Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
6398 | 1iy6 RC | 5470 | cing | recoord | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ALA 3 1HT ALA 3 7.959 7.437 -6.715
2 2H ALA 3 2HT ALA 3 7.944 8.368 -8.136
3 3H ALA 3 3HT ALA 3 9.089 8.683 -6.921
4 HA ALA 3 HA ALA 3 10.291 7.525 -8.526
5 1HB ALA 3 1HB ALA 3 9.391 5.242 -6.788
6 2HB ALA 3 2HB ALA 3 10.245 6.608 -6.069
7 3HB ALA 3 3HB ALA 3 11.019 5.648 -7.331
8 H VAL 4 H VAL 4 7.107 6.071 -7.972
9 HA VAL 4 HA VAL 4 7.117 5.166 -10.794
10 HB VAL 4 HB VAL 4 6.456 3.333 -8.469
11 1HG1 VAL 4 1HG1 VAL 4 5.022 2.938 -10.415
12 2HG1 VAL 4 2HG1 VAL 4 6.199 1.633 -10.267
13 3HG1 VAL 4 3HG1 VAL 4 6.436 2.899 -11.471
14 1HG2 VAL 4 1HG2 VAL 4 8.776 3.259 -8.524
15 2HG2 VAL 4 2HG2 VAL 4 8.850 3.691 -10.233
16 3HG2 VAL 4 3HG2 VAL 4 8.406 2.052 -9.756
17 H SER 5 H SER 5 4.981 4.964 -11.653
18 HA SER 5 HA SER 5 2.913 6.294 -9.966
19 1HB SER 5 2HB SER 5 3.680 7.126 -12.343
20 2HB SER 5 1HB SER 5 2.621 5.844 -12.923
21 HG SER 5 HG SER 5 1.081 7.225 -12.578
22 H VAL 6 H VAL 6 1.048 5.201 -9.441
23 HA VAL 6 HA VAL 6 0.704 2.478 -10.637
24 HB VAL 6 HB VAL 6 1.320 2.342 -8.265
25 1HG1 VAL 6 1HG1 VAL 6 -0.956 3.395 -6.969
26 2HG1 VAL 6 2HG1 VAL 6 -0.437 4.636 -8.111
27 3HG1 VAL 6 3HG1 VAL 6 0.690 4.022 -6.901
28 1HG2 VAL 6 1HG2 VAL 6 -1.550 1.737 -8.994
29 2HG2 VAL 6 2HG2 VAL 6 -0.881 1.285 -7.426
30 3HG2 VAL 6 3HG2 VAL 6 -0.187 0.622 -8.904
31 H ASP 7 H ASP 7 -1.362 1.948 -11.359
32 HA ASP 7 HA ASP 7 -3.354 4.174 -11.272
33 1HB ASP 7 2HB ASP 7 -3.038 1.905 -13.259
34 2HB ASP 7 1HB ASP 7 -4.316 3.120 -13.311
35 H CYS 8 H CYS 8 -4.774 3.755 -9.641
36 HA CYS 8 HA CYS 8 -6.025 1.046 -9.585
37 1HB CYS 8 2HB CYS 8 -4.700 2.541 -7.362
38 2HB CYS 8 1HB CYS 8 -6.175 1.652 -6.980
39 H SER 9 H SER 9 -7.071 3.267 -10.908
40 HA SER 9 HA SER 9 -8.735 5.049 -9.599
41 1HB SER 9 2HB SER 9 -10.318 4.654 -11.612
42 2HB SER 9 1HB SER 9 -8.683 5.215 -11.948
43 HG SER 9 HG SER 9 -9.762 3.156 -12.987
44 H GLU 10 H GLU 10 -9.493 4.051 -7.669
45 HA GLU 10 HA GLU 10 -11.247 3.117 -6.408
46 1HB GLU 10 2HB GLU 10 -12.466 3.753 -8.765
47 2HB GLU 10 1HB GLU 10 -12.698 2.006 -8.729
48 1HG GLU 10 2HG GLU 10 -13.193 3.060 -6.105
49 2HG GLU 10 1HG GLU 10 -14.144 3.972 -7.276
50 H TYR 11 H TYR 11 -9.207 1.603 -6.205
51 HA TYR 11 HA TYR 11 -10.115 -1.149 -6.956
52 1HB TYR 11 2HB TYR 11 -8.035 -0.162 -8.198
53 2HB TYR 11 1HB TYR 11 -7.200 -0.457 -6.673
54 HD1 TYR 11 1HD TYR 11 -9.244 -2.091 -9.325
55 HD2 TYR 11 2HD TYR 11 -6.529 -2.649 -6.045
56 HE1 TYR 11 1HE TYR 11 -9.032 -4.491 -9.911
57 HE2 TYR 11 2HE TYR 11 -6.317 -5.050 -6.630
58 HH TYR 11 HH TYR 11 -8.423 -6.643 -8.638
59 HA PRO 12 HA PRO 12 -9.299 -0.677 -2.375
60 1HB PRO 12 2HB PRO 12 -11.891 -1.102 -1.557
61 2HB PRO 12 1HB PRO 12 -11.218 0.504 -1.884
62 1HG PRO 12 2HG PRO 12 -13.104 -1.115 -3.536
63 2HG PRO 12 1HG PRO 12 -12.913 0.644 -3.450
64 1HD PRO 12 2HD PRO 12 -11.912 -1.013 -5.504
65 2HD PRO 12 1HD PRO 12 -11.428 0.667 -5.190
66 H LYS 13 H LYS 13 -8.301 -2.663 -2.056
67 HA LYS 13 HA LYS 13 -10.072 -5.035 -1.846
68 1HB LYS 13 2HB LYS 13 -7.405 -5.243 -3.246
69 2HB LYS 13 1HB LYS 13 -8.731 -6.407 -3.236
70 1HG LYS 13 2HG LYS 13 -9.035 -3.641 -4.416
71 2HG LYS 13 1HG LYS 13 -8.459 -5.008 -5.369
72 1HD LYS 13 2HD LYS 13 -10.494 -6.194 -5.104
73 2HD LYS 13 1HD LYS 13 -11.020 -5.156 -3.779
74 1HE LYS 13 2HE LYS 13 -12.165 -3.980 -5.336
75 2HE LYS 13 1HE LYS 13 -10.597 -3.373 -5.870
76 1HZ LYS 13 1HZ LYS 13 -10.902 -5.898 -6.971
77 2HZ LYS 13 2HZ LYS 13 -10.929 -4.405 -7.781
78 3HZ LYS 13 3HZ LYS 13 -12.375 -5.096 -7.217
79 H CYS 14 H CYS 14 -9.700 -4.681 0.463
80 HA CYS 14 HA CYS 14 -6.905 -5.044 1.390
81 1HB CYS 14 2HB CYS 14 -9.420 -4.008 2.580
82 2HB CYS 14 1HB CYS 14 -8.350 -4.883 3.677
83 H ALA 15 H ALA 15 -8.198 -7.261 0.083
84 HA ALA 15 HA ALA 15 -8.340 -9.154 2.396
85 1HB ALA 15 1HB ALA 15 -10.253 -10.108 1.613
86 2HB ALA 15 2HB ALA 15 -9.749 -9.962 -0.069
87 3HB ALA 15 3HB ALA 15 -10.462 -8.579 0.759
88 H CYS 16 H CYS 16 -6.242 -8.232 0.256
89 HA CYS 16 HA CYS 16 -5.724 -10.708 -1.215
90 1HB CYS 16 2HB CYS 16 -4.011 -8.237 -0.812
91 2HB CYS 16 1HB CYS 16 -3.636 -9.566 -1.910
92 H THR 17 H THR 17 -4.039 -12.180 -0.779
93 HA THR 17 HA THR 17 -2.284 -11.811 1.528
94 HB THR 17 HB THR 17 -4.572 -13.795 1.634
95 HG1 THR 17 1HG THR 17 -5.067 -12.678 3.485
96 1HG2 THR 17 1HG2 THR 17 -1.873 -13.919 2.755
97 2HG2 THR 17 2HG2 THR 17 -3.106 -15.176 2.657
98 3HG2 THR 17 3HG2 THR 17 -3.128 -14.020 3.989
99 H MET 18 H MET 18 -0.997 -12.166 -0.576
100 HA MET 18 HA MET 18 -0.132 -14.957 -0.631
101 1HB MET 18 2HB MET 18 -2.066 -14.979 -2.188
102 2HB MET 18 1HB MET 18 -1.288 -13.714 -3.140
103 1HG MET 18 2HG MET 18 0.093 -15.190 -4.149
104 2HG MET 18 1HG MET 18 0.507 -15.958 -2.617
105 1HE MET 18 1HE MET 18 -3.285 -15.571 -3.754
106 2HE MET 18 2HE MET 18 -3.289 -16.740 -5.072
107 3HE MET 18 3HE MET 18 -2.221 -15.343 -5.147
108 H GLU 19 H GLU 19 0.023 -12.264 -2.957
109 HA GLU 19 HA GLU 19 2.832 -12.592 -3.423
110 1HB GLU 19 2HB GLU 19 1.216 -11.425 -4.966
111 2HB GLU 19 1HB GLU 19 1.200 -10.072 -3.835
112 1HG GLU 19 2HG GLU 19 2.996 -9.284 -4.964
113 2HG GLU 19 1HG GLU 19 3.911 -10.580 -4.194
114 H TYR 20 H TYR 20 4.266 -12.350 -1.760
115 HA TYR 20 HA TYR 20 3.802 -10.265 0.281
116 1HB TYR 20 2HB TYR 20 4.766 -12.723 0.611
117 2HB TYR 20 1HB TYR 20 6.290 -11.925 0.217
118 HD1 TYR 20 1HD TYR 20 3.744 -12.434 2.739
119 HD2 TYR 20 2HD TYR 20 7.001 -9.892 1.561
120 HE1 TYR 20 1HE TYR 20 3.863 -11.520 5.043
121 HE2 TYR 20 2HE TYR 20 7.121 -8.977 3.863
122 HH TYR 20 HH TYR 20 4.705 -9.327 6.111
123 H ARG 21 H ARG 21 4.620 -8.276 0.007
124 HA ARG 21 HA ARG 21 7.269 -7.916 -1.231
125 1HB ARG 21 2HB ARG 21 4.979 -7.628 -2.803
126 2HB ARG 21 1HB ARG 21 5.398 -5.977 -2.340
127 1HG ARG 21 2HG ARG 21 7.113 -5.978 -3.793
128 2HG ARG 21 1HG ARG 21 7.809 -7.388 -2.993
129 1HD ARG 21 2HD ARG 21 5.688 -7.434 -5.160
130 2HD ARG 21 1HD ARG 21 7.378 -7.901 -5.348
131 HE ARG 21 HE ARG 21 5.492 -9.372 -3.548
132 1HH1 ARG 21 1HH2 ARG 21 5.871 -10.395 -6.349
133 2HH1 ARG 21 2HH2 ARG 21 7.131 -11.563 -6.136
134 1HH2 ARG 21 1HH1 ARG 21 8.083 -10.366 -3.028
135 2HH2 ARG 21 2HH1 ARG 21 8.381 -11.546 -4.259
136 HA PRO 22 HA PRO 22 6.728 -5.065 2.224
137 1HB PRO 22 2HB PRO 22 9.414 -4.920 2.786
138 2HB PRO 22 1HB PRO 22 8.359 -6.221 3.369
139 1HG PRO 22 2HG PRO 22 10.402 -6.296 1.196
140 2HG PRO 22 1HG PRO 22 9.804 -7.613 2.219
141 1HD PRO 22 2HD PRO 22 9.034 -7.105 -0.457
142 2HD PRO 22 1HD PRO 22 8.216 -8.203 0.676
143 H LEU 23 H LEU 23 6.120 -3.265 0.901
144 HA LEU 23 HA LEU 23 8.271 -1.806 -0.545
145 1HB LEU 23 2HB LEU 23 5.420 -0.885 -0.415
146 2HB LEU 23 1HB LEU 23 6.572 -0.735 -1.741
147 HG LEU 23 HG LEU 23 5.433 -3.387 -0.809
148 1HD1 LEU 23 1HD1 LEU 23 3.729 -3.218 -2.381
149 2HD1 LEU 23 2HD1 LEU 23 4.593 -2.015 -3.339
150 3HD1 LEU 23 3HD1 LEU 23 3.827 -1.549 -1.820
151 1HD2 LEU 23 1HD2 LEU 23 7.309 -3.940 -2.040
152 2HD2 LEU 23 2HD2 LEU 23 7.262 -2.444 -2.969
153 3HD2 LEU 23 3HD2 LEU 23 6.153 -3.758 -3.360
154 H CYS 24 H CYS 24 8.853 0.333 0.043
155 HA CYS 24 HA CYS 24 8.111 1.101 2.805
156 1HB CYS 24 2HB CYS 24 10.481 1.309 2.045
157 2HB CYS 24 1HB CYS 24 9.962 2.465 0.817
158 H GLY 25 H GLY 25 5.963 1.792 2.630
159 1HA GLY 25 2HA GLY 25 5.136 3.539 0.446
160 2HA GLY 25 1HA GLY 25 4.130 3.005 1.786
161 H SER 26 H SER 26 4.551 5.701 0.579
162 HA SER 26 HA SER 26 6.059 7.407 2.266
163 1HB SER 26 2HB SER 26 3.943 7.698 0.290
164 2HB SER 26 1HB SER 26 3.771 8.865 1.597
165 HG SER 26 HG SER 26 5.517 8.857 -0.418
166 H ASP 27 H ASP 27 3.462 5.446 3.167
167 HA ASP 27 HA ASP 27 2.265 7.238 5.107
168 1HB ASP 27 2HB ASP 27 0.954 5.351 5.758
169 2HB ASP 27 1HB ASP 27 1.170 5.196 4.015
170 H ASN 28 H ASN 28 5.300 6.111 5.018
171 HA ASN 28 HA ASN 28 6.930 6.150 6.717
172 1HB ASN 28 2HB ASN 28 4.863 7.420 7.938
173 2HB ASN 28 1HB ASN 28 4.989 5.979 8.948
174 1HD2 ASN 28 1HD2 ASN 28 7.988 5.815 8.302
175 2HD2 ASN 28 2HD2 ASN 28 8.689 7.007 9.288
176 H LYS 29 H LYS 29 5.324 3.665 5.697
177 HA LYS 29 HA LYS 29 6.657 1.860 7.617
178 1HB LYS 29 2HB LYS 29 3.715 2.206 7.537
179 2HB LYS 29 1HB LYS 29 4.295 0.539 7.540
180 1HG LYS 29 2HG LYS 29 5.702 2.299 9.439
181 2HG LYS 29 1HG LYS 29 3.989 2.073 9.800
182 1HD LYS 29 2HD LYS 29 4.239 -0.160 10.251
183 2HD LYS 29 1HD LYS 29 5.510 -0.368 9.046
184 1HE LYS 29 2HE LYS 29 6.458 1.401 11.107
185 2HE LYS 29 1HE LYS 29 5.818 -0.061 11.856
186 1HZ LYS 29 1HZ LYS 29 7.226 -1.401 10.488
187 2HZ LYS 29 2HZ LYS 29 8.192 -0.214 11.228
188 3HZ LYS 29 3HZ LYS 29 7.745 -0.055 9.596
189 H THR 30 H THR 30 6.203 -0.518 6.867
190 HA THR 30 HA THR 30 6.691 -0.486 3.969
191 HB THR 30 HB THR 30 6.800 -2.806 5.914
192 HG1 THR 30 1HG THR 30 8.331 -0.813 5.908
193 1HG2 THR 30 1HG2 THR 30 8.373 -3.571 3.921
194 2HG2 THR 30 2HG2 THR 30 7.362 -2.464 2.992
195 3HG2 THR 30 3HG2 THR 30 6.631 -3.830 3.836
196 H TYR 31 H TYR 31 5.529 -2.162 2.600
197 HA TYR 31 HA TYR 31 2.689 -2.407 3.500
198 1HB TYR 31 2HB TYR 31 3.957 -1.616 0.919
199 2HB TYR 31 1HB TYR 31 2.476 -2.568 0.830
200 HD1 TYR 31 1HD TYR 31 3.628 0.685 0.794
201 HD2 TYR 31 2HD TYR 31 0.691 -1.741 2.789
202 HE1 TYR 31 1HE TYR 31 2.301 2.714 1.312
203 HE2 TYR 31 2HE TYR 31 -0.633 0.291 3.305
204 HH TYR 31 HH TYR 31 0.500 3.525 2.311
205 H GLY 32 H GLY 32 1.562 -4.349 2.776
206 1HA GLY 32 2HA GLY 32 3.337 -6.690 2.728
207 2HA GLY 32 1HA GLY 32 1.575 -6.728 2.814
208 H ASN 33 H ASN 33 1.673 -4.717 0.437
209 HA ASN 33 HA ASN 33 2.851 -5.852 -1.829
210 1HB ASN 33 2HB ASN 33 0.787 -7.085 -2.759
211 2HB ASN 33 1HB ASN 33 1.746 -7.928 -1.542
212 1HD2 ASN 33 1HD2 ASN 33 0.520 -8.808 0.122
213 2HD2 ASN 33 2HD2 ASN 33 -0.995 -8.234 0.627
214 H LYS 34 H LYS 34 1.674 -5.166 -3.886
215 HA LYS 34 HA LYS 34 0.894 -2.436 -3.706
216 1HB LYS 34 2HB LYS 34 0.290 -2.641 -6.074
217 2HB LYS 34 1HB LYS 34 1.806 -3.485 -5.768
218 1HG LYS 34 2HG LYS 34 0.787 -5.213 -6.846
219 2HG LYS 34 1HG LYS 34 0.002 -5.478 -5.288
220 1HD LYS 34 2HD LYS 34 -1.941 -5.242 -6.431
221 2HD LYS 34 1HD LYS 34 -1.576 -3.517 -6.409
222 1HE LYS 34 2HE LYS 34 -0.084 -4.259 -8.535
223 2HE LYS 34 1HE LYS 34 -1.362 -5.470 -8.639
224 1HZ LYS 34 1HZ LYS 34 -1.492 -2.597 -9.025
225 2HZ LYS 34 2HZ LYS 34 -2.791 -3.280 -8.170
226 3HZ LYS 34 3HZ LYS 34 -2.416 -3.831 -9.732
227 H CYS 35 H CYS 35 -0.901 -5.340 -3.236
228 HA CYS 35 HA CYS 35 -3.508 -4.240 -3.887
229 1HB CYS 35 2HB CYS 35 -3.088 -6.680 -3.805
230 2HB CYS 35 1HB CYS 35 -2.764 -6.561 -2.076
231 H ASN 36 H ASN 36 -1.445 -4.352 -1.050
232 HA ASN 36 HA ASN 36 -3.486 -3.212 0.717
233 1HB ASN 36 2HB ASN 36 -1.081 -4.623 1.067
234 2HB ASN 36 1HB ASN 36 -0.739 -2.996 1.643
235 1HD2 ASN 36 1HD2 ASN 36 -3.689 -5.072 1.797
236 2HD2 ASN 36 2HD2 ASN 36 -3.890 -4.915 3.475
237 H PHE 37 H PHE 37 -1.108 -2.146 -1.516
238 HA PHE 37 HA PHE 37 -0.695 0.492 -0.361
239 1HB PHE 37 2HB PHE 37 0.978 -0.624 -1.831
240 2HB PHE 37 1HB PHE 37 -0.160 -0.523 -3.175
241 HD1 PHE 37 1HD PHE 37 -1.034 1.826 -3.828
242 HD2 PHE 37 2HD PHE 37 2.403 1.176 -1.331
243 HE1 PHE 37 1HE PHE 37 -0.249 4.128 -4.309
244 HE2 PHE 37 2HE PHE 37 3.186 3.479 -1.814
245 HZ PHE 37 HZ PHE 37 1.861 4.953 -3.303
246 H CYS 38 H CYS 38 -2.691 -0.872 -2.967
247 HA CYS 38 HA CYS 38 -3.860 1.720 -3.623
248 1HB CYS 38 2HB CYS 38 -4.505 -1.128 -4.417
249 2HB CYS 38 1HB CYS 38 -5.488 0.239 -4.940
250 H CYS 39 H CYS 39 -4.421 -0.766 -1.298
251 HA CYS 39 HA CYS 39 -7.239 -0.073 -0.873
252 1HB CYS 39 2HB CYS 39 -6.205 -2.364 -0.421
253 2HB CYS 39 1HB CYS 39 -5.454 -1.636 1.000
254 H ALA 40 H ALA 40 -4.154 0.483 0.802
255 HA ALA 40 HA ALA 40 -5.284 2.008 2.960
256 1HB ALA 40 1HB ALA 40 -3.057 1.177 3.259
257 2HB ALA 40 2HB ALA 40 -2.902 2.929 3.133
258 3HB ALA 40 3HB ALA 40 -2.509 1.908 1.750
259 H VAL 41 H VAL 41 -4.397 2.731 -0.333
260 HA VAL 41 HA VAL 41 -4.400 5.617 -0.039
261 HB VAL 41 HB VAL 41 -4.614 3.745 -2.405
262 1HG1 VAL 41 1HG1 VAL 41 -5.916 5.662 -3.054
263 2HG1 VAL 41 2HG1 VAL 41 -4.323 5.862 -3.785
264 3HG1 VAL 41 3HG1 VAL 41 -4.751 6.772 -2.336
265 1HG2 VAL 41 1HG2 VAL 41 -2.369 4.076 -2.607
266 2HG2 VAL 41 2HG2 VAL 41 -2.465 4.571 -0.917
267 3HG2 VAL 41 3HG2 VAL 41 -2.489 5.786 -2.195
268 H VAL 42 H VAL 42 -6.821 3.161 -0.757
269 HA VAL 42 HA VAL 42 -8.903 4.971 -1.571
270 HB VAL 42 HB VAL 42 -8.809 2.131 -0.588
271 1HG1 VAL 42 1HG1 VAL 42 -11.223 3.920 -0.714
272 2HG1 VAL 42 2HG1 VAL 42 -10.816 2.684 0.476
273 3HG1 VAL 42 3HG1 VAL 42 -11.379 2.213 -1.128
274 1HG2 VAL 42 1HG2 VAL 42 -8.747 3.428 -3.076
275 2HG2 VAL 42 2HG2 VAL 42 -10.365 2.737 -2.963
276 3HG2 VAL 42 3HG2 VAL 42 -8.950 1.699 -2.795
277 H GLU 43 H GLU 43 -7.676 3.956 1.560
278 HA GLU 43 HA GLU 43 -9.947 5.320 2.915
279 1HB GLU 43 2HB GLU 43 -9.202 4.267 4.937
280 2HB GLU 43 1HB GLU 43 -9.126 3.036 3.677
281 1HG GLU 43 2HG GLU 43 -6.931 2.761 4.069
282 2HG GLU 43 1HG GLU 43 -6.646 4.456 3.672
283 H SER 44 H SER 44 -6.819 5.979 1.811
284 HA SER 44 HA SER 44 -6.229 7.951 3.936
285 1HB SER 44 2HB SER 44 -4.734 6.742 1.663
286 2HB SER 44 1HB SER 44 -4.285 8.381 2.128
287 HG SER 44 HG SER 44 -4.099 5.978 3.545
288 H ASN 45 H ASN 45 -7.977 7.834 1.055
289 HA ASN 45 HA ASN 45 -9.109 9.574 -0.064
290 1HB ASN 45 2HB ASN 45 -8.781 10.698 2.309
291 2HB ASN 45 1HB ASN 45 -7.567 11.651 1.454
292 1HD2 ASN 45 1HD2 ASN 45 -9.244 11.323 -1.116
293 2HD2 ASN 45 2HD2 ASN 45 -10.492 12.459 -0.935
294 H GLY 46 H GLY 46 -6.381 8.473 -0.705
295 1HA GLY 46 2HA GLY 46 -4.947 8.815 -2.554
296 2HA GLY 46 1HA GLY 46 -5.783 10.338 -2.869
297 H THR 47 H THR 47 -4.718 9.925 0.366
298 HA THR 47 HA THR 47 -2.556 11.910 -0.143
299 HB THR 47 HB THR 47 -2.774 12.540 2.176
300 HG1 THR 47 1HG THR 47 -3.071 10.607 3.175
301 1HG2 THR 47 1HG2 THR 47 -5.037 12.461 0.367
302 2HG2 THR 47 2HG2 THR 47 -4.539 13.744 1.468
303 3HG2 THR 47 3HG2 THR 47 -5.578 12.440 2.045
304 H LEU 48 H LEU 48 -2.565 8.811 -0.322
305 HA LEU 48 HA LEU 48 -0.146 8.435 1.391
306 1HB LEU 48 2HB LEU 48 -2.385 7.087 1.870
307 2HB LEU 48 1HB LEU 48 -1.819 6.103 0.520
308 HG LEU 48 HG LEU 48 0.265 5.631 1.649
309 1HD1 LEU 48 1HD1 LEU 48 -0.045 6.669 4.237
310 2HD1 LEU 48 2HD1 LEU 48 -0.472 8.001 3.164
311 3HD1 LEU 48 3HD1 LEU 48 1.102 7.219 3.015
312 1HD2 LEU 48 1HD2 LEU 48 -1.617 4.215 2.299
313 2HD2 LEU 48 2HD2 LEU 48 -2.107 5.386 3.523
314 3HD2 LEU 48 3HD2 LEU 48 -0.591 4.504 3.705
315 H THR 49 H THR 49 1.577 7.191 0.391
316 HA THR 49 HA THR 49 1.191 6.458 -2.442
317 HB THR 49 HB THR 49 2.636 8.004 -3.371
318 HG1 THR 49 1HG THR 49 4.436 8.534 -2.428
319 1HG2 THR 49 1HG2 THR 49 2.120 10.210 -2.464
320 2HG2 THR 49 2HG2 THR 49 1.641 9.491 -0.926
321 3HG2 THR 49 3HG2 THR 49 0.686 9.187 -2.376
322 H LEU 50 H LEU 50 3.969 6.417 -3.000
323 HA LEU 50 HA LEU 50 4.877 4.064 -1.398
324 1HB LEU 50 2HB LEU 50 4.355 3.800 -3.884
325 2HB LEU 50 1HB LEU 50 5.704 4.886 -4.202
326 HG LEU 50 HG LEU 50 7.244 3.339 -3.088
327 1HD1 LEU 50 1HD1 LEU 50 4.746 2.249 -2.091
328 2HD1 LEU 50 2HD1 LEU 50 6.390 1.949 -1.525
329 3HD1 LEU 50 3HD1 LEU 50 5.721 0.987 -2.843
330 1HD2 LEU 50 1HD2 LEU 50 6.440 1.239 -4.644
331 2HD2 LEU 50 2HD2 LEU 50 7.322 2.640 -5.248
332 3HD2 LEU 50 3HD2 LEU 50 5.564 2.576 -5.389
333 H SER 51 H SER 51 7.392 3.937 -1.417
334 HA SER 51 HA SER 51 8.629 6.643 -1.392
335 1HB SER 51 2HB SER 51 9.401 4.791 0.809
336 2HB SER 51 1HB SER 51 9.294 6.547 0.806
337 HG SER 51 HG SER 51 7.103 6.407 1.021
338 H HIS 52 H HIS 52 9.256 3.134 -1.032
339 HA HIS 52 HA HIS 52 11.068 2.984 -3.183
340 1HB HIS 52 2HB HIS 52 13.229 3.117 -2.222
341 2HB HIS 52 1HB HIS 52 12.378 4.513 -1.569
342 HD1 HIS 52 1HD HIS 52 13.671 1.114 -0.609
343 HD2 HIS 52 2HD HIS 52 11.896 4.412 1.221
344 HE1 HIS 52 1HE HIS 52 13.866 0.738 1.886
345 H PHE 53 H PHE 53 10.461 0.944 -3.626
346 HA PHE 53 HA PHE 53 9.488 -1.076 -2.066
347 1HB PHE 53 2HB PHE 53 11.093 -0.994 -4.541
348 2HB PHE 53 1HB PHE 53 11.158 -2.529 -3.679
349 HD1 PHE 53 1HD PHE 53 9.667 -4.069 -4.581
350 HD2 PHE 53 2HD PHE 53 8.475 0.040 -4.223
351 HE1 PHE 53 1HE PHE 53 7.417 -4.648 -5.448
352 HE2 PHE 53 2HE PHE 53 6.226 -0.539 -5.089
353 HZ PHE 53 HZ PHE 53 5.697 -2.879 -5.704
354 H GLY 54 H GLY 54 10.199 -1.969 -0.207
355 1HA GLY 54 2HA GLY 54 12.113 -3.481 0.622
356 2HA GLY 54 1HA GLY 54 13.143 -2.087 0.289
357 H LYS 55 H LYS 55 12.485 -3.457 2.890
358 HA LYS 55 HA LYS 55 10.733 -2.137 4.568
359 1HB LYS 55 2HB LYS 55 12.388 -3.932 5.244
360 2HB LYS 55 1HB LYS 55 13.617 -2.669 5.332
361 1HG LYS 55 2HG LYS 55 12.934 -2.402 7.479
362 2HG LYS 55 1HG LYS 55 11.540 -1.573 6.784
363 1HD LYS 55 2HD LYS 55 10.165 -3.203 7.502
364 2HD LYS 55 1HD LYS 55 11.118 -4.419 6.652
365 1HE LYS 55 2HE LYS 55 12.770 -4.056 8.711
366 2HE LYS 55 1HE LYS 55 11.284 -3.532 9.505
367 1HZ LYS 55 1HZ LYS 55 10.253 -5.599 9.008
368 2HZ LYS 55 2HZ LYS 55 11.759 -5.946 9.714
369 3HZ LYS 55 3HZ LYS 55 11.549 -6.095 8.034
370 H CYS 56 H CYS 56 10.442 -0.043 5.176
371 HA CYS 56 HA CYS 56 11.843 2.108 4.040
372 1HB CYS 56 2HB CYS 56 10.383 1.946 6.692
373 2HB CYS 56 1HB CYS 56 10.974 3.459 5.999
Start of MODEL 2
1 1H ALA 3 1HT ALA 3 -0.430 8.072 -6.141
2 2H ALA 3 2HT ALA 3 -0.639 9.602 -5.431
3 3H ALA 3 3HT ALA 3 0.831 9.205 -6.184
4 HA ALA 3 HA ALA 3 -1.101 8.797 -8.107
5 1HB ALA 3 1HB ALA 3 -2.517 10.207 -6.500
6 2HB ALA 3 2HB ALA 3 -2.386 10.806 -8.154
7 3HB ALA 3 3HB ALA 3 -1.422 11.539 -6.871
8 H VAL 4 H VAL 4 1.631 8.756 -8.044
9 HA VAL 4 HA VAL 4 2.326 11.198 -9.607
10 HB VAL 4 HB VAL 4 4.736 10.649 -8.694
11 1HG1 VAL 4 1HG1 VAL 4 3.329 11.812 -6.446
12 2HG1 VAL 4 2HG1 VAL 4 2.683 12.435 -7.965
13 3HG1 VAL 4 3HG1 VAL 4 4.402 12.592 -7.606
14 1HG2 VAL 4 1HG2 VAL 4 3.412 8.613 -7.473
15 2HG2 VAL 4 2HG2 VAL 4 3.321 9.843 -6.213
16 3HG2 VAL 4 3HG2 VAL 4 4.891 9.329 -6.831
17 H SER 5 H SER 5 1.677 8.105 -9.931
18 HA SER 5 HA SER 5 2.553 7.600 -12.456
19 1HB SER 5 2HB SER 5 4.743 6.203 -11.838
20 2HB SER 5 1HB SER 5 4.832 7.918 -12.228
21 HG SER 5 HG SER 5 5.618 8.144 -10.300
22 H VAL 6 H VAL 6 0.621 6.672 -10.541
23 HA VAL 6 HA VAL 6 1.041 3.748 -10.878
24 HB VAL 6 HB VAL 6 1.730 4.233 -8.571
25 1HG1 VAL 6 1HG1 VAL 6 -0.320 6.173 -8.742
26 2HG1 VAL 6 2HG1 VAL 6 0.718 5.838 -7.356
27 3HG1 VAL 6 3HG1 VAL 6 -0.839 5.024 -7.509
28 1HG2 VAL 6 1HG2 VAL 6 0.368 2.613 -7.504
29 2HG2 VAL 6 2HG2 VAL 6 0.248 2.208 -9.217
30 3HG2 VAL 6 3HG2 VAL 6 -1.061 3.086 -8.424
31 H ASP 7 H ASP 7 -0.787 2.801 -11.672
32 HA ASP 7 HA ASP 7 -3.268 4.447 -11.714
33 1HB ASP 7 2HB ASP 7 -2.033 2.484 -13.531
34 2HB ASP 7 1HB ASP 7 -3.772 2.282 -13.324
35 H CYS 8 H CYS 8 -3.505 3.769 -9.351
36 HA CYS 8 HA CYS 8 -4.850 1.100 -9.232
37 1HB CYS 8 2HB CYS 8 -2.591 1.783 -7.828
38 2HB CYS 8 1HB CYS 8 -3.865 2.200 -6.681
39 H SER 9 H SER 9 -5.937 3.824 -9.811
40 HA SER 9 HA SER 9 -7.428 4.587 -7.413
41 1HB SER 9 2HB SER 9 -8.257 5.528 -10.120
42 2HB SER 9 1HB SER 9 -8.118 6.431 -8.613
43 HG SER 9 HG SER 9 -6.260 5.947 -10.578
44 H GLU 10 H GLU 10 -7.713 1.876 -8.881
45 HA GLU 10 HA GLU 10 -10.646 1.773 -8.606
46 1HB GLU 10 2HB GLU 10 -9.538 1.997 -11.129
47 2HB GLU 10 1HB GLU 10 -9.686 0.250 -10.931
48 1HG GLU 10 2HG GLU 10 -12.074 1.396 -9.908
49 2HG GLU 10 1HG GLU 10 -11.758 2.169 -11.462
50 H TYR 11 H TYR 11 -8.212 0.777 -7.152
51 HA TYR 11 HA TYR 11 -8.796 -2.152 -7.388
52 1HB TYR 11 2HB TYR 11 -6.307 -0.739 -7.488
53 2HB TYR 11 1HB TYR 11 -6.328 -1.739 -6.036
54 HD1 TYR 11 1HD TYR 11 -7.628 -2.092 -9.549
55 HD2 TYR 11 2HD TYR 11 -5.352 -3.823 -6.342
56 HE1 TYR 11 1HE TYR 11 -7.216 -4.110 -10.930
57 HE2 TYR 11 2HE TYR 11 -4.941 -5.840 -7.723
58 HH TYR 11 HH TYR 11 -5.576 -5.939 -11.066
59 HA PRO 12 HA PRO 12 -9.573 -0.554 -2.997
60 1HB PRO 12 2HB PRO 12 -12.319 -0.481 -3.047
61 2HB PRO 12 1HB PRO 12 -11.302 0.928 -3.399
62 1HG PRO 12 2HG PRO 12 -12.812 -0.826 -5.299
63 2HG PRO 12 1HG PRO 12 -12.415 0.896 -5.434
64 1HD PRO 12 2HD PRO 12 -11.061 -1.160 -6.773
65 2HD PRO 12 1HD PRO 12 -10.429 0.476 -6.481
66 H LYS 13 H LYS 13 -8.845 -2.787 -2.625
67 HA LYS 13 HA LYS 13 -11.030 -4.565 -1.860
68 1HB LYS 13 2HB LYS 13 -10.082 -6.468 -3.282
69 2HB LYS 13 1HB LYS 13 -10.983 -5.227 -4.154
70 1HG LYS 13 2HG LYS 13 -8.883 -4.114 -4.780
71 2HG LYS 13 1HG LYS 13 -7.963 -5.317 -3.875
72 1HD LYS 13 2HD LYS 13 -9.810 -6.592 -5.719
73 2HD LYS 13 1HD LYS 13 -8.732 -5.482 -6.567
74 1HE LYS 13 2HE LYS 13 -7.450 -7.430 -6.535
75 2HE LYS 13 1HE LYS 13 -6.873 -6.607 -5.085
76 1HZ LYS 13 1HZ LYS 13 -9.060 -8.611 -5.099
77 2HZ LYS 13 2HZ LYS 13 -8.318 -7.914 -3.738
78 3HZ LYS 13 3HZ LYS 13 -7.444 -8.974 -4.737
79 H CYS 14 H CYS 14 -10.073 -4.486 0.204
80 HA CYS 14 HA CYS 14 -7.250 -5.297 0.496
81 1HB CYS 14 2HB CYS 14 -9.131 -4.895 2.806
82 2HB CYS 14 1HB CYS 14 -7.403 -4.560 2.710
83 H ALA 15 H ALA 15 -9.311 -7.201 -0.527
84 HA ALA 15 HA ALA 15 -9.408 -9.173 1.702
85 1HB ALA 15 1HB ALA 15 -10.640 -9.965 -0.837
86 2HB ALA 15 2HB ALA 15 -11.301 -8.460 -0.197
87 3HB ALA 15 3HB ALA 15 -11.338 -9.926 0.782
88 H CYS 16 H CYS 16 -6.857 -8.795 0.739
89 HA CYS 16 HA CYS 16 -6.355 -10.860 -1.319
90 1HB CYS 16 2HB CYS 16 -4.610 -8.840 0.092
91 2HB CYS 16 1HB CYS 16 -3.928 -10.115 -0.917
92 H THR 17 H THR 17 -4.348 -12.302 -0.770
93 HA THR 17 HA THR 17 -4.978 -13.630 1.807
94 HB THR 17 HB THR 17 -3.163 -15.263 0.603
95 HG1 THR 17 1HG THR 17 -4.697 -14.228 -1.521
96 1HG2 THR 17 1HG2 THR 17 -5.030 -16.624 0.016
97 2HG2 THR 17 2HG2 THR 17 -6.074 -15.221 -0.203
98 3HG2 THR 17 3HG2 THR 17 -5.550 -15.685 1.416
99 H MET 18 H MET 18 -1.828 -13.900 0.272
100 HA MET 18 HA MET 18 -0.601 -12.128 2.294
101 1HB MET 18 2HB MET 18 -0.484 -15.103 2.347
102 2HB MET 18 1HB MET 18 1.014 -14.239 2.689
103 1HG MET 18 2HG MET 18 -1.598 -13.572 4.059
104 2HG MET 18 1HG MET 18 -0.452 -14.741 4.713
105 1HE MET 18 1HE MET 18 -1.799 -12.301 5.681
106 2HE MET 18 2HE MET 18 -0.866 -10.824 5.916
107 3HE MET 18 3HE MET 18 -0.578 -12.216 6.958
108 H GLU 19 H GLU 19 -0.541 -11.596 -0.388
109 HA GLU 19 HA GLU 19 1.615 -12.795 -1.842
110 1HB GLU 19 2HB GLU 19 -0.084 -11.340 -2.908
111 2HB GLU 19 1HB GLU 19 0.546 -9.956 -2.012
112 1HG GLU 19 2HG GLU 19 1.643 -9.768 -4.079
113 2HG GLU 19 1HG GLU 19 2.833 -10.610 -3.086
114 H TYR 20 H TYR 20 3.835 -12.488 -1.637
115 HA TYR 20 HA TYR 20 4.700 -10.726 0.570
116 1HB TYR 20 2HB TYR 20 5.554 -13.188 -0.085
117 2HB TYR 20 1HB TYR 20 6.711 -12.223 -1.007
118 HD1 TYR 20 1HD TYR 20 8.333 -10.805 0.078
119 HD2 TYR 20 2HD TYR 20 5.403 -12.941 2.377
120 HE1 TYR 20 1HE TYR 20 9.570 -10.260 2.156
121 HE2 TYR 20 2HE TYR 20 6.640 -12.399 4.457
122 HH TYR 20 HH TYR 20 8.548 -10.153 4.928
123 H ARG 21 H ARG 21 4.970 -8.680 0.029
124 HA ARG 21 HA ARG 21 6.967 -7.877 -1.914
125 1HB ARG 21 2HB ARG 21 4.435 -8.173 -2.978
126 2HB ARG 21 1HB ARG 21 4.446 -6.473 -2.509
127 1HG ARG 21 2HG ARG 21 5.677 -5.995 -4.322
128 2HG ARG 21 1HG ARG 21 6.966 -7.025 -3.699
129 1HD ARG 21 2HD ARG 21 4.675 -7.820 -5.506
130 2HD ARG 21 1HD ARG 21 6.403 -7.903 -5.852
131 HE ARG 21 HE ARG 21 4.986 -9.684 -3.913
132 1HH1 ARG 21 1HH2 ARG 21 7.893 -9.452 -3.373
133 2HH1 ARG 21 2HH2 ARG 21 8.566 -10.714 -4.350
134 1HH2 ARG 21 1HH1 ARG 21 5.729 -11.072 -6.311
135 2HH2 ARG 21 2HH1 ARG 21 7.341 -11.631 -6.013
136 HA PRO 22 HA PRO 22 6.389 -5.193 1.740
137 1HB PRO 22 2HB PRO 22 9.088 -4.942 2.221
138 2HB PRO 22 1HB PRO 22 8.087 -6.252 2.870
139 1HG PRO 22 2HG PRO 22 10.050 -6.324 0.619
140 2HG PRO 22 1HG PRO 22 9.554 -7.623 1.717
141 1HD PRO 22 2HD PRO 22 8.653 -7.303 -0.931
142 2HD PRO 22 1HD PRO 22 7.876 -8.314 0.306
143 H LEU 23 H LEU 23 5.797 -3.208 0.868
144 HA LEU 23 HA LEU 23 7.884 -1.769 -0.737
145 1HB LEU 23 2HB LEU 23 4.883 -1.800 -0.875
146 2HB LEU 23 1HB LEU 23 5.769 -0.390 -1.456
147 HG LEU 23 HG LEU 23 5.989 -3.251 -2.426
148 1HD1 LEU 23 1HD1 LEU 23 4.158 -1.665 -3.260
149 2HD1 LEU 23 2HD1 LEU 23 5.189 -2.386 -4.497
150 3HD1 LEU 23 3HD1 LEU 23 5.454 -0.718 -3.990
151 1HD2 LEU 23 1HD2 LEU 23 7.879 -0.955 -2.617
152 2HD2 LEU 23 2HD2 LEU 23 7.618 -1.898 -4.085
153 3HD2 LEU 23 3HD2 LEU 23 8.210 -2.687 -2.626
154 H CYS 24 H CYS 24 8.452 0.314 -0.073
155 HA CYS 24 HA CYS 24 7.539 1.052 2.643
156 1HB CYS 24 2HB CYS 24 10.004 0.983 1.825
157 2HB CYS 24 1HB CYS 24 9.630 2.522 1.050
158 H GLY 25 H GLY 25 5.527 2.068 2.394
159 1HA GLY 25 2HA GLY 25 4.941 3.952 0.295
160 2HA GLY 25 1HA GLY 25 4.029 3.792 1.796
161 H SER 26 H SER 26 4.791 6.258 0.426
162 HA SER 26 HA SER 26 7.032 7.564 1.554
163 1HB SER 26 2HB SER 26 5.355 8.388 -0.247
164 2HB SER 26 1HB SER 26 4.433 9.009 1.119
165 HG SER 26 HG SER 26 5.763 10.635 0.929
166 H ASP 27 H ASP 27 4.236 6.462 3.180
167 HA ASP 27 HA ASP 27 4.306 8.482 5.292
168 1HB ASP 27 2HB ASP 27 2.578 7.193 6.335
169 2HB ASP 27 1HB ASP 27 2.261 7.119 4.600
170 H ASN 28 H ASN 28 6.639 6.454 4.537
171 HA ASN 28 HA ASN 28 8.409 5.524 5.755
172 1HB ASN 28 2HB ASN 28 7.265 7.509 7.458
173 2HB ASN 28 1HB ASN 28 7.606 6.090 8.446
174 1HD2 ASN 28 1HD2 ASN 28 9.888 5.223 8.333
175 2HD2 ASN 28 2HD2 ASN 28 11.155 6.294 7.976
176 H LYS 29 H LYS 29 6.119 3.960 5.098
177 HA LYS 29 HA LYS 29 6.182 2.043 7.387
178 1HB LYS 29 2HB LYS 29 3.951 3.531 6.709
179 2HB LYS 29 1HB LYS 29 3.681 2.009 5.860
180 1HG LYS 29 2HG LYS 29 4.141 0.787 7.989
181 2HG LYS 29 1HG LYS 29 4.268 2.340 8.816
182 1HD LYS 29 2HD LYS 29 1.877 2.561 7.430
183 2HD LYS 29 1HD LYS 29 1.878 0.879 7.964
184 1HE LYS 29 2HE LYS 29 2.758 2.853 9.989
185 2HE LYS 29 1HE LYS 29 1.058 2.947 9.528
186 1HZ LYS 29 1HZ LYS 29 0.702 1.222 10.846
187 2HZ LYS 29 2HZ LYS 29 2.363 1.022 11.139
188 3HZ LYS 29 3HZ LYS 29 1.634 0.262 9.806
189 H THR 30 H THR 30 5.555 -0.193 6.680
190 HA THR 30 HA THR 30 6.302 -0.657 3.822
191 HB THR 30 HB THR 30 6.909 -2.512 6.137
192 HG1 THR 30 1HG THR 30 8.854 -1.604 6.253
193 1HG2 THR 30 1HG2 THR 30 6.715 -3.361 3.723
194 2HG2 THR 30 2HG2 THR 30 8.216 -3.727 4.574
195 3HG2 THR 30 3HG2 THR 30 8.167 -2.416 3.396
196 H TYR 31 H TYR 31 4.656 -1.656 2.715
197 HA TYR 31 HA TYR 31 2.500 -2.909 4.307
198 1HB TYR 31 2HB TYR 31 1.947 -3.134 1.530
199 2HB TYR 31 1HB TYR 31 1.165 -2.100 2.709
200 HD1 TYR 31 1HD TYR 31 2.785 0.031 3.384
201 HD2 TYR 31 2HD TYR 31 2.705 -2.088 -0.348
202 HE1 TYR 31 1HE TYR 31 3.697 2.025 2.225
203 HE2 TYR 31 2HE TYR 31 3.625 -0.102 -1.501
204 HH TYR 31 HH TYR 31 5.070 1.943 -0.748
205 H GLY 32 H GLY 32 1.627 -5.021 3.539
206 1HA GLY 32 2HA GLY 32 3.789 -6.943 3.242
207 2HA GLY 32 1HA GLY 32 2.068 -7.326 3.319
208 H ASN 33 H ASN 33 1.835 -5.149 1.053
209 HA ASN 33 HA ASN 33 3.177 -6.110 -1.244
210 1HB ASN 33 2HB ASN 33 1.208 -7.382 -2.271
211 2HB ASN 33 1HB ASN 33 2.117 -8.227 -1.018
212 1HD2 ASN 33 1HD2 ASN 33 0.418 -9.485 -0.102
213 2HD2 ASN 33 2HD2 ASN 33 -0.960 -8.803 0.617
214 H LYS 34 H LYS 34 2.016 -5.394 -3.290
215 HA LYS 34 HA LYS 34 1.153 -2.704 -3.044
216 1HB LYS 34 2HB LYS 34 1.550 -4.634 -5.182
217 2HB LYS 34 1HB LYS 34 0.120 -3.646 -5.476
218 1HG LYS 34 2HG LYS 34 1.624 -1.636 -4.846
219 2HG LYS 34 1HG LYS 34 2.972 -2.747 -5.091
220 1HD LYS 34 2HD LYS 34 2.784 -2.598 -7.332
221 2HD LYS 34 1HD LYS 34 1.055 -2.942 -7.263
222 1HE LYS 34 2HE LYS 34 1.357 -0.732 -8.221
223 2HE LYS 34 1HE LYS 34 0.664 -0.553 -6.609
224 1HZ LYS 34 1HZ LYS 34 3.082 0.475 -7.592
225 2HZ LYS 34 2HZ LYS 34 3.437 -0.618 -6.341
226 3HZ LYS 34 3HZ LYS 34 2.390 0.690 -6.060
227 H CYS 35 H CYS 35 -0.545 -5.616 -2.499
228 HA CYS 35 HA CYS 35 -3.187 -4.661 -3.244
229 1HB CYS 35 2HB CYS 35 -2.752 -7.067 -3.038
230 2HB CYS 35 1HB CYS 35 -2.331 -6.862 -1.337
231 H ASN 36 H ASN 36 -1.183 -4.611 -0.359
232 HA ASN 36 HA ASN 36 -3.285 -3.438 1.309
233 1HB ASN 36 2HB ASN 36 -0.903 -4.801 1.812
234 2HB ASN 36 1HB ASN 36 -0.531 -3.136 2.246
235 1HD2 ASN 36 1HD2 ASN 36 -3.239 -5.486 2.703
236 2HD2 ASN 36 2HD2 ASN 36 -3.562 -5.021 4.302
237 H PHE 37 H PHE 37 -0.846 -2.405 -0.887
238 HA PHE 37 HA PHE 37 -0.548 0.291 0.159
239 1HB PHE 37 2HB PHE 37 1.169 -0.851 -1.274
240 2HB PHE 37 1HB PHE 37 0.048 -0.754 -2.630
241 HD1 PHE 37 1HD PHE 37 0.279 1.064 -4.063
242 HD2 PHE 37 2HD PHE 37 1.425 1.492 0.057
243 HE1 PHE 37 1HE PHE 37 1.007 3.393 -4.506
244 HE2 PHE 37 2HE PHE 37 2.159 3.825 -0.384
245 HZ PHE 37 HZ PHE 37 1.944 4.769 -2.671
246 H CYS 38 H CYS 38 -2.395 -1.221 -2.477
247 HA CYS 38 HA CYS 38 -3.671 1.281 -3.244
248 1HB CYS 38 2HB CYS 38 -4.314 -1.610 -3.904
249 2HB CYS 38 1HB CYS 38 -5.141 -0.224 -4.616
250 H CYS 39 H CYS 39 -4.170 -1.113 -0.823
251 HA CYS 39 HA CYS 39 -7.022 -0.623 -0.460
252 1HB CYS 39 2HB CYS 39 -6.176 -2.745 0.307
253 2HB CYS 39 1HB CYS 39 -4.916 -1.961 1.259
254 H ALA 40 H ALA 40 -4.022 0.422 1.120
255 HA ALA 40 HA ALA 40 -5.445 2.190 2.961
256 1HB ALA 40 1HB ALA 40 -2.641 1.385 2.467
257 2HB ALA 40 2HB ALA 40 -3.472 1.695 3.992
258 3HB ALA 40 3HB ALA 40 -2.849 3.041 3.037
259 H VAL 41 H VAL 41 -4.262 2.350 -0.262
260 HA VAL 41 HA VAL 41 -3.950 5.251 -0.347
261 HB VAL 41 HB VAL 41 -4.125 3.116 -2.487
262 1HG1 VAL 41 1HG1 VAL 41 -3.577 6.075 -2.862
263 2HG1 VAL 41 2HG1 VAL 41 -5.106 5.290 -3.262
264 3HG1 VAL 41 3HG1 VAL 41 -3.633 4.845 -4.125
265 1HG2 VAL 41 1HG2 VAL 41 -1.790 4.928 -2.105
266 2HG2 VAL 41 2HG2 VAL 41 -1.827 3.217 -2.536
267 3HG2 VAL 41 3HG2 VAL 41 -2.062 3.709 -0.860
268 H VAL 42 H VAL 42 -6.479 2.909 -1.098
269 HA VAL 42 HA VAL 42 -8.261 4.999 -2.141
270 HB VAL 42 HB VAL 42 -8.850 2.098 -1.475
271 1HG1 VAL 42 1HG1 VAL 42 -10.528 4.283 -2.185
272 2HG1 VAL 42 2HG1 VAL 42 -10.970 2.582 -2.053
273 3HG1 VAL 42 3HG1 VAL 42 -10.419 3.232 -3.597
274 1HG2 VAL 42 1HG2 VAL 42 -7.042 2.859 -3.300
275 2HG2 VAL 42 2HG2 VAL 42 -8.498 3.108 -4.265
276 3HG2 VAL 42 3HG2 VAL 42 -8.145 1.514 -3.596
277 H GLU 43 H GLU 43 -7.431 3.710 0.917
278 HA GLU 43 HA GLU 43 -10.036 4.500 2.106
279 1HB GLU 43 2HB GLU 43 -9.375 3.327 4.054
280 2HB GLU 43 1HB GLU 43 -8.763 2.338 2.729
281 1HG GLU 43 2HG GLU 43 -6.890 2.462 4.113
282 2HG GLU 43 1HG GLU 43 -6.598 3.808 3.010
283 H SER 44 H SER 44 -6.830 5.685 1.640
284 HA SER 44 HA SER 44 -7.211 7.743 3.764
285 1HB SER 44 2HB SER 44 -4.990 6.292 3.165
286 2HB SER 44 1HB SER 44 -4.712 7.715 2.166
287 HG SER 44 HG SER 44 -3.993 7.719 4.481
288 H ASN 45 H ASN 45 -8.239 7.417 0.769
289 HA ASN 45 HA ASN 45 -8.961 8.975 -0.830
290 1HB ASN 45 2HB ASN 45 -9.261 10.446 1.227
291 2HB ASN 45 1HB ASN 45 -7.659 11.102 0.884
292 1HD2 ASN 45 1HD2 ASN 45 -7.878 13.063 -0.201
293 2HD2 ASN 45 2HD2 ASN 45 -9.019 13.383 -1.416
294 H GLY 46 H GLY 46 -6.052 7.887 -0.430
295 1HA GLY 46 2HA GLY 46 -4.410 7.832 -2.203
296 2HA GLY 46 1HA GLY 46 -4.957 9.430 -2.720
297 H THR 47 H THR 47 -4.451 8.828 0.667
298 HA THR 47 HA THR 47 -2.417 10.916 0.748
299 HB THR 47 HB THR 47 -3.588 9.115 2.881
300 HG1 THR 47 1HG THR 47 -4.727 10.967 1.706
301 1HG2 THR 47 1HG2 THR 47 -1.897 9.767 4.201
302 2HG2 THR 47 2HG2 THR 47 -2.417 11.438 3.984
303 3HG2 THR 47 3HG2 THR 47 -1.216 10.739 2.897
304 H LEU 48 H LEU 48 -2.505 7.397 0.980
305 HA LEU 48 HA LEU 48 0.264 7.150 1.829
306 1HB LEU 48 2HB LEU 48 -1.740 5.415 1.939
307 2HB LEU 48 1HB LEU 48 -1.146 4.960 0.341
308 HG LEU 48 HG LEU 48 1.193 4.893 1.478
309 1HD1 LEU 48 1HD1 LEU 48 0.870 5.817 3.600
310 2HD1 LEU 48 2HD1 LEU 48 0.769 4.091 3.947
311 3HD1 LEU 48 3HD1 LEU 48 -0.705 5.049 3.803
312 1HD2 LEU 48 1HD2 LEU 48 0.944 2.620 1.538
313 2HD2 LEU 48 2HD2 LEU 48 -0.649 2.980 0.871
314 3HD2 LEU 48 3HD2 LEU 48 -0.460 2.704 2.603
315 H THR 49 H THR 49 2.083 6.711 0.499
316 HA THR 49 HA THR 49 1.658 6.633 -2.430
317 HB THR 49 HB THR 49 3.349 8.485 -2.725
318 HG1 THR 49 1HG THR 49 3.514 9.857 -0.852
319 1HG2 THR 49 1HG2 THR 49 1.708 10.146 -2.653
320 2HG2 THR 49 2HG2 THR 49 0.985 9.501 -1.179
321 3HG2 THR 49 3HG2 THR 49 0.747 8.669 -2.716
322 H LEU 50 H LEU 50 4.398 7.062 -3.089
323 HA LEU 50 HA LEU 50 5.601 4.606 -1.890
324 1HB LEU 50 2HB LEU 50 5.211 4.271 -4.230
325 2HB LEU 50 1HB LEU 50 5.844 5.866 -4.633
326 HG LEU 50 HG LEU 50 8.072 5.043 -3.627
327 1HD1 LEU 50 1HD1 LEU 50 8.277 2.890 -2.952
328 2HD1 LEU 50 2HD1 LEU 50 7.381 2.285 -4.345
329 3HD1 LEU 50 3HD1 LEU 50 6.515 2.862 -2.922
330 1HD2 LEU 50 1HD2 LEU 50 7.821 5.358 -6.010
331 2HD2 LEU 50 2HD2 LEU 50 6.903 3.859 -6.161
332 3HD2 LEU 50 3HD2 LEU 50 8.619 3.805 -5.757
333 H SER 51 H SER 51 7.906 4.660 -1.443
334 HA SER 51 HA SER 51 9.251 7.281 -1.642
335 1HB SER 51 2HB SER 51 8.576 7.806 0.465
336 2HB SER 51 1HB SER 51 8.199 6.133 0.867
337 HG SER 51 HG SER 51 10.179 7.370 1.790
338 H HIS 52 H HIS 52 9.419 3.843 -0.777
339 HA HIS 52 HA HIS 52 12.090 3.679 -1.919
340 1HB HIS 52 2HB HIS 52 12.958 4.425 0.119
341 2HB HIS 52 1HB HIS 52 11.663 3.689 1.056
342 HD1 HIS 52 1HD HIS 52 11.848 1.141 1.568
343 HD2 HIS 52 2HD HIS 52 15.132 2.686 -0.483
344 HE1 HIS 52 1HE HIS 52 13.654 -0.627 1.676
345 H PHE 53 H PHE 53 11.319 2.000 -3.193
346 HA PHE 53 HA PHE 53 9.632 -0.126 -2.466
347 1HB PHE 53 2HB PHE 53 11.550 0.428 -4.595
348 2HB PHE 53 1HB PHE 53 11.515 -1.283 -4.176
349 HD1 PHE 53 1HD PHE 53 8.608 0.930 -3.688
350 HD2 PHE 53 2HD PHE 53 10.447 -1.990 -6.245
351 HE1 PHE 53 1HE PHE 53 6.474 0.673 -4.928
352 HE2 PHE 53 2HE PHE 53 8.314 -2.249 -7.484
353 HZ PHE 53 HZ PHE 53 6.328 -0.919 -6.825
354 H GLY 54 H GLY 54 9.896 -1.782 -1.017
355 1HA GLY 54 2HA GLY 54 11.384 -3.680 -0.325
356 2HA GLY 54 1HA GLY 54 12.700 -2.508 -0.260
357 H LYS 55 H LYS 55 12.577 -3.728 2.013
358 HA LYS 55 HA LYS 55 10.581 -2.796 3.888
359 1HB LYS 55 2HB LYS 55 12.313 -4.826 3.981
360 2HB LYS 55 1HB LYS 55 13.302 -3.626 4.815
361 1HG LYS 55 2HG LYS 55 11.662 -3.312 6.520
362 2HG LYS 55 1HG LYS 55 10.431 -4.173 5.594
363 1HD LYS 55 2HD LYS 55 11.251 -5.667 7.317
364 2HD LYS 55 1HD LYS 55 11.853 -6.243 5.760
365 1HE LYS 55 2HE LYS 55 13.858 -4.549 6.440
366 2HE LYS 55 1HE LYS 55 13.336 -5.065 8.045
367 1HZ LYS 55 1HZ LYS 55 15.080 -6.453 6.778
368 2HZ LYS 55 2HZ LYS 55 13.747 -7.056 5.914
369 3HZ LYS 55 3HZ LYS 55 13.831 -7.254 7.599
370 H CYS 56 H CYS 56 10.672 -1.032 5.284
371 HA CYS 56 HA CYS 56 12.547 1.100 4.556
372 1HB CYS 56 2HB CYS 56 10.644 1.218 6.890
373 2HB CYS 56 1HB CYS 56 11.185 2.526 5.838
Start of MODEL 3
1 1H ALA 3 1HT ALA 3 2.235 9.428 -10.814
2 2H ALA 3 2HT ALA 3 1.051 10.184 -9.858
3 3H ALA 3 3HT ALA 3 1.403 8.536 -9.636
4 HA ALA 3 HA ALA 3 3.227 10.811 -9.078
5 1HB ALA 3 1HB ALA 3 1.204 9.469 -7.524
6 2HB ALA 3 2HB ALA 3 2.249 10.809 -7.050
7 3HB ALA 3 3HB ALA 3 2.791 9.145 -6.827
8 H VAL 4 H VAL 4 2.764 7.287 -8.565
9 HA VAL 4 HA VAL 4 5.629 6.922 -9.295
10 HB VAL 4 HB VAL 4 5.867 5.307 -7.404
11 1HG1 VAL 4 1HG1 VAL 4 5.896 7.067 -5.597
12 2HG1 VAL 4 2HG1 VAL 4 5.101 8.160 -6.729
13 3HG1 VAL 4 3HG1 VAL 4 6.716 7.548 -7.081
14 1HG2 VAL 4 1HG2 VAL 4 3.225 5.156 -7.303
15 2HG2 VAL 4 2HG2 VAL 4 3.403 6.503 -6.178
16 3HG2 VAL 4 3HG2 VAL 4 4.182 4.958 -5.834
17 H SER 5 H SER 5 3.186 6.411 -10.794
18 HA SER 5 HA SER 5 2.433 4.701 -12.226
19 1HB SER 5 2HB SER 5 5.008 3.957 -11.662
20 2HB SER 5 1HB SER 5 4.110 2.577 -11.036
21 HG SER 5 HG SER 5 4.527 3.400 -13.613
22 H VAL 6 H VAL 6 0.477 4.889 -10.842
23 HA VAL 6 HA VAL 6 -0.110 2.289 -9.567
24 HB VAL 6 HB VAL 6 0.646 3.513 -7.645
25 1HG1 VAL 6 1HG1 VAL 6 0.359 5.762 -7.322
26 2HG1 VAL 6 2HG1 VAL 6 -1.271 5.756 -7.996
27 3HG1 VAL 6 3HG1 VAL 6 0.127 5.755 -9.070
28 1HG2 VAL 6 1HG2 VAL 6 -2.028 2.663 -7.959
29 2HG2 VAL 6 2HG2 VAL 6 -2.113 4.195 -7.090
30 3HG2 VAL 6 3HG2 VAL 6 -1.150 2.867 -6.443
31 H ASP 7 H ASP 7 -1.785 1.794 -10.949
32 HA ASP 7 HA ASP 7 -3.886 3.875 -11.374
33 1HB ASP 7 2HB ASP 7 -3.272 1.323 -12.897
34 2HB ASP 7 1HB ASP 7 -4.625 2.397 -13.251
35 H CYS 8 H CYS 8 -4.780 3.442 -9.223
36 HA CYS 8 HA CYS 8 -6.572 1.066 -9.264
37 1HB CYS 8 2HB CYS 8 -5.006 1.847 -6.793
38 2HB CYS 8 1HB CYS 8 -5.991 0.405 -7.038
39 H SER 9 H SER 9 -7.403 3.632 -9.857
40 HA SER 9 HA SER 9 -8.362 4.978 -7.443
41 1HB SER 9 2HB SER 9 -9.608 5.616 -10.056
42 2HB SER 9 1HB SER 9 -8.945 6.697 -8.832
43 HG SER 9 HG SER 9 -7.764 5.579 -11.034
44 H GLU 10 H GLU 10 -9.200 2.138 -8.263
45 HA GLU 10 HA GLU 10 -11.947 2.365 -7.353
46 1HB GLU 10 2HB GLU 10 -12.876 1.137 -9.341
47 2HB GLU 10 1HB GLU 10 -12.336 2.772 -9.727
48 1HG GLU 10 2HG GLU 10 -10.086 1.056 -10.019
49 2HG GLU 10 1HG GLU 10 -11.437 0.289 -10.853
50 H TYR 11 H TYR 11 -9.402 1.162 -6.550
51 HA TYR 11 HA TYR 11 -10.168 -1.733 -6.664
52 1HB TYR 11 2HB TYR 11 -7.861 -0.635 -7.632
53 2HB TYR 11 1HB TYR 11 -7.375 -1.048 -5.989
54 HD1 TYR 11 1HD TYR 11 -7.609 -2.267 -9.259
55 HD2 TYR 11 2HD TYR 11 -8.270 -3.459 -5.186
56 HE1 TYR 11 1HE TYR 11 -7.395 -4.643 -9.922
57 HE2 TYR 11 2HE TYR 11 -8.058 -5.837 -5.849
58 HH TYR 11 HH TYR 11 -7.761 -6.783 -9.241
59 HA PRO 12 HA PRO 12 -10.135 -0.315 -2.230
60 1HB PRO 12 2HB PRO 12 -12.746 -0.982 -1.695
61 2HB PRO 12 1HB PRO 12 -12.251 0.616 -2.286
62 1HG PRO 12 2HG PRO 12 -13.601 -1.600 -3.765
63 2HG PRO 12 1HG PRO 12 -13.669 0.146 -4.053
64 1HD PRO 12 2HD PRO 12 -12.121 -1.703 -5.526
65 2HD PRO 12 1HD PRO 12 -11.936 0.062 -5.545
66 H LYS 13 H LYS 13 -8.863 -2.106 -1.560
67 HA LYS 13 HA LYS 13 -10.289 -4.427 -0.568
68 1HB LYS 13 2HB LYS 13 -9.151 -4.519 -3.245
69 2HB LYS 13 1HB LYS 13 -8.423 -5.733 -2.192
70 1HG LYS 13 2HG LYS 13 -10.403 -6.870 -1.897
71 2HG LYS 13 1HG LYS 13 -11.383 -5.411 -2.057
72 1HD LYS 13 2HD LYS 13 -11.816 -6.030 -4.178
73 2HD LYS 13 1HD LYS 13 -10.117 -5.723 -4.546
74 1HE LYS 13 2HE LYS 13 -10.304 -8.256 -3.226
75 2HE LYS 13 1HE LYS 13 -11.482 -8.228 -4.539
76 1HZ LYS 13 1HZ LYS 13 -9.691 -7.438 -6.012
77 2HZ LYS 13 2HZ LYS 13 -9.385 -8.983 -5.375
78 3HZ LYS 13 3HZ LYS 13 -8.583 -7.626 -4.742
79 H CYS 14 H CYS 14 -9.230 -3.997 1.389
80 HA CYS 14 HA CYS 14 -6.259 -3.992 1.368
81 1HB CYS 14 2HB CYS 14 -8.346 -3.193 3.389
82 2HB CYS 14 1HB CYS 14 -6.686 -3.507 3.895
83 H ALA 15 H ALA 15 -8.122 -6.371 0.992
84 HA ALA 15 HA ALA 15 -7.067 -8.020 3.255
85 1HB ALA 15 1HB ALA 15 -9.052 -9.562 2.245
86 2HB ALA 15 2HB ALA 15 -9.699 -7.964 1.874
87 3HB ALA 15 3HB ALA 15 -9.311 -8.393 3.540
88 H CYS 16 H CYS 16 -5.176 -7.836 1.519
89 HA CYS 16 HA CYS 16 -5.529 -10.036 -0.472
90 1HB CYS 16 2HB CYS 16 -3.266 -8.056 -0.539
91 2HB CYS 16 1HB CYS 16 -3.975 -8.978 -1.866
92 H THR 17 H THR 17 -3.782 -11.556 -0.681
93 HA THR 17 HA THR 17 -1.573 -11.515 1.229
94 HB THR 17 HB THR 17 -3.537 -12.348 2.586
95 HG1 THR 17 1HG THR 17 -1.163 -13.095 2.625
96 1HG2 THR 17 1HG2 THR 17 -4.915 -13.866 1.672
97 2HG2 THR 17 2HG2 THR 17 -3.583 -15.020 1.599
98 3HG2 THR 17 3HG2 THR 17 -3.895 -13.943 0.236
99 H MET 18 H MET 18 -2.100 -11.759 -1.698
100 HA MET 18 HA MET 18 -1.284 -14.527 -2.309
101 1HB MET 18 2HB MET 18 -2.612 -12.428 -3.717
102 2HB MET 18 1HB MET 18 -1.141 -12.826 -4.602
103 1HG MET 18 2HG MET 18 -1.768 -15.112 -4.825
104 2HG MET 18 1HG MET 18 -3.035 -14.962 -3.608
105 1HE MET 18 1HE MET 18 -4.221 -16.264 -6.385
106 2HE MET 18 2HE MET 18 -2.511 -15.896 -6.599
107 3HE MET 18 3HE MET 18 -3.690 -15.274 -7.752
108 H GLU 19 H GLU 19 -0.014 -11.557 -3.765
109 HA GLU 19 HA GLU 19 2.690 -12.690 -3.719
110 1HB GLU 19 2HB GLU 19 2.119 -11.444 -5.682
111 2HB GLU 19 1HB GLU 19 1.542 -10.076 -4.728
112 1HG GLU 19 2HG GLU 19 3.802 -9.620 -3.935
113 2HG GLU 19 1HG GLU 19 4.413 -11.054 -4.765
114 H TYR 20 H TYR 20 4.174 -12.320 -2.130
115 HA TYR 20 HA TYR 20 3.524 -10.230 -0.107
116 1HB TYR 20 2HB TYR 20 4.088 -12.765 0.422
117 2HB TYR 20 1HB TYR 20 5.748 -12.192 0.258
118 HD1 TYR 20 1HD TYR 20 2.724 -12.116 2.300
119 HD2 TYR 20 2HD TYR 20 6.601 -10.359 1.716
120 HE1 TYR 20 1HE TYR 20 2.622 -11.132 4.574
121 HE2 TYR 20 2HE TYR 20 6.497 -9.374 3.990
122 HH TYR 20 HH TYR 20 4.727 -10.329 6.325
123 H ARG 21 H ARG 21 4.524 -8.356 -0.477
124 HA ARG 21 HA ARG 21 7.412 -8.346 -1.108
125 1HB ARG 21 2HB ARG 21 5.822 -8.121 -3.210
126 2HB ARG 21 1HB ARG 21 5.642 -6.465 -2.630
127 1HG ARG 21 2HG ARG 21 7.496 -6.662 -4.264
128 2HG ARG 21 1HG ARG 21 8.075 -6.160 -2.677
129 1HD ARG 21 2HD ARG 21 9.394 -8.026 -3.873
130 2HD ARG 21 1HD ARG 21 8.951 -8.307 -2.191
131 HE ARG 21 HE ARG 21 6.952 -9.605 -3.195
132 1HH1 ARG 21 1HH1 ARG 21 10.099 -10.377 -3.560
133 2HH1 ARG 21 2HH1 ARG 21 9.936 -11.285 -5.027
134 1HH2 ARG 21 1HH2 ARG 21 6.679 -10.253 -5.620
135 2HH2 ARG 21 2HH2 ARG 21 8.002 -11.213 -6.194
136 HA PRO 22 HA PRO 22 6.744 -5.237 2.047
137 1HB PRO 22 2HB PRO 22 9.406 -4.929 2.649
138 2HB PRO 22 1HB PRO 22 8.409 -6.258 3.268
139 1HG PRO 22 2HG PRO 22 10.489 -6.309 1.130
140 2HG PRO 22 1HG PRO 22 9.948 -7.613 2.200
141 1HD PRO 22 2HD PRO 22 9.193 -7.275 -0.505
142 2HD PRO 22 1HD PRO 22 8.412 -8.356 0.670
143 H LEU 23 H LEU 23 6.534 -3.066 1.679
144 HA LEU 23 HA LEU 23 8.508 -1.730 -0.122
145 1HB LEU 23 2HB LEU 23 5.600 -0.972 -0.176
146 2HB LEU 23 1HB LEU 23 6.830 -0.700 -1.406
147 HG LEU 23 HG LEU 23 5.592 -3.365 -0.637
148 1HD1 LEU 23 1HD1 LEU 23 5.468 -2.653 -3.428
149 2HD1 LEU 23 2HD1 LEU 23 4.800 -1.342 -2.454
150 3HD1 LEU 23 3HD1 LEU 23 4.141 -2.971 -2.309
151 1HD2 LEU 23 1HD2 LEU 23 7.417 -4.350 -1.518
152 2HD2 LEU 23 2HD2 LEU 23 8.152 -2.768 -1.779
153 3HD2 LEU 23 3HD2 LEU 23 7.141 -3.488 -3.032
154 H CYS 24 H CYS 24 8.959 0.441 0.435
155 HA CYS 24 HA CYS 24 8.114 1.206 3.166
156 1HB CYS 24 2HB CYS 24 10.514 1.449 2.063
157 2HB CYS 24 1HB CYS 24 9.832 2.939 1.411
158 H GLY 25 H GLY 25 5.977 1.883 2.982
159 1HA GLY 25 2HA GLY 25 5.160 3.565 0.731
160 2HA GLY 25 1HA GLY 25 4.124 3.012 2.041
161 H SER 26 H SER 26 4.423 5.687 0.855
162 HA SER 26 HA SER 26 5.844 7.514 2.480
163 1HB SER 26 2HB SER 26 3.526 7.631 0.652
164 2HB SER 26 1HB SER 26 3.587 8.916 1.856
165 HG SER 26 HG SER 26 4.963 9.757 0.499
166 H ASP 27 H ASP 27 3.346 5.435 3.447
167 HA ASP 27 HA ASP 27 2.084 7.195 5.379
168 1HB ASP 27 2HB ASP 27 0.823 5.295 6.017
169 2HB ASP 27 1HB ASP 27 1.134 5.026 4.303
170 H ASN 28 H ASN 28 5.165 6.120 5.255
171 HA ASN 28 HA ASN 28 6.832 6.165 6.916
172 1HB ASN 28 2HB ASN 28 4.763 7.530 8.109
173 2HB ASN 28 1HB ASN 28 4.992 6.175 9.216
174 1HD2 ASN 28 1HD2 ASN 28 5.967 9.286 8.853
175 2HD2 ASN 28 2HD2 ASN 28 7.533 9.190 9.502
176 H LYS 29 H LYS 29 5.329 3.732 5.939
177 HA LYS 29 HA LYS 29 6.332 1.941 8.075
178 1HB LYS 29 2HB LYS 29 3.474 1.750 7.092
179 2HB LYS 29 1HB LYS 29 4.257 0.649 8.220
180 1HG LYS 29 2HG LYS 29 3.956 3.618 8.744
181 2HG LYS 29 1HG LYS 29 2.803 2.410 9.310
182 1HD LYS 29 2HD LYS 29 4.369 1.400 10.743
183 2HD LYS 29 1HD LYS 29 5.744 2.116 9.900
184 1HE LYS 29 2HE LYS 29 5.384 3.271 12.031
185 2HE LYS 29 1HE LYS 29 5.027 4.363 10.693
186 1HZ LYS 29 1HZ LYS 29 3.189 3.051 12.566
187 2HZ LYS 29 2HZ LYS 29 2.643 3.396 10.993
188 3HZ LYS 29 3HZ LYS 29 3.192 4.650 11.999
189 H THR 30 H THR 30 5.863 -0.439 7.332
190 HA THR 30 HA THR 30 6.882 -0.618 4.564
191 HB THR 30 HB THR 30 6.601 -2.631 6.813
192 HG1 THR 30 1HG THR 30 8.662 -2.253 7.051
193 1HG2 THR 30 1HG2 THR 30 6.198 -3.972 4.918
194 2HG2 THR 30 2HG2 THR 30 7.943 -4.093 5.142
195 3HG2 THR 30 3HG2 THR 30 7.284 -3.022 3.905
196 H TYR 31 H TYR 31 5.822 -2.171 3.063
197 HA TYR 31 HA TYR 31 2.871 -2.258 3.520
198 1HB TYR 31 2HB TYR 31 4.546 -1.507 1.226
199 2HB TYR 31 1HB TYR 31 3.238 -2.611 0.813
200 HD1 TYR 31 1HD TYR 31 4.084 0.763 1.159
201 HD2 TYR 31 2HD TYR 31 0.900 -1.985 2.032
202 HE1 TYR 31 1HE TYR 31 2.479 2.651 1.237
203 HE2 TYR 31 2HE TYR 31 -0.706 -0.094 2.112
204 HH TYR 31 HH TYR 31 0.209 3.145 1.143
205 H GLY 32 H GLY 32 1.744 -4.153 2.800
206 1HA GLY 32 2HA GLY 32 3.348 -6.609 3.019
207 2HA GLY 32 1HA GLY 32 1.586 -6.523 2.939
208 H ASN 33 H ASN 33 1.770 -4.718 0.530
209 HA ASN 33 HA ASN 33 3.168 -5.889 -1.604
210 1HB ASN 33 2HB ASN 33 1.207 -7.212 -2.630
211 2HB ASN 33 1HB ASN 33 2.104 -7.983 -1.323
212 1HD2 ASN 33 1HD2 ASN 33 0.683 -8.997 0.088
213 2HD2 ASN 33 2HD2 ASN 33 -0.829 -8.387 0.558
214 H LYS 34 H LYS 34 2.127 -5.344 -3.754
215 HA LYS 34 HA LYS 34 1.292 -2.631 -3.785
216 1HB LYS 34 2HB LYS 34 2.158 -4.442 -5.668
217 2HB LYS 34 1HB LYS 34 0.465 -4.226 -6.115
218 1HG LYS 34 2HG LYS 34 0.852 -1.727 -5.989
219 2HG LYS 34 1HG LYS 34 2.574 -2.075 -5.819
220 1HD LYS 34 2HD LYS 34 1.869 -3.641 -7.975
221 2HD LYS 34 1HD LYS 34 0.868 -2.207 -8.207
222 1HE LYS 34 2HE LYS 34 3.769 -1.883 -7.500
223 2HE LYS 34 1HE LYS 34 3.317 -2.251 -9.166
224 1HZ LYS 34 1HZ LYS 34 1.580 -0.313 -8.559
225 2HZ LYS 34 2HZ LYS 34 3.080 -0.041 -9.310
226 3HZ LYS 34 3HZ LYS 34 2.916 0.172 -7.632
227 H CYS 35 H CYS 35 -0.526 -5.508 -3.211
228 HA CYS 35 HA CYS 35 -3.068 -4.437 -4.165
229 1HB CYS 35 2HB CYS 35 -2.528 -6.898 -3.902
230 2HB CYS 35 1HB CYS 35 -2.607 -6.657 -2.158
231 H ASN 36 H ASN 36 -1.216 -4.449 -1.201
232 HA ASN 36 HA ASN 36 -3.378 -3.278 0.401
233 1HB ASN 36 2HB ASN 36 -1.022 -4.674 0.967
234 2HB ASN 36 1HB ASN 36 -0.661 -3.020 1.453
235 1HD2 ASN 36 1HD2 ASN 36 -3.601 -5.119 1.646
236 2HD2 ASN 36 2HD2 ASN 36 -3.892 -4.801 3.288
237 H PHE 37 H PHE 37 -0.902 -2.270 -1.742
238 HA PHE 37 HA PHE 37 -0.611 0.427 -0.664
239 1HB PHE 37 2HB PHE 37 1.211 -0.747 -1.910
240 2HB PHE 37 1HB PHE 37 0.211 -0.698 -3.359
241 HD1 PHE 37 1HD PHE 37 -0.471 1.536 -4.322
242 HD2 PHE 37 2HD PHE 37 2.434 1.163 -1.182
243 HE1 PHE 37 1HE PHE 37 0.342 3.830 -4.804
244 HE2 PHE 37 2HE PHE 37 3.247 3.455 -1.660
245 HZ PHE 37 HZ PHE 37 2.203 4.789 -3.472
246 H CYS 38 H CYS 38 -2.270 -1.089 -3.424
247 HA CYS 38 HA CYS 38 -3.381 1.411 -4.381
248 1HB CYS 38 2HB CYS 38 -3.947 -1.502 -4.933
249 2HB CYS 38 1HB CYS 38 -4.975 -0.235 -5.603
250 H CYS 39 H CYS 39 -4.249 -0.904 -1.933
251 HA CYS 39 HA CYS 39 -7.031 0.040 -1.776
252 1HB CYS 39 2HB CYS 39 -6.567 -2.297 -1.215
253 2HB CYS 39 1HB CYS 39 -5.435 -1.792 0.041
254 H ALA 40 H ALA 40 -3.984 0.487 -0.052
255 HA ALA 40 HA ALA 40 -5.150 2.112 2.056
256 1HB ALA 40 1HB ALA 40 -2.814 0.829 1.898
257 2HB ALA 40 2HB ALA 40 -2.995 2.276 2.889
258 3HB ALA 40 3HB ALA 40 -2.273 2.391 1.285
259 H VAL 41 H VAL 41 -4.190 2.644 -1.206
260 HA VAL 41 HA VAL 41 -3.784 5.527 -0.916
261 HB VAL 41 HB VAL 41 -3.961 3.634 -3.263
262 1HG1 VAL 41 1HG1 VAL 41 -4.999 5.553 -4.176
263 2HG1 VAL 41 2HG1 VAL 41 -3.298 5.760 -4.593
264 3HG1 VAL 41 3HG1 VAL 41 -3.987 6.653 -3.238
265 1HG2 VAL 41 1HG2 VAL 41 -1.716 5.533 -2.810
266 2HG2 VAL 41 2HG2 VAL 41 -1.678 3.855 -3.348
267 3HG2 VAL 41 3HG2 VAL 41 -1.888 4.227 -1.637
268 H VAL 42 H VAL 42 -6.370 3.351 -1.963
269 HA VAL 42 HA VAL 42 -8.141 5.596 -2.647
270 HB VAL 42 HB VAL 42 -8.699 2.622 -2.428
271 1HG1 VAL 42 1HG1 VAL 42 -10.330 4.989 -3.329
272 2HG1 VAL 42 2HG1 VAL 42 -10.800 3.670 -2.257
273 3HG1 VAL 42 3HG1 VAL 42 -10.638 3.384 -3.990
274 1HG2 VAL 42 1HG2 VAL 42 -8.304 4.329 -4.902
275 2HG2 VAL 42 2HG2 VAL 42 -8.446 2.572 -4.826
276 3HG2 VAL 42 3HG2 VAL 42 -7.015 3.371 -4.173
277 H GLU 43 H GLU 43 -7.212 4.006 0.190
278 HA GLU 43 HA GLU 43 -9.813 4.467 1.539
279 1HB GLU 43 2HB GLU 43 -7.304 2.973 2.195
280 2HB GLU 43 1HB GLU 43 -8.294 3.562 3.531
281 1HG GLU 43 2HG GLU 43 -9.529 2.043 1.235
282 2HG GLU 43 1HG GLU 43 -8.808 1.196 2.603
283 H SER 44 H SER 44 -6.643 5.871 1.208
284 HA SER 44 HA SER 44 -7.110 7.672 3.519
285 1HB SER 44 2HB SER 44 -4.788 8.527 2.841
286 2HB SER 44 1HB SER 44 -4.868 6.872 3.439
287 HG SER 44 HG SER 44 -4.070 7.782 1.042
288 H ASN 45 H ASN 45 -8.183 7.602 0.458
289 HA ASN 45 HA ASN 45 -9.120 9.294 -0.889
290 1HB ASN 45 2HB ASN 45 -9.272 10.387 1.554
291 2HB ASN 45 1HB ASN 45 -8.062 11.467 0.864
292 1HD2 ASN 45 1HD2 ASN 45 -8.826 13.120 -0.491
293 2HD2 ASN 45 2HD2 ASN 45 -10.407 13.206 -1.102
294 H GLY 46 H GLY 46 -6.047 8.566 -0.547
295 1HA GLY 46 2HA GLY 46 -4.473 8.979 -2.375
296 2HA GLY 46 1HA GLY 46 -5.169 10.589 -2.552
297 H THR 47 H THR 47 -4.867 9.847 0.709
298 HA THR 47 HA THR 47 -2.607 11.704 0.965
299 HB THR 47 HB THR 47 -3.787 10.308 3.327
300 HG1 THR 47 1HG THR 47 -5.177 12.472 2.271
301 1HG2 THR 47 1HG2 THR 47 -2.143 12.002 3.733
302 2HG2 THR 47 2HG2 THR 47 -3.709 12.700 4.152
303 3HG2 THR 47 3HG2 THR 47 -2.937 13.120 2.623
304 H LEU 48 H LEU 48 -2.481 8.709 0.031
305 HA LEU 48 HA LEU 48 -0.155 8.057 1.783
306 1HB LEU 48 2HB LEU 48 -2.466 6.654 1.962
307 2HB LEU 48 1HB LEU 48 -1.673 5.767 0.659
308 HG LEU 48 HG LEU 48 0.313 5.438 2.036
309 1HD1 LEU 48 1HD1 LEU 48 -0.557 6.249 4.603
310 2HD1 LEU 48 2HD1 LEU 48 -0.867 7.611 3.527
311 3HD1 LEU 48 3HD1 LEU 48 0.758 6.940 3.654
312 1HD2 LEU 48 1HD2 LEU 48 -1.984 4.094 2.330
313 2HD2 LEU 48 2HD2 LEU 48 -1.877 4.765 3.957
314 3HD2 LEU 48 3HD2 LEU 48 -0.578 3.746 3.337
315 H THR 49 H THR 49 1.572 6.961 0.700
316 HA THR 49 HA THR 49 1.286 6.479 -2.204
317 HB THR 49 HB THR 49 2.669 8.148 -2.945
318 HG1 THR 49 1HG THR 49 4.504 8.653 -1.958
319 1HG2 THR 49 1HG2 THR 49 2.293 10.228 -1.753
320 2HG2 THR 49 2HG2 THR 49 1.922 9.355 -0.267
321 3HG2 THR 49 3HG2 THR 49 0.829 9.253 -1.648
322 H LEU 50 H LEU 50 4.106 6.449 -2.647
323 HA LEU 50 HA LEU 50 4.912 4.041 -1.056
324 1HB LEU 50 2HB LEU 50 4.423 3.777 -3.562
325 2HB LEU 50 1HB LEU 50 5.839 4.785 -3.848
326 HG LEU 50 HG LEU 50 7.308 3.188 -2.892
327 1HD1 LEU 50 1HD1 LEU 50 6.016 1.006 -1.964
328 2HD1 LEU 50 2HD1 LEU 50 4.810 2.235 -1.574
329 3HD1 LEU 50 3HD1 LEU 50 6.445 2.364 -0.924
330 1HD2 LEU 50 1HD2 LEU 50 7.007 1.318 -4.307
331 2HD2 LEU 50 2HD2 LEU 50 6.136 2.610 -5.133
332 3HD2 LEU 50 3HD2 LEU 50 5.249 1.408 -4.197
333 H SER 51 H SER 51 7.510 3.863 -1.221
334 HA SER 51 HA SER 51 8.738 6.554 -1.160
335 1HB SER 51 2HB SER 51 7.883 5.905 1.173
336 2HB SER 51 1HB SER 51 9.137 4.669 1.164
337 HG SER 51 HG SER 51 10.550 6.169 1.537
338 H HIS 52 H HIS 52 9.197 3.027 -1.024
339 HA HIS 52 HA HIS 52 11.227 2.892 -2.903
340 1HB HIS 52 2HB HIS 52 13.021 3.903 -1.971
341 2HB HIS 52 1HB HIS 52 12.155 4.139 -0.458
342 HD1 HIS 52 1HD HIS 52 12.336 2.178 1.324
343 HD2 HIS 52 2HD HIS 52 14.885 1.798 -1.953
344 HE1 HIS 52 1HE HIS 52 14.040 0.410 1.943
345 H PHE 53 H PHE 53 10.777 0.796 -3.365
346 HA PHE 53 HA PHE 53 9.746 -1.191 -1.740
347 1HB PHE 53 2HB PHE 53 11.898 -1.695 -3.814
348 2HB PHE 53 1HB PHE 53 10.628 -2.799 -3.303
349 HD1 PHE 53 1HD PHE 53 11.529 -0.176 -5.584
350 HD2 PHE 53 2HD PHE 53 8.187 -2.107 -3.702
351 HE1 PHE 53 1HE PHE 53 10.017 0.742 -7.324
352 HE2 PHE 53 2HE PHE 53 6.675 -1.190 -5.440
353 HZ PHE 53 HZ PHE 53 7.592 0.233 -7.252
354 H GLY 54 H GLY 54 10.561 -2.550 -0.151
355 1HA GLY 54 2HA GLY 54 12.606 -3.752 0.719
356 2HA GLY 54 1HA GLY 54 13.458 -2.220 0.520
357 H LYS 55 H LYS 55 12.318 -4.084 2.895
358 HA LYS 55 HA LYS 55 10.586 -2.665 4.527
359 1HB LYS 55 2HB LYS 55 11.605 -3.727 6.421
360 2HB LYS 55 1HB LYS 55 11.775 -4.853 5.075
361 1HG LYS 55 2HG LYS 55 13.978 -4.888 5.583
362 2HG LYS 55 1HG LYS 55 14.046 -3.280 4.858
363 1HD LYS 55 2HD LYS 55 14.734 -2.539 6.879
364 2HD LYS 55 1HD LYS 55 13.077 -2.803 7.425
365 1HE LYS 55 2HE LYS 55 13.773 -5.232 7.870
366 2HE LYS 55 1HE LYS 55 15.436 -4.678 7.666
367 1HZ LYS 55 1HZ LYS 55 14.052 -4.603 9.978
368 2HZ LYS 55 2HZ LYS 55 13.853 -3.016 9.404
369 3HZ LYS 55 3HZ LYS 55 15.413 -3.651 9.631
370 H CYS 56 H CYS 56 10.679 -0.775 5.735
371 HA CYS 56 HA CYS 56 12.818 1.097 5.086
372 1HB CYS 56 2HB CYS 56 10.813 1.533 7.293
373 2HB CYS 56 1HB CYS 56 11.541 2.720 6.212
Start of MODEL 4
1 1H ALA 3 1HT ALA 3 11.242 5.342 -8.741
2 2H ALA 3 2HT ALA 3 10.378 6.702 -8.201
3 3H ALA 3 3HT ALA 3 11.399 6.821 -9.555
4 HA ALA 3 HA ALA 3 9.322 6.691 -10.524
5 1HB ALA 3 1HB ALA 3 10.780 4.090 -10.363
6 2HB ALA 3 2HB ALA 3 10.433 5.097 -11.767
7 3HB ALA 3 3HB ALA 3 9.170 4.076 -11.082
8 H VAL 4 H VAL 4 7.395 7.040 -9.509
9 HA VAL 4 HA VAL 4 6.371 4.862 -7.729
10 HB VAL 4 HB VAL 4 5.462 7.734 -7.579
11 1HG1 VAL 4 1HG1 VAL 4 5.605 5.525 -5.506
12 2HG1 VAL 4 2HG1 VAL 4 4.169 5.896 -6.462
13 3HG1 VAL 4 3HG1 VAL 4 4.808 7.089 -5.330
14 1HG2 VAL 4 1HG2 VAL 4 7.834 6.449 -6.188
15 2HG2 VAL 4 2HG2 VAL 4 7.120 7.990 -5.710
16 3HG2 VAL 4 3HG2 VAL 4 7.877 7.822 -7.294
17 H SER 5 H SER 5 4.586 3.863 -8.512
18 HA SER 5 HA SER 5 2.682 5.413 -10.181
19 1HB SER 5 2HB SER 5 3.957 4.424 -11.914
20 2HB SER 5 1HB SER 5 4.160 2.919 -11.022
21 HG SER 5 HG SER 5 2.463 2.298 -12.091
22 H VAL 6 H VAL 6 0.775 5.132 -9.142
23 HA VAL 6 HA VAL 6 0.037 2.379 -8.284
24 HB VAL 6 HB VAL 6 0.871 3.478 -6.268
25 1HG1 VAL 6 1HG1 VAL 6 0.727 5.728 -6.192
26 2HG1 VAL 6 2HG1 VAL 6 -0.976 5.527 -5.780
27 3HG1 VAL 6 3HG1 VAL 6 -0.496 5.752 -7.462
28 1HG2 VAL 6 1HG2 VAL 6 -1.579 3.736 -5.149
29 2HG2 VAL 6 2HG2 VAL 6 -0.861 2.169 -5.521
30 3HG2 VAL 6 3HG2 VAL 6 -2.023 2.894 -6.633
31 H ASP 7 H ASP 7 -1.343 2.477 -10.194
32 HA ASP 7 HA ASP 7 -3.540 4.471 -10.105
33 1HB ASP 7 2HB ASP 7 -4.184 3.367 -12.303
34 2HB ASP 7 1HB ASP 7 -2.605 4.154 -12.302
35 H CYS 8 H CYS 8 -4.654 3.618 -8.243
36 HA CYS 8 HA CYS 8 -6.141 1.099 -8.849
37 1HB CYS 8 2HB CYS 8 -4.862 1.892 -6.218
38 2HB CYS 8 1HB CYS 8 -6.026 0.578 -6.386
39 H SER 9 H SER 9 -7.361 3.411 -9.487
40 HA SER 9 HA SER 9 -8.825 4.520 -7.208
41 1HB SER 9 2HB SER 9 -10.021 5.837 -8.916
42 2HB SER 9 1HB SER 9 -8.280 5.925 -9.160
43 HG SER 9 HG SER 9 -9.200 5.470 -11.125
44 H GLU 10 H GLU 10 -9.056 1.583 -7.991
45 HA GLU 10 HA GLU 10 -11.906 1.359 -7.513
46 1HB GLU 10 2HB GLU 10 -10.828 1.101 -10.239
47 2HB GLU 10 1HB GLU 10 -11.746 -0.311 -9.712
48 1HG GLU 10 2HG GLU 10 -12.716 2.559 -9.613
49 2HG GLU 10 1HG GLU 10 -13.227 1.343 -10.784
50 H TYR 11 H TYR 11 -9.216 0.547 -6.435
51 HA TYR 11 HA TYR 11 -9.707 -2.411 -6.410
52 1HB TYR 11 2HB TYR 11 -7.332 -0.941 -7.090
53 2HB TYR 11 1HB TYR 11 -7.028 -1.890 -5.634
54 HD1 TYR 11 1HD TYR 11 -6.747 -4.236 -5.743
55 HD2 TYR 11 2HD TYR 11 -8.352 -2.116 -9.117
56 HE1 TYR 11 1HE TYR 11 -6.581 -6.295 -7.115
57 HE2 TYR 11 2HE TYR 11 -8.186 -4.176 -10.490
58 HH TYR 11 HH TYR 11 -7.146 -7.256 -9.059
59 HA PRO 12 HA PRO 12 -9.931 -0.697 -2.082
60 1HB PRO 12 2HB PRO 12 -12.515 -1.494 -1.599
61 2HB PRO 12 1HB PRO 12 -12.095 0.093 -2.271
62 1HG PRO 12 2HG PRO 12 -13.236 -2.295 -3.658
63 2HG PRO 12 1HG PRO 12 -13.419 -0.578 -4.049
64 1HD PRO 12 2HD PRO 12 -11.698 -2.376 -5.371
65 2HD PRO 12 1HD PRO 12 -11.615 -0.603 -5.460
66 H LYS 13 H LYS 13 -8.642 -2.316 -1.146
67 HA LYS 13 HA LYS 13 -9.964 -4.700 -0.149
68 1HB LYS 13 2HB LYS 13 -8.797 -4.892 -2.714
69 2HB LYS 13 1HB LYS 13 -7.674 -5.689 -1.612
70 1HG LYS 13 2HG LYS 13 -10.025 -6.668 -0.676
71 2HG LYS 13 1HG LYS 13 -10.435 -6.455 -2.379
72 1HD LYS 13 2HD LYS 13 -8.843 -7.984 -3.099
73 2HD LYS 13 1HD LYS 13 -7.823 -7.746 -1.679
74 1HE LYS 13 2HE LYS 13 -8.726 -9.671 -0.905
75 2HE LYS 13 1HE LYS 13 -10.176 -8.717 -0.591
76 1HZ LYS 13 1HZ LYS 13 -10.343 -10.827 -2.037
77 2HZ LYS 13 2HZ LYS 13 -9.702 -9.847 -3.269
78 3HZ LYS 13 3HZ LYS 13 -11.171 -9.430 -2.524
79 H CYS 14 H CYS 14 -9.190 -4.037 1.870
80 HA CYS 14 HA CYS 14 -6.298 -3.543 2.201
81 1HB CYS 14 2HB CYS 14 -8.650 -3.397 4.103
82 2HB CYS 14 1HB CYS 14 -6.981 -3.097 4.595
83 H ALA 15 H ALA 15 -7.192 -6.238 1.465
84 HA ALA 15 HA ALA 15 -5.901 -7.680 3.704
85 1HB ALA 15 1HB ALA 15 -7.758 -9.493 3.371
86 2HB ALA 15 2HB ALA 15 -8.710 -8.153 2.732
87 3HB ALA 15 3HB ALA 15 -8.107 -8.095 4.388
88 H CYS 16 H CYS 16 -4.298 -7.542 1.805
89 HA CYS 16 HA CYS 16 -4.851 -9.768 -0.120
90 1HB CYS 16 2HB CYS 16 -2.886 -7.517 -0.563
91 2HB CYS 16 1HB CYS 16 -3.512 -8.660 -1.749
92 H THR 17 H THR 17 -3.121 -11.210 -0.557
93 HA THR 17 HA THR 17 -0.560 -10.942 0.823
94 HB THR 17 HB THR 17 -2.134 -13.374 1.614
95 HG1 THR 17 1HG THR 17 -2.870 -12.243 3.421
96 1HG2 THR 17 1HG2 THR 17 -0.458 -12.153 3.620
97 2HG2 THR 17 2HG2 THR 17 0.441 -12.325 2.113
98 3HG2 THR 17 3HG2 THR 17 -0.301 -13.738 2.864
99 H MET 18 H MET 18 -1.714 -11.414 -1.897
100 HA MET 18 HA MET 18 -1.002 -14.178 -2.553
101 1HB MET 18 2HB MET 18 -1.370 -12.030 -4.616
102 2HB MET 18 1HB MET 18 -1.830 -13.731 -4.685
103 1HG MET 18 2HG MET 18 -3.371 -12.998 -2.622
104 2HG MET 18 1HG MET 18 -3.254 -11.432 -3.425
105 1HE MET 18 1HE MET 18 -4.866 -14.420 -2.882
106 2HE MET 18 2HE MET 18 -4.248 -15.364 -4.235
107 3HE MET 18 3HE MET 18 -5.921 -14.813 -4.246
108 H GLU 19 H GLU 19 0.173 -11.153 -4.035
109 HA GLU 19 HA GLU 19 2.743 -12.446 -4.599
110 1HB GLU 19 2HB GLU 19 3.274 -10.479 -5.854
111 2HB GLU 19 1HB GLU 19 1.571 -10.810 -6.159
112 1HG GLU 19 2HG GLU 19 1.864 -9.140 -3.805
113 2HG GLU 19 1HG GLU 19 2.678 -8.409 -5.188
114 H TYR 20 H TYR 20 4.786 -11.677 -3.799
115 HA TYR 20 HA TYR 20 4.570 -10.457 -1.093
116 1HB TYR 20 2HB TYR 20 5.910 -12.668 -1.785
117 2HB TYR 20 1HB TYR 20 7.154 -11.478 -2.166
118 HD1 TYR 20 1HD TYR 20 8.579 -10.755 -0.472
119 HD2 TYR 20 2HD TYR 20 4.705 -12.303 0.554
120 HE1 TYR 20 1HE TYR 20 9.132 -10.543 1.936
121 HE2 TYR 20 2HE TYR 20 5.257 -12.092 2.962
122 HH TYR 20 HH TYR 20 6.717 -11.105 4.431
123 H ARG 21 H ARG 21 4.794 -8.289 -1.140
124 HA ARG 21 HA ARG 21 7.116 -7.105 -2.509
125 1HB ARG 21 2HB ARG 21 5.099 -7.132 -4.108
126 2HB ARG 21 1HB ARG 21 4.372 -5.953 -3.018
127 1HG ARG 21 2HG ARG 21 5.565 -4.833 -4.867
128 2HG ARG 21 1HG ARG 21 6.310 -4.467 -3.310
129 1HD ARG 21 2HD ARG 21 7.876 -5.136 -5.263
130 2HD ARG 21 1HD ARG 21 8.128 -5.921 -3.704
131 HE ARG 21 HE ARG 21 6.718 -7.830 -4.676
132 1HH1 ARG 21 1HH1 ARG 21 6.887 -5.706 -7.156
133 2HH1 ARG 21 2HH1 ARG 21 7.756 -6.723 -8.257
134 1HH2 ARG 21 1HH2 ARG 21 8.535 -9.104 -5.861
135 2HH2 ARG 21 2HH2 ARG 21 8.686 -8.646 -7.524
136 HA PRO 22 HA PRO 22 6.352 -5.110 1.503
137 1HB PRO 22 2HB PRO 22 9.030 -4.745 2.029
138 2HB PRO 22 1HB PRO 22 8.149 -6.233 2.416
139 1HG PRO 22 2HG PRO 22 10.090 -5.721 0.206
140 2HG PRO 22 1HG PRO 22 9.699 -7.242 1.027
141 1HD PRO 22 2HD PRO 22 8.757 -6.460 -1.516
142 2HD PRO 22 1HD PRO 22 8.094 -7.777 -0.523
143 H LEU 23 H LEU 23 5.574 -3.092 0.854
144 HA LEU 23 HA LEU 23 7.469 -1.267 -0.549
145 1HB LEU 23 2HB LEU 23 4.456 -1.270 -0.266
146 2HB LEU 23 1HB LEU 23 5.350 0.096 -0.934
147 HG LEU 23 HG LEU 23 5.670 -2.715 -1.998
148 1HD1 LEU 23 1HD1 LEU 23 4.205 -1.402 -3.891
149 2HD1 LEU 23 2HD1 LEU 23 3.505 -0.742 -2.413
150 3HD1 LEU 23 3HD1 LEU 23 3.508 -2.484 -2.686
151 1HD2 LEU 23 1HD2 LEU 23 6.007 -0.373 -3.745
152 2HD2 LEU 23 2HD2 LEU 23 7.071 -1.762 -3.511
153 3HD2 LEU 23 3HD2 LEU 23 7.132 -0.404 -2.387
154 H CYS 24 H CYS 24 8.178 0.575 0.447
155 HA CYS 24 HA CYS 24 7.304 1.018 3.254
156 1HB CYS 24 2HB CYS 24 9.718 0.859 2.918
157 2HB CYS 24 1HB CYS 24 9.656 2.103 1.669
158 H GLY 25 H GLY 25 5.227 1.924 2.466
159 1HA GLY 25 2HA GLY 25 4.796 4.031 0.734
160 2HA GLY 25 1HA GLY 25 3.894 3.855 2.238
161 H SER 26 H SER 26 4.868 6.319 0.878
162 HA SER 26 HA SER 26 7.095 7.519 2.068
163 1HB SER 26 2HB SER 26 5.225 8.415 0.375
164 2HB SER 26 1HB SER 26 4.620 9.167 1.849
165 HG SER 26 HG SER 26 6.073 10.603 1.174
166 H ASP 27 H ASP 27 4.146 6.553 3.571
167 HA ASP 27 HA ASP 27 4.519 8.315 5.901
168 1HB ASP 27 2HB ASP 27 2.480 7.297 6.747
169 2HB ASP 27 1HB ASP 27 2.244 7.711 5.052
170 H ASN 28 H ASN 28 6.530 6.236 5.113
171 HA ASN 28 HA ASN 28 7.883 4.630 6.149
172 1HB ASN 28 2HB ASN 28 7.656 6.625 7.879
173 2HB ASN 28 1HB ASN 28 6.753 5.425 8.806
174 1HD2 ASN 28 1HD2 ASN 28 8.465 5.215 10.418
175 2HD2 ASN 28 2HD2 ASN 28 9.931 4.440 10.054
176 H LYS 29 H LYS 29 5.298 3.703 5.282
177 HA LYS 29 HA LYS 29 4.638 1.769 7.469
178 1HB LYS 29 2HB LYS 29 3.009 3.187 5.471
179 2HB LYS 29 1HB LYS 29 2.630 1.473 5.627
180 1HG LYS 29 2HG LYS 29 3.022 2.958 8.169
181 2HG LYS 29 1HG LYS 29 1.571 3.361 7.250
182 1HD LYS 29 2HD LYS 29 1.037 0.916 7.122
183 2HD LYS 29 1HD LYS 29 2.413 0.602 8.180
184 1HE LYS 29 2HE LYS 29 0.990 0.905 9.910
185 2HE LYS 29 1HE LYS 29 1.016 2.620 9.497
186 1HZ LYS 29 1HZ LYS 29 -1.232 1.459 9.606
187 2HZ LYS 29 2HZ LYS 29 -0.803 0.737 8.129
188 3HZ LYS 29 3HZ LYS 29 -0.919 2.429 8.251
189 H THR 30 H THR 30 4.696 -0.431 7.049
190 HA THR 30 HA THR 30 5.981 -1.212 4.471
191 HB THR 30 HB THR 30 5.766 -2.795 7.052
192 HG1 THR 30 1HG THR 30 7.438 -0.788 6.257
193 1HG2 THR 30 1HG2 THR 30 7.522 -4.181 6.019
194 2HG2 THR 30 2HG2 THR 30 7.468 -3.174 4.571
195 3HG2 THR 30 3HG2 THR 30 6.070 -4.152 5.017
196 H TYR 31 H TYR 31 4.441 -1.855 3.020
197 HA TYR 31 HA TYR 31 2.000 -3.196 4.017
198 1HB TYR 31 2HB TYR 31 2.801 -2.037 1.341
199 2HB TYR 31 1HB TYR 31 1.310 -2.940 1.587
200 HD1 TYR 31 1HD TYR 31 2.324 0.242 1.202
201 HD2 TYR 31 2HD TYR 31 0.316 -2.150 4.149
202 HE1 TYR 31 1HE TYR 31 1.248 2.279 2.120
203 HE2 TYR 31 2HE TYR 31 -0.764 -0.115 5.066
204 HH TYR 31 HH TYR 31 0.237 3.040 4.201
205 H GLY 32 H GLY 32 1.361 -5.259 3.212
206 1HA GLY 32 2HA GLY 32 3.514 -7.125 2.804
207 2HA GLY 32 1HA GLY 32 1.796 -7.498 2.655
208 H ASN 33 H ASN 33 1.477 -5.275 0.634
209 HA ASN 33 HA ASN 33 3.172 -5.868 -1.609
210 1HB ASN 33 2HB ASN 33 1.394 -7.041 -2.975
211 2HB ASN 33 1HB ASN 33 2.075 -8.010 -1.668
212 1HD2 ASN 33 1HD2 ASN 33 0.095 -9.297 -1.473
213 2HD2 ASN 33 2HD2 ASN 33 -1.316 -8.641 -0.796
214 H LYS 34 H LYS 34 2.194 -4.906 -3.654
215 HA LYS 34 HA LYS 34 1.298 -2.262 -3.167
216 1HB LYS 34 2HB LYS 34 2.430 -3.164 -5.271
217 2HB LYS 34 1HB LYS 34 0.847 -3.783 -5.743
218 1HG LYS 34 2HG LYS 34 0.434 -1.747 -6.624
219 2HG LYS 34 1HG LYS 34 0.351 -1.145 -4.969
220 1HD LYS 34 2HD LYS 34 3.071 -1.266 -5.410
221 2HD LYS 34 1HD LYS 34 2.453 -0.773 -6.988
222 1HE LYS 34 2HE LYS 34 1.048 0.960 -5.714
223 2HE LYS 34 1HE LYS 34 2.077 0.605 -4.327
224 1HZ LYS 34 1HZ LYS 34 2.871 1.711 -6.954
225 2HZ LYS 34 2HZ LYS 34 4.001 1.047 -5.873
226 3HZ LYS 34 3HZ LYS 34 3.080 2.400 -5.418
227 H CYS 35 H CYS 35 -0.466 -5.204 -3.147
228 HA CYS 35 HA CYS 35 -3.011 -4.137 -4.010
229 1HB CYS 35 2HB CYS 35 -2.474 -6.585 -3.901
230 2HB CYS 35 1HB CYS 35 -2.480 -6.465 -2.142
231 H ASN 36 H ASN 36 -1.308 -4.391 -0.934
232 HA ASN 36 HA ASN 36 -3.539 -3.310 0.611
233 1HB ASN 36 2HB ASN 36 -1.220 -4.695 1.240
234 2HB ASN 36 1HB ASN 36 -0.853 -3.054 1.770
235 1HD2 ASN 36 1HD2 ASN 36 -3.475 -5.514 2.008
236 2HD2 ASN 36 2HD2 ASN 36 -3.968 -5.056 3.566
237 H PHE 37 H PHE 37 -0.776 -2.145 -1.151
238 HA PHE 37 HA PHE 37 -0.722 0.518 -0.018
239 1HB PHE 37 2HB PHE 37 1.165 -0.580 -1.312
240 2HB PHE 37 1HB PHE 37 0.208 -0.346 -2.775
241 HD1 PHE 37 1HD PHE 37 -0.540 2.028 -3.367
242 HD2 PHE 37 2HD PHE 37 2.455 1.191 -0.404
243 HE1 PHE 37 1HE PHE 37 0.267 4.369 -3.520
244 HE2 PHE 37 2HE PHE 37 3.261 3.532 -0.556
245 HZ PHE 37 HZ PHE 37 2.168 5.120 -2.114
246 H CYS 38 H CYS 38 -2.494 -1.088 -2.574
247 HA CYS 38 HA CYS 38 -3.605 1.399 -3.648
248 1HB CYS 38 2HB CYS 38 -4.199 -1.535 -4.111
249 2HB CYS 38 1HB CYS 38 -5.138 -0.249 -4.872
250 H CYS 39 H CYS 39 -4.308 -0.823 -1.097
251 HA CYS 39 HA CYS 39 -7.134 -0.168 -0.883
252 1HB CYS 39 2HB CYS 39 -7.091 -1.985 0.455
253 2HB CYS 39 1HB CYS 39 -5.346 -2.062 0.276
254 H ALA 40 H ALA 40 -4.200 0.756 0.895
255 HA ALA 40 HA ALA 40 -5.494 2.660 2.605
256 1HB ALA 40 1HB ALA 40 -3.189 1.751 2.984
257 2HB ALA 40 2HB ALA 40 -3.248 3.513 3.044
258 3HB ALA 40 3HB ALA 40 -2.628 2.698 1.607
259 H VAL 41 H VAL 41 -4.392 2.739 -0.688
260 HA VAL 41 HA VAL 41 -4.442 5.643 -0.941
261 HB VAL 41 HB VAL 41 -4.407 3.391 -2.966
262 1HG1 VAL 41 1HG1 VAL 41 -3.591 5.873 -4.101
263 2HG1 VAL 41 2HG1 VAL 41 -5.150 6.141 -3.322
264 3HG1 VAL 41 3HG1 VAL 41 -4.984 4.885 -4.548
265 1HG2 VAL 41 1HG2 VAL 41 -2.106 3.822 -3.143
266 2HG2 VAL 41 2HG2 VAL 41 -2.393 4.045 -1.416
267 3HG2 VAL 41 3HG2 VAL 41 -2.263 5.448 -2.477
268 H VAL 42 H VAL 42 -6.726 3.007 -1.395
269 HA VAL 42 HA VAL 42 -8.713 4.638 -2.757
270 HB VAL 42 HB VAL 42 -8.916 1.965 -1.337
271 1HG1 VAL 42 1HG1 VAL 42 -10.943 3.658 -2.781
272 2HG1 VAL 42 2HG1 VAL 42 -11.126 2.745 -1.282
273 3HG1 VAL 42 3HG1 VAL 42 -11.069 1.900 -2.828
274 1HG2 VAL 42 1HG2 VAL 42 -9.355 2.112 -4.227
275 2HG2 VAL 42 2HG2 VAL 42 -8.291 1.046 -3.309
276 3HG2 VAL 42 3HG2 VAL 42 -7.746 2.662 -3.761
277 H GLU 43 H GLU 43 -7.706 4.297 0.501
278 HA GLU 43 HA GLU 43 -10.303 5.350 1.514
279 1HB GLU 43 2HB GLU 43 -8.400 5.054 3.627
280 2HB GLU 43 1HB GLU 43 -9.866 4.119 3.345
281 1HG GLU 43 2HG GLU 43 -8.594 2.651 1.784
282 2HG GLU 43 1HG GLU 43 -7.127 3.551 2.172
283 H SER 44 H SER 44 -7.063 6.301 0.773
284 HA SER 44 HA SER 44 -7.335 8.810 2.342
285 1HB SER 44 2HB SER 44 -4.967 8.208 0.605
286 2HB SER 44 1HB SER 44 -5.032 9.063 2.143
287 HG SER 44 HG SER 44 -4.785 7.228 3.138
288 H ASN 45 H ASN 45 -8.113 7.656 -0.706
289 HA ASN 45 HA ASN 45 -8.896 8.797 -2.608
290 1HB ASN 45 2HB ASN 45 -9.655 10.467 -0.776
291 2HB ASN 45 1HB ASN 45 -8.228 11.399 -1.230
292 1HD2 ASN 45 1HD2 ASN 45 -11.502 10.905 -1.999
293 2HD2 ASN 45 2HD2 ASN 45 -11.503 11.626 -3.535
294 H GLY 46 H GLY 46 -5.923 8.331 -1.811
295 1HA GLY 46 2HA GLY 46 -4.087 8.412 -3.382
296 2HA GLY 46 1HA GLY 46 -4.841 9.813 -4.147
297 H THR 47 H THR 47 -4.728 9.772 -0.692
298 HA THR 47 HA THR 47 -2.899 12.079 -0.746
299 HB THR 47 HB THR 47 -4.587 10.772 1.396
300 HG1 THR 47 1HG THR 47 -5.804 12.147 0.299
301 1HG2 THR 47 1HG2 THR 47 -2.662 11.425 2.609
302 2HG2 THR 47 2HG2 THR 47 -3.784 12.772 2.795
303 3HG2 THR 47 3HG2 THR 47 -2.452 12.887 1.645
304 H LEU 48 H LEU 48 -2.425 8.842 -0.794
305 HA LEU 48 HA LEU 48 -0.150 8.927 1.134
306 1HB LEU 48 2HB LEU 48 -2.095 7.034 0.912
307 2HB LEU 48 1HB LEU 48 -0.864 6.356 -0.154
308 HG LEU 48 HG LEU 48 0.813 6.737 1.711
309 1HD1 LEU 48 1HD1 LEU 48 -0.257 6.899 4.008
310 2HD1 LEU 48 2HD1 LEU 48 -1.761 7.332 3.193
311 3HD1 LEU 48 3HD1 LEU 48 -0.343 8.371 3.042
312 1HD2 LEU 48 1HD2 LEU 48 -0.291 4.833 3.157
313 2HD2 LEU 48 2HD2 LEU 48 0.181 4.497 1.491
314 3HD2 LEU 48 3HD2 LEU 48 -1.507 4.832 1.879
315 H THR 49 H THR 49 1.839 7.711 0.366
316 HA THR 49 HA THR 49 2.211 7.640 -2.564
317 HB THR 49 HB THR 49 4.335 9.062 -2.235
318 HG1 THR 49 1HG THR 49 3.681 10.639 -0.429
319 1HG2 THR 49 1HG2 THR 49 2.515 9.949 -3.505
320 2HG2 THR 49 2HG2 THR 49 2.973 11.197 -2.348
321 3HG2 THR 49 3HG2 THR 49 1.547 10.204 -2.055
322 H LEU 50 H LEU 50 5.031 7.437 -2.491
323 HA LEU 50 HA LEU 50 5.471 5.050 -0.749
324 1HB LEU 50 2HB LEU 50 5.109 4.545 -3.220
325 2HB LEU 50 1HB LEU 50 6.600 5.429 -3.535
326 HG LEU 50 HG LEU 50 7.794 3.891 -1.972
327 1HD1 LEU 50 1HD1 LEU 50 5.937 1.731 -1.960
328 2HD1 LEU 50 2HD1 LEU 50 5.092 3.152 -1.346
329 3HD1 LEU 50 3HD1 LEU 50 6.582 2.610 -0.572
330 1HD2 LEU 50 1HD2 LEU 50 6.802 3.362 -4.589
331 2HD2 LEU 50 2HD2 LEU 50 6.740 1.846 -3.690
332 3HD2 LEU 50 3HD2 LEU 50 8.264 2.721 -3.838
333 H SER 51 H SER 51 7.862 4.696 -0.301
334 HA SER 51 HA SER 51 9.491 7.157 -0.675
335 1HB SER 51 2HB SER 51 8.367 6.198 1.854
336 2HB SER 51 1HB SER 51 10.112 6.430 1.915
337 HG SER 51 HG SER 51 8.355 8.348 0.798
338 H HIS 52 H HIS 52 9.363 3.707 0.100
339 HA HIS 52 HA HIS 52 12.107 3.458 -0.937
340 1HB HIS 52 2HB HIS 52 12.783 3.762 1.282
341 2HB HIS 52 1HB HIS 52 11.343 2.981 1.931
342 HD1 HIS 52 1HD HIS 52 11.743 0.689 2.782
343 HD2 HIS 52 2HD HIS 52 14.442 1.670 -0.239
344 HE1 HIS 52 1HE HIS 52 13.273 -1.306 2.517
345 H PHE 53 H PHE 53 11.115 2.206 -2.590
346 HA PHE 53 HA PHE 53 9.290 0.120 -2.392
347 1HB PHE 53 2HB PHE 53 11.269 0.963 -4.279
348 2HB PHE 53 1HB PHE 53 11.404 -0.785 -4.098
349 HD1 PHE 53 1HD PHE 53 9.288 1.985 -5.228
350 HD2 PHE 53 2HD PHE 53 9.474 -2.255 -4.565
351 HE1 PHE 53 1HE PHE 53 7.248 1.679 -6.606
352 HE2 PHE 53 2HE PHE 53 7.434 -2.560 -5.943
353 HZ PHE 53 HZ PHE 53 6.322 -0.593 -6.963
354 H GLY 54 H GLY 54 9.480 -1.099 -0.469
355 1HA GLY 54 2HA GLY 54 10.685 -3.489 -0.283
356 2HA GLY 54 1HA GLY 54 12.053 -2.444 0.104
357 H LYS 55 H LYS 55 11.253 -4.192 2.046
358 HA LYS 55 HA LYS 55 9.233 -3.228 3.826
359 1HB LYS 55 2HB LYS 55 10.348 -4.635 5.524
360 2HB LYS 55 1HB LYS 55 10.189 -5.498 3.993
361 1HG LYS 55 2HG LYS 55 12.492 -5.067 3.424
362 2HG LYS 55 1HG LYS 55 12.681 -3.976 4.798
363 1HD LYS 55 2HD LYS 55 12.334 -5.825 6.358
364 2HD LYS 55 1HD LYS 55 12.041 -6.932 5.017
365 1HE LYS 55 2HE LYS 55 14.613 -5.365 5.233
366 2HE LYS 55 1HE LYS 55 14.411 -6.923 6.035
367 1HZ LYS 55 1HZ LYS 55 13.490 -7.111 3.384
368 2HZ LYS 55 2HZ LYS 55 14.772 -7.945 4.123
369 3HZ LYS 55 3HZ LYS 55 15.051 -6.446 3.370
370 H CYS 56 H CYS 56 9.294 -1.648 5.389
371 HA CYS 56 HA CYS 56 11.798 -0.041 5.552
372 1HB CYS 56 2HB CYS 56 9.030 0.638 5.370
373 2HB CYS 56 1HB CYS 56 9.617 1.189 6.939
Start of MODEL 5
1 1H ALA 3 1HT ALA 3 4.840 10.123 -6.353
2 2H ALA 3 2HT ALA 3 6.090 8.974 -6.410
3 3H ALA 3 3HT ALA 3 4.582 8.630 -7.115
4 HA ALA 3 HA ALA 3 5.094 10.755 -8.515
5 1HB ALA 3 1HB ALA 3 7.379 11.218 -8.823
6 2HB ALA 3 2HB ALA 3 7.881 9.684 -8.113
7 3HB ALA 3 3HB ALA 3 7.264 10.973 -7.080
8 H VAL 4 H VAL 4 6.514 7.523 -8.042
9 HA VAL 4 HA VAL 4 6.861 6.861 -10.781
10 HB VAL 4 HB VAL 4 7.779 5.452 -9.019
11 1HG1 VAL 4 1HG1 VAL 4 6.172 4.002 -7.702
12 2HG1 VAL 4 2HG1 VAL 4 4.866 5.016 -8.313
13 3HG1 VAL 4 3HG1 VAL 4 6.122 5.716 -7.292
14 1HG2 VAL 4 1HG2 VAL 4 7.269 3.331 -9.964
15 2HG2 VAL 4 2HG2 VAL 4 6.985 4.481 -11.272
16 3HG2 VAL 4 3HG2 VAL 4 5.623 3.819 -10.368
17 H SER 5 H SER 5 5.468 5.371 -12.077
18 HA SER 5 HA SER 5 2.691 6.295 -11.995
19 1HB SER 5 2HB SER 5 4.023 4.274 -13.823
20 2HB SER 5 1HB SER 5 2.431 4.986 -14.062
21 HG SER 5 HG SER 5 4.698 5.930 -14.902
22 H VAL 6 H VAL 6 0.991 5.184 -11.145
23 HA VAL 6 HA VAL 6 1.352 2.288 -10.541
24 HB VAL 6 HB VAL 6 1.794 3.684 -8.490
25 1HG1 VAL 6 1HG1 VAL 6 0.422 5.399 -8.007
26 2HG1 VAL 6 2HG1 VAL 6 -0.938 4.286 -7.873
27 3HG1 VAL 6 3HG1 VAL 6 -0.546 5.014 -9.430
28 1HG2 VAL 6 1HG2 VAL 6 -0.779 2.122 -8.219
29 2HG2 VAL 6 2HG2 VAL 6 0.539 2.260 -7.057
30 3HG2 VAL 6 3HG2 VAL 6 0.761 1.323 -8.535
31 H ASP 7 H ASP 7 -0.691 1.132 -10.401
32 HA ASP 7 HA ASP 7 -2.895 2.577 -11.808
33 1HB ASP 7 2HB ASP 7 -3.667 0.230 -12.389
34 2HB ASP 7 1HB ASP 7 -2.130 0.707 -13.112
35 H CYS 8 H CYS 8 -4.005 3.403 -10.008
36 HA CYS 8 HA CYS 8 -5.317 1.333 -8.311
37 1HB CYS 8 2HB CYS 8 -3.352 2.725 -7.216
38 2HB CYS 8 1HB CYS 8 -4.586 3.981 -7.108
39 H SER 9 H SER 9 -6.084 3.031 -10.686
40 HA SER 9 HA SER 9 -7.871 5.104 -9.897
41 1HB SER 9 2HB SER 9 -7.229 4.918 -12.218
42 2HB SER 9 1HB SER 9 -7.853 3.274 -12.315
43 HG SER 9 HG SER 9 -9.387 4.651 -13.161
44 H GLU 10 H GLU 10 -8.997 4.253 -8.062
45 HA GLU 10 HA GLU 10 -10.840 3.247 -7.015
46 1HB GLU 10 2HB GLU 10 -11.886 2.536 -9.753
47 2HB GLU 10 1HB GLU 10 -12.795 2.963 -8.303
48 1HG GLU 10 2HG GLU 10 -10.936 4.907 -9.689
49 2HG GLU 10 1HG GLU 10 -12.651 4.780 -10.089
50 H TYR 11 H TYR 11 -8.587 1.661 -7.208
51 HA TYR 11 HA TYR 11 -9.800 -1.024 -7.701
52 1HB TYR 11 2HB TYR 11 -8.180 -0.420 -9.503
53 2HB TYR 11 1HB TYR 11 -6.927 -0.240 -8.276
54 HD1 TYR 11 1HD TYR 11 -5.468 -2.014 -8.975
55 HD2 TYR 11 2HD TYR 11 -9.623 -2.797 -8.207
56 HE1 TYR 11 1HE TYR 11 -5.027 -4.453 -9.061
57 HE2 TYR 11 2HE TYR 11 -9.179 -5.233 -8.292
58 HH TYR 11 HH TYR 11 -6.331 -6.597 -7.948
59 HA PRO 12 HA PRO 12 -7.806 -0.584 -3.480
60 1HB PRO 12 2HB PRO 12 -10.115 -0.599 -1.993
61 2HB PRO 12 1HB PRO 12 -9.336 0.886 -2.569
62 1HG PRO 12 2HG PRO 12 -11.804 -0.454 -3.577
63 2HG PRO 12 1HG PRO 12 -11.351 1.257 -3.642
64 1HD PRO 12 2HD PRO 12 -11.178 -0.577 -5.788
65 2HD PRO 12 1HD PRO 12 -10.412 1.024 -5.712
66 H LYS 13 H LYS 13 -7.801 -2.334 -1.862
67 HA LYS 13 HA LYS 13 -9.601 -4.597 -2.141
68 1HB LYS 13 2HB LYS 13 -6.915 -4.629 -3.455
69 2HB LYS 13 1HB LYS 13 -7.478 -6.106 -2.671
70 1HG LYS 13 2HG LYS 13 -9.704 -5.173 -4.081
71 2HG LYS 13 1HG LYS 13 -8.347 -4.911 -5.176
72 1HD LYS 13 2HD LYS 13 -8.299 -7.509 -3.776
73 2HD LYS 13 1HD LYS 13 -9.656 -7.303 -4.883
74 1HE LYS 13 2HE LYS 13 -8.240 -6.951 -6.743
75 2HE LYS 13 1HE LYS 13 -6.841 -6.616 -5.723
76 1HZ LYS 13 1HZ LYS 13 -6.548 -8.788 -6.511
77 2HZ LYS 13 2HZ LYS 13 -8.166 -9.217 -6.214
78 3HZ LYS 13 3HZ LYS 13 -7.095 -8.977 -4.917
79 H CYS 14 H CYS 14 -9.807 -4.405 0.119
80 HA CYS 14 HA CYS 14 -7.349 -4.651 1.756
81 1HB CYS 14 2HB CYS 14 -10.183 -4.456 2.789
82 2HB CYS 14 1HB CYS 14 -8.687 -4.010 3.611
83 H ALA 15 H ALA 15 -8.537 -6.844 0.056
84 HA ALA 15 HA ALA 15 -8.574 -8.901 2.200
85 1HB ALA 15 1HB ALA 15 -10.895 -8.733 1.841
86 2HB ALA 15 2HB ALA 15 -10.422 -10.051 0.770
87 3HB ALA 15 3HB ALA 15 -10.698 -8.439 0.113
88 H CYS 16 H CYS 16 -6.306 -8.738 0.997
89 HA CYS 16 HA CYS 16 -6.380 -10.451 -1.447
90 1HB CYS 16 2HB CYS 16 -4.588 -8.297 -0.481
91 2HB CYS 16 1HB CYS 16 -3.795 -9.661 -1.271
92 H THR 17 H THR 17 -4.172 -11.780 -1.525
93 HA THR 17 HA THR 17 -4.339 -13.630 0.726
94 HB THR 17 HB THR 17 -4.054 -14.359 -1.654
95 HG1 THR 17 1HG THR 17 -2.019 -15.653 -1.018
96 1HG2 THR 17 1HG2 THR 17 -1.925 -12.463 -1.538
97 2HG2 THR 17 2HG2 THR 17 -2.477 -13.402 -2.925
98 3HG2 THR 17 3HG2 THR 17 -1.225 -14.048 -1.864
99 H MET 18 H MET 18 -1.207 -14.002 0.126
100 HA MET 18 HA MET 18 -0.322 -11.800 1.930
101 1HB MET 18 2HB MET 18 0.718 -14.611 2.240
102 2HB MET 18 1HB MET 18 0.768 -13.281 3.399
103 1HG MET 18 2HG MET 18 -1.607 -13.426 3.780
104 2HG MET 18 1HG MET 18 -1.804 -14.574 2.455
105 1HE MET 18 1HE MET 18 -2.574 -17.026 5.208
106 2HE MET 18 2HE MET 18 -2.863 -16.549 3.538
107 3HE MET 18 3HE MET 18 -3.170 -15.402 4.839
108 H GLU 19 H GLU 19 0.022 -12.064 -0.951
109 HA GLU 19 HA GLU 19 2.423 -13.150 -1.851
110 1HB GLU 19 2HB GLU 19 0.754 -11.803 -3.209
111 2HB GLU 19 1HB GLU 19 1.507 -10.350 -2.552
112 1HG GLU 19 2HG GLU 19 3.713 -11.175 -3.431
113 2HG GLU 19 1HG GLU 19 2.847 -12.493 -4.223
114 H TYR 20 H TYR 20 4.619 -12.281 -1.977
115 HA TYR 20 HA TYR 20 5.229 -10.573 0.382
116 1HB TYR 20 2HB TYR 20 6.328 -12.947 -0.281
117 2HB TYR 20 1HB TYR 20 7.435 -11.848 -1.109
118 HD1 TYR 20 1HD TYR 20 6.993 -13.527 1.876
119 HD2 TYR 20 2HD TYR 20 7.886 -9.596 0.399
120 HE1 TYR 20 1HE TYR 20 8.068 -12.956 4.035
121 HE2 TYR 20 2HE TYR 20 8.962 -9.023 2.556
122 HH TYR 20 HH TYR 20 10.085 -10.359 4.457
123 H ARG 21 H ARG 21 5.203 -8.505 -0.233
124 HA ARG 21 HA ARG 21 7.236 -7.546 -2.100
125 1HB ARG 21 2HB ARG 21 4.551 -6.355 -2.602
126 2HB ARG 21 1HB ARG 21 5.891 -6.591 -3.715
127 1HG ARG 21 2HG ARG 21 4.364 -8.967 -2.666
128 2HG ARG 21 1HG ARG 21 3.732 -8.028 -4.010
129 1HD ARG 21 2HD ARG 21 5.641 -10.085 -4.157
130 2HD ARG 21 1HD ARG 21 5.167 -8.987 -5.450
131 HE ARG 21 HE ARG 21 7.480 -8.506 -3.615
132 1HH1 ARG 21 1HH1 ARG 21 6.459 -8.975 -6.790
133 2HH1 ARG 21 2HH1 ARG 21 7.405 -7.690 -7.464
134 1HH2 ARG 21 1HH2 ARG 21 8.412 -6.457 -4.386
135 2HH2 ARG 21 2HH2 ARG 21 8.512 -6.268 -6.104
136 HA PRO 22 HA PRO 22 6.670 -4.930 1.554
137 1HB PRO 22 2HB PRO 22 9.337 -4.283 1.745
138 2HB PRO 22 1HB PRO 22 8.617 -5.738 2.457
139 1HG PRO 22 2HG PRO 22 10.318 -5.485 0.019
140 2HG PRO 22 1HG PRO 22 10.122 -6.864 1.112
141 1HD PRO 22 2HD PRO 22 8.912 -6.597 -1.423
142 2HD PRO 22 1HD PRO 22 8.442 -7.764 -0.168
143 H LEU 23 H LEU 23 6.008 -2.847 1.254
144 HA LEU 23 HA LEU 23 7.464 -1.164 -0.749
145 1HB LEU 23 2HB LEU 23 4.495 -1.361 -0.182
146 2HB LEU 23 1HB LEU 23 5.206 0.005 -1.046
147 HG LEU 23 HG LEU 23 5.964 -2.720 -1.982
148 1HD1 LEU 23 1HD1 LEU 23 3.886 -2.818 -3.378
149 2HD1 LEU 23 2HD1 LEU 23 3.235 -1.477 -2.436
150 3HD1 LEU 23 3HD1 LEU 23 3.572 -3.022 -1.655
151 1HD2 LEU 23 1HD2 LEU 23 6.904 -0.865 -3.154
152 2HD2 LEU 23 2HD2 LEU 23 5.356 -0.023 -3.210
153 3HD2 LEU 23 3HD2 LEU 23 5.611 -1.467 -4.191
154 H CYS 24 H CYS 24 8.258 0.711 0.121
155 HA CYS 24 HA CYS 24 7.563 1.333 2.926
156 1HB CYS 24 2HB CYS 24 9.951 1.353 2.019
157 2HB CYS 24 1HB CYS 24 9.510 2.821 1.146
158 H GLY 25 H GLY 25 5.321 1.937 2.250
159 1HA GLY 25 2HA GLY 25 4.580 3.966 0.497
160 2HA GLY 25 1HA GLY 25 3.748 3.673 2.024
161 H SER 26 H SER 26 4.297 6.261 0.726
162 HA SER 26 HA SER 26 6.428 7.723 1.788
163 1HB SER 26 2HB SER 26 4.739 8.626 0.199
164 2HB SER 26 1HB SER 26 3.568 8.694 1.514
165 HG SER 26 HG SER 26 5.499 9.916 2.544
166 H ASP 27 H ASP 27 3.792 6.302 3.509
167 HA ASP 27 HA ASP 27 4.093 8.062 5.849
168 1HB ASP 27 2HB ASP 27 2.336 6.746 6.837
169 2HB ASP 27 1HB ASP 27 1.891 7.017 5.152
170 H ASN 28 H ASN 28 6.337 6.309 4.799
171 HA ASN 28 HA ASN 28 8.002 4.905 5.664
172 1HB ASN 28 2HB ASN 28 7.591 6.890 7.460
173 2HB ASN 28 1HB ASN 28 7.193 5.493 8.461
174 1HD2 ASN 28 1HD2 ASN 28 9.029 4.915 9.633
175 2HD2 ASN 28 2HD2 ASN 28 10.606 4.857 9.006
176 H LYS 29 H LYS 29 5.574 3.604 5.057
177 HA LYS 29 HA LYS 29 5.422 1.619 7.289
178 1HB LYS 29 2HB LYS 29 3.326 3.003 6.749
179 2HB LYS 29 1HB LYS 29 3.243 2.071 5.253
180 1HG LYS 29 2HG LYS 29 2.317 0.347 6.354
181 2HG LYS 29 1HG LYS 29 3.713 0.268 7.428
182 1HD LYS 29 2HD LYS 29 2.227 2.528 8.242
183 2HD LYS 29 1HD LYS 29 1.058 1.228 8.001
184 1HE LYS 29 2HE LYS 29 3.074 -0.106 9.280
185 2HE LYS 29 1HE LYS 29 3.194 1.488 10.026
186 1HZ LYS 29 1HZ LYS 29 0.813 1.380 10.500
187 2HZ LYS 29 2HZ LYS 29 1.656 0.104 11.238
188 3HZ LYS 29 3HZ LYS 29 0.742 -0.178 9.833
189 H THR 30 H THR 30 5.126 -0.619 6.643
190 HA THR 30 HA THR 30 6.271 -1.169 3.936
191 HB THR 30 HB THR 30 6.361 -2.848 6.463
192 HG1 THR 30 1HG THR 30 8.456 -2.227 6.553
193 1HG2 THR 30 1HG2 THR 30 8.136 -3.503 4.215
194 2HG2 THR 30 2HG2 THR 30 6.424 -3.741 3.860
195 3HG2 THR 30 3HG2 THR 30 7.165 -4.569 5.229
196 H TYR 31 H TYR 31 4.656 -1.784 2.570
197 HA TYR 31 HA TYR 31 2.267 -3.149 3.636
198 1HB TYR 31 2HB TYR 31 2.991 -2.062 0.905
199 2HB TYR 31 1HB TYR 31 1.465 -2.859 1.272
200 HD1 TYR 31 1HD TYR 31 3.400 0.195 1.561
201 HD2 TYR 31 2HD TYR 31 -0.064 -1.881 3.024
202 HE1 TYR 31 1HE TYR 31 2.514 2.321 2.478
203 HE2 TYR 31 2HE TYR 31 -0.951 0.246 3.941
204 HH TYR 31 HH TYR 31 0.971 3.205 3.897
205 H GLY 32 H GLY 32 1.531 -5.171 2.705
206 1HA GLY 32 2HA GLY 32 3.724 -7.033 2.209
207 2HA GLY 32 1HA GLY 32 2.012 -7.448 2.287
208 H ASN 33 H ASN 33 1.465 -5.216 0.274
209 HA ASN 33 HA ASN 33 2.844 -5.838 -2.155
210 1HB ASN 33 2HB ASN 33 0.810 -7.019 -3.232
211 2HB ASN 33 1HB ASN 33 1.853 -7.983 -2.185
212 1HD2 ASN 33 1HD2 ASN 33 0.778 -9.120 -0.568
213 2HD2 ASN 33 2HD2 ASN 33 -0.762 -8.737 0.033
214 H LYS 34 H LYS 34 1.684 -4.865 -4.058
215 HA LYS 34 HA LYS 34 0.723 -2.267 -3.435
216 1HB LYS 34 2HB LYS 34 0.277 -2.024 -5.795
217 2HB LYS 34 1HB LYS 34 1.744 -2.988 -5.629
218 1HG LYS 34 2HG LYS 34 -0.143 -4.950 -5.590
219 2HG LYS 34 1HG LYS 34 -0.922 -3.772 -6.648
220 1HD LYS 34 2HD LYS 34 1.496 -3.669 -7.745
221 2HD LYS 34 1HD LYS 34 1.629 -5.284 -7.051
222 1HE LYS 34 2HE LYS 34 -0.120 -6.132 -8.351
223 2HE LYS 34 1HE LYS 34 -0.821 -4.537 -8.623
224 1HZ LYS 34 1HZ LYS 34 1.139 -5.921 -10.148
225 2HZ LYS 34 2HZ LYS 34 1.717 -4.400 -9.660
226 3HZ LYS 34 3HZ LYS 34 0.268 -4.519 -10.539
227 H CYS 35 H CYS 35 -0.918 -5.268 -3.360
228 HA CYS 35 HA CYS 35 -3.568 -4.203 -3.958
229 1HB CYS 35 2HB CYS 35 -3.238 -6.574 -4.257
230 2HB CYS 35 1HB CYS 35 -2.616 -6.751 -2.618
231 H ASN 36 H ASN 36 -1.562 -4.728 -1.127
232 HA ASN 36 HA ASN 36 -3.648 -3.892 0.754
233 1HB ASN 36 2HB ASN 36 -1.262 -5.321 0.951
234 2HB ASN 36 1HB ASN 36 -0.883 -3.774 1.702
235 1HD2 ASN 36 1HD2 ASN 36 -3.452 -6.304 1.749
236 2HD2 ASN 36 2HD2 ASN 36 -3.807 -6.123 3.399
237 H PHE 37 H PHE 37 -1.279 -2.457 -1.267
238 HA PHE 37 HA PHE 37 -1.026 0.017 0.275
239 1HB PHE 37 2HB PHE 37 0.825 -0.804 -1.177
240 2HB PHE 37 1HB PHE 37 -0.221 -0.611 -2.584
241 HD1 PHE 37 1HD PHE 37 -0.669 1.537 -3.536
242 HD2 PHE 37 2HD PHE 37 1.512 1.206 0.148
243 HE1 PHE 37 1HE PHE 37 -0.057 3.934 -3.686
244 HE2 PHE 37 2HE PHE 37 2.126 3.605 -0.001
245 HZ PHE 37 HZ PHE 37 1.338 4.966 -1.920
246 H CYS 38 H CYS 38 -2.881 -1.193 -2.464
247 HA CYS 38 HA CYS 38 -3.985 1.388 -3.183
248 1HB CYS 38 2HB CYS 38 -4.351 -1.424 -3.998
249 2HB CYS 38 1HB CYS 38 -5.813 -0.442 -4.101
250 H CYS 39 H CYS 39 -4.752 -1.110 -0.859
251 HA CYS 39 HA CYS 39 -7.453 -0.126 -0.341
252 1HB CYS 39 2HB CYS 39 -7.103 -2.413 0.214
253 2HB CYS 39 1HB CYS 39 -5.608 -2.056 1.076
254 H ALA 40 H ALA 40 -4.248 0.297 1.105
255 HA ALA 40 HA ALA 40 -5.195 1.958 3.290
256 1HB ALA 40 1HB ALA 40 -2.835 2.435 3.677
257 2HB ALA 40 2HB ALA 40 -2.415 1.818 2.079
258 3HB ALA 40 3HB ALA 40 -3.015 0.717 3.320
259 H VAL 41 H VAL 41 -4.451 2.477 -0.051
260 HA VAL 41 HA VAL 41 -4.010 5.351 0.178
261 HB VAL 41 HB VAL 41 -4.527 3.491 -2.152
262 1HG1 VAL 41 1HG1 VAL 41 -4.578 6.463 -1.999
263 2HG1 VAL 41 2HG1 VAL 41 -5.381 5.380 -3.136
264 3HG1 VAL 41 3HG1 VAL 41 -3.672 5.761 -3.341
265 1HG2 VAL 41 1HG2 VAL 41 -2.107 5.211 -1.590
266 2HG2 VAL 41 2HG2 VAL 41 -2.221 3.785 -2.621
267 3HG2 VAL 41 3HG2 VAL 41 -2.283 3.612 -0.868
268 H VAL 42 H VAL 42 -6.747 3.225 -0.442
269 HA VAL 42 HA VAL 42 -8.521 5.454 -1.126
270 HB VAL 42 HB VAL 42 -8.916 2.488 -0.715
271 1HG1 VAL 42 1HG1 VAL 42 -11.310 2.975 -1.474
272 2HG1 VAL 42 2HG1 VAL 42 -10.999 4.659 -1.053
273 3HG1 VAL 42 3HG1 VAL 42 -10.929 3.411 0.192
274 1HG2 VAL 42 1HG2 VAL 42 -9.290 4.381 -3.059
275 2HG2 VAL 42 2HG2 VAL 42 -9.618 2.649 -3.099
276 3HG2 VAL 42 3HG2 VAL 42 -7.970 3.230 -2.855
277 H GLU 43 H GLU 43 -7.396 3.986 1.763
278 HA GLU 43 HA GLU 43 -9.785 4.768 3.309
279 1HB GLU 43 2HB GLU 43 -8.744 3.714 5.181
280 2HB GLU 43 1HB GLU 43 -8.389 2.682 3.796
281 1HG GLU 43 2HG GLU 43 -6.160 3.523 3.621
282 2HG GLU 43 1HG GLU 43 -6.493 4.844 4.739
283 H SER 44 H SER 44 -6.606 5.998 2.540
284 HA SER 44 HA SER 44 -6.720 8.037 4.666
285 1HB SER 44 2HB SER 44 -4.637 6.848 3.306
286 2HB SER 44 1HB SER 44 -4.755 8.415 2.510
287 HG SER 44 HG SER 44 -4.835 9.271 4.740
288 H ASN 45 H ASN 45 -8.562 7.749 2.125
289 HA ASN 45 HA ASN 45 -9.848 9.332 0.945
290 1HB ASN 45 2HB ASN 45 -9.207 10.766 3.064
291 2HB ASN 45 1HB ASN 45 -8.103 11.563 1.943
292 1HD2 ASN 45 1HD2 ASN 45 -10.761 12.483 3.229
293 2HD2 ASN 45 2HD2 ASN 45 -11.683 13.020 1.909
294 H GLY 46 H GLY 46 -7.239 8.111 0.082
295 1HA GLY 46 2HA GLY 46 -5.957 8.190 -1.887
296 2HA GLY 46 1HA GLY 46 -6.998 9.507 -2.431
297 H THR 47 H THR 47 -5.347 9.723 0.642
298 HA THR 47 HA THR 47 -3.660 11.896 -0.532
299 HB THR 47 HB THR 47 -3.544 12.793 1.768
300 HG1 THR 47 1HG THR 47 -3.746 11.054 3.050
301 1HG2 THR 47 1HG2 THR 47 -5.484 13.255 0.132
302 2HG2 THR 47 2HG2 THR 47 -5.749 13.650 1.831
303 3HG2 THR 47 3HG2 THR 47 -6.431 12.172 1.152
304 H LEU 48 H LEU 48 -3.382 8.734 0.276
305 HA LEU 48 HA LEU 48 -0.751 8.961 1.626
306 1HB LEU 48 2HB LEU 48 -2.531 7.222 2.250
307 2HB LEU 48 1HB LEU 48 -2.131 6.422 0.729
308 HG LEU 48 HG LEU 48 0.329 7.021 2.009
309 1HD1 LEU 48 1HD1 LEU 48 -0.494 7.177 4.176
310 2HD1 LEU 48 2HD1 LEU 48 -0.228 5.437 4.059
311 3HD1 LEU 48 3HD1 LEU 48 -1.850 6.099 3.849
312 1HD2 LEU 48 1HD2 LEU 48 0.244 4.415 2.247
313 2HD2 LEU 48 2HD2 LEU 48 0.214 5.122 0.631
314 3HD2 LEU 48 3HD2 LEU 48 -1.282 4.558 1.375
315 H THR 49 H THR 49 1.171 8.012 0.647
316 HA THR 49 HA THR 49 0.963 7.443 -2.268
317 HB THR 49 HB THR 49 2.824 8.961 -2.763
318 HG1 THR 49 1HG THR 49 3.502 10.371 -1.066
319 1HG2 THR 49 1HG2 THR 49 1.341 10.987 -1.401
320 2HG2 THR 49 2HG2 THR 49 0.213 9.743 -1.936
321 3HG2 THR 49 3HG2 THR 49 1.268 10.537 -3.103
322 H LEU 50 H LEU 50 3.794 7.419 -2.644
323 HA LEU 50 HA LEU 50 4.549 5.012 -1.041
324 1HB LEU 50 2HB LEU 50 4.365 4.265 -3.257
325 2HB LEU 50 1HB LEU 50 4.933 5.791 -3.925
326 HG LEU 50 HG LEU 50 7.208 5.241 -2.886
327 1HD1 LEU 50 1HD1 LEU 50 6.023 3.390 -1.446
328 2HD1 LEU 50 2HD1 LEU 50 7.640 3.088 -2.080
329 3HD1 LEU 50 3HD1 LEU 50 6.232 2.398 -2.888
330 1HD2 LEU 50 1HD2 LEU 50 6.017 3.476 -5.045
331 2HD2 LEU 50 2HD2 LEU 50 7.745 3.610 -4.722
332 3HD2 LEU 50 3HD2 LEU 50 6.841 5.019 -5.276
333 H SER 51 H SER 51 6.965 4.834 -0.675
334 HA SER 51 HA SER 51 8.268 7.523 -0.635
335 1HB SER 51 2HB SER 51 8.380 7.479 1.609
336 2HB SER 51 1HB SER 51 7.428 6.001 1.607
337 HG SER 51 HG SER 51 9.899 6.266 2.364
338 H HIS 52 H HIS 52 8.684 4.010 -0.825
339 HA HIS 52 HA HIS 52 10.899 4.164 -2.571
340 1HB HIS 52 2HB HIS 52 12.583 4.778 -1.194
341 2HB HIS 52 1HB HIS 52 11.550 4.642 0.223
342 HD1 HIS 52 1HD HIS 52 11.782 2.550 1.659
343 HD2 HIS 52 2HD HIS 52 14.011 2.336 -1.857
344 HE1 HIS 52 1HE HIS 52 13.288 0.527 1.888
345 H PHE 53 H PHE 53 10.186 2.342 -3.589
346 HA PHE 53 HA PHE 53 8.900 0.108 -2.607
347 1HB PHE 53 2HB PHE 53 10.909 0.465 -4.815
348 2HB PHE 53 1HB PHE 53 10.312 -1.143 -4.430
349 HD1 PHE 53 1HD PHE 53 9.345 2.242 -5.570
350 HD2 PHE 53 2HD PHE 53 8.042 -1.799 -4.914
351 HE1 PHE 53 1HE PHE 53 7.270 2.702 -6.850
352 HE2 PHE 53 2HE PHE 53 5.969 -1.338 -6.191
353 HZ PHE 53 HZ PHE 53 5.582 0.912 -7.158
354 H GLY 54 H GLY 54 9.457 -1.116 -0.859
355 1HA GLY 54 2HA GLY 54 11.269 -2.953 -0.408
356 2HA GLY 54 1HA GLY 54 12.352 -1.565 -0.307
357 H LYS 55 H LYS 55 12.325 -2.977 1.931
358 HA LYS 55 HA LYS 55 10.203 -2.290 3.778
359 1HB LYS 55 2HB LYS 55 12.889 -3.588 3.965
360 2HB LYS 55 1HB LYS 55 12.172 -2.956 5.449
361 1HG LYS 55 2HG LYS 55 10.615 -4.596 5.521
362 2HG LYS 55 1HG LYS 55 10.261 -4.446 3.800
363 1HD LYS 55 2HD LYS 55 11.186 -6.613 4.010
364 2HD LYS 55 1HD LYS 55 12.526 -5.626 3.424
365 1HE LYS 55 2HE LYS 55 13.673 -5.766 5.400
366 2HE LYS 55 1HE LYS 55 12.200 -5.765 6.373
367 1HZ LYS 55 1HZ LYS 55 13.216 -8.046 4.765
368 2HZ LYS 55 2HZ LYS 55 11.790 -8.046 5.687
369 3HZ LYS 55 3HZ LYS 55 13.300 -7.911 6.454
370 H CYS 56 H CYS 56 10.063 -0.539 5.145
371 HA CYS 56 HA CYS 56 11.643 1.799 4.591
372 1HB CYS 56 2HB CYS 56 9.848 1.182 6.960
373 2HB CYS 56 1HB CYS 56 10.467 2.780 6.541
Start of MODEL 6
1 1H ALA 3 1HT ALA 3 8.678 11.035 -8.023
2 2H ALA 3 2HT ALA 3 8.543 9.637 -7.067
3 3H ALA 3 3HT ALA 3 7.713 11.053 -6.629
4 HA ALA 3 HA ALA 3 6.005 9.922 -7.591
5 1HB ALA 3 1HB ALA 3 7.291 11.002 -10.105
6 2HB ALA 3 2HB ALA 3 6.612 12.069 -8.875
7 3HB ALA 3 3HB ALA 3 5.575 10.913 -9.710
8 H VAL 4 H VAL 4 5.469 7.897 -8.290
9 HA VAL 4 HA VAL 4 7.465 6.463 -9.994
10 HB VAL 4 HB VAL 4 6.429 4.381 -8.761
11 1HG1 VAL 4 1HG1 VAL 4 8.355 6.270 -7.375
12 2HG1 VAL 4 2HG1 VAL 4 8.790 5.116 -8.635
13 3HG1 VAL 4 3HG1 VAL 4 8.210 4.539 -7.073
14 1HG2 VAL 4 1HG2 VAL 4 4.842 6.156 -7.579
15 2HG2 VAL 4 2HG2 VAL 4 6.214 6.313 -6.482
16 3HG2 VAL 4 3HG2 VAL 4 5.432 4.747 -6.697
17 H SER 5 H SER 5 6.165 4.289 -10.772
18 HA SER 5 HA SER 5 3.815 5.383 -12.222
19 1HB SER 5 2HB SER 5 5.976 3.706 -12.968
20 2HB SER 5 1HB SER 5 4.524 2.712 -13.029
21 HG SER 5 HG SER 5 3.572 4.328 -14.329
22 H VAL 6 H VAL 6 2.897 5.056 -9.817
23 HA VAL 6 HA VAL 6 1.689 2.320 -9.722
24 HB VAL 6 HB VAL 6 3.183 2.982 -7.780
25 1HG1 VAL 6 1HG1 VAL 6 1.881 5.390 -7.978
26 2HG1 VAL 6 2HG1 VAL 6 2.772 4.855 -6.553
27 3HG1 VAL 6 3HG1 VAL 6 1.024 4.635 -6.635
28 1HG2 VAL 6 1HG2 VAL 6 0.670 2.725 -6.382
29 2HG2 VAL 6 2HG2 VAL 6 1.922 1.508 -6.632
30 3HG2 VAL 6 3HG2 VAL 6 0.648 1.723 -7.833
31 H ASP 7 H ASP 7 -0.584 2.231 -9.150
32 HA ASP 7 HA ASP 7 -2.128 4.657 -8.791
33 1HB ASP 7 2HB ASP 7 -1.541 3.811 -11.488
34 2HB ASP 7 1HB ASP 7 -3.273 3.675 -11.181
35 H CYS 8 H CYS 8 -4.222 4.164 -8.104
36 HA CYS 8 HA CYS 8 -4.946 1.261 -8.110
37 1HB CYS 8 2HB CYS 8 -5.572 3.282 -5.935
38 2HB CYS 8 1HB CYS 8 -5.941 1.558 -5.904
39 H SER 9 H SER 9 -5.776 2.887 -10.176
40 HA SER 9 HA SER 9 -8.118 4.371 -9.955
41 1HB SER 9 2HB SER 9 -6.836 3.946 -12.075
42 2HB SER 9 1HB SER 9 -7.559 2.341 -12.137
43 HG SER 9 HG SER 9 -9.199 4.596 -11.814
44 H GLU 10 H GLU 10 -9.411 3.493 -8.290
45 HA GLU 10 HA GLU 10 -11.209 2.229 -7.466
46 1HB GLU 10 2HB GLU 10 -11.291 1.559 -10.406
47 2HB GLU 10 1HB GLU 10 -12.381 0.765 -9.270
48 1HG GLU 10 2HG GLU 10 -13.715 2.567 -9.672
49 2HG GLU 10 1HG GLU 10 -12.662 3.366 -8.504
50 H TYR 11 H TYR 11 -9.049 1.178 -6.532
51 HA TYR 11 HA TYR 11 -9.241 -1.740 -7.140
52 1HB TYR 11 2HB TYR 11 -7.063 -0.226 -7.780
53 2HB TYR 11 1HB TYR 11 -6.637 -0.749 -6.150
54 HD1 TYR 11 1HD TYR 11 -8.673 -2.542 -8.722
55 HD2 TYR 11 2HD TYR 11 -5.001 -2.415 -6.494
56 HE1 TYR 11 1HE TYR 11 -8.064 -4.780 -9.598
57 HE2 TYR 11 2HE TYR 11 -4.392 -4.654 -7.371
58 HH TYR 11 HH TYR 11 -6.513 -6.733 -8.728
59 HA PRO 12 HA PRO 12 -9.537 -0.674 -2.544
60 1HB PRO 12 2HB PRO 12 -12.243 -1.008 -2.223
61 2HB PRO 12 1HB PRO 12 -11.492 0.558 -2.579
62 1HG PRO 12 2HG PRO 12 -13.021 -1.250 -4.402
63 2HG PRO 12 1HG PRO 12 -12.860 0.515 -4.446
64 1HD PRO 12 2HD PRO 12 -11.471 -1.281 -6.109
65 2HD PRO 12 1HD PRO 12 -11.039 0.417 -5.822
66 H LYS 13 H LYS 13 -8.822 -2.588 -1.627
67 HA LYS 13 HA LYS 13 -10.609 -4.833 -1.328
68 1HB LYS 13 2HB LYS 13 -8.705 -6.326 -2.554
69 2HB LYS 13 1HB LYS 13 -10.162 -5.760 -3.369
70 1HG LYS 13 2HG LYS 13 -8.996 -3.862 -4.297
71 2HG LYS 13 1HG LYS 13 -7.566 -4.198 -3.320
72 1HD LYS 13 2HD LYS 13 -8.274 -6.553 -4.821
73 2HD LYS 13 1HD LYS 13 -8.143 -5.175 -5.915
74 1HE LYS 13 2HE LYS 13 -5.903 -4.800 -5.396
75 2HE LYS 13 1HE LYS 13 -6.032 -5.585 -3.821
76 1HZ LYS 13 1HZ LYS 13 -5.133 -7.335 -4.840
77 2HZ LYS 13 2HZ LYS 13 -5.445 -6.723 -6.394
78 3HZ LYS 13 3HZ LYS 13 -6.655 -7.569 -5.553
79 H CYS 14 H CYS 14 -10.045 -4.725 0.861
80 HA CYS 14 HA CYS 14 -7.182 -4.920 1.589
81 1HB CYS 14 2HB CYS 14 -9.627 -4.008 2.896
82 2HB CYS 14 1HB CYS 14 -8.698 -5.096 3.928
83 H ALA 15 H ALA 15 -8.785 -7.121 0.277
84 HA ALA 15 HA ALA 15 -8.137 -9.225 2.293
85 1HB ALA 15 1HB ALA 15 -10.438 -9.644 0.424
86 2HB ALA 15 2HB ALA 15 -10.693 -8.636 1.849
87 3HB ALA 15 3HB ALA 15 -10.169 -10.309 2.035
88 H CYS 16 H CYS 16 -6.132 -9.304 0.984
89 HA CYS 16 HA CYS 16 -6.517 -10.569 -1.694
90 1HB CYS 16 2HB CYS 16 -4.298 -8.965 -0.453
91 2HB CYS 16 1HB CYS 16 -3.953 -10.061 -1.793
92 H THR 17 H THR 17 -4.410 -12.046 -2.099
93 HA THR 17 HA THR 17 -4.719 -14.250 -0.211
94 HB THR 17 HB THR 17 -2.893 -13.957 -2.614
95 HG1 THR 17 1HG THR 17 -5.256 -13.882 -2.880
96 1HG2 THR 17 1HG2 THR 17 -3.782 -16.442 -1.125
97 2HG2 THR 17 2HG2 THR 17 -2.194 -15.694 -0.955
98 3HG2 THR 17 3HG2 THR 17 -2.685 -16.379 -2.505
99 H MET 18 H MET 18 -1.486 -13.927 -1.401
100 HA MET 18 HA MET 18 -0.466 -12.562 0.972
101 1HB MET 18 2HB MET 18 -0.344 -15.555 0.688
102 2HB MET 18 1HB MET 18 0.943 -14.691 1.533
103 1HG MET 18 2HG MET 18 -1.096 -13.523 2.760
104 2HG MET 18 1HG MET 18 -1.943 -14.992 2.276
105 1HE MET 18 1HE MET 18 -2.204 -15.403 5.153
106 2HE MET 18 2HE MET 18 -1.464 -17.002 5.171
107 3HE MET 18 3HE MET 18 -2.365 -16.472 3.752
108 H GLU 19 H GLU 19 -0.039 -11.770 -1.567
109 HA GLU 19 HA GLU 19 2.311 -12.991 -2.767
110 1HB GLU 19 2HB GLU 19 0.508 -10.745 -3.346
111 2HB GLU 19 1HB GLU 19 2.187 -10.418 -3.774
112 1HG GLU 19 2HG GLU 19 1.678 -11.537 -5.690
113 2HG GLU 19 1HG GLU 19 1.896 -12.977 -4.694
114 H TYR 20 H TYR 20 4.472 -12.132 -2.729
115 HA TYR 20 HA TYR 20 5.015 -10.521 -0.290
116 1HB TYR 20 2HB TYR 20 6.217 -12.779 -1.048
117 2HB TYR 20 1HB TYR 20 7.205 -11.633 -1.954
118 HD1 TYR 20 1HD TYR 20 6.707 -13.163 1.221
119 HD2 TYR 20 2HD TYR 20 8.068 -9.543 -0.649
120 HE1 TYR 20 1HE TYR 20 7.940 -12.558 3.286
121 HE2 TYR 20 2HE TYR 20 9.300 -8.938 1.415
122 HH TYR 20 HH TYR 20 10.299 -10.202 3.398
123 H ARG 21 H ARG 21 4.740 -8.421 -0.890
124 HA ARG 21 HA ARG 21 6.677 -7.337 -2.857
125 1HB ARG 21 2HB ARG 21 3.897 -6.190 -2.809
126 2HB ARG 21 1HB ARG 21 5.109 -6.108 -4.083
127 1HG ARG 21 2HG ARG 21 4.047 -8.808 -3.351
128 2HG ARG 21 1HG ARG 21 3.003 -7.731 -4.274
129 1HD ARG 21 2HD ARG 21 4.122 -8.338 -6.127
130 2HD ARG 21 1HD ARG 21 5.539 -7.518 -5.472
131 HE ARG 21 HE ARG 21 5.184 -10.230 -4.445
132 1HH1 ARG 21 1HH2 ARG 21 7.778 -8.682 -4.968
133 2HH1 ARG 21 2HH2 ARG 21 8.432 -9.583 -6.295
134 1HH2 ARG 21 1HH1 ARG 21 5.452 -11.201 -7.010
135 2HH2 ARG 21 2HH1 ARG 21 7.115 -11.007 -7.451
136 HA PRO 22 HA PRO 22 6.771 -4.986 1.022
137 1HB PRO 22 2HB PRO 22 9.460 -4.439 0.849
138 2HB PRO 22 1HB PRO 22 8.800 -5.927 1.549
139 1HG PRO 22 2HG PRO 22 10.122 -5.523 -1.096
140 2HG PRO 22 1HG PRO 22 10.041 -6.981 -0.093
141 1HD PRO 22 2HD PRO 22 8.469 -6.473 -2.384
142 2HD PRO 22 1HD PRO 22 8.156 -7.729 -1.167
143 H LEU 23 H LEU 23 5.818 -3.019 0.623
144 HA LEU 23 HA LEU 23 7.205 -1.146 -1.260
145 1HB LEU 23 2HB LEU 23 4.280 -1.381 -0.493
146 2HB LEU 23 1HB LEU 23 4.938 0.004 -1.375
147 HG LEU 23 HG LEU 23 5.872 -2.375 -2.660
148 1HD1 LEU 23 1HD1 LEU 23 4.095 -3.685 -1.782
149 2HD1 LEU 23 2HD1 LEU 23 3.530 -3.183 -3.375
150 3HD1 LEU 23 3HD1 LEU 23 2.938 -2.361 -1.930
151 1HD2 LEU 23 1HD2 LEU 23 5.308 -1.133 -4.474
152 2HD2 LEU 23 2HD2 LEU 23 4.897 0.132 -3.316
153 3HD2 LEU 23 3HD2 LEU 23 3.643 -0.946 -3.926
154 H CYS 24 H CYS 24 8.038 0.684 -0.305
155 HA CYS 24 HA CYS 24 7.428 1.120 2.559
156 1HB CYS 24 2HB CYS 24 9.777 1.310 1.817
157 2HB CYS 24 1HB CYS 24 9.318 2.577 0.681
158 H GLY 25 H GLY 25 5.689 2.389 3.035
159 1HA GLY 25 2HA GLY 25 4.467 4.073 1.001
160 2HA GLY 25 1HA GLY 25 3.943 3.937 2.682
161 H SER 26 H SER 26 4.468 6.357 0.936
162 HA SER 26 HA SER 26 6.814 7.733 1.633
163 1HB SER 26 2HB SER 26 4.100 8.466 0.784
164 2HB SER 26 1HB SER 26 4.913 9.718 1.717
165 HG SER 26 HG SER 26 5.421 9.903 -0.483
166 H ASP 27 H ASP 27 4.233 6.772 3.710
167 HA ASP 27 HA ASP 27 4.779 8.817 5.744
168 1HB ASP 27 2HB ASP 27 3.068 7.691 7.041
169 2HB ASP 27 1HB ASP 27 2.507 7.811 5.374
170 H ASN 28 H ASN 28 6.840 6.719 4.809
171 HA ASN 28 HA ASN 28 8.577 5.520 5.816
172 1HB ASN 28 2HB ASN 28 8.162 7.676 7.418
173 2HB ASN 28 1HB ASN 28 7.845 6.368 8.559
174 1HD2 ASN 28 1HD2 ASN 28 10.299 8.307 7.900
175 2HD2 ASN 28 2HD2 ASN 28 11.617 7.238 7.974
176 H LYS 29 H LYS 29 6.046 4.198 5.456
177 HA LYS 29 HA LYS 29 6.075 2.381 7.844
178 1HB LYS 29 2HB LYS 29 3.899 3.762 6.649
179 2HB LYS 29 1HB LYS 29 3.689 2.049 6.284
180 1HG LYS 29 2HG LYS 29 4.552 2.594 9.048
181 2HG LYS 29 1HG LYS 29 2.957 3.234 8.651
182 1HD LYS 29 2HD LYS 29 2.258 1.020 7.834
183 2HD LYS 29 1HD LYS 29 3.857 0.373 8.202
184 1HE LYS 29 2HE LYS 29 3.382 1.310 10.607
185 2HE LYS 29 1HE LYS 29 1.696 1.259 10.094
186 1HZ LYS 29 1HZ LYS 29 3.038 -0.822 11.133
187 2HZ LYS 29 2HZ LYS 29 3.213 -1.117 9.468
188 3HZ LYS 29 3HZ LYS 29 1.664 -0.963 10.149
189 H THR 30 H THR 30 5.451 0.077 7.270
190 HA THR 30 HA THR 30 6.641 -0.629 4.620
191 HB THR 30 HB THR 30 6.570 -2.117 7.255
192 HG1 THR 30 1HG THR 30 8.793 -2.008 6.992
193 1HG2 THR 30 1HG2 THR 30 6.503 -4.043 6.094
194 2HG2 THR 30 2HG2 THR 30 8.055 -3.597 5.387
195 3HG2 THR 30 3HG2 THR 30 6.556 -3.178 4.558
196 H TYR 31 H TYR 31 5.353 -1.692 3.179
197 HA TYR 31 HA TYR 31 2.661 -2.557 4.123
198 1HB TYR 31 2HB TYR 31 3.722 -1.480 1.529
199 2HB TYR 31 1HB TYR 31 2.286 -2.498 1.522
200 HD1 TYR 31 1HD TYR 31 3.681 0.328 3.565
201 HD2 TYR 31 2HD TYR 31 0.245 -1.394 1.646
202 HE1 TYR 31 1HE TYR 31 2.308 2.261 4.290
203 HE2 TYR 31 2HE TYR 31 -1.128 0.540 2.370
204 HH TYR 31 HH TYR 31 -0.893 2.291 4.435
205 H GLY 32 H GLY 32 1.919 -4.645 3.564
206 1HA GLY 32 2HA GLY 32 4.009 -6.633 3.166
207 2HA GLY 32 1HA GLY 32 2.280 -6.964 3.304
208 H ASN 33 H ASN 33 1.573 -5.066 1.149
209 HA ASN 33 HA ASN 33 2.964 -5.889 -1.251
210 1HB ASN 33 2HB ASN 33 0.908 -7.110 -2.184
211 2HB ASN 33 1HB ASN 33 1.886 -7.991 -1.008
212 1HD2 ASN 33 1HD2 ASN 33 0.546 -9.074 0.432
213 2HD2 ASN 33 2HD2 ASN 33 -0.901 -8.461 1.070
214 H LYS 34 H LYS 34 1.849 -5.023 -3.204
215 HA LYS 34 HA LYS 34 0.941 -2.362 -2.812
216 1HB LYS 34 2HB LYS 34 1.938 -3.462 -4.933
217 2HB LYS 34 1HB LYS 34 0.288 -3.985 -5.268
218 1HG LYS 34 2HG LYS 34 -0.083 -1.340 -4.630
219 2HG LYS 34 1HG LYS 34 1.476 -1.298 -5.453
220 1HD LYS 34 2HD LYS 34 -0.044 -3.023 -7.019
221 2HD LYS 34 1HD LYS 34 -1.187 -1.760 -6.558
222 1HE LYS 34 2HE LYS 34 -0.012 -0.100 -7.652
223 2HE LYS 34 1HE LYS 34 1.539 -0.914 -7.441
224 1HZ LYS 34 1HZ LYS 34 0.757 -0.962 -9.748
225 2HZ LYS 34 2HZ LYS 34 -0.623 -1.826 -9.261
226 3HZ LYS 34 3HZ LYS 34 0.920 -2.520 -9.099
227 H CYS 35 H CYS 35 -0.725 -5.324 -2.482
228 HA CYS 35 HA CYS 35 -3.364 -4.390 -3.236
229 1HB CYS 35 2HB CYS 35 -2.939 -6.782 -3.124
230 2HB CYS 35 1HB CYS 35 -2.453 -6.657 -1.435
231 H ASN 36 H ASN 36 -1.433 -4.416 -0.298
232 HA ASN 36 HA ASN 36 -3.570 -3.319 1.367
233 1HB ASN 36 2HB ASN 36 -1.151 -4.628 1.851
234 2HB ASN 36 1HB ASN 36 -0.831 -2.965 2.333
235 1HD2 ASN 36 1HD2 ASN 36 -3.647 -5.218 2.635
236 2HD2 ASN 36 2HD2 ASN 36 -3.912 -4.893 4.280
237 H PHE 37 H PHE 37 -1.158 -2.172 -0.799
238 HA PHE 37 HA PHE 37 -0.942 0.511 0.309
239 1HB PHE 37 2HB PHE 37 0.844 -0.571 -1.082
240 2HB PHE 37 1HB PHE 37 -0.238 -0.484 -2.470
241 HD1 PHE 37 1HD PHE 37 -0.695 1.611 -3.586
242 HD2 PHE 37 2HD PHE 37 1.714 1.506 -0.030
243 HE1 PHE 37 1HE PHE 37 0.014 3.951 -3.998
244 HE2 PHE 37 2HE PHE 37 2.421 3.850 -0.442
245 HZ PHE 37 HZ PHE 37 1.572 5.070 -2.426
246 H CYS 38 H CYS 38 -2.805 -1.045 -2.277
247 HA CYS 38 HA CYS 38 -4.024 1.458 -3.144
248 1HB CYS 38 2HB CYS 38 -4.524 -1.458 -3.731
249 2HB CYS 38 1HB CYS 38 -5.650 -0.221 -4.286
250 H CYS 39 H CYS 39 -4.608 -0.900 -0.676
251 HA CYS 39 HA CYS 39 -7.424 -0.184 -0.301
252 1HB CYS 39 2HB CYS 39 -6.467 -2.433 0.315
253 2HB CYS 39 1HB CYS 39 -5.572 -1.637 1.610
254 H ALA 40 H ALA 40 -4.303 0.691 1.077
255 HA ALA 40 HA ALA 40 -5.464 2.340 3.189
256 1HB ALA 40 1HB ALA 40 -3.256 2.797 3.821
257 2HB ALA 40 2HB ALA 40 -2.654 2.670 2.168
258 3HB ALA 40 3HB ALA 40 -3.089 1.213 3.063
259 H VAL 41 H VAL 41 -4.600 2.728 -0.150
260 HA VAL 41 HA VAL 41 -4.510 5.656 -0.038
261 HB VAL 41 HB VAL 41 -4.447 3.623 -2.273
262 1HG1 VAL 41 1HG1 VAL 41 -4.083 5.617 -3.789
263 2HG1 VAL 41 2HG1 VAL 41 -4.639 6.641 -2.466
264 3HG1 VAL 41 3HG1 VAL 41 -5.730 5.455 -3.181
265 1HG2 VAL 41 1HG2 VAL 41 -2.506 5.727 -1.263
266 2HG2 VAL 41 2HG2 VAL 41 -2.216 4.668 -2.645
267 3HG2 VAL 41 3HG2 VAL 41 -2.368 3.984 -1.026
268 H VAL 42 H VAL 42 -6.824 3.146 -0.977
269 HA VAL 42 HA VAL 42 -8.800 5.028 -1.967
270 HB VAL 42 HB VAL 42 -8.937 2.116 -1.151
271 1HG1 VAL 42 1HG1 VAL 42 -11.159 2.479 -0.851
272 2HG1 VAL 42 2HG1 VAL 42 -11.217 2.612 -2.608
273 3HG1 VAL 42 3HG1 VAL 42 -11.095 4.065 -1.617
274 1HG2 VAL 42 1HG2 VAL 42 -7.937 2.109 -3.224
275 2HG2 VAL 42 2HG2 VAL 42 -8.615 3.674 -3.673
276 3HG2 VAL 42 3HG2 VAL 42 -9.613 2.222 -3.756
277 H GLU 43 H GLU 43 -7.863 3.883 1.160
278 HA GLU 43 HA GLU 43 -10.421 4.640 2.415
279 1HB GLU 43 2HB GLU 43 -9.441 3.859 4.470
280 2HB GLU 43 1HB GLU 43 -8.987 2.705 3.215
281 1HG GLU 43 2HG GLU 43 -6.789 3.675 3.014
282 2HG GLU 43 1HG GLU 43 -7.231 5.020 4.066
283 H SER 44 H SER 44 -7.199 5.972 1.933
284 HA SER 44 HA SER 44 -7.745 8.212 3.777
285 1HB SER 44 2HB SER 44 -5.396 7.077 2.464
286 2HB SER 44 1HB SER 44 -5.447 8.832 2.325
287 HG SER 44 HG SER 44 -4.464 7.874 4.293
288 H ASN 45 H ASN 45 -8.684 7.462 0.702
289 HA ASN 45 HA ASN 45 -9.790 8.813 -0.886
290 1HB ASN 45 2HB ASN 45 -10.133 10.343 1.192
291 2HB ASN 45 1HB ASN 45 -8.787 11.272 0.535
292 1HD2 ASN 45 1HD2 ASN 45 -11.484 12.318 0.691
293 2HD2 ASN 45 2HD2 ASN 45 -12.037 12.554 -0.896
294 H GLY 46 H GLY 46 -6.650 8.372 -0.421
295 1HA GLY 46 2HA GLY 46 -5.118 8.442 -2.320
296 2HA GLY 46 1HA GLY 46 -5.940 9.898 -2.879
297 H THR 47 H THR 47 -5.477 9.908 0.487
298 HA THR 47 HA THR 47 -3.527 12.071 0.247
299 HB THR 47 HB THR 47 -4.685 10.718 2.703
300 HG1 THR 47 1HG THR 47 -5.874 12.186 0.935
301 1HG2 THR 47 1HG2 THR 47 -2.541 12.531 2.405
302 2HG2 THR 47 2HG2 THR 47 -3.336 12.041 3.901
303 3HG2 THR 47 3HG2 THR 47 -3.904 13.463 3.025
304 H LEU 48 H LEU 48 -3.421 8.662 0.713
305 HA LEU 48 HA LEU 48 -0.781 8.710 2.028
306 1HB LEU 48 2HB LEU 48 -2.592 6.969 2.486
307 2HB LEU 48 1HB LEU 48 -2.228 6.307 0.893
308 HG LEU 48 HG LEU 48 0.249 6.719 2.248
309 1HD1 LEU 48 1HD1 LEU 48 -0.326 4.915 4.073
310 2HD1 LEU 48 2HD1 LEU 48 -1.963 5.546 3.904
311 3HD1 LEU 48 3HD1 LEU 48 -0.652 6.618 4.397
312 1HD2 LEU 48 1HD2 LEU 48 -1.119 4.769 0.704
313 2HD2 LEU 48 2HD2 LEU 48 -0.581 3.962 2.177
314 3HD2 LEU 48 3HD2 LEU 48 0.588 4.784 1.146
315 H THR 49 H THR 49 1.124 7.756 0.998
316 HA THR 49 HA THR 49 0.972 7.408 -1.941
317 HB THR 49 HB THR 49 3.029 8.927 -2.127
318 HG1 THR 49 1HG THR 49 3.474 10.203 -0.464
319 1HG2 THR 49 1HG2 THR 49 0.445 10.260 -1.291
320 2HG2 THR 49 2HG2 THR 49 0.690 9.499 -2.863
321 3HG2 THR 49 3HG2 THR 49 1.662 10.894 -2.399
322 H LEU 50 H LEU 50 3.684 7.240 -2.464
323 HA LEU 50 HA LEU 50 4.671 5.097 -0.622
324 1HB LEU 50 2HB LEU 50 3.819 3.964 -2.561
325 2HB LEU 50 1HB LEU 50 4.580 5.123 -3.650
326 HG LEU 50 HG LEU 50 6.643 4.114 -1.990
327 1HD1 LEU 50 1HD1 LEU 50 4.605 2.074 -2.809
328 2HD1 LEU 50 2HD1 LEU 50 5.596 2.145 -1.351
329 3HD1 LEU 50 3HD1 LEU 50 6.314 1.639 -2.879
330 1HD2 LEU 50 1HD2 LEU 50 7.257 2.990 -4.256
331 2HD2 LEU 50 2HD2 LEU 50 7.145 4.749 -4.207
332 3HD2 LEU 50 3HD2 LEU 50 5.818 3.799 -4.875
333 H SER 51 H SER 51 6.827 5.351 -0.079
334 HA SER 51 HA SER 51 8.221 7.718 -1.131
335 1HB SER 51 2HB SER 51 8.172 6.335 1.343
336 2HB SER 51 1HB SER 51 9.808 6.182 0.712
337 HG SER 51 HG SER 51 9.490 8.113 1.925
338 H HIS 52 H HIS 52 8.512 4.185 -1.268
339 HA HIS 52 HA HIS 52 10.031 4.186 -3.643
340 1HB HIS 52 2HB HIS 52 12.281 3.735 -2.902
341 2HB HIS 52 1HB HIS 52 11.768 5.224 -2.115
342 HD1 HIS 52 1HD HIS 52 12.624 1.652 -1.425
343 HD2 HIS 52 2HD HIS 52 11.278 4.977 0.699
344 HE1 HIS 52 1HE HIS 52 12.861 1.078 1.030
345 H PHE 53 H PHE 53 9.225 2.295 -4.344
346 HA PHE 53 HA PHE 53 8.169 0.163 -2.946
347 1HB PHE 53 2HB PHE 53 9.938 -0.220 -5.374
348 2HB PHE 53 1HB PHE 53 8.555 -1.191 -4.886
349 HD1 PHE 53 1HD PHE 53 9.504 1.080 -7.254
350 HD2 PHE 53 2HD PHE 53 6.403 0.504 -4.346
351 HE1 PHE 53 1HE PHE 53 7.994 2.537 -8.576
352 HE2 PHE 53 2HE PHE 53 4.891 1.961 -5.664
353 HZ PHE 53 HZ PHE 53 5.687 2.978 -7.781
354 H GLY 54 H GLY 54 9.107 -0.897 -1.236
355 1HA GLY 54 2HA GLY 54 11.135 -2.692 -1.258
356 2HA GLY 54 1HA GLY 54 12.037 -1.182 -1.121
357 H LYS 55 H LYS 55 11.623 -3.445 0.838
358 HA LYS 55 HA LYS 55 9.912 -2.829 2.953
359 1HB LYS 55 2HB LYS 55 11.307 -4.814 3.036
360 2HB LYS 55 1HB LYS 55 12.772 -3.831 3.068
361 1HG LYS 55 2HG LYS 55 12.034 -2.843 5.228
362 2HG LYS 55 1HG LYS 55 10.623 -3.902 5.208
363 1HD LYS 55 2HD LYS 55 12.281 -4.977 6.578
364 2HD LYS 55 1HD LYS 55 12.224 -5.862 5.053
365 1HE LYS 55 2HE LYS 55 14.086 -3.737 4.721
366 2HE LYS 55 1HE LYS 55 14.462 -4.525 6.253
367 1HZ LYS 55 1HZ LYS 55 14.266 -5.769 3.571
368 2HZ LYS 55 2HZ LYS 55 14.304 -6.678 5.006
369 3HZ LYS 55 3HZ LYS 55 15.624 -5.692 4.585
370 H CYS 56 H CYS 56 10.151 -1.517 4.855
371 HA CYS 56 HA CYS 56 12.210 0.633 4.624
372 1HB CYS 56 2HB CYS 56 9.367 0.890 4.449
373 2HB CYS 56 1HB CYS 56 9.896 1.653 5.948
Start of MODEL 7
1 1H ALA 3 1HT ALA 3 5.752 12.968 -10.509
2 2H ALA 3 2HT ALA 3 5.323 12.254 -11.990
3 3H ALA 3 3HT ALA 3 6.448 11.491 -10.969
4 HA ALA 3 HA ALA 3 4.377 11.685 -9.309
5 1HB ALA 3 1HB ALA 3 3.275 12.459 -11.709
6 2HB ALA 3 2HB ALA 3 2.369 11.758 -10.367
7 3HB ALA 3 3HB ALA 3 2.926 10.730 -11.687
8 H VAL 4 H VAL 4 4.061 9.623 -8.481
9 HA VAL 4 HA VAL 4 5.758 7.508 -9.487
10 HB VAL 4 HB VAL 4 4.727 6.151 -7.687
11 1HG1 VAL 4 1HG1 VAL 4 6.286 7.226 -6.464
12 2HG1 VAL 4 2HG1 VAL 4 5.027 8.365 -5.983
13 3HG1 VAL 4 3HG1 VAL 4 6.048 8.716 -7.378
14 1HG2 VAL 4 1HG2 VAL 4 2.803 6.769 -6.577
15 2HG2 VAL 4 2HG2 VAL 4 2.470 7.543 -8.127
16 3HG2 VAL 4 3HG2 VAL 4 3.112 8.493 -6.786
17 H SER 5 H SER 5 4.917 5.329 -10.093
18 HA SER 5 HA SER 5 2.608 5.628 -11.926
19 1HB SER 5 2HB SER 5 3.843 3.018 -11.993
20 2HB SER 5 1HB SER 5 3.765 4.235 -13.264
21 HG SER 5 HG SER 5 5.871 3.500 -11.915
22 H VAL 6 H VAL 6 1.035 5.617 -10.131
23 HA VAL 6 HA VAL 6 0.278 2.843 -9.427
24 HB VAL 6 HB VAL 6 1.732 3.792 -7.569
25 1HG1 VAL 6 1HG1 VAL 6 -0.614 5.419 -6.705
26 2HG1 VAL 6 2HG1 VAL 6 0.417 6.098 -7.964
27 3HG1 VAL 6 3HG1 VAL 6 1.104 5.672 -6.396
28 1HG2 VAL 6 1HG2 VAL 6 -0.138 2.024 -7.352
29 2HG2 VAL 6 2HG2 VAL 6 -1.113 3.323 -6.667
30 3HG2 VAL 6 3HG2 VAL 6 0.382 2.829 -5.872
31 H ASP 7 H ASP 7 -1.872 2.649 -9.813
32 HA ASP 7 HA ASP 7 -3.675 4.920 -9.211
33 1HB ASP 7 2HB ASP 7 -2.939 5.129 -11.619
34 2HB ASP 7 1HB ASP 7 -3.690 3.562 -11.922
35 H CYS 8 H CYS 8 -5.253 4.013 -7.985
36 HA CYS 8 HA CYS 8 -6.340 1.367 -8.824
37 1HB CYS 8 2HB CYS 8 -6.149 1.867 -5.894
38 2HB CYS 8 1HB CYS 8 -6.011 0.355 -6.787
39 H SER 9 H SER 9 -7.740 3.447 -9.582
40 HA SER 9 HA SER 9 -9.524 4.515 -7.535
41 1HB SER 9 2HB SER 9 -8.875 5.127 -10.226
42 2HB SER 9 1HB SER 9 -10.600 4.779 -10.188
43 HG SER 9 HG SER 9 -10.647 6.229 -8.321
44 H GLU 10 H GLU 10 -9.503 1.579 -7.732
45 HA GLU 10 HA GLU 10 -12.289 1.074 -7.551
46 1HB GLU 10 2HB GLU 10 -12.652 -0.277 -9.545
47 2HB GLU 10 1HB GLU 10 -12.125 1.330 -10.045
48 1HG GLU 10 2HG GLU 10 -10.358 0.438 -11.110
49 2HG GLU 10 1HG GLU 10 -9.805 -0.300 -9.606
50 H TYR 11 H TYR 11 -9.735 0.562 -6.188
51 HA TYR 11 HA TYR 11 -9.816 -2.437 -6.225
52 1HB TYR 11 2HB TYR 11 -7.617 -0.691 -6.645
53 2HB TYR 11 1HB TYR 11 -7.376 -1.458 -5.076
54 HD1 TYR 11 1HD TYR 11 -6.550 -3.651 -4.957
55 HD2 TYR 11 2HD TYR 11 -8.309 -2.245 -8.615
56 HE1 TYR 11 1HE TYR 11 -5.875 -5.753 -6.091
57 HE2 TYR 11 2HE TYR 11 -7.635 -4.344 -9.748
58 HH TYR 11 HH TYR 11 -7.013 -6.571 -9.269
59 HA PRO 12 HA PRO 12 -10.798 -0.799 -1.938
60 1HB PRO 12 2HB PRO 12 -13.399 -1.681 -1.839
61 2HB PRO 12 1HB PRO 12 -12.939 -0.061 -2.391
62 1HG PRO 12 2HG PRO 12 -13.797 -2.426 -4.005
63 2HG PRO 12 1HG PRO 12 -13.995 -0.699 -4.351
64 1HD PRO 12 2HD PRO 12 -12.050 -2.365 -5.512
65 2HD PRO 12 1HD PRO 12 -12.008 -0.589 -5.484
66 H LYS 13 H LYS 13 -9.265 -2.666 -1.597
67 HA LYS 13 HA LYS 13 -10.632 -4.895 -0.288
68 1HB LYS 13 2HB LYS 13 -9.132 -6.530 -1.701
69 2HB LYS 13 1HB LYS 13 -10.676 -5.987 -2.359
70 1HG LYS 13 2HG LYS 13 -8.572 -4.084 -2.968
71 2HG LYS 13 1HG LYS 13 -8.147 -5.695 -3.549
72 1HD LYS 13 2HD LYS 13 -10.810 -4.348 -4.081
73 2HD LYS 13 1HD LYS 13 -9.459 -4.348 -5.214
74 1HE LYS 13 2HE LYS 13 -10.304 -6.986 -4.113
75 2HE LYS 13 1HE LYS 13 -11.374 -6.227 -5.290
76 1HZ LYS 13 1HZ LYS 13 -9.902 -6.507 -6.939
77 2HZ LYS 13 2HZ LYS 13 -9.253 -7.715 -5.936
78 3HZ LYS 13 3HZ LYS 13 -8.560 -6.163 -5.961
79 H CYS 14 H CYS 14 -9.473 -4.202 1.563
80 HA CYS 14 HA CYS 14 -6.523 -4.068 1.368
81 1HB CYS 14 2HB CYS 14 -8.174 -3.696 3.870
82 2HB CYS 14 1HB CYS 14 -6.558 -3.079 3.529
83 H ALA 15 H ALA 15 -7.946 -6.641 1.062
84 HA ALA 15 HA ALA 15 -6.658 -8.069 3.351
85 1HB ALA 15 1HB ALA 15 -9.222 -8.905 1.962
86 2HB ALA 15 2HB ALA 15 -9.162 -8.083 3.522
87 3HB ALA 15 3HB ALA 15 -8.467 -9.694 3.348
88 H CYS 16 H CYS 16 -5.010 -7.806 1.372
89 HA CYS 16 HA CYS 16 -5.411 -10.086 -0.510
90 1HB CYS 16 2HB CYS 16 -3.206 -8.055 -0.747
91 2HB CYS 16 1HB CYS 16 -3.971 -9.018 -2.012
92 H THR 17 H THR 17 -3.721 -11.605 -0.794
93 HA THR 17 HA THR 17 -1.319 -11.504 0.860
94 HB THR 17 HB THR 17 -2.824 -12.251 2.592
95 HG1 THR 17 1HG THR 17 -1.464 -13.747 3.094
96 1HG2 THR 17 1HG2 THR 17 -4.519 -13.035 0.747
97 2HG2 THR 17 2HG2 THR 17 -4.505 -13.842 2.315
98 3HG2 THR 17 3HG2 THR 17 -3.707 -14.590 0.930
99 H MET 18 H MET 18 -0.895 -11.655 -1.629
100 HA MET 18 HA MET 18 -0.894 -14.536 -2.436
101 1HB MET 18 2HB MET 18 -0.855 -12.024 -4.134
102 2HB MET 18 1HB MET 18 -0.679 -13.659 -4.773
103 1HG MET 18 2HG MET 18 -2.895 -14.175 -3.559
104 2HG MET 18 1HG MET 18 -3.079 -12.427 -3.417
105 1HE MET 18 1HE MET 18 -4.321 -11.018 -5.798
106 2HE MET 18 2HE MET 18 -2.854 -11.040 -6.775
107 3HE MET 18 3HE MET 18 -2.734 -10.903 -5.023
108 H GLU 19 H GLU 19 0.993 -12.003 -3.967
109 HA GLU 19 HA GLU 19 3.439 -13.558 -3.463
110 1HB GLU 19 2HB GLU 19 2.999 -12.547 -5.692
111 2HB GLU 19 1HB GLU 19 3.059 -10.945 -4.957
112 1HG GLU 19 2HG GLU 19 5.233 -11.487 -5.956
113 2HG GLU 19 1HG GLU 19 5.380 -11.399 -4.201
114 H TYR 20 H TYR 20 5.377 -12.525 -2.547
115 HA TYR 20 HA TYR 20 4.665 -10.775 -0.274
116 1HB TYR 20 2HB TYR 20 6.295 -12.892 -0.342
117 2HB TYR 20 1HB TYR 20 7.475 -11.657 -0.782
118 HD1 TYR 20 1HD TYR 20 7.981 -9.788 0.752
119 HD2 TYR 20 2HD TYR 20 5.291 -12.947 1.861
120 HE1 TYR 20 1HE TYR 20 8.138 -9.088 3.126
121 HE2 TYR 20 2HE TYR 20 5.448 -12.249 4.235
122 HH TYR 20 HH TYR 20 6.359 -9.440 5.265
123 H ARG 21 H ARG 21 4.905 -8.603 -0.434
124 HA ARG 21 HA ARG 21 7.161 -7.493 -1.987
125 1HB ARG 21 2HB ARG 21 4.313 -7.337 -2.807
126 2HB ARG 21 1HB ARG 21 5.214 -5.823 -2.873
127 1HG ARG 21 2HG ARG 21 6.674 -6.600 -4.494
128 2HG ARG 21 1HG ARG 21 6.493 -8.283 -3.998
129 1HD ARG 21 2HD ARG 21 4.521 -6.601 -5.562
130 2HD ARG 21 1HD ARG 21 5.350 -8.063 -6.098
131 HE ARG 21 HE ARG 21 3.947 -8.935 -3.898
132 1HH1 ARG 21 1HH2 ARG 21 3.287 -7.484 -6.943
133 2HH1 ARG 21 2HH2 ARG 21 1.600 -7.881 -6.920
134 1HH2 ARG 21 1HH1 ARG 21 1.704 -9.295 -3.756
135 2HH2 ARG 21 2HH1 ARG 21 0.705 -8.905 -5.116
136 HA PRO 22 HA PRO 22 6.396 -5.169 1.843
137 1HB PRO 22 2HB PRO 22 9.071 -4.781 2.356
138 2HB PRO 22 1HB PRO 22 8.175 -6.224 2.862
139 1HG PRO 22 2HG PRO 22 10.144 -5.919 0.642
140 2HG PRO 22 1HG PRO 22 9.719 -7.364 1.574
141 1HD PRO 22 2HD PRO 22 8.817 -6.757 -1.037
142 2HD PRO 22 1HD PRO 22 8.145 -8.004 0.035
143 H LEU 23 H LEU 23 5.684 -3.158 1.165
144 HA LEU 23 HA LEU 23 7.609 -1.444 -0.358
145 1HB LEU 23 2HB LEU 23 4.667 -0.854 -0.090
146 2HB LEU 23 1HB LEU 23 5.782 -0.348 -1.360
147 HG LEU 23 HG LEU 23 4.736 -3.155 -0.880
148 1HD1 LEU 23 1HD1 LEU 23 3.484 -2.869 -2.850
149 2HD1 LEU 23 2HD1 LEU 23 4.470 -1.509 -3.388
150 3HD1 LEU 23 3HD1 LEU 23 3.330 -1.299 -2.060
151 1HD2 LEU 23 1HD2 LEU 23 6.575 -3.893 -1.954
152 2HD2 LEU 23 2HD2 LEU 23 7.171 -2.241 -2.120
153 3HD2 LEU 23 3HD2 LEU 23 6.111 -2.924 -3.354
154 H CYS 24 H CYS 24 8.410 0.312 0.718
155 HA CYS 24 HA CYS 24 7.349 0.886 3.414
156 1HB CYS 24 2HB CYS 24 9.866 0.786 2.693
157 2HB CYS 24 1HB CYS 24 9.576 2.416 2.087
158 H GLY 25 H GLY 25 5.293 1.784 2.708
159 1HA GLY 25 2HA GLY 25 4.806 3.780 0.850
160 2HA GLY 25 1HA GLY 25 3.949 3.697 2.389
161 H SER 26 H SER 26 4.864 6.097 0.891
162 HA SER 26 HA SER 26 7.162 7.325 1.912
163 1HB SER 26 2HB SER 26 4.462 8.401 1.151
164 2HB SER 26 1HB SER 26 5.699 9.480 1.792
165 HG SER 26 HG SER 26 7.088 8.450 0.123
166 H ASP 27 H ASP 27 4.318 6.421 3.654
167 HA ASP 27 HA ASP 27 4.828 8.289 5.873
168 1HB ASP 27 2HB ASP 27 2.878 7.265 6.906
169 2HB ASP 27 1HB ASP 27 2.511 7.601 5.215
170 H ASN 28 H ASN 28 6.809 6.174 5.035
171 HA ASN 28 HA ASN 28 8.224 4.608 6.051
172 1HB ASN 28 2HB ASN 28 8.163 6.710 7.671
173 2HB ASN 28 1HB ASN 28 7.331 5.578 8.742
174 1HD2 ASN 28 1HD2 ASN 28 8.653 4.173 9.925
175 2HD2 ASN 28 2HD2 ASN 28 10.294 3.885 9.599
176 H LYS 29 H LYS 29 5.621 3.659 5.417
177 HA LYS 29 HA LYS 29 5.081 1.845 7.737
178 1HB LYS 29 2HB LYS 29 3.194 3.350 7.057
179 2HB LYS 29 1HB LYS 29 3.193 2.561 5.480
180 1HG LYS 29 2HG LYS 29 1.756 1.074 6.399
181 2HG LYS 29 1HG LYS 29 3.163 0.424 7.240
182 1HD LYS 29 2HD LYS 29 2.751 1.892 9.147
183 2HD LYS 29 1HD LYS 29 1.402 2.653 8.300
184 1HE LYS 29 2HE LYS 29 -0.009 0.988 8.872
185 2HE LYS 29 1HE LYS 29 1.141 -0.251 8.365
186 1HZ LYS 29 1HZ LYS 29 0.736 0.948 10.994
187 2HZ LYS 29 2HZ LYS 29 2.334 0.566 10.561
188 3HZ LYS 29 3HZ LYS 29 1.144 -0.645 10.581
189 H THR 30 H THR 30 4.847 -0.394 7.301
190 HA THR 30 HA THR 30 6.061 -1.237 4.712
191 HB THR 30 HB THR 30 5.730 -2.713 7.341
192 HG1 THR 30 1HG THR 30 7.477 -1.598 7.684
193 1HG2 THR 30 1HG2 THR 30 5.570 -4.270 5.463
194 2HG2 THR 30 2HG2 THR 30 7.136 -4.455 6.253
195 3HG2 THR 30 3HG2 THR 30 7.016 -3.571 4.732
196 H TYR 31 H TYR 31 4.529 -1.743 3.213
197 HA TYR 31 HA TYR 31 1.920 -2.824 4.070
198 1HB TYR 31 2HB TYR 31 3.040 -1.848 1.437
199 2HB TYR 31 1HB TYR 31 1.470 -2.633 1.557
200 HD1 TYR 31 1HD TYR 31 3.468 0.137 3.084
201 HD2 TYR 31 2HD TYR 31 -0.431 -1.351 2.076
202 HE1 TYR 31 1HE TYR 31 2.458 2.281 3.810
203 HE2 TYR 31 2HE TYR 31 -1.441 0.790 2.808
204 HH TYR 31 HH TYR 31 -1.037 2.871 3.493
205 H GLY 32 H GLY 32 1.177 -4.892 3.397
206 1HA GLY 32 2HA GLY 32 3.190 -6.934 3.203
207 2HA GLY 32 1HA GLY 32 1.458 -7.187 2.983
208 H ASN 33 H ASN 33 1.392 -5.118 0.793
209 HA ASN 33 HA ASN 33 3.167 -5.894 -1.303
210 1HB ASN 33 2HB ASN 33 1.738 -7.328 -2.643
211 2HB ASN 33 1HB ASN 33 1.939 -8.056 -1.050
212 1HD2 ASN 33 1HD2 ASN 33 -0.297 -8.826 -2.517
213 2HD2 ASN 33 2HD2 ASN 33 -1.697 -8.146 -1.843
214 H LYS 34 H LYS 34 2.222 -5.197 -3.488
215 HA LYS 34 HA LYS 34 1.370 -2.503 -3.318
216 1HB LYS 34 2HB LYS 34 2.480 -3.860 -5.278
217 2HB LYS 34 1HB LYS 34 0.809 -4.157 -5.760
218 1HG LYS 34 2HG LYS 34 0.760 -1.467 -5.225
219 2HG LYS 34 1HG LYS 34 2.384 -1.671 -5.885
220 1HD LYS 34 2HD LYS 34 1.114 -1.333 -7.822
221 2HD LYS 34 1HD LYS 34 1.170 -3.093 -7.723
222 1HE LYS 34 2HE LYS 34 -1.037 -1.857 -6.206
223 2HE LYS 34 1HE LYS 34 -1.139 -1.638 -7.953
224 1HZ LYS 34 1HZ LYS 34 -1.772 -3.910 -6.499
225 2HZ LYS 34 2HZ LYS 34 -0.352 -4.283 -7.356
226 3HZ LYS 34 3HZ LYS 34 -1.733 -3.744 -8.186
227 H CYS 35 H CYS 35 -0.473 -5.384 -3.020
228 HA CYS 35 HA CYS 35 -2.971 -4.291 -4.038
229 1HB CYS 35 2HB CYS 35 -2.432 -6.760 -3.789
230 2HB CYS 35 1HB CYS 35 -2.602 -6.540 -2.049
231 H ASN 36 H ASN 36 -1.303 -4.449 -0.952
232 HA ASN 36 HA ASN 36 -3.534 -3.282 0.537
233 1HB ASN 36 2HB ASN 36 -1.290 -4.734 1.240
234 2HB ASN 36 1HB ASN 36 -0.844 -3.100 1.719
235 1HD2 ASN 36 1HD2 ASN 36 -3.823 -5.142 1.860
236 2HD2 ASN 36 2HD2 ASN 36 -4.205 -4.729 3.461
237 H PHE 37 H PHE 37 -0.830 -2.242 -1.334
238 HA PHE 37 HA PHE 37 -0.684 0.465 -0.257
239 1HB PHE 37 2HB PHE 37 1.205 -0.719 -1.462
240 2HB PHE 37 1HB PHE 37 0.274 -0.563 -2.951
241 HD1 PHE 37 1HD PHE 37 -0.203 1.677 -3.909
242 HD2 PHE 37 2HD PHE 37 2.293 1.186 -0.446
243 HE1 PHE 37 1HE PHE 37 0.658 3.983 -4.202
244 HE2 PHE 37 2HE PHE 37 3.153 3.495 -0.739
245 HZ PHE 37 HZ PHE 37 2.335 4.892 -2.618
246 H CYS 38 H CYS 38 -2.369 -1.200 -2.862
247 HA CYS 38 HA CYS 38 -3.433 1.201 -4.093
248 1HB CYS 38 2HB CYS 38 -3.843 -1.736 -4.340
249 2HB CYS 38 1HB CYS 38 -5.207 -0.722 -4.811
250 H CYS 39 H CYS 39 -4.279 -0.832 -1.394
251 HA CYS 39 HA CYS 39 -7.024 0.081 -1.150
252 1HB CYS 39 2HB CYS 39 -5.431 -1.890 0.064
253 2HB CYS 39 1HB CYS 39 -5.827 -0.758 1.358
254 H ALA 40 H ALA 40 -3.938 0.946 0.369
255 HA ALA 40 HA ALA 40 -5.023 2.955 2.114
256 1HB ALA 40 1HB ALA 40 -2.513 1.839 1.688
257 2HB ALA 40 2HB ALA 40 -2.866 3.177 2.781
258 3HB ALA 40 3HB ALA 40 -2.315 3.502 1.138
259 H VAL 41 H VAL 41 -4.190 2.858 -1.253
260 HA VAL 41 HA VAL 41 -4.107 5.739 -1.639
261 HB VAL 41 HB VAL 41 -4.321 3.372 -3.506
262 1HG1 VAL 41 1HG1 VAL 41 -4.459 6.330 -4.121
263 2HG1 VAL 41 2HG1 VAL 41 -5.552 5.055 -4.660
264 3HG1 VAL 41 3HG1 VAL 41 -3.916 5.151 -5.315
265 1HG2 VAL 41 1HG2 VAL 41 -2.158 5.374 -3.731
266 2HG2 VAL 41 2HG2 VAL 41 -2.068 3.612 -3.742
267 3HG2 VAL 41 3HG2 VAL 41 -2.177 4.480 -2.211
268 H VAL 42 H VAL 42 -6.588 3.233 -1.861
269 HA VAL 42 HA VAL 42 -8.560 5.135 -2.934
270 HB VAL 42 HB VAL 42 -8.696 2.226 -2.117
271 1HG1 VAL 42 1HG1 VAL 42 -10.911 4.133 -2.893
272 2HG1 VAL 42 2HG1 VAL 42 -10.844 3.054 -1.501
273 3HG1 VAL 42 3HG1 VAL 42 -11.055 2.390 -3.120
274 1HG2 VAL 42 1HG2 VAL 42 -8.282 1.871 -4.303
275 2HG2 VAL 42 2HG2 VAL 42 -8.016 3.605 -4.490
276 3HG2 VAL 42 3HG2 VAL 42 -9.620 2.925 -4.763
277 H GLU 43 H GLU 43 -7.371 4.306 0.140
278 HA GLU 43 HA GLU 43 -9.902 5.223 1.435
279 1HB GLU 43 2HB GLU 43 -9.200 4.122 3.422
280 2HB GLU 43 1HB GLU 43 -8.817 2.997 2.120
281 1HG GLU 43 2HG GLU 43 -6.702 2.972 2.896
282 2HG GLU 43 1HG GLU 43 -6.553 4.634 2.322
283 H SER 44 H SER 44 -6.805 6.245 0.541
284 HA SER 44 HA SER 44 -6.754 8.325 2.681
285 1HB SER 44 2HB SER 44 -4.440 8.489 2.366
286 2HB SER 44 1HB SER 44 -4.723 6.773 2.083
287 HG SER 44 HG SER 44 -3.873 7.145 0.201
288 H ASN 45 H ASN 45 -7.732 7.862 -0.491
289 HA ASN 45 HA ASN 45 -8.602 9.445 -2.008
290 1HB ASN 45 2HB ASN 45 -8.819 10.849 0.189
291 2HB ASN 45 1HB ASN 45 -7.380 11.678 -0.407
292 1HD2 ASN 45 1HD2 ASN 45 -10.759 10.875 -1.279
293 2HD2 ASN 45 2HD2 ASN 45 -10.939 12.142 -2.394
294 H GLY 46 H GLY 46 -5.702 8.406 -1.765
295 1HA GLY 46 2HA GLY 46 -3.948 8.514 -3.364
296 2HA GLY 46 1HA GLY 46 -4.708 9.949 -4.055
297 H THR 47 H THR 47 -4.474 10.211 -0.698
298 HA THR 47 HA THR 47 -2.427 12.287 -0.945
299 HB THR 47 HB THR 47 -4.421 12.431 0.606
300 HG1 THR 47 1HG THR 47 -3.216 13.753 1.678
301 1HG2 THR 47 1HG2 THR 47 -4.292 10.056 1.360
302 2HG2 THR 47 2HG2 THR 47 -4.336 11.197 2.704
303 3HG2 THR 47 3HG2 THR 47 -2.811 10.446 2.233
304 H LEU 48 H LEU 48 -2.612 8.968 0.179
305 HA LEU 48 HA LEU 48 0.003 9.002 1.470
306 1HB LEU 48 2HB LEU 48 -1.669 7.375 2.187
307 2HB LEU 48 1HB LEU 48 -1.769 6.715 0.554
308 HG LEU 48 HG LEU 48 0.950 6.817 1.728
309 1HD1 LEU 48 1HD1 LEU 48 -0.905 6.024 3.496
310 2HD1 LEU 48 2HD1 LEU 48 0.670 5.240 3.383
311 3HD1 LEU 48 3HD1 LEU 48 -0.734 4.515 2.599
312 1HD2 LEU 48 1HD2 LEU 48 1.231 4.837 0.465
313 2HD2 LEU 48 2HD2 LEU 48 0.127 5.803 -0.516
314 3HD2 LEU 48 3HD2 LEU 48 -0.497 4.484 0.474
315 H THR 49 H THR 49 1.921 7.928 0.602
316 HA THR 49 HA THR 49 1.830 7.416 -2.328
317 HB THR 49 HB THR 49 3.877 8.757 -2.650
318 HG1 THR 49 1HG THR 49 4.513 10.100 -0.900
319 1HG2 THR 49 1HG2 THR 49 2.717 10.714 -2.884
320 2HG2 THR 49 2HG2 THR 49 2.086 10.658 -1.238
321 3HG2 THR 49 3HG2 THR 49 1.349 9.670 -2.499
322 H LEU 50 H LEU 50 4.632 7.106 -2.584
323 HA LEU 50 HA LEU 50 5.102 4.636 -0.971
324 1HB LEU 50 2HB LEU 50 4.723 4.124 -3.321
325 2HB LEU 50 1HB LEU 50 5.882 5.354 -3.815
326 HG LEU 50 HG LEU 50 7.529 3.941 -2.290
327 1HD1 LEU 50 1HD1 LEU 50 6.970 1.495 -2.575
328 2HD1 LEU 50 2HD1 LEU 50 5.355 1.986 -3.087
329 3HD1 LEU 50 3HD1 LEU 50 5.910 2.347 -1.453
330 1HD2 LEU 50 1HD2 LEU 50 8.175 4.130 -4.509
331 2HD2 LEU 50 2HD2 LEU 50 6.620 3.565 -5.117
332 3HD2 LEU 50 3HD2 LEU 50 7.780 2.412 -4.457
333 H SER 51 H SER 51 7.314 4.286 -0.291
334 HA SER 51 HA SER 51 8.977 6.773 -0.360
335 1HB SER 51 2HB SER 51 7.992 5.654 1.880
336 2HB SER 51 1HB SER 51 9.465 4.703 1.725
337 HG SER 51 HG SER 51 10.624 6.426 2.137
338 H HIS 52 H HIS 52 9.133 3.198 -0.339
339 HA HIS 52 HA HIS 52 11.095 3.047 -2.373
340 1HB HIS 52 2HB HIS 52 13.129 2.568 -1.122
341 2HB HIS 52 1HB HIS 52 12.534 4.161 -0.656
342 HD1 HIS 52 1HD HIS 52 13.180 0.750 0.666
343 HD2 HIS 52 2HD HIS 52 11.290 4.231 1.966
344 HE1 HIS 52 1HE HIS 52 12.811 0.479 3.157
345 H PHE 53 H PHE 53 10.221 1.147 -3.088
346 HA PHE 53 HA PHE 53 8.976 -0.894 -1.717
347 1HB PHE 53 2HB PHE 53 10.937 -1.226 -4.009
348 2HB PHE 53 1HB PHE 53 9.728 -2.404 -3.519
349 HD1 PHE 53 1HD PHE 53 10.186 -0.625 -6.178
350 HD2 PHE 53 2HD PHE 53 7.456 -0.545 -2.862
351 HE1 PHE 53 1HE PHE 53 8.498 0.510 -7.596
352 HE2 PHE 53 2HE PHE 53 5.769 0.592 -4.280
353 HZ PHE 53 HZ PHE 53 6.289 1.120 -6.647
354 H GLY 54 H GLY 54 9.766 -1.665 0.232
355 1HA GLY 54 2HA GLY 54 11.694 -3.603 0.486
356 2HA GLY 54 1HA GLY 54 12.630 -2.114 0.632
357 H LYS 55 H LYS 55 11.994 -4.212 2.684
358 HA LYS 55 HA LYS 55 10.071 -3.487 4.562
359 1HB LYS 55 2HB LYS 55 12.343 -5.132 4.551
360 2HB LYS 55 1HB LYS 55 12.603 -4.017 5.893
361 1HG LYS 55 2HG LYS 55 10.585 -4.655 6.962
362 2HG LYS 55 1HG LYS 55 9.965 -5.436 5.506
363 1HD LYS 55 2HD LYS 55 11.944 -7.041 5.690
364 2HD LYS 55 1HD LYS 55 12.210 -6.377 7.302
365 1HE LYS 55 2HE LYS 55 10.800 -8.106 7.870
366 2HE LYS 55 1HE LYS 55 9.586 -6.879 7.512
367 1HZ LYS 55 1HZ LYS 55 9.625 -9.280 6.377
368 2HZ LYS 55 2HZ LYS 55 10.547 -8.413 5.245
369 3HZ LYS 55 3HZ LYS 55 8.971 -7.906 5.627
370 H CYS 56 H CYS 56 9.776 -1.756 5.924
371 HA CYS 56 HA CYS 56 11.367 0.623 5.555
372 1HB CYS 56 2HB CYS 56 9.305 -0.081 7.665
373 2HB CYS 56 1HB CYS 56 9.989 1.529 7.434
Start of MODEL 8
1 1H ALA 3 1HT ALA 3 9.043 7.464 -9.331
2 2H ALA 3 2HT ALA 3 10.038 6.931 -10.602
3 3H ALA 3 3HT ALA 3 10.692 7.178 -9.053
4 HA ALA 3 HA ALA 3 9.436 4.866 -10.131
5 1HB ALA 3 1HB ALA 3 11.450 4.467 -9.049
6 2HB ALA 3 2HB ALA 3 10.317 4.088 -7.753
7 3HB ALA 3 3HB ALA 3 11.126 5.654 -7.787
8 H VAL 4 H VAL 4 7.280 6.491 -9.755
9 HA VAL 4 HA VAL 4 5.977 5.274 -7.357
10 HB VAL 4 HB VAL 4 4.668 7.377 -7.107
11 1HG1 VAL 4 1HG1 VAL 4 7.498 7.008 -6.599
12 2HG1 VAL 4 2HG1 VAL 4 6.285 7.805 -5.596
13 3HG1 VAL 4 3HG1 VAL 4 7.134 8.717 -6.845
14 1HG2 VAL 4 1HG2 VAL 4 5.411 7.894 -9.668
15 2HG2 VAL 4 2HG2 VAL 4 6.592 8.876 -8.801
16 3HG2 VAL 4 3HG2 VAL 4 4.867 9.145 -8.550
17 H SER 5 H SER 5 5.486 3.732 -9.279
18 HA SER 5 HA SER 5 3.264 4.768 -10.968
19 1HB SER 5 2HB SER 5 3.564 2.569 -12.175
20 2HB SER 5 1HB SER 5 4.976 3.621 -12.222
21 HG SER 5 HG SER 5 5.569 1.510 -11.648
22 H VAL 6 H VAL 6 1.464 4.686 -9.620
23 HA VAL 6 HA VAL 6 0.573 1.962 -8.847
24 HB VAL 6 HB VAL 6 1.591 2.832 -6.809
25 1HG1 VAL 6 1HG1 VAL 6 0.356 5.306 -7.769
26 2HG1 VAL 6 2HG1 VAL 6 1.707 5.087 -6.658
27 3HG1 VAL 6 3HG1 VAL 6 0.050 5.015 -6.058
28 1HG2 VAL 6 1HG2 VAL 6 -0.143 2.129 -5.526
29 2HG2 VAL 6 2HG2 VAL 6 -1.026 1.959 -7.043
30 3HG2 VAL 6 3HG2 VAL 6 -1.191 3.432 -6.087
31 H ASP 7 H ASP 7 -1.658 1.722 -9.051
32 HA ASP 7 HA ASP 7 -3.301 4.161 -9.452
33 1HB ASP 7 2HB ASP 7 -4.339 2.878 -11.473
34 2HB ASP 7 1HB ASP 7 -2.817 3.736 -11.713
35 H CYS 8 H CYS 8 -5.143 3.923 -8.289
36 HA CYS 8 HA CYS 8 -6.212 1.161 -7.904
37 1HB CYS 8 2HB CYS 8 -6.514 3.197 -5.723
38 2HB CYS 8 1HB CYS 8 -6.478 1.438 -5.609
39 H SER 9 H SER 9 -7.011 3.133 -9.843
40 HA SER 9 HA SER 9 -9.147 4.798 -9.212
41 1HB SER 9 2HB SER 9 -8.103 4.345 -11.515
42 2HB SER 9 1HB SER 9 -9.193 2.965 -11.617
43 HG SER 9 HG SER 9 -9.866 5.705 -11.284
44 H GLU 10 H GLU 10 -10.335 3.885 -7.489
45 HA GLU 10 HA GLU 10 -12.171 2.726 -6.584
46 1HB GLU 10 2HB GLU 10 -12.592 2.615 -9.517
47 2HB GLU 10 1HB GLU 10 -13.439 1.382 -8.585
48 1HG GLU 10 2HG GLU 10 -13.752 3.792 -7.147
49 2HG GLU 10 1HG GLU 10 -14.049 4.193 -8.839
50 H TYR 11 H TYR 11 -10.077 1.426 -5.903
51 HA TYR 11 HA TYR 11 -10.651 -1.416 -6.545
52 1HB TYR 11 2HB TYR 11 -8.798 -0.605 -8.048
53 2HB TYR 11 1HB TYR 11 -7.843 -0.281 -6.601
54 HD1 TYR 11 1HD TYR 11 -9.674 -2.982 -8.416
55 HD2 TYR 11 2HD TYR 11 -6.664 -2.015 -5.510
56 HE1 TYR 11 1HE TYR 11 -8.994 -5.365 -8.328
57 HE2 TYR 11 2HE TYR 11 -5.981 -4.398 -5.424
58 HH TYR 11 HH TYR 11 -6.122 -6.393 -6.643
59 HA PRO 12 HA PRO 12 -9.754 -0.538 -2.066
60 1HB PRO 12 2HB PRO 12 -12.235 -1.303 -1.147
61 2HB PRO 12 1HB PRO 12 -11.825 0.363 -1.594
62 1HG PRO 12 2HG PRO 12 -13.464 -1.634 -3.090
63 2HG PRO 12 1HG PRO 12 -13.551 0.136 -3.115
64 1HD PRO 12 2HD PRO 12 -12.339 -1.471 -5.091
65 2HD PRO 12 1HD PRO 12 -12.107 0.280 -4.894
66 H LYS 13 H LYS 13 -8.712 -2.243 -1.108
67 HA LYS 13 HA LYS 13 -9.940 -4.835 -0.781
68 1HB LYS 13 2HB LYS 13 -8.451 -4.360 -3.212
69 2HB LYS 13 1HB LYS 13 -7.636 -5.580 -2.231
70 1HG LYS 13 2HG LYS 13 -9.382 -7.066 -2.381
71 2HG LYS 13 1HG LYS 13 -10.595 -5.790 -2.483
72 1HD LYS 13 2HD LYS 13 -9.972 -5.318 -4.790
73 2HD LYS 13 1HD LYS 13 -8.653 -6.487 -4.705
74 1HE LYS 13 2HE LYS 13 -11.540 -7.250 -4.219
75 2HE LYS 13 1HE LYS 13 -10.794 -7.322 -5.814
76 1HZ LYS 13 1HZ LYS 13 -10.530 -9.445 -4.897
77 2HZ LYS 13 2HZ LYS 13 -10.058 -8.838 -3.381
78 3HZ LYS 13 3HZ LYS 13 -9.013 -8.707 -4.715
79 H CYS 14 H CYS 14 -9.282 -4.698 1.362
80 HA CYS 14 HA CYS 14 -6.343 -4.469 1.849
81 1HB CYS 14 2HB CYS 14 -8.481 -4.203 3.960
82 2HB CYS 14 1HB CYS 14 -6.830 -3.582 3.983
83 H ALA 15 H ALA 15 -7.297 -6.924 0.942
84 HA ALA 15 HA ALA 15 -6.783 -8.604 3.330
85 1HB ALA 15 1HB ALA 15 -9.188 -8.626 3.265
86 2HB ALA 15 2HB ALA 15 -8.649 -10.159 2.579
87 3HB ALA 15 3HB ALA 15 -9.198 -8.862 1.517
88 H CYS 16 H CYS 16 -4.849 -8.204 1.538
89 HA CYS 16 HA CYS 16 -4.938 -10.606 -0.246
90 1HB CYS 16 2HB CYS 16 -3.419 -8.008 -0.632
91 2HB CYS 16 1HB CYS 16 -3.312 -9.413 -1.692
92 H THR 17 H THR 17 -2.999 -11.863 -0.349
93 HA THR 17 HA THR 17 -0.692 -11.144 1.299
94 HB THR 17 HB THR 17 -2.328 -12.019 2.981
95 HG1 THR 17 1HG THR 17 -0.172 -12.339 3.404
96 1HG2 THR 17 1HG2 THR 17 -2.062 -14.801 2.163
97 2HG2 THR 17 2HG2 THR 17 -2.921 -13.843 0.957
98 3HG2 THR 17 3HG2 THR 17 -3.510 -13.903 2.618
99 H MET 18 H MET 18 -1.439 -12.022 -1.492
100 HA MET 18 HA MET 18 0.130 -14.552 -1.635
101 1HB MET 18 2HB MET 18 -1.341 -13.337 -3.960
102 2HB MET 18 1HB MET 18 -0.952 -15.031 -3.660
103 1HG MET 18 2HG MET 18 -2.615 -15.214 -1.956
104 2HG MET 18 1HG MET 18 -2.830 -13.466 -1.881
105 1HE MET 18 1HE MET 18 -5.533 -13.655 -2.201
106 2HE MET 18 2HE MET 18 -5.803 -12.929 -3.784
107 3HE MET 18 3HE MET 18 -4.504 -12.330 -2.758
108 H GLU 19 H GLU 19 -0.253 -11.553 -3.534
109 HA GLU 19 HA GLU 19 2.249 -11.796 -4.889
110 1HB GLU 19 2HB GLU 19 0.187 -10.187 -5.286
111 2HB GLU 19 1HB GLU 19 1.105 -9.100 -4.242
112 1HG GLU 19 2HG GLU 19 2.110 -8.494 -6.201
113 2HG GLU 19 1HG GLU 19 3.074 -9.944 -5.917
114 H TYR 20 H TYR 20 4.305 -10.963 -4.376
115 HA TYR 20 HA TYR 20 4.622 -10.115 -1.527
116 1HB TYR 20 2HB TYR 20 5.835 -12.203 -2.639
117 2HB TYR 20 1HB TYR 20 6.944 -10.954 -3.205
118 HD1 TYR 20 1HD TYR 20 6.069 -13.061 -0.464
119 HD2 TYR 20 2HD TYR 20 7.797 -9.249 -1.428
120 HE1 TYR 20 1HE TYR 20 7.136 -12.979 1.772
121 HE2 TYR 20 2HE TYR 20 8.863 -9.168 0.810
122 HH TYR 20 HH TYR 20 9.097 -10.173 2.772
123 H ARG 21 H ARG 21 4.882 -7.970 -1.326
124 HA ARG 21 HA ARG 21 6.914 -6.550 -2.841
125 1HB ARG 21 2HB ARG 21 4.196 -6.540 -3.820
126 2HB ARG 21 1HB ARG 21 4.653 -4.917 -3.303
127 1HG ARG 21 2HG ARG 21 6.022 -4.658 -5.074
128 2HG ARG 21 1HG ARG 21 6.822 -6.196 -4.749
129 1HD ARG 21 2HD ARG 21 4.097 -6.057 -6.044
130 2HD ARG 21 1HD ARG 21 5.584 -6.000 -6.990
131 HE ARG 21 HE ARG 21 4.705 -8.321 -5.336
132 1HH1 ARG 21 1HH2 ARG 21 7.647 -7.313 -6.281
133 2HH1 ARG 21 2HH2 ARG 21 7.963 -8.571 -7.429
134 1HH2 ARG 21 1HH1 ARG 21 4.704 -9.755 -7.428
135 2HH2 ARG 21 2HH1 ARG 21 6.297 -9.954 -8.077
136 HA PRO 22 HA PRO 22 6.061 -4.853 1.312
137 1HB PRO 22 2HB PRO 22 8.719 -4.678 1.993
138 2HB PRO 22 1HB PRO 22 7.741 -6.135 2.235
139 1HG PRO 22 2HG PRO 22 9.825 -5.594 0.168
140 2HG PRO 22 1HG PRO 22 9.305 -7.141 0.861
141 1HD PRO 22 2HD PRO 22 8.548 -6.131 -1.668
142 2HD PRO 22 1HD PRO 22 7.772 -7.479 -0.811
143 H LEU 23 H LEU 23 5.374 -2.814 0.396
144 HA LEU 23 HA LEU 23 7.516 -0.999 -0.582
145 1HB LEU 23 2HB LEU 23 4.576 -0.334 -0.450
146 2HB LEU 23 1HB LEU 23 5.802 0.348 -1.522
147 HG LEU 23 HG LEU 23 4.583 -2.429 -1.610
148 1HD1 LEU 23 1HD1 LEU 23 4.042 0.039 -2.916
149 2HD1 LEU 23 2HD1 LEU 23 3.314 -1.534 -3.237
150 3HD1 LEU 23 3HD1 LEU 23 4.760 -1.036 -4.116
151 1HD2 LEU 23 1HD2 LEU 23 6.388 -1.973 -3.778
152 2HD2 LEU 23 2HD2 LEU 23 6.481 -3.218 -2.532
153 3HD2 LEU 23 3HD2 LEU 23 7.261 -1.657 -2.280
154 H CYS 24 H CYS 24 8.253 0.689 0.633
155 HA CYS 24 HA CYS 24 7.116 1.012 3.346
156 1HB CYS 24 2HB CYS 24 9.640 1.842 1.963
157 2HB CYS 24 1HB CYS 24 9.079 2.825 3.316
158 H GLY 25 H GLY 25 5.086 1.951 2.613
159 1HA GLY 25 2HA GLY 25 4.682 4.066 0.872
160 2HA GLY 25 1HA GLY 25 3.714 3.837 2.325
161 H SER 26 H SER 26 4.560 6.345 1.105
162 HA SER 26 HA SER 26 6.717 7.654 2.331
163 1HB SER 26 2HB SER 26 5.086 8.563 0.584
164 2HB SER 26 1HB SER 26 4.017 8.945 1.930
165 HG SER 26 HG SER 26 5.804 10.498 1.068
166 H ASP 27 H ASP 27 3.844 6.454 3.827
167 HA ASP 27 HA ASP 27 4.063 8.242 6.155
168 1HB ASP 27 2HB ASP 27 2.178 6.902 7.043
169 2HB ASP 27 1HB ASP 27 1.844 7.490 5.415
170 H ASN 28 H ASN 28 6.236 6.267 5.333
171 HA ASN 28 HA ASN 28 7.742 4.835 6.416
172 1HB ASN 28 2HB ASN 28 7.609 6.732 8.092
173 2HB ASN 28 1HB ASN 28 6.392 5.789 8.954
174 1HD2 ASN 28 1HD2 ASN 28 9.762 5.485 7.701
175 2HD2 ASN 28 2HD2 ASN 28 10.282 4.440 8.933
176 H LYS 29 H LYS 29 5.185 3.766 5.550
177 HA LYS 29 HA LYS 29 4.783 1.659 7.640
178 1HB LYS 29 2HB LYS 29 2.858 3.302 6.644
179 2HB LYS 29 1HB LYS 29 2.745 1.953 5.513
180 1HG LYS 29 2HG LYS 29 2.869 0.526 7.758
181 2HG LYS 29 1HG LYS 29 2.215 2.010 8.455
182 1HD LYS 29 2HD LYS 29 0.258 1.906 7.170
183 2HD LYS 29 1HD LYS 29 0.991 0.843 5.967
184 1HE LYS 29 2HE LYS 29 0.138 -0.925 7.066
185 2HE LYS 29 1HE LYS 29 1.151 -0.516 8.450
186 1HZ LYS 29 1HZ LYS 29 -1.524 -0.529 8.492
187 2HZ LYS 29 2HZ LYS 29 -1.221 1.108 8.150
188 3HZ LYS 29 3HZ LYS 29 -0.561 0.392 9.542
189 H THR 30 H THR 30 4.610 -0.539 6.879
190 HA THR 30 HA THR 30 5.784 -0.915 4.151
191 HB THR 30 HB THR 30 6.043 -2.627 6.642
192 HG1 THR 30 1HG THR 30 7.938 -1.731 6.793
193 1HG2 THR 30 1HG2 THR 30 7.374 -4.143 5.300
194 2HG2 THR 30 2HG2 THR 30 7.220 -3.095 3.889
195 3HG2 THR 30 3HG2 THR 30 5.807 -3.945 4.516
196 H TYR 31 H TYR 31 4.179 -1.548 2.785
197 HA TYR 31 HA TYR 31 1.876 -3.057 3.824
198 1HB TYR 31 2HB TYR 31 2.540 -1.980 1.070
199 2HB TYR 31 1HB TYR 31 1.027 -2.767 1.499
200 HD1 TYR 31 1HD TYR 31 2.859 0.318 1.488
201 HD2 TYR 31 2HD TYR 31 -0.344 -1.774 3.440
202 HE1 TYR 31 1HE TYR 31 1.996 2.466 2.375
203 HE2 TYR 31 2HE TYR 31 -1.208 0.374 4.327
204 HH TYR 31 HH TYR 31 -0.202 2.679 4.859
205 H GLY 32 H GLY 32 1.464 -5.200 3.332
206 1HA GLY 32 2HA GLY 32 3.654 -6.925 2.756
207 2HA GLY 32 1HA GLY 32 1.961 -7.411 2.738
208 H ASN 33 H ASN 33 1.344 -5.345 0.631
209 HA ASN 33 HA ASN 33 2.949 -6.006 -1.683
210 1HB ASN 33 2HB ASN 33 1.015 -7.224 -2.847
211 2HB ASN 33 1HB ASN 33 1.903 -8.144 -1.631
212 1HD2 ASN 33 1HD2 ASN 33 0.315 -9.427 -0.639
213 2HD2 ASN 33 2HD2 ASN 33 -1.137 -8.828 0.005
214 H LYS 34 H LYS 34 1.737 -5.248 -3.721
215 HA LYS 34 HA LYS 34 0.915 -2.557 -3.378
216 1HB LYS 34 2HB LYS 34 1.792 -3.873 -5.497
217 2HB LYS 34 1HB LYS 34 0.069 -4.112 -5.796
218 1HG LYS 34 2HG LYS 34 0.524 -1.375 -5.037
219 2HG LYS 34 1HG LYS 34 1.617 -1.799 -6.355
220 1HD LYS 34 2HD LYS 34 -1.400 -2.063 -6.314
221 2HD LYS 34 1HD LYS 34 -0.429 -1.027 -7.361
222 1HE LYS 34 2HE LYS 34 0.514 -3.717 -7.633
223 2HE LYS 34 1HE LYS 34 -1.238 -3.720 -7.827
224 1HZ LYS 34 1HZ LYS 34 -1.116 -2.177 -9.563
225 2HZ LYS 34 2HZ LYS 34 0.136 -3.279 -9.885
226 3HZ LYS 34 3HZ LYS 34 0.490 -1.759 -9.213
227 H CYS 35 H CYS 35 -0.847 -5.431 -2.859
228 HA CYS 35 HA CYS 35 -3.458 -4.349 -3.591
229 1HB CYS 35 2HB CYS 35 -3.082 -6.794 -3.494
230 2HB CYS 35 1HB CYS 35 -2.744 -6.668 -1.768
231 H ASN 36 H ASN 36 -1.431 -4.508 -0.729
232 HA ASN 36 HA ASN 36 -3.485 -3.342 1.009
233 1HB ASN 36 2HB ASN 36 -1.172 -4.839 1.424
234 2HB ASN 36 1HB ASN 36 -0.722 -3.222 1.960
235 1HD2 ASN 36 1HD2 ASN 36 -3.282 -5.707 2.383
236 2HD2 ASN 36 2HD2 ASN 36 -3.696 -5.234 3.959
237 H PHE 37 H PHE 37 -0.899 -2.307 -1.058
238 HA PHE 37 HA PHE 37 -0.599 0.342 0.107
239 1HB PHE 37 2HB PHE 37 1.172 -0.811 -1.284
240 2HB PHE 37 1HB PHE 37 0.132 -0.586 -2.690
241 HD1 PHE 37 1HD PHE 37 -0.113 1.553 -3.748
242 HD2 PHE 37 2HD PHE 37 2.063 1.201 -0.061
243 HE1 PHE 37 1HE PHE 37 0.719 3.873 -4.019
244 HE2 PHE 37 2HE PHE 37 2.898 3.528 -0.330
245 HZ PHE 37 HZ PHE 37 2.223 4.859 -2.312
246 H CYS 38 H CYS 38 -2.367 -1.053 -2.638
247 HA CYS 38 HA CYS 38 -3.480 1.483 -3.495
248 1HB CYS 38 2HB CYS 38 -3.666 -1.327 -4.296
249 2HB CYS 38 1HB CYS 38 -5.222 -0.505 -4.381
250 H CYS 39 H CYS 39 -4.253 -0.874 -1.069
251 HA CYS 39 HA CYS 39 -7.032 -0.064 -0.754
252 1HB CYS 39 2HB CYS 39 -6.852 -2.153 0.181
253 2HB CYS 39 1HB CYS 39 -5.150 -1.937 0.571
254 H ALA 40 H ALA 40 -3.974 0.636 0.915
255 HA ALA 40 HA ALA 40 -5.140 2.461 2.818
256 1HB ALA 40 1HB ALA 40 -2.569 3.319 2.626
257 2HB ALA 40 2HB ALA 40 -2.409 1.700 1.944
258 3HB ALA 40 3HB ALA 40 -3.051 1.912 3.573
259 H VAL 41 H VAL 41 -3.989 2.745 -0.475
260 HA VAL 41 HA VAL 41 -3.938 5.652 -0.493
261 HB VAL 41 HB VAL 41 -4.010 3.599 -2.723
262 1HG1 VAL 41 1HG1 VAL 41 -4.750 6.287 -2.903
263 2HG1 VAL 41 2HG1 VAL 41 -4.248 5.253 -4.241
264 3HG1 VAL 41 3HG1 VAL 41 -3.065 6.268 -3.419
265 1HG2 VAL 41 1HG2 VAL 41 -1.807 3.454 -2.267
266 2HG2 VAL 41 2HG2 VAL 41 -1.948 4.694 -1.022
267 3HG2 VAL 41 3HG2 VAL 41 -1.645 5.155 -2.698
268 H VAL 42 H VAL 42 -6.294 3.151 -1.328
269 HA VAL 42 HA VAL 42 -8.237 4.904 -2.500
270 HB VAL 42 HB VAL 42 -8.322 2.160 -1.260
271 1HG1 VAL 42 1HG1 VAL 42 -10.777 2.100 -1.837
272 2HG1 VAL 42 2HG1 VAL 42 -10.718 3.853 -2.013
273 3HG1 VAL 42 3HG1 VAL 42 -10.386 3.112 -0.448
274 1HG2 VAL 42 1HG2 VAL 42 -7.962 3.206 -3.832
275 2HG2 VAL 42 2HG2 VAL 42 -9.617 2.597 -3.827
276 3HG2 VAL 42 3HG2 VAL 42 -8.280 1.521 -3.420
277 H GLU 43 H GLU 43 -7.396 4.081 0.809
278 HA GLU 43 HA GLU 43 -9.738 5.198 2.059
279 1HB GLU 43 2HB GLU 43 -6.928 4.608 2.990
280 2HB GLU 43 1HB GLU 43 -8.060 5.460 4.040
281 1HG GLU 43 2HG GLU 43 -9.119 3.024 2.724
282 2HG GLU 43 1HG GLU 43 -7.873 2.755 3.942
283 H SER 44 H SER 44 -6.598 6.523 1.083
284 HA SER 44 HA SER 44 -7.408 9.217 2.005
285 1HB SER 44 2HB SER 44 -4.912 7.871 1.566
286 2HB SER 44 1HB SER 44 -4.968 9.301 0.540
287 HG SER 44 HG SER 44 -5.692 10.424 2.499
288 H ASN 45 H ASN 45 -7.958 7.339 -0.662
289 HA ASN 45 HA ASN 45 -8.853 7.868 -2.760
290 1HB ASN 45 2HB ASN 45 -9.341 10.147 -1.162
291 2HB ASN 45 1HB ASN 45 -8.702 10.743 -2.694
292 1HD2 ASN 45 1HD2 ASN 45 -11.086 8.297 -1.514
293 2HD2 ASN 45 2HD2 ASN 45 -12.201 8.570 -2.764
294 H GLY 46 H GLY 46 -5.813 8.173 -1.904
295 1HA GLY 46 2HA GLY 46 -4.142 7.997 -3.745
296 2HA GLY 46 1HA GLY 46 -4.995 9.317 -4.545
297 H THR 47 H THR 47 -4.918 9.854 -1.231
298 HA THR 47 HA THR 47 -3.023 12.040 -1.549
299 HB THR 47 HB THR 47 -4.211 11.034 1.039
300 HG1 THR 47 1HG THR 47 -5.426 13.020 -0.505
301 1HG2 THR 47 1HG2 THR 47 -4.182 13.597 1.390
302 2HG2 THR 47 2HG2 THR 47 -3.088 13.624 0.006
303 3HG2 THR 47 3HG2 THR 47 -2.647 12.733 1.463
304 H LEU 48 H LEU 48 -3.087 8.903 0.103
305 HA LEU 48 HA LEU 48 -0.616 9.129 1.482
306 1HB LEU 48 2HB LEU 48 -2.444 7.218 1.465
307 2HB LEU 48 1HB LEU 48 -1.414 6.527 0.213
308 HG LEU 48 HG LEU 48 0.500 6.530 1.709
309 1HD1 LEU 48 1HD1 LEU 48 -0.044 7.178 4.179
310 2HD1 LEU 48 2HD1 LEU 48 -1.374 8.095 3.471
311 3HD1 LEU 48 3HD1 LEU 48 0.290 8.466 3.022
312 1HD2 LEU 48 1HD2 LEU 48 -1.334 4.718 1.857
313 2HD2 LEU 48 2HD2 LEU 48 -1.819 5.512 3.355
314 3HD2 LEU 48 3HD2 LEU 48 -0.202 4.826 3.206
315 H THR 49 H THR 49 1.523 8.457 0.845
316 HA THR 49 HA THR 49 1.900 8.294 -2.117
317 HB THR 49 HB THR 49 4.154 9.474 -1.500
318 HG1 THR 49 1HG THR 49 2.579 10.691 0.447
319 1HG2 THR 49 1HG2 THR 49 2.169 10.343 -2.857
320 2HG2 THR 49 2HG2 THR 49 3.183 11.562 -2.086
321 3HG2 THR 49 3HG2 THR 49 1.634 11.123 -1.368
322 H LEU 50 H LEU 50 4.627 7.852 -2.135
323 HA LEU 50 HA LEU 50 4.989 5.327 -0.569
324 1HB LEU 50 2HB LEU 50 4.441 4.729 -2.867
325 2HB LEU 50 1HB LEU 50 5.642 5.863 -3.486
326 HG LEU 50 HG LEU 50 7.234 4.419 -1.872
327 1HD1 LEU 50 1HD1 LEU 50 4.770 2.851 -2.223
328 2HD1 LEU 50 2HD1 LEU 50 6.073 2.651 -1.050
329 3HD1 LEU 50 3HD1 LEU 50 6.235 1.979 -2.672
330 1HD2 LEU 50 1HD2 LEU 50 6.330 3.879 -4.701
331 2HD2 LEU 50 2HD2 LEU 50 7.639 2.958 -3.960
332 3HD2 LEU 50 3HD2 LEU 50 7.792 4.703 -4.160
333 H SER 51 H SER 51 7.144 4.986 0.135
334 HA SER 51 HA SER 51 8.908 7.380 -0.097
335 1HB SER 51 2HB SER 51 9.680 5.259 1.796
336 2HB SER 51 1HB SER 51 9.567 6.998 2.043
337 HG SER 51 HG SER 51 7.871 6.353 3.158
338 H HIS 52 H HIS 52 8.974 3.817 -0.283
339 HA HIS 52 HA HIS 52 10.746 3.742 -2.492
340 1HB HIS 52 2HB HIS 52 12.842 3.027 -1.367
341 2HB HIS 52 1HB HIS 52 12.412 4.687 -0.959
342 HD1 HIS 52 1HD HIS 52 12.672 1.247 0.499
343 HD2 HIS 52 2HD HIS 52 11.540 5.062 1.743
344 HE1 HIS 52 1HE HIS 52 12.510 1.160 3.026
345 H PHE 53 H PHE 53 9.716 1.931 -3.238
346 HA PHE 53 HA PHE 53 8.528 -0.146 -1.872
347 1HB PHE 53 2HB PHE 53 10.275 -0.615 -4.297
348 2HB PHE 53 1HB PHE 53 8.841 -1.511 -3.818
349 HD1 PHE 53 1HD PHE 53 10.046 0.991 -5.956
350 HD2 PHE 53 2HD PHE 53 6.655 0.022 -3.503
351 HE1 PHE 53 1HE PHE 53 8.635 2.524 -7.301
352 HE2 PHE 53 2HE PHE 53 5.245 1.556 -4.846
353 HZ PHE 53 HZ PHE 53 6.235 2.807 -6.746
354 H GLY 54 H GLY 54 9.509 -0.974 -0.024
355 1HA GLY 54 2HA GLY 54 11.465 -2.981 -0.199
356 2HA GLY 54 1HA GLY 54 12.335 -1.494 0.173
357 H LYS 55 H LYS 55 12.262 -3.644 1.985
358 HA LYS 55 HA LYS 55 10.191 -3.273 3.973
359 1HB LYS 55 2HB LYS 55 11.763 -4.613 5.432
360 2HB LYS 55 1HB LYS 55 11.341 -5.391 3.907
361 1HG LYS 55 2HG LYS 55 13.440 -4.954 2.954
362 2HG LYS 55 1HG LYS 55 13.793 -3.656 4.094
363 1HD LYS 55 2HD LYS 55 14.269 -5.155 5.848
364 2HD LYS 55 1HD LYS 55 13.424 -6.486 5.059
365 1HE LYS 55 2HE LYS 55 15.434 -7.154 4.279
366 2HE LYS 55 1HE LYS 55 15.387 -5.745 3.219
367 1HZ LYS 55 1HZ LYS 55 16.258 -4.544 5.341
368 2HZ LYS 55 2HZ LYS 55 17.332 -5.396 4.336
369 3HZ LYS 55 3HZ LYS 55 16.775 -6.098 5.779
370 H CYS 56 H CYS 56 10.083 -1.709 5.504
371 HA CYS 56 HA CYS 56 11.990 0.434 5.597
372 1HB CYS 56 2HB CYS 56 9.643 -0.390 7.288
373 2HB CYS 56 1HB CYS 56 10.697 0.920 7.824
Start of MODEL 9
1 1H ALA 3 1HT ALA 3 3.986 9.301 -5.399
2 2H ALA 3 2HT ALA 3 3.199 10.742 -5.835
3 3H ALA 3 3HT ALA 3 4.532 10.194 -6.734
4 HA ALA 3 HA ALA 3 2.348 8.305 -6.535
5 1HB ALA 3 1HB ALA 3 2.031 11.055 -7.682
6 2HB ALA 3 2HB ALA 3 0.839 10.036 -6.874
7 3HB ALA 3 3HB ALA 3 1.303 9.698 -8.542
8 H VAL 4 H VAL 4 4.746 7.506 -7.116
9 HA VAL 4 HA VAL 4 4.951 7.568 -10.102
10 HB VAL 4 HB VAL 4 7.344 7.391 -9.914
11 1HG1 VAL 4 1HG1 VAL 4 6.711 9.663 -9.731
12 2HG1 VAL 4 2HG1 VAL 4 7.820 9.421 -8.382
13 3HG1 VAL 4 3HG1 VAL 4 6.080 9.443 -8.100
14 1HG2 VAL 4 1HG2 VAL 4 6.677 6.751 -7.066
15 2HG2 VAL 4 2HG2 VAL 4 8.218 7.538 -7.406
16 3HG2 VAL 4 3HG2 VAL 4 7.843 5.980 -8.141
17 H SER 5 H SER 5 4.982 5.578 -11.101
18 HA SER 5 HA SER 5 4.929 3.242 -11.335
19 1HB SER 5 2HB SER 5 7.063 3.639 -9.780
20 2HB SER 5 1HB SER 5 6.038 2.846 -8.587
21 HG SER 5 HG SER 5 7.435 1.509 -10.056
22 H VAL 6 H VAL 6 2.755 4.787 -10.013
23 HA VAL 6 HA VAL 6 1.537 2.506 -8.513
24 HB VAL 6 HB VAL 6 2.150 4.425 -7.013
25 1HG1 VAL 6 1HG1 VAL 6 1.301 5.984 -9.105
26 2HG1 VAL 6 2HG1 VAL 6 1.508 6.560 -7.451
27 3HG1 VAL 6 3HG1 VAL 6 -0.086 6.063 -8.018
28 1HG2 VAL 6 1HG2 VAL 6 -0.669 3.499 -7.458
29 2HG2 VAL 6 2HG2 VAL 6 -0.365 4.741 -6.244
30 3HG2 VAL 6 3HG2 VAL 6 0.416 3.166 -6.108
31 H ASP 7 H ASP 7 -0.651 2.101 -8.988
32 HA ASP 7 HA ASP 7 -2.262 3.909 -10.573
33 1HB ASP 7 2HB ASP 7 -2.374 2.048 -12.473
34 2HB ASP 7 1HB ASP 7 -1.160 3.326 -12.525
35 H CYS 8 H CYS 8 -3.638 3.342 -8.745
36 HA CYS 8 HA CYS 8 -4.952 0.682 -9.118
37 1HB CYS 8 2HB CYS 8 -3.919 1.989 -6.648
38 2HB CYS 8 1HB CYS 8 -5.470 1.156 -6.518
39 H SER 9 H SER 9 -5.956 2.729 -10.523
40 HA SER 9 HA SER 9 -7.722 4.552 -9.334
41 1HB SER 9 2HB SER 9 -9.054 4.270 -11.506
42 2HB SER 9 1HB SER 9 -7.362 4.727 -11.681
43 HG SER 9 HG SER 9 -7.696 3.032 -13.051
44 H GLU 10 H GLU 10 -8.679 3.509 -7.525
45 HA GLU 10 HA GLU 10 -10.599 2.565 -6.522
46 1HB GLU 10 2HB GLU 10 -11.531 3.088 -8.981
47 2HB GLU 10 1HB GLU 10 -11.520 1.327 -9.075
48 1HG GLU 10 2HG GLU 10 -12.668 1.510 -6.698
49 2HG GLU 10 1HG GLU 10 -13.110 3.119 -7.274
50 H TYR 11 H TYR 11 -8.398 1.216 -6.081
51 HA TYR 11 HA TYR 11 -9.127 -1.624 -6.656
52 1HB TYR 11 2HB TYR 11 -7.069 -0.548 -7.926
53 2HB TYR 11 1HB TYR 11 -6.251 -0.836 -6.391
54 HD1 TYR 11 1HD TYR 11 -6.193 -3.163 -5.429
55 HD2 TYR 11 2HD TYR 11 -7.613 -2.343 -9.399
56 HE1 TYR 11 1HE TYR 11 -5.936 -5.560 -6.017
57 HE2 TYR 11 2HE TYR 11 -7.357 -4.738 -9.987
58 HH TYR 11 HH TYR 11 -5.561 -6.794 -8.574
59 HA PRO 12 HA PRO 12 -8.237 -0.745 -2.132
60 1HB PRO 12 2HB PRO 12 -10.816 -0.924 -1.206
61 2HB PRO 12 1HB PRO 12 -10.063 0.601 -1.706
62 1HG PRO 12 2HG PRO 12 -12.099 -1.048 -3.136
63 2HG PRO 12 1HG PRO 12 -11.803 0.696 -3.225
64 1HD PRO 12 2HD PRO 12 -10.970 -1.215 -5.133
65 2HD PRO 12 1HD PRO 12 -10.395 0.460 -5.009
66 H LYS 13 H LYS 13 -7.697 -2.600 -1.003
67 HA LYS 13 HA LYS 13 -9.507 -4.867 -0.822
68 1HB LYS 13 2HB LYS 13 -7.164 -4.929 -2.700
69 2HB LYS 13 1HB LYS 13 -7.639 -6.402 -1.856
70 1HG LYS 13 2HG LYS 13 -10.066 -5.450 -2.724
71 2HG LYS 13 1HG LYS 13 -8.999 -4.977 -4.046
72 1HD LYS 13 2HD LYS 13 -8.083 -7.430 -3.809
73 2HD LYS 13 1HD LYS 13 -9.631 -7.726 -3.016
74 1HE LYS 13 2HE LYS 13 -10.630 -7.845 -5.027
75 2HE LYS 13 1HE LYS 13 -10.146 -6.182 -5.357
76 1HZ LYS 13 1HZ LYS 13 -8.851 -7.024 -6.932
77 2HZ LYS 13 2HZ LYS 13 -9.074 -8.617 -6.386
78 3HZ LYS 13 3HZ LYS 13 -7.864 -7.642 -5.699
79 H CYS 14 H CYS 14 -9.157 -4.642 1.423
80 HA CYS 14 HA CYS 14 -6.378 -4.882 2.424
81 1HB CYS 14 2HB CYS 14 -9.031 -4.209 3.682
82 2HB CYS 14 1HB CYS 14 -7.670 -4.703 4.689
83 H ALA 15 H ALA 15 -7.911 -7.089 1.072
84 HA ALA 15 HA ALA 15 -7.331 -9.157 3.100
85 1HB ALA 15 1HB ALA 15 -9.916 -8.308 2.913
86 2HB ALA 15 2HB ALA 15 -9.457 -9.949 3.363
87 3HB ALA 15 3HB ALA 15 -9.904 -9.585 1.697
88 H CYS 16 H CYS 16 -5.596 -9.407 1.447
89 HA CYS 16 HA CYS 16 -6.560 -10.746 -1.044
90 1HB CYS 16 2HB CYS 16 -4.176 -9.081 -0.380
91 2HB CYS 16 1HB CYS 16 -3.970 -10.366 -1.571
92 H THR 17 H THR 17 -4.585 -12.293 -1.787
93 HA THR 17 HA THR 17 -4.609 -14.432 0.198
94 HB THR 17 HB THR 17 -3.272 -14.232 -2.517
95 HG1 THR 17 1HG THR 17 -5.664 -15.419 -1.574
96 1HG2 THR 17 1HG2 THR 17 -3.850 -16.830 -1.169
97 2HG2 THR 17 2HG2 THR 17 -2.447 -15.918 -0.614
98 3HG2 THR 17 3HG2 THR 17 -2.564 -16.415 -2.302
99 H MET 18 H MET 18 -1.667 -13.837 -1.645
100 HA MET 18 HA MET 18 -0.248 -12.796 0.709
101 1HB MET 18 2HB MET 18 -0.397 -15.608 0.231
102 2HB MET 18 1HB MET 18 1.254 -15.085 -0.100
103 1HG MET 18 2HG MET 18 1.563 -14.257 2.075
104 2HG MET 18 1HG MET 18 -0.170 -14.141 2.378
105 1HE MET 18 1HE MET 18 -0.394 -15.265 4.498
106 2HE MET 18 2HE MET 18 1.360 -15.301 4.647
107 3HE MET 18 3HE MET 18 0.422 -16.750 5.004
108 H GLU 19 H GLU 19 -0.686 -11.973 -2.113
109 HA GLU 19 HA GLU 19 1.466 -12.426 -3.838
110 1HB GLU 19 2HB GLU 19 -0.575 -10.863 -4.141
111 2HB GLU 19 1HB GLU 19 0.414 -9.638 -3.345
112 1HG GLU 19 2HG GLU 19 1.689 -9.328 -5.185
113 2HG GLU 19 1HG GLU 19 1.867 -11.063 -5.447
114 H TYR 20 H TYR 20 3.526 -11.237 -4.121
115 HA TYR 20 HA TYR 20 4.510 -10.122 -1.526
116 1HB TYR 20 2HB TYR 20 5.441 -12.393 -2.638
117 2HB TYR 20 1HB TYR 20 6.471 -11.213 -3.451
118 HD1 TYR 20 1HD TYR 20 5.817 -12.963 -0.359
119 HD2 TYR 20 2HD TYR 20 7.728 -9.507 -2.049
120 HE1 TYR 20 1HE TYR 20 7.176 -12.706 1.700
121 HE2 TYR 20 2HE TYR 20 9.089 -9.251 0.007
122 HH TYR 20 HH TYR 20 8.389 -10.558 2.845
123 H ARG 21 H ARG 21 4.561 -7.989 -1.795
124 HA ARG 21 HA ARG 21 6.312 -6.819 -3.828
125 1HB ARG 21 2HB ARG 21 3.622 -5.520 -3.626
126 2HB ARG 21 1HB ARG 21 4.758 -5.527 -4.971
127 1HG ARG 21 2HG ARG 21 3.341 -8.055 -4.139
128 2HG ARG 21 1HG ARG 21 2.566 -6.894 -5.208
129 1HD ARG 21 2HD ARG 21 4.363 -8.915 -5.963
130 2HD ARG 21 1HD ARG 21 3.775 -7.595 -6.971
131 HE ARG 21 HE ARG 21 6.351 -7.572 -5.465
132 1HH1 ARG 21 1HH2 ARG 21 5.407 -7.463 -8.548
133 2HH1 ARG 21 2HH2 ARG 21 6.008 -5.884 -8.928
134 1HH2 ARG 21 1HH1 ARG 21 6.605 -5.026 -5.623
135 2HH2 ARG 21 2HH1 ARG 21 6.690 -4.505 -7.272
136 HA PRO 22 HA PRO 22 6.530 -4.781 0.214
137 1HB PRO 22 2HB PRO 22 9.234 -4.296 0.044
138 2HB PRO 22 1HB PRO 22 8.539 -5.806 0.658
139 1HG PRO 22 2HG PRO 22 9.836 -5.270 -1.976
140 2HG PRO 22 1HG PRO 22 9.733 -6.784 -1.063
141 1HD PRO 22 2HD PRO 22 8.143 -6.113 -3.296
142 2HD PRO 22 1HD PRO 22 7.801 -7.418 -2.139
143 H LEU 23 H LEU 23 5.826 -2.717 0.185
144 HA LEU 23 HA LEU 23 7.302 -0.682 -1.396
145 1HB LEU 23 2HB LEU 23 4.286 -1.054 -1.488
146 2HB LEU 23 1HB LEU 23 5.169 0.293 -2.210
147 HG LEU 23 HG LEU 23 5.995 -2.491 -2.932
148 1HD1 LEU 23 1HD1 LEU 23 4.295 -2.217 -4.879
149 2HD1 LEU 23 2HD1 LEU 23 3.467 -1.099 -3.794
150 3HD1 LEU 23 3HD1 LEU 23 3.693 -2.783 -3.321
151 1HD2 LEU 23 1HD2 LEU 23 5.660 -0.172 -4.800
152 2HD2 LEU 23 2HD2 LEU 23 6.875 -1.450 -4.815
153 3HD2 LEU 23 3HD2 LEU 23 6.990 -0.137 -3.642
154 H CYS 24 H CYS 24 7.851 0.829 0.126
155 HA CYS 24 HA CYS 24 6.246 1.000 2.582
156 1HB CYS 24 2HB CYS 24 8.897 1.165 2.273
157 2HB CYS 24 1HB CYS 24 8.515 2.875 2.089
158 H GLY 25 H GLY 25 4.446 2.198 2.441
159 1HA GLY 25 2HA GLY 25 3.838 4.168 0.539
160 2HA GLY 25 1HA GLY 25 3.079 4.066 2.124
161 H SER 26 H SER 26 3.911 6.446 0.621
162 HA SER 26 HA SER 26 6.279 7.648 1.574
163 1HB SER 26 2HB SER 26 5.097 8.870 -0.071
164 2HB SER 26 1HB SER 26 3.587 8.791 0.830
165 HG SER 26 HG SER 26 5.570 10.613 0.946
166 H ASP 27 H ASP 27 3.492 6.748 3.362
167 HA ASP 27 HA ASP 27 3.814 8.733 5.472
168 1HB ASP 27 2HB ASP 27 2.015 7.609 6.551
169 2HB ASP 27 1HB ASP 27 1.661 7.523 4.823
170 H ASN 28 H ASN 28 5.967 6.533 4.664
171 HA ASN 28 HA ASN 28 7.734 5.566 5.877
172 1HB ASN 28 2HB ASN 28 6.994 7.610 7.467
173 2HB ASN 28 1HB ASN 28 6.547 6.263 8.515
174 1HD2 ASN 28 1HD2 ASN 28 9.280 7.863 6.923
175 2HD2 ASN 28 2HD2 ASN 28 10.490 7.033 7.776
176 H LYS 29 H LYS 29 5.307 4.096 5.203
177 HA LYS 29 HA LYS 29 5.389 2.086 7.420
178 1HB LYS 29 2HB LYS 29 3.207 3.075 7.527
179 2HB LYS 29 1HB LYS 29 3.022 3.000 5.776
180 1HG LYS 29 2HG LYS 29 2.111 0.953 5.966
181 2HG LYS 29 1HG LYS 29 3.604 0.362 6.694
182 1HD LYS 29 2HD LYS 29 1.814 1.950 8.456
183 2HD LYS 29 1HD LYS 29 1.249 0.342 8.004
184 1HE LYS 29 2HE LYS 29 2.505 -0.147 9.904
185 2HE LYS 29 1HE LYS 29 3.708 -0.374 8.634
186 1HZ LYS 29 1HZ LYS 29 4.824 1.474 9.231
187 2HZ LYS 29 2HZ LYS 29 4.097 1.185 10.740
188 3HZ LYS 29 3HZ LYS 29 3.426 2.326 9.675
189 H THR 30 H THR 30 5.633 -0.062 6.761
190 HA THR 30 HA THR 30 6.321 -0.427 3.906
191 HB THR 30 HB THR 30 6.537 -2.341 6.254
192 HG1 THR 30 1HG THR 30 8.795 -1.860 5.926
193 1HG2 THR 30 1HG2 THR 30 6.666 -2.759 3.414
194 2HG2 THR 30 2HG2 THR 30 6.889 -3.935 4.710
195 3HG2 THR 30 3HG2 THR 30 8.268 -3.015 4.108
196 H TYR 31 H TYR 31 5.060 -1.616 2.497
197 HA TYR 31 HA TYR 31 2.467 -2.613 3.575
198 1HB TYR 31 2HB TYR 31 3.335 -1.473 0.932
199 2HB TYR 31 1HB TYR 31 1.904 -2.496 1.028
200 HD1 TYR 31 1HD TYR 31 3.355 0.745 1.870
201 HD2 TYR 31 2HD TYR 31 -0.029 -1.830 2.452
202 HE1 TYR 31 1HE TYR 31 2.044 2.662 2.739
203 HE2 TYR 31 2HE TYR 31 -1.340 0.087 3.319
204 HH TYR 31 HH TYR 31 -0.114 2.792 4.436
205 H GLY 32 H GLY 32 1.912 -4.753 3.273
206 1HA GLY 32 2HA GLY 32 3.961 -6.661 2.677
207 2HA GLY 32 1HA GLY 32 2.243 -7.032 2.818
208 H ASN 33 H ASN 33 1.393 -5.221 0.705
209 HA ASN 33 HA ASN 33 2.819 -5.881 -1.724
210 1HB ASN 33 2HB ASN 33 0.829 -7.231 -2.655
211 2HB ASN 33 1HB ASN 33 1.922 -8.066 -1.550
212 1HD2 ASN 33 1HD2 ASN 33 0.421 -9.496 -0.552
213 2HD2 ASN 33 2HD2 ASN 33 -0.918 -8.963 0.344
214 H LYS 34 H LYS 34 1.456 -5.198 -3.662
215 HA LYS 34 HA LYS 34 0.461 -2.573 -3.269
216 1HB LYS 34 2HB LYS 34 -0.269 -2.678 -5.605
217 2HB LYS 34 1HB LYS 34 1.326 -3.415 -5.444
218 1HG LYS 34 2HG LYS 34 0.557 -5.498 -5.957
219 2HG LYS 34 1HG LYS 34 -0.945 -5.270 -5.062
220 1HD LYS 34 2HD LYS 34 -2.046 -4.343 -6.867
221 2HD LYS 34 1HD LYS 34 -0.569 -3.671 -7.558
222 1HE LYS 34 2HE LYS 34 0.150 -6.037 -8.089
223 2HE LYS 34 1HE LYS 34 -1.462 -6.565 -7.607
224 1HZ LYS 34 1HZ LYS 34 -0.641 -4.977 -9.929
225 2HZ LYS 34 2HZ LYS 34 -2.176 -4.689 -9.258
226 3HZ LYS 34 3HZ LYS 34 -1.770 -6.238 -9.828
227 H CYS 35 H CYS 35 -1.043 -5.538 -2.593
228 HA CYS 35 HA CYS 35 -3.770 -4.658 -3.150
229 1HB CYS 35 2HB CYS 35 -3.144 -7.069 -3.068
230 2HB CYS 35 1HB CYS 35 -2.760 -6.892 -1.357
231 H ASN 36 H ASN 36 -1.550 -4.734 -0.422
232 HA ASN 36 HA ASN 36 -3.544 -3.600 1.417
233 1HB ASN 36 2HB ASN 36 -1.234 -5.126 1.736
234 2HB ASN 36 1HB ASN 36 -0.755 -3.523 2.282
235 1HD2 ASN 36 1HD2 ASN 36 -3.554 -5.775 2.648
236 2HD2 ASN 36 2HD2 ASN 36 -3.819 -5.410 4.285
237 H PHE 37 H PHE 37 -1.246 -2.521 -0.867
238 HA PHE 37 HA PHE 37 -0.764 0.082 0.390
239 1HB PHE 37 2HB PHE 37 0.988 -0.856 -1.025
240 2HB PHE 37 1HB PHE 37 -0.141 -1.013 -2.369
241 HD1 PHE 37 1HD PHE 37 -0.812 0.873 -3.693
242 HD2 PHE 37 2HD PHE 37 1.724 1.410 -0.266
243 HE1 PHE 37 1HE PHE 37 -0.333 3.196 -4.410
244 HE2 PHE 37 2HE PHE 37 2.205 3.741 -0.986
245 HZ PHE 37 HZ PHE 37 1.168 4.626 -3.064
246 H CYS 38 H CYS 38 -2.563 -1.121 -2.445
247 HA CYS 38 HA CYS 38 -3.728 1.450 -3.055
248 1HB CYS 38 2HB CYS 38 -4.713 -1.316 -3.819
249 2HB CYS 38 1HB CYS 38 -5.162 0.204 -4.593
250 H CYS 39 H CYS 39 -4.460 -1.081 -0.793
251 HA CYS 39 HA CYS 39 -7.267 -0.391 -0.459
252 1HB CYS 39 2HB CYS 39 -6.180 -2.599 0.211
253 2HB CYS 39 1HB CYS 39 -5.469 -1.733 1.573
254 H ALA 40 H ALA 40 -4.282 0.333 1.317
255 HA ALA 40 HA ALA 40 -5.585 2.086 3.220
256 1HB ALA 40 1HB ALA 40 -3.097 2.888 3.489
257 2HB ALA 40 2HB ALA 40 -2.736 1.504 2.459
258 3HB ALA 40 3HB ALA 40 -3.542 1.263 4.008
259 H VAL 41 H VAL 41 -4.339 2.458 -0.003
260 HA VAL 41 HA VAL 41 -4.050 5.348 0.102
261 HB VAL 41 HB VAL 41 -4.263 3.362 -2.176
262 1HG1 VAL 41 1HG1 VAL 41 -3.242 5.789 -3.150
263 2HG1 VAL 41 2HG1 VAL 41 -4.656 6.239 -2.196
264 3HG1 VAL 41 3HG1 VAL 41 -4.817 5.085 -3.519
265 1HG2 VAL 41 1HG2 VAL 41 -1.972 3.422 -2.216
266 2HG2 VAL 41 2HG2 VAL 41 -2.176 3.877 -0.524
267 3HG2 VAL 41 3HG2 VAL 41 -1.906 5.120 -1.746
268 H VAL 42 H VAL 42 -6.558 3.105 -1.016
269 HA VAL 42 HA VAL 42 -8.369 5.062 -2.023
270 HB VAL 42 HB VAL 42 -8.992 2.406 -0.691
271 1HG1 VAL 42 1HG1 VAL 42 -11.164 2.634 -1.394
272 2HG1 VAL 42 2HG1 VAL 42 -10.714 3.580 -2.812
273 3HG1 VAL 42 3HG1 VAL 42 -10.788 4.349 -1.228
274 1HG2 VAL 42 1HG2 VAL 42 -7.634 3.016 -3.112
275 2HG2 VAL 42 2HG2 VAL 42 -9.241 2.441 -3.556
276 3HG2 VAL 42 3HG2 VAL 42 -8.191 1.436 -2.558
277 H GLU 43 H GLU 43 -7.658 3.950 1.234
278 HA GLU 43 HA GLU 43 -9.945 5.349 2.413
279 1HB GLU 43 2HB GLU 43 -7.492 4.416 3.906
280 2HB GLU 43 1HB GLU 43 -9.149 4.554 4.496
281 1HG GLU 43 2HG GLU 43 -9.343 2.825 2.311
282 2HG GLU 43 1HG GLU 43 -7.862 2.327 3.129
283 H SER 44 H SER 44 -6.575 6.029 1.714
284 HA SER 44 HA SER 44 -6.468 8.420 3.385
285 1HB SER 44 2HB SER 44 -4.612 6.840 1.907
286 2HB SER 44 1HB SER 44 -4.516 8.485 1.284
287 HG SER 44 HG SER 44 -4.445 9.101 3.590
288 H ASN 45 H ASN 45 -7.941 7.696 0.442
289 HA ASN 45 HA ASN 45 -9.113 9.124 -1.025
290 1HB ASN 45 2HB ASN 45 -8.861 10.654 1.244
291 2HB ASN 45 1HB ASN 45 -8.021 11.642 0.049
292 1HD2 ASN 45 1HD2 ASN 45 -10.683 12.187 1.286
293 2HD2 ASN 45 2HD2 ASN 45 -11.785 12.265 -0.003
294 H GLY 46 H GLY 46 -6.019 8.483 -0.951
295 1HA GLY 46 2HA GLY 46 -4.567 8.619 -2.869
296 2HA GLY 46 1HA GLY 46 -5.458 10.045 -3.409
297 H THR 47 H THR 47 -4.704 10.029 -0.074
298 HA THR 47 HA THR 47 -2.668 12.144 -0.556
299 HB THR 47 HB THR 47 -4.687 12.502 0.977
300 HG1 THR 47 1HG THR 47 -2.309 12.773 2.429
301 1HG2 THR 47 1HG2 THR 47 -4.984 11.226 2.825
302 2HG2 THR 47 2HG2 THR 47 -3.264 11.235 3.211
303 3HG2 THR 47 3HG2 THR 47 -3.896 10.084 2.036
304 H LEU 48 H LEU 48 -2.456 8.994 -0.470
305 HA LEU 48 HA LEU 48 0.062 9.015 1.134
306 1HB LEU 48 2HB LEU 48 -1.636 7.896 2.499
307 2HB LEU 48 1HB LEU 48 -2.077 6.860 1.142
308 HG LEU 48 HG LEU 48 0.774 6.733 1.606
309 1HD1 LEU 48 1HD1 LEU 48 -0.721 5.550 3.903
310 2HD1 LEU 48 2HD1 LEU 48 -0.373 7.277 3.964
311 3HD1 LEU 48 3HD1 LEU 48 0.947 6.115 3.822
312 1HD2 LEU 48 1HD2 LEU 48 -1.176 5.121 0.614
313 2HD2 LEU 48 2HD2 LEU 48 -1.000 4.435 2.229
314 3HD2 LEU 48 3HD2 LEU 48 0.394 4.521 1.151
315 H THR 49 H THR 49 1.744 8.359 -0.173
316 HA THR 49 HA THR 49 1.205 6.252 -2.174
317 HB THR 49 HB THR 49 2.409 7.561 -3.937
318 HG1 THR 49 1HG THR 49 2.971 9.156 -2.090
319 1HG2 THR 49 1HG2 THR 49 0.020 9.198 -3.397
320 2HG2 THR 49 2HG2 THR 49 -0.256 7.460 -3.287
321 3HG2 THR 49 3HG2 THR 49 0.385 8.157 -4.773
322 H LEU 50 H LEU 50 2.870 4.962 -2.495
323 HA LEU 50 HA LEU 50 4.970 4.528 -0.824
324 1HB LEU 50 2HB LEU 50 4.451 2.993 -2.624
325 2HB LEU 50 1HB LEU 50 4.966 4.173 -3.828
326 HG LEU 50 HG LEU 50 7.245 4.125 -2.564
327 1HD1 LEU 50 1HD1 LEU 50 5.723 2.216 -1.069
328 2HD1 LEU 50 2HD1 LEU 50 7.396 2.713 -0.822
329 3HD1 LEU 50 3HD1 LEU 50 7.027 1.362 -1.893
330 1HD2 LEU 50 1HD2 LEU 50 7.452 3.253 -4.678
331 2HD2 LEU 50 2HD2 LEU 50 6.059 2.188 -4.486
332 3HD2 LEU 50 3HD2 LEU 50 7.614 1.740 -3.783
333 H SER 51 H SER 51 6.922 5.373 -0.368
334 HA SER 51 HA SER 51 8.027 7.465 -2.181
335 1HB SER 51 2HB SER 51 6.863 8.354 -0.040
336 2HB SER 51 1HB SER 51 8.241 7.673 0.817
337 HG SER 51 HG SER 51 8.167 9.715 -1.132
338 H HIS 52 H HIS 52 8.459 4.499 -0.886
339 HA HIS 52 HA HIS 52 11.205 4.315 -1.497
340 1HB HIS 52 2HB HIS 52 12.083 5.295 0.374
341 2HB HIS 52 1HB HIS 52 10.550 5.229 1.235
342 HD1 HIS 52 1HD HIS 52 12.427 2.215 -0.100
343 HD2 HIS 52 2HD HIS 52 11.440 3.941 3.560
344 HE1 HIS 52 1HE HIS 52 12.952 0.490 1.662
345 H PHE 53 H PHE 53 11.358 2.256 -2.012
346 HA PHE 53 HA PHE 53 9.574 0.259 -2.076
347 1HB PHE 53 2HB PHE 53 12.416 0.334 -2.101
348 2HB PHE 53 1HB PHE 53 11.926 -1.043 -1.111
349 HD1 PHE 53 1HD PHE 53 12.102 -2.969 -2.436
350 HD2 PHE 53 2HD PHE 53 10.303 0.568 -4.079
351 HE1 PHE 53 1HE PHE 53 11.493 -4.230 -4.483
352 HE2 PHE 53 2HE PHE 53 9.695 -0.692 -6.126
353 HZ PHE 53 HZ PHE 53 10.290 -3.091 -6.329
354 H GLY 54 H GLY 54 8.878 -1.466 -0.797
355 1HA GLY 54 2HA GLY 54 7.825 -1.069 1.658
356 2HA GLY 54 1HA GLY 54 8.379 -2.666 1.172
357 H LYS 55 H LYS 55 10.717 -3.135 1.609
358 HA LYS 55 HA LYS 55 11.486 -3.237 4.159
359 1HB LYS 55 2HB LYS 55 13.894 -3.003 3.451
360 2HB LYS 55 1HB LYS 55 12.947 -4.122 2.470
361 1HG LYS 55 2HG LYS 55 13.149 -2.841 0.613
362 2HG LYS 55 1HG LYS 55 12.836 -1.354 1.505
363 1HD LYS 55 2HD LYS 55 15.143 -1.445 0.536
364 2HD LYS 55 1HD LYS 55 15.136 -1.279 2.292
365 1HE LYS 55 2HE LYS 55 15.076 -4.076 1.447
366 2HE LYS 55 1HE LYS 55 16.500 -3.226 0.847
367 1HZ LYS 55 1HZ LYS 55 17.368 -3.217 2.867
368 2HZ LYS 55 2HZ LYS 55 16.084 -4.195 3.398
369 3HZ LYS 55 3HZ LYS 55 15.979 -2.505 3.531
370 H CYS 56 H CYS 56 10.647 -1.419 5.368
371 HA CYS 56 HA CYS 56 12.100 1.153 5.011
372 1HB CYS 56 2HB CYS 56 9.455 0.384 6.010
373 2HB CYS 56 1HB CYS 56 10.292 1.504 7.084
Start of MODEL 10
1 1H ALA 3 1HT ALA 3 8.897 10.631 -9.654
2 2H ALA 3 2HT ALA 3 8.478 12.271 -9.502
3 3H ALA 3 3HT ALA 3 8.658 11.577 -11.042
4 HA ALA 3 HA ALA 3 6.396 11.550 -9.259
5 1HB ALA 3 1HB ALA 3 5.206 11.256 -11.373
6 2HB ALA 3 2HB ALA 3 6.717 10.889 -12.204
7 3HB ALA 3 3HB ALA 3 6.433 12.508 -11.566
8 H VAL 4 H VAL 4 5.446 9.756 -8.406
9 HA VAL 4 HA VAL 4 6.666 7.126 -8.978
10 HB VAL 4 HB VAL 4 6.201 7.829 -6.629
11 1HG1 VAL 4 1HG1 VAL 4 4.120 9.106 -7.170
12 2HG1 VAL 4 2HG1 VAL 4 3.893 7.958 -5.850
13 3HG1 VAL 4 3HG1 VAL 4 3.296 7.575 -7.464
14 1HG2 VAL 4 1HG2 VAL 4 5.666 5.682 -5.984
15 2HG2 VAL 4 2HG2 VAL 4 5.956 5.371 -7.695
16 3HG2 VAL 4 3HG2 VAL 4 4.307 5.575 -7.104
17 H SER 5 H SER 5 5.377 5.304 -9.663
18 HA SER 5 HA SER 5 2.815 6.089 -10.997
19 1HB SER 5 2HB SER 5 4.868 4.061 -11.930
20 2HB SER 5 1HB SER 5 3.340 4.410 -12.732
21 HG SER 5 HG SER 5 4.744 5.713 -13.741
22 H VAL 6 H VAL 6 1.247 5.223 -9.694
23 HA VAL 6 HA VAL 6 1.661 2.425 -8.723
24 HB VAL 6 HB VAL 6 1.346 4.126 -6.937
25 1HG1 VAL 6 1HG1 VAL 6 -0.736 4.985 -8.757
26 2HG1 VAL 6 2HG1 VAL 6 -0.086 5.817 -7.344
27 3HG1 VAL 6 3HG1 VAL 6 -1.412 4.668 -7.158
28 1HG2 VAL 6 1HG2 VAL 6 -0.807 2.058 -7.415
29 2HG2 VAL 6 2HG2 VAL 6 -0.756 3.011 -5.931
30 3HG2 VAL 6 3HG2 VAL 6 0.592 1.952 -6.347
31 H ASP 7 H ASP 7 -0.037 0.921 -9.046
32 HA ASP 7 HA ASP 7 -2.035 1.775 -11.097
33 1HB ASP 7 2HB ASP 7 -0.415 -0.663 -10.704
34 2HB ASP 7 1HB ASP 7 -2.105 -0.967 -11.109
35 H CYS 8 H CYS 8 -3.458 2.587 -9.386
36 HA CYS 8 HA CYS 8 -4.727 0.399 -7.788
37 1HB CYS 8 2HB CYS 8 -4.640 3.385 -7.256
38 2HB CYS 8 1HB CYS 8 -5.495 2.205 -6.263
39 H SER 9 H SER 9 -5.336 1.100 -10.582
40 HA SER 9 HA SER 9 -7.556 2.715 -10.997
41 1HB SER 9 2HB SER 9 -6.538 0.218 -12.247
42 2HB SER 9 1HB SER 9 -8.216 0.630 -12.585
43 HG SER 9 HG SER 9 -7.577 2.515 -13.486
44 H GLU 10 H GLU 10 -8.916 2.708 -9.202
45 HA GLU 10 HA GLU 10 -10.569 1.960 -7.732
46 1HB GLU 10 2HB GLU 10 -12.448 0.838 -8.800
47 2HB GLU 10 1HB GLU 10 -11.815 2.074 -9.880
48 1HG GLU 10 2HG GLU 10 -10.760 -0.717 -10.153
49 2HG GLU 10 1HG GLU 10 -12.368 -0.365 -10.765
50 H TYR 11 H TYR 11 -8.551 0.767 -6.814
51 HA TYR 11 HA TYR 11 -9.213 -2.153 -6.711
52 1HB TYR 11 2HB TYR 11 -6.966 -1.352 -7.775
53 2HB TYR 11 1HB TYR 11 -6.472 -1.070 -6.106
54 HD1 TYR 11 1HD TYR 11 -8.552 -3.742 -7.728
55 HD2 TYR 11 2HD TYR 11 -5.068 -2.794 -5.400
56 HE1 TYR 11 1HE TYR 11 -8.072 -6.160 -7.464
57 HE2 TYR 11 2HE TYR 11 -4.588 -5.214 -5.135
58 HH TYR 11 HH TYR 11 -6.867 -7.662 -6.166
59 HA PRO 12 HA PRO 12 -9.197 -0.149 -2.409
60 1HB PRO 12 2HB PRO 12 -11.908 0.014 -2.000
61 2HB PRO 12 1HB PRO 12 -10.939 1.346 -2.656
62 1HG PRO 12 2HG PRO 12 -12.798 -0.512 -4.085
63 2HG PRO 12 1HG PRO 12 -12.377 1.165 -4.465
64 1HD PRO 12 2HD PRO 12 -11.339 -1.091 -5.778
65 2HD PRO 12 1HD PRO 12 -10.637 0.541 -5.802
66 H LYS 13 H LYS 13 -8.578 -2.121 -1.441
67 HA LYS 13 HA LYS 13 -10.640 -3.790 -0.351
68 1HB LYS 13 2HB LYS 13 -10.228 -5.861 -1.528
69 2HB LYS 13 1HB LYS 13 -10.615 -4.625 -2.724
70 1HG LYS 13 2HG LYS 13 -8.068 -4.267 -2.913
71 2HG LYS 13 1HG LYS 13 -7.917 -5.803 -2.055
72 1HD LYS 13 2HD LYS 13 -9.674 -5.553 -4.491
73 2HD LYS 13 1HD LYS 13 -7.948 -5.884 -4.639
74 1HE LYS 13 2HE LYS 13 -8.177 -7.873 -3.228
75 2HE LYS 13 1HE LYS 13 -9.891 -7.529 -2.991
76 1HZ LYS 13 1HZ LYS 13 -9.880 -7.543 -5.590
77 2HZ LYS 13 2HZ LYS 13 -9.986 -8.996 -4.716
78 3HZ LYS 13 3HZ LYS 13 -8.500 -8.505 -5.380
79 H CYS 14 H CYS 14 -9.635 -3.692 1.607
80 HA CYS 14 HA CYS 14 -6.739 -4.149 1.839
81 1HB CYS 14 2HB CYS 14 -8.910 -3.166 3.578
82 2HB CYS 14 1HB CYS 14 -7.692 -4.134 4.408
83 H ALA 15 H ALA 15 -8.476 -6.360 0.853
84 HA ALA 15 HA ALA 15 -7.736 -8.357 2.939
85 1HB ALA 15 1HB ALA 15 -10.219 -8.718 1.287
86 2HB ALA 15 2HB ALA 15 -10.277 -7.717 2.737
87 3HB ALA 15 3HB ALA 15 -9.817 -9.416 2.856
88 H CYS 16 H CYS 16 -5.880 -8.254 1.218
89 HA CYS 16 HA CYS 16 -6.540 -9.891 -1.184
90 1HB CYS 16 2HB CYS 16 -4.460 -7.907 -0.495
91 2HB CYS 16 1HB CYS 16 -3.886 -9.298 -1.413
92 H THR 17 H THR 17 -4.407 -11.298 -1.712
93 HA THR 17 HA THR 17 -4.348 -13.312 0.405
94 HB THR 17 HB THR 17 -2.635 -13.321 -2.082
95 HG1 THR 17 1HG THR 17 -4.610 -14.523 -2.863
96 1HG2 THR 17 1HG2 THR 17 -2.992 -15.754 -1.891
97 2HG2 THR 17 2HG2 THR 17 -4.007 -15.494 -0.473
98 3HG2 THR 17 3HG2 THR 17 -2.290 -15.102 -0.410
99 H MET 18 H MET 18 -1.308 -13.572 -0.818
100 HA MET 18 HA MET 18 -0.127 -11.624 1.094
101 1HB MET 18 2HB MET 18 -0.365 -14.377 1.621
102 2HB MET 18 1HB MET 18 1.317 -14.136 1.149
103 1HG MET 18 2HG MET 18 1.756 -13.230 3.160
104 2HG MET 18 1HG MET 18 0.562 -11.969 2.854
105 1HE MET 18 1HE MET 18 0.089 -12.811 6.287
106 2HE MET 18 2HE MET 18 1.534 -12.856 5.279
107 3HE MET 18 3HE MET 18 0.961 -14.332 6.051
108 H GLU 19 H GLU 19 -0.237 -11.672 -1.848
109 HA GLU 19 HA GLU 19 2.004 -12.654 -3.168
110 1HB GLU 19 2HB GLU 19 0.073 -10.708 -3.717
111 2HB GLU 19 1HB GLU 19 1.604 -9.837 -3.820
112 1HG GLU 19 2HG GLU 19 2.231 -10.929 -5.705
113 2HG GLU 19 1HG GLU 19 1.681 -12.487 -5.086
114 H TYR 20 H TYR 20 4.208 -12.001 -3.318
115 HA TYR 20 HA TYR 20 5.128 -10.468 -0.973
116 1HB TYR 20 2HB TYR 20 6.167 -12.676 -2.111
117 2HB TYR 20 1HB TYR 20 7.088 -11.434 -2.963
118 HD1 TYR 20 1HD TYR 20 8.050 -9.495 -1.470
119 HD2 TYR 20 2HD TYR 20 6.900 -13.359 0.015
120 HE1 TYR 20 1HE TYR 20 9.471 -9.149 0.531
121 HE2 TYR 20 2HE TYR 20 8.323 -13.010 2.017
122 HH TYR 20 HH TYR 20 10.699 -10.922 2.238
123 H ARG 21 H ARG 21 4.915 -8.347 -1.296
124 HA ARG 21 HA ARG 21 6.595 -7.050 -3.318
125 1HB ARG 21 2HB ARG 21 4.085 -5.641 -3.339
126 2HB ARG 21 1HB ARG 21 4.958 -6.325 -4.700
127 1HG ARG 21 2HG ARG 21 3.316 -8.108 -2.910
128 2HG ARG 21 1HG ARG 21 2.535 -7.171 -4.179
129 1HD ARG 21 2HD ARG 21 4.101 -9.613 -4.406
130 2HD ARG 21 1HD ARG 21 3.057 -8.847 -5.593
131 HE ARG 21 HE ARG 21 5.862 -7.896 -5.188
132 1HH1 ARG 21 1HH2 ARG 21 4.754 -10.243 -7.068
133 2HH1 ARG 21 2HH2 ARG 21 4.894 -9.434 -8.592
134 1HH2 ARG 21 1HH1 ARG 21 5.397 -6.305 -7.184
135 2HH2 ARG 21 2HH1 ARG 21 5.260 -7.205 -8.658
136 HA PRO 22 HA PRO 22 6.600 -5.025 0.745
137 1HB PRO 22 2HB PRO 22 9.265 -4.360 0.626
138 2HB PRO 22 1HB PRO 22 8.667 -5.929 1.193
139 1HG PRO 22 2HG PRO 22 9.956 -5.240 -1.411
140 2HG PRO 22 1HG PRO 22 9.956 -6.778 -0.532
141 1HD PRO 22 2HD PRO 22 8.348 -6.172 -2.768
142 2HD PRO 22 1HD PRO 22 8.091 -7.526 -1.646
143 H LEU 23 H LEU 23 5.817 -2.968 0.791
144 HA LEU 23 HA LEU 23 7.086 -0.946 -1.011
145 1HB LEU 23 2HB LEU 23 4.145 -1.145 -0.292
146 2HB LEU 23 1HB LEU 23 4.879 0.127 -1.270
147 HG LEU 23 HG LEU 23 5.552 -2.556 -2.226
148 1HD1 LEU 23 1HD1 LEU 23 3.199 -2.849 -1.270
149 2HD1 LEU 23 2HD1 LEU 23 3.383 -3.218 -2.985
150 3HD1 LEU 23 3HD1 LEU 23 2.666 -1.685 -2.484
151 1HD2 LEU 23 1HD2 LEU 23 3.985 -0.712 -3.907
152 2HD2 LEU 23 2HD2 LEU 23 5.564 -1.438 -4.208
153 3HD2 LEU 23 3HD2 LEU 23 5.435 0.013 -3.213
154 H CYS 24 H CYS 24 8.038 0.604 0.236
155 HA CYS 24 HA CYS 24 7.168 0.916 3.044
156 1HB CYS 24 2HB CYS 24 9.579 0.903 2.642
157 2HB CYS 24 1HB CYS 24 9.421 2.211 1.469
158 H GLY 25 H GLY 25 5.073 1.835 2.588
159 1HA GLY 25 2HA GLY 25 4.428 3.961 0.917
160 2HA GLY 25 1HA GLY 25 3.653 3.707 2.481
161 H SER 26 H SER 26 4.470 6.239 1.098
162 HA SER 26 HA SER 26 6.746 7.441 2.237
163 1HB SER 26 2HB SER 26 5.224 8.467 0.513
164 2HB SER 26 1HB SER 26 4.074 8.803 1.805
165 HG SER 26 HG SER 26 5.823 9.956 2.844
166 H ASP 27 H ASP 27 3.888 6.371 3.832
167 HA ASP 27 HA ASP 27 4.126 8.213 6.095
168 1HB ASP 27 2HB ASP 27 2.264 7.037 7.023
169 2HB ASP 27 1HB ASP 27 1.961 7.134 5.288
170 H ASN 28 H ASN 28 6.319 6.155 5.242
171 HA ASN 28 HA ASN 28 7.976 4.976 6.405
172 1HB ASN 28 2HB ASN 28 6.851 6.815 8.277
173 2HB ASN 28 1HB ASN 28 7.098 5.281 9.109
174 1HD2 ASN 28 1HD2 ASN 28 8.675 7.841 9.367
175 2HD2 ASN 28 2HD2 ASN 28 10.279 7.416 9.007
176 H LYS 29 H LYS 29 5.523 3.627 5.562
177 HA LYS 29 HA LYS 29 5.438 1.521 7.666
178 1HB LYS 29 2HB LYS 29 3.321 2.956 7.331
179 2HB LYS 29 1HB LYS 29 3.147 2.094 5.801
180 1HG LYS 29 2HG LYS 29 1.896 0.836 7.381
181 2HG LYS 29 1HG LYS 29 3.401 -0.053 7.150
182 1HD LYS 29 2HD LYS 29 3.193 -0.004 9.489
183 2HD LYS 29 1HD LYS 29 4.266 1.357 9.166
184 1HE LYS 29 2HE LYS 29 2.699 2.341 10.583
185 2HE LYS 29 1HE LYS 29 2.014 2.715 9.000
186 1HZ LYS 29 1HZ LYS 29 1.149 0.167 9.788
187 2HZ LYS 29 2HZ LYS 29 0.221 1.565 9.527
188 3HZ LYS 29 3HZ LYS 29 0.861 1.242 11.067
189 H THR 30 H THR 30 5.264 -0.653 6.899
190 HA THR 30 HA THR 30 6.128 -0.963 4.054
191 HB THR 30 HB THR 30 6.646 -2.664 6.507
192 HG1 THR 30 1HG THR 30 8.721 -2.076 6.141
193 1HG2 THR 30 1HG2 THR 30 6.143 -4.149 4.635
194 2HG2 THR 30 2HG2 THR 30 7.877 -4.170 4.953
195 3HG2 THR 30 3HG2 THR 30 7.242 -3.245 3.592
196 H TYR 31 H TYR 31 4.770 -2.096 2.714
197 HA TYR 31 HA TYR 31 2.434 -3.433 3.985
198 1HB TYR 31 2HB TYR 31 2.849 -2.116 1.301
199 2HB TYR 31 1HB TYR 31 1.477 -3.170 1.622
200 HD1 TYR 31 1HD TYR 31 2.246 0.131 1.410
201 HD2 TYR 31 2HD TYR 31 0.562 -2.624 4.243
202 HE1 TYR 31 1HE TYR 31 1.076 2.005 2.537
203 HE2 TYR 31 2HE TYR 31 -0.607 -0.751 5.371
204 HH TYR 31 HH TYR 31 -0.238 1.785 5.580
205 H GLY 32 H GLY 32 1.720 -5.466 3.015
206 1HA GLY 32 2HA GLY 32 3.978 -7.177 2.311
207 2HA GLY 32 1HA GLY 32 2.305 -7.698 2.503
208 H ASN 33 H ASN 33 1.725 -5.295 0.513
209 HA ASN 33 HA ASN 33 2.906 -6.081 -1.974
210 1HB ASN 33 2HB ASN 33 0.871 -7.169 -2.977
211 2HB ASN 33 1HB ASN 33 1.665 -8.140 -1.736
212 1HD2 ASN 33 1HD2 ASN 33 -0.300 -9.257 -1.112
213 2HD2 ASN 33 2HD2 ASN 33 -1.564 -8.460 -0.307
214 H LYS 34 H LYS 34 1.832 -5.014 -3.821
215 HA LYS 34 HA LYS 34 1.076 -2.340 -3.207
216 1HB LYS 34 2HB LYS 34 0.318 -2.334 -5.676
217 2HB LYS 34 1HB LYS 34 2.016 -2.676 -5.351
218 1HG LYS 34 2HG LYS 34 1.694 -5.031 -5.653
219 2HG LYS 34 1HG LYS 34 -0.062 -4.856 -5.653
220 1HD LYS 34 2HD LYS 34 0.090 -3.519 -7.737
221 2HD LYS 34 1HD LYS 34 1.838 -3.755 -7.747
222 1HE LYS 34 2HE LYS 34 0.936 -6.332 -7.465
223 2HE LYS 34 1HE LYS 34 -0.313 -5.629 -8.492
224 1HZ LYS 34 1HZ LYS 34 2.613 -5.609 -8.997
225 2HZ LYS 34 2HZ LYS 34 1.464 -4.796 -9.951
226 3HZ LYS 34 3HZ LYS 34 1.444 -6.493 -9.851
227 H CYS 35 H CYS 35 -0.784 -5.197 -3.067
228 HA CYS 35 HA CYS 35 -3.337 -4.052 -3.816
229 1HB CYS 35 2HB CYS 35 -2.986 -6.502 -3.716
230 2HB CYS 35 1HB CYS 35 -2.724 -6.388 -1.975
231 H ASN 36 H ASN 36 -1.488 -4.334 -0.827
232 HA ASN 36 HA ASN 36 -3.535 -3.149 0.829
233 1HB ASN 36 2HB ASN 36 -0.892 -4.365 1.088
234 2HB ASN 36 1HB ASN 36 -1.057 -2.933 2.086
235 1HD2 ASN 36 1HD2 ASN 36 -3.932 -3.213 2.567
236 2HD2 ASN 36 2HD2 ASN 36 -4.142 -4.568 3.562
237 H PHE 37 H PHE 37 -0.985 -2.111 -1.247
238 HA PHE 37 HA PHE 37 -0.618 0.525 -0.067
239 1HB PHE 37 2HB PHE 37 1.113 -0.641 -1.466
240 2HB PHE 37 1HB PHE 37 0.057 -0.441 -2.863
241 HD1 PHE 37 1HD PHE 37 0.589 1.332 -4.254
242 HD2 PHE 37 2HD PHE 37 1.298 1.710 -0.033
243 HE1 PHE 37 1HE PHE 37 1.483 3.617 -4.610
244 HE2 PHE 37 2HE PHE 37 2.193 3.997 -0.389
245 HZ PHE 37 HZ PHE 37 2.284 4.949 -2.678
246 H CYS 38 H CYS 38 -2.626 -0.902 -2.580
247 HA CYS 38 HA CYS 38 -3.640 1.679 -3.510
248 1HB CYS 38 2HB CYS 38 -4.426 -1.196 -4.027
249 2HB CYS 38 1HB CYS 38 -5.358 0.157 -4.669
250 H CYS 39 H CYS 39 -4.376 -0.604 -1.015
251 HA CYS 39 HA CYS 39 -7.127 0.314 -0.623
252 1HB CYS 39 2HB CYS 39 -6.560 -1.958 0.041
253 2HB CYS 39 1HB CYS 39 -5.287 -1.363 1.107
254 H ALA 40 H ALA 40 -4.017 0.744 1.045
255 HA ALA 40 HA ALA 40 -5.023 2.582 3.018
256 1HB ALA 40 1HB ALA 40 -2.582 3.229 3.235
257 2HB ALA 40 2HB ALA 40 -2.239 2.133 1.896
258 3HB ALA 40 3HB ALA 40 -2.892 1.500 3.407
259 H VAL 41 H VAL 41 -4.121 2.852 -0.317
260 HA VAL 41 HA VAL 41 -3.786 5.751 -0.296
261 HB VAL 41 HB VAL 41 -4.074 3.683 -2.486
262 1HG1 VAL 41 1HG1 VAL 41 -3.579 5.602 -4.056
263 2HG1 VAL 41 2HG1 VAL 41 -3.925 6.701 -2.721
264 3HG1 VAL 41 3HG1 VAL 41 -5.192 5.644 -3.344
265 1HG2 VAL 41 1HG2 VAL 41 -1.914 4.504 -0.990
266 2HG2 VAL 41 2HG2 VAL 41 -1.792 5.545 -2.408
267 3HG2 VAL 41 3HG2 VAL 41 -1.804 3.792 -2.601
268 H VAL 42 H VAL 42 -6.367 3.447 -0.988
269 HA VAL 42 HA VAL 42 -8.229 5.609 -1.730
270 HB VAL 42 HB VAL 42 -8.592 2.614 -1.410
271 1HG1 VAL 42 1HG1 VAL 42 -10.775 3.200 -1.112
272 2HG1 VAL 42 2HG1 VAL 42 -10.737 3.481 -2.852
273 3HG1 VAL 42 3HG1 VAL 42 -10.523 4.830 -1.736
274 1HG2 VAL 42 1HG2 VAL 42 -9.142 3.298 -4.013
275 2HG2 VAL 42 2HG2 VAL 42 -7.583 2.698 -3.448
276 3HG2 VAL 42 3HG2 VAL 42 -7.854 4.434 -3.611
277 H GLU 43 H GLU 43 -7.094 4.205 1.119
278 HA GLU 43 HA GLU 43 -9.618 4.509 2.615
279 1HB GLU 43 2HB GLU 43 -6.948 3.326 3.109
280 2HB GLU 43 1HB GLU 43 -7.721 4.058 4.515
281 1HG GLU 43 2HG GLU 43 -9.592 2.469 2.934
282 2HG GLU 43 1HG GLU 43 -8.231 1.511 3.520
283 H SER 44 H SER 44 -6.651 6.292 2.036
284 HA SER 44 HA SER 44 -7.363 8.208 4.197
285 1HB SER 44 2HB SER 44 -4.889 7.305 3.025
286 2HB SER 44 1HB SER 44 -5.015 9.055 2.874
287 HG SER 44 HG SER 44 -5.723 8.888 5.194
288 H ASN 45 H ASN 45 -8.746 7.934 1.495
289 HA ASN 45 HA ASN 45 -9.840 9.512 0.126
290 1HB ASN 45 2HB ASN 45 -9.102 11.029 2.271
291 2HB ASN 45 1HB ASN 45 -8.190 11.815 0.982
292 1HD2 ASN 45 1HD2 ASN 45 -10.520 12.981 2.353
293 2HD2 ASN 45 2HD2 ASN 45 -11.719 13.206 1.172
294 H GLY 46 H GLY 46 -7.194 8.164 -0.394
295 1HA GLY 46 2HA GLY 46 -5.743 8.078 -2.250
296 2HA GLY 46 1HA GLY 46 -6.668 9.406 -2.950
297 H THR 47 H THR 47 -5.409 9.870 0.243
298 HA THR 47 HA THR 47 -3.451 11.800 -0.916
299 HB THR 47 HB THR 47 -5.303 12.518 0.742
300 HG1 THR 47 1HG THR 47 -3.605 13.866 0.257
301 1HG2 THR 47 1HG2 THR 47 -4.035 10.512 2.295
302 2HG2 THR 47 2HG2 THR 47 -5.335 11.594 2.789
303 3HG2 THR 47 3HG2 THR 47 -3.654 12.057 3.053
304 H LEU 48 H LEU 48 -2.911 8.924 -0.699
305 HA LEU 48 HA LEU 48 -0.773 8.938 1.389
306 1HB LEU 48 2HB LEU 48 -2.464 7.099 1.517
307 2HB LEU 48 1HB LEU 48 -1.963 6.572 -0.090
308 HG LEU 48 HG LEU 48 0.428 6.488 0.904
309 1HD1 LEU 48 1HD1 LEU 48 -1.291 6.897 3.323
310 2HD1 LEU 48 2HD1 LEU 48 0.327 7.511 2.985
311 3HD1 LEU 48 3HD1 LEU 48 0.103 5.824 3.453
312 1HD2 LEU 48 1HD2 LEU 48 -0.073 4.305 0.667
313 2HD2 LEU 48 2HD2 LEU 48 -1.784 4.628 0.944
314 3HD2 LEU 48 3HD2 LEU 48 -0.712 4.320 2.310
315 H THR 49 H THR 49 1.344 8.113 0.742
316 HA THR 49 HA THR 49 1.798 8.103 -2.206
317 HB THR 49 HB THR 49 3.986 9.349 -1.608
318 HG1 THR 49 1HG THR 49 3.442 10.786 0.249
319 1HG2 THR 49 1HG2 THR 49 1.331 10.220 -2.233
320 2HG2 THR 49 2HG2 THR 49 2.865 10.947 -2.707
321 3HG2 THR 49 3HG2 THR 49 2.095 11.423 -1.192
322 H LEU 50 H LEU 50 4.507 7.705 -2.206
323 HA LEU 50 HA LEU 50 4.841 5.129 -0.730
324 1HB LEU 50 2HB LEU 50 4.596 4.832 -3.184
325 2HB LEU 50 1HB LEU 50 5.946 5.935 -3.445
326 HG LEU 50 HG LEU 50 7.430 4.406 -2.187
327 1HD1 LEU 50 1HD1 LEU 50 6.490 2.073 -1.750
328 2HD1 LEU 50 2HD1 LEU 50 4.888 2.774 -1.985
329 3HD1 LEU 50 3HD1 LEU 50 5.915 3.342 -0.668
330 1HD2 LEU 50 1HD2 LEU 50 7.474 2.591 -3.867
331 2HD2 LEU 50 2HD2 LEU 50 7.227 4.162 -4.629
332 3HD2 LEU 50 3HD2 LEU 50 5.863 3.064 -4.412
333 H SER 51 H SER 51 7.236 4.641 -0.360
334 HA SER 51 HA SER 51 8.834 7.145 -0.077
335 1HB SER 51 2HB SER 51 7.693 5.644 2.051
336 2HB SER 51 1HB SER 51 9.431 5.362 2.088
337 HG SER 51 HG SER 51 9.537 7.269 2.947
338 H HIS 52 H HIS 52 8.744 3.680 -0.598
339 HA HIS 52 HA HIS 52 11.194 3.658 -2.035
340 1HB HIS 52 2HB HIS 52 12.561 3.881 -0.190
341 2HB HIS 52 1HB HIS 52 11.358 3.226 0.912
342 HD1 HIS 52 1HD HIS 52 11.138 0.595 1.002
343 HD2 HIS 52 2HD HIS 52 14.379 1.990 -1.216
344 HE1 HIS 52 1HE HIS 52 12.683 -1.379 0.680
345 H PHE 53 H PHE 53 10.310 2.212 -3.459
346 HA PHE 53 HA PHE 53 8.480 0.159 -3.008
347 1HB PHE 53 2HB PHE 53 10.250 0.916 -5.117
348 2HB PHE 53 1HB PHE 53 10.403 -0.825 -4.887
349 HD1 PHE 53 1HD PHE 53 8.136 1.920 -5.811
350 HD2 PHE 53 2HD PHE 53 8.480 -2.317 -5.189
351 HE1 PHE 53 1HE PHE 53 5.973 1.572 -6.974
352 HE2 PHE 53 2HE PHE 53 6.316 -2.663 -6.352
353 HZ PHE 53 HZ PHE 53 5.063 -0.718 -7.244
354 H GLY 54 H GLY 54 8.936 -0.863 -0.998
355 1HA GLY 54 2HA GLY 54 9.988 -3.314 -0.804
356 2HA GLY 54 1HA GLY 54 11.471 -2.360 -0.741
357 H LYS 55 H LYS 55 11.310 -3.631 1.485
358 HA LYS 55 HA LYS 55 9.535 -2.414 3.457
359 1HB LYS 55 2HB LYS 55 10.232 -4.729 3.758
360 2HB LYS 55 1HB LYS 55 11.930 -4.248 3.758
361 1HG LYS 55 2HG LYS 55 10.548 -2.657 5.695
362 2HG LYS 55 1HG LYS 55 10.141 -4.351 5.973
363 1HD LYS 55 2HD LYS 55 12.995 -3.521 5.489
364 2HD LYS 55 1HD LYS 55 12.286 -3.405 7.100
365 1HE LYS 55 2HE LYS 55 11.785 -5.767 7.126
366 2HE LYS 55 1HE LYS 55 12.245 -5.934 5.432
367 1HZ LYS 55 1HZ LYS 55 14.502 -5.382 5.991
368 2HZ LYS 55 2HZ LYS 55 13.989 -6.669 6.974
369 3HZ LYS 55 3HZ LYS 55 14.083 -5.096 7.609
370 H CYS 56 H CYS 56 9.921 -0.441 4.332
371 HA CYS 56 HA CYS 56 12.703 0.297 4.993
372 1HB CYS 56 2HB CYS 56 12.926 1.839 3.370
373 2HB CYS 56 1HB CYS 56 11.407 1.288 2.684
Start of MODEL 11
1 1H ALA 3 1HT ALA 3 2.088 10.686 -9.546
2 2H ALA 3 2HT ALA 3 0.963 9.412 -9.545
3 3H ALA 3 3HT ALA 3 2.440 9.243 -10.367
4 HA ALA 3 HA ALA 3 3.085 9.899 -7.751
5 1HB ALA 3 1HB ALA 3 1.848 8.465 -6.388
6 2HB ALA 3 2HB ALA 3 1.340 7.455 -7.742
7 3HB ALA 3 3HB ALA 3 0.607 9.041 -7.501
8 H VAL 4 H VAL 4 4.494 9.241 -9.998
9 HA VAL 4 HA VAL 4 6.206 7.812 -10.724
10 HB VAL 4 HB VAL 4 5.698 6.511 -8.031
11 1HG1 VAL 4 1HG1 VAL 4 7.001 4.901 -9.009
12 2HG1 VAL 4 2HG1 VAL 4 8.298 6.028 -8.609
13 3HG1 VAL 4 3HG1 VAL 4 7.621 6.005 -10.238
14 1HG2 VAL 4 1HG2 VAL 4 8.131 8.081 -8.380
15 2HG2 VAL 4 2HG2 VAL 4 6.902 8.195 -7.120
16 3HG2 VAL 4 3HG2 VAL 4 6.684 9.054 -8.645
17 H SER 5 H SER 5 3.496 7.251 -11.514
18 HA SER 5 HA SER 5 2.285 5.544 -12.579
19 1HB SER 5 2HB SER 5 5.095 4.734 -12.675
20 2HB SER 5 1HB SER 5 3.993 3.360 -12.701
21 HG SER 5 HG SER 5 3.666 3.871 -14.706
22 H VAL 6 H VAL 6 0.718 4.407 -11.535
23 HA VAL 6 HA VAL 6 1.494 2.355 -9.556
24 HB VAL 6 HB VAL 6 1.277 4.305 -8.131
25 1HG1 VAL 6 1HG1 VAL 6 -0.247 5.963 -8.457
26 2HG1 VAL 6 2HG1 VAL 6 -1.556 4.823 -8.773
27 3HG1 VAL 6 3HG1 VAL 6 -0.429 5.250 -10.059
28 1HG2 VAL 6 1HG2 VAL 6 -1.381 3.353 -7.493
29 2HG2 VAL 6 2HG2 VAL 6 0.129 3.076 -6.625
30 3HG2 VAL 6 3HG2 VAL 6 -0.345 1.998 -7.938
31 H ASP 7 H ASP 7 0.496 0.693 -10.684
32 HA ASP 7 HA ASP 7 -2.044 0.992 -12.033
33 1HB ASP 7 2HB ASP 7 -0.145 -0.821 -12.321
34 2HB ASP 7 1HB ASP 7 -1.049 -1.671 -11.067
35 H CYS 8 H CYS 8 -3.601 1.764 -10.571
36 HA CYS 8 HA CYS 8 -4.648 -0.239 -8.680
37 1HB CYS 8 2HB CYS 8 -2.922 1.795 -7.758
38 2HB CYS 8 1HB CYS 8 -4.547 2.315 -7.314
39 H SER 9 H SER 9 -5.409 1.297 -11.155
40 HA SER 9 HA SER 9 -7.222 3.326 -10.937
41 1HB SER 9 2HB SER 9 -7.164 2.612 -13.107
42 2HB SER 9 1HB SER 9 -7.048 0.915 -12.652
43 HG SER 9 HG SER 9 -9.109 0.812 -12.996
44 H GLU 10 H GLU 10 -8.187 3.226 -8.816
45 HA GLU 10 HA GLU 10 -9.981 2.790 -7.369
46 1HB GLU 10 2HB GLU 10 -11.351 1.306 -9.598
47 2HB GLU 10 1HB GLU 10 -12.056 2.346 -8.360
48 1HG GLU 10 2HG GLU 10 -12.027 4.007 -9.885
49 2HG GLU 10 1HG GLU 10 -10.269 4.008 -9.725
50 H TYR 11 H TYR 11 -8.246 1.190 -6.521
51 HA TYR 11 HA TYR 11 -9.391 -1.575 -6.692
52 1HB TYR 11 2HB TYR 11 -6.761 -0.684 -7.346
53 2HB TYR 11 1HB TYR 11 -6.648 -1.679 -5.893
54 HD1 TYR 11 1HD TYR 11 -8.077 -1.608 -9.344
55 HD2 TYR 11 2HD TYR 11 -6.844 -4.032 -6.019
56 HE1 TYR 11 1HE TYR 11 -8.384 -3.650 -10.717
57 HE2 TYR 11 2HE TYR 11 -7.153 -6.072 -7.393
58 HH TYR 11 HH TYR 11 -7.679 -5.926 -10.804
59 HA PRO 12 HA PRO 12 -9.210 -0.134 -2.243
60 1HB PRO 12 2HB PRO 12 -11.919 -0.123 -1.804
61 2HB PRO 12 1HB PRO 12 -11.020 1.295 -2.369
62 1HG PRO 12 2HG PRO 12 -12.837 -0.508 -3.903
63 2HG PRO 12 1HG PRO 12 -12.444 1.194 -4.190
64 1HD PRO 12 2HD PRO 12 -11.373 -1.010 -5.604
65 2HD PRO 12 1HD PRO 12 -10.755 0.654 -5.633
66 H LYS 13 H LYS 13 -8.424 -2.263 -1.676
67 HA LYS 13 HA LYS 13 -10.371 -4.047 -0.536
68 1HB LYS 13 2HB LYS 13 -9.419 -5.959 -2.188
69 2HB LYS 13 1HB LYS 13 -10.907 -5.073 -2.517
70 1HG LYS 13 2HG LYS 13 -9.735 -3.516 -3.957
71 2HG LYS 13 1HG LYS 13 -8.177 -4.212 -3.512
72 1HD LYS 13 2HD LYS 13 -8.375 -5.772 -5.119
73 2HD LYS 13 1HD LYS 13 -9.915 -6.308 -4.445
74 1HE LYS 13 2HE LYS 13 -10.035 -3.751 -5.921
75 2HE LYS 13 1HE LYS 13 -9.643 -5.159 -6.909
76 1HZ LYS 13 1HZ LYS 13 -11.636 -6.146 -6.463
77 2HZ LYS 13 2HZ LYS 13 -12.110 -4.516 -6.419
78 3HZ LYS 13 3HZ LYS 13 -11.835 -5.364 -4.971
79 H CYS 14 H CYS 14 -9.085 -4.195 1.282
80 HA CYS 14 HA CYS 14 -6.230 -4.931 0.909
81 1HB CYS 14 2HB CYS 14 -6.568 -4.839 3.640
82 2HB CYS 14 1HB CYS 14 -5.985 -3.508 2.650
83 H ALA 15 H ALA 15 -8.355 -6.818 0.304
84 HA ALA 15 HA ALA 15 -8.128 -8.794 2.512
85 1HB ALA 15 1HB ALA 15 -9.653 -9.140 -0.074
86 2HB ALA 15 2HB ALA 15 -10.336 -8.279 1.306
87 3HB ALA 15 3HB ALA 15 -9.900 -9.980 1.457
88 H CYS 16 H CYS 16 -6.037 -7.917 0.346
89 HA CYS 16 HA CYS 16 -5.566 -10.475 -1.032
90 1HB CYS 16 2HB CYS 16 -3.911 -7.935 -0.960
91 2HB CYS 16 1HB CYS 16 -3.610 -9.325 -2.003
92 H THR 17 H THR 17 -3.728 -11.803 -0.643
93 HA THR 17 HA THR 17 -1.873 -11.168 1.519
94 HB THR 17 HB THR 17 -3.964 -11.958 2.709
95 HG1 THR 17 1HG THR 17 -2.011 -12.203 3.730
96 1HG2 THR 17 1HG2 THR 17 -4.348 -13.696 0.785
97 2HG2 THR 17 2HG2 THR 17 -4.774 -14.131 2.439
98 3HG2 THR 17 3HG2 THR 17 -3.265 -14.713 1.736
99 H MET 18 H MET 18 -1.968 -12.043 -1.364
100 HA MET 18 HA MET 18 -0.587 -14.672 -1.169
101 1HB MET 18 2HB MET 18 -2.419 -13.623 -3.024
102 2HB MET 18 1HB MET 18 -0.868 -13.649 -3.866
103 1HG MET 18 2HG MET 18 -0.658 -15.955 -3.702
104 2HG MET 18 1HG MET 18 -1.663 -16.047 -2.255
105 1HE MET 18 1HE MET 18 -4.153 -17.605 -2.951
106 2HE MET 18 2HE MET 18 -5.062 -16.099 -3.045
107 3HE MET 18 3HE MET 18 -3.676 -16.217 -1.964
108 H GLU 19 H GLU 19 -0.078 -11.966 -3.425
109 HA GLU 19 HA GLU 19 2.661 -12.336 -3.808
110 1HB GLU 19 2HB GLU 19 0.760 -10.230 -4.305
111 2HB GLU 19 1HB GLU 19 2.278 -9.530 -3.743
112 1HG GLU 19 2HG GLU 19 3.437 -10.213 -5.592
113 2HG GLU 19 1HG GLU 19 2.528 -11.718 -5.730
114 H TYR 20 H TYR 20 4.417 -10.724 -3.010
115 HA TYR 20 HA TYR 20 4.071 -10.001 -0.150
116 1HB TYR 20 2HB TYR 20 5.014 -12.285 -0.163
117 2HB TYR 20 1HB TYR 20 6.304 -11.719 -1.224
118 HD1 TYR 20 1HD TYR 20 4.907 -9.638 1.479
119 HD2 TYR 20 2HD TYR 20 8.117 -12.242 0.316
120 HE1 TYR 20 1HE TYR 20 6.217 -8.901 3.452
121 HE2 TYR 20 2HE TYR 20 9.428 -11.507 2.288
122 HH TYR 20 HH TYR 20 9.267 -10.439 4.306
123 H ARG 21 H ARG 21 4.119 -8.218 -2.104
124 HA ARG 21 HA ARG 21 6.846 -7.253 -2.614
125 1HB ARG 21 2HB ARG 21 4.156 -6.003 -3.248
126 2HB ARG 21 1HB ARG 21 5.717 -5.439 -3.848
127 1HG ARG 21 2HG ARG 21 4.573 -8.203 -4.344
128 2HG ARG 21 1HG ARG 21 4.534 -6.875 -5.504
129 1HD ARG 21 2HD ARG 21 6.574 -7.519 -6.204
130 2HD ARG 21 1HD ARG 21 7.203 -7.026 -4.633
131 HE ARG 21 HE ARG 21 6.188 -9.580 -4.201
132 1HH1 ARG 21 1HH2 ARG 21 6.992 -9.909 -7.124
133 2HH1 ARG 21 2HH2 ARG 21 8.606 -10.516 -6.959
134 1HH2 ARG 21 1HH1 ARG 21 8.902 -9.583 -3.635
135 2HH2 ARG 21 2HH1 ARG 21 9.688 -10.329 -4.986
136 HA PRO 22 HA PRO 22 6.532 -4.933 1.238
137 1HB PRO 22 2HB PRO 22 9.223 -4.390 1.376
138 2HB PRO 22 1HB PRO 22 8.508 -5.921 1.913
139 1HG PRO 22 2HG PRO 22 10.101 -5.352 -0.540
140 2HG PRO 22 1HG PRO 22 9.902 -6.875 0.340
141 1HD PRO 22 2HD PRO 22 8.588 -6.157 -2.067
142 2HD PRO 22 1HD PRO 22 8.177 -7.528 -1.018
143 H LEU 23 H LEU 23 5.710 -2.888 0.919
144 HA LEU 23 HA LEU 23 7.298 -1.022 -0.796
145 1HB LEU 23 2HB LEU 23 4.368 -0.654 -0.194
146 2HB LEU 23 1HB LEU 23 5.310 0.000 -1.533
147 HG LEU 23 HG LEU 23 5.299 -2.937 -1.454
148 1HD1 LEU 23 1HD1 LEU 23 2.763 -2.066 -2.564
149 2HD1 LEU 23 2HD1 LEU 23 2.859 -1.694 -0.843
150 3HD1 LEU 23 3HD1 LEU 23 3.085 -3.352 -1.400
151 1HD2 LEU 23 1HD2 LEU 23 6.126 -1.446 -3.310
152 2HD2 LEU 23 2HD2 LEU 23 4.453 -0.962 -3.592
153 3HD2 LEU 23 3HD2 LEU 23 4.939 -2.641 -3.831
154 H CYS 24 H CYS 24 8.026 0.808 0.215
155 HA CYS 24 HA CYS 24 7.357 1.145 3.070
156 1HB CYS 24 2HB CYS 24 9.726 1.319 2.237
157 2HB CYS 24 1HB CYS 24 9.260 2.770 1.350
158 H GLY 25 H GLY 25 5.175 1.873 2.864
159 1HA GLY 25 2HA GLY 25 4.273 3.949 1.165
160 2HA GLY 25 1HA GLY 25 3.520 3.529 2.705
161 H SER 26 H SER 26 4.020 6.208 1.502
162 HA SER 26 HA SER 26 6.158 7.621 2.634
163 1HB SER 26 2HB SER 26 4.824 8.922 1.234
164 2HB SER 26 1HB SER 26 3.327 8.359 1.972
165 HG SER 26 HG SER 26 5.239 9.879 3.395
166 H ASP 27 H ASP 27 3.548 6.090 4.297
167 HA ASP 27 HA ASP 27 3.673 7.775 6.678
168 1HB ASP 27 2HB ASP 27 2.137 6.190 7.652
169 2HB ASP 27 1HB ASP 27 1.644 6.440 5.976
170 H ASN 28 H ASN 28 6.095 6.099 5.546
171 HA ASN 28 HA ASN 28 7.964 5.088 6.530
172 1HB ASN 28 2HB ASN 28 6.834 6.767 8.508
173 2HB ASN 28 1HB ASN 28 7.210 5.239 9.305
174 1HD2 ASN 28 1HD2 ASN 28 9.458 4.600 9.454
175 2HD2 ASN 28 2HD2 ASN 28 10.721 5.657 9.045
176 H LYS 29 H LYS 29 5.634 3.472 5.835
177 HA LYS 29 HA LYS 29 6.045 1.294 7.828
178 1HB LYS 29 2HB LYS 29 3.749 2.579 7.854
179 2HB LYS 29 1HB LYS 29 3.415 1.595 6.427
180 1HG LYS 29 2HG LYS 29 2.924 -0.133 7.761
181 2HG LYS 29 1HG LYS 29 4.587 -0.122 8.344
182 1HD LYS 29 2HD LYS 29 3.246 2.029 9.626
183 2HD LYS 29 1HD LYS 29 2.200 0.613 9.761
184 1HE LYS 29 2HE LYS 29 3.528 0.102 11.540
185 2HE LYS 29 1HE LYS 29 4.633 -0.494 10.301
186 1HZ LYS 29 1HZ LYS 29 4.902 2.312 10.627
187 2HZ LYS 29 2HZ LYS 29 6.077 1.097 10.791
188 3HZ LYS 29 3HZ LYS 29 5.108 1.527 12.117
189 H THR 30 H THR 30 5.489 -0.879 6.904
190 HA THR 30 HA THR 30 6.164 -0.944 3.996
191 HB THR 30 HB THR 30 6.809 -2.894 6.221
192 HG1 THR 30 1HG THR 30 8.605 -1.819 4.365
193 1HG2 THR 30 1HG2 THR 30 6.418 -3.344 3.371
194 2HG2 THR 30 2HG2 THR 30 6.687 -4.516 4.660
195 3HG2 THR 30 3HG2 THR 30 8.059 -3.740 3.873
196 H TYR 31 H TYR 31 4.766 -2.052 2.654
197 HA TYR 31 HA TYR 31 2.403 -3.321 3.954
198 1HB TYR 31 2HB TYR 31 2.780 -1.909 1.311
199 2HB TYR 31 1HB TYR 31 1.352 -2.870 1.681
200 HD1 TYR 31 1HD TYR 31 2.219 0.370 1.468
201 HD2 TYR 31 2HD TYR 31 0.787 -2.372 4.450
202 HE1 TYR 31 1HE TYR 31 1.265 2.266 2.755
203 HE2 TYR 31 2HE TYR 31 -0.167 -0.478 5.735
204 HH TYR 31 HH TYR 31 0.664 2.708 5.198
205 H GLY 32 H GLY 32 1.554 -5.266 2.935
206 1HA GLY 32 2HA GLY 32 3.658 -7.096 2.129
207 2HA GLY 32 1HA GLY 32 1.939 -7.478 2.227
208 H ASN 33 H ASN 33 1.393 -5.065 0.420
209 HA ASN 33 HA ASN 33 2.683 -5.540 -2.095
210 1HB ASN 33 2HB ASN 33 0.583 -6.578 -3.186
211 2HB ASN 33 1HB ASN 33 1.627 -7.648 -2.251
212 1HD2 ASN 33 1HD2 ASN 33 0.366 -9.022 -0.999
213 2HD2 ASN 33 2HD2 ASN 33 -1.060 -8.579 -0.194
214 H LYS 34 H LYS 34 1.271 -4.581 -3.928
215 HA LYS 34 HA LYS 34 0.491 -1.934 -3.161
216 1HB LYS 34 2HB LYS 34 1.238 -2.127 -5.385
217 2HB LYS 34 1HB LYS 34 0.257 -3.559 -5.687
218 1HG LYS 34 2HG LYS 34 -1.201 -1.059 -4.981
219 2HG LYS 34 1HG LYS 34 -0.454 -1.124 -6.578
220 1HD LYS 34 2HD LYS 34 -2.082 -3.457 -5.609
221 2HD LYS 34 1HD LYS 34 -2.899 -2.036 -6.260
222 1HE LYS 34 2HE LYS 34 -2.564 -3.498 -8.119
223 2HE LYS 34 1HE LYS 34 -1.345 -2.233 -8.275
224 1HZ LYS 34 1HZ LYS 34 -0.634 -4.674 -8.514
225 2HZ LYS 34 2HZ LYS 34 -0.736 -4.722 -6.819
226 3HZ LYS 34 3HZ LYS 34 0.329 -3.638 -7.578
227 H CYS 35 H CYS 35 -1.192 -4.912 -3.064
228 HA CYS 35 HA CYS 35 -3.862 -3.848 -3.450
229 1HB CYS 35 2HB CYS 35 -3.191 -6.281 -3.650
230 2HB CYS 35 1HB CYS 35 -3.038 -6.310 -1.895
231 H ASN 36 H ASN 36 -1.706 -4.356 -0.711
232 HA ASN 36 HA ASN 36 -3.689 -3.479 1.257
233 1HB ASN 36 2HB ASN 36 -1.263 -4.864 1.352
234 2HB ASN 36 1HB ASN 36 -0.885 -3.296 2.056
235 1HD2 ASN 36 1HD2 ASN 36 -3.855 -5.350 2.205
236 2HD2 ASN 36 2HD2 ASN 36 -3.931 -5.366 3.900
237 H PHE 37 H PHE 37 -1.295 -2.135 -0.830
238 HA PHE 37 HA PHE 37 -0.955 0.399 0.527
239 1HB PHE 37 2HB PHE 37 0.697 -0.515 -1.086
240 2HB PHE 37 1HB PHE 37 -0.495 -0.368 -2.377
241 HD1 PHE 37 1HD PHE 37 -1.209 1.852 -3.190
242 HD2 PHE 37 2HD PHE 37 1.810 1.426 -0.162
243 HE1 PHE 37 1HE PHE 37 -0.516 4.205 -3.551
244 HE2 PHE 37 2HE PHE 37 2.503 3.778 -0.524
245 HZ PHE 37 HZ PHE 37 1.342 5.170 -2.216
246 H CYS 38 H CYS 38 -3.146 -0.865 -1.933
247 HA CYS 38 HA CYS 38 -4.312 1.755 -2.484
248 1HB CYS 38 2HB CYS 38 -4.423 -0.832 -3.668
249 2HB CYS 38 1HB CYS 38 -6.070 -0.368 -3.239
250 H CYS 39 H CYS 39 -4.780 -0.743 -0.125
251 HA CYS 39 HA CYS 39 -7.550 -0.102 0.455
252 1HB CYS 39 2HB CYS 39 -6.584 -2.237 1.192
253 2HB CYS 39 1HB CYS 39 -5.421 -1.378 2.201
254 H ALA 40 H ALA 40 -4.417 0.960 1.711
255 HA ALA 40 HA ALA 40 -5.686 2.786 3.628
256 1HB ALA 40 1HB ALA 40 -2.906 1.963 2.951
257 2HB ALA 40 2HB ALA 40 -3.682 2.121 4.528
258 3HB ALA 40 3HB ALA 40 -3.122 3.557 3.672
259 H VAL 41 H VAL 41 -4.433 2.961 0.357
260 HA VAL 41 HA VAL 41 -4.178 5.865 0.382
261 HB VAL 41 HB VAL 41 -4.394 3.975 -1.981
262 1HG1 VAL 41 1HG1 VAL 41 -4.527 5.903 -3.152
263 2HG1 VAL 41 2HG1 VAL 41 -2.866 6.215 -2.649
264 3HG1 VAL 41 3HG1 VAL 41 -4.208 6.875 -1.716
265 1HG2 VAL 41 1HG2 VAL 41 -2.403 4.022 -0.094
266 2HG2 VAL 41 2HG2 VAL 41 -1.799 5.188 -1.272
267 3HG2 VAL 41 3HG2 VAL 41 -2.172 3.539 -1.774
268 H VAL 42 H VAL 42 -6.582 3.562 -0.831
269 HA VAL 42 HA VAL 42 -8.337 5.651 -1.802
270 HB VAL 42 HB VAL 42 -9.038 2.788 -1.092
271 1HG1 VAL 42 1HG1 VAL 42 -10.922 4.430 -1.417
272 2HG1 VAL 42 2HG1 VAL 42 -10.910 3.122 -2.599
273 3HG1 VAL 42 3HG1 VAL 42 -10.319 4.721 -3.048
274 1HG2 VAL 42 1HG2 VAL 42 -7.389 3.920 -3.207
275 2HG2 VAL 42 2HG2 VAL 42 -8.795 3.088 -3.873
276 3HG2 VAL 42 3HG2 VAL 42 -7.681 2.226 -2.811
277 H GLU 43 H GLU 43 -7.770 4.145 1.288
278 HA GLU 43 HA GLU 43 -10.334 4.949 2.428
279 1HB GLU 43 2HB GLU 43 -9.622 3.918 4.368
280 2HB GLU 43 1HB GLU 43 -8.541 3.123 3.229
281 1HG GLU 43 2HG GLU 43 -6.938 3.822 4.706
282 2HG GLU 43 1HG GLU 43 -7.070 5.330 3.799
283 H SER 44 H SER 44 -7.194 6.366 1.963
284 HA SER 44 HA SER 44 -7.869 8.692 3.672
285 1HB SER 44 2HB SER 44 -5.421 7.488 2.633
286 2HB SER 44 1HB SER 44 -5.469 9.225 2.359
287 HG SER 44 HG SER 44 -5.012 7.904 4.625
288 H ASN 45 H ASN 45 -8.235 7.643 0.479
289 HA ASN 45 HA ASN 45 -8.987 8.724 -1.447
290 1HB ASN 45 2HB ASN 45 -10.051 10.136 0.782
291 2HB ASN 45 1HB ASN 45 -9.583 11.322 -0.436
292 1HD2 ASN 45 1HD2 ASN 45 -11.249 11.735 -1.886
293 2HD2 ASN 45 2HD2 ASN 45 -12.411 10.605 -2.389
294 H GLY 46 H GLY 46 -6.115 8.996 -0.696
295 1HA GLY 46 2HA GLY 46 -4.678 10.147 -2.424
296 2HA GLY 46 1HA GLY 46 -5.617 11.598 -2.089
297 H THR 47 H THR 47 -5.352 10.308 0.881
298 HA THR 47 HA THR 47 -3.215 12.147 1.614
299 HB THR 47 HB THR 47 -4.162 10.136 3.584
300 HG1 THR 47 1HG THR 47 -5.820 12.080 2.360
301 1HG2 THR 47 1HG2 THR 47 -3.925 11.894 5.069
302 2HG2 THR 47 2HG2 THR 47 -4.359 13.106 3.863
303 3HG2 THR 47 3HG2 THR 47 -2.756 12.372 3.837
304 H LEU 48 H LEU 48 -3.489 8.717 2.583
305 HA LEU 48 HA LEU 48 -0.752 8.315 3.055
306 1HB LEU 48 2HB LEU 48 -2.917 6.717 3.249
307 2HB LEU 48 1HB LEU 48 -2.198 6.049 1.783
308 HG LEU 48 HG LEU 48 0.021 6.268 3.304
309 1HD1 LEU 48 1HD1 LEU 48 -2.319 6.292 5.137
310 2HD1 LEU 48 2HD1 LEU 48 -0.686 6.908 5.387
311 3HD1 LEU 48 3HD1 LEU 48 -1.013 5.184 5.557
312 1HD2 LEU 48 1HD2 LEU 48 -1.294 3.829 4.076
313 2HD2 LEU 48 2HD2 LEU 48 -0.027 4.059 2.872
314 3HD2 LEU 48 3HD2 LEU 48 -1.720 4.210 2.407
315 H THR 49 H THR 49 0.960 7.413 1.736
316 HA THR 49 HA THR 49 0.480 7.250 -1.175
317 HB THR 49 HB THR 49 2.125 8.898 -1.768
318 HG1 THR 49 1HG THR 49 2.816 10.107 0.369
319 1HG2 THR 49 1HG2 THR 49 -0.221 9.636 -1.052
320 2HG2 THR 49 2HG2 THR 49 1.023 10.887 -1.070
321 3HG2 THR 49 3HG2 THR 49 0.526 10.160 0.459
322 H LEU 50 H LEU 50 3.230 7.362 -1.864
323 HA LEU 50 HA LEU 50 4.196 4.799 -0.672
324 1HB LEU 50 2HB LEU 50 3.680 5.030 -3.197
325 2HB LEU 50 1HB LEU 50 5.123 6.038 -3.273
326 HG LEU 50 HG LEU 50 6.418 4.149 -2.239
327 1HD1 LEU 50 1HD1 LEU 50 4.444 3.027 -1.198
328 2HD1 LEU 50 2HD1 LEU 50 5.389 1.925 -2.198
329 3HD1 LEU 50 3HD1 LEU 50 3.876 2.591 -2.810
330 1HD2 LEU 50 1HD2 LEU 50 5.044 4.012 -4.893
331 2HD2 LEU 50 2HD2 LEU 50 6.011 2.627 -4.383
332 3HD2 LEU 50 3HD2 LEU 50 6.759 4.218 -4.530
333 H SER 51 H SER 51 6.668 4.662 -0.526
334 HA SER 51 HA SER 51 7.959 7.318 -0.269
335 1HB SER 51 2HB SER 51 6.898 6.044 1.948
336 2HB SER 51 1HB SER 51 8.600 5.601 2.005
337 HG SER 51 HG SER 51 8.821 8.013 1.472
338 H HIS 52 H HIS 52 8.291 3.838 -0.677
339 HA HIS 52 HA HIS 52 10.776 4.072 -2.019
340 1HB HIS 52 2HB HIS 52 12.020 4.628 -0.157
341 2HB HIS 52 1HB HIS 52 10.918 3.821 0.954
342 HD1 HIS 52 1HD HIS 52 11.746 1.663 1.871
343 HD2 HIS 52 2HD HIS 52 13.578 2.568 -1.764
344 HE1 HIS 52 1HE HIS 52 13.433 -0.172 1.445
345 H PHE 53 H PHE 53 10.178 2.440 -3.363
346 HA PHE 53 HA PHE 53 8.740 0.099 -2.744
347 1HB PHE 53 2HB PHE 53 10.277 1.114 -4.965
348 2HB PHE 53 1HB PHE 53 10.644 -0.594 -4.730
349 HD1 PHE 53 1HD PHE 53 9.501 -1.440 -6.673
350 HD2 PHE 53 2HD PHE 53 7.429 0.992 -3.804
351 HE1 PHE 53 1HE PHE 53 7.337 -2.054 -7.718
352 HE2 PHE 53 2HE PHE 53 5.264 0.380 -4.849
353 HZ PHE 53 HZ PHE 53 5.218 -1.145 -6.805
354 H GLY 54 H GLY 54 9.360 -1.182 -1.015
355 1HA GLY 54 2HA GLY 54 11.037 -3.184 -0.840
356 2HA GLY 54 1HA GLY 54 12.247 -1.900 -0.773
357 H LYS 55 H LYS 55 11.983 -3.681 1.371
358 HA LYS 55 HA LYS 55 10.230 -2.686 3.433
359 1HB LYS 55 2HB LYS 55 11.103 -4.943 3.597
360 2HB LYS 55 1HB LYS 55 12.763 -4.348 3.576
361 1HG LYS 55 2HG LYS 55 11.823 -4.938 5.876
362 2HG LYS 55 1HG LYS 55 12.528 -3.330 5.723
363 1HD LYS 55 2HD LYS 55 10.527 -2.286 6.017
364 2HD LYS 55 1HD LYS 55 9.656 -3.475 5.048
365 1HE LYS 55 2HE LYS 55 9.011 -3.498 7.478
366 2HE LYS 55 1HE LYS 55 9.628 -5.047 6.899
367 1HZ LYS 55 1HZ LYS 55 10.581 -4.320 9.053
368 2HZ LYS 55 2HZ LYS 55 11.293 -2.999 8.256
369 3HZ LYS 55 3HZ LYS 55 11.748 -4.584 7.850
370 H CYS 56 H CYS 56 10.461 -0.798 4.545
371 HA CYS 56 HA CYS 56 12.833 0.838 4.231
372 1HB CYS 56 2HB CYS 56 10.186 1.105 5.463
373 2HB CYS 56 1HB CYS 56 11.460 1.897 6.391
Start of MODEL 12
1 1H ALA 3 1HT ALA 3 5.763 11.670 -8.579
2 2H ALA 3 2HT ALA 3 7.082 12.693 -8.900
3 3H ALA 3 3HT ALA 3 6.867 12.039 -7.347
4 HA ALA 3 HA ALA 3 7.938 10.800 -9.763
5 1HB ALA 3 1HB ALA 3 9.509 11.328 -8.045
6 2HB ALA 3 2HB ALA 3 9.239 9.590 -7.914
7 3HB ALA 3 3HB ALA 3 8.452 10.692 -6.783
8 H VAL 4 H VAL 4 7.892 8.451 -9.953
9 HA VAL 4 HA VAL 4 6.769 6.404 -10.015
10 HB VAL 4 HB VAL 4 7.184 6.998 -7.361
11 1HG1 VAL 4 1HG1 VAL 4 5.263 6.853 -6.086
12 2HG1 VAL 4 2HG1 VAL 4 4.383 5.956 -7.322
13 3HG1 VAL 4 3HG1 VAL 4 4.607 7.695 -7.487
14 1HG2 VAL 4 1HG2 VAL 4 6.973 4.667 -7.021
15 2HG2 VAL 4 2HG2 VAL 4 7.378 4.825 -8.731
16 3HG2 VAL 4 3HG2 VAL 4 5.712 4.519 -8.245
17 H SER 5 H SER 5 4.611 5.495 -10.335
18 HA SER 5 HA SER 5 2.306 7.295 -10.047
19 1HB SER 5 2HB SER 5 2.738 6.315 -12.831
20 2HB SER 5 1HB SER 5 1.917 7.768 -12.268
21 HG SER 5 HG SER 5 4.237 7.744 -13.271
22 H VAL 6 H VAL 6 1.138 5.731 -8.957
23 HA VAL 6 HA VAL 6 0.736 3.129 -10.383
24 HB VAL 6 HB VAL 6 1.802 2.778 -8.219
25 1HG1 VAL 6 1HG1 VAL 6 0.280 3.488 -6.184
26 2HG1 VAL 6 2HG1 VAL 6 -0.343 4.681 -7.325
27 3HG1 VAL 6 3HG1 VAL 6 1.372 4.664 -6.916
28 1HG2 VAL 6 1HG2 VAL 6 0.274 1.038 -8.666
29 2HG2 VAL 6 2HG2 VAL 6 -1.125 2.087 -8.447
30 3HG2 VAL 6 3HG2 VAL 6 -0.186 1.567 -7.048
31 H ASP 7 H ASP 7 -1.409 2.450 -10.690
32 HA ASP 7 HA ASP 7 -3.469 4.523 -10.066
33 1HB ASP 7 2HB ASP 7 -4.712 2.990 -11.893
34 2HB ASP 7 1HB ASP 7 -3.658 4.328 -12.347
35 H CYS 8 H CYS 8 -4.023 3.771 -7.977
36 HA CYS 8 HA CYS 8 -5.083 0.983 -7.816
37 1HB CYS 8 2HB CYS 8 -4.375 2.941 -5.607
38 2HB CYS 8 1HB CYS 8 -4.931 1.285 -5.370
39 H SER 9 H SER 9 -6.482 3.296 -9.053
40 HA SER 9 HA SER 9 -8.559 4.114 -7.174
41 1HB SER 9 2HB SER 9 -9.020 4.387 -10.091
42 2HB SER 9 1HB SER 9 -9.208 5.576 -8.805
43 HG SER 9 HG SER 9 -7.210 5.333 -10.488
44 H GLU 10 H GLU 10 -8.346 1.212 -7.492
45 HA GLU 10 HA GLU 10 -11.154 0.692 -8.113
46 1HB GLU 10 2HB GLU 10 -9.451 0.396 -10.214
47 2HB GLU 10 1HB GLU 10 -9.337 -1.207 -9.486
48 1HG GLU 10 2HG GLU 10 -11.793 -1.417 -9.539
49 2HG GLU 10 1HG GLU 10 -11.919 0.190 -10.254
50 H TYR 11 H TYR 11 -9.008 0.500 -5.914
51 HA TYR 11 HA TYR 11 -9.657 -2.318 -5.152
52 1HB TYR 11 2HB TYR 11 -7.045 -0.879 -5.208
53 2HB TYR 11 1HB TYR 11 -7.342 -1.973 -3.863
54 HD1 TYR 11 1HD TYR 11 -7.590 -1.813 -7.597
55 HD2 TYR 11 2HD TYR 11 -6.947 -4.270 -4.133
56 HE1 TYR 11 1HE TYR 11 -7.071 -3.744 -9.063
57 HE2 TYR 11 2HE TYR 11 -6.428 -6.203 -5.600
58 HH TYR 11 HH TYR 11 -5.627 -5.960 -8.736
59 HA PRO 12 HA PRO 12 -10.836 0.748 -1.846
60 1HB PRO 12 2HB PRO 12 -13.542 0.293 -1.947
61 2HB PRO 12 1HB PRO 12 -12.721 1.526 -2.923
62 1HG PRO 12 2HG PRO 12 -13.829 -1.108 -3.772
63 2HG PRO 12 1HG PRO 12 -13.569 0.358 -4.729
64 1HD PRO 12 2HD PRO 12 -11.906 -1.947 -4.709
65 2HD PRO 12 1HD PRO 12 -11.521 -0.377 -5.441
66 H LYS 13 H LYS 13 -10.123 -2.259 -1.861
67 HA LYS 13 HA LYS 13 -11.789 -3.076 0.449
68 1HB LYS 13 2HB LYS 13 -11.441 -5.362 -0.246
69 2HB LYS 13 1HB LYS 13 -12.036 -4.460 -1.638
70 1HG LYS 13 2HG LYS 13 -9.389 -4.068 -1.968
71 2HG LYS 13 1HG LYS 13 -9.349 -5.634 -1.159
72 1HD LYS 13 2HD LYS 13 -11.231 -6.267 -2.870
73 2HD LYS 13 1HD LYS 13 -10.603 -4.900 -3.789
74 1HE LYS 13 2HE LYS 13 -8.324 -5.904 -3.660
75 2HE LYS 13 1HE LYS 13 -9.019 -7.305 -2.846
76 1HZ LYS 13 1HZ LYS 13 -9.630 -6.344 -5.586
77 2HZ LYS 13 2HZ LYS 13 -10.493 -7.579 -4.799
78 3HZ LYS 13 3HZ LYS 13 -8.846 -7.786 -5.160
79 H CYS 14 H CYS 14 -9.883 -5.245 0.726
80 HA CYS 14 HA CYS 14 -7.230 -4.438 1.203
81 1HB CYS 14 2HB CYS 14 -8.962 -3.062 2.896
82 2HB CYS 14 1HB CYS 14 -8.346 -4.372 3.905
83 H ALA 15 H ALA 15 -7.584 -6.811 0.432
84 HA ALA 15 HA ALA 15 -7.276 -8.536 2.812
85 1HB ALA 15 1HB ALA 15 -9.505 -9.064 2.652
86 2HB ALA 15 2HB ALA 15 -8.889 -10.187 1.440
87 3HB ALA 15 3HB ALA 15 -9.590 -8.647 0.941
88 H CYS 16 H CYS 16 -5.078 -8.211 1.548
89 HA CYS 16 HA CYS 16 -4.881 -10.505 -0.359
90 1HB CYS 16 2HB CYS 16 -3.492 -7.825 -0.585
91 2HB CYS 16 1HB CYS 16 -3.081 -9.248 -1.546
92 H THR 17 H THR 17 -3.088 -11.793 -0.110
93 HA THR 17 HA THR 17 -0.826 -11.023 1.551
94 HB THR 17 HB THR 17 -2.379 -11.522 3.353
95 HG1 THR 17 1HG THR 17 -0.496 -12.327 3.954
96 1HG2 THR 17 1HG2 THR 17 -3.381 -13.420 1.487
97 2HG2 THR 17 2HG2 THR 17 -4.036 -13.012 3.072
98 3HG2 THR 17 3HG2 THR 17 -2.855 -14.312 2.913
99 H MET 18 H MET 18 -1.542 -12.211 -1.130
100 HA MET 18 HA MET 18 -0.342 -14.905 -0.920
101 1HB MET 18 2HB MET 18 -1.252 -13.531 -3.450
102 2HB MET 18 1HB MET 18 -1.066 -15.259 -3.156
103 1HG MET 18 2HG MET 18 -3.252 -15.304 -2.607
104 2HG MET 18 1HG MET 18 -2.828 -14.388 -1.161
105 1HE MET 18 1HE MET 18 -5.668 -14.008 -3.808
106 2HE MET 18 2HE MET 18 -4.188 -14.791 -4.357
107 3HE MET 18 3HE MET 18 -4.671 -13.247 -5.056
108 H GLU 19 H GLU 19 0.186 -12.406 -3.405
109 HA GLU 19 HA GLU 19 2.892 -13.187 -3.865
110 1HB GLU 19 2HB GLU 19 1.522 -11.876 -5.480
111 2HB GLU 19 1HB GLU 19 1.620 -10.485 -4.398
112 1HG GLU 19 2HG GLU 19 4.038 -10.417 -4.619
113 2HG GLU 19 1HG GLU 19 4.029 -11.906 -5.565
114 H TYR 20 H TYR 20 4.858 -12.254 -3.134
115 HA TYR 20 HA TYR 20 4.564 -10.673 -0.618
116 1HB TYR 20 2HB TYR 20 5.822 -12.990 -0.784
117 2HB TYR 20 1HB TYR 20 7.128 -11.978 -1.404
118 HD1 TYR 20 1HD TYR 20 4.518 -11.237 1.169
119 HD2 TYR 20 2HD TYR 20 8.697 -11.774 0.330
120 HE1 TYR 20 1HE TYR 20 5.074 -10.504 3.472
121 HE2 TYR 20 2HE TYR 20 9.252 -11.043 2.633
122 HH TYR 20 HH TYR 20 8.235 -10.863 4.798
123 H ARG 21 H ARG 21 4.821 -8.577 -1.034
124 HA ARG 21 HA ARG 21 7.287 -7.637 -2.332
125 1HB ARG 21 2HB ARG 21 4.797 -7.708 -3.751
126 2HB ARG 21 1HB ARG 21 5.188 -6.023 -3.408
127 1HG ARG 21 2HG ARG 21 6.787 -6.033 -4.990
128 2HG ARG 21 1HG ARG 21 7.577 -7.407 -4.220
129 1HD ARG 21 2HD ARG 21 5.105 -7.850 -5.867
130 2HD ARG 21 1HD ARG 21 6.665 -7.659 -6.668
131 HE ARG 21 HE ARG 21 6.082 -9.802 -4.666
132 1HH1 ARG 21 1HH1 ARG 21 8.696 -8.483 -6.194
133 2HH1 ARG 21 2HH1 ARG 21 9.181 -9.913 -7.042
134 1HH2 ARG 21 1HH2 ARG 21 6.287 -11.668 -6.273
135 2HH2 ARG 21 2HH2 ARG 21 7.815 -11.717 -7.089
136 HA PRO 22 HA PRO 22 6.054 -5.178 1.297
137 1HB PRO 22 2HB PRO 22 8.642 -4.860 2.178
138 2HB PRO 22 1HB PRO 22 7.621 -6.246 2.593
139 1HG PRO 22 2HG PRO 22 9.894 -6.097 0.664
140 2HG PRO 22 1HG PRO 22 9.290 -7.486 1.584
141 1HD PRO 22 2HD PRO 22 8.784 -6.990 -1.146
142 2HD PRO 22 1HD PRO 22 7.893 -8.133 -0.119
143 H LEU 23 H LEU 23 5.773 -3.001 1.111
144 HA LEU 23 HA LEU 23 7.818 -1.436 -0.417
145 1HB LEU 23 2HB LEU 23 4.799 -1.319 -0.599
146 2HB LEU 23 1HB LEU 23 5.834 -0.016 -1.181
147 HG LEU 23 HG LEU 23 6.810 -2.564 -2.133
148 1HD1 LEU 23 1HD1 LEU 23 4.357 -3.130 -1.853
149 2HD1 LEU 23 2HD1 LEU 23 4.959 -3.252 -3.506
150 3HD1 LEU 23 3HD1 LEU 23 4.004 -1.852 -3.017
151 1HD2 LEU 23 1HD2 LEU 23 7.464 -1.002 -3.627
152 2HD2 LEU 23 2HD2 LEU 23 6.264 0.148 -3.041
153 3HD2 LEU 23 3HD2 LEU 23 5.821 -1.044 -4.263
154 H CYS 24 H CYS 24 8.479 0.424 0.621
155 HA CYS 24 HA CYS 24 7.266 0.999 3.256
156 1HB CYS 24 2HB CYS 24 9.503 2.641 2.112
157 2HB CYS 24 1HB CYS 24 9.212 2.159 3.780
158 H GLY 25 H GLY 25 5.235 1.799 2.362
159 1HA GLY 25 2HA GLY 25 4.820 3.798 0.492
160 2HA GLY 25 1HA GLY 25 3.833 3.641 1.944
161 H SER 26 H SER 26 4.710 6.110 0.599
162 HA SER 26 HA SER 26 6.852 7.453 1.783
163 1HB SER 26 2HB SER 26 5.773 8.729 0.172
164 2HB SER 26 1HB SER 26 4.169 8.325 0.781
165 HG SER 26 HG SER 26 4.654 10.434 1.360
166 H ASP 27 H ASP 27 3.942 6.375 3.326
167 HA ASP 27 HA ASP 27 4.247 8.244 5.583
168 1HB ASP 27 2HB ASP 27 2.271 7.184 6.500
169 2HB ASP 27 1HB ASP 27 1.991 7.476 4.783
170 H ASN 28 H ASN 28 6.358 6.232 4.872
171 HA ASN 28 HA ASN 28 7.787 4.745 5.990
172 1HB ASN 28 2HB ASN 28 7.024 6.769 7.796
173 2HB ASN 28 1HB ASN 28 6.871 5.257 8.692
174 1HD2 ASN 28 1HD2 ASN 28 8.798 4.284 9.412
175 2HD2 ASN 28 2HD2 ASN 28 10.353 4.795 8.961
176 H LYS 29 H LYS 29 5.128 3.812 5.190
177 HA LYS 29 HA LYS 29 4.603 1.815 7.351
178 1HB LYS 29 2HB LYS 29 2.684 3.278 6.694
179 2HB LYS 29 1HB LYS 29 2.795 2.624 5.058
180 1HG LYS 29 2HG LYS 29 1.109 1.360 6.222
181 2HG LYS 29 1HG LYS 29 2.527 0.322 6.061
182 1HD LYS 29 2HD LYS 29 2.569 0.074 8.295
183 2HD LYS 29 1HD LYS 29 2.863 1.804 8.459
184 1HE LYS 29 2HE LYS 29 0.879 1.760 9.590
185 2HE LYS 29 1HE LYS 29 0.194 1.821 7.966
186 1HZ LYS 29 1HZ LYS 29 -0.828 0.029 9.097
187 2HZ LYS 29 2HZ LYS 29 0.661 -0.583 9.638
188 3HZ LYS 29 3HZ LYS 29 0.258 -0.657 7.989
189 H THR 30 H THR 30 4.287 -0.411 6.674
190 HA THR 30 HA THR 30 5.656 -0.998 4.082
191 HB THR 30 HB THR 30 5.458 -2.658 6.611
192 HG1 THR 30 1HG THR 30 7.472 -2.041 6.934
193 1HG2 THR 30 1HG2 THR 30 5.975 -4.458 5.371
194 2HG2 THR 30 2HG2 THR 30 7.370 -3.613 4.696
195 3HG2 THR 30 3HG2 THR 30 5.795 -3.479 3.914
196 H TYR 31 H TYR 31 4.461 -2.032 2.544
197 HA TYR 31 HA TYR 31 1.780 -3.042 3.344
198 1HB TYR 31 2HB TYR 31 2.923 -2.107 0.702
199 2HB TYR 31 1HB TYR 31 1.337 -2.851 0.864
200 HD1 TYR 31 1HD TYR 31 3.307 0.155 1.347
201 HD2 TYR 31 2HD TYR 31 -0.413 -1.762 2.319
202 HE1 TYR 31 1HE TYR 31 2.366 2.339 2.047
203 HE2 TYR 31 2HE TYR 31 -1.355 0.423 3.019
204 HH TYR 31 HH TYR 31 0.284 2.954 3.833
205 H GLY 32 H GLY 32 1.174 -5.151 2.827
206 1HA GLY 32 2HA GLY 32 3.223 -7.134 2.611
207 2HA GLY 32 1HA GLY 32 1.498 -7.432 2.388
208 H ASN 33 H ASN 33 1.371 -5.392 0.205
209 HA ASN 33 HA ASN 33 3.153 -6.124 -1.908
210 1HB ASN 33 2HB ASN 33 1.220 -7.328 -3.228
211 2HB ASN 33 1HB ASN 33 2.216 -8.256 -2.105
212 1HD2 ASN 33 1HD2 ASN 33 0.925 -9.603 -0.852
213 2HD2 ASN 33 2HD2 ASN 33 -0.609 -9.202 -0.250
214 H LYS 34 H LYS 34 1.976 -5.505 -4.108
215 HA LYS 34 HA LYS 34 1.216 -2.782 -3.892
216 1HB LYS 34 2HB LYS 34 0.658 -2.924 -6.266
217 2HB LYS 34 1HB LYS 34 2.138 -3.831 -5.960
218 1HG LYS 34 2HG LYS 34 1.157 -5.843 -6.410
219 2HG LYS 34 1HG LYS 34 -0.385 -5.366 -5.696
220 1HD LYS 34 2HD LYS 34 -0.456 -3.725 -7.783
221 2HD LYS 34 1HD LYS 34 0.633 -4.927 -8.477
222 1HE LYS 34 2HE LYS 34 -1.318 -5.959 -9.066
223 2HE LYS 34 1HE LYS 34 -1.255 -6.558 -7.407
224 1HZ LYS 34 1HZ LYS 34 -3.071 -5.418 -6.917
225 2HZ LYS 34 2HZ LYS 34 -3.214 -4.973 -8.551
226 3HZ LYS 34 3HZ LYS 34 -2.380 -3.968 -7.465
227 H CYS 35 H CYS 35 -0.612 -5.630 -3.363
228 HA CYS 35 HA CYS 35 -3.204 -4.444 -4.032
229 1HB CYS 35 2HB CYS 35 -2.924 -6.898 -4.037
230 2HB CYS 35 1HB CYS 35 -2.532 -6.860 -2.317
231 H ASN 36 H ASN 36 -1.145 -4.779 -1.210
232 HA ASN 36 HA ASN 36 -3.136 -3.635 0.611
233 1HB ASN 36 2HB ASN 36 -0.835 -5.162 0.929
234 2HB ASN 36 1HB ASN 36 -0.338 -3.563 1.478
235 1HD2 ASN 36 1HD2 ASN 36 -2.883 -6.044 1.958
236 2HD2 ASN 36 2HD2 ASN 36 -3.254 -5.583 3.549
237 H PHE 37 H PHE 37 -0.535 -2.581 -1.444
238 HA PHE 37 HA PHE 37 -0.245 0.058 -0.258
239 1HB PHE 37 2HB PHE 37 1.526 -1.088 -1.666
240 2HB PHE 37 1HB PHE 37 0.485 -0.838 -3.067
241 HD1 PHE 37 1HD PHE 37 0.089 1.384 -3.978
242 HD2 PHE 37 2HD PHE 37 2.590 0.823 -0.531
243 HE1 PHE 37 1HE PHE 37 0.942 3.699 -4.219
244 HE2 PHE 37 2HE PHE 37 3.443 3.140 -0.773
245 HZ PHE 37 HZ PHE 37 2.617 4.577 -2.617
246 H CYS 38 H CYS 38 -2.225 -1.440 -2.731
247 HA CYS 38 HA CYS 38 -3.274 1.094 -3.746
248 1HB CYS 38 2HB CYS 38 -4.012 -1.808 -4.153
249 2HB CYS 38 1HB CYS 38 -4.976 -0.501 -4.837
250 H CYS 39 H CYS 39 -3.982 -1.090 -1.153
251 HA CYS 39 HA CYS 39 -6.757 -0.282 -0.811
252 1HB CYS 39 2HB CYS 39 -6.160 -2.416 0.091
253 2HB CYS 39 1HB CYS 39 -4.774 -1.742 0.947
254 H ALA 40 H ALA 40 -3.687 0.509 0.795
255 HA ALA 40 HA ALA 40 -4.864 2.462 2.566
256 1HB ALA 40 1HB ALA 40 -2.392 3.264 2.675
257 2HB ALA 40 2HB ALA 40 -2.048 1.853 1.674
258 3HB ALA 40 3HB ALA 40 -2.764 1.647 3.272
259 H VAL 41 H VAL 41 -3.785 2.495 -0.739
260 HA VAL 41 HA VAL 41 -3.486 5.364 -0.975
261 HB VAL 41 HB VAL 41 -4.002 3.200 -3.035
262 1HG1 VAL 41 1HG1 VAL 41 -3.646 4.805 -4.742
263 2HG1 VAL 41 2HG1 VAL 41 -3.047 6.008 -3.601
264 3HG1 VAL 41 3HG1 VAL 41 -4.761 5.596 -3.629
265 1HG2 VAL 41 1HG2 VAL 41 -1.466 4.735 -2.920
266 2HG2 VAL 41 2HG2 VAL 41 -1.728 3.015 -3.209
267 3HG2 VAL 41 3HG2 VAL 41 -1.759 3.648 -1.562
268 H VAL 42 H VAL 42 -6.155 3.092 -1.333
269 HA VAL 42 HA VAL 42 -7.987 5.152 -2.333
270 HB VAL 42 HB VAL 42 -8.477 2.321 -1.344
271 1HG1 VAL 42 1HG1 VAL 42 -10.633 3.008 -1.202
272 2HG1 VAL 42 2HG1 VAL 42 -10.593 3.049 -2.964
273 3HG1 VAL 42 3HG1 VAL 42 -10.295 4.522 -2.041
274 1HG2 VAL 42 1HG2 VAL 42 -7.889 3.590 -3.987
275 2HG2 VAL 42 2HG2 VAL 42 -9.026 2.242 -3.956
276 3HG2 VAL 42 3HG2 VAL 42 -7.380 2.023 -3.360
277 H GLU 43 H GLU 43 -6.863 4.020 0.713
278 HA GLU 43 HA GLU 43 -9.187 4.898 2.254
279 1HB GLU 43 2HB GLU 43 -6.439 3.867 2.877
280 2HB GLU 43 1HB GLU 43 -7.316 4.737 4.136
281 1HG GLU 43 2HG GLU 43 -9.115 2.897 2.866
282 2HG GLU 43 1HG GLU 43 -7.655 2.029 3.339
283 H SER 44 H SER 44 -6.152 6.259 1.144
284 HA SER 44 HA SER 44 -6.490 8.690 2.782
285 1HB SER 44 2HB SER 44 -4.376 7.553 1.025
286 2HB SER 44 1HB SER 44 -4.472 9.310 1.090
287 HG SER 44 HG SER 44 -4.716 8.580 3.551
288 H ASN 45 H ASN 45 -7.820 7.518 -0.029
289 HA ASN 45 HA ASN 45 -9.159 8.582 -1.641
290 1HB ASN 45 2HB ASN 45 -9.536 10.197 0.369
291 2HB ASN 45 1HB ASN 45 -8.395 11.251 -0.471
292 1HD2 ASN 45 1HD2 ASN 45 -9.028 12.064 -2.621
293 2HD2 ASN 45 2HD2 ASN 45 -10.654 12.046 -3.110
294 H GLY 46 H GLY 46 -6.003 8.483 -1.514
295 1HA GLY 46 2HA GLY 46 -4.715 8.638 -3.598
296 2HA GLY 46 1HA GLY 46 -5.674 10.054 -4.030
297 H THR 47 H THR 47 -4.999 10.279 -0.781
298 HA THR 47 HA THR 47 -2.885 12.277 -1.320
299 HB THR 47 HB THR 47 -3.204 12.732 1.185
300 HG1 THR 47 1HG THR 47 -4.272 11.172 2.095
301 1HG2 THR 47 1HG2 THR 47 -4.733 14.298 0.586
302 2HG2 THR 47 2HG2 THR 47 -5.872 13.088 -0.008
303 3HG2 THR 47 3HG2 THR 47 -4.544 13.629 -1.035
304 H LEU 48 H LEU 48 -2.789 9.082 -0.982
305 HA LEU 48 HA LEU 48 -0.465 9.065 0.891
306 1HB LEU 48 2HB LEU 48 -2.148 7.445 1.502
307 2HB LEU 48 1HB LEU 48 -2.246 6.845 -0.153
308 HG LEU 48 HG LEU 48 0.232 6.252 0.069
309 1HD1 LEU 48 1HD1 LEU 48 0.725 5.797 2.614
310 2HD1 LEU 48 2HD1 LEU 48 -0.453 7.083 2.872
311 3HD1 LEU 48 3HD1 LEU 48 1.012 7.404 1.944
312 1HD2 LEU 48 1HD2 LEU 48 -0.275 4.129 1.079
313 2HD2 LEU 48 2HD2 LEU 48 -1.737 4.653 0.243
314 3HD2 LEU 48 3HD2 LEU 48 -1.614 4.820 1.994
315 H THR 49 H THR 49 1.513 7.997 0.169
316 HA THR 49 HA THR 49 1.661 7.459 -2.754
317 HB THR 49 HB THR 49 3.603 8.873 -3.034
318 HG1 THR 49 1HG THR 49 4.021 10.247 -1.038
319 1HG2 THR 49 1HG2 THR 49 1.550 10.436 -1.453
320 2HG2 THR 49 2HG2 THR 49 1.313 9.919 -3.121
321 3HG2 THR 49 3HG2 THR 49 2.607 11.049 -2.724
322 H LEU 50 H LEU 50 4.486 7.238 -2.785
323 HA LEU 50 HA LEU 50 4.909 4.864 -1.022
324 1HB LEU 50 2HB LEU 50 4.692 4.179 -3.356
325 2HB LEU 50 1HB LEU 50 5.878 5.386 -3.851
326 HG LEU 50 HG LEU 50 7.565 4.229 -2.383
327 1HD1 LEU 50 1HD1 LEU 50 6.226 3.038 -0.822
328 2HD1 LEU 50 2HD1 LEU 50 6.907 1.791 -1.865
329 3HD1 LEU 50 3HD1 LEU 50 5.240 2.320 -2.094
330 1HD2 LEU 50 1HD2 LEU 50 7.301 3.813 -4.865
331 2HD2 LEU 50 2HD2 LEU 50 6.316 2.408 -4.459
332 3HD2 LEU 50 3HD2 LEU 50 8.010 2.466 -3.973
333 H SER 51 H SER 51 7.209 4.544 -0.387
334 HA SER 51 HA SER 51 8.690 7.143 -0.367
335 1HB SER 51 2HB SER 51 7.707 5.735 1.809
336 2HB SER 51 1HB SER 51 9.397 5.246 1.747
337 HG SER 51 HG SER 51 8.503 7.428 2.762
338 H HIS 52 H HIS 52 8.963 3.612 -0.657
339 HA HIS 52 HA HIS 52 11.045 3.566 -2.463
340 1HB HIS 52 2HB HIS 52 12.873 4.337 -1.384
341 2HB HIS 52 1HB HIS 52 11.965 4.500 0.113
342 HD1 HIS 52 1HD HIS 52 11.814 2.267 1.615
343 HD2 HIS 52 2HD HIS 52 14.700 2.228 -1.390
344 HE1 HIS 52 1HE HIS 52 13.358 0.337 2.135
345 H PHE 53 H PHE 53 10.739 1.552 -3.166
346 HA PHE 53 HA PHE 53 9.395 -0.574 -2.069
347 1HB PHE 53 2HB PHE 53 11.310 -0.228 -4.173
348 2HB PHE 53 1HB PHE 53 11.709 -1.707 -3.303
349 HD1 PHE 53 1HD PHE 53 9.332 -2.957 -2.509
350 HD2 PHE 53 2HD PHE 53 9.995 -0.607 -6.042
351 HE1 PHE 53 1HE PHE 53 7.462 -4.131 -3.641
352 HE2 PHE 53 2HE PHE 53 8.125 -1.780 -7.174
353 HZ PHE 53 HZ PHE 53 6.860 -3.542 -5.973
354 H GLY 54 H GLY 54 9.756 -2.074 -0.430
355 1HA GLY 54 2HA GLY 54 11.767 -3.395 0.613
356 2HA GLY 54 1HA GLY 54 12.303 -1.784 1.093
357 H LYS 55 H LYS 55 12.010 -3.207 3.235
358 HA LYS 55 HA LYS 55 9.216 -3.114 4.200
359 1HB LYS 55 2HB LYS 55 11.039 -4.991 4.631
360 2HB LYS 55 1HB LYS 55 11.508 -3.914 5.948
361 1HG LYS 55 2HG LYS 55 9.895 -5.217 7.000
362 2HG LYS 55 1HG LYS 55 8.915 -3.867 6.426
363 1HD LYS 55 2HD LYS 55 7.633 -5.483 5.472
364 2HD LYS 55 1HD LYS 55 8.896 -5.518 4.240
365 1HE LYS 55 2HE LYS 55 9.053 -7.722 4.784
366 2HE LYS 55 1HE LYS 55 9.982 -7.135 6.163
367 1HZ LYS 55 1HZ LYS 55 7.503 -8.448 6.162
368 2HZ LYS 55 2HZ LYS 55 7.279 -6.886 6.792
369 3HZ LYS 55 3HZ LYS 55 8.423 -7.931 7.490
370 H CYS 56 H CYS 56 8.862 -0.847 4.444
371 HA CYS 56 HA CYS 56 9.887 0.268 6.923
372 1HB CYS 56 2HB CYS 56 10.465 2.359 5.070
373 2HB CYS 56 1HB CYS 56 11.566 1.554 6.175
Start of MODEL 13
1 1H ALA 3 1HT ALA 3 1.485 11.313 -4.957
2 2H ALA 3 2HT ALA 3 0.859 12.237 -6.238
3 3H ALA 3 3HT ALA 3 2.341 11.422 -6.417
4 HA ALA 3 HA ALA 3 0.093 9.739 -5.704
5 1HB ALA 3 1HB ALA 3 -0.706 9.716 -8.083
6 2HB ALA 3 2HB ALA 3 0.295 11.135 -8.387
7 3HB ALA 3 3HB ALA 3 -1.047 11.230 -7.246
8 H VAL 4 H VAL 4 2.494 10.476 -8.267
9 HA VAL 4 HA VAL 4 4.218 9.131 -9.128
10 HB VAL 4 HB VAL 4 3.667 7.244 -6.825
11 1HG1 VAL 4 1HG1 VAL 4 5.931 7.784 -8.723
12 2HG1 VAL 4 2HG1 VAL 4 5.250 6.240 -8.214
13 3HG1 VAL 4 3HG1 VAL 4 6.283 7.152 -7.114
14 1HG2 VAL 4 1HG2 VAL 4 4.115 9.901 -6.447
15 2HG2 VAL 4 2HG2 VAL 4 5.776 9.317 -6.567
16 3HG2 VAL 4 3HG2 VAL 4 4.694 8.653 -5.341
17 H SER 5 H SER 5 4.226 7.518 -10.690
18 HA SER 5 HA SER 5 1.788 6.427 -11.608
19 1HB SER 5 2HB SER 5 3.291 4.827 -12.898
20 2HB SER 5 1HB SER 5 3.643 6.537 -13.119
21 HG SER 5 HG SER 5 5.427 4.950 -12.572
22 H VAL 6 H VAL 6 0.557 5.190 -10.230
23 HA VAL 6 HA VAL 6 1.847 2.723 -9.141
24 HB VAL 6 HB VAL 6 1.432 4.472 -7.366
25 1HG1 VAL 6 1HG1 VAL 6 -0.837 4.998 -6.740
26 2HG1 VAL 6 2HG1 VAL 6 -1.483 3.845 -7.909
27 3HG1 VAL 6 3HG1 VAL 6 -0.684 5.316 -8.467
28 1HG2 VAL 6 1HG2 VAL 6 -0.251 1.958 -7.133
29 2HG2 VAL 6 2HG2 VAL 6 0.420 2.894 -5.797
30 3HG2 VAL 6 3HG2 VAL 6 1.495 2.020 -6.889
31 H ASP 7 H ASP 7 0.164 0.994 -8.684
32 HA ASP 7 HA ASP 7 -1.972 1.158 -10.764
33 1HB ASP 7 2HB ASP 7 -0.912 -1.359 -9.465
34 2HB ASP 7 1HB ASP 7 -1.854 -1.220 -10.950
35 H CYS 8 H CYS 8 -3.067 2.435 -8.892
36 HA CYS 8 HA CYS 8 -4.719 0.474 -7.381
37 1HB CYS 8 2HB CYS 8 -3.793 3.090 -6.175
38 2HB CYS 8 1HB CYS 8 -4.615 1.760 -5.361
39 H SER 9 H SER 9 -4.853 2.399 -9.792
40 HA SER 9 HA SER 9 -6.576 4.541 -9.439
41 1HB SER 9 2HB SER 9 -5.780 2.876 -11.622
42 2HB SER 9 1HB SER 9 -7.528 3.081 -11.705
43 HG SER 9 HG SER 9 -6.981 5.402 -11.291
44 H GLU 10 H GLU 10 -7.986 4.084 -7.702
45 HA GLU 10 HA GLU 10 -10.057 3.459 -6.794
46 1HB GLU 10 2HB GLU 10 -10.482 3.689 -9.574
47 2HB GLU 10 1HB GLU 10 -11.223 2.159 -9.103
48 1HG GLU 10 2HG GLU 10 -12.155 3.608 -7.088
49 2HG GLU 10 1HG GLU 10 -11.891 4.939 -8.214
50 H TYR 11 H TYR 11 -8.462 1.786 -5.829
51 HA TYR 11 HA TYR 11 -9.361 -0.948 -6.657
52 1HB TYR 11 2HB TYR 11 -6.741 0.071 -6.614
53 2HB TYR 11 1HB TYR 11 -6.864 -0.959 -5.187
54 HD1 TYR 11 1HD TYR 11 -7.890 -0.962 -8.800
55 HD2 TYR 11 2HD TYR 11 -6.462 -3.237 -5.447
56 HE1 TYR 11 1HE TYR 11 -7.727 -2.977 -10.237
57 HE2 TYR 11 2HE TYR 11 -6.300 -5.252 -6.884
58 HH TYR 11 HH TYR 11 -6.203 -5.915 -9.113
59 HA PRO 12 HA PRO 12 -10.350 -0.143 -2.155
60 1HB PRO 12 2HB PRO 12 -13.083 -0.293 -2.400
61 2HB PRO 12 1HB PRO 12 -12.175 1.225 -2.525
62 1HG PRO 12 2HG PRO 12 -13.423 -0.404 -4.697
63 2HG PRO 12 1HG PRO 12 -13.124 1.341 -4.634
64 1HD PRO 12 2HD PRO 12 -11.559 -0.528 -6.048
65 2HD PRO 12 1HD PRO 12 -11.078 1.129 -5.629
66 H LYS 13 H LYS 13 -9.488 -2.314 -1.852
67 HA LYS 13 HA LYS 13 -11.500 -4.340 -1.383
68 1HB LYS 13 2HB LYS 13 -10.220 -5.971 -3.021
69 2HB LYS 13 1HB LYS 13 -11.501 -4.925 -3.638
70 1HG LYS 13 2HG LYS 13 -9.800 -3.244 -4.288
71 2HG LYS 13 1HG LYS 13 -8.528 -4.321 -3.707
72 1HD LYS 13 2HD LYS 13 -10.535 -5.211 -5.783
73 2HD LYS 13 1HD LYS 13 -9.041 -4.387 -6.229
74 1HE LYS 13 2HE LYS 13 -7.773 -6.127 -4.925
75 2HE LYS 13 1HE LYS 13 -9.294 -6.993 -4.703
76 1HZ LYS 13 1HZ LYS 13 -8.074 -7.844 -6.599
77 2HZ LYS 13 2HZ LYS 13 -8.051 -6.303 -7.313
78 3HZ LYS 13 3HZ LYS 13 -9.523 -7.126 -7.107
79 H CYS 14 H CYS 14 -10.559 -4.524 0.667
80 HA CYS 14 HA CYS 14 -7.665 -5.053 0.882
81 1HB CYS 14 2HB CYS 14 -9.849 -4.288 2.714
82 2HB CYS 14 1HB CYS 14 -8.669 -5.403 3.404
83 H ALA 15 H ALA 15 -9.539 -6.998 -0.432
84 HA ALA 15 HA ALA 15 -9.117 -9.309 1.422
85 1HB ALA 15 1HB ALA 15 -11.019 -10.367 0.485
86 2HB ALA 15 2HB ALA 15 -11.022 -9.303 -0.921
87 3HB ALA 15 3HB ALA 15 -11.511 -8.682 0.655
88 H CYS 16 H CYS 16 -6.938 -9.621 0.664
89 HA CYS 16 HA CYS 16 -6.784 -10.622 -2.153
90 1HB CYS 16 2HB CYS 16 -4.970 -8.882 -0.561
91 2HB CYS 16 1HB CYS 16 -4.206 -10.074 -1.613
92 H THR 17 H THR 17 -4.652 -12.056 -2.283
93 HA THR 17 HA THR 17 -5.157 -14.316 -0.504
94 HB THR 17 HB THR 17 -2.990 -13.982 -2.596
95 HG1 THR 17 1HG THR 17 -5.048 -13.672 -3.478
96 1HG2 THR 17 1HG2 THR 17 -2.369 -15.954 -1.644
97 2HG2 THR 17 2HG2 THR 17 -3.729 -16.611 -2.554
98 3HG2 THR 17 3HG2 THR 17 -3.931 -16.178 -0.857
99 H MET 18 H MET 18 -1.827 -14.168 -1.206
100 HA MET 18 HA MET 18 -1.167 -12.851 1.366
101 1HB MET 18 2HB MET 18 -0.015 -15.563 0.704
102 2HB MET 18 1HB MET 18 -0.013 -14.718 2.253
103 1HG MET 18 2HG MET 18 -2.547 -14.888 2.224
104 2HG MET 18 1HG MET 18 -2.377 -15.977 0.845
105 1HE MET 18 1HE MET 18 -3.562 -17.996 2.030
106 2HE MET 18 2HE MET 18 -3.918 -16.778 3.251
107 3HE MET 18 3HE MET 18 -3.312 -18.357 3.744
108 H GLU 19 H GLU 19 -0.719 -11.885 -1.235
109 HA GLU 19 HA GLU 19 1.854 -12.563 -2.297
110 1HB GLU 19 2HB GLU 19 -0.205 -10.938 -3.093
111 2HB GLU 19 1HB GLU 19 0.998 -9.750 -2.587
112 1HG GLU 19 2HG GLU 19 2.315 -10.186 -4.370
113 2HG GLU 19 1HG GLU 19 2.179 -11.929 -4.135
114 H TYR 20 H TYR 20 3.894 -11.522 -1.962
115 HA TYR 20 HA TYR 20 4.003 -9.766 0.455
116 1HB TYR 20 2HB TYR 20 4.881 -12.273 0.574
117 2HB TYR 20 1HB TYR 20 6.302 -11.554 -0.184
118 HD1 TYR 20 1HD TYR 20 3.862 -10.426 2.443
119 HD2 TYR 20 2HD TYR 20 7.970 -11.054 1.354
120 HE1 TYR 20 1HE TYR 20 4.586 -9.509 4.632
121 HE2 TYR 20 2HE TYR 20 8.692 -10.138 3.541
122 HH TYR 20 HH TYR 20 7.596 -9.932 5.896
123 H ARG 21 H ARG 21 4.679 -7.823 -0.162
124 HA ARG 21 HA ARG 21 7.036 -7.563 -1.930
125 1HB ARG 21 2HB ARG 21 4.677 -5.753 -2.407
126 2HB ARG 21 1HB ARG 21 6.016 -6.135 -3.487
127 1HG ARG 21 2HG ARG 21 4.069 -8.276 -2.640
128 2HG ARG 21 1HG ARG 21 3.701 -7.202 -3.988
129 1HD ARG 21 2HD ARG 21 5.179 -8.234 -5.354
130 2HD ARG 21 1HD ARG 21 6.423 -8.279 -4.104
131 HE ARG 21 HE ARG 21 4.564 -10.208 -3.329
132 1HH1 ARG 21 1HH2 ARG 21 7.307 -9.847 -5.222
133 2HH1 ARG 21 2HH2 ARG 21 7.138 -11.348 -6.070
134 1HH2 ARG 21 1HH1 ARG 21 3.979 -12.014 -4.803
135 2HH2 ARG 21 2HH1 ARG 21 5.253 -12.574 -5.836
136 HA PRO 22 HA PRO 22 7.256 -4.883 1.734
137 1HB PRO 22 2HB PRO 22 9.986 -5.093 1.960
138 2HB PRO 22 1HB PRO 22 8.844 -6.253 2.661
139 1HG PRO 22 2HG PRO 22 10.564 -6.539 0.236
140 2HG PRO 22 1HG PRO 22 9.955 -7.788 1.335
141 1HD PRO 22 2HD PRO 22 8.895 -7.197 -1.208
142 2HD PRO 22 1HD PRO 22 8.076 -8.137 0.058
143 H LEU 23 H LEU 23 6.838 -2.886 0.867
144 HA LEU 23 HA LEU 23 9.039 -1.558 -0.699
145 1HB LEU 23 2HB LEU 23 6.132 -0.756 -0.732
146 2HB LEU 23 1HB LEU 23 7.387 -0.246 -1.850
147 HG LEU 23 HG LEU 23 6.159 -3.009 -1.583
148 1HD1 LEU 23 1HD1 LEU 23 5.718 -0.718 -3.292
149 2HD1 LEU 23 2HD1 LEU 23 4.829 -2.238 -3.222
150 3HD1 LEU 23 3HD1 LEU 23 6.252 -2.100 -4.248
151 1HD2 LEU 23 1HD2 LEU 23 8.265 -3.715 -2.109
152 2HD2 LEU 23 2HD2 LEU 23 8.767 -2.118 -2.664
153 3HD2 LEU 23 3HD2 LEU 23 7.831 -3.167 -3.729
154 H CYS 24 H CYS 24 8.814 0.964 -0.424
155 HA CYS 24 HA CYS 24 8.413 1.474 2.497
156 1HB CYS 24 2HB CYS 24 10.329 2.543 0.466
157 2HB CYS 24 1HB CYS 24 9.794 3.636 1.743
158 H GLY 25 H GLY 25 6.245 2.073 2.553
159 1HA GLY 25 2HA GLY 25 5.046 3.727 0.484
160 2HA GLY 25 1HA GLY 25 4.268 3.220 1.981
161 H SER 26 H SER 26 4.651 5.905 0.491
162 HA SER 26 HA SER 26 6.240 7.617 2.147
163 1HB SER 26 2HB SER 26 4.386 7.910 -0.033
164 2HB SER 26 1HB SER 26 4.003 9.093 1.215
165 HG SER 26 HG SER 26 5.697 10.138 0.575
166 H ASP 27 H ASP 27 3.417 5.914 2.887
167 HA ASP 27 HA ASP 27 2.314 7.876 4.753
168 1HB ASP 27 2HB ASP 27 0.726 6.097 5.338
169 2HB ASP 27 1HB ASP 27 0.847 6.262 3.587
170 H ASN 28 H ASN 28 5.130 6.430 4.954
171 HA ASN 28 HA ASN 28 6.520 6.057 6.822
172 1HB ASN 28 2HB ASN 28 4.713 7.666 7.897
173 2HB ASN 28 1HB ASN 28 4.168 6.183 8.679
174 1HD2 ASN 28 1HD2 ASN 28 5.199 5.752 10.634
175 2HD2 ASN 28 2HD2 ASN 28 6.745 6.305 11.065
176 H LYS 29 H LYS 29 4.951 3.959 5.355
177 HA LYS 29 HA LYS 29 5.398 1.820 7.348
178 1HB LYS 29 2HB LYS 29 2.724 2.667 6.399
179 2HB LYS 29 1HB LYS 29 3.027 0.931 6.361
180 1HG LYS 29 2HG LYS 29 3.572 2.658 8.789
181 2HG LYS 29 1HG LYS 29 2.054 1.794 8.539
182 1HD LYS 29 2HD LYS 29 3.122 -0.325 8.610
183 2HD LYS 29 1HD LYS 29 4.724 0.388 8.420
184 1HE LYS 29 2HE LYS 29 4.285 1.587 10.643
185 2HE LYS 29 1HE LYS 29 2.916 0.492 10.839
186 1HZ LYS 29 1HZ LYS 29 4.344 -1.373 10.774
187 2HZ LYS 29 2HZ LYS 29 5.043 -0.272 11.863
188 3HZ LYS 29 3HZ LYS 29 5.677 -0.439 10.296
189 H THR 30 H THR 30 5.933 -0.150 6.332
190 HA THR 30 HA THR 30 6.653 0.101 3.519
191 HB THR 30 HB THR 30 7.086 -1.934 5.675
192 HG1 THR 30 1HG THR 30 8.906 -0.935 5.530
193 1HG2 THR 30 1HG2 THR 30 8.025 -3.536 4.058
194 2HG2 THR 30 2HG2 THR 30 7.509 -2.511 2.725
195 3HG2 THR 30 3HG2 THR 30 6.308 -3.286 3.754
196 H TYR 31 H TYR 31 6.028 -1.690 1.955
197 HA TYR 31 HA TYR 31 3.105 -2.032 1.996
198 1HB TYR 31 2HB TYR 31 5.267 -2.703 -0.006
199 2HB TYR 31 1HB TYR 31 3.609 -3.211 -0.219
200 HD1 TYR 31 1HD TYR 31 4.512 0.039 1.306
201 HD2 TYR 31 2HD TYR 31 3.271 -2.017 -2.253
202 HE1 TYR 31 1HE TYR 31 4.056 2.204 0.192
203 HE2 TYR 31 2HE TYR 31 2.821 0.151 -3.359
204 HH TYR 31 HH TYR 31 3.361 2.425 -3.203
205 H GLY 32 H GLY 32 2.225 -3.903 2.840
206 1HA GLY 32 2HA GLY 32 3.885 -6.258 3.372
207 2HA GLY 32 1HA GLY 32 2.117 -6.178 3.530
208 H ASN 33 H ASN 33 1.921 -4.888 0.910
209 HA ASN 33 HA ASN 33 2.973 -6.280 -1.253
210 1HB ASN 33 2HB ASN 33 1.062 -7.755 -1.909
211 2HB ASN 33 1HB ASN 33 1.884 -8.317 -0.460
212 1HD2 ASN 33 1HD2 ASN 33 0.418 -9.009 1.091
213 2HD2 ASN 33 2HD2 ASN 33 -1.119 -8.336 1.353
214 H LYS 34 H LYS 34 2.032 -5.395 -3.208
215 HA LYS 34 HA LYS 34 1.070 -2.791 -3.024
216 1HB LYS 34 2HB LYS 34 2.056 -4.023 -5.058
217 2HB LYS 34 1HB LYS 34 0.406 -4.566 -5.367
218 1HG LYS 34 2HG LYS 34 -0.349 -2.440 -5.874
219 2HG LYS 34 1HG LYS 34 0.851 -1.655 -4.847
220 1HD LYS 34 2HD LYS 34 2.181 -3.126 -6.943
221 2HD LYS 34 1HD LYS 34 0.984 -2.038 -7.645
222 1HE LYS 34 2HE LYS 34 2.239 -0.228 -7.167
223 2HE LYS 34 1HE LYS 34 2.430 -0.737 -5.489
224 1HZ LYS 34 1HZ LYS 34 3.990 -1.842 -7.759
225 2HZ LYS 34 2HZ LYS 34 4.230 -2.156 -6.107
226 3HZ LYS 34 3HZ LYS 34 4.542 -0.608 -6.735
227 H CYS 35 H CYS 35 -0.732 -5.689 -2.561
228 HA CYS 35 HA CYS 35 -3.307 -4.542 -3.344
229 1HB CYS 35 2HB CYS 35 -2.899 -6.998 -3.329
230 2HB CYS 35 1HB CYS 35 -2.713 -6.933 -1.576
231 H ASN 36 H ASN 36 -1.362 -4.758 -0.469
232 HA ASN 36 HA ASN 36 -3.408 -3.773 1.353
233 1HB ASN 36 2HB ASN 36 -0.858 -5.021 1.550
234 2HB ASN 36 1HB ASN 36 -0.705 -3.433 2.289
235 1HD2 ASN 36 1HD2 ASN 36 -1.969 -6.619 2.746
236 2HD2 ASN 36 2HD2 ASN 36 -2.783 -6.322 4.205
237 H PHE 37 H PHE 37 -1.029 -2.523 -0.817
238 HA PHE 37 HA PHE 37 -0.858 0.104 0.455
239 1HB PHE 37 2HB PHE 37 1.053 -0.809 -0.870
240 2HB PHE 37 1HB PHE 37 0.030 -0.796 -2.308
241 HD1 PHE 37 1HD PHE 37 -0.060 1.104 -3.655
242 HD2 PHE 37 2HD PHE 37 1.174 1.516 0.446
243 HE1 PHE 37 1HE PHE 37 0.383 3.515 -4.028
244 HE2 PHE 37 2HE PHE 37 1.627 3.929 0.067
245 HZ PHE 37 HZ PHE 37 1.219 4.923 -2.172
246 H CYS 38 H CYS 38 -2.260 -1.168 -2.570
247 HA CYS 38 HA CYS 38 -3.534 1.257 -3.358
248 1HB CYS 38 2HB CYS 38 -4.370 -1.614 -3.889
249 2HB CYS 38 1HB CYS 38 -4.997 -0.203 -4.740
250 H CYS 39 H CYS 39 -4.347 -1.211 -1.038
251 HA CYS 39 HA CYS 39 -7.126 -0.416 -0.700
252 1HB CYS 39 2HB CYS 39 -5.818 -2.619 0.045
253 2HB CYS 39 1HB CYS 39 -5.582 -1.690 1.524
254 H ALA 40 H ALA 40 -4.087 0.260 0.996
255 HA ALA 40 HA ALA 40 -5.291 2.032 2.940
256 1HB ALA 40 1HB ALA 40 -2.747 2.847 2.973
257 2HB ALA 40 2HB ALA 40 -2.511 1.346 2.079
258 3HB ALA 40 3HB ALA 40 -3.224 1.308 3.691
259 H VAL 41 H VAL 41 -4.485 2.319 -0.371
260 HA VAL 41 HA VAL 41 -4.027 5.197 -0.380
261 HB VAL 41 HB VAL 41 -4.634 3.201 -2.574
262 1HG1 VAL 41 1HG1 VAL 41 -5.400 5.095 -3.635
263 2HG1 VAL 41 2HG1 VAL 41 -3.674 5.326 -3.912
264 3HG1 VAL 41 3HG1 VAL 41 -4.477 6.179 -2.594
265 1HG2 VAL 41 1HG2 VAL 41 -2.373 3.306 -1.287
266 2HG2 VAL 41 2HG2 VAL 41 -2.113 4.805 -2.176
267 3HG2 VAL 41 3HG2 VAL 41 -2.330 3.288 -3.049
268 H VAL 42 H VAL 42 -6.747 3.064 -1.199
269 HA VAL 42 HA VAL 42 -8.539 5.183 -1.936
270 HB VAL 42 HB VAL 42 -9.205 2.435 -0.834
271 1HG1 VAL 42 1HG1 VAL 42 -10.852 4.179 -2.677
272 2HG1 VAL 42 2HG1 VAL 42 -11.025 4.247 -0.923
273 3HG1 VAL 42 3HG1 VAL 42 -11.367 2.747 -1.784
274 1HG2 VAL 42 1HG2 VAL 42 -8.699 3.442 -3.651
275 2HG2 VAL 42 2HG2 VAL 42 -9.438 1.882 -3.289
276 3HG2 VAL 42 3HG2 VAL 42 -7.781 2.213 -2.782
277 H GLU 43 H GLU 43 -7.518 3.895 1.143
278 HA GLU 43 HA GLU 43 -9.759 5.159 2.584
279 1HB GLU 43 2HB GLU 43 -8.786 4.229 4.572
280 2HB GLU 43 1HB GLU 43 -8.646 2.996 3.319
281 1HG GLU 43 2HG GLU 43 -6.333 3.549 2.931
282 2HG GLU 43 1HG GLU 43 -6.439 4.963 3.978
283 H SER 44 H SER 44 -6.468 5.901 1.682
284 HA SER 44 HA SER 44 -6.253 8.121 3.593
285 1HB SER 44 2HB SER 44 -4.242 6.857 2.908
286 2HB SER 44 1HB SER 44 -4.496 7.354 1.238
287 HG SER 44 HG SER 44 -3.247 8.659 3.188
288 H ASN 45 H ASN 45 -8.080 7.735 0.923
289 HA ASN 45 HA ASN 45 -9.269 9.338 -0.331
290 1HB ASN 45 2HB ASN 45 -8.214 10.838 1.787
291 2HB ASN 45 1HB ASN 45 -7.702 11.697 0.334
292 1HD2 ASN 45 1HD2 ASN 45 -10.711 9.889 1.206
293 2HD2 ASN 45 2HD2 ASN 45 -11.763 11.144 0.758
294 H GLY 46 H GLY 46 -6.365 8.195 -0.808
295 1HA GLY 46 2HA GLY 46 -5.313 8.088 -2.980
296 2HA GLY 46 1HA GLY 46 -6.015 9.659 -3.367
297 H THR 47 H THR 47 -4.837 9.776 -0.249
298 HA THR 47 HA THR 47 -2.576 11.433 -1.079
299 HB THR 47 HB THR 47 -3.802 10.694 1.578
300 HG1 THR 47 1HG THR 47 -3.595 12.984 -0.044
301 1HG2 THR 47 1HG2 THR 47 -1.990 12.699 2.115
302 2HG2 THR 47 2HG2 THR 47 -1.094 11.663 1.004
303 3HG2 THR 47 3HG2 THR 47 -1.758 10.992 2.494
304 H LEU 48 H LEU 48 -3.097 8.253 0.375
305 HA LEU 48 HA LEU 48 -0.557 7.598 1.303
306 1HB LEU 48 2HB LEU 48 -2.792 6.150 0.908
307 2HB LEU 48 1HB LEU 48 -1.837 5.564 -0.455
308 HG LEU 48 HG LEU 48 0.047 5.492 1.484
309 1HD1 LEU 48 1HD1 LEU 48 -2.575 4.839 2.862
310 2HD1 LEU 48 2HD1 LEU 48 -1.569 6.246 3.207
311 3HD1 LEU 48 3HD1 LEU 48 -0.963 4.625 3.545
312 1HD2 LEU 48 1HD2 LEU 48 -0.996 3.682 -0.105
313 2HD2 LEU 48 2HD2 LEU 48 -1.914 3.220 1.327
314 3HD2 LEU 48 3HD2 LEU 48 -0.152 3.166 1.354
315 H THR 49 H THR 49 1.387 6.840 0.305
316 HA THR 49 HA THR 49 1.496 6.847 -2.648
317 HB THR 49 HB THR 49 3.615 8.392 -2.306
318 HG1 THR 49 1HG THR 49 3.255 9.875 -0.675
319 1HG2 THR 49 1HG2 THR 49 2.366 9.789 -3.549
320 2HG2 THR 49 2HG2 THR 49 1.273 10.099 -2.200
321 3HG2 THR 49 3HG2 THR 49 1.005 8.707 -3.249
322 H LEU 50 H LEU 50 4.167 6.803 -3.036
323 HA LEU 50 HA LEU 50 5.092 4.381 -1.544
324 1HB LEU 50 2HB LEU 50 4.650 4.101 -4.007
325 2HB LEU 50 1HB LEU 50 5.864 5.337 -4.329
326 HG LEU 50 HG LEU 50 7.614 3.972 -3.389
327 1HD1 LEU 50 1HD1 LEU 50 7.104 1.737 -2.417
328 2HD1 LEU 50 2HD1 LEU 50 5.385 2.075 -2.595
329 3HD1 LEU 50 3HD1 LEU 50 6.359 3.039 -1.489
330 1HD2 LEU 50 1HD2 LEU 50 6.383 1.710 -4.728
331 2HD2 LEU 50 2HD2 LEU 50 7.736 2.711 -5.254
332 3HD2 LEU 50 3HD2 LEU 50 6.082 3.205 -5.616
333 H SER 51 H SER 51 7.651 4.347 -1.631
334 HA SER 51 HA SER 51 8.753 7.095 -1.412
335 1HB SER 51 2HB SER 51 7.970 5.896 0.852
336 2HB SER 51 1HB SER 51 9.552 5.143 0.694
337 HG SER 51 HG SER 51 9.246 7.920 0.350
338 H HIS 52 H HIS 52 9.324 3.603 -1.607
339 HA HIS 52 HA HIS 52 11.303 3.723 -3.547
340 1HB HIS 52 2HB HIS 52 13.149 4.560 -2.565
341 2HB HIS 52 1HB HIS 52 12.265 4.774 -1.062
342 HD1 HIS 52 1HD HIS 52 12.384 2.784 0.679
343 HD2 HIS 52 2HD HIS 52 14.920 2.368 -2.603
344 HE1 HIS 52 1HE HIS 52 14.037 0.961 1.277
345 H PHE 53 H PHE 53 10.971 1.708 -4.252
346 HA PHE 53 HA PHE 53 9.956 -0.499 -2.896
347 1HB PHE 53 2HB PHE 53 11.548 -0.083 -5.333
348 2HB PHE 53 1HB PHE 53 11.808 -1.663 -4.599
349 HD1 PHE 53 1HD PHE 53 10.424 -3.364 -5.352
350 HD2 PHE 53 2HD PHE 53 8.912 0.655 -5.229
351 HE1 PHE 53 1HE PHE 53 8.263 -4.149 -6.284
352 HE2 PHE 53 2HE PHE 53 6.753 -0.130 -6.161
353 HZ PHE 53 HZ PHE 53 6.428 -2.531 -6.688
354 H GLY 54 H GLY 54 10.771 -1.825 -1.294
355 1HA GLY 54 2HA GLY 54 12.928 -3.087 -0.655
356 2HA GLY 54 1HA GLY 54 13.659 -1.481 -0.606
357 H LYS 55 H LYS 55 13.399 -3.368 1.617
358 HA LYS 55 HA LYS 55 11.254 -2.536 3.358
359 1HB LYS 55 2HB LYS 55 12.358 -4.655 3.758
360 2HB LYS 55 1HB LYS 55 13.922 -3.858 3.933
361 1HG LYS 55 2HG LYS 55 13.490 -3.204 6.068
362 2HG LYS 55 1HG LYS 55 11.808 -2.810 5.706
363 1HD LYS 55 2HD LYS 55 11.063 -4.935 6.178
364 2HD LYS 55 1HD LYS 55 12.573 -5.692 5.669
365 1HE LYS 55 2HE LYS 55 13.147 -5.839 7.842
366 2HE LYS 55 1HE LYS 55 13.256 -4.079 7.870
367 1HZ LYS 55 1HZ LYS 55 11.466 -5.646 9.252
368 2HZ LYS 55 2HZ LYS 55 10.553 -4.934 8.009
369 3HZ LYS 55 3HZ LYS 55 11.427 -3.958 9.090
370 H CYS 56 H CYS 56 11.083 -0.603 4.369
371 HA CYS 56 HA CYS 56 12.969 1.481 4.218
372 1HB CYS 56 2HB CYS 56 10.967 1.025 6.449
373 2HB CYS 56 1HB CYS 56 11.688 2.567 5.987
Start of MODEL 14
1 1H ALA 3 1HT ALA 3 10.553 7.838 -10.186
2 2H ALA 3 2HT ALA 3 9.874 8.737 -8.914
3 3H ALA 3 3HT ALA 3 10.820 9.510 -10.094
4 HA ALA 3 HA ALA 3 8.261 9.681 -10.225
5 1HB ALA 3 1HB ALA 3 8.433 9.726 -12.701
6 2HB ALA 3 2HB ALA 3 9.995 8.913 -12.594
7 3HB ALA 3 3HB ALA 3 9.799 10.538 -11.936
8 H VAL 4 H VAL 4 6.839 8.088 -9.558
9 HA VAL 4 HA VAL 4 6.185 5.987 -11.440
10 HB VAL 4 HB VAL 4 8.162 4.973 -10.311
11 1HG1 VAL 4 1HG1 VAL 4 8.316 4.726 -8.013
12 2HG1 VAL 4 2HG1 VAL 4 6.567 4.739 -7.790
13 3HG1 VAL 4 3HG1 VAL 4 7.428 6.247 -8.095
14 1HG2 VAL 4 1HG2 VAL 4 5.770 3.492 -9.272
15 2HG2 VAL 4 2HG2 VAL 4 7.178 2.873 -10.135
16 3HG2 VAL 4 3HG2 VAL 4 5.919 3.744 -11.012
17 H SER 5 H SER 5 4.066 6.760 -11.295
18 HA SER 5 HA SER 5 2.811 6.809 -8.597
19 1HB SER 5 2HB SER 5 1.097 8.160 -9.552
20 2HB SER 5 1HB SER 5 2.601 8.762 -10.246
21 HG SER 5 HG SER 5 2.175 7.482 -12.081
22 H VAL 6 H VAL 6 0.519 5.918 -8.531
23 HA VAL 6 HA VAL 6 0.007 3.727 -10.453
24 HB VAL 6 HB VAL 6 1.309 2.546 -8.821
25 1HG1 VAL 6 1HG1 VAL 6 1.531 3.368 -6.740
26 2HG1 VAL 6 2HG1 VAL 6 -0.153 2.969 -6.402
27 3HG1 VAL 6 3HG1 VAL 6 0.262 4.548 -7.067
28 1HG2 VAL 6 1HG2 VAL 6 -0.195 0.868 -8.572
29 2HG2 VAL 6 2HG2 VAL 6 -1.361 1.962 -9.318
30 3HG2 VAL 6 3HG2 VAL 6 -1.247 1.859 -7.561
31 H ASP 7 H ASP 7 -2.176 3.534 -10.802
32 HA ASP 7 HA ASP 7 -3.978 4.937 -8.867
33 1HB ASP 7 2HB ASP 7 -3.577 5.455 -11.604
34 2HB ASP 7 1HB ASP 7 -5.125 4.615 -11.508
35 H CYS 8 H CYS 8 -5.271 3.526 -7.817
36 HA CYS 8 HA CYS 8 -6.229 1.118 -9.309
37 1HB CYS 8 2HB CYS 8 -5.281 1.275 -6.432
38 2HB CYS 8 1HB CYS 8 -6.115 -0.116 -7.124
39 H SER 9 H SER 9 -7.426 3.803 -8.713
40 HA SER 9 HA SER 9 -9.368 3.635 -6.649
41 1HB SER 9 2HB SER 9 -9.080 5.227 -9.164
42 2HB SER 9 1HB SER 9 -10.651 5.213 -8.367
43 HG SER 9 HG SER 9 -8.755 6.764 -7.746
44 H GLU 10 H GLU 10 -10.208 1.501 -6.743
45 HA GLU 10 HA GLU 10 -12.597 1.212 -8.268
46 1HB GLU 10 2HB GLU 10 -10.159 0.245 -9.511
47 2HB GLU 10 1HB GLU 10 -11.336 -1.050 -9.286
48 1HG GLU 10 2HG GLU 10 -12.132 1.613 -10.462
49 2HG GLU 10 1HG GLU 10 -11.492 0.315 -11.471
50 H TYR 11 H TYR 11 -10.104 -0.270 -6.429
51 HA TYR 11 HA TYR 11 -12.149 -2.046 -5.176
52 1HB TYR 11 2HB TYR 11 -9.745 -3.238 -4.555
53 2HB TYR 11 1HB TYR 11 -10.820 -3.739 -5.853
54 HD1 TYR 11 1HD TYR 11 -10.538 -2.235 -8.087
55 HD2 TYR 11 2HD TYR 11 -7.508 -2.906 -5.120
56 HE1 TYR 11 1HE TYR 11 -8.788 -1.708 -9.761
57 HE2 TYR 11 2HE TYR 11 -5.759 -2.376 -6.792
58 HH TYR 11 HH TYR 11 -6.149 -2.438 -9.945
59 HA PRO 12 HA PRO 12 -10.714 0.626 -1.785
60 1HB PRO 12 2HB PRO 12 -13.214 0.840 -0.664
61 2HB PRO 12 1HB PRO 12 -12.628 1.908 -1.951
62 1HG PRO 12 2HG PRO 12 -14.605 -0.313 -2.117
63 2HG PRO 12 1HG PRO 12 -14.429 1.113 -3.154
64 1HD PRO 12 2HD PRO 12 -13.557 -1.520 -3.766
65 2HD PRO 12 1HD PRO 12 -13.147 -0.041 -4.659
66 H LYS 13 H LYS 13 -10.565 -2.283 -1.963
67 HA LYS 13 HA LYS 13 -10.493 -2.992 0.813
68 1HB LYS 13 2HB LYS 13 -12.750 -3.572 0.835
69 2HB LYS 13 1HB LYS 13 -12.787 -3.895 -0.899
70 1HG LYS 13 2HG LYS 13 -11.744 -6.001 -0.646
71 2HG LYS 13 1HG LYS 13 -11.214 -5.632 0.994
72 1HD LYS 13 2HD LYS 13 -14.076 -6.074 0.082
73 2HD LYS 13 1HD LYS 13 -13.124 -7.150 1.105
74 1HE LYS 13 2HE LYS 13 -12.903 -5.200 2.734
75 2HE LYS 13 1HE LYS 13 -14.134 -4.379 1.775
76 1HZ LYS 13 1HZ LYS 13 -15.737 -5.679 2.581
77 2HZ LYS 13 2HZ LYS 13 -14.634 -6.070 3.811
78 3HZ LYS 13 3HZ LYS 13 -14.804 -7.092 2.464
79 H CYS 14 H CYS 14 -8.444 -3.840 0.553
80 HA CYS 14 HA CYS 14 -8.106 -6.076 -1.347
81 1HB CYS 14 2HB CYS 14 -5.989 -3.954 -1.360
82 2HB CYS 14 1HB CYS 14 -6.426 -5.104 -2.618
83 H ALA 15 H ALA 15 -8.096 -6.942 0.986
84 HA ALA 15 HA ALA 15 -5.552 -6.506 2.424
85 1HB ALA 15 1HB ALA 15 -8.058 -7.079 3.320
86 2HB ALA 15 2HB ALA 15 -6.595 -7.451 4.234
87 3HB ALA 15 3HB ALA 15 -7.368 -8.702 3.260
88 H CYS 16 H CYS 16 -4.373 -7.345 0.441
89 HA CYS 16 HA CYS 16 -4.583 -10.208 -0.136
90 1HB CYS 16 2HB CYS 16 -2.639 -8.071 -1.053
91 2HB CYS 16 1HB CYS 16 -2.593 -9.742 -1.611
92 H THR 17 H THR 17 -2.837 -11.725 0.196
93 HA THR 17 HA THR 17 -0.580 -11.006 1.906
94 HB THR 17 HB THR 17 -2.061 -13.167 3.211
95 HG1 THR 17 1HG THR 17 -3.909 -12.149 2.963
96 1HG2 THR 17 1HG2 THR 17 -0.757 -10.568 4.027
97 2HG2 THR 17 2HG2 THR 17 -0.197 -12.212 4.334
98 3HG2 THR 17 3HG2 THR 17 -1.610 -11.589 5.184
99 H MET 18 H MET 18 -0.155 -11.989 -0.476
100 HA MET 18 HA MET 18 0.463 -14.869 -0.014
101 1HB MET 18 2HB MET 18 -1.578 -14.204 -1.632
102 2HB MET 18 1HB MET 18 -0.253 -14.052 -2.785
103 1HG MET 18 2HG MET 18 0.517 -16.356 -2.001
104 2HG MET 18 1HG MET 18 -1.037 -16.490 -1.178
105 1HE MET 18 1HE MET 18 -2.323 -17.933 -1.922
106 2HE MET 18 2HE MET 18 -2.950 -18.253 -3.537
107 3HE MET 18 3HE MET 18 -3.494 -16.828 -2.656
108 H GLU 19 H GLU 19 0.961 -12.647 -2.761
109 HA GLU 19 HA GLU 19 3.672 -13.517 -3.162
110 1HB GLU 19 2HB GLU 19 1.929 -12.153 -4.701
111 2HB GLU 19 1HB GLU 19 2.882 -10.800 -4.089
112 1HG GLU 19 2HG GLU 19 4.957 -11.967 -4.819
113 2HG GLU 19 1HG GLU 19 3.966 -13.256 -5.502
114 H TYR 20 H TYR 20 5.639 -12.410 -2.647
115 HA TYR 20 HA TYR 20 5.428 -10.745 -0.209
116 1HB TYR 20 2HB TYR 20 7.127 -12.753 -0.762
117 2HB TYR 20 1HB TYR 20 8.078 -11.407 -1.394
118 HD1 TYR 20 1HD TYR 20 5.762 -11.798 1.537
119 HD2 TYR 20 2HD TYR 20 9.677 -10.709 0.148
120 HE1 TYR 20 1HE TYR 20 6.399 -11.149 3.845
121 HE2 TYR 20 2HE TYR 20 10.316 -10.062 2.455
122 HH TYR 20 HH TYR 20 8.958 -11.002 5.071
123 H ARG 21 H ARG 21 5.344 -8.594 -0.453
124 HA ARG 21 HA ARG 21 7.198 -7.231 -2.284
125 1HB ARG 21 2HB ARG 21 4.259 -7.430 -2.762
126 2HB ARG 21 1HB ARG 21 5.003 -5.850 -3.011
127 1HG ARG 21 2HG ARG 21 6.464 -6.669 -4.682
128 2HG ARG 21 1HG ARG 21 6.200 -8.347 -4.209
129 1HD ARG 21 2HD ARG 21 4.067 -6.544 -5.386
130 2HD ARG 21 1HD ARG 21 4.985 -7.739 -6.304
131 HE ARG 21 HE ARG 21 3.787 -9.020 -4.044
132 1HH1 ARG 21 1HH2 ARG 21 3.655 -8.789 -7.352
133 2HH1 ARG 21 2HH2 ARG 21 1.979 -9.195 -7.510
134 1HH2 ARG 21 1HH1 ARG 21 1.341 -9.010 -4.106
135 2HH2 ARG 21 2HH1 ARG 21 0.670 -9.323 -5.671
136 HA PRO 22 HA PRO 22 6.350 -5.092 1.690
137 1HB PRO 22 2HB PRO 22 9.005 -4.711 2.295
138 2HB PRO 22 1HB PRO 22 8.093 -6.164 2.742
139 1HG PRO 22 2HG PRO 22 10.127 -5.813 0.587
140 2HG PRO 22 1HG PRO 22 9.684 -7.275 1.485
141 1HD PRO 22 2HD PRO 22 8.854 -6.640 -1.140
142 2HD PRO 22 1HD PRO 22 8.146 -7.894 -0.100
143 H LEU 23 H LEU 23 5.556 -3.215 0.610
144 HA LEU 23 HA LEU 23 7.552 -1.394 -0.633
145 1HB LEU 23 2HB LEU 23 4.542 -1.069 -0.420
146 2HB LEU 23 1HB LEU 23 5.635 -0.141 -1.448
147 HG LEU 23 HG LEU 23 5.011 -3.101 -1.664
148 1HD1 LEU 23 1HD1 LEU 23 4.568 -0.795 -3.586
149 2HD1 LEU 23 2HD1 LEU 23 3.311 -1.533 -2.591
150 3HD1 LEU 23 3HD1 LEU 23 4.105 -2.476 -3.853
151 1HD2 LEU 23 1HD2 LEU 23 7.331 -2.871 -2.188
152 2HD2 LEU 23 2HD2 LEU 23 7.060 -1.356 -3.049
153 3HD2 LEU 23 3HD2 LEU 23 6.496 -2.877 -3.741
154 H CYS 24 H CYS 24 8.385 0.270 0.587
155 HA CYS 24 HA CYS 24 7.193 0.745 3.246
156 1HB CYS 24 2HB CYS 24 9.783 1.329 1.924
157 2HB CYS 24 1HB CYS 24 9.234 2.529 3.095
158 H GLY 25 H GLY 25 5.210 1.722 2.498
159 1HA GLY 25 2HA GLY 25 4.877 3.849 0.742
160 2HA GLY 25 1HA GLY 25 3.905 3.656 2.201
161 H SER 26 H SER 26 5.010 6.131 0.937
162 HA SER 26 HA SER 26 7.208 7.210 2.316
163 1HB SER 26 2HB SER 26 5.604 8.216 0.461
164 2HB SER 26 1HB SER 26 4.809 8.938 1.855
165 HG SER 26 HG SER 26 7.018 9.615 2.464
166 H ASP 27 H ASP 27 4.137 6.314 3.583
167 HA ASP 27 HA ASP 27 4.295 8.111 5.902
168 1HB ASP 27 2HB ASP 27 2.245 7.033 6.619
169 2HB ASP 27 1HB ASP 27 2.118 7.359 4.891
170 H ASN 28 H ASN 28 6.386 5.939 5.252
171 HA ASN 28 HA ASN 28 7.714 4.454 6.485
172 1HB ASN 28 2HB ASN 28 6.853 6.471 8.253
173 2HB ASN 28 1HB ASN 28 6.591 4.952 9.111
174 1HD2 ASN 28 1HD2 ASN 28 8.648 3.335 8.482
175 2HD2 ASN 28 2HD2 ASN 28 10.154 4.056 8.795
176 H LYS 29 H LYS 29 5.241 3.465 5.403
177 HA LYS 29 HA LYS 29 4.511 1.483 7.518
178 1HB LYS 29 2HB LYS 29 2.770 3.225 6.455
179 2HB LYS 29 1HB LYS 29 2.662 1.953 5.237
180 1HG LYS 29 2HG LYS 29 2.624 1.037 8.054
181 2HG LYS 29 1HG LYS 29 1.207 1.946 7.526
182 1HD LYS 29 2HD LYS 29 0.522 0.303 6.098
183 2HD LYS 29 1HD LYS 29 2.170 -0.103 5.619
184 1HE LYS 29 2HE LYS 29 1.615 -1.999 6.834
185 2HE LYS 29 1HE LYS 29 2.320 -1.005 8.108
186 1HZ LYS 29 1HZ LYS 29 -0.142 -0.151 8.269
187 2HZ LYS 29 2HZ LYS 29 0.357 -1.559 9.078
188 3HZ LYS 29 3HZ LYS 29 -0.483 -1.675 7.607
189 H THR 30 H THR 30 4.996 -0.592 7.051
190 HA THR 30 HA THR 30 6.013 -1.248 4.365
191 HB THR 30 HB THR 30 5.711 -3.026 6.808
192 HG1 THR 30 1HG THR 30 7.703 -1.251 5.933
193 1HG2 THR 30 1HG2 THR 30 6.336 -4.649 5.382
194 2HG2 THR 30 2HG2 THR 30 7.870 -3.803 5.174
195 3HG2 THR 30 3HG2 THR 30 6.530 -3.486 4.071
196 H TYR 31 H TYR 31 4.685 -2.076 2.815
197 HA TYR 31 HA TYR 31 2.035 -3.119 3.659
198 1HB TYR 31 2HB TYR 31 3.110 -1.904 1.124
199 2HB TYR 31 1HB TYR 31 1.641 -2.874 1.098
200 HD1 TYR 31 1HD TYR 31 3.030 0.353 1.757
201 HD2 TYR 31 2HD TYR 31 -0.223 -2.252 2.799
202 HE1 TYR 31 1HE TYR 31 1.743 2.297 2.600
203 HE2 TYR 31 2HE TYR 31 -1.510 -0.306 3.643
204 HH TYR 31 HH TYR 31 -1.577 1.911 3.829
205 H GLY 32 H GLY 32 1.271 -5.120 2.748
206 1HA GLY 32 2HA GLY 32 3.351 -7.124 2.456
207 2HA GLY 32 1HA GLY 32 1.615 -7.410 2.314
208 H ASN 33 H ASN 33 1.494 -5.161 0.244
209 HA ASN 33 HA ASN 33 3.125 -5.849 -1.988
210 1HB ASN 33 2HB ASN 33 1.235 -7.053 -3.284
211 2HB ASN 33 1HB ASN 33 2.137 -7.996 -2.097
212 1HD2 ASN 33 1HD2 ASN 33 0.701 -9.293 -0.943
213 2HD2 ASN 33 2HD2 ASN 33 -0.833 -8.805 -0.401
214 H LYS 34 H LYS 34 2.144 -4.978 -4.058
215 HA LYS 34 HA LYS 34 1.173 -2.348 -3.688
216 1HB LYS 34 2HB LYS 34 1.821 -4.080 -5.926
217 2HB LYS 34 1HB LYS 34 0.389 -3.111 -6.273
218 1HG LYS 34 2HG LYS 34 1.537 -1.110 -6.141
219 2HG LYS 34 1HG LYS 34 2.728 -1.746 -5.005
220 1HD LYS 34 2HD LYS 34 3.323 -3.296 -7.110
221 2HD LYS 34 1HD LYS 34 2.672 -1.909 -7.983
222 1HE LYS 34 2HE LYS 34 4.287 -0.740 -6.053
223 2HE LYS 34 1HE LYS 34 5.201 -2.170 -6.532
224 1HZ LYS 34 1HZ LYS 34 5.513 -1.390 -8.604
225 2HZ LYS 34 2HZ LYS 34 5.270 0.121 -7.867
226 3HZ LYS 34 3HZ LYS 34 3.992 -0.643 -8.687
227 H CYS 35 H CYS 35 -0.515 -5.309 -3.536
228 HA CYS 35 HA CYS 35 -3.089 -4.311 -4.434
229 1HB CYS 35 2HB CYS 35 -2.936 -6.634 -4.519
230 2HB CYS 35 1HB CYS 35 -2.072 -6.746 -2.995
231 H ASN 36 H ASN 36 -1.363 -4.608 -1.386
232 HA ASN 36 HA ASN 36 -3.590 -3.566 0.203
233 1HB ASN 36 2HB ASN 36 -1.285 -5.026 0.748
234 2HB ASN 36 1HB ASN 36 -0.927 -3.432 1.407
235 1HD2 ASN 36 1HD2 ASN 36 -3.199 -6.161 1.615
236 2HD2 ASN 36 2HD2 ASN 36 -3.866 -5.713 3.110
237 H PHE 37 H PHE 37 -0.832 -2.329 -1.517
238 HA PHE 37 HA PHE 37 -0.814 0.259 -0.164
239 1HB PHE 37 2HB PHE 37 1.214 -0.780 -1.273
240 2HB PHE 37 1HB PHE 37 0.427 -0.495 -2.824
241 HD1 PHE 37 1HD PHE 37 -0.429 1.923 -3.280
242 HD2 PHE 37 2HD PHE 37 2.534 0.946 -0.326
243 HE1 PHE 37 1HE PHE 37 0.357 4.273 -3.294
244 HE2 PHE 37 2HE PHE 37 3.321 3.302 -0.341
245 HZ PHE 37 HZ PHE 37 2.230 4.961 -1.827
246 H CYS 38 H CYS 38 -2.220 -1.119 -3.066
247 HA CYS 38 HA CYS 38 -3.086 1.418 -4.164
248 1HB CYS 38 2HB CYS 38 -3.465 -1.464 -4.795
249 2HB CYS 38 1HB CYS 38 -4.741 -0.374 -5.339
250 H CYS 39 H CYS 39 -4.330 -0.889 -1.849
251 HA CYS 39 HA CYS 39 -7.023 0.273 -1.936
252 1HB CYS 39 2HB CYS 39 -5.877 -2.112 -0.872
253 2HB CYS 39 1HB CYS 39 -6.626 -1.227 0.462
254 H ALA 40 H ALA 40 -4.165 0.448 0.143
255 HA ALA 40 HA ALA 40 -5.364 2.133 2.142
256 1HB ALA 40 1HB ALA 40 -2.686 1.186 1.453
257 2HB ALA 40 2HB ALA 40 -3.345 1.608 3.033
258 3HB ALA 40 3HB ALA 40 -2.669 2.864 1.995
259 H VAL 41 H VAL 41 -4.309 2.619 -1.095
260 HA VAL 41 HA VAL 41 -3.941 5.504 -0.900
261 HB VAL 41 HB VAL 41 -4.162 3.546 -3.193
262 1HG1 VAL 41 1HG1 VAL 41 -3.292 5.989 -4.235
263 2HG1 VAL 41 2HG1 VAL 41 -4.657 6.424 -3.207
264 3HG1 VAL 41 3HG1 VAL 41 -4.871 5.248 -4.504
265 1HG2 VAL 41 1HG2 VAL 41 -2.061 4.031 -1.651
266 2HG2 VAL 41 2HG2 VAL 41 -1.905 5.453 -2.683
267 3HG2 VAL 41 3HG2 VAL 41 -1.867 3.838 -3.393
268 H VAL 42 H VAL 42 -6.514 3.326 -2.053
269 HA VAL 42 HA VAL 42 -8.314 5.348 -2.939
270 HB VAL 42 HB VAL 42 -9.008 2.658 -1.704
271 1HG1 VAL 42 1HG1 VAL 42 -11.133 3.340 -1.993
272 2HG1 VAL 42 2HG1 VAL 42 -10.818 3.406 -3.728
273 3HG1 VAL 42 3HG1 VAL 42 -10.595 4.847 -2.735
274 1HG2 VAL 42 1HG2 VAL 42 -7.779 1.962 -3.513
275 2HG2 VAL 42 2HG2 VAL 42 -7.950 3.505 -4.351
276 3HG2 VAL 42 3HG2 VAL 42 -9.270 2.336 -4.378
277 H GLU 43 H GLU 43 -7.508 4.191 0.267
278 HA GLU 43 HA GLU 43 -9.779 5.644 1.478
279 1HB GLU 43 2HB GLU 43 -7.473 4.227 2.847
280 2HB GLU 43 1HB GLU 43 -8.992 4.732 3.586
281 1HG GLU 43 2HG GLU 43 -8.928 2.829 1.242
282 2HG GLU 43 1HG GLU 43 -8.795 2.255 2.905
283 H SER 44 H SER 44 -6.480 6.170 0.640
284 HA SER 44 HA SER 44 -6.167 8.399 2.557
285 1HB SER 44 2HB SER 44 -4.391 6.719 1.004
286 2HB SER 44 1HB SER 44 -4.036 8.419 0.713
287 HG SER 44 HG SER 44 -4.036 8.657 3.037
288 H ASN 45 H ASN 45 -7.864 8.101 -0.170
289 HA ASN 45 HA ASN 45 -8.669 9.634 -1.739
290 1HB ASN 45 2HB ASN 45 -7.583 11.284 0.471
291 2HB ASN 45 1HB ASN 45 -7.779 12.105 -1.074
292 1HD2 ASN 45 1HD2 ASN 45 -9.956 12.360 -1.922
293 2HD2 ASN 45 2HD2 ASN 45 -11.325 12.048 -0.970
294 H GLY 46 H GLY 46 -6.238 8.267 -2.297
295 1HA GLY 46 2HA GLY 46 -4.435 8.347 -3.793
296 2HA GLY 46 1HA GLY 46 -5.256 9.731 -4.518
297 H THR 47 H THR 47 -4.336 9.807 -1.148
298 HA THR 47 HA THR 47 -2.346 11.915 -1.853
299 HB THR 47 HB THR 47 -4.359 12.367 -0.284
300 HG1 THR 47 1HG THR 47 -2.121 13.439 -0.502
301 1HG2 THR 47 1HG2 THR 47 -2.716 11.462 1.984
302 2HG2 THR 47 2HG2 THR 47 -3.405 10.150 1.026
303 3HG2 THR 47 3HG2 THR 47 -4.460 11.365 1.748
304 H LEU 48 H LEU 48 -2.546 8.704 -0.783
305 HA LEU 48 HA LEU 48 -0.221 8.703 0.960
306 1HB LEU 48 2HB LEU 48 -2.138 6.936 0.764
307 2HB LEU 48 1HB LEU 48 -1.169 6.284 -0.559
308 HG LEU 48 HG LEU 48 0.770 6.087 0.942
309 1HD1 LEU 48 1HD1 LEU 48 0.856 7.315 2.826
310 2HD1 LEU 48 2HD1 LEU 48 -0.508 6.407 3.476
311 3HD1 LEU 48 3HD1 LEU 48 -0.791 7.875 2.540
312 1HD2 LEU 48 1HD2 LEU 48 -1.610 4.870 2.351
313 2HD2 LEU 48 2HD2 LEU 48 0.006 4.192 2.156
314 3HD2 LEU 48 3HD2 LEU 48 -1.079 4.297 0.770
315 H THR 49 H THR 49 1.908 7.993 0.414
316 HA THR 49 HA THR 49 2.463 7.794 -2.513
317 HB THR 49 HB THR 49 4.577 9.099 -2.061
318 HG1 THR 49 1HG THR 49 4.401 10.409 -0.114
319 1HG2 THR 49 1HG2 THR 49 2.449 10.076 -3.020
320 2HG2 THR 49 2HG2 THR 49 3.489 11.240 -2.198
321 3HG2 THR 49 3HG2 THR 49 2.049 10.619 -1.391
322 H LEU 50 H LEU 50 5.184 7.358 -2.379
323 HA LEU 50 HA LEU 50 5.359 4.846 -0.760
324 1HB LEU 50 2HB LEU 50 5.275 4.609 -3.294
325 2HB LEU 50 1HB LEU 50 6.837 5.428 -3.338
326 HG LEU 50 HG LEU 50 7.874 3.693 -2.036
327 1HD1 LEU 50 1HD1 LEU 50 6.134 1.655 -1.603
328 2HD1 LEU 50 2HD1 LEU 50 5.044 3.028 -1.425
329 3HD1 LEU 50 3HD1 LEU 50 6.475 2.901 -0.402
330 1HD2 LEU 50 1HD2 LEU 50 7.943 2.876 -4.193
331 2HD2 LEU 50 2HD2 LEU 50 6.189 2.904 -4.371
332 3HD2 LEU 50 3HD2 LEU 50 6.963 1.607 -3.460
333 H SER 51 H SER 51 7.738 4.267 -0.291
334 HA SER 51 HA SER 51 9.335 6.752 0.138
335 1HB SER 51 2HB SER 51 8.082 5.548 2.186
336 2HB SER 51 1HB SER 51 9.537 4.556 2.144
337 HG SER 51 HG SER 51 9.605 7.386 2.086
338 H HIS 52 H HIS 52 9.418 3.190 -0.087
339 HA HIS 52 HA HIS 52 11.613 3.125 -1.856
340 1HB HIS 52 2HB HIS 52 13.469 2.495 -0.407
341 2HB HIS 52 1HB HIS 52 12.863 4.072 0.091
342 HD1 HIS 52 1HD HIS 52 13.070 0.496 1.176
343 HD2 HIS 52 2HD HIS 52 11.511 4.086 2.611
344 HE1 HIS 52 1HE HIS 52 12.472 0.096 3.604
345 H PHE 53 H PHE 53 10.918 1.317 -2.813
346 HA PHE 53 HA PHE 53 9.401 -0.777 -1.833
347 1HB PHE 53 2HB PHE 53 11.689 -0.986 -3.817
348 2HB PHE 53 1HB PHE 53 10.386 -2.153 -3.628
349 HD1 PHE 53 1HD PHE 53 11.214 1.296 -4.691
350 HD2 PHE 53 2HD PHE 53 8.177 -1.734 -4.494
351 HE1 PHE 53 1HE PHE 53 9.799 2.612 -6.247
352 HE2 PHE 53 2HE PHE 53 6.761 -0.416 -6.045
353 HZ PHE 53 HZ PHE 53 7.573 1.755 -6.923
354 H GLY 54 H GLY 54 9.923 -1.594 0.222
355 1HA GLY 54 2HA GLY 54 11.757 -3.662 0.530
356 2HA GLY 54 1HA GLY 54 12.656 -2.214 0.979
357 H LYS 55 H LYS 55 12.299 -4.067 2.929
358 HA LYS 55 HA LYS 55 9.886 -3.589 4.490
359 1HB LYS 55 2HB LYS 55 11.345 -5.692 4.545
360 2HB LYS 55 1HB LYS 55 12.494 -4.751 5.495
361 1HG LYS 55 2HG LYS 55 11.194 -4.815 7.358
362 2HG LYS 55 1HG LYS 55 9.708 -4.565 6.440
363 1HD LYS 55 2HD LYS 55 9.243 -6.760 6.575
364 2HD LYS 55 1HD LYS 55 10.756 -7.136 5.752
365 1HE LYS 55 2HE LYS 55 11.370 -6.384 8.443
366 2HE LYS 55 1HE LYS 55 10.089 -7.596 8.487
367 1HZ LYS 55 1HZ LYS 55 11.435 -9.174 7.671
368 2HZ LYS 55 2HZ LYS 55 12.683 -8.172 8.239
369 3HZ LYS 55 3HZ LYS 55 12.225 -8.120 6.604
370 H CYS 56 H CYS 56 9.554 -1.853 5.802
371 HA CYS 56 HA CYS 56 11.505 0.225 6.105
372 1HB CYS 56 2HB CYS 56 8.857 -0.374 7.408
373 2HB CYS 56 1HB CYS 56 9.862 0.943 8.011
Start of MODEL 15
1 1H ALA 3 1HT ALA 3 6.477 11.412 -11.812
2 2H ALA 3 2HT ALA 3 7.841 10.415 -11.997
3 3H ALA 3 3HT ALA 3 7.984 11.925 -11.229
4 HA ALA 3 HA ALA 3 7.975 10.443 -9.462
5 1HB ALA 3 1HB ALA 3 5.584 10.657 -8.531
6 2HB ALA 3 2HB ALA 3 5.203 11.506 -10.028
7 3HB ALA 3 3HB ALA 3 6.417 12.160 -8.928
8 H VAL 4 H VAL 4 6.586 8.636 -8.346
9 HA VAL 4 HA VAL 4 5.837 6.651 -10.457
10 HB VAL 4 HB VAL 4 6.522 4.923 -8.733
11 1HG1 VAL 4 1HG1 VAL 4 9.082 6.010 -8.980
12 2HG1 VAL 4 2HG1 VAL 4 8.192 6.689 -10.342
13 3HG1 VAL 4 3HG1 VAL 4 8.290 4.940 -10.136
14 1HG2 VAL 4 1HG2 VAL 4 7.155 5.568 -6.666
15 2HG2 VAL 4 2HG2 VAL 4 6.631 7.200 -7.083
16 3HG2 VAL 4 3HG2 VAL 4 8.313 6.723 -7.327
17 H SER 5 H SER 5 4.125 5.137 -9.837
18 HA SER 5 HA SER 5 2.493 5.921 -7.492
19 1HB SER 5 2HB SER 5 0.508 6.309 -8.749
20 2HB SER 5 1HB SER 5 1.762 7.224 -9.580
21 HG SER 5 HG SER 5 0.575 6.001 -11.061
22 H VAL 6 H VAL 6 0.229 4.341 -8.339
23 HA VAL 6 HA VAL 6 1.386 1.629 -8.721
24 HB VAL 6 HB VAL 6 1.247 1.962 -6.284
25 1HG1 VAL 6 1HG1 VAL 6 -1.468 2.949 -7.046
26 2HG1 VAL 6 2HG1 VAL 6 -0.364 3.546 -5.808
27 3HG1 VAL 6 3HG1 VAL 6 -1.314 2.090 -5.515
28 1HG2 VAL 6 1HG2 VAL 6 0.809 -0.283 -6.995
29 2HG2 VAL 6 2HG2 VAL 6 -0.816 0.134 -7.538
30 3HG2 VAL 6 3HG2 VAL 6 -0.444 0.102 -5.814
31 H ASP 7 H ASP 7 -0.098 0.162 -9.675
32 HA ASP 7 HA ASP 7 -2.240 1.362 -11.200
33 1HB ASP 7 2HB ASP 7 -2.660 -0.875 -12.023
34 2HB ASP 7 1HB ASP 7 -0.913 -0.668 -11.905
35 H CYS 8 H CYS 8 -4.268 1.781 -10.476
36 HA CYS 8 HA CYS 8 -5.464 0.005 -8.420
37 1HB CYS 8 2HB CYS 8 -4.284 2.347 -7.634
38 2HB CYS 8 1HB CYS 8 -5.934 2.883 -7.948
39 H SER 9 H SER 9 -6.171 0.018 -11.068
40 HA SER 9 HA SER 9 -8.021 1.792 -12.095
41 1HB SER 9 2HB SER 9 -8.507 -1.180 -12.208
42 2HB SER 9 1HB SER 9 -8.840 0.030 -13.442
43 HG SER 9 HG SER 9 -6.950 -1.061 -13.964
44 H GLU 10 H GLU 10 -9.158 2.704 -10.299
45 HA GLU 10 HA GLU 10 -10.804 2.779 -8.588
46 1HB GLU 10 2HB GLU 10 -11.823 2.334 -11.232
47 2HB GLU 10 1HB GLU 10 -12.884 1.535 -10.070
48 1HG GLU 10 2HG GLU 10 -13.729 3.519 -9.436
49 2HG GLU 10 1HG GLU 10 -12.115 4.093 -9.014
50 H TYR 11 H TYR 11 -9.214 0.345 -8.319
51 HA TYR 11 HA TYR 11 -11.356 -1.345 -7.120
52 1HB TYR 11 2HB TYR 11 -10.546 -3.356 -8.027
53 2HB TYR 11 1HB TYR 11 -10.477 -2.229 -9.378
54 HD1 TYR 11 1HD TYR 11 -8.651 -4.592 -7.465
55 HD2 TYR 11 2HD TYR 11 -8.194 -0.927 -9.657
56 HE1 TYR 11 1HE TYR 11 -6.221 -5.026 -7.686
57 HE2 TYR 11 2HE TYR 11 -5.765 -1.363 -9.878
58 HH TYR 11 HH TYR 11 -4.137 -3.651 -8.044
59 HA PRO 12 HA PRO 12 -8.234 -0.713 -3.894
60 1HB PRO 12 2HB PRO 12 -10.090 -0.611 -1.871
61 2HB PRO 12 1HB PRO 12 -9.638 0.798 -2.845
62 1HG PRO 12 2HG PRO 12 -12.134 -0.829 -2.950
63 2HG PRO 12 1HG PRO 12 -11.877 0.862 -3.408
64 1HD PRO 12 2HD PRO 12 -12.056 -1.340 -5.187
65 2HD PRO 12 1HD PRO 12 -11.502 0.298 -5.596
66 H LYS 13 H LYS 13 -8.024 -2.094 -1.746
67 HA LYS 13 HA LYS 13 -9.509 -4.561 -1.569
68 1HB LYS 13 2HB LYS 13 -7.050 -4.507 -3.220
69 2HB LYS 13 1HB LYS 13 -7.160 -5.830 -2.057
70 1HG LYS 13 2HG LYS 13 -9.718 -5.502 -3.295
71 2HG LYS 13 1HG LYS 13 -8.494 -5.591 -4.561
72 1HD LYS 13 2HD LYS 13 -7.758 -7.718 -3.874
73 2HD LYS 13 1HD LYS 13 -8.463 -7.546 -2.268
74 1HE LYS 13 2HE LYS 13 -10.331 -8.570 -2.988
75 2HE LYS 13 1HE LYS 13 -10.577 -7.277 -4.163
76 1HZ LYS 13 1HZ LYS 13 -8.537 -9.201 -4.873
77 2HZ LYS 13 2HZ LYS 13 -9.771 -8.520 -5.824
78 3HZ LYS 13 3HZ LYS 13 -10.109 -9.836 -4.805
79 H CYS 14 H CYS 14 -9.576 -4.190 0.638
80 HA CYS 14 HA CYS 14 -7.035 -3.799 2.103
81 1HB CYS 14 2HB CYS 14 -9.851 -3.988 3.212
82 2HB CYS 14 1HB CYS 14 -8.424 -3.356 4.036
83 H ALA 15 H ALA 15 -7.910 -6.341 0.712
84 HA ALA 15 HA ALA 15 -7.206 -8.160 2.927
85 1HB ALA 15 1HB ALA 15 -9.093 -9.567 2.743
86 2HB ALA 15 2HB ALA 15 -9.580 -8.860 1.203
87 3HB ALA 15 3HB ALA 15 -9.791 -7.948 2.697
88 H CYS 16 H CYS 16 -5.296 -7.954 1.393
89 HA CYS 16 HA CYS 16 -5.543 -9.204 -1.234
90 1HB CYS 16 2HB CYS 16 -2.952 -8.679 0.213
91 2HB CYS 16 1HB CYS 16 -3.269 -8.650 -1.522
92 H THR 17 H THR 17 -3.797 -10.976 -1.721
93 HA THR 17 HA THR 17 -4.354 -13.191 0.153
94 HB THR 17 HB THR 17 -4.801 -13.599 -2.197
95 HG1 THR 17 1HG THR 17 -3.595 -15.452 -2.415
96 1HG2 THR 17 1HG2 THR 17 -3.533 -12.321 -3.587
97 2HG2 THR 17 2HG2 THR 17 -2.444 -13.708 -3.557
98 3HG2 THR 17 3HG2 THR 17 -2.148 -12.331 -2.496
99 H MET 18 H MET 18 -1.537 -14.006 -1.469
100 HA MET 18 HA MET 18 0.093 -13.134 0.874
101 1HB MET 18 2HB MET 18 -0.445 -15.679 0.342
102 2HB MET 18 1HB MET 18 0.881 -15.483 -0.806
103 1HG MET 18 2HG MET 18 2.111 -16.065 1.054
104 2HG MET 18 1HG MET 18 2.032 -14.324 1.317
105 1HE MET 18 1HE MET 18 0.137 -17.414 1.419
106 2HE MET 18 2HE MET 18 -0.965 -17.347 2.792
107 3HE MET 18 3HE MET 18 0.694 -17.891 3.030
108 H GLU 19 H GLU 19 -0.384 -11.980 -1.989
109 HA GLU 19 HA GLU 19 1.871 -12.185 -3.613
110 1HB GLU 19 2HB GLU 19 -0.149 -10.124 -3.079
111 2HB GLU 19 1HB GLU 19 1.394 -9.454 -3.606
112 1HG GLU 19 2HG GLU 19 0.008 -9.919 -5.562
113 2HG GLU 19 1HG GLU 19 1.376 -11.032 -5.539
114 H TYR 20 H TYR 20 4.026 -11.618 -3.384
115 HA TYR 20 HA TYR 20 4.760 -10.302 -0.811
116 1HB TYR 20 2HB TYR 20 5.727 -12.610 -1.746
117 2HB TYR 20 1HB TYR 20 6.824 -11.499 -2.568
118 HD1 TYR 20 1HD TYR 20 8.507 -10.292 -1.394
119 HD2 TYR 20 2HD TYR 20 5.532 -12.515 0.765
120 HE1 TYR 20 1HE TYR 20 9.772 -9.942 0.709
121 HE2 TYR 20 2HE TYR 20 6.799 -12.167 2.869
122 HH TYR 20 HH TYR 20 8.949 -9.926 3.366
123 H ARG 21 H ARG 21 4.617 -8.161 -1.319
124 HA ARG 21 HA ARG 21 6.712 -7.098 -3.107
125 1HB ARG 21 2HB ARG 21 3.956 -5.901 -3.299
126 2HB ARG 21 1HB ARG 21 5.291 -5.799 -4.446
127 1HG ARG 21 2HG ARG 21 3.893 -8.406 -3.817
128 2HG ARG 21 1HG ARG 21 3.365 -7.338 -5.118
129 1HD ARG 21 2HD ARG 21 5.175 -7.824 -6.432
130 2HD ARG 21 1HD ARG 21 6.267 -7.957 -5.053
131 HE ARG 21 HE ARG 21 4.837 -10.195 -4.694
132 1HH1 ARG 21 1HH2 ARG 21 7.313 -9.539 -6.696
133 2HH1 ARG 21 2HH2 ARG 21 6.914 -10.685 -7.932
134 1HH2 ARG 21 1HH1 ARG 21 3.753 -11.344 -6.672
135 2HH2 ARG 21 2HH1 ARG 21 4.900 -11.706 -7.919
136 HA PRO 22 HA PRO 22 6.479 -4.887 0.854
137 1HB PRO 22 2HB PRO 22 9.198 -4.500 1.010
138 2HB PRO 22 1HB PRO 22 8.375 -5.962 1.583
139 1HG PRO 22 2HG PRO 22 10.015 -5.573 -0.882
140 2HG PRO 22 1HG PRO 22 9.738 -7.047 0.060
141 1HD PRO 22 2HD PRO 22 8.472 -6.398 -2.377
142 2HD PRO 22 1HD PRO 22 7.942 -7.656 -1.237
143 H LEU 23 H LEU 23 5.829 -2.797 0.617
144 HA LEU 23 HA LEU 23 7.471 -1.008 -1.133
145 1HB LEU 23 2HB LEU 23 4.538 -0.604 -0.529
146 2HB LEU 23 1HB LEU 23 5.501 0.146 -1.801
147 HG LEU 23 HG LEU 23 5.277 -2.840 -1.765
148 1HD1 LEU 23 1HD1 LEU 23 2.977 -2.412 -1.584
149 2HD1 LEU 23 2HD1 LEU 23 3.228 -2.413 -3.331
150 3HD1 LEU 23 3HD1 LEU 23 3.096 -0.886 -2.460
151 1HD2 LEU 23 1HD2 LEU 23 5.246 -2.344 -4.272
152 2HD2 LEU 23 2HD2 LEU 23 6.727 -1.899 -3.424
153 3HD2 LEU 23 3HD2 LEU 23 5.549 -0.659 -3.848
154 H CYS 24 H CYS 24 8.284 0.785 -0.121
155 HA CYS 24 HA CYS 24 7.634 1.160 2.737
156 1HB CYS 24 2HB CYS 24 9.978 1.232 2.238
157 2HB CYS 24 1HB CYS 24 9.727 2.351 0.898
158 H GLY 25 H GLY 25 5.521 2.073 2.605
159 1HA GLY 25 2HA GLY 25 4.653 4.138 0.913
160 2HA GLY 25 1HA GLY 25 4.047 3.906 2.554
161 H SER 26 H SER 26 4.871 6.378 0.933
162 HA SER 26 HA SER 26 7.211 7.570 1.905
163 1HB SER 26 2HB SER 26 6.135 8.895 0.339
164 2HB SER 26 1HB SER 26 4.546 8.625 1.049
165 HG SER 26 HG SER 26 4.976 10.591 1.770
166 H ASP 27 H ASP 27 4.371 6.735 3.679
167 HA ASP 27 HA ASP 27 4.933 8.631 5.861
168 1HB ASP 27 2HB ASP 27 2.972 7.663 6.936
169 2HB ASP 27 1HB ASP 27 2.597 8.000 5.245
170 H ASN 28 H ASN 28 6.846 6.426 5.045
171 HA ASN 28 HA ASN 28 8.332 4.987 6.150
172 1HB ASN 28 2HB ASN 28 7.947 7.010 7.867
173 2HB ASN 28 1HB ASN 28 7.211 5.718 8.817
174 1HD2 ASN 28 1HD2 ASN 28 10.181 6.157 6.795
175 2HD2 ASN 28 2HD2 ASN 28 11.209 5.349 7.879
176 H LYS 29 H LYS 29 5.557 4.103 5.457
177 HA LYS 29 HA LYS 29 5.122 2.088 7.607
178 1HB LYS 29 2HB LYS 29 3.320 3.699 6.250
179 2HB LYS 29 1HB LYS 29 3.157 2.137 5.444
180 1HG LYS 29 2HG LYS 29 1.629 2.138 7.300
181 2HG LYS 29 1HG LYS 29 2.977 1.085 7.734
182 1HD LYS 29 2HD LYS 29 3.880 3.517 8.616
183 2HD LYS 29 1HD LYS 29 2.147 3.656 8.914
184 1HE LYS 29 2HE LYS 29 2.304 1.338 10.001
185 2HE LYS 29 1HE LYS 29 4.053 1.561 9.971
186 1HZ LYS 29 1HZ LYS 29 2.266 2.530 11.848
187 2HZ LYS 29 2HZ LYS 29 2.794 3.884 10.968
188 3HZ LYS 29 3HZ LYS 29 3.923 2.871 11.733
189 H THR 30 H THR 30 4.476 -0.128 6.787
190 HA THR 30 HA THR 30 5.958 -0.801 4.277
191 HB THR 30 HB THR 30 5.949 -2.234 6.944
192 HG1 THR 30 1HG THR 30 7.786 -1.264 7.054
193 1HG2 THR 30 1HG2 THR 30 6.014 -4.160 5.769
194 2HG2 THR 30 2HG2 THR 30 7.607 -3.644 5.216
195 3HG2 THR 30 3HG2 THR 30 6.180 -3.303 4.237
196 H TYR 31 H TYR 31 4.406 -1.428 2.837
197 HA TYR 31 HA TYR 31 1.982 -2.808 3.834
198 1HB TYR 31 2HB TYR 31 2.737 -1.598 1.162
199 2HB TYR 31 1HB TYR 31 1.241 -2.482 1.437
200 HD1 TYR 31 1HD TYR 31 2.774 0.705 1.552
201 HD2 TYR 31 2HD TYR 31 -0.165 -1.716 3.543
202 HE1 TYR 31 1HE TYR 31 1.746 2.745 2.519
203 HE2 TYR 31 2HE TYR 31 -1.191 0.325 4.507
204 HH TYR 31 HH TYR 31 0.339 3.329 4.503
205 H GLY 32 H GLY 32 1.451 -4.913 3.172
206 1HA GLY 32 2HA GLY 32 3.630 -6.687 2.584
207 2HA GLY 32 1HA GLY 32 1.923 -7.130 2.557
208 H ASN 33 H ASN 33 1.317 -4.995 0.536
209 HA ASN 33 HA ASN 33 2.909 -5.566 -1.808
210 1HB ASN 33 2HB ASN 33 0.946 -6.707 -3.020
211 2HB ASN 33 1HB ASN 33 1.866 -7.691 -1.882
212 1HD2 ASN 33 1HD2 ASN 33 0.535 -8.891 -0.537
213 2HD2 ASN 33 2HD2 ASN 33 -1.000 -8.410 0.006
214 H LYS 34 H LYS 34 1.882 -4.566 -3.773
215 HA LYS 34 HA LYS 34 0.962 -1.945 -3.214
216 1HB LYS 34 2HB LYS 34 0.265 -2.007 -5.704
217 2HB LYS 34 1HB LYS 34 1.970 -2.258 -5.331
218 1HG LYS 34 2HG LYS 34 1.871 -4.546 -5.772
219 2HG LYS 34 1HG LYS 34 0.134 -4.629 -5.476
220 1HD LYS 34 2HD LYS 34 0.054 -4.681 -7.766
221 2HD LYS 34 1HD LYS 34 0.138 -2.930 -7.572
222 1HE LYS 34 2HE LYS 34 2.131 -2.863 -8.610
223 2HE LYS 34 1HE LYS 34 2.797 -4.041 -7.479
224 1HZ LYS 34 1HZ LYS 34 1.440 -5.705 -8.904
225 2HZ LYS 34 2HZ LYS 34 2.947 -5.153 -9.463
226 3HZ LYS 34 3HZ LYS 34 1.511 -4.488 -10.085
227 H CYS 35 H CYS 35 -0.764 -4.924 -3.298
228 HA CYS 35 HA CYS 35 -3.349 -3.830 -3.985
229 1HB CYS 35 2HB CYS 35 -3.236 -6.144 -4.225
230 2HB CYS 35 1HB CYS 35 -2.323 -6.364 -2.742
231 H ASN 36 H ASN 36 -1.519 -4.308 -1.023
232 HA ASN 36 HA ASN 36 -3.669 -3.399 0.725
233 1HB ASN 36 2HB ASN 36 -1.287 -4.755 1.109
234 2HB ASN 36 1HB ASN 36 -0.916 -3.147 1.727
235 1HD2 ASN 36 1HD2 ASN 36 -4.021 -4.962 1.785
236 2HD2 ASN 36 2HD2 ASN 36 -4.185 -4.927 3.473
237 H PHE 37 H PHE 37 -1.056 -2.020 -1.106
238 HA PHE 37 HA PHE 37 -1.040 0.560 0.215
239 1HB PHE 37 2HB PHE 37 0.840 -0.378 -1.206
240 2HB PHE 37 1HB PHE 37 -0.176 -0.098 -2.619
241 HD1 PHE 37 1HD PHE 37 -0.955 2.261 -3.130
242 HD2 PHE 37 2HD PHE 37 2.032 1.398 -0.166
243 HE1 PHE 37 1HE PHE 37 -0.220 4.629 -3.181
244 HE2 PHE 37 2HE PHE 37 2.768 3.767 -0.216
245 HZ PHE 37 HZ PHE 37 1.642 5.382 -1.725
246 H CYS 38 H CYS 38 -2.842 -0.955 -2.353
247 HA CYS 38 HA CYS 38 -4.039 1.456 -3.412
248 1HB CYS 38 2HB CYS 38 -4.287 -1.441 -3.800
249 2HB CYS 38 1HB CYS 38 -5.831 -0.598 -3.921
250 H CYS 39 H CYS 39 -4.753 -0.758 -0.785
251 HA CYS 39 HA CYS 39 -7.419 0.372 -0.320
252 1HB CYS 39 2HB CYS 39 -7.246 -1.882 0.369
253 2HB CYS 39 1HB CYS 39 -5.675 -1.625 1.125
254 H ALA 40 H ALA 40 -4.138 0.888 0.795
255 HA ALA 40 HA ALA 40 -4.929 2.609 3.023
256 1HB ALA 40 1HB ALA 40 -2.705 1.255 2.701
257 2HB ALA 40 2HB ALA 40 -2.637 2.852 3.446
258 3HB ALA 40 3HB ALA 40 -2.204 2.653 1.748
259 H VAL 41 H VAL 41 -4.436 2.931 -0.368
260 HA VAL 41 HA VAL 41 -3.991 5.834 -0.282
261 HB VAL 41 HB VAL 41 -4.387 3.827 -2.511
262 1HG1 VAL 41 1HG1 VAL 41 -4.644 6.770 -2.526
263 2HG1 VAL 41 2HG1 VAL 41 -5.218 5.586 -3.698
264 3HG1 VAL 41 3HG1 VAL 41 -3.539 6.126 -3.739
265 1HG2 VAL 41 1HG2 VAL 41 -2.042 5.662 -2.000
266 2HG2 VAL 41 2HG2 VAL 41 -2.084 4.172 -2.943
267 3HG2 VAL 41 3HG2 VAL 41 -2.183 4.105 -1.183
268 H VAL 42 H VAL 42 -6.641 3.581 -0.840
269 HA VAL 42 HA VAL 42 -8.469 5.780 -1.580
270 HB VAL 42 HB VAL 42 -8.812 2.782 -1.328
271 1HG1 VAL 42 1HG1 VAL 42 -10.881 4.929 -1.869
272 2HG1 VAL 42 2HG1 VAL 42 -10.892 3.740 -0.567
273 3HG1 VAL 42 3HG1 VAL 42 -11.128 3.221 -2.236
274 1HG2 VAL 42 1HG2 VAL 42 -7.727 3.414 -3.368
275 2HG2 VAL 42 2HG2 VAL 42 -8.817 4.780 -3.603
276 3HG2 VAL 42 3HG2 VAL 42 -9.417 3.132 -3.786
277 H GLU 43 H GLU 43 -7.343 4.334 1.268
278 HA GLU 43 HA GLU 43 -9.850 5.005 2.740
279 1HB GLU 43 2HB GLU 43 -8.924 3.705 4.586
280 2HB GLU 43 1HB GLU 43 -8.847 2.744 3.108
281 1HG GLU 43 2HG GLU 43 -6.667 2.446 3.681
282 2HG GLU 43 1HG GLU 43 -6.453 4.063 3.009
283 H SER 44 H SER 44 -6.497 5.923 2.333
284 HA SER 44 HA SER 44 -6.554 7.700 4.683
285 1HB SER 44 2HB SER 44 -4.507 6.403 3.527
286 2HB SER 44 1HB SER 44 -4.403 7.915 2.629
287 HG SER 44 HG SER 44 -4.723 8.752 4.988
288 H ASN 45 H ASN 45 -8.003 7.897 1.788
289 HA ASN 45 HA ASN 45 -8.993 9.749 0.718
290 1HB ASN 45 2HB ASN 45 -8.231 10.773 3.212
291 2HB ASN 45 1HB ASN 45 -7.519 11.881 2.038
292 1HD2 ASN 45 1HD2 ASN 45 -9.437 13.152 3.342
293 2HD2 ASN 45 2HD2 ASN 45 -10.913 13.193 2.506
294 H GLY 46 H GLY 46 -6.223 8.530 0.213
295 1HA GLY 46 2HA GLY 46 -4.720 8.821 -1.589
296 2HA GLY 46 1HA GLY 46 -5.513 10.356 -1.952
297 H THR 47 H THR 47 -4.535 9.874 1.317
298 HA THR 47 HA THR 47 -2.448 11.956 0.953
299 HB THR 47 HB THR 47 -4.236 12.213 2.711
300 HG1 THR 47 1HG THR 47 -2.647 13.395 3.397
301 1HG2 THR 47 1HG2 THR 47 -4.099 9.677 3.240
302 2HG2 THR 47 2HG2 THR 47 -4.322 10.795 4.585
303 3HG2 THR 47 3HG2 THR 47 -2.727 10.117 4.258
304 H LEU 48 H LEU 48 -2.219 8.944 0.356
305 HA LEU 48 HA LEU 48 0.233 8.502 2.015
306 1HB LEU 48 2HB LEU 48 -1.818 6.937 2.377
307 2HB LEU 48 1HB LEU 48 -1.372 6.251 0.815
308 HG LEU 48 HG LEU 48 1.020 6.504 2.338
309 1HD1 LEU 48 1HD1 LEU 48 -0.587 6.592 4.292
310 2HD1 LEU 48 2HD1 LEU 48 0.537 5.232 4.329
311 3HD1 LEU 48 3HD1 LEU 48 -1.135 4.981 3.828
312 1HD2 LEU 48 1HD2 LEU 48 1.302 4.498 1.344
313 2HD2 LEU 48 2HD2 LEU 48 -0.336 4.645 0.709
314 3HD2 LEU 48 3HD2 LEU 48 -0.054 3.813 2.239
315 H THR 49 H THR 49 2.088 8.024 0.858
316 HA THR 49 HA THR 49 1.775 7.536 -2.075
317 HB THR 49 HB THR 49 3.225 9.229 -2.652
318 HG1 THR 49 1HG THR 49 4.814 9.990 -1.122
319 1HG2 THR 49 1HG2 THR 49 2.892 11.205 -1.132
320 2HG2 THR 49 2HG2 THR 49 2.119 10.120 0.023
321 3HG2 THR 49 3HG2 THR 49 1.397 10.378 -1.565
322 H LEU 50 H LEU 50 4.643 7.514 -2.438
323 HA LEU 50 HA LEU 50 5.348 5.023 -0.940
324 1HB LEU 50 2HB LEU 50 4.788 4.698 -3.395
325 2HB LEU 50 1HB LEU 50 6.191 5.696 -3.773
326 HG LEU 50 HG LEU 50 7.674 4.134 -2.652
327 1HD1 LEU 50 1HD1 LEU 50 6.431 1.894 -1.939
328 2HD1 LEU 50 2HD1 LEU 50 5.070 2.993 -1.713
329 3HD1 LEU 50 3HD1 LEU 50 6.568 3.248 -0.818
330 1HD2 LEU 50 1HD2 LEU 50 6.646 1.949 -3.970
331 2HD2 LEU 50 2HD2 LEU 50 7.601 3.219 -4.733
332 3HD2 LEU 50 3HD2 LEU 50 5.840 3.282 -4.798
333 H SER 51 H SER 51 7.815 4.704 -0.888
334 HA SER 51 HA SER 51 9.336 7.229 -1.130
335 1HB SER 51 2HB SER 51 8.369 6.150 1.394
336 2HB SER 51 1HB SER 51 10.125 6.288 1.373
337 HG SER 51 HG SER 51 8.613 8.395 0.335
338 H HIS 52 H HIS 52 9.328 3.743 -0.487
339 HA HIS 52 HA HIS 52 11.886 3.516 -1.890
340 1HB HIS 52 2HB HIS 52 12.968 3.900 0.126
341 2HB HIS 52 1HB HIS 52 11.644 3.245 1.083
342 HD1 HIS 52 1HD HIS 52 11.660 0.744 1.586
343 HD2 HIS 52 2HD HIS 52 14.742 1.893 -0.972
344 HE1 HIS 52 1HE HIS 52 13.203 -1.248 1.393
345 H PHE 53 H PHE 53 10.749 2.136 -3.303
346 HA PHE 53 HA PHE 53 8.964 0.088 -2.780
347 1HB PHE 53 2HB PHE 53 10.743 0.768 -4.910
348 2HB PHE 53 1HB PHE 53 10.883 -0.966 -4.624
349 HD1 PHE 53 1HD PHE 53 8.602 1.773 -5.567
350 HD2 PHE 53 2HD PHE 53 8.986 -2.459 -4.943
351 HE1 PHE 53 1HE PHE 53 6.432 1.407 -6.709
352 HE2 PHE 53 2HE PHE 53 6.815 -2.826 -6.084
353 HZ PHE 53 HZ PHE 53 5.538 -0.893 -6.967
354 H GLY 54 H GLY 54 9.302 -1.029 -0.832
355 1HA GLY 54 2HA GLY 54 10.494 -3.425 -0.624
356 2HA GLY 54 1HA GLY 54 11.896 -2.378 -0.397
357 H LYS 55 H LYS 55 11.790 -3.602 1.777
358 HA LYS 55 HA LYS 55 9.701 -2.878 3.645
359 1HB LYS 55 2HB LYS 55 11.388 -3.744 5.352
360 2HB LYS 55 1HB LYS 55 10.910 -4.891 4.100
361 1HG LYS 55 2HG LYS 55 12.934 -4.575 2.889
362 2HG LYS 55 1HG LYS 55 13.346 -3.126 3.808
363 1HD LYS 55 2HD LYS 55 12.940 -5.433 5.545
364 2HD LYS 55 1HD LYS 55 14.213 -5.720 4.359
365 1HE LYS 55 2HE LYS 55 14.259 -3.054 5.646
366 2HE LYS 55 1HE LYS 55 14.622 -4.413 6.709
367 1HZ LYS 55 1HZ LYS 55 16.264 -3.227 4.763
368 2HZ LYS 55 2HZ LYS 55 15.967 -4.835 4.308
369 3HZ LYS 55 3HZ LYS 55 16.636 -4.491 5.831
370 H CYS 56 H CYS 56 9.892 -1.400 5.427
371 HA CYS 56 HA CYS 56 12.077 0.619 5.145
372 1HB CYS 56 2HB CYS 56 9.351 1.023 4.549
373 2HB CYS 56 1HB CYS 56 9.618 1.801 6.108