443 0.393 14.822
184 HD3 PRO 26 2HD PRO 26 3.817 0.798 13.812
185 H GLY 27 H GLY 27 0.624 -3.211 11.064
186 HA2 GLY 27 1HA GLY 27 -1.189 -4.475 11.722
187 HA3 GLY 27 2HA GLY 27 -1.399 -3.475 13.145
188 H THR 28 H THR 28 -0.935 -1.109 10.983
189 HA THR 28 HA THR 28 -3.714 -0.541 10.740
190 HB THR 28 HB THR 28 -1.256 0.786 9.479
191 HG1 THR 28 1HG THR 28 -0.930 1.135 11.646
192 HG21 THR 28 3HG2 THR 28 -3.505 1.592 8.621
193 HG22 THR 28 1HG2 THR 28 -3.977 1.925 10.304
194 HG23 THR 28 2HG2 THR 28 -2.635 2.828 9.561
195 H SER 29 H SER 29 -5.114 -0.713 9.048
196 HA SER 29 HA SER 29 -4.189 -2.443 6.944
197 HB2 SER 29 1HB SER 29 -6.523 -2.792 6.437
198 HB3 SER 29 2HB SER 29 -6.355 -2.846 8.181
199 HG SER 29 HG SER 29 -7.392 -0.694 6.560
200 H PHE 30 H PHE 30 -4.441 -1.922 4.656
201 HA PHE 30 HA PHE 30 -3.715 0.688 4.020
202 HB2 PHE 30 1HB PHE 30 -3.365 -1.513 2.729
203 HB3 PHE 30 2HB PHE 30 -5.069 -1.493 2.321
204 HD1 PHE 30 1HD PHE 30 -5.922 0.609 1.047
205 HD2 PHE 30 2HD PHE 30 -1.832 -0.487 1.315
206 HE1 PHE 30 1HE PHE 30 -5.418 1.990 -0.988
207 HE2 PHE 30 2HE PHE 30 -1.328 0.893 -0.719
208 HZ PHE 30 HZ PHE 30 -3.127 2.115 -1.847
209 H ASP 31 H ASP 31 -6.867 -0.826 4.485
210 HA ASP 31 HA ASP 31 -8.277 1.048 2.922
211 HB2 ASP 31 1HB ASP 31 -8.890 -1.191 4.787
212 HB3 ASP 31 2HB ASP 31 -10.108 0.068 4.765
213 HD2 ASP 31 HD ASP 31 -10.997 -0.172 1.613
214 H ASP 32 H ASP 32 -6.628 1.186 5.915
215 HA ASP 32 HA ASP 32 -8.446 3.196 6.963
216 HB2 ASP 32 1HB ASP 32 -6.843 1.117 8.153
217 HB3 ASP 32 2HB ASP 32 -6.205 2.650 8.712
218 HD2 ASP 32 HD ASP 32 -9.143 3.390 10.527
219 H LEU 33 H LEU 33 -5.442 2.649 5.306
220 HA LEU 33 HA LEU 33 -3.813 4.650 6.287
221 HB2 LEU 33 1HB LEU 33 -4.088 3.207 3.688
222 HB3 LEU 33 2HB LEU 33 -3.038 4.608 3.761
223 HG LEU 33 HG LEU 33 -2.805 2.064 5.384
224 HD11 LEU 33 1HD1 LEU 33 -1.848 1.519 3.383
225 HD12 LEU 33 2HD1 LEU 33 -1.385 3.198 3.013
226 HD13 LEU 33 3HD1 LEU 33 -0.447 2.256 4.197
227 HD21 LEU 33 3HD2 LEU 33 -1.353 4.694 5.669
228 HD22 LEU 33 1HD2 LEU 33 -2.176 3.727 6.916
229 HD23 LEU 33 2HD2 LEU 33 -0.646 3.153 6.210
230 HA PRO 34 HA PRO 34 -5.603 8.333 4.928
231 HB2 PRO 34 1HB PRO 34 -3.433 9.953 4.559
232 HB3 PRO 34 2HB PRO 34 -4.113 9.607 6.136
233 HG2 PRO 34 1HG PRO 34 -1.637 8.552 4.913
234 HG3 PRO 34 2HG PRO 34 -2.109 8.564 6.601
235 HD2 PRO 34 1HD PRO 34 -2.175 6.320 4.815
236 HD3 PRO 34 2HD PRO 34 -2.755 6.361 6.468
237 H ALA 35 H ALA 35 -5.905 9.970 3.209
238 HA ALA 35 HA ALA 35 -5.732 8.580 0.718
239 HB1 ALA 35 1HB ALA 35 -6.453 11.464 0.780
240 HB2 ALA 35 2HB ALA 35 -7.313 10.083 0.057
241 HB3 ALA 35 3HB ALA 35 -7.449 10.401 1.803
242 H ASP 36 H ASP 36 -3.899 11.073 2.463
243 HA ASP 36 HA ASP 36 -2.490 11.851 0.111
244 HB2 ASP 36 1HB ASP 36 -2.029 12.427 3.075
245 HB3 ASP 36 2HB ASP 36 -1.083 13.148 1.789
246 HD2 ASP 36 HD ASP 36 -3.403 15.553 2.761
247 H TRP 37 H TRP 37 -2.524 8.987 1.526
248 HA TRP 37 HA TRP 37 0.202 8.629 2.324
249 HB2 TRP 37 1HB TRP 37 -1.523 7.339 3.385
250 HB3 TRP 37 2HB TRP 37 -2.079 6.710 1.847
251 HD1 TRP 37 HD TRP 37 0.838 6.290 4.342
252 HE1 TRP 37 1HE TRP 37 2.132 4.029 3.922
253 HE3 TRP 37 3HE TRP 37 -1.600 5.081 0.046
254 HZ2 TRP 37 2HZ TRP 37 1.995 2.034 1.887
255 HZ3 TRP 37 3HZ TRP 37 -0.959 2.959 -1.095
256 HH2 TRP 37 HH TRP 37 0.770 1.458 -0.241
257 H VAL 38 H VAL 38 -1.900 7.645 -0.475
258 HA VAL 38 HA VAL 38 -1.354 6.789 -2.462
259 HB VAL 38 HB VAL 38 0.147 8.258 -3.766
260 HG11 VAL 38 1HG1 VAL 38 -2.335 8.813 -2.744
261 HG12 VAL 38 2HG1 VAL 38 -1.414 10.258 -2.263
262 HG13 VAL 38 3HG1 VAL 38 -1.496 9.785 -3.977
263 HG21 VAL 38 3HG2 VAL 38 0.573 9.751 -1.157
264 HG22 VAL 38 1HG2 VAL 38 1.782 8.704 -1.938
265 HG23 VAL 38 2HG2 VAL 38 1.220 10.179 -2.759
266 H CYS 39 H CYS 39 1.083 6.629 -3.920
267 HA CYS 39 HA CYS 39 2.378 4.558 -2.337
268 HB2 CYS 39 1HB CYS 39 1.617 3.723 -4.401
269 HB3 CYS 39 2HB CYS 39 2.208 5.113 -5.290
270 HA PRO 40 HA PRO 40 5.561 7.616 -1.936
271 HB2 PRO 40 1HB PRO 40 6.903 6.417 0.121
272 HB3 PRO 40 2HB PRO 40 5.561 7.517 0.364
273 HG2 PRO 40 1HG PRO 40 5.612 4.572 0.616
274 HG3 PRO 40 2HG PRO 40 4.438 5.708 1.251
275 HD2 PRO 40 1HD PRO 40 4.122 4.017 -1.044
276 HD3 PRO 40 2HD PRO 40 2.997 5.235 -0.477
277 H VAL 41 H VAL 41 5.670 6.015 -4.133
278 HA VAL 41 HA VAL 41 8.537 5.492 -4.140
279 HB VAL 41 HB VAL 41 6.443 3.522 -5.080
280 HG11 VAL 41 1HG1 VAL 41 9.413 3.011 -4.948
281 HG12 VAL 41 2HG1 VAL 41 8.159 2.143 -5.866
282 HG13 VAL 41 3HG1 VAL 41 8.674 3.767 -6.380
283 HG21 VAL 41 3HG2 VAL 41 8.469 3.005 -2.909
284 HG22 VAL 41 1HG2 VAL 41 6.920 3.800 -2.538
285 HG23 VAL 41 2HG2 VAL 41 6.935 2.167 -3.247
286 H CYS 42 H CYS 42 5.423 5.725 -5.960
287 HA CYS 42 HA CYS 42 6.980 6.938 -8.128
288 HB2 CYS 42 1HB CYS 42 5.487 6.064 -9.726
289 HB3 CYS 42 2HB CYS 42 5.947 4.734 -8.683
290 H GLY 43 H GLY 43 3.816 6.813 -6.354
291 HA2 GLY 43 1HA GLY 43 3.344 9.201 -5.512
292 HA3 GLY 43 2HA GLY 43 3.258 9.570 -7.223
293 H ALA 44 H ALA 44 2.102 7.008 -8.088
294 HA ALA 44 HA ALA 44 -0.458 7.428 -8.305
295 HB1 ALA 44 1HB ALA 44 -0.811 4.989 -8.330
296 HB2 ALA 44 2HB ALA 44 0.732 5.413 -9.110
297 HB3 ALA 44 3HB ALA 44 0.722 4.750 -7.458
298 HA PRO 45 HA PRO 45 -2.264 7.673 -4.375
299 HB2 PRO 45 1HB PRO 45 -4.905 7.511 -5.058
300 HB3 PRO 45 2HB PRO 45 -3.975 8.992 -5.172
301 HG2 PRO 45 1HG PRO 45 -4.861 7.188 -7.340
302 HG3 PRO 45 2HG PRO 45 -4.318 8.850 -7.449
303 HD2 PRO 45 1HD PRO 45 -2.815 6.506 -8.136
304 HD3 PRO 45 2HD PRO 45 -2.235 8.160 -8.133
305 H LYS 46 H LYS 46 -3.602 6.573 -2.729
306 HA LYS 46 HA LYS 46 -2.921 3.859 -2.742
307 HB2 LYS 46 1HB LYS 46 -3.874 3.785 -0.622
308 HB3 LYS 46 2HB LYS 46 -3.362 5.454 -0.771
309 HG2 LYS 46 1HG LYS 46 -5.669 6.123 -1.428
310 HG3 LYS 46 2HG LYS 46 -6.192 4.453 -1.345
311 HD2 LYS 46 1HD LYS 46 -4.969 4.874 1.151
312 HD3 LYS 46 2HD LYS 46 -5.783 6.394 0.838
313 HE2 LYS 46 1HE LYS 46 -7.490 5.155 1.874
314 HE3 LYS 46 2HE LYS 46 -7.847 4.888 0.179
315 HZ1 LYS 46 2HZ LYS 46 -6.628 2.776 0.314
316 HZ3 LYS 46 1HZ LYS 46 -7.824 2.795 1.418
317 H SER 47 H SER 47 -5.470 5.615 -4.293
318 HA SER 47 HA SER 47 -7.356 3.515 -4.247
319 HB2 SER 47 1HB SER 47 -7.549 6.154 -4.758
320 HB3 SER 47 2HB SER 47 -7.378 5.602 -6.413
321 HG SER 47 HG SER 47 -9.591 5.614 -5.938
322 H GLU 48 H GLU 48 -4.361 3.909 -5.792
323 HA GLU 48 HA GLU 48 -5.225 2.309 -8.066
324 HB2 GLU 48 1HB GLU 48 -2.696 3.966 -7.663
325 HB3 GLU 48 2HB GLU 48 -3.020 2.989 -9.081
326 HG2 GLU 48 1HG GLU 48 -5.283 4.356 -9.198
327 HG3 GLU 48 2HG GLU 48 -4.460 5.490 -8.145
328 HE2 GLU 48 HE GLU 48 -3.627 4.488 -11.797
329 H PHE 49 H PHE 49 -4.975 1.165 -5.409
330 HA PHE 49 HA PHE 49 -2.575 -0.483 -5.800
331 HB2 PHE 49 1HB PHE 49 -4.038 0.729 -3.437
332 HB3 PHE 49 2HB PHE 49 -3.329 -0.853 -3.180
333 HD1 PHE 49 2HD PHE 49 -2.508 2.608 -4.237
334 HD2 PHE 49 1HD PHE 49 -1.037 -1.076 -2.731
335 HE1 PHE 49 2HE PHE 49 -0.281 3.677 -3.797
336 HE2 PHE 49 1HE PHE 49 1.191 -0.007 -2.291
337 HZ PHE 49 HZ PHE 49 1.542 2.357 -2.829
338 H GLU 50 H GLU 50 -2.870 -2.654 -6.107
339 HA GLU 50 HA GLU 50 -5.592 -3.609 -5.678
340 HB2 GLU 50 1HB GLU 50 -4.283 -3.551 -8.055
341 HB3 GLU 50 2HB GLU 50 -3.722 -5.108 -7.480
342 HG2 GLU 50 1HG GLU 50 -6.494 -5.093 -6.897
343 HG3 GLU 50 2HG GLU 50 -6.373 -4.348 -8.479
344 HE2 GLU 50 HE GLU 50 -5.490 -8.193 -7.931
345 H ALA 51 H ALA 51 -5.810 -5.917 -4.982
346 HA ALA 51 HA ALA 51 -3.695 -6.538 -3.081
347 HB1 ALA 51 1HB ALA 51 -6.497 -6.578 -3.006
348 HB2 ALA 51 2HB ALA 51 -6.031 -8.293 -3.095
349 HB3 ALA 51 3HB ALA 51 -5.393 -7.264 -1.791
350 H ALA 52 H ALA 52 -2.033 -7.709 -3.931
351 HA ALA 52 HA ALA 52 -2.643 -10.270 -5.050
352 HB1 ALA 52 1HB ALA 52 -1.508 -8.037 -6.762
353 HB2 ALA 52 2HB ALA 52 -1.253 -9.756 -7.145
354 HB3 ALA 52 3HB ALA 52 -2.903 -9.089 -7.102
Start of MODEL 12
1 H1 MET 1 H MET 1 -5.669 -8.956 7.462
2 HA MET 1 HA MET 1 -5.558 -6.496 6.280
3 HB2 MET 1 1HB MET 1 -3.293 -7.062 8.258
4 HB3 MET 1 2HB MET 1 -3.068 -5.967 6.909
5 HG2 MET 1 1HG MET 1 -3.754 -4.467 8.572
6 HG3 MET 1 2HG MET 1 -5.291 -4.824 7.810
7 HE1 MET 1 3HE MET 1 -3.393 -7.461 10.516
8 HE2 MET 1 1HE MET 1 -2.740 -5.823 10.274
9 HE3 MET 1 2HE MET 1 -3.617 -6.219 11.772
10 H LYS 2 H LYS 2 -4.259 -6.531 4.334
11 HA LYS 2 HA LYS 2 -2.745 -8.994 3.913
12 HB2 LYS 2 1HB LYS 2 -4.849 -9.608 3.020
13 HB3 LYS 2 2HB LYS 2 -5.098 -8.040 2.280
14 HG2 LYS 2 1HG LYS 2 -4.428 -9.396 0.458
15 HG3 LYS 2 2HG LYS 2 -2.956 -8.545 0.885
16 HD2 LYS 2 1HD LYS 2 -1.920 -10.535 1.195
17 HD3 LYS 2 2HD LYS 2 -3.001 -10.873 2.532
18 HE2 LYS 2 1HE LYS 2 -3.973 -11.343 -0.298
19 HE3 LYS 2 2HE LYS 2 -2.897 -12.515 0.438
20 HZ1 LYS 2 2HZ LYS 2 -4.465 -12.980 2.107
21 HZ3 LYS 2 1HZ LYS 2 -5.409 -12.812 0.790
22 H LYS 3 H LYS 3 -1.092 -8.805 2.282
23 HA LYS 3 HA LYS 3 -0.169 -6.081 2.054
24 HB2 LYS 3 1HB LYS 3 0.996 -8.802 1.800
25 HB3 LYS 3 2HB LYS 3 1.710 -7.564 0.786
26 HG2 LYS 3 1HG LYS 3 2.960 -7.162 2.682
27 HG3 LYS 3 2HG LYS 3 1.591 -6.149 3.091
28 HD2 LYS 3 1HD LYS 3 0.684 -7.743 4.595
29 HD3 LYS 3 2HD LYS 3 1.549 -9.079 3.862
30 HE2 LYS 3 1HE LYS 3 3.721 -7.820 4.656
31 HE3 LYS 3 2HE LYS 3 2.640 -6.918 5.699
32 HZ1 LYS 3 2HZ LYS 3 3.439 -8.855 6.870
33 HZ3 LYS 3 1HZ LYS 3 2.968 -9.870 5.687
34 H TYR 4 H TYR 4 -0.585 -4.780 0.356
35 HA TYR 4 HA TYR 4 -1.607 -6.066 -2.073
36 HB2 TYR 4 1HB TYR 4 -1.590 -3.084 -1.472
37 HB3 TYR 4 2HB TYR 4 -2.823 -4.008 -2.307
38 HD1 TYR 4 1HD TYR 4 -1.463 -3.139 1.027
39 HD2 TYR 4 2HD TYR 4 -4.659 -5.007 -1.118
40 HE1 TYR 4 1HE TYR 4 -2.852 -3.223 3.155
41 HE2 TYR 4 2HE TYR 4 -6.036 -5.085 1.017
42 HH TYR 4 HH TYR 4 -5.615 -5.117 3.429
43 H VAL 5 H VAL 5 -1.202 -3.972 -3.892
44 HA VAL 5 HA VAL 5 1.604 -3.297 -3.828
45 HB VAL 5 HB VAL 5 1.320 -5.673 -4.745
46 HG11 VAL 5 1HG1 VAL 5 -0.571 -5.519 -6.146
47 HG12 VAL 5 2HG1 VAL 5 0.041 -4.059 -6.960
48 HG13 VAL 5 3HG1 VAL 5 0.812 -5.635 -7.260
49 HG21 VAL 5 3HG2 VAL 5 3.171 -3.742 -5.200
50 HG22 VAL 5 1HG2 VAL 5 3.278 -5.395 -5.850
51 HG23 VAL 5 2HG2 VAL 5 2.644 -4.079 -6.866
52 H CYS 6 H CYS 6 2.157 -1.839 -5.715
53 HA CYS 6 HA CYS 6 -0.155 -0.165 -6.212
54 HB2 CYS 6 1HB CYS 6 1.660 1.051 -5.362
55 HB3 CYS 6 2HB CYS 6 2.817 0.249 -6.406
56 H THR 7 H THR 7 -0.897 0.315 -8.344
57 HA THR 7 HA THR 7 -0.384 -1.718 -10.277
58 HB THR 7 HB THR 7 -2.096 -0.457 -11.550
59 HG1 THR 7 1HG THR 7 -1.993 1.463 -9.370
60 HG21 THR 7 3HG2 THR 7 -2.496 -0.737 -8.555
61 HG22 THR 7 1HG2 THR 7 -3.746 0.076 -9.528
62 HG23 THR 7 2HG2 THR 7 -3.305 -1.614 -9.876
63 H VAL 8 H VAL 8 0.047 1.884 -10.459
64 HA VAL 8 HA VAL 8 1.360 2.081 -12.766
65 HB VAL 8 HB VAL 8 2.128 3.451 -10.180
66 HG11 VAL 8 1HG1 VAL 8 2.286 4.915 -12.747
67 HG12 VAL 8 2HG1 VAL 8 3.386 4.921 -11.347
68 HG13 VAL 8 3HG1 VAL 8 3.476 3.606 -12.544
69 HG21 VAL 8 3HG2 VAL 8 -0.191 3.783 -10.411
70 HG22 VAL 8 1HG2 VAL 8 0.542 5.242 -11.120
71 HG23 VAL 8 2HG2 VAL 8 -0.083 3.955 -12.179
72 H CYS 9 H CYS 9 3.241 1.777 -9.668
73 HA CYS 9 HA CYS 9 5.341 0.520 -11.244
74 HB2 CYS 9 1HB CYS 9 6.867 1.220 -9.671
75 HB3 CYS 9 2HB CYS 9 5.720 2.545 -9.710
76 H GLY 10 H GLY 10 6.503 -0.751 -8.795
77 HA2 GLY 10 1HA GLY 10 4.465 -2.826 -8.267
78 HA3 GLY 10 2HA GLY 10 6.098 -3.235 -8.756
79 H TYR 11 H TYR 11 4.382 -1.152 -6.315
80 HA TYR 11 HA TYR 11 6.508 -1.869 -4.414
81 HB2 TYR 11 1HB TYR 11 6.315 0.541 -4.777
82 HB3 TYR 11 2HB TYR 11 4.567 0.461 -4.857
83 HD1 TYR 11 2HD TYR 11 7.124 -0.650 -2.331
84 HD2 TYR 11 1HD TYR 11 3.568 1.599 -3.109
85 HE1 TYR 11 2HE TYR 11 6.976 -0.019 0.128
86 HE2 TYR 11 1HE TYR 11 3.432 2.222 -0.648
87 HH TYR 11 HH TYR 11 4.218 1.231 1.504
88 H GLU 12 H GLU 12 5.994 -3.219 -2.766
89 HA GLU 12 HA GLU 12 3.165 -3.716 -2.361
90 HB2 GLU 12 1HB GLU 12 3.870 -5.808 -1.284
91 HB3 GLU 12 2HB GLU 12 4.614 -5.667 -2.864
92 HG2 GLU 12 1HG GLU 12 6.515 -4.424 -1.300
93 HG3 GLU 12 2HG GLU 12 5.876 -5.592 -0.160
94 HE2 GLU 12 HE GLU 12 6.877 -7.779 -0.542
95 H TYR 13 H TYR 13 2.121 -3.022 -0.532
96 HA TYR 13 HA TYR 13 3.763 -1.692 1.477
97 HB2 TYR 13 1HB TYR 13 1.849 -0.460 0.543
98 HB3 TYR 13 2HB TYR 13 0.808 -1.864 0.662
99 HD1 TYR 13 2HD TYR 13 2.921 0.193 2.999
100 HD2 TYR 13 1HD TYR 13 -0.822 -1.757 2.298
101 HE1 TYR 13 2HE TYR 13 2.067 1.009 5.250
102 HE2 TYR 13 1HE TYR 13 -1.664 -0.934 4.552
103 HH TYR 13 HH TYR 13 -0.161 -0.207 6.878
104 H ASP 14 H ASP 14 3.714 -2.211 3.694
105 HA ASP 14 HA ASP 14 2.586 -4.846 4.199
106 HB2 ASP 14 1HB ASP 14 5.077 -3.449 5.004
107 HB3 ASP 14 2HB ASP 14 4.271 -4.243 6.342
108 HD2 ASP 14 HD ASP 14 4.680 -6.201 3.092
109 HA PRO 15 HA PRO 15 -0.024 -2.310 6.789
110 HB2 PRO 15 1HB PRO 15 -2.049 -4.120 7.088
111 HB3 PRO 15 2HB PRO 15 -1.969 -2.983 5.757
112 HG2 PRO 15 1HG PRO 15 -1.407 -5.885 5.751
113 HG3 PRO 15 2HG PRO 15 -1.746 -4.830 4.393
114 HD2 PRO 15 1HD PRO 15 0.818 -5.846 5.178
115 HD3 PRO 15 2HD PRO 15 0.494 -4.700 3.893
116 H ALA 16 H ALA 16 1.091 -5.529 7.403
117 HA ALA 16 HA ALA 16 0.418 -5.410 10.178
118 HB1 ALA 16 1HB ALA 16 0.699 -7.619 9.894
119 HB2 ALA 16 2HB ALA 16 1.322 -7.342 8.250
120 HB3 ALA 16 3HB ALA 16 2.440 -7.356 9.635
121 H GLU 17 H GLU 17 2.606 -3.699 8.328
122 HA GLU 17 HA GLU 17 4.472 -3.589 10.570
123 HB2 GLU 17 1HB GLU 17 5.384 -4.520 8.372
124 HB3 GLU 17 2HB GLU 17 5.122 -2.938 7.666
125 HG2 GLU 17 1HG GLU 17 7.129 -2.277 8.483
126 HG3 GLU 17 2HG GLU 17 6.494 -2.446 10.108
127 HE2 GLU 17 HE GLU 17 9.406 -3.946 9.932
128 H GLY 18 H GLY 18 3.156 -1.685 7.762
129 HA2 GLY 18 1HA GLY 18 1.920 0.340 8.389
130 HA3 GLY 18 2HA GLY 18 3.213 0.700 9.515
131 H ASP 19 H ASP 19 4.050 2.598 8.647
132 HA ASP 19 HA ASP 19 5.803 2.355 6.528
133 HB2 ASP 19 1HB ASP 19 3.255 2.581 5.533
134 HB3 ASP 19 2HB ASP 19 3.666 4.277 5.684
135 HD2 ASP 19 HD ASP 19 6.267 4.048 3.333
136 HA PRO 20 HA PRO 20 6.721 5.967 8.917
137 HB2 PRO 20 1HB PRO 20 9.288 6.339 8.056
138 HB3 PRO 20 2HB PRO 20 8.864 5.249 9.360
139 HG2 PRO 20 1HG PRO 20 9.628 4.603 6.579
140 HG3 PRO 20 2HG PRO 20 9.616 3.557 7.985
141 HD2 PRO 20 1HD PRO 20 7.683 3.604 5.866
142 HD3 PRO 20 2HD PRO 20 7.612 2.642 7.329
143 H ASP 21 H ASP 21 7.335 5.800 5.479
144 HA ASP 21 HA ASP 21 7.844 8.298 4.840
145 HB2 ASP 21 1HB ASP 21 6.918 6.101 3.480
146 HB3 ASP 21 2HB ASP 21 5.525 7.153 3.329
147 HD2 ASP 21 HD ASP 21 6.293 9.452 2.534
148 H ASN 22 H ASN 22 4.589 6.947 5.703
149 HA ASN 22 HA ASN 22 3.661 9.702 5.947
150 HB2 ASN 22 1HB ASN 22 2.326 7.176 4.958
151 HB3 ASN 22 2HB ASN 22 1.322 8.334 5.808
152 HD21 ASN 22 1HD2 ASN 22 3.781 8.117 3.252
153 HD22 ASN 22 2HD2 ASN 22 3.118 9.323 2.201
154 H GLY 23 H GLY 23 5.135 8.175 7.984
155 HA2 GLY 23 1HA GLY 23 4.955 7.270 10.065
156 HA3 GLY 23 2HA GLY 23 3.925 8.668 10.299
157 H VAL 24 H VAL 24 4.034 5.168 9.733
158 HA VAL 24 HA VAL 24 1.209 5.062 10.502
159 HB VAL 24 HB VAL 24 2.578 3.750 8.171
160 HG11 VAL 24 1HG1 VAL 24 -0.020 2.805 9.428
161 HG12 VAL 24 2HG1 VAL 24 0.749 2.166 7.956
162 HG13 VAL 24 3HG1 VAL 24 1.539 1.954 9.536
163 HG21 VAL 24 3HG2 VAL 24 -0.235 4.765 8.141
164 HG22 VAL 24 1HG2 VAL 24 1.085 5.957 8.213
165 HG23 VAL 24 2HG2 VAL 24 1.009 4.794 6.868
166 H LYS 25 H LYS 25 0.622 3.111 11.676
167 HA LYS 25 HA LYS 25 2.965 1.973 13.007
168 HB2 LYS 25 1HB LYS 25 0.176 2.617 13.829
169 HB3 LYS 25 2HB LYS 25 0.894 1.186 14.540
170 HG2 LYS 25 1HG LYS 25 2.759 2.445 15.436
171 HG3 LYS 25 2HG LYS 25 2.361 3.856 14.476
172 HD2 LYS 25 1HD LYS 25 1.497 4.428 16.593
173 HD3 LYS 25 2HD LYS 25 0.075 3.838 15.756
174 HE2 LYS 25 1HE LYS 25 -0.189 2.149 17.253
175 HE3 LYS 25 2HE LYS 25 1.454 1.595 17.000
176 HZ1 LYS 25 2HZ LYS 25 2.095 3.540 18.522
177 HZ3 LYS 25 1HZ LYS 25 1.383 2.264 19.239
178 HA PRO 26 HA PRO 26 2.176 -1.946 11.382
179 HB2 PRO 26 1HB PRO 26 2.800 -3.650 13.425
180 HB3 PRO 26 2HB PRO 26 4.009 -2.871 12.423
181 HG2 PRO 26 1HG PRO 26 3.220 -2.244 15.202
182 HG3 PRO 26 2HG PRO 26 4.677 -1.783 14.344
183 HD2 PRO 26 1HD PRO 26 2.413 -0.113 14.902
184 HD3 PRO 26 2HD PRO 26 3.818 0.312 13.945
185 H GLY 27 H GLY 27 0.771 -3.734 11.087
186 HA2 GLY 27 1HA GLY 27 -1.084 -4.971 11.592
187 HA3 GLY 27 2HA GLY 27 -1.300 -4.074 13.082
188 H THR 28 H THR 28 -0.787 -1.626 10.951
189 HA THR 28 HA THR 28 -3.568 -0.989 10.799
190 HB THR 28 HB THR 28 -1.033 0.323 9.684
191 HG1 THR 28 1HG THR 28 -0.947 0.876 11.823
192 HG21 THR 28 3HG2 THR 28 -3.860 1.426 10.121
193 HG22 THR 28 1HG2 THR 28 -2.433 2.398 9.685
194 HG23 THR 28 2HG2 THR 28 -3.076 1.197 8.539
195 H SER 29 H SER 29 -4.846 -0.629 8.915
196 HA SER 29 HA SER 29 -4.011 -2.418 6.779
197 HB2 SER 29 1HB SER 29 -6.302 -2.825 6.328
198 HB3 SER 29 2HB SER 29 -6.215 -2.771 8.078
199 HG SER 29 HG SER 29 -7.994 -1.507 7.350
200 H PHE 30 H PHE 30 -4.069 -1.711 4.574
201 HA PHE 30 HA PHE 30 -3.313 0.848 4.056
202 HB2 PHE 30 1HB PHE 30 -3.311 -1.302 2.599
203 HB3 PHE 30 2HB PHE 30 -5.005 -0.998 2.270
204 HD1 PHE 30 2HD PHE 30 -1.586 0.271 1.744
205 HD2 PHE 30 1HD PHE 30 -5.677 0.653 0.682
206 HE1 PHE 30 2HE PHE 30 -0.948 1.740 -0.188
207 HE2 PHE 30 1HE PHE 30 -5.038 2.122 -1.250
208 HZ PHE 30 HZ PHE 30 -2.681 2.648 -1.662
209 H ASP 31 H ASP 31 -6.650 -0.548 3.927
210 HA ASP 31 HA ASP 31 -7.915 1.596 2.843
211 HB2 ASP 31 1HB ASP 31 -8.630 -0.725 4.521
212 HB3 ASP 31 2HB ASP 31 -9.694 0.638 4.803
213 HD2 ASP 31 HD ASP 31 -11.141 -1.343 3.487
214 H ASP 32 H ASP 32 -6.490 1.130 6.041
215 HA ASP 32 HA ASP 32 -8.014 3.128 7.328
216 HB2 ASP 32 1HB ASP 32 -6.726 1.159 8.395
217 HB3 ASP 32 2HB ASP 32 -5.262 2.083 8.124
218 HD2 ASP 32 HD ASP 32 -6.921 1.442 10.790
219 H LEU 33 H LEU 33 -4.916 2.875 5.542
220 HA LEU 33 HA LEU 33 -3.589 5.111 6.293
221 HB2 LEU 33 1HB LEU 33 -3.913 3.913 3.542
222 HB3 LEU 33 2HB LEU 33 -2.742 5.157 3.933
223 HG LEU 33 HG LEU 33 -2.848 2.402 5.193
224 HD11 LEU 33 1HD1 LEU 33 -1.204 3.531 2.931
225 HD12 LEU 33 2HD1 LEU 33 -0.657 2.139 3.896
226 HD13 LEU 33 3HD1 LEU 33 -2.178 2.042 2.977
227 HD21 LEU 33 3HD2 LEU 33 -1.458 4.840 5.937
228 HD22 LEU 33 1HD2 LEU 33 -1.605 3.294 6.806
229 HD23 LEU 33 2HD2 LEU 33 -0.323 3.513 5.591
230 HA PRO 34 HA PRO 34 -5.932 8.524 5.081
231 HB2 PRO 34 1HB PRO 34 -4.023 10.407 4.555
232 HB3 PRO 34 2HB PRO 34 -4.533 9.988 6.178
233 HG2 PRO 34 1HG PRO 34 -2.040 9.252 4.770
234 HG3 PRO 34 2HG PRO 34 -2.383 9.214 6.489
235 HD2 PRO 34 1HD PRO 34 -2.292 6.968 4.707
236 HD3 PRO 34 2HD PRO 34 -2.748 6.946 6.399
237 H ALA 35 H ALA 35 -6.522 10.140 3.390
238 HA ALA 35 HA ALA 35 -6.453 8.755 0.904
239 HB1 ALA 35 1HB ALA 35 -8.327 9.968 0.673
240 HB2 ALA 35 2HB ALA 35 -7.956 10.837 2.181
241 HB3 ALA 35 3HB ALA 35 -7.357 11.459 0.624
242 H ASP 36 H ASP 36 -4.617 11.367 2.464
243 HA ASP 36 HA ASP 36 -3.498 12.297 0.046
244 HB2 ASP 36 1HB ASP 36 -3.468 12.998 2.842
245 HB3 ASP 36 2HB ASP 36 -1.801 12.842 2.327
246 HD2 ASP 36 HD ASP 36 -1.961 15.570 0.172
247 H TRP 37 H TRP 37 -3.236 9.364 1.559
248 HA TRP 37 HA TRP 37 -0.361 9.088 1.494
249 HB2 TRP 37 1HB TRP 37 -1.753 8.029 3.244
250 HB3 TRP 37 2HB TRP 37 -2.524 7.042 2.018
251 HD1 TRP 37 HD TRP 37 0.409 6.991 4.312
252 HE1 TRP 37 1HE TRP 37 2.051 4.976 3.855
253 HE3 TRP 37 3HE TRP 37 -1.571 5.715 -0.194
254 HZ2 TRP 37 2HZ TRP 37 2.331 3.117 1.708
255 HZ3 TRP 37 3HZ TRP 37 -0.555 3.788 -1.406
256 HH2 TRP 37 HH TRP 37 1.330 2.505 -0.524
257 H VAL 38 H VAL 38 0.805 8.078 -0.155
258 HA VAL 38 HA VAL 38 -0.627 6.664 -2.220
259 HB VAL 38 HB VAL 38 0.328 8.091 -4.012
260 HG11 VAL 38 1HG1 VAL 38 -2.046 8.291 -2.921
261 HG12 VAL 38 2HG1 VAL 38 -1.430 9.847 -2.316
262 HG13 VAL 38 3HG1 VAL 38 -1.488 9.534 -4.067
263 HG21 VAL 38 3HG2 VAL 38 1.955 9.162 -2.164
264 HG22 VAL 38 1HG2 VAL 38 1.496 10.015 -3.658
265 HG23 VAL 38 2HG2 VAL 38 0.656 10.380 -2.131
266 H CYS 39 H CYS 39 0.751 5.261 -3.408
267 HA CYS 39 HA CYS 39 2.749 4.067 -2.166
268 HB2 CYS 39 1HB CYS 39 2.158 2.992 -4.082
269 HB3 CYS 39 2HB CYS 39 2.128 4.456 -5.044
270 HA PRO 40 HA PRO 40 5.607 7.493 -2.048
271 HB2 PRO 40 1HB PRO 40 6.915 6.733 0.227
272 HB3 PRO 40 2HB PRO 40 5.495 7.759 0.236
273 HG2 PRO 40 1HG PRO 40 5.722 4.901 0.959
274 HG3 PRO 40 2HG PRO 40 4.447 6.036 1.356
275 HD2 PRO 40 1HD PRO 40 4.358 3.987 -0.649
276 HD3 PRO 40 2HD PRO 40 3.130 5.195 -0.331
277 H VAL 41 H VAL 41 6.142 6.146 -4.103
278 HA VAL 41 HA VAL 41 8.952 5.654 -3.849
279 HB VAL 41 HB VAL 41 9.018 3.439 -3.862
280 HG11 VAL 41 1HG1 VAL 41 6.904 2.244 -3.085
281 HG12 VAL 41 2HG1 VAL 41 7.481 3.582 -2.063
282 HG13 VAL 41 3HG1 VAL 41 6.100 3.830 -3.158
283 HG21 VAL 41 3HG2 VAL 41 8.461 3.253 -6.189
284 HG22 VAL 41 1HG2 VAL 41 7.538 2.011 -5.309
285 HG23 VAL 41 2HG2 VAL 41 6.730 3.501 -5.853
286 H CYS 42 H CYS 42 5.918 5.444 -5.785
287 HA CYS 42 HA CYS 42 7.471 6.535 -8.017
288 HB2 CYS 42 1HB CYS 42 6.620 5.089 -9.520
289 HB3 CYS 42 2HB CYS 42 6.563 4.047 -8.112
290 H GLY 43 H GLY 43 4.246 6.112 -6.414
291 HA2 GLY 43 1HA GLY 43 3.352 8.485 -5.944
292 HA3 GLY 43 2HA GLY 43 3.312 8.592 -7.693
293 H ALA 44 H ALA 44 1.245 8.341 -8.418
294 HA ALA 44 HA ALA 44 -0.814 7.565 -8.650
295 HB1 ALA 44 1HB ALA 44 0.932 5.256 -8.354
296 HB2 ALA 44 2HB ALA 44 -0.706 4.892 -7.759
297 HB3 ALA 44 3HB ALA 44 -0.474 5.481 -9.423
298 HA PRO 45 HA PRO 45 -2.655 7.979 -4.750
299 HB2 PRO 45 1HB PRO 45 -5.286 7.732 -5.445
300 HB3 PRO 45 2HB PRO 45 -4.383 9.223 -5.626
301 HG2 PRO 45 1HG PRO 45 -5.216 7.297 -7.708
302 HG3 PRO 45 2HG PRO 45 -4.703 8.962 -7.895
303 HD2 PRO 45 1HD PRO 45 -3.151 6.615 -8.452
304 HD3 PRO 45 2HD PRO 45 -2.602 8.278 -8.528
305 H LYS 46 H LYS 46 -3.603 6.902 -2.966
306 HA LYS 46 HA LYS 46 -3.010 4.211 -2.918
307 HB2 LYS 46 1HB LYS 46 -3.920 4.206 -0.764
308 HB3 LYS 46 2HB LYS 46 -3.365 5.852 -0.992
309 HG2 LYS 46 1HG LYS 46 -5.461 6.523 -0.429
310 HG3 LYS 46 2HG LYS 46 -5.982 5.930 -1.994
311 HD2 LYS 46 1HD LYS 46 -6.984 4.059 -1.106
312 HD3 LYS 46 2HD LYS 46 -5.709 3.805 0.069
313 HE2 LYS 46 1HE LYS 46 -7.837 4.400 1.196
314 HE3 LYS 46 2HE LYS 46 -6.615 5.619 1.496
315 HZ1 LYS 46 2HZ LYS 46 -7.696 6.694 -0.635
316 HZ3 LYS 46 1HZ LYS 46 -8.379 6.920 0.826
317 H SER 47 H SER 47 -5.646 5.862 -4.439
318 HA SER 47 HA SER 47 -7.516 3.770 -4.214
319 HB2 SER 47 1HB SER 47 -7.475 6.430 -5.189
320 HB3 SER 47 2HB SER 47 -7.871 5.447 -6.584
321 HG SER 47 HG SER 47 -9.703 4.648 -5.562
322 H GLU 48 H GLU 48 -4.577 4.094 -5.912
323 HA GLU 48 HA GLU 48 -5.505 2.327 -8.030
324 HB2 GLU 48 1HB GLU 48 -2.937 3.961 -7.812
325 HB3 GLU 48 2HB GLU 48 -3.354 2.932 -9.168
326 HG2 GLU 48 1HG GLU 48 -5.574 4.345 -9.269
327 HG3 GLU 48 2HG GLU 48 -4.711 5.496 -8.269
328 HE2 GLU 48 HE GLU 48 -4.566 6.074 -11.790
329 H PHE 49 H PHE 49 -5.194 1.351 -5.318
330 HA PHE 49 HA PHE 49 -2.799 -0.315 -5.645
331 HB2 PHE 49 1HB PHE 49 -4.112 1.172 -3.412
332 HB3 PHE 49 2HB PHE 49 -3.745 -0.487 -2.985
333 HD1 PHE 49 2HD PHE 49 -2.281 2.724 -4.030
334 HD2 PHE 49 1HD PHE 49 -1.488 -1.206 -2.640
335 HE1 PHE 49 2HE PHE 49 0.097 3.371 -3.557
336 HE2 PHE 49 1HE PHE 49 0.890 -0.559 -2.166
337 HZ PHE 49 HZ PHE 49 1.655 1.722 -2.631
338 H GLU 50 H GLU 50 -3.028 -2.542 -5.618
339 HA GLU 50 HA GLU 50 -5.696 -3.518 -4.979
340 HB2 GLU 50 1HB GLU 50 -5.714 -4.970 -6.911
341 HB3 GLU 50 2HB GLU 50 -5.355 -3.350 -7.476
342 HG2 GLU 50 1HG GLU 50 -2.905 -3.905 -7.475
343 HG3 GLU 50 2HG GLU 50 -3.282 -5.531 -6.943
344 HE2 GLU 50 HE GLU 50 -3.866 -6.881 -9.612
345 H ALA 51 H ALA 51 -5.713 -5.912 -4.455
346 HA ALA 51 HA ALA 51 -3.373 -6.503 -2.862
347 HB1 ALA 51 1HB ALA 51 -5.173 -8.610 -2.619
348 HB2 ALA 51 2HB ALA 51 -5.090 -7.182 -1.560
349 HB3 ALA 51 3HB ALA 51 -6.225 -7.209 -2.930
350 H ALA 52 H ALA 52 -1.705 -7.726 -3.577
351 HA ALA 52 HA ALA 52 -2.172 -9.315 -5.993
352 HB1 ALA 52 1HB ALA 52 0.494 -9.324 -5.733
353 HB2 ALA 52 2HB ALA 52 -0.373 -7.959 -6.477
354 HB3 ALA 52 3HB ALA 52 0.152 -7.861 -4.778
Start of MODEL 13
1 H1 MET 1 H MET 1 -8.354 -9.624 2.155
2 HA MET 1 HA MET 1 -7.190 -7.276 1.296
3 HB2 MET 1 1HB MET 1 -9.179 -8.188 3.257
4 HB3 MET 1 2HB MET 1 -8.247 -6.865 3.929
5 HG2 MET 1 1HG MET 1 -9.891 -5.650 2.810
6 HG3 MET 1 2HG MET 1 -8.688 -5.745 1.539
7 HE1 MET 1 3HE MET 1 -12.262 -5.609 0.893
8 HE2 MET 1 1HE MET 1 -10.690 -4.968 0.358
9 HE3 MET 1 2HE MET 1 -11.593 -6.093 -0.684
10 H LYS 2 H LYS 2 -4.840 -8.118 1.532
11 HA LYS 2 HA LYS 2 -3.641 -6.735 3.655
12 HB2 LYS 2 1HB LYS 2 -2.748 -8.490 5.003
13 HB3 LYS 2 2HB LYS 2 -4.486 -8.701 4.941
14 HG2 LYS 2 1HG LYS 2 -3.468 -10.152 2.712
15 HG3 LYS 2 2HG LYS 2 -2.383 -10.515 4.038
16 HD2 LYS 2 1HD LYS 2 -4.469 -10.994 5.468
17 HD3 LYS 2 2HD LYS 2 -5.412 -10.874 3.996
18 HE2 LYS 2 1HE LYS 2 -5.000 -13.150 3.934
19 HE3 LYS 2 2HE LYS 2 -3.556 -12.617 3.096
20 HZ1 LYS 2 2HZ LYS 2 -2.285 -12.844 5.068
21 HZ3 LYS 2 1HZ LYS 2 -3.217 -14.180 5.054
22 H LYS 3 H LYS 3 -1.279 -6.730 3.443
23 HA LYS 3 HA LYS 3 0.430 -6.408 2.043
24 HB2 LYS 3 1HB LYS 3 -0.055 -9.386 1.751
25 HB3 LYS 3 2HB LYS 3 1.400 -8.574 1.211
26 HG2 LYS 3 1HG LYS 3 0.537 -8.003 4.028
27 HG3 LYS 3 2HG LYS 3 1.116 -9.627 3.712
28 HD2 LYS 3 1HD LYS 3 2.703 -7.232 2.732
29 HD3 LYS 3 2HD LYS 3 2.838 -7.748 4.401
30 HE2 LYS 3 1HE LYS 3 3.571 -9.990 3.715
31 HE3 LYS 3 2HE LYS 3 3.259 -9.626 2.029
32 HZ1 LYS 3 2HZ LYS 3 4.990 -7.898 2.152
33 HZ3 LYS 3 1HZ LYS 3 5.611 -9.348 2.555
34 H TYR 4 H TYR 4 -0.391 -4.963 0.493
35 HA TYR 4 HA TYR 4 -1.420 -6.238 -1.948
36 HB2 TYR 4 1HB TYR 4 -1.522 -3.268 -1.511
37 HB3 TYR 4 2HB TYR 4 -2.801 -4.329 -2.068
38 HD1 TYR 4 1HD TYR 4 -1.061 -3.058 0.951
39 HD2 TYR 4 2HD TYR 4 -4.439 -5.207 -0.555
40 HE1 TYR 4 1HE TYR 4 -2.166 -2.939 3.238
41 HE2 TYR 4 2HE TYR 4 -5.533 -5.081 1.736
42 HH TYR 4 HH TYR 4 -5.328 -4.463 3.793
43 H VAL 5 H VAL 5 -1.001 -4.351 -3.845
44 HA VAL 5 HA VAL 5 1.766 -3.491 -3.674
45 HB VAL 5 HB VAL 5 1.592 -5.900 -4.545
46 HG11 VAL 5 1HG1 VAL 5 0.372 -6.361 -6.355
47 HG12 VAL 5 2HG1 VAL 5 -0.252 -4.694 -6.305
48 HG13 VAL 5 3HG1 VAL 5 1.182 -5.078 -7.286
49 HG21 VAL 5 3HG2 VAL 5 3.398 -5.542 -6.131
50 HG22 VAL 5 1HG2 VAL 5 2.953 -3.827 -6.297
51 HG23 VAL 5 2HG2 VAL 5 3.585 -4.437 -4.748
52 H CYS 6 H CYS 6 2.324 -2.101 -5.639
53 HA CYS 6 HA CYS 6 0.018 -0.445 -6.159
54 HB2 CYS 6 1HB CYS 6 1.892 0.783 -5.480
55 HB3 CYS 6 2HB CYS 6 2.984 -0.110 -6.520
56 H THR 7 H THR 7 -0.808 -0.044 -8.283
57 HA THR 7 HA THR 7 0.023 -2.053 -10.256
58 HB THR 7 HB THR 7 -2.236 -1.871 -11.081
59 HG1 THR 7 1HG THR 7 -2.436 0.415 -9.258
60 HG21 THR 7 3HG2 THR 7 -2.694 -1.221 -8.144
61 HG22 THR 7 1HG2 THR 7 -3.614 -2.329 -9.191
62 HG23 THR 7 2HG2 THR 7 -1.993 -2.788 -8.616
63 H VAL 8 H VAL 8 1.783 0.127 -9.855
64 HA VAL 8 HA VAL 8 1.551 1.313 -12.502
65 HB VAL 8 HB VAL 8 2.132 2.984 -10.057
66 HG11 VAL 8 1HG1 VAL 8 2.900 3.530 -12.535
67 HG12 VAL 8 2HG1 VAL 8 1.213 4.076 -12.691
68 HG13 VAL 8 3HG1 VAL 8 2.273 4.801 -11.458
69 HG21 VAL 8 3HG2 VAL 8 -0.121 2.461 -9.718
70 HG22 VAL 8 1HG2 VAL 8 -0.191 3.983 -10.638
71 HG23 VAL 8 2HG2 VAL 8 -0.480 2.432 -11.462
72 H CYS 9 H CYS 9 3.456 0.872 -9.460
73 HA CYS 9 HA CYS 9 5.818 0.642 -11.180
74 HB2 CYS 9 1HB CYS 9 7.174 1.626 -9.541
75 HB3 CYS 9 2HB CYS 9 5.774 2.668 -9.699
76 H GLY 10 H GLY 10 4.250 -0.304 -8.040
77 HA2 GLY 10 1HA GLY 10 3.894 -2.619 -7.570
78 HA3 GLY 10 2HA GLY 10 5.389 -3.004 -8.398
79 H TYR 11 H TYR 11 4.015 -1.340 -5.511
80 HA TYR 11 HA TYR 11 6.564 -1.891 -4.148
81 HB2 TYR 11 1HB TYR 11 6.283 0.534 -4.532
82 HB3 TYR 11 2HB TYR 11 4.583 0.459 -4.112
83 HD1 TYR 11 2HD TYR 11 7.762 -0.636 -2.421
84 HD2 TYR 11 1HD TYR 11 4.115 1.584 -2.147
85 HE1 TYR 11 2HE TYR 11 8.320 -0.001 -0.024
86 HE2 TYR 11 1HE TYR 11 4.686 2.212 0.250
87 HH TYR 11 HH TYR 11 6.737 0.667 2.076
88 H GLU 12 H GLU 12 5.881 -3.848 -3.198
89 HA GLU 12 HA GLU 12 3.394 -4.263 -2.121
90 HB2 GLU 12 1HB GLU 12 4.449 -6.147 -0.908
91 HB3 GLU 12 2HB GLU 12 5.005 -6.070 -2.568
92 HG2 GLU 12 1HG GLU 12 6.991 -4.642 -1.629
93 HG3 GLU 12 2HG GLU 12 6.496 -5.231 -0.055
94 HE2 GLU 12 HE GLU 12 8.843 -7.139 -2.278
95 H TYR 13 H TYR 13 2.355 -3.413 -0.370
96 HA TYR 13 HA TYR 13 3.960 -1.875 1.517
97 HB2 TYR 13 1HB TYR 13 1.990 -0.786 0.530
98 HB3 TYR 13 2HB TYR 13 1.009 -2.221 0.749
99 HD1 TYR 13 2HD TYR 13 2.715 0.523 2.605
100 HD2 TYR 13 1HD TYR 13 -0.277 -2.532 2.714
101 HE1 TYR 13 2HE TYR 13 1.844 1.446 4.808
102 HE2 TYR 13 1HE TYR 13 -1.138 -1.600 4.917
103 HH TYR 13 HH TYR 13 0.095 -0.167 6.869
104 H ASP 14 H ASP 14 3.935 -2.229 3.772
105 HA ASP 14 HA ASP 14 2.915 -4.865 4.472
106 HB2 ASP 14 1HB ASP 14 5.471 -3.726 4.790
107 HB3 ASP 14 2HB ASP 14 4.765 -3.596 6.389
108 HD2 ASP 14 HD ASP 14 6.913 -5.944 5.538
109 HA PRO 15 HA PRO 15 0.274 -2.264 6.953
110 HB2 PRO 15 1HB PRO 15 -1.632 -4.145 7.495
111 HB3 PRO 15 2HB PRO 15 -1.664 -3.133 6.064
112 HG2 PRO 15 1HG PRO 15 -0.937 -5.989 6.298
113 HG3 PRO 15 2HG PRO 15 -1.383 -5.084 4.866
114 HD2 PRO 15 1HD PRO 15 1.262 -5.884 5.636
115 HD3 PRO 15 2HD PRO 15 0.827 -4.880 4.267
116 H ALA 16 H ALA 16 1.506 -5.394 7.824
117 HA ALA 16 HA ALA 16 0.943 -5.060 10.591
118 HB1 ALA 16 1HB ALA 16 1.141 -7.275 9.662
119 HB2 ALA 16 2HB ALA 16 2.757 -6.918 9.008
120 HB3 ALA 16 3HB ALA 16 2.516 -7.037 10.767
121 H GLU 17 H GLU 17 3.071 -3.489 8.477
122 HA GLU 17 HA GLU 17 4.959 -3.042 10.654
123 HB2 GLU 17 1HB GLU 17 5.622 -3.961 8.224
124 HB3 GLU 17 2HB GLU 17 5.583 -2.259 7.812
125 HG2 GLU 17 1HG GLU 17 7.860 -2.992 8.530
126 HG3 GLU 17 2HG GLU 17 7.220 -1.733 9.568
127 HE2 GLU 17 HE GLU 17 6.956 -2.180 11.572
128 H GLY 18 H GLY 18 3.369 -1.395 7.825
129 HA2 GLY 18 1HA GLY 18 2.025 0.567 8.358
130 HA3 GLY 18 2HA GLY 18 3.288 1.068 9.465
131 H ASP 19 H ASP 19 4.138 2.924 8.579
132 HA ASP 19 HA ASP 19 5.797 2.705 6.382
133 HB2 ASP 19 1HB ASP 19 3.213 2.904 5.496
134 HB3 ASP 19 2HB ASP 19 3.596 4.607 5.655
135 HD2 ASP 19 HD ASP 19 5.290 1.797 4.163
136 HA PRO 20 HA PRO 20 6.784 6.306 8.764
137 HB2 PRO 20 1HB PRO 20 9.328 6.673 7.837
138 HB3 PRO 20 2HB PRO 20 8.936 5.584 9.153
139 HG2 PRO 20 1HG PRO 20 9.627 4.934 6.353
140 HG3 PRO 20 2HG PRO 20 9.650 3.890 7.760
141 HD2 PRO 20 1HD PRO 20 7.663 3.939 5.692
142 HD3 PRO 20 2HD PRO 20 7.627 2.978 7.157
143 H ASP 21 H ASP 21 7.289 6.131 5.311
144 HA ASP 21 HA ASP 21 7.778 8.654 4.686
145 HB2 ASP 21 1HB ASP 21 6.953 6.455 3.299
146 HB3 ASP 21 2HB ASP 21 5.490 7.413 3.185
147 HD2 ASP 21 HD ASP 21 8.780 7.393 2.605
148 H ASN 22 H ASN 22 4.504 7.219 5.378
149 HA ASN 22 HA ASN 22 3.504 9.943 5.632
150 HB2 ASN 22 1HB ASN 22 2.208 7.302 4.871
151 HB3 ASN 22 2HB ASN 22 1.212 8.572 5.552
152 HD21 ASN 22 1HD2 ASN 22 3.631 7.914 3.045
153 HD22 ASN 22 2HD2 ASN 22 3.028 9.016 1.852
154 H GLY 23 H GLY 23 5.068 8.667 7.728
155 HA2 GLY 23 1HA GLY 23 4.965 7.834 9.849
156 HA3 GLY 23 2HA GLY 23 3.859 9.182 10.026
157 H VAL 24 H VAL 24 4.163 5.668 9.637
158 HA VAL 24 HA VAL 24 1.375 5.435 10.493
159 HB VAL 24 HB VAL 24 2.710 4.136 8.133
160 HG11 VAL 24 1HG1 VAL 24 1.773 2.358 9.641
161 HG12 VAL 24 2HG1 VAL 24 0.173 3.114 9.447
162 HG13 VAL 24 3HG1 VAL 24 1.015 2.436 8.033
163 HG21 VAL 24 3HG2 VAL 24 1.482 5.801 7.213
164 HG22 VAL 24 1HG2 VAL 24 0.141 4.648 7.418
165 HG23 VAL 24 2HG2 VAL 24 0.403 5.933 8.622
166 H LYS 25 H LYS 25 0.942 3.507 11.751
167 HA LYS 25 HA LYS 25 3.401 2.486 12.965
168 HB2 LYS 25 1HB LYS 25 0.701 3.172 13.962
169 HB3 LYS 25 2HB LYS 25 1.375 1.693 14.616
170 HG2 LYS 25 1HG LYS 25 3.117 2.788 15.696
171 HG3 LYS 25 2HG LYS 25 3.241 4.037 14.473
172 HD2 LYS 25 1HD LYS 25 0.697 3.994 16.063
173 HD3 LYS 25 2HD LYS 25 2.144 4.457 16.936
174 HE2 LYS 25 1HE LYS 25 2.622 6.235 15.281
175 HE3 LYS 25 2HE LYS 25 1.260 5.729 14.302
176 HZ1 LYS 25 2HZ LYS 25 0.161 6.131 16.771
177 HZ3 LYS 25 1HZ LYS 25 0.093 7.192 15.537
178 HA PRO 26 HA PRO 26 2.610 -1.504 11.525
179 HB2 PRO 26 1HB PRO 26 3.398 -3.125 13.579
180 HB3 PRO 26 2HB PRO 26 4.525 -2.353 12.481
181 HG2 PRO 26 1HG PRO 26 3.891 -1.651 15.282
182 HG3 PRO 26 2HG PRO 26 5.281 -1.187 14.321
183 HD2 PRO 26 1HD PRO 26 3.016 0.450 14.964
184 HD3 PRO 26 2HD PRO 26 4.349 0.874 13.909
185 H GLY 27 H GLY 27 1.213 -3.302 11.349
186 HA2 GLY 27 1HA GLY 27 -0.552 -4.591 12.066
187 HA3 GLY 27 2HA GLY 27 -0.744 -3.579 13.484
188 H THR 28 H THR 28 -0.422 -1.220 11.297
189 HA THR 28 HA THR 28 -3.188 -0.668 11.172
190 HB THR 28 HB THR 28 -0.770 0.524 9.714
191 HG1 THR 28 1HG THR 28 -0.739 1.801 11.621
192 HG21 THR 28 3HG2 THR 28 -3.545 1.671 10.329
193 HG22 THR 28 1HG2 THR 28 -2.178 2.591 9.656
194 HG23 THR 28 2HG2 THR 28 -2.927 1.287 8.705
195 H SER 29 H SER 29 -4.298 -0.083 9.025
196 HA SER 29 HA SER 29 -3.651 -2.170 7.097
197 HB2 SER 29 1HB SER 29 -5.597 -3.144 7.784
198 HB3 SER 29 2HB SER 29 -6.157 -1.690 8.587
199 HG SER 29 HG SER 29 -6.937 -0.871 6.606
200 H PHE 30 H PHE 30 -3.972 -1.598 4.870
201 HA PHE 30 HA PHE 30 -3.556 1.059 4.239
202 HB2 PHE 30 1HB PHE 30 -3.286 -1.257 2.948
203 HB3 PHE 30 2HB PHE 30 -4.951 -1.009 2.460
204 HD1 PHE 30 2HD PHE 30 -5.537 0.985 1.065
205 HD2 PHE 30 1HD PHE 30 -1.513 -0.071 1.902
206 HE1 PHE 30 2HE PHE 30 -4.764 2.415 -0.847
207 HE2 PHE 30 1HE PHE 30 -0.740 1.358 -0.011
208 HZ PHE 30 HZ PHE 30 -2.374 2.584 -1.363
209 H ASP 31 H ASP 31 -6.572 -0.805 4.645
210 HA ASP 31 HA ASP 31 -8.203 1.032 3.317
211 HB2 ASP 31 1HB ASP 31 -8.551 -1.473 4.323
212 HB3 ASP 31 2HB ASP 31 -9.282 -0.560 5.628
213 HD2 ASP 31 HD ASP 31 -11.254 -1.904 4.554
214 H ASP 32 H ASP 32 -6.404 1.222 6.210
215 HA ASP 32 HA ASP 32 -8.321 3.056 7.406
216 HB2 ASP 32 1HB ASP 32 -6.462 1.068 8.465
217 HB3 ASP 32 2HB ASP 32 -6.101 2.640 9.150
218 HD2 ASP 32 HD ASP 32 -7.414 0.551 10.887
219 H LEU 33 H LEU 33 -5.979 3.173 5.178
220 HA LEU 33 HA LEU 33 -4.119 5.011 6.309
221 HB2 LEU 33 1HB LEU 33 -4.671 3.875 3.597
222 HB3 LEU 33 2HB LEU 33 -3.645 5.289 3.741
223 HG LEU 33 HG LEU 33 -3.138 2.712 5.246
224 HD11 LEU 33 1HD1 LEU 33 -3.118 2.598 2.653
225 HD12 LEU 33 2HD1 LEU 33 -1.605 3.525 2.791
226 HD13 LEU 33 3HD1 LEU 33 -1.745 1.930 3.567
227 HD21 LEU 33 3HD2 LEU 33 -2.089 4.624 6.278
228 HD22 LEU 33 1HD2 LEU 33 -0.848 3.635 5.471
229 HD23 LEU 33 2HD2 LEU 33 -1.412 5.145 4.717
230 HA PRO 34 HA PRO 34 -6.171 8.727 5.531
231 HB2 PRO 34 1HB PRO 34 -4.185 10.439 4.761
232 HB3 PRO 34 2HB PRO 34 -4.468 9.989 6.431
233 HG2 PRO 34 1HG PRO 34 -2.325 9.085 4.606
234 HG3 PRO 34 2HG PRO 34 -2.389 8.994 6.355
235 HD2 PRO 34 1HD PRO 34 -2.822 6.843 4.507
236 HD3 PRO 34 2HD PRO 34 -2.999 6.780 6.249
237 H ALA 35 H ALA 35 -6.804 10.511 4.008
238 HA ALA 35 HA ALA 35 -7.074 9.235 1.420
239 HB1 ALA 35 1HB ALA 35 -8.367 11.700 1.350
240 HB2 ALA 35 2HB ALA 35 -9.116 10.138 1.759
241 HB3 ALA 35 3HB ALA 35 -8.517 11.203 3.053
242 H ASP 36 H ASP 36 -4.456 10.411 2.537
243 HA ASP 36 HA ASP 36 -3.986 12.088 0.211
244 HB2 ASP 36 1HB ASP 36 -3.902 12.925 2.949
245 HB3 ASP 36 2HB ASP 36 -2.235 12.819 2.420
246 HD2 ASP 36 HD ASP 36 -2.327 15.671 0.638
247 H TRP 37 H TRP 37 -3.479 9.185 1.519
248 HA TRP 37 HA TRP 37 -0.581 9.126 1.479
249 HB2 TRP 37 1HB TRP 37 -1.898 7.905 3.190
250 HB3 TRP 37 2HB TRP 37 -2.579 6.902 1.925
251 HD1 TRP 37 HD TRP 37 0.343 7.017 4.234
252 HE1 TRP 37 1HE TRP 37 2.146 5.160 3.720
253 HE3 TRP 37 3HE TRP 37 -1.516 5.730 -0.320
254 HZ2 TRP 37 2HZ TRP 37 2.582 3.401 1.515
255 HZ3 TRP 37 3HZ TRP 37 -0.343 3.934 -1.589
256 HH2 TRP 37 HH TRP 37 1.640 2.782 -0.741
257 H VAL 38 H VAL 38 0.645 8.100 -0.156
258 HA VAL 38 HA VAL 38 -0.779 6.829 -2.331
259 HB VAL 38 HB VAL 38 0.400 8.296 -3.992
260 HG11 VAL 38 1HG1 VAL 38 -1.445 10.085 -2.474
261 HG12 VAL 38 2HG1 VAL 38 -1.440 9.634 -4.196
262 HG13 VAL 38 3HG1 VAL 38 -2.070 8.497 -2.980
263 HG21 VAL 38 3HG2 VAL 38 1.281 10.412 -3.376
264 HG22 VAL 38 1HG2 VAL 38 0.668 10.270 -1.711
265 HG23 VAL 38 2HG2 VAL 38 2.010 9.236 -2.257
266 H CYS 39 H CYS 39 0.648 5.544 -3.679
267 HA CYS 39 HA CYS 39 2.513 4.134 -2.369
268 HB2 CYS 39 1HB CYS 39 1.728 3.324 -4.429
269 HB3 CYS 39 2HB CYS 39 2.232 4.760 -5.298
270 HA PRO 40 HA PRO 40 5.567 7.345 -1.994
271 HB2 PRO 40 1HB PRO 40 6.889 6.275 0.145
272 HB3 PRO 40 2HB PRO 40 5.516 7.353 0.308
273 HG2 PRO 40 1HG PRO 40 5.630 4.425 0.698
274 HG3 PRO 40 2HG PRO 40 4.416 5.560 1.253
275 HD2 PRO 40 1HD PRO 40 4.192 3.758 -0.967
276 HD3 PRO 40 2HD PRO 40 3.026 4.973 -0.481
277 H VAL 41 H VAL 41 5.844 5.875 -4.166
278 HA VAL 41 HA VAL 41 8.692 5.331 -4.052
279 HB VAL 41 HB VAL 41 6.639 3.298 -4.947
280 HG11 VAL 41 1HG1 VAL 41 9.566 3.571 -5.462
281 HG12 VAL 41 2HG1 VAL 41 8.946 1.944 -5.089
282 HG13 VAL 41 3HG1 VAL 41 8.284 2.854 -6.468
283 HG21 VAL 41 3HG2 VAL 41 8.011 1.921 -3.187
284 HG22 VAL 41 1HG2 VAL 41 8.439 3.526 -2.549
285 HG23 VAL 41 2HG2 VAL 41 6.731 3.033 -2.647
286 H CYS 42 H CYS 42 5.667 5.280 -6.057
287 HA CYS 42 HA CYS 42 7.258 6.517 -8.181
288 HB2 CYS 42 1HB CYS 42 5.879 5.542 -9.789
289 HB3 CYS 42 2HB CYS 42 6.205 4.266 -8.632
290 H GLY 43 H GLY 43 4.187 6.513 -6.290
291 HA2 GLY 43 1HA GLY 43 3.627 8.876 -5.603
292 HA3 GLY 43 2HA GLY 43 3.606 9.221 -7.321
293 H ALA 44 H ALA 44 2.510 6.498 -8.029
294 HA ALA 44 HA ALA 44 -0.018 6.895 -8.486
295 HB1 ALA 44 1HB ALA 44 1.415 4.441 -7.488
296 HB2 ALA 44 2HB ALA 44 -0.340 4.369 -7.778
297 HB3 ALA 44 3HB ALA 44 0.766 4.795 -9.107
298 HA PRO 45 HA PRO 45 -2.104 7.661 -4.766
299 HB2 PRO 45 1HB PRO 45 -4.689 7.447 -5.626
300 HB3 PRO 45 2HB PRO 45 -3.721 8.890 -5.852
301 HG2 PRO 45 1HG PRO 45 -4.481 6.839 -7.840
302 HG3 PRO 45 2HG PRO 45 -3.895 8.468 -8.112
303 HD2 PRO 45 1HD PRO 45 -2.397 6.037 -8.384
304 HD3 PRO 45 2HD PRO 45 -1.782 7.671 -8.543
305 H LYS 46 H LYS 46 -3.400 6.778 -3.035
306 HA LYS 46 HA LYS 46 -2.832 4.098 -2.666
307 HB2 LYS 46 1HB LYS 46 -4.060 4.275 -0.666
308 HB3 LYS 46 2HB LYS 46 -3.383 5.868 -0.936
309 HG2 LYS 46 1HG LYS 46 -5.613 6.475 -2.095
310 HG3 LYS 46 2HG LYS 46 -6.246 4.965 -1.468
311 HD2 LYS 46 1HD LYS 46 -4.925 7.026 0.346
312 HD3 LYS 46 2HD LYS 46 -6.632 7.101 -0.044
313 HE2 LYS 46 1HE LYS 46 -5.592 4.441 0.889
314 HE3 LYS 46 2HE LYS 46 -5.663 5.716 2.090
315 HZ1 LYS 46 2HZ LYS 46 -7.769 4.201 1.432
316 HZ3 LYS 46 1HZ LYS 46 -8.042 5.467 0.444
317 H SER 47 H SER 47 -5.434 5.692 -4.427
318 HA SER 47 HA SER 47 -7.216 3.536 -4.347
319 HB2 SER 47 1HB SER 47 -6.976 6.133 -5.727
320 HB3 SER 47 2HB SER 47 -7.744 4.915 -6.726
321 HG SER 47 HG SER 47 -8.711 4.840 -4.125
322 H GLU 48 H GLU 48 -4.152 3.876 -5.775
323 HA GLU 48 HA GLU 48 -4.850 2.084 -7.956
324 HB2 GLU 48 1HB GLU 48 -2.482 3.919 -7.458
325 HB3 GLU 48 2HB GLU 48 -2.403 2.651 -8.665
326 HG2 GLU 48 1HG GLU 48 -4.783 3.735 -9.386
327 HG3 GLU 48 2HG GLU 48 -4.073 5.153 -8.639
328 HE2 GLU 48 HE GLU 48 -1.616 5.685 -10.679
329 H PHE 49 H PHE 49 -4.803 1.170 -5.179
330 HA PHE 49 HA PHE 49 -2.528 -0.672 -5.381
331 HB2 PHE 49 1HB PHE 49 -3.401 1.236 -3.303
332 HB3 PHE 49 2HB PHE 49 -3.416 -0.395 -2.660
333 HD1 PHE 49 1HD PHE 49 -1.216 -1.796 -3.258
334 HD2 PHE 49 2HD PHE 49 -1.446 2.438 -3.110
335 HE1 PHE 49 1HE PHE 49 1.264 -1.674 -2.889
336 HE2 PHE 49 2HE PHE 49 1.033 2.561 -2.741
337 HZ PHE 49 HZ PHE 49 2.359 0.503 -2.634
338 H GLU 50 H GLU 50 -2.987 -2.846 -5.084
339 HA GLU 50 HA GLU 50 -5.508 -3.546 -3.909
340 HB2 GLU 50 1HB GLU 50 -6.286 -4.872 -5.827
341 HB3 GLU 50 2HB GLU 50 -6.107 -3.191 -6.289
342 HG2 GLU 50 1HG GLU 50 -3.811 -3.741 -7.215
343 HG3 GLU 50 2HG GLU 50 -4.104 -5.429 -6.848
344 HE2 GLU 50 HE GLU 50 -6.948 -5.616 -8.297
345 H ALA 51 H ALA 51 -5.663 -5.963 -3.549
346 HA ALA 51 HA ALA 51 -3.039 -6.949 -2.870
347 HB1 ALA 51 1HB ALA 51 -5.147 -8.837 -2.369
348 HB2 ALA 51 2HB ALA 51 -4.223 -7.865 -1.198
349 HB3 ALA 51 3HB ALA 51 -5.720 -7.216 -1.910
350 H ALA 52 H ALA 52 -1.825 -8.188 -4.202
351 HA ALA 52 HA ALA 52 -3.118 -9.322 -6.543
352 HB1 ALA 52 1HB ALA 52 -0.193 -9.635 -6.030
353 HB2 ALA 52 2HB ALA 52 -1.051 -9.187 -7.524
354 HB3 ALA 52 3HB ALA 52 -0.795 -7.974 -6.246
Start of MODEL 14
1 H1 MET 1 H MET 1 -7.033 -10.002 -0.313
2 HA MET 1 HA MET 1 -6.365 -10.985 1.956
3 HB2 MET 1 1HB MET 1 -5.271 -11.374 -0.802
4 HB3 MET 1 2HB MET 1 -4.271 -12.064 0.461
5 HG2 MET 1 1HG MET 1 -5.864 -13.649 1.061
6 HG3 MET 1 2HG MET 1 -7.215 -12.599 0.684
7 HE1 MET 1 3HE MET 1 -7.414 -12.225 -2.816
8 HE2 MET 1 1HE MET 1 -8.570 -13.443 -2.225
9 HE3 MET 1 2HE MET 1 -8.119 -12.067 -1.189
10 H LYS 2 H LYS 2 -5.541 -8.326 2.369
11 HA LYS 2 HA LYS 2 -3.915 -7.059 3.177
12 HB2 LYS 2 1HB LYS 2 -3.635 -9.705 4.379
13 HB3 LYS 2 2HB LYS 2 -2.123 -8.820 4.392
14 HG2 LYS 2 1HG LYS 2 -3.226 -8.161 6.404
15 HG3 LYS 2 2HG LYS 2 -3.449 -6.808 5.314
16 HD2 LYS 2 1HD LYS 2 -5.575 -8.884 5.126
17 HD3 LYS 2 2HD LYS 2 -5.488 -8.088 6.685
18 HE2 LYS 2 1HE LYS 2 -6.269 -6.101 5.854
19 HE3 LYS 2 2HE LYS 2 -5.255 -6.190 4.427
20 HZ1 LYS 2 2HZ LYS 2 -6.901 -7.970 3.645
21 HZ3 LYS 2 1HZ LYS 2 -7.447 -6.436 3.639
22 H LYS 3 H LYS 3 -1.284 -6.898 3.352
23 HA LYS 3 HA LYS 3 0.415 -6.316 2.027
24 HB2 LYS 3 1HB LYS 3 0.354 -9.205 1.142
25 HB3 LYS 3 2HB LYS 3 1.747 -8.165 1.354
26 HG2 LYS 3 1HG LYS 3 -0.120 -8.984 3.628
27 HG3 LYS 3 2HG LYS 3 1.374 -9.817 3.248
28 HD2 LYS 3 1HD LYS 3 2.686 -7.781 3.686
29 HD3 LYS 3 2HD LYS 3 1.225 -6.837 3.898
30 HE2 LYS 3 1HE LYS 3 1.897 -7.330 6.122
31 HE3 LYS 3 2HE LYS 3 0.624 -8.494 5.812
32 HZ1 LYS 3 2HZ LYS 3 2.425 -9.717 6.708
33 HZ3 LYS 3 1HZ LYS 3 3.542 -8.996 5.767
34 H TYR 4 H TYR 4 -0.476 -4.819 0.575
35 HA TYR 4 HA TYR 4 -1.497 -5.935 -1.935
36 HB2 TYR 4 1HB TYR 4 -1.405 -2.990 -1.209
37 HB3 TYR 4 2HB TYR 4 -2.684 -3.862 -2.030
38 HD1 TYR 4 1HD TYR 4 -1.194 -3.137 1.286
39 HD2 TYR 4 2HD TYR 4 -4.511 -4.838 -0.815
40 HE1 TYR 4 1HE TYR 4 -2.517 -3.253 3.453
41 HE2 TYR 4 2HE TYR 4 -5.823 -4.948 1.360
42 HH TYR 4 HH TYR 4 -5.260 -3.256 3.889
43 H VAL 5 H VAL 5 -1.025 -3.812 -3.663
44 HA VAL 5 HA VAL 5 1.805 -3.213 -3.543
45 HB VAL 5 HB VAL 5 1.439 -5.510 -4.609
46 HG11 VAL 5 1HG1 VAL 5 0.387 -5.757 -6.617
47 HG12 VAL 5 2HG1 VAL 5 -0.539 -4.362 -6.016
48 HG13 VAL 5 3HG1 VAL 5 0.798 -4.114 -7.164
49 HG21 VAL 5 3HG2 VAL 5 2.872 -3.317 -6.146
50 HG22 VAL 5 1HG2 VAL 5 3.534 -4.291 -4.811
51 HG23 VAL 5 2HG2 VAL 5 3.134 -5.064 -6.364
52 H CYS 6 H CYS 6 2.345 -1.357 -4.754
53 HA CYS 6 HA CYS 6 0.550 0.596 -4.991
54 HB2 CYS 6 1HB CYS 6 2.677 1.343 -5.284
55 HB3 CYS 6 2HB CYS 6 3.128 0.024 -6.347
56 H THR 7 H THR 7 1.400 -1.879 -7.496
57 HA THR 7 HA THR 7 0.268 -2.651 -9.249
58 HB THR 7 HB THR 7 -2.044 -1.155 -7.908
59 HG1 THR 7 1HG THR 7 -2.337 -3.284 -7.041
60 HG21 THR 7 3HG2 THR 7 -3.112 -1.628 -9.914
61 HG22 THR 7 1HG2 THR 7 -1.878 -2.816 -10.398
62 HG23 THR 7 2HG2 THR 7 -3.154 -3.278 -9.246
63 H VAL 8 H VAL 8 1.898 -0.311 -9.461
64 HA VAL 8 HA VAL 8 0.783 0.685 -11.926
65 HB VAL 8 HB VAL 8 1.677 2.753 -9.957
66 HG11 VAL 8 1HG1 VAL 8 0.052 2.650 -12.485
67 HG12 VAL 8 2HG1 VAL 8 -0.180 3.991 -11.337
68 HG13 VAL 8 3HG1 VAL 8 1.423 3.701 -12.056
69 HG21 VAL 8 3HG2 VAL 8 -1.181 1.742 -10.141
70 HG22 VAL 8 1HG2 VAL 8 -0.065 1.408 -8.794
71 HG23 VAL 8 2HG2 VAL 8 -0.578 3.079 -9.132
72 H CYS 9 H CYS 9 3.381 0.781 -9.423
73 HA CYS 9 HA CYS 9 5.284 0.807 -11.649
74 HB2 CYS 9 1HB CYS 9 6.709 2.281 -10.578
75 HB3 CYS 9 2HB CYS 9 5.122 2.974 -10.313
76 H GLY 10 H GLY 10 4.678 0.037 -8.150
77 HA2 GLY 10 1HA GLY 10 4.981 -2.472 -7.814
78 HA3 GLY 10 2HA GLY 10 6.619 -2.174 -8.363
79 H TYR 11 H TYR 11 4.432 -2.093 -5.673
80 HA TYR 11 HA TYR 11 6.550 -1.589 -3.862
81 HB2 TYR 11 1HB TYR 11 6.016 0.745 -4.669
82 HB3 TYR 11 2HB TYR 11 4.315 0.476 -4.349
83 HD1 TYR 11 2HD TYR 11 7.584 0.304 -2.501
84 HD2 TYR 11 1HD TYR 11 3.445 1.384 -2.402
85 HE1 TYR 11 2HE TYR 11 7.873 1.224 -0.149
86 HE2 TYR 11 1HE TYR 11 3.749 2.301 -0.050
87 HH TYR 11 HH TYR 11 6.491 3.146 1.213
88 H GLU 12 H GLU 12 6.026 -3.248 -2.508
89 HA GLU 12 HA GLU 12 3.240 -3.725 -1.977
90 HB2 GLU 12 1HB GLU 12 5.796 -5.231 -1.670
91 HB3 GLU 12 2HB GLU 12 4.592 -5.555 -0.439
92 HG2 GLU 12 1HG GLU 12 3.175 -6.614 -1.908
93 HG3 GLU 12 2HG GLU 12 3.491 -5.472 -3.199
94 HE2 GLU 12 HE GLU 12 3.558 -8.129 -3.899
95 H TYR 13 H TYR 13 2.173 -2.960 -0.198
96 HA TYR 13 HA TYR 13 3.805 -1.673 1.859
97 HB2 TYR 13 1HB TYR 13 2.053 -0.286 0.873
98 HB3 TYR 13 2HB TYR 13 0.917 -1.620 0.837
99 HD1 TYR 13 1HD TYR 13 -0.335 -2.267 2.844
100 HD2 TYR 13 2HD TYR 13 2.426 1.000 2.922
101 HE1 TYR 13 1HE TYR 13 -1.326 -1.473 5.046
102 HE2 TYR 13 2HE TYR 13 1.426 1.783 5.125
103 HH TYR 13 HH TYR 13 -0.284 -0.036 7.073
104 H ASP 14 H ASP 14 3.770 -2.291 4.012
105 HA ASP 14 HA ASP 14 2.347 -4.779 4.491
106 HB2 ASP 14 1HB ASP 14 4.942 -3.638 5.333
107 HB3 ASP 14 2HB ASP 14 4.036 -4.297 6.681
108 HD2 ASP 14 HD ASP 14 5.080 -7.383 6.081
109 HA PRO 15 HA PRO 15 -0.130 -2.153 7.081
110 HB2 PRO 15 1HB PRO 15 -2.118 -3.955 7.602
111 HB3 PRO 15 2HB PRO 15 -2.105 -2.926 6.183
112 HG2 PRO 15 1HG PRO 15 -1.505 -5.813 6.383
113 HG3 PRO 15 2HG PRO 15 -1.910 -4.872 4.962
114 HD2 PRO 15 1HD PRO 15 0.696 -5.797 5.722
115 HD3 PRO 15 2HD PRO 15 0.307 -4.760 4.364
116 H ALA 16 H ALA 16 0.947 -5.351 7.918
117 HA ALA 16 HA ALA 16 0.457 -4.918 10.709
118 HB1 ALA 16 1HB ALA 16 0.296 -7.161 10.084
119 HB2 ALA 16 2HB ALA 16 1.695 -7.064 8.987
120 HB3 ALA 16 3HB ALA 16 1.946 -7.087 10.749
121 H GLU 17 H GLU 17 2.701 -3.706 8.488
122 HA GLU 17 HA GLU 17 4.562 -3.238 10.678
123 HB2 GLU 17 1HB GLU 17 5.336 -4.944 8.863
124 HB3 GLU 17 2HB GLU 17 5.488 -3.557 7.804
125 HG2 GLU 17 1HG GLU 17 7.652 -4.000 8.873
126 HG3 GLU 17 2HG GLU 17 7.027 -2.466 9.446
127 HE2 GLU 17 HE GLU 17 7.626 -3.316 12.504
128 H GLY 18 H GLY 18 2.227 -1.717 9.467
129 HA2 GLY 18 1HA GLY 18 1.726 0.336 8.667
130 HA3 GLY 18 2HA GLY 18 3.070 0.844 9.672
131 H ASP 19 H ASP 19 4.001 2.433 8.377
132 HA ASP 19 HA ASP 19 5.737 1.628 6.417
133 HB2 ASP 19 1HB ASP 19 3.369 1.428 5.242
134 HB3 ASP 19 2HB ASP 19 3.453 3.176 5.156
135 HD2 ASP 19 HD ASP 19 5.342 3.981 4.136
136 HA PRO 20 HA PRO 20 6.715 5.745 7.672
137 HB2 PRO 20 1HB PRO 20 9.207 5.919 6.564
138 HB3 PRO 20 2HB PRO 20 8.901 5.180 8.123
139 HG2 PRO 20 1HG PRO 20 9.494 3.874 5.538
140 HG3 PRO 20 2HG PRO 20 9.606 3.209 7.156
141 HD2 PRO 20 1HD PRO 20 7.534 2.712 5.235
142 HD3 PRO 20 2HD PRO 20 7.587 2.140 6.891
143 H ASP 21 H ASP 21 8.110 7.697 6.414
144 HA ASP 21 HA ASP 21 8.188 8.941 4.569
145 HB2 ASP 21 1HB ASP 21 7.384 6.769 3.285
146 HB3 ASP 21 2HB ASP 21 5.804 7.523 3.338
147 HD2 ASP 21 HD ASP 21 8.672 7.370 1.822
148 H ASN 22 H ASN 22 5.103 7.770 5.977
149 HA ASN 22 HA ASN 22 4.137 10.520 5.865
150 HB2 ASN 22 1HB ASN 22 2.678 7.869 5.536
151 HB3 ASN 22 2HB ASN 22 1.802 9.274 6.113
152 HD21 ASN 22 1HD2 ASN 22 3.991 8.172 3.547
153 HD22 ASN 22 2HD2 ASN 22 3.340 9.137 2.264
154 H GLY 23 H GLY 23 4.338 7.369 7.608
155 HA2 GLY 23 1HA GLY 23 4.919 7.478 9.958
156 HA3 GLY 23 2HA GLY 23 3.781 8.798 10.137
157 H VAL 24 H VAL 24 3.960 5.332 9.080
158 HA VAL 24 HA VAL 24 1.252 5.014 10.179
159 HB VAL 24 HB VAL 24 2.636 3.682 7.851
160 HG11 VAL 24 1HG1 VAL 24 0.952 2.064 7.694
161 HG12 VAL 24 2HG1 VAL 24 1.319 2.112 9.435
162 HG13 VAL 24 3HG1 VAL 24 -0.128 2.937 8.807
163 HG21 VAL 24 3HG2 VAL 24 -0.080 4.645 7.444
164 HG22 VAL 24 1HG2 VAL 24 0.998 5.942 8.012
165 HG23 VAL 24 2HG2 VAL 24 1.410 5.020 6.546
166 H LYS 25 H LYS 25 1.059 3.688 11.918
167 HA LYS 25 HA LYS 25 3.457 2.381 12.846
168 HB2 LYS 25 1HB LYS 25 2.386 2.223 14.917
169 HB3 LYS 25 2HB LYS 25 1.833 3.754 14.268
170 HG2 LYS 25 1HG LYS 25 -0.330 3.062 14.281
171 HG3 LYS 25 2HG LYS 25 0.064 1.625 13.360
172 HD2 LYS 25 1HD LYS 25 -0.086 0.317 15.208
173 HD3 LYS 25 2HD LYS 25 1.066 1.316 16.072
174 HE2 LYS 25 1HE LYS 25 -0.575 2.502 17.172
175 HE3 LYS 25 2HE LYS 25 -1.629 2.549 15.773
176 HZ1 LYS 25 2HZ LYS 25 -1.327 0.344 17.718
177 HZ3 LYS 25 1HZ LYS 25 -1.980 0.065 16.252
178 HA PRO 26 HA PRO 26 2.368 -1.619 11.645
179 HB2 PRO 26 1HB PRO 26 3.213 -3.192 13.714
180 HB3 PRO 26 2HB PRO 26 4.299 -2.528 12.509
181 HG2 PRO 26 1HG PRO 26 3.896 -1.676 15.311
182 HG3 PRO 26 2HG PRO 26 5.238 -1.327 14.240
183 HD2 PRO 26 1HD PRO 26 3.108 0.454 14.958
184 HD3 PRO 26 2HD PRO 26 4.385 0.761 13.798
185 H GLY 27 H GLY 27 0.779 -3.192 11.529
186 HA2 GLY 27 1HA GLY 27 -0.974 -4.403 12.450
187 HA3 GLY 27 2HA GLY 27 -1.009 -3.335 13.840
188 H THR 28 H THR 28 -0.650 -1.436 11.036
189 HA THR 28 HA THR 28 -3.501 -0.778 11.116
190 HB THR 28 HB THR 28 -1.144 0.722 9.864
191 HG1 THR 28 1HG THR 28 -1.409 1.885 11.996
192 HG21 THR 28 3HG2 THR 28 -3.875 1.215 9.628
193 HG22 THR 28 1HG2 THR 28 -3.451 2.151 11.082
194 HG23 THR 28 2HG2 THR 28 -2.613 2.468 9.543
195 H SER 29 H SER 29 -4.828 -0.729 9.298
196 HA SER 29 HA SER 29 -3.820 -2.430 7.185
197 HB2 SER 29 1HB SER 29 -6.136 -2.834 6.615
198 HB3 SER 29 2HB SER 29 -5.984 -2.979 8.355
199 HG SER 29 HG SER 29 -6.540 -0.367 7.663
200 H PHE 30 H PHE 30 -3.910 -1.802 4.946
201 HA PHE 30 HA PHE 30 -3.344 0.861 4.439
202 HB2 PHE 30 1HB PHE 30 -2.843 -1.288 3.085
203 HB3 PHE 30 2HB PHE 30 -4.521 -1.289 2.578
204 HD1 PHE 30 2HD PHE 30 -5.355 0.847 1.353
205 HD2 PHE 30 1HD PHE 30 -1.257 -0.150 1.822
206 HE1 PHE 30 2HE PHE 30 -4.771 2.338 -0.579
207 HE2 PHE 30 1HE PHE 30 -0.673 1.342 -0.110
208 HZ PHE 30 HZ PHE 30 -2.437 2.568 -1.288
209 H ASP 31 H ASP 31 -6.409 -0.763 4.864
210 HA ASP 31 HA ASP 31 -7.908 0.962 3.229
211 HB2 ASP 31 1HB ASP 31 -8.364 -1.393 4.658
212 HB3 ASP 31 2HB ASP 31 -9.287 -0.220 5.576
213 HD2 ASP 31 HD ASP 31 -11.532 0.532 3.878
214 H ASP 32 H ASP 32 -6.201 1.408 6.138
215 HA ASP 32 HA ASP 32 -8.114 3.349 7.139
216 HB2 ASP 32 1HB ASP 32 -6.582 1.443 8.450
217 HB3 ASP 32 2HB ASP 32 -5.587 2.873 8.641
218 HD2 ASP 32 HD ASP 32 -8.186 4.690 9.987
219 H LEU 33 H LEU 33 -5.238 2.960 5.272
220 HA LEU 33 HA LEU 33 -3.678 5.109 6.025
221 HB2 LEU 33 1HB LEU 33 -4.089 3.568 3.495
222 HB3 LEU 33 2HB LEU 33 -3.109 5.021 3.458
223 HG LEU 33 HG LEU 33 -2.596 2.696 5.330
224 HD11 LEU 33 1HD1 LEU 33 -1.342 3.303 2.639
225 HD12 LEU 33 2HD1 LEU 33 -0.753 2.088 3.799
226 HD13 LEU 33 3HD1 LEU 33 -2.361 1.905 3.056
227 HD21 LEU 33 3HD2 LEU 33 -0.468 3.712 5.754
228 HD22 LEU 33 1HD2 LEU 33 -0.766 4.973 4.534
229 HD23 LEU 33 2HD2 LEU 33 -1.734 4.933 6.026
230 HA PRO 34 HA PRO 34 -5.934 8.571 4.778
231 HB2 PRO 34 1HB PRO 34 -3.948 10.416 4.431
232 HB3 PRO 34 2HB PRO 34 -4.587 9.981 6.004
233 HG2 PRO 34 1HG PRO 34 -2.013 9.209 4.772
234 HG3 PRO 34 2HG PRO 34 -2.484 9.150 6.459
235 HD2 PRO 34 1HD PRO 34 -2.312 6.934 4.646
236 HD3 PRO 34 2HD PRO 34 -2.894 6.894 6.299
237 H ALA 35 H ALA 35 -6.984 9.347 3.031
238 HA ALA 35 HA ALA 35 -6.534 8.283 0.593
239 HB1 ALA 35 1HB ALA 35 -7.720 10.395 -0.253
240 HB2 ALA 35 2HB ALA 35 -8.549 9.479 1.028
241 HB3 ALA 35 3HB ALA 35 -7.667 10.972 1.430
242 H ASP 36 H ASP 36 -5.133 11.353 1.908
243 HA ASP 36 HA ASP 36 -3.859 12.203 -0.313
244 HB2 ASP 36 1HB ASP 36 -2.144 13.178 1.312
245 HB3 ASP 36 2HB ASP 36 -3.817 13.562 1.662
246 HD2 ASP 36 HD ASP 36 -3.366 12.900 4.758
247 H TRP 37 H TRP 37 -2.964 9.628 2.031
248 HA TRP 37 HA TRP 37 -0.337 9.211 1.441
249 HB2 TRP 37 1HB TRP 37 -1.677 8.070 3.188
250 HB3 TRP 37 2HB TRP 37 -2.424 7.084 1.947
251 HD1 TRP 37 HD TRP 37 0.644 7.205 4.120
252 HE1 TRP 37 1HE TRP 37 2.314 5.222 3.630
253 HE3 TRP 37 3HE TRP 37 -1.598 5.685 -0.184
254 HZ2 TRP 37 2HZ TRP 37 2.506 3.283 1.545
255 HZ3 TRP 37 3HZ TRP 37 -0.606 3.739 -1.385
256 HH2 TRP 37 HH TRP 37 1.375 2.549 -0.587
257 H VAL 38 H VAL 38 0.817 8.124 -0.205
258 HA VAL 38 HA VAL 38 -0.604 6.754 -2.278
259 HB VAL 38 HB VAL 38 0.317 8.284 -4.062
260 HG11 VAL 38 1HG1 VAL 38 -1.706 9.802 -2.445
261 HG12 VAL 38 2HG1 VAL 38 -1.669 9.453 -4.190
262 HG13 VAL 38 3HG1 VAL 38 -2.110 8.172 -3.036
263 HG21 VAL 38 3HG2 VAL 38 0.569 10.705 -3.301
264 HG22 VAL 38 1HG2 VAL 38 0.734 10.065 -1.648
265 HG23 VAL 38 2HG2 VAL 38 1.910 9.604 -2.903
266 H CYS 39 H CYS 39 0.828 5.496 -3.592
267 HA CYS 39 HA CYS 39 2.907 4.352 -2.431
268 HB2 CYS 39 1HB CYS 39 2.154 3.437 -4.444
269 HB3 CYS 39 2HB CYS 39 2.405 4.924 -5.337
270 HA PRO 40 HA PRO 40 5.635 7.855 -2.180
271 HB2 PRO 40 1HB PRO 40 7.151 6.926 -0.105
272 HB3 PRO 40 2HB PRO 40 5.685 7.859 0.122
273 HG2 PRO 40 1HG PRO 40 6.113 4.958 0.495
274 HG3 PRO 40 2HG PRO 40 4.815 5.964 1.108
275 HD2 PRO 40 1HD PRO 40 4.678 4.147 -1.108
276 HD3 PRO 40 2HD PRO 40 3.418 5.238 -0.567
277 H VAL 41 H VAL 41 5.902 6.145 -4.297
278 HA VAL 41 HA VAL 41 8.819 5.953 -4.319
279 HB VAL 41 HB VAL 41 7.040 3.798 -5.452
280 HG11 VAL 41 1HG1 VAL 41 9.772 4.403 -5.752
281 HG12 VAL 41 2HG1 VAL 41 9.709 3.012 -4.644
282 HG13 VAL 41 3HG1 VAL 41 8.931 2.912 -6.242
283 HG21 VAL 41 3HG2 VAL 41 8.526 3.568 -2.827
284 HG22 VAL 41 1HG2 VAL 41 6.823 4.076 -2.916
285 HG23 VAL 41 2HG2 VAL 41 7.305 2.471 -3.515
286 H CYS 42 H CYS 42 5.768 5.634 -6.267
287 HA CYS 42 HA CYS 42 7.183 7.062 -8.396
288 HB2 CYS 42 1HB CYS 42 5.898 5.968 -9.991
289 HB3 CYS 42 2HB CYS 42 6.316 4.717 -8.838
290 H GLY 43 H GLY 43 4.262 6.804 -6.329
291 HA2 GLY 43 1HA GLY 43 3.352 8.927 -5.567
292 HA3 GLY 43 2HA GLY 43 3.490 9.522 -7.209
293 H ALA 44 H ALA 44 2.597 6.152 -6.911
294 HA ALA 44 HA ALA 44 0.162 6.556 -8.238
295 HB1 ALA 44 1HB ALA 44 -0.020 4.057 -7.087
296 HB2 ALA 44 2HB ALA 44 0.818 4.419 -8.615
297 HB3 ALA 44 3HB ALA 44 1.738 4.334 -7.094
298 HA PRO 45 HA PRO 45 -2.402 7.522 -4.878
299 HB2 PRO 45 1HB PRO 45 -4.843 7.195 -6.062
300 HB3 PRO 45 2HB PRO 45 -3.876 8.645 -6.244
301 HG2 PRO 45 1HG PRO 45 -4.328 6.463 -8.187
302 HG3 PRO 45 2HG PRO 45 -3.736 8.087 -8.478
303 HD2 PRO 45 1HD PRO 45 -2.176 5.682 -8.396
304 HD3 PRO 45 2HD PRO 45 -1.572 7.317 -8.571
305 H LYS 46 H LYS 46 -3.436 6.649 -3.110
306 HA LYS 46 HA LYS 46 -3.097 3.920 -2.797
307 HB2 LYS 46 1HB LYS 46 -4.042 4.207 -0.690
308 HB3 LYS 46 2HB LYS 46 -3.374 5.786 -1.049
309 HG2 LYS 46 1HG LYS 46 -5.460 6.550 -0.496
310 HG3 LYS 46 2HG LYS 46 -5.881 6.076 -2.130
311 HD2 LYS 46 1HD LYS 46 -7.533 4.948 -0.924
312 HD3 LYS 46 2HD LYS 46 -6.315 3.694 -1.041
313 HE2 LYS 46 1HE LYS 46 -6.721 3.610 1.247
314 HE3 LYS 46 2HE LYS 46 -5.422 4.785 1.235
315 HZ1 LYS 46 2HZ LYS 46 -8.289 5.554 1.142
316 HZ3 LYS 46 1HZ LYS 46 -7.026 6.559 1.357
317 H SER 47 H SER 47 -5.476 5.682 -4.585
318 HA SER 47 HA SER 47 -7.530 3.752 -4.282
319 HB2 SER 47 1HB SER 47 -7.277 6.374 -5.351
320 HB3 SER 47 2HB SER 47 -7.759 5.366 -6.701
321 HG SER 47 HG SER 47 -9.394 4.492 -4.950
322 H GLU 48 H GLU 48 -4.582 3.972 -6.071
323 HA GLU 48 HA GLU 48 -5.588 2.134 -8.083
324 HB2 GLU 48 1HB GLU 48 -3.118 3.894 -7.924
325 HB3 GLU 48 2HB GLU 48 -3.233 2.600 -9.099
326 HG2 GLU 48 1HG GLU 48 -5.405 3.595 -9.928
327 HG3 GLU 48 2HG GLU 48 -5.193 4.925 -8.806
328 HE2 GLU 48 HE GLU 48 -3.200 6.679 -10.123
329 H PHE 49 H PHE 49 -4.988 1.527 -5.151
330 HA PHE 49 HA PHE 49 -2.763 -0.336 -5.526
331 HB2 PHE 49 1HB PHE 49 -4.040 1.244 -3.303
332 HB3 PHE 49 2HB PHE 49 -3.526 -0.366 -2.841
333 HD1 PHE 49 1HD PHE 49 -2.296 2.785 -4.376
334 HD2 PHE 49 2HD PHE 49 -1.280 -0.795 -2.336
335 HE1 PHE 49 1HE PHE 49 0.052 3.619 -4.081
336 HE2 PHE 49 2HE PHE 49 1.068 0.040 -2.041
337 HZ PHE 49 HZ PHE 49 1.707 2.237 -2.917
338 H GLU 50 H GLU 50 -3.061 -2.546 -5.406
339 HA GLU 50 HA GLU 50 -5.742 -3.402 -4.651
340 HB2 GLU 50 1HB GLU 50 -5.755 -3.601 -7.024
341 HB3 GLU 50 2HB GLU 50 -4.102 -4.183 -7.080
342 HG2 GLU 50 1HG GLU 50 -4.687 -6.350 -6.363
343 HG3 GLU 50 2HG GLU 50 -6.144 -5.807 -5.555
344 HE2 GLU 50 HE GLU 50 -6.926 -7.764 -8.078
345 H ALA 51 H ALA 51 -5.873 -5.501 -3.620
346 HA ALA 51 HA ALA 51 -3.458 -6.147 -2.195
347 HB1 ALA 51 1HB ALA 51 -4.869 -7.230 -0.713
348 HB2 ALA 51 2HB ALA 51 -6.001 -6.052 -1.419
349 HB3 ALA 51 3HB ALA 51 -5.999 -7.737 -1.992
350 H ALA 52 H ALA 52 -1.958 -7.553 -2.939
351 HA ALA 52 HA ALA 52 -2.439 -9.097 -5.256
352 HB1 ALA 52 1HB ALA 52 -0.239 -8.208 -3.707
353 HB2 ALA 52 2HB ALA 52 -0.158 -9.986 -3.705
354 HB3 ALA 52 3HB ALA 52 -0.192 -9.098 -5.248
Start of MODEL 15
1 H1 MET 1 H MET 1 -3.705 -12.754 1.268
2 HA MET 1 HA MET 1 -5.729 -11.691 0.697
3 HB2 MET 1 1HB MET 1 -6.753 -12.714 2.924
4 HB3 MET 1 2HB MET 1 -6.202 -11.231 3.677
5 HG2 MET 1 1HG MET 1 -7.475 -10.234 1.432
6 HG3 MET 1 2HG MET 1 -8.442 -11.659 1.756
7 HE1 MET 1 3HE MET 1 -9.877 -9.624 1.615
8 HE2 MET 1 1HE MET 1 -10.847 -9.557 3.106
9 HE3 MET 1 2HE MET 1 -9.758 -8.212 2.692
10 H LYS 2 H LYS 2 -4.190 -10.667 3.839
11 HA LYS 2 HA LYS 2 -4.123 -7.968 3.247
12 HB2 LYS 2 1HB LYS 2 -2.668 -9.778 5.136
13 HB3 LYS 2 2HB LYS 2 -2.068 -8.146 4.926
14 HG2 LYS 2 1HG LYS 2 -4.977 -8.812 5.579
15 HG3 LYS 2 2HG LYS 2 -3.776 -8.408 6.790
16 HD2 LYS 2 1HD LYS 2 -3.770 -6.169 6.242
17 HD3 LYS 2 2HD LYS 2 -3.935 -6.478 4.524
18 HE2 LYS 2 1HE LYS 2 -6.261 -7.001 6.410
19 HE3 LYS 2 2HE LYS 2 -5.948 -5.382 5.816
20 HZ1 LYS 2 2HZ LYS 2 -6.051 -7.567 3.856
21 HZ3 LYS 2 1HZ LYS 2 -6.466 -6.004 3.663
22 H LYS 3 H LYS 3 -1.493 -7.057 3.461
23 HA LYS 3 HA LYS 3 0.227 -6.494 2.197
24 HB2 LYS 3 1HB LYS 3 0.174 -9.441 1.490
25 HB3 LYS 3 2HB LYS 3 1.470 -8.350 1.044
26 HG2 LYS 3 1HG LYS 3 0.576 -8.516 3.938
27 HG3 LYS 3 2HG LYS 3 1.643 -9.745 3.287
28 HD2 LYS 3 1HD LYS 3 2.523 -7.026 2.558
29 HD3 LYS 3 2HD LYS 3 2.414 -7.234 4.295
30 HE2 LYS 3 1HE LYS 3 4.084 -8.864 4.354
31 HE3 LYS 3 2HE LYS 3 3.719 -9.458 2.746
32 HZ1 LYS 3 2HZ LYS 3 4.634 -6.755 2.654
33 HZ3 LYS 3 1HZ LYS 3 5.237 -8.057 1.884
34 H TYR 4 H TYR 4 -0.287 -5.016 0.669
35 HA TYR 4 HA TYR 4 -1.717 -6.001 -1.701
36 HB2 TYR 4 1HB TYR 4 -1.266 -3.079 -1.050
37 HB3 TYR 4 2HB TYR 4 -2.713 -3.838 -1.685
38 HD1 TYR 4 2HD TYR 4 -0.743 -3.294 1.421
39 HD2 TYR 4 1HD TYR 4 -4.493 -4.501 -0.247
40 HE1 TYR 4 2HE TYR 4 -1.799 -3.232 3.733
41 HE2 TYR 4 1HE TYR 4 -5.537 -4.435 2.070
42 HH TYR 4 HH TYR 4 -4.722 -4.667 4.417
43 H VAL 5 H VAL 5 -1.184 -4.024 -3.526
44 HA VAL 5 HA VAL 5 1.618 -3.465 -3.629
45 HB VAL 5 HB VAL 5 0.404 -5.589 -5.401
46 HG11 VAL 5 1HG1 VAL 5 2.173 -3.599 -6.237
47 HG12 VAL 5 2HG1 VAL 5 3.216 -5.001 -5.897
48 HG13 VAL 5 3HG1 VAL 5 1.862 -5.156 -7.042
49 HG21 VAL 5 3HG2 VAL 5 1.219 -6.604 -3.437
50 HG22 VAL 5 1HG2 VAL 5 2.528 -6.808 -4.625
51 HG23 VAL 5 2HG2 VAL 5 2.649 -5.546 -3.376
52 H CYS 6 H CYS 6 2.028 -1.752 -5.034
53 HA CYS 6 HA CYS 6 -0.228 -0.291 -5.852
54 HB2 CYS 6 1HB CYS 6 1.657 0.945 -5.204
55 HB3 CYS 6 2HB CYS 6 2.736 0.033 -6.241
56 H THR 7 H THR 7 -0.857 0.251 -8.081
57 HA THR 7 HA THR 7 -0.523 -2.015 -9.851
58 HB THR 7 HB THR 7 -2.250 -0.662 -11.176
59 HG1 THR 7 1HG THR 7 -2.139 1.453 -10.510
60 HG21 THR 7 3HG2 THR 7 -4.077 -0.867 -9.522
61 HG22 THR 7 1HG2 THR 7 -3.011 -2.286 -9.391
62 HG23 THR 7 2HG2 THR 7 -2.894 -0.972 -8.196
63 H VAL 8 H VAL 8 -0.216 1.575 -10.314
64 HA VAL 8 HA VAL 8 0.999 1.613 -12.690
65 HB VAL 8 HB VAL 8 1.953 3.265 -10.351
66 HG11 VAL 8 1HG1 VAL 8 3.202 3.681 -12.368
67 HG12 VAL 8 2HG1 VAL 8 1.707 3.809 -13.326
68 HG13 VAL 8 3HG1 VAL 8 2.090 5.046 -12.106
69 HG21 VAL 8 3HG2 VAL 8 -0.009 4.796 -11.268
70 HG22 VAL 8 1HG2 VAL 8 -0.697 3.226 -11.747
71 HG23 VAL 8 2HG2 VAL 8 -0.307 3.543 -10.040
72 H CYS 9 H CYS 9 2.706 1.122 -9.523
73 HA CYS 9 HA CYS 9 4.838 -0.146 -11.082
74 HB2 CYS 9 1HB CYS 9 6.503 0.897 -9.925
75 HB3 CYS 9 2HB CYS 9 5.315 2.181 -10.030
76 H GLY 10 H GLY 10 6.123 -1.736 -9.622
77 HA2 GLY 10 1HA GLY 10 4.391 -3.622 -8.511
78 HA3 GLY 10 2HA GLY 10 6.133 -3.571 -8.326
79 H TYR 11 H TYR 11 7.080 -2.729 -6.427
80 HA TYR 11 HA TYR 11 7.163 -2.313 -4.247
81 HB2 TYR 11 1HB TYR 11 6.447 -0.081 -5.241
82 HB3 TYR 11 2HB TYR 11 4.769 -0.555 -5.073
83 HD1 TYR 11 2HD TYR 11 7.751 -0.593 -2.779
84 HD2 TYR 11 1HD TYR 11 3.694 0.619 -3.394
85 HE1 TYR 11 2HE TYR 11 7.692 0.422 -0.448
86 HE2 TYR 11 1HE TYR 11 3.649 1.629 -1.062
87 HH TYR 11 HH TYR 11 4.705 1.858 0.818
88 H GLU 12 H GLU 12 5.774 -2.111 -2.092
89 HA GLU 12 HA GLU 12 3.263 -3.385 -2.166
90 HB2 GLU 12 1HB GLU 12 3.841 -5.477 -1.041
91 HB3 GLU 12 2HB GLU 12 4.722 -5.370 -2.552
92 HG2 GLU 12 1HG GLU 12 6.653 -4.322 -1.128
93 HG3 GLU 12 2HG GLU 12 5.779 -4.927 0.266
94 HE2 GLU 12 HE GLU 12 6.732 -7.986 0.082
95 H TYR 13 H TYR 13 2.128 -2.862 -0.298
96 HA TYR 13 HA TYR 13 3.625 -1.331 1.674
97 HB2 TYR 13 1HB TYR 13 1.569 -0.365 0.698
98 HB3 TYR 13 2HB TYR 13 0.692 -1.865 0.928
99 HD1 TYR 13 1HD TYR 13 2.748 0.297 3.217
100 HD2 TYR 13 2HD TYR 13 -1.015 -1.596 2.469
101 HE1 TYR 13 1HE TYR 13 1.869 1.147 5.446
102 HE2 TYR 13 2HE TYR 13 -1.882 -0.740 4.700
103 HH TYR 13 HH TYR 13 -0.383 -0.008 7.051
104 H ASP 14 H ASP 14 3.601 -1.778 3.918
105 HA ASP 14 HA ASP 14 2.776 -4.513 4.492
106 HB2 ASP 14 1HB ASP 14 5.150 -2.892 5.175
107 HB3 ASP 14 2HB ASP 14 4.436 -3.643 6.588
108 HD2 ASP 14 HD ASP 14 4.316 -6.560 4.557
109 HA PRO 15 HA PRO 15 -0.025 -2.178 7.071
110 HB2 PRO 15 1HB PRO 15 -1.859 -4.168 7.450
111 HB3 PRO 15 2HB PRO 15 -1.912 -3.062 6.092
112 HG2 PRO 15 1HG PRO 15 -1.071 -5.896 6.142
113 HG3 PRO 15 2HG PRO 15 -1.533 -4.912 4.768
114 HD2 PRO 15 1HD PRO 15 1.131 -5.656 5.528
115 HD3 PRO 15 2HD PRO 15 0.675 -4.578 4.223
116 H ALA 16 H ALA 16 1.323 -5.309 7.748
117 HA ALA 16 HA ALA 16 0.726 -5.139 10.534
118 HB1 ALA 16 1HB ALA 16 1.112 -7.218 9.003
119 HB2 ALA 16 2HB ALA 16 2.841 -6.901 9.285
120 HB3 ALA 16 3HB ALA 16 1.763 -7.242 10.660
121 H GLU 17 H GLU 17 2.800 -3.406 8.538
122 HA GLU 17 HA GLU 17 4.681 -3.069 10.744
123 HB2 GLU 17 1HB GLU 17 5.511 -4.024 8.456
124 HB3 GLU 17 2HB GLU 17 5.312 -2.391 7.853
125 HG2 GLU 17 1HG GLU 17 7.551 -2.363 8.563
126 HG3 GLU 17 2HG GLU 17 6.732 -1.680 9.953
127 HE2 GLU 17 HE GLU 17 7.450 -4.761 8.675
128 H GLY 18 H GLY 18 3.215 -1.372 7.878
129 HA2 GLY 18 1HA GLY 18 1.866 0.604 8.459
130 HA3 GLY 18 2HA GLY 18 3.175 1.094 9.516
131 H ASP 19 H ASP 19 3.852 2.996 8.520
132 HA ASP 19 HA ASP 19 5.498 2.704 6.290
133 HB2 ASP 19 1HB ASP 19 2.916 2.871 5.462
134 HB3 ASP 19 2HB ASP 19 3.238 4.583 5.645
135 HD2 ASP 19 HD ASP 19 4.263 5.463 3.613
136 HA PRO 20 HA PRO 20 6.476 6.306 8.728
137 HB2 PRO 20 1HB PRO 20 9.144 6.389 8.144
138 HB3 PRO 20 2HB PRO 20 8.481 5.443 9.461
139 HG2 PRO 20 1HG PRO 20 9.477 4.521 6.835
140 HG3 PRO 20 2HG PRO 20 9.215 3.592 8.298
141 HD2 PRO 20 1HD PRO 20 7.536 3.642 5.973
142 HD3 PRO 20 2HD PRO 20 7.216 2.805 7.479
143 H ASP 21 H ASP 21 7.348 5.811 5.390
144 HA ASP 21 HA ASP 21 8.223 8.122 4.572
145 HB2 ASP 21 1HB ASP 21 7.166 6.044 3.281
146 HB3 ASP 21 2HB ASP 21 5.750 7.072 3.172
147 HD2 ASP 21 HD ASP 21 8.378 6.215 1.540
148 H ASN 22 H ASN 22 4.798 7.413 5.505
149 HA ASN 22 HA ASN 22 4.263 10.269 5.305
150 HB2 ASN 22 1HB ASN 22 2.536 7.790 5.035
151 HB3 ASN 22 2HB ASN 22 1.779 9.275 5.576
152 HD21 ASN 22 1HD2 ASN 22 4.130 8.166 3.137
153 HD22 ASN 22 2HD2 ASN 22 3.519 9.090 1.806
154 H GLY 23 H GLY 23 3.951 7.263 7.282
155 HA2 GLY 23 1HA GLY 23 4.493 7.574 9.660
156 HA3 GLY 23 2HA GLY 23 3.404 8.947 9.655
157 H VAL 24 H VAL 24 3.640 5.390 9.449
158 HA VAL 24 HA VAL 24 0.848 5.267 10.305
159 HB VAL 24 HB VAL 24 2.120 3.724 8.041
160 HG11 VAL 24 1HG1 VAL 24 -0.698 3.256 9.000
161 HG12 VAL 24 2HG1 VAL 24 0.345 2.217 7.999
162 HG13 VAL 24 3HG1 VAL 24 0.666 2.386 9.742
163 HG21 VAL 24 3HG2 VAL 24 0.060 4.590 6.827
164 HG22 VAL 24 1HG2 VAL 24 -0.199 5.665 8.222
165 HG23 VAL 24 2HG2 VAL 24 1.288 5.806 7.254
166 H LYS 25 H LYS 25 0.390 3.531 11.736
167 HA LYS 25 HA LYS 25 2.785 2.476 12.988
168 HB2 LYS 25 1HB LYS 25 -0.102 2.761 13.791
169 HB3 LYS 25 2HB LYS 25 0.940 1.640 14.644
170 HG2 LYS 25 1HG LYS 25 2.196 3.318 15.610
171 HG3 LYS 25 2HG LYS 25 2.130 4.337 14.186
172 HD2 LYS 25 1HD LYS 25 -0.530 4.327 15.009
173 HD3 LYS 25 2HD LYS 25 0.322 4.264 16.539
174 HE2 LYS 25 1HE LYS 25 1.238 6.242 14.437
175 HE3 LYS 25 2HE LYS 25 -0.198 6.606 15.373
176 HZ1 LYS 25 2HZ LYS 25 1.125 7.188 17.073
177 HZ3 LYS 25 1HZ LYS 25 2.460 6.869 16.196
178 HA PRO 26 HA PRO 26 2.277 -1.532 11.474
179 HB2 PRO 26 1HB PRO 26 3.067 -3.120 13.554
180 HB3 PRO 26 2HB PRO 26 4.194 -2.281 12.506
181 HG2 PRO 26 1HG PRO 26 3.407 -1.632 15.281
182 HG3 PRO 26 2HG PRO 26 4.809 -1.087 14.381
183 HD2 PRO 26 1HD PRO 26 2.432 0.421 14.935
184 HD3 PRO 26 2HD PRO 26 3.783 0.923 13.938
185 H GLY 27 H GLY 27 0.925 -3.305 11.152
186 HA2 GLY 27 1HA GLY 27 -0.784 -4.720 11.798
187 HA3 GLY 27 2HA GLY 27 -1.074 -3.753 13.231
188 H THR 28 H THR 28 -0.855 -1.250 11.307
189 HA THR 28 HA THR 28 -3.630 -0.906 10.999
190 HB THR 28 HB THR 28 -1.235 0.573 9.786
191 HG1 THR 28 1HG THR 28 -1.843 1.908 11.767
192 HG21 THR 28 3HG2 THR 28 -3.135 1.503 8.682
193 HG22 THR 28 1HG2 THR 28 -4.193 1.227 10.087
194 HG23 THR 28 2HG2 THR 28 -2.973 2.523 10.131
195 H SER 29 H SER 29 -4.778 -0.416 8.939
196 HA SER 29 HA SER 29 -3.864 -2.318 6.925
197 HB2 SER 29 1HB SER 29 -6.139 -2.839 6.425
198 HB3 SER 29 2HB SER 29 -6.038 -2.830 8.174
199 HG SER 29 HG SER 29 -7.375 -1.046 6.427
200 H PHE 30 H PHE 30 -3.944 -1.671 4.701
201 HA PHE 30 HA PHE 30 -3.425 0.987 4.188
202 HB2 PHE 30 1HB PHE 30 -2.912 -1.094 2.787
203 HB3 PHE 30 2HB PHE 30 -4.614 -1.208 2.384
204 HD1 PHE 30 1HD PHE 30 -5.659 0.830 1.173
205 HD2 PHE 30 2HD PHE 30 -1.479 0.147 1.434
206 HE1 PHE 30 1HE PHE 30 -5.291 2.327 -0.807
207 HE2 PHE 30 2HE PHE 30 -1.111 1.645 -0.546
208 HZ PHE 30 HZ PHE 30 -3.021 2.717 -1.643
209 H ASP 31 H ASP 31 -6.480 -0.632 4.685
210 HA ASP 31 HA ASP 31 -7.998 1.153 3.109
211 HB2 ASP 31 1HB ASP 31 -8.573 -1.254 3.994
212 HB3 ASP 31 2HB ASP 31 -9.041 -0.444 5.476
213 HD2 ASP 31 HD ASP 31 -10.893 0.474 5.535
214 H ASP 32 H ASP 32 -6.519 1.161 6.282
215 HA ASP 32 HA ASP 32 -8.321 3.219 7.224
216 HB2 ASP 32 1HB ASP 32 -6.649 1.173 8.445
217 HB3 ASP 32 2HB ASP 32 -6.198 2.740 9.086
218 HD2 ASP 32 HD ASP 32 -8.125 0.256 9.509
219 H LEU 33 H LEU 33 -6.040 3.317 5.043
220 HA LEU 33 HA LEU 33 -4.059 5.012 6.223
221 HB2 LEU 33 1HB LEU 33 -4.644 3.915 3.506
222 HB3 LEU 33 2HB LEU 33 -3.573 5.295 3.649
223 HG LEU 33 HG LEU 33 -3.154 2.691 5.138
224 HD11 LEU 33 1HD1 LEU 33 -1.517 2.083 3.468
225 HD12 LEU 33 2HD1 LEU 33 -3.097 2.342 2.690
226 HD13 LEU 33 3HD1 LEU 33 -1.828 3.584 2.564
227 HD21 LEU 33 3HD2 LEU 33 -0.827 3.557 5.370
228 HD22 LEU 33 1HD2 LEU 33 -1.381 5.104 4.685
229 HD23 LEU 33 2HD2 LEU 33 -2.053 4.522 6.228
230 HA PRO 34 HA PRO 34 -5.930 8.830 5.492
231 HB2 PRO 34 1HB PRO 34 -3.845 10.462 4.815
232 HB3 PRO 34 2HB PRO 34 -4.196 9.990 6.466
233 HG2 PRO 34 1HG PRO 34 -2.047 9.026 4.679
234 HG3 PRO 34 2HG PRO 34 -2.164 8.900 6.423
235 HD2 PRO 34 1HD PRO 34 -2.646 6.813 4.515
236 HD3 PRO 34 2HD PRO 34 -2.874 6.720 6.250
237 H ALA 35 H ALA 35 -6.300 10.751 3.973
238 HA ALA 35 HA ALA 35 -6.639 9.521 1.364
239 HB1 ALA 35 1HB ALA 35 -8.086 11.500 0.961
240 HB2 ALA 35 2HB ALA 35 -8.556 10.618 2.434
241 HB3 ALA 35 3HB ALA 35 -7.638 12.137 2.562
242 H ASP 36 H ASP 36 -4.047 10.761 2.778
243 HA ASP 36 HA ASP 36 -3.367 12.380 0.449
244 HB2 ASP 36 1HB ASP 36 -3.260 13.051 3.208
245 HB3 ASP 36 2HB ASP 36 -1.595 12.746 2.756
246 HD2 ASP 36 HD ASP 36 -2.347 15.103 3.521
247 H TRP 37 H TRP 37 -3.099 9.367 1.695
248 HA TRP 37 HA TRP 37 -0.234 9.042 1.594
249 HB2 TRP 37 1HB TRP 37 -1.731 7.837 3.199
250 HB3 TRP 37 2HB TRP 37 -2.398 6.948 1.844
251 HD1 TRP 37 HD TRP 37 0.615 6.987 4.147
252 HE1 TRP 37 1HE TRP 37 2.263 4.983 3.665
253 HE3 TRP 37 3HE TRP 37 -1.577 5.544 -0.209
254 HZ2 TRP 37 2HZ TRP 37 2.460 3.063 1.563
255 HZ3 TRP 37 3HZ TRP 37 -0.594 3.595 -1.413
256 HH2 TRP 37 HH TRP 37 1.354 2.368 -0.594
257 H VAL 38 H VAL 38 0.899 7.937 -0.080
258 HA VAL 38 HA VAL 38 -0.567 6.905 -2.320
259 HB VAL 38 HB VAL 38 0.640 8.452 -3.915
260 HG11 VAL 38 1HG1 VAL 38 -1.211 9.791 -4.073
261 HG12 VAL 38 2HG1 VAL 38 -1.848 8.554 -2.964
262 HG13 VAL 38 3HG1 VAL 38 -1.271 10.111 -2.323
263 HG21 VAL 38 3HG2 VAL 38 0.748 10.489 -1.723
264 HG22 VAL 38 1HG2 VAL 38 2.083 9.320 -1.863
265 HG23 VAL 38 2HG2 VAL 38 1.682 10.382 -3.235
266 H CYS 39 H CYS 39 0.709 5.479 -3.556
267 HA CYS 39 HA CYS 39 2.653 4.109 -2.373
268 HB2 CYS 39 1HB CYS 39 1.751 3.266 -4.366
269 HB3 CYS 39 2HB CYS 39 2.201 4.686 -5.290
270 HA PRO 40 HA PRO 40 5.752 7.299 -2.234
271 HB2 PRO 40 1HB PRO 40 7.167 6.272 -0.134
272 HB3 PRO 40 2HB PRO 40 5.817 7.371 0.066
273 HG2 PRO 40 1HG PRO 40 5.917 4.454 0.533
274 HG3 PRO 40 2HG PRO 40 4.745 5.619 1.116
275 HD2 PRO 40 1HD PRO 40 4.390 3.759 -1.039
276 HD3 PRO 40 2HD PRO 40 3.264 5.002 -0.530
277 H VAL 41 H VAL 41 5.839 5.588 -4.325
278 HA VAL 41 HA VAL 41 8.704 5.026 -4.329
279 HB VAL 41 HB VAL 41 6.578 3.088 -5.261
280 HG11 VAL 41 1HG1 VAL 41 8.618 1.547 -5.412
281 HG12 VAL 41 2HG1 VAL 41 8.457 2.803 -6.664
282 HG13 VAL 41 3HG1 VAL 41 9.602 3.027 -5.319
283 HG21 VAL 41 3HG2 VAL 41 6.457 2.446 -3.121
284 HG22 VAL 41 1HG2 VAL 41 8.127 1.854 -3.297
285 HG23 VAL 41 2HG2 VAL 41 7.824 3.486 -2.655
286 H CYS 42 H CYS 42 5.608 5.185 -6.207
287 HA CYS 42 HA CYS 42 7.193 6.328 -8.392
288 HB2 CYS 42 1HB CYS 42 5.699 5.435 -9.958
289 HB3 CYS 42 2HB CYS 42 6.048 4.134 -8.837
290 H GLY 43 H GLY 43 4.367 6.545 -6.217
291 HA2 GLY 43 1HA GLY 43 3.843 8.852 -5.549
292 HA3 GLY 43 2HA GLY 43 3.851 9.271 -7.250
293 H ALA 44 H ALA 44 2.592 6.643 -8.064
294 HA ALA 44 HA ALA 44 0.095 7.223 -8.512
295 HB1 ALA 44 1HB ALA 44 1.385 4.649 -7.640
296 HB2 ALA 44 2HB ALA 44 -0.377 4.686 -7.891
297 HB3 ALA 44 3HB ALA 44 0.722 5.107 -9.227
298 HA PRO 45 HA PRO 45 -1.983 7.932 -4.779
299 HB2 PRO 45 1HB PRO 45 -4.576 7.808 -5.635
300 HB3 PRO 45 2HB PRO 45 -3.569 9.228 -5.832
301 HG2 PRO 45 1HG PRO 45 -4.391 7.242 -7.862
302 HG3 PRO 45 2HG PRO 45 -3.761 8.860 -8.101
303 HD2 PRO 45 1HD PRO 45 -2.331 6.395 -8.430
304 HD3 PRO 45 2HD PRO 45 -1.673 8.014 -8.556
305 H LYS 46 H LYS 46 -3.349 7.055 -3.080
306 HA LYS 46 HA LYS 46 -2.847 4.335 -2.789
307 HB2 LYS 46 1HB LYS 46 -3.976 4.513 -0.747
308 HB3 LYS 46 2HB LYS 46 -3.299 6.108 -1.008
309 HG2 LYS 46 1HG LYS 46 -5.422 6.855 -0.608
310 HG3 LYS 46 2HG LYS 46 -5.736 6.385 -2.266
311 HD2 LYS 46 1HD LYS 46 -7.456 5.272 -1.105
312 HD3 LYS 46 2HD LYS 46 -6.254 4.009 -1.278
313 HE2 LYS 46 1HE LYS 46 -6.884 3.889 1.013
314 HE3 LYS 46 2HE LYS 46 -5.357 4.748 1.042
315 HZ1 LYS 46 2HZ LYS 46 -8.040 5.796 1.540
316 HZ3 LYS 46 1HZ LYS 46 -6.988 6.812 0.825
317 H SER 47 H SER 47 -5.312 6.059 -4.564
318 HA SER 47 HA SER 47 -7.257 4.041 -4.453
319 HB2 SER 47 1HB SER 47 -7.255 6.626 -5.279
320 HB3 SER 47 2HB SER 47 -7.093 5.850 -6.842
321 HG SER 47 HG SER 47 -9.219 5.575 -4.916
322 H GLU 48 H GLU 48 -4.167 4.120 -5.842
323 HA GLU 48 HA GLU 48 -4.988 2.335 -7.992
324 HB2 GLU 48 1HB GLU 48 -2.412 3.919 -7.598
325 HB3 GLU 48 2HB GLU 48 -2.674 2.788 -8.911
326 HG2 GLU 48 1HG GLU 48 -4.879 4.223 -9.327
327 HG3 GLU 48 2HG GLU 48 -4.031 5.447 -8.403
328 HE2 GLU 48 HE GLU 48 -3.807 6.539 -10.968
329 H PHE 49 H PHE 49 -4.968 1.453 -5.233
330 HA PHE 49 HA PHE 49 -2.704 -0.413 -5.359
331 HB2 PHE 49 1HB PHE 49 -3.673 1.485 -3.322
332 HB3 PHE 49 2HB PHE 49 -3.752 -0.147 -2.687
333 HD1 PHE 49 2HD PHE 49 -1.567 -1.584 -3.036
334 HD2 PHE 49 1HD PHE 49 -1.689 2.657 -3.129
335 HE1 PHE 49 2HE PHE 49 0.887 -1.502 -2.519
336 HE2 PHE 49 1HE PHE 49 0.766 2.739 -2.612
337 HZ PHE 49 HZ PHE 49 2.025 0.658 -2.313
338 H GLU 50 H GLU 50 -3.156 -2.595 -5.025
339 HA GLU 50 HA GLU 50 -5.876 -3.222 -4.237
340 HB2 GLU 50 1HB GLU 50 -6.134 -3.395 -6.579
341 HB3 GLU 50 2HB GLU 50 -4.514 -4.021 -6.817
342 HG2 GLU 50 1HG GLU 50 -5.097 -6.196 -6.163
343 HG3 GLU 50 2HG GLU 50 -6.406 -5.654 -5.131
344 HE2 GLU 50 HE GLU 50 -8.596 -6.600 -7.219
345 H ALA 51 H ALA 51 -6.100 -5.281 -3.178
346 HA ALA 51 HA ALA 51 -3.687 -6.151 -1.923
347 HB1 ALA 51 1HB ALA 51 -5.329 -7.794 -0.849
348 HB2 ALA 51 2HB ALA 51 -5.672 -6.066 -0.595
349 HB3 ALA 51 3HB ALA 51 -6.603 -6.991 -1.797
350 H ALA 52 H ALA 52 -2.239 -7.385 -3.021
351 HA ALA 52 HA ALA 52 -2.854 -9.950 -3.849
352 HB1 ALA 52 1HB ALA 52 -4.061 -9.308 -5.727
353 HB2 ALA 52 2HB ALA 52 -3.107 -7.823 -5.964
354 HB3 ALA 52 3HB ALA 52 -2.417 -9.404 -6.404