NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
623304 |
5nq4   |
34125 | cing | 1-original | 1 | MR format | nomenclature mapping |
ct1.upl Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LEU 1 H LEU 1 -9.703 8.927 -2.687
2 HA LEU 1 HA LEU 1 -11.347 7.398 -3.921
3 HB2 LEU 1 1HB LEU 1 -8.479 7.351 -3.598
4 HB3 LEU 1 2HB LEU 1 -9.082 5.734 -3.905
5 HG LEU 1 HG LEU 1 -10.433 7.230 -5.794
6 HD11 LEU 1 1HD1 LEU 1 -9.315 9.256 -5.572
7 HD12 LEU 1 2HD1 LEU 1 -7.742 8.476 -5.279
8 HD13 LEU 1 3HD1 LEU 1 -8.453 8.460 -6.911
9 HD21 LEU 1 1HD2 LEU 1 -7.775 5.819 -6.154
10 HD22 LEU 1 2HD2 LEU 1 -9.364 5.022 -6.077
11 HD23 LEU 1 3HD2 LEU 1 -8.993 6.143 -7.410
12 H LYS 2 H LYS 2 -11.747 4.972 -4.090
13 HA LYS 2 HA LYS 2 -12.383 4.030 -1.405
14 HB2 LYS 2 1HB LYS 2 -13.482 3.543 -4.150
15 HB3 LYS 2 2HB LYS 2 -13.679 2.297 -2.935
16 HG2 LYS 2 1HG LYS 2 -14.623 4.087 -1.372
17 HG3 LYS 2 2HG LYS 2 -14.584 5.205 -2.720
18 HD2 LYS 2 1HD LYS 2 -16.679 4.443 -3.198
19 HD3 LYS 2 2HD LYS 2 -15.877 3.030 -3.855
20 HE2 LYS 2 1HE LYS 2 -17.292 1.971 -2.349
21 HE3 LYS 2 2HE LYS 2 -15.916 2.225 -1.293
22 HZ1 LYS 2 1HZ LYS 2 -18.111 4.208 -1.495
23 HZ2 LYS 2 2HZ LYS 2 -18.135 2.999 -0.404
24 HZ3 LYS 2 3HZ LYS 2 -16.921 4.095 -0.377
25 H CYS 3 H CYS 3 -11.104 2.570 -0.415
26 HA CYS 3 HA CYS 3 -9.377 0.971 -2.160
27 HB2 CYS 3 1HB CYS 3 -8.807 1.548 0.752
28 HB3 CYS 3 2HB CYS 3 -7.709 0.958 -0.481
29 H ASN 4 H ASN 4 -8.984 -1.296 -1.370
30 HA ASN 4 HA ASN 4 -11.399 -2.266 -0.092
31 HB2 ASN 4 1HB ASN 4 -9.225 -3.837 -1.571
32 HB3 ASN 4 2HB ASN 4 -10.781 -4.464 -1.064
33 HD21 ASN 4 1HD2 ASN 4 -10.436 -4.901 -3.529
34 HD22 ASN 4 2HD2 ASN 4 -11.227 -3.792 -4.600
35 H LYS 5 H LYS 5 -10.885 -4.448 1.254
36 HA LYS 5 HA LYS 5 -8.750 -3.727 3.102
37 HB2 LYS 5 1HB LYS 5 -10.874 -5.839 3.502
38 HB3 LYS 5 2HB LYS 5 -9.892 -5.044 4.715
39 HG2 LYS 5 1HG LYS 5 -11.453 -3.419 4.931
40 HG3 LYS 5 2HG LYS 5 -11.229 -2.970 3.252
41 HD2 LYS 5 1HD LYS 5 -13.409 -3.610 3.002
42 HD3 LYS 5 2HD LYS 5 -12.761 -5.238 2.955
43 HE2 LYS 5 1HE LYS 5 -14.466 -5.345 4.613
44 HE3 LYS 5 2HE LYS 5 -12.981 -5.246 5.539
45 HZ1 LYS 5 1HZ LYS 5 -14.000 -2.645 4.923
46 HZ2 LYS 5 2HZ LYS 5 -15.105 -3.521 5.738
47 HZ3 LYS 5 3HZ LYS 5 -13.603 -3.326 6.358
48 H LEU 6 H LEU 6 -8.867 -6.683 4.018
49 HA LEU 6 HA LEU 6 -6.540 -7.495 2.755
50 HB2 LEU 6 1HB LEU 6 -7.783 -8.219 4.965
51 HB3 LEU 6 2HB LEU 6 -8.438 -9.477 3.935
52 HG LEU 6 HG LEU 6 -6.463 -10.225 5.183
53 HD11 LEU 6 1HD1 LEU 6 -5.065 -10.885 3.063
54 HD12 LEU 6 2HD1 LEU 6 -6.713 -11.514 3.298
55 HD13 LEU 6 3HD1 LEU 6 -6.430 -10.151 2.188
56 HD21 LEU 6 1HD2 LEU 6 -5.426 -7.693 4.508
57 HD22 LEU 6 2HD2 LEU 6 -4.643 -8.985 5.448
58 HD23 LEU 6 3HD2 LEU 6 -4.396 -8.892 3.689
59 H VAL 7 H VAL 7 -9.956 -8.615 2.229
60 HA VAL 7 HA VAL 7 -9.054 -9.872 -0.243
61 HB VAL 7 HB VAL 7 -11.615 -10.021 1.354
62 HG11 VAL 7 1HG1 VAL 7 -11.808 -10.201 -1.227
63 HG12 VAL 7 2HG1 VAL 7 -10.993 -11.770 -1.024
64 HG13 VAL 7 3HG1 VAL 7 -12.554 -11.467 -0.223
65 HG21 VAL 7 1HG2 VAL 7 -9.693 -12.274 0.765
66 HG22 VAL 7 2HG2 VAL 7 -9.455 -11.183 2.151
67 HG23 VAL 7 3HG2 VAL 7 -10.937 -12.162 2.033
68 HA PRO 8 HA PRO 8 -10.654 -6.567 -2.542
69 HB2 PRO 8 1HB PRO 8 -10.606 -7.688 -5.033
70 HB3 PRO 8 2HB PRO 8 -9.194 -6.981 -4.272
71 HG2 PRO 8 1HG PRO 8 -9.860 -9.837 -4.652
72 HG3 PRO 8 2HG PRO 8 -8.307 -9.111 -4.295
73 HD2 PRO 8 1HD PRO 8 -10.019 -10.491 -2.454
74 HD3 PRO 8 2HD PRO 8 -8.521 -9.665 -2.074
75 H ILE 9 H ILE 9 -12.583 -7.767 -1.050
76 HA ILE 9 HA ILE 9 -14.732 -7.904 -3.049
77 HB ILE 9 HB ILE 9 -14.107 -10.095 -1.973
78 HG12 ILE 9 1HG1 ILE 9 -16.256 -9.725 -3.075
79 HG13 ILE 9 2HG1 ILE 9 -16.425 -10.788 -1.692
80 HG21 ILE 9 1HG2 ILE 9 -15.090 -10.433 0.334
81 HG22 ILE 9 2HG2 ILE 9 -13.584 -9.487 0.253
82 HG23 ILE 9 3HG2 ILE 9 -15.145 -8.660 0.477
83 HD11 ILE 9 1HD1 ILE 9 -18.139 -9.389 -1.112
84 HD12 ILE 9 2HD1 ILE 9 -16.841 -8.333 -0.506
85 HD13 ILE 9 3HD1 ILE 9 -17.523 -8.063 -2.128
86 H ALA 10 H ALA 10 -13.679 -6.991 0.271
87 HA ALA 10 HA ALA 10 -16.019 -5.223 0.402
88 HB1 ALA 10 1HB ALA 10 -15.983 -6.762 2.239
89 HB2 ALA 10 2HB ALA 10 -14.247 -6.486 2.523
90 HB3 ALA 10 3HB ALA 10 -15.422 -5.198 2.878
91 H TYR 11 H TYR 11 -15.698 -3.064 0.170
92 HA TYR 11 HA TYR 11 -13.180 -1.915 1.003
93 HB2 TYR 11 1HB TYR 11 -12.829 -0.961 -1.299
94 HB3 TYR 11 2HB TYR 11 -12.843 -2.712 -1.377
95 HD1 TYR 11 1HD TYR 11 -14.923 -3.898 -2.193
96 HD2 TYR 11 2HD TYR 11 -14.444 0.344 -2.477
97 HE1 TYR 11 1HE TYR 11 -16.770 -3.798 -3.938
98 HE2 TYR 11 2HE TYR 11 -16.291 0.429 -4.221
99 HH TYR 11 HH TYR 11 -17.804 -0.681 -5.292
100 H LYS 12 H LYS 12 -13.268 0.442 1.120
101 HA LYS 12 HA LYS 12 -15.896 1.597 0.649
102 HB2 LYS 12 1HB LYS 12 -16.002 2.542 2.910
103 HB3 LYS 12 2HB LYS 12 -16.056 0.791 2.933
104 HG2 LYS 12 1HG LYS 12 -13.736 0.631 3.618
105 HG3 LYS 12 2HG LYS 12 -13.448 2.328 3.287
106 HD2 LYS 12 1HD LYS 12 -15.600 1.604 5.280
107 HD3 LYS 12 2HD LYS 12 -13.927 1.455 5.778
108 HE2 LYS 12 1HE LYS 12 -13.687 3.901 4.768
109 HE3 LYS 12 2HE LYS 12 -15.431 3.949 4.935
110 HZ1 LYS 12 1HZ LYS 12 -13.543 4.301 6.959
111 HZ2 LYS 12 2HZ LYS 12 -15.163 4.304 7.121
112 HZ3 LYS 12 3HZ LYS 12 -14.334 2.900 7.258
113 H THR 13 H THR 13 -15.419 4.106 1.804
114 HA THR 13 HA THR 13 -13.287 5.047 0.037
115 HB THR 13 HB THR 13 -15.871 6.099 1.161
116 HG1 THR 13 1HG THR 13 -15.999 5.916 -1.043
117 HG21 THR 13 1HG2 THR 13 -13.346 7.704 0.923
118 HG22 THR 13 2HG2 THR 13 -14.776 8.380 0.106
119 HG23 THR 13 3HG2 THR 13 -14.823 8.052 1.855
120 H CYS 14 H CYS 14 -11.571 6.344 0.708
121 HA CYS 14 HA CYS 14 -11.192 6.320 3.614
122 HB2 CYS 14 1HB CYS 14 -9.263 5.769 1.368
123 HB3 CYS 14 2HB CYS 14 -8.672 6.423 2.883
124 HA PRO 15 HA PRO 15 -11.318 10.625 2.221
125 HB2 PRO 15 1HB PRO 15 -12.905 11.588 4.227
126 HB3 PRO 15 2HB PRO 15 -13.535 11.038 2.688
127 HG2 PRO 15 1HG PRO 15 -13.625 9.687 5.317
128 HG3 PRO 15 2HG PRO 15 -14.592 9.376 3.889
129 HD2 PRO 15 1HD PRO 15 -12.377 7.819 4.833
130 HD3 PRO 15 2HD PRO 15 -13.269 7.576 3.346
131 H GLU 16 H GLU 16 -10.991 9.500 5.538
132 HA GLU 16 HA GLU 16 -9.786 11.564 6.673
133 HB2 GLU 16 1HB GLU 16 -10.211 9.368 7.762
134 HB3 GLU 16 2HB GLU 16 -8.870 8.662 6.883
135 HG2 GLU 16 1HG GLU 16 -7.305 10.287 7.970
136 HG3 GLU 16 2HG GLU 16 -8.646 10.989 8.852
137 HE2 GLU 16 HE GLU 16 -6.445 8.551 8.754
138 H GLY 17 H GLY 17 -8.516 12.932 5.377
139 HA2 GLY 17 1HA GLY 17 -6.833 13.458 3.892
140 HA3 GLY 17 2HA GLY 17 -5.912 12.957 5.297
141 H LYS 18 H LYS 18 -7.849 11.044 2.889
142 HA LYS 18 HA LYS 18 -5.362 9.794 2.011
143 HB2 LYS 18 1HB LYS 18 -7.735 8.343 3.201
144 HB3 LYS 18 2HB LYS 18 -6.578 7.551 2.150
145 HG2 LYS 18 1HG LYS 18 -4.847 7.683 3.705
146 HG3 LYS 18 2HG LYS 18 -5.447 9.168 4.416
147 HD2 LYS 18 1HD LYS 18 -6.612 8.037 6.008
148 HD3 LYS 18 2HD LYS 18 -7.380 7.012 4.813
149 HE2 LYS 18 1HE LYS 18 -6.154 5.365 5.860
150 HE3 LYS 18 2HE LYS 18 -4.902 5.902 4.757
151 HZ1 LYS 18 1HZ LYS 18 -4.912 6.078 7.574
152 HZ2 LYS 18 2HZ LYS 18 -3.700 6.456 6.554
153 HZ3 LYS 18 3HZ LYS 18 -4.830 7.579 6.927
154 H ASN 19 H ASN 19 -5.309 9.432 -0.176
155 HA ASN 19 HA ASN 19 -7.842 9.464 -1.564
156 HB2 ASN 19 1HB ASN 19 -6.558 11.825 -1.437
157 HB3 ASN 19 2HB ASN 19 -5.571 11.119 -2.701
158 HD21 ASN 19 1HD2 ASN 19 -6.611 13.099 -3.716
159 HD22 ASN 19 2HD2 ASN 19 -8.072 12.854 -4.612
160 H LEU 20 H LEU 20 -5.332 7.699 -0.814
161 HA LEU 20 HA LEU 20 -5.061 6.557 -3.466
162 HB2 LEU 20 1HB LEU 20 -2.678 7.399 -1.811
163 HB3 LEU 20 2HB LEU 20 -2.611 6.401 -3.250
164 HG LEU 20 HG LEU 20 -3.641 9.251 -3.186
165 HD11 LEU 20 1HD1 LEU 20 -1.311 9.321 -2.663
166 HD12 LEU 20 2HD1 LEU 20 -0.925 8.154 -3.950
167 HD13 LEU 20 3HD1 LEU 20 -1.500 9.786 -4.370
168 HD21 LEU 20 1HD2 LEU 20 -4.440 8.862 -5.215
169 HD22 LEU 20 2HD2 LEU 20 -2.803 8.445 -5.774
170 HD23 LEU 20 3HD2 LEU 20 -3.876 7.175 -5.138
171 H CYS 21 H CYS 21 -4.343 4.305 -3.395
172 HA CYS 21 HA CYS 21 -4.706 3.179 -0.713
173 HB2 CYS 21 1HB CYS 21 -5.432 1.710 -3.250
174 HB3 CYS 21 2HB CYS 21 -5.907 1.350 -1.603
175 H TYR 22 H TYR 22 -3.327 1.341 -0.203
176 HA TYR 22 HA TYR 22 -1.230 0.774 -2.163
177 HB2 TYR 22 1HB TYR 22 0.455 1.294 -0.495
178 HB3 TYR 22 2HB TYR 22 -0.690 2.612 -0.354
179 HD1 TYR 22 1HD TYR 22 -1.539 3.163 1.747
180 HD2 TYR 22 2HD TYR 22 0.016 -0.771 1.104
181 HE1 TYR 22 1HE TYR 22 -1.835 2.633 4.216
182 HE2 TYR 22 2HE TYR 22 -0.285 -1.286 3.574
183 HH TYR 22 HH TYR 22 -0.370 0.044 5.692
184 H LYS 23 H LYS 23 -0.056 -1.248 -1.712
185 HA LYS 23 HA LYS 23 -1.333 -2.959 0.269
186 HB2 LYS 23 1HB LYS 23 -1.655 -4.761 -1.371
187 HB3 LYS 23 2HB LYS 23 -2.647 -3.362 -1.725
188 HG2 LYS 23 1HG LYS 23 0.038 -3.317 -3.015
189 HG3 LYS 23 2HG LYS 23 -0.999 -4.624 -3.552
190 HD2 LYS 23 1HD LYS 23 -2.508 -2.117 -3.372
191 HD3 LYS 23 2HD LYS 23 -1.095 -1.917 -4.390
192 HE2 LYS 23 1HE LYS 23 -3.037 -4.250 -4.712
193 HE3 LYS 23 2HE LYS 23 -3.228 -2.734 -5.572
194 HZ1 LYS 23 1HZ LYS 23 -1.732 -3.479 -7.049
195 HZ2 LYS 23 2HZ LYS 23 -0.573 -3.554 -5.907
196 HZ3 LYS 23 3HZ LYS 23 -1.542 -4.845 -6.169
197 H MET 24 H MET 24 0.152 -4.166 1.354
198 HA MET 24 HA MET 24 2.854 -4.032 0.294
199 HB2 MET 24 1HB MET 24 1.609 -4.397 3.048
200 HB3 MET 24 2HB MET 24 3.258 -4.932 2.788
201 HG2 MET 24 1HG MET 24 4.067 -2.793 2.759
202 HG3 MET 24 2HG MET 24 2.799 -2.235 1.686
203 HE1 MET 24 1HE MET 24 3.706 -1.951 5.790
204 HE2 MET 24 2HE MET 24 2.406 -3.134 6.072
205 HE3 MET 24 3HE MET 24 3.736 -3.523 4.955
206 H PHE 25 H PHE 25 3.833 -5.833 -0.535
207 HA PHE 25 HA PHE 25 2.488 -8.387 -0.026
208 HB2 PHE 25 1HB PHE 25 4.375 -7.369 -2.235
209 HB3 PHE 25 2HB PHE 25 3.724 -8.994 -2.191
210 HD1 PHE 25 1HD PHE 25 2.966 -5.477 -2.829
211 HD2 PHE 25 2HD PHE 25 1.386 -9.414 -2.720
212 HE1 PHE 25 1HE PHE 25 0.950 -4.704 -4.110
213 HE2 PHE 25 2HE PHE 25 -0.630 -8.640 -4.000
214 HZ PHE 25 HZ PHE 25 -0.823 -6.295 -4.680
215 H MET 26 H MET 26 3.707 -10.233 0.569
216 HA MET 26 HA MET 26 6.149 -9.555 1.900
217 HB2 MET 26 1HB MET 26 4.039 -11.405 2.275
218 HB3 MET 26 2HB MET 26 5.385 -12.419 1.795
219 HG2 MET 26 1HG MET 26 6.800 -11.260 3.577
220 HG3 MET 26 2HG MET 26 5.354 -10.427 4.114
221 HE1 MET 26 1HE MET 26 6.825 -12.901 6.386
222 HE2 MET 26 2HE MET 26 6.218 -11.243 6.162
223 HE3 MET 26 3HE MET 26 5.201 -12.463 6.965
224 H MET 27 H MET 27 8.235 -10.195 1.331
225 HA MET 27 HA MET 27 9.875 -10.906 0.094
226 HB2 MET 27 1HB MET 27 7.759 -12.996 -0.583
227 HB3 MET 27 2HB MET 27 9.317 -13.055 -1.383
228 HG2 MET 27 1HG MET 27 8.992 -12.988 1.655
229 HG3 MET 27 2HG MET 27 9.149 -14.470 0.735
230 HE1 MET 27 1HE MET 27 12.721 -14.910 0.056
231 HE2 MET 27 2HE MET 27 11.086 -15.565 0.317
232 HE3 MET 27 3HE MET 27 11.448 -14.636 -1.158
233 H SER 28 H SER 28 7.146 -11.715 -2.170
234 HA SER 28 HA SER 28 8.267 -9.695 -3.951
235 HB2 SER 28 1HB SER 28 7.316 -12.511 -4.558
236 HB3 SER 28 2HB SER 28 7.325 -11.286 -5.810
237 HG SER 28 HG SER 28 9.471 -12.640 -4.605
238 H ASP 29 H ASP 29 6.595 -8.892 -5.608
239 HA ASP 29 HA ASP 29 4.144 -8.470 -4.176
240 HB2 ASP 29 1HB ASP 29 3.801 -7.063 -6.468
241 HB3 ASP 29 2HB ASP 29 4.699 -6.437 -5.100
242 HD2 ASP 29 HD ASP 29 5.840 -5.223 -6.273
243 H LEU 30 H LEU 30 5.465 -10.078 -7.087
244 HA LEU 30 HA LEU 30 3.321 -10.477 -8.659
245 HB2 LEU 30 1HB LEU 30 5.488 -12.433 -7.889
246 HB3 LEU 30 2HB LEU 30 4.359 -12.697 -9.203
247 HG LEU 30 HG LEU 30 5.994 -10.179 -9.167
248 HD11 LEU 30 1HD1 LEU 30 7.481 -11.873 -10.746
249 HD12 LEU 30 2HD1 LEU 30 7.899 -11.345 -9.098
250 HD13 LEU 30 3HD1 LEU 30 7.068 -12.899 -9.351
251 HD21 LEU 30 1HD2 LEU 30 5.783 -10.333 -11.571
252 HD22 LEU 30 2HD2 LEU 30 5.010 -11.930 -11.436
253 HD23 LEU 30 3HD2 LEU 30 4.178 -10.483 -10.817
254 H THR 31 H THR 31 4.154 -12.397 -5.698
255 HA THR 31 HA THR 31 1.798 -13.982 -5.885
256 HB THR 31 HB THR 31 2.588 -14.794 -3.675
257 HG1 THR 31 1HG THR 31 4.188 -13.506 -2.615
258 HG21 THR 31 1HG2 THR 31 5.195 -14.141 -5.053
259 HG22 THR 31 2HG2 THR 31 4.652 -15.681 -4.345
260 HG23 THR 31 3HG2 THR 31 4.028 -15.160 -5.929
261 H ILE 32 H ILE 32 0.327 -14.082 -3.791
262 HA ILE 32 HA ILE 32 -1.213 -11.754 -3.884
263 HB ILE 32 HB ILE 32 -1.311 -14.379 -2.695
264 HG12 ILE 32 1HG1 ILE 32 -3.875 -13.450 -2.781
265 HG13 ILE 32 2HG1 ILE 32 -3.106 -12.381 -3.938
266 HG21 ILE 32 1HG2 ILE 32 -2.109 -12.051 -0.954
267 HG22 ILE 32 2HG2 ILE 32 -2.910 -13.635 -0.829
268 HG23 ILE 32 3HG2 ILE 32 -1.160 -13.497 -0.535
269 HD11 ILE 32 1HD1 ILE 32 -2.171 -15.130 -4.305
270 HD12 ILE 32 2HD1 ILE 32 -3.946 -15.033 -4.398
271 HD13 ILE 32 3HD1 ILE 32 -2.944 -14.037 -5.478
272 HA PRO 33 HA PRO 33 0.656 -9.269 -0.892
273 HB2 PRO 33 1HB PRO 33 -1.425 -7.663 -0.147
274 HB3 PRO 33 2HB PRO 33 -0.497 -7.410 -1.610
275 HG2 PRO 33 1HG PRO 33 -3.221 -8.518 -1.312
276 HG3 PRO 33 2HG PRO 33 -2.451 -7.868 -2.747
277 HD2 PRO 33 1HD PRO 33 -2.866 -10.638 -2.128
278 HD3 PRO 33 2HD PRO 33 -1.995 -9.991 -3.503
279 H VAL 34 H VAL 34 0.373 -8.304 1.433
280 HA VAL 34 HA VAL 34 -0.688 -10.553 3.001
281 HB VAL 34 HB VAL 34 1.024 -9.639 4.709
282 HG11 VAL 34 1HG1 VAL 34 1.124 -11.831 3.507
283 HG12 VAL 34 2HG1 VAL 34 2.074 -11.037 2.228
284 HG13 VAL 34 3HG1 VAL 34 2.721 -11.141 3.884
285 HG21 VAL 34 1HG2 VAL 34 2.967 -8.524 3.815
286 HG22 VAL 34 2HG2 VAL 34 2.307 -8.597 2.163
287 HG23 VAL 34 3HG2 VAL 34 1.525 -7.571 3.390
288 H LYS 35 H LYS 35 -0.249 -6.988 2.728
289 HA LYS 35 HA LYS 35 -2.728 -6.659 4.177
290 HB2 LYS 35 1HB LYS 35 -0.064 -5.957 5.309
291 HB3 LYS 35 2HB LYS 35 -1.341 -4.772 5.502
292 HG2 LYS 35 1HG LYS 35 -2.421 -6.039 7.056
293 HG3 LYS 35 2HG LYS 35 -2.330 -7.478 6.059
294 HD2 LYS 35 1HD LYS 35 -0.417 -8.243 7.088
295 HD3 LYS 35 2HD LYS 35 0.274 -6.639 7.238
296 HE2 LYS 35 1HE LYS 35 -2.145 -7.291 8.921
297 HE3 LYS 35 2HE LYS 35 -0.611 -8.000 9.384
298 HZ1 LYS 35 1HZ LYS 35 -0.891 -5.851 10.447
299 HZ2 LYS 35 2HZ LYS 35 0.341 -5.732 9.389
300 HZ3 LYS 35 3HZ LYS 35 -1.134 -5.143 8.992
301 H ARG 36 H ARG 36 -3.428 -4.285 4.083
302 HA ARG 36 HA ARG 36 -2.098 -2.650 2.228
303 HB2 ARG 36 1HB ARG 36 -3.997 -2.610 0.526
304 HB3 ARG 36 2HB ARG 36 -3.059 -4.091 0.525
305 HG2 ARG 36 1HG ARG 36 -4.890 -4.913 2.279
306 HG3 ARG 36 2HG ARG 36 -5.855 -3.622 1.590
307 HD2 ARG 36 1HD ARG 36 -6.278 -4.831 -0.291
308 HD3 ARG 36 2HD ARG 36 -4.574 -5.151 -0.547
309 HE ARG 36 HE ARG 36 -6.495 -6.961 0.638
310 HH11 ARG 36 1HH ARG 36 -4.176 -9.280 1.781
311 HH12 ARG 36 2HH1 ARG 36 -5.800 -8.949 1.427
312 HH21 ARG 36 1HH2 ARG 36 -2.561 -7.547 1.421
313 HH22 ARG 36 2HH2 ARG 36 -3.085 -6.011 0.815
314 H GLY 37 H GLY 37 -3.195 -0.510 2.036
315 HA2 GLY 37 1HA GLY 37 -5.645 -0.072 3.492
316 HA3 GLY 37 2HA GLY 37 -4.219 0.511 4.328
317 H CYS 38 H CYS 38 -5.571 2.608 3.911
318 HA CYS 38 HA CYS 38 -5.131 3.597 1.211
319 HB2 CYS 38 1HB CYS 38 -6.589 5.095 3.387
320 HB3 CYS 38 2HB CYS 38 -6.741 5.258 1.649
321 H ILE 39 H ILE 39 -4.211 5.881 1.035
322 HA ILE 39 HA ILE 39 -2.802 6.958 3.243
323 HB ILE 39 HB ILE 39 -1.428 4.927 2.630
324 HG12 ILE 39 1HG1 ILE 39 0.231 7.398 2.287
325 HG13 ILE 39 2HG1 ILE 39 -0.714 7.218 3.751
326 HG21 ILE 39 1HG2 ILE 39 0.164 5.888 0.587
327 HG22 ILE 39 2HG2 ILE 39 -1.060 4.601 0.455
328 HG23 ILE 39 3HG2 ILE 39 -1.484 6.278 0.039
329 HD11 ILE 39 1HD1 ILE 39 0.359 5.093 4.279
330 HD12 ILE 39 2HD1 ILE 39 1.184 5.073 2.702
331 HD13 ILE 39 3HD1 ILE 39 1.630 6.288 3.924
332 H ASP 40 H ASP 40 -1.546 8.938 2.552
333 HA ASP 40 HA ASP 40 -2.985 10.104 0.338
334 HB2 ASP 40 1HB ASP 40 -3.031 11.450 2.323
335 HB3 ASP 40 2HB ASP 40 -1.325 11.199 2.634
336 HD2 ASP 40 HD ASP 40 -1.846 13.019 -0.706
337 H VAL 41 H VAL 41 0.265 9.161 1.492
338 HA VAL 41 HA VAL 41 1.313 9.769 -1.170
339 HB VAL 41 HB VAL 41 2.605 10.491 1.468
340 HG11 VAL 41 1HG1 VAL 41 3.827 11.313 -1.117
341 HG12 VAL 41 2HG1 VAL 41 4.591 10.868 0.427
342 HG13 VAL 41 3HG1 VAL 41 3.986 9.599 -0.664
343 HG21 VAL 41 1HG2 VAL 41 2.577 12.775 -0.002
344 HG22 VAL 41 2HG2 VAL 41 1.071 12.010 -0.562
345 HG23 VAL 41 3HG2 VAL 41 1.316 12.328 1.173
346 H CYS 42 H CYS 42 2.777 8.233 -1.955
347 HA CYS 42 HA CYS 42 2.578 5.689 -0.820
348 HB2 CYS 42 1HB CYS 42 3.024 6.356 -3.271
349 HB3 CYS 42 2HB CYS 42 4.707 6.512 -2.804
350 HA PRO 43 HA PRO 43 5.805 6.183 2.113
351 HB2 PRO 43 1HB PRO 43 5.739 3.670 3.183
352 HB3 PRO 43 2HB PRO 43 4.666 4.958 3.695
353 HG2 PRO 43 1HG PRO 43 4.068 2.612 1.996
354 HG3 PRO 43 2HG PRO 43 2.955 3.656 2.857
355 HD2 PRO 43 1HD PRO 43 3.506 3.684 0.042
356 HD3 PRO 43 2HD PRO 43 2.482 4.802 0.920
357 H LYS 44 H LYS 44 7.796 4.733 2.943
358 HA LYS 44 HA LYS 44 9.352 4.505 0.559
359 HB2 LYS 44 1HB LYS 44 10.038 3.898 3.451
360 HB3 LYS 44 2HB LYS 44 11.183 3.981 2.127
361 HG2 LYS 44 1HG LYS 44 10.498 6.364 1.707
362 HG3 LYS 44 2HG LYS 44 9.393 6.274 3.064
363 HD2 LYS 44 1HD LYS 44 12.373 5.693 3.351
364 HD3 LYS 44 2HD LYS 44 11.715 7.308 3.528
365 HE2 LYS 44 1HE LYS 44 10.317 6.617 5.408
366 HE3 LYS 44 2HE LYS 44 10.694 4.926 5.142
367 HZ1 LYS 44 1HZ LYS 44 13.150 6.059 5.430
368 HZ2 LYS 44 2HZ LYS 44 12.267 6.923 6.491
369 HZ3 LYS 44 3HZ LYS 44 12.291 5.290 6.590
370 H ASN 45 H ASN 45 9.856 2.704 -0.608
371 HA ASN 45 HA ASN 45 8.379 0.373 -0.038
372 HB2 ASN 45 1HB ASN 45 9.270 1.395 -2.340
373 HB3 ASN 45 2HB ASN 45 10.706 0.453 -1.992
374 HD21 ASN 45 1HD2 ASN 45 10.055 -1.835 -1.048
375 HD22 ASN 45 2HD2 ASN 45 8.955 -2.739 -2.032
376 H SER 46 H SER 46 9.087 -1.453 1.110
377 HA SER 46 HA SER 46 11.779 -1.325 2.139
378 HB2 SER 46 1HB SER 46 11.052 -2.916 3.797
379 HB3 SER 46 2HB SER 46 9.780 -1.721 3.641
380 HG SER 46 HG SER 46 9.304 -3.708 1.834
381 H LEU 47 H LEU 47 13.018 -3.496 2.288
382 HA LEU 47 HA LEU 47 12.949 -4.693 -0.346
383 HB2 LEU 47 1HB LEU 47 15.111 -4.307 0.079
384 HB3 LEU 47 2HB LEU 47 14.899 -4.328 1.818
385 HG LEU 47 HG LEU 47 14.702 -6.889 1.588
386 HD11 LEU 47 1HD1 LEU 47 14.412 -6.798 -0.910
387 HD12 LEU 47 2HD1 LEU 47 16.138 -6.379 -1.025
388 HD13 LEU 47 3HD1 LEU 47 15.646 -7.939 -0.325
389 HD21 LEU 47 1HD2 LEU 47 17.386 -6.838 1.110
390 HD22 LEU 47 2HD2 LEU 47 17.073 -5.143 1.556
391 HD23 LEU 47 3HD2 LEU 47 16.618 -6.455 2.670
392 H LEU 48 H LEU 48 12.064 -5.396 3.007
393 HA LEU 48 HA LEU 48 11.896 -8.214 2.607
394 HB2 LEU 48 1HB LEU 48 12.153 -6.673 4.769
395 HB3 LEU 48 2HB LEU 48 10.409 -6.834 4.782
396 HG LEU 48 HG LEU 48 11.409 -8.499 6.218
397 HD11 LEU 48 1HD1 LEU 48 10.489 -10.585 5.158
398 HD12 LEU 48 2HD1 LEU 48 9.374 -9.199 5.202
399 HD13 LEU 48 3HD1 LEU 48 10.201 -9.629 3.685
400 HD21 LEU 48 1HD2 LEU 48 12.762 -9.856 3.908
401 HD22 LEU 48 2HD2 LEU 48 13.577 -8.526 4.767
402 HD23 LEU 48 3HD2 LEU 48 13.081 -9.987 5.655
403 H VAL 49 H VAL 49 9.517 -5.484 2.795
404 HA VAL 49 HA VAL 49 7.602 -7.286 1.481
405 HB VAL 49 HB VAL 49 6.822 -4.849 3.046
406 HG11 VAL 49 1HG1 VAL 49 5.445 -7.511 2.544
407 HG12 VAL 49 2HG1 VAL 49 4.751 -6.106 3.390
408 HG13 VAL 49 3HG1 VAL 49 5.140 -5.998 1.657
409 HG21 VAL 49 1HG2 VAL 49 8.063 -7.276 4.135
410 HG22 VAL 49 2HG2 VAL 49 7.752 -5.702 4.904
411 HG23 VAL 49 3HG2 VAL 49 6.462 -6.927 4.831
412 H LYS 50 H LYS 50 6.651 -6.612 -0.430
413 HA LYS 50 HA LYS 50 7.908 -4.325 -1.665
414 HB2 LYS 50 1HB LYS 50 6.146 -6.572 -2.640
415 HB3 LYS 50 2HB LYS 50 6.481 -5.178 -3.645
416 HG2 LYS 50 1HG LYS 50 8.808 -6.556 -2.302
417 HG3 LYS 50 2HG LYS 50 8.069 -7.340 -3.684
418 HD2 LYS 50 1HD LYS 50 8.902 -5.803 -5.167
419 HD3 LYS 50 2HD LYS 50 8.542 -4.448 -4.116
420 HE2 LYS 50 1HE LYS 50 10.742 -4.317 -3.582
421 HE3 LYS 50 2HE LYS 50 10.623 -5.880 -2.802
422 HZ1 LYS 50 1HZ LYS 50 12.302 -5.893 -4.564
423 HZ2 LYS 50 2HZ LYS 50 11.107 -6.930 -4.951
424 HZ3 LYS 50 3HZ LYS 50 11.162 -5.451 -5.651
425 H TYR 51 H TYR 51 6.965 -2.359 -2.078
426 HA TYR 51 HA TYR 51 4.269 -2.024 -0.970
427 HB2 TYR 51 1HB TYR 51 6.767 -0.329 -1.471
428 HB3 TYR 51 2HB TYR 51 5.224 0.480 -1.281
429 HD1 TYR 51 1HD TYR 51 5.831 -2.604 0.598
430 HD2 TYR 51 2HD TYR 51 6.094 1.665 0.704
431 HE1 TYR 51 1HE TYR 51 6.105 -2.676 3.125
432 HE2 TYR 51 2HE TYR 51 6.367 1.578 3.230
433 HH TYR 51 HH TYR 51 6.575 0.324 4.973
434 H VAL 52 H VAL 52 2.572 -1.522 -2.281
435 HA VAL 52 HA VAL 52 3.222 -0.510 -4.955
436 HB VAL 52 HB VAL 52 0.991 -2.464 -4.496
437 HG11 VAL 52 1HG1 VAL 52 2.662 -2.260 -6.980
438 HG12 VAL 52 2HG1 VAL 52 0.941 -2.676 -6.791
439 HG13 VAL 52 3HG1 VAL 52 1.471 -0.985 -6.631
440 HG21 VAL 52 1HG2 VAL 52 3.910 -3.141 -4.962
441 HG22 VAL 52 2HG2 VAL 52 2.863 -3.674 -3.625
442 HG23 VAL 52 3HG2 VAL 52 2.571 -4.270 -5.278
443 H CYS 53 H CYS 53 2.301 1.451 -5.223
444 HA CYS 53 HA CYS 53 -0.073 2.007 -3.606
445 HB2 CYS 53 1HB CYS 53 1.984 3.899 -4.792
446 HB3 CYS 53 2HB CYS 53 0.510 4.418 -3.998
447 H CYS 54 H CYS 54 -1.814 3.278 -4.705
448 HA CYS 54 HA CYS 54 -1.675 3.446 -7.566
449 HB2 CYS 54 1HB CYS 54 -3.997 2.118 -7.571
450 HB3 CYS 54 2HB CYS 54 -2.456 1.327 -7.839
451 H ASN 55 H ASN 55 -3.902 4.408 -8.358
452 HA ASN 55 HA ASN 55 -5.073 5.946 -6.182
453 HB2 ASN 55 1HB ASN 55 -5.217 7.900 -7.809
454 HB3 ASN 55 2HB ASN 55 -3.579 7.490 -7.343
455 HD21 ASN 55 1HD2 ASN 55 -2.199 6.461 -8.777
456 HD22 ASN 55 2HD2 ASN 55 -2.481 6.404 -10.486
457 H THR 56 H THR 56 -5.868 3.443 -7.683
458 HA THR 56 HA THR 56 -8.282 4.478 -9.023
459 HB THR 56 HB THR 56 -8.108 2.187 -10.239
460 HG1 THR 56 1HG THR 56 -5.943 1.283 -10.029
461 HG21 THR 56 1HG2 THR 56 -6.729 3.063 -11.930
462 HG22 THR 56 2HG2 THR 56 -7.150 4.559 -11.063
463 HG23 THR 56 3HG2 THR 56 -5.583 3.767 -10.764
464 H ASP 57 H ASP 57 -10.278 3.621 -8.493
465 HA ASP 57 HA ASP 57 -10.515 2.724 -5.894
466 HB2 ASP 57 1HB ASP 57 -12.521 2.340 -8.161
467 HB3 ASP 57 2HB ASP 57 -12.892 2.375 -6.449
468 HD2 ASP 57 HD ASP 57 -11.271 4.533 -5.875
469 H ARG 58 H ARG 58 -10.490 0.619 -5.027
470 HA ARG 58 HA ARG 58 -10.391 -1.535 -4.890
471 HB2 ARG 58 1HB ARG 58 -11.389 -1.965 -7.722
472 HB3 ARG 58 2HB ARG 58 -11.723 -2.921 -6.291
473 HG2 ARG 58 1HG ARG 58 -12.965 -0.856 -5.360
474 HG3 ARG 58 2HG ARG 58 -12.825 -0.158 -6.961
475 HD2 ARG 58 1HD ARG 58 -15.012 -1.347 -6.618
476 HD3 ARG 58 2HD ARG 58 -14.093 -2.010 -7.955
477 HE ARG 58 HE ARG 58 -13.640 -3.323 -5.348
478 HH11 ARG 58 1HH ARG 58 -15.113 -6.296 -6.376
479 HH12 ARG 58 2HH1 ARG 58 -14.194 -5.498 -5.196
480 HH21 ARG 58 1HH2 ARG 58 -15.850 -5.041 -8.280
481 HH22 ARG 58 2HH2 ARG 58 -15.429 -3.366 -8.406
482 H CYS 59 H CYS 59 -8.128 -0.011 -5.914
483 HA CYS 59 HA CYS 59 -6.986 -1.436 -8.090
484 HB2 CYS 59 1HB CYS 59 -5.101 -0.015 -7.832
485 HB3 CYS 59 2HB CYS 59 -6.512 0.976 -7.513
486 H ASN 60 H ASN 60 -6.983 -1.581 -4.523
487 HA ASN 60 HA ASN 60 -4.903 -3.582 -4.596
488 HB2 ASN 60 1HB ASN 60 -4.916 -3.381 -2.135
489 HB3 ASN 60 2HB ASN 60 -4.852 -1.778 -2.841
490 HD21 ASN 60 1HD2 ASN 60 -5.640 -1.972 -0.312
491 HD22 ASN 60 2HD2 ASN 60 -7.338 -1.689 -0.121
492 H1 HOH 101 1H HOH 61 3.575 -12.195 -1.449
493 H2 HOH 101 2H HOH 61 2.515 -12.447 -0.399
Start of MODEL 2
1 H1 LEU 1 H LEU 1 -10.057 9.096 -2.894
2 HA LEU 1 HA LEU 1 -11.156 7.223 -4.301
3 HB2 LEU 1 1HB LEU 1 -8.544 7.794 -3.476
4 HB3 LEU 1 2HB LEU 1 -8.732 6.072 -3.208
5 HG LEU 1 HG LEU 1 -7.797 6.802 -5.454
6 HD11 LEU 1 1HD1 LEU 1 -8.515 4.870 -6.414
7 HD12 LEU 1 2HD1 LEU 1 -9.084 4.576 -4.753
8 HD13 LEU 1 3HD1 LEU 1 -10.221 5.156 -5.994
9 HD21 LEU 1 1HD2 LEU 1 -10.500 7.183 -6.556
10 HD22 LEU 1 2HD2 LEU 1 -9.920 8.514 -5.526
11 HD23 LEU 1 3HD2 LEU 1 -8.968 8.003 -6.941
12 H LYS 2 H LYS 2 -11.124 4.728 -4.158
13 HA LYS 2 HA LYS 2 -12.119 3.983 -1.496
14 HB2 LYS 2 1HB LYS 2 -13.089 3.170 -4.246
15 HB3 LYS 2 2HB LYS 2 -13.532 2.312 -2.786
16 HG2 LYS 2 1HG LYS 2 -14.623 4.257 -1.849
17 HG3 LYS 2 2HG LYS 2 -13.918 5.322 -3.049
18 HD2 LYS 2 1HD LYS 2 -15.993 5.053 -4.033
19 HD3 LYS 2 2HD LYS 2 -15.200 3.663 -4.747
20 HE2 LYS 2 1HE LYS 2 -16.100 2.194 -2.956
21 HE3 LYS 2 2HE LYS 2 -16.834 3.575 -2.165
22 HZ1 LYS 2 1HZ LYS 2 -17.622 3.459 -4.899
23 HZ2 LYS 2 2HZ LYS 2 -17.976 2.052 -4.160
24 HZ3 LYS 2 3HZ LYS 2 -18.521 3.461 -3.531
25 H CYS 3 H CYS 3 -10.898 2.512 -0.447
26 HA CYS 3 HA CYS 3 -9.109 0.899 -2.111
27 HB2 CYS 3 1HB CYS 3 -8.671 1.442 0.826
28 HB3 CYS 3 2HB CYS 3 -7.516 0.889 -0.370
29 H ASN 4 H ASN 4 -9.001 -1.385 -1.652
30 HA ASN 4 HA ASN 4 -11.379 -2.321 -0.315
31 HB2 ASN 4 1HB ASN 4 -9.278 -3.951 -1.832
32 HB3 ASN 4 2HB ASN 4 -10.901 -4.467 -1.417
33 HD21 ASN 4 1HD2 ASN 4 -10.448 -4.802 -3.896
34 HD22 ASN 4 2HD2 ASN 4 -11.112 -3.586 -4.935
35 H LYS 5 H LYS 5 -11.039 -4.449 1.051
36 HA LYS 5 HA LYS 5 -8.904 -3.915 2.922
37 HB2 LYS 5 1HB LYS 5 -11.019 -6.074 3.071
38 HB3 LYS 5 2HB LYS 5 -10.056 -5.419 4.380
39 HG2 LYS 5 1HG LYS 5 -11.505 -3.697 4.692
40 HG3 LYS 5 2HG LYS 5 -11.441 -3.255 2.997
41 HD2 LYS 5 1HD LYS 5 -13.063 -5.184 2.530
42 HD3 LYS 5 2HD LYS 5 -13.231 -5.378 4.265
43 HE2 LYS 5 1HE LYS 5 -13.586 -2.594 3.786
44 HE3 LYS 5 2HE LYS 5 -14.473 -3.398 2.506
45 HZ1 LYS 5 1HZ LYS 5 -15.900 -3.189 4.414
46 HZ2 LYS 5 2HZ LYS 5 -15.545 -4.773 4.278
47 HZ3 LYS 5 3HZ LYS 5 -14.763 -3.855 5.384
48 H LEU 6 H LEU 6 -8.742 -6.789 3.745
49 HA LEU 6 HA LEU 6 -6.457 -7.471 2.361
50 HB2 LEU 6 1HB LEU 6 -6.833 -8.353 4.507
51 HB3 LEU 6 2HB LEU 6 -8.385 -9.033 4.059
52 HG LEU 6 HG LEU 6 -6.768 -10.386 2.346
53 HD11 LEU 6 1HD1 LEU 6 -4.644 -10.689 3.026
54 HD12 LEU 6 2HD1 LEU 6 -4.882 -9.112 3.816
55 HD13 LEU 6 3HD1 LEU 6 -5.068 -10.615 4.753
56 HD21 LEU 6 1HD2 LEU 6 -8.286 -10.924 4.680
57 HD22 LEU 6 2HD2 LEU 6 -7.789 -12.050 3.394
58 HD23 LEU 6 3HD2 LEU 6 -6.755 -11.819 4.824
59 H VAL 7 H VAL 7 -9.889 -8.433 1.817
60 HA VAL 7 HA VAL 7 -9.016 -9.819 -0.608
61 HB VAL 7 HB VAL 7 -11.482 -9.929 1.116
62 HG11 VAL 7 1HG1 VAL 7 -11.164 -11.302 -1.572
63 HG12 VAL 7 2HG1 VAL 7 -12.572 -11.359 -0.485
64 HG13 VAL 7 3HG1 VAL 7 -12.140 -9.837 -1.301
65 HG21 VAL 7 1HG2 VAL 7 -9.403 -11.290 1.642
66 HG22 VAL 7 2HG2 VAL 7 -10.910 -12.215 1.442
67 HG23 VAL 7 3HG2 VAL 7 -9.708 -12.178 0.131
68 HA PRO 8 HA PRO 8 -10.520 -6.467 -2.911
69 HB2 PRO 8 1HB PRO 8 -10.397 -7.572 -5.408
70 HB3 PRO 8 2HB PRO 8 -9.009 -6.870 -4.601
71 HG2 PRO 8 1HG PRO 8 -9.662 -9.722 -5.020
72 HG3 PRO 8 2HG PRO 8 -8.120 -8.997 -4.612
73 HD2 PRO 8 1HD PRO 8 -9.885 -10.392 -2.832
74 HD3 PRO 8 2HD PRO 8 -8.399 -9.568 -2.402
75 H ILE 9 H ILE 9 -12.489 -7.695 -1.486
76 HA ILE 9 HA ILE 9 -14.574 -7.843 -3.551
77 HB ILE 9 HB ILE 9 -13.926 -9.995 -2.320
78 HG12 ILE 9 1HG1 ILE 9 -16.055 -9.432 -3.663
79 HG13 ILE 9 2HG1 ILE 9 -16.072 -10.830 -2.607
80 HG21 ILE 9 1HG2 ILE 9 -13.738 -9.116 -0.074
81 HG22 ILE 9 2HG2 ILE 9 -15.436 -8.584 -0.104
82 HG23 ILE 9 3HG2 ILE 9 -15.047 -10.321 -0.141
83 HD11 ILE 9 1HD1 ILE 9 -18.132 -9.454 -2.350
84 HD12 ILE 9 2HD1 ILE 9 -17.201 -9.523 -0.834
85 HD13 ILE 9 3HD1 ILE 9 -17.133 -8.066 -1.853
86 H ALA 10 H ALA 10 -13.761 -6.998 -0.128
87 HA ALA 10 HA ALA 10 -16.037 -5.150 -0.173
88 HB1 ALA 10 1HB ALA 10 -14.523 -6.619 1.988
89 HB2 ALA 10 2HB ALA 10 -15.434 -5.140 2.377
90 HB3 ALA 10 3HB ALA 10 -16.276 -6.548 1.689
91 H TYR 11 H TYR 11 -15.689 -2.970 -0.218
92 HA TYR 11 HA TYR 11 -13.174 -1.913 0.719
93 HB2 TYR 11 1HB TYR 11 -12.742 -0.868 -1.540
94 HB3 TYR 11 2HB TYR 11 -12.743 -2.616 -1.664
95 HD1 TYR 11 1HD TYR 11 -14.806 -3.788 -2.566
96 HD2 TYR 11 2HD TYR 11 -14.296 0.456 -2.764
97 HE1 TYR 11 1HE TYR 11 -16.586 -3.651 -4.377
98 HE2 TYR 11 2HE TYR 11 -16.078 0.577 -4.574
99 HH TYR 11 HH TYR 11 -17.224 -2.207 -6.165
100 H LYS 12 H LYS 12 -13.215 0.440 0.918
101 HA LYS 12 HA LYS 12 -15.793 1.676 0.388
102 HB2 LYS 12 1HB LYS 12 -14.729 1.031 3.089
103 HB3 LYS 12 2HB LYS 12 -15.392 2.638 2.882
104 HG2 LYS 12 1HG LYS 12 -17.411 1.393 1.714
105 HG3 LYS 12 2HG LYS 12 -16.783 -0.034 2.513
106 HD2 LYS 12 1HD LYS 12 -17.384 2.556 4.009
107 HD3 LYS 12 2HD LYS 12 -18.576 1.289 3.800
108 HE2 LYS 12 1HE LYS 12 -17.003 -0.341 4.907
109 HE3 LYS 12 2HE LYS 12 -15.858 0.962 5.160
110 HZ1 LYS 12 1HZ LYS 12 -18.192 1.947 6.186
111 HZ2 LYS 12 2HZ LYS 12 -18.250 0.382 6.631
112 HZ3 LYS 12 3HZ LYS 12 -16.947 1.291 7.021
113 H THR 13 H THR 13 -15.486 4.153 1.320
114 HA THR 13 HA THR 13 -13.191 5.090 -0.184
115 HB THR 13 HB THR 13 -15.811 6.154 0.839
116 HG1 THR 13 1HG THR 13 -15.705 6.887 -1.388
117 HG21 THR 13 1HG2 THR 13 -14.670 8.448 -0.096
118 HG22 THR 13 2HG2 THR 13 -14.744 8.063 1.641
119 HG23 THR 13 3HG2 THR 13 -13.257 7.737 0.719
120 H CYS 14 H CYS 14 -11.485 6.333 0.592
121 HA CYS 14 HA CYS 14 -11.252 6.265 3.514
122 HB2 CYS 14 1HB CYS 14 -9.224 5.695 1.361
123 HB3 CYS 14 2HB CYS 14 -8.697 6.315 2.913
124 HA PRO 15 HA PRO 15 -11.208 10.586 2.165
125 HB2 PRO 15 1HB PRO 15 -12.880 11.564 4.094
126 HB3 PRO 15 2HB PRO 15 -13.437 11.046 2.516
127 HG2 PRO 15 1HG PRO 15 -13.699 9.671 5.120
128 HG3 PRO 15 2HG PRO 15 -14.596 9.397 3.638
129 HD2 PRO 15 1HD PRO 15 -12.471 7.778 4.682
130 HD3 PRO 15 2HD PRO 15 -13.286 7.572 3.146
131 H GLU 16 H GLU 16 -11.048 9.379 5.461
132 HA GLU 16 HA GLU 16 -9.897 11.388 6.727
133 HB2 GLU 16 1HB GLU 16 -9.167 8.436 6.812
134 HB3 GLU 16 2HB GLU 16 -8.500 9.591 7.951
135 HG2 GLU 16 1HG GLU 16 -11.501 9.268 7.499
136 HG3 GLU 16 2HG GLU 16 -10.623 8.353 8.710
137 HE2 GLU 16 HE GLU 16 -10.547 11.007 10.915
138 H GLY 17 H GLY 17 -8.594 12.824 5.543
139 HA2 GLY 17 1HA GLY 17 -6.861 13.427 4.145
140 HA3 GLY 17 2HA GLY 17 -5.992 12.883 5.566
141 H LYS 18 H LYS 18 -7.813 11.005 3.047
142 HA LYS 18 HA LYS 18 -5.280 9.866 2.164
143 HB2 LYS 18 1HB LYS 18 -7.576 8.290 3.344
144 HB3 LYS 18 2HB LYS 18 -6.401 7.567 2.265
145 HG2 LYS 18 1HG LYS 18 -4.613 7.864 3.783
146 HG3 LYS 18 2HG LYS 18 -5.411 9.174 4.630
147 HD2 LYS 18 1HD LYS 18 -7.211 7.236 5.174
148 HD3 LYS 18 2HD LYS 18 -5.821 6.202 4.908
149 HE2 LYS 18 1HE LYS 18 -4.724 8.174 6.518
150 HE3 LYS 18 2HE LYS 18 -6.364 8.107 7.131
151 HZ1 LYS 18 1HZ LYS 18 -4.846 5.606 6.723
152 HZ2 LYS 18 2HZ LYS 18 -4.644 6.469 8.090
153 HZ3 LYS 18 3HZ LYS 18 -6.131 5.915 7.689
154 H ASN 19 H ASN 19 -5.242 9.405 -0.026
155 HA ASN 19 HA ASN 19 -7.782 9.447 -1.399
156 HB2 ASN 19 1HB ASN 19 -6.488 11.804 -1.301
157 HB3 ASN 19 2HB ASN 19 -5.509 11.084 -2.563
158 HD21 ASN 19 1HD2 ASN 19 -6.459 12.959 -3.714
159 HD22 ASN 19 2HD2 ASN 19 -7.957 12.745 -4.559
160 H LEU 20 H LEU 20 -5.286 7.669 -0.649
161 HA LEU 20 HA LEU 20 -5.037 6.503 -3.291
162 HB2 LEU 20 1HB LEU 20 -2.646 7.390 -1.670
163 HB3 LEU 20 2HB LEU 20 -2.575 6.331 -3.065
164 HG LEU 20 HG LEU 20 -3.684 9.145 -3.178
165 HD11 LEU 20 1HD1 LEU 20 -1.131 8.888 -4.470
166 HD12 LEU 20 2HD1 LEU 20 -1.640 10.002 -3.179
167 HD13 LEU 20 3HD1 LEU 20 -0.992 8.396 -2.766
168 HD21 LEU 20 1HD2 LEU 20 -2.888 8.663 -5.670
169 HD22 LEU 20 2HD2 LEU 20 -3.196 6.982 -5.172
170 HD23 LEU 20 3HD2 LEU 20 -4.498 8.191 -5.078
171 H CYS 21 H CYS 21 -4.169 4.261 -3.175
172 HA CYS 21 HA CYS 21 -4.593 3.159 -0.492
173 HB2 CYS 21 1HB CYS 21 -5.240 1.618 -3.002
174 HB3 CYS 21 2HB CYS 21 -5.769 1.317 -1.359
175 H TYR 22 H TYR 22 -3.282 1.195 -0.040
176 HA TYR 22 HA TYR 22 -1.124 0.683 -1.927
177 HB2 TYR 22 1HB TYR 22 0.548 1.236 -0.244
178 HB3 TYR 22 2HB TYR 22 -0.590 2.567 -0.178
179 HD1 TYR 22 1HD TYR 22 -1.522 3.188 1.874
180 HD2 TYR 22 2HD TYR 22 0.116 -0.740 1.437
181 HE1 TYR 22 1HE TYR 22 -1.865 2.761 4.356
182 HE2 TYR 22 2HE TYR 22 -0.232 -1.154 3.922
183 HH TYR 22 HH TYR 22 -0.689 1.199 6.092
184 H LYS 23 H LYS 23 -0.051 -1.358 -1.564
185 HA LYS 23 HA LYS 23 -1.231 -3.017 0.524
186 HB2 LYS 23 1HB LYS 23 -1.522 -4.864 -1.167
187 HB3 LYS 23 2HB LYS 23 -2.667 -3.543 -1.282
188 HG2 LYS 23 1HG LYS 23 -0.233 -3.077 -2.896
189 HG3 LYS 23 2HG LYS 23 -1.086 -4.531 -3.372
190 HD2 LYS 23 1HD LYS 23 -3.156 -2.668 -3.013
191 HD3 LYS 23 2HD LYS 23 -1.869 -1.704 -3.711
192 HE2 LYS 23 1HE LYS 23 -3.226 -2.647 -5.522
193 HE3 LYS 23 2HE LYS 23 -1.634 -3.378 -5.568
194 HZ1 LYS 23 1HZ LYS 23 -3.117 -5.176 -5.716
195 HZ2 LYS 23 2HZ LYS 23 -2.699 -5.211 -4.142
196 HZ3 LYS 23 3HZ LYS 23 -4.122 -4.539 -4.592
197 H MET 24 H MET 24 0.317 -4.141 1.593
198 HA MET 24 HA MET 24 2.961 -4.061 0.413
199 HB2 MET 24 1HB MET 24 1.792 -4.339 3.193
200 HB3 MET 24 2HB MET 24 3.374 -5.043 2.918
201 HG2 MET 24 1HG MET 24 4.278 -2.881 2.177
202 HG3 MET 24 2HG MET 24 2.686 -2.150 2.216
203 HE1 MET 24 1HE MET 24 1.767 -3.612 5.535
204 HE2 MET 24 2HE MET 24 1.631 -1.842 5.673
205 HE3 MET 24 3HE MET 24 1.186 -2.653 4.152
206 H PHE 25 H PHE 25 4.035 -5.880 -0.299
207 HA PHE 25 HA PHE 25 2.675 -8.433 0.208
208 HB2 PHE 25 1HB PHE 25 4.442 -7.427 -2.105
209 HB3 PHE 25 2HB PHE 25 3.772 -9.044 -2.021
210 HD1 PHE 25 1HD PHE 25 1.489 -9.469 -2.598
211 HD2 PHE 25 2HD PHE 25 2.941 -5.484 -2.454
212 HE1 PHE 25 1HE PHE 25 -0.581 -8.671 -3.772
213 HE2 PHE 25 2HE PHE 25 0.870 -4.687 -3.627
214 HZ PHE 25 HZ PHE 25 -0.865 -6.290 -4.272
215 H MET 26 H MET 26 3.966 -10.290 0.667
216 HA MET 26 HA MET 26 6.468 -9.575 1.879
217 HB2 MET 26 1HB MET 26 4.408 -11.395 2.449
218 HB3 MET 26 2HB MET 26 5.656 -12.444 1.807
219 HG2 MET 26 1HG MET 26 7.298 -11.339 3.436
220 HG3 MET 26 2HG MET 26 5.932 -10.510 4.155
221 HE1 MET 26 1HE MET 26 6.502 -13.066 6.872
222 HE2 MET 26 2HE MET 26 7.075 -11.540 6.157
223 HE3 MET 26 3HE MET 26 5.366 -11.719 6.621
224 H MET 27 H MET 27 8.490 -10.004 1.055
225 HA MET 27 HA MET 27 10.047 -10.647 -0.317
226 HB2 MET 27 1HB MET 27 8.124 -13.007 -0.604
227 HB3 MET 27 2HB MET 27 9.645 -12.984 -1.475
228 HG2 MET 27 1HG MET 27 10.648 -12.401 0.948
229 HG3 MET 27 2HG MET 27 9.167 -13.155 1.505
230 HE1 MET 27 1HE MET 27 9.012 -15.988 -0.910
231 HE2 MET 27 2HE MET 27 9.102 -16.546 0.777
232 HE3 MET 27 3HE MET 27 8.213 -15.056 0.380
233 H SER 28 H SER 28 7.243 -12.017 -2.175
234 HA SER 28 HA SER 28 8.062 -10.258 -4.347
235 HB2 SER 28 1HB SER 28 6.797 -11.918 -5.803
236 HB3 SER 28 2HB SER 28 8.234 -12.553 -5.027
237 HG SER 28 HG SER 28 6.766 -14.109 -4.550
238 H ASP 29 H ASP 29 6.259 -9.369 -5.735
239 HA ASP 29 HA ASP 29 4.097 -8.588 -4.001
240 HB2 ASP 29 1HB ASP 29 3.644 -7.253 -6.350
241 HB3 ASP 29 2HB ASP 29 4.671 -6.646 -5.066
242 HD2 ASP 29 HD ASP 29 5.730 -8.204 -8.466
243 H LEU 30 H LEU 30 4.793 -10.178 -7.172
244 HA LEU 30 HA LEU 30 2.373 -10.435 -8.292
245 HB2 LEU 30 1HB LEU 30 4.665 -12.363 -8.065
246 HB3 LEU 30 2HB LEU 30 3.220 -12.785 -8.963
247 HG LEU 30 HG LEU 30 4.678 -10.221 -9.564
248 HD11 LEU 30 1HD1 LEU 30 6.527 -11.441 -9.971
249 HD12 LEU 30 2HD1 LEU 30 5.631 -12.976 -10.069
250 HD13 LEU 30 3HD1 LEU 30 5.665 -11.874 -11.468
251 HD21 LEU 30 1HD2 LEU 30 3.576 -10.269 -11.608
252 HD22 LEU 30 2HD2 LEU 30 3.258 -12.018 -11.516
253 HD23 LEU 30 3HD2 LEU 30 2.350 -10.893 -10.478
254 H THR 31 H THR 31 3.677 -12.591 -5.678
255 HA THR 31 HA THR 31 1.333 -14.116 -5.443
256 HB THR 31 HB THR 31 2.432 -14.878 -3.352
257 HG1 THR 31 1HG THR 31 4.475 -13.539 -2.893
258 HG21 THR 31 1HG2 THR 31 4.500 -15.646 -4.237
259 HG22 THR 31 2HG2 THR 31 3.544 -15.356 -5.710
260 HG23 THR 31 3HG2 THR 31 4.750 -14.158 -5.182
261 H ILE 32 H ILE 32 0.292 -14.190 -3.032
262 HA ILE 32 HA ILE 32 -1.362 -11.918 -2.991
263 HB ILE 32 HB ILE 32 -1.159 -14.496 -1.683
264 HG12 ILE 32 1HG1 ILE 32 -3.755 -13.780 -1.512
265 HG13 ILE 32 2HG1 ILE 32 -3.235 -12.646 -2.743
266 HG21 ILE 32 1HG2 ILE 32 -2.546 -13.727 0.324
267 HG22 ILE 32 2HG2 ILE 32 -0.790 -13.447 0.381
268 HG23 ILE 32 3HG2 ILE 32 -1.894 -12.103 0.001
269 HD11 ILE 32 1HD1 ILE 32 -2.278 -14.522 -4.080
270 HD12 ILE 32 2HD1 ILE 32 -2.816 -15.670 -2.832
271 HD13 ILE 32 3HD1 ILE 32 -4.016 -14.753 -3.774
272 HA PRO 33 HA PRO 33 0.978 -9.296 -0.474
273 HB2 PRO 33 1HB PRO 33 -0.946 -7.497 0.254
274 HB3 PRO 33 2HB PRO 33 -0.114 -7.438 -1.287
275 HG2 PRO 33 1HG PRO 33 -2.869 -8.335 -0.701
276 HG3 PRO 33 2HG PRO 33 -2.170 -7.870 -2.239
277 HD2 PRO 33 1HD PRO 33 -2.701 -10.538 -1.331
278 HD3 PRO 33 2HD PRO 33 -1.895 -10.078 -2.819
279 H VAL 34 H VAL 34 1.074 -8.210 1.749
280 HA VAL 34 HA VAL 34 0.207 -10.301 3.586
281 HB VAL 34 HB VAL 34 1.754 -9.116 5.147
282 HG11 VAL 34 1HG1 VAL 34 3.715 -10.089 4.245
283 HG12 VAL 34 2HG1 VAL 34 2.368 -11.067 3.616
284 HG13 VAL 34 3HG1 VAL 34 3.157 -9.862 2.571
285 HG21 VAL 34 1HG2 VAL 34 3.020 -7.285 4.563
286 HG22 VAL 34 2HG2 VAL 34 2.919 -7.629 2.819
287 HG23 VAL 34 3HG2 VAL 34 1.520 -6.933 3.672
288 H LYS 35 H LYS 35 -0.222 -6.847 2.776
289 HA LYS 35 HA LYS 35 -2.720 -6.775 4.059
290 HB2 LYS 35 1HB LYS 35 -2.247 -5.234 5.883
291 HB3 LYS 35 2HB LYS 35 -1.395 -6.748 6.113
292 HG2 LYS 35 1HG LYS 35 0.520 -5.387 4.733
293 HG3 LYS 35 2HG LYS 35 -0.301 -4.027 5.473
294 HD2 LYS 35 1HD LYS 35 0.529 -6.444 7.123
295 HD3 LYS 35 2HD LYS 35 1.658 -5.146 6.790
296 HE2 LYS 35 1HE LYS 35 0.171 -3.501 7.858
297 HE3 LYS 35 2HE LYS 35 -1.088 -4.705 8.052
298 HZ1 LYS 35 1HZ LYS 35 -0.114 -5.374 9.946
299 HZ2 LYS 35 2HZ LYS 35 1.312 -5.657 9.213
300 HZ3 LYS 35 3HZ LYS 35 0.966 -4.157 9.768
301 H ARG 36 H ARG 36 -3.507 -4.338 4.107
302 HA ARG 36 HA ARG 36 -2.097 -2.621 2.377
303 HB2 ARG 36 1HB ARG 36 -3.939 -2.533 0.610
304 HB3 ARG 36 2HB ARG 36 -2.982 -4.001 0.590
305 HG2 ARG 36 1HG ARG 36 -4.857 -4.918 2.237
306 HG3 ARG 36 2HG ARG 36 -5.816 -3.605 1.583
307 HD2 ARG 36 1HD ARG 36 -6.170 -4.725 -0.368
308 HD3 ARG 36 2HD ARG 36 -4.456 -5.022 -0.584
309 HE ARG 36 HE ARG 36 -6.396 -6.902 0.433
310 HH11 ARG 36 1HH ARG 36 -4.110 -9.240 1.606
311 HH12 ARG 36 2HH1 ARG 36 -5.717 -8.915 1.174
312 HH21 ARG 36 1HH2 ARG 36 -2.504 -7.472 1.411
313 HH22 ARG 36 2HH2 ARG 36 -3.017 -5.919 0.841
314 H GLY 37 H GLY 37 -3.239 -0.488 2.172
315 HA2 GLY 37 1HA GLY 37 -5.716 -0.128 3.614
316 HA3 GLY 37 2HA GLY 37 -4.306 0.501 4.444
317 H CYS 38 H CYS 38 -5.474 2.625 4.120
318 HA CYS 38 HA CYS 38 -5.136 3.606 1.387
319 HB2 CYS 38 1HB CYS 38 -6.675 5.057 3.538
320 HB3 CYS 38 2HB CYS 38 -6.805 5.209 1.797
321 H ILE 39 H ILE 39 -4.201 5.849 1.191
322 HA ILE 39 HA ILE 39 -2.878 6.963 3.454
323 HB ILE 39 HB ILE 39 -1.438 4.995 2.833
324 HG12 ILE 39 1HG1 ILE 39 0.165 7.494 2.457
325 HG13 ILE 39 2HG1 ILE 39 -0.786 7.333 3.921
326 HG21 ILE 39 1HG2 ILE 39 0.131 5.890 0.795
327 HG22 ILE 39 2HG2 ILE 39 -1.177 4.696 0.622
328 HG23 ILE 39 3HG2 ILE 39 -1.480 6.408 0.245
329 HD11 ILE 39 1HD1 ILE 39 1.349 5.405 2.905
330 HD12 ILE 39 2HD1 ILE 39 1.417 6.418 4.368
331 HD13 ILE 39 3HD1 ILE 39 0.279 5.052 4.284
332 H ASP 40 H ASP 40 -1.527 8.932 2.707
333 HA ASP 40 HA ASP 40 -3.083 10.165 0.611
334 HB2 ASP 40 1HB ASP 40 -2.983 11.523 2.562
335 HB3 ASP 40 2HB ASP 40 -1.291 11.161 2.842
336 HD2 ASP 40 HD ASP 40 -1.490 14.406 2.125
337 H VAL 41 H VAL 41 0.263 9.282 1.598
338 HA VAL 41 HA VAL 41 1.126 9.831 -1.147
339 HB VAL 41 HB VAL 41 1.807 11.649 0.419
340 HG11 VAL 41 1HG1 VAL 41 2.366 9.575 2.177
341 HG12 VAL 41 2HG1 VAL 41 3.977 10.120 1.650
342 HG13 VAL 41 3HG1 VAL 41 2.837 11.280 2.374
343 HG21 VAL 41 1HG2 VAL 41 3.308 11.824 -1.239
344 HG22 VAL 41 2HG2 VAL 41 4.443 11.006 -0.139
345 HG23 VAL 41 3HG2 VAL 41 3.531 10.060 -1.339
346 H CYS 42 H CYS 42 2.443 8.247 -2.045
347 HA CYS 42 HA CYS 42 2.350 5.728 -0.829
348 HB2 CYS 42 1HB CYS 42 2.414 6.144 -3.293
349 HB3 CYS 42 2HB CYS 42 4.094 6.619 -3.147
350 HA PRO 43 HA PRO 43 5.911 6.347 1.677
351 HB2 PRO 43 1HB PRO 43 5.841 3.956 2.999
352 HB3 PRO 43 2HB PRO 43 4.915 5.356 3.502
353 HG2 PRO 43 1HG PRO 43 3.979 2.907 2.136
354 HG3 PRO 43 2HG PRO 43 3.043 4.101 3.013
355 HD2 PRO 43 1HD PRO 43 3.235 3.824 0.165
356 HD3 PRO 43 2HD PRO 43 2.393 5.087 1.041
357 H LYS 44 H LYS 44 8.039 5.255 2.223
358 HA LYS 44 HA LYS 44 9.100 4.417 -0.284
359 HB2 LYS 44 1HB LYS 44 10.343 4.602 2.476
360 HB3 LYS 44 2HB LYS 44 11.226 4.263 1.001
361 HG2 LYS 44 1HG LYS 44 11.453 6.516 0.777
362 HG3 LYS 44 2HG LYS 44 9.766 6.535 0.304
363 HD2 LYS 44 1HD LYS 44 9.999 8.141 2.091
364 HD3 LYS 44 2HD LYS 44 9.144 6.766 2.762
365 HE2 LYS 44 1HE LYS 44 10.789 7.218 4.404
366 HE3 LYS 44 2HE LYS 44 11.494 5.893 3.500
367 HZ1 LYS 44 1HZ LYS 44 12.709 8.275 3.919
368 HZ2 LYS 44 2HZ LYS 44 13.131 7.238 2.738
369 HZ3 LYS 44 3HZ LYS 44 12.085 8.455 2.417
370 H ASN 45 H ASN 45 9.515 2.380 -1.038
371 HA ASN 45 HA ASN 45 8.268 0.262 0.337
372 HB2 ASN 45 1HB ASN 45 8.374 0.394 -2.159
373 HB3 ASN 45 2HB ASN 45 10.120 0.267 -2.105
374 HD21 ASN 45 1HD2 ASN 45 10.167 -1.589 -3.316
375 HD22 ASN 45 2HD2 ASN 45 9.681 -3.142 -2.721
376 H SER 46 H SER 46 9.575 -1.914 0.659
377 HA SER 46 HA SER 46 12.220 -1.226 1.681
378 HB2 SER 46 1HB SER 46 11.884 -2.836 3.490
379 HB3 SER 46 2HB SER 46 10.569 -1.676 3.496
380 HG SER 46 HG SER 46 9.684 -3.765 3.730
381 H LEU 47 H LEU 47 13.411 -3.590 2.122
382 HA LEU 47 HA LEU 47 13.370 -4.828 -0.518
383 HB2 LEU 47 1HB LEU 47 15.532 -4.356 -0.183
384 HB3 LEU 47 2HB LEU 47 15.378 -4.309 1.562
385 HG LEU 47 HG LEU 47 15.234 -6.896 1.416
386 HD11 LEU 47 1HD1 LEU 47 14.974 -7.428 -0.812
387 HD12 LEU 47 2HD1 LEU 47 16.105 -6.169 -1.361
388 HD13 LEU 47 3HD1 LEU 47 16.727 -7.650 -0.594
389 HD21 LEU 47 1HD2 LEU 47 17.201 -5.247 2.101
390 HD22 LEU 47 2HD2 LEU 47 17.434 -7.009 1.994
391 HD23 LEU 47 3HD2 LEU 47 17.962 -5.958 0.658
392 H LEU 48 H LEU 48 12.024 -5.238 2.574
393 HA LEU 48 HA LEU 48 12.101 -8.147 2.399
394 HB2 LEU 48 1HB LEU 48 11.633 -6.142 4.526
395 HB3 LEU 48 2HB LEU 48 10.680 -7.609 4.631
396 HG LEU 48 HG LEU 48 12.732 -7.736 5.964
397 HD11 LEU 48 1HD1 LEU 48 13.435 -9.726 3.932
398 HD12 LEU 48 2HD1 LEU 48 12.888 -9.936 5.613
399 HD13 LEU 48 3HD1 LEU 48 11.698 -9.679 4.314
400 HD21 LEU 48 1HD2 LEU 48 14.889 -8.101 4.479
401 HD22 LEU 48 2HD2 LEU 48 14.017 -7.023 3.363
402 HD23 LEU 48 3HD2 LEU 48 14.390 -6.480 5.017
403 H VAL 49 H VAL 49 9.690 -5.451 2.758
404 HA VAL 49 HA VAL 49 7.751 -7.244 1.470
405 HB VAL 49 HB VAL 49 7.024 -4.824 3.087
406 HG11 VAL 49 1HG1 VAL 49 5.299 -5.976 1.742
407 HG12 VAL 49 2HG1 VAL 49 5.630 -7.485 2.627
408 HG13 VAL 49 3HG1 VAL 49 4.968 -6.075 3.489
409 HG21 VAL 49 1HG2 VAL 49 6.744 -6.947 4.848
410 HG22 VAL 49 2HG2 VAL 49 8.330 -7.243 4.099
411 HG23 VAL 49 3HG2 VAL 49 8.005 -5.691 4.908
412 H LYS 50 H LYS 50 6.718 -6.565 -0.395
413 HA LYS 50 HA LYS 50 7.901 -4.254 -1.661
414 HB2 LYS 50 1HB LYS 50 7.624 -6.465 -2.812
415 HB3 LYS 50 2HB LYS 50 5.887 -6.240 -2.751
416 HG2 LYS 50 1HG LYS 50 6.378 -5.361 -4.865
417 HG3 LYS 50 2HG LYS 50 6.396 -3.907 -3.887
418 HD2 LYS 50 1HD LYS 50 8.608 -3.553 -4.284
419 HD3 LYS 50 2HD LYS 50 9.024 -5.199 -3.852
420 HE2 LYS 50 1HE LYS 50 7.634 -5.252 -6.394
421 HE3 LYS 50 2HE LYS 50 8.895 -4.038 -6.481
422 HZ1 LYS 50 1HZ LYS 50 10.046 -6.210 -5.211
423 HZ2 LYS 50 2HZ LYS 50 9.187 -6.862 -6.430
424 HZ3 LYS 50 3HZ LYS 50 10.282 -5.688 -6.743
425 H TYR 51 H TYR 51 6.862 -2.331 -2.158
426 HA TYR 51 HA TYR 51 4.213 -2.037 -0.919
427 HB2 TYR 51 1HB TYR 51 6.699 -0.334 -1.400
428 HB3 TYR 51 2HB TYR 51 5.158 0.492 -1.272
429 HD1 TYR 51 1HD TYR 51 6.113 -2.550 0.645
430 HD2 TYR 51 2HD TYR 51 5.539 1.689 0.751
431 HE1 TYR 51 1HE TYR 51 6.305 -2.580 3.180
432 HE2 TYR 51 2HE TYR 51 5.733 1.643 3.286
433 HH TYR 51 HH TYR 51 6.802 -1.174 4.963
434 H VAL 52 H VAL 52 2.498 -1.740 -2.248
435 HA VAL 52 HA VAL 52 3.066 -0.610 -4.899
436 HB VAL 52 HB VAL 52 0.905 -2.636 -4.413
437 HG11 VAL 52 1HG1 VAL 52 2.307 -1.425 -6.765
438 HG12 VAL 52 2HG1 VAL 52 1.705 -3.094 -6.904
439 HG13 VAL 52 3HG1 VAL 52 0.578 -1.771 -6.515
440 HG21 VAL 52 1HG2 VAL 52 3.842 -3.189 -4.888
441 HG22 VAL 52 2HG2 VAL 52 2.779 -3.845 -3.620
442 HG23 VAL 52 3HG2 VAL 52 2.565 -4.354 -5.311
443 H CYS 53 H CYS 53 2.151 1.367 -5.037
444 HA CYS 53 HA CYS 53 -0.207 1.845 -3.386
445 HB2 CYS 53 1HB CYS 53 1.716 3.793 -4.695
446 HB3 CYS 53 2HB CYS 53 0.283 4.261 -3.801
447 H CYS 54 H CYS 54 -1.950 3.243 -4.459
448 HA CYS 54 HA CYS 54 -1.960 3.205 -7.329
449 HB2 CYS 54 1HB CYS 54 -4.280 2.014 -7.265
450 HB3 CYS 54 2HB CYS 54 -2.814 1.056 -7.269
451 H ASN 55 H ASN 55 -4.270 4.165 -8.029
452 HA ASN 55 HA ASN 55 -5.286 5.873 -5.928
453 HB2 ASN 55 1HB ASN 55 -5.060 7.901 -7.250
454 HB3 ASN 55 2HB ASN 55 -3.485 7.132 -7.243
455 HD21 ASN 55 1HD2 ASN 55 -4.567 9.000 -9.141
456 HD22 ASN 55 2HD2 ASN 55 -4.571 8.247 -10.701
457 H THR 56 H THR 56 -6.084 3.445 -7.678
458 HA THR 56 HA THR 56 -8.461 4.660 -8.930
459 HB THR 56 HB THR 56 -8.298 2.526 -10.405
460 HG1 THR 56 1HG THR 56 -6.576 1.258 -9.832
461 HG21 THR 56 1HG2 THR 56 -5.744 4.120 -10.709
462 HG22 THR 56 2HG2 THR 56 -6.881 3.572 -11.964
463 HG23 THR 56 3HG2 THR 56 -7.295 4.964 -10.933
464 H ASP 57 H ASP 57 -10.345 4.212 -7.993
465 HA ASP 57 HA ASP 57 -10.630 2.875 -5.712
466 HB2 ASP 57 1HB ASP 57 -12.719 2.740 -7.927
467 HB3 ASP 57 2HB ASP 57 -13.015 2.741 -6.200
468 HD2 ASP 57 HD ASP 57 -13.280 5.314 -5.403
469 H ARG 58 H ARG 58 -10.513 0.701 -5.093
470 HA ARG 58 HA ARG 58 -10.649 -1.467 -5.181
471 HB2 ARG 58 1HB ARG 58 -11.492 -1.419 -8.111
472 HB3 ARG 58 2HB ARG 58 -11.826 -2.662 -6.921
473 HG2 ARG 58 1HG ARG 58 -13.122 -0.805 -5.615
474 HG3 ARG 58 2HG ARG 58 -13.035 0.125 -7.099
475 HD2 ARG 58 1HD ARG 58 -13.909 -2.630 -7.631
476 HD3 ARG 58 2HD ARG 58 -14.953 -1.855 -6.456
477 HE ARG 58 HE ARG 58 -15.610 -0.252 -8.087
478 HH11 ARG 58 1HH ARG 58 -14.995 -0.254 -11.505
479 HH12 ARG 58 2HH1 ARG 58 -15.908 0.379 -10.226
480 HH21 ARG 58 1HH2 ARG 58 -13.317 -1.888 -11.000
481 HH22 ARG 58 2HH2 ARG 58 -13.078 -2.380 -9.357
482 H CYS 59 H CYS 59 -8.297 0.156 -5.973
483 HA CYS 59 HA CYS 59 -7.039 -1.161 -8.153
484 HB2 CYS 59 1HB CYS 59 -5.018 0.118 -7.395
485 HB3 CYS 59 2HB CYS 59 -6.422 1.110 -7.737
486 H ASN 60 H ASN 60 -7.091 -1.388 -4.566
487 HA ASN 60 HA ASN 60 -5.162 -3.545 -4.725
488 HB2 ASN 60 1HB ASN 60 -4.944 -3.294 -2.302
489 HB3 ASN 60 2HB ASN 60 -4.882 -1.691 -3.006
490 HD21 ASN 60 1HD2 ASN 60 -5.430 -1.655 -0.492
491 HD22 ASN 60 2HD2 ASN 60 -7.101 -1.384 -0.127
492 H1 HOH 101 1H HOH 61 3.693 -12.296 -1.274
493 H2 HOH 101 2H HOH 61 2.824 -12.583 -0.068
Start of MODEL 3
1 H1 LEU 1 H LEU 1 -10.152 8.716 -3.040
2 HA LEU 1 HA LEU 1 -11.850 7.062 -4.300
3 HB2 LEU 1 1HB LEU 1 -8.961 7.225 -3.903
4 HB3 LEU 1 2HB LEU 1 -9.506 5.595 -4.244
5 HG LEU 1 HG LEU 1 -10.844 7.203 -6.119
6 HD11 LEU 1 1HD1 LEU 1 -8.642 8.179 -7.200
7 HD12 LEU 1 2HD1 LEU 1 -9.587 9.112 -6.015
8 HD13 LEU 1 3HD1 LEU 1 -8.114 8.255 -5.502
9 HD21 LEU 1 1HD2 LEU 1 -8.294 5.727 -6.732
10 HD22 LEU 1 2HD2 LEU 1 -9.765 4.856 -6.236
11 HD23 LEU 1 3HD2 LEU 1 -9.781 5.871 -7.699
12 H LYS 2 H LYS 2 -12.053 4.619 -4.241
13 HA LYS 2 HA LYS 2 -12.332 3.800 -1.436
14 HB2 LYS 2 1HB LYS 2 -13.870 2.736 -3.818
15 HB3 LYS 2 2HB LYS 2 -14.177 2.421 -2.122
16 HG2 LYS 2 1HG LYS 2 -15.413 4.314 -1.923
17 HG3 LYS 2 2HG LYS 2 -14.108 5.296 -2.556
18 HD2 LYS 2 1HD LYS 2 -16.040 5.539 -4.028
19 HD3 LYS 2 2HD LYS 2 -14.792 4.665 -4.894
20 HE2 LYS 2 1HE LYS 2 -16.216 2.932 -5.222
21 HE3 LYS 2 2HE LYS 2 -16.361 2.708 -3.489
22 HZ1 LYS 2 1HZ LYS 2 -18.530 3.182 -4.273
23 HZ2 LYS 2 2HZ LYS 2 -18.058 4.582 -3.588
24 HZ3 LYS 2 3HZ LYS 2 -17.993 4.408 -5.213
25 H CYS 3 H CYS 3 -11.602 1.727 -0.797
26 HA CYS 3 HA CYS 3 -10.227 0.172 -2.819
27 HB2 CYS 3 1HB CYS 3 -8.810 1.190 -0.334
28 HB3 CYS 3 2HB CYS 3 -8.170 0.004 -1.453
29 H ASN 4 H ASN 4 -9.690 -2.050 -1.920
30 HA ASN 4 HA ASN 4 -11.783 -2.788 -0.090
31 HB2 ASN 4 1HB ASN 4 -9.786 -4.697 -1.375
32 HB3 ASN 4 2HB ASN 4 -11.428 -5.038 -0.866
33 HD21 ASN 4 1HD2 ASN 4 -9.416 -3.381 -3.215
34 HD22 ASN 4 2HD2 ASN 4 -10.588 -3.244 -4.484
35 H LYS 5 H LYS 5 -11.099 -4.625 1.580
36 HA LYS 5 HA LYS 5 -8.800 -3.603 3.014
37 HB2 LYS 5 1HB LYS 5 -10.704 -5.771 3.912
38 HB3 LYS 5 2HB LYS 5 -9.671 -4.757 4.899
39 HG2 LYS 5 1HG LYS 5 -11.272 -3.159 5.029
40 HG3 LYS 5 2HG LYS 5 -11.355 -3.043 3.281
41 HD2 LYS 5 1HD LYS 5 -13.538 -3.727 3.796
42 HD3 LYS 5 2HD LYS 5 -12.776 -5.265 3.443
43 HE2 LYS 5 1HE LYS 5 -13.300 -5.993 5.525
44 HE3 LYS 5 2HE LYS 5 -12.273 -4.750 6.212
45 HZ1 LYS 5 1HZ LYS 5 -15.163 -4.747 5.905
46 HZ2 LYS 5 2HZ LYS 5 -14.253 -4.047 7.060
47 HZ3 LYS 5 3HZ LYS 5 -14.394 -3.337 5.593
48 H LEU 6 H LEU 6 -8.690 -6.473 4.275
49 HA LEU 6 HA LEU 6 -6.399 -7.282 2.938
50 HB2 LEU 6 1HB LEU 6 -6.783 -7.879 5.205
51 HB3 LEU 6 2HB LEU 6 -8.281 -8.700 4.814
52 HG LEU 6 HG LEU 6 -6.514 -10.111 3.281
53 HD11 LEU 6 1HD1 LEU 6 -4.963 -9.931 5.813
54 HD12 LEU 6 2HD1 LEU 6 -4.429 -10.301 4.155
55 HD13 LEU 6 3HD1 LEU 6 -4.755 -8.617 4.630
56 HD21 LEU 6 1HD2 LEU 6 -8.310 -10.783 5.038
57 HD22 LEU 6 2HD2 LEU 6 -6.962 -11.892 4.687
58 HD23 LEU 6 3HD2 LEU 6 -6.927 -10.885 6.154
59 H VAL 7 H VAL 7 -9.796 -7.731 2.199
60 HA VAL 7 HA VAL 7 -8.987 -9.523 0.016
61 HB VAL 7 HB VAL 7 -11.500 -9.596 1.695
62 HG11 VAL 7 1HG1 VAL 7 -10.828 -11.569 -0.484
63 HG12 VAL 7 2HG1 VAL 7 -12.396 -11.230 0.287
64 HG13 VAL 7 3HG1 VAL 7 -11.693 -10.059 -0.855
65 HG21 VAL 7 1HG2 VAL 7 -9.326 -10.584 2.623
66 HG22 VAL 7 2HG2 VAL 7 -10.743 -11.658 2.560
67 HG23 VAL 7 3HG2 VAL 7 -9.461 -11.801 1.332
68 HA PRO 8 HA PRO 8 -10.767 -6.416 -2.422
69 HB2 PRO 8 1HB PRO 8 -10.835 -7.714 -4.826
70 HB3 PRO 8 2HB PRO 8 -9.396 -6.936 -4.197
71 HG2 PRO 8 1HG PRO 8 -10.035 -9.818 -4.335
72 HG3 PRO 8 2HG PRO 8 -8.475 -9.049 -4.117
73 HD2 PRO 8 1HD PRO 8 -10.063 -10.316 -2.092
74 HD3 PRO 8 2HD PRO 8 -8.562 -9.446 -1.854
75 H ILE 9 H ILE 9 -12.595 -7.520 -0.747
76 HA ILE 9 HA ILE 9 -14.847 -7.815 -2.609
77 HB ILE 9 HB ILE 9 -14.271 -9.957 -1.584
78 HG12 ILE 9 1HG1 ILE 9 -16.622 -10.111 -0.275
79 HG13 ILE 9 2HG1 ILE 9 -16.868 -8.584 -1.099
80 HG21 ILE 9 1HG2 ILE 9 -14.362 -10.363 0.760
81 HG22 ILE 9 2HG2 ILE 9 -13.285 -8.968 0.507
82 HG23 ILE 9 3HG2 ILE 9 -14.948 -8.715 1.091
83 HD11 ILE 9 1HD1 ILE 9 -15.974 -11.156 -2.482
84 HD12 ILE 9 2HD1 ILE 9 -17.648 -10.552 -2.446
85 HD13 ILE 9 3HD1 ILE 9 -16.382 -9.616 -3.277
86 H ALA 10 H ALA 10 -13.954 -7.046 0.831
87 HA ALA 10 HA ALA 10 -16.192 -5.181 0.898
88 HB1 ALA 10 1HB ALA 10 -14.911 -5.132 3.367
89 HB2 ALA 10 2HB ALA 10 -16.315 -6.139 2.939
90 HB3 ALA 10 3HB ALA 10 -14.670 -6.807 2.815
91 H TYR 11 H TYR 11 -15.765 -3.201 0.041
92 HA TYR 11 HA TYR 11 -13.268 -1.926 0.904
93 HB2 TYR 11 1HB TYR 11 -13.072 -1.077 -1.443
94 HB3 TYR 11 2HB TYR 11 -13.143 -2.827 -1.472
95 HD1 TYR 11 1HD TYR 11 -15.229 -3.987 -2.197
96 HD2 TYR 11 2HD TYR 11 -14.820 0.265 -2.421
97 HE1 TYR 11 1HE TYR 11 -17.204 -3.874 -3.793
98 HE2 TYR 11 2HE TYR 11 -16.796 0.364 -4.017
99 HH TYR 11 HH TYR 11 -18.924 -2.138 -4.406
100 H LYS 12 H LYS 12 -13.371 0.398 1.057
101 HA LYS 12 HA LYS 12 -15.987 1.587 0.637
102 HB2 LYS 12 1HB LYS 12 -15.394 0.596 3.131
103 HB3 LYS 12 2HB LYS 12 -14.849 2.256 3.272
104 HG2 LYS 12 1HG LYS 12 -17.018 3.131 2.664
105 HG3 LYS 12 2HG LYS 12 -17.574 1.567 2.100
106 HD2 LYS 12 1HD LYS 12 -16.712 1.911 4.988
107 HD3 LYS 12 2HD LYS 12 -18.310 2.427 4.488
108 HE2 LYS 12 1HE LYS 12 -18.906 0.188 3.758
109 HE3 LYS 12 2HE LYS 12 -17.251 -0.370 3.891
110 HZ1 LYS 12 1HZ LYS 12 -17.366 -0.270 6.240
111 HZ2 LYS 12 2HZ LYS 12 -18.712 0.648 6.257
112 HZ3 LYS 12 3HZ LYS 12 -18.793 -0.908 5.758
113 H THR 13 H THR 13 -15.652 4.090 1.520
114 HA THR 13 HA THR 13 -13.458 5.018 -0.131
115 HB THR 13 HB THR 13 -16.024 6.074 1.023
116 HG1 THR 13 1HG THR 13 -15.896 6.950 -1.229
117 HG21 THR 13 1HG2 THR 13 -13.498 7.700 0.668
118 HG22 THR 13 2HG2 THR 13 -15.029 8.386 0.071
119 HG23 THR 13 3HG2 THR 13 -14.855 7.962 1.791
120 H CYS 14 H CYS 14 -11.777 6.406 0.532
121 HA CYS 14 HA CYS 14 -11.316 6.280 3.424
122 HB2 CYS 14 1HB CYS 14 -9.436 5.876 1.109
123 HB3 CYS 14 2HB CYS 14 -8.821 6.501 2.626
124 HA PRO 15 HA PRO 15 -11.619 10.627 2.167
125 HB2 PRO 15 1HB PRO 15 -13.267 11.461 4.181
126 HB3 PRO 15 2HB PRO 15 -13.855 10.944 2.614
127 HG2 PRO 15 1HG PRO 15 -13.933 9.499 5.191
128 HG3 PRO 15 2HG PRO 15 -14.868 9.204 3.739
129 HD2 PRO 15 1HD PRO 15 -12.611 7.695 4.663
130 HD3 PRO 15 2HD PRO 15 -13.474 7.472 3.154
131 H GLU 16 H GLU 16 -11.339 9.437 5.472
132 HA GLU 16 HA GLU 16 -10.199 11.506 6.663
133 HB2 GLU 16 1HB GLU 16 -9.428 8.567 6.835
134 HB3 GLU 16 2HB GLU 16 -8.783 9.767 7.937
135 HG2 GLU 16 1HG GLU 16 -11.590 10.236 7.878
136 HG3 GLU 16 2HG GLU 16 -11.414 8.494 7.941
137 HE2 GLU 16 HE GLU 16 -12.055 10.653 9.901
138 H GLY 17 H GLY 17 -8.925 12.911 5.408
139 HA2 GLY 17 1HA GLY 17 -7.217 13.463 3.952
140 HA3 GLY 17 2HA GLY 17 -6.332 13.013 5.394
141 H LYS 18 H LYS 18 -8.118 11.009 2.945
142 HA LYS 18 HA LYS 18 -5.569 9.834 2.161
143 HB2 LYS 18 1HB LYS 18 -7.888 8.330 3.377
144 HB3 LYS 18 2HB LYS 18 -6.738 7.547 2.312
145 HG2 LYS 18 1HG LYS 18 -4.937 7.836 3.806
146 HG3 LYS 18 2HG LYS 18 -5.678 9.209 4.604
147 HD2 LYS 18 1HD LYS 18 -6.731 7.882 6.125
148 HD3 LYS 18 2HD LYS 18 -7.356 6.821 4.880
149 HE2 LYS 18 1HE LYS 18 -5.639 5.305 5.115
150 HE3 LYS 18 2HE LYS 18 -4.427 6.550 5.341
151 HZ1 LYS 18 1HZ LYS 18 -5.941 6.745 7.597
152 HZ2 LYS 18 2HZ LYS 18 -5.930 5.136 7.341
153 HZ3 LYS 18 3HZ LYS 18 -4.517 5.954 7.440
154 H ASN 19 H ASN 19 -5.560 9.010 0.019
155 HA ASN 19 HA ASN 19 -8.054 9.216 -1.412
156 HB2 ASN 19 1HB ASN 19 -6.519 11.425 -1.491
157 HB3 ASN 19 2HB ASN 19 -5.609 10.498 -2.667
158 HD21 ASN 19 1HD2 ASN 19 -6.393 12.429 -3.923
159 HD22 ASN 19 2HD2 ASN 19 -7.879 12.274 -4.799
160 H LEU 20 H LEU 20 -4.525 8.484 -1.283
161 HA LEU 20 HA LEU 20 -4.781 6.652 -3.528
162 HB2 LEU 20 1HB LEU 20 -2.362 7.482 -1.919
163 HB3 LEU 20 2HB LEU 20 -2.351 6.478 -3.355
164 HG LEU 20 HG LEU 20 -3.220 9.379 -3.237
165 HD11 LEU 20 1HD1 LEU 20 -1.005 9.035 -4.949
166 HD12 LEU 20 2HD1 LEU 20 -1.067 9.889 -3.389
167 HD13 LEU 20 3HD1 LEU 20 -0.620 8.167 -3.444
168 HD21 LEU 20 1HD2 LEU 20 -3.395 7.304 -5.359
169 HD22 LEU 20 2HD2 LEU 20 -4.437 8.709 -5.029
170 HD23 LEU 20 3HD2 LEU 20 -2.874 8.933 -5.852
171 H CYS 21 H CYS 21 -3.729 4.428 -3.253
172 HA CYS 21 HA CYS 21 -4.193 3.442 -0.540
173 HB2 CYS 21 1HB CYS 21 -5.326 2.305 -3.107
174 HB3 CYS 21 2HB CYS 21 -5.156 1.341 -1.652
175 H TYR 22 H TYR 22 -3.049 1.274 -0.210
176 HA TYR 22 HA TYR 22 -0.919 0.777 -2.136
177 HB2 TYR 22 1HB TYR 22 0.757 1.007 -0.335
178 HB3 TYR 22 2HB TYR 22 -0.200 2.474 -0.331
179 HD1 TYR 22 1HD TYR 22 -1.510 3.098 1.568
180 HD2 TYR 22 2HD TYR 22 0.316 -0.768 1.405
181 HE1 TYR 22 1HE TYR 22 -2.053 2.728 4.025
182 HE2 TYR 22 2HE TYR 22 -0.232 -1.124 3.861
183 HH TYR 22 HH TYR 22 -0.677 0.869 5.912
184 H LYS 23 H LYS 23 0.213 -1.306 -1.702
185 HA LYS 23 HA LYS 23 -1.197 -3.062 0.137
186 HB2 LYS 23 1HB LYS 23 -1.374 -4.792 -1.713
187 HB3 LYS 23 2HB LYS 23 -2.518 -3.466 -1.765
188 HG2 LYS 23 1HG LYS 23 0.092 -3.157 -3.255
189 HG3 LYS 23 2HG LYS 23 -1.137 -4.202 -3.944
190 HD2 LYS 23 1HD LYS 23 -1.921 -1.435 -2.994
191 HD3 LYS 23 2HD LYS 23 -1.093 -1.604 -4.529
192 HE2 LYS 23 1HE LYS 23 -3.572 -3.241 -3.842
193 HE3 LYS 23 2HE LYS 23 -3.680 -1.659 -4.588
194 HZ1 LYS 23 1HZ LYS 23 -3.628 -3.200 -6.361
195 HZ2 LYS 23 2HZ LYS 23 -2.112 -2.607 -6.341
196 HZ3 LYS 23 3HZ LYS 23 -2.425 -4.063 -5.666
197 H MET 24 H MET 24 0.311 -4.078 1.335
198 HA MET 24 HA MET 24 3.002 -4.102 0.298
199 HB2 MET 24 1HB MET 24 1.655 -4.459 2.991
200 HB3 MET 24 2HB MET 24 3.248 -5.159 2.785
201 HG2 MET 24 1HG MET 24 4.071 -2.884 1.980
202 HG3 MET 24 2HG MET 24 2.498 -2.224 2.380
203 HE1 MET 24 1HE MET 24 1.963 -1.238 4.559
204 HE2 MET 24 2HE MET 24 1.400 -2.893 4.894
205 HE3 MET 24 3HE MET 24 2.354 -2.014 6.113
206 H PHE 25 H PHE 25 4.046 -5.915 -0.454
207 HA PHE 25 HA PHE 25 2.631 -8.458 -0.061
208 HB2 PHE 25 1HB PHE 25 4.461 -7.424 -2.310
209 HB3 PHE 25 2HB PHE 25 3.743 -9.023 -2.287
210 HD1 PHE 25 1HD PHE 25 3.171 -5.493 -2.925
211 HD2 PHE 25 2HD PHE 25 1.315 -9.297 -2.619
212 HE1 PHE 25 1HE PHE 25 1.146 -4.600 -4.110
213 HE2 PHE 25 2HE PHE 25 -0.710 -8.404 -3.804
214 HZ PHE 25 HZ PHE 25 -0.770 -6.066 -4.535
215 H MET 26 H MET 26 3.877 -10.339 0.397
216 HA MET 26 HA MET 26 6.348 -9.709 1.692
217 HB2 MET 26 1HB MET 26 4.263 -11.592 2.030
218 HB3 MET 26 2HB MET 26 5.598 -12.571 1.454
219 HG2 MET 26 1HG MET 26 7.063 -11.500 3.253
220 HG3 MET 26 2HG MET 26 5.630 -10.711 3.879
221 HE1 MET 26 1HE MET 26 7.169 -14.599 5.098
222 HE2 MET 26 2HE MET 26 7.913 -13.371 4.048
223 HE3 MET 26 3HE MET 26 7.430 -12.948 5.708
224 H MET 27 H MET 27 8.419 -10.240 1.008
225 HA MET 27 HA MET 27 10.032 -10.853 -0.313
226 HB2 MET 27 1HB MET 27 7.968 -13.005 -0.933
227 HB3 MET 27 2HB MET 27 9.468 -12.980 -1.838
228 HG2 MET 27 1HG MET 27 10.788 -13.174 0.230
229 HG3 MET 27 2HG MET 27 9.348 -13.008 1.216
230 HE1 MET 27 1HE MET 27 9.058 -16.387 2.164
231 HE2 MET 27 2HE MET 27 8.971 -14.630 2.440
232 HE3 MET 27 3HE MET 27 7.617 -15.475 1.651
233 H SER 28 H SER 28 7.266 -11.725 -2.505
234 HA SER 28 HA SER 28 8.241 -9.616 -4.270
235 HB2 SER 28 1HB SER 28 7.347 -12.446 -4.910
236 HB3 SER 28 2HB SER 28 7.279 -11.190 -6.131
237 HG SER 28 HG SER 28 9.316 -12.549 -5.969
238 H ASP 29 H ASP 29 6.487 -8.805 -5.822
239 HA ASP 29 HA ASP 29 4.100 -8.458 -4.287
240 HB2 ASP 29 1HB ASP 29 3.537 -7.030 -6.452
241 HB3 ASP 29 2HB ASP 29 4.702 -6.439 -5.284
242 HD2 ASP 29 HD ASP 29 4.678 -7.070 -8.785
243 H LEU 30 H LEU 30 5.297 -10.117 -7.216
244 HA LEU 30 HA LEU 30 3.057 -10.585 -8.651
245 HB2 LEU 30 1HB LEU 30 5.531 -12.153 -8.091
246 HB3 LEU 30 2HB LEU 30 4.228 -12.945 -8.955
247 HG LEU 30 HG LEU 30 5.409 -10.303 -9.840
248 HD11 LEU 30 1HD1 LEU 30 6.413 -13.079 -10.220
249 HD12 LEU 30 2HD1 LEU 30 6.448 -11.992 -11.629
250 HD13 LEU 30 3HD1 LEU 30 7.293 -11.534 -10.131
251 HD21 LEU 30 1HD2 LEU 30 3.376 -12.191 -10.918
252 HD22 LEU 30 2HD2 LEU 30 3.470 -10.416 -11.016
253 HD23 LEU 30 3HD2 LEU 30 4.480 -11.422 -12.082
254 H THR 31 H THR 31 4.004 -12.041 -5.522
255 HA THR 31 HA THR 31 1.759 -13.864 -5.588
256 HB THR 31 HB THR 31 2.712 -14.546 -3.384
257 HG1 THR 31 1HG THR 31 4.269 -13.159 -2.475
258 HG21 THR 31 1HG2 THR 31 4.826 -15.364 -4.123
259 HG22 THR 31 2HG2 THR 31 3.924 -15.169 -5.644
260 HG23 THR 31 3HG2 THR 31 5.113 -13.940 -5.152
261 H ILE 32 H ILE 32 0.380 -13.936 -3.465
262 HA ILE 32 HA ILE 32 -1.202 -11.643 -3.512
263 HB ILE 32 HB ILE 32 -1.167 -14.237 -2.239
264 HG12 ILE 32 1HG1 ILE 32 -3.761 -13.132 -2.256
265 HG13 ILE 32 2HG1 ILE 32 -2.957 -12.460 -3.662
266 HG21 ILE 32 1HG2 ILE 32 -2.124 -11.902 -0.567
267 HG22 ILE 32 2HG2 ILE 32 -2.599 -13.595 -0.292
268 HG23 ILE 32 3HG2 ILE 32 -0.891 -13.115 -0.144
269 HD11 ILE 32 1HD1 ILE 32 -2.849 -15.433 -3.003
270 HD12 ILE 32 2HD1 ILE 32 -4.129 -14.716 -4.011
271 HD13 ILE 32 3HD1 ILE 32 -2.430 -14.639 -4.540
272 HA PRO 33 HA PRO 33 0.803 -9.046 -0.705
273 HB2 PRO 33 1HB PRO 33 -1.249 -7.402 0.040
274 HB3 PRO 33 2HB PRO 33 -0.365 -7.213 -1.462
275 HG2 PRO 33 1HG PRO 33 -3.083 -8.294 -1.034
276 HG3 PRO 33 2HG PRO 33 -2.356 -7.706 -2.516
277 HD2 PRO 33 1HD PRO 33 -2.762 -10.447 -1.773
278 HD3 PRO 33 2HD PRO 33 -1.932 -9.860 -3.200
279 H VAL 34 H VAL 34 0.905 -8.189 1.556
280 HA VAL 34 HA VAL 34 -0.155 -10.327 3.250
281 HB VAL 34 HB VAL 34 1.586 -9.772 4.780
282 HG11 VAL 34 1HG1 VAL 34 3.638 -9.932 3.214
283 HG12 VAL 34 2HG1 VAL 34 2.423 -11.231 3.148
284 HG13 VAL 34 3HG1 VAL 34 2.446 -9.970 1.892
285 HG21 VAL 34 1HG2 VAL 34 1.716 -7.249 3.214
286 HG22 VAL 34 2HG2 VAL 34 1.957 -7.539 4.954
287 HG23 VAL 34 3HG2 VAL 34 3.266 -7.897 3.802
288 H LYS 35 H LYS 35 -0.108 -6.800 2.681
289 HA LYS 35 HA LYS 35 -2.513 -6.548 4.211
290 HB2 LYS 35 1HB LYS 35 0.107 -5.658 5.329
291 HB3 LYS 35 2HB LYS 35 -1.257 -4.576 5.521
292 HG2 LYS 35 1HG LYS 35 -2.549 -6.742 6.319
293 HG3 LYS 35 2HG LYS 35 -0.946 -7.415 6.544
294 HD2 LYS 35 1HD LYS 35 -0.347 -5.751 8.168
295 HD3 LYS 35 2HD LYS 35 -1.675 -4.703 7.712
296 HE2 LYS 35 1HE LYS 35 -3.059 -5.712 9.202
297 HE3 LYS 35 2HE LYS 35 -2.753 -7.285 8.491
298 HZ1 LYS 35 1HZ LYS 35 -1.843 -7.585 10.565
299 HZ2 LYS 35 2HZ LYS 35 -0.505 -7.011 9.835
300 HZ3 LYS 35 3HZ LYS 35 -1.444 -6.006 10.721
301 H ARG 36 H ARG 36 -3.308 -4.191 4.091
302 HA ARG 36 HA ARG 36 -2.060 -2.552 2.181
303 HB2 ARG 36 1HB ARG 36 -3.968 -2.612 0.504
304 HB3 ARG 36 2HB ARG 36 -3.009 -4.079 0.539
305 HG2 ARG 36 1HG ARG 36 -4.714 -5.102 2.109
306 HG3 ARG 36 2HG ARG 36 -5.692 -3.658 1.940
307 HD2 ARG 36 1HD ARG 36 -6.583 -4.454 0.009
308 HD3 ARG 36 2HD ARG 36 -4.990 -4.547 -0.715
309 HE ARG 36 HE ARG 36 -5.545 -6.759 1.123
310 HH11 ARG 36 1HH ARG 36 -5.932 -9.111 -1.403
311 HH12 ARG 36 2HH1 ARG 36 -5.729 -8.827 0.255
312 HH21 ARG 36 1HH2 ARG 36 -6.023 -7.222 -2.875
313 HH22 ARG 36 2HH2 ARG 36 -5.882 -5.627 -2.216
314 H GLY 37 H GLY 37 -3.210 -0.448 1.982
315 HA2 GLY 37 1HA GLY 37 -5.672 -0.036 3.401
316 HA3 GLY 37 2HA GLY 37 -4.276 0.539 4.292
317 H CYS 38 H CYS 38 -5.620 2.638 3.867
318 HA CYS 38 HA CYS 38 -5.109 3.672 1.198
319 HB2 CYS 38 1HB CYS 38 -6.633 5.100 3.383
320 HB3 CYS 38 2HB CYS 38 -6.708 5.357 1.651
321 H ILE 39 H ILE 39 -3.958 5.740 0.949
322 HA ILE 39 HA ILE 39 -2.650 6.834 3.262
323 HB ILE 39 HB ILE 39 -1.301 4.807 2.560
324 HG12 ILE 39 1HG1 ILE 39 0.460 7.197 2.317
325 HG13 ILE 39 2HG1 ILE 39 -0.575 7.121 3.729
326 HG21 ILE 39 1HG2 ILE 39 0.264 5.998 0.541
327 HG22 ILE 39 2HG2 ILE 39 -0.774 4.556 0.421
328 HG23 ILE 39 3HG2 ILE 39 -1.431 6.161 0.024
329 HD11 ILE 39 1HD1 ILE 39 1.612 6.045 4.174
330 HD12 ILE 39 2HD1 ILE 39 0.293 4.853 4.268
331 HD13 ILE 39 3HD1 ILE 39 1.335 4.916 2.827
332 H ASP 40 H ASP 40 -1.364 8.820 2.635
333 HA ASP 40 HA ASP 40 -2.775 10.062 0.435
334 HB2 ASP 40 1HB ASP 40 -2.890 11.304 2.505
335 HB3 ASP 40 2HB ASP 40 -1.172 11.119 2.796
336 HD2 ASP 40 HD ASP 40 -3.074 13.643 0.633
337 H VAL 41 H VAL 41 0.426 9.056 1.638
338 HA VAL 41 HA VAL 41 1.571 9.841 -0.938
339 HB VAL 41 HB VAL 41 2.689 10.401 1.810
340 HG11 VAL 41 1HG1 VAL 41 4.093 9.797 -0.663
341 HG12 VAL 41 2HG1 VAL 41 4.454 11.445 -0.097
342 HG13 VAL 41 3HG1 VAL 41 4.735 10.055 0.978
343 HG21 VAL 41 1HG2 VAL 41 1.590 12.053 -0.425
344 HG22 VAL 41 2HG2 VAL 41 1.438 12.260 1.337
345 HG23 VAL 41 3HG2 VAL 41 2.950 12.715 0.514
346 H CYS 42 H CYS 42 2.847 8.267 -1.861
347 HA CYS 42 HA CYS 42 2.668 5.685 -0.811
348 HB2 CYS 42 1HB CYS 42 2.952 6.391 -3.254
349 HB3 CYS 42 2HB CYS 42 4.659 6.587 -2.906
350 HA PRO 43 HA PRO 43 6.066 6.119 1.954
351 HB2 PRO 43 1HB PRO 43 5.840 3.685 3.176
352 HB3 PRO 43 2HB PRO 43 4.927 5.094 3.672
353 HG2 PRO 43 1HG PRO 43 4.007 2.729 2.157
354 HG3 PRO 43 2HG PRO 43 3.053 3.919 3.020
355 HD2 PRO 43 1HD PRO 43 3.418 3.742 0.180
356 HD3 PRO 43 2HD PRO 43 2.560 4.998 1.051
357 H LYS 44 H LYS 44 8.098 4.867 2.624
358 HA LYS 44 HA LYS 44 9.333 4.156 0.162
359 HB2 LYS 44 1HB LYS 44 10.318 4.072 3.029
360 HB3 LYS 44 2HB LYS 44 11.318 3.759 1.625
361 HG2 LYS 44 1HG LYS 44 11.710 5.999 1.572
362 HG3 LYS 44 2HG LYS 44 10.084 6.162 0.937
363 HD2 LYS 44 1HD LYS 44 10.165 7.636 2.819
364 HD3 LYS 44 2HD LYS 44 9.260 6.242 3.375
365 HE2 LYS 44 1HE LYS 44 11.156 5.362 4.586
366 HE3 LYS 44 2HE LYS 44 12.272 6.447 3.781
367 HZ1 LYS 44 1HZ LYS 44 10.850 8.288 4.870
368 HZ2 LYS 44 2HZ LYS 44 10.288 7.121 5.858
369 HZ3 LYS 44 3HZ LYS 44 11.894 7.427 5.790
370 H ASN 45 H ASN 45 9.718 2.162 -0.718
371 HA ASN 45 HA ASN 45 8.234 0.022 0.347
372 HB2 ASN 45 1HB ASN 45 8.555 0.268 -2.089
373 HB3 ASN 45 2HB ASN 45 10.296 0.184 -1.911
374 HD21 ASN 45 1HD2 ASN 45 10.457 -1.568 -3.276
375 HD22 ASN 45 2HD2 ASN 45 9.991 -3.175 -2.829
376 H SER 46 H SER 46 9.139 -2.058 1.126
377 HA SER 46 HA SER 46 11.781 -1.675 2.280
378 HB2 SER 46 1HB SER 46 11.102 -3.470 3.883
379 HB3 SER 46 2HB SER 46 10.041 -2.075 3.939
380 HG SER 46 HG SER 46 8.512 -3.229 2.604
381 H LEU 47 H LEU 47 13.275 -3.569 2.300
382 HA LEU 47 HA LEU 47 13.209 -4.903 -0.227
383 HB2 LEU 47 1HB LEU 47 15.178 -5.729 1.806
384 HB3 LEU 47 2HB LEU 47 15.393 -5.305 0.120
385 HG LEU 47 HG LEU 47 14.748 -2.870 1.219
386 HD11 LEU 47 1HD1 LEU 47 15.345 -4.494 3.431
387 HD12 LEU 47 2HD1 LEU 47 16.789 -3.487 3.166
388 HD13 LEU 47 3HD1 LEU 47 15.198 -2.721 3.387
389 HD21 LEU 47 1HD2 LEU 47 17.320 -4.229 0.503
390 HD22 LEU 47 2HD2 LEU 47 16.477 -2.881 -0.296
391 HD23 LEU 47 3HD2 LEU 47 17.357 -2.603 1.226
392 H LEU 48 H LEU 48 11.794 -5.461 2.834
393 HA LEU 48 HA LEU 48 11.873 -8.355 2.508
394 HB2 LEU 48 1HB LEU 48 11.379 -6.461 4.723
395 HB3 LEU 48 2HB LEU 48 10.401 -7.915 4.736
396 HG LEU 48 HG LEU 48 12.393 -8.189 6.101
397 HD11 LEU 48 1HD1 LEU 48 12.312 -10.338 5.572
398 HD12 LEU 48 2HD1 LEU 48 11.576 -9.928 4.004
399 HD13 LEU 48 3HD1 LEU 48 13.346 -10.043 4.153
400 HD21 LEU 48 1HD2 LEU 48 13.829 -6.579 4.876
401 HD22 LEU 48 2HD2 LEU 48 14.634 -8.130 5.216
402 HD23 LEU 48 3HD2 LEU 48 14.023 -7.784 3.580
403 H VAL 49 H VAL 49 9.599 -5.555 2.582
404 HA VAL 49 HA VAL 49 7.627 -7.334 1.321
405 HB VAL 49 HB VAL 49 6.829 -4.937 2.921
406 HG11 VAL 49 1HG1 VAL 49 4.807 -6.271 3.311
407 HG12 VAL 49 2HG1 VAL 49 5.155 -6.127 1.571
408 HG13 VAL 49 3HG1 VAL 49 5.531 -7.639 2.432
409 HG21 VAL 49 1HG2 VAL 49 6.539 -6.772 4.826
410 HG22 VAL 49 2HG2 VAL 49 7.951 -7.487 4.012
411 HG23 VAL 49 3HG2 VAL 49 8.038 -5.828 4.654
412 H LYS 50 H LYS 50 6.618 -6.569 -0.538
413 HA LYS 50 HA LYS 50 7.909 -4.270 -1.727
414 HB2 LYS 50 1HB LYS 50 7.681 -6.360 -2.998
415 HB3 LYS 50 2HB LYS 50 5.936 -6.279 -2.856
416 HG2 LYS 50 1HG LYS 50 6.678 -5.389 -5.045
417 HG3 LYS 50 2HG LYS 50 5.901 -4.135 -4.100
418 HD2 LYS 50 1HD LYS 50 8.090 -3.225 -3.417
419 HD3 LYS 50 2HD LYS 50 8.926 -4.545 -4.211
420 HE2 LYS 50 1HE LYS 50 8.973 -3.313 -6.114
421 HE3 LYS 50 2HE LYS 50 7.228 -3.452 -6.209
422 HZ1 LYS 50 1HZ LYS 50 7.073 -1.454 -4.785
423 HZ2 LYS 50 2HZ LYS 50 8.695 -1.315 -4.755
424 HZ3 LYS 50 3HZ LYS 50 7.892 -1.185 -6.175
425 H TYR 51 H TYR 51 6.997 -2.276 -2.026
426 HA TYR 51 HA TYR 51 4.291 -1.963 -0.937
427 HB2 TYR 51 1HB TYR 51 6.840 -0.309 -1.251
428 HB3 TYR 51 2HB TYR 51 5.315 0.545 -1.108
429 HD1 TYR 51 1HD TYR 51 5.922 -2.639 0.658
430 HD2 TYR 51 2HD TYR 51 5.907 1.627 0.978
431 HE1 TYR 51 1HE TYR 51 6.054 -2.822 3.190
432 HE2 TYR 51 2HE TYR 51 6.039 1.430 3.509
433 HH TYR 51 HH TYR 51 5.893 0.074 5.217
434 H VAL 52 H VAL 52 2.699 -1.824 -2.434
435 HA VAL 52 HA VAL 52 3.378 -0.453 -4.944
436 HB VAL 52 HB VAL 52 1.211 -2.510 -4.723
437 HG11 VAL 52 1HG1 VAL 52 2.776 -2.544 -7.146
438 HG12 VAL 52 2HG1 VAL 52 1.050 -2.173 -6.921
439 HG13 VAL 52 3HG1 VAL 52 2.263 -0.880 -6.779
440 HG21 VAL 52 1HG2 VAL 52 2.930 -4.198 -5.545
441 HG22 VAL 52 2HG2 VAL 52 4.179 -3.055 -4.995
442 HG23 VAL 52 3HG2 VAL 52 3.030 -3.748 -3.825
443 H CYS 53 H CYS 53 2.439 1.516 -5.023
444 HA CYS 53 HA CYS 53 0.046 1.916 -3.420
445 HB2 CYS 53 1HB CYS 53 1.952 3.873 -4.740
446 HB3 CYS 53 2HB CYS 53 0.469 4.355 -3.939
447 H CYS 54 H CYS 54 -1.616 3.501 -4.567
448 HA CYS 54 HA CYS 54 -1.699 3.246 -7.416
449 HB2 CYS 54 1HB CYS 54 -4.030 2.167 -7.318
450 HB3 CYS 54 2HB CYS 54 -2.636 1.123 -7.118
451 H ASN 55 H ASN 55 -3.977 4.276 -8.139
452 HA ASN 55 HA ASN 55 -4.860 6.171 -6.143
453 HB2 ASN 55 1HB ASN 55 -4.713 8.036 -7.871
454 HB3 ASN 55 2HB ASN 55 -3.152 7.450 -7.331
455 HD21 ASN 55 1HD2 ASN 55 -2.385 8.400 -9.311
456 HD22 ASN 55 2HD2 ASN 55 -2.451 7.514 -10.798
457 H THR 56 H THR 56 -5.760 3.687 -7.827
458 HA THR 56 HA THR 56 -8.141 4.949 -9.024
459 HB THR 56 HB THR 56 -8.077 2.928 -10.580
460 HG1 THR 56 1HG THR 56 -6.532 1.443 -10.023
461 HG21 THR 56 1HG2 THR 56 -5.330 4.118 -10.826
462 HG22 THR 56 2HG2 THR 56 -6.591 3.925 -12.066
463 HG23 THR 56 3HG2 THR 56 -6.692 5.263 -10.896
464 H ASP 57 H ASP 57 -10.160 3.993 -8.661
465 HA ASP 57 HA ASP 57 -10.462 2.911 -6.153
466 HB2 ASP 57 1HB ASP 57 -12.353 2.615 -8.533
467 HB3 ASP 57 2HB ASP 57 -12.802 2.481 -6.845
468 HD2 ASP 57 HD ASP 57 -11.839 5.435 -5.989
469 H ARG 58 H ARG 58 -10.652 0.732 -5.413
470 HA ARG 58 HA ARG 58 -10.482 -1.421 -5.399
471 HB2 ARG 58 1HB ARG 58 -11.104 -1.668 -8.361
472 HB3 ARG 58 2HB ARG 58 -11.580 -2.736 -7.056
473 HG2 ARG 58 1HG ARG 58 -12.968 -0.731 -6.143
474 HG3 ARG 58 2HG ARG 58 -12.696 0.022 -7.702
475 HD2 ARG 58 1HD ARG 58 -13.712 -2.820 -7.681
476 HD3 ARG 58 2HD ARG 58 -14.838 -1.550 -7.243
477 HE ARG 58 HE ARG 58 -13.307 -1.030 -9.707
478 HH11 ARG 58 1HH ARG 58 -16.093 -1.354 -11.757
479 HH12 ARG 58 2HH1 ARG 58 -14.472 -0.872 -11.625
480 HH21 ARG 58 1HH2 ARG 58 -17.176 -2.238 -9.810
481 HH22 ARG 58 2HH2 ARG 58 -16.286 -2.363 -8.329
482 H CYS 59 H CYS 59 -8.173 0.279 -6.134
483 HA CYS 59 HA CYS 59 -6.726 -1.062 -8.176
484 HB2 CYS 59 1HB CYS 59 -4.827 0.354 -7.402
485 HB3 CYS 59 2HB CYS 59 -6.269 1.266 -7.799
486 H ASN 60 H ASN 60 -7.459 -1.601 -4.819
487 HA ASN 60 HA ASN 60 -5.322 -3.583 -4.736
488 HB2 ASN 60 1HB ASN 60 -5.060 -3.195 -2.353
489 HB3 ASN 60 2HB ASN 60 -5.029 -1.619 -3.118
490 HD21 ASN 60 1HD2 ASN 60 -5.589 -1.906 -0.460
491 HD22 ASN 60 2HD2 ASN 60 -7.239 -1.499 -0.126
492 H1 HOH 101 1H HOH 61 3.556 -12.530 -0.944
493 H2 HOH 101 2H HOH 61 2.404 -12.529 0.039
Start of MODEL 4
1 H1 LEU 1 H LEU 1 -10.835 8.802 -2.540
2 HA LEU 1 HA LEU 1 -11.914 6.786 -3.877
3 HB2 LEU 1 1HB LEU 1 -9.345 7.773 -3.428
4 HB3 LEU 1 2HB LEU 1 -9.218 6.059 -3.086
5 HG LEU 1 HG LEU 1 -10.703 6.314 -5.501
6 HD11 LEU 1 1HD1 LEU 1 -8.101 7.851 -5.663
7 HD12 LEU 1 2HD1 LEU 1 -9.301 7.578 -6.950
8 HD13 LEU 1 3HD1 LEU 1 -9.704 8.621 -5.566
9 HD21 LEU 1 1HD2 LEU 1 -7.900 5.355 -4.876
10 HD22 LEU 1 2HD2 LEU 1 -9.388 4.385 -4.994
11 HD23 LEU 1 3HD2 LEU 1 -8.702 5.143 -6.450
12 H LYS 2 H LYS 2 -12.149 4.494 -3.714
13 HA LYS 2 HA LYS 2 -12.331 3.619 -0.923
14 HB2 LYS 2 1HB LYS 2 -13.656 2.183 -3.198
15 HB3 LYS 2 2HB LYS 2 -14.129 2.283 -1.515
16 HG2 LYS 2 1HG LYS 2 -14.405 4.875 -2.029
17 HG3 LYS 2 2HG LYS 2 -14.473 4.352 -3.699
18 HD2 LYS 2 1HD LYS 2 -16.174 2.588 -2.192
19 HD3 LYS 2 2HD LYS 2 -16.550 4.223 -1.685
20 HE2 LYS 2 1HE LYS 2 -16.492 4.705 -4.325
21 HE3 LYS 2 2HE LYS 2 -16.797 2.982 -4.429
22 HZ1 LYS 2 1HZ LYS 2 -18.551 3.890 -2.510
23 HZ2 LYS 2 2HZ LYS 2 -18.602 5.049 -3.653
24 HZ3 LYS 2 3HZ LYS 2 -18.881 3.490 -4.062
25 H CYS 3 H CYS 3 -10.784 2.275 -0.186
26 HA CYS 3 HA CYS 3 -9.203 0.876 -2.199
27 HB2 CYS 3 1HB CYS 3 -8.448 1.126 0.712
28 HB3 CYS 3 2HB CYS 3 -7.414 0.829 -0.671
29 H ASN 4 H ASN 4 -8.654 -1.433 -1.750
30 HA ASN 4 HA ASN 4 -10.953 -2.770 -0.735
31 HB2 ASN 4 1HB ASN 4 -8.299 -3.867 -1.806
32 HB3 ASN 4 2HB ASN 4 -9.724 -4.836 -1.490
33 HD21 ASN 4 1HD2 ASN 4 -8.709 -4.956 -3.931
34 HD22 ASN 4 2HD2 ASN 4 -9.675 -4.120 -5.101
35 H LYS 5 H LYS 5 -10.768 -4.522 0.960
36 HA LYS 5 HA LYS 5 -8.935 -3.695 3.044
37 HB2 LYS 5 1HB LYS 5 -11.069 -5.831 3.208
38 HB3 LYS 5 2HB LYS 5 -10.317 -4.948 4.521
39 HG2 LYS 5 1HG LYS 5 -11.825 -3.263 4.338
40 HG3 LYS 5 2HG LYS 5 -11.452 -3.048 2.639
41 HD2 LYS 5 1HD LYS 5 -13.705 -3.659 2.511
42 HD3 LYS 5 2HD LYS 5 -12.935 -5.220 2.305
43 HE2 LYS 5 1HE LYS 5 -14.300 -5.876 4.023
44 HE3 LYS 5 2HE LYS 5 -13.095 -5.121 5.048
45 HZ1 LYS 5 1HZ LYS 5 -15.175 -4.171 5.638
46 HZ2 LYS 5 2HZ LYS 5 -14.443 -3.007 4.764
47 HZ3 LYS 5 3HZ LYS 5 -15.588 -3.949 4.071
48 H LEU 6 H LEU 6 -9.010 -6.474 4.236
49 HA LEU 6 HA LEU 6 -6.539 -7.328 3.441
50 HB2 LEU 6 1HB LEU 6 -7.784 -7.959 5.494
51 HB3 LEU 6 2HB LEU 6 -8.789 -9.024 4.532
52 HG LEU 6 HG LEU 6 -5.821 -9.401 4.420
53 HD11 LEU 6 1HD1 LEU 6 -6.440 -11.096 6.434
54 HD12 LEU 6 2HD1 LEU 6 -5.726 -9.483 6.669
55 HD13 LEU 6 3HD1 LEU 6 -7.481 -9.713 6.848
56 HD21 LEU 6 1HD2 LEU 6 -6.420 -11.731 4.114
57 HD22 LEU 6 2HD2 LEU 6 -8.135 -11.357 4.415
58 HD23 LEU 6 3HD2 LEU 6 -7.324 -10.708 2.969
59 H VAL 7 H VAL 7 -9.769 -8.148 2.100
60 HA VAL 7 HA VAL 7 -8.387 -9.702 0.028
61 HB VAL 7 HB VAL 7 -11.234 -9.755 1.041
62 HG11 VAL 7 1HG1 VAL 7 -10.169 -11.691 -0.999
63 HG12 VAL 7 2HG1 VAL 7 -11.849 -11.227 -0.639
64 HG13 VAL 7 3HG1 VAL 7 -10.786 -10.105 -1.521
65 HG21 VAL 7 1HG2 VAL 7 -10.706 -12.023 1.764
66 HG22 VAL 7 2HG2 VAL 7 -9.058 -11.874 1.107
67 HG23 VAL 7 3HG2 VAL 7 -9.562 -10.867 2.485
68 HA PRO 8 HA PRO 8 -9.424 -6.527 -2.729
69 HB2 PRO 8 1HB PRO 8 -8.933 -7.799 -5.097
70 HB3 PRO 8 2HB PRO 8 -7.672 -7.076 -4.118
71 HG2 PRO 8 1HG PRO 8 -8.344 -9.934 -4.461
72 HG3 PRO 8 2HG PRO 8 -6.865 -9.220 -3.850
73 HD2 PRO 8 1HD PRO 8 -8.943 -10.451 -2.303
74 HD3 PRO 8 2HD PRO 8 -7.521 -9.635 -1.686
75 H ILE 9 H ILE 9 -11.641 -7.592 -1.575
76 HA ILE 9 HA ILE 9 -13.378 -7.730 -3.936
77 HB ILE 9 HB ILE 9 -13.082 -9.955 -2.936
78 HG12 ILE 9 1HG1 ILE 9 -15.589 -10.352 -2.514
79 HG13 ILE 9 2HG1 ILE 9 -15.797 -8.637 -2.811
80 HG21 ILE 9 1HG2 ILE 9 -14.391 -8.785 -0.467
81 HG22 ILE 9 2HG2 ILE 9 -13.908 -10.478 -0.730
82 HG23 ILE 9 3HG2 ILE 9 -12.668 -9.208 -0.612
83 HD11 ILE 9 1HD1 ILE 9 -14.249 -10.364 -4.772
84 HD12 ILE 9 2HD1 ILE 9 -16.026 -10.265 -4.833
85 HD13 ILE 9 3HD1 ILE 9 -15.044 -8.798 -5.058
86 H ALA 10 H ALA 10 -13.095 -7.033 -0.395
87 HA ALA 10 HA ALA 10 -15.313 -5.142 -0.716
88 HB1 ALA 10 1HB ALA 10 -15.060 -5.235 1.909
89 HB2 ALA 10 2HB ALA 10 -15.868 -6.564 1.044
90 HB3 ALA 10 3HB ALA 10 -14.177 -6.743 1.571
91 H TYR 11 H TYR 11 -15.009 -2.949 -0.392
92 HA TYR 11 HA TYR 11 -12.345 -2.121 0.516
93 HB2 TYR 11 1HB TYR 11 -12.787 -0.284 -1.371
94 HB3 TYR 11 2HB TYR 11 -12.205 -1.861 -1.870
95 HD1 TYR 11 1HD TYR 11 -14.733 0.595 -2.327
96 HD2 TYR 11 2HD TYR 11 -14.034 -3.622 -2.526
97 HE1 TYR 11 1HE TYR 11 -16.752 0.325 -3.849
98 HE2 TYR 11 2HE TYR 11 -16.055 -3.877 -4.047
99 HH TYR 11 HH TYR 11 -17.613 -1.152 -5.447
100 H LYS 12 H LYS 12 -12.284 -0.147 1.661
101 HA LYS 12 HA LYS 12 -14.950 0.874 2.347
102 HB2 LYS 12 1HB LYS 12 -12.744 -0.023 3.964
103 HB3 LYS 12 2HB LYS 12 -13.028 1.678 4.276
104 HG2 LYS 12 1HG LYS 12 -15.621 0.586 4.143
105 HG3 LYS 12 2HG LYS 12 -14.694 -0.651 4.968
106 HD2 LYS 12 1HD LYS 12 -15.440 0.768 6.724
107 HD3 LYS 12 2HD LYS 12 -13.773 1.249 6.473
108 HE2 LYS 12 1HE LYS 12 -14.354 3.292 5.497
109 HE3 LYS 12 2HE LYS 12 -15.866 2.683 4.853
110 HZ1 LYS 12 1HZ LYS 12 -16.806 2.732 7.075
111 HZ2 LYS 12 2HZ LYS 12 -15.387 3.162 7.746
112 HZ3 LYS 12 3HZ LYS 12 -16.144 4.184 6.717
113 H THR 13 H THR 13 -14.932 3.268 2.988
114 HA THR 13 HA THR 13 -13.463 4.685 0.905
115 HB THR 13 HB THR 13 -15.981 5.045 2.508
116 HG1 THR 13 1HG THR 13 -16.433 5.906 0.245
117 HG21 THR 13 1HG2 THR 13 -15.276 7.217 3.050
118 HG22 THR 13 2HG2 THR 13 -14.109 7.278 1.708
119 HG23 THR 13 3HG2 THR 13 -15.846 7.491 1.387
120 H CYS 14 H CYS 14 -11.681 5.854 1.247
121 HA CYS 14 HA CYS 14 -11.112 6.522 4.045
122 HB2 CYS 14 1HB CYS 14 -9.152 5.813 1.836
123 HB3 CYS 14 2HB CYS 14 -8.698 6.400 3.424
124 HA PRO 15 HA PRO 15 -11.541 10.367 1.692
125 HB2 PRO 15 1HB PRO 15 -13.060 11.720 3.517
126 HB3 PRO 15 2HB PRO 15 -13.747 10.799 2.193
127 HG2 PRO 15 1HG PRO 15 -13.624 10.106 5.064
128 HG3 PRO 15 2HG PRO 15 -14.651 9.431 3.815
129 HD2 PRO 15 1HD PRO 15 -12.310 8.223 4.951
130 HD3 PRO 15 2HD PRO 15 -13.271 7.603 3.623
131 H GLU 16 H GLU 16 -11.072 10.182 5.184
132 HA GLU 16 HA GLU 16 -9.869 12.472 5.675
133 HB2 GLU 16 1HB GLU 16 -9.041 9.693 6.602
134 HB3 GLU 16 2HB GLU 16 -8.353 11.153 7.287
135 HG2 GLU 16 1HG GLU 16 -10.121 11.155 8.720
136 HG3 GLU 16 2HG GLU 16 -11.088 11.699 7.363
137 HE2 GLU 16 HE GLU 16 -12.846 10.583 7.640
138 H GLY 17 H GLY 17 -8.743 13.426 3.920
139 HA2 GLY 17 1HA GLY 17 -7.139 13.502 2.251
140 HA3 GLY 17 2HA GLY 17 -6.169 13.585 3.708
141 H LYS 18 H LYS 18 -7.963 10.840 2.140
142 HA LYS 18 HA LYS 18 -5.388 9.525 1.726
143 HB2 LYS 18 1HB LYS 18 -7.645 8.560 3.448
144 HB3 LYS 18 2HB LYS 18 -6.724 7.386 2.530
145 HG2 LYS 18 1HG LYS 18 -4.600 8.302 3.518
146 HG3 LYS 18 2HG LYS 18 -5.544 9.437 4.464
147 HD2 LYS 18 1HD LYS 18 -6.826 7.200 5.232
148 HD3 LYS 18 2HD LYS 18 -5.317 6.443 4.762
149 HE2 LYS 18 1HE LYS 18 -4.864 8.878 6.361
150 HE3 LYS 18 2HE LYS 18 -5.851 7.712 7.219
151 HZ1 LYS 18 1HZ LYS 18 -4.104 6.021 6.620
152 HZ2 LYS 18 2HZ LYS 18 -3.162 7.228 6.066
153 HZ3 LYS 18 3HZ LYS 18 -3.627 7.212 7.635
154 H ASN 19 H ASN 19 -5.936 10.423 -0.470
155 HA ASN 19 HA ASN 19 -8.144 9.063 -1.723
156 HB2 ASN 19 1HB ASN 19 -7.271 11.583 -2.067
157 HB3 ASN 19 2HB ASN 19 -6.182 10.829 -3.215
158 HD21 ASN 19 1HD2 ASN 19 -7.129 11.835 -4.957
159 HD22 ASN 19 2HD2 ASN 19 -8.674 11.387 -5.600
160 H LEU 20 H LEU 20 -5.012 8.312 -0.889
161 HA LEU 20 HA LEU 20 -4.529 6.831 -3.380
162 HB2 LEU 20 1HB LEU 20 -2.647 8.101 -1.407
163 HB3 LEU 20 2HB LEU 20 -2.123 6.809 -2.470
164 HG LEU 20 HG LEU 20 -1.797 9.343 -3.111
165 HD11 LEU 20 1HD1 LEU 20 -1.879 8.704 -5.518
166 HD12 LEU 20 2HD1 LEU 20 -1.015 7.537 -4.487
167 HD13 LEU 20 3HD1 LEU 20 -2.668 7.180 -5.045
168 HD21 LEU 20 1HD2 LEU 20 -3.531 10.332 -4.401
169 HD22 LEU 20 2HD2 LEU 20 -4.521 8.855 -4.332
170 HD23 LEU 20 3HD2 LEU 20 -4.258 9.819 -2.859
171 H CYS 21 H CYS 21 -4.097 4.613 -3.255
172 HA CYS 21 HA CYS 21 -4.522 3.490 -0.580
173 HB2 CYS 21 1HB CYS 21 -5.266 2.163 -3.203
174 HB3 CYS 21 2HB CYS 21 -5.643 1.607 -1.585
175 H TYR 22 H TYR 22 -3.297 1.461 -0.153
176 HA TYR 22 HA TYR 22 -1.107 0.951 -2.014
177 HB2 TYR 22 1HB TYR 22 0.516 1.354 -0.262
178 HB3 TYR 22 2HB TYR 22 -0.609 2.685 -0.082
179 HD1 TYR 22 1HD TYR 22 0.043 -0.771 1.209
180 HD2 TYR 22 2HD TYR 22 -1.585 3.106 2.002
181 HE1 TYR 22 1HE TYR 22 -0.357 -1.426 3.633
182 HE2 TYR 22 2HE TYR 22 -1.980 2.438 4.422
183 HH TYR 22 HH TYR 22 -0.940 0.778 6.021
184 H LYS 23 H LYS 23 0.056 -1.107 -1.487
185 HA LYS 23 HA LYS 23 -1.396 -2.865 0.309
186 HB2 LYS 23 1HB LYS 23 -1.457 -4.614 -1.562
187 HB3 LYS 23 2HB LYS 23 -2.669 -3.349 -1.586
188 HG2 LYS 23 1HG LYS 23 -0.993 -2.050 -3.128
189 HG3 LYS 23 2HG LYS 23 -0.182 -3.591 -3.318
190 HD2 LYS 23 1HD LYS 23 -1.865 -4.473 -4.619
191 HD3 LYS 23 2HD LYS 23 -3.135 -3.721 -3.675
192 HE2 LYS 23 1HE LYS 23 -3.204 -1.847 -5.009
193 HE3 LYS 23 2HE LYS 23 -1.462 -1.783 -5.189
194 HZ1 LYS 23 1HZ LYS 23 -1.870 -3.895 -6.653
195 HZ2 LYS 23 2HZ LYS 23 -3.392 -3.329 -6.777
196 HZ3 LYS 23 3HZ LYS 23 -2.134 -2.391 -7.243
197 H MET 24 H MET 24 0.000 -4.150 1.421
198 HA MET 24 HA MET 24 2.752 -4.063 0.495
199 HB2 MET 24 1HB MET 24 1.353 -4.381 3.166
200 HB3 MET 24 2HB MET 24 2.944 -5.098 2.998
201 HG2 MET 24 1HG MET 24 3.990 -3.063 3.046
202 HG3 MET 24 2HG MET 24 2.856 -2.354 1.914
203 HE1 MET 24 1HE MET 24 3.203 -0.053 4.717
204 HE2 MET 24 2HE MET 24 3.304 -0.414 2.977
205 HE3 MET 24 3HE MET 24 1.786 0.204 3.672
206 H PHE 25 H PHE 25 3.651 -5.855 -0.426
207 HA PHE 25 HA PHE 25 2.249 -8.391 0.012
208 HB2 PHE 25 1HB PHE 25 4.143 -7.317 -2.163
209 HB3 PHE 25 2HB PHE 25 3.527 -8.958 -2.160
210 HD1 PHE 25 1HD PHE 25 2.897 -5.577 -3.122
211 HD2 PHE 25 2HD PHE 25 0.997 -9.281 -2.299
212 HE1 PHE 25 1HE PHE 25 0.868 -4.817 -4.388
213 HE2 PHE 25 2HE PHE 25 -1.032 -8.521 -3.565
214 HZ PHE 25 HZ PHE 25 -1.073 -6.299 -4.595
215 H MET 26 H MET 26 3.342 -10.185 0.801
216 HA MET 26 HA MET 26 5.895 -9.608 1.961
217 HB2 MET 26 1HB MET 26 3.719 -11.100 2.749
218 HB3 MET 26 2HB MET 26 4.701 -12.372 2.052
219 HG2 MET 26 1HG MET 26 6.656 -11.408 3.493
220 HG3 MET 26 2HG MET 26 5.420 -10.511 4.353
221 HE1 MET 26 1HE MET 26 7.183 -12.997 6.056
222 HE2 MET 26 2HE MET 26 6.872 -14.512 5.176
223 HE3 MET 26 3HE MET 26 7.550 -13.107 4.318
224 H MET 27 H MET 27 7.867 -10.202 1.141
225 HA MET 27 HA MET 27 9.292 -10.868 -0.386
226 HB2 MET 27 1HB MET 27 7.788 -13.331 0.525
227 HB3 MET 27 2HB MET 27 8.924 -13.541 -0.793
228 HG2 MET 27 1HG MET 27 10.774 -12.703 0.554
229 HG3 MET 27 2HG MET 27 9.690 -12.161 1.820
230 HE1 MET 27 1HE MET 27 12.059 -15.196 2.712
231 HE2 MET 27 2HE MET 27 11.927 -15.522 0.966
232 HE3 MET 27 3HE MET 27 12.208 -13.862 1.543
233 H SER 28 H SER 28 8.482 -9.604 -2.193
234 HA SER 28 HA SER 28 8.231 -9.640 -4.407
235 HB2 SER 28 1HB SER 28 8.400 -12.258 -4.238
236 HB3 SER 28 2HB SER 28 6.651 -12.228 -4.346
237 HG SER 28 HG SER 28 7.117 -12.275 -6.463
238 H ASP 29 H ASP 29 6.439 -8.883 -5.770
239 HA ASP 29 HA ASP 29 4.132 -8.285 -4.139
240 HB2 ASP 29 1HB ASP 29 3.825 -7.032 -6.641
241 HB3 ASP 29 2HB ASP 29 4.394 -6.279 -5.165
242 HD2 ASP 29 HD ASP 29 6.243 -8.113 -7.855
243 H LEU 30 H LEU 30 5.202 -9.905 -7.162
244 HA LEU 30 HA LEU 30 2.916 -10.291 -8.526
245 HB2 LEU 30 1HB LEU 30 5.359 -11.931 -8.070
246 HB3 LEU 30 2HB LEU 30 4.007 -12.694 -8.882
247 HG LEU 30 HG LEU 30 5.283 -10.102 -9.795
248 HD11 LEU 30 1HD1 LEU 30 6.496 -11.337 -11.445
249 HD12 LEU 30 2HD1 LEU 30 6.851 -12.050 -9.854
250 HD13 LEU 30 3HD1 LEU 30 5.718 -12.862 -10.959
251 HD21 LEU 30 1HD2 LEU 30 2.806 -11.000 -10.405
252 HD22 LEU 30 2HD2 LEU 30 3.820 -10.036 -11.506
253 HD23 LEU 30 3HD2 LEU 30 3.760 -11.807 -11.673
254 H THR 31 H THR 31 3.999 -12.109 -5.597
255 HA THR 31 HA THR 31 1.800 -13.871 -5.578
256 HB THR 31 HB THR 31 2.634 -14.326 -3.265
257 HG1 THR 31 1HG THR 31 3.057 -12.051 -2.763
258 HG21 THR 31 1HG2 THR 31 4.571 -15.310 -4.007
259 HG22 THR 31 2HG2 THR 31 4.167 -14.622 -5.598
260 HG23 THR 31 3HG2 THR 31 5.260 -13.745 -4.501
261 H ILE 32 H ILE 32 0.285 -13.928 -3.541
262 HA ILE 32 HA ILE 32 -1.395 -11.675 -3.829
263 HB ILE 32 HB ILE 32 -1.486 -14.317 -2.699
264 HG12 ILE 32 1HG1 ILE 32 -3.991 -13.845 -3.026
265 HG13 ILE 32 2HG1 ILE 32 -3.506 -12.289 -3.666
266 HG21 ILE 32 1HG2 ILE 32 -3.206 -13.693 -0.909
267 HG22 ILE 32 2HG2 ILE 32 -1.485 -13.481 -0.511
268 HG23 ILE 32 3HG2 ILE 32 -2.478 -12.070 -0.948
269 HD11 ILE 32 1HD1 ILE 32 -3.740 -14.533 -5.199
270 HD12 ILE 32 2HD1 ILE 32 -2.642 -13.191 -5.598
271 HD13 ILE 32 3HD1 ILE 32 -2.017 -14.635 -4.765
272 HA PRO 33 HA PRO 33 0.096 -9.149 -0.664
273 HB2 PRO 33 1HB PRO 33 -2.131 -7.705 -0.009
274 HB3 PRO 33 2HB PRO 33 -1.139 -7.354 -1.411
275 HG2 PRO 33 1HG PRO 33 -3.793 -8.649 -1.296
276 HG3 PRO 33 2HG PRO 33 -2.989 -7.914 -2.668
277 HD2 PRO 33 1HD PRO 33 -3.249 -10.720 -2.130
278 HD3 PRO 33 2HD PRO 33 -2.347 -9.982 -3.439
279 H VAL 34 H VAL 34 0.134 -8.584 1.620
280 HA VAL 34 HA VAL 34 -1.275 -10.696 3.101
281 HB VAL 34 HB VAL 34 0.565 -10.592 4.696
282 HG11 VAL 34 1HG1 VAL 34 0.567 -12.008 2.498
283 HG12 VAL 34 2HG1 VAL 34 1.882 -10.913 2.008
284 HG13 VAL 34 3HG1 VAL 34 2.049 -11.902 3.479
285 HG21 VAL 34 1HG2 VAL 34 1.627 -8.598 4.782
286 HG22 VAL 34 2HG2 VAL 34 2.679 -9.325 3.543
287 HG23 VAL 34 3HG2 VAL 34 1.344 -8.251 3.059
288 H LYS 35 H LYS 35 -0.290 -7.250 2.939
289 HA LYS 35 HA LYS 35 -2.527 -6.643 4.691
290 HB2 LYS 35 1HB LYS 35 -1.197 -5.208 6.141
291 HB3 LYS 35 2HB LYS 35 -0.648 -6.869 6.234
292 HG2 LYS 35 1HG LYS 35 0.980 -6.013 4.232
293 HG3 LYS 35 2HG LYS 35 0.720 -4.478 5.035
294 HD2 LYS 35 1HD LYS 35 1.209 -6.415 7.096
295 HD3 LYS 35 2HD LYS 35 2.415 -6.685 5.854
296 HE2 LYS 35 1HE LYS 35 3.032 -4.266 5.911
297 HE3 LYS 35 2HE LYS 35 1.807 -3.974 7.129
298 HZ1 LYS 35 1HZ LYS 35 3.775 -6.065 7.700
299 HZ2 LYS 35 2HZ LYS 35 4.289 -4.522 7.793
300 HZ3 LYS 35 3HZ LYS 35 3.011 -5.011 8.691
301 H ARG 36 H ARG 36 -3.110 -4.298 4.579
302 HA ARG 36 HA ARG 36 -1.849 -2.725 2.626
303 HB2 ARG 36 1HB ARG 36 -3.611 -2.649 0.938
304 HB3 ARG 36 2HB ARG 36 -3.153 -4.325 1.159
305 HG2 ARG 36 1HG ARG 36 -5.508 -3.029 2.604
306 HG3 ARG 36 2HG ARG 36 -5.669 -3.892 1.087
307 HD2 ARG 36 1HD ARG 36 -4.699 -5.040 3.746
308 HD3 ARG 36 2HD ARG 36 -6.191 -5.434 2.914
309 HE ARG 36 HE ARG 36 -4.233 -6.035 1.040
310 HH11 ARG 36 1HH ARG 36 -3.146 -9.170 2.065
311 HH12 ARG 36 2HH1 ARG 36 -3.261 -8.049 0.799
312 HH21 ARG 36 1HH2 ARG 36 -4.061 -8.571 4.197
313 HH22 ARG 36 2HH2 ARG 36 -4.810 -7.022 4.393
314 H GLY 37 H GLY 37 -3.487 -0.709 2.126
315 HA2 GLY 37 1HA GLY 37 -5.565 -0.120 3.889
316 HA3 GLY 37 2HA GLY 37 -4.082 0.439 4.637
317 H CYS 38 H CYS 38 -5.588 2.506 4.201
318 HA CYS 38 HA CYS 38 -5.176 3.479 1.498
319 HB2 CYS 38 1HB CYS 38 -6.603 4.977 3.698
320 HB3 CYS 38 2HB CYS 38 -6.781 5.144 1.963
321 H ILE 39 H ILE 39 -4.366 5.849 1.343
322 HA ILE 39 HA ILE 39 -2.857 6.888 3.499
323 HB ILE 39 HB ILE 39 -1.465 4.921 2.758
324 HG12 ILE 39 1HG1 ILE 39 0.137 7.410 2.342
325 HG13 ILE 39 2HG1 ILE 39 -0.750 7.253 3.845
326 HG21 ILE 39 1HG2 ILE 39 -1.449 4.719 0.496
327 HG22 ILE 39 2HG2 ILE 39 -1.543 6.475 0.220
328 HG23 ILE 39 3HG2 ILE 39 0.006 5.728 0.679
329 HD11 ILE 39 1HD1 ILE 39 1.368 6.268 4.304
330 HD12 ILE 39 2HD1 ILE 39 0.294 4.877 4.019
331 HD13 ILE 39 3HD1 ILE 39 1.405 5.420 2.739
332 H ASP 40 H ASP 40 -1.289 8.719 2.438
333 HA ASP 40 HA ASP 40 -3.031 10.009 0.495
334 HB2 ASP 40 1HB ASP 40 -1.998 12.141 1.327
335 HB3 ASP 40 2HB ASP 40 -2.856 11.263 2.577
336 HD2 ASP 40 HD ASP 40 0.188 12.821 3.399
337 H VAL 41 H VAL 41 0.337 9.177 1.453
338 HA VAL 41 HA VAL 41 1.167 9.737 -1.302
339 HB VAL 41 HB VAL 41 1.857 11.568 0.212
340 HG11 VAL 41 1HG1 VAL 41 3.299 9.327 1.655
341 HG12 VAL 41 2HG1 VAL 41 3.744 11.042 1.829
342 HG13 VAL 41 3HG1 VAL 41 2.124 10.489 2.317
343 HG21 VAL 41 1HG2 VAL 41 4.012 9.821 -1.008
344 HG22 VAL 41 2HG2 VAL 41 3.194 11.228 -1.729
345 HG23 VAL 41 3HG2 VAL 41 4.322 11.454 -0.371
346 H CYS 42 H CYS 42 2.736 8.282 -2.145
347 HA CYS 42 HA CYS 42 2.546 5.693 -1.124
348 HB2 CYS 42 1HB CYS 42 3.032 6.473 -3.535
349 HB3 CYS 42 2HB CYS 42 4.705 6.617 -3.029
350 HA PRO 43 HA PRO 43 5.700 6.186 1.906
351 HB2 PRO 43 1HB PRO 43 5.455 3.730 3.078
352 HB3 PRO 43 2HB PRO 43 4.459 5.104 3.515
353 HG2 PRO 43 1HG PRO 43 3.741 2.732 1.904
354 HG3 PRO 43 2HG PRO 43 2.682 3.881 2.700
355 HD2 PRO 43 1HD PRO 43 3.280 3.754 -0.103
356 HD3 PRO 43 2HD PRO 43 2.315 4.970 0.710
357 H LYS 44 H LYS 44 7.681 4.907 2.756
358 HA LYS 44 HA LYS 44 9.183 4.353 0.412
359 HB2 LYS 44 1HB LYS 44 9.934 3.902 3.315
360 HB3 LYS 44 2HB LYS 44 11.028 4.005 1.949
361 HG2 LYS 44 1HG LYS 44 10.586 6.334 1.613
362 HG3 LYS 44 2HG LYS 44 9.122 6.287 2.574
363 HD2 LYS 44 1HD LYS 44 11.699 5.528 3.937
364 HD3 LYS 44 2HD LYS 44 11.455 7.223 3.561
365 HE2 LYS 44 1HE LYS 44 9.171 7.053 4.715
366 HE3 LYS 44 2HE LYS 44 9.626 5.444 5.239
367 HZ1 LYS 44 1HZ LYS 44 11.667 7.377 5.816
368 HZ2 LYS 44 2HZ LYS 44 10.259 7.762 6.539
369 HZ3 LYS 44 3HZ LYS 44 10.922 6.285 6.781
370 H ASN 45 H ASN 45 9.524 2.453 -0.630
371 HA ASN 45 HA ASN 45 8.028 0.223 0.215
372 HB2 ASN 45 1HB ASN 45 8.527 0.817 -2.200
373 HB3 ASN 45 2HB ASN 45 10.210 0.413 -1.927
374 HD21 ASN 45 1HD2 ASN 45 9.255 -0.932 -3.863
375 HD22 ASN 45 2HD2 ASN 45 8.813 -2.561 -3.478
376 H SER 46 H SER 46 8.905 -1.879 0.909
377 HA SER 46 HA SER 46 11.559 -1.599 2.071
378 HB2 SER 46 1HB SER 46 10.888 -3.250 3.716
379 HB3 SER 46 2HB SER 46 9.630 -2.034 3.627
380 HG SER 46 HG SER 46 8.907 -3.827 1.815
381 H LEU 47 H LEU 47 12.931 -3.635 2.097
382 HA LEU 47 HA LEU 47 12.851 -4.828 -0.511
383 HB2 LEU 47 1HB LEU 47 15.005 -4.458 -0.034
384 HB3 LEU 47 2HB LEU 47 14.758 -4.528 1.700
385 HG LEU 47 HG LEU 47 14.563 -7.084 1.388
386 HD11 LEU 47 1HD1 LEU 47 16.244 -7.550 -0.705
387 HD12 LEU 47 2HD1 LEU 47 14.473 -7.711 -0.765
388 HD13 LEU 47 3HD1 LEU 47 15.251 -6.218 -1.343
389 HD21 LEU 47 1HD2 LEU 47 16.740 -7.301 2.018
390 HD22 LEU 47 2HD2 LEU 47 17.339 -6.197 0.756
391 HD23 LEU 47 3HD2 LEU 47 16.561 -5.541 2.217
392 H LEU 48 H LEU 48 11.945 -5.653 2.818
393 HA LEU 48 HA LEU 48 11.749 -8.452 2.283
394 HB2 LEU 48 1HB LEU 48 11.264 -6.610 4.545
395 HB3 LEU 48 2HB LEU 48 10.288 -8.065 4.524
396 HG LEU 48 HG LEU 48 12.296 -8.350 5.880
397 HD11 LEU 48 1HD1 LEU 48 12.435 -10.505 5.324
398 HD12 LEU 48 2HD1 LEU 48 11.321 -10.113 3.993
399 HD13 LEU 48 3HD1 LEU 48 13.077 -10.141 3.704
400 HD21 LEU 48 1HD2 LEU 48 14.531 -8.490 4.692
401 HD22 LEU 48 2HD2 LEU 48 13.758 -7.639 3.332
402 HD23 LEU 48 3HD2 LEU 48 13.861 -6.858 4.929
403 H VAL 49 H VAL 49 9.373 -5.744 2.740
404 HA VAL 49 HA VAL 49 7.406 -7.455 1.390
405 HB VAL 49 HB VAL 49 6.768 -5.001 2.998
406 HG11 VAL 49 1HG1 VAL 49 5.020 -6.056 1.582
407 HG12 VAL 49 2HG1 VAL 49 5.220 -7.567 2.502
408 HG13 VAL 49 3HG1 VAL 49 4.626 -6.100 3.317
409 HG21 VAL 49 1HG2 VAL 49 7.890 -7.514 4.009
410 HG22 VAL 49 2HG2 VAL 49 7.659 -5.949 4.826
411 HG23 VAL 49 3HG2 VAL 49 6.314 -7.110 4.730
412 H LYS 50 H LYS 50 6.477 -6.777 -0.520
413 HA LYS 50 HA LYS 50 7.737 -4.483 -1.749
414 HB2 LYS 50 1HB LYS 50 6.012 -6.751 -2.739
415 HB3 LYS 50 2HB LYS 50 6.320 -5.347 -3.738
416 HG2 LYS 50 1HG LYS 50 8.582 -6.893 -2.408
417 HG3 LYS 50 2HG LYS 50 7.947 -7.356 -3.974
418 HD2 LYS 50 1HD LYS 50 8.589 -5.256 -4.975
419 HD3 LYS 50 2HD LYS 50 8.879 -4.512 -3.416
420 HE2 LYS 50 1HE LYS 50 11.071 -5.048 -3.828
421 HE3 LYS 50 2HE LYS 50 10.607 -6.635 -3.246
422 HZ1 LYS 50 1HZ LYS 50 11.713 -6.698 -5.446
423 HZ2 LYS 50 2HZ LYS 50 10.216 -7.334 -5.521
424 HZ3 LYS 50 3HZ LYS 50 10.481 -5.810 -6.055
425 H TYR 51 H TYR 51 6.817 -2.503 -2.028
426 HA TYR 51 HA TYR 51 4.096 -2.207 -0.986
427 HB2 TYR 51 1HB TYR 51 6.605 -0.520 -1.413
428 HB3 TYR 51 2HB TYR 51 5.067 0.311 -1.308
429 HD1 TYR 51 1HD TYR 51 5.459 1.505 0.723
430 HD2 TYR 51 2HD TYR 51 5.932 -2.746 0.616
431 HE1 TYR 51 1HE TYR 51 5.609 1.450 3.260
432 HE2 TYR 51 2HE TYR 51 6.082 -2.786 3.154
433 HH TYR 51 HH TYR 51 5.389 -1.454 5.016
434 H VAL 52 H VAL 52 2.412 -1.412 -2.222
435 HA VAL 52 HA VAL 52 3.065 -0.450 -4.898
436 HB VAL 52 HB VAL 52 0.847 -2.433 -4.521
437 HG11 VAL 52 1HG1 VAL 52 2.598 -1.859 -6.930
438 HG12 VAL 52 2HG1 VAL 52 1.065 -2.764 -6.881
439 HG13 VAL 52 3HG1 VAL 52 1.072 -1.007 -6.591
440 HG21 VAL 52 1HG2 VAL 52 3.787 -3.058 -4.884
441 HG22 VAL 52 2HG2 VAL 52 2.653 -3.708 -3.674
442 HG23 VAL 52 3HG2 VAL 52 2.499 -4.180 -5.384
443 H CYS 53 H CYS 53 2.170 1.536 -5.044
444 HA CYS 53 HA CYS 53 -0.173 2.053 -3.391
445 HB2 CYS 53 1HB CYS 53 1.687 3.998 -4.797
446 HB3 CYS 53 2HB CYS 53 0.328 4.441 -3.783
447 H CYS 54 H CYS 54 -1.801 3.660 -4.530
448 HA CYS 54 HA CYS 54 -1.895 3.541 -7.362
449 HB2 CYS 54 1HB CYS 54 -4.198 2.320 -7.306
450 HB3 CYS 54 2HB CYS 54 -2.718 1.379 -7.326
451 H ASN 55 H ASN 55 -4.233 4.471 -8.030
452 HA ASN 55 HA ASN 55 -5.218 6.166 -5.898
453 HB2 ASN 55 1HB ASN 55 -5.087 8.180 -7.257
454 HB3 ASN 55 2HB ASN 55 -3.497 7.443 -7.296
455 HD21 ASN 55 1HD2 ASN 55 -5.086 9.206 -9.158
456 HD22 ASN 55 2HD2 ASN 55 -4.991 8.450 -10.714
457 H THR 56 H THR 56 -5.980 3.714 -7.704
458 HA THR 56 HA THR 56 -8.465 4.862 -8.800
459 HB THR 56 HB THR 56 -8.291 2.763 -10.327
460 HG1 THR 56 1HG THR 56 -6.442 1.588 -9.958
461 HG21 THR 56 1HG2 THR 56 -5.818 4.456 -10.726
462 HG22 THR 56 2HG2 THR 56 -7.010 3.906 -11.929
463 HG23 THR 56 3HG2 THR 56 -7.404 5.257 -10.837
464 H ASP 57 H ASP 57 -10.352 4.199 -7.967
465 HA ASP 57 HA ASP 57 -10.475 2.846 -5.642
466 HB2 ASP 57 1HB ASP 57 -12.648 2.618 -7.762
467 HB3 ASP 57 2HB ASP 57 -12.855 2.663 -6.022
468 HD2 ASP 57 HD ASP 57 -12.731 6.149 -5.898
469 H ARG 58 H ARG 58 -10.374 0.651 -5.059
470 HA ARG 58 HA ARG 58 -10.383 -1.512 -5.204
471 HB2 ARG 58 1HB ARG 58 -11.310 -1.399 -8.110
472 HB3 ARG 58 2HB ARG 58 -11.534 -2.714 -6.973
473 HG2 ARG 58 1HG ARG 58 -12.897 -1.028 -5.537
474 HG3 ARG 58 2HG ARG 58 -12.882 0.017 -6.944
475 HD2 ARG 58 1HD ARG 58 -13.897 -2.866 -6.988
476 HD3 ARG 58 2HD ARG 58 -14.937 -1.474 -6.767
477 HE ARG 58 HE ARG 58 -13.212 -1.327 -9.148
478 HH11 ARG 58 1HH ARG 58 -15.862 -1.699 -11.363
479 HH12 ARG 58 2HH1 ARG 58 -14.227 -1.304 -11.156
480 HH21 ARG 58 1HH2 ARG 58 -17.137 -2.304 -9.426
481 HH22 ARG 58 2HH2 ARG 58 -16.365 -2.325 -7.875
482 H CYS 59 H CYS 59 -8.119 0.232 -6.030
483 HA CYS 59 HA CYS 59 -6.860 -0.994 -8.258
484 HB2 CYS 59 1HB CYS 59 -4.866 0.342 -7.495
485 HB3 CYS 59 2HB CYS 59 -6.307 1.282 -7.829
486 H ASN 60 H ASN 60 -6.644 -1.179 -4.652
487 HA ASN 60 HA ASN 60 -4.639 -3.217 -4.867
488 HB2 ASN 60 1HB ASN 60 -4.542 -3.085 -2.426
489 HB3 ASN 60 2HB ASN 60 -4.623 -1.447 -3.042
490 HD21 ASN 60 1HD2 ASN 60 -5.315 -2.227 -0.442
491 HD22 ASN 60 2HD2 ASN 60 -7.002 -1.936 -0.177
492 H1 HOH 101 1H HOH 61 3.058 -12.421 -0.796
493 H2 HOH 101 2H HOH 61 1.867 -12.368 0.135
Start of MODEL 5
1 H1 LEU 1 H LEU 1 -10.278 9.024 -2.843
2 HA LEU 1 HA LEU 1 -11.265 7.101 -4.364
3 HB2 LEU 1 1HB LEU 1 -8.742 7.785 -3.321
4 HB3 LEU 1 2HB LEU 1 -8.905 6.057 -3.081
5 HG LEU 1 HG LEU 1 -7.807 6.837 -5.238
6 HD11 LEU 1 1HD1 LEU 1 -10.056 5.143 -6.114
7 HD12 LEU 1 2HD1 LEU 1 -8.302 4.844 -6.146
8 HD13 LEU 1 3HD1 LEU 1 -9.221 4.588 -4.643
9 HD21 LEU 1 1HD2 LEU 1 -9.614 8.628 -5.595
10 HD22 LEU 1 2HD2 LEU 1 -9.059 7.702 -7.010
11 HD23 LEU 1 3HD2 LEU 1 -10.612 7.302 -6.238
12 H LYS 2 H LYS 2 -11.081 4.598 -4.089
13 HA LYS 2 HA LYS 2 -12.195 3.901 -1.463
14 HB2 LYS 2 1HB LYS 2 -13.098 2.851 -4.162
15 HB3 LYS 2 2HB LYS 2 -13.707 2.335 -2.601
16 HG2 LYS 2 1HG LYS 2 -14.349 4.779 -2.155
17 HG3 LYS 2 2HG LYS 2 -13.939 5.122 -3.823
18 HD2 LYS 2 1HD LYS 2 -15.782 2.798 -3.365
19 HD3 LYS 2 2HD LYS 2 -16.440 4.386 -3.021
20 HE2 LYS 2 1HE LYS 2 -15.615 5.121 -5.340
21 HE3 LYS 2 2HE LYS 2 -15.229 3.442 -5.659
22 HZ1 LYS 2 1HZ LYS 2 -17.889 4.640 -5.262
23 HZ2 LYS 2 2HZ LYS 2 -17.398 3.630 -6.441
24 HZ3 LYS 2 3HZ LYS 2 -17.628 3.061 -4.924
25 H CYS 3 H CYS 3 -11.022 2.402 -0.395
26 HA CYS 3 HA CYS 3 -9.201 0.792 -2.030
27 HB2 CYS 3 1HB CYS 3 -8.783 1.360 0.905
28 HB3 CYS 3 2HB CYS 3 -7.620 0.798 -0.278
29 H ASN 4 H ASN 4 -9.008 -1.487 -1.436
30 HA ASN 4 HA ASN 4 -11.405 -2.402 -0.085
31 HB2 ASN 4 1HB ASN 4 -9.424 -4.109 -1.665
32 HB3 ASN 4 2HB ASN 4 -11.085 -4.503 -1.266
33 HD21 ASN 4 1HD2 ASN 4 -10.562 -4.821 -3.764
34 HD22 ASN 4 2HD2 ASN 4 -11.151 -3.554 -4.787
35 H LYS 5 H LYS 5 -10.977 -4.636 1.158
36 HA LYS 5 HA LYS 5 -8.742 -4.134 2.940
37 HB2 LYS 5 1HB LYS 5 -10.883 -6.248 3.231
38 HB3 LYS 5 2HB LYS 5 -9.852 -5.568 4.476
39 HG2 LYS 5 1HG LYS 5 -11.355 -3.918 4.862
40 HG3 LYS 5 2HG LYS 5 -11.223 -3.378 3.200
41 HD2 LYS 5 1HD LYS 5 -13.443 -3.965 3.107
42 HD3 LYS 5 2HD LYS 5 -12.801 -5.568 2.813
43 HE2 LYS 5 1HE LYS 5 -13.917 -6.260 4.667
44 HE3 LYS 5 2HE LYS 5 -12.762 -5.350 5.620
45 HZ1 LYS 5 1HZ LYS 5 -15.370 -4.355 4.611
46 HZ2 LYS 5 2HZ LYS 5 -14.945 -4.570 6.167
47 HZ3 LYS 5 3HZ LYS 5 -14.213 -3.410 5.277
48 H LEU 6 H LEU 6 -8.390 -6.873 3.810
49 HA LEU 6 HA LEU 6 -6.320 -7.649 2.206
50 HB2 LEU 6 1HB LEU 6 -7.074 -8.376 4.573
51 HB3 LEU 6 2HB LEU 6 -7.983 -9.623 3.742
52 HG LEU 6 HG LEU 6 -5.955 -10.622 4.402
53 HD11 LEU 6 1HD1 LEU 6 -5.099 -11.463 2.403
54 HD12 LEU 6 2HD1 LEU 6 -6.735 -10.916 1.966
55 HD13 LEU 6 3HD1 LEU 6 -5.322 -9.921 1.542
56 HD21 LEU 6 1HD2 LEU 6 -4.383 -9.118 5.010
57 HD22 LEU 6 2HD2 LEU 6 -3.761 -9.444 3.374
58 HD23 LEU 6 3HD2 LEU 6 -4.766 -8.006 3.674
59 H VAL 7 H VAL 7 -9.809 -8.261 1.853
60 HA VAL 7 HA VAL 7 -9.191 -9.843 -0.544
61 HB VAL 7 HB VAL 7 -11.613 -9.806 1.264
62 HG11 VAL 7 1HG1 VAL 7 -12.041 -10.083 -1.263
63 HG12 VAL 7 2HG1 VAL 7 -11.229 -11.656 -1.092
64 HG13 VAL 7 3HG1 VAL 7 -12.708 -11.314 -0.164
65 HG21 VAL 7 1HG2 VAL 7 -9.564 -11.972 0.686
66 HG22 VAL 7 2HG2 VAL 7 -9.699 -11.024 2.187
67 HG23 VAL 7 3HG2 VAL 7 -11.000 -12.146 1.723
68 HA PRO 8 HA PRO 8 -10.764 -6.411 -2.697
69 HB2 PRO 8 1HB PRO 8 -10.623 -7.438 -5.225
70 HB3 PRO 8 2HB PRO 8 -9.255 -6.705 -4.411
71 HG2 PRO 8 1HG PRO 8 -9.803 -9.568 -4.906
72 HG3 PRO 8 2HG PRO 8 -8.285 -8.797 -4.490
73 HD2 PRO 8 1HD PRO 8 -9.978 -10.308 -2.736
74 HD3 PRO 8 2HD PRO 8 -8.522 -9.440 -2.295
75 H ILE 9 H ILE 9 -12.673 -7.740 -1.291
76 HA ILE 9 HA ILE 9 -14.769 -7.924 -3.343
77 HB ILE 9 HB ILE 9 -14.175 -10.103 -2.345
78 HG12 ILE 9 1HG1 ILE 9 -16.570 -10.639 -1.585
79 HG13 ILE 9 2HG1 ILE 9 -16.928 -8.950 -1.878
80 HG21 ILE 9 1HG2 ILE 9 -13.537 -9.169 -0.102
81 HG22 ILE 9 2HG2 ILE 9 -15.274 -9.007 0.252
82 HG23 ILE 9 3HG2 ILE 9 -14.574 -10.615 -0.054
83 HD11 ILE 9 1HD1 ILE 9 -17.284 -10.696 -3.817
84 HD12 ILE 9 2HD1 ILE 9 -16.544 -9.121 -4.198
85 HD13 ILE 9 3HD1 ILE 9 -15.520 -10.566 -4.019
86 H ALA 10 H ALA 10 -13.799 -6.918 -0.034
87 HA ALA 10 HA ALA 10 -16.152 -5.153 -0.035
88 HB1 ALA 10 1HB ALA 10 -14.674 -6.418 2.309
89 HB2 ALA 10 2HB ALA 10 -16.060 -5.308 2.429
90 HB3 ALA 10 3HB ALA 10 -16.268 -6.914 1.688
91 H TYR 11 H TYR 11 -15.705 -3.007 -0.137
92 HA TYR 11 HA TYR 11 -13.158 -2.089 0.948
93 HB2 TYR 11 1HB TYR 11 -12.918 -0.758 -1.238
94 HB3 TYR 11 2HB TYR 11 -12.770 -2.489 -1.469
95 HD1 TYR 11 1HD TYR 11 -14.509 0.479 -2.455
96 HD2 TYR 11 2HD TYR 11 -14.885 -3.777 -2.231
97 HE1 TYR 11 1HE TYR 11 -16.369 0.544 -4.185
98 HE2 TYR 11 2HE TYR 11 -16.745 -3.696 -3.962
99 HH TYR 11 HH TYR 11 -17.346 -0.959 -5.834
100 H LYS 12 H LYS 12 -13.109 0.282 1.277
101 HA LYS 12 HA LYS 12 -15.753 1.518 1.174
102 HB2 LYS 12 1HB LYS 12 -14.874 0.409 3.505
103 HB3 LYS 12 2HB LYS 12 -14.219 2.027 3.655
104 HG2 LYS 12 1HG LYS 12 -16.356 2.347 4.546
105 HG3 LYS 12 2HG LYS 12 -16.636 2.793 2.875
106 HD2 LYS 12 1HD LYS 12 -18.422 1.291 3.511
107 HD3 LYS 12 2HD LYS 12 -17.375 0.405 2.421
108 HE2 LYS 12 1HE LYS 12 -17.311 -1.204 4.034
109 HE3 LYS 12 2HE LYS 12 -16.211 -0.140 4.888
110 HZ1 LYS 12 1HZ LYS 12 -17.900 -0.493 6.430
111 HZ2 LYS 12 2HZ LYS 12 -18.396 0.915 5.779
112 HZ3 LYS 12 3HZ LYS 12 -19.066 -0.494 5.283
113 H THR 13 H THR 13 -15.416 3.982 1.909
114 HA THR 13 HA THR 13 -13.321 4.949 0.149
115 HB THR 13 HB THR 13 -15.887 5.941 1.362
116 HG1 THR 13 1HG THR 13 -15.940 5.442 -0.838
117 HG21 THR 13 1HG2 THR 13 -14.915 8.233 0.216
118 HG22 THR 13 2HG2 THR 13 -14.878 7.943 1.972
119 HG23 THR 13 3HG2 THR 13 -13.431 7.622 0.986
120 H CYS 14 H CYS 14 -11.596 6.266 0.710
121 HA CYS 14 HA CYS 14 -11.128 6.400 3.601
122 HB2 CYS 14 1HB CYS 14 -9.261 5.678 1.352
123 HB3 CYS 14 2HB CYS 14 -8.628 6.418 2.808
124 HA PRO 15 HA PRO 15 -11.230 10.591 1.845
125 HB2 PRO 15 1HB PRO 15 -12.926 11.707 3.674
126 HB3 PRO 15 2HB PRO 15 -13.467 11.040 2.148
127 HG2 PRO 15 1HG PRO 15 -13.718 9.897 4.862
128 HG3 PRO 15 2HG PRO 15 -14.602 9.478 3.409
129 HD2 PRO 15 1HD PRO 15 -12.454 7.996 4.599
130 HD3 PRO 15 2HD PRO 15 -13.260 7.639 3.085
131 H GLU 16 H GLU 16 -11.134 9.760 5.265
132 HA GLU 16 HA GLU 16 -10.007 11.861 6.343
133 HB2 GLU 16 1HB GLU 16 -10.369 9.435 7.267
134 HB3 GLU 16 2HB GLU 16 -8.699 9.164 6.810
135 HG2 GLU 16 1HG GLU 16 -8.058 10.129 8.757
136 HG3 GLU 16 2HG GLU 16 -8.679 11.657 8.163
137 HE2 GLU 16 HE GLU 16 -11.471 11.570 10.199
138 H GLY 17 H GLY 17 -8.719 13.235 5.085
139 HA2 GLY 17 1HA GLY 17 -6.998 13.775 3.650
140 HA3 GLY 17 2HA GLY 17 -6.118 13.340 5.102
141 H LYS 18 H LYS 18 -7.909 11.265 2.721
142 HA LYS 18 HA LYS 18 -5.359 10.125 1.895
143 HB2 LYS 18 1HB LYS 18 -7.521 8.678 3.387
144 HB3 LYS 18 2HB LYS 18 -6.638 7.821 2.141
145 HG2 LYS 18 1HG LYS 18 -4.612 7.920 3.297
146 HG3 LYS 18 2HG LYS 18 -5.011 9.429 4.093
147 HD2 LYS 18 1HD LYS 18 -6.487 8.325 5.665
148 HD3 LYS 18 2HD LYS 18 -6.468 6.834 4.746
149 HE2 LYS 18 1HE LYS 18 -4.847 6.211 6.247
150 HE3 LYS 18 2HE LYS 18 -3.781 7.124 5.197
151 HZ1 LYS 18 1HZ LYS 18 -3.628 8.800 6.717
152 HZ2 LYS 18 2HZ LYS 18 -5.175 8.692 7.213
153 HZ3 LYS 18 3HZ LYS 18 -4.069 7.613 7.753
154 H ASN 19 H ASN 19 -5.322 9.574 -0.265
155 HA ASN 19 HA ASN 19 -7.871 9.400 -1.606
156 HB2 ASN 19 1HB ASN 19 -6.723 11.829 -1.652
157 HB3 ASN 19 2HB ASN 19 -5.708 11.101 -2.881
158 HD21 ASN 19 1HD2 ASN 19 -6.670 12.707 -4.266
159 HD22 ASN 19 2HD2 ASN 19 -8.192 12.408 -5.035
160 H LEU 20 H LEU 20 -5.338 7.758 -0.792
161 HA LEU 20 HA LEU 20 -4.985 6.534 -3.400
162 HB2 LEU 20 1HB LEU 20 -2.669 7.494 -1.713
163 HB3 LEU 20 2HB LEU 20 -2.534 6.431 -3.100
164 HG LEU 20 HG LEU 20 -3.660 9.241 -3.227
165 HD11 LEU 20 1HD1 LEU 20 -1.433 9.603 -2.640
166 HD12 LEU 20 2HD1 LEU 20 -0.852 8.214 -3.588
167 HD13 LEU 20 3HD1 LEU 20 -1.418 9.683 -4.417
168 HD21 LEU 20 1HD2 LEU 20 -2.576 8.169 -5.688
169 HD22 LEU 20 2HD2 LEU 20 -3.856 7.117 -5.038
170 HD23 LEU 20 3HD2 LEU 20 -4.189 8.839 -5.345
171 H CYS 21 H CYS 21 -4.223 4.302 -3.241
172 HA CYS 21 HA CYS 21 -4.592 3.253 -0.529
173 HB2 CYS 21 1HB CYS 21 -5.340 1.712 -3.018
174 HB3 CYS 21 2HB CYS 21 -5.791 1.390 -1.355
175 H TYR 22 H TYR 22 -3.299 1.277 -0.077
176 HA TYR 22 HA TYR 22 -1.175 0.737 -2.003
177 HB2 TYR 22 1HB TYR 22 0.514 1.240 -0.328
178 HB3 TYR 22 2HB TYR 22 -0.614 2.576 -0.207
179 HD1 TYR 22 1HD TYR 22 -1.513 3.142 1.875
180 HD2 TYR 22 2HD TYR 22 0.082 -0.786 1.296
181 HE1 TYR 22 1HE TYR 22 -1.829 2.641 4.347
182 HE2 TYR 22 2HE TYR 22 -0.239 -1.273 3.771
183 HH TYR 22 HH TYR 22 -1.248 -0.586 5.621
184 H LYS 23 H LYS 23 -0.120 -1.325 -1.669
185 HA LYS 23 HA LYS 23 -1.382 -3.013 0.355
186 HB2 LYS 23 1HB LYS 23 -1.662 -4.817 -1.326
187 HB3 LYS 23 2HB LYS 23 -2.701 -3.434 -1.607
188 HG2 LYS 23 1HG LYS 23 -0.041 -3.299 -2.957
189 HG3 LYS 23 2HG LYS 23 -1.092 -4.582 -3.526
190 HD2 LYS 23 1HD LYS 23 -2.701 -2.207 -3.236
191 HD3 LYS 23 2HD LYS 23 -1.244 -1.753 -4.097
192 HE2 LYS 23 1HE LYS 23 -2.593 -4.302 -4.957
193 HE3 LYS 23 2HE LYS 23 -3.409 -2.802 -5.349
194 HZ1 LYS 23 1HZ LYS 23 -0.747 -2.400 -6.001
195 HZ2 LYS 23 2HZ LYS 23 -1.084 -3.894 -6.555
196 HZ3 LYS 23 3HZ LYS 23 -2.016 -2.628 -7.008
197 H MET 24 H MET 24 0.091 -4.210 1.461
198 HA MET 24 HA MET 24 2.803 -4.076 0.452
199 HB2 MET 24 1HB MET 24 1.473 -4.490 3.146
200 HB3 MET 24 2HB MET 24 3.087 -5.138 2.930
201 HG2 MET 24 1HG MET 24 3.907 -2.878 2.232
202 HG3 MET 24 2HG MET 24 2.292 -2.227 2.430
203 HE1 MET 24 1HE MET 24 0.926 -2.842 4.336
204 HE2 MET 24 2HE MET 24 1.513 -3.719 5.769
205 HE3 MET 24 3HE MET 24 1.432 -1.940 5.784
206 H PHE 25 H PHE 25 3.863 -5.851 -0.356
207 HA PHE 25 HA PHE 25 2.508 -8.429 0.011
208 HB2 PHE 25 1HB PHE 25 4.357 -7.296 -2.174
209 HB3 PHE 25 2HB PHE 25 3.748 -8.939 -2.183
210 HD1 PHE 25 1HD PHE 25 2.951 -5.447 -2.801
211 HD2 PHE 25 2HD PHE 25 1.359 -9.376 -2.598
212 HE1 PHE 25 1HE PHE 25 0.904 -4.682 -4.037
213 HE2 PHE 25 2HE PHE 25 -0.687 -8.611 -3.834
214 HZ PHE 25 HZ PHE 25 -0.891 -6.273 -4.538
215 H MET 26 H MET 26 3.755 -10.281 0.528
216 HA MET 26 HA MET 26 6.194 -9.624 1.869
217 HB2 MET 26 1HB MET 26 4.116 -11.506 2.196
218 HB3 MET 26 2HB MET 26 5.451 -12.492 1.634
219 HG2 MET 26 1HG MET 26 6.908 -11.438 3.438
220 HG3 MET 26 2HG MET 26 5.485 -10.615 4.046
221 HE1 MET 26 1HE MET 26 3.875 -12.940 6.284
222 HE2 MET 26 2HE MET 26 5.300 -11.911 6.562
223 HE3 MET 26 3HE MET 26 3.988 -11.348 5.497
224 H MET 27 H MET 27 8.286 -10.184 1.253
225 HA MET 27 HA MET 27 9.929 -10.819 -0.020
226 HB2 MET 27 1HB MET 27 7.859 -12.949 -0.554
227 HB3 MET 27 2HB MET 27 9.214 -12.898 -1.663
228 HG2 MET 27 1HG MET 27 10.781 -13.456 -0.007
229 HG3 MET 27 2HG MET 27 9.827 -12.764 1.288
230 HE1 MET 27 1HE MET 27 8.234 -15.611 2.857
231 HE2 MET 27 2HE MET 27 9.906 -15.007 2.959
232 HE3 MET 27 3HE MET 27 8.555 -13.862 2.775
233 H SER 28 H SER 28 7.206 -11.599 -2.299
234 HA SER 28 HA SER 28 8.263 -9.479 -3.999
235 HB2 SER 28 1HB SER 28 7.392 -12.295 -4.723
236 HB3 SER 28 2HB SER 28 7.369 -11.019 -5.922
237 HG SER 28 HG SER 28 9.760 -10.824 -4.730
238 H ASP 29 H ASP 29 6.557 -8.676 -5.632
239 HA ASP 29 HA ASP 29 4.124 -8.324 -4.170
240 HB2 ASP 29 1HB ASP 29 3.691 -6.960 -6.473
241 HB3 ASP 29 2HB ASP 29 4.608 -6.294 -5.137
242 HD2 ASP 29 HD ASP 29 6.131 -6.315 -8.571
243 H LEU 30 H LEU 30 5.396 -9.903 -7.128
244 HA LEU 30 HA LEU 30 3.196 -10.388 -8.600
245 HB2 LEU 30 1HB LEU 30 5.654 -11.975 -8.000
246 HB3 LEU 30 2HB LEU 30 4.380 -12.719 -8.944
247 HG LEU 30 HG LEU 30 5.786 -10.126 -9.644
248 HD11 LEU 30 1HD1 LEU 30 6.330 -12.972 -10.313
249 HD12 LEU 30 2HD1 LEU 30 6.478 -11.784 -11.630
250 HD13 LEU 30 3HD1 LEU 30 7.441 -11.592 -10.146
251 HD21 LEU 30 1HD2 LEU 30 3.416 -11.510 -10.758
252 HD22 LEU 30 2HD2 LEU 30 3.870 -9.790 -10.785
253 HD23 LEU 30 3HD2 LEU 30 4.611 -10.923 -11.940
254 H THR 31 H THR 31 4.211 -12.142 -5.610
255 HA THR 31 HA THR 31 1.970 -13.909 -5.710
256 HB THR 31 HB THR 31 2.860 -14.566 -3.464
257 HG1 THR 31 1HG THR 31 4.350 -13.139 -2.510
258 HG21 THR 31 1HG2 THR 31 4.173 -15.064 -5.753
259 HG22 THR 31 2HG2 THR 31 5.353 -13.927 -5.057
260 HG23 THR 31 3HG2 THR 31 4.932 -15.420 -4.183
261 H ILE 32 H ILE 32 0.506 -14.055 -3.656
262 HA ILE 32 HA ILE 32 -1.140 -11.805 -3.732
263 HB ILE 32 HB ILE 32 -1.101 -14.429 -2.536
264 HG12 ILE 32 1HG1 ILE 32 -3.647 -12.964 -2.733
265 HG13 ILE 32 2HG1 ILE 32 -2.707 -12.952 -4.212
266 HG21 ILE 32 1HG2 ILE 32 -0.954 -13.472 -0.386
267 HG22 ILE 32 2HG2 ILE 32 -2.069 -12.150 -0.806
268 HG23 ILE 32 3HG2 ILE 32 -2.681 -13.813 -0.646
269 HD11 ILE 32 1HD1 ILE 32 -3.708 -14.986 -4.558
270 HD12 ILE 32 2HD1 ILE 32 -2.417 -15.582 -3.488
271 HD13 ILE 32 3HD1 ILE 32 -4.031 -15.232 -2.825
272 HA PRO 33 HA PRO 33 0.639 -9.226 -0.763
273 HB2 PRO 33 1HB PRO 33 -1.504 -7.695 -0.035
274 HB3 PRO 33 2HB PRO 33 -0.581 -7.418 -1.499
275 HG2 PRO 33 1HG PRO 33 -3.262 -8.626 -1.200
276 HG3 PRO 33 2HG PRO 33 -2.513 -7.958 -2.636
277 HD2 PRO 33 1HD PRO 33 -2.825 -10.738 -1.996
278 HD3 PRO 33 2HD PRO 33 -1.975 -10.069 -3.375
279 H VAL 34 H VAL 34 0.549 -8.387 1.537
280 HA VAL 34 HA VAL 34 -0.509 -10.618 3.123
281 HB VAL 34 HB VAL 34 1.177 -9.747 4.813
282 HG11 VAL 34 1HG1 VAL 34 2.245 -10.844 2.189
283 HG12 VAL 34 2HG1 VAL 34 3.032 -10.961 3.781
284 HG13 VAL 34 3HG1 VAL 34 1.493 -11.804 3.487
285 HG21 VAL 34 1HG2 VAL 34 2.929 -8.316 4.141
286 HG22 VAL 34 2HG2 VAL 34 2.477 -8.426 2.422
287 HG23 VAL 34 3HG2 VAL 34 1.442 -7.529 3.560
288 H LYS 35 H LYS 35 -0.296 -7.055 2.757
289 HA LYS 35 HA LYS 35 -2.768 -6.799 4.188
290 HB2 LYS 35 1HB LYS 35 -0.170 -6.108 5.471
291 HB3 LYS 35 2HB LYS 35 -1.470 -4.945 5.646
292 HG2 LYS 35 1HG LYS 35 -2.592 -7.568 6.062
293 HG3 LYS 35 2HG LYS 35 -1.124 -7.469 7.012
294 HD2 LYS 35 1HD LYS 35 -2.510 -6.466 8.549
295 HD3 LYS 35 2HD LYS 35 -2.166 -5.028 7.608
296 HE2 LYS 35 1HE LYS 35 -4.224 -5.329 6.290
297 HE3 LYS 35 2HE LYS 35 -4.536 -6.875 7.055
298 HZ1 LYS 35 1HZ LYS 35 -5.791 -4.990 8.058
299 HZ2 LYS 35 2HZ LYS 35 -4.867 -5.761 9.156
300 HZ3 LYS 35 3HZ LYS 35 -4.360 -4.342 8.517
301 H ARG 36 H ARG 36 -3.342 -4.315 4.275
302 HA ARG 36 HA ARG 36 -1.989 -2.715 2.400
303 HB2 ARG 36 1HB ARG 36 -3.961 -2.503 0.799
304 HB3 ARG 36 2HB ARG 36 -3.132 -4.046 0.718
305 HG2 ARG 36 1HG ARG 36 -4.852 -5.082 2.175
306 HG3 ARG 36 2HG ARG 36 -5.657 -3.535 2.364
307 HD2 ARG 36 1HD ARG 36 -6.933 -4.295 0.601
308 HD3 ARG 36 2HD ARG 36 -5.614 -3.659 -0.360
309 HE ARG 36 HE ARG 36 -4.789 -6.243 0.265
310 HH11 ARG 36 1HH ARG 36 -6.470 -8.142 -2.109
311 HH12 ARG 36 2HH1 ARG 36 -5.175 -8.049 -1.020
312 HH21 ARG 36 1HH2 ARG 36 -7.947 -6.261 -2.276
313 HH22 ARG 36 2HH2 ARG 36 -7.660 -4.866 -1.290
314 H GLY 37 H GLY 37 -3.308 -0.571 2.048
315 HA2 GLY 37 1HA GLY 37 -5.510 -0.014 3.752
316 HA3 GLY 37 2HA GLY 37 -4.014 0.517 4.493
317 H CYS 38 H CYS 38 -5.541 2.593 4.062
318 HA CYS 38 HA CYS 38 -5.108 3.586 1.372
319 HB2 CYS 38 1HB CYS 38 -6.518 5.087 3.578
320 HB3 CYS 38 2HB CYS 38 -6.703 5.254 1.843
321 H ILE 39 H ILE 39 -4.192 5.869 1.162
322 HA ILE 39 HA ILE 39 -2.727 6.948 3.334
323 HB ILE 39 HB ILE 39 -1.356 4.939 2.706
324 HG12 ILE 39 1HG1 ILE 39 0.402 7.261 2.174
325 HG13 ILE 39 2HG1 ILE 39 -0.619 7.410 3.591
326 HG21 ILE 39 1HG2 ILE 39 -1.397 6.343 0.093
327 HG22 ILE 39 2HG2 ILE 39 0.164 5.660 0.608
328 HG23 ILE 39 3HG2 ILE 39 -1.267 4.609 0.471
329 HD11 ILE 39 1HD1 ILE 39 1.258 6.315 4.475
330 HD12 ILE 39 2HD1 ILE 39 0.188 4.940 4.110
331 HD13 ILE 39 3HD1 ILE 39 1.516 5.353 2.999
332 H ASP 40 H ASP 40 -1.337 8.863 2.496
333 HA ASP 40 HA ASP 40 -2.857 10.021 0.306
334 HB2 ASP 40 1HB ASP 40 -2.930 11.243 2.462
335 HB3 ASP 40 2HB ASP 40 -1.179 11.302 2.514
336 HD2 ASP 40 HD ASP 40 -1.708 13.715 2.629
337 H VAL 41 H VAL 41 0.346 9.085 1.531
338 HA VAL 41 HA VAL 41 1.490 9.822 -1.057
339 HB VAL 41 HB VAL 41 2.607 10.481 1.672
340 HG11 VAL 41 1HG1 VAL 41 4.259 11.493 -0.425
341 HG12 VAL 41 2HG1 VAL 41 4.676 10.332 0.858
342 HG13 VAL 41 3HG1 VAL 41 4.031 9.748 -0.696
343 HG21 VAL 41 1HG2 VAL 41 2.066 12.631 1.277
344 HG22 VAL 41 2HG2 VAL 41 2.528 12.537 -0.440
345 HG23 VAL 41 3HG2 VAL 41 0.929 11.958 0.084
346 H CYS 42 H CYS 42 2.697 8.197 -1.948
347 HA CYS 42 HA CYS 42 2.617 5.676 -0.743
348 HB2 CYS 42 1HB CYS 42 2.778 6.287 -3.244
349 HB3 CYS 42 2HB CYS 42 4.503 6.445 -2.978
350 HA PRO 43 HA PRO 43 6.154 6.305 1.796
351 HB2 PRO 43 1HB PRO 43 6.066 3.920 3.128
352 HB3 PRO 43 2HB PRO 43 5.139 5.326 3.617
353 HG2 PRO 43 1HG PRO 43 4.208 2.873 2.254
354 HG3 PRO 43 2HG PRO 43 3.267 4.073 3.119
355 HD2 PRO 43 1HD PRO 43 3.483 3.783 0.273
356 HD3 PRO 43 2HD PRO 43 2.638 5.052 1.136
357 H LYS 44 H LYS 44 8.260 5.157 2.394
358 HA LYS 44 HA LYS 44 9.352 4.332 -0.107
359 HB2 LYS 44 1HB LYS 44 10.635 4.358 2.640
360 HB3 LYS 44 2HB LYS 44 11.461 4.267 1.097
361 HG2 LYS 44 1HG LYS 44 10.543 6.503 0.465
362 HG3 LYS 44 2HG LYS 44 9.694 6.593 1.996
363 HD2 LYS 44 1HD LYS 44 12.709 6.188 1.886
364 HD3 LYS 44 2HD LYS 44 12.004 7.791 1.811
365 HE2 LYS 44 1HE LYS 44 10.980 6.025 4.004
366 HE3 LYS 44 2HE LYS 44 12.652 6.528 4.154
367 HZ1 LYS 44 1HZ LYS 44 10.588 8.541 3.532
368 HZ2 LYS 44 2HZ LYS 44 10.805 8.066 5.075
369 HZ3 LYS 44 3HZ LYS 44 12.054 8.711 4.239
370 H ASN 45 H ASN 45 9.611 2.301 -0.901
371 HA ASN 45 HA ASN 45 8.406 0.192 0.522
372 HB2 ASN 45 1HB ASN 45 8.342 0.294 -1.953
373 HB3 ASN 45 2HB ASN 45 10.092 0.246 -2.036
374 HD21 ASN 45 1HD2 ASN 45 10.600 -1.612 -2.928
375 HD22 ASN 45 2HD2 ASN 45 10.066 -3.183 -2.436
376 H SER 46 H SER 46 9.682 -2.002 0.775
377 HA SER 46 HA SER 46 12.429 -1.407 1.551
378 HB2 SER 46 1HB SER 46 12.199 -2.785 3.526
379 HB3 SER 46 2HB SER 46 10.884 -1.627 3.531
380 HG SER 46 HG SER 46 10.512 -4.114 3.904
381 H LEU 47 H LEU 47 13.319 -3.961 2.197
382 HA LEU 47 HA LEU 47 13.047 -5.300 -0.386
383 HB2 LEU 47 1HB LEU 47 15.113 -6.126 1.569
384 HB3 LEU 47 2HB LEU 47 15.189 -6.002 -0.177
385 HG LEU 47 HG LEU 47 15.068 -3.519 1.526
386 HD11 LEU 47 1HD1 LEU 47 16.937 -4.275 2.551
387 HD12 LEU 47 2HD1 LEU 47 17.335 -5.416 1.244
388 HD13 LEU 47 3HD1 LEU 47 17.707 -3.685 1.060
389 HD21 LEU 47 1HD2 LEU 47 15.534 -2.393 -0.356
390 HD22 LEU 47 2HD2 LEU 47 16.701 -3.611 -0.925
391 HD23 LEU 47 3HD2 LEU 47 14.956 -3.863 -1.175
392 H LEU 48 H LEU 48 11.904 -5.404 2.832
393 HA LEU 48 HA LEU 48 11.715 -8.286 2.923
394 HB2 LEU 48 1HB LEU 48 11.280 -6.017 4.768
395 HB3 LEU 48 2HB LEU 48 10.234 -7.403 5.005
396 HG LEU 48 HG LEU 48 12.213 -7.489 6.441
397 HD11 LEU 48 1HD1 LEU 48 11.212 -9.557 4.826
398 HD12 LEU 48 2HD1 LEU 48 12.981 -9.749 4.817
399 HD13 LEU 48 3HD1 LEU 48 12.099 -9.704 6.362
400 HD21 LEU 48 1HD2 LEU 48 13.791 -6.271 5.053
401 HD22 LEU 48 2HD2 LEU 48 14.453 -7.863 5.494
402 HD23 LEU 48 3HD2 LEU 48 13.800 -7.592 3.860
403 H VAL 49 H VAL 49 9.465 -5.441 2.774
404 HA VAL 49 HA VAL 49 7.534 -7.261 1.512
405 HB VAL 49 HB VAL 49 6.690 -4.863 3.092
406 HG11 VAL 49 1HG1 VAL 49 4.671 -6.215 3.453
407 HG12 VAL 49 2HG1 VAL 49 5.041 -6.056 1.718
408 HG13 VAL 49 3HG1 VAL 49 5.415 -7.572 2.573
409 HG21 VAL 49 1HG2 VAL 49 6.381 -6.814 4.944
410 HG22 VAL 49 2HG2 VAL 49 7.906 -7.339 4.191
411 HG23 VAL 49 3HG2 VAL 49 7.776 -5.709 4.895
412 H LYS 50 H LYS 50 6.539 -6.529 -0.367
413 HA LYS 50 HA LYS 50 7.798 -4.202 -1.545
414 HB2 LYS 50 1HB LYS 50 7.653 -6.333 -2.788
415 HB3 LYS 50 2HB LYS 50 5.904 -6.254 -2.728
416 HG2 LYS 50 1HG LYS 50 6.272 -5.264 -4.804
417 HG3 LYS 50 2HG LYS 50 6.268 -3.835 -3.789
418 HD2 LYS 50 1HD LYS 50 8.791 -4.012 -3.610
419 HD3 LYS 50 2HD LYS 50 8.743 -5.357 -4.732
420 HE2 LYS 50 1HE LYS 50 7.295 -2.901 -5.633
421 HE3 LYS 50 2HE LYS 50 9.033 -2.731 -5.494
422 HZ1 LYS 50 1HZ LYS 50 7.515 -4.426 -7.319
423 HZ2 LYS 50 2HZ LYS 50 8.911 -3.631 -7.581
424 HZ3 LYS 50 3HZ LYS 50 8.916 -5.023 -6.721
425 H TYR 51 H TYR 51 6.801 -2.260 -1.975
426 HA TYR 51 HA TYR 51 4.088 -2.007 -0.886
427 HB2 TYR 51 1HB TYR 51 6.558 -0.253 -1.302
428 HB3 TYR 51 2HB TYR 51 4.997 0.528 -1.149
429 HD1 TYR 51 1HD TYR 51 5.758 1.707 0.874
430 HD2 TYR 51 2HD TYR 51 5.625 -2.566 0.714
431 HE1 TYR 51 1HE TYR 51 5.954 1.599 3.407
432 HE2 TYR 51 2HE TYR 51 5.822 -2.660 3.247
433 HH TYR 51 HH TYR 51 5.596 -1.437 5.114
434 H VAL 52 H VAL 52 2.403 -1.576 -2.228
435 HA VAL 52 HA VAL 52 3.060 -0.461 -4.861
436 HB VAL 52 HB VAL 52 0.911 -2.523 -4.487
437 HG11 VAL 52 1HG1 VAL 52 1.451 -2.940 -6.910
438 HG12 VAL 52 2HG1 VAL 52 0.816 -1.314 -6.557
439 HG13 VAL 52 3HG1 VAL 52 2.557 -1.547 -6.841
440 HG21 VAL 52 1HG2 VAL 52 2.886 -3.619 -3.618
441 HG22 VAL 52 2HG2 VAL 52 2.535 -4.256 -5.243
442 HG23 VAL 52 3HG2 VAL 52 3.849 -3.077 -5.014
443 H CYS 53 H CYS 53 2.130 1.511 -4.986
444 HA CYS 53 HA CYS 53 -0.288 1.932 -3.411
445 HB2 CYS 53 1HB CYS 53 1.626 3.934 -4.654
446 HB3 CYS 53 2HB CYS 53 0.177 4.354 -3.763
447 H CYS 54 H CYS 54 -1.996 3.365 -4.531
448 HA CYS 54 HA CYS 54 -1.929 3.307 -7.401
449 HB2 CYS 54 1HB CYS 54 -4.282 2.155 -7.361
450 HB3 CYS 54 2HB CYS 54 -2.823 1.183 -7.370
451 H ASN 55 H ASN 55 -4.205 4.293 -8.170
452 HA ASN 55 HA ASN 55 -5.165 6.099 -6.109
453 HB2 ASN 55 1HB ASN 55 -5.018 8.023 -7.598
454 HB3 ASN 55 2HB ASN 55 -3.442 7.256 -7.599
455 HD21 ASN 55 1HD2 ASN 55 -5.001 8.926 -9.562
456 HD22 ASN 55 2HD2 ASN 55 -4.935 8.069 -11.065
457 H THR 56 H THR 56 -6.099 3.560 -7.567
458 HA THR 56 HA THR 56 -8.562 4.694 -8.717
459 HB THR 56 HB THR 56 -8.458 2.549 -10.184
460 HG1 THR 56 1HG THR 56 -6.535 1.420 -9.962
461 HG21 THR 56 1HG2 THR 56 -7.154 3.597 -11.861
462 HG22 THR 56 2HG2 THR 56 -7.635 4.989 -10.860
463 HG23 THR 56 3HG2 THR 56 -6.012 4.278 -10.677
464 H ASP 57 H ASP 57 -10.505 3.753 -8.139
465 HA ASP 57 HA ASP 57 -10.575 2.615 -5.641
466 HB2 ASP 57 1HB ASP 57 -12.704 2.243 -7.790
467 HB3 ASP 57 2HB ASP 57 -12.951 2.280 -6.056
468 HD2 ASP 57 HD ASP 57 -12.084 5.824 -6.157
469 H ARG 58 H ARG 58 -10.663 0.422 -4.933
470 HA ARG 58 HA ARG 58 -10.507 -1.733 -4.981
471 HB2 ARG 58 1HB ARG 58 -11.394 -1.804 -7.897
472 HB3 ARG 58 2HB ARG 58 -11.626 -3.043 -6.680
473 HG2 ARG 58 1HG ARG 58 -13.051 -1.324 -5.383
474 HG3 ARG 58 2HG ARG 58 -12.987 -0.319 -6.816
475 HD2 ARG 58 1HD ARG 58 -15.050 -1.689 -6.817
476 HD3 ARG 58 2HD ARG 58 -14.025 -2.133 -8.166
477 HE ARG 58 HE ARG 58 -13.614 -3.724 -5.714
478 HH11 ARG 58 1HH ARG 58 -14.867 -6.626 -7.153
479 HH12 ARG 58 2HH1 ARG 58 -14.044 -5.928 -5.845
480 HH21 ARG 58 1HH2 ARG 58 -15.595 -5.194 -8.930
481 HH22 ARG 58 2HH2 ARG 58 -15.269 -3.495 -8.839
482 H CYS 59 H CYS 59 -8.299 0.063 -5.937
483 HA CYS 59 HA CYS 59 -6.985 -1.298 -8.054
484 HB2 CYS 59 1HB CYS 59 -5.083 0.200 -7.508
485 HB3 CYS 59 2HB CYS 59 -6.586 1.062 -7.761
486 H ASN 60 H ASN 60 -7.371 -1.697 -4.603
487 HA ASN 60 HA ASN 60 -5.115 -3.544 -4.610
488 HB2 ASN 60 1HB ASN 60 -4.954 -3.192 -2.181
489 HB3 ASN 60 2HB ASN 60 -4.946 -1.627 -2.969
490 HD21 ASN 60 1HD2 ASN 60 -5.537 -1.470 -0.473
491 HD22 ASN 60 2HD2 ASN 60 -7.225 -1.255 -0.146
492 H1 HOH 101 1H HOH 61 3.602 -12.416 -1.052
493 H2 HOH 101 2H HOH 61 2.407 -12.560 -0.136
Start of MODEL 6
1 H1 LEU 1 H LEU 1 -10.675 8.906 -2.748
2 HA LEU 1 HA LEU 1 -11.134 6.773 -4.276
3 HB2 LEU 1 1HB LEU 1 -8.988 7.980 -3.928
4 HB3 LEU 1 2HB LEU 1 -8.747 7.070 -2.450
5 HG LEU 1 HG LEU 1 -8.867 4.958 -3.871
6 HD11 LEU 1 1HD1 LEU 1 -8.346 5.217 -6.269
7 HD12 LEU 1 2HD1 LEU 1 -9.947 5.868 -5.840
8 HD13 LEU 1 3HD1 LEU 1 -8.581 6.975 -6.115
9 HD21 LEU 1 1HD2 LEU 1 -6.779 5.882 -2.951
10 HD22 LEU 1 2HD2 LEU 1 -6.535 5.102 -4.532
11 HD23 LEU 1 3HD2 LEU 1 -6.585 6.877 -4.414
12 H LYS 2 H LYS 2 -11.769 4.672 -4.099
13 HA LYS 2 HA LYS 2 -12.301 3.739 -1.390
14 HB2 LYS 2 1HB LYS 2 -13.251 2.708 -4.081
15 HB3 LYS 2 2HB LYS 2 -13.721 2.059 -2.523
16 HG2 LYS 2 1HG LYS 2 -14.469 4.494 -1.939
17 HG3 LYS 2 2HG LYS 2 -14.329 4.817 -3.656
18 HD2 LYS 2 1HD LYS 2 -15.788 2.502 -3.746
19 HD3 LYS 2 2HD LYS 2 -16.323 3.123 -2.198
20 HE2 LYS 2 1HE LYS 2 -17.842 4.036 -3.819
21 HE3 LYS 2 2HE LYS 2 -16.790 5.361 -3.363
22 HZ1 LYS 2 1HZ LYS 2 -15.398 4.533 -5.391
23 HZ2 LYS 2 2HZ LYS 2 -16.785 3.828 -5.873
24 HZ3 LYS 2 3HZ LYS 2 -16.741 5.442 -5.610
25 H CYS 3 H CYS 3 -11.024 2.272 -0.397
26 HA CYS 3 HA CYS 3 -9.177 0.797 -2.131
27 HB2 CYS 3 1HB CYS 3 -8.602 1.425 0.766
28 HB3 CYS 3 2HB CYS 3 -7.488 0.929 -0.491
29 H ASN 4 H ASN 4 -8.923 -1.465 -1.660
30 HA ASN 4 HA ASN 4 -11.174 -2.539 -0.247
31 HB2 ASN 4 1HB ASN 4 -8.933 -4.160 -1.528
32 HB3 ASN 4 2HB ASN 4 -10.607 -4.628 -1.304
33 HD21 ASN 4 1HD2 ASN 4 -9.404 -4.889 -3.726
34 HD22 ASN 4 2HD2 ASN 4 -10.056 -3.770 -4.876
35 H LYS 5 H LYS 5 -10.669 -4.566 1.228
36 HA LYS 5 HA LYS 5 -8.557 -3.767 3.055
37 HB2 LYS 5 1HB LYS 5 -10.613 -5.946 3.460
38 HB3 LYS 5 2HB LYS 5 -9.671 -5.106 4.675
39 HG2 LYS 5 1HG LYS 5 -11.247 -3.486 4.833
40 HG3 LYS 5 2HG LYS 5 -11.082 -3.118 3.127
41 HD2 LYS 5 1HD LYS 5 -12.622 -5.116 2.650
42 HD3 LYS 5 2HD LYS 5 -12.905 -5.224 4.375
43 HE2 LYS 5 1HE LYS 5 -13.243 -2.477 3.310
44 HE3 LYS 5 2HE LYS 5 -14.349 -3.632 2.596
45 HZ1 LYS 5 1HZ LYS 5 -13.990 -3.545 5.527
46 HZ2 LYS 5 2HZ LYS 5 -15.027 -2.524 4.797
47 HZ3 LYS 5 3HZ LYS 5 -15.226 -4.141 4.635
48 H LEU 6 H LEU 6 -8.385 -6.579 4.124
49 HA LEU 6 HA LEU 6 -6.084 -7.355 2.841
50 HB2 LEU 6 1HB LEU 6 -6.869 -8.025 5.097
51 HB3 LEU 6 2HB LEU 6 -8.029 -9.106 4.350
52 HG LEU 6 HG LEU 6 -5.645 -9.884 3.180
53 HD11 LEU 6 1HD1 LEU 6 -4.994 -9.611 6.104
54 HD12 LEU 6 2HD1 LEU 6 -3.919 -9.965 4.731
55 HD13 LEU 6 3HD1 LEU 6 -4.577 -8.325 4.946
56 HD21 LEU 6 1HD2 LEU 6 -7.578 -10.925 5.097
57 HD22 LEU 6 2HD2 LEU 6 -6.736 -11.737 3.757
58 HD23 LEU 6 3HD2 LEU 6 -5.946 -11.591 5.345
59 H VAL 7 H VAL 7 -9.504 -8.158 2.139
60 HA VAL 7 HA VAL 7 -8.556 -9.738 -0.147
61 HB VAL 7 HB VAL 7 -11.180 -9.715 1.355
62 HG11 VAL 7 1HG1 VAL 7 -12.087 -11.240 -0.161
63 HG12 VAL 7 2HG1 VAL 7 -11.250 -10.078 -1.218
64 HG13 VAL 7 3HG1 VAL 7 -10.500 -11.651 -0.855
65 HG21 VAL 7 1HG2 VAL 7 -9.037 -11.850 1.083
66 HG22 VAL 7 2HG2 VAL 7 -9.355 -10.861 2.528
67 HG23 VAL 7 3HG2 VAL 7 -10.578 -12.022 1.956
68 HA PRO 8 HA PRO 8 -9.953 -6.460 -2.623
69 HB2 PRO 8 1HB PRO 8 -9.656 -7.635 -5.073
70 HB3 PRO 8 2HB PRO 8 -8.334 -6.880 -4.205
71 HG2 PRO 8 1HG PRO 8 -8.906 -9.756 -4.575
72 HG3 PRO 8 2HG PRO 8 -7.404 -8.987 -4.096
73 HD2 PRO 8 1HD PRO 8 -9.249 -10.366 -2.385
74 HD3 PRO 8 2HD PRO 8 -7.808 -9.499 -1.891
75 H ILE 9 H ILE 9 -11.984 -7.676 -1.284
76 HA ILE 9 HA ILE 9 -13.939 -7.900 -3.464
77 HB ILE 9 HB ILE 9 -13.476 -10.073 -2.431
78 HG12 ILE 9 1HG1 ILE 9 -15.961 -10.416 -1.607
79 HG13 ILE 9 2HG1 ILE 9 -16.175 -8.781 -2.198
80 HG21 ILE 9 1HG2 ILE 9 -14.002 -10.551 -0.136
81 HG22 ILE 9 2HG2 ILE 9 -12.842 -9.202 -0.189
82 HG23 ILE 9 3HG2 ILE 9 -14.563 -8.883 0.133
83 HD11 ILE 9 1HD1 ILE 9 -16.154 -11.169 -3.732
84 HD12 ILE 9 2HD1 ILE 9 -16.207 -9.499 -4.345
85 HD13 ILE 9 3HD1 ILE 9 -14.642 -10.320 -4.137
86 H ALA 10 H ALA 10 -13.293 -6.993 -0.027
87 HA ALA 10 HA ALA 10 -15.619 -5.209 -0.193
88 HB1 ALA 10 1HB ALA 10 -15.493 -5.236 2.292
89 HB2 ALA 10 2HB ALA 10 -15.714 -6.865 1.610
90 HB3 ALA 10 3HB ALA 10 -14.111 -6.355 2.192
91 H TYR 11 H TYR 11 -15.342 -3.003 -0.053
92 HA TYR 11 HA TYR 11 -12.758 -1.995 0.819
93 HB2 TYR 11 1HB TYR 11 -12.767 -0.591 -1.353
94 HB3 TYR 11 2HB TYR 11 -12.481 -2.301 -1.612
95 HD1 TYR 11 1HD TYR 11 -14.789 0.480 -2.148
96 HD2 TYR 11 2HD TYR 11 -14.255 -3.742 -2.579
97 HE1 TYR 11 1HE TYR 11 -16.746 0.391 -3.769
98 HE2 TYR 11 2HE TYR 11 -16.213 -3.818 -4.197
99 HH TYR 11 HH TYR 11 -18.440 -1.980 -4.415
100 H LYS 12 H LYS 12 -12.834 0.175 1.559
101 HA LYS 12 HA LYS 12 -15.534 1.331 1.576
102 HB2 LYS 12 1HB LYS 12 -15.250 2.009 3.851
103 HB3 LYS 12 2HB LYS 12 -14.935 0.289 3.757
104 HG2 LYS 12 1HG LYS 12 -12.625 0.544 4.095
105 HG3 LYS 12 2HG LYS 12 -12.596 2.169 3.439
106 HD2 LYS 12 1HD LYS 12 -12.319 2.493 5.778
107 HD3 LYS 12 2HD LYS 12 -14.008 2.868 5.499
108 HE2 LYS 12 1HE LYS 12 -14.035 0.095 5.951
109 HE3 LYS 12 2HE LYS 12 -12.816 0.672 7.070
110 HZ1 LYS 12 1HZ LYS 12 -14.792 0.949 8.248
111 HZ2 LYS 12 2HZ LYS 12 -14.600 2.448 7.643
112 HZ3 LYS 12 3HZ LYS 12 -15.625 1.400 6.915
113 H THR 13 H THR 13 -15.420 3.780 2.106
114 HA THR 13 HA THR 13 -13.457 4.898 0.289
115 HB THR 13 HB THR 13 -16.090 5.662 1.524
116 HG1 THR 13 1HG THR 13 -16.335 6.183 -0.742
117 HG21 THR 13 1HG2 THR 13 -13.837 7.586 0.945
118 HG22 THR 13 2HG2 THR 13 -15.458 8.012 0.346
119 HG23 THR 13 3HG2 THR 13 -15.193 7.751 2.087
120 H CYS 14 H CYS 14 -11.675 6.041 0.799
121 HA CYS 14 HA CYS 14 -11.330 6.611 3.654
122 HB2 CYS 14 1HB CYS 14 -9.198 5.810 1.645
123 HB3 CYS 14 2HB CYS 14 -8.896 6.286 3.304
124 HA PRO 15 HA PRO 15 -11.217 10.491 1.300
125 HB2 PRO 15 1HB PRO 15 -12.904 11.926 2.900
126 HB3 PRO 15 2HB PRO 15 -13.442 11.057 1.477
127 HG2 PRO 15 1HG PRO 15 -13.786 10.343 4.325
128 HG3 PRO 15 2HG PRO 15 -14.658 9.741 2.929
129 HD2 PRO 15 1HD PRO 15 -12.590 8.382 4.379
130 HD3 PRO 15 2HD PRO 15 -13.380 7.830 2.915
131 H GLU 16 H GLU 16 -11.275 10.250 4.818
132 HA GLU 16 HA GLU 16 -10.024 12.458 5.519
133 HB2 GLU 16 1HB GLU 16 -10.668 10.696 7.107
134 HB3 GLU 16 2HB GLU 16 -9.396 9.646 6.517
135 HG2 GLU 16 1HG GLU 16 -7.660 11.144 7.345
136 HG3 GLU 16 2HG GLU 16 -8.830 12.398 7.707
137 HE2 GLU 16 HE GLU 16 -7.940 11.730 10.379
138 H GLY 17 H GLY 17 -8.583 13.380 4.006
139 HA2 GLY 17 1HA GLY 17 -6.754 13.394 2.589
140 HA3 GLY 17 2HA GLY 17 -5.999 13.353 4.170
141 H LYS 18 H LYS 18 -7.691 10.858 2.126
142 HA LYS 18 HA LYS 18 -5.198 9.377 1.977
143 HB2 LYS 18 1HB LYS 18 -7.598 8.511 3.545
144 HB3 LYS 18 2HB LYS 18 -6.715 7.298 2.642
145 HG2 LYS 18 1HG LYS 18 -4.598 7.971 3.764
146 HG3 LYS 18 2HG LYS 18 -5.443 9.239 4.630
147 HD2 LYS 18 1HD LYS 18 -6.888 6.778 5.058
148 HD3 LYS 18 2HD LYS 18 -5.190 6.450 5.336
149 HE2 LYS 18 1HE LYS 18 -6.006 9.019 6.526
150 HE3 LYS 18 2HE LYS 18 -6.971 7.690 7.136
151 HZ1 LYS 18 1HZ LYS 18 -4.108 7.186 6.989
152 HZ2 LYS 18 2HZ LYS 18 -4.562 8.281 8.105
153 HZ3 LYS 18 3HZ LYS 18 -5.215 6.781 8.122
154 H ASN 19 H ASN 19 -5.735 10.504 -0.203
155 HA ASN 19 HA ASN 19 -7.800 9.084 -1.626
156 HB2 ASN 19 1HB ASN 19 -7.111 11.681 -1.766
157 HB3 ASN 19 2HB ASN 19 -5.931 11.092 -2.920
158 HD21 ASN 19 1HD2 ASN 19 -6.889 12.133 -4.631
159 HD22 ASN 19 2HD2 ASN 19 -8.375 11.623 -5.358
160 H LEU 20 H LEU 20 -5.299 7.723 -0.657
161 HA LEU 20 HA LEU 20 -4.434 6.699 -3.232
162 HB2 LEU 20 1HB LEU 20 -2.623 7.999 -1.216
163 HB3 LEU 20 2HB LEU 20 -2.035 6.745 -2.289
164 HG LEU 20 HG LEU 20 -3.182 9.432 -3.084
165 HD11 LEU 20 1HD1 LEU 20 -1.079 10.101 -2.800
166 HD12 LEU 20 2HD1 LEU 20 -0.494 8.434 -2.583
167 HD13 LEU 20 3HD1 LEU 20 -0.668 9.109 -4.220
168 HD21 LEU 20 1HD2 LEU 20 -2.818 6.946 -4.648
169 HD22 LEU 20 2HD2 LEU 20 -3.904 8.331 -4.913
170 HD23 LEU 20 3HD2 LEU 20 -2.195 8.435 -5.396
171 H CYS 21 H CYS 21 -4.383 4.504 -3.194
172 HA CYS 21 HA CYS 21 -4.643 3.286 -0.553
173 HB2 CYS 21 1HB CYS 21 -5.224 1.928 -3.193
174 HB3 CYS 21 2HB CYS 21 -5.754 1.462 -1.589
175 H TYR 22 H TYR 22 -3.390 1.260 -0.161
176 HA TYR 22 HA TYR 22 -1.145 0.832 -1.965
177 HB2 TYR 22 1HB TYR 22 0.445 1.237 -0.159
178 HB3 TYR 22 2HB TYR 22 -0.666 2.591 -0.085
179 HD1 TYR 22 1HD TYR 22 0.047 -0.743 1.435
180 HD2 TYR 22 2HD TYR 22 -1.881 3.050 1.888
181 HE1 TYR 22 1HE TYR 22 -0.457 -1.281 3.868
182 HE2 TYR 22 2HE TYR 22 -2.379 2.499 4.319
183 HH TYR 22 HH TYR 22 -2.612 0.635 5.728
184 H LYS 23 H LYS 23 -0.075 -1.235 -1.623
185 HA LYS 23 HA LYS 23 -1.370 -3.004 0.287
186 HB2 LYS 23 1HB LYS 23 -1.741 -4.726 -1.460
187 HB3 LYS 23 2HB LYS 23 -2.761 -3.313 -1.644
188 HG2 LYS 23 1HG LYS 23 -0.187 -3.046 -3.076
189 HG3 LYS 23 2HG LYS 23 -1.122 -4.423 -3.625
190 HD2 LYS 23 1HD LYS 23 -2.962 -2.239 -3.314
191 HD3 LYS 23 2HD LYS 23 -1.564 -1.608 -4.163
192 HE2 LYS 23 1HE LYS 23 -3.091 -4.130 -4.971
193 HE3 LYS 23 2HE LYS 23 -3.308 -2.556 -5.710
194 HZ1 LYS 23 1HZ LYS 23 -0.555 -3.200 -5.692
195 HZ2 LYS 23 2HZ LYS 23 -1.369 -4.444 -6.355
196 HZ3 LYS 23 3HZ LYS 23 -1.566 -2.932 -6.950
197 H MET 24 H MET 24 0.227 -3.952 1.424
198 HA MET 24 HA MET 24 2.841 -4.018 0.194
199 HB2 MET 24 1HB MET 24 1.726 -4.269 3.015
200 HB3 MET 24 2HB MET 24 3.344 -4.859 2.691
201 HG2 MET 24 1HG MET 24 4.134 -2.739 2.860
202 HG3 MET 24 2HG MET 24 3.188 -2.284 1.457
203 HE1 MET 24 1HE MET 24 3.351 0.030 4.418
204 HE2 MET 24 2HE MET 24 3.730 -0.239 2.701
205 HE3 MET 24 3HE MET 24 2.236 0.611 3.159
206 H PHE 25 H PHE 25 3.811 -5.882 -0.531
207 HA PHE 25 HA PHE 25 2.407 -8.380 0.102
208 HB2 PHE 25 1HB PHE 25 4.190 -7.513 -2.253
209 HB3 PHE 25 2HB PHE 25 3.451 -9.096 -2.115
210 HD1 PHE 25 1HD PHE 25 1.067 -9.395 -2.495
211 HD2 PHE 25 2HD PHE 25 2.854 -5.560 -2.824
212 HE1 PHE 25 1HE PHE 25 -0.975 -8.545 -3.680
213 HE2 PHE 25 2HE PHE 25 0.811 -4.710 -4.009
214 HZ PHE 25 HZ PHE 25 -1.079 -6.213 -4.422
215 H MET 26 H MET 26 3.647 -10.257 0.616
216 HA MET 26 HA MET 26 6.147 -9.587 1.832
217 HB2 MET 26 1HB MET 26 4.054 -11.479 2.240
218 HB3 MET 26 2HB MET 26 5.434 -12.450 1.768
219 HG2 MET 26 1HG MET 26 6.813 -11.259 3.537
220 HG3 MET 26 2HG MET 26 5.365 -10.416 4.050
221 HE1 MET 26 1HE MET 26 6.096 -14.292 2.994
222 HE2 MET 26 2HE MET 26 7.411 -13.510 3.903
223 HE3 MET 26 3HE MET 26 6.452 -14.803 4.661
224 H MET 27 H MET 27 8.210 -10.255 1.189
225 HA MET 27 HA MET 27 9.795 -10.956 -0.122
226 HB2 MET 27 1HB MET 27 7.639 -13.015 -0.777
227 HB3 MET 27 2HB MET 27 9.187 -13.080 -1.595
228 HG2 MET 27 1HG MET 27 10.233 -13.952 0.237
229 HG3 MET 27 2HG MET 27 9.544 -12.744 1.302
230 HE1 MET 27 1HE MET 27 7.180 -16.282 -0.311
231 HE2 MET 27 2HE MET 27 8.476 -15.354 -1.104
232 HE3 MET 27 3HE MET 27 8.884 -16.652 0.045
233 H SER 28 H SER 28 6.970 -11.699 -2.290
234 HA SER 28 HA SER 28 8.052 -9.672 -4.087
235 HB2 SER 28 1HB SER 28 8.301 -12.216 -4.720
236 HB3 SER 28 2HB SER 28 6.589 -12.131 -5.084
237 HG SER 28 HG SER 28 8.756 -10.687 -6.315
238 H ASP 29 H ASP 29 6.294 -8.906 -5.726
239 HA ASP 29 HA ASP 29 3.942 -8.382 -4.161
240 HB2 ASP 29 1HB ASP 29 3.521 -7.043 -6.502
241 HB3 ASP 29 2HB ASP 29 4.437 -6.381 -5.163
242 HD2 ASP 29 HD ASP 29 6.955 -5.823 -7.420
243 H LEU 30 H LEU 30 5.048 -10.021 -7.157
244 HA LEU 30 HA LEU 30 2.786 -10.426 -8.549
245 HB2 LEU 30 1HB LEU 30 5.017 -12.371 -7.961
246 HB3 LEU 30 2HB LEU 30 3.782 -12.646 -9.173
247 HG LEU 30 HG LEU 30 5.510 -10.173 -9.232
248 HD11 LEU 30 1HD1 LEU 30 6.496 -12.010 -11.133
249 HD12 LEU 30 2HD1 LEU 30 7.322 -11.364 -9.695
250 HD13 LEU 30 3HD1 LEU 30 6.401 -12.884 -9.585
251 HD21 LEU 30 1HD2 LEU 30 3.894 -9.772 -10.774
252 HD22 LEU 30 2HD2 LEU 30 4.993 -10.729 -11.795
253 HD23 LEU 30 3HD2 LEU 30 3.569 -11.499 -11.055
254 H THR 31 H THR 31 3.856 -12.319 -5.651
255 HA THR 31 HA THR 31 1.570 -13.982 -5.641
256 HB THR 31 HB THR 31 2.471 -14.633 -3.424
257 HG1 THR 31 1HG THR 31 2.928 -12.391 -2.771
258 HG21 THR 31 1HG2 THR 31 5.085 -13.986 -4.659
259 HG22 THR 31 2HG2 THR 31 4.393 -15.576 -4.259
260 HG23 THR 31 3HG2 THR 31 3.962 -14.777 -5.790
261 H ILE 32 H ILE 32 0.262 -14.024 -3.378
262 HA ILE 32 HA ILE 32 -1.410 -11.753 -3.573
263 HB ILE 32 HB ILE 32 -1.426 -14.365 -2.354
264 HG12 ILE 32 1HG1 ILE 32 -3.889 -12.712 -2.629
265 HG13 ILE 32 2HG1 ILE 32 -2.970 -13.010 -4.091
266 HG21 ILE 32 1HG2 ILE 32 -1.260 -13.436 -0.207
267 HG22 ILE 32 2HG2 ILE 32 -2.283 -12.042 -0.631
268 HG23 ILE 32 3HG2 ILE 32 -3.007 -13.660 -0.470
269 HD11 ILE 32 1HD1 ILE 32 -3.099 -15.422 -3.779
270 HD12 ILE 32 2HD1 ILE 32 -3.815 -15.218 -2.162
271 HD13 ILE 32 3HD1 ILE 32 -4.740 -14.754 -3.611
272 HA PRO 33 HA PRO 33 0.430 -9.184 -0.634
273 HB2 PRO 33 1HB PRO 33 -1.683 -7.619 0.110
274 HB3 PRO 33 2HB PRO 33 -0.773 -7.363 -1.366
275 HG2 PRO 33 1HG PRO 33 -3.468 -8.532 -1.028
276 HG3 PRO 33 2HG PRO 33 -2.727 -7.883 -2.477
277 HD2 PRO 33 1HD PRO 33 -3.070 -10.653 -1.818
278 HD3 PRO 33 2HD PRO 33 -2.227 -10.004 -3.210
279 H VAL 34 H VAL 34 0.358 -8.316 1.664
280 HA VAL 34 HA VAL 34 -0.816 -10.471 3.283
281 HB VAL 34 HB VAL 34 1.013 -10.215 4.802
282 HG11 VAL 34 1HG1 VAL 34 2.580 -11.349 3.580
283 HG12 VAL 34 2HG1 VAL 34 1.227 -11.417 2.426
284 HG13 VAL 34 3HG1 VAL 34 2.515 -10.205 2.219
285 HG21 VAL 34 1HG2 VAL 34 2.963 -8.645 3.928
286 HG22 VAL 34 2HG2 VAL 34 1.608 -7.770 3.175
287 HG23 VAL 34 3HG2 VAL 34 1.644 -8.009 4.939
288 H LYS 35 H LYS 35 -0.140 -6.962 2.922
289 HA LYS 35 HA LYS 35 -2.438 -6.451 4.617
290 HB2 LYS 35 1HB LYS 35 0.374 -5.815 5.364
291 HB3 LYS 35 2HB LYS 35 -0.819 -4.566 5.651
292 HG2 LYS 35 1HG LYS 35 -2.108 -5.952 7.109
293 HG3 LYS 35 2HG LYS 35 -1.364 -7.424 6.518
294 HD2 LYS 35 1HD LYS 35 0.754 -6.888 7.604
295 HD3 LYS 35 2HD LYS 35 0.209 -5.271 7.998
296 HE2 LYS 35 1HE LYS 35 -1.173 -7.783 9.046
297 HE3 LYS 35 2HE LYS 35 0.114 -6.973 9.916
298 HZ1 LYS 35 1HZ LYS 35 -2.616 -6.224 9.746
299 HZ2 LYS 35 2HZ LYS 35 -1.462 -5.604 10.713
300 HZ3 LYS 35 3HZ LYS 35 -1.651 -5.023 9.196
301 H ARG 36 H ARG 36 -3.387 -4.357 4.228
302 HA ARG 36 HA ARG 36 -2.163 -2.594 2.425
303 HB2 ARG 36 1HB ARG 36 -3.755 -2.835 0.531
304 HB3 ARG 36 2HB ARG 36 -2.855 -4.319 0.772
305 HG2 ARG 36 1HG ARG 36 -4.738 -5.338 1.978
306 HG3 ARG 36 2HG ARG 36 -5.627 -3.827 1.955
307 HD2 ARG 36 1HD ARG 36 -6.508 -4.364 -0.066
308 HD3 ARG 36 2HD ARG 36 -4.901 -4.406 -0.766
309 HE ARG 36 HE ARG 36 -5.652 -6.821 0.755
310 HH11 ARG 36 1HH ARG 36 -5.760 -8.821 -2.083
311 HH12 ARG 36 2HH1 ARG 36 -5.767 -8.754 -0.390
312 HH21 ARG 36 1HH2 ARG 36 -5.620 -6.760 -3.299
313 HH22 ARG 36 2HH2 ARG 36 -5.530 -5.265 -2.427
314 H GLY 37 H GLY 37 -3.363 -0.576 2.298
315 HA2 GLY 37 1HA GLY 37 -6.028 -0.416 3.387
316 HA3 GLY 37 2HA GLY 37 -4.794 0.211 4.462
317 H CYS 38 H CYS 38 -5.931 2.322 4.132
318 HA CYS 38 HA CYS 38 -5.461 3.476 1.504
319 HB2 CYS 38 1HB CYS 38 -6.902 4.849 3.774
320 HB3 CYS 38 2HB CYS 38 -7.035 5.144 2.051
321 H ILE 39 H ILE 39 -4.534 5.784 1.511
322 HA ILE 39 HA ILE 39 -3.086 6.649 3.785
323 HB ILE 39 HB ILE 39 -1.741 4.668 2.981
324 HG12 ILE 39 1HG1 ILE 39 -0.027 7.110 2.808
325 HG13 ILE 39 2HG1 ILE 39 -0.992 6.891 4.255
326 HG21 ILE 39 1HG2 ILE 39 -1.646 4.628 0.707
327 HG22 ILE 39 2HG2 ILE 39 -1.608 6.401 0.558
328 HG23 ILE 39 3HG2 ILE 39 -0.140 5.517 1.035
329 HD11 ILE 39 1HD1 ILE 39 0.834 5.658 4.921
330 HD12 ILE 39 2HD1 ILE 39 0.002 4.367 4.022
331 HD13 ILE 39 3HD1 ILE 39 1.319 5.282 3.250
332 H ASP 40 H ASP 40 -1.407 8.472 2.894
333 HA ASP 40 HA ASP 40 -3.034 9.952 0.992
334 HB2 ASP 40 1HB ASP 40 -2.777 11.054 3.165
335 HB3 ASP 40 2HB ASP 40 -1.038 10.840 3.123
336 HD2 ASP 40 HD ASP 40 -2.428 14.064 2.480
337 H VAL 41 H VAL 41 0.387 9.309 2.062
338 HA VAL 41 HA VAL 41 1.220 9.769 -0.719
339 HB VAL 41 HB VAL 41 2.643 10.442 1.862
340 HG11 VAL 41 1HG1 VAL 41 3.844 9.594 -0.490
341 HG12 VAL 41 2HG1 VAL 41 3.893 11.368 -0.616
342 HG13 VAL 41 3HG1 VAL 41 4.611 10.555 0.796
343 HG21 VAL 41 1HG2 VAL 41 0.771 11.955 0.844
344 HG22 VAL 41 2HG2 VAL 41 2.305 12.688 1.372
345 HG23 VAL 41 3HG2 VAL 41 2.016 12.377 -0.357
346 H CYS 42 H CYS 42 2.556 8.216 -1.649
347 HA CYS 42 HA CYS 42 2.440 5.660 -0.527
348 HB2 CYS 42 1HB CYS 42 2.603 6.239 -2.984
349 HB3 CYS 42 2HB CYS 42 4.304 6.581 -2.735
350 HA PRO 43 HA PRO 43 5.929 6.170 2.102
351 HB2 PRO 43 1HB PRO 43 5.828 3.724 3.316
352 HB3 PRO 43 2HB PRO 43 4.883 5.099 3.852
353 HG2 PRO 43 1HG PRO 43 3.996 2.710 2.354
354 HG3 PRO 43 2HG PRO 43 3.030 3.862 3.255
355 HD2 PRO 43 1HD PRO 43 3.305 3.711 0.404
356 HD3 PRO 43 2HD PRO 43 2.435 4.933 1.309
357 H LYS 44 H LYS 44 8.013 4.951 2.714
358 HA LYS 44 HA LYS 44 9.250 4.387 0.238
359 HB2 LYS 44 1HB LYS 44 10.266 3.930 3.060
360 HB3 LYS 44 2HB LYS 44 11.237 3.961 1.601
361 HG2 LYS 44 1HG LYS 44 10.728 6.309 1.208
362 HG3 LYS 44 2HG LYS 44 9.493 6.313 2.452
363 HD2 LYS 44 1HD LYS 44 12.262 5.495 3.292
364 HD3 LYS 44 2HD LYS 44 12.023 7.185 2.898
365 HE2 LYS 44 1HE LYS 44 10.154 5.709 4.799
366 HE3 LYS 44 2HE LYS 44 11.629 6.469 5.365
367 HZ1 LYS 44 1HZ LYS 44 9.441 7.838 5.323
368 HZ2 LYS 44 2HZ LYS 44 10.813 8.575 4.844
369 HZ3 LYS 44 3HZ LYS 44 9.771 7.989 3.727
370 H ASN 45 H ASN 45 9.522 2.495 -0.851
371 HA ASN 45 HA ASN 45 8.085 0.262 0.082
372 HB2 ASN 45 1HB ASN 45 8.269 0.745 -2.333
373 HB3 ASN 45 2HB ASN 45 10.017 0.642 -2.261
374 HD21 ASN 45 1HD2 ASN 45 9.101 -0.867 -4.088
375 HD22 ASN 45 2HD2 ASN 45 8.994 -2.546 -3.672
376 H SER 46 H SER 46 8.901 -1.569 1.174
377 HA SER 46 HA SER 46 11.642 -1.393 2.005
378 HB2 SER 46 1HB SER 46 11.067 -3.109 3.620
379 HB3 SER 46 2HB SER 46 9.777 -1.924 3.607
380 HG SER 46 HG SER 46 8.582 -3.721 3.405
381 H LEU 47 H LEU 47 12.943 -3.561 2.063
382 HA LEU 47 HA LEU 47 12.864 -4.630 -0.622
383 HB2 LEU 47 1HB LEU 47 14.850 -5.577 1.359
384 HB3 LEU 47 2HB LEU 47 15.043 -5.167 -0.334
385 HG LEU 47 HG LEU 47 16.255 -3.499 0.670
386 HD11 LEU 47 1HD1 LEU 47 15.265 -1.698 -0.185
387 HD12 LEU 47 2HD1 LEU 47 13.844 -2.730 -0.478
388 HD13 LEU 47 3HD1 LEU 47 13.946 -1.757 1.009
389 HD21 LEU 47 1HD2 LEU 47 14.798 -4.211 2.985
390 HD22 LEU 47 2HD2 LEU 47 16.239 -3.175 2.862
391 HD23 LEU 47 3HD2 LEU 47 14.615 -2.453 2.780
392 H LEU 48 H LEU 48 12.057 -5.535 2.710
393 HA LEU 48 HA LEU 48 11.893 -8.327 2.121
394 HB2 LEU 48 1HB LEU 48 11.415 -6.541 4.438
395 HB3 LEU 48 2HB LEU 48 10.506 -8.040 4.409
396 HG LEU 48 HG LEU 48 12.577 -8.240 5.702
397 HD11 LEU 48 1HD1 LEU 48 12.600 -9.890 3.159
398 HD12 LEU 48 2HD1 LEU 48 13.436 -10.294 4.677
399 HD13 LEU 48 3HD1 LEU 48 11.658 -10.229 4.631
400 HD21 LEU 48 1HD2 LEU 48 13.936 -6.600 4.499
401 HD22 LEU 48 2HD2 LEU 48 14.771 -8.167 4.627
402 HD23 LEU 48 3HD2 LEU 48 14.012 -7.686 3.090
403 H VAL 49 H VAL 49 9.539 -5.609 2.572
404 HA VAL 49 HA VAL 49 7.535 -7.344 1.304
405 HB VAL 49 HB VAL 49 6.900 -4.897 2.919
406 HG11 VAL 49 1HG1 VAL 49 5.408 -7.508 2.486
407 HG12 VAL 49 2HG1 VAL 49 4.801 -6.061 3.326
408 HG13 VAL 49 3HG1 VAL 49 5.132 -6.001 1.578
409 HG21 VAL 49 1HG2 VAL 49 7.900 -5.806 4.715
410 HG22 VAL 49 2HG2 VAL 49 6.547 -6.963 4.706
411 HG23 VAL 49 3HG2 VAL 49 8.089 -7.391 3.926
412 H LYS 50 H LYS 50 6.542 -6.656 -0.573
413 HA LYS 50 HA LYS 50 7.777 -4.376 -1.843
414 HB2 LYS 50 1HB LYS 50 6.079 -6.685 -2.721
415 HB3 LYS 50 2HB LYS 50 6.132 -5.250 -3.724
416 HG2 LYS 50 1HG LYS 50 8.833 -5.877 -2.881
417 HG3 LYS 50 2HG LYS 50 8.098 -7.337 -3.511
418 HD2 LYS 50 1HD LYS 50 8.124 -6.556 -5.656
419 HD3 LYS 50 2HD LYS 50 7.460 -5.004 -5.186
420 HE2 LYS 50 1HE LYS 50 9.587 -4.062 -4.761
421 HE3 LYS 50 2HE LYS 50 10.340 -5.622 -4.495
422 HZ1 LYS 50 1HZ LYS 50 9.486 -4.508 -7.108
423 HZ2 LYS 50 2HZ LYS 50 11.007 -4.859 -6.644
424 HZ3 LYS 50 3HZ LYS 50 9.927 -6.066 -6.870
425 H TYR 51 H TYR 51 6.871 -2.385 -2.131
426 HA TYR 51 HA TYR 51 4.197 -2.041 -0.978
427 HB2 TYR 51 1HB TYR 51 6.725 -0.390 -1.452
428 HB3 TYR 51 2HB TYR 51 5.203 0.459 -1.262
429 HD1 TYR 51 1HD TYR 51 6.167 -2.654 0.536
430 HD2 TYR 51 2HD TYR 51 5.630 1.582 0.789
431 HE1 TYR 51 1HE TYR 51 6.415 -2.766 3.065
432 HE2 TYR 51 2HE TYR 51 5.880 1.456 3.317
433 HH TYR 51 HH TYR 51 5.452 -0.403 5.075
434 H VAL 52 H VAL 52 2.511 -1.773 -2.347
435 HA VAL 52 HA VAL 52 3.110 -0.551 -4.951
436 HB VAL 52 HB VAL 52 0.921 -2.562 -4.606
437 HG11 VAL 52 1HG1 VAL 52 2.673 -2.387 -7.016
438 HG12 VAL 52 2HG1 VAL 52 0.919 -2.661 -6.888
439 HG13 VAL 52 3HG1 VAL 52 1.579 -1.019 -6.695
440 HG21 VAL 52 1HG2 VAL 52 2.558 -4.336 -5.356
441 HG22 VAL 52 2HG2 VAL 52 3.866 -3.204 -4.935
442 HG23 VAL 52 3HG2 VAL 52 2.750 -3.783 -3.675
443 H CYS 53 H CYS 53 2.247 1.460 -4.932
444 HA CYS 53 HA CYS 53 -0.169 1.854 -3.351
445 HB2 CYS 53 1HB CYS 53 1.724 3.899 -4.556
446 HB3 CYS 53 2HB CYS 53 0.326 4.263 -3.563
447 H CYS 54 H CYS 54 -1.883 3.305 -4.400
448 HA CYS 54 HA CYS 54 -1.826 3.398 -7.268
449 HB2 CYS 54 1HB CYS 54 -4.156 2.214 -7.299
450 HB3 CYS 54 2HB CYS 54 -2.689 1.258 -7.337
451 H ASN 55 H ASN 55 -4.005 4.489 -8.017
452 HA ASN 55 HA ASN 55 -5.024 6.136 -5.847
453 HB2 ASN 55 1HB ASN 55 -4.874 8.141 -7.216
454 HB3 ASN 55 2HB ASN 55 -3.299 7.375 -7.274
455 HD21 ASN 55 1HD2 ASN 55 -4.273 9.200 -9.162
456 HD22 ASN 55 2HD2 ASN 55 -4.424 8.420 -10.701
457 H THR 56 H THR 56 -5.848 3.689 -7.638
458 HA THR 56 HA THR 56 -8.323 4.875 -8.714
459 HB THR 56 HB THR 56 -8.206 2.747 -10.211
460 HG1 THR 56 1HG THR 56 -6.338 1.571 -9.901
461 HG21 THR 56 1HG2 THR 56 -6.915 3.841 -11.845
462 HG22 THR 56 2HG2 THR 56 -7.301 5.214 -10.781
463 HG23 THR 56 3HG2 THR 56 -5.718 4.410 -10.657
464 H ASP 57 H ASP 57 -10.292 3.985 -8.175
465 HA ASP 57 HA ASP 57 -10.431 2.774 -5.713
466 HB2 ASP 57 1HB ASP 57 -12.591 2.412 -7.808
467 HB3 ASP 57 2HB ASP 57 -12.783 2.670 -6.086
468 HD2 ASP 57 HD ASP 57 -12.788 6.073 -6.304
469 H ARG 58 H ARG 58 -10.637 0.561 -5.078
470 HA ARG 58 HA ARG 58 -10.524 -1.593 -5.192
471 HB2 ARG 58 1HB ARG 58 -11.446 -1.476 -8.102
472 HB3 ARG 58 2HB ARG 58 -11.633 -2.819 -6.994
473 HG2 ARG 58 1HG ARG 58 -12.998 -1.148 -5.508
474 HG3 ARG 58 2HG ARG 58 -13.059 -0.134 -6.937
475 HD2 ARG 58 1HD ARG 58 -13.935 -3.060 -6.953
476 HD3 ARG 58 2HD ARG 58 -15.041 -1.743 -6.618
477 HE ARG 58 HE ARG 58 -13.476 -1.465 -9.108
478 HH11 ARG 58 1HH ARG 58 -16.282 -1.788 -11.132
479 HH12 ARG 58 2HH1 ARG 58 -14.637 -1.391 -11.035
480 HH21 ARG 58 1HH2 ARG 58 -17.407 -2.455 -9.124
481 HH22 ARG 58 2HH2 ARG 58 -16.523 -2.515 -7.635
482 H CYS 59 H CYS 59 -8.249 0.145 -6.069
483 HA CYS 59 HA CYS 59 -6.977 -1.169 -8.238
484 HB2 CYS 59 1HB CYS 59 -5.018 0.221 -7.610
485 HB3 CYS 59 2HB CYS 59 -6.483 1.156 -7.829
486 H ASN 60 H ASN 60 -6.992 -1.356 -4.656
487 HA ASN 60 HA ASN 60 -4.924 -3.374 -4.777
488 HB2 ASN 60 1HB ASN 60 -4.835 -3.146 -2.329
489 HB3 ASN 60 2HB ASN 60 -4.810 -1.544 -3.038
490 HD21 ASN 60 1HD2 ASN 60 -5.495 -1.778 -0.469
491 HD22 ASN 60 2HD2 ASN 60 -7.184 -1.490 -0.211
492 H1 HOH 101 1H HOH 61 3.309 -12.434 -1.015
493 H2 HOH 101 2H HOH 61 2.230 -12.494 0.045
Start of MODEL 7
1 H1 LEU 1 H LEU 1 -10.395 9.268 -3.000
2 HA LEU 1 HA LEU 1 -11.314 7.305 -4.588
3 HB2 LEU 1 1HB LEU 1 -8.852 8.135 -3.562
4 HB3 LEU 1 2HB LEU 1 -8.940 6.428 -3.172
5 HG LEU 1 HG LEU 1 -7.821 7.000 -5.351
6 HD11 LEU 1 1HD1 LEU 1 -10.136 5.274 -6.068
7 HD12 LEU 1 2HD1 LEU 1 -8.388 4.991 -6.241
8 HD13 LEU 1 3HD1 LEU 1 -9.167 4.801 -4.652
9 HD21 LEU 1 1HD2 LEU 1 -10.550 7.388 -6.541
10 HD22 LEU 1 2HD2 LEU 1 -9.665 8.772 -5.855
11 HD23 LEU 1 3HD2 LEU 1 -8.951 7.831 -7.186
12 H LYS 2 H LYS 2 -11.112 4.833 -4.264
13 HA LYS 2 HA LYS 2 -12.203 4.152 -1.623
14 HB2 LYS 2 1HB LYS 2 -13.193 3.378 -4.367
15 HB3 LYS 2 2HB LYS 2 -13.537 2.389 -2.961
16 HG2 LYS 2 1HG LYS 2 -14.689 4.211 -1.845
17 HG3 LYS 2 2HG LYS 2 -14.117 5.382 -3.017
18 HD2 LYS 2 1HD LYS 2 -15.864 4.951 -4.401
19 HD3 LYS 2 2HD LYS 2 -15.500 3.238 -4.412
20 HE2 LYS 2 1HE LYS 2 -17.205 4.741 -2.378
21 HE3 LYS 2 2HE LYS 2 -17.745 3.519 -3.512
22 HZ1 LYS 2 1HZ LYS 2 -16.130 3.137 -1.078
23 HZ2 LYS 2 2HZ LYS 2 -17.460 2.325 -1.548
24 HZ3 LYS 2 3HZ LYS 2 -16.039 2.075 -2.320
25 H CYS 3 H CYS 3 -10.982 2.699 -0.549
26 HA CYS 3 HA CYS 3 -9.170 1.079 -2.186
27 HB2 CYS 3 1HB CYS 3 -8.712 1.709 0.731
28 HB3 CYS 3 2HB CYS 3 -7.561 1.136 -0.462
29 H ASN 4 H ASN 4 -9.047 -1.189 -1.684
30 HA ASN 4 HA ASN 4 -11.403 -2.124 -0.322
31 HB2 ASN 4 1HB ASN 4 -9.258 -3.818 -1.687
32 HB3 ASN 4 2HB ASN 4 -10.921 -4.270 -1.367
33 HD21 ASN 4 1HD2 ASN 4 -10.034 -4.607 -3.841
34 HD22 ASN 4 2HD2 ASN 4 -10.684 -3.444 -4.948
35 H LYS 5 H LYS 5 -10.787 -4.479 0.854
36 HA LYS 5 HA LYS 5 -8.801 -3.731 2.855
37 HB2 LYS 5 1HB LYS 5 -10.839 -5.967 2.980
38 HB3 LYS 5 2HB LYS 5 -9.900 -5.301 4.300
39 HG2 LYS 5 1HG LYS 5 -11.400 -3.628 4.627
40 HG3 LYS 5 2HG LYS 5 -11.333 -3.156 2.941
41 HD2 LYS 5 1HD LYS 5 -13.516 -3.862 2.910
42 HD3 LYS 5 2HD LYS 5 -12.802 -5.449 2.704
43 HE2 LYS 5 1HE LYS 5 -13.745 -6.111 4.657
44 HE3 LYS 5 2HE LYS 5 -12.768 -4.937 5.515
45 HZ1 LYS 5 1HZ LYS 5 -14.496 -3.436 5.559
46 HZ2 LYS 5 2HZ LYS 5 -15.168 -3.940 4.163
47 HZ3 LYS 5 3HZ LYS 5 -15.343 -4.836 5.521
48 H LEU 6 H LEU 6 -8.614 -6.655 3.652
49 HA LEU 6 HA LEU 6 -6.255 -7.223 2.288
50 HB2 LEU 6 1HB LEU 6 -6.986 -7.996 4.565
51 HB3 LEU 6 2HB LEU 6 -8.024 -9.166 3.774
52 HG LEU 6 HG LEU 6 -6.006 -10.256 4.479
53 HD11 LEU 6 1HD1 LEU 6 -7.063 -10.540 2.039
54 HD12 LEU 6 2HD1 LEU 6 -5.417 -10.049 1.570
55 HD13 LEU 6 3HD1 LEU 6 -5.659 -11.480 2.601
56 HD21 LEU 6 1HD2 LEU 6 -4.732 -7.813 3.506
57 HD22 LEU 6 2HD2 LEU 6 -4.176 -9.003 4.707
58 HD23 LEU 6 3HD2 LEU 6 -3.900 -9.292 2.973
59 H VAL 7 H VAL 7 -9.662 -8.023 1.631
60 HA VAL 7 HA VAL 7 -8.744 -9.494 -0.743
61 HB VAL 7 HB VAL 7 -11.223 -9.779 0.958
62 HG11 VAL 7 1HG1 VAL 7 -12.082 -11.383 -0.596
63 HG12 VAL 7 2HG1 VAL 7 -11.707 -9.905 -1.514
64 HG13 VAL 7 3HG1 VAL 7 -10.607 -11.304 -1.590
65 HG21 VAL 7 1HG2 VAL 7 -9.194 -10.889 1.811
66 HG22 VAL 7 2HG2 VAL 7 -10.428 -12.067 1.302
67 HG23 VAL 7 3HG2 VAL 7 -9.019 -11.749 0.262
68 HA PRO 8 HA PRO 8 -10.567 -6.247 -2.963
69 HB2 PRO 8 1HB PRO 8 -10.453 -7.321 -5.473
70 HB3 PRO 8 2HB PRO 8 -9.091 -6.527 -4.708
71 HG2 PRO 8 1HG PRO 8 -9.554 -9.416 -5.133
72 HG3 PRO 8 2HG PRO 8 -8.054 -8.587 -4.770
73 HD2 PRO 8 1HD PRO 8 -9.653 -10.117 -2.946
74 HD3 PRO 8 2HD PRO 8 -8.216 -9.192 -2.558
75 H ILE 9 H ILE 9 -12.400 -7.588 -1.482
76 HA ILE 9 HA ILE 9 -14.538 -7.882 -3.476
77 HB ILE 9 HB ILE 9 -13.867 -10.030 -2.486
78 HG12 ILE 9 1HG1 ILE 9 -16.255 -10.515 -1.492
79 HG13 ILE 9 2HG1 ILE 9 -16.607 -8.886 -2.035
80 HG21 ILE 9 1HG2 ILE 9 -13.297 -8.816 -0.221
81 HG22 ILE 9 2HG2 ILE 9 -14.990 -9.208 0.164
82 HG23 ILE 9 3HG2 ILE 9 -13.846 -10.509 -0.244
83 HD11 ILE 9 1HD1 ILE 9 -17.094 -10.741 -3.728
84 HD12 ILE 9 2HD1 ILE 9 -16.064 -9.418 -4.325
85 HD13 ILE 9 3HD1 ILE 9 -15.333 -10.970 -3.856
86 H ALA 10 H ALA 10 -13.573 -6.881 -0.151
87 HA ALA 10 HA ALA 10 -15.976 -5.187 -0.116
88 HB1 ALA 10 1HB ALA 10 -15.020 -5.294 2.479
89 HB2 ALA 10 2HB ALA 10 -16.332 -6.301 1.822
90 HB3 ALA 10 3HB ALA 10 -14.667 -6.928 1.871
91 H TYR 11 H TYR 11 -15.583 -3.066 -0.475
92 HA TYR 11 HA TYR 11 -13.139 -1.928 0.632
93 HB2 TYR 11 1HB TYR 11 -12.731 -0.857 -1.622
94 HB3 TYR 11 2HB TYR 11 -12.686 -2.605 -1.753
95 HD1 TYR 11 1HD TYR 11 -14.264 0.423 -2.895
96 HD2 TYR 11 2HD TYR 11 -14.770 -3.816 -2.612
97 HE1 TYR 11 1HE TYR 11 -16.046 0.507 -4.707
98 HE2 TYR 11 2HE TYR 11 -16.549 -3.718 -4.425
99 HH TYR 11 HH TYR 11 -16.950 -1.921 -6.457
100 H LYS 12 H LYS 12 -13.218 0.455 0.755
101 HA LYS 12 HA LYS 12 -15.826 1.623 0.260
102 HB2 LYS 12 1HB LYS 12 -15.807 2.566 2.632
103 HB3 LYS 12 2HB LYS 12 -16.282 0.892 2.435
104 HG2 LYS 12 1HG LYS 12 -14.745 0.570 4.124
105 HG3 LYS 12 2HG LYS 12 -13.624 0.500 2.779
106 HD2 LYS 12 1HD LYS 12 -12.557 2.088 4.107
107 HD3 LYS 12 2HD LYS 12 -13.522 3.142 3.095
108 HE2 LYS 12 1HE LYS 12 -14.182 4.002 5.132
109 HE3 LYS 12 2HE LYS 12 -15.347 2.695 5.053
110 HZ1 LYS 12 1HZ LYS 12 -14.259 2.535 7.151
111 HZ2 LYS 12 2HZ LYS 12 -13.635 1.316 6.269
112 HZ3 LYS 12 3HZ LYS 12 -12.784 2.701 6.460
113 H THR 13 H THR 13 -15.519 4.101 1.318
114 HA THR 13 HA THR 13 -13.260 5.092 -0.225
115 HB THR 13 HB THR 13 -15.901 6.103 0.801
116 HG1 THR 13 1HG THR 13 -15.871 5.863 -1.412
117 HG21 THR 13 1HG2 THR 13 -13.374 7.733 0.678
118 HG22 THR 13 2HG2 THR 13 -14.811 8.422 -0.115
119 HG23 THR 13 3HG2 THR 13 -14.857 8.022 1.618
120 H CYS 14 H CYS 14 -11.613 6.430 0.570
121 HA CYS 14 HA CYS 14 -11.351 6.274 3.486
122 HB2 CYS 14 1HB CYS 14 -9.325 5.894 1.294
123 HB3 CYS 14 2HB CYS 14 -8.807 6.504 2.853
124 HA PRO 15 HA PRO 15 -11.572 10.639 2.317
125 HB2 PRO 15 1HB PRO 15 -13.258 11.442 4.312
126 HB3 PRO 15 2HB PRO 15 -13.817 10.955 2.725
127 HG2 PRO 15 1HG PRO 15 -13.950 9.465 5.274
128 HG3 PRO 15 2HG PRO 15 -14.857 9.198 3.798
129 HD2 PRO 15 1HD PRO 15 -12.622 7.666 4.740
130 HD3 PRO 15 2HD PRO 15 -13.455 7.473 3.210
131 H GLU 16 H GLU 16 -11.342 9.373 5.593
132 HA GLU 16 HA GLU 16 -10.227 11.422 6.850
133 HB2 GLU 16 1HB GLU 16 -9.486 8.474 6.977
134 HB3 GLU 16 2HB GLU 16 -8.826 9.644 8.102
135 HG2 GLU 16 1HG GLU 16 -11.113 10.282 8.827
136 HG3 GLU 16 2HG GLU 16 -11.814 9.189 7.650
137 HE2 GLU 16 HE GLU 16 -11.917 6.706 9.766
138 H GLY 17 H GLY 17 -8.938 12.843 5.617
139 HA2 GLY 17 1HA GLY 17 -7.200 13.426 4.220
140 HA3 GLY 17 2HA GLY 17 -6.337 12.932 5.663
141 H LYS 18 H LYS 18 -8.118 10.953 3.195
142 HA LYS 18 HA LYS 18 -5.558 9.798 2.400
143 HB2 LYS 18 1HB LYS 18 -7.922 8.278 3.514
144 HB3 LYS 18 2HB LYS 18 -6.730 7.517 2.478
145 HG2 LYS 18 1HG LYS 18 -5.037 7.659 4.068
146 HG3 LYS 18 2HG LYS 18 -5.662 9.140 4.767
147 HD2 LYS 18 1HD LYS 18 -7.598 7.793 5.728
148 HD3 LYS 18 2HD LYS 18 -6.815 6.338 5.145
149 HE2 LYS 18 1HE LYS 18 -5.808 6.326 7.205
150 HE3 LYS 18 2HE LYS 18 -4.718 7.496 6.488
151 HZ1 LYS 18 1HZ LYS 18 -6.908 8.958 7.326
152 HZ2 LYS 18 2HZ LYS 18 -6.632 7.916 8.548
153 HZ3 LYS 18 3HZ LYS 18 -5.423 8.878 8.010
154 H ASN 19 H ASN 19 -5.523 9.007 0.241
155 HA ASN 19 HA ASN 19 -7.985 9.288 -1.231
156 HB2 ASN 19 1HB ASN 19 -6.415 11.474 -1.232
157 HB3 ASN 19 2HB ASN 19 -5.498 10.558 -2.411
158 HD21 ASN 19 1HD2 ASN 19 -6.156 12.414 -3.746
159 HD22 ASN 19 2HD2 ASN 19 -7.653 12.342 -4.615
160 H LEU 20 H LEU 20 -4.469 8.501 -1.060
161 HA LEU 20 HA LEU 20 -4.710 6.726 -3.348
162 HB2 LEU 20 1HB LEU 20 -2.333 7.540 -1.671
163 HB3 LEU 20 2HB LEU 20 -2.269 6.480 -3.065
164 HG LEU 20 HG LEU 20 -3.202 9.362 -3.147
165 HD11 LEU 20 1HD1 LEU 20 -0.567 8.353 -2.886
166 HD12 LEU 20 2HD1 LEU 20 -0.750 8.922 -4.562
167 HD13 LEU 20 3HD1 LEU 20 -1.089 10.025 -3.207
168 HD21 LEU 20 1HD2 LEU 20 -2.310 8.353 -5.669
169 HD22 LEU 20 2HD2 LEU 20 -3.520 7.234 -4.997
170 HD23 LEU 20 3HD2 LEU 20 -3.918 8.956 -5.204
171 H CYS 21 H CYS 21 -3.877 4.459 -3.159
172 HA CYS 21 HA CYS 21 -4.391 3.420 -0.468
173 HB2 CYS 21 1HB CYS 21 -5.128 1.866 -2.945
174 HB3 CYS 21 2HB CYS 21 -5.669 1.631 -1.296
175 H TYR 22 H TYR 22 -3.218 1.336 -0.044
176 HA TYR 22 HA TYR 22 -1.057 0.762 -1.913
177 HB2 TYR 22 1HB TYR 22 0.608 1.173 -0.190
178 HB3 TYR 22 2HB TYR 22 -0.469 2.550 -0.076
179 HD1 TYR 22 1HD TYR 22 0.186 -0.810 1.424
180 HD2 TYR 22 2HD TYR 22 -1.524 3.075 1.961
181 HE1 TYR 22 1HE TYR 22 -0.216 -1.318 3.882
182 HE2 TYR 22 2HE TYR 22 -1.921 2.554 4.417
183 HH TYR 22 HH TYR 22 -2.137 -0.208 5.659
184 H LYS 23 H LYS 23 0.003 -1.321 -1.469
185 HA LYS 23 HA LYS 23 -1.320 -2.987 0.503
186 HB2 LYS 23 1HB LYS 23 -1.546 -4.760 -1.418
187 HB3 LYS 23 2HB LYS 23 -2.807 -3.576 -1.142
188 HG2 LYS 23 1HG LYS 23 -1.948 -2.145 -2.944
189 HG3 LYS 23 2HG LYS 23 -0.537 -3.164 -3.141
190 HD2 LYS 23 1HD LYS 23 -1.808 -4.964 -4.065
191 HD3 LYS 23 2HD LYS 23 -3.322 -4.335 -3.447
192 HE2 LYS 23 1HE LYS 23 -3.412 -2.593 -5.081
193 HE3 LYS 23 2HE LYS 23 -1.704 -2.722 -5.449
194 HZ1 LYS 23 1HZ LYS 23 -2.668 -5.209 -6.027
195 HZ2 LYS 23 2HZ LYS 23 -3.882 -4.247 -6.529
196 HZ3 LYS 23 3HZ LYS 23 -2.364 -4.003 -7.089
197 H MET 24 H MET 24 0.335 -3.814 1.651
198 HA MET 24 HA MET 24 2.898 -4.007 0.381
199 HB2 MET 24 1HB MET 24 1.770 -4.259 3.186
200 HB3 MET 24 2HB MET 24 3.337 -4.977 2.872
201 HG2 MET 24 1HG MET 24 4.312 -2.936 3.047
202 HG3 MET 24 2HG MET 24 3.380 -2.369 1.675
203 HE1 MET 24 1HE MET 24 3.890 -0.300 2.727
204 HE2 MET 24 2HE MET 24 2.572 0.570 3.548
205 HE3 MET 24 3HE MET 24 3.889 -0.154 4.501
206 H PHE 25 H PHE 25 3.973 -5.894 -0.206
207 HA PHE 25 HA PHE 25 2.519 -8.387 0.335
208 HB2 PHE 25 1HB PHE 25 4.061 -7.347 -2.113
209 HB3 PHE 25 2HB PHE 25 3.595 -9.029 -1.957
210 HD1 PHE 25 1HD PHE 25 1.508 -9.731 -2.712
211 HD2 PHE 25 2HD PHE 25 2.153 -5.598 -2.004
212 HE1 PHE 25 1HE PHE 25 -0.727 -9.208 -3.731
213 HE2 PHE 25 2HE PHE 25 -0.081 -5.074 -3.021
214 HZ PHE 25 HZ PHE 25 -1.494 -6.885 -3.873
215 H MET 26 H MET 26 3.804 -10.286 0.689
216 HA MET 26 HA MET 26 6.414 -9.607 1.702
217 HB2 MET 26 1HB MET 26 4.339 -11.317 2.523
218 HB3 MET 26 2HB MET 26 5.501 -12.439 1.842
219 HG2 MET 26 1HG MET 26 7.299 -11.306 3.282
220 HG3 MET 26 2HG MET 26 6.014 -10.406 4.063
221 HE1 MET 26 1HE MET 26 7.507 -14.430 5.109
222 HE2 MET 26 2HE MET 26 8.047 -13.384 3.774
223 HE3 MET 26 3HE MET 26 8.144 -12.804 5.453
224 H MET 27 H MET 27 8.344 -10.181 0.746
225 HA MET 27 HA MET 27 9.613 -10.677 -0.990
226 HB2 MET 27 1HB MET 27 8.307 -13.313 -0.162
227 HB3 MET 27 2HB MET 27 9.569 -13.294 -1.379
228 HG2 MET 27 1HG MET 27 11.022 -12.003 0.318
229 HG3 MET 27 2HG MET 27 9.793 -12.354 1.517
230 HE1 MET 27 1HE MET 27 13.128 -13.397 0.862
231 HE2 MET 27 2HE MET 27 13.107 -15.013 0.117
232 HE3 MET 27 3HE MET 27 12.517 -13.604 -0.796
233 H SER 28 H SER 28 8.896 -9.620 -2.857
234 HA SER 28 HA SER 28 8.136 -9.432 -4.881
235 HB2 SER 28 1HB SER 28 7.858 -12.442 -4.626
236 HB3 SER 28 2HB SER 28 7.317 -11.618 -6.076
237 HG SER 28 HG SER 28 9.953 -11.105 -5.057
238 H ASP 29 H ASP 29 6.215 -8.479 -5.507
239 HA ASP 29 HA ASP 29 3.991 -8.749 -3.862
240 HB2 ASP 29 1HB ASP 29 2.906 -7.546 -6.006
241 HB3 ASP 29 2HB ASP 29 3.981 -6.692 -4.918
242 HD2 ASP 29 HD ASP 29 4.364 -5.373 -7.042
243 H LEU 30 H LEU 30 5.169 -10.459 -6.701
244 HA LEU 30 HA LEU 30 3.005 -11.295 -8.044
245 HB2 LEU 30 1HB LEU 30 5.491 -12.758 -7.199
246 HB3 LEU 30 2HB LEU 30 4.278 -13.534 -8.197
247 HG LEU 30 HG LEU 30 5.626 -10.928 -8.947
248 HD11 LEU 30 1HD1 LEU 30 6.691 -12.762 -10.649
249 HD12 LEU 30 2HD1 LEU 30 7.484 -12.169 -9.169
250 HD13 LEU 30 3HD1 LEU 30 6.590 -13.709 -9.146
251 HD21 LEU 30 1HD2 LEU 30 4.020 -10.868 -10.486
252 HD22 LEU 30 2HD2 LEU 30 4.809 -12.274 -11.240
253 HD23 LEU 30 3HD2 LEU 30 3.472 -12.514 -10.091
254 H THR 31 H THR 31 4.219 -12.776 -4.959
255 HA THR 31 HA THR 31 1.987 -14.529 -4.767
256 HB THR 31 HB THR 31 3.026 -15.076 -2.599
257 HG1 THR 31 1HG THR 31 3.385 -12.727 -2.125
258 HG21 THR 31 1HG2 THR 31 4.339 -15.600 -4.829
259 HG22 THR 31 2HG2 THR 31 5.389 -14.252 -4.331
260 HG23 THR 31 3HG2 THR 31 5.225 -15.686 -3.288
261 H ILE 32 H ILE 32 0.734 -14.491 -2.516
262 HA ILE 32 HA ILE 32 -1.012 -12.324 -2.720
263 HB ILE 32 HB ILE 32 -0.743 -14.768 -1.201
264 HG12 ILE 32 1HG1 ILE 32 -3.345 -13.356 -1.448
265 HG13 ILE 32 2HG1 ILE 32 -2.517 -13.705 -2.952
266 HG21 ILE 32 1HG2 ILE 32 -1.764 -12.334 0.280
267 HG22 ILE 32 2HG2 ILE 32 -2.140 -14.012 0.739
268 HG23 ILE 32 3HG2 ILE 32 -0.455 -13.440 0.760
269 HD11 ILE 32 1HD1 ILE 32 -2.231 -16.071 -1.429
270 HD12 ILE 32 2HD1 ILE 32 -3.905 -15.535 -1.150
271 HD13 ILE 32 3HD1 ILE 32 -3.326 -15.815 -2.810
272 HA PRO 33 HA PRO 33 0.934 -9.331 -0.293
273 HB2 PRO 33 1HB PRO 33 -1.190 -7.750 0.384
274 HB3 PRO 33 2HB PRO 33 -0.387 -7.663 -1.170
275 HG2 PRO 33 1HG PRO 33 -3.004 -8.861 -0.502
276 HG3 PRO 33 2HG PRO 33 -2.383 -8.386 -2.071
277 HD2 PRO 33 1HD PRO 33 -2.571 -11.055 -1.037
278 HD3 PRO 33 2HD PRO 33 -1.844 -10.568 -2.556
279 H VAL 34 H VAL 34 1.014 -8.200 1.870
280 HA VAL 34 HA VAL 34 0.287 -10.254 3.814
281 HB VAL 34 HB VAL 34 1.838 -8.844 5.269
282 HG11 VAL 34 1HG1 VAL 34 2.958 -10.732 4.755
283 HG12 VAL 34 2HG1 VAL 34 2.486 -10.667 3.040
284 HG13 VAL 34 3HG1 VAL 34 3.857 -9.693 3.624
285 HG21 VAL 34 1HG2 VAL 34 1.716 -6.832 3.743
286 HG22 VAL 34 2HG2 VAL 34 3.358 -7.326 4.223
287 HG23 VAL 34 3HG2 VAL 34 2.747 -7.728 2.601
288 H LYS 35 H LYS 35 -0.076 -6.759 3.030
289 HA LYS 35 HA LYS 35 -2.599 -6.688 4.308
290 HB2 LYS 35 1HB LYS 35 -1.257 -6.648 6.345
291 HB3 LYS 35 2HB LYS 35 -0.308 -5.307 5.736
292 HG2 LYS 35 1HG LYS 35 -2.241 -3.822 5.747
293 HG3 LYS 35 2HG LYS 35 -3.337 -5.152 6.061
294 HD2 LYS 35 1HD LYS 35 -2.494 -5.460 8.302
295 HD3 LYS 35 2HD LYS 35 -1.089 -4.460 7.994
296 HE2 LYS 35 1HE LYS 35 -3.589 -2.996 7.467
297 HE3 LYS 35 2HE LYS 35 -3.537 -3.611 9.107
298 HZ1 LYS 35 1HZ LYS 35 -2.460 -1.474 9.046
299 HZ2 LYS 35 2HZ LYS 35 -1.288 -2.577 9.300
300 HZ3 LYS 35 3HZ LYS 35 -1.507 -1.951 7.804
301 H ARG 36 H ARG 36 -3.450 -4.317 4.271
302 HA ARG 36 HA ARG 36 -2.031 -2.615 2.498
303 HB2 ARG 36 1HB ARG 36 -3.962 -2.520 0.821
304 HB3 ARG 36 2HB ARG 36 -3.015 -3.994 0.771
305 HG2 ARG 36 1HG ARG 36 -5.221 -4.821 0.766
306 HG3 ARG 36 2HG ARG 36 -4.782 -4.948 2.458
307 HD2 ARG 36 1HD ARG 36 -5.875 -2.288 1.861
308 HD3 ARG 36 2HD ARG 36 -6.997 -3.546 1.381
309 HE ARG 36 HE ARG 36 -6.275 -4.416 3.865
310 HH11 ARG 36 1HH ARG 36 -7.915 -2.304 6.081
311 HH12 ARG 36 2HH1 ARG 36 -7.179 -3.810 5.834
312 HH21 ARG 36 1HH2 ARG 36 -7.985 -0.762 4.248
313 HH22 ARG 36 2HH2 ARG 36 -7.291 -1.217 2.729
314 H GLY 37 H GLY 37 -3.312 -0.505 2.152
315 HA2 GLY 37 1HA GLY 37 -5.670 -0.041 3.688
316 HA3 GLY 37 2HA GLY 37 -4.243 0.532 4.528
317 H CYS 38 H CYS 38 -5.555 2.645 4.133
318 HA CYS 38 HA CYS 38 -5.091 3.646 1.437
319 HB2 CYS 38 1HB CYS 38 -6.618 5.103 3.597
320 HB3 CYS 38 2HB CYS 38 -6.714 5.305 1.859
321 H ILE 39 H ILE 39 -3.986 5.750 1.182
322 HA ILE 39 HA ILE 39 -2.675 6.862 3.483
323 HB ILE 39 HB ILE 39 -1.298 4.856 2.812
324 HG12 ILE 39 1HG1 ILE 39 0.389 7.302 2.496
325 HG13 ILE 39 2HG1 ILE 39 -0.583 7.164 3.947
326 HG21 ILE 39 1HG2 ILE 39 -0.969 4.582 0.622
327 HG22 ILE 39 2HG2 ILE 39 -1.362 6.279 0.254
328 HG23 ILE 39 3HG2 ILE 39 0.280 5.840 0.782
329 HD11 ILE 39 1HD1 ILE 39 1.473 6.120 4.523
330 HD12 ILE 39 2HD1 ILE 39 0.388 4.757 4.163
331 HD13 ILE 39 3HD1 ILE 39 1.585 5.283 2.956
332 H ASP 40 H ASP 40 -1.546 8.905 2.921
333 HA ASP 40 HA ASP 40 -2.975 10.140 0.761
334 HB2 ASP 40 1HB ASP 40 -2.912 11.421 2.787
335 HB3 ASP 40 2HB ASP 40 -1.200 11.126 3.020
336 HD2 ASP 40 HD ASP 40 -0.246 13.047 2.807
337 H VAL 41 H VAL 41 0.297 9.083 1.724
338 HA VAL 41 HA VAL 41 1.237 9.758 -0.959
339 HB VAL 41 HB VAL 41 2.562 10.487 1.655
340 HG11 VAL 41 1HG1 VAL 41 3.812 9.637 -0.776
341 HG12 VAL 41 2HG1 VAL 41 4.104 11.380 -0.568
342 HG13 VAL 41 3HG1 VAL 41 4.568 10.240 0.718
343 HG21 VAL 41 1HG2 VAL 41 1.874 12.207 -0.749
344 HG22 VAL 41 2HG2 VAL 41 0.865 12.065 0.711
345 HG23 VAL 41 3HG2 VAL 41 2.505 12.751 0.824
346 H CYS 42 H CYS 42 2.486 8.155 -1.881
347 HA CYS 42 HA CYS 42 2.401 5.630 -0.687
348 HB2 CYS 42 1HB CYS 42 2.475 6.113 -3.157
349 HB3 CYS 42 2HB CYS 42 4.174 6.509 -2.988
350 HA PRO 43 HA PRO 43 5.972 6.195 1.815
351 HB2 PRO 43 1HB PRO 43 5.905 3.780 3.093
352 HB3 PRO 43 2HB PRO 43 4.980 5.171 3.623
353 HG2 PRO 43 1HG PRO 43 4.039 2.748 2.215
354 HG3 PRO 43 2HG PRO 43 3.106 3.926 3.117
355 HD2 PRO 43 1HD PRO 43 3.291 3.701 0.263
356 HD3 PRO 43 2HD PRO 43 2.452 4.948 1.165
357 H LYS 44 H LYS 44 8.098 5.084 2.340
358 HA LYS 44 HA LYS 44 9.239 4.419 -0.142
359 HB2 LYS 44 1HB LYS 44 10.367 4.028 2.646
360 HB3 LYS 44 2HB LYS 44 11.277 4.054 1.149
361 HG2 LYS 44 1HG LYS 44 10.810 6.381 0.770
362 HG3 LYS 44 2HG LYS 44 9.514 6.400 1.949
363 HD2 LYS 44 1HD LYS 44 12.382 5.778 2.756
364 HD3 LYS 44 2HD LYS 44 11.802 7.427 2.651
365 HE2 LYS 44 1HE LYS 44 10.191 5.411 4.234
366 HE3 LYS 44 2HE LYS 44 11.646 6.079 4.947
367 HZ1 LYS 44 1HZ LYS 44 9.246 7.571 4.066
368 HZ2 LYS 44 2HZ LYS 44 9.908 7.540 5.554
369 HZ3 LYS 44 3HZ LYS 44 10.693 8.289 4.330
370 H ASN 45 H ASN 45 9.480 2.499 -1.189
371 HA ASN 45 HA ASN 45 8.088 0.286 -0.142
372 HB2 ASN 45 1HB ASN 45 8.147 0.654 -2.563
373 HB3 ASN 45 2HB ASN 45 9.899 0.663 -2.579
374 HD21 ASN 45 1HD2 ASN 45 9.346 -0.956 -4.292
375 HD22 ASN 45 2HD2 ASN 45 9.243 -2.624 -3.836
376 H SER 46 H SER 46 8.959 -1.542 0.926
377 HA SER 46 HA SER 46 11.732 -1.325 1.654
378 HB2 SER 46 1HB SER 46 11.228 -3.010 3.332
379 HB3 SER 46 2HB SER 46 9.956 -1.804 3.359
380 HG SER 46 HG SER 46 8.779 -3.647 3.307
381 H LEU 47 H LEU 47 13.096 -3.411 1.655
382 HA LEU 47 HA LEU 47 12.879 -4.585 -0.968
383 HB2 LEU 47 1HB LEU 47 15.052 -4.153 -0.644
384 HB3 LEU 47 2HB LEU 47 14.935 -4.240 1.103
385 HG LEU 47 HG LEU 47 14.654 -6.855 0.554
386 HD11 LEU 47 1HD1 LEU 47 14.773 -6.699 -1.833
387 HD12 LEU 47 2HD1 LEU 47 16.274 -5.748 -1.751
388 HD13 LEU 47 3HD1 LEU 47 16.275 -7.455 -1.251
389 HD21 LEU 47 1HD2 LEU 47 16.766 -7.135 1.421
390 HD22 LEU 47 2HD2 LEU 47 17.447 -5.767 0.509
391 HD23 LEU 47 3HD2 LEU 47 16.405 -5.465 1.920
392 H LEU 48 H LEU 48 12.179 -5.385 2.406
393 HA LEU 48 HA LEU 48 12.028 -8.200 1.909
394 HB2 LEU 48 1HB LEU 48 11.655 -6.351 4.190
395 HB3 LEU 48 2HB LEU 48 10.721 -7.834 4.243
396 HG LEU 48 HG LEU 48 12.836 -8.038 5.457
397 HD11 LEU 48 1HD1 LEU 48 12.593 -10.185 4.955
398 HD12 LEU 48 2HD1 LEU 48 11.933 -9.793 3.348
399 HD13 LEU 48 3HD1 LEU 48 13.692 -9.937 3.577
400 HD21 LEU 48 1HD2 LEU 48 14.289 -6.535 4.361
401 HD22 LEU 48 2HD2 LEU 48 14.974 -8.156 4.096
402 HD23 LEU 48 3HD2 LEU 48 14.077 -7.346 2.790
403 H VAL 49 H VAL 49 9.656 -5.507 2.442
404 HA VAL 49 HA VAL 49 7.625 -7.279 1.276
405 HB VAL 49 HB VAL 49 7.012 -4.806 2.851
406 HG11 VAL 49 1HG1 VAL 49 5.211 -5.995 1.646
407 HG12 VAL 49 2HG1 VAL 49 5.583 -7.471 2.568
408 HG13 VAL 49 3HG1 VAL 49 4.975 -6.025 3.409
409 HG21 VAL 49 1HG2 VAL 49 6.804 -6.730 4.761
410 HG22 VAL 49 2HG2 VAL 49 8.255 -7.285 3.890
411 HG23 VAL 49 3HG2 VAL 49 8.203 -5.645 4.582
412 H LYS 50 H LYS 50 6.532 -6.631 -0.563
413 HA LYS 50 HA LYS 50 7.696 -4.377 -1.940
414 HB2 LYS 50 1HB LYS 50 5.838 -6.623 -2.721
415 HB3 LYS 50 2HB LYS 50 6.094 -5.248 -3.775
416 HG2 LYS 50 1HG LYS 50 8.454 -6.769 -2.609
417 HG3 LYS 50 2HG LYS 50 7.643 -7.345 -4.052
418 HD2 LYS 50 1HD LYS 50 8.101 -5.226 -5.221
419 HD3 LYS 50 2HD LYS 50 8.766 -4.520 -3.761
420 HE2 LYS 50 1HE LYS 50 10.707 -5.200 -4.916
421 HE3 LYS 50 2HE LYS 50 10.455 -6.529 -3.801
422 HZ1 LYS 50 1HZ LYS 50 9.068 -6.829 -6.324
423 HZ2 LYS 50 2HZ LYS 50 10.690 -6.834 -6.464
424 HZ3 LYS 50 3HZ LYS 50 9.957 -7.890 -5.451
425 H TYR 51 H TYR 51 6.762 -2.397 -2.250
426 HA TYR 51 HA TYR 51 4.149 -2.031 -0.966
427 HB2 TYR 51 1HB TYR 51 6.653 -0.394 -1.583
428 HB3 TYR 51 2HB TYR 51 5.142 0.465 -1.355
429 HD1 TYR 51 1HD TYR 51 6.002 -2.620 0.504
430 HD2 TYR 51 2HD TYR 51 5.818 1.652 0.626
431 HE1 TYR 51 1HE TYR 51 6.348 -2.670 3.023
432 HE2 TYR 51 2HE TYR 51 6.165 1.588 3.144
433 HH TYR 51 HH TYR 51 6.070 -1.415 4.900
434 H VAL 52 H VAL 52 2.555 -2.310 -2.488
435 HA VAL 52 HA VAL 52 2.992 -1.023 -5.086
436 HB VAL 52 HB VAL 52 0.740 -2.902 -4.531
437 HG11 VAL 52 1HG1 VAL 52 2.501 -2.948 -6.958
438 HG12 VAL 52 2HG1 VAL 52 0.756 -3.266 -6.805
439 HG13 VAL 52 3HG1 VAL 52 1.364 -1.595 -6.743
440 HG21 VAL 52 1HG2 VAL 52 3.654 -3.664 -4.662
441 HG22 VAL 52 2HG2 VAL 52 2.385 -4.241 -3.556
442 HG23 VAL 52 3HG2 VAL 52 2.392 -4.770 -5.256
443 H CYS 53 H CYS 53 2.284 1.060 -5.023
444 HA CYS 53 HA CYS 53 -0.057 1.639 -3.410
445 HB2 CYS 53 1HB CYS 53 2.030 3.375 -4.743
446 HB3 CYS 53 2HB CYS 53 0.539 4.048 -4.114
447 H CYS 54 H CYS 54 -1.648 3.296 -4.543
448 HA CYS 54 HA CYS 54 -1.808 3.092 -7.376
449 HB2 CYS 54 1HB CYS 54 -4.185 2.031 -7.208
450 HB3 CYS 54 2HB CYS 54 -2.771 0.995 -7.230
451 H ASN 55 H ASN 55 -4.152 4.104 -7.996
452 HA ASN 55 HA ASN 55 -4.984 5.935 -5.926
453 HB2 ASN 55 1HB ASN 55 -4.863 7.872 -7.550
454 HB3 ASN 55 2HB ASN 55 -3.285 7.241 -7.127
455 HD21 ASN 55 1HD2 ASN 55 -3.581 8.729 -9.359
456 HD22 ASN 55 2HD2 ASN 55 -3.399 7.774 -10.793
457 H THR 56 H THR 56 -5.938 3.507 -7.619
458 HA THR 56 HA THR 56 -8.316 4.801 -8.784
459 HB THR 56 HB THR 56 -8.291 2.699 -10.286
460 HG1 THR 56 1HG THR 56 -6.727 1.302 -9.579
461 HG21 THR 56 1HG2 THR 56 -7.205 5.048 -10.874
462 HG22 THR 56 2HG2 THR 56 -5.666 4.200 -10.581
463 HG23 THR 56 3HG2 THR 56 -6.771 3.627 -11.854
464 H ASP 57 H ASP 57 -10.332 4.018 -8.261
465 HA ASP 57 HA ASP 57 -10.574 2.851 -5.792
466 HB2 ASP 57 1HB ASP 57 -12.638 2.672 -8.030
467 HB3 ASP 57 2HB ASP 57 -12.955 2.675 -6.306
468 HD2 ASP 57 HD ASP 57 -12.288 6.187 -6.115
469 H ARG 58 H ARG 58 -10.486 0.684 -5.136
470 HA ARG 58 HA ARG 58 -10.638 -1.488 -5.207
471 HB2 ARG 58 1HB ARG 58 -11.299 -1.464 -8.184
472 HB3 ARG 58 2HB ARG 58 -11.694 -2.706 -7.012
473 HG2 ARG 58 1HG ARG 58 -13.051 -0.797 -5.796
474 HG3 ARG 58 2HG ARG 58 -12.937 0.045 -7.330
475 HD2 ARG 58 1HD ARG 58 -13.788 -2.815 -7.521
476 HD3 ARG 58 2HD ARG 58 -14.923 -1.757 -6.707
477 HE ARG 58 HE ARG 58 -14.327 -0.282 -8.927
478 HH11 ARG 58 1HH ARG 58 -16.020 -1.843 -11.526
479 HH12 ARG 58 2HH1 ARG 58 -15.307 -0.419 -10.948
480 HH21 ARG 58 1HH2 ARG 58 -15.977 -3.785 -10.123
481 HH22 ARG 58 2HH2 ARG 58 -15.226 -3.690 -8.566
482 H CYS 59 H CYS 59 -8.270 0.202 -5.970
483 HA CYS 59 HA CYS 59 -6.873 -1.211 -7.998
484 HB2 CYS 59 1HB CYS 59 -4.954 0.188 -7.330
485 HB3 CYS 59 2HB CYS 59 -6.397 1.138 -7.619
486 H ASN 60 H ASN 60 -7.055 -1.191 -4.403
487 HA ASN 60 HA ASN 60 -5.114 -3.345 -4.359
488 HB2 ASN 60 1HB ASN 60 -5.000 -2.923 -1.923
489 HB3 ASN 60 2HB ASN 60 -4.777 -1.415 -2.789
490 HD21 ASN 60 1HD2 ASN 60 -5.654 -1.802 -0.086
491 HD22 ASN 60 2HD2 ASN 60 -7.233 -1.109 0.080
492 H1 HOH 101 1H HOH 61 3.933 -12.837 -0.252
493 H2 HOH 101 2H HOH 61 2.753 -12.790 0.695
Start of MODEL 8
1 H1 LEU 1 H LEU 1 -10.107 8.472 -3.205
2 HA LEU 1 HA LEU 1 -12.131 7.047 -4.078
3 HB2 LEU 1 1HB LEU 1 -10.662 5.790 -5.372
4 HB3 LEU 1 2HB LEU 1 -9.839 7.309 -5.074
5 HG LEU 1 HG LEU 1 -9.196 5.197 -3.120
6 HD11 LEU 1 1HD1 LEU 1 -9.481 3.816 -5.138
7 HD12 LEU 1 2HD1 LEU 1 -8.318 4.852 -6.001
8 HD13 LEU 1 3HD1 LEU 1 -7.785 3.889 -4.601
9 HD21 LEU 1 1HD2 LEU 1 -7.411 6.918 -4.859
10 HD22 LEU 1 2HD2 LEU 1 -8.078 7.420 -3.286
11 HD23 LEU 1 3HD2 LEU 1 -6.964 6.035 -3.380
12 H LYS 2 H LYS 2 -12.314 4.482 -4.172
13 HA LYS 2 HA LYS 2 -12.467 3.644 -1.367
14 HB2 LYS 2 1HB LYS 2 -14.032 2.593 -3.741
15 HB3 LYS 2 2HB LYS 2 -14.272 2.178 -2.055
16 HG2 LYS 2 1HG LYS 2 -15.502 4.055 -1.666
17 HG3 LYS 2 2HG LYS 2 -14.310 5.089 -2.429
18 HD2 LYS 2 1HD LYS 2 -16.284 5.312 -3.766
19 HD3 LYS 2 2HD LYS 2 -15.214 4.281 -4.695
20 HE2 LYS 2 1HE LYS 2 -16.650 2.512 -4.586
21 HE3 LYS 2 2HE LYS 2 -16.878 2.700 -2.859
22 HZ1 LYS 2 1HZ LYS 2 -18.496 4.452 -3.299
23 HZ2 LYS 2 2HZ LYS 2 -18.245 4.365 -4.905
24 HZ3 LYS 2 3HZ LYS 2 -18.884 3.085 -4.111
25 H CYS 3 H CYS 3 -11.568 1.683 -0.697
26 HA CYS 3 HA CYS 3 -10.210 0.133 -2.751
27 HB2 CYS 3 1HB CYS 3 -8.864 1.360 -0.331
28 HB3 CYS 3 2HB CYS 3 -8.201 -0.024 -1.176
29 H ASN 4 H ASN 4 -9.691 -2.095 -1.936
30 HA ASN 4 HA ASN 4 -11.717 -2.878 -0.049
31 HB2 ASN 4 1HB ASN 4 -9.774 -4.655 -1.610
32 HB3 ASN 4 2HB ASN 4 -11.264 -5.164 -0.838
33 HD21 ASN 4 1HD2 ASN 4 -9.842 -3.312 -3.449
34 HD22 ASN 4 2HD2 ASN 4 -11.230 -3.238 -4.481
35 H LYS 5 H LYS 5 -11.015 -4.691 1.591
36 HA LYS 5 HA LYS 5 -8.620 -3.758 2.919
37 HB2 LYS 5 1HB LYS 5 -10.547 -5.883 3.874
38 HB3 LYS 5 2HB LYS 5 -9.432 -4.925 4.828
39 HG2 LYS 5 1HG LYS 5 -11.071 -3.393 5.139
40 HG3 LYS 5 2HG LYS 5 -11.020 -3.031 3.425
41 HD2 LYS 5 1HD LYS 5 -12.603 -5.017 3.059
42 HD3 LYS 5 2HD LYS 5 -12.768 -5.120 4.801
43 HE2 LYS 5 1HE LYS 5 -13.156 -2.368 3.777
44 HE3 LYS 5 2HE LYS 5 -14.305 -3.509 3.106
45 HZ1 LYS 5 1HZ LYS 5 -13.796 -3.476 6.015
46 HZ2 LYS 5 2HZ LYS 5 -14.852 -2.424 5.361
47 HZ3 LYS 5 3HZ LYS 5 -15.086 -4.032 5.177
48 H LEU 6 H LEU 6 -8.469 -6.607 4.166
49 HA LEU 6 HA LEU 6 -6.263 -7.470 2.785
50 HB2 LEU 6 1HB LEU 6 -6.719 -8.165 5.018
51 HB3 LEU 6 2HB LEU 6 -8.220 -8.937 4.547
52 HG LEU 6 HG LEU 6 -6.250 -10.191 2.987
53 HD11 LEU 6 1HD1 LEU 6 -5.145 -9.273 5.558
54 HD12 LEU 6 2HD1 LEU 6 -4.944 -11.012 5.235
55 HD13 LEU 6 3HD1 LEU 6 -4.325 -9.813 4.074
56 HD21 LEU 6 1HD2 LEU 6 -7.102 -11.500 5.512
57 HD22 LEU 6 2HD2 LEU 6 -8.392 -10.943 4.418
58 HD23 LEU 6 3HD2 LEU 6 -7.158 -12.084 3.832
59 H VAL 7 H VAL 7 -9.735 -8.216 2.268
60 HA VAL 7 HA VAL 7 -8.926 -9.748 -0.104
61 HB VAL 7 HB VAL 7 -11.363 -9.893 1.672
62 HG11 VAL 7 1HG1 VAL 7 -12.352 -11.475 0.187
63 HG12 VAL 7 2HG1 VAL 7 -11.913 -10.056 -0.795
64 HG13 VAL 7 3HG1 VAL 7 -10.900 -11.520 -0.843
65 HG21 VAL 7 1HG2 VAL 7 -9.195 -11.052 2.339
66 HG22 VAL 7 2HG2 VAL 7 -10.639 -12.086 2.222
67 HG23 VAL 7 3HG2 VAL 7 -9.428 -12.097 0.918
68 HA PRO 8 HA PRO 8 -10.683 -6.505 -2.382
69 HB2 PRO 8 1HB PRO 8 -10.658 -7.654 -4.861
70 HB3 PRO 8 2HB PRO 8 -9.255 -6.885 -4.147
71 HG2 PRO 8 1HG PRO 8 -9.822 -9.768 -4.476
72 HG3 PRO 8 2HG PRO 8 -8.287 -8.979 -4.168
73 HD2 PRO 8 1HD PRO 8 -9.897 -10.401 -2.267
74 HD3 PRO 8 2HD PRO 8 -8.422 -9.514 -1.936
75 H ILE 9 H ILE 9 -12.524 -7.769 -0.826
76 HA ILE 9 HA ILE 9 -14.711 -8.052 -2.769
77 HB ILE 9 HB ILE 9 -14.026 -10.168 -1.643
78 HG12 ILE 9 1HG1 ILE 9 -16.273 -9.838 -2.579
79 HG13 ILE 9 2HG1 ILE 9 -16.292 -10.892 -1.179
80 HG21 ILE 9 1HG2 ILE 9 -13.336 -9.493 0.509
81 HG22 ILE 9 2HG2 ILE 9 -14.864 -8.637 0.823
82 HG23 ILE 9 3HG2 ILE 9 -14.839 -10.415 0.753
83 HD11 ILE 9 1HD1 ILE 9 -16.668 -8.460 0.041
84 HD12 ILE 9 2HD1 ILE 9 -17.467 -8.179 -1.526
85 HD13 ILE 9 3HD1 ILE 9 -17.994 -9.524 -0.486
86 H ALA 10 H ALA 10 -13.617 -6.909 0.464
87 HA ALA 10 HA ALA 10 -16.004 -5.194 0.522
88 HB1 ALA 10 1HB ALA 10 -15.940 -6.715 2.402
89 HB2 ALA 10 2HB ALA 10 -14.241 -6.307 2.738
90 HB3 ALA 10 3HB ALA 10 -15.515 -5.091 2.994
91 H TYR 11 H TYR 11 -15.703 -3.033 0.258
92 HA TYR 11 HA TYR 11 -13.106 -1.911 0.957
93 HB2 TYR 11 1HB TYR 11 -13.153 -0.769 -1.335
94 HB3 TYR 11 2HB TYR 11 -12.972 -2.509 -1.455
95 HD1 TYR 11 1HD TYR 11 -15.037 -3.919 -1.976
96 HD2 TYR 11 2HD TYR 11 -14.979 0.342 -2.359
97 HE1 TYR 11 1HE TYR 11 -17.077 -4.020 -3.491
98 HE2 TYR 11 2HE TYR 11 -17.020 0.226 -3.872
99 HH TYR 11 HH TYR 11 -19.046 -1.851 -4.005
100 H LYS 12 H LYS 12 -13.159 0.406 1.282
101 HA LYS 12 HA LYS 12 -15.832 1.580 1.223
102 HB2 LYS 12 1HB LYS 12 -14.210 0.982 3.639
103 HB3 LYS 12 2HB LYS 12 -14.935 2.576 3.576
104 HG2 LYS 12 1HG LYS 12 -16.579 0.101 2.936
105 HG3 LYS 12 2HG LYS 12 -16.329 0.601 4.597
106 HD2 LYS 12 1HD LYS 12 -17.336 2.575 2.515
107 HD3 LYS 12 2HD LYS 12 -18.444 1.488 3.329
108 HE2 LYS 12 1HE LYS 12 -16.858 2.561 5.413
109 HE3 LYS 12 2HE LYS 12 -17.149 3.920 4.346
110 HZ1 LYS 12 1HZ LYS 12 -19.496 2.306 4.826
111 HZ2 LYS 12 2HZ LYS 12 -18.923 3.021 6.172
112 HZ3 LYS 12 3HZ LYS 12 -19.281 3.927 4.857
113 H THR 13 H THR 13 -15.583 4.061 1.796
114 HA THR 13 HA THR 13 -13.519 5.024 0.006
115 HB THR 13 HB THR 13 -16.108 5.982 1.197
116 HG1 THR 13 1HG THR 13 -16.216 6.602 -1.093
117 HG21 THR 13 1HG2 THR 13 -15.263 8.268 -0.006
118 HG22 THR 13 2HG2 THR 13 -15.105 8.017 1.749
119 HG23 THR 13 3HG2 THR 13 -13.711 7.731 0.680
120 H CYS 14 H CYS 14 -11.747 6.239 0.510
121 HA CYS 14 HA CYS 14 -11.326 6.624 3.385
122 HB2 CYS 14 1HB CYS 14 -9.421 5.718 1.229
123 HB3 CYS 14 2HB CYS 14 -8.821 6.512 2.672
124 HA PRO 15 HA PRO 15 -11.320 10.660 1.308
125 HB2 PRO 15 1HB PRO 15 -12.974 11.959 3.053
126 HB3 PRO 15 2HB PRO 15 -13.544 11.186 1.587
127 HG2 PRO 15 1HG PRO 15 -13.800 10.270 4.385
128 HG3 PRO 15 2HG PRO 15 -14.705 9.757 2.975
129 HD2 PRO 15 1HD PRO 15 -12.584 8.324 4.267
130 HD3 PRO 15 2HD PRO 15 -13.410 7.867 2.791
131 H GLU 16 H GLU 16 -11.279 10.176 4.803
132 HA GLU 16 HA GLU 16 -10.045 12.331 5.643
133 HB2 GLU 16 1HB GLU 16 -10.594 10.323 7.028
134 HB3 GLU 16 2HB GLU 16 -9.190 9.496 6.382
135 HG2 GLU 16 1HG GLU 16 -7.663 10.920 7.500
136 HG3 GLU 16 2HG GLU 16 -8.832 12.213 7.670
137 HE2 GLU 16 HE GLU 16 -8.564 12.298 9.782
138 H GLY 17 H GLY 17 -8.718 13.397 4.099
139 HA2 GLY 17 1HA GLY 17 -6.949 13.540 2.602
140 HA3 GLY 17 2HA GLY 17 -6.144 13.509 4.158
141 H LYS 18 H LYS 18 -7.783 10.918 2.200
142 HA LYS 18 HA LYS 18 -5.200 9.598 1.927
143 HB2 LYS 18 1HB LYS 18 -7.588 8.475 3.387
144 HB3 LYS 18 2HB LYS 18 -6.438 7.419 2.593
145 HG2 LYS 18 1HG LYS 18 -4.644 8.088 3.994
146 HG3 LYS 18 2HG LYS 18 -5.421 9.594 4.441
147 HD2 LYS 18 1HD LYS 18 -7.254 8.092 5.555
148 HD3 LYS 18 2HD LYS 18 -6.098 6.785 5.393
149 HE2 LYS 18 1HE LYS 18 -5.378 9.429 6.732
150 HE3 LYS 18 2HE LYS 18 -6.067 8.089 7.626
151 HZ1 LYS 18 1HZ LYS 18 -3.391 8.402 6.738
152 HZ2 LYS 18 2HZ LYS 18 -3.990 7.275 7.749
153 HZ3 LYS 18 3HZ LYS 18 -4.047 7.031 6.132
154 H ASN 19 H ASN 19 -5.693 10.641 -0.244
155 HA ASN 19 HA ASN 19 -7.798 9.293 -1.669
156 HB2 ASN 19 1HB ASN 19 -6.974 11.848 -1.838
157 HB3 ASN 19 2HB ASN 19 -5.816 11.182 -2.973
158 HD21 ASN 19 1HD2 ASN 19 -6.897 12.534 -4.519
159 HD22 ASN 19 2HD2 ASN 19 -8.335 11.992 -5.319
160 H LEU 20 H LEU 20 -5.231 7.952 -0.637
161 HA LEU 20 HA LEU 20 -4.436 6.812 -3.203
162 HB2 LEU 20 1HB LEU 20 -2.571 7.937 -1.118
163 HB3 LEU 20 2HB LEU 20 -2.061 6.761 -2.312
164 HG LEU 20 HG LEU 20 -3.095 9.557 -2.840
165 HD11 LEU 20 1HD1 LEU 20 -0.498 8.536 -2.298
166 HD12 LEU 20 2HD1 LEU 20 -0.550 9.008 -4.014
167 HD13 LEU 20 3HD1 LEU 20 -0.974 10.190 -2.753
168 HD21 LEU 20 1HD2 LEU 20 -3.831 8.774 -4.796
169 HD22 LEU 20 2HD2 LEU 20 -2.114 8.611 -5.238
170 HD23 LEU 20 3HD2 LEU 20 -3.003 7.212 -4.588
171 H CYS 21 H CYS 21 -3.669 4.604 -3.033
172 HA CYS 21 HA CYS 21 -4.305 3.410 -0.435
173 HB2 CYS 21 1HB CYS 21 -5.174 2.498 -3.184
174 HB3 CYS 21 2HB CYS 21 -5.099 1.392 -1.827
175 H TYR 22 H TYR 22 -3.120 1.303 -0.090
176 HA TYR 22 HA TYR 22 -0.848 0.895 -1.864
177 HB2 TYR 22 1HB TYR 22 0.707 1.171 0.014
178 HB3 TYR 22 2HB TYR 22 -0.335 2.580 0.050
179 HD1 TYR 22 1HD TYR 22 0.239 -0.748 1.614
180 HD2 TYR 22 2HD TYR 22 -1.699 3.053 1.941
181 HE1 TYR 22 1HE TYR 22 -0.389 -1.267 4.022
182 HE2 TYR 22 2HE TYR 22 -2.321 2.520 4.348
183 HH TYR 22 HH TYR 22 -2.532 0.837 5.819
184 H LYS 23 H LYS 23 0.229 -1.190 -1.503
185 HA LYS 23 HA LYS 23 -1.166 -2.999 0.290
186 HB2 LYS 23 1HB LYS 23 -1.399 -4.675 -1.584
187 HB3 LYS 23 2HB LYS 23 -2.510 -3.320 -1.627
188 HG2 LYS 23 1HG LYS 23 0.055 -2.855 -3.072
189 HG3 LYS 23 2HG LYS 23 -0.938 -4.130 -3.752
190 HD2 LYS 23 1HD LYS 23 -2.531 -1.754 -3.024
191 HD3 LYS 23 2HD LYS 23 -1.263 -1.369 -4.171
192 HE2 LYS 23 1HE LYS 23 -3.064 -3.781 -4.604
193 HE3 LYS 23 2HE LYS 23 -3.581 -2.179 -5.094
194 HZ1 LYS 23 1HZ LYS 23 -2.326 -2.434 -6.922
195 HZ2 LYS 23 2HZ LYS 23 -0.969 -2.521 -6.027
196 HZ3 LYS 23 3HZ LYS 23 -1.806 -3.884 -6.371
197 H MET 24 H MET 24 0.362 -4.037 1.442
198 HA MET 24 HA MET 24 3.029 -4.072 0.326
199 HB2 MET 24 1HB MET 24 1.771 -4.356 3.068
200 HB3 MET 24 2HB MET 24 3.342 -5.091 2.825
201 HG2 MET 24 1HG MET 24 4.275 -2.911 2.073
202 HG3 MET 24 2HG MET 24 2.699 -2.162 2.226
203 HE1 MET 24 1HE MET 24 1.284 -2.678 4.178
204 HE2 MET 24 2HE MET 24 1.865 -3.656 5.547
205 HE3 MET 24 3HE MET 24 1.819 -1.881 5.677
206 H PHE 25 H PHE 25 3.983 -5.900 -0.487
207 HA PHE 25 HA PHE 25 2.554 -8.418 -0.002
208 HB2 PHE 25 1HB PHE 25 4.392 -7.458 -2.278
209 HB3 PHE 25 2HB PHE 25 3.629 -9.034 -2.230
210 HD1 PHE 25 1HD PHE 25 1.249 -9.280 -2.669
211 HD2 PHE 25 2HD PHE 25 3.095 -5.461 -2.781
212 HE1 PHE 25 1HE PHE 25 -0.758 -8.344 -3.850
213 HE2 PHE 25 2HE PHE 25 1.088 -4.525 -3.963
214 HZ PHE 25 HZ PHE 25 -0.814 -5.978 -4.484
215 H MET 26 H MET 26 3.771 -10.322 0.456
216 HA MET 26 HA MET 26 6.254 -9.727 1.743
217 HB2 MET 26 1HB MET 26 4.143 -11.589 2.070
218 HB3 MET 26 2HB MET 26 5.479 -12.578 1.515
219 HG2 MET 26 1HG MET 26 6.929 -11.502 3.323
220 HG3 MET 26 2HG MET 26 5.490 -10.706 3.930
221 HE1 MET 26 1HE MET 26 6.622 -11.905 5.992
222 HE2 MET 26 2HE MET 26 6.213 -13.566 6.486
223 HE3 MET 26 3HE MET 26 7.543 -13.281 5.338
224 H MET 27 H MET 27 8.321 -10.326 1.077
225 HA MET 27 HA MET 27 9.923 -10.964 -0.245
226 HB2 MET 27 1HB MET 27 7.827 -13.039 -1.073
227 HB3 MET 27 2HB MET 27 9.466 -13.084 -1.692
228 HG2 MET 27 1HG MET 27 9.649 -12.769 1.164
229 HG3 MET 27 2HG MET 27 8.479 -14.036 0.861
230 HE1 MET 27 1HE MET 27 10.366 -16.465 1.515
231 HE2 MET 27 2HE MET 27 11.851 -15.547 1.862
232 HE3 MET 27 3HE MET 27 10.270 -14.905 2.367
233 H SER 28 H SER 28 7.208 -11.813 -2.497
234 HA SER 28 HA SER 28 8.257 -9.730 -4.250
235 HB2 SER 28 1HB SER 28 8.449 -12.272 -4.901
236 HB3 SER 28 2HB SER 28 6.736 -12.156 -5.244
237 HG SER 28 HG SER 28 8.458 -10.154 -6.335
238 H ASP 29 H ASP 29 6.472 -8.987 -5.914
239 HA ASP 29 HA ASP 29 4.138 -8.428 -4.314
240 HB2 ASP 29 1HB ASP 29 3.757 -7.020 -6.628
241 HB3 ASP 29 2HB ASP 29 4.651 -6.403 -5.251
242 HD2 ASP 29 HD ASP 29 4.871 -7.597 -8.370
243 H LEU 30 H LEU 30 5.254 -10.042 -7.310
244 HA LEU 30 HA LEU 30 2.973 -10.358 -8.732
245 HB2 LEU 30 1HB LEU 30 5.253 -12.265 -8.232
246 HB3 LEU 30 2HB LEU 30 3.976 -12.602 -9.383
247 HG LEU 30 HG LEU 30 5.631 -10.080 -9.537
248 HD11 LEU 30 1HD1 LEU 30 6.247 -12.585 -11.102
249 HD12 LEU 30 2HD1 LEU 30 7.218 -11.104 -10.932
250 HD13 LEU 30 3HD1 LEU 30 7.036 -12.211 -9.551
251 HD21 LEU 30 1HD2 LEU 30 3.888 -11.574 -11.510
252 HD22 LEU 30 2HD2 LEU 30 3.624 -9.954 -10.822
253 HD23 LEU 30 3HD2 LEU 30 4.971 -10.232 -11.952
254 H THR 31 H THR 31 3.930 -12.017 -5.704
255 HA THR 31 HA THR 31 1.662 -13.786 -5.803
256 HB THR 31 HB THR 31 2.579 -14.513 -3.610
257 HG1 THR 31 1HG THR 31 4.148 -13.141 -2.641
258 HG21 THR 31 1HG2 THR 31 4.489 -15.474 -4.472
259 HG22 THR 31 2HG2 THR 31 3.991 -14.706 -5.999
260 HG23 THR 31 3HG2 THR 31 5.172 -13.898 -4.939
261 H ILE 32 H ILE 32 0.299 -13.879 -3.633
262 HA ILE 32 HA ILE 32 -1.293 -11.569 -3.703
263 HB ILE 32 HB ILE 32 -1.326 -14.201 -2.516
264 HG12 ILE 32 1HG1 ILE 32 -3.909 -13.279 -2.569
265 HG13 ILE 32 2HG1 ILE 32 -3.152 -12.255 -3.773
266 HG21 ILE 32 1HG2 ILE 32 -1.147 -13.278 -0.365
267 HG22 ILE 32 2HG2 ILE 32 -2.173 -11.883 -0.779
268 HG23 ILE 32 3HG2 ILE 32 -2.893 -13.503 -0.624
269 HD11 ILE 32 1HD1 ILE 32 -3.882 -14.201 -4.961
270 HD12 ILE 32 2HD1 ILE 32 -2.124 -14.405 -4.766
271 HD13 ILE 32 3HD1 ILE 32 -3.246 -15.296 -3.710
272 HA PRO 33 HA PRO 33 0.653 -9.089 -0.755
273 HB2 PRO 33 1HB PRO 33 -1.405 -7.458 -0.001
274 HB3 PRO 33 2HB PRO 33 -0.485 -7.220 -1.473
275 HG2 PRO 33 1HG PRO 33 -3.219 -8.298 -1.150
276 HG3 PRO 33 2HG PRO 33 -2.453 -7.662 -2.592
277 HD2 PRO 33 1HD PRO 33 -2.894 -10.424 -1.957
278 HD3 PRO 33 2HD PRO 33 -2.026 -9.794 -3.342
279 H VAL 34 H VAL 34 0.576 -8.218 1.554
280 HA VAL 34 HA VAL 34 -0.586 -10.398 3.145
281 HB VAL 34 HB VAL 34 1.192 -10.112 4.684
282 HG11 VAL 34 1HG1 VAL 34 1.592 -10.941 2.066
283 HG12 VAL 34 2HG1 VAL 34 2.960 -9.841 2.367
284 HG13 VAL 34 3HG1 VAL 34 2.683 -11.234 3.442
285 HG21 VAL 34 1HG2 VAL 34 3.032 -8.313 3.835
286 HG22 VAL 34 2HG2 VAL 34 1.535 -7.497 3.325
287 HG23 VAL 34 3HG2 VAL 34 1.766 -7.947 5.031
288 H LYS 35 H LYS 35 -0.199 -6.877 2.692
289 HA LYS 35 HA LYS 35 -2.540 -6.475 4.322
290 HB2 LYS 35 1HB LYS 35 -0.797 -6.447 6.027
291 HB3 LYS 35 2HB LYS 35 0.128 -5.271 5.115
292 HG2 LYS 35 1HG LYS 35 -1.085 -4.035 6.796
293 HG3 LYS 35 2HG LYS 35 -1.863 -3.688 5.264
294 HD2 LYS 35 1HD LYS 35 -3.693 -5.193 5.732
295 HD3 LYS 35 2HD LYS 35 -2.845 -5.931 7.077
296 HE2 LYS 35 1HE LYS 35 -3.005 -3.074 7.549
297 HE3 LYS 35 2HE LYS 35 -4.603 -3.657 7.130
298 HZ1 LYS 35 1HZ LYS 35 -4.730 -4.497 9.193
299 HZ2 LYS 35 2HZ LYS 35 -3.501 -5.520 8.889
300 HZ3 LYS 35 3HZ LYS 35 -3.190 -4.031 9.489
301 H ARG 36 H ARG 36 -3.447 -4.295 4.014
302 HA ARG 36 HA ARG 36 -2.191 -2.565 2.195
303 HB2 ARG 36 1HB ARG 36 -3.881 -2.750 0.352
304 HB3 ARG 36 2HB ARG 36 -2.942 -4.220 0.529
305 HG2 ARG 36 1HG ARG 36 -5.170 -4.504 2.292
306 HG3 ARG 36 2HG ARG 36 -5.820 -3.844 0.804
307 HD2 ARG 36 1HD ARG 36 -4.137 -6.377 1.093
308 HD3 ARG 36 2HD ARG 36 -5.832 -6.291 0.656
309 HE ARG 36 HE ARG 36 -3.990 -4.815 -1.125
310 HH11 ARG 36 1HH ARG 36 -4.609 -6.924 -3.815
311 HH12 ARG 36 2HH1 ARG 36 -3.912 -5.477 -3.273
312 HH21 ARG 36 1HH2 ARG 36 -5.721 -8.317 -2.212
313 HH22 ARG 36 2HH2 ARG 36 -5.787 -7.817 -0.556
314 H GLY 37 H GLY 37 -3.226 -0.493 2.229
315 HA2 GLY 37 1HA GLY 37 -5.902 -0.250 3.318
316 HA3 GLY 37 2HA GLY 37 -4.623 0.327 4.368
317 H CYS 38 H CYS 38 -5.874 2.436 3.984
318 HA CYS 38 HA CYS 38 -5.309 3.599 1.387
319 HB2 CYS 38 1HB CYS 38 -6.787 4.972 3.632
320 HB3 CYS 38 2HB CYS 38 -6.880 5.278 1.910
321 H ILE 39 H ILE 39 -4.366 5.899 1.410
322 HA ILE 39 HA ILE 39 -2.958 6.756 3.711
323 HB ILE 39 HB ILE 39 -1.607 4.771 2.945
324 HG12 ILE 39 1HG1 ILE 39 0.137 7.187 2.765
325 HG13 ILE 39 2HG1 ILE 39 -0.865 7.021 4.193
326 HG21 ILE 39 1HG2 ILE 39 -1.712 6.237 0.452
327 HG22 ILE 39 2HG2 ILE 39 -0.029 5.955 0.961
328 HG23 ILE 39 3HG2 ILE 39 -1.147 4.581 0.781
329 HD11 ILE 39 1HD1 ILE 39 1.242 5.088 3.159
330 HD12 ILE 39 2HD1 ILE 39 1.180 5.911 4.736
331 HD13 ILE 39 3HD1 ILE 39 0.033 4.601 4.371
332 H ASP 40 H ASP 40 -1.285 8.589 2.888
333 HA ASP 40 HA ASP 40 -2.827 10.044 0.895
334 HB2 ASP 40 1HB ASP 40 -2.742 11.140 3.091
335 HB3 ASP 40 2HB ASP 40 -0.998 10.986 3.148
336 HD2 ASP 40 HD ASP 40 -0.508 13.991 1.993
337 H VAL 41 H VAL 41 0.500 9.325 2.161
338 HA VAL 41 HA VAL 41 1.534 9.928 -0.525
339 HB VAL 41 HB VAL 41 2.769 10.437 2.186
340 HG11 VAL 41 1HG1 VAL 41 4.007 10.040 -0.452
341 HG12 VAL 41 2HG1 VAL 41 4.464 11.570 0.336
342 HG13 VAL 41 3HG1 VAL 41 4.733 10.022 1.173
343 HG21 VAL 41 1HG2 VAL 41 2.437 12.680 1.838
344 HG22 VAL 41 2HG2 VAL 41 2.472 12.526 0.065
345 HG23 VAL 41 3HG2 VAL 41 1.023 12.033 0.972
346 H CYS 42 H CYS 42 2.847 8.377 -1.467
347 HA CYS 42 HA CYS 42 2.647 5.780 -0.439
348 HB2 CYS 42 1HB CYS 42 2.865 6.449 -2.874
349 HB3 CYS 42 2HB CYS 42 4.570 6.730 -2.582
350 HA PRO 43 HA PRO 43 6.099 6.135 2.260
351 HB2 PRO 43 1HB PRO 43 5.940 3.648 3.382
352 HB3 PRO 43 2HB PRO 43 5.008 5.018 3.953
353 HG2 PRO 43 1HG PRO 43 4.108 2.700 2.355
354 HG3 PRO 43 2HG PRO 43 3.145 3.834 3.281
355 HD2 PRO 43 1HD PRO 43 3.466 3.782 0.431
356 HD3 PRO 43 2HD PRO 43 2.600 4.984 1.367
357 H LYS 44 H LYS 44 8.176 4.935 2.830
358 HA LYS 44 HA LYS 44 9.402 4.373 0.342
359 HB2 LYS 44 1HB LYS 44 10.385 4.071 3.195
360 HB3 LYS 44 2HB LYS 44 11.388 3.874 1.773
361 HG2 LYS 44 1HG LYS 44 11.752 6.113 1.830
362 HG3 LYS 44 2HG LYS 44 10.090 6.326 1.315
363 HD2 LYS 44 1HD LYS 44 10.395 7.637 3.333
364 HD3 LYS 44 2HD LYS 44 9.377 6.271 3.746
365 HE2 LYS 44 1HE LYS 44 10.861 5.904 5.444
366 HE3 LYS 44 2HE LYS 44 11.900 5.220 4.210
367 HZ1 LYS 44 1HZ LYS 44 13.231 7.060 4.227
368 HZ2 LYS 44 2HZ LYS 44 12.019 8.117 4.483
369 HZ3 LYS 44 3HZ LYS 44 12.599 7.227 5.727
370 H ASN 45 H ASN 45 9.743 2.464 -0.710
371 HA ASN 45 HA ASN 45 8.306 0.230 0.233
372 HB2 ASN 45 1HB ASN 45 8.490 0.638 -2.178
373 HB3 ASN 45 2HB ASN 45 10.241 0.643 -2.102
374 HD21 ASN 45 1HD2 ASN 45 9.943 -0.956 -3.822
375 HD22 ASN 45 2HD2 ASN 45 9.756 -2.628 -3.409
376 H SER 46 H SER 46 9.168 -1.737 1.119
377 HA SER 46 HA SER 46 11.879 -1.472 2.082
378 HB2 SER 46 1HB SER 46 11.307 -3.195 3.680
379 HB3 SER 46 2HB SER 46 9.986 -2.045 3.645
380 HG SER 46 HG SER 46 9.520 -3.969 1.758
381 H LEU 47 H LEU 47 13.100 -3.749 2.221
382 HA LEU 47 HA LEU 47 13.141 -4.736 -0.505
383 HB2 LEU 47 1HB LEU 47 15.287 -4.375 0.014
384 HB3 LEU 47 2HB LEU 47 15.020 -4.517 1.740
385 HG LEU 47 HG LEU 47 14.848 -7.055 1.336
386 HD11 LEU 47 1HD1 LEU 47 14.699 -7.525 -0.873
387 HD12 LEU 47 2HD1 LEU 47 15.633 -6.091 -1.361
388 HD13 LEU 47 3HD1 LEU 47 16.474 -7.533 -0.744
389 HD21 LEU 47 1HD2 LEU 47 17.036 -5.315 1.820
390 HD22 LEU 47 2HD2 LEU 47 16.837 -7.014 2.311
391 HD23 LEU 47 3HD2 LEU 47 17.617 -6.622 0.760
392 H LEU 48 H LEU 48 12.158 -5.675 2.763
393 HA LEU 48 HA LEU 48 11.984 -8.458 2.110
394 HB2 LEU 48 1HB LEU 48 11.403 -6.724 4.458
395 HB3 LEU 48 2HB LEU 48 10.569 -8.261 4.358
396 HG LEU 48 HG LEU 48 12.685 -8.264 5.705
397 HD11 LEU 48 1HD1 LEU 48 12.324 -10.139 3.370
398 HD12 LEU 48 2HD1 LEU 48 13.591 -10.383 4.596
399 HD13 LEU 48 3HD1 LEU 48 11.877 -10.375 5.076
400 HD21 LEU 48 1HD2 LEU 48 14.807 -8.514 4.265
401 HD22 LEU 48 2HD2 LEU 48 13.880 -7.663 3.006
402 HD23 LEU 48 3HD2 LEU 48 14.179 -6.877 4.575
403 H VAL 49 H VAL 49 9.591 -5.799 2.754
404 HA VAL 49 HA VAL 49 7.621 -7.433 1.322
405 HB VAL 49 HB VAL 49 6.962 -5.019 2.967
406 HG11 VAL 49 1HG1 VAL 49 5.210 -6.107 1.618
407 HG12 VAL 49 2HG1 VAL 49 5.511 -7.642 2.468
408 HG13 VAL 49 3HG1 VAL 49 4.878 -6.238 3.361
409 HG21 VAL 49 1HG2 VAL 49 8.138 -7.532 3.972
410 HG22 VAL 49 2HG2 VAL 49 7.990 -5.938 4.751
411 HG23 VAL 49 3HG2 VAL 49 6.611 -7.063 4.756
412 H LYS 50 H LYS 50 6.650 -6.670 -0.542
413 HA LYS 50 HA LYS 50 7.951 -4.388 -1.741
414 HB2 LYS 50 1HB LYS 50 6.140 -6.586 -2.716
415 HB3 LYS 50 2HB LYS 50 6.380 -5.147 -3.687
416 HG2 LYS 50 1HG LYS 50 8.797 -6.572 -2.546
417 HG3 LYS 50 2HG LYS 50 8.002 -7.242 -3.956
418 HD2 LYS 50 1HD LYS 50 8.378 -5.227 -5.249
419 HD3 LYS 50 2HD LYS 50 8.851 -4.319 -3.828
420 HE2 LYS 50 1HE LYS 50 10.449 -6.792 -4.418
421 HE3 LYS 50 2HE LYS 50 10.651 -5.452 -5.530
422 HZ1 LYS 50 1HZ LYS 50 12.109 -4.748 -3.958
423 HZ2 LYS 50 2HZ LYS 50 10.803 -4.200 -3.154
424 HZ3 LYS 50 3HZ LYS 50 11.424 -5.670 -2.791
425 H TYR 51 H TYR 51 7.077 -2.376 -2.033
426 HA TYR 51 HA TYR 51 4.407 -1.995 -0.878
427 HB2 TYR 51 1HB TYR 51 6.985 -0.409 -1.273
428 HB3 TYR 51 2HB TYR 51 5.489 0.490 -1.124
429 HD1 TYR 51 1HD TYR 51 6.100 1.597 0.933
430 HD2 TYR 51 2HD TYR 51 6.077 -2.675 0.694
431 HE1 TYR 51 1HE TYR 51 6.263 1.446 3.467
432 HE2 TYR 51 2HE TYR 51 6.241 -2.811 3.228
433 HH TYR 51 HH TYR 51 6.808 0.047 5.152
434 H VAL 52 H VAL 52 2.751 -1.725 -2.281
435 HA VAL 52 HA VAL 52 3.388 -0.416 -4.833
436 HB VAL 52 HB VAL 52 1.193 -2.434 -4.590
437 HG11 VAL 52 1HG1 VAL 52 3.051 -1.625 -6.854
438 HG12 VAL 52 2HG1 VAL 52 1.713 -2.794 -6.969
439 HG13 VAL 52 3HG1 VAL 52 1.372 -1.081 -6.625
440 HG21 VAL 52 1HG2 VAL 52 2.853 -4.186 -5.365
441 HG22 VAL 52 2HG2 VAL 52 4.144 -3.070 -4.859
442 HG23 VAL 52 3HG2 VAL 52 2.989 -3.696 -3.659
443 H CYS 53 H CYS 53 2.493 1.577 -4.823
444 HA CYS 53 HA CYS 53 0.125 1.973 -3.187
445 HB2 CYS 53 1HB CYS 53 2.033 3.932 -4.500
446 HB3 CYS 53 2HB CYS 53 0.570 4.415 -3.666
447 H CYS 54 H CYS 54 -1.692 3.302 -4.187
448 HA CYS 54 HA CYS 54 -1.777 3.325 -7.057
449 HB2 CYS 54 1HB CYS 54 -3.996 2.032 -7.043
450 HB3 CYS 54 2HB CYS 54 -2.512 1.107 -6.935
451 H ASN 55 H ASN 55 -4.065 4.282 -7.709
452 HA ASN 55 HA ASN 55 -5.206 5.806 -5.545
453 HB2 ASN 55 1HB ASN 55 -4.935 7.954 -6.648
454 HB3 ASN 55 2HB ASN 55 -3.350 7.207 -6.625
455 HD21 ASN 55 1HD2 ASN 55 -5.096 9.072 -8.438
456 HD22 ASN 55 2HD2 ASN 55 -4.741 8.533 -10.044
457 H THR 56 H THR 56 -6.166 3.541 -7.084
458 HA THR 56 HA THR 56 -8.347 4.838 -8.567
459 HB THR 56 HB THR 56 -8.141 2.810 -10.153
460 HG1 THR 56 1HG THR 56 -6.157 1.652 -9.888
461 HG21 THR 56 1HG2 THR 56 -6.581 3.878 -11.546
462 HG22 THR 56 2HG2 THR 56 -6.982 5.223 -10.451
463 HG23 THR 56 3HG2 THR 56 -5.498 4.276 -10.192
464 H ASP 57 H ASP 57 -10.384 3.874 -8.396
465 HA ASP 57 HA ASP 57 -10.865 2.674 -5.967
466 HB2 ASP 57 1HB ASP 57 -12.607 2.473 -8.466
467 HB3 ASP 57 2HB ASP 57 -13.153 2.340 -6.805
468 HD2 ASP 57 HD ASP 57 -13.498 4.223 -5.718
469 H ARG 58 H ARG 58 -10.682 0.512 -5.330
470 HA ARG 58 HA ARG 58 -10.630 -1.656 -5.418
471 HB2 ARG 58 1HB ARG 58 -11.154 -1.756 -8.409
472 HB3 ARG 58 2HB ARG 58 -11.633 -2.913 -7.183
473 HG2 ARG 58 1HG ARG 58 -13.047 -0.895 -6.203
474 HG3 ARG 58 2HG ARG 58 -12.851 -0.208 -7.804
475 HD2 ARG 58 1HD ARG 58 -14.803 -1.414 -8.169
476 HD3 ARG 58 2HD ARG 58 -13.640 -2.657 -8.585
477 HE ARG 58 HE ARG 58 -14.320 -2.610 -5.732
478 HH11 ARG 58 1HH ARG 58 -16.194 -5.532 -5.871
479 HH12 ARG 58 2HH1 ARG 58 -15.430 -4.377 -4.892
480 HH21 ARG 58 1HH2 ARG 58 -16.077 -5.257 -8.249
481 HH22 ARG 58 2HH2 ARG 58 -15.225 -3.901 -8.905
482 H CYS 59 H CYS 59 -8.319 0.086 -5.946
483 HA CYS 59 HA CYS 59 -6.780 -1.118 -8.014
484 HB2 CYS 59 1HB CYS 59 -5.002 0.347 -7.301
485 HB3 CYS 59 2HB CYS 59 -6.502 1.253 -7.329
486 H ASN 60 H ASN 60 -6.994 -1.260 -4.406
487 HA ASN 60 HA ASN 60 -5.032 -3.388 -4.444
488 HB2 ASN 60 1HB ASN 60 -4.855 -3.047 -2.046
489 HB3 ASN 60 2HB ASN 60 -4.900 -1.450 -2.768
490 HD21 ASN 60 1HD2 ASN 60 -5.488 -1.630 -0.190
491 HD22 ASN 60 2HD2 ASN 60 -7.176 -1.407 0.129
492 H1 HOH 101 1H HOH 61 3.450 -12.450 -1.132
493 H2 HOH 101 2H HOH 61 2.278 -12.512 -0.176
Start of MODEL 9
1 H1 LEU 1 H LEU 1 -9.490 8.334 -2.647
2 HA LEU 1 HA LEU 1 -11.771 7.285 -3.739
3 HB2 LEU 1 1HB LEU 1 -10.392 6.137 -5.180
4 HB3 LEU 1 2HB LEU 1 -9.407 7.496 -4.674
5 HG LEU 1 HG LEU 1 -9.058 5.065 -3.035
6 HD11 LEU 1 1HD1 LEU 1 -9.256 3.785 -4.960
7 HD12 LEU 1 2HD1 LEU 1 -8.541 5.041 -5.998
8 HD13 LEU 1 3HD1 LEU 1 -7.509 4.116 -4.881
9 HD21 LEU 1 1HD2 LEU 1 -7.655 7.439 -3.623
10 HD22 LEU 1 2HD2 LEU 1 -7.161 6.106 -2.551
11 HD23 LEU 1 3HD2 LEU 1 -6.671 6.100 -4.262
12 H LYS 2 H LYS 2 -11.995 4.703 -4.041
13 HA LYS 2 HA LYS 2 -12.435 3.749 -1.323
14 HB2 LYS 2 1HB LYS 2 -13.465 2.568 -3.914
15 HB3 LYS 2 2HB LYS 2 -14.019 2.228 -2.288
16 HG2 LYS 2 1HG LYS 2 -14.917 4.475 -2.027
17 HG3 LYS 2 2HG LYS 2 -14.135 5.025 -3.496
18 HD2 LYS 2 1HD LYS 2 -15.643 3.874 -4.901
19 HD3 LYS 2 2HD LYS 2 -16.062 2.700 -3.668
20 HE2 LYS 2 1HE LYS 2 -17.895 3.948 -3.183
21 HE3 LYS 2 2HE LYS 2 -16.830 5.194 -2.562
22 HZ1 LYS 2 1HZ LYS 2 -16.649 5.833 -5.075
23 HZ2 LYS 2 2HZ LYS 2 -18.050 5.018 -5.232
24 HZ3 LYS 2 3HZ LYS 2 -17.950 6.272 -4.186
25 H CYS 3 H CYS 3 -11.107 2.288 -0.393
26 HA CYS 3 HA CYS 3 -9.342 0.816 -2.211
27 HB2 CYS 3 1HB CYS 3 -8.703 1.370 0.688
28 HB3 CYS 3 2HB CYS 3 -7.619 0.877 -0.597
29 H ASN 4 H ASN 4 -8.900 -1.450 -1.588
30 HA ASN 4 HA ASN 4 -11.201 -2.559 -0.242
31 HB2 ASN 4 1HB ASN 4 -8.951 -4.068 -1.662
32 HB3 ASN 4 2HB ASN 4 -10.549 -4.676 -1.278
33 HD21 ASN 4 1HD2 ASN 4 -9.836 -4.993 -3.764
34 HD22 ASN 4 2HD2 ASN 4 -10.600 -3.885 -4.854
35 H LYS 5 H LYS 5 -10.649 -4.620 1.181
36 HA LYS 5 HA LYS 5 -8.483 -3.843 2.965
37 HB2 LYS 5 1HB LYS 5 -10.587 -5.961 3.444
38 HB3 LYS 5 2HB LYS 5 -9.584 -5.146 4.626
39 HG2 LYS 5 1HG LYS 5 -11.157 -3.532 4.849
40 HG3 LYS 5 2HG LYS 5 -10.941 -3.088 3.168
41 HD2 LYS 5 1HD LYS 5 -13.125 -3.727 2.935
42 HD3 LYS 5 2HD LYS 5 -12.476 -5.354 2.882
43 HE2 LYS 5 1HE LYS 5 -13.851 -5.761 4.663
44 HE3 LYS 5 2HE LYS 5 -12.628 -4.941 5.613
45 HZ1 LYS 5 1HZ LYS 5 -14.208 -3.429 6.076
46 HZ2 LYS 5 2HZ LYS 5 -14.182 -2.929 4.527
47 HZ3 LYS 5 3HZ LYS 5 -15.224 -4.104 4.984
48 H LEU 6 H LEU 6 -8.523 -6.759 3.969
49 HA LEU 6 HA LEU 6 -6.213 -7.586 2.723
50 HB2 LEU 6 1HB LEU 6 -6.935 -8.351 4.901
51 HB3 LEU 6 2HB LEU 6 -8.317 -9.171 4.200
52 HG LEU 6 HG LEU 6 -6.541 -10.526 2.855
53 HD11 LEU 6 1HD1 LEU 6 -4.370 -10.710 3.731
54 HD12 LEU 6 2HD1 LEU 6 -4.684 -8.960 3.640
55 HD13 LEU 6 3HD1 LEU 6 -4.791 -9.802 5.204
56 HD21 LEU 6 1HD2 LEU 6 -8.079 -11.238 4.800
57 HD22 LEU 6 2HD2 LEU 6 -6.658 -12.242 4.424
58 HD23 LEU 6 3HD2 LEU 6 -6.614 -11.122 5.806
59 H VAL 7 H VAL 7 -9.653 -8.438 2.022
60 HA VAL 7 HA VAL 7 -8.690 -9.756 -0.418
61 HB VAL 7 HB VAL 7 -11.233 -10.045 1.189
62 HG11 VAL 7 1HG1 VAL 7 -11.444 -10.146 -1.395
63 HG12 VAL 7 2HG1 VAL 7 -10.573 -11.692 -1.250
64 HG13 VAL 7 3HG1 VAL 7 -12.136 -11.470 -0.428
65 HG21 VAL 7 1HG2 VAL 7 -8.755 -11.699 0.815
66 HG22 VAL 7 2HG2 VAL 7 -9.674 -11.340 2.297
67 HG23 VAL 7 3HG2 VAL 7 -10.310 -12.512 1.118
68 HA PRO 8 HA PRO 8 -10.415 -6.436 -2.605
69 HB2 PRO 8 1HB PRO 8 -10.293 -7.465 -5.134
70 HB3 PRO 8 2HB PRO 8 -8.922 -6.720 -4.335
71 HG2 PRO 8 1HG PRO 8 -9.451 -9.588 -4.822
72 HG3 PRO 8 2HG PRO 8 -7.936 -8.803 -4.425
73 HD2 PRO 8 1HD PRO 8 -9.597 -10.328 -2.650
74 HD3 PRO 8 2HD PRO 8 -8.142 -9.446 -2.227
75 H ILE 9 H ILE 9 -12.294 -7.797 -1.177
76 HA ILE 9 HA ILE 9 -14.414 -7.982 -3.203
77 HB ILE 9 HB ILE 9 -13.638 -10.136 -2.050
78 HG12 ILE 9 1HG1 ILE 9 -15.641 -10.038 -3.387
79 HG13 ILE 9 2HG1 ILE 9 -15.957 -10.980 -1.943
80 HG21 ILE 9 1HG2 ILE 9 -15.462 -9.480 0.198
81 HG22 ILE 9 2HG2 ILE 9 -14.021 -10.524 0.145
82 HG23 ILE 9 3HG2 ILE 9 -13.836 -8.758 0.248
83 HD11 ILE 9 1HD1 ILE 9 -16.658 -8.490 -1.037
84 HD12 ILE 9 2HD1 ILE 9 -17.064 -8.337 -2.764
85 HD13 ILE 9 3HD1 ILE 9 -17.804 -9.628 -1.786
86 H ALA 10 H ALA 10 -13.345 -6.915 0.040
87 HA ALA 10 HA ALA 10 -15.766 -5.246 0.144
88 HB1 ALA 10 1HB ALA 10 -16.131 -6.156 2.165
89 HB2 ALA 10 2HB ALA 10 -14.636 -7.113 2.036
90 HB3 ALA 10 3HB ALA 10 -14.585 -5.471 2.722
91 H TYR 11 H TYR 11 -15.427 -3.078 0.039
92 HA TYR 11 HA TYR 11 -12.830 -2.060 0.907
93 HB2 TYR 11 1HB TYR 11 -12.884 -0.686 -1.277
94 HB3 TYR 11 2HB TYR 11 -12.642 -2.402 -1.534
95 HD1 TYR 11 1HD TYR 11 -14.568 -3.827 -2.312
96 HD2 TYR 11 2HD TYR 11 -14.817 0.440 -2.129
97 HE1 TYR 11 1HE TYR 11 -16.582 -3.871 -3.864
98 HE2 TYR 11 2HE TYR 11 -16.829 0.383 -3.682
99 HH TYR 11 HH TYR 11 -17.628 -2.271 -5.496
100 H LYS 12 H LYS 12 -12.869 0.140 1.589
101 HA LYS 12 HA LYS 12 -15.574 1.276 1.726
102 HB2 LYS 12 1HB LYS 12 -15.143 2.042 3.955
103 HB3 LYS 12 2HB LYS 12 -14.834 0.318 3.896
104 HG2 LYS 12 1HG LYS 12 -12.523 0.573 4.123
105 HG3 LYS 12 2HG LYS 12 -12.506 2.140 3.339
106 HD2 LYS 12 1HD LYS 12 -13.867 1.789 6.033
107 HD3 LYS 12 2HD LYS 12 -12.129 2.008 5.942
108 HE2 LYS 12 1HE LYS 12 -12.369 4.168 4.845
109 HE3 LYS 12 2HE LYS 12 -14.085 3.920 4.590
110 HZ1 LYS 12 1HZ LYS 12 -13.234 3.747 7.361
111 HZ2 LYS 12 2HZ LYS 12 -13.088 5.229 6.702
112 HZ3 LYS 12 3HZ LYS 12 -14.536 4.465 6.676
113 H THR 13 H THR 13 -15.191 3.781 2.523
114 HA THR 13 HA THR 13 -13.418 4.852 0.448
115 HB THR 13 HB THR 13 -16.032 5.619 1.721
116 HG1 THR 13 1HG THR 13 -16.407 5.512 -0.463
117 HG21 THR 13 1HG2 THR 13 -13.816 7.551 1.047
118 HG22 THR 13 2HG2 THR 13 -15.448 7.941 0.454
119 HG23 THR 13 3HG2 THR 13 -15.159 7.737 2.199
120 H CYS 14 H CYS 14 -11.640 6.032 0.884
121 HA CYS 14 HA CYS 14 -11.241 6.694 3.711
122 HB2 CYS 14 1HB CYS 14 -9.131 5.856 1.694
123 HB3 CYS 14 2HB CYS 14 -8.818 6.363 3.343
124 HA PRO 15 HA PRO 15 -11.202 10.489 1.221
125 HB2 PRO 15 1HB PRO 15 -12.879 11.965 2.794
126 HB3 PRO 15 2HB PRO 15 -13.429 11.042 1.410
127 HG2 PRO 15 1HG PRO 15 -13.728 10.426 4.285
128 HG3 PRO 15 2HG PRO 15 -14.613 9.767 2.923
129 HD2 PRO 15 1HD PRO 15 -12.513 8.477 4.390
130 HD3 PRO 15 2HD PRO 15 -13.317 7.868 2.958
131 H GLU 16 H GLU 16 -11.208 10.372 4.746
132 HA GLU 16 HA GLU 16 -9.971 12.612 5.354
133 HB2 GLU 16 1HB GLU 16 -9.454 9.813 6.420
134 HB3 GLU 16 2HB GLU 16 -8.708 11.222 7.149
135 HG2 GLU 16 1HG GLU 16 -11.413 11.964 6.879
136 HG3 GLU 16 2HG GLU 16 -11.491 10.275 7.341
137 HE2 GLU 16 HE GLU 16 -12.049 10.577 9.390
138 H GLY 17 H GLY 17 -8.555 13.514 3.816
139 HA2 GLY 17 1HA GLY 17 -6.753 13.489 2.355
140 HA3 GLY 17 2HA GLY 17 -5.977 13.528 3.926
141 H LYS 18 H LYS 18 -7.661 10.908 2.041
142 HA LYS 18 HA LYS 18 -5.143 9.473 1.892
143 HB2 LYS 18 1HB LYS 18 -7.503 8.594 3.531
144 HB3 LYS 18 2HB LYS 18 -6.520 7.392 2.721
145 HG2 LYS 18 1HG LYS 18 -4.469 8.596 3.784
146 HG3 LYS 18 2HG LYS 18 -5.629 9.431 4.799
147 HD2 LYS 18 1HD LYS 18 -6.271 6.604 4.803
148 HD3 LYS 18 2HD LYS 18 -4.560 6.785 5.140
149 HE2 LYS 18 1HE LYS 18 -4.925 7.844 7.162
150 HE3 LYS 18 2HE LYS 18 -6.337 8.704 6.584
151 HZ1 LYS 18 1HZ LYS 18 -7.183 6.133 6.564
152 HZ2 LYS 18 2HZ LYS 18 -6.204 6.122 7.865
153 HZ3 LYS 18 3HZ LYS 18 -7.419 7.213 7.770
154 H ASN 19 H ASN 19 -5.820 10.511 -0.316
155 HA ASN 19 HA ASN 19 -7.870 8.947 -1.599
156 HB2 ASN 19 1HB ASN 19 -7.520 11.502 -1.920
157 HB3 ASN 19 2HB ASN 19 -6.090 11.096 -2.849
158 HD21 ASN 19 1HD2 ASN 19 -6.721 11.732 -4.817
159 HD22 ASN 19 2HD2 ASN 19 -8.036 11.059 -5.722
160 H LEU 20 H LEU 20 -5.298 7.710 -0.670
161 HA LEU 20 HA LEU 20 -4.457 6.653 -3.246
162 HB2 LEU 20 1HB LEU 20 -2.617 7.937 -1.234
163 HB3 LEU 20 2HB LEU 20 -2.056 6.771 -2.416
164 HG LEU 20 HG LEU 20 -3.343 9.449 -3.014
165 HD11 LEU 20 1HD1 LEU 20 -0.677 8.775 -2.352
166 HD12 LEU 20 2HD1 LEU 20 -0.707 9.120 -4.099
167 HD13 LEU 20 3HD1 LEU 20 -1.311 10.331 -2.942
168 HD21 LEU 20 1HD2 LEU 20 -2.116 8.404 -5.325
169 HD22 LEU 20 2HD2 LEU 20 -3.109 7.089 -4.648
170 HD23 LEU 20 3HD2 LEU 20 -3.852 8.663 -5.025
171 H CYS 21 H CYS 21 -4.506 4.470 -3.171
172 HA CYS 21 HA CYS 21 -4.660 3.278 -0.518
173 HB2 CYS 21 1HB CYS 21 -5.242 1.843 -3.112
174 HB3 CYS 21 2HB CYS 21 -5.794 1.453 -1.495
175 H TYR 22 H TYR 22 -3.386 1.261 -0.125
176 HA TYR 22 HA TYR 22 -1.143 0.863 -1.944
177 HB2 TYR 22 1HB TYR 22 0.443 1.280 -0.145
178 HB3 TYR 22 2HB TYR 22 -0.698 2.606 -0.030
179 HD1 TYR 22 1HD TYR 22 -1.829 3.030 1.986
180 HD2 TYR 22 2HD TYR 22 0.026 -0.779 1.384
181 HE1 TYR 22 1HE TYR 22 -2.292 2.412 4.408
182 HE2 TYR 22 2HE TYR 22 -0.445 -1.383 3.808
183 HH TYR 22 HH TYR 22 -1.144 -0.670 5.735
184 H LYS 23 H LYS 23 -0.017 -1.187 -1.577
185 HA LYS 23 HA LYS 23 -1.334 -2.993 0.283
186 HB2 LYS 23 1HB LYS 23 -1.410 -4.710 -1.650
187 HB3 LYS 23 2HB LYS 23 -2.688 -3.518 -1.523
188 HG2 LYS 23 1HG LYS 23 -1.088 -2.075 -3.100
189 HG3 LYS 23 2HG LYS 23 -0.395 -3.635 -3.493
190 HD2 LYS 23 1HD LYS 23 -2.274 -4.345 -4.632
191 HD3 LYS 23 2HD LYS 23 -3.378 -3.555 -3.523
192 HE2 LYS 23 1HE LYS 23 -3.394 -1.578 -4.719
193 HE3 LYS 23 2HE LYS 23 -1.702 -1.699 -5.155
194 HZ1 LYS 23 1HZ LYS 23 -3.004 -2.054 -7.120
195 HZ2 LYS 23 2HZ LYS 23 -2.381 -3.508 -6.735
196 HZ3 LYS 23 3HZ LYS 23 -3.935 -3.162 -6.357
197 H MET 24 H MET 24 0.181 -4.125 1.380
198 HA MET 24 HA MET 24 2.860 -4.053 0.269
199 HB2 MET 24 1HB MET 24 1.643 -4.370 3.036
200 HB3 MET 24 2HB MET 24 3.262 -4.985 2.766
201 HG2 MET 24 1HG MET 24 4.121 -2.889 2.925
202 HG3 MET 24 2HG MET 24 3.116 -2.345 1.595
203 HE1 MET 24 1HE MET 24 1.837 0.168 2.566
204 HE2 MET 24 2HE MET 24 2.623 0.371 4.150
205 HE3 MET 24 3HE MET 24 3.549 -0.274 2.773
206 H PHE 25 H PHE 25 3.843 -5.875 -0.523
207 HA PHE 25 HA PHE 25 2.464 -8.410 0.005
208 HB2 PHE 25 1HB PHE 25 4.309 -7.460 -2.270
209 HB3 PHE 25 2HB PHE 25 3.560 -9.044 -2.203
210 HD1 PHE 25 1HD PHE 25 3.081 -5.543 -2.996
211 HD2 PHE 25 2HD PHE 25 1.103 -9.261 -2.478
212 HE1 PHE 25 1HE PHE 25 1.076 -4.644 -4.210
213 HE2 PHE 25 2HE PHE 25 -0.902 -8.362 -3.692
214 HZ PHE 25 HZ PHE 25 -0.891 -6.065 -4.543
215 H MET 26 H MET 26 3.704 -10.279 0.520
216 HA MET 26 HA MET 26 6.178 -9.618 1.797
217 HB2 MET 26 1HB MET 26 4.086 -11.492 2.179
218 HB3 MET 26 2HB MET 26 5.432 -12.483 1.655
219 HG2 MET 26 1HG MET 26 6.869 -11.350 3.432
220 HG3 MET 26 2HG MET 26 5.431 -10.532 4.008
221 HE1 MET 26 1HE MET 26 7.136 -12.737 6.027
222 HE2 MET 26 2HE MET 26 6.969 -14.374 5.349
223 HE3 MET 26 3HE MET 26 7.718 -13.082 4.380
224 H MET 27 H MET 27 8.251 -10.220 1.154
225 HA MET 27 HA MET 27 9.861 -10.898 -0.137
226 HB2 MET 27 1HB MET 27 7.745 -13.001 -0.709
227 HB3 MET 27 2HB MET 27 9.207 -13.015 -1.676
228 HG2 MET 27 1HG MET 27 10.289 -12.756 0.844
229 HG3 MET 27 2HG MET 27 8.842 -13.673 1.216
230 HE1 MET 27 1HE MET 27 11.011 -14.759 2.069
231 HE2 MET 27 2HE MET 27 11.257 -16.391 1.400
232 HE3 MET 27 3HE MET 27 12.379 -15.076 0.975
233 H SER 28 H SER 28 7.080 -11.687 -2.341
234 HA SER 28 HA SER 28 8.166 -9.657 -4.133
235 HB2 SER 28 1HB SER 28 8.388 -12.203 -4.759
236 HB3 SER 28 2HB SER 28 6.676 -12.106 -5.118
237 HG SER 28 HG SER 28 7.344 -11.408 -7.033
238 H ASP 29 H ASP 29 6.415 -8.875 -5.774
239 HA ASP 29 HA ASP 29 4.069 -8.323 -4.210
240 HB2 ASP 29 1HB ASP 29 3.650 -6.963 -6.524
241 HB3 ASP 29 2HB ASP 29 4.623 -6.331 -5.211
242 HD2 ASP 29 HD ASP 29 6.413 -5.771 -8.159
243 H LEU 30 H LEU 30 5.159 -9.969 -7.210
244 HA LEU 30 HA LEU 30 2.891 -10.351 -8.600
245 HB2 LEU 30 1HB LEU 30 5.148 -12.264 -8.022
246 HB3 LEU 30 2HB LEU 30 3.876 -12.620 -9.174
247 HG LEU 30 HG LEU 30 5.359 -10.040 -9.479
248 HD11 LEU 30 1HD1 LEU 30 6.973 -12.050 -9.025
249 HD12 LEU 30 2HD1 LEU 30 6.546 -12.514 -10.691
250 HD13 LEU 30 3HD1 LEU 30 7.288 -10.927 -10.370
251 HD21 LEU 30 1HD2 LEU 30 3.452 -10.579 -10.932
252 HD22 LEU 30 2HD2 LEU 30 4.974 -10.450 -11.846
253 HD23 LEU 30 3HD2 LEU 30 4.290 -12.051 -11.479
254 H THR 31 H THR 31 3.913 -12.153 -5.640
255 HA THR 31 HA THR 31 1.647 -13.854 -5.645
256 HB THR 31 HB THR 31 2.505 -14.421 -3.375
257 HG1 THR 31 1HG THR 31 4.465 -12.984 -2.820
258 HG21 THR 31 1HG2 THR 31 4.000 -14.691 -5.730
259 HG22 THR 31 2HG2 THR 31 5.133 -13.869 -4.630
260 HG23 THR 31 3HG2 THR 31 4.414 -15.429 -4.164
261 H ILE 32 H ILE 32 0.359 -13.833 -3.330
262 HA ILE 32 HA ILE 32 -1.342 -11.576 -3.628
263 HB ILE 32 HB ILE 32 -1.381 -14.172 -2.376
264 HG12 ILE 32 1HG1 ILE 32 -3.958 -12.963 -2.504
265 HG13 ILE 32 2HG1 ILE 32 -3.061 -12.420 -3.907
266 HG21 ILE 32 1HG2 ILE 32 -2.994 -13.433 -0.525
267 HG22 ILE 32 2HG2 ILE 32 -1.249 -13.235 -0.236
268 HG23 ILE 32 3HG2 ILE 32 -2.242 -11.828 -0.686
269 HD11 ILE 32 1HD1 ILE 32 -3.994 -15.157 -3.196
270 HD12 ILE 32 2HD1 ILE 32 -3.737 -14.421 -4.797
271 HD13 ILE 32 3HD1 ILE 32 -2.354 -15.072 -3.884
272 HA PRO 33 HA PRO 33 0.433 -8.964 -0.687
273 HB2 PRO 33 1HB PRO 33 -1.703 -7.414 0.026
274 HB3 PRO 33 2HB PRO 33 -0.785 -7.162 -1.444
275 HG2 PRO 33 1HG PRO 33 -3.468 -8.356 -1.118
276 HG3 PRO 33 2HG PRO 33 -2.722 -7.712 -2.568
277 HD2 PRO 33 1HD PRO 33 -3.042 -10.481 -1.887
278 HD3 PRO 33 2HD PRO 33 -2.194 -9.834 -3.278
279 H VAL 34 H VAL 34 0.728 -8.402 1.540
280 HA VAL 34 HA VAL 34 -0.483 -10.490 3.177
281 HB VAL 34 HB VAL 34 1.278 -9.612 4.821
282 HG11 VAL 34 1HG1 VAL 34 3.032 -10.969 3.798
283 HG12 VAL 34 2HG1 VAL 34 1.443 -11.743 3.587
284 HG13 VAL 34 3HG1 VAL 34 2.204 -10.887 2.225
285 HG21 VAL 34 1HG2 VAL 34 1.622 -7.471 3.487
286 HG22 VAL 34 2HG2 VAL 34 3.096 -8.328 3.995
287 HG23 VAL 34 3HG2 VAL 34 2.526 -8.458 2.314
288 H LYS 35 H LYS 35 -0.157 -6.927 2.845
289 HA LYS 35 HA LYS 35 -2.561 -6.636 4.414
290 HB2 LYS 35 1HB LYS 35 -1.631 -5.121 6.039
291 HB3 LYS 35 2HB LYS 35 -0.780 -6.649 6.128
292 HG2 LYS 35 1HG LYS 35 1.002 -5.644 4.586
293 HG3 LYS 35 2HG LYS 35 0.191 -4.100 4.758
294 HD2 LYS 35 1HD LYS 35 0.747 -5.494 7.334
295 HD3 LYS 35 2HD LYS 35 2.180 -5.026 6.441
296 HE2 LYS 35 1HE LYS 35 0.207 -2.860 6.418
297 HE3 LYS 35 2HE LYS 35 0.554 -3.354 8.062
298 HZ1 LYS 35 1HZ LYS 35 2.100 -1.637 6.922
299 HZ2 LYS 35 2HZ LYS 35 2.796 -2.809 7.812
300 HZ3 LYS 35 3HZ LYS 35 2.736 -2.950 6.183
301 H ARG 36 H ARG 36 -3.414 -4.371 4.255
302 HA ARG 36 HA ARG 36 -2.166 -2.631 2.439
303 HB2 ARG 36 1HB ARG 36 -4.026 -2.713 0.697
304 HB3 ARG 36 2HB ARG 36 -2.987 -4.124 0.708
305 HG2 ARG 36 1HG ARG 36 -5.229 -4.445 2.579
306 HG3 ARG 36 2HG ARG 36 -5.803 -4.095 0.960
307 HD2 ARG 36 1HD ARG 36 -3.938 -6.365 1.793
308 HD3 ARG 36 2HD ARG 36 -5.571 -6.516 1.175
309 HE ARG 36 HE ARG 36 -3.145 -5.995 -0.398
310 HH11 ARG 36 1HH ARG 36 -4.836 -5.943 -3.432
311 HH12 ARG 36 2HH1 ARG 36 -3.338 -6.002 -2.639
312 HH21 ARG 36 1HH2 ARG 36 -6.823 -5.849 -2.094
313 HH22 ARG 36 2HH2 ARG 36 -6.684 -5.843 -0.368
314 H GLY 37 H GLY 37 -3.397 -0.570 2.251
315 HA2 GLY 37 1HA GLY 37 -5.923 -0.293 3.582
316 HA3 GLY 37 2HA GLY 37 -4.587 0.301 4.549
317 H CYS 38 H CYS 38 -5.826 2.412 4.218
318 HA CYS 38 HA CYS 38 -5.405 3.532 1.570
319 HB2 CYS 38 1HB CYS 38 -6.785 4.940 3.855
320 HB3 CYS 38 2HB CYS 38 -6.963 5.208 2.133
321 H ILE 39 H ILE 39 -4.450 5.814 1.498
322 HA ILE 39 HA ILE 39 -2.958 6.730 3.725
323 HB ILE 39 HB ILE 39 -1.632 4.731 2.976
324 HG12 ILE 39 1HG1 ILE 39 0.048 7.189 2.633
325 HG13 ILE 39 2HG1 ILE 39 -0.828 6.973 4.135
326 HG21 ILE 39 1HG2 ILE 39 -1.612 6.311 0.457
327 HG22 ILE 39 2HG2 ILE 39 -0.094 5.509 0.930
328 HG23 ILE 39 3HG2 ILE 39 -1.579 4.551 0.716
329 HD11 ILE 39 1HD1 ILE 39 1.421 5.343 2.991
330 HD12 ILE 39 2HD1 ILE 39 1.116 5.830 4.675
331 HD13 ILE 39 3HD1 ILE 39 0.196 4.487 3.956
332 H ASP 40 H ASP 40 -1.324 8.544 2.803
333 HA ASP 40 HA ASP 40 -2.970 9.984 0.891
334 HB2 ASP 40 1HB ASP 40 -2.737 11.312 2.829
335 HB3 ASP 40 2HB ASP 40 -1.092 10.781 3.121
336 HD2 ASP 40 HD ASP 40 -1.294 13.191 3.378
337 H VAL 41 H VAL 41 0.437 9.148 1.824
338 HA VAL 41 HA VAL 41 1.192 9.546 -0.982
339 HB VAL 41 HB VAL 41 2.688 10.407 1.499
340 HG11 VAL 41 1HG1 VAL 41 3.599 10.024 -1.341
341 HG12 VAL 41 2HG1 VAL 41 4.305 11.323 -0.349
342 HG13 VAL 41 3HG1 VAL 41 4.430 9.629 0.183
343 HG21 VAL 41 1HG2 VAL 41 1.864 12.103 -0.868
344 HG22 VAL 41 2HG2 VAL 41 0.823 11.876 0.558
345 HG23 VAL 41 3HG2 VAL 41 2.425 12.632 0.737
346 H CYS 42 H CYS 42 2.671 8.019 -1.818
347 HA CYS 42 HA CYS 42 2.539 5.500 -0.607
348 HB2 CYS 42 1HB CYS 42 2.824 6.101 -3.101
349 HB3 CYS 42 2HB CYS 42 4.532 6.270 -2.746
350 HA PRO 43 HA PRO 43 5.943 6.100 2.098
351 HB2 PRO 43 1HB PRO 43 5.920 3.639 3.287
352 HB3 PRO 43 2HB PRO 43 4.896 4.964 3.805
353 HG2 PRO 43 1HG PRO 43 4.164 2.552 2.261
354 HG3 PRO 43 2HG PRO 43 3.121 3.650 3.141
355 HD2 PRO 43 1HD PRO 43 3.489 3.541 0.298
356 HD3 PRO 43 2HD PRO 43 2.535 4.712 1.188
357 H LYS 44 H LYS 44 7.955 4.625 2.875
358 HA LYS 44 HA LYS 44 9.373 4.301 0.421
359 HB2 LYS 44 1HB LYS 44 10.187 3.754 3.291
360 HB3 LYS 44 2HB LYS 44 11.269 3.744 1.912
361 HG2 LYS 44 1HG LYS 44 10.672 6.133 1.435
362 HG3 LYS 44 2HG LYS 44 9.606 6.140 2.826
363 HD2 LYS 44 1HD LYS 44 12.513 5.341 3.164
364 HD3 LYS 44 2HD LYS 44 12.085 7.038 3.065
365 HE2 LYS 44 1HE LYS 44 11.354 7.041 5.214
366 HE3 LYS 44 2HE LYS 44 10.251 5.718 4.891
367 HZ1 LYS 44 1HZ LYS 44 12.853 4.667 4.983
368 HZ2 LYS 44 2HZ LYS 44 12.671 5.605 6.303
369 HZ3 LYS 44 3HZ LYS 44 11.591 4.415 5.994
370 H ASN 45 H ASN 45 9.833 2.453 -0.708
371 HA ASN 45 HA ASN 45 8.300 0.183 -0.054
372 HB2 ASN 45 1HB ASN 45 9.068 1.065 -2.403
373 HB3 ASN 45 2HB ASN 45 10.592 0.267 -2.067
374 HD21 ASN 45 1HD2 ASN 45 10.358 -2.035 -1.222
375 HD22 ASN 45 2HD2 ASN 45 9.246 -3.069 -2.054
376 H SER 46 H SER 46 8.966 -1.599 1.177
377 HA SER 46 HA SER 46 11.670 -1.532 2.157
378 HB2 SER 46 1HB SER 46 10.915 -3.138 3.813
379 HB3 SER 46 2HB SER 46 9.714 -1.868 3.697
380 HG SER 46 HG SER 46 8.840 -3.567 1.928
381 H LEU 47 H LEU 47 13.086 -3.451 2.081
382 HA LEU 47 HA LEU 47 12.900 -4.764 -0.450
383 HB2 LEU 47 1HB LEU 47 14.890 -5.649 1.548
384 HB3 LEU 47 2HB LEU 47 15.075 -5.286 -0.156
385 HG LEU 47 HG LEU 47 14.541 -2.798 0.939
386 HD11 LEU 47 1HD1 LEU 47 16.585 -4.012 2.782
387 HD12 LEU 47 2HD1 LEU 47 15.685 -2.482 2.932
388 HD13 LEU 47 3HD1 LEU 47 14.853 -4.033 3.195
389 HD21 LEU 47 1HD2 LEU 47 16.157 -2.788 -0.664
390 HD22 LEU 47 2HD2 LEU 47 17.191 -2.675 0.780
391 HD23 LEU 47 3HD2 LEU 47 16.962 -4.242 -0.031
392 H LEU 48 H LEU 48 12.053 -5.461 2.913
393 HA LEU 48 HA LEU 48 11.891 -8.283 2.514
394 HB2 LEU 48 1HB LEU 48 12.187 -6.748 4.673
395 HB3 LEU 48 2HB LEU 48 10.442 -6.903 4.716
396 HG LEU 48 HG LEU 48 11.433 -8.577 6.132
397 HD11 LEU 48 1HD1 LEU 48 10.241 -9.692 3.587
398 HD12 LEU 48 2HD1 LEU 48 10.551 -10.674 5.040
399 HD13 LEU 48 3HD1 LEU 48 9.416 -9.304 5.116
400 HD21 LEU 48 1HD2 LEU 48 12.741 -10.180 4.055
401 HD22 LEU 48 2HD2 LEU 48 13.525 -8.609 4.349
402 HD23 LEU 48 3HD2 LEU 48 13.285 -9.749 5.695
403 H VAL 49 H VAL 49 9.540 -5.534 2.676
404 HA VAL 49 HA VAL 49 7.602 -7.339 1.399
405 HB VAL 49 HB VAL 49 6.845 -4.939 3.034
406 HG11 VAL 49 1HG1 VAL 49 4.759 -6.161 3.340
407 HG12 VAL 49 2HG1 VAL 49 5.150 -6.043 1.608
408 HG13 VAL 49 3HG1 VAL 49 5.429 -7.568 2.481
409 HG21 VAL 49 1HG2 VAL 49 7.864 -5.886 4.814
410 HG22 VAL 49 2HG2 VAL 49 6.464 -6.984 4.795
411 HG23 VAL 49 3HG2 VAL 49 7.993 -7.478 4.028
412 H LYS 50 H LYS 50 6.617 -6.634 -0.484
413 HA LYS 50 HA LYS 50 7.849 -4.324 -1.700
414 HB2 LYS 50 1HB LYS 50 7.501 -6.568 -2.838
415 HB3 LYS 50 2HB LYS 50 5.790 -6.201 -2.885
416 HG2 LYS 50 1HG LYS 50 6.463 -5.354 -4.955
417 HG3 LYS 50 2HG LYS 50 6.579 -3.912 -3.967
418 HD2 LYS 50 1HD LYS 50 8.986 -4.177 -3.708
419 HD3 LYS 50 2HD LYS 50 8.945 -5.781 -4.413
420 HE2 LYS 50 1HE LYS 50 8.250 -4.842 -6.599
421 HE3 LYS 50 2HE LYS 50 8.170 -3.232 -5.910
422 HZ1 LYS 50 1HZ LYS 50 10.670 -3.900 -5.269
423 HZ2 LYS 50 2HZ LYS 50 10.524 -4.781 -6.631
424 HZ3 LYS 50 3HZ LYS 50 10.241 -3.169 -6.669
425 H TYR 51 H TYR 51 6.900 -2.352 -2.063
426 HA TYR 51 HA TYR 51 4.228 -2.030 -0.895
427 HB2 TYR 51 1HB TYR 51 6.719 -0.331 -1.421
428 HB3 TYR 51 2HB TYR 51 5.182 0.478 -1.189
429 HD1 TYR 51 1HD TYR 51 5.828 -2.634 0.634
430 HD2 TYR 51 2HD TYR 51 6.079 1.634 0.796
431 HE1 TYR 51 1HE TYR 51 6.148 -2.740 3.154
432 HE2 TYR 51 2HE TYR 51 6.398 1.513 3.316
433 HH TYR 51 HH TYR 51 6.945 0.132 4.993
434 H VAL 52 H VAL 52 2.504 -1.470 -2.149
435 HA VAL 52 HA VAL 52 3.086 -0.384 -4.804
436 HB VAL 52 HB VAL 52 0.971 -2.476 -4.362
437 HG11 VAL 52 1HG1 VAL 52 0.839 -2.599 -6.677
438 HG12 VAL 52 2HG1 VAL 52 1.156 -0.868 -6.416
439 HG13 VAL 52 3HG1 VAL 52 2.479 -1.950 -6.913
440 HG21 VAL 52 1HG2 VAL 52 2.879 -3.689 -3.709
441 HG22 VAL 52 2HG2 VAL 52 2.679 -4.071 -5.437
442 HG23 VAL 52 3HG2 VAL 52 3.912 -2.895 -4.921
443 H CYS 53 H CYS 53 2.091 1.550 -4.979
444 HA CYS 53 HA CYS 53 -0.286 1.946 -3.322
445 HB2 CYS 53 1HB CYS 53 1.673 3.973 -4.449
446 HB3 CYS 53 2HB CYS 53 0.198 4.388 -3.599
447 H CYS 54 H CYS 54 -2.001 3.389 -4.380
448 HA CYS 54 HA CYS 54 -1.909 3.499 -7.249
449 HB2 CYS 54 1HB CYS 54 -4.242 2.306 -7.298
450 HB3 CYS 54 2HB CYS 54 -2.767 1.362 -7.350
451 H ASN 55 H ASN 55 -4.124 4.550 -8.006
452 HA ASN 55 HA ASN 55 -5.185 6.175 -5.847
453 HB2 ASN 55 1HB ASN 55 -5.168 8.156 -7.451
454 HB3 ASN 55 2HB ASN 55 -3.571 7.635 -6.951
455 HD21 ASN 55 1HD2 ASN 55 -5.279 8.664 -9.487
456 HD22 ASN 55 2HD2 ASN 55 -4.459 7.908 -10.812
457 H THR 56 H THR 56 -6.173 3.760 -7.291
458 HA THR 56 HA THR 56 -8.545 4.961 -8.545
459 HB THR 56 HB THR 56 -8.403 2.878 -10.103
460 HG1 THR 56 1HG THR 56 -5.980 2.297 -10.189
461 HG21 THR 56 1HG2 THR 56 -7.087 4.017 -11.698
462 HG22 THR 56 2HG2 THR 56 -7.548 5.358 -10.622
463 HG23 THR 56 3HG2 THR 56 -5.941 4.607 -10.471
464 H ASP 57 H ASP 57 -10.516 3.867 -8.222
465 HA ASP 57 HA ASP 57 -10.742 2.722 -5.733
466 HB2 ASP 57 1HB ASP 57 -12.648 2.299 -8.077
467 HB3 ASP 57 2HB ASP 57 -13.058 2.237 -6.374
468 HD2 ASP 57 HD ASP 57 -13.818 4.349 -5.564
469 H ARG 58 H ARG 58 -10.965 0.496 -5.059
470 HA ARG 58 HA ARG 58 -10.505 -1.618 -5.073
471 HB2 ARG 58 1HB ARG 58 -11.433 -1.930 -7.940
472 HB3 ARG 58 2HB ARG 58 -11.744 -2.976 -6.569
473 HG2 ARG 58 1HG ARG 58 -13.144 -1.072 -5.565
474 HG3 ARG 58 2HG ARG 58 -12.971 -0.232 -7.092
475 HD2 ARG 58 1HD ARG 58 -14.041 -3.081 -6.961
476 HD3 ARG 58 2HD ARG 58 -15.098 -1.698 -6.762
477 HE ARG 58 HE ARG 58 -14.780 -1.117 -9.045
478 HH11 ARG 58 1HH ARG 58 -13.216 -2.928 -11.562
479 HH12 ARG 58 2HH1 ARG 58 -14.251 -1.645 -11.166
480 HH21 ARG 58 1HH2 ARG 58 -12.285 -4.227 -9.776
481 HH22 ARG 58 2HH2 ARG 58 -12.687 -3.828 -8.138
482 H CYS 59 H CYS 59 -8.358 0.150 -5.962
483 HA CYS 59 HA CYS 59 -7.097 -1.034 -8.217
484 HB2 CYS 59 1HB CYS 59 -5.198 0.433 -7.635
485 HB3 CYS 59 2HB CYS 59 -6.714 1.309 -7.721
486 H ASN 60 H ASN 60 -6.984 -1.309 -4.639
487 HA ASN 60 HA ASN 60 -4.806 -3.186 -4.847
488 HB2 ASN 60 1HB ASN 60 -4.923 -3.161 -2.325
489 HB3 ASN 60 2HB ASN 60 -4.713 -1.558 -3.001
490 HD21 ASN 60 1HD2 ASN 60 -5.584 -1.566 -0.557
491 HD22 ASN 60 2HD2 ASN 60 -7.274 -1.216 -0.412
492 H1 HOH 101 1H HOH 61 3.391 -12.245 -1.372
493 H2 HOH 101 2H HOH 61 2.367 -12.507 -0.291
Start of MODEL 10
1 H1 LEU 1 H LEU 1 -10.471 8.989 -2.689
2 HA LEU 1 HA LEU 1 -11.350 7.032 -4.104
3 HB2 LEU 1 1HB LEU 1 -8.802 7.768 -3.136
4 HB3 LEU 1 2HB LEU 1 -8.892 6.022 -3.007
5 HG LEU 1 HG LEU 1 -7.923 6.955 -5.149
6 HD11 LEU 1 1HD1 LEU 1 -9.211 4.644 -4.674
7 HD12 LEU 1 2HD1 LEU 1 -10.236 5.293 -5.977
8 HD13 LEU 1 3HD1 LEU 1 -8.492 5.063 -6.248
9 HD21 LEU 1 1HD2 LEU 1 -9.969 8.667 -5.202
10 HD22 LEU 1 2HD2 LEU 1 -9.136 8.120 -6.678
11 HD23 LEU 1 3HD2 LEU 1 -10.679 7.373 -6.197
12 H LYS 2 H LYS 2 -11.070 4.534 -3.957
13 HA LYS 2 HA LYS 2 -12.078 3.695 -1.327
14 HB2 LYS 2 1HB LYS 2 -12.900 2.669 -4.060
15 HB3 LYS 2 2HB LYS 2 -13.449 2.028 -2.526
16 HG2 LYS 2 1HG LYS 2 -14.578 4.090 -1.952
17 HG3 LYS 2 2HG LYS 2 -13.790 4.969 -3.248
18 HD2 LYS 2 1HD LYS 2 -15.374 4.339 -4.752
19 HD3 LYS 2 2HD LYS 2 -15.198 2.649 -4.329
20 HE2 LYS 2 1HE LYS 2 -16.914 2.711 -2.744
21 HE3 LYS 2 2HE LYS 2 -16.645 4.398 -2.355
22 HZ1 LYS 2 1HZ LYS 2 -18.666 3.636 -3.865
23 HZ2 LYS 2 2HZ LYS 2 -17.946 5.076 -4.105
24 HZ3 LYS 2 3HZ LYS 2 -17.529 3.794 -5.032
25 H CYS 3 H CYS 3 -10.868 2.194 -0.293
26 HA CYS 3 HA CYS 3 -8.925 0.754 -1.950
27 HB2 CYS 3 1HB CYS 3 -8.496 1.310 0.983
28 HB3 CYS 3 2HB CYS 3 -7.318 0.876 -0.240
29 H ASN 4 H ASN 4 -8.719 -1.516 -1.537
30 HA ASN 4 HA ASN 4 -10.992 -2.581 -0.112
31 HB2 ASN 4 1HB ASN 4 -8.923 -4.178 -1.687
32 HB3 ASN 4 2HB ASN 4 -10.576 -4.633 -1.328
33 HD21 ASN 4 1HD2 ASN 4 -9.786 -4.830 -3.851
34 HD22 ASN 4 2HD2 ASN 4 -10.469 -3.600 -4.863
35 H LYS 5 H LYS 5 -10.366 -4.870 1.026
36 HA LYS 5 HA LYS 5 -8.146 -4.242 2.810
37 HB2 LYS 5 1HB LYS 5 -10.223 -6.407 3.174
38 HB3 LYS 5 2HB LYS 5 -9.181 -5.689 4.384
39 HG2 LYS 5 1HG LYS 5 -10.803 -4.171 4.823
40 HG3 LYS 5 2HG LYS 5 -10.566 -3.499 3.222
41 HD2 LYS 5 1HD LYS 5 -12.732 -4.105 2.841
42 HD3 LYS 5 2HD LYS 5 -12.098 -5.726 2.637
43 HE2 LYS 5 1HE LYS 5 -13.875 -5.930 4.241
44 HE3 LYS 5 2HE LYS 5 -12.392 -6.054 5.167
45 HZ1 LYS 5 1HZ LYS 5 -12.712 -3.481 5.392
46 HZ2 LYS 5 2HZ LYS 5 -14.272 -3.797 5.048
47 HZ3 LYS 5 3HZ LYS 5 -13.557 -4.525 6.327
48 H LEU 6 H LEU 6 -8.029 -7.172 3.587
49 HA LEU 6 HA LEU 6 -5.820 -7.879 2.128
50 HB2 LEU 6 1HB LEU 6 -6.616 -8.778 4.330
51 HB3 LEU 6 2HB LEU 6 -7.763 -9.772 3.453
52 HG LEU 6 HG LEU 6 -4.904 -9.988 2.639
53 HD11 LEU 6 1HD1 LEU 6 -4.053 -10.731 4.554
54 HD12 LEU 6 2HD1 LEU 6 -5.501 -10.079 5.358
55 HD13 LEU 6 3HD1 LEU 6 -5.456 -11.786 4.854
56 HD21 LEU 6 1HD2 LEU 6 -6.088 -11.487 1.422
57 HD22 LEU 6 2HD2 LEU 6 -5.801 -12.506 2.854
58 HD23 LEU 6 3HD2 LEU 6 -7.358 -11.664 2.657
59 H VAL 7 H VAL 7 -9.274 -8.836 1.617
60 HA VAL 7 HA VAL 7 -8.461 -9.973 -0.953
61 HB VAL 7 HB VAL 7 -10.871 -10.300 0.826
62 HG11 VAL 7 1HG1 VAL 7 -11.570 -10.066 -1.575
63 HG12 VAL 7 2HG1 VAL 7 -10.563 -11.485 -1.950
64 HG13 VAL 7 3HG1 VAL 7 -11.950 -11.645 -0.846
65 HG21 VAL 7 1HG2 VAL 7 -8.692 -11.609 1.170
66 HG22 VAL 7 2HG2 VAL 7 -10.196 -12.551 1.038
67 HG23 VAL 7 3HG2 VAL 7 -9.090 -12.442 -0.352
68 HA PRO 8 HA PRO 8 -10.151 -6.483 -2.894
69 HB2 PRO 8 1HB PRO 8 -10.094 -7.360 -5.481
70 HB3 PRO 8 2HB PRO 8 -8.696 -6.686 -4.667
71 HG2 PRO 8 1HG PRO 8 -9.280 -9.511 -5.313
72 HG3 PRO 8 2HG PRO 8 -7.745 -8.774 -4.898
73 HD2 PRO 8 1HD PRO 8 -9.397 -10.377 -3.186
74 HD3 PRO 8 2HD PRO 8 -7.921 -9.544 -2.739
75 H ILE 9 H ILE 9 -12.030 -7.875 -1.511
76 HA ILE 9 HA ILE 9 -14.183 -7.943 -3.510
77 HB ILE 9 HB ILE 9 -13.406 -10.140 -2.396
78 HG12 ILE 9 1HG1 ILE 9 -15.493 -9.697 -3.766
79 HG13 ILE 9 2HG1 ILE 9 -15.561 -11.051 -2.654
80 HG21 ILE 9 1HG2 ILE 9 -14.647 -10.589 -0.253
81 HG22 ILE 9 2HG2 ILE 9 -13.256 -9.488 -0.115
82 HG23 ILE 9 3HG2 ILE 9 -14.912 -8.835 -0.121
83 HD11 ILE 9 1HD1 ILE 9 -16.627 -9.445 -0.948
84 HD12 ILE 9 2HD1 ILE 9 -16.787 -8.288 -2.290
85 HD13 ILE 9 3HD1 ILE 9 -17.624 -9.856 -2.364
86 H ALA 10 H ALA 10 -13.216 -7.222 -0.106
87 HA ALA 10 HA ALA 10 -15.549 -5.444 0.040
88 HB1 ALA 10 1HB ALA 10 -15.326 -7.355 1.698
89 HB2 ALA 10 2HB ALA 10 -13.870 -6.544 2.324
90 HB3 ALA 10 3HB ALA 10 -15.453 -5.736 2.425
91 H TYR 11 H TYR 11 -15.217 -3.265 0.137
92 HA TYR 11 HA TYR 11 -12.616 -2.301 1.011
93 HB2 TYR 11 1HB TYR 11 -12.578 -0.879 -1.125
94 HB3 TYR 11 2HB TYR 11 -12.405 -2.593 -1.446
95 HD1 TYR 11 1HD TYR 11 -14.418 -3.907 -2.254
96 HD2 TYR 11 2HD TYR 11 -14.406 0.364 -2.013
97 HE1 TYR 11 1HE TYR 11 -16.406 -3.805 -3.836
98 HE2 TYR 11 2HE TYR 11 -16.394 0.452 -3.595
99 HH TYR 11 HH TYR 11 -17.242 -1.839 -5.550
100 H LYS 12 H LYS 12 -12.631 -0.018 1.579
101 HA LYS 12 HA LYS 12 -15.346 1.084 1.769
102 HB2 LYS 12 1HB LYS 12 -14.981 1.777 4.008
103 HB3 LYS 12 2HB LYS 12 -14.550 0.081 3.932
104 HG2 LYS 12 1HG LYS 12 -12.501 0.595 4.750
105 HG3 LYS 12 2HG LYS 12 -12.164 1.491 3.283
106 HD2 LYS 12 1HD LYS 12 -11.846 3.074 5.041
107 HD3 LYS 12 2HD LYS 12 -13.408 3.480 4.356
108 HE2 LYS 12 1HE LYS 12 -14.169 3.365 6.508
109 HE3 LYS 12 2HE LYS 12 -14.149 1.629 6.269
110 HZ1 LYS 12 1HZ LYS 12 -12.628 1.559 7.905
111 HZ2 LYS 12 2HZ LYS 12 -11.553 2.314 6.943
112 HZ3 LYS 12 3HZ LYS 12 -12.525 3.192 7.925
113 H THR 13 H THR 13 -15.125 3.567 2.397
114 HA THR 13 HA THR 13 -13.262 4.655 0.423
115 HB THR 13 HB THR 13 -15.923 5.389 1.620
116 HG1 THR 13 1HG THR 13 -16.253 5.419 -0.594
117 HG21 THR 13 1HG2 THR 13 -15.111 7.528 2.097
118 HG22 THR 13 2HG2 THR 13 -13.718 7.350 1.002
119 HG23 THR 13 3HG2 THR 13 -15.331 7.707 0.339
120 H CYS 14 H CYS 14 -11.543 5.921 0.886
121 HA CYS 14 HA CYS 14 -11.199 6.553 3.728
122 HB2 CYS 14 1HB CYS 14 -9.098 5.762 1.685
123 HB3 CYS 14 2HB CYS 14 -8.728 6.409 3.272
124 HA PRO 15 HA PRO 15 -11.337 10.413 1.357
125 HB2 PRO 15 1HB PRO 15 -13.021 11.782 3.019
126 HB3 PRO 15 2HB PRO 15 -13.576 10.877 1.625
127 HG2 PRO 15 1HG PRO 15 -13.768 10.171 4.489
128 HG3 PRO 15 2HG PRO 15 -14.668 9.518 3.135
129 HD2 PRO 15 1HD PRO 15 -12.480 8.267 4.505
130 HD3 PRO 15 2HD PRO 15 -13.304 7.668 3.080
131 H GLU 16 H GLU 16 -11.223 10.183 4.875
132 HA GLU 16 HA GLU 16 -10.040 12.466 5.492
133 HB2 GLU 16 1HB GLU 16 -10.588 10.455 6.994
134 HB3 GLU 16 2HB GLU 16 -9.015 9.811 6.573
135 HG2 GLU 16 1HG GLU 16 -8.561 12.531 7.297
136 HG3 GLU 16 2HG GLU 16 -9.684 11.908 8.488
137 HE2 GLU 16 HE GLU 16 -6.622 12.294 8.022
138 H GLY 17 H GLY 17 -8.691 13.390 3.893
139 HA2 GLY 17 1HA GLY 17 -6.904 13.465 2.439
140 HA3 GLY 17 2HA GLY 17 -6.087 13.426 3.989
141 H LYS 18 H LYS 18 -7.845 10.875 2.084
142 HA LYS 18 HA LYS 18 -5.318 9.433 1.859
143 HB2 LYS 18 1HB LYS 18 -7.822 8.409 3.205
144 HB3 LYS 18 2HB LYS 18 -6.642 7.322 2.500
145 HG2 LYS 18 1HG LYS 18 -5.039 7.785 4.105
146 HG3 LYS 18 2HG LYS 18 -5.517 9.464 4.259
147 HD2 LYS 18 1HD LYS 18 -6.369 8.733 6.272
148 HD3 LYS 18 2HD LYS 18 -7.755 8.322 5.282
149 HE2 LYS 18 1HE LYS 18 -7.344 6.045 5.396
150 HE3 LYS 18 2HE LYS 18 -5.604 6.245 5.388
151 HZ1 LYS 18 1HZ LYS 18 -6.857 5.562 7.578
152 HZ2 LYS 18 2HZ LYS 18 -5.563 6.548 7.664
153 HZ3 LYS 18 3HZ LYS 18 -7.073 7.180 7.699
154 H ASN 19 H ASN 19 -5.792 10.595 -0.307
155 HA ASN 19 HA ASN 19 -7.851 9.244 -1.801
156 HB2 ASN 19 1HB ASN 19 -7.084 11.823 -1.882
157 HB3 ASN 19 2HB ASN 19 -5.904 11.217 -3.028
158 HD21 ASN 19 1HD2 ASN 19 -6.830 12.355 -4.711
159 HD22 ASN 19 2HD2 ASN 19 -8.311 11.886 -5.477
160 H LEU 20 H LEU 20 -5.342 7.865 -0.781
161 HA LEU 20 HA LEU 20 -4.495 6.796 -3.343
162 HB2 LEU 20 1HB LEU 20 -2.657 8.110 -1.357
163 HB3 LEU 20 2HB LEU 20 -2.089 6.854 -2.439
164 HG LEU 20 HG LEU 20 -3.265 9.529 -3.237
165 HD11 LEU 20 1HD1 LEU 20 -0.714 8.958 -2.396
166 HD12 LEU 20 2HD1 LEU 20 -0.576 8.811 -4.165
167 HD13 LEU 20 3HD1 LEU 20 -1.184 10.320 -3.442
168 HD21 LEU 20 1HD2 LEU 20 -4.010 8.021 -4.894
169 HD22 LEU 20 2HD2 LEU 20 -2.562 8.810 -5.567
170 HD23 LEU 20 3HD2 LEU 20 -2.455 7.155 -4.920
171 H CYS 21 H CYS 21 -4.424 4.600 -3.267
172 HA CYS 21 HA CYS 21 -4.658 3.433 -0.599
173 HB2 CYS 21 1HB CYS 21 -5.361 2.138 -3.251
174 HB3 CYS 21 2HB CYS 21 -5.726 1.535 -1.646
175 H TYR 22 H TYR 22 -3.392 1.438 -0.170
176 HA TYR 22 HA TYR 22 -1.210 0.928 -2.031
177 HB2 TYR 22 1HB TYR 22 0.440 1.421 -0.318
178 HB3 TYR 22 2HB TYR 22 -0.691 2.753 -0.204
179 HD1 TYR 22 1HD TYR 22 -0.066 -0.642 1.262
180 HD2 TYR 22 2HD TYR 22 -1.584 3.310 1.878
181 HE1 TYR 22 1HE TYR 22 -0.435 -1.160 3.724
182 HE2 TYR 22 2HE TYR 22 -1.948 2.779 4.337
183 HH TYR 22 HH TYR 22 -1.940 -0.327 5.530
184 H LYS 23 H LYS 23 -0.134 -1.129 -1.643
185 HA LYS 23 HA LYS 23 -1.486 -2.832 0.309
186 HB2 LYS 23 1HB LYS 23 -1.614 -4.640 -1.424
187 HB3 LYS 23 2HB LYS 23 -2.717 -3.302 -1.669
188 HG2 LYS 23 1HG LYS 23 -0.006 -3.138 -2.980
189 HG3 LYS 23 2HG LYS 23 -1.173 -4.253 -3.661
190 HD2 LYS 23 1HD LYS 23 -2.691 -1.932 -3.239
191 HD3 LYS 23 2HD LYS 23 -1.136 -1.300 -3.740
192 HE2 LYS 23 1HE LYS 23 -2.788 -1.803 -5.637
193 HE3 LYS 23 2HE LYS 23 -1.189 -2.498 -5.824
194 HZ1 LYS 23 1HZ LYS 23 -3.357 -3.967 -6.069
195 HZ2 LYS 23 2HZ LYS 23 -1.993 -4.607 -5.451
196 HZ3 LYS 23 3HZ LYS 23 -3.171 -4.080 -4.446
197 H MET 24 H MET 24 -0.048 -3.966 1.513
198 HA MET 24 HA MET 24 2.703 -3.839 0.624
199 HB2 MET 24 1HB MET 24 1.311 -4.449 3.280
200 HB3 MET 24 2HB MET 24 3.028 -4.736 3.074
201 HG2 MET 24 1HG MET 24 3.241 -2.287 2.317
202 HG3 MET 24 2HG MET 24 1.574 -2.064 2.813
203 HE1 MET 24 1HE MET 24 3.863 -4.647 4.929
204 HE2 MET 24 2HE MET 24 4.854 -3.664 3.823
205 HE3 MET 24 3HE MET 24 4.979 -3.423 5.583
206 H PHE 25 H PHE 25 3.621 -5.575 -0.375
207 HA PHE 25 HA PHE 25 2.358 -8.180 0.089
208 HB2 PHE 25 1HB PHE 25 4.145 -7.029 -2.138
209 HB3 PHE 25 2HB PHE 25 3.558 -8.680 -2.129
210 HD1 PHE 25 1HD PHE 25 1.054 -9.070 -2.245
211 HD2 PHE 25 2HD PHE 25 2.816 -5.281 -2.986
212 HE1 PHE 25 1HE PHE 25 -1.027 -8.336 -3.440
213 HE2 PHE 25 2HE PHE 25 0.734 -4.547 -4.181
214 HZ PHE 25 HZ PHE 25 -1.162 -6.083 -4.395
215 H MET 26 H MET 26 3.585 -9.950 0.762
216 HA MET 26 HA MET 26 6.175 -9.236 1.801
217 HB2 MET 26 1HB MET 26 4.022 -10.887 2.639
218 HB3 MET 26 2HB MET 26 5.271 -12.028 2.183
219 HG2 MET 26 1HG MET 26 6.905 -10.722 3.641
220 HG3 MET 26 2HG MET 26 5.562 -9.733 4.180
221 HE1 MET 26 1HE MET 26 3.289 -11.150 5.762
222 HE2 MET 26 2HE MET 26 4.441 -11.341 7.105
223 HE3 MET 26 3HE MET 26 4.585 -9.954 5.999
224 H MET 27 H MET 27 8.146 -10.232 1.212
225 HA MET 27 HA MET 27 9.582 -11.277 -0.043
226 HB2 MET 27 1HB MET 27 7.158 -13.059 -0.275
227 HB3 MET 27 2HB MET 27 8.429 -13.336 -1.449
228 HG2 MET 27 1HG MET 27 8.982 -13.184 1.549
229 HG3 MET 27 2HG MET 27 8.588 -14.689 0.741
230 HE1 MET 27 1HE MET 27 11.096 -15.473 -1.652
231 HE2 MET 27 2HE MET 27 11.253 -16.184 -0.029
232 HE3 MET 27 3HE MET 27 9.640 -15.843 -0.698
233 H SER 28 H SER 28 6.509 -11.491 -1.991
234 HA SER 28 HA SER 28 7.769 -9.740 -3.920
235 HB2 SER 28 1HB SER 28 6.737 -12.541 -4.472
236 HB3 SER 28 2HB SER 28 6.759 -11.332 -5.742
237 HG SER 28 HG SER 28 8.719 -12.803 -5.451
238 H ASP 29 H ASP 29 6.102 -8.885 -5.537
239 HA ASP 29 HA ASP 29 3.683 -8.392 -4.080
240 HB2 ASP 29 1HB ASP 29 3.316 -6.986 -6.346
241 HB3 ASP 29 2HB ASP 29 4.327 -6.394 -5.044
242 HD2 ASP 29 HD ASP 29 5.639 -7.078 -8.629
243 H LEU 30 H LEU 30 4.915 -10.123 -6.948
244 HA LEU 30 HA LEU 30 2.741 -10.476 -8.500
245 HB2 LEU 30 1HB LEU 30 4.994 -12.300 -7.732
246 HB3 LEU 30 2HB LEU 30 3.727 -12.867 -8.802
247 HG LEU 30 HG LEU 30 5.331 -10.361 -9.351
248 HD11 LEU 30 1HD1 LEU 30 6.085 -13.191 -9.669
249 HD12 LEU 30 2HD1 LEU 30 6.293 -12.191 -11.126
250 HD13 LEU 30 3HD1 LEU 30 7.094 -11.726 -9.606
251 HD21 LEU 30 1HD2 LEU 30 4.437 -10.405 -11.510
252 HD22 LEU 30 2HD2 LEU 30 3.882 -12.089 -11.352
253 HD23 LEU 30 3HD2 LEU 30 3.055 -10.791 -10.457
254 H THR 31 H THR 31 3.509 -12.249 -5.442
255 HA THR 31 HA THR 31 1.124 -13.810 -5.582
256 HB THR 31 HB THR 31 1.890 -14.533 -3.325
257 HG1 THR 31 1HG THR 31 3.948 -13.282 -2.678
258 HG21 THR 31 1HG2 THR 31 3.997 -15.456 -3.913
259 HG22 THR 31 2HG2 THR 31 3.258 -15.169 -5.507
260 HG23 THR 31 3HG2 THR 31 4.460 -14.024 -4.864
261 H ILE 32 H ILE 32 -0.273 -13.773 -3.381
262 HA ILE 32 HA ILE 32 -1.748 -11.374 -3.598
263 HB ILE 32 HB ILE 32 -2.025 -13.990 -2.441
264 HG12 ILE 32 1HG1 ILE 32 -4.507 -12.678 -2.507
265 HG13 ILE 32 2HG1 ILE 32 -3.585 -11.959 -3.813
266 HG21 ILE 32 1HG2 ILE 32 -3.572 -13.199 -0.560
267 HG22 ILE 32 2HG2 ILE 32 -1.818 -13.150 -0.264
268 HG23 ILE 32 3HG2 ILE 32 -2.697 -11.653 -0.656
269 HD11 ILE 32 1HD1 ILE 32 -4.658 -13.886 -4.757
270 HD12 ILE 32 2HD1 ILE 32 -2.956 -14.355 -4.525
271 HD13 ILE 32 3HD1 ILE 32 -4.197 -14.908 -3.375
272 HA PRO 33 HA PRO 33 0.150 -8.986 -0.546
273 HB2 PRO 33 1HB PRO 33 -1.889 -7.336 0.221
274 HB3 PRO 33 2HB PRO 33 -0.952 -7.086 -1.238
275 HG2 PRO 33 1HG PRO 33 -3.705 -8.126 -0.961
276 HG3 PRO 33 2HG PRO 33 -2.916 -7.475 -2.383
277 HD2 PRO 33 1HD PRO 33 -3.406 -10.241 -1.806
278 HD3 PRO 33 2HD PRO 33 -2.515 -9.597 -3.170
279 H VAL 34 H VAL 34 0.542 -8.613 1.678
280 HA VAL 34 HA VAL 34 -0.861 -10.633 3.244
281 HB VAL 34 HB VAL 34 0.977 -10.152 4.878
282 HG11 VAL 34 1HG1 VAL 34 2.094 -10.924 2.176
283 HG12 VAL 34 2HG1 VAL 34 2.537 -11.543 3.784
284 HG13 VAL 34 3HG1 VAL 34 0.964 -11.972 3.067
285 HG21 VAL 34 1HG2 VAL 34 1.388 -7.887 3.284
286 HG22 VAL 34 2HG2 VAL 34 2.424 -8.469 4.610
287 HG23 VAL 34 3HG2 VAL 34 2.774 -8.949 2.932
288 H LYS 35 H LYS 35 -0.349 -7.120 2.914
289 HA LYS 35 HA LYS 35 -2.628 -6.671 4.598
290 HB2 LYS 35 1HB LYS 35 -1.632 -5.499 6.345
291 HB3 LYS 35 2HB LYS 35 -0.591 -6.894 6.149
292 HG2 LYS 35 1HG LYS 35 1.048 -5.592 4.886
293 HG3 LYS 35 2HG LYS 35 -0.034 -4.215 4.798
294 HD2 LYS 35 1HD LYS 35 0.776 -5.311 7.507
295 HD3 LYS 35 2HD LYS 35 1.882 -4.274 6.628
296 HE2 LYS 35 1HE LYS 35 -1.009 -3.427 7.011
297 HE3 LYS 35 2HE LYS 35 0.147 -3.198 8.307
298 HZ1 LYS 35 1HZ LYS 35 -0.046 -1.279 6.726
299 HZ2 LYS 35 2HZ LYS 35 1.481 -1.821 6.887
300 HZ3 LYS 35 3HZ LYS 35 0.600 -2.247 5.575
301 H ARG 36 H ARG 36 -3.199 -4.271 4.592
302 HA ARG 36 HA ARG 36 -1.877 -2.663 2.702
303 HB2 ARG 36 1HB ARG 36 -3.739 -2.483 1.054
304 HB3 ARG 36 2HB ARG 36 -3.092 -4.112 1.100
305 HG2 ARG 36 1HG ARG 36 -5.470 -3.341 2.831
306 HG3 ARG 36 2HG ARG 36 -5.697 -3.787 1.152
307 HD2 ARG 36 1HD ARG 36 -5.479 -5.997 1.642
308 HD3 ARG 36 2HD ARG 36 -3.933 -5.725 2.422
309 HE ARG 36 HE ARG 36 -6.208 -4.885 4.067
310 HH11 ARG 36 1HH ARG 36 -5.941 -7.553 6.274
311 HH12 ARG 36 2HH1 ARG 36 -6.623 -6.035 5.955
312 HH21 ARG 36 1HH2 ARG 36 -4.473 -8.505 4.636
313 HH22 ARG 36 2HH2 ARG 36 -4.147 -7.627 3.179
314 H GLY 37 H GLY 37 -3.391 -0.583 2.264
315 HA2 GLY 37 1HA GLY 37 -5.510 -0.034 4.038
316 HA3 GLY 37 2HA GLY 37 -4.014 0.536 4.749
317 H CYS 38 H CYS 38 -5.575 2.581 4.331
318 HA CYS 38 HA CYS 38 -5.200 3.556 1.623
319 HB2 CYS 38 1HB CYS 38 -6.645 5.011 3.843
320 HB3 CYS 38 2HB CYS 38 -6.819 5.213 2.112
321 H ILE 39 H ILE 39 -4.393 5.904 1.425
322 HA ILE 39 HA ILE 39 -2.911 7.003 3.573
323 HB ILE 39 HB ILE 39 -1.497 5.034 2.867
324 HG12 ILE 39 1HG1 ILE 39 0.040 7.577 2.457
325 HG13 ILE 39 2HG1 ILE 39 -0.803 7.333 3.973
326 HG21 ILE 39 1HG2 ILE 39 -1.560 4.863 0.576
327 HG22 ILE 39 2HG2 ILE 39 -1.467 6.623 0.326
328 HG23 ILE 39 3HG2 ILE 39 -0.015 5.714 0.810
329 HD11 ILE 39 1HD1 ILE 39 1.403 6.442 4.298
330 HD12 ILE 39 2HD1 ILE 39 0.338 5.029 4.103
331 HD13 ILE 39 3HD1 ILE 39 1.356 5.571 2.746
332 H ASP 40 H ASP 40 -1.408 8.864 2.544
333 HA ASP 40 HA ASP 40 -3.153 10.108 0.582
334 HB2 ASP 40 1HB ASP 40 -3.040 11.657 2.296
335 HB3 ASP 40 2HB ASP 40 -1.492 11.070 2.869
336 HD2 ASP 40 HD ASP 40 -2.030 14.042 0.396
337 H VAL 41 H VAL 41 0.218 9.211 1.435
338 HA VAL 41 HA VAL 41 0.974 9.718 -1.346
339 HB VAL 41 HB VAL 41 1.688 11.581 0.181
340 HG11 VAL 41 1HG1 VAL 41 3.850 10.941 1.501
341 HG12 VAL 41 2HG1 VAL 41 2.254 10.632 2.225
342 HG13 VAL 41 3HG1 VAL 41 3.164 9.299 1.476
343 HG21 VAL 41 1HG2 VAL 41 2.832 10.808 -2.001
344 HG22 VAL 41 2HG2 VAL 41 3.744 11.879 -0.910
345 HG23 VAL 41 3HG2 VAL 41 4.091 10.133 -0.938
346 H CYS 42 H CYS 42 2.763 8.353 -2.088
347 HA CYS 42 HA CYS 42 2.502 5.740 -1.137
348 HB2 CYS 42 1HB CYS 42 3.190 6.573 -3.483
349 HB3 CYS 42 2HB CYS 42 4.810 6.711 -2.830
350 HA PRO 43 HA PRO 43 5.380 6.202 2.161
351 HB2 PRO 43 1HB PRO 43 5.065 3.720 3.260
352 HB3 PRO 43 2HB PRO 43 4.019 5.074 3.636
353 HG2 PRO 43 1HG PRO 43 3.469 2.729 1.924
354 HG3 PRO 43 2HG PRO 43 2.333 3.849 2.648
355 HD2 PRO 43 1HD PRO 43 3.170 3.786 -0.095
356 HD3 PRO 43 2HD PRO 43 2.125 4.976 0.655
357 H LYS 44 H LYS 44 7.128 4.521 3.235
358 HA LYS 44 HA LYS 44 9.058 4.376 1.198
359 HB2 LYS 44 1HB LYS 44 8.896 3.439 4.055
360 HB3 LYS 44 2HB LYS 44 10.256 2.981 3.051
361 HG2 LYS 44 1HG LYS 44 11.123 4.976 3.798
362 HG3 LYS 44 2HG LYS 44 10.195 5.635 2.466
363 HD2 LYS 44 1HD LYS 44 9.563 6.979 4.322
364 HD3 LYS 44 2HD LYS 44 8.226 5.861 4.139
365 HE2 LYS 44 1HE LYS 44 8.538 5.138 6.264
366 HE3 LYS 44 2HE LYS 44 10.139 4.565 5.837
367 HZ1 LYS 44 1HZ LYS 44 11.098 6.392 6.765
368 HZ2 LYS 44 2HZ LYS 44 9.952 7.432 6.257
369 HZ3 LYS 44 3HZ LYS 44 9.676 6.492 7.567
370 H ASN 45 H ASN 45 10.354 1.979 1.310
371 HA ASN 45 HA ASN 45 8.517 -0.158 1.037
372 HB2 ASN 45 1HB ASN 45 8.209 0.965 -1.179
373 HB3 ASN 45 2HB ASN 45 9.939 0.915 -1.458
374 HD21 ASN 45 1HD2 ASN 45 8.883 -0.173 -3.410
375 HD22 ASN 45 2HD2 ASN 45 8.775 -1.902 -3.379
376 H SER 46 H SER 46 9.708 -1.967 1.689
377 HA SER 46 HA SER 46 12.599 -1.700 1.539
378 HB2 SER 46 1HB SER 46 12.744 -3.145 3.425
379 HB3 SER 46 2HB SER 46 11.406 -2.071 3.782
380 HG SER 46 HG SER 46 9.975 -3.700 3.612
381 H LEU 47 H LEU 47 13.711 -4.042 1.393
382 HA LEU 47 HA LEU 47 12.767 -5.147 -1.077
383 HB2 LEU 47 1HB LEU 47 15.002 -5.124 -1.178
384 HB3 LEU 47 2HB LEU 47 15.203 -5.210 0.561
385 HG LEU 47 HG LEU 47 14.280 -7.667 -0.883
386 HD11 LEU 47 1HD1 LEU 47 16.084 -6.922 -2.307
387 HD12 LEU 47 2HD1 LEU 47 17.138 -6.660 -0.898
388 HD13 LEU 47 3HD1 LEU 47 16.628 -8.309 -1.332
389 HD21 LEU 47 1HD2 LEU 47 16.351 -8.043 1.078
390 HD22 LEU 47 2HD2 LEU 47 15.063 -7.013 1.747
391 HD23 LEU 47 3HD2 LEU 47 14.666 -8.616 1.083
392 H LEU 48 H LEU 48 12.228 -5.693 2.296
393 HA LEU 48 HA LEU 48 11.762 -8.500 2.087
394 HB2 LEU 48 1HB LEU 48 12.339 -6.875 4.124
395 HB3 LEU 48 2HB LEU 48 10.593 -6.862 4.276
396 HG LEU 48 HG LEU 48 11.542 -8.536 5.735
397 HD11 LEU 48 1HD1 LEU 48 9.365 -9.052 4.854
398 HD12 LEU 48 2HD1 LEU 48 10.076 -9.740 3.374
399 HD13 LEU 48 3HD1 LEU 48 10.322 -10.551 4.939
400 HD21 LEU 48 1HD2 LEU 48 12.855 -10.401 4.990
401 HD22 LEU 48 2HD2 LEU 48 12.687 -9.906 3.289
402 HD23 LEU 48 3HD2 LEU 48 13.627 -8.903 4.419
403 H VAL 49 H VAL 49 9.617 -5.589 2.466
404 HA VAL 49 HA VAL 49 7.493 -7.219 1.254
405 HB VAL 49 HB VAL 49 7.113 -4.831 3.054
406 HG11 VAL 49 1HG1 VAL 49 5.254 -5.653 1.529
407 HG12 VAL 49 2HG1 VAL 49 5.233 -7.142 2.504
408 HG13 VAL 49 3HG1 VAL 49 4.865 -5.575 3.264
409 HG21 VAL 49 1HG2 VAL 49 7.059 -6.148 4.969
410 HG22 VAL 49 2HG2 VAL 49 6.851 -7.660 4.052
411 HG23 VAL 49 3HG2 VAL 49 8.432 -6.842 4.073
412 H LYS 50 H LYS 50 6.656 -6.522 -0.662
413 HA LYS 50 HA LYS 50 7.835 -4.143 -1.794
414 HB2 LYS 50 1HB LYS 50 6.305 -6.502 -2.819
415 HB3 LYS 50 2HB LYS 50 6.275 -5.025 -3.760
416 HG2 LYS 50 1HG LYS 50 8.963 -5.880 -2.742
417 HG3 LYS 50 2HG LYS 50 8.248 -6.901 -3.973
418 HD2 LYS 50 1HD LYS 50 7.964 -4.950 -5.476
419 HD3 LYS 50 2HD LYS 50 8.577 -3.876 -4.235
420 HE2 LYS 50 1HE LYS 50 10.297 -6.218 -5.058
421 HE3 LYS 50 2HE LYS 50 10.181 -4.855 -6.154
422 HZ1 LYS 50 1HZ LYS 50 11.789 -3.990 -4.839
423 HZ2 LYS 50 2HZ LYS 50 10.609 -3.644 -3.772
424 HZ3 LYS 50 3HZ LYS 50 11.461 -5.033 -3.622
425 H TYR 51 H TYR 51 6.897 -2.166 -1.875
426 HA TYR 51 HA TYR 51 4.146 -1.996 -0.893
427 HB2 TYR 51 1HB TYR 51 6.652 -0.275 -1.087
428 HB3 TYR 51 2HB TYR 51 5.114 0.562 -1.041
429 HD1 TYR 51 1HD TYR 51 4.716 1.465 1.053
430 HD2 TYR 51 2HD TYR 51 6.492 -2.418 0.793
431 HE1 TYR 51 1HE TYR 51 4.696 1.279 3.589
432 HE2 TYR 51 2HE TYR 51 6.466 -2.592 3.330
433 HH TYR 51 HH TYR 51 5.861 -1.673 5.187
434 H VAL 52 H VAL 52 2.488 -1.543 -2.255
435 HA VAL 52 HA VAL 52 3.201 -0.312 -4.826
436 HB VAL 52 HB VAL 52 0.907 -2.216 -4.473
437 HG11 VAL 52 1HG1 VAL 52 1.902 -0.644 -6.598
438 HG12 VAL 52 2HG1 VAL 52 2.306 -2.332 -6.995
439 HG13 VAL 52 3HG1 VAL 52 0.619 -1.876 -6.657
440 HG21 VAL 52 1HG2 VAL 52 3.770 -2.990 -5.132
441 HG22 VAL 52 2HG2 VAL 52 2.869 -3.430 -3.661
442 HG23 VAL 52 3HG2 VAL 52 2.351 -4.060 -5.242
443 H CYS 53 H CYS 53 2.186 1.590 -5.239
444 HA CYS 53 HA CYS 53 -0.081 2.226 -3.497
445 HB2 CYS 53 1HB CYS 53 1.845 4.149 -4.843
446 HB3 CYS 53 2HB CYS 53 0.513 4.588 -3.792
447 H CYS 54 H CYS 54 -1.838 3.519 -4.546
448 HA CYS 54 HA CYS 54 -1.805 3.635 -7.414
449 HB2 CYS 54 1HB CYS 54 -4.130 2.368 -7.366
450 HB3 CYS 54 2HB CYS 54 -2.620 1.501 -7.560
451 H ASN 55 H ASN 55 -4.199 4.491 -8.074
452 HA ASN 55 HA ASN 55 -5.204 6.133 -5.908
453 HB2 ASN 55 1HB ASN 55 -5.349 8.087 -7.536
454 HB3 ASN 55 2HB ASN 55 -3.709 7.648 -7.104
455 HD21 ASN 55 1HD2 ASN 55 -5.307 8.765 -9.543
456 HD22 ASN 55 2HD2 ASN 55 -4.608 7.955 -10.905
457 H THR 56 H THR 56 -5.967 3.650 -7.616
458 HA THR 56 HA THR 56 -8.466 4.726 -8.748
459 HB THR 56 HB THR 56 -8.298 2.529 -10.135
460 HG1 THR 56 1HG THR 56 -6.323 1.466 -9.876
461 HG21 THR 56 1HG2 THR 56 -7.432 4.982 -10.820
462 HG22 THR 56 2HG2 THR 56 -5.838 4.210 -10.655
463 HG23 THR 56 3HG2 THR 56 -7.024 3.564 -11.816
464 H ASP 57 H ASP 57 -10.412 3.888 -8.113
465 HA ASP 57 HA ASP 57 -10.502 2.737 -5.615
466 HB2 ASP 57 1HB ASP 57 -12.657 2.539 -7.767
467 HB3 ASP 57 2HB ASP 57 -12.905 2.477 -6.032
468 HD2 ASP 57 HD ASP 57 -13.305 5.020 -5.177
469 H ARG 58 H ARG 58 -10.367 0.569 -4.961
470 HA ARG 58 HA ARG 58 -10.419 -1.601 -5.025
471 HB2 ARG 58 1HB ARG 58 -11.319 -1.648 -7.934
472 HB3 ARG 58 2HB ARG 58 -11.627 -2.845 -6.692
473 HG2 ARG 58 1HG ARG 58 -12.913 -0.926 -5.448
474 HG3 ARG 58 2HG ARG 58 -12.872 -0.088 -6.986
475 HD2 ARG 58 1HD ARG 58 -13.734 -2.596 -7.777
476 HD3 ARG 58 2HD ARG 58 -14.447 -2.486 -6.180
477 HE ARG 58 HE ARG 58 -15.900 -0.824 -6.963
478 HH11 ARG 58 1HH ARG 58 -16.068 0.874 -9.988
479 HH12 ARG 58 2HH1 ARG 58 -16.816 0.532 -8.506
480 HH21 ARG 58 1HH2 ARG 58 -13.944 -0.137 -10.446
481 HH22 ARG 58 2HH2 ARG 58 -13.230 -1.183 -9.263
482 H CYS 59 H CYS 59 -8.159 0.126 -5.965
483 HA CYS 59 HA CYS 59 -6.914 -1.228 -8.126
484 HB2 CYS 59 1HB CYS 59 -5.027 0.224 -7.711
485 HB3 CYS 59 2HB CYS 59 -6.504 1.162 -7.621
486 H ASN 60 H ASN 60 -6.861 -1.327 -4.537
487 HA ASN 60 HA ASN 60 -4.828 -3.388 -4.671
488 HB2 ASN 60 1HB ASN 60 -4.596 -3.055 -2.247
489 HB3 ASN 60 2HB ASN 60 -4.573 -1.485 -3.024
490 HD21 ASN 60 1HD2 ASN 60 -5.211 -2.026 -0.317
491 HD22 ASN 60 2HD2 ASN 60 -6.844 -1.534 -0.013
492 H1 HOH 101 1H HOH 61 3.160 -11.770 -1.353
493 H2 HOH 101 2H HOH 61 2.031 -11.877 -0.352
Start of MODEL 11
1 H1 LEU 1 H LEU 1 -10.648 8.897 -2.329
2 HA LEU 1 HA LEU 1 -11.688 6.989 -3.698
3 HB2 LEU 1 1HB LEU 1 -9.095 7.812 -3.217
4 HB3 LEU 1 2HB LEU 1 -9.027 6.092 -2.890
5 HG LEU 1 HG LEU 1 -10.474 6.362 -5.305
6 HD11 LEU 1 1HD1 LEU 1 -8.045 8.164 -5.212
7 HD12 LEU 1 2HD1 LEU 1 -8.767 7.544 -6.716
8 HD13 LEU 1 3HD1 LEU 1 -9.718 8.597 -5.640
9 HD21 LEU 1 1HD2 LEU 1 -9.102 4.462 -4.779
10 HD22 LEU 1 2HD2 LEU 1 -8.478 5.219 -6.265
11 HD23 LEU 1 3HD2 LEU 1 -7.639 5.474 -4.717
12 H LYS 2 H LYS 2 -11.943 4.665 -3.736
13 HA LYS 2 HA LYS 2 -12.375 3.630 -1.034
14 HB2 LYS 2 1HB LYS 2 -13.487 2.668 -3.687
15 HB3 LYS 2 2HB LYS 2 -13.900 2.040 -2.103
16 HG2 LYS 2 1HG LYS 2 -14.630 4.425 -1.470
17 HG3 LYS 2 2HG LYS 2 -14.437 4.851 -3.159
18 HD2 LYS 2 1HD LYS 2 -15.983 2.401 -2.989
19 HD3 LYS 2 2HD LYS 2 -16.687 3.585 -1.906
20 HE2 LYS 2 1HE LYS 2 -16.526 5.261 -3.888
21 HE3 LYS 2 2HE LYS 2 -16.191 3.870 -4.899
22 HZ1 LYS 2 1HZ LYS 2 -18.309 2.900 -4.171
23 HZ2 LYS 2 2HZ LYS 2 -18.620 4.182 -3.216
24 HZ3 LYS 2 3HZ LYS 2 -18.514 4.382 -4.836
25 H CYS 3 H CYS 3 -10.920 2.242 -0.199
26 HA CYS 3 HA CYS 3 -9.173 0.885 -2.113
27 HB2 CYS 3 1HB CYS 3 -8.576 1.194 0.829
28 HB3 CYS 3 2HB CYS 3 -7.469 0.858 -0.486
29 H ASN 4 H ASN 4 -8.740 -1.417 -1.740
30 HA ASN 4 HA ASN 4 -11.017 -2.682 -0.509
31 HB2 ASN 4 1HB ASN 4 -8.697 -3.871 -2.121
32 HB3 ASN 4 2HB ASN 4 -10.132 -4.748 -1.628
33 HD21 ASN 4 1HD2 ASN 4 -9.731 -4.870 -4.162
34 HD22 ASN 4 2HD2 ASN 4 -10.740 -3.819 -5.101
35 H LYS 5 H LYS 5 -10.536 -4.739 0.852
36 HA LYS 5 HA LYS 5 -8.419 -4.098 2.722
37 HB2 LYS 5 1HB LYS 5 -10.497 -6.295 2.893
38 HB3 LYS 5 2HB LYS 5 -9.507 -5.660 4.192
39 HG2 LYS 5 1HG LYS 5 -10.983 -3.983 4.581
40 HG3 LYS 5 2HG LYS 5 -10.900 -3.455 2.913
41 HD2 LYS 5 1HD LYS 5 -13.099 -4.098 2.845
42 HD3 LYS 5 2HD LYS 5 -12.438 -5.703 2.610
43 HE2 LYS 5 1HE LYS 5 -13.439 -6.366 4.533
44 HE3 LYS 5 2HE LYS 5 -12.394 -5.277 5.426
45 HZ1 LYS 5 1HZ LYS 5 -14.333 -4.251 5.935
46 HZ2 LYS 5 2HZ LYS 5 -14.275 -3.596 4.445
47 HZ3 LYS 5 3HZ LYS 5 -15.125 -4.970 4.698
48 H LEU 6 H LEU 6 -8.260 -7.023 3.521
49 HA LEU 6 HA LEU 6 -5.931 -7.635 2.150
50 HB2 LEU 6 1HB LEU 6 -6.157 -8.592 4.232
51 HB3 LEU 6 2HB LEU 6 -7.804 -9.115 3.945
52 HG LEU 6 HG LEU 6 -6.704 -10.716 2.175
53 HD11 LEU 6 1HD1 LEU 6 -4.380 -9.580 3.551
54 HD12 LEU 6 2HD1 LEU 6 -4.413 -11.360 3.558
55 HD13 LEU 6 3HD1 LEU 6 -4.490 -10.474 2.016
56 HD21 LEU 6 1HD2 LEU 6 -6.672 -11.098 5.174
57 HD22 LEU 6 2HD2 LEU 6 -7.920 -11.595 4.007
58 HD23 LEU 6 3HD2 LEU 6 -6.338 -12.410 4.017
59 H VAL 7 H VAL 7 -9.351 -8.353 1.450
60 HA VAL 7 HA VAL 7 -8.443 -9.779 -0.955
61 HB VAL 7 HB VAL 7 -10.975 -10.030 0.677
62 HG11 VAL 7 1HG1 VAL 7 -11.902 -11.452 -0.918
63 HG12 VAL 7 2HG1 VAL 7 -11.168 -10.175 -1.917
64 HG13 VAL 7 3HG1 VAL 7 -10.340 -11.738 -1.723
65 HG21 VAL 7 1HG2 VAL 7 -8.879 -11.147 1.530
66 HG22 VAL 7 2HG2 VAL 7 -10.236 -12.248 1.192
67 HG23 VAL 7 3HG2 VAL 7 -8.880 -12.131 0.046
68 HA PRO 8 HA PRO 8 -10.169 -6.455 -3.132
69 HB2 PRO 8 1HB PRO 8 -10.128 -7.504 -5.655
70 HB3 PRO 8 2HB PRO 8 -8.725 -6.778 -4.896
71 HG2 PRO 8 1HG PRO 8 -9.316 -9.639 -5.345
72 HG3 PRO 8 2HG PRO 8 -7.777 -8.879 -4.991
73 HD2 PRO 8 1HD PRO 8 -9.419 -10.360 -3.166
74 HD3 PRO 8 2HD PRO 8 -7.941 -9.501 -2.784
75 H ILE 9 H ILE 9 -12.042 -7.742 -1.646
76 HA ILE 9 HA ILE 9 -14.215 -7.893 -3.617
77 HB ILE 9 HB ILE 9 -13.453 -10.079 -2.524
78 HG12 ILE 9 1HG1 ILE 9 -15.711 -9.429 -3.683
79 HG13 ILE 9 2HG1 ILE 9 -15.553 -10.950 -2.829
80 HG21 ILE 9 1HG2 ILE 9 -13.183 -9.229 -0.247
81 HG22 ILE 9 2HG2 ILE 9 -14.924 -8.869 -0.167
82 HG23 ILE 9 3HG2 ILE 9 -14.370 -10.554 -0.310
83 HD11 ILE 9 1HD1 ILE 9 -17.658 -9.785 -2.213
84 HD12 ILE 9 2HD1 ILE 9 -16.584 -9.953 -0.803
85 HD13 ILE 9 3HD1 ILE 9 -16.714 -8.387 -1.641
86 H ALA 10 H ALA 10 -13.373 -7.300 -0.136
87 HA ALA 10 HA ALA 10 -15.631 -5.434 -0.045
88 HB1 ALA 10 1HB ALA 10 -14.538 -5.763 2.527
89 HB2 ALA 10 2HB ALA 10 -16.018 -6.518 1.888
90 HB3 ALA 10 3HB ALA 10 -14.465 -7.379 1.785
91 H TYR 11 H TYR 11 -15.294 -3.252 0.194
92 HA TYR 11 HA TYR 11 -12.612 -2.371 0.939
93 HB2 TYR 11 1HB TYR 11 -12.892 -0.714 -1.053
94 HB3 TYR 11 2HB TYR 11 -12.587 -2.378 -1.511
95 HD1 TYR 11 1HD TYR 11 -14.887 0.398 -1.718
96 HD2 TYR 11 2HD TYR 11 -14.543 -3.835 -2.231
97 HE1 TYR 11 1HE TYR 11 -17.004 0.389 -3.126
98 HE2 TYR 11 2HE TYR 11 -16.660 -3.829 -3.637
99 HH TYR 11 HH TYR 11 -17.863 -1.289 -5.071
100 H LYS 12 H LYS 12 -12.544 -0.116 1.656
101 HA LYS 12 HA LYS 12 -15.215 0.908 2.322
102 HB2 LYS 12 1HB LYS 12 -13.006 0.150 4.084
103 HB3 LYS 12 2HB LYS 12 -13.517 1.807 4.335
104 HG2 LYS 12 1HG LYS 12 -15.535 -0.466 4.149
105 HG3 LYS 12 2HG LYS 12 -14.759 -0.054 5.665
106 HD2 LYS 12 1HD LYS 12 -16.223 2.016 3.970
107 HD3 LYS 12 2HD LYS 12 -17.037 1.063 5.194
108 HE2 LYS 12 1HE LYS 12 -14.544 2.255 6.219
109 HE3 LYS 12 2HE LYS 12 -15.646 3.475 5.611
110 HZ1 LYS 12 1HZ LYS 12 -16.272 3.097 7.846
111 HZ2 LYS 12 2HZ LYS 12 -17.404 2.289 6.998
112 HZ3 LYS 12 3HZ LYS 12 -16.157 1.474 7.675
113 H THR 13 H THR 13 -14.974 3.360 3.018
114 HA THR 13 HA THR 13 -13.432 4.602 0.860
115 HB THR 13 HB THR 13 -15.972 5.157 2.371
116 HG1 THR 13 1HG THR 13 -16.498 5.647 0.145
117 HG21 THR 13 1HG2 THR 13 -15.667 7.543 1.142
118 HG22 THR 13 2HG2 THR 13 -15.185 7.315 2.841
119 HG23 THR 13 3HG2 THR 13 -13.959 7.254 1.552
120 H CYS 14 H CYS 14 -11.676 5.835 1.186
121 HA CYS 14 HA CYS 14 -11.088 6.473 3.985
122 HB2 CYS 14 1HB CYS 14 -9.222 5.633 1.754
123 HB3 CYS 14 2HB CYS 14 -8.650 6.427 3.208
124 HA PRO 15 HA PRO 15 -11.515 10.343 1.673
125 HB2 PRO 15 1HB PRO 15 -13.024 11.683 3.516
126 HB3 PRO 15 2HB PRO 15 -13.718 10.776 2.186
127 HG2 PRO 15 1HG PRO 15 -13.586 10.056 5.050
128 HG3 PRO 15 2HG PRO 15 -14.620 9.396 3.798
129 HD2 PRO 15 1HD PRO 15 -12.280 8.169 4.914
130 HD3 PRO 15 2HD PRO 15 -13.247 7.564 3.583
131 H GLU 16 H GLU 16 -11.046 10.136 5.164
132 HA GLU 16 HA GLU 16 -9.822 12.419 5.654
133 HB2 GLU 16 1HB GLU 16 -9.137 9.620 6.606
134 HB3 GLU 16 2HB GLU 16 -8.276 11.013 7.230
135 HG2 GLU 16 1HG GLU 16 -11.297 11.097 7.195
136 HG3 GLU 16 2HG GLU 16 -10.508 10.112 8.412
137 HE2 GLU 16 HE GLU 16 -11.878 12.179 9.184
138 H GLY 17 H GLY 17 -8.667 13.359 3.914
139 HA2 GLY 17 1HA GLY 17 -7.054 13.416 2.256
140 HA3 GLY 17 2HA GLY 17 -6.087 13.473 3.716
141 H LYS 18 H LYS 18 -7.927 10.769 2.126
142 HA LYS 18 HA LYS 18 -5.374 9.407 1.723
143 HB2 LYS 18 1HB LYS 18 -7.696 8.442 3.372
144 HB3 LYS 18 2HB LYS 18 -6.711 7.285 2.499
145 HG2 LYS 18 1HG LYS 18 -4.831 7.676 3.805
146 HG3 LYS 18 2HG LYS 18 -5.215 9.367 4.053
147 HD2 LYS 18 1HD LYS 18 -6.086 8.867 6.082
148 HD3 LYS 18 2HD LYS 18 -7.315 7.886 5.309
149 HE2 LYS 18 1HE LYS 18 -6.348 6.188 6.519
150 HE3 LYS 18 2HE LYS 18 -5.224 6.138 5.176
151 HZ1 LYS 18 1HZ LYS 18 -3.697 6.500 6.792
152 HZ2 LYS 18 2HZ LYS 18 -4.147 8.064 6.731
153 HZ3 LYS 18 3HZ LYS 18 -4.822 7.065 7.838
154 H ASN 19 H ASN 19 -5.887 10.346 -0.469
155 HA ASN 19 HA ASN 19 -8.104 9.041 -1.760
156 HB2 ASN 19 1HB ASN 19 -7.172 11.545 -2.071
157 HB3 ASN 19 2HB ASN 19 -6.086 10.778 -3.213
158 HD21 ASN 19 1HD2 ASN 19 -6.931 11.683 -5.019
159 HD22 ASN 19 2HD2 ASN 19 -8.498 11.323 -5.663
160 H LEU 20 H LEU 20 -4.940 8.290 -0.936
161 HA LEU 20 HA LEU 20 -4.512 6.756 -3.405
162 HB2 LEU 20 1HB LEU 20 -2.581 8.065 -1.505
163 HB3 LEU 20 2HB LEU 20 -2.086 6.762 -2.567
164 HG LEU 20 HG LEU 20 -1.770 9.276 -3.257
165 HD11 LEU 20 1HD1 LEU 20 -1.167 7.296 -4.603
166 HD12 LEU 20 2HD1 LEU 20 -2.830 7.239 -5.235
167 HD13 LEU 20 3HD1 LEU 20 -1.789 8.638 -5.593
168 HD21 LEU 20 1HD2 LEU 20 -4.225 9.766 -2.902
169 HD22 LEU 20 2HD2 LEU 20 -3.543 10.288 -4.461
170 HD23 LEU 20 3HD2 LEU 20 -4.543 8.818 -4.374
171 H CYS 21 H CYS 21 -4.202 4.543 -3.250
172 HA CYS 21 HA CYS 21 -4.492 3.483 -0.533
173 HB2 CYS 21 1HB CYS 21 -5.348 2.083 -3.080
174 HB3 CYS 21 2HB CYS 21 -5.697 1.612 -1.429
175 H TYR 22 H TYR 22 -3.207 1.550 -0.041
176 HA TYR 22 HA TYR 22 -1.124 0.933 -2.001
177 HB2 TYR 22 1HB TYR 22 0.567 1.314 -0.281
178 HB3 TYR 22 2HB TYR 22 -0.486 2.712 -0.193
179 HD1 TYR 22 1HD TYR 22 -1.497 3.307 1.842
180 HD2 TYR 22 2HD TYR 22 0.078 -0.642 1.363
181 HE1 TYR 22 1HE TYR 22 -1.901 2.838 4.308
182 HE2 TYR 22 2HE TYR 22 -0.331 -1.097 3.831
183 HH TYR 22 HH TYR 22 -1.947 -0.186 5.583
184 H LYS 23 H LYS 23 -0.030 -1.141 -1.573
185 HA LYS 23 HA LYS 23 -1.401 -2.837 0.358
186 HB2 LYS 23 1HB LYS 23 -1.446 -4.619 -1.544
187 HB3 LYS 23 2HB LYS 23 -2.736 -3.441 -1.418
188 HG2 LYS 23 1HG LYS 23 -1.274 -1.980 -3.042
189 HG3 LYS 23 2HG LYS 23 -0.404 -3.466 -3.365
190 HD2 LYS 23 1HD LYS 23 -2.181 -4.438 -4.491
191 HD3 LYS 23 2HD LYS 23 -3.388 -3.675 -3.474
192 HE2 LYS 23 1HE LYS 23 -3.492 -1.761 -4.781
193 HE3 LYS 23 2HE LYS 23 -1.790 -1.818 -5.198
194 HZ1 LYS 23 1HZ LYS 23 -2.669 -2.526 -7.171
195 HZ2 LYS 23 2HZ LYS 23 -2.640 -3.993 -6.465
196 HZ3 LYS 23 3HZ LYS 23 -4.021 -3.115 -6.461
197 H MET 24 H MET 24 0.047 -4.017 1.501
198 HA MET 24 HA MET 24 2.762 -3.988 0.489
199 HB2 MET 24 1HB MET 24 1.422 -4.285 3.193
200 HB3 MET 24 2HB MET 24 3.011 -4.996 2.996
201 HG2 MET 24 1HG MET 24 4.031 -2.959 3.084
202 HG3 MET 24 2HG MET 24 2.961 -2.294 1.866
203 HE1 MET 24 1HE MET 24 3.045 -3.290 5.793
204 HE2 MET 24 2HE MET 24 4.209 -2.090 5.183
205 HE3 MET 24 3HE MET 24 2.907 -1.585 6.286
206 H PHE 25 H PHE 25 3.685 -5.796 -0.382
207 HA PHE 25 HA PHE 25 2.281 -8.327 0.090
208 HB2 PHE 25 1HB PHE 25 4.167 -7.321 -2.125
209 HB3 PHE 25 2HB PHE 25 3.464 -8.927 -2.101
210 HD1 PHE 25 1HD PHE 25 2.946 -5.468 -2.951
211 HD2 PHE 25 2HD PHE 25 0.972 -9.172 -2.325
212 HE1 PHE 25 1HE PHE 25 0.940 -4.608 -4.192
213 HE2 PHE 25 2HE PHE 25 -1.034 -8.312 -3.566
214 HZ PHE 25 HZ PHE 25 -1.026 -6.041 -4.484
215 H MET 26 H MET 26 3.457 -10.196 0.674
216 HA MET 26 HA MET 26 5.946 -9.591 1.951
217 HB2 MET 26 1HB MET 26 3.808 -11.302 2.475
218 HB3 MET 26 2HB MET 26 4.983 -12.422 1.814
219 HG2 MET 26 1HG MET 26 6.692 -11.501 3.466
220 HG3 MET 26 2HG MET 26 5.415 -10.540 4.183
221 HE1 MET 26 1HE MET 26 3.688 -12.447 6.482
222 HE2 MET 26 2HE MET 26 5.406 -12.203 6.879
223 HE3 MET 26 3HE MET 26 4.527 -10.975 5.938
224 H MET 27 H MET 27 8.000 -10.313 1.348
225 HA MET 27 HA MET 27 9.587 -11.099 0.088
226 HB2 MET 27 1HB MET 27 7.370 -13.089 -0.388
227 HB3 MET 27 2HB MET 27 8.716 -13.156 -1.508
228 HG2 MET 27 1HG MET 27 10.168 -13.059 0.752
229 HG3 MET 27 2HG MET 27 8.695 -13.681 1.468
230 HE1 MET 27 1HE MET 27 9.951 -15.689 2.240
231 HE2 MET 27 2HE MET 27 10.643 -16.968 1.214
232 HE3 MET 27 3HE MET 27 11.499 -15.419 1.404
233 H SER 28 H SER 28 6.786 -11.712 -2.150
234 HA SER 28 HA SER 28 7.987 -9.720 -3.907
235 HB2 SER 28 1HB SER 28 8.196 -12.264 -4.548
236 HB3 SER 28 2HB SER 28 6.498 -12.140 -4.963
237 HG SER 28 HG SER 28 7.726 -11.698 -6.833
238 H ASP 29 H ASP 29 6.326 -8.840 -5.554
239 HA ASP 29 HA ASP 29 3.926 -8.299 -4.078
240 HB2 ASP 29 1HB ASP 29 3.621 -6.906 -6.402
241 HB3 ASP 29 2HB ASP 29 4.517 -6.296 -5.026
242 HD2 ASP 29 HD ASP 29 5.346 -5.115 -6.754
243 H LEU 30 H LEU 30 5.093 -9.896 -7.079
244 HA LEU 30 HA LEU 30 2.839 -10.223 -8.525
245 HB2 LEU 30 1HB LEU 30 5.233 -11.943 -8.030
246 HB3 LEU 30 2HB LEU 30 3.908 -12.588 -8.977
247 HG LEU 30 HG LEU 30 4.987 -9.898 -9.721
248 HD11 LEU 30 1HD1 LEU 30 6.993 -11.288 -9.317
249 HD12 LEU 30 2HD1 LEU 30 6.375 -12.480 -10.484
250 HD13 LEU 30 3HD1 LEU 30 6.789 -10.837 -11.027
251 HD21 LEU 30 1HD2 LEU 30 3.603 -12.185 -11.078
252 HD22 LEU 30 2HD2 LEU 30 3.218 -10.447 -11.087
253 HD23 LEU 30 3HD2 LEU 30 4.592 -11.059 -12.038
254 H THR 31 H THR 31 3.759 -11.919 -5.500
255 HA THR 31 HA THR 31 1.532 -13.711 -5.627
256 HB THR 31 HB THR 31 2.349 -14.239 -3.285
257 HG1 THR 31 1HG THR 31 3.177 -12.257 -2.575
258 HG21 THR 31 1HG2 THR 31 4.969 -13.981 -4.608
259 HG22 THR 31 2HG2 THR 31 4.093 -15.457 -4.134
260 HG23 THR 31 3HG2 THR 31 3.747 -14.679 -5.699
261 H ILE 32 H ILE 32 0.027 -13.800 -3.586
262 HA ILE 32 HA ILE 32 -1.590 -11.512 -3.766
263 HB ILE 32 HB ILE 32 -1.680 -14.153 -2.617
264 HG12 ILE 32 1HG1 ILE 32 -4.180 -13.675 -2.905
265 HG13 ILE 32 2HG1 ILE 32 -3.710 -12.114 -3.548
266 HG21 ILE 32 1HG2 ILE 32 -1.627 -13.303 -0.438
267 HG22 ILE 32 2HG2 ILE 32 -2.594 -11.872 -0.870
268 HG23 ILE 32 3HG2 ILE 32 -3.362 -13.476 -0.800
269 HD11 ILE 32 1HD1 ILE 32 -2.058 -13.624 -5.044
270 HD12 ILE 32 2HD1 ILE 32 -3.301 -14.855 -4.711
271 HD13 ILE 32 3HD1 ILE 32 -3.748 -13.334 -5.520
272 HA PRO 33 HA PRO 33 0.072 -9.017 -0.663
273 HB2 PRO 33 1HB PRO 33 -2.089 -7.496 0.033
274 HB3 PRO 33 2HB PRO 33 -1.119 -7.187 -1.393
275 HG2 PRO 33 1HG PRO 33 -3.811 -8.391 -1.210
276 HG3 PRO 33 2HG PRO 33 -3.014 -7.692 -2.605
277 HD2 PRO 33 1HD PRO 33 -3.355 -10.485 -2.045
278 HD3 PRO 33 2HD PRO 33 -2.458 -9.784 -3.378
279 H VAL 34 H VAL 34 0.352 -8.611 1.577
280 HA VAL 34 HA VAL 34 -1.053 -10.676 3.100
281 HB VAL 34 HB VAL 34 0.787 -10.201 4.761
282 HG11 VAL 34 1HG1 VAL 34 1.876 -11.099 2.087
283 HG12 VAL 34 2HG1 VAL 34 2.294 -11.682 3.716
284 HG13 VAL 34 3HG1 VAL 34 0.709 -12.075 3.009
285 HG21 VAL 34 1HG2 VAL 34 2.757 -9.013 4.060
286 HG22 VAL 34 2HG2 VAL 34 2.088 -8.759 2.429
287 HG23 VAL 34 3HG2 VAL 34 1.355 -7.940 3.830
288 H LYS 35 H LYS 35 -0.269 -7.166 2.978
289 HA LYS 35 HA LYS 35 -2.624 -6.676 4.585
290 HB2 LYS 35 1HB LYS 35 -1.535 -5.408 6.285
291 HB3 LYS 35 2HB LYS 35 -0.761 -6.979 6.224
292 HG2 LYS 35 1HG LYS 35 1.069 -6.013 4.804
293 HG3 LYS 35 2HG LYS 35 0.298 -4.442 4.888
294 HD2 LYS 35 1HD LYS 35 1.448 -4.045 6.800
295 HD3 LYS 35 2HD LYS 35 0.478 -5.276 7.585
296 HE2 LYS 35 1HE LYS 35 2.779 -6.254 5.920
297 HE3 LYS 35 2HE LYS 35 3.192 -5.420 7.406
298 HZ1 LYS 35 1HZ LYS 35 1.082 -7.292 7.842
299 HZ2 LYS 35 2HZ LYS 35 2.379 -8.041 7.202
300 HZ3 LYS 35 3HZ LYS 35 2.544 -7.146 8.563
301 H ARG 36 H ARG 36 -3.032 -4.206 4.675
302 HA ARG 36 HA ARG 36 -1.685 -2.671 2.740
303 HB2 ARG 36 1HB ARG 36 -3.737 -2.307 1.267
304 HB3 ARG 36 2HB ARG 36 -3.010 -3.894 1.114
305 HG2 ARG 36 1HG ARG 36 -5.367 -4.289 1.297
306 HG3 ARG 36 2HG ARG 36 -4.701 -4.725 2.858
307 HD2 ARG 36 1HD ARG 36 -5.501 -1.859 2.604
308 HD3 ARG 36 2HD ARG 36 -6.826 -3.001 2.502
309 HE ARG 36 HE ARG 36 -5.212 -3.801 4.697
310 HH11 ARG 36 1HH ARG 36 -6.773 -1.988 7.214
311 HH12 ARG 36 2HH1 ARG 36 -5.752 -3.282 6.818
312 HH21 ARG 36 1HH2 ARG 36 -7.674 -0.667 5.429
313 HH22 ARG 36 2HH2 ARG 36 -7.264 -1.059 3.794
314 H GLY 37 H GLY 37 -3.438 -0.608 2.262
315 HA2 GLY 37 1HA GLY 37 -5.270 0.072 4.239
316 HA3 GLY 37 2HA GLY 37 -3.702 0.622 4.799
317 H CYS 38 H CYS 38 -5.341 2.661 4.437
318 HA CYS 38 HA CYS 38 -5.112 3.579 1.694
319 HB2 CYS 38 1HB CYS 38 -6.452 5.066 3.958
320 HB3 CYS 38 2HB CYS 38 -6.710 5.243 2.233
321 H ILE 39 H ILE 39 -4.278 5.876 1.360
322 HA ILE 39 HA ILE 39 -2.739 7.083 3.406
323 HB ILE 39 HB ILE 39 -1.356 5.063 2.763
324 HG12 ILE 39 1HG1 ILE 39 0.230 7.535 2.208
325 HG13 ILE 39 2HG1 ILE 39 -0.641 7.446 3.726
326 HG21 ILE 39 1HG2 ILE 39 -1.420 4.777 0.495
327 HG22 ILE 39 2HG2 ILE 39 -1.395 6.524 0.156
328 HG23 ILE 39 3HG2 ILE 39 0.099 5.692 0.650
329 HD11 ILE 39 1HD1 ILE 39 1.549 6.521 4.131
330 HD12 ILE 39 2HD1 ILE 39 0.421 5.144 4.091
331 HD13 ILE 39 3HD1 ILE 39 1.452 5.492 2.682
332 H ASP 40 H ASP 40 -1.195 8.831 2.171
333 HA ASP 40 HA ASP 40 -2.953 9.929 0.122
334 HB2 ASP 40 1HB ASP 40 -2.058 12.160 0.832
335 HB3 ASP 40 2HB ASP 40 -2.908 11.331 2.120
336 HD2 ASP 40 HD ASP 40 0.863 12.373 2.473
337 H VAL 41 H VAL 41 0.396 9.269 1.244
338 HA VAL 41 HA VAL 41 1.325 9.792 -1.492
339 HB VAL 41 HB VAL 41 1.966 11.581 0.122
340 HG11 VAL 41 1HG1 VAL 41 3.832 10.998 1.731
341 HG12 VAL 41 2HG1 VAL 41 2.218 10.392 2.176
342 HG13 VAL 41 3HG1 VAL 41 3.421 9.287 1.468
343 HG21 VAL 41 1HG2 VAL 41 3.774 9.984 -1.566
344 HG22 VAL 41 2HG2 VAL 41 3.496 11.742 -1.521
345 HG23 VAL 41 3HG2 VAL 41 4.609 10.987 -0.355
346 H CYS 42 H CYS 42 2.775 8.268 -2.343
347 HA CYS 42 HA CYS 42 2.574 5.699 -1.262
348 HB2 CYS 42 1HB CYS 42 2.959 6.397 -3.706
349 HB3 CYS 42 2HB CYS 42 4.652 6.565 -3.284
350 HA PRO 43 HA PRO 43 5.859 6.226 1.625
351 HB2 PRO 43 1HB PRO 43 5.590 3.827 2.905
352 HB3 PRO 43 2HB PRO 43 4.656 5.248 3.327
353 HG2 PRO 43 1HG PRO 43 3.796 2.838 1.846
354 HG3 PRO 43 2HG PRO 43 2.809 4.051 2.637
355 HD2 PRO 43 1HD PRO 43 3.282 3.796 -0.180
356 HD3 PRO 43 2HD PRO 43 2.390 5.074 0.621
357 H LYS 44 H LYS 44 7.881 5.043 2.382
358 HA LYS 44 HA LYS 44 9.166 4.199 -0.021
359 HB2 LYS 44 1HB LYS 44 10.108 4.404 2.853
360 HB3 LYS 44 2HB LYS 44 11.141 3.945 1.513
361 HG2 LYS 44 1HG LYS 44 11.526 6.174 1.245
362 HG3 LYS 44 2HG LYS 44 9.930 6.242 0.524
363 HD2 LYS 44 1HD LYS 44 10.002 7.934 2.254
364 HD3 LYS 44 2HD LYS 44 8.961 6.649 2.835
365 HE2 LYS 44 1HE LYS 44 10.421 6.034 4.513
366 HE3 LYS 44 2HE LYS 44 11.842 6.305 3.524
367 HZ1 LYS 44 1HZ LYS 44 10.276 8.635 4.409
368 HZ2 LYS 44 2HZ LYS 44 11.302 7.936 5.461
369 HZ3 LYS 44 3HZ LYS 44 11.863 8.501 4.031
370 H ASN 45 H ASN 45 9.587 2.152 -0.743
371 HA ASN 45 HA ASN 45 8.163 0.067 0.503
372 HB2 ASN 45 1HB ASN 45 8.557 0.262 -1.991
373 HB3 ASN 45 2HB ASN 45 10.262 -0.048 -1.728
374 HD21 ASN 45 1HD2 ASN 45 10.073 -1.863 -3.085
375 HD22 ASN 45 2HD2 ASN 45 9.423 -3.367 -2.526
376 H SER 46 H SER 46 9.393 -2.152 0.904
377 HA SER 46 HA SER 46 11.924 -1.525 2.213
378 HB2 SER 46 1HB SER 46 11.198 -3.649 3.641
379 HB3 SER 46 2HB SER 46 10.606 -2.052 4.046
380 HG SER 46 HG SER 46 8.882 -3.623 3.977
381 H LEU 47 H LEU 47 13.116 -3.848 2.663
382 HA LEU 47 HA LEU 47 13.281 -5.052 0.012
383 HB2 LEU 47 1HB LEU 47 15.230 -5.795 2.092
384 HB3 LEU 47 2HB LEU 47 15.465 -5.404 0.401
385 HG LEU 47 HG LEU 47 16.575 -3.688 1.484
386 HD11 LEU 47 1HD1 LEU 47 14.242 -3.046 0.093
387 HD12 LEU 47 2HD1 LEU 47 14.220 -1.991 1.527
388 HD13 LEU 47 3HD1 LEU 47 15.623 -1.975 0.433
389 HD21 LEU 47 1HD2 LEU 47 15.056 -4.397 3.697
390 HD22 LEU 47 2HD2 LEU 47 16.307 -3.133 3.622
391 HD23 LEU 47 3HD2 LEU 47 14.595 -2.706 3.382
392 H LEU 48 H LEU 48 11.494 -5.495 2.750
393 HA LEU 48 HA LEU 48 11.701 -8.419 2.578
394 HB2 LEU 48 1HB LEU 48 11.244 -6.523 4.799
395 HB3 LEU 48 2HB LEU 48 10.245 -7.963 4.813
396 HG LEU 48 HG LEU 48 12.295 -8.190 6.165
397 HD11 LEU 48 1HD1 LEU 48 11.698 -10.002 3.869
398 HD12 LEU 48 2HD1 LEU 48 13.150 -10.322 4.848
399 HD13 LEU 48 3HD1 LEU 48 11.547 -10.276 5.621
400 HD21 LEU 48 1HD2 LEU 48 14.467 -8.542 4.869
401 HD22 LEU 48 2HD2 LEU 48 13.667 -7.700 3.522
402 HD23 LEU 48 3HD2 LEU 48 13.903 -6.868 5.077
403 H VAL 49 H VAL 49 9.413 -5.624 2.808
404 HA VAL 49 HA VAL 49 7.425 -7.361 1.515
405 HB VAL 49 HB VAL 49 6.752 -4.941 3.160
406 HG11 VAL 49 1HG1 VAL 49 5.024 -5.991 1.719
407 HG12 VAL 49 2HG1 VAL 49 5.237 -7.516 2.610
408 HG13 VAL 49 3HG1 VAL 49 4.620 -6.073 3.450
409 HG21 VAL 49 1HG2 VAL 49 7.869 -7.478 4.141
410 HG22 VAL 49 2HG2 VAL 49 7.669 -5.914 4.966
411 HG23 VAL 49 3HG2 VAL 49 6.304 -7.052 4.873
412 H LYS 50 H LYS 50 6.459 -6.624 -0.366
413 HA LYS 50 HA LYS 50 7.745 -4.326 -1.561
414 HB2 LYS 50 1HB LYS 50 7.344 -6.615 -2.674
415 HB3 LYS 50 2HB LYS 50 5.673 -6.116 -2.837
416 HG2 LYS 50 1HG LYS 50 6.376 -5.172 -4.800
417 HG3 LYS 50 2HG LYS 50 6.932 -3.865 -3.776
418 HD2 LYS 50 1HD LYS 50 9.177 -4.993 -3.592
419 HD3 LYS 50 2HD LYS 50 8.613 -6.255 -4.669
420 HE2 LYS 50 1HE LYS 50 8.104 -4.410 -6.389
421 HE3 LYS 50 2HE LYS 50 8.945 -3.295 -5.330
422 HZ1 LYS 50 1HZ LYS 50 10.192 -4.722 -7.202
423 HZ2 LYS 50 2HZ LYS 50 10.949 -4.226 -5.849
424 HZ3 LYS 50 3HZ LYS 50 10.329 -5.737 -5.925
425 H TYR 51 H TYR 51 6.772 -2.370 -2.040
426 HA TYR 51 HA TYR 51 4.086 -2.041 -0.894
427 HB2 TYR 51 1HB TYR 51 6.613 -0.372 -1.291
428 HB3 TYR 51 2HB TYR 51 5.082 0.472 -1.170
429 HD1 TYR 51 1HD TYR 51 6.018 -2.614 0.697
430 HD2 TYR 51 2HD TYR 51 5.388 1.614 0.886
431 HE1 TYR 51 1HE TYR 51 6.165 -2.698 3.234
432 HE2 TYR 51 2HE TYR 51 5.536 1.515 3.422
433 HH TYR 51 HH TYR 51 6.812 -0.274 5.081
434 H VAL 52 H VAL 52 2.405 -1.489 -2.205
435 HA VAL 52 HA VAL 52 3.078 -0.386 -4.835
436 HB VAL 52 HB VAL 52 0.905 -2.429 -4.461
437 HG11 VAL 52 1HG1 VAL 52 1.860 -0.819 -6.621
438 HG12 VAL 52 2HG1 VAL 52 2.204 -2.524 -7.003
439 HG13 VAL 52 3HG1 VAL 52 0.542 -2.015 -6.620
440 HG21 VAL 52 1HG2 VAL 52 2.554 -4.112 -5.390
441 HG22 VAL 52 2HG2 VAL 52 3.842 -2.951 -4.993
442 HG23 VAL 52 3HG2 VAL 52 2.822 -3.625 -3.699
443 H CYS 53 H CYS 53 2.132 1.570 -5.025
444 HA CYS 53 HA CYS 53 -0.234 2.048 -3.383
445 HB2 CYS 53 1HB CYS 53 1.524 4.103 -4.757
446 HB3 CYS 53 2HB CYS 53 0.255 4.411 -3.590
447 H CYS 54 H CYS 54 -1.881 3.609 -4.516
448 HA CYS 54 HA CYS 54 -1.900 3.512 -7.365
449 HB2 CYS 54 1HB CYS 54 -4.245 2.343 -7.303
450 HB3 CYS 54 2HB CYS 54 -2.780 1.382 -7.350
451 H ASN 55 H ASN 55 -4.200 4.486 -8.084
452 HA ASN 55 HA ASN 55 -5.180 6.229 -5.986
453 HB2 ASN 55 1HB ASN 55 -5.050 8.206 -7.444
454 HB3 ASN 55 2HB ASN 55 -3.453 7.496 -7.326
455 HD21 ASN 55 1HD2 ASN 55 -5.316 8.988 -9.387
456 HD22 ASN 55 2HD2 ASN 55 -4.951 8.211 -10.892
457 H THR 56 H THR 56 -6.129 3.757 -7.463
458 HA THR 56 HA THR 56 -8.531 4.935 -8.694
459 HB THR 56 HB THR 56 -8.415 2.807 -10.181
460 HG1 THR 56 1HG THR 56 -6.376 1.757 -10.071
461 HG21 THR 56 1HG2 THR 56 -7.109 3.883 -11.810
462 HG22 THR 56 2HG2 THR 56 -7.463 5.264 -10.745
463 HG23 THR 56 3HG2 THR 56 -5.899 4.424 -10.621
464 H ASP 57 H ASP 57 -10.502 4.034 -8.167
465 HA ASP 57 HA ASP 57 -10.644 2.846 -5.689
466 HB2 ASP 57 1HB ASP 57 -12.722 2.677 -7.920
467 HB3 ASP 57 2HB ASP 57 -13.035 2.524 -6.202
468 HD2 ASP 57 HD ASP 57 -12.367 5.757 -5.453
469 H ARG 58 H ARG 58 -10.638 0.657 -5.043
470 HA ARG 58 HA ARG 58 -10.607 -1.507 -5.141
471 HB2 ARG 58 1HB ARG 58 -11.415 -1.544 -8.074
472 HB3 ARG 58 2HB ARG 58 -11.773 -2.735 -6.839
473 HG2 ARG 58 1HG ARG 58 -13.115 -0.846 -5.647
474 HG3 ARG 58 2HG ARG 58 -12.978 0.043 -7.152
475 HD2 ARG 58 1HD ARG 58 -13.960 -2.816 -7.260
476 HD3 ARG 58 2HD ARG 58 -15.062 -1.579 -6.689
477 HE ARG 58 HE ARG 58 -13.686 -0.890 -9.196
478 HH11 ARG 58 1HH ARG 58 -16.559 -1.194 -11.124
479 HH12 ARG 58 2HH1 ARG 58 -14.951 -0.663 -11.042
480 HH21 ARG 58 1HH2 ARG 58 -17.511 -2.229 -9.184
481 HH22 ARG 58 2HH2 ARG 58 -16.546 -2.409 -7.758
482 H CYS 59 H CYS 59 -8.335 0.246 -5.989
483 HA CYS 59 HA CYS 59 -7.017 -1.070 -8.133
484 HB2 CYS 59 1HB CYS 59 -5.121 0.370 -7.579
485 HB3 CYS 59 2HB CYS 59 -6.607 1.296 -7.652
486 H ASN 60 H ASN 60 -6.855 -1.061 -4.517
487 HA ASN 60 HA ASN 60 -4.907 -3.189 -4.651
488 HB2 ASN 60 1HB ASN 60 -4.722 -2.851 -2.189
489 HB3 ASN 60 2HB ASN 60 -4.532 -1.327 -3.033
490 HD21 ASN 60 1HD2 ASN 60 -5.249 -1.583 -0.344
491 HD22 ASN 60 2HD2 ASN 60 -6.848 -0.965 -0.103
492 H1 HOH 101 1H HOH 61 2.959 -12.436 -0.811
493 H2 HOH 101 2H HOH 61 1.777 -12.306 0.125
Start of MODEL 12
1 H1 LEU 1 H LEU 1 -9.986 8.868 -3.193
2 HA LEU 1 HA LEU 1 -11.794 7.299 -4.240
3 HB2 LEU 1 1HB LEU 1 -8.914 7.307 -4.138
4 HB3 LEU 1 2HB LEU 1 -9.504 5.661 -4.254
5 HG LEU 1 HG LEU 1 -11.026 6.818 -6.173
6 HD11 LEU 1 1HD1 LEU 1 -10.328 8.832 -6.779
7 HD12 LEU 1 2HD1 LEU 1 -9.018 8.775 -5.575
8 HD13 LEU 1 3HD1 LEU 1 -8.748 8.137 -7.216
9 HD21 LEU 1 1HD2 LEU 1 -9.717 5.671 -7.726
10 HD22 LEU 1 2HD2 LEU 1 -8.213 5.954 -6.817
11 HD23 LEU 1 3HD2 LEU 1 -9.422 4.803 -6.200
12 H LYS 2 H LYS 2 -11.778 4.693 -4.211
13 HA LYS 2 HA LYS 2 -12.316 4.002 -1.411
14 HB2 LYS 2 1HB LYS 2 -13.518 2.805 -3.923
15 HB3 LYS 2 2HB LYS 2 -13.942 2.401 -2.273
16 HG2 LYS 2 1HG LYS 2 -15.459 4.083 -2.283
17 HG3 LYS 2 2HG LYS 2 -14.145 5.234 -2.422
18 HD2 LYS 2 1HD LYS 2 -14.728 5.724 -4.558
19 HD3 LYS 2 2HD LYS 2 -14.593 4.039 -5.024
20 HE2 LYS 2 1HE LYS 2 -16.970 3.938 -3.676
21 HE3 LYS 2 2HE LYS 2 -17.024 5.603 -4.224
22 HZ1 LYS 2 1HZ LYS 2 -17.419 3.262 -5.759
23 HZ2 LYS 2 2HZ LYS 2 -17.617 4.810 -6.224
24 HZ3 LYS 2 3HZ LYS 2 -16.144 4.107 -6.342
25 H CYS 3 H CYS 3 -10.998 2.551 -0.451
26 HA CYS 3 HA CYS 3 -9.304 0.976 -2.245
27 HB2 CYS 3 1HB CYS 3 -8.693 1.543 0.661
28 HB3 CYS 3 2HB CYS 3 -7.606 0.977 -0.592
29 H ASN 4 H ASN 4 -8.875 -1.294 -1.531
30 HA ASN 4 HA ASN 4 -11.233 -2.330 -0.205
31 HB2 ASN 4 1HB ASN 4 -9.077 -3.966 -1.615
32 HB3 ASN 4 2HB ASN 4 -10.736 -4.434 -1.295
33 HD21 ASN 4 1HD2 ASN 4 -9.884 -4.760 -3.768
34 HD22 ASN 4 2HD2 ASN 4 -10.535 -3.591 -4.868
35 H LYS 5 H LYS 5 -10.601 -4.568 1.052
36 HA LYS 5 HA LYS 5 -8.531 -3.788 2.941
37 HB2 LYS 5 1HB LYS 5 -10.548 -6.041 3.142
38 HB3 LYS 5 2HB LYS 5 -9.544 -5.400 4.427
39 HG2 LYS 5 1HG LYS 5 -11.050 -3.761 4.863
40 HG3 LYS 5 2HG LYS 5 -10.992 -3.204 3.203
41 HD2 LYS 5 1HD LYS 5 -12.558 -5.231 2.668
42 HD3 LYS 5 2HD LYS 5 -12.815 -5.324 4.400
43 HE2 LYS 5 1HE LYS 5 -13.074 -2.563 3.390
44 HE3 LYS 5 2HE LYS 5 -14.195 -3.657 2.606
45 HZ1 LYS 5 1HZ LYS 5 -13.930 -3.208 5.526
46 HZ2 LYS 5 2HZ LYS 5 -15.227 -2.875 4.598
47 HZ3 LYS 5 3HZ LYS 5 -14.788 -4.430 4.856
48 H LEU 6 H LEU 6 -8.135 -6.605 3.825
49 HA LEU 6 HA LEU 6 -5.852 -7.169 2.388
50 HB2 LEU 6 1HB LEU 6 -6.318 -7.960 4.641
51 HB3 LEU 6 2HB LEU 6 -7.599 -8.995 4.042
52 HG LEU 6 HG LEU 6 -5.445 -9.834 2.543
53 HD11 LEU 6 1HD1 LEU 6 -3.701 -8.735 3.575
54 HD12 LEU 6 2HD1 LEU 6 -4.456 -8.812 5.185
55 HD13 LEU 6 3HD1 LEU 6 -3.734 -10.273 4.470
56 HD21 LEU 6 1HD2 LEU 6 -7.029 -10.816 4.807
57 HD22 LEU 6 2HD2 LEU 6 -6.537 -11.630 3.303
58 HD23 LEU 6 3HD2 LEU 6 -5.416 -11.559 4.683
59 H VAL 7 H VAL 7 -9.241 -8.251 1.909
60 HA VAL 7 HA VAL 7 -8.339 -9.694 -0.479
61 HB VAL 7 HB VAL 7 -10.872 -9.862 1.164
62 HG11 VAL 7 1HG1 VAL 7 -11.790 -11.357 -0.342
63 HG12 VAL 7 2HG1 VAL 7 -10.973 -10.222 -1.443
64 HG13 VAL 7 3HG1 VAL 7 -10.214 -11.784 -1.049
65 HG21 VAL 7 1HG2 VAL 7 -10.105 -12.049 1.820
66 HG22 VAL 7 2HG2 VAL 7 -8.706 -11.942 0.724
67 HG23 VAL 7 3HG2 VAL 7 -8.805 -10.878 2.149
68 HA PRO 8 HA PRO 8 -10.089 -6.483 -2.811
69 HB2 PRO 8 1HB PRO 8 -9.916 -7.619 -5.291
70 HB3 PRO 8 2HB PRO 8 -8.573 -6.806 -4.513
71 HG2 PRO 8 1HG PRO 8 -9.027 -9.705 -4.877
72 HG3 PRO 8 2HG PRO 8 -7.535 -8.866 -4.500
73 HD2 PRO 8 1HD PRO 8 -9.177 -10.351 -2.676
74 HD3 PRO 8 2HD PRO 8 -7.749 -9.417 -2.278
75 H ILE 9 H ILE 9 -11.955 -7.801 -1.342
76 HA ILE 9 HA ILE 9 -14.051 -8.115 -3.377
77 HB ILE 9 HB ILE 9 -13.226 -10.220 -2.157
78 HG12 ILE 9 1HG1 ILE 9 -15.262 -10.078 -3.537
79 HG13 ILE 9 2HG1 ILE 9 -15.446 -11.172 -2.180
80 HG21 ILE 9 1HG2 ILE 9 -14.702 -8.815 0.074
81 HG22 ILE 9 2HG2 ILE 9 -14.481 -10.580 0.022
82 HG23 ILE 9 3HG2 ILE 9 -13.062 -9.507 0.086
83 HD11 ILE 9 1HD1 ILE 9 -17.320 -10.016 -1.635
84 HD12 ILE 9 2HD1 ILE 9 -16.257 -8.673 -1.155
85 HD13 ILE 9 3HD1 ILE 9 -16.932 -8.728 -2.801
86 H ALA 10 H ALA 10 -13.141 -7.101 -0.043
87 HA ALA 10 HA ALA 10 -15.581 -5.465 -0.010
88 HB1 ALA 10 1HB ALA 10 -13.861 -6.659 2.192
89 HB2 ALA 10 2HB ALA 10 -15.108 -5.424 2.494
90 HB3 ALA 10 3HB ALA 10 -15.567 -7.007 1.823
91 H TYR 11 H TYR 11 -15.373 -3.274 -0.116
92 HA TYR 11 HA TYR 11 -12.913 -2.044 0.773
93 HB2 TYR 11 1HB TYR 11 -12.626 -0.974 -1.498
94 HB3 TYR 11 2HB TYR 11 -12.504 -2.719 -1.619
95 HD1 TYR 11 1HD TYR 11 -14.440 -4.045 -2.521
96 HD2 TYR 11 2HD TYR 11 -14.369 0.231 -2.616
97 HE1 TYR 11 1HE TYR 11 -16.278 -4.046 -4.277
98 HE2 TYR 11 2HE TYR 11 -16.208 0.216 -4.372
99 HH TYR 11 HH TYR 11 -17.143 -2.667 -5.976
100 H LYS 12 H LYS 12 -13.107 0.297 0.983
101 HA LYS 12 HA LYS 12 -15.787 1.347 0.546
102 HB2 LYS 12 1HB LYS 12 -15.152 0.351 3.015
103 HB3 LYS 12 2HB LYS 12 -14.661 2.023 3.192
104 HG2 LYS 12 1HG LYS 12 -16.933 2.122 3.789
105 HG3 LYS 12 2HG LYS 12 -16.985 2.596 2.103
106 HD2 LYS 12 1HD LYS 12 -18.714 0.961 2.332
107 HD3 LYS 12 2HD LYS 12 -17.400 0.116 1.540
108 HE2 LYS 12 1HE LYS 12 -16.649 -0.763 3.784
109 HE3 LYS 12 2HE LYS 12 -18.022 0.029 4.531
110 HZ1 LYS 12 1HZ LYS 12 -19.410 -1.572 3.771
111 HZ2 LYS 12 2HZ LYS 12 -18.745 -1.634 2.285
112 HZ3 LYS 12 3HZ LYS 12 -18.038 -2.430 3.527
113 H THR 13 H THR 13 -15.354 3.826 1.872
114 HA THR 13 HA THR 13 -13.316 4.931 0.083
115 HB THR 13 HB THR 13 -15.917 5.828 1.295
116 HG1 THR 13 1HG THR 13 -15.916 6.716 -0.922
117 HG21 THR 13 1HG2 THR 13 -13.463 7.549 1.062
118 HG22 THR 13 2HG2 THR 13 -14.956 8.199 0.344
119 HG23 THR 13 3HG2 THR 13 -14.910 7.778 2.073
120 H CYS 14 H CYS 14 -11.632 6.252 0.778
121 HA CYS 14 HA CYS 14 -11.207 6.136 3.676
122 HB2 CYS 14 1HB CYS 14 -9.298 5.715 1.387
123 HB3 CYS 14 2HB CYS 14 -8.702 6.339 2.912
124 HA PRO 15 HA PRO 15 -11.474 10.478 2.404
125 HB2 PRO 15 1HB PRO 15 -13.120 11.329 4.413
126 HB3 PRO 15 2HB PRO 15 -13.710 10.808 2.848
127 HG2 PRO 15 1HG PRO 15 -13.797 9.375 5.432
128 HG3 PRO 15 2HG PRO 15 -14.732 9.079 3.980
129 HD2 PRO 15 1HD PRO 15 -12.484 7.561 4.912
130 HD3 PRO 15 2HD PRO 15 -13.346 7.337 3.403
131 H GLU 16 H GLU 16 -11.200 9.298 5.712
132 HA GLU 16 HA GLU 16 -10.035 11.384 6.875
133 HB2 GLU 16 1HB GLU 16 -9.328 8.434 7.126
134 HB3 GLU 16 2HB GLU 16 -8.688 9.650 8.213
135 HG2 GLU 16 1HG GLU 16 -10.877 10.221 9.042
136 HG3 GLU 16 2HG GLU 16 -11.681 9.391 7.725
137 HE2 GLU 16 HE GLU 16 -11.152 7.070 7.656
138 H GLY 17 H GLY 17 -8.710 12.725 5.602
139 HA2 GLY 17 1HA GLY 17 -6.963 13.253 4.216
140 HA3 GLY 17 2HA GLY 17 -6.087 12.673 5.619
141 H LYS 18 H LYS 18 -8.074 10.788 3.249
142 HA LYS 18 HA LYS 18 -5.599 9.514 2.341
143 HB2 LYS 18 1HB LYS 18 -8.064 8.151 3.437
144 HB3 LYS 18 2HB LYS 18 -6.949 7.330 2.362
145 HG2 LYS 18 1HG LYS 18 -5.219 7.310 3.927
146 HG3 LYS 18 2HG LYS 18 -5.748 8.793 4.699
147 HD2 LYS 18 1HD LYS 18 -7.644 7.613 5.761
148 HD3 LYS 18 2HD LYS 18 -7.240 6.135 4.910
149 HE2 LYS 18 1HE LYS 18 -5.917 5.580 6.670
150 HE3 LYS 18 2HE LYS 18 -4.827 6.859 6.175
151 HZ1 LYS 18 1HZ LYS 18 -6.827 6.902 8.303
152 HZ2 LYS 18 2HZ LYS 18 -5.347 7.580 8.275
153 HZ3 LYS 18 3HZ LYS 18 -6.579 8.279 7.456
154 H ASN 19 H ASN 19 -5.599 8.876 0.154
155 HA ASN 19 HA ASN 19 -8.055 9.340 -1.290
156 HB2 ASN 19 1HB ASN 19 -6.364 11.428 -1.216
157 HB3 ASN 19 2HB ASN 19 -5.495 10.506 -2.427
158 HD21 ASN 19 1HD2 ASN 19 -6.141 12.607 -3.530
159 HD22 ASN 19 2HD2 ASN 19 -7.602 12.595 -4.461
160 H LEU 20 H LEU 20 -4.566 8.390 -1.230
161 HA LEU 20 HA LEU 20 -4.983 6.653 -3.529
162 HB2 LEU 20 1HB LEU 20 -2.493 7.434 -2.008
163 HB3 LEU 20 2HB LEU 20 -2.525 6.347 -3.383
164 HG LEU 20 HG LEU 20 -3.316 9.274 -3.411
165 HD11 LEU 20 1HD1 LEU 20 -0.845 8.647 -3.164
166 HD12 LEU 20 2HD1 LEU 20 -0.964 8.028 -4.829
167 HD13 LEU 20 3HD1 LEU 20 -1.292 9.744 -4.493
168 HD21 LEU 20 1HD2 LEU 20 -3.350 7.171 -5.581
169 HD22 LEU 20 2HD2 LEU 20 -4.679 8.218 -5.024
170 HD23 LEU 20 3HD2 LEU 20 -3.311 8.918 -5.924
171 H CYS 21 H CYS 21 -3.933 4.391 -3.340
172 HA CYS 21 HA CYS 21 -4.434 3.343 -0.653
173 HB2 CYS 21 1HB CYS 21 -5.204 1.778 -3.113
174 HB3 CYS 21 2HB CYS 21 -5.698 1.529 -1.451
175 H TYR 22 H TYR 22 -3.132 1.411 -0.157
176 HA TYR 22 HA TYR 22 -1.024 0.830 -2.102
177 HB2 TYR 22 1HB TYR 22 0.651 1.264 -0.393
178 HB3 TYR 22 2HB TYR 22 -0.452 2.621 -0.265
179 HD1 TYR 22 1HD TYR 22 -1.463 3.133 1.792
180 HD2 TYR 22 2HD TYR 22 0.249 -0.744 1.210
181 HE1 TYR 22 1HE TYR 22 -1.827 2.595 4.250
182 HE2 TYR 22 2HE TYR 22 -0.120 -1.268 3.671
183 HH TYR 22 HH TYR 22 -1.937 0.910 5.725
184 H LYS 23 H LYS 23 0.118 -1.221 -1.643
185 HA LYS 23 HA LYS 23 -1.267 -2.942 0.257
186 HB2 LYS 23 1HB LYS 23 -1.255 -4.733 -1.609
187 HB3 LYS 23 2HB LYS 23 -2.536 -3.539 -1.585
188 HG2 LYS 23 1HG LYS 23 -0.971 -2.139 -3.167
189 HG3 LYS 23 2HG LYS 23 -0.101 -3.642 -3.401
190 HD2 LYS 23 1HD LYS 23 -1.751 -4.539 -4.710
191 HD3 LYS 23 2HD LYS 23 -3.029 -3.978 -3.650
192 HE2 LYS 23 1HE LYS 23 -3.234 -1.915 -4.743
193 HE3 LYS 23 2HE LYS 23 -1.564 -1.904 -5.274
194 HZ1 LYS 23 1HZ LYS 23 -3.572 -3.803 -6.359
195 HZ2 LYS 23 2HZ LYS 23 -3.221 -2.381 -7.071
196 HZ3 LYS 23 3HZ LYS 23 -2.052 -3.510 -6.892
197 H MET 24 H MET 24 0.176 -4.079 1.448
198 HA MET 24 HA MET 24 2.919 -3.979 0.529
199 HB2 MET 24 1HB MET 24 1.498 -4.390 3.182
200 HB3 MET 24 2HB MET 24 3.135 -4.995 3.020
201 HG2 MET 24 1HG MET 24 4.060 -2.884 2.986
202 HG3 MET 24 2HG MET 24 2.767 -2.219 2.006
203 HE1 MET 24 1HE MET 24 3.313 -3.644 5.833
204 HE2 MET 24 2HE MET 24 4.450 -2.466 5.135
205 HE3 MET 24 3HE MET 24 3.337 -1.969 6.433
206 H PHE 25 H PHE 25 3.923 -5.749 -0.333
207 HA PHE 25 HA PHE 25 2.588 -8.329 0.082
208 HB2 PHE 25 1HB PHE 25 4.425 -7.203 -2.117
209 HB3 PHE 25 2HB PHE 25 3.841 -8.856 -2.107
210 HD1 PHE 25 1HD PHE 25 3.181 -5.539 -3.167
211 HD2 PHE 25 2HD PHE 25 1.269 -9.177 -2.109
212 HE1 PHE 25 1HE PHE 25 1.121 -4.819 -4.409
213 HE2 PHE 25 2HE PHE 25 -0.790 -8.456 -3.351
214 HZ PHE 25 HZ PHE 25 -0.838 -6.286 -4.486
215 H MET 26 H MET 26 3.843 -10.176 0.607
216 HA MET 26 HA MET 26 6.355 -9.475 1.837
217 HB2 MET 26 1HB MET 26 4.279 -11.045 2.669
218 HB3 MET 26 2HB MET 26 5.229 -12.281 1.869
219 HG2 MET 26 1HG MET 26 7.253 -11.368 3.242
220 HG3 MET 26 2HG MET 26 6.066 -10.505 4.199
221 HE1 MET 26 1HE MET 26 5.329 -12.347 6.749
222 HE2 MET 26 2HE MET 26 7.008 -12.913 6.589
223 HE3 MET 26 3HE MET 26 6.577 -11.256 6.101
224 H MET 27 H MET 27 8.296 -9.829 0.854
225 HA MET 27 HA MET 27 9.488 -10.267 -1.020
226 HB2 MET 27 1HB MET 27 9.053 -12.824 0.590
227 HB3 MET 27 2HB MET 27 10.182 -12.811 -0.750
228 HG2 MET 27 1HG MET 27 10.380 -10.644 1.359
229 HG3 MET 27 2HG MET 27 11.016 -12.238 1.714
230 HE1 MET 27 1HE MET 27 13.800 -12.778 -0.860
231 HE2 MET 27 2HE MET 27 13.003 -13.327 0.634
232 HE3 MET 27 3HE MET 27 12.131 -13.395 -0.916
233 H SER 28 H SER 28 7.224 -9.915 -2.309
234 HA SER 28 HA SER 28 7.253 -11.127 -4.572
235 HB2 SER 28 1HB SER 28 5.473 -13.050 -4.316
236 HB3 SER 28 2HB SER 28 7.160 -13.382 -3.976
237 HG SER 28 HG SER 28 5.759 -12.414 -1.752
238 H ASP 29 H ASP 29 6.032 -9.508 -5.484
239 HA ASP 29 HA ASP 29 3.755 -8.532 -4.087
240 HB2 ASP 29 1HB ASP 29 3.614 -7.289 -6.500
241 HB3 ASP 29 2HB ASP 29 4.667 -6.748 -5.208
242 HD2 ASP 29 HD ASP 29 6.108 -6.032 -7.497
243 H LEU 30 H LEU 30 4.527 -10.342 -7.129
244 HA LEU 30 HA LEU 30 2.162 -10.444 -8.390
245 HB2 LEU 30 1HB LEU 30 4.270 -12.544 -7.964
246 HB3 LEU 30 2HB LEU 30 2.856 -12.866 -8.948
247 HG LEU 30 HG LEU 30 4.499 -10.425 -9.531
248 HD11 LEU 30 1HD1 LEU 30 5.460 -12.497 -11.198
249 HD12 LEU 30 2HD1 LEU 30 6.352 -11.555 -9.978
250 HD13 LEU 30 3HD1 LEU 30 5.570 -13.088 -9.522
251 HD21 LEU 30 1HD2 LEU 30 3.380 -12.215 -11.629
252 HD22 LEU 30 2HD2 LEU 30 2.226 -11.300 -10.630
253 HD23 LEU 30 3HD2 LEU 30 3.478 -10.439 -11.559
254 H THR 31 H THR 31 3.144 -12.653 -5.678
255 HA THR 31 HA THR 31 0.679 -13.967 -5.525
256 HB THR 31 HB THR 31 1.591 -14.654 -3.277
257 HG1 THR 31 1HG THR 31 3.560 -13.532 -2.649
258 HG21 THR 31 1HG2 THR 31 3.216 -15.981 -4.217
259 HG22 THR 31 2HG2 THR 31 2.773 -15.200 -5.754
260 HG23 THR 31 3HG2 THR 31 4.135 -14.571 -4.798
261 H ILE 32 H ILE 32 -0.661 -13.900 -3.365
262 HA ILE 32 HA ILE 32 -2.021 -11.452 -3.424
263 HB ILE 32 HB ILE 32 -2.282 -14.056 -2.213
264 HG12 ILE 32 1HG1 ILE 32 -4.749 -13.242 -2.268
265 HG13 ILE 32 2HG1 ILE 32 -4.118 -11.837 -3.102
266 HG21 ILE 32 1HG2 ILE 32 -3.663 -13.277 -0.255
267 HG22 ILE 32 2HG2 ILE 32 -1.902 -13.077 -0.082
268 HG23 ILE 32 3HG2 ILE 32 -2.924 -11.671 -0.467
269 HD11 ILE 32 1HD1 ILE 32 -4.169 -13.037 -5.021
270 HD12 ILE 32 2HD1 ILE 32 -2.867 -14.052 -4.358
271 HD13 ILE 32 3HD1 ILE 32 -4.568 -14.525 -4.129
272 HA PRO 33 HA PRO 33 0.200 -9.126 -0.545
273 HB2 PRO 33 1HB PRO 33 -1.690 -7.319 0.248
274 HB3 PRO 33 2HB PRO 33 -0.793 -7.172 -1.251
275 HG2 PRO 33 1HG PRO 33 -3.599 -8.009 -0.843
276 HG3 PRO 33 2HG PRO 33 -2.822 -7.452 -2.311
277 HD2 PRO 33 1HD PRO 33 -3.479 -10.162 -1.638
278 HD3 PRO 33 2HD PRO 33 -2.600 -9.617 -3.052
279 H VAL 34 H VAL 34 0.681 -8.692 1.660
280 HA VAL 34 HA VAL 34 -0.753 -10.601 3.325
281 HB VAL 34 HB VAL 34 1.121 -10.268 4.866
282 HG11 VAL 34 1HG1 VAL 34 2.370 -10.717 2.166
283 HG12 VAL 34 2HG1 VAL 34 2.629 -11.588 3.695
284 HG13 VAL 34 3HG1 VAL 34 1.128 -11.838 2.772
285 HG21 VAL 34 1HG2 VAL 34 3.048 -8.936 3.321
286 HG22 VAL 34 2HG2 VAL 34 1.585 -7.928 3.213
287 HG23 VAL 34 3HG2 VAL 34 2.261 -8.348 4.804
288 H LYS 35 H LYS 35 -0.123 -7.115 2.893
289 HA LYS 35 HA LYS 35 -2.340 -6.562 4.648
290 HB2 LYS 35 1HB LYS 35 -0.545 -6.669 6.275
291 HB3 LYS 35 2HB LYS 35 0.459 -5.607 5.310
292 HG2 LYS 35 1HG LYS 35 -1.092 -3.740 5.617
293 HG3 LYS 35 2HG LYS 35 -2.280 -4.781 6.375
294 HD2 LYS 35 1HD LYS 35 0.329 -4.959 7.725
295 HD3 LYS 35 2HD LYS 35 -0.260 -3.309 7.683
296 HE2 LYS 35 1HE LYS 35 -2.375 -3.963 8.736
297 HE3 LYS 35 2HE LYS 35 -1.972 -5.664 8.605
298 HZ1 LYS 35 1HZ LYS 35 -1.275 -3.920 10.676
299 HZ2 LYS 35 2HZ LYS 35 -0.890 -5.497 10.550
300 HZ3 LYS 35 3HZ LYS 35 0.100 -4.364 9.906
301 H ARG 36 H ARG 36 -2.878 -4.149 4.560
302 HA ARG 36 HA ARG 36 -1.662 -2.649 2.526
303 HB2 ARG 36 1HB ARG 36 -3.744 -2.515 1.047
304 HB3 ARG 36 2HB ARG 36 -2.885 -4.039 0.965
305 HG2 ARG 36 1HG ARG 36 -5.027 -4.863 1.278
306 HG3 ARG 36 2HG ARG 36 -4.558 -4.705 2.958
307 HD2 ARG 36 1HD ARG 36 -5.751 -2.263 1.679
308 HD3 ARG 36 2HD ARG 36 -6.840 -3.609 1.947
309 HE ARG 36 HE ARG 36 -5.881 -1.846 3.963
310 HH11 ARG 36 1HH ARG 36 -6.404 -3.871 6.737
311 HH12 ARG 36 2HH1 ARG 36 -6.142 -2.302 6.150
312 HH21 ARG 36 1HH2 ARG 36 -6.499 -5.670 5.157
313 HH22 ARG 36 2HH2 ARG 36 -6.300 -5.330 3.470
314 H GLY 37 H GLY 37 -3.364 -0.657 1.993
315 HA2 GLY 37 1HA GLY 37 -5.351 0.009 3.819
316 HA3 GLY 37 2HA GLY 37 -3.840 0.587 4.491
317 H CYS 38 H CYS 38 -5.460 2.605 3.997
318 HA CYS 38 HA CYS 38 -5.049 3.502 1.268
319 HB2 CYS 38 1HB CYS 38 -6.548 5.031 3.396
320 HB3 CYS 38 2HB CYS 38 -6.719 5.118 1.653
321 H ILE 39 H ILE 39 -4.132 5.726 0.920
322 HA ILE 39 HA ILE 39 -2.775 6.991 3.080
323 HB ILE 39 HB ILE 39 -1.339 4.982 2.546
324 HG12 ILE 39 1HG1 ILE 39 0.259 7.460 2.047
325 HG13 ILE 39 2HG1 ILE 39 -0.696 7.383 3.514
326 HG21 ILE 39 1HG2 ILE 39 -1.489 6.185 -0.107
327 HG22 ILE 39 2HG2 ILE 39 0.186 5.911 0.430
328 HG23 ILE 39 3HG2 ILE 39 -0.969 4.557 0.391
329 HD11 ILE 39 1HD1 ILE 39 0.392 4.943 3.709
330 HD12 ILE 39 2HD1 ILE 39 1.639 5.678 2.673
331 HD13 ILE 39 3HD1 ILE 39 1.270 6.389 4.263
332 H ASP 40 H ASP 40 -1.591 8.975 2.275
333 HA ASP 40 HA ASP 40 -3.097 9.985 0.028
334 HB2 ASP 40 1HB ASP 40 -3.122 11.359 2.039
335 HB3 ASP 40 2HB ASP 40 -1.376 11.299 2.173
336 HD2 ASP 40 HD ASP 40 -3.956 12.561 0.414
337 H VAL 41 H VAL 41 0.194 9.208 1.184
338 HA VAL 41 HA VAL 41 1.200 9.789 -1.505
339 HB VAL 41 HB VAL 41 2.452 10.545 1.140
340 HG11 VAL 41 1HG1 VAL 41 3.641 10.278 -1.612
341 HG12 VAL 41 2HG1 VAL 41 4.245 11.528 -0.496
342 HG13 VAL 41 3HG1 VAL 41 4.315 9.811 -0.032
343 HG21 VAL 41 1HG2 VAL 41 0.659 11.983 -0.236
344 HG22 VAL 41 2HG2 VAL 41 2.020 12.729 0.636
345 HG23 VAL 41 3HG2 VAL 41 2.125 12.465 -1.121
346 H CYS 42 H CYS 42 2.665 8.266 -2.314
347 HA CYS 42 HA CYS 42 2.486 5.712 -1.199
348 HB2 CYS 42 1HB CYS 42 2.889 6.347 -3.641
349 HB3 CYS 42 2HB CYS 42 4.566 6.610 -3.209
350 HA PRO 43 HA PRO 43 5.713 6.290 1.736
351 HB2 PRO 43 1HB PRO 43 5.503 3.865 2.979
352 HB3 PRO 43 2HB PRO 43 4.514 5.247 3.402
353 HG2 PRO 43 1HG PRO 43 3.767 2.831 1.872
354 HG3 PRO 43 2HG PRO 43 2.723 3.997 2.662
355 HD2 PRO 43 1HD PRO 43 3.254 3.797 -0.149
356 HD3 PRO 43 2HD PRO 43 2.305 5.031 0.651
357 H LYS 44 H LYS 44 7.773 5.209 2.496
358 HA LYS 44 HA LYS 44 9.123 4.426 0.113
359 HB2 LYS 44 1HB LYS 44 10.131 4.439 2.971
360 HB3 LYS 44 2HB LYS 44 11.103 4.398 1.513
361 HG2 LYS 44 1HG LYS 44 10.820 6.642 1.093
362 HG3 LYS 44 2HG LYS 44 9.142 6.635 1.600
363 HD2 LYS 44 1HD LYS 44 11.251 6.243 3.721
364 HD3 LYS 44 2HD LYS 44 11.057 7.851 3.051
365 HE2 LYS 44 1HE LYS 44 8.616 6.306 3.978
366 HE3 LYS 44 2HE LYS 44 9.623 7.126 5.155
367 HZ1 LYS 44 1HZ LYS 44 9.302 9.195 3.857
368 HZ2 LYS 44 2HZ LYS 44 8.310 8.419 2.824
369 HZ3 LYS 44 3HZ LYS 44 7.900 8.549 4.402
370 H ASN 45 H ASN 45 9.481 2.412 -0.678
371 HA ASN 45 HA ASN 45 8.198 0.262 0.605
372 HB2 ASN 45 1HB ASN 45 8.412 0.456 -1.884
373 HB3 ASN 45 2HB ASN 45 10.154 0.312 -1.755
374 HD21 ASN 45 1HD2 ASN 45 10.158 -1.512 -3.054
375 HD22 ASN 45 2HD2 ASN 45 9.661 -3.074 -2.496
376 H SER 46 H SER 46 9.500 -1.916 0.936
377 HA SER 46 HA SER 46 12.089 -1.236 2.096
378 HB2 SER 46 1HB SER 46 11.688 -2.909 3.831
379 HB3 SER 46 2HB SER 46 10.357 -1.770 3.809
380 HG SER 46 HG SER 46 9.797 -3.820 2.081
381 H LEU 47 H LEU 47 13.339 -3.550 2.483
382 HA LEU 47 HA LEU 47 13.437 -4.703 -0.186
383 HB2 LEU 47 1HB LEU 47 15.380 -5.494 1.901
384 HB3 LEU 47 2HB LEU 47 15.617 -5.158 0.198
385 HG LEU 47 HG LEU 47 15.210 -3.069 2.356
386 HD11 LEU 47 1HD1 LEU 47 17.340 -4.059 2.701
387 HD12 LEU 47 2HD1 LEU 47 17.701 -4.061 0.958
388 HD13 LEU 47 3HD1 LEU 47 17.618 -2.522 1.847
389 HD21 LEU 47 1HD2 LEU 47 15.508 -2.892 -0.626
390 HD22 LEU 47 2HD2 LEU 47 14.398 -2.026 0.464
391 HD23 LEU 47 3HD2 LEU 47 16.122 -1.584 0.416
392 H LEU 48 H LEU 48 11.833 -5.238 2.724
393 HA LEU 48 HA LEU 48 11.968 -8.146 2.432
394 HB2 LEU 48 1HB LEU 48 12.270 -6.719 4.645
395 HB3 LEU 48 2HB LEU 48 10.518 -6.784 4.656
396 HG LEU 48 HG LEU 48 11.391 -8.552 6.032
397 HD11 LEU 48 1HD1 LEU 48 9.370 -9.169 4.983
398 HD12 LEU 48 2HD1 LEU 48 10.178 -9.491 3.429
399 HD13 LEU 48 3HD1 LEU 48 10.451 -10.573 4.817
400 HD21 LEU 48 1HD2 LEU 48 13.487 -8.655 4.201
401 HD22 LEU 48 2HD2 LEU 48 13.240 -9.714 5.610
402 HD23 LEU 48 3HD2 LEU 48 12.649 -10.213 4.005
403 H VAL 49 H VAL 49 9.513 -5.517 2.978
404 HA VAL 49 HA VAL 49 7.610 -7.214 1.529
405 HB VAL 49 HB VAL 49 6.887 -4.807 3.165
406 HG11 VAL 49 1HG1 VAL 49 5.448 -7.431 2.644
407 HG12 VAL 49 2HG1 VAL 49 4.792 -6.004 3.481
408 HG13 VAL 49 3HG1 VAL 49 5.182 -5.917 1.746
409 HG21 VAL 49 1HG2 VAL 49 7.887 -5.745 4.956
410 HG22 VAL 49 2HG2 VAL 49 6.503 -6.865 4.926
411 HG23 VAL 49 3HG2 VAL 49 8.043 -7.333 4.166
412 H LYS 50 H LYS 50 6.751 -6.542 -0.403
413 HA LYS 50 HA LYS 50 7.943 -4.171 -1.544
414 HB2 LYS 50 1HB LYS 50 6.388 -6.519 -2.602
415 HB3 LYS 50 2HB LYS 50 6.543 -5.066 -3.570
416 HG2 LYS 50 1HG LYS 50 9.135 -5.748 -2.429
417 HG3 LYS 50 2HG LYS 50 8.468 -7.153 -3.236
418 HD2 LYS 50 1HD LYS 50 7.894 -5.099 -5.041
419 HD3 LYS 50 2HD LYS 50 9.446 -4.607 -4.393
420 HE2 LYS 50 1HE LYS 50 10.533 -6.599 -5.124
421 HE3 LYS 50 2HE LYS 50 9.026 -7.478 -5.285
422 HZ1 LYS 50 1HZ LYS 50 9.558 -5.111 -6.974
423 HZ2 LYS 50 2HZ LYS 50 10.106 -6.580 -7.412
424 HZ3 LYS 50 3HZ LYS 50 8.502 -6.342 -7.193
425 H TYR 51 H TYR 51 6.900 -2.256 -2.009
426 HA TYR 51 HA TYR 51 4.162 -2.071 -0.963
427 HB2 TYR 51 1HB TYR 51 6.603 -0.265 -1.307
428 HB3 TYR 51 2HB TYR 51 5.024 0.487 -1.204
429 HD1 TYR 51 1HD TYR 51 5.210 1.627 0.864
430 HD2 TYR 51 2HD TYR 51 6.140 -2.544 0.657
431 HE1 TYR 51 1HE TYR 51 5.331 1.521 3.402
432 HE2 TYR 51 2HE TYR 51 6.258 -2.637 3.195
433 HH TYR 51 HH TYR 51 5.789 0.307 5.129
434 H VAL 52 H VAL 52 2.485 -1.511 -2.292
435 HA VAL 52 HA VAL 52 3.186 -0.444 -4.928
436 HB VAL 52 HB VAL 52 1.036 -2.512 -4.571
437 HG11 VAL 52 1HG1 VAL 52 0.760 -2.260 -6.771
438 HG12 VAL 52 2HG1 VAL 52 1.907 -0.901 -6.710
439 HG13 VAL 52 3HG1 VAL 52 2.491 -2.543 -7.072
440 HG21 VAL 52 1HG2 VAL 52 3.992 -3.008 -5.018
441 HG22 VAL 52 2HG2 VAL 52 2.948 -3.668 -3.737
442 HG23 VAL 52 3HG2 VAL 52 2.727 -4.193 -5.423
443 H CYS 53 H CYS 53 2.285 1.543 -5.028
444 HA CYS 53 HA CYS 53 -0.145 1.980 -3.485
445 HB2 CYS 53 1HB CYS 53 1.714 3.992 -4.796
446 HB3 CYS 53 2HB CYS 53 0.318 4.380 -3.811
447 H CYS 54 H CYS 54 -1.833 3.439 -4.629
448 HA CYS 54 HA CYS 54 -1.787 3.308 -7.495
449 HB2 CYS 54 1HB CYS 54 -4.149 2.188 -7.429
450 HB3 CYS 54 2HB CYS 54 -2.708 1.192 -7.396
451 H ASN 55 H ASN 55 -3.970 4.372 -8.310
452 HA ASN 55 HA ASN 55 -4.945 6.202 -6.275
453 HB2 ASN 55 1HB ASN 55 -4.888 8.045 -8.023
454 HB3 ASN 55 2HB ASN 55 -3.296 7.497 -7.537
455 HD21 ASN 55 1HD2 ASN 55 -4.740 8.601 -10.066
456 HD22 ASN 55 2HD2 ASN 55 -4.105 7.644 -11.362
457 H THR 56 H THR 56 -5.893 3.671 -7.758
458 HA THR 56 HA THR 56 -8.313 4.852 -8.956
459 HB THR 56 HB THR 56 -8.228 2.700 -10.410
460 HG1 THR 56 1HG THR 56 -6.413 1.474 -10.030
461 HG21 THR 56 1HG2 THR 56 -7.313 5.112 -11.073
462 HG22 THR 56 2HG2 THR 56 -5.719 4.350 -10.854
463 HG23 THR 56 3HG2 THR 56 -6.858 3.702 -12.059
464 H ASP 57 H ASP 57 -10.296 3.812 -8.547
465 HA ASP 57 HA ASP 57 -10.514 2.814 -5.998
466 HB2 ASP 57 1HB ASP 57 -12.429 2.310 -8.323
467 HB3 ASP 57 2HB ASP 57 -12.840 2.273 -6.621
468 HD2 ASP 57 HD ASP 57 -11.406 4.865 -6.080
469 H ARG 58 H ARG 58 -10.765 0.634 -5.189
470 HA ARG 58 HA ARG 58 -10.354 -1.485 -5.078
471 HB2 ARG 58 1HB ARG 58 -11.217 -1.956 -7.942
472 HB3 ARG 58 2HB ARG 58 -11.582 -2.909 -6.516
473 HG2 ARG 58 1HG ARG 58 -13.020 -1.007 -5.665
474 HG3 ARG 58 2HG ARG 58 -12.717 -0.147 -7.162
475 HD2 ARG 58 1HD ARG 58 -14.892 -1.404 -7.197
476 HD3 ARG 58 2HD ARG 58 -13.805 -1.911 -8.476
477 HE ARG 58 HE ARG 58 -13.619 -3.473 -5.975
478 HH11 ARG 58 1HH ARG 58 -14.865 -6.356 -7.459
479 HH12 ARG 58 2HH1 ARG 58 -14.116 -5.662 -6.105
480 HH21 ARG 58 1HH2 ARG 58 -15.411 -4.929 -9.306
481 HH22 ARG 58 2HH2 ARG 58 -15.032 -3.241 -9.215
482 H CYS 59 H CYS 59 -8.167 0.208 -6.020
483 HA CYS 59 HA CYS 59 -6.871 -1.117 -8.175
484 HB2 CYS 59 1HB CYS 59 -4.937 0.343 -7.555
485 HB3 CYS 59 2HB CYS 59 -6.423 1.217 -7.867
486 H ASN 60 H ASN 60 -6.808 -1.168 -4.580
487 HA ASN 60 HA ASN 60 -4.766 -3.225 -4.714
488 HB2 ASN 60 1HB ASN 60 -4.445 -2.813 -2.310
489 HB3 ASN 60 2HB ASN 60 -4.431 -1.273 -3.144
490 HD21 ASN 60 1HD2 ASN 60 -5.010 -1.806 -0.384
491 HD22 ASN 60 2HD2 ASN 60 -6.614 -1.247 -0.047
492 H1 HOH 101 1H HOH 61 3.067 -11.969 -1.482
493 H2 HOH 101 2H HOH 61 2.142 -11.862 -0.288
Start of MODEL 13
1 H1 LEU 1 H LEU 1 -10.483 8.914 -2.434
2 HA LEU 1 HA LEU 1 -11.698 7.111 -3.919
3 HB2 LEU 1 1HB LEU 1 -9.023 7.757 -3.277
4 HB3 LEU 1 2HB LEU 1 -9.132 6.008 -3.254
5 HG LEU 1 HG LEU 1 -10.502 6.895 -5.586
6 HD11 LEU 1 1HD1 LEU 1 -9.311 9.021 -5.362
7 HD12 LEU 1 2HD1 LEU 1 -7.758 8.152 -5.307
8 HD13 LEU 1 3HD1 LEU 1 -8.753 8.107 -6.783
9 HD21 LEU 1 1HD2 LEU 1 -8.704 5.629 -6.736
10 HD22 LEU 1 2HD2 LEU 1 -7.846 5.496 -5.183
11 HD23 LEU 1 3HD2 LEU 1 -9.445 4.740 -5.384
12 H LYS 2 H LYS 2 -12.089 4.819 -3.963
13 HA LYS 2 HA LYS 2 -12.591 3.791 -1.282
14 HB2 LYS 2 1HB LYS 2 -13.588 2.828 -3.979
15 HB3 LYS 2 2HB LYS 2 -14.072 2.196 -2.419
16 HG2 LYS 2 1HG LYS 2 -14.451 4.976 -2.158
17 HG3 LYS 2 2HG LYS 2 -14.964 4.641 -3.799
18 HD2 LYS 2 1HD LYS 2 -15.926 2.680 -1.763
19 HD3 LYS 2 2HD LYS 2 -16.558 4.304 -1.577
20 HE2 LYS 2 1HE LYS 2 -17.213 4.264 -4.038
21 HE3 LYS 2 2HE LYS 2 -16.711 2.585 -4.099
22 HZ1 LYS 2 1HZ LYS 2 -19.152 3.603 -3.154
23 HZ2 LYS 2 2HZ LYS 2 -18.706 2.040 -3.260
24 HZ3 LYS 2 3HZ LYS 2 -18.359 2.897 -1.910
25 H CYS 3 H CYS 3 -11.183 2.408 -0.361
26 HA CYS 3 HA CYS 3 -9.424 0.943 -2.189
27 HB2 CYS 3 1HB CYS 3 -8.827 1.527 0.720
28 HB3 CYS 3 2HB CYS 3 -7.725 0.964 -0.521
29 H ASN 4 H ASN 4 -9.041 -1.333 -1.682
30 HA ASN 4 HA ASN 4 -11.305 -2.465 -0.301
31 HB2 ASN 4 1HB ASN 4 -9.085 -3.944 -1.796
32 HB3 ASN 4 2HB ASN 4 -10.677 -4.559 -1.398
33 HD21 ASN 4 1HD2 ASN 4 -10.240 -4.917 -3.849
34 HD22 ASN 4 2HD2 ASN 4 -10.941 -3.747 -4.917
35 H LYS 5 H LYS 5 -10.672 -4.634 0.989
36 HA LYS 5 HA LYS 5 -8.517 -3.876 2.798
37 HB2 LYS 5 1HB LYS 5 -10.574 -6.054 3.205
38 HB3 LYS 5 2HB LYS 5 -9.572 -5.272 4.412
39 HG2 LYS 5 1HG LYS 5 -11.161 -3.687 4.718
40 HG3 LYS 5 2HG LYS 5 -10.996 -3.187 3.046
41 HD2 LYS 5 1HD LYS 5 -13.164 -3.873 2.831
42 HD3 LYS 5 2HD LYS 5 -12.489 -5.487 2.743
43 HE2 LYS 5 1HE LYS 5 -13.498 -6.063 4.691
44 HE3 LYS 5 2HE LYS 5 -12.691 -4.756 5.534
45 HZ1 LYS 5 1HZ LYS 5 -15.318 -4.813 5.224
46 HZ2 LYS 5 2HZ LYS 5 -14.509 -3.401 5.303
47 HZ3 LYS 5 3HZ LYS 5 -14.908 -4.032 3.846
48 H LEU 6 H LEU 6 -8.191 -6.638 3.798
49 HA LEU 6 HA LEU 6 -6.016 -7.396 2.309
50 HB2 LEU 6 1HB LEU 6 -6.413 -8.100 4.584
51 HB3 LEU 6 2HB LEU 6 -7.821 -9.025 4.100
52 HG LEU 6 HG LEU 6 -5.370 -9.808 2.676
53 HD11 LEU 6 1HD1 LEU 6 -5.166 -11.009 5.283
54 HD12 LEU 6 2HD1 LEU 6 -3.945 -10.115 4.346
55 HD13 LEU 6 3HD1 LEU 6 -5.061 -9.237 5.419
56 HD21 LEU 6 1HD2 LEU 6 -6.878 -11.432 2.341
57 HD22 LEU 6 2HD2 LEU 6 -6.348 -12.027 3.933
58 HD23 LEU 6 3HD2 LEU 6 -7.806 -11.016 3.802
59 H VAL 7 H VAL 7 -9.476 -8.213 1.904
60 HA VAL 7 HA VAL 7 -8.722 -9.809 -0.441
61 HB VAL 7 HB VAL 7 -11.234 -9.778 1.244
62 HG11 VAL 7 1HG1 VAL 7 -10.594 -11.683 -1.022
63 HG12 VAL 7 2HG1 VAL 7 -12.128 -11.488 -0.142
64 HG13 VAL 7 3HG1 VAL 7 -11.565 -10.208 -1.242
65 HG21 VAL 7 1HG2 VAL 7 -9.515 -10.890 2.453
66 HG22 VAL 7 2HG2 VAL 7 -10.508 -12.168 1.711
67 HG23 VAL 7 3HG2 VAL 7 -8.935 -11.735 0.998
68 HA PRO 8 HA PRO 8 -10.328 -6.531 -2.793
69 HB2 PRO 8 1HB PRO 8 -10.171 -7.690 -5.263
70 HB3 PRO 8 2HB PRO 8 -8.809 -6.912 -4.481
71 HG2 PRO 8 1HG PRO 8 -9.346 -9.798 -4.828
72 HG3 PRO 8 2HG PRO 8 -7.833 -9.001 -4.446
73 HD2 PRO 8 1HD PRO 8 -9.531 -10.424 -2.624
74 HD3 PRO 8 2HD PRO 8 -8.079 -9.529 -2.222
75 H ILE 9 H ILE 9 -12.240 -7.788 -1.328
76 HA ILE 9 HA ILE 9 -14.330 -8.060 -3.376
77 HB ILE 9 HB ILE 9 -13.553 -10.161 -2.079
78 HG12 ILE 9 1HG1 ILE 9 -15.556 -9.926 -3.565
79 HG13 ILE 9 2HG1 ILE 9 -15.723 -11.113 -2.287
80 HG21 ILE 9 1HG2 ILE 9 -13.510 -9.319 0.153
81 HG22 ILE 9 2HG2 ILE 9 -15.188 -8.737 0.033
82 HG23 ILE 9 3HG2 ILE 9 -14.850 -10.484 0.044
83 HD11 ILE 9 1HD1 ILE 9 -17.775 -9.857 -2.312
84 HD12 ILE 9 2HD1 ILE 9 -16.869 -9.288 -0.888
85 HD13 ILE 9 3HD1 ILE 9 -16.903 -8.305 -2.371
86 H ALA 10 H ALA 10 -13.503 -7.131 0.020
87 HA ALA 10 HA ALA 10 -15.835 -5.347 -0.047
88 HB1 ALA 10 1HB ALA 10 -14.439 -5.849 2.521
89 HB2 ALA 10 2HB ALA 10 -16.179 -5.842 2.145
90 HB3 ALA 10 3HB ALA 10 -15.196 -7.282 1.785
91 H TYR 11 H TYR 11 -15.493 -3.171 -0.101
92 HA TYR 11 HA TYR 11 -12.898 -2.178 0.800
93 HB2 TYR 11 1HB TYR 11 -12.922 -0.789 -1.377
94 HB3 TYR 11 2HB TYR 11 -12.675 -2.505 -1.637
95 HD1 TYR 11 1HD TYR 11 -14.668 -3.934 -2.346
96 HD2 TYR 11 2HD TYR 11 -14.762 0.344 -2.356
97 HE1 TYR 11 1HE TYR 11 -16.659 -3.974 -3.926
98 HE2 TYR 11 2HE TYR 11 -16.752 0.289 -3.937
99 HH TYR 11 HH TYR 11 -18.679 -2.067 -4.325
100 H LYS 12 H LYS 12 -12.918 0.059 1.420
101 HA LYS 12 HA LYS 12 -15.620 1.203 1.549
102 HB2 LYS 12 1HB LYS 12 -14.176 0.229 3.717
103 HB3 LYS 12 2HB LYS 12 -13.860 1.951 3.765
104 HG2 LYS 12 1HG LYS 12 -16.575 1.920 3.216
105 HG3 LYS 12 2HG LYS 12 -16.413 0.482 4.204
106 HD2 LYS 12 1HD LYS 12 -16.757 2.129 5.839
107 HD3 LYS 12 2HD LYS 12 -15.007 2.024 5.815
108 HE2 LYS 12 1HE LYS 12 -14.817 4.010 4.426
109 HE3 LYS 12 2HE LYS 12 -16.538 4.027 4.097
110 HZ1 LYS 12 1HZ LYS 12 -16.946 5.030 6.072
111 HZ2 LYS 12 2HZ LYS 12 -15.905 4.104 6.914
112 HZ3 LYS 12 3HZ LYS 12 -15.347 5.376 6.048
113 H THR 13 H THR 13 -15.073 3.700 2.519
114 HA THR 13 HA THR 13 -13.344 4.770 0.397
115 HB THR 13 HB THR 13 -15.908 5.583 1.739
116 HG1 THR 13 1HG THR 13 -16.294 5.964 -0.489
117 HG21 THR 13 1HG2 THR 13 -15.246 7.916 0.503
118 HG22 THR 13 2HG2 THR 13 -14.995 7.668 2.248
119 HG23 THR 13 3HG2 THR 13 -13.638 7.459 1.115
120 H CYS 14 H CYS 14 -11.584 6.017 0.813
121 HA CYS 14 HA CYS 14 -11.062 6.490 3.660
122 HB2 CYS 14 1HB CYS 14 -9.135 5.653 1.476
123 HB3 CYS 14 2HB CYS 14 -8.608 6.311 3.013
124 HA PRO 15 HA PRO 15 -11.166 10.439 1.421
125 HB2 PRO 15 1HB PRO 15 -12.790 11.789 3.155
126 HB3 PRO 15 2HB PRO 15 -13.388 10.952 1.738
127 HG2 PRO 15 1HG PRO 15 -13.561 10.146 4.576
128 HG3 PRO 15 2HG PRO 15 -14.496 9.566 3.213
129 HD2 PRO 15 1HD PRO 15 -12.324 8.211 4.504
130 HD3 PRO 15 2HD PRO 15 -13.182 7.685 3.070
131 H GLU 16 H GLU 16 -11.010 10.076 4.925
132 HA GLU 16 HA GLU 16 -9.780 12.290 5.638
133 HB2 GLU 16 1HB GLU 16 -10.276 10.425 7.175
134 HB3 GLU 16 2HB GLU 16 -8.984 9.467 6.479
135 HG2 GLU 16 1HG GLU 16 -7.334 11.248 7.186
136 HG3 GLU 16 2HG GLU 16 -8.644 12.123 7.952
137 HE2 GLU 16 HE GLU 16 -6.755 10.762 10.119
138 H GLY 17 H GLY 17 -8.486 13.292 4.029
139 HA2 GLY 17 1HA GLY 17 -6.751 13.397 2.500
140 HA3 GLY 17 2HA GLY 17 -5.902 13.381 4.034
141 H LYS 18 H LYS 18 -7.634 10.767 2.193
142 HA LYS 18 HA LYS 18 -5.072 9.409 1.877
143 HB2 LYS 18 1HB LYS 18 -7.475 8.306 3.341
144 HB3 LYS 18 2HB LYS 18 -6.275 7.261 2.606
145 HG2 LYS 18 1HG LYS 18 -4.583 7.910 4.088
146 HG3 LYS 18 2HG LYS 18 -5.275 9.498 4.359
147 HD2 LYS 18 1HD LYS 18 -7.205 8.336 5.590
148 HD3 LYS 18 2HD LYS 18 -6.292 6.845 5.475
149 HE2 LYS 18 1HE LYS 18 -4.730 9.156 6.525
150 HE3 LYS 18 2HE LYS 18 -6.068 8.669 7.544
151 HZ1 LYS 18 1HZ LYS 18 -3.672 7.455 7.550
152 HZ2 LYS 18 2HZ LYS 18 -5.038 6.724 8.048
153 HZ3 LYS 18 3HZ LYS 18 -4.514 6.509 6.514
154 H ASN 19 H ASN 19 -5.639 10.486 -0.287
155 HA ASN 19 HA ASN 19 -7.746 9.089 -1.667
156 HB2 ASN 19 1HB ASN 19 -6.999 11.669 -1.842
157 HB3 ASN 19 2HB ASN 19 -5.855 11.041 -3.010
158 HD21 ASN 19 1HD2 ASN 19 -6.712 11.886 -4.817
159 HD22 ASN 19 2HD2 ASN 19 -8.259 11.475 -5.477
160 H LEU 20 H LEU 20 -5.265 7.677 -0.724
161 HA LEU 20 HA LEU 20 -4.475 6.598 -3.297
162 HB2 LEU 20 1HB LEU 20 -2.601 7.933 -1.367
163 HB3 LEU 20 2HB LEU 20 -2.049 6.620 -2.388
164 HG LEU 20 HG LEU 20 -3.152 9.291 -3.287
165 HD11 LEU 20 1HD1 LEU 20 -0.803 9.226 -2.447
166 HD12 LEU 20 2HD1 LEU 20 -0.420 8.069 -3.745
167 HD13 LEU 20 3HD1 LEU 20 -0.959 9.716 -4.151
168 HD21 LEU 20 1HD2 LEU 20 -4.017 7.761 -4.862
169 HD22 LEU 20 2HD2 LEU 20 -2.552 8.446 -5.605
170 HD23 LEU 20 3HD2 LEU 20 -2.509 6.815 -4.894
171 H CYS 21 H CYS 21 -4.483 4.407 -3.214
172 HA CYS 21 HA CYS 21 -4.688 3.246 -0.545
173 HB2 CYS 21 1HB CYS 21 -5.335 1.801 -3.115
174 HB3 CYS 21 2HB CYS 21 -5.890 1.452 -1.489
175 H TYR 22 H TYR 22 -3.346 1.390 -0.005
176 HA TYR 22 HA TYR 22 -1.231 0.747 -1.906
177 HB2 TYR 22 1HB TYR 22 0.466 1.355 -0.282
178 HB3 TYR 22 2HB TYR 22 -0.675 2.683 -0.202
179 HD1 TYR 22 1HD TYR 22 0.011 -0.631 1.419
180 HD2 TYR 22 2HD TYR 22 -1.479 3.353 1.879
181 HE1 TYR 22 1HE TYR 22 -0.270 -1.017 3.916
182 HE2 TYR 22 2HE TYR 22 -1.754 2.955 4.376
183 HH TYR 22 HH TYR 22 -2.135 0.817 5.823
184 H LYS 23 H LYS 23 -0.090 -1.263 -1.367
185 HA LYS 23 HA LYS 23 -1.294 -2.833 0.758
186 HB2 LYS 23 1HB LYS 23 -1.725 -4.729 -0.807
187 HB3 LYS 23 2HB LYS 23 -2.791 -3.358 -1.028
188 HG2 LYS 23 1HG LYS 23 -0.558 -2.831 -2.706
189 HG3 LYS 23 2HG LYS 23 -0.889 -4.540 -2.913
190 HD2 LYS 23 1HD LYS 23 -3.215 -2.610 -2.956
191 HD3 LYS 23 2HD LYS 23 -2.177 -2.697 -4.366
192 HE2 LYS 23 1HE LYS 23 -2.769 -5.399 -3.505
193 HE3 LYS 23 2HE LYS 23 -4.276 -4.508 -3.597
194 HZ1 LYS 23 1HZ LYS 23 -4.082 -5.023 -5.792
195 HZ2 LYS 23 2HZ LYS 23 -3.092 -3.733 -5.872
196 HZ3 LYS 23 3HZ LYS 23 -2.461 -5.232 -5.688
197 H MET 24 H MET 24 0.218 -4.082 1.770
198 HA MET 24 HA MET 24 2.859 -3.991 0.589
199 HB2 MET 24 1HB MET 24 1.733 -4.577 3.367
200 HB3 MET 24 2HB MET 24 3.398 -4.971 2.989
201 HG2 MET 24 1HG MET 24 4.033 -2.800 3.221
202 HG3 MET 24 2HG MET 24 2.823 -2.268 2.071
203 HE1 MET 24 1HE MET 24 3.356 -0.249 3.973
204 HE2 MET 24 2HE MET 24 1.797 -0.124 3.122
205 HE3 MET 24 3HE MET 24 1.874 0.131 4.882
206 H PHE 25 H PHE 25 3.920 -5.787 -0.200
207 HA PHE 25 HA PHE 25 2.510 -8.339 0.148
208 HB2 PHE 25 1HB PHE 25 4.326 -7.183 -2.050
209 HB3 PHE 25 2HB PHE 25 3.761 -8.842 -2.063
210 HD1 PHE 25 1HD PHE 25 1.329 -9.311 -2.346
211 HD2 PHE 25 2HD PHE 25 2.914 -5.396 -2.749
212 HE1 PHE 25 1HE PHE 25 -0.753 -8.592 -3.550
213 HE2 PHE 25 2HE PHE 25 0.833 -4.676 -3.952
214 HZ PHE 25 HZ PHE 25 -0.976 -6.283 -4.340
215 H MET 26 H MET 26 3.677 -10.172 0.776
216 HA MET 26 HA MET 26 6.263 -9.561 1.888
217 HB2 MET 26 1HB MET 26 4.135 -11.024 2.811
218 HB3 MET 26 2HB MET 26 5.034 -12.315 2.041
219 HG2 MET 26 1HG MET 26 7.108 -11.410 3.348
220 HG3 MET 26 2HG MET 26 5.957 -10.490 4.298
221 HE1 MET 26 1HE MET 26 8.028 -13.304 4.317
222 HE2 MET 26 2HE MET 26 7.131 -14.747 4.846
223 HE3 MET 26 3HE MET 26 6.992 -14.180 3.165
224 H MET 27 H MET 27 8.180 -10.114 0.938
225 HA MET 27 HA MET 27 9.506 -10.771 -0.687
226 HB2 MET 27 1HB MET 27 8.135 -13.336 0.249
227 HB3 MET 27 2HB MET 27 9.442 -13.404 -0.916
228 HG2 MET 27 1HG MET 27 10.928 -12.172 0.697
229 HG3 MET 27 2HG MET 27 9.621 -12.141 1.864
230 HE1 MET 27 1HE MET 27 12.018 -13.929 -0.197
231 HE2 MET 27 2HE MET 27 12.418 -15.425 0.681
232 HE3 MET 27 3HE MET 27 11.057 -15.404 -0.466
233 H SER 28 H SER 28 8.705 -9.723 -2.568
234 HA SER 28 HA SER 28 8.275 -9.920 -4.741
235 HB2 SER 28 1HB SER 28 7.663 -11.893 -5.799
236 HB3 SER 28 2HB SER 28 8.330 -12.538 -4.311
237 HG SER 28 HG SER 28 6.225 -12.807 -3.463
238 H ASP 29 H ASP 29 6.355 -9.337 -6.084
239 HA ASP 29 HA ASP 29 4.177 -8.542 -4.336
240 HB2 ASP 29 1HB ASP 29 3.769 -7.306 -6.808
241 HB3 ASP 29 2HB ASP 29 4.505 -6.562 -5.402
242 HD2 ASP 29 HD ASP 29 5.679 -8.186 -8.477
243 H LEU 30 H LEU 30 5.098 -10.252 -7.356
244 HA LEU 30 HA LEU 30 2.757 -10.611 -8.633
245 HB2 LEU 30 1HB LEU 30 5.049 -12.500 -8.150
246 HB3 LEU 30 2HB LEU 30 3.693 -12.938 -9.171
247 HG LEU 30 HG LEU 30 5.346 -10.450 -9.644
248 HD11 LEU 30 1HD1 LEU 30 6.158 -12.163 -11.593
249 HD12 LEU 30 2HD1 LEU 30 7.049 -11.846 -10.084
250 HD13 LEU 30 3HD1 LEU 30 5.991 -13.272 -10.211
251 HD21 LEU 30 1HD2 LEU 30 3.087 -10.545 -10.663
252 HD22 LEU 30 2HD2 LEU 30 4.402 -10.493 -11.861
253 HD23 LEU 30 3HD2 LEU 30 3.567 -12.028 -11.521
254 H THR 31 H THR 31 3.897 -12.394 -5.703
255 HA THR 31 HA THR 31 1.609 -14.059 -5.575
256 HB THR 31 HB THR 31 2.565 -14.591 -3.327
257 HG1 THR 31 1HG THR 31 4.419 -13.204 -2.720
258 HG21 THR 31 1HG2 THR 31 3.777 -15.399 -5.483
259 HG22 THR 31 2HG2 THR 31 4.906 -14.050 -5.211
260 HG23 THR 31 3HG2 THR 31 4.756 -15.343 -3.998
261 H ILE 32 H ILE 32 0.215 -14.048 -3.464
262 HA ILE 32 HA ILE 32 -1.341 -11.706 -3.619
263 HB ILE 32 HB ILE 32 -1.491 -14.337 -2.469
264 HG12 ILE 32 1HG1 ILE 32 -4.034 -13.369 -2.504
265 HG13 ILE 32 2HG1 ILE 32 -3.264 -12.264 -3.626
266 HG21 ILE 32 1HG2 ILE 32 -1.284 -13.492 -0.293
267 HG22 ILE 32 2HG2 ILE 32 -2.236 -12.035 -0.667
268 HG23 ILE 32 3HG2 ILE 32 -3.039 -13.620 -0.563
269 HD11 ILE 32 1HD1 ILE 32 -4.077 -14.968 -4.101
270 HD12 ILE 32 2HD1 ILE 32 -3.273 -13.854 -5.233
271 HD13 ILE 32 3HD1 ILE 32 -2.300 -14.926 -4.197
272 HA PRO 33 HA PRO 33 0.512 -9.257 -0.587
273 HB2 PRO 33 1HB PRO 33 -1.578 -7.692 0.218
274 HB3 PRO 33 2HB PRO 33 -0.673 -7.399 -1.254
275 HG2 PRO 33 1HG PRO 33 -3.380 -8.547 -0.938
276 HG3 PRO 33 2HG PRO 33 -2.639 -7.860 -2.370
277 HD2 PRO 33 1HD PRO 33 -3.012 -10.646 -1.798
278 HD3 PRO 33 2HD PRO 33 -2.169 -9.963 -3.174
279 H VAL 34 H VAL 34 0.532 -8.513 1.727
280 HA VAL 34 HA VAL 34 -0.639 -10.714 3.281
281 HB VAL 34 HB VAL 34 1.197 -9.963 4.931
282 HG11 VAL 34 1HG1 VAL 34 2.210 -11.242 2.385
283 HG12 VAL 34 2HG1 VAL 34 2.686 -11.577 4.068
284 HG13 VAL 34 3HG1 VAL 34 1.081 -12.074 3.480
285 HG21 VAL 34 1HG2 VAL 34 2.899 -8.604 4.266
286 HG22 VAL 34 2HG2 VAL 34 2.777 -9.097 2.559
287 HG23 VAL 34 3HG2 VAL 34 1.620 -7.924 3.231
288 H LYS 35 H LYS 35 -0.175 -7.181 2.957
289 HA LYS 35 HA LYS 35 -2.507 -6.778 4.588
290 HB2 LYS 35 1HB LYS 35 -1.553 -5.540 6.331
291 HB3 LYS 35 2HB LYS 35 -0.536 -6.959 6.198
292 HG2 LYS 35 1HG LYS 35 1.184 -5.734 5.005
293 HG3 LYS 35 2HG LYS 35 0.129 -4.356 4.758
294 HD2 LYS 35 1HD LYS 35 1.258 -3.545 6.598
295 HD3 LYS 35 2HD LYS 35 0.026 -4.440 7.464
296 HE2 LYS 35 1HE LYS 35 1.690 -6.470 7.304
297 HE3 LYS 35 2HE LYS 35 2.898 -5.264 6.902
298 HZ1 LYS 35 1HZ LYS 35 2.988 -4.642 9.048
299 HZ2 LYS 35 2HZ LYS 35 1.375 -4.452 9.173
300 HZ3 LYS 35 3HZ LYS 35 2.039 -5.933 9.381
301 H ARG 36 H ARG 36 -3.038 -4.330 4.627
302 HA ARG 36 HA ARG 36 -1.743 -2.751 2.700
303 HB2 ARG 36 1HB ARG 36 -3.772 -2.532 1.165
304 HB3 ARG 36 2HB ARG 36 -2.938 -4.070 1.053
305 HG2 ARG 36 1HG ARG 36 -4.930 -5.077 1.465
306 HG3 ARG 36 2HG ARG 36 -4.803 -4.494 3.113
307 HD2 ARG 36 1HD ARG 36 -5.841 -2.558 1.052
308 HD3 ARG 36 2HD ARG 36 -6.902 -3.875 1.515
309 HE ARG 36 HE ARG 36 -6.352 -1.563 3.091
310 HH11 ARG 36 1HH ARG 36 -7.315 -2.814 6.185
311 HH12 ARG 36 1HH1 ARG 36 -7.309 -2.882 6.155
312 HH12 ARG 36 2HH1 ARG 36 -6.984 -1.441 5.247
313 HH21 ARG 36 1HH2 ARG 36 -7.098 -4.968 5.159
314 HH22 ARG 36 2HH2 ARG 36 -6.613 -5.073 3.500
315 H GLY 37 H GLY 37 -3.418 -0.722 2.203
316 HA2 GLY 37 1HA GLY 37 -5.444 -0.120 4.011
317 HA3 GLY 37 2HA GLY 37 -3.943 0.427 4.733
318 H CYS 38 H CYS 38 -5.534 2.473 4.290
319 HA CYS 38 HA CYS 38 -5.078 3.467 1.601
320 HB2 CYS 38 1HB CYS 38 -6.604 4.907 3.773
321 HB3 CYS 38 2HB CYS 38 -6.731 5.098 2.036
322 H ILE 39 H ILE 39 -4.313 5.848 1.467
323 HA ILE 39 HA ILE 39 -2.892 6.919 3.669
324 HB ILE 39 HB ILE 39 -1.438 4.983 2.941
325 HG12 ILE 39 1HG1 ILE 39 0.089 7.543 2.640
326 HG13 ILE 39 2HG1 ILE 39 -0.807 7.273 4.122
327 HG21 ILE 39 1HG2 ILE 39 -1.336 6.665 0.457
328 HG22 ILE 39 2HG2 ILE 39 0.083 5.710 0.948
329 HG23 ILE 39 3HG2 ILE 39 -1.470 4.900 0.635
330 HD11 ILE 39 1HD1 ILE 39 1.193 5.287 2.947
331 HD12 ILE 39 2HD1 ILE 39 1.562 6.446 4.245
332 HD13 ILE 39 3HD1 ILE 39 0.369 5.154 4.519
333 H ASP 40 H ASP 40 -1.386 8.819 2.703
334 HA ASP 40 HA ASP 40 -3.123 10.096 0.759
335 HB2 ASP 40 1HB ASP 40 -2.520 12.159 1.713
336 HB3 ASP 40 2HB ASP 40 -2.529 11.096 3.108
337 HD2 ASP 40 HD ASP 40 -0.709 10.986 4.221
338 H VAL 41 H VAL 41 0.226 9.112 1.557
339 HA VAL 41 HA VAL 41 0.982 9.694 -1.207
340 HB VAL 41 HB VAL 41 1.707 11.536 0.333
341 HG11 VAL 41 1HG1 VAL 41 2.318 10.693 2.373
342 HG12 VAL 41 2HG1 VAL 41 3.042 9.223 1.678
343 HG13 VAL 41 3HG1 VAL 41 3.921 10.768 1.605
344 HG21 VAL 41 1HG2 VAL 41 4.326 10.783 -0.425
345 HG22 VAL 41 2HG2 VAL 41 3.229 10.076 -1.636
346 HG23 VAL 41 3HG2 VAL 41 3.187 11.825 -1.311
347 H CYS 42 H CYS 42 2.471 8.201 -2.095
348 HA CYS 42 HA CYS 42 2.343 5.643 -0.986
349 HB2 CYS 42 1HB CYS 42 2.629 6.233 -3.430
350 HB3 CYS 42 2HB CYS 42 4.307 6.604 -3.089
351 HA PRO 43 HA PRO 43 5.674 6.229 1.832
352 HB2 PRO 43 1HB PRO 43 5.485 3.820 3.108
353 HB3 PRO 43 2HB PRO 43 4.527 5.218 3.553
354 HG2 PRO 43 1HG PRO 43 3.695 2.794 2.080
355 HG3 PRO 43 2HG PRO 43 2.696 3.980 2.894
356 HD2 PRO 43 1HD PRO 43 3.122 3.745 0.066
357 HD3 PRO 43 2HD PRO 43 2.215 4.999 0.889
358 H LYS 44 H LYS 44 7.764 5.186 2.498
359 HA LYS 44 HA LYS 44 9.020 4.363 0.091
360 HB2 LYS 44 1HB LYS 44 10.119 4.331 2.916
361 HB3 LYS 44 2HB LYS 44 11.041 4.301 1.426
362 HG2 LYS 44 1HG LYS 44 10.672 6.552 0.976
363 HG3 LYS 44 2HG LYS 44 9.089 6.560 1.728
364 HD2 LYS 44 1HD LYS 44 11.536 6.150 3.463
365 HD3 LYS 44 2HD LYS 44 11.151 7.765 2.906
366 HE2 LYS 44 1HE LYS 44 8.800 7.454 3.842
367 HE3 LYS 44 2HE LYS 44 9.323 5.924 4.520
368 HZ1 LYS 44 1HZ LYS 44 10.360 7.004 6.186
369 HZ2 LYS 44 2HZ LYS 44 11.131 8.039 5.192
370 HZ3 LYS 44 3HZ LYS 44 9.594 8.351 5.659
371 H ASN 45 H ASN 45 9.370 2.348 -0.713
372 HA ASN 45 HA ASN 45 8.067 0.206 0.564
373 HB2 ASN 45 1HB ASN 45 8.272 0.416 -1.925
374 HB3 ASN 45 2HB ASN 45 10.011 0.243 -1.805
375 HD21 ASN 45 1HD2 ASN 45 9.853 -1.558 -3.187
376 HD22 ASN 45 2HD2 ASN 45 9.377 -3.120 -2.612
377 H SER 46 H SER 46 9.341 -1.990 0.874
378 HA SER 46 HA SER 46 11.916 -1.338 2.081
379 HB2 SER 46 1HB SER 46 11.343 -3.539 3.437
380 HB3 SER 46 2HB SER 46 10.654 -2.001 3.919
381 HG SER 46 HG SER 46 8.697 -2.543 2.814
382 H LEU 47 H LEU 47 13.128 -3.723 2.416
383 HA LEU 47 HA LEU 47 13.330 -4.713 -0.320
384 HB2 LEU 47 1HB LEU 47 15.241 -5.574 1.769
385 HB3 LEU 47 2HB LEU 47 15.508 -5.155 0.088
386 HG LEU 47 HG LEU 47 14.951 -3.125 2.267
387 HD11 LEU 47 1HD1 LEU 47 17.052 -3.289 2.949
388 HD12 LEU 47 2HD1 LEU 47 17.316 -4.640 1.821
389 HD13 LEU 47 3HD1 LEU 47 17.630 -2.967 1.297
390 HD21 LEU 47 1HD2 LEU 47 14.468 -1.902 0.433
391 HD22 LEU 47 2HD2 LEU 47 16.240 -1.764 0.329
392 HD23 LEU 47 3HD2 LEU 47 15.380 -2.969 -0.661
393 H LEU 48 H LEU 48 11.888 -5.461 2.706
394 HA LEU 48 HA LEU 48 11.965 -8.326 2.161
395 HB2 LEU 48 1HB LEU 48 12.338 -7.029 4.462
396 HB3 LEU 48 2HB LEU 48 10.593 -7.178 4.537
397 HG LEU 48 HG LEU 48 11.632 -8.994 5.740
398 HD11 LEU 48 1HD1 LEU 48 10.700 -10.964 4.393
399 HD12 LEU 48 2HD1 LEU 48 9.579 -9.648 4.821
400 HD13 LEU 48 3HD1 LEU 48 10.243 -9.752 3.172
401 HD21 LEU 48 1HD2 LEU 48 13.692 -9.558 5.053
402 HD22 LEU 48 2HD2 LEU 48 12.838 -10.707 3.994
403 HD23 LEU 48 3HD2 LEU 48 13.360 -9.129 3.357
404 H VAL 49 H VAL 49 9.611 -5.639 2.802
405 HA VAL 49 HA VAL 49 7.596 -7.291 1.449
406 HB VAL 49 HB VAL 49 6.974 -4.881 3.117
407 HG11 VAL 49 1HG1 VAL 49 5.182 -5.944 1.819
408 HG12 VAL 49 2HG1 VAL 49 5.517 -7.500 2.616
409 HG13 VAL 49 3HG1 VAL 49 4.904 -6.125 3.568
410 HG21 VAL 49 1HG2 VAL 49 6.662 -6.876 4.933
411 HG22 VAL 49 2HG2 VAL 49 8.124 -7.436 4.086
412 HG23 VAL 49 3HG2 VAL 49 8.096 -5.825 4.842
413 H LYS 50 H LYS 50 6.553 -6.509 -0.375
414 HA LYS 50 HA LYS 50 7.800 -4.167 -1.554
415 HB2 LYS 50 1HB LYS 50 7.450 -6.472 -2.693
416 HB3 LYS 50 2HB LYS 50 5.782 -5.970 -2.884
417 HG2 LYS 50 1HG LYS 50 6.667 -5.128 -4.864
418 HG3 LYS 50 2HG LYS 50 6.881 -3.727 -3.833
419 HD2 LYS 50 1HD LYS 50 9.050 -3.852 -4.592
420 HD3 LYS 50 2HD LYS 50 9.218 -5.001 -3.280
421 HE2 LYS 50 1HE LYS 50 9.856 -6.539 -4.827
422 HE3 LYS 50 2HE LYS 50 8.196 -6.561 -5.389
423 HZ1 LYS 50 1HZ LYS 50 8.696 -5.012 -7.072
424 HZ2 LYS 50 2HZ LYS 50 10.080 -4.509 -6.379
425 HZ3 LYS 50 3HZ LYS 50 9.995 -6.006 -7.031
426 H TYR 51 H TYR 51 6.722 -2.258 -2.067
427 HA TYR 51 HA TYR 51 4.041 -2.046 -0.880
428 HB2 TYR 51 1HB TYR 51 6.495 -0.268 -1.269
429 HB3 TYR 51 2HB TYR 51 4.930 0.508 -1.123
430 HD1 TYR 51 1HD TYR 51 5.103 1.609 0.953
431 HD2 TYR 51 2HD TYR 51 6.116 -2.539 0.682
432 HE1 TYR 51 1HE TYR 51 5.278 1.479 3.486
433 HE2 TYR 51 2HE TYR 51 6.290 -2.654 3.216
434 HH TYR 51 HH TYR 51 6.843 -0.634 5.076
435 H VAL 52 H VAL 52 2.339 -1.616 -2.200
436 HA VAL 52 HA VAL 52 2.969 -0.486 -4.836
437 HB VAL 52 HB VAL 52 0.783 -2.499 -4.392
438 HG11 VAL 52 1HG1 VAL 52 1.727 -2.858 -6.920
439 HG12 VAL 52 2HG1 VAL 52 0.400 -1.752 -6.491
440 HG13 VAL 52 3HG1 VAL 52 2.055 -1.125 -6.684
441 HG21 VAL 52 1HG2 VAL 52 2.780 -3.627 -3.610
442 HG22 VAL 52 2HG2 VAL 52 2.341 -4.259 -5.216
443 HG23 VAL 52 3HG2 VAL 52 3.685 -3.103 -5.050
444 H CYS 53 H CYS 53 2.106 1.518 -4.928
445 HA CYS 53 HA CYS 53 -0.319 1.977 -3.365
446 HB2 CYS 53 1HB CYS 53 1.566 4.058 -4.511
447 HB3 CYS 53 2HB CYS 53 0.242 4.331 -3.396
448 H CYS 54 H CYS 54 -2.010 3.374 -4.442
449 HA CYS 54 HA CYS 54 -1.823 3.596 -7.300
450 HB2 CYS 54 1HB CYS 54 -4.155 2.375 -7.440
451 HB3 CYS 54 2HB CYS 54 -2.656 1.472 -7.543
452 H ASN 55 H ASN 55 -3.908 4.744 -8.116
453 HA ASN 55 HA ASN 55 -5.080 6.260 -5.923
454 HB2 ASN 55 1HB ASN 55 -4.900 8.319 -7.202
455 HB3 ASN 55 2HB ASN 55 -3.314 7.574 -7.234
456 HD21 ASN 55 1HD2 ASN 55 -5.048 9.356 -9.059
457 HD22 ASN 55 2HD2 ASN 55 -4.855 8.677 -10.640
458 H THR 56 H THR 56 -6.088 3.871 -7.315
459 HA THR 56 HA THR 56 -8.419 5.068 -8.648
460 HB THR 56 HB THR 56 -8.278 2.945 -10.148
461 HG1 THR 56 1HG THR 56 -6.136 2.003 -10.090
462 HG21 THR 56 1HG2 THR 56 -7.341 5.409 -10.684
463 HG22 THR 56 2HG2 THR 56 -5.769 4.587 -10.536
464 HG23 THR 56 3HG2 THR 56 -6.951 4.038 -11.750
465 H ASP 57 H ASP 57 -10.410 4.053 -8.290
466 HA ASP 57 HA ASP 57 -10.644 2.910 -5.785
467 HB2 ASP 57 1HB ASP 57 -12.635 2.586 -8.070
468 HB3 ASP 57 2HB ASP 57 -12.991 2.601 -6.354
469 HD2 ASP 57 HD ASP 57 -11.382 5.040 -5.871
470 H ARG 58 H ARG 58 -10.887 0.698 -5.127
471 HA ARG 58 HA ARG 58 -10.621 -1.444 -5.185
472 HB2 ARG 58 1HB ARG 58 -11.532 -1.562 -8.085
473 HB3 ARG 58 2HB ARG 58 -11.829 -2.727 -6.810
474 HG2 ARG 58 1HG ARG 58 -13.171 -0.850 -5.618
475 HG3 ARG 58 2HG ARG 58 -13.078 0.032 -7.129
476 HD2 ARG 58 1HD ARG 58 -14.005 -2.832 -7.266
477 HD3 ARG 58 2HD ARG 58 -15.113 -1.664 -6.573
478 HE ARG 58 HE ARG 58 -13.972 -0.683 -9.059
479 HH11 ARG 58 1HH ARG 58 -16.763 -1.375 -11.008
480 HH12 ARG 58 2HH1 ARG 58 -15.286 -0.554 -10.880
481 HH21 ARG 58 1HH2 ARG 58 -17.470 -2.730 -9.161
482 HH22 ARG 58 2HH2 ARG 58 -16.466 -2.837 -7.754
483 H CYS 59 H CYS 59 -8.395 0.297 -6.091
484 HA CYS 59 HA CYS 59 -7.136 -0.982 -8.289
485 HB2 CYS 59 1HB CYS 59 -5.271 0.480 -7.843
486 HB3 CYS 59 2HB CYS 59 -6.756 1.400 -7.701
487 H ASN 60 H ASN 60 -7.137 -1.227 -4.716
488 HA ASN 60 HA ASN 60 -5.014 -3.182 -4.862
489 HB2 ASN 60 1HB ASN 60 -5.088 -3.063 -2.353
490 HB3 ASN 60 2HB ASN 60 -4.851 -1.482 -3.073
491 HD21 ASN 60 1HD2 ASN 60 -5.697 -1.472 -0.594
492 HD22 ASN 60 2HD2 ASN 60 -7.371 -1.057 -0.440
493 H1 HOH 101 1H HOH 61 3.414 -12.257 -1.100
494 H2 HOH 101 2H HOH 61 2.332 -12.343 -0.045
Start of MODEL 14
1 H1 LEU 1 H LEU 1 -10.020 8.720 -3.016
2 HA LEU 1 HA LEU 1 -11.785 7.117 -4.232
3 HB2 LEU 1 1HB LEU 1 -8.903 7.257 -3.959
4 HB3 LEU 1 2HB LEU 1 -9.437 5.602 -4.181
5 HG LEU 1 HG LEU 1 -10.871 7.081 -6.091
6 HD11 LEU 1 1HD1 LEU 1 -9.553 9.014 -5.967
7 HD12 LEU 1 2HD1 LEU 1 -8.042 8.086 -5.799
8 HD13 LEU 1 3HD1 LEU 1 -8.901 8.113 -7.358
9 HD21 LEU 1 1HD2 LEU 1 -9.907 4.758 -6.209
10 HD22 LEU 1 2HD2 LEU 1 -9.714 5.742 -7.678
11 HD23 LEU 1 3HD2 LEU 1 -8.335 5.506 -6.578
12 H LYS 2 H LYS 2 -12.168 4.732 -4.171
13 HA LYS 2 HA LYS 2 -12.389 3.892 -1.373
14 HB2 LYS 2 1HB LYS 2 -14.016 3.225 -3.836
15 HB3 LYS 2 2HB LYS 2 -14.146 2.318 -2.341
16 HG2 LYS 2 1HG LYS 2 -14.969 4.197 -1.122
17 HG3 LYS 2 2HG LYS 2 -14.380 5.345 -2.308
18 HD2 LYS 2 1HD LYS 2 -16.648 5.309 -2.858
19 HD3 LYS 2 2HD LYS 2 -16.044 4.079 -3.952
20 HE2 LYS 2 1HE LYS 2 -16.876 2.295 -2.626
21 HE3 LYS 2 2HE LYS 2 -16.954 3.275 -1.175
22 HZ1 LYS 2 1HZ LYS 2 -18.631 4.113 -3.422
23 HZ2 LYS 2 2HZ LYS 2 -19.100 2.778 -2.617
24 HZ3 LYS 2 3HZ LYS 2 -18.886 4.183 -1.807
25 H CYS 3 H CYS 3 -11.686 1.817 -0.725
26 HA CYS 3 HA CYS 3 -10.353 0.222 -2.747
27 HB2 CYS 3 1HB CYS 3 -8.923 1.354 -0.323
28 HB3 CYS 3 2HB CYS 3 -8.322 0.001 -1.260
29 H ASN 4 H ASN 4 -9.878 -2.009 -1.857
30 HA ASN 4 HA ASN 4 -11.959 -2.687 0.008
31 HB2 ASN 4 1HB ASN 4 -10.040 -4.651 -1.314
32 HB3 ASN 4 2HB ASN 4 -11.680 -4.947 -0.773
33 HD21 ASN 4 1HD2 ASN 4 -9.668 -3.351 -3.163
34 HD22 ASN 4 2HD2 ASN 4 -10.859 -3.180 -4.409
35 H LYS 5 H LYS 5 -11.326 -4.488 1.703
36 HA LYS 5 HA LYS 5 -8.972 -3.548 3.089
37 HB2 LYS 5 1HB LYS 5 -10.918 -5.674 4.002
38 HB3 LYS 5 2HB LYS 5 -9.840 -4.699 4.981
39 HG2 LYS 5 1HG LYS 5 -11.491 -3.166 5.218
40 HG3 LYS 5 2HG LYS 5 -11.399 -2.834 3.501
41 HD2 LYS 5 1HD LYS 5 -12.967 -4.814 3.113
42 HD3 LYS 5 2HD LYS 5 -13.153 -4.938 4.851
43 HE2 LYS 5 1HE LYS 5 -13.556 -2.171 3.992
44 HE3 LYS 5 2HE LYS 5 -14.602 -3.243 3.084
45 HZ1 LYS 5 1HZ LYS 5 -14.426 -3.612 5.995
46 HZ2 LYS 5 2HZ LYS 5 -15.334 -2.385 5.426
47 HZ3 LYS 5 3HZ LYS 5 -15.650 -3.918 4.952
48 H LEU 6 H LEU 6 -8.963 -6.459 4.317
49 HA LEU 6 HA LEU 6 -6.680 -7.305 2.981
50 HB2 LEU 6 1HB LEU 6 -7.479 -7.848 5.317
51 HB3 LEU 6 2HB LEU 6 -8.554 -9.029 4.596
52 HG LEU 6 HG LEU 6 -6.449 -9.988 5.502
53 HD11 LEU 6 1HD1 LEU 6 -6.415 -10.424 2.530
54 HD12 LEU 6 2HD1 LEU 6 -6.244 -11.599 3.857
55 HD13 LEU 6 3HD1 LEU 6 -7.837 -10.894 3.492
56 HD21 LEU 6 1HD2 LEU 6 -5.067 -8.576 3.207
57 HD22 LEU 6 2HD2 LEU 6 -4.997 -8.050 4.906
58 HD23 LEU 6 3HD2 LEU 6 -4.331 -9.632 4.435
59 H VAL 7 H VAL 7 -10.153 -8.061 2.504
60 HA VAL 7 HA VAL 7 -9.365 -9.739 0.228
61 HB VAL 7 HB VAL 7 -11.863 -9.635 1.923
62 HG11 VAL 7 1HG1 VAL 7 -12.920 -11.194 0.514
63 HG12 VAL 7 2HG1 VAL 7 -12.237 -9.984 -0.598
64 HG13 VAL 7 3HG1 VAL 7 -11.419 -11.548 -0.374
65 HG21 VAL 7 1HG2 VAL 7 -9.900 -11.900 1.440
66 HG22 VAL 7 2HG2 VAL 7 -9.882 -10.827 2.860
67 HG23 VAL 7 3HG2 VAL 7 -11.278 -11.891 2.566
68 HA PRO 8 HA PRO 8 -10.881 -6.560 -2.299
69 HB2 PRO 8 1HB PRO 8 -10.837 -7.863 -4.701
70 HB3 PRO 8 2HB PRO 8 -9.419 -7.118 -3.987
71 HG2 PRO 8 1HG PRO 8 -10.117 -9.986 -4.159
72 HG3 PRO 8 2HG PRO 8 -8.556 -9.253 -3.848
73 HD2 PRO 8 1HD PRO 8 -10.294 -10.474 -1.919
74 HD3 PRO 8 2HD PRO 8 -8.787 -9.640 -1.594
75 H ILE 9 H ILE 9 -12.830 -7.636 -0.733
76 HA ILE 9 HA ILE 9 -14.975 -7.858 -2.726
77 HB ILE 9 HB ILE 9 -14.351 -10.003 -1.528
78 HG12 ILE 9 1HG1 ILE 9 -16.510 -9.537 -2.713
79 HG13 ILE 9 2HG1 ILE 9 -16.610 -10.738 -1.441
80 HG21 ILE 9 1HG2 ILE 9 -13.909 -9.292 0.681
81 HG22 ILE 9 2HG2 ILE 9 -15.467 -8.440 0.806
82 HG23 ILE 9 3HG2 ILE 9 -15.426 -10.219 0.759
83 HD11 ILE 9 1HD1 ILE 9 -17.078 -8.160 -0.241
84 HD12 ILE 9 2HD1 ILE 9 -18.101 -8.298 -1.691
85 HD13 ILE 9 3HD1 ILE 9 -18.211 -9.524 -0.406
86 H ALA 10 H ALA 10 -13.931 -6.837 0.568
87 HA ALA 10 HA ALA 10 -16.257 -5.050 0.633
88 HB1 ALA 10 1HB ALA 10 -16.134 -6.551 2.531
89 HB2 ALA 10 2HB ALA 10 -14.427 -6.135 2.809
90 HB3 ALA 10 3HB ALA 10 -15.695 -4.917 3.085
91 H TYR 11 H TYR 11 -15.949 -2.904 0.291
92 HA TYR 11 HA TYR 11 -13.377 -1.742 0.973
93 HB2 TYR 11 1HB TYR 11 -13.230 -0.799 -1.364
94 HB3 TYR 11 2HB TYR 11 -13.214 -2.551 -1.411
95 HD1 TYR 11 1HD TYR 11 -15.003 0.462 -2.374
96 HD2 TYR 11 2HD TYR 11 -15.281 -3.800 -2.097
97 HE1 TYR 11 1HE TYR 11 -16.985 0.479 -3.968
98 HE2 TYR 11 2HE TYR 11 -17.261 -3.767 -3.692
99 HH TYR 11 HH TYR 11 -18.429 -0.696 -5.053
100 H LYS 12 H LYS 12 -13.450 0.605 1.105
101 HA LYS 12 HA LYS 12 -16.074 1.802 0.774
102 HB2 LYS 12 1HB LYS 12 -16.234 2.607 3.022
103 HB3 LYS 12 2HB LYS 12 -16.045 0.866 3.079
104 HG2 LYS 12 1HG LYS 12 -13.578 1.172 3.491
105 HG3 LYS 12 2HG LYS 12 -13.812 2.908 3.498
106 HD2 LYS 12 1HD LYS 12 -13.920 2.416 5.791
107 HD3 LYS 12 2HD LYS 12 -15.618 2.428 5.357
108 HE2 LYS 12 1HE LYS 12 -14.835 -0.217 4.816
109 HE3 LYS 12 2HE LYS 12 -13.938 0.180 6.269
110 HZ1 LYS 12 1HZ LYS 12 -16.409 -0.658 6.418
111 HZ2 LYS 12 2HZ LYS 12 -15.878 0.471 7.465
112 HZ3 LYS 12 3HZ LYS 12 -16.731 0.923 6.144
113 H THR 13 H THR 13 -15.681 4.298 1.710
114 HA THR 13 HA THR 13 -13.559 5.239 -0.026
115 HB THR 13 HB THR 13 -16.056 6.294 1.269
116 HG1 THR 13 1HG THR 13 -14.602 6.955 -1.179
117 HG21 THR 13 1HG2 THR 13 -15.046 8.612 0.296
118 HG22 THR 13 2HG2 THR 13 -14.874 8.172 2.012
119 HG23 THR 13 3HG2 THR 13 -13.528 7.892 0.883
120 H CYS 14 H CYS 14 -11.810 6.550 0.577
121 HA CYS 14 HA CYS 14 -11.229 6.395 3.447
122 HB2 CYS 14 1HB CYS 14 -9.461 5.957 1.049
123 HB3 CYS 14 2HB CYS 14 -8.766 6.551 2.545
124 HA PRO 15 HA PRO 15 -11.465 10.755 2.207
125 HB2 PRO 15 1HB PRO 15 -13.044 11.623 4.262
126 HB3 PRO 15 2HB PRO 15 -13.681 11.128 2.707
127 HG2 PRO 15 1HG PRO 15 -13.739 9.676 5.280
128 HG3 PRO 15 2HG PRO 15 -14.714 9.411 3.849
129 HD2 PRO 15 1HD PRO 15 -12.477 7.839 4.715
130 HD3 PRO 15 2HD PRO 15 -13.380 7.646 3.225
131 H GLU 16 H GLU 16 -11.150 9.555 5.505
132 HA GLU 16 HA GLU 16 -9.932 11.577 6.683
133 HB2 GLU 16 1HB GLU 16 -9.244 8.618 6.804
134 HB3 GLU 16 2HB GLU 16 -8.500 9.781 7.883
135 HG2 GLU 16 1HG GLU 16 -10.400 10.021 9.139
136 HG3 GLU 16 2HG GLU 16 -11.441 10.080 7.731
137 HE2 GLU 16 HE GLU 16 -12.823 8.585 8.062
138 H GLY 17 H GLY 17 -8.671 12.967 5.389
139 HA2 GLY 17 1HA GLY 17 -6.995 13.489 3.885
140 HA3 GLY 17 2HA GLY 17 -6.084 13.045 5.315
141 H LYS 18 H LYS 18 -7.930 11.049 2.901
142 HA LYS 18 HA LYS 18 -5.406 9.835 2.093
143 HB2 LYS 18 1HB LYS 18 -7.702 8.401 3.414
144 HB3 LYS 18 2HB LYS 18 -6.681 7.569 2.258
145 HG2 LYS 18 1HG LYS 18 -4.758 7.749 3.606
146 HG3 LYS 18 2HG LYS 18 -5.355 9.158 4.459
147 HD2 LYS 18 1HD LYS 18 -6.938 7.825 5.736
148 HD3 LYS 18 2HD LYS 18 -6.657 6.415 4.733
149 HE2 LYS 18 1HE LYS 18 -4.331 6.241 5.547
150 HE3 LYS 18 2HE LYS 18 -4.502 7.731 6.454
151 HZ1 LYS 18 1HZ LYS 18 -6.286 6.622 7.754
152 HZ2 LYS 18 2HZ LYS 18 -6.020 5.227 6.955
153 HZ3 LYS 18 3HZ LYS 18 -4.831 5.882 7.868
154 H ASN 19 H ASN 19 -5.429 9.016 -0.046
155 HA ASN 19 HA ASN 19 -7.941 9.239 -1.447
156 HB2 ASN 19 1HB ASN 19 -6.384 11.430 -1.551
157 HB3 ASN 19 2HB ASN 19 -5.497 10.490 -2.736
158 HD21 ASN 19 1HD2 ASN 19 -6.310 12.475 -3.939
159 HD22 ASN 19 2HD2 ASN 19 -7.797 12.314 -4.814
160 H LEU 20 H LEU 20 -4.425 8.453 -1.339
161 HA LEU 20 HA LEU 20 -4.713 6.634 -3.588
162 HB2 LEU 20 1HB LEU 20 -2.287 7.422 -1.969
163 HB3 LEU 20 2HB LEU 20 -2.283 6.406 -3.397
164 HG LEU 20 HG LEU 20 -3.157 9.308 -3.341
165 HD11 LEU 20 1HD1 LEU 20 -0.706 8.523 -4.800
166 HD12 LEU 20 2HD1 LEU 20 -1.069 9.983 -3.849
167 HD13 LEU 20 3HD1 LEU 20 -0.605 8.476 -3.024
168 HD21 LEU 20 1HD2 LEU 20 -3.211 7.194 -5.420
169 HD22 LEU 20 2HD2 LEU 20 -4.243 8.628 -5.202
170 HD23 LEU 20 3HD2 LEU 20 -2.627 8.796 -5.930
171 H CYS 21 H CYS 21 -3.730 4.384 -3.330
172 HA CYS 21 HA CYS 21 -4.247 3.395 -0.625
173 HB2 CYS 21 1HB CYS 21 -5.316 2.293 -3.232
174 HB3 CYS 21 2HB CYS 21 -5.175 1.300 -1.794
175 H TYR 22 H TYR 22 -3.073 1.297 -0.203
176 HA TYR 22 HA TYR 22 -0.919 0.742 -2.091
177 HB2 TYR 22 1HB TYR 22 0.734 1.054 -0.300
178 HB3 TYR 22 2HB TYR 22 -0.269 2.492 -0.286
179 HD1 TYR 22 1HD TYR 22 -1.461 3.125 1.658
180 HD2 TYR 22 2HD TYR 22 0.221 -0.801 1.395
181 HE1 TYR 22 1HE TYR 22 -1.985 2.728 4.114
182 HE2 TYR 22 2HE TYR 22 -0.309 -1.184 3.851
183 HH TYR 22 HH TYR 22 -0.647 0.175 5.851
184 H LYS 23 H LYS 23 0.183 -1.336 -1.626
185 HA LYS 23 HA LYS 23 -1.212 -3.043 0.265
186 HB2 LYS 23 1HB LYS 23 -1.305 -4.800 -1.665
187 HB3 LYS 23 2HB LYS 23 -2.586 -3.621 -1.485
188 HG2 LYS 23 1HG LYS 23 -0.357 -2.601 -3.131
189 HG3 LYS 23 2HG LYS 23 -1.059 -4.060 -3.799
190 HD2 LYS 23 1HD LYS 23 -3.259 -2.445 -2.941
191 HD3 LYS 23 2HD LYS 23 -2.152 -1.362 -3.762
192 HE2 LYS 23 1HE LYS 23 -3.088 -4.020 -4.940
193 HE3 LYS 23 2HE LYS 23 -3.868 -2.488 -5.277
194 HZ1 LYS 23 1HZ LYS 23 -2.180 -1.880 -6.643
195 HZ2 LYS 23 2HZ LYS 23 -1.003 -2.448 -5.672
196 HZ3 LYS 23 3HZ LYS 23 -1.825 -3.477 -6.642
197 H MET 24 H MET 24 0.337 -3.984 1.471
198 HA MET 24 HA MET 24 2.998 -4.054 0.391
199 HB2 MET 24 1HB MET 24 1.726 -4.610 3.113
200 HB3 MET 24 2HB MET 24 3.409 -4.999 2.822
201 HG2 MET 24 1HG MET 24 3.628 -2.524 1.976
202 HG3 MET 24 2HG MET 24 2.085 -2.261 2.763
203 HE1 MET 24 1HE MET 24 2.893 -1.636 6.247
204 HE2 MET 24 2HE MET 24 1.972 -1.283 4.765
205 HE3 MET 24 3HE MET 24 1.774 -2.851 5.585
206 H PHE 25 H PHE 25 4.066 -5.872 -0.334
207 HA PHE 25 HA PHE 25 2.652 -8.416 0.056
208 HB2 PHE 25 1HB PHE 25 4.445 -7.390 -2.226
209 HB3 PHE 25 2HB PHE 25 3.700 -8.976 -2.193
210 HD1 PHE 25 1HD PHE 25 1.580 -9.290 -3.113
211 HD2 PHE 25 2HD PHE 25 2.860 -5.352 -2.180
212 HE1 PHE 25 1HE PHE 25 -0.449 -8.358 -4.258
213 HE2 PHE 25 2HE PHE 25 0.830 -4.422 -3.325
214 HZ PHE 25 HZ PHE 25 -0.801 -5.935 -4.351
215 H MET 26 H MET 26 3.863 -10.228 0.669
216 HA MET 26 HA MET 26 6.459 -9.573 1.710
217 HB2 MET 26 1HB MET 26 4.369 -11.134 2.616
218 HB3 MET 26 2HB MET 26 5.360 -12.370 1.868
219 HG2 MET 26 1HG MET 26 7.351 -11.355 3.204
220 HG3 MET 26 2HG MET 26 6.147 -10.464 4.113
221 HE1 MET 26 1HE MET 26 5.057 -12.642 6.710
222 HE2 MET 26 2HE MET 26 6.693 -11.943 6.638
223 HE3 MET 26 3HE MET 26 5.311 -11.043 5.969
224 H MET 27 H MET 27 8.390 -10.122 0.769
225 HA MET 27 HA MET 27 9.753 -10.779 -0.810
226 HB2 MET 27 1HB MET 27 8.197 -13.336 -0.178
227 HB3 MET 27 2HB MET 27 9.577 -13.365 -1.259
228 HG2 MET 27 1HG MET 27 10.352 -11.876 1.087
229 HG3 MET 27 2HG MET 27 9.564 -13.342 1.634
230 HE1 MET 27 1HE MET 27 12.851 -12.020 -0.452
231 HE2 MET 27 2HE MET 27 12.485 -11.837 1.281
232 HE3 MET 27 3HE MET 27 13.734 -12.989 0.751
233 H SER 28 H SER 28 9.329 -9.693 -2.730
234 HA SER 28 HA SER 28 8.723 -9.406 -4.793
235 HB2 SER 28 1HB SER 28 8.107 -12.372 -4.599
236 HB3 SER 28 2HB SER 28 7.775 -11.485 -6.073
237 HG SER 28 HG SER 28 9.831 -11.811 -6.549
238 H ASP 29 H ASP 29 6.832 -8.796 -6.068
239 HA ASP 29 HA ASP 29 4.473 -8.738 -4.417
240 HB2 ASP 29 1HB ASP 29 3.794 -7.334 -6.665
241 HB3 ASP 29 2HB ASP 29 4.597 -6.623 -5.280
242 HD2 ASP 29 HD ASP 29 4.639 -6.375 -8.267
243 H LEU 30 H LEU 30 5.865 -10.359 -7.193
244 HA LEU 30 HA LEU 30 3.783 -10.899 -8.835
245 HB2 LEU 30 1HB LEU 30 6.009 -12.721 -7.921
246 HB3 LEU 30 2HB LEU 30 4.941 -13.075 -9.265
247 HG LEU 30 HG LEU 30 6.374 -10.460 -9.323
248 HD11 LEU 30 1HD1 LEU 30 7.920 -12.519 -8.599
249 HD12 LEU 30 2HD1 LEU 30 7.916 -12.782 -10.359
250 HD13 LEU 30 3HD1 LEU 30 8.475 -11.228 -9.693
251 HD21 LEU 30 1HD2 LEU 30 6.027 -12.466 -11.548
252 HD22 LEU 30 2HD2 LEU 30 4.719 -11.362 -11.061
253 HD23 LEU 30 3HD2 LEU 30 6.265 -10.705 -11.649
254 H THR 31 H THR 31 4.280 -11.989 -5.510
255 HA THR 31 HA THR 31 2.071 -13.888 -5.763
256 HB THR 31 HB THR 31 2.850 -14.592 -3.501
257 HG1 THR 31 1HG THR 31 4.547 -13.301 -2.566
258 HG21 THR 31 1HG2 THR 31 5.404 -14.064 -5.062
259 HG22 THR 31 2HG2 THR 31 4.966 -15.494 -4.096
260 HG23 THR 31 3HG2 THR 31 4.211 -15.229 -5.685
261 H ILE 32 H ILE 32 0.556 -13.893 -3.730
262 HA ILE 32 HA ILE 32 -0.910 -11.515 -3.891
263 HB ILE 32 HB ILE 32 -1.139 -14.133 -2.708
264 HG12 ILE 32 1HG1 ILE 32 -3.665 -13.101 -2.868
265 HG13 ILE 32 2HG1 ILE 32 -2.818 -12.075 -4.008
266 HG21 ILE 32 1HG2 ILE 32 -1.020 -13.258 -0.543
267 HG22 ILE 32 2HG2 ILE 32 -1.908 -11.780 -0.987
268 HG23 ILE 32 3HG2 ILE 32 -2.764 -13.339 -0.888
269 HD11 ILE 32 1HD1 ILE 32 -2.955 -15.121 -4.027
270 HD12 ILE 32 2HD1 ILE 32 -3.617 -13.997 -5.238
271 HD13 ILE 32 3HD1 ILE 32 -1.855 -14.188 -5.070
272 HA PRO 33 HA PRO 33 0.940 -9.090 -0.839
273 HB2 PRO 33 1HB PRO 33 -1.114 -7.421 -0.154
274 HB3 PRO 33 2HB PRO 33 -0.134 -7.195 -1.589
275 HG2 PRO 33 1HG PRO 33 -2.899 -8.220 -1.373
276 HG3 PRO 33 2HG PRO 33 -2.066 -7.594 -2.783
277 HD2 PRO 33 1HD PRO 33 -2.586 -10.349 -2.181
278 HD3 PRO 33 2HD PRO 33 -1.653 -9.728 -3.529
279 H VAL 34 H VAL 34 0.506 -8.058 1.478
280 HA VAL 34 HA VAL 34 -0.609 -10.306 3.011
281 HB VAL 34 HB VAL 34 1.046 -9.912 4.680
282 HG11 VAL 34 1HG1 VAL 34 2.628 -11.064 3.588
283 HG12 VAL 34 2HG1 VAL 34 1.622 -10.853 2.135
284 HG13 VAL 34 3HG1 VAL 34 2.952 -9.719 2.468
285 HG21 VAL 34 1HG2 VAL 34 2.907 -8.111 3.808
286 HG22 VAL 34 2HG2 VAL 34 1.397 -7.343 3.263
287 HG23 VAL 34 3HG2 VAL 34 1.619 -7.750 4.982
288 H LYS 35 H LYS 35 -0.294 -6.776 2.558
289 HA LYS 35 HA LYS 35 -2.750 -6.439 4.032
290 HB2 LYS 35 1HB LYS 35 -0.148 -5.209 4.976
291 HB3 LYS 35 2HB LYS 35 -1.724 -4.604 5.442
292 HG2 LYS 35 1HG LYS 35 -2.284 -6.984 6.239
293 HG3 LYS 35 2HG LYS 35 -0.600 -7.390 5.977
294 HD2 LYS 35 1HD LYS 35 -1.101 -4.912 7.582
295 HD3 LYS 35 2HD LYS 35 -1.572 -6.418 8.344
296 HE2 LYS 35 1HE LYS 35 0.617 -7.208 8.480
297 HE3 LYS 35 2HE LYS 35 1.125 -6.379 7.023
298 HZ1 LYS 35 1HZ LYS 35 1.513 -5.506 9.615
299 HZ2 LYS 35 2HZ LYS 35 1.816 -4.651 8.262
300 HZ3 LYS 35 3HZ LYS 35 0.353 -4.537 8.987
301 H ARG 36 H ARG 36 -3.568 -4.137 3.776
302 HA ARG 36 HA ARG 36 -2.292 -2.528 1.863
303 HB2 ARG 36 1HB ARG 36 -3.977 -2.700 0.052
304 HB3 ARG 36 2HB ARG 36 -3.208 -4.253 0.315
305 HG2 ARG 36 1HG ARG 36 -5.296 -4.497 2.058
306 HG3 ARG 36 2HG ARG 36 -6.024 -3.401 0.901
307 HD2 ARG 36 1HD ARG 36 -6.560 -5.413 -0.131
308 HD3 ARG 36 2HD ARG 36 -4.999 -5.139 -0.880
309 HE ARG 36 HE ARG 36 -4.563 -6.528 1.578
310 HH11 ARG 36 1HH ARG 36 -4.591 -9.768 0.327
311 HH12 ARG 36 2HH1 ARG 36 -4.160 -8.741 1.605
312 HH21 ARG 36 1HH2 ARG 36 -5.674 -8.809 -1.584
313 HH22 ARG 36 2HH2 ARG 36 -5.988 -7.106 -1.615
314 H GLY 37 H GLY 37 -3.023 -0.413 2.172
315 HA2 GLY 37 1HA GLY 37 -5.710 -0.015 3.282
316 HA3 GLY 37 2HA GLY 37 -4.333 0.560 4.202
317 H CYS 38 H CYS 38 -5.641 2.668 3.765
318 HA CYS 38 HA CYS 38 -5.071 3.702 1.104
319 HB2 CYS 38 1HB CYS 38 -6.697 5.058 3.270
320 HB3 CYS 38 2HB CYS 38 -6.663 5.428 1.557
321 H ILE 39 H ILE 39 -3.939 5.791 0.902
322 HA ILE 39 HA ILE 39 -2.699 6.875 3.256
323 HB ILE 39 HB ILE 39 -1.313 4.869 2.594
324 HG12 ILE 39 1HG1 ILE 39 0.442 7.261 2.364
325 HG13 ILE 39 2HG1 ILE 39 -0.629 7.209 3.750
326 HG21 ILE 39 1HG2 ILE 39 -0.741 4.605 0.468
327 HG22 ILE 39 2HG2 ILE 39 -1.406 6.201 0.044
328 HG23 ILE 39 3HG2 ILE 39 0.281 6.057 0.595
329 HD11 ILE 39 1HD1 ILE 39 0.238 4.999 4.402
330 HD12 ILE 39 2HD1 ILE 39 1.250 4.943 2.939
331 HD13 ILE 39 3HD1 ILE 39 1.589 6.143 4.211
332 H ASP 40 H ASP 40 -1.403 8.872 2.673
333 HA ASP 40 HA ASP 40 -2.789 10.140 0.479
334 HB2 ASP 40 1HB ASP 40 -1.770 12.247 1.482
335 HB3 ASP 40 2HB ASP 40 -2.872 11.385 2.538
336 HD2 ASP 40 HD ASP 40 -1.354 12.961 3.819
337 H VAL 41 H VAL 41 0.417 9.103 1.656
338 HA VAL 41 HA VAL 41 1.537 9.833 -0.944
339 HB VAL 41 HB VAL 41 2.675 10.495 1.774
340 HG11 VAL 41 1HG1 VAL 41 4.745 10.286 0.975
341 HG12 VAL 41 2HG1 VAL 41 4.097 9.696 -0.575
342 HG13 VAL 41 3HG1 VAL 41 4.362 11.440 -0.326
343 HG21 VAL 41 1HG2 VAL 41 1.955 12.198 -0.634
344 HG22 VAL 41 2HG2 VAL 41 1.129 12.164 0.943
345 HG23 VAL 41 3HG2 VAL 41 2.790 12.792 0.821
346 H CYS 42 H CYS 42 2.848 8.253 -1.818
347 HA CYS 42 HA CYS 42 2.688 5.701 -0.684
348 HB2 CYS 42 1HB CYS 42 2.968 6.373 -3.158
349 HB3 CYS 42 2HB CYS 42 4.680 6.508 -2.811
350 HA PRO 43 HA PRO 43 6.110 6.261 2.032
351 HB2 PRO 43 1HB PRO 43 5.912 3.872 3.344
352 HB3 PRO 43 2HB PRO 43 4.993 5.293 3.798
353 HG2 PRO 43 1HG PRO 43 4.075 2.867 2.381
354 HG3 PRO 43 2HG PRO 43 3.121 4.082 3.208
355 HD2 PRO 43 1HD PRO 43 3.460 3.803 0.373
356 HD3 PRO 43 2HD PRO 43 2.602 5.085 1.205
357 H LYS 44 H LYS 44 8.144 5.016 2.744
358 HA LYS 44 HA LYS 44 9.378 4.250 0.300
359 HB2 LYS 44 1HB LYS 44 10.428 4.089 3.140
360 HB3 LYS 44 2HB LYS 44 11.380 3.983 1.673
361 HG2 LYS 44 1HG LYS 44 11.047 6.264 1.125
362 HG3 LYS 44 2HG LYS 44 9.597 6.394 2.102
363 HD2 LYS 44 1HD LYS 44 12.318 5.853 3.358
364 HD3 LYS 44 2HD LYS 44 11.774 7.484 3.024
365 HE2 LYS 44 1HE LYS 44 9.618 6.858 4.348
366 HE3 LYS 44 2HE LYS 44 10.499 5.445 4.892
367 HZ1 LYS 44 1HZ LYS 44 10.680 7.478 6.356
368 HZ2 LYS 44 2HZ LYS 44 12.114 6.825 5.942
369 HZ3 LYS 44 3HZ LYS 44 11.567 8.154 5.159
370 H ASN 45 H ASN 45 9.669 2.250 -0.575
371 HA ASN 45 HA ASN 45 8.226 0.131 0.582
372 HB2 ASN 45 1HB ASN 45 8.433 0.333 -1.866
373 HB3 ASN 45 2HB ASN 45 10.181 0.266 -1.770
374 HD21 ASN 45 1HD2 ASN 45 10.004 -1.484 -3.268
375 HD22 ASN 45 2HD2 ASN 45 9.673 -3.095 -2.725
376 H SER 46 H SER 46 9.135 -1.909 1.410
377 HA SER 46 HA SER 46 11.720 -1.495 2.609
378 HB2 SER 46 1HB SER 46 11.154 -3.498 3.956
379 HB3 SER 46 2HB SER 46 9.884 -2.293 4.037
380 HG SER 46 HG SER 46 9.489 -4.051 1.921
381 H LEU 47 H LEU 47 13.118 -3.672 2.762
382 HA LEU 47 HA LEU 47 13.544 -4.467 0.010
383 HB2 LEU 47 1HB LEU 47 15.579 -3.999 0.812
384 HB3 LEU 47 2HB LEU 47 15.122 -4.286 2.479
385 HG LEU 47 HG LEU 47 15.291 -6.723 0.815
386 HD11 LEU 47 1HD1 LEU 47 17.904 -5.460 1.612
387 HD12 LEU 47 2HD1 LEU 47 17.592 -6.809 0.493
388 HD13 LEU 47 3HD1 LEU 47 17.175 -5.145 0.019
389 HD21 LEU 47 1HD2 LEU 47 16.880 -6.499 3.276
390 HD22 LEU 47 2HD2 LEU 47 15.144 -6.166 3.491
391 HD23 LEU 47 3HD2 LEU 47 15.672 -7.712 2.785
392 H LEU 48 H LEU 48 12.131 -5.659 2.998
393 HA LEU 48 HA LEU 48 12.230 -8.405 2.073
394 HB2 LEU 48 1HB LEU 48 12.463 -7.405 4.513
395 HB3 LEU 48 2HB LEU 48 10.715 -7.523 4.486
396 HG LEU 48 HG LEU 48 11.626 -9.486 5.526
397 HD11 LEU 48 1HD1 LEU 48 10.524 -10.020 2.760
398 HD12 LEU 48 2HD1 LEU 48 10.738 -11.276 4.002
399 HD13 LEU 48 3HD1 LEU 48 9.632 -9.914 4.296
400 HD21 LEU 48 1HD2 LEU 48 13.855 -9.231 4.212
401 HD22 LEU 48 2HD2 LEU 48 13.303 -10.850 4.703
402 HD23 LEU 48 3HD2 LEU 48 13.075 -10.303 3.025
403 H VAL 49 H VAL 49 9.790 -5.823 2.787
404 HA VAL 49 HA VAL 49 7.838 -7.430 1.310
405 HB VAL 49 HB VAL 49 7.216 -4.955 2.886
406 HG11 VAL 49 1HG1 VAL 49 5.473 -6.009 1.477
407 HG12 VAL 49 2HG1 VAL 49 5.661 -7.519 2.401
408 HG13 VAL 49 3HG1 VAL 49 5.065 -6.049 3.209
409 HG21 VAL 49 1HG2 VAL 49 8.142 -5.894 4.714
410 HG22 VAL 49 2HG2 VAL 49 6.718 -6.962 4.684
411 HG23 VAL 49 3HG2 VAL 49 8.251 -7.502 3.957
412 H LYS 50 H LYS 50 6.398 -6.252 -0.228
413 HA LYS 50 HA LYS 50 7.913 -4.098 -1.531
414 HB2 LYS 50 1HB LYS 50 7.603 -6.422 -2.668
415 HB3 LYS 50 2HB LYS 50 5.957 -5.894 -2.953
416 HG2 LYS 50 1HG LYS 50 8.195 -3.992 -3.651
417 HG3 LYS 50 2HG LYS 50 7.924 -5.365 -4.705
418 HD2 LYS 50 1HD LYS 50 5.436 -4.664 -4.759
419 HD3 LYS 50 2HD LYS 50 5.931 -3.176 -3.978
420 HE2 LYS 50 1HE LYS 50 7.759 -3.479 -6.115
421 HE3 LYS 50 2HE LYS 50 6.222 -3.983 -6.789
422 HZ1 LYS 50 1HZ LYS 50 6.925 -1.360 -5.649
423 HZ2 LYS 50 2HZ LYS 50 6.178 -1.685 -7.059
424 HZ3 LYS 50 3HZ LYS 50 5.373 -1.881 -5.648
425 H TYR 51 H TYR 51 6.920 -2.148 -1.844
426 HA TYR 51 HA TYR 51 4.174 -1.966 -0.838
427 HB2 TYR 51 1HB TYR 51 6.619 -0.162 -1.192
428 HB3 TYR 51 2HB TYR 51 5.042 0.586 -1.035
429 HD1 TYR 51 1HD TYR 51 6.073 -2.509 0.741
430 HD2 TYR 51 2HD TYR 51 5.404 1.706 1.044
431 HE1 TYR 51 1HE TYR 51 6.251 -2.655 3.273
432 HE2 TYR 51 2HE TYR 51 5.585 1.546 3.575
433 HH TYR 51 HH TYR 51 5.915 0.266 5.276
434 H VAL 52 H VAL 52 2.579 -1.904 -2.337
435 HA VAL 52 HA VAL 52 3.245 -0.655 -4.913
436 HB VAL 52 HB VAL 52 1.067 -2.683 -4.500
437 HG11 VAL 52 1HG1 VAL 52 1.382 -3.087 -6.886
438 HG12 VAL 52 2HG1 VAL 52 1.104 -1.355 -6.586
439 HG13 VAL 52 3HG1 VAL 52 2.749 -1.948 -6.921
440 HG21 VAL 52 1HG2 VAL 52 2.751 -4.392 -5.354
441 HG22 VAL 52 2HG2 VAL 52 4.018 -3.219 -4.921
442 HG23 VAL 52 3HG2 VAL 52 2.942 -3.873 -3.663
443 H CYS 53 H CYS 53 2.412 1.368 -4.977
444 HA CYS 53 HA CYS 53 0.009 1.885 -3.435
445 HB2 CYS 53 1HB CYS 53 1.985 3.725 -4.813
446 HB3 CYS 53 2HB CYS 53 0.504 4.291 -4.068
447 H CYS 54 H CYS 54 -1.687 3.338 -4.597
448 HA CYS 54 HA CYS 54 -1.744 3.104 -7.447
449 HB2 CYS 54 1HB CYS 54 -4.122 1.973 -7.220
450 HB3 CYS 54 2HB CYS 54 -2.664 1.008 -7.334
451 H ASN 55 H ASN 55 -4.089 4.025 -8.157
452 HA ASN 55 HA ASN 55 -5.035 5.880 -6.155
453 HB2 ASN 55 1HB ASN 55 -4.956 7.768 -7.822
454 HB3 ASN 55 2HB ASN 55 -3.356 7.191 -7.398
455 HD21 ASN 55 1HD2 ASN 55 -2.224 7.590 -9.174
456 HD22 ASN 55 2HD2 ASN 55 -2.545 6.961 -10.756
457 H THR 56 H THR 56 -5.833 3.361 -7.844
458 HA THR 56 HA THR 56 -8.215 4.520 -9.136
459 HB THR 56 HB THR 56 -8.146 2.423 -10.519
460 HG1 THR 56 1HG THR 56 -6.430 0.964 -10.038
461 HG21 THR 56 1HG2 THR 56 -6.276 2.983 -11.886
462 HG22 THR 56 2HG2 THR 56 -6.653 4.527 -11.086
463 HG23 THR 56 3HG2 THR 56 -5.309 3.523 -10.492
464 H ASP 57 H ASP 57 -10.242 3.855 -8.560
465 HA ASP 57 HA ASP 57 -10.543 2.876 -6.007
466 HB2 ASP 57 1HB ASP 57 -12.577 2.699 -8.276
467 HB3 ASP 57 2HB ASP 57 -12.939 2.719 -6.561
468 HD2 ASP 57 HD ASP 57 -13.735 5.100 -6.126
469 H ARG 58 H ARG 58 -10.406 0.757 -5.244
470 HA ARG 58 HA ARG 58 -10.691 -1.411 -5.171
471 HB2 ARG 58 1HB ARG 58 -11.364 -1.553 -8.141
472 HB3 ARG 58 2HB ARG 58 -11.805 -2.696 -6.888
473 HG2 ARG 58 1HG ARG 58 -13.042 -0.584 -5.818
474 HG3 ARG 58 2HG ARG 58 -12.967 0.039 -7.456
475 HD2 ARG 58 1HD ARG 58 -15.064 -1.115 -7.321
476 HD3 ARG 58 2HD ARG 58 -14.014 -2.185 -8.230
477 HE ARG 58 HE ARG 58 -13.854 -2.745 -5.388
478 HH11 ARG 58 1HH ARG 58 -15.938 -5.523 -5.458
479 HH12 ARG 58 2HH1 ARG 58 -14.787 -4.630 -4.591
480 HH21 ARG 58 1HH2 ARG 58 -16.589 -4.731 -7.624
481 HH22 ARG 58 2HH2 ARG 58 -15.877 -3.280 -8.246
482 H CYS 59 H CYS 59 -8.246 0.083 -5.937
483 HA CYS 59 HA CYS 59 -6.906 -1.417 -7.940
484 HB2 CYS 59 1HB CYS 59 -4.996 -0.072 -7.442
485 HB3 CYS 59 2HB CYS 59 -6.401 0.974 -7.375
486 H ASN 60 H ASN 60 -7.067 -1.337 -4.335
487 HA ASN 60 HA ASN 60 -5.254 -3.587 -4.252
488 HB2 ASN 60 1HB ASN 60 -5.093 -3.152 -1.869
489 HB3 ASN 60 2HB ASN 60 -5.034 -1.590 -2.659
490 HD21 ASN 60 1HD2 ASN 60 -5.670 -1.620 -0.086
491 HD22 ASN 60 2HD2 ASN 60 -7.346 -1.286 0.192
492 H1 HOH 101 1H HOH 61 3.678 -12.386 -1.107
493 H2 HOH 101 2H HOH 61 2.521 -12.395 -0.132
Start of MODEL 15
1 H1 LEU 1 H LEU 1 -10.454 8.808 -2.802
2 HA LEU 1 HA LEU 1 -11.911 7.020 -4.243
3 HB2 LEU 1 1HB LEU 1 -9.707 7.662 -4.873
4 HB3 LEU 1 2HB LEU 1 -9.014 6.996 -3.408
5 HG LEU 1 HG LEU 1 -10.274 4.805 -4.574
6 HD11 LEU 1 1HD1 LEU 1 -8.781 5.280 -6.891
7 HD12 LEU 1 2HD1 LEU 1 -10.553 5.186 -6.743
8 HD13 LEU 1 3HD1 LEU 1 -9.734 6.763 -6.638
9 HD21 LEU 1 1HD2 LEU 1 -8.185 3.872 -4.554
10 HD22 LEU 1 2HD2 LEU 1 -7.394 5.343 -5.170
11 HD23 LEU 1 3HD2 LEU 1 -7.918 5.259 -3.471
12 H LYS 2 H LYS 2 -12.255 4.717 -4.149
13 HA LYS 2 HA LYS 2 -12.384 3.786 -1.375
14 HB2 LYS 2 1HB LYS 2 -13.996 3.120 -3.844
15 HB3 LYS 2 2HB LYS 2 -14.037 2.120 -2.407
16 HG2 LYS 2 1HG LYS 2 -14.743 4.075 -1.039
17 HG3 LYS 2 2HG LYS 2 -14.647 5.114 -2.446
18 HD2 LYS 2 1HD LYS 2 -16.364 2.642 -2.640
19 HD3 LYS 2 2HD LYS 2 -16.964 3.979 -1.680
20 HE2 LYS 2 1HE LYS 2 -15.855 4.742 -4.348
21 HE3 LYS 2 2HE LYS 2 -17.304 3.759 -4.403
22 HZ1 LYS 2 1HZ LYS 2 -17.457 5.893 -2.469
23 HZ2 LYS 2 2HZ LYS 2 -17.285 6.436 -3.994
24 HZ3 LYS 2 3HZ LYS 2 -18.509 5.415 -3.628
25 H CYS 3 H CYS 3 -11.642 1.667 -0.823
26 HA CYS 3 HA CYS 3 -10.158 0.276 -2.888
27 HB2 CYS 3 1HB CYS 3 -8.840 1.159 -0.298
28 HB3 CYS 3 2HB CYS 3 -8.129 0.106 -1.504
29 H ASN 4 H ASN 4 -9.590 -1.979 -2.114
30 HA ASN 4 HA ASN 4 -11.710 -2.892 -0.405
31 HB2 ASN 4 1HB ASN 4 -9.588 -4.380 -2.040
32 HB3 ASN 4 2HB ASN 4 -10.838 -5.187 -1.115
33 HD21 ASN 4 1HD2 ASN 4 -10.081 -3.257 -3.895
34 HD22 ASN 4 2HD2 ASN 4 -11.596 -3.389 -4.723
35 H LYS 5 H LYS 5 -10.992 -4.832 1.161
36 HA LYS 5 HA LYS 5 -8.738 -3.816 2.705
37 HB2 LYS 5 1HB LYS 5 -10.733 -5.919 3.560
38 HB3 LYS 5 2HB LYS 5 -9.688 -4.938 4.568
39 HG2 LYS 5 1HG LYS 5 -11.339 -3.397 4.734
40 HG3 LYS 5 2HG LYS 5 -11.188 -3.083 3.016
41 HD2 LYS 5 1HD LYS 5 -13.413 -3.737 3.063
42 HD3 LYS 5 2HD LYS 5 -12.676 -5.307 2.813
43 HE2 LYS 5 1HE LYS 5 -12.908 -4.449 5.670
44 HE3 LYS 5 2HE LYS 5 -14.430 -4.745 4.852
45 HZ1 LYS 5 1HZ LYS 5 -13.948 -6.880 5.434
46 HZ2 LYS 5 2HZ LYS 5 -13.039 -6.891 4.083
47 HZ3 LYS 5 3HZ LYS 5 -12.341 -6.584 5.532
48 H LEU 6 H LEU 6 -8.731 -6.675 3.969
49 HA LEU 6 HA LEU 6 -6.447 -7.569 2.701
50 HB2 LEU 6 1HB LEU 6 -6.814 -8.265 4.886
51 HB3 LEU 6 2HB LEU 6 -8.447 -8.809 4.556
52 HG LEU 6 HG LEU 6 -6.780 -10.392 2.920
53 HD11 LEU 6 1HD1 LEU 6 -5.694 -10.993 5.562
54 HD12 LEU 6 2HD1 LEU 6 -4.881 -10.877 3.983
55 HD13 LEU 6 3HD1 LEU 6 -5.171 -9.408 4.945
56 HD21 LEU 6 1HD2 LEU 6 -8.943 -10.743 4.516
57 HD22 LEU 6 2HD2 LEU 6 -7.989 -12.068 3.808
58 HD23 LEU 6 3HD2 LEU 6 -7.686 -11.549 5.483
59 H VAL 7 H VAL 7 -9.844 -7.929 1.850
60 HA VAL 7 HA VAL 7 -8.994 -9.643 -0.377
61 HB VAL 7 HB VAL 7 -11.549 -9.787 1.236
62 HG11 VAL 7 1HG1 VAL 7 -11.881 -10.171 -1.209
63 HG12 VAL 7 2HG1 VAL 7 -10.706 -11.506 -1.120
64 HG13 VAL 7 3HG1 VAL 7 -12.232 -11.600 -0.207
65 HG21 VAL 7 1HG2 VAL 7 -9.360 -11.864 0.906
66 HG22 VAL 7 2HG2 VAL 7 -9.511 -10.776 2.305
67 HG23 VAL 7 3HG2 VAL 7 -10.793 -11.960 1.957
68 HA PRO 8 HA PRO 8 -10.726 -6.415 -2.695
69 HB2 PRO 8 1HB PRO 8 -10.622 -7.561 -5.174
70 HB3 PRO 8 2HB PRO 8 -9.247 -6.776 -4.422
71 HG2 PRO 8 1HG PRO 8 -9.772 -9.665 -4.768
72 HG3 PRO 8 2HG PRO 8 -8.255 -8.859 -4.421
73 HD2 PRO 8 1HD PRO 8 -9.897 -10.302 -2.565
74 HD3 PRO 8 2HD PRO 8 -8.443 -9.398 -2.194
75 H ILE 9 H ILE 9 -12.591 -7.710 -1.190
76 HA ILE 9 HA ILE 9 -14.731 -7.972 -3.187
77 HB ILE 9 HB ILE 9 -14.040 -10.123 -2.133
78 HG12 ILE 9 1HG1 ILE 9 -16.469 -10.667 -1.374
79 HG13 ILE 9 2HG1 ILE 9 -16.830 -9.021 -1.853
80 HG21 ILE 9 1HG2 ILE 9 -13.856 -8.707 0.194
81 HG22 ILE 9 2HG2 ILE 9 -15.427 -9.521 0.393
82 HG23 ILE 9 3HG2 ILE 9 -13.960 -10.480 0.078
83 HD11 ILE 9 1HD1 ILE 9 -15.384 -10.963 -3.701
84 HD12 ILE 9 2HD1 ILE 9 -17.157 -10.809 -3.663
85 HD13 ILE 9 3HD1 ILE 9 -16.152 -9.416 -4.130
86 H ALA 10 H ALA 10 -13.619 -6.812 0.007
87 HA ALA 10 HA ALA 10 -16.052 -5.159 0.109
88 HB1 ALA 10 1HB ALA 10 -16.153 -6.645 1.955
89 HB2 ALA 10 2HB ALA 10 -14.409 -6.497 2.279
90 HB3 ALA 10 3HB ALA 10 -15.498 -5.132 2.628
91 H TYR 11 H TYR 11 -15.664 -3.049 -0.317
92 HA TYR 11 HA TYR 11 -13.101 -1.949 0.583
93 HB2 TYR 11 1HB TYR 11 -13.100 -0.731 -1.671
94 HB3 TYR 11 2HB TYR 11 -12.930 -2.466 -1.844
95 HD1 TYR 11 1HD TYR 11 -14.960 0.431 -2.613
96 HD2 TYR 11 2HD TYR 11 -14.938 -3.846 -2.521
97 HE1 TYR 11 1HE TYR 11 -16.973 0.380 -4.164
98 HE2 TYR 11 2HE TYR 11 -16.951 -3.883 -4.073
99 HH TYR 11 HH TYR 11 -18.465 -2.709 -5.081
100 H LYS 12 H LYS 12 -13.169 0.252 1.201
101 HA LYS 12 HA LYS 12 -15.815 1.499 1.052
102 HB2 LYS 12 1HB LYS 12 -15.798 2.099 3.340
103 HB3 LYS 12 2HB LYS 12 -15.443 0.385 3.281
104 HG2 LYS 12 1HG LYS 12 -13.466 0.715 4.341
105 HG3 LYS 12 2HG LYS 12 -12.941 1.818 3.083
106 HD2 LYS 12 1HD LYS 12 -12.900 3.147 5.051
107 HD3 LYS 12 2HD LYS 12 -14.393 3.616 4.265
108 HE2 LYS 12 1HE LYS 12 -15.499 1.723 5.725
109 HE3 LYS 12 2HE LYS 12 -14.030 1.805 6.677
110 HZ1 LYS 12 1HZ LYS 12 -14.744 3.709 7.609
111 HZ2 LYS 12 2HZ LYS 12 -15.049 4.420 6.175
112 HZ3 LYS 12 3HZ LYS 12 -16.176 3.450 6.858
113 H THR 13 H THR 13 -15.508 3.946 1.853
114 HA THR 13 HA THR 13 -13.431 4.988 0.119
115 HB THR 13 HB THR 13 -15.999 5.908 1.375
116 HG1 THR 13 1HG THR 13 -16.180 6.559 -0.839
117 HG21 THR 13 1HG2 THR 13 -15.094 8.270 0.373
118 HG22 THR 13 2HG2 THR 13 -14.964 7.870 2.103
119 HG23 THR 13 3HG2 THR 13 -13.562 7.644 1.029
120 H CYS 14 H CYS 14 -11.740 6.356 0.713
121 HA CYS 14 HA CYS 14 -11.204 6.317 3.595
122 HB2 CYS 14 1HB CYS 14 -9.383 5.853 1.245
123 HB3 CYS 14 2HB CYS 14 -8.732 6.535 2.722
124 HA PRO 15 HA PRO 15 -11.570 10.620 2.195
125 HB2 PRO 15 1HB PRO 15 -13.222 11.502 4.187
126 HB3 PRO 15 2HB PRO 15 -13.808 10.931 2.639
127 HG2 PRO 15 1HG PRO 15 -13.867 9.567 5.261
128 HG3 PRO 15 2HG PRO 15 -14.804 9.219 3.820
129 HD2 PRO 15 1HD PRO 15 -12.530 7.759 4.785
130 HD3 PRO 15 2HD PRO 15 -13.395 7.482 3.287
131 H GLU 16 H GLU 16 -11.265 9.532 5.531
132 HA GLU 16 HA GLU 16 -10.165 11.622 6.689
133 HB2 GLU 16 1HB GLU 16 -10.468 9.214 7.570
134 HB3 GLU 16 2HB GLU 16 -8.871 8.880 6.934
135 HG2 GLU 16 1HG GLU 16 -7.811 10.394 8.430
136 HG3 GLU 16 2HG GLU 16 -9.290 11.280 8.739
137 HE2 GLU 16 HE GLU 16 -8.507 8.927 11.502
138 H GLY 17 H GLY 17 -8.981 13.068 5.379
139 HA2 GLY 17 1HA GLY 17 -7.322 13.674 3.891
140 HA3 GLY 17 2HA GLY 17 -6.398 13.293 5.331
141 H LYS 18 H LYS 18 -8.122 11.139 2.967
142 HA LYS 18 HA LYS 18 -5.531 10.096 2.137
143 HB2 LYS 18 1HB LYS 18 -7.707 8.491 3.482
144 HB3 LYS 18 2HB LYS 18 -6.556 7.744 2.393
145 HG2 LYS 18 1HG LYS 18 -4.711 8.201 3.799
146 HG3 LYS 18 2HG LYS 18 -5.519 9.532 4.603
147 HD2 LYS 18 1HD LYS 18 -6.896 8.067 5.909
148 HD3 LYS 18 2HD LYS 18 -6.572 6.693 4.871
149 HE2 LYS 18 1HE LYS 18 -4.033 7.147 5.613
150 HE3 LYS 18 2HE LYS 18 -4.799 7.943 6.973
151 HZ1 LYS 18 1HZ LYS 18 -6.169 5.761 7.109
152 HZ2 LYS 18 2HZ LYS 18 -4.984 5.104 6.207
153 HZ3 LYS 18 3HZ LYS 18 -4.623 5.793 7.646
154 H ASN 19 H ASN 19 -5.548 9.180 0.026
155 HA ASN 19 HA ASN 19 -8.096 9.215 -1.325
156 HB2 ASN 19 1HB ASN 19 -6.665 11.485 -1.536
157 HB3 ASN 19 2HB ASN 19 -5.758 10.556 -2.713
158 HD21 ASN 19 1HD2 ASN 19 -6.652 12.373 -4.034
159 HD22 ASN 19 2HD2 ASN 19 -8.168 12.132 -4.837
160 H LEU 20 H LEU 20 -4.558 8.589 -1.218
161 HA LEU 20 HA LEU 20 -4.758 6.725 -3.437
162 HB2 LEU 20 1HB LEU 20 -2.364 7.580 -1.805
163 HB3 LEU 20 2HB LEU 20 -2.335 6.604 -3.260
164 HG LEU 20 HG LEU 20 -3.254 9.488 -3.100
165 HD11 LEU 20 1HD1 LEU 20 -1.108 10.039 -3.185
166 HD12 LEU 20 2HD1 LEU 20 -0.624 8.330 -3.290
167 HD13 LEU 20 3HD1 LEU 20 -1.004 9.239 -4.772
168 HD21 LEU 20 1HD2 LEU 20 -4.365 8.965 -4.973
169 HD22 LEU 20 2HD2 LEU 20 -2.759 8.966 -5.740
170 HD23 LEU 20 3HD2 LEU 20 -3.483 7.435 -5.191
171 H CYS 21 H CYS 21 -3.787 4.504 -3.164
172 HA CYS 21 HA CYS 21 -4.201 3.541 -0.433
173 HB2 CYS 21 1HB CYS 21 -5.393 2.431 -2.980
174 HB3 CYS 21 2HB CYS 21 -5.159 1.425 -1.565
175 H TYR 22 H TYR 22 -3.032 1.411 -0.068
176 HA TYR 22 HA TYR 22 -0.946 0.860 -2.027
177 HB2 TYR 22 1HB TYR 22 0.772 1.157 -0.285
178 HB3 TYR 22 2HB TYR 22 -0.203 2.613 -0.276
179 HD1 TYR 22 1HD TYR 22 -1.357 3.300 1.677
180 HD2 TYR 22 2HD TYR 22 0.300 -0.639 1.472
181 HE1 TYR 22 1HE TYR 22 -1.821 2.968 4.154
182 HE2 TYR 22 2HE TYR 22 -0.170 -0.958 3.951
183 HH TYR 22 HH TYR 22 -0.975 1.629 5.979
184 H LYS 23 H LYS 23 0.089 -1.238 -1.700
185 HA LYS 23 HA LYS 23 -1.226 -2.934 0.275
186 HB2 LYS 23 1HB LYS 23 -1.419 -4.700 -1.586
187 HB3 LYS 23 2HB LYS 23 -2.625 -3.432 -1.516
188 HG2 LYS 23 1HG LYS 23 -0.742 -2.229 -3.125
189 HG3 LYS 23 2HG LYS 23 -0.491 -3.911 -3.551
190 HD2 LYS 23 1HD LYS 23 -2.297 -3.770 -4.915
191 HD3 LYS 23 2HD LYS 23 -3.304 -3.622 -3.488
192 HE2 LYS 23 1HE LYS 23 -2.154 -1.404 -5.215
193 HE3 LYS 23 2HE LYS 23 -3.830 -1.696 -4.798
194 HZ1 LYS 23 1HZ LYS 23 -3.007 -1.267 -2.391
195 HZ2 LYS 23 2HZ LYS 23 -1.717 -0.556 -3.088
196 HZ3 LYS 23 3HZ LYS 23 -3.225 -0.011 -3.418
197 H MET 24 H MET 24 0.287 -4.019 1.410
198 HA MET 24 HA MET 24 2.951 -4.056 0.289
199 HB2 MET 24 1HB MET 24 1.703 -4.388 3.038
200 HB3 MET 24 2HB MET 24 3.301 -5.057 2.773
201 HG2 MET 24 1HG MET 24 4.244 -2.999 2.948
202 HG3 MET 24 2HG MET 24 3.236 -2.385 1.653
203 HE1 MET 24 1HE MET 24 3.702 -1.525 5.635
204 HE2 MET 24 2HE MET 24 2.422 -2.684 6.061
205 HE3 MET 24 3HE MET 24 3.819 -3.217 5.096
206 H PHE 25 H PHE 25 4.015 -5.912 -0.368
207 HA PHE 25 HA PHE 25 2.536 -8.417 0.036
208 HB2 PHE 25 1HB PHE 25 4.426 -7.450 -2.194
209 HB3 PHE 25 2HB PHE 25 3.690 -9.039 -2.159
210 HD1 PHE 25 1HD PHE 25 1.245 -9.278 -2.488
211 HD2 PHE 25 2HD PHE 25 3.189 -5.530 -2.911
212 HE1 PHE 25 1HE PHE 25 -0.748 -8.383 -3.726
213 HE2 PHE 25 2HE PHE 25 1.197 -4.635 -4.149
214 HZ PHE 25 HZ PHE 25 -0.747 -6.073 -4.542
215 H MET 26 H MET 26 3.731 -10.314 0.552
216 HA MET 26 HA MET 26 6.187 -9.717 1.888
217 HB2 MET 26 1HB MET 26 4.059 -11.562 2.193
218 HB3 MET 26 2HB MET 26 5.398 -12.567 1.675
219 HG2 MET 26 1HG MET 26 6.822 -11.536 3.502
220 HG3 MET 26 2HG MET 26 5.420 -10.639 4.049
221 HE1 MET 26 1HE MET 26 6.911 -14.471 5.193
222 HE2 MET 26 2HE MET 26 6.285 -14.883 3.578
223 HE3 MET 26 3HE MET 26 7.401 -13.511 3.777
224 H MET 27 H MET 27 8.265 -10.336 1.277
225 HA MET 27 HA MET 27 9.893 -11.006 0.004
226 HB2 MET 27 1HB MET 27 7.798 -13.063 -0.875
227 HB3 MET 27 2HB MET 27 9.458 -13.134 -1.433
228 HG2 MET 27 1HG MET 27 9.224 -12.822 1.511
229 HG3 MET 27 2HG MET 27 8.496 -14.298 0.911
230 HE1 MET 27 1HE MET 27 11.378 -16.398 1.359
231 HE2 MET 27 2HE MET 27 11.034 -15.224 2.653
232 HE3 MET 27 3HE MET 27 9.697 -15.934 1.716
233 H SER 28 H SER 28 7.180 -11.792 -2.282
234 HA SER 28 HA SER 28 8.235 -9.675 -3.985
235 HB2 SER 28 1HB SER 28 7.416 -12.507 -4.709
236 HB3 SER 28 2HB SER 28 7.405 -11.236 -5.914
237 HG SER 28 HG SER 28 9.755 -11.504 -4.324
238 H ASP 29 H ASP 29 6.565 -8.819 -5.573
239 HA ASP 29 HA ASP 29 4.105 -8.516 -4.172
240 HB2 ASP 29 1HB ASP 29 3.612 -7.131 -6.380
241 HB3 ASP 29 2HB ASP 29 4.727 -6.508 -5.180
242 HD2 ASP 29 HD ASP 29 7.485 -6.730 -7.156
243 H LEU 30 H LEU 30 5.431 -10.224 -7.013
244 HA LEU 30 HA LEU 30 3.235 -10.736 -8.518
245 HB2 LEU 30 1HB LEU 30 5.553 -12.536 -7.813
246 HB3 LEU 30 2HB LEU 30 4.377 -12.911 -9.056
247 HG LEU 30 HG LEU 30 5.781 -10.276 -9.213
248 HD11 LEU 30 1HD1 LEU 30 7.479 -11.771 -10.682
249 HD12 LEU 30 2HD1 LEU 30 7.777 -11.304 -8.991
250 HD13 LEU 30 3HD1 LEU 30 7.120 -12.915 -9.365
251 HD21 LEU 30 1HD2 LEU 30 3.923 -11.277 -10.776
252 HD22 LEU 30 2HD2 LEU 30 5.294 -10.369 -11.456
253 HD23 LEU 30 3HD2 LEU 30 5.295 -12.149 -11.500
254 H THR 31 H THR 31 3.987 -11.905 -5.266
255 HA THR 31 HA THR 31 1.819 -13.851 -5.396
256 HB THR 31 HB THR 31 2.720 -14.491 -3.156
257 HG1 THR 31 1HG THR 31 4.295 -13.096 -2.255
258 HG21 THR 31 1HG2 THR 31 5.182 -13.907 -4.839
259 HG22 THR 31 2HG2 THR 31 4.828 -15.339 -3.843
260 HG23 THR 31 3HG2 THR 31 3.997 -15.111 -5.401
261 H ILE 32 H ILE 32 0.415 -13.894 -3.269
262 HA ILE 32 HA ILE 32 -1.196 -11.621 -3.405
263 HB ILE 32 HB ILE 32 -1.153 -14.182 -2.066
264 HG12 ILE 32 1HG1 ILE 32 -3.752 -13.386 -2.149
265 HG13 ILE 32 2HG1 ILE 32 -3.066 -12.334 -3.372
266 HG21 ILE 32 1HG2 ILE 32 -2.026 -11.784 -0.460
267 HG22 ILE 32 2HG2 ILE 32 -2.729 -13.399 -0.207
268 HG23 ILE 32 3HG2 ILE 32 -0.984 -13.141 0.026
269 HD11 ILE 32 1HD1 ILE 32 -3.903 -14.707 -4.092
270 HD12 ILE 32 2HD1 ILE 32 -2.333 -14.144 -4.713
271 HD13 ILE 32 3HD1 ILE 32 -2.392 -15.292 -3.355
272 HA PRO 33 HA PRO 33 0.723 -8.935 -0.623
273 HB2 PRO 33 1HB PRO 33 -1.365 -7.316 0.070
274 HB3 PRO 33 2HB PRO 33 -0.471 -7.138 -1.426
275 HG2 PRO 33 1HG PRO 33 -3.173 -8.262 -1.003
276 HG3 PRO 33 2HG PRO 33 -2.442 -7.689 -2.490
277 HD2 PRO 33 1HD PRO 33 -2.805 -10.423 -1.698
278 HD3 PRO 33 2HD PRO 33 -1.971 -9.848 -3.129
279 H VAL 34 H VAL 34 0.948 -8.168 1.599
280 HA VAL 34 HA VAL 34 -0.128 -10.253 3.327
281 HB VAL 34 HB VAL 34 1.529 -9.170 4.946
282 HG11 VAL 34 1HG1 VAL 34 2.271 -10.671 2.438
283 HG12 VAL 34 2HG1 VAL 34 3.511 -10.226 3.635
284 HG13 VAL 34 3HG1 VAL 34 2.144 -11.260 4.113
285 HG21 VAL 34 1HG2 VAL 34 2.904 -8.074 2.514
286 HG22 VAL 34 2HG2 VAL 34 1.653 -7.096 3.319
287 HG23 VAL 34 3HG2 VAL 34 3.089 -7.629 4.227
288 H LYS 35 H LYS 35 -0.236 -6.747 2.680
289 HA LYS 35 HA LYS 35 -2.671 -6.534 4.120
290 HB2 LYS 35 1HB LYS 35 -1.890 -4.881 5.796
291 HB3 LYS 35 2HB LYS 35 -1.280 -6.500 6.077
292 HG2 LYS 35 1HG LYS 35 0.850 -5.822 4.833
293 HG3 LYS 35 2HG LYS 35 0.237 -4.180 4.797
294 HD2 LYS 35 1HD LYS 35 0.729 -3.816 7.001
295 HD3 LYS 35 2HD LYS 35 0.101 -5.375 7.497
296 HE2 LYS 35 1HE LYS 35 2.660 -5.430 5.933
297 HE3 LYS 35 2HE LYS 35 2.760 -4.746 7.543
298 HZ1 LYS 35 1HZ LYS 35 2.560 -6.793 8.423
299 HZ2 LYS 35 2HZ LYS 35 1.229 -7.154 7.557
300 HZ3 LYS 35 3HZ LYS 35 2.712 -7.375 6.901
301 H ARG 36 H ARG 36 -3.399 -4.119 4.096
302 HA ARG 36 HA ARG 36 -2.041 -2.472 2.259
303 HB2 ARG 36 1HB ARG 36 -3.846 -2.408 0.522
304 HB3 ARG 36 2HB ARG 36 -3.085 -3.984 0.611
305 HG2 ARG 36 1HG ARG 36 -5.513 -3.499 2.334
306 HG3 ARG 36 2HG ARG 36 -5.764 -3.699 0.612
307 HD2 ARG 36 1HD ARG 36 -3.930 -5.702 1.868
308 HD3 ARG 36 2HD ARG 36 -5.601 -5.790 2.389
309 HE ARG 36 HE ARG 36 -5.699 -5.556 -0.415
310 HH11 ARG 36 1HH ARG 36 -5.410 -8.894 -1.333
311 HH12 ARG 36 2HH1 ARG 36 -5.885 -7.330 -1.786
312 HH21 ARG 36 1HH2 ARG 36 -4.504 -9.214 0.861
313 HH22 ARG 36 2HH2 ARG 36 -4.356 -7.854 1.925
314 H GLY 37 H GLY 37 -3.001 -0.302 2.202
315 HA2 GLY 37 1HA GLY 37 -5.464 0.153 3.668
316 HA3 GLY 37 2HA GLY 37 -4.009 0.722 4.461
317 H CYS 38 H CYS 38 -5.455 2.800 4.039
318 HA CYS 38 HA CYS 38 -4.990 3.799 1.347
319 HB2 CYS 38 1HB CYS 38 -6.531 5.245 3.505
320 HB3 CYS 38 2HB CYS 38 -6.640 5.434 1.766
321 H ILE 39 H ILE 39 -3.864 5.860 1.044
322 HA ILE 39 HA ILE 39 -2.589 7.048 3.331
323 HB ILE 39 HB ILE 39 -1.204 5.021 2.674
324 HG12 ILE 39 1HG1 ILE 39 0.476 7.481 2.440
325 HG13 ILE 39 2HG1 ILE 39 -0.533 7.317 3.863
326 HG21 ILE 39 1HG2 ILE 39 -0.565 4.754 0.571
327 HG22 ILE 39 2HG2 ILE 39 -1.370 6.276 0.117
328 HG23 ILE 39 3HG2 ILE 39 0.331 6.291 0.642
329 HD11 ILE 39 1HD1 ILE 39 1.509 5.275 2.872
330 HD12 ILE 39 2HD1 ILE 39 1.675 6.331 4.295
331 HD13 ILE 39 3HD1 ILE 39 0.445 5.044 4.280
332 H ASP 40 H ASP 40 -1.192 8.978 2.554
333 HA ASP 40 HA ASP 40 -2.691 10.175 0.379
334 HB2 ASP 40 1HB ASP 40 -2.759 11.537 2.339
335 HB3 ASP 40 2HB ASP 40 -1.069 11.255 2.704
336 HD2 ASP 40 HD ASP 40 -3.135 13.491 1.219
337 H VAL 41 H VAL 41 0.548 9.212 1.536
338 HA VAL 41 HA VAL 41 1.618 9.895 -1.104
339 HB VAL 41 HB VAL 41 2.221 11.607 0.618
340 HG11 VAL 41 1HG1 VAL 41 2.390 10.218 2.593
341 HG12 VAL 41 2HG1 VAL 41 3.708 9.270 1.862
342 HG13 VAL 41 3HG1 VAL 41 3.969 10.980 2.282
343 HG21 VAL 41 1HG2 VAL 41 4.883 10.858 0.156
344 HG22 VAL 41 2HG2 VAL 41 3.963 10.152 -1.195
345 HG23 VAL 41 3HG2 VAL 41 3.864 11.899 -0.867
346 H CYS 42 H CYS 42 2.924 8.314 -2.005
347 HA CYS 42 HA CYS 42 2.708 5.746 -0.916
348 HB2 CYS 42 1HB CYS 42 2.997 6.446 -3.378
349 HB3 CYS 42 2HB CYS 42 4.711 6.556 -3.032
350 HA PRO 43 HA PRO 43 6.140 6.163 1.804
351 HB2 PRO 43 1HB PRO 43 5.932 3.726 3.023
352 HB3 PRO 43 2HB PRO 43 5.018 5.132 3.531
353 HG2 PRO 43 1HG PRO 43 4.090 2.767 2.019
354 HG3 PRO 43 2HG PRO 43 3.142 3.954 2.892
355 HD2 PRO 43 1HD PRO 43 3.481 3.785 0.049
356 HD3 PRO 43 2HD PRO 43 2.628 5.037 0.930
357 H LYS 44 H LYS 44 8.194 4.957 2.433
358 HA LYS 44 HA LYS 44 9.366 4.189 -0.053
359 HB2 LYS 44 1HB LYS 44 10.489 4.213 2.764
360 HB3 LYS 44 2HB LYS 44 11.422 3.963 1.303
361 HG2 LYS 44 1HG LYS 44 10.689 6.208 0.457
362 HG3 LYS 44 2HG LYS 44 9.773 6.458 1.930
363 HD2 LYS 44 1HD LYS 44 12.743 5.820 2.043
364 HD3 LYS 44 2HD LYS 44 12.192 7.460 1.769
365 HE2 LYS 44 1HE LYS 44 10.972 7.487 3.886
366 HE3 LYS 44 2HE LYS 44 11.234 5.771 4.124
367 HZ1 LYS 44 1HZ LYS 44 13.537 6.140 4.490
368 HZ2 LYS 44 2HZ LYS 44 13.506 7.662 3.910
369 HZ3 LYS 44 3HZ LYS 44 12.750 7.312 5.319
370 H ASN 45 H ASN 45 9.728 2.169 -0.866
371 HA ASN 45 HA ASN 45 8.373 0.044 0.390
372 HB2 ASN 45 1HB ASN 45 8.553 0.222 -2.084
373 HB3 ASN 45 2HB ASN 45 10.299 0.114 -1.992
374 HD21 ASN 45 1HD2 ASN 45 10.504 -1.710 -3.188
375 HD22 ASN 45 2HD2 ASN 45 9.985 -3.283 -2.682
376 H SER 46 H SER 46 9.593 -2.174 0.706
377 HA SER 46 HA SER 46 12.226 -1.607 1.828
378 HB2 SER 46 1HB SER 46 11.772 -3.248 3.588
379 HB3 SER 46 2HB SER 46 10.514 -2.027 3.586
380 HG SER 46 HG SER 46 9.039 -3.458 2.771
381 H LEU 47 H LEU 47 13.376 -3.966 2.215
382 HA LEU 47 HA LEU 47 13.352 -5.164 -0.435
383 HB2 LEU 47 1HB LEU 47 15.519 -4.801 -0.027
384 HB3 LEU 47 2HB LEU 47 15.305 -4.750 1.710
385 HG LEU 47 HG LEU 47 15.183 -7.261 1.708
386 HD11 LEU 47 1HD1 LEU 47 15.031 -8.421 -0.173
387 HD12 LEU 47 2HD1 LEU 47 15.006 -6.898 -1.092
388 HD13 LEU 47 3HD1 LEU 47 16.553 -7.717 -0.769
389 HD21 LEU 47 1HD2 LEU 47 17.822 -6.893 0.557
390 HD22 LEU 47 2HD2 LEU 47 17.388 -5.556 1.648
391 HD23 LEU 47 3HD2 LEU 47 17.342 -7.235 2.236
392 H LEU 48 H LEU 48 11.919 -5.607 2.624
393 HA LEU 48 HA LEU 48 11.876 -8.510 2.353
394 HB2 LEU 48 1HB LEU 48 11.352 -6.556 4.539
395 HB3 LEU 48 2HB LEU 48 10.482 -8.077 4.576
396 HG LEU 48 HG LEU 48 12.594 -8.021 5.919
397 HD11 LEU 48 1HD1 LEU 48 13.408 -10.243 5.142
398 HD12 LEU 48 2HD1 LEU 48 11.640 -10.142 5.324
399 HD13 LEU 48 3HD1 LEU 48 12.374 -10.073 3.703
400 HD21 LEU 48 1HD2 LEU 48 14.733 -8.349 4.616
401 HD22 LEU 48 2HD2 LEU 48 13.853 -7.767 3.183
402 HD23 LEU 48 3HD2 LEU 48 14.054 -6.704 4.597
403 H VAL 49 H VAL 49 9.574 -5.728 2.764
404 HA VAL 49 HA VAL 49 7.579 -7.398 1.400
405 HB VAL 49 HB VAL 49 6.918 -4.969 3.022
406 HG11 VAL 49 1HG1 VAL 49 5.178 -6.086 1.662
407 HG12 VAL 49 2HG1 VAL 49 5.460 -7.595 2.566
408 HG13 VAL 49 3HG1 VAL 49 4.825 -6.160 3.405
409 HG21 VAL 49 1HG2 VAL 49 6.552 -6.892 4.875
410 HG22 VAL 49 2HG2 VAL 49 7.992 -7.544 4.057
411 HG23 VAL 49 3HG2 VAL 49 8.033 -5.912 4.766
412 H LYS 50 H LYS 50 6.577 -6.624 -0.454
413 HA LYS 50 HA LYS 50 7.894 -4.342 -1.656
414 HB2 LYS 50 1HB LYS 50 7.644 -6.454 -2.907
415 HB3 LYS 50 2HB LYS 50 5.902 -6.325 -2.793
416 HG2 LYS 50 1HG LYS 50 6.625 -5.460 -4.968
417 HG3 LYS 50 2HG LYS 50 5.985 -4.139 -4.013
418 HD2 LYS 50 1HD LYS 50 8.168 -3.274 -3.526
419 HD3 LYS 50 2HD LYS 50 8.959 -4.765 -3.994
420 HE2 LYS 50 1HE LYS 50 9.155 -4.040 -6.134
421 HE3 LYS 50 2HE LYS 50 7.420 -3.823 -6.255
422 HZ1 LYS 50 1HZ LYS 50 9.043 -1.793 -4.859
423 HZ2 LYS 50 2HZ LYS 50 8.938 -1.762 -6.483
424 HZ3 LYS 50 3HZ LYS 50 7.579 -1.665 -5.578
425 H TYR 51 H TYR 51 6.971 -2.356 -2.024
426 HA TYR 51 HA TYR 51 4.284 -2.015 -0.892
427 HB2 TYR 51 1HB TYR 51 6.820 -0.357 -1.306
428 HB3 TYR 51 2HB TYR 51 5.294 0.486 -1.129
429 HD1 TYR 51 1HD TYR 51 5.775 1.599 0.933
430 HD2 TYR 51 2HD TYR 51 6.148 -2.654 0.655
431 HE1 TYR 51 1HE TYR 51 5.986 1.444 3.462
432 HE2 TYR 51 2HE TYR 51 6.359 -2.794 3.185
433 HH TYR 51 HH TYR 51 7.255 -0.850 5.026
434 H VAL 52 H VAL 52 2.614 -1.655 -2.262
435 HA VAL 52 HA VAL 52 3.270 -0.443 -4.854
436 HB VAL 52 HB VAL 52 1.124 -2.516 -4.481
437 HG11 VAL 52 1HG1 VAL 52 1.791 -0.823 -6.583
438 HG12 VAL 52 2HG1 VAL 52 2.531 -2.376 -7.040
439 HG13 VAL 52 3HG1 VAL 52 0.789 -2.291 -6.685
440 HG21 VAL 52 1HG2 VAL 52 4.074 -2.952 -4.949
441 HG22 VAL 52 2HG2 VAL 52 2.984 -3.771 -3.805
442 HG23 VAL 52 3HG2 VAL 52 2.858 -4.104 -5.550
443 H CYS 53 H CYS 53 2.269 1.483 -5.089
444 HA CYS 53 HA CYS 53 -0.018 1.992 -3.361
445 HB2 CYS 53 1HB CYS 53 1.872 3.837 -4.843
446 HB3 CYS 53 2HB CYS 53 0.391 4.404 -4.098
447 H CYS 54 H CYS 54 -1.741 3.510 -4.501
448 HA CYS 54 HA CYS 54 -1.965 3.138 -7.325
449 HB2 CYS 54 1HB CYS 54 -4.289 2.036 -7.040
450 HB3 CYS 54 2HB CYS 54 -2.862 1.024 -6.946
451 H ASN 55 H ASN 55 -4.328 4.077 -7.949
452 HA ASN 55 HA ASN 55 -5.198 5.989 -5.984
453 HB2 ASN 55 1HB ASN 55 -5.050 7.880 -7.657
454 HB3 ASN 55 2HB ASN 55 -3.477 7.277 -7.174
455 HD21 ASN 55 1HD2 ASN 55 -3.551 8.668 -9.408
456 HD22 ASN 55 2HD2 ASN 55 -3.381 7.686 -10.825
457 H THR 56 H THR 56 -6.092 3.502 -7.604
458 HA THR 56 HA THR 56 -8.447 4.735 -8.876
459 HB THR 56 HB THR 56 -8.369 2.830 -10.470
460 HG1 THR 56 1HG THR 56 -7.300 1.124 -9.535
461 HG21 THR 56 1HG2 THR 56 -6.739 4.910 -10.746
462 HG22 THR 56 2HG2 THR 56 -5.477 3.741 -10.284
463 HG23 THR 56 3HG2 THR 56 -6.465 3.457 -11.737
464 H ASP 57 H ASP 57 -10.472 3.843 -8.475
465 HA ASP 57 HA ASP 57 -10.797 2.798 -5.957
466 HB2 ASP 57 1HB ASP 57 -12.710 2.448 -8.309
467 HB3 ASP 57 2HB ASP 57 -13.138 2.445 -6.610
468 HD2 ASP 57 HD ASP 57 -13.687 4.885 -5.861
469 H ARG 58 H ARG 58 -10.716 0.666 -5.180
470 HA ARG 58 HA ARG 58 -10.674 -1.502 -5.134
471 HB2 ARG 58 1HB ARG 58 -11.347 -1.741 -8.091
472 HB3 ARG 58 2HB ARG 58 -11.744 -2.857 -6.800
473 HG2 ARG 58 1HG ARG 58 -13.164 -0.916 -5.792
474 HG3 ARG 58 2HG ARG 58 -12.975 -0.128 -7.345
475 HD2 ARG 58 1HD ARG 58 -13.779 -2.949 -7.645
476 HD3 ARG 58 2HD ARG 58 -14.926 -2.047 -6.675
477 HE ARG 58 HE ARG 58 -14.410 -0.368 -8.839
478 HH11 ARG 58 1HH ARG 58 -16.525 -1.657 -11.274
479 HH12 ARG 58 2HH1 ARG 58 -15.626 -0.327 -10.731
480 HH21 ARG 58 1HH2 ARG 58 -16.493 -3.661 -9.958
481 HH22 ARG 58 2HH2 ARG 58 -15.560 -3.702 -8.499
482 H CYS 59 H CYS 59 -8.354 0.147 -5.854
483 HA CYS 59 HA CYS 59 -6.925 -1.165 -7.922
484 HB2 CYS 59 1HB CYS 59 -5.028 0.212 -7.187
485 HB3 CYS 59 2HB CYS 59 -6.479 1.171 -7.400
486 H ASN 60 H ASN 60 -6.996 -1.224 -4.304
487 HA ASN 60 HA ASN 60 -5.085 -3.387 -4.350
488 HB2 ASN 60 1HB ASN 60 -4.922 -3.052 -1.944
489 HB3 ASN 60 2HB ASN 60 -4.920 -1.461 -2.679
490 HD21 ASN 60 1HD2 ASN 60 -5.526 -1.546 -0.122
491 HD22 ASN 60 2HD2 ASN 60 -7.212 -1.295 0.186
492 H1 HOH 101 1H HOH 61 3.566 -12.579 -0.684
493 H2 HOH 101 2H HOH 61 2.263 -12.523 0.082
Start of MODEL 16
1 H1 LEU 1 H LEU 1 -10.564 8.875 -3.087
2 HA LEU 1 HA LEU 1 -12.215 7.232 -3.871
3 HB2 LEU 1 1HB LEU 1 -10.754 6.088 -5.223
4 HB3 LEU 1 2HB LEU 1 -9.856 7.533 -4.800
5 HG LEU 1 HG LEU 1 -9.388 5.222 -3.016
6 HD11 LEU 1 1HD1 LEU 1 -8.925 5.053 -5.965
7 HD12 LEU 1 2HD1 LEU 1 -7.700 4.378 -4.863
8 HD13 LEU 1 3HD1 LEU 1 -9.378 3.786 -4.798
9 HD21 LEU 1 1HD2 LEU 1 -7.110 5.979 -3.107
10 HD22 LEU 1 2HD2 LEU 1 -7.467 7.042 -4.489
11 HD23 LEU 1 3HD2 LEU 1 -8.174 7.390 -2.894
12 H LYS 2 H LYS 2 -12.242 4.617 -3.990
13 HA LYS 2 HA LYS 2 -12.582 3.822 -1.198
14 HB2 LYS 2 1HB LYS 2 -13.894 3.060 -3.785
15 HB3 LYS 2 2HB LYS 2 -13.866 1.895 -2.476
16 HG2 LYS 2 1HG LYS 2 -15.020 3.406 -0.974
17 HG3 LYS 2 2HG LYS 2 -14.790 4.767 -2.053
18 HD2 LYS 2 1HD LYS 2 -16.287 3.764 -3.730
19 HD3 LYS 2 2HD LYS 2 -16.421 2.292 -2.788
20 HE2 LYS 2 1HE LYS 2 -17.335 5.049 -1.834
21 HE3 LYS 2 2HE LYS 2 -18.397 3.823 -2.498
22 HZ1 LYS 2 1HZ LYS 2 -18.065 3.950 0.058
23 HZ2 LYS 2 2HZ LYS 2 -18.108 2.477 -0.635
24 HZ3 LYS 2 3HZ LYS 2 -16.668 3.158 -0.260
25 H CYS 3 H CYS 3 -11.216 2.396 -0.258
26 HA CYS 3 HA CYS 3 -9.378 1.012 -2.068
27 HB2 CYS 3 1HB CYS 3 -8.951 1.621 0.874
28 HB3 CYS 3 2HB CYS 3 -7.781 0.952 -0.247
29 H ASN 4 H ASN 4 -8.952 -1.269 -1.630
30 HA ASN 4 HA ASN 4 -11.232 -2.514 -0.387
31 HB2 ASN 4 1HB ASN 4 -8.885 -3.753 -1.921
32 HB3 ASN 4 2HB ASN 4 -10.344 -4.600 -1.445
33 HD21 ASN 4 1HD2 ASN 4 -9.627 -4.604 -4.030
34 HD22 ASN 4 2HD2 ASN 4 -10.683 -3.633 -4.999
35 H LYS 5 H LYS 5 -10.682 -4.611 0.962
36 HA LYS 5 HA LYS 5 -8.555 -3.891 2.821
37 HB2 LYS 5 1HB LYS 5 -10.737 -5.967 3.153
38 HB3 LYS 5 2HB LYS 5 -9.682 -5.323 4.396
39 HG2 LYS 5 1HG LYS 5 -11.043 -3.537 4.725
40 HG3 LYS 5 2HG LYS 5 -10.999 -3.120 3.023
41 HD2 LYS 5 1HD LYS 5 -12.729 -4.993 2.642
42 HD3 LYS 5 2HD LYS 5 -12.884 -5.095 4.385
43 HE2 LYS 5 1HE LYS 5 -13.093 -2.342 3.221
44 HE3 LYS 5 2HE LYS 5 -14.406 -3.434 2.830
45 HZ1 LYS 5 1HZ LYS 5 -13.903 -3.752 5.548
46 HZ2 LYS 5 2HZ LYS 5 -13.904 -2.144 5.294
47 HZ3 LYS 5 3HZ LYS 5 -15.184 -3.044 4.817
48 H LEU 6 H LEU 6 -8.474 -6.746 3.801
49 HA LEU 6 HA LEU 6 -6.225 -7.552 2.409
50 HB2 LEU 6 1HB LEU 6 -6.718 -8.239 4.667
51 HB3 LEU 6 2HB LEU 6 -8.149 -9.103 4.141
52 HG LEU 6 HG LEU 6 -6.002 -10.176 2.643
53 HD11 LEU 6 1HD1 LEU 6 -4.307 -10.744 4.140
54 HD12 LEU 6 2HD1 LEU 6 -4.622 -9.027 4.488
55 HD13 LEU 6 3HD1 LEU 6 -5.273 -10.287 5.564
56 HD21 LEU 6 1HD2 LEU 6 -6.922 -11.681 5.013
57 HD22 LEU 6 2HD2 LEU 6 -8.207 -11.091 3.932
58 HD23 LEU 6 3HD2 LEU 6 -6.911 -12.129 3.290
59 H VAL 7 H VAL 7 -9.686 -8.122 1.813
60 HA VAL 7 HA VAL 7 -8.904 -9.731 -0.520
61 HB VAL 7 HB VAL 7 -11.396 -9.797 1.188
62 HG11 VAL 7 1HG1 VAL 7 -11.803 -10.057 -1.306
63 HG12 VAL 7 2HG1 VAL 7 -10.825 -11.542 -1.223
64 HG13 VAL 7 3HG1 VAL 7 -12.333 -11.415 -0.284
65 HG21 VAL 7 1HG2 VAL 7 -9.348 -11.968 0.639
66 HG22 VAL 7 2HG2 VAL 7 -9.365 -10.940 2.091
67 HG23 VAL 7 3HG2 VAL 7 -10.725 -12.042 1.765
68 HA PRO 8 HA PRO 8 -10.549 -6.426 -2.798
69 HB2 PRO 8 1HB PRO 8 -10.480 -7.553 -5.287
70 HB3 PRO 8 2HB PRO 8 -9.084 -6.810 -4.533
71 HG2 PRO 8 1HG PRO 8 -9.683 -9.682 -4.903
72 HG3 PRO 8 2HG PRO 8 -8.145 -8.917 -4.553
73 HD2 PRO 8 1HD PRO 8 -9.818 -10.334 -2.704
74 HD3 PRO 8 2HD PRO 8 -8.339 -9.471 -2.330
75 H ILE 9 H ILE 9 -12.442 -7.680 -1.298
76 HA ILE 9 HA ILE 9 -14.592 -7.883 -3.290
77 HB ILE 9 HB ILE 9 -13.990 -10.056 -2.275
78 HG12 ILE 9 1HG1 ILE 9 -16.398 -10.515 -1.416
79 HG13 ILE 9 2HG1 ILE 9 -16.716 -8.845 -1.839
80 HG21 ILE 9 1HG2 ILE 9 -13.425 -8.882 -0.011
81 HG22 ILE 9 2HG2 ILE 9 -15.154 -9.132 0.332
82 HG23 ILE 9 3HG2 ILE 9 -14.105 -10.527 -0.021
83 HD11 ILE 9 1HD1 ILE 9 -17.195 -10.596 -3.663
84 HD12 ILE 9 2HD1 ILE 9 -16.194 -9.209 -4.153
85 HD13 ILE 9 3HD1 ILE 9 -15.431 -10.780 -3.807
86 H ALA 10 H ALA 10 -13.597 -6.948 0.049
87 HA ALA 10 HA ALA 10 -15.935 -5.170 0.105
88 HB1 ALA 10 1HB ALA 10 -14.812 -7.025 1.999
89 HB2 ALA 10 2HB ALA 10 -14.684 -5.377 2.661
90 HB3 ALA 10 3HB ALA 10 -16.269 -6.014 2.158
91 H TYR 11 H TYR 11 -15.640 -2.957 0.442
92 HA TYR 11 HA TYR 11 -12.999 -1.979 1.076
93 HB2 TYR 11 1HB TYR 11 -13.083 -0.580 -1.092
94 HB3 TYR 11 2HB TYR 11 -12.850 -2.294 -1.370
95 HD1 TYR 11 1HD TYR 11 -15.108 0.543 -1.795
96 HD2 TYR 11 2HD TYR 11 -14.710 -3.693 -2.241
97 HE1 TYR 11 1HE TYR 11 -17.144 0.505 -3.317
98 HE2 TYR 11 2HE TYR 11 -16.747 -3.718 -3.761
99 HH TYR 11 HH TYR 11 -18.291 -2.559 -4.715
100 H LYS 12 H LYS 12 -12.998 0.359 1.512
101 HA LYS 12 HA LYS 12 -15.690 1.483 1.749
102 HB2 LYS 12 1HB LYS 12 -13.921 0.683 3.929
103 HB3 LYS 12 2HB LYS 12 -14.325 2.385 4.010
104 HG2 LYS 12 1HG LYS 12 -16.624 0.613 3.342
105 HG3 LYS 12 2HG LYS 12 -15.940 0.337 4.932
106 HD2 LYS 12 1HD LYS 12 -16.549 3.163 4.003
107 HD3 LYS 12 2HD LYS 12 -17.829 2.152 4.643
108 HE2 LYS 12 1HE LYS 12 -15.219 2.571 6.157
109 HE3 LYS 12 2HE LYS 12 -16.567 3.679 6.324
110 HZ1 LYS 12 1HZ LYS 12 -17.612 1.115 6.610
111 HZ2 LYS 12 2HZ LYS 12 -16.259 1.135 7.516
112 HZ3 LYS 12 3HZ LYS 12 -17.410 2.273 7.747
113 H THR 13 H THR 13 -15.391 3.956 2.439
114 HA THR 13 HA THR 13 -13.548 5.024 0.454
115 HB THR 13 HB THR 13 -16.077 5.861 1.851
116 HG1 THR 13 1HG THR 13 -15.979 5.095 -0.369
117 HG21 THR 13 1HG2 THR 13 -15.422 8.191 0.620
118 HG22 THR 13 2HG2 THR 13 -15.112 7.927 2.352
119 HG23 THR 13 3HG2 THR 13 -13.798 7.710 1.171
120 H CYS 14 H CYS 14 -11.731 6.168 0.858
121 HA CYS 14 HA CYS 14 -11.186 6.677 3.693
122 HB2 CYS 14 1HB CYS 14 -9.399 5.561 1.539
123 HB3 CYS 14 2HB CYS 14 -8.708 6.451 2.882
124 HA PRO 15 HA PRO 15 -11.128 10.579 1.372
125 HB2 PRO 15 1HB PRO 15 -12.691 12.032 3.077
126 HB3 PRO 15 2HB PRO 15 -13.327 11.189 1.679
127 HG2 PRO 15 1HG PRO 15 -13.527 10.452 4.535
128 HG3 PRO 15 2HG PRO 15 -14.489 9.884 3.184
129 HD2 PRO 15 1HD PRO 15 -12.372 8.465 4.502
130 HD3 PRO 15 2HD PRO 15 -13.255 7.946 3.080
131 H GLU 16 H GLU 16 -11.012 10.324 4.890
132 HA GLU 16 HA GLU 16 -9.666 12.494 5.528
133 HB2 GLU 16 1HB GLU 16 -10.284 10.718 7.129
134 HB3 GLU 16 2HB GLU 16 -9.032 9.671 6.492
135 HG2 GLU 16 1HG GLU 16 -7.980 10.606 8.380
136 HG3 GLU 16 2HG GLU 16 -7.383 11.625 7.084
137 HE2 GLU 16 HE GLU 16 -10.504 13.099 9.103
138 H GLY 17 H GLY 17 -8.275 13.384 3.953
139 HA2 GLY 17 1HA GLY 17 -6.525 13.333 2.432
140 HA3 GLY 17 2HA GLY 17 -5.696 13.303 3.975
141 H LYS 18 H LYS 18 -7.546 10.787 2.106
142 HA LYS 18 HA LYS 18 -5.084 9.266 1.839
143 HB2 LYS 18 1HB LYS 18 -7.333 8.549 3.641
144 HB3 LYS 18 2HB LYS 18 -6.731 7.258 2.622
145 HG2 LYS 18 1HG LYS 18 -4.796 7.081 3.812
146 HG3 LYS 18 2HG LYS 18 -4.519 8.811 3.774
147 HD2 LYS 18 1HD LYS 18 -5.059 8.874 5.976
148 HD3 LYS 18 2HD LYS 18 -6.713 8.510 5.525
149 HE2 LYS 18 1HE LYS 18 -6.354 6.699 6.918
150 HE3 LYS 18 2HE LYS 18 -5.749 5.989 5.434
151 HZ1 LYS 18 1HZ LYS 18 -4.163 7.149 7.643
152 HZ2 LYS 18 2HZ LYS 18 -4.041 5.660 6.996
153 HZ3 LYS 18 3HZ LYS 18 -3.553 6.964 6.137
154 H ASN 19 H ASN 19 -5.773 10.401 -0.320
155 HA ASN 19 HA ASN 19 -7.911 8.959 -1.602
156 HB2 ASN 19 1HB ASN 19 -7.325 11.534 -1.829
157 HB3 ASN 19 2HB ASN 19 -6.089 10.995 -2.949
158 HD21 ASN 19 1HD2 ASN 19 -6.709 11.255 -4.944
159 HD22 ASN 19 2HD2 ASN 19 -8.270 10.923 -5.616
160 H LEU 20 H LEU 20 -5.336 7.626 -0.760
161 HA LEU 20 HA LEU 20 -4.652 6.534 -3.359
162 HB2 LEU 20 1HB LEU 20 -2.688 7.882 -1.519
163 HB3 LEU 20 2HB LEU 20 -2.191 6.635 -2.646
164 HG LEU 20 HG LEU 20 -3.473 9.288 -3.354
165 HD11 LEU 20 1HD1 LEU 20 -1.141 9.392 -4.608
166 HD12 LEU 20 2HD1 LEU 20 -1.315 9.886 -2.907
167 HD13 LEU 20 3HD1 LEU 20 -0.662 8.279 -3.304
168 HD21 LEU 20 1HD2 LEU 20 -2.952 8.610 -5.719
169 HD22 LEU 20 2HD2 LEU 20 -2.664 6.961 -5.112
170 HD23 LEU 20 3HD2 LEU 20 -4.273 7.705 -4.941
171 H CYS 21 H CYS 21 -4.644 4.347 -3.246
172 HA CYS 21 HA CYS 21 -4.680 3.213 -0.562
173 HB2 CYS 21 1HB CYS 21 -5.371 1.705 -3.082
174 HB3 CYS 21 2HB CYS 21 -5.867 1.378 -1.434
175 H TYR 22 H TYR 22 -3.375 1.219 -0.178
176 HA TYR 22 HA TYR 22 -1.234 0.763 -2.098
177 HB2 TYR 22 1HB TYR 22 0.449 1.225 -0.385
178 HB3 TYR 22 2HB TYR 22 -0.658 2.582 -0.315
179 HD1 TYR 22 1HD TYR 22 0.109 -0.695 1.304
180 HD2 TYR 22 2HD TYR 22 -1.757 3.134 1.697
181 HE1 TYR 22 1HE TYR 22 -0.278 -1.129 3.780
182 HE2 TYR 22 2HE TYR 22 -2.138 2.688 4.170
183 HH TYR 22 HH TYR 22 -2.388 0.681 5.617
184 H LYS 23 H LYS 23 -0.045 -1.257 -1.673
185 HA LYS 23 HA LYS 23 -1.240 -2.991 0.324
186 HB2 LYS 23 1HB LYS 23 -1.580 -4.789 -1.402
187 HB3 LYS 23 2HB LYS 23 -2.716 -3.457 -1.470
188 HG2 LYS 23 1HG LYS 23 -0.255 -3.096 -3.123
189 HG3 LYS 23 2HG LYS 23 -1.302 -4.402 -3.637
190 HD2 LYS 23 1HD LYS 23 -3.155 -2.407 -3.167
191 HD3 LYS 23 2HD LYS 23 -1.777 -1.460 -3.691
192 HE2 LYS 23 1HE LYS 23 -3.258 -2.152 -5.599
193 HE3 LYS 23 2HE LYS 23 -1.612 -2.723 -5.782
194 HZ1 LYS 23 1HZ LYS 23 -2.359 -4.828 -5.761
195 HZ2 LYS 23 2HZ LYS 23 -3.149 -4.634 -4.349
196 HZ3 LYS 23 3HZ LYS 23 -3.881 -4.226 -5.755
197 H MET 24 H MET 24 0.400 -3.936 1.402
198 HA MET 24 HA MET 24 2.987 -3.902 0.129
199 HB2 MET 24 1HB MET 24 1.894 -4.244 2.937
200 HB3 MET 24 2HB MET 24 3.487 -4.896 2.603
201 HG2 MET 24 1HG MET 24 4.230 -2.782 3.078
202 HG3 MET 24 2HG MET 24 3.712 -2.399 1.449
203 HE1 MET 24 1HE MET 24 3.252 -0.419 4.801
204 HE2 MET 24 2HE MET 24 1.962 -1.463 5.442
205 HE3 MET 24 3HE MET 24 3.514 -2.173 4.938
206 H PHE 25 H PHE 25 4.027 -5.697 -0.671
207 HA PHE 25 HA PHE 25 2.713 -8.270 -0.144
208 HB2 PHE 25 1HB PHE 25 4.385 -7.202 -2.498
209 HB3 PHE 25 2HB PHE 25 3.763 -8.838 -2.414
210 HD1 PHE 25 1HD PHE 25 2.877 -5.315 -2.892
211 HD2 PHE 25 2HD PHE 25 1.418 -9.299 -2.800
212 HE1 PHE 25 1HE PHE 25 0.748 -4.561 -3.985
213 HE2 PHE 25 2HE PHE 25 -0.711 -8.545 -3.893
214 HZ PHE 25 HZ PHE 25 -1.021 -6.184 -4.472
215 H MET 26 H MET 26 4.018 -10.105 0.305
216 HA MET 26 HA MET 26 6.550 -9.392 1.436
217 HB2 MET 26 1HB MET 26 4.510 -11.335 1.908
218 HB3 MET 26 2HB MET 26 5.899 -12.267 1.386
219 HG2 MET 26 1HG MET 26 7.308 -11.075 3.115
220 HG3 MET 26 2HG MET 26 5.876 -10.229 3.666
221 HE1 MET 26 1HE MET 26 7.203 -13.219 6.035
222 HE2 MET 26 2HE MET 26 7.770 -11.714 5.272
223 HE3 MET 26 3HE MET 26 6.374 -11.681 6.375
224 H MET 27 H MET 27 8.592 -9.991 0.688
225 HA MET 27 HA MET 27 10.132 -10.638 -0.702
226 HB2 MET 27 1HB MET 27 8.022 -12.780 -1.226
227 HB3 MET 27 2HB MET 27 9.523 -12.795 -2.131
228 HG2 MET 27 1HG MET 27 10.364 -12.432 0.534
229 HG3 MET 27 2HG MET 27 9.029 -13.557 0.676
230 HE1 MET 27 1HE MET 27 10.912 -14.618 1.759
231 HE2 MET 27 2HE MET 27 11.230 -16.189 0.985
232 HE3 MET 27 3HE MET 27 12.494 -14.937 1.008
233 H SER 28 H SER 28 7.218 -11.486 -2.708
234 HA SER 28 HA SER 28 8.122 -9.427 -4.565
235 HB2 SER 28 1HB SER 28 7.218 -12.270 -5.122
236 HB3 SER 28 2HB SER 28 7.084 -11.034 -6.356
237 HG SER 28 HG SER 28 9.119 -12.320 -6.367
238 H ASP 29 H ASP 29 6.273 -8.707 -6.088
239 HA ASP 29 HA ASP 29 3.979 -8.288 -4.436
240 HB2 ASP 29 1HB ASP 29 3.304 -7.034 -6.720
241 HB3 ASP 29 2HB ASP 29 4.411 -6.318 -5.565
242 HD2 ASP 29 HD ASP 29 4.115 -7.421 -8.716
243 H LEU 30 H LEU 30 4.976 -10.010 -7.426
244 HA LEU 30 HA LEU 30 2.664 -10.590 -8.655
245 HB2 LEU 30 1HB LEU 30 4.998 -12.419 -8.094
246 HB3 LEU 30 2HB LEU 30 3.717 -12.791 -9.230
247 HG LEU 30 HG LEU 30 5.485 -10.340 -9.439
248 HD11 LEU 30 1HD1 LEU 30 6.955 -12.189 -9.662
249 HD12 LEU 30 2HD1 LEU 30 5.798 -13.080 -10.680
250 HD13 LEU 30 3HD1 LEU 30 6.596 -11.619 -11.309
251 HD21 LEU 30 1HD2 LEU 30 4.059 -9.679 -11.002
252 HD22 LEU 30 2HD2 LEU 30 4.442 -11.141 -11.943
253 HD23 LEU 30 3HD2 LEU 30 3.088 -11.154 -10.789
254 H THR 31 H THR 31 4.001 -12.400 -5.806
255 HA THR 31 HA THR 31 1.722 -14.058 -5.568
256 HB THR 31 HB THR 31 2.836 -14.717 -3.458
257 HG1 THR 31 1HG THR 31 4.615 -13.299 -2.771
258 HG21 THR 31 1HG2 THR 31 5.183 -13.941 -5.212
259 HG22 THR 31 2HG2 THR 31 4.908 -15.454 -4.314
260 HG23 THR 31 3HG2 THR 31 4.016 -15.140 -5.822
261 H ILE 32 H ILE 32 0.575 -14.100 -3.258
262 HA ILE 32 HA ILE 32 -1.118 -11.877 -3.283
263 HB ILE 32 HB ILE 32 -0.863 -14.406 -1.904
264 HG12 ILE 32 1HG1 ILE 32 -3.438 -13.939 -1.786
265 HG13 ILE 32 2HG1 ILE 32 -3.066 -12.581 -2.830
266 HG21 ILE 32 1HG2 ILE 32 -2.267 -13.628 0.087
267 HG22 ILE 32 2HG2 ILE 32 -0.518 -13.303 0.136
268 HG23 ILE 32 3HG2 ILE 32 -1.655 -11.996 -0.271
269 HD11 ILE 32 1HD1 ILE 32 -3.653 -14.617 -4.139
270 HD12 ILE 32 2HD1 ILE 32 -1.986 -14.089 -4.469
271 HD13 ILE 32 3HD1 ILE 32 -2.283 -15.478 -3.396
272 HA PRO 33 HA PRO 33 1.008 -9.084 -0.770
273 HB2 PRO 33 1HB PRO 33 -1.040 -7.488 0.082
274 HB3 PRO 33 2HB PRO 33 -0.296 -7.331 -1.496
275 HG2 PRO 33 1HG PRO 33 -2.920 -8.495 -0.790
276 HG3 PRO 33 2HG PRO 33 -2.347 -7.947 -2.353
277 HD2 PRO 33 1HD PRO 33 -2.574 -10.665 -1.466
278 HD3 PRO 33 2HD PRO 33 -1.893 -10.111 -2.983
279 H VAL 34 H VAL 34 1.074 -7.998 1.469
280 HA VAL 34 HA VAL 34 0.417 -10.171 3.317
281 HB VAL 34 HB VAL 34 2.076 -9.053 4.783
282 HG11 VAL 34 1HG1 VAL 34 3.315 -10.670 3.851
283 HG12 VAL 34 2HG1 VAL 34 2.593 -10.406 2.245
284 HG13 VAL 34 3HG1 VAL 34 3.969 -9.410 2.778
285 HG21 VAL 34 1HG2 VAL 34 3.131 -7.110 4.293
286 HG22 VAL 34 2HG2 VAL 34 3.194 -7.457 2.548
287 HG23 VAL 34 3HG2 VAL 34 1.697 -6.828 3.277
288 H LYS 35 H LYS 35 -0.106 -6.731 2.543
289 HA LYS 35 HA LYS 35 -2.491 -6.676 4.024
290 HB2 LYS 35 1HB LYS 35 -1.915 -5.172 5.823
291 HB3 LYS 35 2HB LYS 35 -0.955 -6.631 5.952
292 HG2 LYS 35 1HG LYS 35 1.017 -5.522 5.583
293 HG3 LYS 35 2HG LYS 35 0.340 -4.540 4.299
294 HD2 LYS 35 1HD LYS 35 0.495 -2.827 5.805
295 HD3 LYS 35 2HD LYS 35 -0.982 -3.490 6.475
296 HE2 LYS 35 1HE LYS 35 0.273 -3.524 8.413
297 HE3 LYS 35 2HE LYS 35 0.778 -5.079 7.783
298 HZ1 LYS 35 1HZ LYS 35 2.835 -4.265 7.259
299 HZ2 LYS 35 2HZ LYS 35 2.306 -2.781 6.845
300 HZ3 LYS 35 3HZ LYS 35 2.451 -3.183 8.425
301 H ARG 36 H ARG 36 -3.408 -4.349 4.022
302 HA ARG 36 HA ARG 36 -2.126 -2.549 2.267
303 HB2 ARG 36 1HB ARG 36 -4.027 -2.554 0.560
304 HB3 ARG 36 2HB ARG 36 -2.991 -3.967 0.502
305 HG2 ARG 36 1HG ARG 36 -5.029 -4.575 2.407
306 HG3 ARG 36 2HG ARG 36 -5.849 -3.814 1.059
307 HD2 ARG 36 1HD ARG 36 -3.802 -5.760 0.179
308 HD3 ARG 36 2HD ARG 36 -5.034 -6.495 1.185
309 HE ARG 36 HE ARG 36 -6.238 -4.759 -0.798
310 HH11 ARG 36 1HH ARG 36 -7.141 -7.289 -2.999
311 HH12 ARG 36 2HH1 ARG 36 -7.338 -5.671 -2.535
312 HH21 ARG 36 1HH2 ARG 36 -5.623 -8.652 -1.743
313 HH22 ARG 36 2HH2 ARG 36 -4.770 -7.959 -0.404
314 H GLY 37 H GLY 37 -3.259 -0.453 2.223
315 HA2 GLY 37 1HA GLY 37 -5.769 -0.198 3.637
316 HA3 GLY 37 2HA GLY 37 -4.381 0.414 4.515
317 H CYS 38 H CYS 38 -5.603 2.526 4.263
318 HA CYS 38 HA CYS 38 -5.364 3.625 1.578
319 HB2 CYS 38 1HB CYS 38 -6.638 5.026 3.931
320 HB3 CYS 38 2HB CYS 38 -6.901 5.298 2.220
321 H ILE 39 H ILE 39 -4.375 5.855 1.390
322 HA ILE 39 HA ILE 39 -2.821 6.859 3.535
323 HB ILE 39 HB ILE 39 -1.551 4.789 2.755
324 HG12 ILE 39 1HG1 ILE 39 0.192 7.207 2.511
325 HG13 ILE 39 2HG1 ILE 39 -0.741 7.013 3.980
326 HG21 ILE 39 1HG2 ILE 39 -1.436 4.670 0.501
327 HG22 ILE 39 2HG2 ILE 39 -1.497 6.436 0.288
328 HG23 ILE 39 3HG2 ILE 39 0.029 5.648 0.758
329 HD11 ILE 39 1HD1 ILE 39 0.178 4.621 4.127
330 HD12 ILE 39 2HD1 ILE 39 1.290 5.068 2.810
331 HD13 ILE 39 3HD1 ILE 39 1.369 5.923 4.370
332 H ASP 40 H ASP 40 -1.200 8.620 2.484
333 HA ASP 40 HA ASP 40 -2.828 9.910 0.440
334 HB2 ASP 40 1HB ASP 40 -1.325 11.951 1.438
335 HB3 ASP 40 2HB ASP 40 -2.900 11.518 2.076
336 HD2 ASP 40 HD ASP 40 0.458 10.877 2.543
337 H VAL 41 H VAL 41 0.388 8.850 1.543
338 HA VAL 41 HA VAL 41 1.458 9.573 -1.088
339 HB VAL 41 HB VAL 41 2.632 10.120 1.631
340 HG11 VAL 41 1HG1 VAL 41 4.653 9.532 0.873
341 HG12 VAL 41 2HG1 VAL 41 4.035 9.274 -0.776
342 HG13 VAL 41 3HG1 VAL 41 4.537 10.901 -0.258
343 HG21 VAL 41 1HG2 VAL 41 3.090 12.359 0.432
344 HG22 VAL 41 2HG2 VAL 41 1.938 11.778 -0.796
345 HG23 VAL 41 3HG2 VAL 41 1.412 11.984 0.892
346 H CYS 42 H CYS 42 2.713 7.982 -2.047
347 HA CYS 42 HA CYS 42 2.410 5.386 -1.040
348 HB2 CYS 42 1HB CYS 42 2.701 6.152 -3.480
349 HB3 CYS 42 2HB CYS 42 4.421 6.197 -3.149
350 HA PRO 43 HA PRO 43 5.878 5.631 1.665
351 HB2 PRO 43 1HB PRO 43 5.548 3.205 2.879
352 HB3 PRO 43 2HB PRO 43 4.720 4.658 3.402
353 HG2 PRO 43 1HG PRO 43 3.646 2.353 1.894
354 HG3 PRO 43 2HG PRO 43 2.773 3.588 2.781
355 HD2 PRO 43 1HD PRO 43 3.071 3.408 -0.066
356 HD3 PRO 43 2HD PRO 43 2.299 4.704 0.827
357 H LYS 44 H LYS 44 7.938 4.522 2.151
358 HA LYS 44 HA LYS 44 8.928 3.520 -0.336
359 HB2 LYS 44 1HB LYS 44 10.109 4.177 2.351
360 HB3 LYS 44 2HB LYS 44 11.038 3.244 1.196
361 HG2 LYS 44 1HG LYS 44 11.665 5.391 0.554
362 HG3 LYS 44 2HG LYS 44 10.288 5.159 -0.505
363 HD2 LYS 44 1HD LYS 44 9.903 7.294 0.467
364 HD3 LYS 44 2HD LYS 44 8.851 6.225 1.372
365 HE2 LYS 44 1HE LYS 44 9.868 6.910 3.281
366 HE3 LYS 44 2HE LYS 44 11.341 6.130 2.739
367 HZ1 LYS 44 1HZ LYS 44 12.108 8.138 1.797
368 HZ2 LYS 44 2HZ LYS 44 10.644 8.851 1.809
369 HZ3 LYS 44 3HZ LYS 44 11.425 8.570 3.220
370 H ASN 45 H ASN 45 10.264 1.440 -0.392
371 HA ASN 45 HA ASN 45 8.545 -0.641 0.388
372 HB2 ASN 45 1HB ASN 45 11.289 -0.475 -0.914
373 HB3 ASN 45 2HB ASN 45 10.666 -2.037 -0.417
374 HD21 ASN 45 1HD2 ASN 45 10.741 -2.573 -2.661
375 HD22 ASN 45 2HD2 ASN 45 9.453 -2.129 -3.731
376 H SER 46 H SER 46 9.071 -2.410 1.913
377 HA SER 46 HA SER 46 10.472 -1.451 4.181
378 HB2 SER 46 1HB SER 46 9.581 -3.328 5.311
379 HB3 SER 46 2HB SER 46 8.356 -2.938 4.121
380 HG SER 46 HG SER 46 9.346 -5.295 4.437
381 H LEU 47 H LEU 47 11.160 -4.600 4.525
382 HA LEU 47 HA LEU 47 13.888 -4.229 3.618
383 HB2 LEU 47 1HB LEU 47 13.048 -6.698 5.020
384 HB3 LEU 47 2HB LEU 47 14.493 -5.724 5.205
385 HG LEU 47 HG LEU 47 13.446 -5.381 7.220
386 HD11 LEU 47 1HD1 LEU 47 11.938 -3.138 5.991
387 HD12 LEU 47 2HD1 LEU 47 13.115 -3.145 7.327
388 HD13 LEU 47 3HD1 LEU 47 13.682 -3.223 5.641
389 HD21 LEU 47 1HD2 LEU 47 11.380 -6.088 7.593
390 HD22 LEU 47 2HD2 LEU 47 10.723 -4.719 6.662
391 HD23 LEU 47 3HD2 LEU 47 11.117 -6.248 5.840
392 H LEU 48 H LEU 48 11.365 -6.845 3.421
393 HA LEU 48 HA LEU 48 12.401 -7.398 0.732
394 HB2 LEU 48 1HB LEU 48 12.166 -9.180 3.066
395 HB3 LEU 48 2HB LEU 48 11.508 -9.828 1.577
396 HG LEU 48 HG LEU 48 13.760 -10.576 1.769
397 HD11 LEU 48 1HD1 LEU 48 14.047 -10.328 -0.413
398 HD12 LEU 48 2HD1 LEU 48 12.861 -9.000 -0.407
399 HD13 LEU 48 3HD1 LEU 48 14.591 -8.649 -0.180
400 HD21 LEU 48 1HD2 LEU 48 14.621 -8.995 3.375
401 HD22 LEU 48 2HD2 LEU 48 15.681 -9.020 1.946
402 HD23 LEU 48 3HD2 LEU 48 14.537 -7.677 2.182
403 H VAL 49 H VAL 49 10.021 -5.907 2.214
404 HA VAL 49 HA VAL 49 7.867 -7.327 0.822
405 HB VAL 49 HB VAL 49 7.578 -5.104 2.835
406 HG11 VAL 49 1HG1 VAL 49 5.643 -5.822 1.366
407 HG12 VAL 49 2HG1 VAL 49 5.704 -7.398 2.191
408 HG13 VAL 49 3HG1 VAL 49 5.355 -5.919 3.119
409 HG21 VAL 49 1HG2 VAL 49 7.422 -8.010 3.615
410 HG22 VAL 49 2HG2 VAL 49 8.980 -7.150 3.632
411 HG23 VAL 49 3HG2 VAL 49 7.632 -6.573 4.642
412 H LYS 50 H LYS 50 6.827 -6.401 -0.907
413 HA LYS 50 HA LYS 50 8.007 -3.941 -1.892
414 HB2 LYS 50 1HB LYS 50 7.509 -6.197 -3.188
415 HB3 LYS 50 2HB LYS 50 5.914 -5.496 -3.369
416 HG2 LYS 50 1HG LYS 50 6.643 -4.006 -4.925
417 HG3 LYS 50 2HG LYS 50 7.971 -3.486 -3.908
418 HD2 LYS 50 1HD LYS 50 8.658 -6.110 -4.789
419 HD3 LYS 50 2HD LYS 50 8.016 -5.292 -6.199
420 HE2 LYS 50 1HE LYS 50 10.018 -3.854 -4.437
421 HE3 LYS 50 2HE LYS 50 10.588 -5.055 -5.578
422 HZ1 LYS 50 1HZ LYS 50 9.398 -3.799 -7.343
423 HZ2 LYS 50 2HZ LYS 50 8.985 -2.651 -6.265
424 HZ3 LYS 50 3HZ LYS 50 10.565 -2.934 -6.588
425 H TYR 51 H TYR 51 6.939 -1.987 -2.097
426 HA TYR 51 HA TYR 51 4.281 -1.919 -0.845
427 HB2 TYR 51 1HB TYR 51 6.731 -0.104 -1.059
428 HB3 TYR 51 2HB TYR 51 5.170 0.639 -0.768
429 HD1 TYR 51 1HD TYR 51 6.460 -2.601 0.581
430 HD2 TYR 51 2HD TYR 51 5.349 1.442 1.433
431 HE1 TYR 51 1HE TYR 51 6.703 -3.051 3.072
432 HE2 TYR 51 2HE TYR 51 5.597 0.978 3.920
433 HH TYR 51 HH TYR 51 5.960 -2.216 5.130
434 H VAL 52 H VAL 52 2.651 -1.743 -2.301
435 HA VAL 52 HA VAL 52 3.223 -0.213 -4.742
436 HB VAL 52 HB VAL 52 0.969 -2.169 -4.349
437 HG11 VAL 52 1HG1 VAL 52 2.158 -0.646 -6.600
438 HG12 VAL 52 2HG1 VAL 52 1.713 -2.334 -6.952
439 HG13 VAL 52 3HG1 VAL 52 0.487 -1.199 -6.339
440 HG21 VAL 52 1HG2 VAL 52 2.760 -3.586 -3.868
441 HG22 VAL 52 2HG2 VAL 52 2.563 -3.774 -5.626
442 HG23 VAL 52 3HG2 VAL 52 3.861 -2.740 -4.981
443 H CYS 53 H CYS 53 1.437 1.158 -5.569
444 HA CYS 53 HA CYS 53 -0.511 1.879 -3.541
445 HB2 CYS 53 1HB CYS 53 1.421 3.872 -4.769
446 HB3 CYS 53 2HB CYS 53 -0.014 4.309 -3.862
447 H CYS 54 H CYS 54 -2.227 3.366 -4.572
448 HA CYS 54 HA CYS 54 -2.238 3.400 -7.442
449 HB2 CYS 54 1HB CYS 54 -4.616 2.273 -7.350
450 HB3 CYS 54 2HB CYS 54 -3.165 1.300 -7.485
451 H ASN 55 H ASN 55 -4.487 4.462 -8.133
452 HA ASN 55 HA ASN 55 -5.402 6.185 -5.983
453 HB2 ASN 55 1HB ASN 55 -5.406 8.120 -7.626
454 HB3 ASN 55 2HB ASN 55 -3.795 7.554 -7.229
455 HD21 ASN 55 1HD2 ASN 55 -2.467 7.140 -8.821
456 HD22 ASN 55 2HD2 ASN 55 -2.876 6.833 -10.477
457 H THR 56 H THR 56 -6.463 3.735 -7.388
458 HA THR 56 HA THR 56 -8.901 4.949 -8.497
459 HB THR 56 HB THR 56 -8.853 2.887 -10.081
460 HG1 THR 56 1HG THR 56 -7.072 1.632 -9.706
461 HG21 THR 56 1HG2 THR 56 -7.594 4.022 -11.728
462 HG22 THR 56 2HG2 THR 56 -8.001 5.358 -10.626
463 HG23 THR 56 3HG2 THR 56 -6.393 4.599 -10.548
464 H ASP 57 H ASP 57 -10.845 3.961 -7.963
465 HA ASP 57 HA ASP 57 -10.889 2.720 -5.515
466 HB2 ASP 57 1HB ASP 57 -13.083 2.273 -7.555
467 HB3 ASP 57 2HB ASP 57 -13.238 2.551 -5.832
468 HD2 ASP 57 HD ASP 57 -13.360 5.788 -5.854
469 H ARG 58 H ARG 58 -10.943 0.501 -4.897
470 HA ARG 58 HA ARG 58 -10.752 -1.646 -5.031
471 HB2 ARG 58 1HB ARG 58 -11.773 -1.548 -7.909
472 HB3 ARG 58 2HB ARG 58 -11.864 -2.907 -6.808
473 HG2 ARG 58 1HG ARG 58 -13.258 -1.328 -5.263
474 HG3 ARG 58 2HG ARG 58 -13.396 -0.283 -6.663
475 HD2 ARG 58 1HD ARG 58 -13.986 -3.043 -7.422
476 HD3 ARG 58 2HD ARG 58 -14.981 -2.573 -6.059
477 HE ARG 58 HE ARG 58 -15.274 -0.396 -7.661
478 HH11 ARG 58 1HH ARG 58 -17.324 -1.418 -10.272
479 HH12 ARG 58 2HH1 ARG 58 -16.728 -0.121 -9.356
480 HH21 ARG 58 1HH2 ARG 58 -16.578 -3.629 -9.728
481 HH22 ARG 58 2HH2 ARG 58 -15.458 -3.850 -8.425
482 H CYS 59 H CYS 59 -8.575 0.179 -5.941
483 HA CYS 59 HA CYS 59 -7.320 -1.046 -8.173
484 HB2 CYS 59 1HB CYS 59 -5.392 0.403 -7.566
485 HB3 CYS 59 2HB CYS 59 -6.896 1.285 -7.747
486 H ASN 60 H ASN 60 -7.091 -1.193 -4.577
487 HA ASN 60 HA ASN 60 -4.991 -3.149 -4.797
488 HB2 ASN 60 1HB ASN 60 -4.915 -2.993 -2.317
489 HB3 ASN 60 2HB ASN 60 -4.864 -1.391 -3.025
490 HD21 ASN 60 1HD2 ASN 60 -5.547 -1.483 -0.498
491 HD22 ASN 60 2HD2 ASN 60 -7.238 -1.217 -0.235
492 H1 HOH 101 1H HOH 61 3.878 -12.273 -1.255
493 H2 HOH 101 2H HOH 61 2.897 -12.518 -0.129
Start of MODEL 17
1 H1 LEU 1 H LEU 1 -9.632 8.758 -3.144
2 HA LEU 1 HA LEU 1 -11.652 7.428 -4.086
3 HB2 LEU 1 1HB LEU 1 -10.227 6.238 -5.419
4 HB3 LEU 1 2HB LEU 1 -9.209 7.562 -4.886
5 HG LEU 1 HG LEU 1 -9.065 5.158 -3.179
6 HD11 LEU 1 1HD1 LEU 1 -7.485 4.066 -4.892
7 HD12 LEU 1 2HD1 LEU 1 -9.240 3.863 -5.110
8 HD13 LEU 1 3HD1 LEU 1 -8.350 5.042 -6.102
9 HD21 LEU 1 1HD2 LEU 1 -7.135 6.100 -2.624
10 HD22 LEU 1 2HD2 LEU 1 -6.576 6.073 -4.314
11 HD23 LEU 1 3HD2 LEU 1 -7.530 7.451 -3.715
12 H LYS 2 H LYS 2 -11.903 4.842 -4.246
13 HA LYS 2 HA LYS 2 -12.428 4.041 -1.490
14 HB2 LYS 2 1HB LYS 2 -13.614 3.365 -4.161
15 HB3 LYS 2 2HB LYS 2 -13.743 2.200 -2.861
16 HG2 LYS 2 1HG LYS 2 -14.710 4.015 -1.384
17 HG3 LYS 2 2HG LYS 2 -14.662 5.112 -2.749
18 HD2 LYS 2 1HD LYS 2 -15.984 2.526 -3.362
19 HD3 LYS 2 2HD LYS 2 -16.791 3.438 -2.103
20 HE2 LYS 2 1HE LYS 2 -17.743 4.133 -4.226
21 HE3 LYS 2 2HE LYS 2 -16.778 5.465 -3.625
22 HZ1 LYS 2 1HZ LYS 2 -16.465 4.146 -6.054
23 HZ2 LYS 2 2HZ LYS 2 -15.513 5.326 -5.460
24 HZ3 LYS 2 3HZ LYS 2 -15.171 3.761 -5.129
25 H CYS 3 H CYS 3 -11.074 2.670 -0.476
26 HA CYS 3 HA CYS 3 -9.322 1.073 -2.192
27 HB2 CYS 3 1HB CYS 3 -8.822 1.715 0.721
28 HB3 CYS 3 2HB CYS 3 -7.688 1.095 -0.462
29 H ASN 4 H ASN 4 -9.089 -1.201 -1.692
30 HA ASN 4 HA ASN 4 -11.410 -2.226 -0.333
31 HB2 ASN 4 1HB ASN 4 -9.195 -3.777 -1.768
32 HB3 ASN 4 2HB ASN 4 -10.788 -4.379 -1.354
33 HD21 ASN 4 1HD2 ASN 4 -10.152 -4.706 -3.849
34 HD22 ASN 4 2HD2 ASN 4 -10.923 -3.586 -4.923
35 H LYS 5 H LYS 5 -10.780 -4.507 0.894
36 HA LYS 5 HA LYS 5 -8.763 -3.730 2.850
37 HB2 LYS 5 1HB LYS 5 -10.808 -5.957 3.030
38 HB3 LYS 5 2HB LYS 5 -9.837 -5.294 4.330
39 HG2 LYS 5 1HG LYS 5 -11.341 -3.635 4.689
40 HG3 LYS 5 2HG LYS 5 -11.250 -3.123 3.015
41 HD2 LYS 5 1HD LYS 5 -13.423 -3.816 2.887
42 HD3 LYS 5 2HD LYS 5 -12.747 -5.427 2.762
43 HE2 LYS 5 1HE LYS 5 -14.196 -5.756 4.556
44 HE3 LYS 5 2HE LYS 5 -12.748 -5.305 5.433
45 HZ1 LYS 5 1HZ LYS 5 -14.420 -3.078 4.603
46 HZ2 LYS 5 2HZ LYS 5 -15.084 -4.045 5.732
47 HZ3 LYS 5 3HZ LYS 5 -13.622 -3.363 6.002
48 H LEU 6 H LEU 6 -8.463 -6.570 3.741
49 HA LEU 6 HA LEU 6 -6.155 -7.175 2.345
50 HB2 LEU 6 1HB LEU 6 -6.337 -8.037 4.480
51 HB3 LEU 6 2HB LEU 6 -7.953 -8.663 4.217
52 HG LEU 6 HG LEU 6 -6.861 -10.323 2.578
53 HD11 LEU 6 1HD1 LEU 6 -4.342 -9.948 4.142
54 HD12 LEU 6 2HD1 LEU 6 -4.598 -10.647 2.525
55 HD13 LEU 6 3HD1 LEU 6 -4.653 -8.882 2.750
56 HD21 LEU 6 1HD2 LEU 6 -5.793 -11.176 5.128
57 HD22 LEU 6 2HD2 LEU 6 -7.386 -10.408 5.327
58 HD23 LEU 6 3HD2 LEU 6 -7.195 -11.785 4.214
59 H VAL 7 H VAL 7 -9.563 -8.076 1.769
60 HA VAL 7 HA VAL 7 -8.659 -9.597 -0.575
61 HB VAL 7 HB VAL 7 -11.192 -9.735 1.067
62 HG11 VAL 7 1HG1 VAL 7 -11.362 -10.045 -1.525
63 HG12 VAL 7 2HG1 VAL 7 -10.575 -11.609 -1.205
64 HG13 VAL 7 3HG1 VAL 7 -12.136 -11.226 -0.442
65 HG21 VAL 7 1HG2 VAL 7 -8.987 -11.773 0.606
66 HG22 VAL 7 2HG2 VAL 7 -9.232 -10.819 2.089
67 HG23 VAL 7 3HG2 VAL 7 -10.453 -12.013 1.586
68 HA PRO 8 HA PRO 8 -10.364 -6.400 -2.951
69 HB2 PRO 8 1HB PRO 8 -10.301 -7.595 -5.408
70 HB3 PRO 8 2HB PRO 8 -8.906 -6.823 -4.681
71 HG2 PRO 8 1HG PRO 8 -9.488 -9.706 -4.970
72 HG3 PRO 8 2HG PRO 8 -7.953 -8.923 -4.648
73 HD2 PRO 8 1HD PRO 8 -9.610 -10.299 -2.753
74 HD3 PRO 8 2HD PRO 8 -8.135 -9.417 -2.410
75 H ILE 9 H ILE 9 -12.249 -7.591 -1.409
76 HA ILE 9 HA ILE 9 -14.409 -7.840 -3.383
77 HB ILE 9 HB ILE 9 -13.662 -9.989 -2.229
78 HG12 ILE 9 1HG1 ILE 9 -15.950 -9.335 -3.356
79 HG13 ILE 9 2HG1 ILE 9 -15.761 -10.854 -2.502
80 HG21 ILE 9 1HG2 ILE 9 -13.354 -9.058 0.018
81 HG22 ILE 9 2HG2 ILE 9 -15.097 -8.709 0.114
82 HG23 ILE 9 3HG2 ILE 9 -14.530 -10.393 0.012
83 HD11 ILE 9 1HD1 ILE 9 -16.883 -8.296 -1.265
84 HD12 ILE 9 2HD1 ILE 9 -17.859 -9.665 -1.852
85 HD13 ILE 9 3HD1 ILE 9 -16.764 -9.883 -0.465
86 H ALA 10 H ALA 10 -13.588 -7.128 0.081
87 HA ALA 10 HA ALA 10 -15.882 -5.317 0.138
88 HB1 ALA 10 1HB ALA 10 -14.956 -5.326 2.672
89 HB2 ALA 10 2HB ALA 10 -16.058 -6.576 2.047
90 HB3 ALA 10 3HB ALA 10 -14.308 -6.892 2.130
91 H TYR 11 H TYR 11 -15.579 -3.167 -0.145
92 HA TYR 11 HA TYR 11 -13.065 -2.001 0.745
93 HB2 TYR 11 1HB TYR 11 -12.849 -0.913 -1.527
94 HB3 TYR 11 2HB TYR 11 -12.786 -2.659 -1.671
95 HD1 TYR 11 1HD TYR 11 -14.854 -3.909 -2.439
96 HD2 TYR 11 2HD TYR 11 -14.550 0.354 -2.610
97 HE1 TYR 11 1HE TYR 11 -16.769 -3.833 -4.109
98 HE2 TYR 11 2HE TYR 11 -16.466 0.417 -4.280
99 HH TYR 11 HH TYR 11 -17.355 -1.511 -6.070
100 H LYS 12 H LYS 12 -13.174 0.368 0.917
101 HA LYS 12 HA LYS 12 -15.840 1.490 0.635
102 HB2 LYS 12 1HB LYS 12 -14.544 0.846 3.218
103 HB3 LYS 12 2HB LYS 12 -15.193 2.468 3.097
104 HG2 LYS 12 1HG LYS 12 -16.926 0.227 2.081
105 HG3 LYS 12 2HG LYS 12 -16.712 0.341 3.818
106 HD2 LYS 12 1HD LYS 12 -17.499 2.765 2.149
107 HD3 LYS 12 2HD LYS 12 -18.700 1.646 2.763
108 HE2 LYS 12 1HE LYS 12 -17.878 2.040 5.095
109 HE3 LYS 12 2HE LYS 12 -16.670 3.152 4.483
110 HZ1 LYS 12 1HZ LYS 12 -19.399 3.719 3.654
111 HZ2 LYS 12 2HZ LYS 12 -19.108 3.930 5.243
112 HZ3 LYS 12 3HZ LYS 12 -18.191 4.712 4.135
113 H THR 13 H THR 13 -15.462 3.976 1.700
114 HA THR 13 HA THR 13 -13.347 4.998 -0.035
115 HB THR 13 HB THR 13 -15.963 5.955 1.101
116 HG1 THR 13 1HG THR 13 -16.089 6.489 -1.125
117 HG21 THR 13 1HG2 THR 13 -14.928 8.272 0.043
118 HG22 THR 13 2HG2 THR 13 -14.997 7.947 1.792
119 HG23 THR 13 3HG2 THR 13 -13.495 7.640 0.888
120 H CYS 14 H CYS 14 -11.680 6.357 0.641
121 HA CYS 14 HA CYS 14 -11.311 6.362 3.549
122 HB2 CYS 14 1HB CYS 14 -9.359 5.773 1.335
123 HB3 CYS 14 2HB CYS 14 -8.784 6.473 2.835
124 HA PRO 15 HA PRO 15 -11.444 10.626 1.981
125 HB2 PRO 15 1HB PRO 15 -13.232 11.621 3.791
126 HB3 PRO 15 2HB PRO 15 -13.701 11.015 2.215
127 HG2 PRO 15 1HG PRO 15 -14.029 9.744 4.864
128 HG3 PRO 15 2HG PRO 15 -14.848 9.372 3.359
129 HD2 PRO 15 1HD PRO 15 -12.713 7.882 4.563
130 HD3 PRO 15 2HD PRO 15 -13.453 7.579 3.005
131 H GLU 16 H GLU 16 -11.390 9.572 5.331
132 HA GLU 16 HA GLU 16 -10.342 11.701 6.520
133 HB2 GLU 16 1HB GLU 16 -10.841 9.521 7.619
134 HB3 GLU 16 2HB GLU 16 -9.401 8.824 6.906
135 HG2 GLU 16 1HG GLU 16 -9.128 11.360 8.531
136 HG3 GLU 16 2HG GLU 16 -9.357 9.844 9.378
137 HE2 GLU 16 HE GLU 16 -7.166 11.799 8.346
138 H GLY 17 H GLY 17 -8.987 13.042 5.268
139 HA2 GLY 17 1HA GLY 17 -7.168 13.584 3.985
140 HA3 GLY 17 2HA GLY 17 -6.365 13.068 5.454
141 H LYS 18 H LYS 18 -8.133 11.119 2.956
142 HA LYS 18 HA LYS 18 -5.584 9.902 2.221
143 HB2 LYS 18 1HB LYS 18 -8.030 8.371 3.150
144 HB3 LYS 18 2HB LYS 18 -6.650 7.645 2.350
145 HG2 LYS 18 1HG LYS 18 -5.899 9.387 4.630
146 HG3 LYS 18 2HG LYS 18 -6.908 8.033 5.099
147 HD2 LYS 18 1HD LYS 18 -5.347 6.423 4.276
148 HD3 LYS 18 2HD LYS 18 -4.516 7.600 3.278
149 HE2 LYS 18 1HE LYS 18 -3.043 7.949 4.965
150 HE3 LYS 18 2HE LYS 18 -4.344 8.607 5.938
151 HZ1 LYS 18 1HZ LYS 18 -3.970 5.682 5.766
152 HZ2 LYS 18 2HZ LYS 18 -3.092 6.556 6.822
153 HZ3 LYS 18 3HZ LYS 18 -4.726 6.584 6.904
154 H ASN 19 H ASN 19 -5.398 9.517 0.043
155 HA ASN 19 HA ASN 19 -7.838 9.499 -1.496
156 HB2 ASN 19 1HB ASN 19 -6.656 11.898 -1.293
157 HB3 ASN 19 2HB ASN 19 -5.549 11.232 -2.477
158 HD21 ASN 19 1HD2 ASN 19 -6.465 13.060 -3.709
159 HD22 ASN 19 2HD2 ASN 19 -7.886 12.799 -4.666
160 H LEU 20 H LEU 20 -5.393 7.757 -0.603
161 HA LEU 20 HA LEU 20 -4.879 6.682 -3.247
162 HB2 LEU 20 1HB LEU 20 -2.732 7.701 -1.396
163 HB3 LEU 20 2HB LEU 20 -2.418 6.477 -2.610
164 HG LEU 20 HG LEU 20 -3.405 9.297 -3.126
165 HD11 LEU 20 1HD1 LEU 20 -0.714 7.983 -3.257
166 HD12 LEU 20 2HD1 LEU 20 -1.111 9.297 -4.391
167 HD13 LEU 20 3HD1 LEU 20 -1.176 9.585 -2.635
168 HD21 LEU 20 1HD2 LEU 20 -4.381 7.844 -4.771
169 HD22 LEU 20 2HD2 LEU 20 -3.044 8.742 -5.526
170 HD23 LEU 20 3HD2 LEU 20 -2.820 7.039 -5.059
171 H CYS 21 H CYS 21 -4.031 4.441 -3.134
172 HA CYS 21 HA CYS 21 -4.604 3.247 -0.521
173 HB2 CYS 21 1HB CYS 21 -5.247 1.820 -3.098
174 HB3 CYS 21 2HB CYS 21 -5.820 1.478 -1.478
175 H TYR 22 H TYR 22 -3.329 1.274 -0.086
176 HA TYR 22 HA TYR 22 -1.179 0.724 -1.970
177 HB2 TYR 22 1HB TYR 22 0.502 1.243 -0.299
178 HB3 TYR 22 2HB TYR 22 -0.624 2.580 -0.183
179 HD1 TYR 22 1HD TYR 22 0.182 -0.729 1.357
180 HD2 TYR 22 2HD TYR 22 -1.636 3.110 1.872
181 HE1 TYR 22 1HE TYR 22 -0.140 -1.206 3.834
182 HE2 TYR 22 2HE TYR 22 -1.952 2.620 4.347
183 HH TYR 22 HH TYR 22 -2.126 0.017 5.658
184 H LYS 23 H LYS 23 -0.007 -1.298 -1.435
185 HA LYS 23 HA LYS 23 -1.290 -2.955 0.570
186 HB2 LYS 23 1HB LYS 23 -1.775 -4.760 -0.994
187 HB3 LYS 23 2HB LYS 23 -2.682 -3.318 -1.403
188 HG2 LYS 23 1HG LYS 23 -0.047 -3.396 -2.735
189 HG3 LYS 23 2HG LYS 23 -1.039 -4.782 -3.143
190 HD2 LYS 23 1HD LYS 23 -2.567 -2.250 -3.163
191 HD3 LYS 23 2HD LYS 23 -1.228 -2.235 -4.292
192 HE2 LYS 23 1HE LYS 23 -2.082 -4.574 -5.070
193 HE3 LYS 23 2HE LYS 23 -3.545 -4.208 -4.177
194 HZ1 LYS 23 1HZ LYS 23 -3.257 -1.961 -5.599
195 HZ2 LYS 23 2HZ LYS 23 -2.579 -3.012 -6.642
196 HZ3 LYS 23 3HZ LYS 23 -4.099 -3.273 -6.095
197 H MET 24 H MET 24 0.189 -4.234 1.592
198 HA MET 24 HA MET 24 2.865 -4.123 0.481
199 HB2 MET 24 1HB MET 24 1.635 -4.514 3.223
200 HB3 MET 24 2HB MET 24 3.219 -5.210 2.946
201 HG2 MET 24 1HG MET 24 4.143 -3.020 2.321
202 HG3 MET 24 2HG MET 24 2.552 -2.285 2.366
203 HE1 MET 24 1HE MET 24 1.437 -1.809 5.600
204 HE2 MET 24 2HE MET 24 1.020 -2.823 4.199
205 HE3 MET 24 3HE MET 24 1.484 -3.583 5.741
206 H PHE 25 H PHE 25 3.967 -5.937 -0.227
207 HA PHE 25 HA PHE 25 2.546 -8.484 0.117
208 HB2 PHE 25 1HB PHE 25 4.335 -7.345 -2.113
209 HB3 PHE 25 2HB PHE 25 3.770 -9.005 -2.101
210 HD1 PHE 25 1HD PHE 25 2.902 -5.557 -2.786
211 HD2 PHE 25 2HD PHE 25 1.350 -9.486 -2.383
212 HE1 PHE 25 1HE PHE 25 0.808 -4.852 -3.976
213 HE2 PHE 25 2HE PHE 25 -0.745 -8.780 -3.573
214 HZ PHE 25 HZ PHE 25 -0.990 -6.471 -4.356
215 H MET 26 H MET 26 3.783 -10.362 0.586
216 HA MET 26 HA MET 26 6.250 -9.743 1.893
217 HB2 MET 26 1HB MET 26 4.158 -11.643 2.184
218 HB3 MET 26 2HB MET 26 5.525 -12.603 1.656
219 HG2 MET 26 1HG MET 26 6.919 -11.529 3.491
220 HG3 MET 26 2HG MET 26 5.477 -10.711 4.057
221 HE1 MET 26 1HE MET 26 3.982 -12.676 6.358
222 HE2 MET 26 2HE MET 26 3.840 -11.371 5.156
223 HE3 MET 26 3HE MET 26 3.025 -12.929 4.878
224 H MET 27 H MET 27 8.323 -10.271 1.215
225 HA MET 27 HA MET 27 9.942 -10.882 -0.101
226 HB2 MET 27 1HB MET 27 7.890 -13.048 -0.567
227 HB3 MET 27 2HB MET 27 9.223 -12.987 -1.703
228 HG2 MET 27 1HG MET 27 10.608 -12.737 0.653
229 HG3 MET 27 2HG MET 27 9.242 -13.682 1.209
230 HE1 MET 27 1HE MET 27 11.989 -15.589 1.347
231 HE2 MET 27 2HE MET 27 12.867 -15.317 -0.177
232 HE3 MET 27 3HE MET 27 12.353 -13.930 0.813
233 H SER 28 H SER 28 7.172 -11.727 -2.300
234 HA SER 28 HA SER 28 8.160 -9.618 -4.055
235 HB2 SER 28 1HB SER 28 7.266 -12.442 -4.712
236 HB3 SER 28 2HB SER 28 7.205 -11.181 -5.928
237 HG SER 28 HG SER 28 9.623 -10.914 -4.909
238 H ASP 29 H ASP 29 6.391 -8.867 -5.662
239 HA ASP 29 HA ASP 29 4.025 -8.448 -4.118
240 HB2 ASP 29 1HB ASP 29 3.479 -7.185 -6.443
241 HB3 ASP 29 2HB ASP 29 4.490 -6.470 -5.204
242 HD2 ASP 29 HD ASP 29 4.682 -6.153 -8.234
243 H LEU 30 H LEU 30 5.153 -10.167 -7.057
244 HA LEU 30 HA LEU 30 2.892 -10.716 -8.402
245 HB2 LEU 30 1HB LEU 30 5.354 -12.307 -7.819
246 HB3 LEU 30 2HB LEU 30 4.038 -13.064 -8.694
247 HG LEU 30 HG LEU 30 5.386 -10.488 -9.548
248 HD11 LEU 30 1HD1 LEU 30 6.890 -12.519 -9.524
249 HD12 LEU 30 2HD1 LEU 30 5.816 -13.227 -10.755
250 HD13 LEU 30 3HD1 LEU 30 6.690 -11.715 -11.099
251 HD21 LEU 30 1HD2 LEU 30 3.430 -12.313 -10.972
252 HD22 LEU 30 2HD2 LEU 30 3.128 -10.657 -10.393
253 HD23 LEU 30 3HD2 LEU 30 4.284 -10.939 -11.716
254 H THR 31 H THR 31 4.073 -12.477 -5.461
255 HA THR 31 HA THR 31 1.810 -14.177 -5.351
256 HB THR 31 HB THR 31 2.799 -14.794 -3.170
257 HG1 THR 31 1HG THR 31 4.375 -13.327 -2.291
258 HG21 THR 31 1HG2 THR 31 5.287 -14.019 -4.678
259 HG22 THR 31 2HG2 THR 31 4.864 -15.577 -3.928
260 HG23 THR 31 3HG2 THR 31 4.159 -15.125 -5.499
261 H ILE 32 H ILE 32 0.604 -14.185 -3.020
262 HA ILE 32 HA ILE 32 -1.128 -11.965 -3.206
263 HB ILE 32 HB ILE 32 -1.001 -14.518 -1.871
264 HG12 ILE 32 1HG1 ILE 32 -3.594 -13.881 -1.850
265 HG13 ILE 32 2HG1 ILE 32 -3.053 -12.648 -2.973
266 HG21 ILE 32 1HG2 ILE 32 -1.906 -12.155 -0.218
267 HG22 ILE 32 2HG2 ILE 32 -2.455 -13.822 0.078
268 HG23 ILE 32 3HG2 ILE 32 -0.726 -13.418 0.207
269 HD11 ILE 32 1HD1 ILE 32 -3.682 -14.660 -4.223
270 HD12 ILE 32 2HD1 ILE 32 -1.922 -14.427 -4.348
271 HD13 ILE 32 3HD1 ILE 32 -2.581 -15.653 -3.237
272 HA PRO 33 HA PRO 33 0.807 -9.218 -0.497
273 HB2 PRO 33 1HB PRO 33 -1.299 -7.651 0.264
274 HB3 PRO 33 2HB PRO 33 -0.464 -7.457 -1.263
275 HG2 PRO 33 1HG PRO 33 -3.117 -8.651 -0.743
276 HG3 PRO 33 2HG PRO 33 -2.454 -8.065 -2.256
277 HD2 PRO 33 1HD PRO 33 -2.714 -10.804 -1.442
278 HD3 PRO 33 2HD PRO 33 -1.948 -10.213 -2.903
279 H VAL 34 H VAL 34 0.809 -8.228 1.757
280 HA VAL 34 HA VAL 34 -0.066 -10.400 3.520
281 HB VAL 34 HB VAL 34 1.681 -9.764 4.981
282 HG11 VAL 34 1HG1 VAL 34 3.672 -9.578 3.187
283 HG12 VAL 34 2HG1 VAL 34 2.771 -11.086 3.477
284 HG13 VAL 34 3HG1 VAL 34 2.351 -10.051 2.092
285 HG21 VAL 34 1HG2 VAL 34 1.817 -7.252 3.318
286 HG22 VAL 34 2HG2 VAL 34 1.671 -7.432 5.083
287 HG23 VAL 34 3HG2 VAL 34 3.216 -7.791 4.276
288 H LYS 35 H LYS 35 -0.083 -6.846 2.976
289 HA LYS 35 HA LYS 35 -2.536 -6.673 4.451
290 HB2 LYS 35 1HB LYS 35 0.039 -5.605 5.579
291 HB3 LYS 35 2HB LYS 35 -1.458 -4.739 5.864
292 HG2 LYS 35 1HG LYS 35 -2.439 -7.044 6.605
293 HG3 LYS 35 2HG LYS 35 -0.776 -7.599 6.653
294 HD2 LYS 35 1HD LYS 35 -0.778 -5.098 8.017
295 HD3 LYS 35 2HD LYS 35 -2.213 -5.934 8.576
296 HE2 LYS 35 1HE LYS 35 -1.007 -7.588 9.646
297 HE3 LYS 35 2HE LYS 35 0.232 -7.638 8.409
298 HZ1 LYS 35 1HZ LYS 35 0.007 -5.711 10.640
299 HZ2 LYS 35 2HZ LYS 35 1.269 -6.670 10.269
300 HZ3 LYS 35 3HZ LYS 35 0.898 -5.402 9.303
301 H ARG 36 H ARG 36 -3.172 -4.160 4.495
302 HA ARG 36 HA ARG 36 -1.991 -2.622 2.467
303 HB2 ARG 36 1HB ARG 36 -4.084 -2.554 0.988
304 HB3 ARG 36 2HB ARG 36 -3.157 -4.039 0.894
305 HG2 ARG 36 1HG ARG 36 -5.246 -4.976 1.210
306 HG3 ARG 36 2HG ARG 36 -4.807 -4.774 2.895
307 HD2 ARG 36 1HD ARG 36 -5.962 -2.293 1.884
308 HD3 ARG 36 2HD ARG 36 -7.042 -3.628 1.537
309 HE ARG 36 HE ARG 36 -6.408 -4.143 4.139
310 HH11 ARG 36 1HH ARG 36 -8.153 -1.781 5.994
311 HH12 ARG 36 2HH1 ARG 36 -7.394 -3.297 5.974
312 HH21 ARG 36 1HH2 ARG 36 -8.171 -0.497 3.970
313 HH22 ARG 36 2HH2 ARG 36 -7.415 -1.140 2.551
314 H GLY 37 H GLY 37 -3.660 -0.643 1.959
315 HA2 GLY 37 1HA GLY 37 -5.737 -0.015 3.671
316 HA3 GLY 37 2HA GLY 37 -4.275 0.502 4.487
317 H CYS 38 H CYS 38 -5.719 2.606 4.027
318 HA CYS 38 HA CYS 38 -5.181 3.611 1.358
319 HB2 CYS 38 1HB CYS 38 -6.657 5.120 3.514
320 HB3 CYS 38 2HB CYS 38 -6.777 5.288 1.774
321 H ILE 39 H ILE 39 -4.120 5.777 1.134
322 HA ILE 39 HA ILE 39 -2.716 6.795 3.421
323 HB ILE 39 HB ILE 39 -1.345 4.847 2.687
324 HG12 ILE 39 1HG1 ILE 39 0.342 7.241 2.163
325 HG13 ILE 39 2HG1 ILE 39 -0.572 7.242 3.658
326 HG21 ILE 39 1HG2 ILE 39 -1.315 4.562 0.449
327 HG22 ILE 39 2HG2 ILE 39 -1.496 6.300 0.109
328 HG23 ILE 39 3HG2 ILE 39 0.097 5.641 0.550
329 HD11 ILE 39 1HD1 ILE 39 0.357 4.747 3.870
330 HD12 ILE 39 2HD1 ILE 39 1.608 5.361 2.763
331 HD13 ILE 39 3HD1 ILE 39 1.363 6.137 4.346
332 H ASP 40 H ASP 40 -1.286 8.736 2.657
333 HA ASP 40 HA ASP 40 -2.889 10.089 0.652
334 HB2 ASP 40 1HB ASP 40 -2.821 11.318 2.709
335 HB3 ASP 40 2HB ASP 40 -1.109 11.016 2.933
336 HD2 ASP 40 HD ASP 40 -2.612 13.876 0.670
337 H VAL 41 H VAL 41 0.417 9.094 1.622
338 HA VAL 41 HA VAL 41 1.339 9.818 -1.061
339 HB VAL 41 HB VAL 41 2.006 11.565 0.562
340 HG11 VAL 41 1HG1 VAL 41 2.329 10.666 2.645
341 HG12 VAL 41 2HG1 VAL 41 3.090 9.186 2.016
342 HG13 VAL 41 3HG1 VAL 41 4.016 10.705 2.082
343 HG21 VAL 41 1HG2 VAL 41 4.667 10.631 0.091
344 HG22 VAL 41 2HG2 VAL 41 3.651 10.132 -1.283
345 HG23 VAL 41 3HG2 VAL 41 3.736 11.848 -0.816
346 H CYS 42 H CYS 42 2.687 8.290 -2.012
347 HA CYS 42 HA CYS 42 2.576 5.710 -0.914
348 HB2 CYS 42 1HB CYS 42 2.664 6.305 -3.371
349 HB3 CYS 42 2HB CYS 42 4.369 6.653 -3.171
350 HA PRO 43 HA PRO 43 6.135 6.278 1.621
351 HB2 PRO 43 1HB PRO 43 5.998 3.896 2.954
352 HB3 PRO 43 2HB PRO 43 5.112 5.325 3.451
353 HG2 PRO 43 1HG PRO 43 4.104 2.898 2.097
354 HG3 PRO 43 2HG PRO 43 3.204 4.122 2.970
355 HD2 PRO 43 1HD PRO 43 3.386 3.828 0.122
356 HD3 PRO 43 2HD PRO 43 2.581 5.118 0.993
357 H LYS 44 H LYS 44 8.214 5.074 2.201
358 HA LYS 44 HA LYS 44 9.260 4.217 -0.312
359 HB2 LYS 44 1HB LYS 44 10.515 4.331 2.447
360 HB3 LYS 44 2HB LYS 44 11.378 4.014 0.956
361 HG2 LYS 44 1HG LYS 44 11.646 6.266 0.783
362 HG3 LYS 44 2HG LYS 44 9.952 6.335 0.341
363 HD2 LYS 44 1HD LYS 44 10.243 7.883 2.166
364 HD3 LYS 44 2HD LYS 44 9.383 6.504 2.819
365 HE2 LYS 44 1HE LYS 44 11.070 6.891 4.436
366 HE3 LYS 44 2HE LYS 44 11.733 5.578 3.483
367 HZ1 LYS 44 1HZ LYS 44 13.059 7.844 3.946
368 HZ2 LYS 44 2HZ LYS 44 13.333 6.936 2.622
369 HZ3 LYS 44 3HZ LYS 44 12.321 8.219 2.536
370 H ASN 45 H ASN 45 9.576 2.170 -1.073
371 HA ASN 45 HA ASN 45 8.270 0.095 0.315
372 HB2 ASN 45 1HB ASN 45 8.295 0.151 -2.152
373 HB3 ASN 45 2HB ASN 45 10.047 0.122 -2.178
374 HD21 ASN 45 1HD2 ASN 45 10.564 -1.737 -3.080
375 HD22 ASN 45 2HD2 ASN 45 10.044 -3.311 -2.578
376 H SER 46 H SER 46 9.492 -2.120 0.640
377 HA SER 46 HA SER 46 12.179 -1.534 1.616
378 HB2 SER 46 1HB SER 46 11.799 -3.149 3.430
379 HB3 SER 46 2HB SER 46 10.575 -1.895 3.473
380 HG SER 46 HG SER 46 9.576 -3.803 1.881
381 H LEU 47 H LEU 47 13.293 -3.930 2.048
382 HA LEU 47 HA LEU 47 13.162 -5.184 -0.577
383 HB2 LEU 47 1HB LEU 47 15.198 -5.992 1.414
384 HB3 LEU 47 2HB LEU 47 15.335 -5.747 -0.316
385 HG LEU 47 HG LEU 47 15.156 -3.521 1.734
386 HD11 LEU 47 1HD1 LEU 47 17.426 -5.107 0.737
387 HD12 LEU 47 2HD1 LEU 47 17.651 -3.344 0.638
388 HD13 LEU 47 3HD1 LEU 47 17.268 -4.106 2.200
389 HD21 LEU 47 1HD2 LEU 47 15.429 -3.550 -1.262
390 HD22 LEU 47 2HD2 LEU 47 14.343 -2.588 -0.230
391 HD23 LEU 47 3HD2 LEU 47 16.080 -2.204 -0.295
392 H LEU 48 H LEU 48 11.962 -5.556 2.620
393 HA LEU 48 HA LEU 48 11.874 -8.451 2.434
394 HB2 LEU 48 1HB LEU 48 11.455 -6.408 4.544
395 HB3 LEU 48 2HB LEU 48 10.509 -7.877 4.672
396 HG LEU 48 HG LEU 48 12.591 -7.965 5.981
397 HD11 LEU 48 1HD1 LEU 48 13.180 -10.004 3.936
398 HD12 LEU 48 2HD1 LEU 48 12.798 -10.177 5.665
399 HD13 LEU 48 3HD1 LEU 48 11.487 -9.953 4.484
400 HD21 LEU 48 1HD2 LEU 48 13.925 -6.530 4.418
401 HD22 LEU 48 2HD2 LEU 48 14.762 -7.994 4.989
402 HD23 LEU 48 3HD2 LEU 48 14.080 -7.942 3.346
403 H VAL 49 H VAL 49 9.617 -5.619 2.630
404 HA VAL 49 HA VAL 49 7.587 -7.374 1.427
405 HB VAL 49 HB VAL 49 6.915 -4.915 2.998
406 HG11 VAL 49 1HG1 VAL 49 4.867 -6.173 3.483
407 HG12 VAL 49 2HG1 VAL 49 5.158 -6.077 1.729
408 HG13 VAL 49 3HG1 VAL 49 5.513 -7.583 2.611
409 HG21 VAL 49 1HG2 VAL 49 6.632 -6.871 4.881
410 HG22 VAL 49 2HG2 VAL 49 8.137 -7.381 4.080
411 HG23 VAL 49 3HG2 VAL 49 8.014 -5.752 4.786
412 H LYS 50 H LYS 50 6.517 -6.637 -0.411
413 HA LYS 50 HA LYS 50 7.778 -4.343 -1.670
414 HB2 LYS 50 1HB LYS 50 7.642 -6.461 -2.904
415 HB3 LYS 50 2HB LYS 50 5.896 -6.458 -2.761
416 HG2 LYS 50 1HG LYS 50 6.313 -5.544 -4.922
417 HG3 LYS 50 2HG LYS 50 5.938 -4.150 -3.928
418 HD2 LYS 50 1HD LYS 50 7.884 -3.488 -5.120
419 HD3 LYS 50 2HD LYS 50 8.494 -3.930 -3.537
420 HE2 LYS 50 1HE LYS 50 8.871 -6.310 -4.547
421 HE3 LYS 50 2HE LYS 50 8.633 -5.552 -6.109
422 HZ1 LYS 50 1HZ LYS 50 10.789 -4.972 -5.979
423 HZ2 LYS 50 2HZ LYS 50 10.421 -3.918 -4.793
424 HZ3 LYS 50 3HZ LYS 50 10.867 -5.446 -4.415
425 H TYR 51 H TYR 51 6.735 -2.429 -2.177
426 HA TYR 51 HA TYR 51 4.057 -2.166 -1.001
427 HB2 TYR 51 1HB TYR 51 6.506 -0.412 -1.516
428 HB3 TYR 51 2HB TYR 51 4.945 0.369 -1.363
429 HD1 TYR 51 1HD TYR 51 5.951 -2.647 0.553
430 HD2 TYR 51 2HD TYR 51 5.395 1.595 0.644
431 HE1 TYR 51 1HE TYR 51 6.188 -2.662 3.085
432 HE2 TYR 51 2HE TYR 51 5.633 1.565 3.174
433 HH TYR 51 HH TYR 51 6.382 -1.454 4.878
434 H VAL 52 H VAL 52 2.325 -1.576 -2.253
435 HA VAL 52 HA VAL 52 2.920 -0.638 -4.963
436 HB VAL 52 HB VAL 52 0.734 -2.622 -4.386
437 HG11 VAL 52 1HG1 VAL 52 2.253 -2.054 -6.949
438 HG12 VAL 52 2HG1 VAL 52 0.757 -2.999 -6.752
439 HG13 VAL 52 3HG1 VAL 52 0.737 -1.238 -6.494
440 HG21 VAL 52 1HG2 VAL 52 3.624 -3.221 -5.087
441 HG22 VAL 52 2HG2 VAL 52 2.710 -3.775 -3.664
442 HG23 VAL 52 3HG2 VAL 52 2.291 -4.384 -5.283
443 H CYS 53 H CYS 53 2.160 1.417 -4.973
444 HA CYS 53 HA CYS 53 -0.231 1.961 -3.404
445 HB2 CYS 53 1HB CYS 53 1.693 3.903 -4.725
446 HB3 CYS 53 2HB CYS 53 0.349 4.330 -3.686
447 H CYS 54 H CYS 54 -1.938 3.363 -4.479
448 HA CYS 54 HA CYS 54 -1.901 3.396 -7.348
449 HB2 CYS 54 1HB CYS 54 -4.226 2.220 -7.359
450 HB3 CYS 54 2HB CYS 54 -2.767 1.249 -7.350
451 H ASN 55 H ASN 55 -4.156 4.420 -8.077
452 HA ASN 55 HA ASN 55 -5.183 6.092 -5.944
453 HB2 ASN 55 1HB ASN 55 -5.074 8.098 -7.440
454 HB3 ASN 55 2HB ASN 55 -3.473 7.466 -7.106
455 HD21 ASN 55 1HD2 ASN 55 -3.804 9.074 -9.222
456 HD22 ASN 55 2HD2 ASN 55 -3.676 8.214 -10.721
457 H THR 56 H THR 56 -6.241 3.705 -7.298
458 HA THR 56 HA THR 56 -8.557 4.930 -8.626
459 HB THR 56 HB THR 56 -8.440 2.822 -10.152
460 HG1 THR 56 1HG THR 56 -6.273 1.902 -10.142
461 HG21 THR 56 1HG2 THR 56 -7.506 5.286 -10.676
462 HG22 THR 56 2HG2 THR 56 -5.931 4.468 -10.537
463 HG23 THR 56 3HG2 THR 56 -7.114 3.924 -11.752
464 H ASP 57 H ASP 57 -10.552 3.951 -8.241
465 HA ASP 57 HA ASP 57 -10.780 2.777 -5.760
466 HB2 ASP 57 1HB ASP 57 -12.816 2.390 -7.981
467 HB3 ASP 57 2HB ASP 57 -13.118 2.571 -6.264
468 HD2 ASP 57 HD ASP 57 -11.847 5.905 -6.551
469 H ARG 58 H ARG 58 -10.821 0.584 -5.102
470 HA ARG 58 HA ARG 58 -10.659 -1.570 -5.182
471 HB2 ARG 58 1HB ARG 58 -11.543 -1.593 -8.100
472 HB3 ARG 58 2HB ARG 58 -11.771 -2.855 -6.906
473 HG2 ARG 58 1HG ARG 58 -13.156 -1.058 -5.581
474 HG3 ARG 58 2HG ARG 58 -13.186 -0.172 -7.093
475 HD2 ARG 58 1HD ARG 58 -14.016 -3.099 -6.974
476 HD3 ARG 58 2HD ARG 58 -15.154 -1.823 -6.594
477 HE ARG 58 HE ARG 58 -13.993 -2.410 -9.248
478 HH11 ARG 58 1HH ARG 58 -16.012 -0.082 -10.851
479 HH12 ARG 58 2HH1 ARG 58 -14.922 -1.371 -11.013
480 HH21 ARG 58 1HH2 ARG 58 -16.580 0.651 -8.641
481 HH22 ARG 58 2HH2 ARG 58 -15.870 -0.144 -7.275
482 H CYS 59 H CYS 59 -8.428 0.201 -6.041
483 HA CYS 59 HA CYS 59 -7.113 -1.072 -8.212
484 HB2 CYS 59 1HB CYS 59 -5.242 0.391 -7.680
485 HB3 CYS 59 2HB CYS 59 -6.741 1.300 -7.685
486 H ASN 60 H ASN 60 -7.380 -1.479 -4.704
487 HA ASN 60 HA ASN 60 -5.201 -3.404 -4.808
488 HB2 ASN 60 1HB ASN 60 -5.162 -3.209 -2.327
489 HB3 ASN 60 2HB ASN 60 -4.996 -1.628 -3.064
490 HD21 ASN 60 1HD2 ASN 60 -5.739 -1.668 -0.535
491 HD22 ASN 60 2HD2 ASN 60 -7.412 -1.276 -0.314
492 H1 HOH 101 1H HOH 61 3.708 -12.552 -0.812
493 H2 HOH 101 2H HOH 61 2.594 -12.769 0.188
Start of MODEL 18
1 H1 LEU 1 H LEU 1 -10.412 8.646 -3.053
2 HA LEU 1 HA LEU 1 -12.349 7.139 -4.014
3 HB2 LEU 1 1HB LEU 1 -10.793 6.054 -5.332
4 HB3 LEU 1 2HB LEU 1 -10.014 7.565 -4.909
5 HG LEU 1 HG LEU 1 -9.384 5.368 -3.058
6 HD11 LEU 1 1HD1 LEU 1 -9.487 3.918 -4.913
7 HD12 LEU 1 2HD1 LEU 1 -8.731 5.112 -5.995
8 HD13 LEU 1 3HD1 LEU 1 -7.766 4.329 -4.721
9 HD21 LEU 1 1HD2 LEU 1 -7.018 6.227 -3.795
10 HD22 LEU 1 2HD2 LEU 1 -7.950 7.578 -4.487
11 HD23 LEU 1 3HD2 LEU 1 -8.059 7.220 -2.746
12 H LYS 2 H LYS 2 -12.404 4.580 -4.166
13 HA LYS 2 HA LYS 2 -12.540 3.662 -1.385
14 HB2 LYS 2 1HB LYS 2 -14.159 3.038 -3.848
15 HB3 LYS 2 2HB LYS 2 -14.111 1.913 -2.505
16 HG2 LYS 2 1HG LYS 2 -15.195 3.387 -1.037
17 HG3 LYS 2 2HG LYS 2 -14.627 4.817 -1.875
18 HD2 LYS 2 1HD LYS 2 -16.815 4.845 -2.624
19 HD3 LYS 2 2HD LYS 2 -16.138 3.814 -3.870
20 HE2 LYS 2 1HE LYS 2 -16.702 1.873 -2.101
21 HE3 LYS 2 2HE LYS 2 -17.846 3.054 -1.496
22 HZ1 LYS 2 1HZ LYS 2 -18.926 3.124 -3.603
23 HZ2 LYS 2 2HZ LYS 2 -17.729 2.328 -4.369
24 HZ3 LYS 2 3HZ LYS 2 -18.653 1.545 -3.269
25 H CYS 3 H CYS 3 -11.673 1.622 -0.802
26 HA CYS 3 HA CYS 3 -10.193 0.226 -2.869
27 HB2 CYS 3 1HB CYS 3 -8.882 1.398 -0.398
28 HB3 CYS 3 2HB CYS 3 -8.160 0.130 -1.367
29 H ASN 4 H ASN 4 -9.580 -1.994 -2.098
30 HA ASN 4 HA ASN 4 -11.591 -2.924 -0.277
31 HB2 ASN 4 1HB ASN 4 -9.581 -4.258 -2.139
32 HB3 ASN 4 2HB ASN 4 -10.443 -5.212 -0.948
33 HD21 ASN 4 1HD2 ASN 4 -10.630 -3.380 -3.875
34 HD22 ASN 4 2HD2 ASN 4 -12.250 -3.785 -4.337
35 H LYS 5 H LYS 5 -10.749 -4.822 1.290
36 HA LYS 5 HA LYS 5 -8.478 -3.702 2.733
37 HB2 LYS 5 1HB LYS 5 -10.367 -5.858 3.693
38 HB3 LYS 5 2HB LYS 5 -9.318 -4.829 4.648
39 HG2 LYS 5 1HG LYS 5 -11.048 -3.381 4.873
40 HG3 LYS 5 2HG LYS 5 -10.906 -3.019 3.165
41 HD2 LYS 5 1HD LYS 5 -13.092 -3.757 3.139
42 HD3 LYS 5 2HD LYS 5 -12.319 -5.318 2.951
43 HE2 LYS 5 1HE LYS 5 -13.471 -5.946 4.816
44 HE3 LYS 5 2HE LYS 5 -12.302 -5.003 5.717
45 HZ1 LYS 5 1HZ LYS 5 -14.465 -3.441 4.592
46 HZ2 LYS 5 2HZ LYS 5 -14.944 -4.507 5.726
47 HZ3 LYS 5 3HZ LYS 5 -13.778 -3.414 6.076
48 H LEU 6 H LEU 6 -8.368 -6.568 4.022
49 HA LEU 6 HA LEU 6 -6.075 -7.395 2.741
50 HB2 LEU 6 1HB LEU 6 -6.983 -7.986 5.036
51 HB3 LEU 6 2HB LEU 6 -7.976 -9.191 4.240
52 HG LEU 6 HG LEU 6 -5.974 -10.193 5.185
53 HD11 LEU 6 1HD1 LEU 6 -6.975 -10.663 2.693
54 HD12 LEU 6 2HD1 LEU 6 -5.249 -10.414 2.338
55 HD13 LEU 6 3HD1 LEU 6 -5.745 -11.663 3.506
56 HD21 LEU 6 1HD2 LEU 6 -3.748 -9.638 4.523
57 HD22 LEU 6 2HD2 LEU 6 -4.333 -8.498 3.288
58 HD23 LEU 6 3HD2 LEU 6 -4.557 -8.131 5.015
59 H VAL 7 H VAL 7 -9.496 -8.004 1.992
60 HA VAL 7 HA VAL 7 -8.583 -9.596 -0.304
61 HB VAL 7 HB VAL 7 -11.115 -9.856 1.329
62 HG11 VAL 7 1HG1 VAL 7 -11.465 -10.226 -1.112
63 HG12 VAL 7 2HG1 VAL 7 -10.228 -11.505 -1.062
64 HG13 VAL 7 3HG1 VAL 7 -11.735 -11.685 -0.130
65 HG21 VAL 7 1HG2 VAL 7 -8.926 -10.772 2.280
66 HG22 VAL 7 2HG2 VAL 7 -10.278 -11.920 2.124
67 HG23 VAL 7 3HG2 VAL 7 -8.953 -11.936 0.934
68 HA PRO 8 HA PRO 8 -10.464 -6.430 -2.589
69 HB2 PRO 8 1HB PRO 8 -10.388 -7.574 -5.069
70 HB3 PRO 8 2HB PRO 8 -9.016 -6.754 -4.350
71 HG2 PRO 8 1HG PRO 8 -9.474 -9.656 -4.684
72 HG3 PRO 8 2HG PRO 8 -7.971 -8.811 -4.370
73 HD2 PRO 8 1HD PRO 8 -9.533 -10.295 -2.477
74 HD3 PRO 8 2HD PRO 8 -8.093 -9.354 -2.140
75 H ILE 9 H ILE 9 -12.261 -7.771 -1.042
76 HA ILE 9 HA ILE 9 -14.441 -8.070 -2.987
77 HB ILE 9 HB ILE 9 -13.684 -10.225 -2.013
78 HG12 ILE 9 1HG1 ILE 9 -16.087 -10.790 -1.110
79 HG13 ILE 9 2HG1 ILE 9 -16.469 -9.161 -1.636
80 HG21 ILE 9 1HG2 ILE 9 -13.318 -10.513 0.156
81 HG22 ILE 9 2HG2 ILE 9 -13.600 -8.770 0.386
82 HG23 ILE 9 3HG2 ILE 9 -14.946 -9.921 0.567
83 HD11 ILE 9 1HD1 ILE 9 -15.013 -11.074 -3.491
84 HD12 ILE 9 2HD1 ILE 9 -16.786 -11.110 -3.341
85 HD13 ILE 9 3HD1 ILE 9 -15.972 -9.634 -3.908
86 H ALA 10 H ALA 10 -13.255 -6.907 0.171
87 HA ALA 10 HA ALA 10 -15.744 -5.356 0.397
88 HB1 ALA 10 1HB ALA 10 -15.879 -6.538 2.341
89 HB2 ALA 10 2HB ALA 10 -14.143 -6.932 2.344
90 HB3 ALA 10 3HB ALA 10 -14.695 -5.338 2.913
91 H TYR 11 H TYR 11 -15.491 -3.207 0.064
92 HA TYR 11 HA TYR 11 -12.917 -2.022 0.801
93 HB2 TYR 11 1HB TYR 11 -13.132 -0.749 -1.421
94 HB3 TYR 11 2HB TYR 11 -12.867 -2.468 -1.639
95 HD1 TYR 11 1HD TYR 11 -15.134 0.309 -2.195
96 HD2 TYR 11 2HD TYR 11 -14.809 -3.958 -2.246
97 HE1 TYR 11 1HE TYR 11 -17.234 0.158 -3.620
98 HE2 TYR 11 2HE TYR 11 -16.911 -4.093 -3.671
99 HH TYR 11 HH TYR 11 -18.425 -1.180 -4.929
100 H LYS 12 H LYS 12 -13.025 0.217 1.368
101 HA LYS 12 HA LYS 12 -15.745 1.296 1.508
102 HB2 LYS 12 1HB LYS 12 -14.549 0.226 3.700
103 HB3 LYS 12 2HB LYS 12 -13.963 1.874 3.806
104 HG2 LYS 12 1HG LYS 12 -15.978 2.178 4.896
105 HG3 LYS 12 2HG LYS 12 -16.543 2.444 3.258
106 HD2 LYS 12 1HD LYS 12 -18.095 0.868 4.048
107 HD3 LYS 12 2HD LYS 12 -16.945 -0.155 3.209
108 HE2 LYS 12 1HE LYS 12 -16.330 -1.213 5.133
109 HE3 LYS 12 2HE LYS 12 -16.107 0.302 5.985
110 HZ1 LYS 12 1HZ LYS 12 -18.268 -1.470 6.209
111 HZ2 LYS 12 2HZ LYS 12 -18.048 -0.076 7.020
112 HZ3 LYS 12 3HZ LYS 12 -18.815 -0.065 5.576
113 H THR 13 H THR 13 -15.490 3.773 2.265
114 HA THR 13 HA THR 13 -13.675 4.906 0.298
115 HB THR 13 HB THR 13 -16.179 5.686 1.765
116 HG1 THR 13 1HG THR 13 -15.043 6.431 -0.820
117 HG21 THR 13 1HG2 THR 13 -15.248 7.748 2.320
118 HG22 THR 13 2HG2 THR 13 -13.912 7.564 1.158
119 HG23 THR 13 3HG2 THR 13 -15.524 8.061 0.589
120 H CYS 14 H CYS 14 -11.898 6.140 0.693
121 HA CYS 14 HA CYS 14 -11.250 6.470 3.533
122 HB2 CYS 14 1HB CYS 14 -9.529 5.587 1.225
123 HB3 CYS 14 2HB CYS 14 -8.802 6.432 2.578
124 HA PRO 15 HA PRO 15 -11.471 10.533 1.514
125 HB2 PRO 15 1HB PRO 15 -13.035 11.776 3.379
126 HB3 PRO 15 2HB PRO 15 -13.683 11.010 1.942
127 HG2 PRO 15 1HG PRO 15 -13.740 10.052 4.738
128 HG3 PRO 15 2HG PRO 15 -14.724 9.539 3.381
129 HD2 PRO 15 1HD PRO 15 -12.496 8.133 4.514
130 HD3 PRO 15 2HD PRO 15 -13.406 7.679 3.088
131 H GLU 16 H GLU 16 -11.200 10.010 4.992
132 HA GLU 16 HA GLU 16 -9.956 12.176 5.784
133 HB2 GLU 16 1HB GLU 16 -9.243 9.286 6.407
134 HB3 GLU 16 2HB GLU 16 -8.508 10.625 7.268
135 HG2 GLU 16 1HG GLU 16 -11.532 10.316 7.026
136 HG3 GLU 16 2HG GLU 16 -10.621 9.578 8.329
137 HE2 GLU 16 HE GLU 16 -11.565 12.493 6.929
138 H GLY 17 H GLY 17 -8.763 13.290 4.163
139 HA2 GLY 17 1HA GLY 17 -7.100 13.485 2.554
140 HA3 GLY 17 2HA GLY 17 -6.197 13.471 4.056
141 H LYS 18 H LYS 18 -7.886 10.835 2.203
142 HA LYS 18 HA LYS 18 -5.285 9.583 1.787
143 HB2 LYS 18 1HB LYS 18 -7.602 8.384 3.305
144 HB3 LYS 18 2HB LYS 18 -6.442 7.370 2.467
145 HG2 LYS 18 1HG LYS 18 -4.705 7.906 3.913
146 HG3 LYS 18 2HG LYS 18 -5.289 9.535 4.192
147 HD2 LYS 18 1HD LYS 18 -6.211 8.851 6.144
148 HD3 LYS 18 2HD LYS 18 -7.297 7.808 5.248
149 HE2 LYS 18 1HE LYS 18 -6.125 6.374 6.784
150 HE3 LYS 18 2HE LYS 18 -5.437 6.049 5.205
151 HZ1 LYS 18 1HZ LYS 18 -3.865 6.534 7.201
152 HZ2 LYS 18 2HZ LYS 18 -3.493 7.179 5.752
153 HZ3 LYS 18 3HZ LYS 18 -4.240 8.095 6.884
154 H ASN 19 H ASN 19 -5.780 10.565 -0.368
155 HA ASN 19 HA ASN 19 -7.965 9.284 -1.735
156 HB2 ASN 19 1HB ASN 19 -7.054 11.807 -1.940
157 HB3 ASN 19 2HB ASN 19 -5.952 11.092 -3.101
158 HD21 ASN 19 1HD2 ASN 19 -7.072 12.535 -4.576
159 HD22 ASN 19 2HD2 ASN 19 -8.534 12.020 -5.350
160 H LEU 20 H LEU 20 -5.283 7.989 -0.751
161 HA LEU 20 HA LEU 20 -4.672 6.714 -3.308
162 HB2 LEU 20 1HB LEU 20 -2.616 7.774 -1.364
163 HB3 LEU 20 2HB LEU 20 -2.270 6.726 -2.725
164 HG LEU 20 HG LEU 20 -3.366 9.547 -2.862
165 HD11 LEU 20 1HD1 LEU 20 -1.265 10.243 -3.619
166 HD12 LEU 20 2HD1 LEU 20 -0.904 9.146 -2.264
167 HD13 LEU 20 3HD1 LEU 20 -0.723 8.579 -3.942
168 HD21 LEU 20 1HD2 LEU 20 -3.513 7.396 -4.782
169 HD22 LEU 20 2HD2 LEU 20 -4.178 9.045 -4.865
170 HD23 LEU 20 3HD2 LEU 20 -2.514 8.728 -5.410
171 H CYS 21 H CYS 21 -3.801 4.523 -3.057
172 HA CYS 21 HA CYS 21 -4.296 3.447 -0.382
173 HB2 CYS 21 1HB CYS 21 -5.259 2.248 -2.999
174 HB3 CYS 21 2HB CYS 21 -5.300 1.426 -1.453
175 H TYR 22 H TYR 22 -3.107 1.328 -0.050
176 HA TYR 22 HA TYR 22 -0.964 0.850 -1.963
177 HB2 TYR 22 1HB TYR 22 0.713 1.149 -0.183
178 HB3 TYR 22 2HB TYR 22 -0.289 2.585 -0.163
179 HD1 TYR 22 1HD TYR 22 -1.584 3.168 1.757
180 HD2 TYR 22 2HD TYR 22 0.337 -0.650 1.553
181 HE1 TYR 22 1HE TYR 22 -2.086 2.775 4.218
182 HE2 TYR 22 2HE TYR 22 -0.171 -1.030 4.015
183 HH TYR 22 HH TYR 22 -0.599 0.322 5.991
184 H LYS 23 H LYS 23 0.178 -1.216 -1.536
185 HA LYS 23 HA LYS 23 -1.183 -2.966 0.346
186 HB2 LYS 23 1HB LYS 23 -1.299 -4.717 -1.538
187 HB3 LYS 23 2HB LYS 23 -2.533 -3.475 -1.478
188 HG2 LYS 23 1HG LYS 23 -0.427 -2.346 -3.018
189 HG3 LYS 23 2HG LYS 23 -0.554 -4.005 -3.567
190 HD2 LYS 23 1HD LYS 23 -2.312 -3.337 -4.843
191 HD3 LYS 23 2HD LYS 23 -3.234 -3.207 -3.358
192 HE2 LYS 23 1HE LYS 23 -1.488 -0.931 -4.395
193 HE3 LYS 23 2HE LYS 23 -3.169 -1.107 -4.857
194 HZ1 LYS 23 1HZ LYS 23 -3.712 -0.126 -2.928
195 HZ2 LYS 23 2HZ LYS 23 -3.043 -1.339 -2.072
196 HZ3 LYS 23 3HZ LYS 23 -2.129 -0.056 -2.515
197 H MET 24 H MET 24 0.296 -4.133 1.460
198 HA MET 24 HA MET 24 2.993 -4.087 0.402
199 HB2 MET 24 1HB MET 24 1.724 -4.502 3.140
200 HB3 MET 24 2HB MET 24 3.369 -5.044 2.871
201 HG2 MET 24 1HG MET 24 4.171 -2.919 3.016
202 HG3 MET 24 2HG MET 24 3.040 -2.346 1.807
203 HE1 MET 24 1HE MET 24 3.175 -0.814 5.744
204 HE2 MET 24 2HE MET 24 4.384 -1.509 4.638
205 HE3 MET 24 3HE MET 24 3.433 -0.090 4.139
206 H PHE 25 H PHE 25 3.958 -5.899 -0.431
207 HA PHE 25 HA PHE 25 2.565 -8.437 0.051
208 HB2 PHE 25 1HB PHE 25 4.399 -7.474 -2.226
209 HB3 PHE 25 2HB PHE 25 3.605 -9.035 -2.184
210 HD1 PHE 25 1HD PHE 25 3.230 -5.512 -2.920
211 HD2 PHE 25 2HD PHE 25 1.131 -9.166 -2.415
212 HE1 PHE 25 1HE PHE 25 1.239 -4.531 -4.093
213 HE2 PHE 25 2HE PHE 25 -0.860 -8.185 -3.589
214 HZ PHE 25 HZ PHE 25 -0.782 -5.879 -4.413
215 H MET 26 H MET 26 3.781 -10.293 0.594
216 HA MET 26 HA MET 26 6.313 -9.658 1.772
217 HB2 MET 26 1HB MET 26 4.218 -11.358 2.423
218 HB3 MET 26 2HB MET 26 5.331 -12.493 1.685
219 HG2 MET 26 1HG MET 26 7.158 -11.572 3.225
220 HG3 MET 26 2HG MET 26 5.919 -10.640 4.041
221 HE1 MET 26 1HE MET 26 5.640 -11.761 6.490
222 HE2 MET 26 2HE MET 26 4.229 -11.381 5.473
223 HE3 MET 26 3HE MET 26 4.284 -12.910 6.384
224 H MET 27 H MET 27 8.324 -10.182 0.967
225 HA MET 27 HA MET 27 9.863 -10.904 -0.387
226 HB2 MET 27 1HB MET 27 7.838 -13.143 -0.472
227 HB3 MET 27 2HB MET 27 9.094 -13.187 -1.693
228 HG2 MET 27 1HG MET 27 10.843 -13.055 0.089
229 HG3 MET 27 2HG MET 27 9.597 -12.982 1.318
230 HE1 MET 27 1HE MET 27 11.705 -15.325 -0.988
231 HE2 MET 27 2HE MET 27 12.080 -14.975 0.716
232 HE3 MET 27 3HE MET 27 11.610 -16.621 0.228
233 H SER 28 H SER 28 7.087 -12.162 -2.349
234 HA SER 28 HA SER 28 8.021 -10.416 -4.474
235 HB2 SER 28 1HB SER 28 7.674 -12.170 -5.854
236 HB3 SER 28 2HB SER 28 7.351 -13.147 -4.435
237 HG SER 28 HG SER 28 5.611 -12.292 -6.391
238 H ASP 29 H ASP 29 6.239 -9.488 -5.940
239 HA ASP 29 HA ASP 29 4.105 -8.568 -4.202
240 HB2 ASP 29 1HB ASP 29 3.995 -7.127 -6.620
241 HB3 ASP 29 2HB ASP 29 4.669 -6.565 -5.104
242 HD2 ASP 29 HD ASP 29 6.558 -6.791 -8.304
243 H LEU 30 H LEU 30 4.893 -10.043 -7.396
244 HA LEU 30 HA LEU 30 2.510 -10.007 -8.668
245 HB2 LEU 30 1HB LEU 30 4.706 -12.043 -8.524
246 HB3 LEU 30 2HB LEU 30 3.271 -12.362 -9.477
247 HG LEU 30 HG LEU 30 4.887 -9.843 -9.866
248 HD11 LEU 30 1HD1 LEU 30 6.487 -10.848 -11.076
249 HD12 LEU 30 2HD1 LEU 30 6.033 -12.299 -10.151
250 HD13 LEU 30 3HD1 LEU 30 5.362 -12.034 -11.778
251 HD21 LEU 30 1HD2 LEU 30 3.916 -10.184 -12.230
252 HD22 LEU 30 2HD2 LEU 30 2.791 -11.319 -11.445
253 HD23 LEU 30 3HD2 LEU 30 2.832 -9.613 -10.939
254 H THR 31 H THR 31 3.434 -11.906 -5.800
255 HA THR 31 HA THR 31 1.103 -13.570 -5.913
256 HB THR 31 HB THR 31 1.987 -14.342 -3.717
257 HG1 THR 31 1HG THR 31 3.856 -13.079 -2.920
258 HG21 THR 31 1HG2 THR 31 4.642 -14.182 -4.623
259 HG22 THR 31 2HG2 THR 31 3.497 -15.487 -5.013
260 HG23 THR 31 3HG2 THR 31 3.688 -14.111 -6.124
261 H ILE 32 H ILE 32 -0.148 -13.638 -3.598
262 HA ILE 32 HA ILE 32 -1.708 -11.273 -3.682
263 HB ILE 32 HB ILE 32 -1.856 -13.937 -2.580
264 HG12 ILE 32 1HG1 ILE 32 -4.394 -13.003 -2.606
265 HG13 ILE 32 2HG1 ILE 32 -3.647 -11.836 -3.679
266 HG21 ILE 32 1HG2 ILE 32 -2.569 -11.644 -0.757
267 HG22 ILE 32 2HG2 ILE 32 -3.404 -13.213 -0.665
268 HG23 ILE 32 3HG2 ILE 32 -1.647 -13.122 -0.396
269 HD11 ILE 32 1HD1 ILE 32 -4.112 -13.472 -5.242
270 HD12 ILE 32 2HD1 ILE 32 -2.530 -14.084 -4.702
271 HD13 ILE 32 3HD1 ILE 32 -4.028 -14.785 -4.044
272 HA PRO 33 HA PRO 33 0.335 -8.962 -0.662
273 HB2 PRO 33 1HB PRO 33 -1.649 -7.253 0.116
274 HB3 PRO 33 2HB PRO 33 -0.705 -7.025 -1.342
275 HG2 PRO 33 1HG PRO 33 -3.490 -7.976 -1.068
276 HG3 PRO 33 2HG PRO 33 -2.681 -7.342 -2.488
277 HD2 PRO 33 1HD PRO 33 -3.261 -10.094 -1.927
278 HD3 PRO 33 2HD PRO 33 -2.350 -9.473 -3.288
279 H VAL 34 H VAL 34 0.702 -8.565 1.577
280 HA VAL 34 HA VAL 34 -0.743 -10.569 3.129
281 HB VAL 34 HB VAL 34 1.085 -10.260 4.740
282 HG11 VAL 34 1HG1 VAL 34 2.403 -10.655 2.064
283 HG12 VAL 34 2HG1 VAL 34 2.624 -11.556 3.584
284 HG13 VAL 34 3HG1 VAL 34 1.148 -11.790 2.617
285 HG21 VAL 34 1HG2 VAL 34 3.028 -8.889 4.212
286 HG22 VAL 34 2HG2 VAL 34 2.271 -8.356 2.692
287 HG23 VAL 34 3HG2 VAL 34 1.562 -7.879 4.253
288 H LYS 35 H LYS 35 -0.130 -7.066 2.827
289 HA LYS 35 HA LYS 35 -2.397 -6.590 4.543
290 HB2 LYS 35 1HB LYS 35 -1.271 -5.194 6.132
291 HB3 LYS 35 2HB LYS 35 -0.496 -6.764 6.134
292 HG2 LYS 35 1HG LYS 35 1.251 -5.841 4.535
293 HG3 LYS 35 2HG LYS 35 0.512 -4.260 4.704
294 HD2 LYS 35 1HD LYS 35 1.075 -4.116 7.034
295 HD3 LYS 35 2HD LYS 35 1.408 -5.833 7.147
296 HE2 LYS 35 1HE LYS 35 3.099 -4.657 5.087
297 HE3 LYS 35 2HE LYS 35 3.259 -3.733 6.567
298 HZ1 LYS 35 1HZ LYS 35 4.406 -5.418 7.488
299 HZ2 LYS 35 2HZ LYS 35 3.270 -6.527 7.124
300 HZ3 LYS 35 3HZ LYS 35 4.403 -6.128 6.013
301 H ARG 36 H ARG 36 -2.997 -4.207 4.488
302 HA ARG 36 HA ARG 36 -1.739 -2.620 2.541
303 HB2 ARG 36 1HB ARG 36 -3.768 -2.476 1.001
304 HB3 ARG 36 2HB ARG 36 -2.903 -3.997 0.917
305 HG2 ARG 36 1HG ARG 36 -5.049 -4.837 1.150
306 HG3 ARG 36 2HG ARG 36 -4.640 -4.697 2.849
307 HD2 ARG 36 1HD ARG 36 -5.716 -2.180 1.712
308 HD3 ARG 36 2HD ARG 36 -6.847 -3.514 1.609
309 HE ARG 36 HE ARG 36 -5.811 -3.636 4.216
310 HH11 ARG 36 1HH ARG 36 -7.903 -1.400 5.856
311 HH12 ARG 36 2HH1 ARG 36 -6.821 -2.699 5.993
312 HH21 ARG 36 1HH2 ARG 36 -8.364 -0.536 3.669
313 HH22 ARG 36 2HH2 ARG 36 -7.590 -1.251 2.293
314 H GLY 37 H GLY 37 -3.718 -0.769 1.934
315 HA2 GLY 37 1HA GLY 37 -5.689 -0.135 3.687
316 HA3 GLY 37 2HA GLY 37 -4.240 0.400 4.515
317 H CYS 38 H CYS 38 -5.697 2.491 4.082
318 HA CYS 38 HA CYS 38 -5.186 3.531 1.422
319 HB2 CYS 38 1HB CYS 38 -6.671 4.982 3.614
320 HB3 CYS 38 2HB CYS 38 -6.789 5.202 1.879
321 H ILE 39 H ILE 39 -4.289 5.843 1.310
322 HA ILE 39 HA ILE 39 -2.875 6.849 3.549
323 HB ILE 39 HB ILE 39 -1.505 4.836 2.800
324 HG12 ILE 39 1HG1 ILE 39 0.159 7.321 2.680
325 HG13 ILE 39 2HG1 ILE 39 -0.820 7.046 4.107
326 HG21 ILE 39 1HG2 ILE 39 -1.684 6.191 0.302
327 HG22 ILE 39 2HG2 ILE 39 0.019 6.203 0.819
328 HG23 ILE 39 3HG2 ILE 39 -0.861 4.661 0.687
329 HD11 ILE 39 1HD1 ILE 39 1.398 6.063 4.448
330 HD12 ILE 39 2HD1 ILE 39 0.196 4.756 4.337
331 HD13 ILE 39 3HD1 ILE 39 1.245 5.120 2.946
332 H ASP 40 H ASP 40 -1.371 8.744 2.725
333 HA ASP 40 HA ASP 40 -2.907 10.013 0.605
334 HB2 ASP 40 1HB ASP 40 -2.779 11.054 2.949
335 HB3 ASP 40 2HB ASP 40 -1.071 11.323 2.660
336 HD2 ASP 40 HD ASP 40 -3.996 12.670 2.437
337 H VAL 41 H VAL 41 0.328 9.109 1.840
338 HA VAL 41 HA VAL 41 1.453 9.895 -0.754
339 HB VAL 41 HB VAL 41 2.051 11.528 0.990
340 HG11 VAL 41 1HG1 VAL 41 2.700 9.069 2.486
341 HG12 VAL 41 2HG1 VAL 41 3.939 10.343 2.587
342 HG13 VAL 41 3HG1 VAL 41 2.262 10.691 3.073
343 HG21 VAL 41 1HG2 VAL 41 4.710 10.609 0.765
344 HG22 VAL 41 2HG2 VAL 41 3.862 10.025 -0.688
345 HG23 VAL 41 3HG2 VAL 41 3.860 11.761 -0.293
346 H CYS 42 H CYS 42 2.878 8.403 -1.674
347 HA CYS 42 HA CYS 42 2.601 5.758 -0.754
348 HB2 CYS 42 1HB CYS 42 2.889 6.496 -3.158
349 HB3 CYS 42 2HB CYS 42 4.583 6.778 -2.809
350 HA PRO 43 HA PRO 43 5.972 6.035 2.061
351 HB2 PRO 43 1HB PRO 43 5.742 3.536 3.140
352 HB3 PRO 43 2HB PRO 43 4.816 4.912 3.704
353 HG2 PRO 43 1HG PRO 43 3.925 2.630 2.049
354 HG3 PRO 43 2HG PRO 43 2.956 3.767 2.964
355 HD2 PRO 43 1HD PRO 43 3.356 3.751 0.124
356 HD3 PRO 43 2HD PRO 43 2.482 4.953 1.052
357 H LYS 44 H LYS 44 8.066 4.979 2.584
358 HA LYS 44 HA LYS 44 9.265 4.285 0.113
359 HB2 LYS 44 1HB LYS 44 10.362 4.150 2.939
360 HB3 LYS 44 2HB LYS 44 11.306 4.039 1.466
361 HG2 LYS 44 1HG LYS 44 11.061 6.299 0.960
362 HG3 LYS 44 2HG LYS 44 9.482 6.414 1.710
363 HD2 LYS 44 1HD LYS 44 12.028 6.005 3.338
364 HD3 LYS 44 2HD LYS 44 11.431 7.600 2.923
365 HE2 LYS 44 1HE LYS 44 9.152 6.276 3.923
366 HE3 LYS 44 2HE LYS 44 10.447 5.715 4.962
367 HZ1 LYS 44 1HZ LYS 44 9.201 8.185 5.079
368 HZ2 LYS 44 2HZ LYS 44 10.502 7.721 5.941
369 HZ3 LYS 44 3HZ LYS 44 10.705 8.459 4.495
370 H ASN 45 H ASN 45 9.688 2.313 -0.790
371 HA ASN 45 HA ASN 45 8.321 0.112 0.296
372 HB2 ASN 45 1HB ASN 45 8.563 0.327 -2.132
373 HB3 ASN 45 2HB ASN 45 10.310 0.409 -2.010
374 HD21 ASN 45 1HD2 ASN 45 10.435 -1.325 -3.471
375 HD22 ASN 45 2HD2 ASN 45 10.194 -2.968 -2.977
376 H SER 46 H SER 46 9.261 -1.847 1.212
377 HA SER 46 HA SER 46 11.843 -1.366 2.397
378 HB2 SER 46 1HB SER 46 11.184 -3.637 3.569
379 HB3 SER 46 2HB SER 46 10.391 -2.148 4.044
380 HG SER 46 HG SER 46 9.248 -3.698 1.923
381 H LEU 47 H LEU 47 13.043 -3.766 2.715
382 HA LEU 47 HA LEU 47 13.500 -4.612 -0.045
383 HB2 LEU 47 1HB LEU 47 15.304 -5.462 2.144
384 HB3 LEU 47 2HB LEU 47 15.664 -4.991 0.495
385 HG LEU 47 HG LEU 47 14.779 -2.949 2.529
386 HD11 LEU 47 1HD1 LEU 47 17.308 -4.432 2.474
387 HD12 LEU 47 2HD1 LEU 47 17.511 -2.665 2.413
388 HD13 LEU 47 3HD1 LEU 47 16.596 -3.409 3.746
389 HD21 LEU 47 1HD2 LEU 47 16.715 -2.416 0.319
390 HD22 LEU 47 2HD2 LEU 47 14.999 -2.643 -0.093
391 HD23 LEU 47 3HD2 LEU 47 15.478 -1.363 1.045
392 H LEU 48 H LEU 48 11.921 -5.527 2.872
393 HA LEU 48 HA LEU 48 12.131 -8.364 2.215
394 HB2 LEU 48 1HB LEU 48 11.565 -6.777 4.641
395 HB3 LEU 48 2HB LEU 48 10.620 -8.243 4.462
396 HG LEU 48 HG LEU 48 12.660 -8.558 5.812
397 HD11 LEU 48 1HD1 LEU 48 11.968 -10.580 4.989
398 HD12 LEU 48 2HD1 LEU 48 12.192 -10.098 3.291
399 HD13 LEU 48 3HD1 LEU 48 13.606 -10.494 4.297
400 HD21 LEU 48 1HD2 LEU 48 14.087 -6.917 4.649
401 HD22 LEU 48 2HD2 LEU 48 14.869 -8.508 4.812
402 HD23 LEU 48 3HD2 LEU 48 14.180 -8.011 3.248
403 H VAL 49 H VAL 49 9.662 -5.782 2.853
404 HA VAL 49 HA VAL 49 7.749 -7.456 1.388
405 HB VAL 49 HB VAL 49 7.060 -5.069 3.075
406 HG11 VAL 49 1HG1 VAL 49 5.343 -6.090 1.596
407 HG12 VAL 49 2HG1 VAL 49 5.545 -7.629 2.466
408 HG13 VAL 49 3HG1 VAL 49 4.925 -6.198 3.323
409 HG21 VAL 49 1HG2 VAL 49 8.249 -7.556 4.015
410 HG22 VAL 49 2HG2 VAL 49 7.870 -6.063 4.906
411 HG23 VAL 49 3HG2 VAL 49 6.619 -7.309 4.685
412 H LYS 50 H LYS 50 6.734 -6.674 -0.460
413 HA LYS 50 HA LYS 50 8.025 -4.366 -1.635
414 HB2 LYS 50 1HB LYS 50 6.331 -6.632 -2.643
415 HB3 LYS 50 2HB LYS 50 6.464 -5.169 -3.599
416 HG2 LYS 50 1HG LYS 50 9.021 -6.316 -2.504
417 HG3 LYS 50 2HG LYS 50 8.242 -7.207 -3.796
418 HD2 LYS 50 1HD LYS 50 8.160 -5.060 -5.152
419 HD3 LYS 50 2HD LYS 50 9.074 -4.269 -3.884
420 HE2 LYS 50 1HE LYS 50 10.226 -6.841 -4.901
421 HE3 LYS 50 2HE LYS 50 10.228 -5.508 -6.038
422 HZ1 LYS 50 1HZ LYS 50 11.392 -5.420 -3.305
423 HZ2 LYS 50 2HZ LYS 50 12.240 -5.479 -4.694
424 HZ3 LYS 50 3HZ LYS 50 11.311 -4.173 -4.360
425 H TYR 51 H TYR 51 7.094 -2.379 -1.961
426 HA TYR 51 HA TYR 51 4.406 -2.070 -0.824
427 HB2 TYR 51 1HB TYR 51 6.926 -0.390 -1.246
428 HB3 TYR 51 2HB TYR 51 5.395 0.441 -1.055
429 HD1 TYR 51 1HD TYR 51 6.067 1.557 0.995
430 HD2 TYR 51 2HD TYR 51 6.098 -2.713 0.724
431 HE1 TYR 51 1HE TYR 51 6.296 1.391 3.521
432 HE2 TYR 51 2HE TYR 51 6.327 -2.864 3.252
433 HH TYR 51 HH TYR 51 6.567 0.086 5.218
434 H VAL 52 H VAL 52 2.710 -1.562 -2.125
435 HA VAL 52 HA VAL 52 3.345 -0.389 -4.735
436 HB VAL 52 HB VAL 52 1.192 -2.454 -4.357
437 HG11 VAL 52 1HG1 VAL 52 2.765 -1.763 -6.849
438 HG12 VAL 52 2HG1 VAL 52 1.213 -2.625 -6.718
439 HG13 VAL 52 3HG1 VAL 52 1.296 -0.881 -6.369
440 HG21 VAL 52 1HG2 VAL 52 3.112 -3.670 -3.678
441 HG22 VAL 52 2HG2 VAL 52 2.857 -4.084 -5.391
442 HG23 VAL 52 3HG2 VAL 52 4.127 -2.923 -4.937
443 H CYS 53 H CYS 53 2.323 1.524 -4.982
444 HA CYS 53 HA CYS 53 -0.007 1.978 -3.275
445 HB2 CYS 53 1HB CYS 53 1.793 4.034 -4.598
446 HB3 CYS 53 2HB CYS 53 0.462 4.368 -3.510
447 H CYS 54 H CYS 54 -1.714 3.468 -4.349
448 HA CYS 54 HA CYS 54 -1.729 3.414 -7.217
449 HB2 CYS 54 1HB CYS 54 -4.021 2.256 -7.234
450 HB3 CYS 54 2HB CYS 54 -2.600 1.246 -7.062
451 H ASN 55 H ASN 55 -4.020 4.421 -7.919
452 HA ASN 55 HA ASN 55 -5.017 6.142 -5.826
453 HB2 ASN 55 1HB ASN 55 -4.850 8.147 -7.354
454 HB3 ASN 55 2HB ASN 55 -3.280 7.525 -6.887
455 HD21 ASN 55 1HD2 ASN 55 -1.871 6.949 -8.386
456 HD22 ASN 55 2HD2 ASN 55 -2.174 6.812 -10.086
457 H THR 56 H THR 56 -6.120 3.801 -7.172
458 HA THR 56 HA THR 56 -8.377 5.074 -8.542
459 HB THR 56 HB THR 56 -8.248 3.045 -10.157
460 HG1 THR 56 1HG THR 56 -6.539 1.728 -9.672
461 HG21 THR 56 1HG2 THR 56 -7.204 5.523 -10.502
462 HG22 THR 56 2HG2 THR 56 -5.682 4.602 -10.446
463 HG23 THR 56 3HG2 THR 56 -6.911 4.218 -11.676
464 H ASP 57 H ASP 57 -10.369 3.888 -8.422
465 HA ASP 57 HA ASP 57 -10.756 2.790 -5.930
466 HB2 ASP 57 1HB ASP 57 -12.458 2.306 -8.417
467 HB3 ASP 57 2HB ASP 57 -13.002 2.203 -6.754
468 HD2 ASP 57 HD ASP 57 -13.649 5.277 -6.208
469 H ARG 58 H ARG 58 -10.975 0.573 -5.227
470 HA ARG 58 HA ARG 58 -10.426 -1.521 -5.159
471 HB2 ARG 58 1HB ARG 58 -11.212 -1.973 -8.043
472 HB3 ARG 58 2HB ARG 58 -11.601 -2.938 -6.632
473 HG2 ARG 58 1HG ARG 58 -13.116 -1.085 -5.823
474 HG3 ARG 58 2HG ARG 58 -12.769 -0.194 -7.292
475 HD2 ARG 58 1HD ARG 58 -13.600 -2.278 -8.589
476 HD3 ARG 58 2HD ARG 58 -14.192 -2.881 -7.053
477 HE ARG 58 HE ARG 58 -15.247 -0.334 -7.135
478 HH11 ARG 58 1HH ARG 58 -17.957 -0.642 -9.285
479 HH12 ARG 58 2HH1 ARG 58 -17.227 0.240 -8.035
480 HH21 ARG 58 1HH2 ARG 58 -16.822 -2.581 -10.118
481 HH22 ARG 58 2HH2 ARG 58 -15.298 -3.032 -9.432
482 H CYS 59 H CYS 59 -8.268 0.232 -5.941
483 HA CYS 59 HA CYS 59 -6.896 -0.909 -8.151
484 HB2 CYS 59 1HB CYS 59 -5.040 0.559 -7.469
485 HB3 CYS 59 2HB CYS 59 -6.556 1.430 -7.585
486 H ASN 60 H ASN 60 -7.285 -1.562 -4.718
487 HA ASN 60 HA ASN 60 -5.022 -3.392 -4.855
488 HB2 ASN 60 1HB ASN 60 -4.976 -3.293 -2.387
489 HB3 ASN 60 2HB ASN 60 -4.927 -1.663 -3.028
490 HD21 ASN 60 1HD2 ASN 60 -5.627 -1.563 -0.623
491 HD22 ASN 60 2HD2 ASN 60 -7.329 -1.424 -0.334
492 H1 HOH 101 1H HOH 61 3.165 -12.059 -1.467
493 H2 HOH 101 2H HOH 61 2.117 -12.241 -0.390
Start of MODEL 19
1 H1 LEU 1 H LEU 1 -10.795 8.815 -2.640
2 HA LEU 1 HA LEU 1 -11.572 6.753 -4.240
3 HB2 LEU 1 1HB LEU 1 -9.360 7.905 -4.149
4 HB3 LEU 1 2HB LEU 1 -8.962 6.953 -2.733
5 HG LEU 1 HG LEU 1 -9.469 4.901 -4.276
6 HD11 LEU 1 1HD1 LEU 1 -8.530 5.750 -6.663
7 HD12 LEU 1 2HD1 LEU 1 -10.259 5.565 -6.280
8 HD13 LEU 1 3HD1 LEU 1 -9.492 7.168 -6.179
9 HD21 LEU 1 1HD2 LEU 1 -7.205 4.634 -4.606
10 HD22 LEU 1 2HD2 LEU 1 -6.945 6.350 -5.002
11 HD23 LEU 1 3HD2 LEU 1 -7.233 5.859 -3.315
12 H LYS 2 H LYS 2 -11.957 4.551 -4.038
13 HA LYS 2 HA LYS 2 -12.339 3.667 -1.280
14 HB2 LYS 2 1HB LYS 2 -13.479 2.680 -3.908
15 HB3 LYS 2 2HB LYS 2 -13.740 1.883 -2.370
16 HG2 LYS 2 1HG LYS 2 -14.524 4.261 -1.538
17 HG3 LYS 2 2HG LYS 2 -14.667 4.639 -3.242
18 HD2 LYS 2 1HD LYS 2 -16.015 2.340 -3.339
19 HD3 LYS 2 2HD LYS 2 -16.211 2.605 -1.617
20 HE2 LYS 2 1HE LYS 2 -18.124 3.612 -2.703
21 HE3 LYS 2 2HE LYS 2 -17.112 4.927 -2.139
22 HZ1 LYS 2 1HZ LYS 2 -16.867 5.614 -4.250
23 HZ2 LYS 2 2HZ LYS 2 -16.324 4.164 -4.755
24 HZ3 LYS 2 3HZ LYS 2 -17.933 4.455 -4.695
25 H CYS 3 H CYS 3 -11.037 2.158 -0.363
26 HA CYS 3 HA CYS 3 -9.220 0.768 -2.197
27 HB2 CYS 3 1HB CYS 3 -8.545 1.321 0.690
28 HB3 CYS 3 2HB CYS 3 -7.470 0.915 -0.634
29 H ASN 4 H ASN 4 -8.911 -1.498 -1.798
30 HA ASN 4 HA ASN 4 -11.106 -2.676 -0.413
31 HB2 ASN 4 1HB ASN 4 -8.807 -3.697 -2.119
32 HB3 ASN 4 2HB ASN 4 -9.735 -4.840 -1.169
33 HD21 ASN 4 1HD2 ASN 4 -9.726 -2.613 -3.827
34 HD22 ASN 4 2HD2 ASN 4 -11.243 -3.050 -4.537
35 H LYS 5 H LYS 5 -10.506 -4.730 1.037
36 HA LYS 5 HA LYS 5 -8.555 -3.800 2.980
37 HB2 LYS 5 1HB LYS 5 -10.528 -6.089 3.210
38 HB3 LYS 5 2HB LYS 5 -9.621 -5.334 4.506
39 HG2 LYS 5 1HG LYS 5 -11.218 -3.745 4.752
40 HG3 LYS 5 2HG LYS 5 -11.027 -3.251 3.082
41 HD2 LYS 5 1HD LYS 5 -12.533 -5.218 2.425
42 HD3 LYS 5 2HD LYS 5 -12.841 -5.470 4.132
43 HE2 LYS 5 1HE LYS 5 -13.232 -2.668 3.617
44 HE3 LYS 5 2HE LYS 5 -14.063 -3.541 2.344
45 HZ1 LYS 5 1HZ LYS 5 -14.445 -4.576 5.043
46 HZ2 LYS 5 2HZ LYS 5 -15.145 -3.139 4.736
47 HZ3 LYS 5 3HZ LYS 5 -15.485 -4.428 3.788
48 H LEU 6 H LEU 6 -8.281 -6.656 3.989
49 HA LEU 6 HA LEU 6 -5.852 -7.225 2.804
50 HB2 LEU 6 1HB LEU 6 -6.831 -7.974 5.033
51 HB3 LEU 6 2HB LEU 6 -7.646 -9.243 4.140
52 HG LEU 6 HG LEU 6 -4.649 -8.874 4.029
53 HD11 LEU 6 1HD1 LEU 6 -6.289 -10.428 6.037
54 HD12 LEU 6 2HD1 LEU 6 -4.572 -10.761 5.711
55 HD13 LEU 6 3HD1 LEU 6 -5.067 -9.172 6.342
56 HD21 LEU 6 1HD2 LEU 6 -4.854 -10.417 2.438
57 HD22 LEU 6 2HD2 LEU 6 -5.292 -11.558 3.731
58 HD23 LEU 6 3HD2 LEU 6 -6.567 -10.706 2.826
59 H VAL 7 H VAL 7 -9.152 -7.957 1.788
60 HA VAL 7 HA VAL 7 -8.018 -9.536 -0.418
61 HB VAL 7 HB VAL 7 -10.680 -9.764 0.997
62 HG11 VAL 7 1HG1 VAL 7 -10.725 -10.027 -1.558
63 HG12 VAL 7 2HG1 VAL 7 -9.766 -11.504 -1.300
64 HG13 VAL 7 3HG1 VAL 7 -11.389 -11.361 -0.584
65 HG21 VAL 7 1HG2 VAL 7 -9.929 -12.020 1.565
66 HG22 VAL 7 2HG2 VAL 7 -8.397 -11.747 0.701
67 HG23 VAL 7 3HG2 VAL 7 -8.774 -10.806 2.165
68 HA PRO 8 HA PRO 8 -9.599 -6.346 -2.889
69 HB2 PRO 8 1HB PRO 8 -9.271 -7.494 -5.348
70 HB3 PRO 8 2HB PRO 8 -7.975 -6.691 -4.484
71 HG2 PRO 8 1HG PRO 8 -8.432 -9.586 -4.868
72 HG3 PRO 8 2HG PRO 8 -6.961 -8.762 -4.394
73 HD2 PRO 8 1HD PRO 8 -8.738 -10.223 -2.679
74 HD3 PRO 8 2HD PRO 8 -7.330 -9.301 -2.190
75 H ILE 9 H ILE 9 -11.572 -7.647 -1.546
76 HA ILE 9 HA ILE 9 -13.521 -7.985 -3.718
77 HB ILE 9 HB ILE 9 -12.981 -10.097 -2.594
78 HG12 ILE 9 1HG1 ILE 9 -15.396 -10.618 -1.884
79 HG13 ILE 9 2HG1 ILE 9 -15.755 -8.947 -2.270
80 HG21 ILE 9 1HG2 ILE 9 -13.427 -10.508 -0.298
81 HG22 ILE 9 2HG2 ILE 9 -12.430 -9.035 -0.374
82 HG23 ILE 9 3HG2 ILE 9 -14.181 -8.910 -0.085
83 HD11 ILE 9 1HD1 ILE 9 -14.206 -10.479 -4.331
84 HD12 ILE 9 2HD1 ILE 9 -15.913 -10.927 -4.106
85 HD13 ILE 9 3HD1 ILE 9 -15.481 -9.257 -4.545
86 H ALA 10 H ALA 10 -13.158 -7.168 -0.195
87 HA ALA 10 HA ALA 10 -15.426 -5.347 -0.514
88 HB1 ALA 10 1HB ALA 10 -14.734 -5.406 2.171
89 HB2 ALA 10 2HB ALA 10 -15.990 -6.406 1.403
90 HB3 ALA 10 3HB ALA 10 -14.349 -7.056 1.626
91 H TYR 11 H TYR 11 -15.218 -3.129 -0.213
92 HA TYR 11 HA TYR 11 -12.636 -2.123 0.680
93 HB2 TYR 11 1HB TYR 11 -12.793 -0.570 -1.418
94 HB3 TYR 11 2HB TYR 11 -12.355 -2.235 -1.745
95 HD1 TYR 11 1HD TYR 11 -14.870 0.359 -2.209
96 HD2 TYR 11 2HD TYR 11 -14.037 -3.808 -2.709
97 HE1 TYR 11 1HE TYR 11 -16.824 0.155 -3.823
98 HE2 TYR 11 2HE TYR 11 -15.995 -3.998 -4.321
99 HH TYR 11 HH TYR 11 -18.234 -1.370 -4.754
100 H LYS 12 H LYS 12 -12.739 -0.032 1.589
101 HA LYS 12 HA LYS 12 -15.471 1.033 1.785
102 HB2 LYS 12 1HB LYS 12 -14.930 1.767 4.043
103 HB3 LYS 12 2HB LYS 12 -14.745 0.032 3.891
104 HG2 LYS 12 1HG LYS 12 -12.678 0.339 4.803
105 HG3 LYS 12 2HG LYS 12 -12.203 0.908 3.216
106 HD2 LYS 12 1HD LYS 12 -11.527 2.605 4.801
107 HD3 LYS 12 2HD LYS 12 -12.892 3.253 3.914
108 HE2 LYS 12 1HE LYS 12 -14.427 2.733 5.752
109 HE3 LYS 12 2HE LYS 12 -13.180 1.847 6.609
110 HZ1 LYS 12 1HZ LYS 12 -12.958 4.741 5.974
111 HZ2 LYS 12 2HZ LYS 12 -13.496 4.176 7.404
112 HZ3 LYS 12 3HZ LYS 12 -11.974 3.831 6.912
113 H THR 13 H THR 13 -15.337 3.492 2.502
114 HA THR 13 HA THR 13 -13.627 4.744 0.502
115 HB THR 13 HB THR 13 -16.192 5.342 1.952
116 HG1 THR 13 1HG THR 13 -16.411 6.225 -0.354
117 HG21 THR 13 1HG2 THR 13 -15.317 7.453 2.510
118 HG22 THR 13 2HG2 THR 13 -14.099 7.399 1.213
119 HG23 THR 13 3HG2 THR 13 -15.801 7.748 0.823
120 H CYS 14 H CYS 14 -11.849 5.923 0.909
121 HA CYS 14 HA CYS 14 -11.323 6.465 3.741
122 HB2 CYS 14 1HB CYS 14 -9.460 5.554 1.547
123 HB3 CYS 14 2HB CYS 14 -8.852 6.399 2.956
124 HA PRO 15 HA PRO 15 -11.564 10.399 1.502
125 HB2 PRO 15 1HB PRO 15 -13.136 11.729 3.300
126 HB3 PRO 15 2HB PRO 15 -13.780 10.873 1.913
127 HG2 PRO 15 1HG PRO 15 -13.813 10.078 4.761
128 HG3 PRO 15 2HG PRO 15 -14.796 9.476 3.442
129 HD2 PRO 15 1HD PRO 15 -12.545 8.166 4.643
130 HD3 PRO 15 2HD PRO 15 -13.456 7.617 3.250
131 H GLU 16 H GLU 16 -11.288 10.104 5.009
132 HA GLU 16 HA GLU 16 -10.046 12.336 5.632
133 HB2 GLU 16 1HB GLU 16 -9.439 9.495 6.509
134 HB3 GLU 16 2HB GLU 16 -8.591 10.852 7.223
135 HG2 GLU 16 1HG GLU 16 -11.636 10.658 7.104
136 HG3 GLU 16 2HG GLU 16 -10.691 10.103 8.472
137 HE2 GLU 16 HE GLU 16 -10.639 14.027 7.598
138 H GLY 17 H GLY 17 -8.816 13.307 3.954
139 HA2 GLY 17 1HA GLY 17 -7.132 13.375 2.362
140 HA3 GLY 17 2HA GLY 17 -6.238 13.426 3.868
141 H LYS 18 H LYS 18 -7.982 10.732 2.156
142 HA LYS 18 HA LYS 18 -5.412 9.393 1.830
143 HB2 LYS 18 1HB LYS 18 -7.744 8.379 3.442
144 HB3 LYS 18 2HB LYS 18 -6.682 7.254 2.618
145 HG2 LYS 18 1HG LYS 18 -4.848 7.772 3.959
146 HG3 LYS 18 2HG LYS 18 -5.358 9.429 4.214
147 HD2 LYS 18 1HD LYS 18 -7.356 8.351 5.566
148 HD3 LYS 18 2HD LYS 18 -6.346 6.920 5.606
149 HE2 LYS 18 1HE LYS 18 -5.168 7.805 7.328
150 HE3 LYS 18 2HE LYS 18 -4.641 9.115 6.291
151 HZ1 LYS 18 1HZ LYS 18 -7.336 9.285 7.444
152 HZ2 LYS 18 2HZ LYS 18 -6.072 9.603 8.419
153 HZ3 LYS 18 3HZ LYS 18 -6.269 10.459 7.039
154 H ASN 19 H ASN 19 -5.951 10.332 -0.369
155 HA ASN 19 HA ASN 19 -8.119 8.957 -1.668
156 HB2 ASN 19 1HB ASN 19 -7.371 11.473 -1.999
157 HB3 ASN 19 2HB ASN 19 -6.115 10.809 -3.025
158 HD21 ASN 19 1HD2 ASN 19 -6.697 11.277 -5.016
159 HD22 ASN 19 2HD2 ASN 19 -8.212 10.905 -5.769
160 H LEU 20 H LEU 20 -4.992 8.229 -0.793
161 HA LEU 20 HA LEU 20 -4.462 6.765 -3.284
162 HB2 LEU 20 1HB LEU 20 -2.609 8.021 -1.272
163 HB3 LEU 20 2HB LEU 20 -2.069 6.764 -2.367
164 HG LEU 20 HG LEU 20 -1.762 9.314 -2.942
165 HD11 LEU 20 1HD1 LEU 20 -2.439 7.030 -4.767
166 HD12 LEU 20 2HD1 LEU 20 -2.106 8.644 -5.438
167 HD13 LEU 20 3HD1 LEU 20 -0.873 7.816 -4.457
168 HD21 LEU 20 1HD2 LEU 20 -3.502 10.321 -4.212
169 HD22 LEU 20 2HD2 LEU 20 -4.485 8.838 -4.171
170 HD23 LEU 20 3HD2 LEU 20 -4.221 9.773 -2.679
171 H CYS 21 H CYS 21 -4.113 4.549 -3.175
172 HA CYS 21 HA CYS 21 -4.523 3.411 -0.506
173 HB2 CYS 21 1HB CYS 21 -5.200 2.016 -3.103
174 HB3 CYS 21 2HB CYS 21 -5.692 1.583 -1.478
175 H TYR 22 H TYR 22 -3.300 1.382 -0.078
176 HA TYR 22 HA TYR 22 -1.099 0.869 -1.921
177 HB2 TYR 22 1HB TYR 22 0.520 1.250 -0.136
178 HB3 TYR 22 2HB TYR 22 -0.562 2.627 -0.053
179 HD1 TYR 22 1HD TYR 22 0.050 -0.737 1.454
180 HD2 TYR 22 2HD TYR 22 -1.690 3.140 1.949
181 HE1 TYR 22 1HE TYR 22 -0.434 -1.257 3.895
182 HE2 TYR 22 2HE TYR 22 -2.168 2.606 4.388
183 HH TYR 22 HH TYR 22 -2.423 0.820 5.820
184 H LYS 23 H LYS 23 0.038 -1.189 -1.420
185 HA LYS 23 HA LYS 23 -1.362 -2.924 0.436
186 HB2 LYS 23 1HB LYS 23 -1.443 -4.681 -1.475
187 HB3 LYS 23 2HB LYS 23 -2.714 -3.482 -1.350
188 HG2 LYS 23 1HG LYS 23 -1.319 -2.038 -2.987
189 HG3 LYS 23 2HG LYS 23 -0.335 -3.463 -3.255
190 HD2 LYS 23 1HD LYS 23 -2.010 -4.588 -4.402
191 HD3 LYS 23 2HD LYS 23 -3.298 -3.864 -3.459
192 HE2 LYS 23 1HE LYS 23 -3.401 -1.947 -4.796
193 HE3 LYS 23 2HE LYS 23 -1.707 -2.029 -5.241
194 HZ1 LYS 23 1HZ LYS 23 -2.164 -3.737 -6.797
195 HZ2 LYS 23 2HZ LYS 23 -3.640 -4.062 -6.192
196 HZ3 LYS 23 3HZ LYS 23 -3.372 -2.647 -6.969
197 H MET 24 H MET 24 0.140 -3.989 1.606
198 HA MET 24 HA MET 24 2.829 -3.989 0.550
199 HB2 MET 24 1HB MET 24 1.514 -4.362 3.262
200 HB3 MET 24 2HB MET 24 3.127 -5.010 3.034
201 HG2 MET 24 1HG MET 24 4.043 -2.943 3.246
202 HG3 MET 24 2HG MET 24 3.056 -2.326 1.936
203 HE1 MET 24 1HE MET 24 3.732 -0.316 4.388
204 HE2 MET 24 2HE MET 24 2.907 -0.735 5.910
205 HE3 MET 24 3HE MET 24 4.109 -1.848 5.214
206 H PHE 25 H PHE 25 3.712 -5.770 -0.406
207 HA PHE 25 HA PHE 25 2.347 -8.320 0.070
208 HB2 PHE 25 1HB PHE 25 4.128 -7.192 -2.170
209 HB3 PHE 25 2HB PHE 25 3.589 -8.860 -2.146
210 HD1 PHE 25 1HD PHE 25 2.755 -5.498 -3.046
211 HD2 PHE 25 2HD PHE 25 1.088 -9.313 -2.226
212 HE1 PHE 25 1HE PHE 25 0.646 -4.834 -4.235
213 HE2 PHE 25 2HE PHE 25 -1.021 -8.649 -3.415
214 HZ PHE 25 HZ PHE 25 -1.216 -6.417 -4.406
215 H MET 26 H MET 26 3.535 -10.178 0.636
216 HA MET 26 HA MET 26 6.058 -9.574 1.850
217 HB2 MET 26 1HB MET 26 3.918 -11.317 2.382
218 HB3 MET 26 2HB MET 26 5.143 -12.409 1.766
219 HG2 MET 26 1HG MET 26 6.789 -11.359 3.426
220 HG3 MET 26 2HG MET 26 5.438 -10.479 4.117
221 HE1 MET 26 1HE MET 26 3.837 -11.984 6.255
222 HE2 MET 26 2HE MET 26 5.358 -12.621 6.923
223 HE3 MET 26 3HE MET 26 5.336 -11.033 6.123
224 H MET 27 H MET 27 8.087 -10.203 1.135
225 HA MET 27 HA MET 27 9.642 -10.966 -0.177
226 HB2 MET 27 1HB MET 27 7.496 -13.042 -0.873
227 HB3 MET 27 2HB MET 27 9.143 -13.162 -1.459
228 HG2 MET 27 1HG MET 27 9.629 -12.780 1.215
229 HG3 MET 27 2HG MET 27 8.076 -13.587 1.308
230 HE1 MET 27 1HE MET 27 11.948 -14.209 -0.076
231 HE2 MET 27 2HE MET 27 11.415 -13.840 1.582
232 HE3 MET 27 3HE MET 27 11.927 -15.491 1.157
233 H SER 28 H SER 28 6.776 -11.801 -2.254
234 HA SER 28 HA SER 28 7.815 -9.844 -4.152
235 HB2 SER 28 1HB SER 28 8.037 -12.411 -4.691
236 HB3 SER 28 2HB SER 28 6.314 -12.334 -5.011
237 HG SER 28 HG SER 28 7.648 -11.976 -6.929
238 H ASP 29 H ASP 29 6.073 -8.991 -5.682
239 HA ASP 29 HA ASP 29 3.736 -8.475 -4.109
240 HB2 ASP 29 1HB ASP 29 3.262 -7.112 -6.394
241 HB3 ASP 29 2HB ASP 29 4.304 -6.489 -5.131
242 HD2 ASP 29 HD ASP 29 4.701 -6.141 -8.291
243 H LEU 30 H LEU 30 4.775 -10.115 -7.134
244 HA LEU 30 HA LEU 30 2.472 -10.514 -8.466
245 HB2 LEU 30 1HB LEU 30 4.755 -12.420 -7.961
246 HB3 LEU 30 2HB LEU 30 3.466 -12.753 -9.100
247 HG LEU 30 HG LEU 30 5.059 -10.208 -9.323
248 HD11 LEU 30 1HD1 LEU 30 6.754 -11.917 -9.187
249 HD12 LEU 30 2HD1 LEU 30 5.889 -12.927 -10.370
250 HD13 LEU 30 3HD1 LEU 30 6.600 -11.375 -10.875
251 HD21 LEU 30 1HD2 LEU 30 4.020 -9.936 -11.282
252 HD22 LEU 30 2HD2 LEU 30 4.234 -11.642 -11.743
253 HD23 LEU 30 3HD2 LEU 30 2.878 -11.167 -10.693
254 H THR 31 H THR 31 3.606 -12.334 -5.556
255 HA THR 31 HA THR 31 1.338 -14.040 -5.508
256 HB THR 31 HB THR 31 2.290 -14.634 -3.267
257 HG1 THR 31 1HG THR 31 2.891 -12.413 -2.716
258 HG21 THR 31 1HG2 THR 31 4.815 -14.116 -4.782
259 HG22 THR 31 2HG2 THR 31 4.195 -15.642 -4.108
260 HG23 THR 31 3HG2 THR 31 3.585 -15.045 -5.671
261 H ILE 32 H ILE 32 0.001 -14.109 -3.322
262 HA ILE 32 HA ILE 32 -1.653 -11.842 -3.440
263 HB ILE 32 HB ILE 32 -1.622 -14.448 -2.212
264 HG12 ILE 32 1HG1 ILE 32 -4.214 -13.623 -2.207
265 HG13 ILE 32 2HG1 ILE 32 -3.538 -12.516 -3.385
266 HG21 ILE 32 1HG2 ILE 32 -1.410 -13.530 -0.070
267 HG22 ILE 32 2HG2 ILE 32 -2.430 -12.127 -0.467
268 HG23 ILE 32 3HG2 ILE 32 -3.164 -13.739 -0.289
269 HD11 ILE 32 1HD1 ILE 32 -4.006 -14.296 -4.791
270 HD12 ILE 32 2HD1 ILE 32 -2.365 -14.769 -4.289
271 HD13 ILE 32 3HD1 ILE 32 -3.782 -15.506 -3.505
272 HA PRO 33 HA PRO 33 0.219 -9.242 -0.548
273 HB2 PRO 33 1HB PRO 33 -1.898 -7.717 0.265
274 HB3 PRO 33 2HB PRO 33 -1.043 -7.443 -1.239
275 HG2 PRO 33 1HG PRO 33 -3.702 -8.663 -0.816
276 HG3 PRO 33 2HG PRO 33 -3.020 -7.999 -2.287
277 HD2 PRO 33 1HD PRO 33 -3.289 -10.776 -1.620
278 HD3 PRO 33 2HD PRO 33 -2.504 -10.110 -3.038
279 H VAL 34 H VAL 34 0.297 -8.439 1.738
280 HA VAL 34 HA VAL 34 -0.830 -10.588 3.397
281 HB VAL 34 HB VAL 34 1.089 -9.957 4.937
282 HG11 VAL 34 1HG1 VAL 34 0.957 -11.989 3.432
283 HG12 VAL 34 2HG1 VAL 34 1.948 -11.087 2.259
284 HG13 VAL 34 3HG1 VAL 34 2.600 -11.463 3.872
285 HG21 VAL 34 1HG2 VAL 34 2.105 -8.603 2.415
286 HG22 VAL 34 2HG2 VAL 34 1.652 -7.794 3.935
287 HG23 VAL 34 3HG2 VAL 34 3.050 -8.895 3.895
288 H LYS 35 H LYS 35 0.003 -7.074 3.201
289 HA LYS 35 HA LYS 35 -2.314 -6.557 4.884
290 HB2 LYS 35 1HB LYS 35 0.513 -5.710 5.547
291 HB3 LYS 35 2HB LYS 35 -0.891 -4.874 6.179
292 HG2 LYS 35 1HG LYS 35 -1.597 -7.472 6.728
293 HG3 LYS 35 2HG LYS 35 0.147 -7.602 6.829
294 HD2 LYS 35 1HD LYS 35 -0.576 -5.184 8.194
295 HD3 LYS 35 2HD LYS 35 -1.695 -6.419 8.735
296 HE2 LYS 35 1HE LYS 35 1.107 -7.378 8.575
297 HE3 LYS 35 2HE LYS 35 0.897 -6.050 9.699
298 HZ1 LYS 35 1HZ LYS 35 0.094 -8.734 10.033
299 HZ2 LYS 35 2HZ LYS 35 0.015 -7.526 11.121
300 HZ3 LYS 35 3HZ LYS 35 -1.218 -7.757 10.071
301 H ARG 36 H ARG 36 -2.992 -4.238 4.752
302 HA ARG 36 HA ARG 36 -1.763 -2.616 2.822
303 HB2 ARG 36 1HB ARG 36 -3.756 -2.565 1.230
304 HB3 ARG 36 2HB ARG 36 -2.825 -4.049 1.176
305 HG2 ARG 36 1HG ARG 36 -5.106 -4.760 1.254
306 HG3 ARG 36 2HG ARG 36 -4.498 -5.023 2.877
307 HD2 ARG 36 1HD ARG 36 -5.576 -2.296 2.533
308 HD3 ARG 36 2HD ARG 36 -6.775 -3.524 2.183
309 HE ARG 36 HE ARG 36 -5.426 -4.275 4.586
310 HH11 ARG 36 1HH ARG 36 -7.603 -2.802 6.857
311 HH12 ARG 36 2HH1 ARG 36 -6.366 -3.933 6.601
312 HH21 ARG 36 1HH2 ARG 36 -8.372 -1.520 4.985
313 HH22 ARG 36 2HH2 ARG 36 -7.655 -1.775 3.429
314 H GLY 37 H GLY 37 -3.569 -0.722 2.238
315 HA2 GLY 37 1HA GLY 37 -5.687 -0.205 3.936
316 HA3 GLY 37 2HA GLY 37 -4.263 0.401 4.757
317 H CYS 38 H CYS 38 -5.678 2.468 4.346
318 HA CYS 38 HA CYS 38 -5.301 3.465 1.645
319 HB2 CYS 38 1HB CYS 38 -6.702 4.938 3.879
320 HB3 CYS 38 2HB CYS 38 -6.893 5.135 2.148
321 H ILE 39 H ILE 39 -4.430 5.783 1.460
322 HA ILE 39 HA ILE 39 -2.934 6.841 3.617
323 HB ILE 39 HB ILE 39 -1.565 4.839 2.916
324 HG12 ILE 39 1HG1 ILE 39 0.081 7.300 2.503
325 HG13 ILE 39 2HG1 ILE 39 -0.830 7.169 3.994
326 HG21 ILE 39 1HG2 ILE 39 -1.565 4.643 0.641
327 HG22 ILE 39 2HG2 ILE 39 -1.533 6.402 0.370
328 HG23 ILE 39 3HG2 ILE 39 -0.049 5.550 0.862
329 HD11 ILE 39 1HD1 ILE 39 1.341 6.187 4.400
330 HD12 ILE 39 2HD1 ILE 39 0.177 4.844 4.310
331 HD13 ILE 39 3HD1 ILE 39 1.234 5.198 2.923
332 H ASP 40 H ASP 40 -1.325 8.629 2.539
333 HA ASP 40 HA ASP 40 -3.020 9.900 0.541
334 HB2 ASP 40 1HB ASP 40 -1.767 12.020 1.373
335 HB3 ASP 40 2HB ASP 40 -2.980 11.324 2.429
336 HD2 ASP 40 HD ASP 40 -1.213 11.458 4.940
337 H VAL 41 H VAL 41 0.372 9.318 1.681
338 HA VAL 41 HA VAL 41 1.270 9.789 -1.079
339 HB VAL 41 HB VAL 41 2.612 10.473 1.541
340 HG11 VAL 41 1HG1 VAL 41 4.132 9.458 -0.254
341 HG12 VAL 41 2HG1 VAL 41 3.797 10.923 -1.205
342 HG13 VAL 41 3HG1 VAL 41 4.586 11.056 0.385
343 HG21 VAL 41 1HG2 VAL 41 2.519 12.762 0.773
344 HG22 VAL 41 2HG2 VAL 41 1.846 12.254 -0.796
345 HG23 VAL 41 3HG2 VAL 41 0.884 12.064 0.690
346 H CYS 42 H CYS 42 2.618 8.232 -1.982
347 HA CYS 42 HA CYS 42 2.469 5.675 -0.868
348 HB2 CYS 42 1HB CYS 42 2.707 6.290 -3.325
349 HB3 CYS 42 2HB CYS 42 4.408 6.570 -3.018
350 HA PRO 43 HA PRO 43 5.893 6.181 1.847
351 HB2 PRO 43 1HB PRO 43 5.732 3.748 3.084
352 HB3 PRO 43 2HB PRO 43 4.793 5.142 3.582
353 HG2 PRO 43 1HG PRO 43 3.910 2.748 2.088
354 HG3 PRO 43 2HG PRO 43 2.938 3.922 2.954
355 HD2 PRO 43 1HD PRO 43 3.280 3.737 0.112
356 HD3 PRO 43 2HD PRO 43 2.403 4.979 0.983
357 H LYS 44 H LYS 44 7.968 5.012 2.487
358 HA LYS 44 HA LYS 44 9.166 4.268 0.010
359 HB2 LYS 44 1HB LYS 44 10.307 4.211 2.821
360 HB3 LYS 44 2HB LYS 44 11.217 4.114 1.327
361 HG2 LYS 44 1HG LYS 44 11.348 6.380 1.376
362 HG3 LYS 44 2HG LYS 44 9.645 6.410 0.963
363 HD2 LYS 44 1HD LYS 44 9.916 7.757 2.956
364 HD3 LYS 44 2HD LYS 44 9.097 6.284 3.439
365 HE2 LYS 44 1HE LYS 44 10.765 6.474 5.090
366 HE3 LYS 44 2HE LYS 44 11.509 5.367 3.954
367 HZ1 LYS 44 1HZ LYS 44 12.538 7.433 2.917
368 HZ2 LYS 44 2HZ LYS 44 12.053 8.266 4.229
369 HZ3 LYS 44 3HZ LYS 44 13.070 6.995 4.400
370 H ASN 45 H ASN 45 9.435 2.268 -0.852
371 HA ASN 45 HA ASN 45 8.170 0.114 0.448
372 HB2 ASN 45 1HB ASN 45 8.233 0.378 -2.044
373 HB3 ASN 45 2HB ASN 45 9.975 0.183 -2.028
374 HD21 ASN 45 1HD2 ASN 45 9.706 -1.583 -3.443
375 HD22 ASN 45 2HD2 ASN 45 9.247 -3.153 -2.874
376 H SER 46 H SER 46 9.437 -2.104 0.627
377 HA SER 46 HA SER 46 12.145 -1.543 1.554
378 HB2 SER 46 1HB SER 46 11.831 -3.095 3.402
379 HB3 SER 46 2HB SER 46 10.550 -1.901 3.453
380 HG SER 46 HG SER 46 9.542 -3.885 3.738
381 H LEU 47 H LEU 47 13.150 -4.036 1.998
382 HA LEU 47 HA LEU 47 12.920 -5.257 -0.645
383 HB2 LEU 47 1HB LEU 47 15.027 -6.088 1.264
384 HB3 LEU 47 2HB LEU 47 15.092 -5.872 -0.474
385 HG LEU 47 HG LEU 47 14.876 -3.496 1.368
386 HD11 LEU 47 1HD1 LEU 47 17.570 -4.318 0.408
387 HD12 LEU 47 2HD1 LEU 47 17.086 -3.450 1.885
388 HD13 LEU 47 3HD1 LEU 47 16.878 -5.215 1.782
389 HD21 LEU 47 1HD2 LEU 47 15.289 -3.954 -1.501
390 HD22 LEU 47 2HD2 LEU 47 14.692 -2.519 -0.635
391 HD23 LEU 47 3HD2 LEU 47 16.443 -2.808 -0.777
392 H LEU 48 H LEU 48 11.809 -5.587 2.574
393 HA LEU 48 HA LEU 48 11.689 -8.485 2.428
394 HB2 LEU 48 1HB LEU 48 12.184 -6.871 4.490
395 HB3 LEU 48 2HB LEU 48 10.437 -6.919 4.628
396 HG LEU 48 HG LEU 48 11.410 -8.579 6.076
397 HD11 LEU 48 1HD1 LEU 48 10.329 -10.657 5.170
398 HD12 LEU 48 2HD1 LEU 48 9.292 -9.210 5.186
399 HD13 LEU 48 3HD1 LEU 48 10.023 -9.763 3.661
400 HD21 LEU 48 1HD2 LEU 48 13.239 -8.969 3.902
401 HD22 LEU 48 2HD2 LEU 48 13.323 -9.579 5.572
402 HD23 LEU 48 3HD2 LEU 48 12.481 -10.524 4.320
403 H VAL 49 H VAL 49 9.544 -5.583 2.433
404 HA VAL 49 HA VAL 49 7.455 -7.330 1.332
405 HB VAL 49 HB VAL 49 6.831 -4.926 3.011
406 HG11 VAL 49 1HG1 VAL 49 5.055 -6.003 1.662
407 HG12 VAL 49 2HG1 VAL 49 5.345 -7.531 2.530
408 HG13 VAL 49 3HG1 VAL 49 4.740 -6.107 3.411
409 HG21 VAL 49 1HG2 VAL 49 7.861 -5.875 4.773
410 HG22 VAL 49 2HG2 VAL 49 6.500 -7.022 4.761
411 HG23 VAL 49 3HG2 VAL 49 8.029 -7.445 3.953
412 H LYS 50 H LYS 50 6.473 -6.597 -0.530
413 HA LYS 50 HA LYS 50 7.690 -4.263 -1.724
414 HB2 LYS 50 1HB LYS 50 7.319 -6.526 -2.869
415 HB3 LYS 50 2HB LYS 50 5.623 -6.094 -2.954
416 HG2 LYS 50 1HG LYS 50 6.140 -5.015 -4.891
417 HG3 LYS 50 2HG LYS 50 6.859 -3.775 -3.883
418 HD2 LYS 50 1HD LYS 50 9.065 -4.792 -4.056
419 HD3 LYS 50 2HD LYS 50 8.409 -6.235 -4.804
420 HE2 LYS 50 1HE LYS 50 7.497 -4.140 -6.462
421 HE3 LYS 50 2HE LYS 50 9.130 -3.664 -6.041
422 HZ1 LYS 50 1HZ LYS 50 9.945 -5.773 -6.851
423 HZ2 LYS 50 2HZ LYS 50 8.444 -6.359 -7.086
424 HZ3 LYS 50 3HZ LYS 50 8.978 -5.100 -7.986
425 H TYR 51 H TYR 51 6.670 -2.321 -2.179
426 HA TYR 51 HA TYR 51 4.002 -2.047 -0.973
427 HB2 TYR 51 1HB TYR 51 6.499 -0.330 -1.368
428 HB3 TYR 51 2HB TYR 51 4.955 0.482 -1.189
429 HD1 TYR 51 1HD TYR 51 5.185 1.548 0.900
430 HD2 TYR 51 2HD TYR 51 6.090 -2.619 0.556
431 HE1 TYR 51 1HE TYR 51 5.393 1.377 3.428
432 HE2 TYR 51 2HE TYR 51 6.294 -2.777 3.086
433 HH TYR 51 HH TYR 51 5.555 0.013 5.130
434 H VAL 52 H VAL 52 2.311 -1.634 -2.306
435 HA VAL 52 HA VAL 52 2.945 -0.439 -4.911
436 HB VAL 52 HB VAL 52 0.740 -2.440 -4.542
437 HG11 VAL 52 1HG1 VAL 52 0.444 -1.662 -6.647
438 HG12 VAL 52 2HG1 VAL 52 2.117 -1.071 -6.779
439 HG13 VAL 52 3HG1 VAL 52 1.760 -2.795 -7.040
440 HG21 VAL 52 1HG2 VAL 52 2.642 -3.648 -3.713
441 HG22 VAL 52 2HG2 VAL 52 2.329 -4.200 -5.376
442 HG23 VAL 52 3HG2 VAL 52 3.664 -3.069 -5.050
443 H CYS 53 H CYS 53 2.139 1.595 -4.857
444 HA CYS 53 HA CYS 53 -0.275 2.030 -3.288
445 HB2 CYS 53 1HB CYS 53 1.651 4.047 -4.490
446 HB3 CYS 53 2HB CYS 53 0.269 4.427 -3.481
447 H CYS 54 H CYS 54 -1.916 3.602 -4.346
448 HA CYS 54 HA CYS 54 -1.872 3.712 -7.198
449 HB2 CYS 54 1HB CYS 54 -4.206 2.525 -7.268
450 HB3 CYS 54 2HB CYS 54 -2.734 1.577 -7.343
451 H ASN 55 H ASN 55 -4.047 4.818 -7.932
452 HA ASN 55 HA ASN 55 -5.089 6.400 -5.725
453 HB2 ASN 55 1HB ASN 55 -4.980 8.438 -7.098
454 HB3 ASN 55 2HB ASN 55 -3.380 7.729 -7.028
455 HD21 ASN 55 1HD2 ASN 55 -3.605 9.375 -8.972
456 HD22 ASN 55 2HD2 ASN 55 -3.833 8.639 -10.523
457 H THR 56 H THR 56 -5.922 3.999 -7.534
458 HA THR 56 HA THR 56 -8.388 5.214 -8.599
459 HB THR 56 HB THR 56 -8.250 3.177 -10.206
460 HG1 THR 56 1HG THR 56 -5.872 2.519 -10.299
461 HG21 THR 56 1HG2 THR 56 -6.962 4.360 -11.772
462 HG22 THR 56 2HG2 THR 56 -7.327 5.673 -10.627
463 HG23 THR 56 3HG2 THR 56 -5.754 4.844 -10.557
464 H ASP 57 H ASP 57 -10.351 4.223 -8.166
465 HA ASP 57 HA ASP 57 -10.505 2.938 -5.742
466 HB2 ASP 57 1HB ASP 57 -12.578 2.611 -7.940
467 HB3 ASP 57 2HB ASP 57 -12.851 2.697 -6.210
468 HD2 ASP 57 HD ASP 57 -12.646 6.209 -6.171
469 H ARG 58 H ARG 58 -10.665 0.699 -5.173
470 HA ARG 58 HA ARG 58 -10.454 -1.444 -5.339
471 HB2 ARG 58 1HB ARG 58 -11.297 -1.338 -8.269
472 HB3 ARG 58 2HB ARG 58 -11.530 -2.659 -7.141
473 HG2 ARG 58 1HG ARG 58 -12.957 -0.967 -5.746
474 HG3 ARG 58 2HG ARG 58 -12.953 0.029 -7.188
475 HD2 ARG 58 1HD ARG 58 -14.968 -1.374 -7.189
476 HD3 ARG 58 2HD ARG 58 -13.923 -1.878 -8.501
477 HE ARG 58 HE ARG 58 -13.139 -3.489 -6.370
478 HH11 ARG 58 1HH ARG 58 -15.524 -6.013 -6.455
479 HH12 ARG 58 2HH1 ARG 58 -13.980 -5.532 -5.945
480 HH21 ARG 58 1HH2 ARG 58 -16.855 -4.441 -7.679
481 HH22 ARG 58 2HH2 ARG 58 -16.216 -2.866 -8.011
482 H CYS 59 H CYS 59 -8.221 0.377 -6.098
483 HA CYS 59 HA CYS 59 -6.867 -0.818 -8.292
484 HB2 CYS 59 1HB CYS 59 -4.963 0.611 -7.566
485 HB3 CYS 59 2HB CYS 59 -6.450 1.502 -7.816
486 H ASN 60 H ASN 60 -7.088 -1.241 -4.763
487 HA ASN 60 HA ASN 60 -4.937 -3.191 -4.919
488 HB2 ASN 60 1HB ASN 60 -4.796 -2.993 -2.470
489 HB3 ASN 60 2HB ASN 60 -4.770 -1.382 -3.161
490 HD21 ASN 60 1HD2 ASN 60 -5.437 -1.820 -0.543
491 HD22 ASN 60 2HD2 ASN 60 -7.106 -1.456 -0.262
492 H1 HOH 101 1H HOH 61 3.094 -12.424 -0.939
493 H2 HOH 101 2H HOH 61 2.076 -12.390 0.180
Start of MODEL 20
1 H1 LEU 1 H LEU 1 -10.886 9.057 -2.905
2 HA LEU 1 HA LEU 1 -11.485 7.014 -4.495
3 HB2 LEU 1 1HB LEU 1 -9.191 8.003 -3.202
4 HB3 LEU 1 2HB LEU 1 -9.189 6.275 -2.913
5 HG LEU 1 HG LEU 1 -7.910 6.962 -4.924
6 HD11 LEU 1 1HD1 LEU 1 -9.260 4.720 -4.567
7 HD12 LEU 1 2HD1 LEU 1 -10.184 5.324 -5.964
8 HD13 LEU 1 3HD1 LEU 1 -8.427 5.071 -6.101
9 HD21 LEU 1 1HD2 LEU 1 -10.289 7.366 -6.602
10 HD22 LEU 1 2HD2 LEU 1 -9.988 8.672 -5.430
11 HD23 LEU 1 3HD2 LEU 1 -8.723 8.212 -6.595
12 H LYS 2 H LYS 2 -11.175 4.571 -4.175
13 HA LYS 2 HA LYS 2 -12.355 3.777 -1.608
14 HB2 LYS 2 1HB LYS 2 -13.176 2.896 -4.388
15 HB3 LYS 2 2HB LYS 2 -13.653 2.058 -2.924
16 HG2 LYS 2 1HG LYS 2 -14.717 4.138 -2.058
17 HG3 LYS 2 2HG LYS 2 -14.203 5.011 -3.488
18 HD2 LYS 2 1HD LYS 2 -15.675 2.522 -4.125
19 HD3 LYS 2 2HD LYS 2 -16.629 3.656 -3.190
20 HE2 LYS 2 1HE LYS 2 -15.266 5.209 -5.171
21 HE3 LYS 2 2HE LYS 2 -15.877 3.790 -5.999
22 HZ1 LYS 2 1HZ LYS 2 -17.391 5.898 -4.650
23 HZ2 LYS 2 2HZ LYS 2 -17.736 5.118 -6.036
24 HZ3 LYS 2 3HZ LYS 2 -17.974 4.370 -4.599
25 H CYS 3 H CYS 3 -11.063 2.394 -0.529
26 HA CYS 3 HA CYS 3 -9.199 0.827 -2.160
27 HB2 CYS 3 1HB CYS 3 -8.704 1.529 0.733
28 HB3 CYS 3 2HB CYS 3 -7.558 0.991 -0.479
29 H ASN 4 H ASN 4 -8.963 -1.421 -1.584
30 HA ASN 4 HA ASN 4 -11.263 -2.404 -0.153
31 HB2 ASN 4 1HB ASN 4 -9.125 -4.118 -1.485
32 HB3 ASN 4 2HB ASN 4 -10.810 -4.517 -1.214
33 HD21 ASN 4 1HD2 ASN 4 -9.739 -4.869 -3.660
34 HD22 ASN 4 2HD2 ASN 4 -10.356 -3.723 -4.804
35 H LYS 5 H LYS 5 -10.696 -4.555 1.217
36 HA LYS 5 HA LYS 5 -8.568 -3.769 3.039
37 HB2 LYS 5 1HB LYS 5 -10.620 -5.957 3.426
38 HB3 LYS 5 2HB LYS 5 -9.641 -5.166 4.646
39 HG2 LYS 5 1HG LYS 5 -11.313 -3.664 4.937
40 HG3 LYS 5 2HG LYS 5 -10.984 -3.047 3.329
41 HD2 LYS 5 1HD LYS 5 -13.101 -3.700 2.809
42 HD3 LYS 5 2HD LYS 5 -12.465 -5.333 2.766
43 HE2 LYS 5 1HE LYS 5 -13.388 -4.104 5.390
44 HE3 LYS 5 2HE LYS 5 -14.544 -4.830 4.290
45 HZ1 LYS 5 1HZ LYS 5 -13.952 -6.782 5.207
46 HZ2 LYS 5 2HZ LYS 5 -12.495 -6.666 4.488
47 HZ3 LYS 5 3HZ LYS 5 -12.705 -6.080 6.001
48 H LEU 6 H LEU 6 -8.306 -6.564 4.063
49 HA LEU 6 HA LEU 6 -6.066 -7.306 2.636
50 HB2 LEU 6 1HB LEU 6 -6.263 -8.059 4.827
51 HB3 LEU 6 2HB LEU 6 -7.875 -8.700 4.578
52 HG LEU 6 HG LEU 6 -6.737 -10.393 2.976
53 HD11 LEU 6 1HD1 LEU 6 -4.313 -10.736 4.207
54 HD12 LEU 6 2HD1 LEU 6 -4.568 -9.981 2.615
55 HD13 LEU 6 3HD1 LEU 6 -4.416 -8.964 4.068
56 HD21 LEU 6 1HD2 LEU 6 -7.738 -11.189 4.953
57 HD22 LEU 6 2HD2 LEU 6 -6.078 -11.833 4.969
58 HD23 LEU 6 3HD2 LEU 6 -6.499 -10.435 5.986
59 H VAL 7 H VAL 7 -9.509 -8.039 2.116
60 HA VAL 7 HA VAL 7 -8.710 -9.725 -0.153
61 HB VAL 7 HB VAL 7 -11.191 -9.669 1.566
62 HG11 VAL 7 1HG1 VAL 7 -10.753 -11.431 -0.861
63 HG12 VAL 7 2HG1 VAL 7 -12.219 -11.281 0.137
64 HG13 VAL 7 3HG1 VAL 7 -11.704 -9.926 -0.898
65 HG21 VAL 7 1HG2 VAL 7 -10.584 -11.862 2.239
66 HG22 VAL 7 2HG2 VAL 7 -9.350 -11.996 0.963
67 HG23 VAL 7 3HG2 VAL 7 -9.094 -10.892 2.337
68 HA PRO 8 HA PRO 8 -10.226 -6.462 -2.590
69 HB2 PRO 8 1HB PRO 8 -9.948 -7.636 -5.041
70 HB3 PRO 8 2HB PRO 8 -8.630 -6.837 -4.206
71 HG2 PRO 8 1HG PRO 8 -9.120 -9.733 -4.554
72 HG3 PRO 8 2HG PRO 8 -7.634 -8.916 -4.112
73 HD2 PRO 8 1HD PRO 8 -9.395 -10.344 -2.355
74 HD3 PRO 8 2HD PRO 8 -7.972 -9.430 -1.897
75 H ILE 9 H ILE 9 -12.186 -7.743 -1.201
76 HA ILE 9 HA ILE 9 -14.181 -8.041 -3.336
77 HB ILE 9 HB ILE 9 -13.477 -10.152 -2.084
78 HG12 ILE 9 1HG1 ILE 9 -15.647 -9.626 -3.433
79 HG13 ILE 9 2HG1 ILE 9 -15.547 -11.081 -2.462
80 HG21 ILE 9 1HG2 ILE 9 -15.021 -8.753 0.113
81 HG22 ILE 9 2HG2 ILE 9 -14.681 -10.500 0.079
82 HG23 ILE 9 3HG2 ILE 9 -13.338 -9.334 0.160
83 HD11 ILE 9 1HD1 ILE 9 -17.696 -9.936 -2.070
84 HD12 ILE 9 2HD1 ILE 9 -16.714 -9.914 -0.585
85 HD13 ILE 9 3HD1 ILE 9 -16.835 -8.452 -1.593
86 H ALA 10 H ALA 10 -13.412 -6.985 0.019
87 HA ALA 10 HA ALA 10 -15.800 -5.275 -0.118
88 HB1 ALA 10 1HB ALA 10 -14.444 -6.791 2.095
89 HB2 ALA 10 2HB ALA 10 -15.274 -5.266 2.487
90 HB3 ALA 10 3HB ALA 10 -16.178 -6.605 1.740
91 H TYR 11 H TYR 11 -15.494 -3.089 -0.143
92 HA TYR 11 HA TYR 11 -12.966 -2.042 0.851
93 HB2 TYR 11 1HB TYR 11 -12.831 -0.731 -1.362
94 HB3 TYR 11 2HB TYR 11 -12.581 -2.454 -1.559
95 HD1 TYR 11 1HD TYR 11 -14.544 -3.889 -2.353
96 HD2 TYR 11 2HD TYR 11 -14.583 0.386 -2.502
97 HE1 TYR 11 1HE TYR 11 -16.423 -3.958 -4.064
98 HE2 TYR 11 2HE TYR 11 -16.461 0.303 -4.213
99 HH TYR 11 HH TYR 11 -17.286 -2.515 -5.846
100 H LYS 12 H LYS 12 -13.036 0.279 1.265
101 HA LYS 12 HA LYS 12 -15.733 1.409 1.138
102 HB2 LYS 12 1HB LYS 12 -15.530 2.236 3.428
103 HB3 LYS 12 2HB LYS 12 -15.486 0.486 3.378
104 HG2 LYS 12 1HG LYS 12 -13.587 0.654 4.627
105 HG3 LYS 12 2HG LYS 12 -12.792 1.113 3.135
106 HD2 LYS 12 1HD LYS 12 -12.240 2.836 4.707
107 HD3 LYS 12 2HD LYS 12 -13.446 3.541 3.651
108 HE2 LYS 12 1HE LYS 12 -15.224 3.089 5.314
109 HE3 LYS 12 2HE LYS 12 -14.081 2.263 6.353
110 HZ1 LYS 12 1HZ LYS 12 -13.928 5.135 5.603
111 HZ2 LYS 12 2HZ LYS 12 -14.378 4.562 7.059
112 HZ3 LYS 12 3HZ LYS 12 -12.852 4.315 6.524
113 H THR 13 H THR 13 -15.586 3.879 1.684
114 HA THR 13 HA THR 13 -13.490 4.916 -0.027
115 HB THR 13 HB THR 13 -16.161 5.777 1.052
116 HG1 THR 13 1HG THR 13 -16.347 5.635 -1.148
117 HG21 THR 13 1HG2 THR 13 -15.393 8.095 -0.101
118 HG22 THR 13 2HG2 THR 13 -15.222 7.839 1.652
119 HG23 THR 13 3HG2 THR 13 -13.818 7.622 0.580
120 H CYS 14 H CYS 14 -11.730 6.073 0.560
121 HA CYS 14 HA CYS 14 -11.492 6.586 3.436
122 HB2 CYS 14 1HB CYS 14 -9.416 5.643 1.447
123 HB3 CYS 14 2HB CYS 14 -8.968 6.398 2.964
124 HA PRO 15 HA PRO 15 -11.324 10.532 1.212
125 HB2 PRO 15 1HB PRO 15 -13.025 11.923 2.838
126 HB3 PRO 15 2HB PRO 15 -13.549 11.098 1.383
127 HG2 PRO 15 1HG PRO 15 -13.925 10.299 4.204
128 HG3 PRO 15 2HG PRO 15 -14.783 9.741 2.782
129 HD2 PRO 15 1HD PRO 15 -12.734 8.334 4.211
130 HD3 PRO 15 2HD PRO 15 -13.509 7.828 2.723
131 H GLU 16 H GLU 16 -11.429 10.198 4.723
132 HA GLU 16 HA GLU 16 -10.176 12.379 5.498
133 HB2 GLU 16 1HB GLU 16 -9.689 9.518 6.415
134 HB3 GLU 16 2HB GLU 16 -9.016 10.896 7.262
135 HG2 GLU 16 1HG GLU 16 -11.809 11.441 6.777
136 HG3 GLU 16 2HG GLU 16 -11.688 9.823 7.437
137 HE2 GLU 16 HE GLU 16 -11.933 9.934 9.472
138 H GLY 17 H GLY 17 -8.712 13.332 4.028
139 HA2 GLY 17 1HA GLY 17 -6.866 13.358 2.626
140 HA3 GLY 17 2HA GLY 17 -6.137 13.307 4.218
141 H LYS 18 H LYS 18 -7.808 10.798 2.179
142 HA LYS 18 HA LYS 18 -5.302 9.334 2.036
143 HB2 LYS 18 1HB LYS 18 -7.696 8.481 3.603
144 HB3 LYS 18 2HB LYS 18 -6.864 7.256 2.668
145 HG2 LYS 18 1HG LYS 18 -5.014 7.288 4.024
146 HG3 LYS 18 2HG LYS 18 -5.023 9.034 4.166
147 HD2 LYS 18 1HD LYS 18 -7.316 8.339 5.577
148 HD3 LYS 18 2HD LYS 18 -6.257 6.989 5.932
149 HE2 LYS 18 1HE LYS 18 -4.564 9.217 6.189
150 HE3 LYS 18 2HE LYS 18 -6.084 9.791 6.846
151 HZ1 LYS 18 1HZ LYS 18 -4.367 7.650 7.843
152 HZ2 LYS 18 2HZ LYS 18 -5.248 8.733 8.682
153 HZ3 LYS 18 3HZ LYS 18 -5.987 7.456 7.978
154 H ASN 19 H ASN 19 -5.823 10.475 -0.144
155 HA ASN 19 HA ASN 19 -7.861 9.048 -1.600
156 HB2 ASN 19 1HB ASN 19 -7.190 11.649 -1.716
157 HB3 ASN 19 2HB ASN 19 -5.991 11.076 -2.859
158 HD21 ASN 19 1HD2 ASN 19 -6.795 11.869 -4.701
159 HD22 ASN 19 2HD2 ASN 19 -8.317 11.439 -5.405
160 H LEU 20 H LEU 20 -5.311 7.749 -0.597
161 HA LEU 20 HA LEU 20 -4.426 6.726 -3.171
162 HB2 LEU 20 1HB LEU 20 -2.626 7.980 -1.108
163 HB3 LEU 20 2HB LEU 20 -2.041 6.802 -2.265
164 HG LEU 20 HG LEU 20 -3.232 9.518 -2.879
165 HD11 LEU 20 1HD1 LEU 20 -1.098 10.077 -2.392
166 HD12 LEU 20 2HD1 LEU 20 -0.479 8.433 -2.677
167 HD13 LEU 20 3HD1 LEU 20 -0.809 9.511 -4.055
168 HD21 LEU 20 1HD2 LEU 20 -3.040 7.137 -4.547
169 HD22 LEU 20 2HD2 LEU 20 -3.889 8.674 -4.831
170 HD23 LEU 20 3HD2 LEU 20 -2.163 8.523 -5.237
171 H CYS 21 H CYS 21 -4.414 4.536 -3.140
172 HA CYS 21 HA CYS 21 -4.664 3.303 -0.509
173 HB2 CYS 21 1HB CYS 21 -5.204 1.926 -3.142
174 HB3 CYS 21 2HB CYS 21 -5.778 1.494 -1.544
175 H TYR 22 H TYR 22 -3.395 1.295 -0.103
176 HA TYR 22 HA TYR 22 -1.146 0.867 -1.898
177 HB2 TYR 22 1HB TYR 22 0.443 1.307 -0.099
178 HB3 TYR 22 2HB TYR 22 -0.677 2.653 -0.041
179 HD1 TYR 22 1HD TYR 22 -1.904 3.126 1.923
180 HD2 TYR 22 2HD TYR 22 0.072 -0.648 1.525
181 HE1 TYR 22 1HE TYR 22 -2.396 2.603 4.362
182 HE2 TYR 22 2HE TYR 22 -0.426 -1.158 3.965
183 HH TYR 22 HH TYR 22 -2.606 0.029 5.644
184 H LYS 23 H LYS 23 -0.090 -1.195 -1.570
185 HA LYS 23 HA LYS 23 -1.295 -2.941 0.409
186 HB2 LYS 23 1HB LYS 23 -1.872 -4.656 -1.239
187 HB3 LYS 23 2HB LYS 23 -2.799 -3.192 -1.487
188 HG2 LYS 23 1HG LYS 23 -0.577 -2.709 -3.078
189 HG3 LYS 23 2HG LYS 23 -0.746 -4.446 -3.234
190 HD2 LYS 23 1HD LYS 23 -2.481 -4.168 -4.663
191 HD3 LYS 23 2HD LYS 23 -3.386 -3.324 -3.423
192 HE2 LYS 23 1HE LYS 23 -1.378 -2.059 -5.348
193 HE3 LYS 23 2HE LYS 23 -3.121 -1.891 -5.423
194 HZ1 LYS 23 1HZ LYS 23 -3.112 -0.669 -3.389
195 HZ2 LYS 23 2HZ LYS 23 -1.565 -1.043 -3.044
196 HZ3 LYS 23 3HZ LYS 23 -1.905 -0.068 -4.314
197 H MET 24 H MET 24 0.359 -3.913 1.438
198 HA MET 24 HA MET 24 2.889 -4.000 0.047
199 HB2 MET 24 1HB MET 24 1.974 -4.336 2.941
200 HB3 MET 24 2HB MET 24 3.596 -4.805 2.470
201 HG2 MET 24 1HG MET 24 4.131 -2.620 2.907
202 HG3 MET 24 2HG MET 24 3.449 -2.299 1.325
203 HE1 MET 24 1HE MET 24 2.718 -0.556 5.004
204 HE2 MET 24 2HE MET 24 1.836 -2.043 5.426
205 HE3 MET 24 3HE MET 24 3.501 -2.142 4.807
206 H PHE 25 H PHE 25 3.913 -5.888 -0.602
207 HA PHE 25 HA PHE 25 2.457 -8.364 0.005
208 HB2 PHE 25 1HB PHE 25 4.233 -7.492 -2.353
209 HB3 PHE 25 2HB PHE 25 3.519 -9.086 -2.213
210 HD1 PHE 25 1HD PHE 25 2.953 -5.628 -3.114
211 HD2 PHE 25 2HD PHE 25 1.052 -9.350 -2.383
212 HE1 PHE 25 1HE PHE 25 0.893 -4.806 -4.289
213 HE2 PHE 25 2HE PHE 25 -1.008 -8.529 -3.558
214 HZ PHE 25 HZ PHE 25 -1.064 -6.267 -4.496
215 H MET 26 H MET 26 3.710 -10.301 0.390
216 HA MET 26 HA MET 26 6.172 -9.677 1.703
217 HB2 MET 26 1HB MET 26 4.103 -11.546 2.047
218 HB3 MET 26 2HB MET 26 5.392 -12.537 1.393
219 HG2 MET 26 1HG MET 26 6.943 -11.520 3.172
220 HG3 MET 26 2HG MET 26 5.525 -10.779 3.887
221 HE1 MET 26 1HE MET 26 3.229 -13.072 4.874
222 HE2 MET 26 2HE MET 26 4.376 -12.892 6.223
223 HE3 MET 26 3HE MET 26 4.068 -11.523 5.127
224 H MET 27 H MET 27 8.242 -10.107 0.979
225 HA MET 27 HA MET 27 9.865 -10.680 -0.348
226 HB2 MET 27 1HB MET 27 7.872 -12.909 -0.930
227 HB3 MET 27 2HB MET 27 9.365 -12.841 -1.846
228 HG2 MET 27 1HG MET 27 9.588 -12.589 1.147
229 HG3 MET 27 2HG MET 27 9.169 -14.167 0.511
230 HE1 MET 27 1HE MET 27 11.935 -14.722 -2.141
231 HE2 MET 27 2HE MET 27 11.225 -15.767 -0.887
232 HE3 MET 27 3HE MET 27 10.177 -14.709 -1.863
233 H SER 28 H SER 28 7.111 -11.666 -2.506
234 HA SER 28 HA SER 28 8.056 -9.601 -4.337
235 HB2 SER 28 1HB SER 28 8.315 -12.150 -4.939
236 HB3 SER 28 2HB SER 28 6.589 -12.095 -5.241
237 HG SER 28 HG SER 28 7.566 -11.625 -7.206
238 H ASP 29 H ASP 29 6.255 -8.821 -5.887
239 HA ASP 29 HA ASP 29 3.976 -8.254 -4.264
240 HB2 ASP 29 1HB ASP 29 3.388 -7.086 -6.647
241 HB3 ASP 29 2HB ASP 29 4.425 -6.338 -5.448
242 HD2 ASP 29 HD ASP 29 5.577 -5.248 -7.219
243 H LEU 30 H LEU 30 4.873 -10.061 -7.247
244 HA LEU 30 HA LEU 30 2.525 -10.586 -8.423
245 HB2 LEU 30 1HB LEU 30 4.884 -12.380 -7.896
246 HB3 LEU 30 2HB LEU 30 3.524 -12.901 -8.872
247 HG LEU 30 HG LEU 30 4.889 -10.319 -9.555
248 HD11 LEU 30 1HD1 LEU 30 6.254 -11.968 -11.165
249 HD12 LEU 30 2HD1 LEU 30 6.861 -11.436 -9.579
250 HD13 LEU 30 3HD1 LEU 30 6.091 -13.032 -9.747
251 HD21 LEU 30 1HD2 LEU 30 3.681 -10.440 -11.420
252 HD22 LEU 30 2HD2 LEU 30 4.167 -12.126 -11.719
253 HD23 LEU 30 3HD2 LEU 30 2.789 -11.773 -10.650
254 H THR 31 H THR 31 3.845 -12.381 -5.558
255 HA THR 31 HA THR 31 1.591 -14.024 -5.251
256 HB THR 31 HB THR 31 2.639 -14.474 -3.035
257 HG1 THR 31 1HG THR 31 3.283 -12.384 -2.392
258 HG21 THR 31 1HG2 THR 31 3.948 -14.823 -5.498
259 HG22 THR 31 2HG2 THR 31 5.156 -13.971 -4.506
260 HG23 THR 31 3HG2 THR 31 4.471 -15.516 -3.945
261 H ILE 32 H ILE 32 0.311 -13.971 -3.045
262 HA ILE 32 HA ILE 32 -1.372 -11.734 -3.244
263 HB ILE 32 HB ILE 32 -1.268 -14.261 -1.861
264 HG12 ILE 32 1HG1 ILE 32 -3.867 -13.519 -1.838
265 HG13 ILE 32 2HG1 ILE 32 -3.268 -12.412 -3.058
266 HG21 ILE 32 1HG2 ILE 32 -1.011 -13.208 0.213
267 HG22 ILE 32 2HG2 ILE 32 -2.062 -11.846 -0.240
268 HG23 ILE 32 3HG2 ILE 32 -2.767 -13.453 0.056
269 HD11 ILE 32 1HD1 ILE 32 -3.995 -15.038 -3.530
270 HD12 ILE 32 2HD1 ILE 32 -2.925 -14.081 -4.580
271 HD13 ILE 32 3HD1 ILE 32 -2.228 -15.174 -3.361
272 HA PRO 33 HA PRO 33 0.550 -8.942 -0.575
273 HB2 PRO 33 1HB PRO 33 -1.561 -7.390 0.203
274 HB3 PRO 33 2HB PRO 33 -0.750 -7.202 -1.340
275 HG2 PRO 33 1HG PRO 33 -3.382 -8.420 -0.767
276 HG3 PRO 33 2HG PRO 33 -2.749 -7.842 -2.295
277 HD2 PRO 33 1HD PRO 33 -2.968 -10.574 -1.452
278 HD3 PRO 33 2HD PRO 33 -2.229 -9.990 -2.929
279 H VAL 34 H VAL 34 0.798 -8.086 1.635
280 HA VAL 34 HA VAL 34 -0.165 -10.173 3.445
281 HB VAL 34 HB VAL 34 1.669 -9.618 4.839
282 HG11 VAL 34 1HG1 VAL 34 3.069 -10.772 3.542
283 HG12 VAL 34 2HG1 VAL 34 1.997 -10.454 2.157
284 HG13 VAL 34 3HG1 VAL 34 3.348 -9.350 2.509
285 HG21 VAL 34 1HG2 VAL 34 3.270 -7.717 3.795
286 HG22 VAL 34 2HG2 VAL 34 1.688 -7.083 3.280
287 HG23 VAL 34 3HG2 VAL 34 2.010 -7.376 5.006
288 H LYS 35 H LYS 35 -0.133 -6.658 2.792
289 HA LYS 35 HA LYS 35 -2.450 -6.360 4.447
290 HB2 LYS 35 1HB LYS 35 -0.722 -6.242 6.168
291 HB3 LYS 35 2HB LYS 35 0.139 -5.010 5.266
292 HG2 LYS 35 1HG LYS 35 -2.131 -3.675 5.364
293 HG3 LYS 35 2HG LYS 35 -2.558 -4.792 6.646
294 HD2 LYS 35 1HD LYS 35 -0.525 -4.147 7.921
295 HD3 LYS 35 2HD LYS 35 -0.027 -3.079 6.624
296 HE2 LYS 35 1HE LYS 35 -2.572 -2.140 7.064
297 HE3 LYS 35 2HE LYS 35 -2.174 -2.705 8.674
298 HZ1 LYS 35 1HZ LYS 35 -1.428 -0.317 7.755
299 HZ2 LYS 35 2HZ LYS 35 -0.586 -1.103 8.906
300 HZ3 LYS 35 3HZ LYS 35 -0.122 -1.211 7.340
301 H ARG 36 H ARG 36 -3.508 -4.283 4.079
302 HA ARG 36 HA ARG 36 -2.314 -2.461 2.301
303 HB2 ARG 36 1HB ARG 36 -4.007 -2.756 0.441
304 HB3 ARG 36 2HB ARG 36 -2.898 -4.106 0.590
305 HG2 ARG 36 1HG ARG 36 -4.564 -5.439 1.786
306 HG3 ARG 36 2HG ARG 36 -5.646 -4.066 1.917
307 HD2 ARG 36 1HD ARG 36 -6.500 -4.420 -0.167
308 HD3 ARG 36 2HD ARG 36 -4.903 -4.529 -0.883
309 HE ARG 36 HE ARG 36 -5.785 -6.891 0.670
310 HH11 ARG 36 1HH ARG 36 -5.818 -8.935 -2.138
311 HH12 ARG 36 2HH1 ARG 36 -5.916 -8.838 -0.448
312 HH21 ARG 36 1HH2 ARG 36 -5.523 -6.903 -3.375
313 HH22 ARG 36 2HH2 ARG 36 -5.420 -5.398 -2.523
314 H GLY 37 H GLY 37 -3.458 -0.457 2.348
315 HA2 GLY 37 1HA GLY 37 -6.178 -0.389 3.362
316 HA3 GLY 37 2HA GLY 37 -4.960 0.267 4.441
317 H CYS 38 H CYS 38 -5.836 2.420 4.242
318 HA CYS 38 HA CYS 38 -5.509 3.583 1.579
319 HB2 CYS 38 1HB CYS 38 -6.974 4.901 3.867
320 HB3 CYS 38 2HB CYS 38 -7.097 5.233 2.151
321 H ILE 39 H ILE 39 -4.510 5.813 1.541
322 HA ILE 39 HA ILE 39 -3.117 6.715 3.850
323 HB ILE 39 HB ILE 39 -1.767 4.726 3.068
324 HG12 ILE 39 1HG1 ILE 39 -0.042 7.160 2.912
325 HG13 ILE 39 2HG1 ILE 39 -1.031 6.955 4.344
326 HG21 ILE 39 1HG2 ILE 39 -1.692 4.716 0.777
327 HG22 ILE 39 2HG2 ILE 39 -1.542 6.485 0.658
328 HG23 ILE 39 3HG2 ILE 39 -0.140 5.504 1.148
329 HD11 ILE 39 1HD1 ILE 39 1.055 5.026 3.247
330 HD12 ILE 39 2HD1 ILE 39 1.069 5.874 4.811
331 HD13 ILE 39 3HD1 ILE 39 -0.104 4.568 4.518
332 H ASP 40 H ASP 40 -1.428 8.532 2.971
333 HA ASP 40 HA ASP 40 -2.961 9.940 0.930
334 HB2 ASP 40 1HB ASP 40 -2.875 10.895 3.318
335 HB3 ASP 40 2HB ASP 40 -1.159 11.158 3.072
336 HD2 ASP 40 HD ASP 40 -4.055 12.575 2.860
337 H VAL 41 H VAL 41 0.235 8.979 2.241
338 HA VAL 41 HA VAL 41 1.440 9.819 -0.299
339 HB VAL 41 HB VAL 41 2.480 10.180 2.511
340 HG11 VAL 41 1HG1 VAL 41 4.356 11.241 0.703
341 HG12 VAL 41 2HG1 VAL 41 4.553 9.824 1.762
342 HG13 VAL 41 3HG1 VAL 41 3.972 9.613 0.093
343 HG21 VAL 41 1HG2 VAL 41 1.000 11.953 1.627
344 HG22 VAL 41 2HG2 VAL 41 2.665 12.529 1.882
345 HG23 VAL 41 3HG2 VAL 41 2.093 12.156 0.237
346 H CYS 42 H CYS 42 2.803 8.314 -1.256
347 HA CYS 42 HA CYS 42 2.548 5.661 -0.274
348 HB2 CYS 42 1HB CYS 42 2.564 6.311 -2.709
349 HB3 CYS 42 2HB CYS 42 4.278 6.648 -2.562
350 HA PRO 43 HA PRO 43 6.200 6.034 2.157
351 HB2 PRO 43 1HB PRO 43 6.076 3.583 3.361
352 HB3 PRO 43 2HB PRO 43 5.223 4.991 3.963
353 HG2 PRO 43 1HG PRO 43 4.146 2.652 2.510
354 HG3 PRO 43 2HG PRO 43 3.287 3.836 3.476
355 HD2 PRO 43 1HD PRO 43 3.378 3.698 0.613
356 HD3 PRO 43 2HD PRO 43 2.616 4.946 1.578
357 H LYS 44 H LYS 44 8.339 5.006 2.479
358 HA LYS 44 HA LYS 44 9.259 4.194 -0.068
359 HB2 LYS 44 1HB LYS 44 10.652 4.147 2.625
360 HB3 LYS 44 2HB LYS 44 11.431 3.981 1.064
361 HG2 LYS 44 1HG LYS 44 11.044 6.227 0.469
362 HG3 LYS 44 2HG LYS 44 9.661 6.385 1.534
363 HD2 LYS 44 1HD LYS 44 12.395 5.873 2.733
364 HD3 LYS 44 2HD LYS 44 11.993 7.488 2.186
365 HE2 LYS 44 1HE LYS 44 10.511 7.847 3.904
366 HE3 LYS 44 2HE LYS 44 9.850 6.227 3.810
367 HZ1 LYS 44 1HZ LYS 44 12.503 6.054 4.740
368 HZ2 LYS 44 2HZ LYS 44 11.737 7.173 5.642
369 HZ3 LYS 44 3HZ LYS 44 11.102 5.672 5.494
370 H ASN 45 H ASN 45 9.554 2.187 -0.940
371 HA ASN 45 HA ASN 45 8.325 0.039 0.406
372 HB2 ASN 45 1HB ASN 45 8.265 0.261 -2.071
373 HB3 ASN 45 2HB ASN 45 10.012 0.148 -2.150
374 HD21 ASN 45 1HD2 ASN 45 9.931 -1.643 -3.478
375 HD22 ASN 45 2HD2 ASN 45 9.514 -3.228 -2.918
376 H SER 46 H SER 46 9.582 -2.183 0.549
377 HA SER 46 HA SER 46 12.344 -1.657 1.313
378 HB2 SER 46 1HB SER 46 12.121 -3.062 3.265
379 HB3 SER 46 2HB SER 46 10.820 -1.889 3.313
380 HG SER 46 HG SER 46 10.281 -4.244 3.743
381 H LEU 47 H LEU 47 13.517 -3.965 1.604
382 HA LEU 47 HA LEU 47 13.069 -5.319 -0.905
383 HB2 LEU 47 1HB LEU 47 15.290 -5.080 -0.697
384 HB3 LEU 47 2HB LEU 47 15.244 -5.027 1.053
385 HG LEU 47 HG LEU 47 14.636 -7.681 -0.075
386 HD11 LEU 47 1HD1 LEU 47 17.498 -6.755 -0.290
387 HD12 LEU 47 2HD1 LEU 47 16.746 -8.239 -0.922
388 HD13 LEU 47 3HD1 LEU 47 16.371 -6.665 -1.664
389 HD21 LEU 47 1HD2 LEU 47 15.794 -6.492 2.303
390 HD22 LEU 47 2HD2 LEU 47 15.087 -8.108 2.059
391 HD23 LEU 47 3HD2 LEU 47 16.802 -7.820 1.680
392 H LEU 48 H LEU 48 12.233 -5.655 2.468
393 HA LEU 48 HA LEU 48 11.917 -8.499 2.359
394 HB2 LEU 48 1HB LEU 48 11.511 -6.324 4.337
395 HB3 LEU 48 2HB LEU 48 10.541 -7.767 4.541
396 HG LEU 48 HG LEU 48 12.583 -7.838 5.885
397 HD11 LEU 48 1HD1 LEU 48 13.516 -10.005 4.433
398 HD12 LEU 48 2HD1 LEU 48 12.215 -10.021 5.647
399 HD13 LEU 48 3HD1 LEU 48 11.818 -9.852 3.920
400 HD21 LEU 48 1HD2 LEU 48 13.854 -7.159 3.299
401 HD22 LEU 48 2HD2 LEU 48 14.327 -6.745 4.964
402 HD23 LEU 48 3HD2 LEU 48 14.712 -8.351 4.303
403 H VAL 49 H VAL 49 9.612 -5.697 2.639
404 HA VAL 49 HA VAL 49 7.637 -7.425 1.314
405 HB VAL 49 HB VAL 49 7.002 -5.070 3.077
406 HG11 VAL 49 1HG1 VAL 49 4.844 -6.125 3.299
407 HG12 VAL 49 2HG1 VAL 49 5.251 -6.030 1.569
408 HG13 VAL 49 3HG1 VAL 49 5.411 -7.576 2.438
409 HG21 VAL 49 1HG2 VAL 49 8.153 -7.616 3.899
410 HG22 VAL 49 2HG2 VAL 49 7.820 -6.151 4.855
411 HG23 VAL 49 3HG2 VAL 49 6.538 -7.362 4.606
412 H LYS 50 H LYS 50 6.679 -6.686 -0.555
413 HA LYS 50 HA LYS 50 7.862 -4.303 -1.687
414 HB2 LYS 50 1HB LYS 50 7.473 -6.628 -2.821
415 HB3 LYS 50 2HB LYS 50 5.835 -6.052 -3.059
416 HG2 LYS 50 1HG LYS 50 8.164 -4.267 -3.818
417 HG3 LYS 50 2HG LYS 50 7.694 -5.570 -4.891
418 HD2 LYS 50 1HD LYS 50 5.517 -4.657 -5.253
419 HD3 LYS 50 2HD LYS 50 5.605 -3.639 -3.830
420 HE2 LYS 50 1HE LYS 50 6.703 -1.964 -4.942
421 HE3 LYS 50 2HE LYS 50 7.776 -3.081 -5.762
422 HZ1 LYS 50 1HZ LYS 50 6.354 -3.248 -7.529
423 HZ2 LYS 50 2HZ LYS 50 4.995 -3.110 -6.641
424 HZ3 LYS 50 3HZ LYS 50 5.883 -1.778 -6.982
425 H TYR 51 H TYR 51 6.792 -2.386 -2.156
426 HA TYR 51 HA TYR 51 4.109 -2.189 -0.972
427 HB2 TYR 51 1HB TYR 51 6.542 -0.379 -1.388
428 HB3 TYR 51 2HB TYR 51 4.970 0.361 -1.167
429 HD1 TYR 51 1HD TYR 51 5.085 1.381 0.939
430 HD2 TYR 51 2HD TYR 51 6.390 -2.670 0.509
431 HE1 TYR 51 1HE TYR 51 5.355 1.194 3.459
432 HE2 TYR 51 2HE TYR 51 6.657 -2.844 3.031
433 HH TYR 51 HH TYR 51 5.454 -1.528 5.062
434 H VAL 52 H VAL 52 2.392 -1.631 -2.243
435 HA VAL 52 HA VAL 52 3.014 -0.519 -4.883
436 HB VAL 52 HB VAL 52 0.830 -2.538 -4.463
437 HG11 VAL 52 1HG1 VAL 52 0.544 -2.411 -6.689
438 HG12 VAL 52 2HG1 VAL 52 1.499 -0.912 -6.587
439 HG13 VAL 52 3HG1 VAL 52 2.294 -2.448 -7.011
440 HG21 VAL 52 1HG2 VAL 52 2.462 -4.243 -5.411
441 HG22 VAL 52 2HG2 VAL 52 3.759 -3.096 -4.999
442 HG23 VAL 52 3HG2 VAL 52 2.723 -3.765 -3.716
443 H CYS 53 H CYS 53 2.191 1.508 -4.866
444 HA CYS 53 HA CYS 53 -0.232 1.938 -3.301
445 HB2 CYS 53 1HB CYS 53 1.676 3.998 -4.453
446 HB3 CYS 53 2HB CYS 53 0.322 4.314 -3.386
447 H CYS 54 H CYS 54 -1.907 3.418 -4.348
448 HA CYS 54 HA CYS 54 -1.787 3.624 -7.203
449 HB2 CYS 54 1HB CYS 54 -4.074 2.408 -7.390
450 HB3 CYS 54 2HB CYS 54 -2.603 1.457 -7.361
451 H ASN 55 H ASN 55 -4.119 4.580 -7.910
452 HA ASN 55 HA ASN 55 -5.129 6.183 -5.709
453 HB2 ASN 55 1HB ASN 55 -5.050 8.222 -7.033
454 HB3 ASN 55 2HB ASN 55 -3.452 7.506 -7.117
455 HD21 ASN 55 1HD2 ASN 55 -2.897 6.215 -8.970
456 HD22 ASN 55 2HD2 ASN 55 -3.589 6.554 -10.521
457 H THR 56 H THR 56 -5.873 3.762 -7.595
458 HA THR 56 HA THR 56 -8.390 4.898 -8.626
459 HB THR 56 HB THR 56 -8.225 2.789 -10.146
460 HG1 THR 56 1HG THR 56 -6.147 1.813 -10.073
461 HG21 THR 56 1HG2 THR 56 -6.976 3.937 -11.770
462 HG22 THR 56 2HG2 THR 56 -7.371 5.287 -10.680
463 HG23 THR 56 3HG2 THR 56 -5.775 4.504 -10.585
464 H ASP 57 H ASP 57 -10.345 3.843 -8.214
465 HA ASP 57 HA ASP 57 -10.492 2.673 -5.722
466 HB2 ASP 57 1HB ASP 57 -12.518 2.305 -7.969
467 HB3 ASP 57 2HB ASP 57 -12.840 2.289 -6.247
468 HD2 ASP 57 HD ASP 57 -12.112 5.817 -6.122
469 H ARG 58 H ARG 58 -10.727 0.444 -5.075
470 HA ARG 58 HA ARG 58 -10.426 -1.693 -5.150
471 HB2 ARG 58 1HB ARG 58 -11.268 -1.775 -8.074
472 HB3 ARG 58 2HB ARG 58 -11.542 -2.989 -6.840
473 HG2 ARG 58 1HG ARG 58 -13.001 -1.262 -5.616
474 HG3 ARG 58 2HG ARG 58 -12.862 -0.244 -7.035
475 HD2 ARG 58 1HD ARG 58 -14.927 -1.506 -7.248
476 HD3 ARG 58 2HD ARG 58 -13.803 -2.142 -8.432
477 HE ARG 58 HE ARG 58 -13.805 -3.516 -5.812
478 HH11 ARG 58 1HH ARG 58 -15.039 -6.470 -7.160
479 HH12 ARG 58 2HH1 ARG 58 -14.358 -5.695 -5.814
480 HH21 ARG 58 1HH2 ARG 58 -15.422 -5.172 -9.139
481 HH22 ARG 58 2HH2 ARG 58 -14.999 -3.493 -9.148
482 H CYS 59 H CYS 59 -8.233 0.139 -6.032
483 HA CYS 59 HA CYS 59 -6.884 -1.161 -8.172
484 HB2 CYS 59 1HB CYS 59 -5.038 0.376 -7.650
485 HB3 CYS 59 2HB CYS 59 -6.565 1.224 -7.790
486 H ASN 60 H ASN 60 -7.236 -1.550 -4.700
487 HA ASN 60 HA ASN 60 -4.945 -3.350 -4.707
488 HB2 ASN 60 1HB ASN 60 -4.953 -3.090 -2.229
489 HB3 ASN 60 2HB ASN 60 -4.829 -1.525 -3.010
490 HD21 ASN 60 1HD2 ASN 60 -5.585 -1.339 -0.564
491 HD22 ASN 60 2HD2 ASN 60 -7.281 -1.061 -0.355
492 H1 HOH 101 1H HOH 61 3.351 -12.600 -0.610
493 H2 HOH 101 2H HOH 61 2.160 -12.499 0.319
Contact the webmaster for help, if required. Thursday, May 9, 2024 8:54:35 PM GMT (wattos1)