Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
280092 | 2kit RC | 16295 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASN 1 1H ASN 1 -24.293 -5.286 4.517
2 H2 ASN 1 2H ASN 1 -23.633 -5.120 2.960
3 H3 ASN 1 3H ASN 1 -25.043 -6.038 3.196
4 HA ASN 1 HA ASN 1 -25.163 -3.593 2.293
5 HB2 ASN 1 1HB ASN 1 -27.063 -4.487 4.471
6 HB3 ASN 1 2HB ASN 1 -27.433 -3.539 3.030
7 HD21 ASN 1 2HD2 ASN 1 -26.610 -4.850 0.896
8 HD22 ASN 1 1HD2 ASN 1 -27.113 -6.470 0.855
9 H GLU 2 H GLU 2 -25.457 -4.117 5.829
10 HA GLU 2 HA GLU 2 -25.376 -1.349 6.504
11 HB2 GLU 2 1HB GLU 2 -26.142 -2.984 8.125
12 HB3 GLU 2 2HB GLU 2 -24.578 -3.800 8.101
13 HG2 GLU 2 1HG GLU 2 -23.488 -1.969 9.161
14 HG3 GLU 2 2HG GLU 2 -24.857 -0.893 8.878
15 H LEU 3 H LEU 3 -22.814 -3.725 6.011
16 HA LEU 3 HA LEU 3 -20.576 -2.452 7.069
17 HB2 LEU 3 1HB LEU 3 -20.629 -3.655 4.294
18 HB3 LEU 3 2HB LEU 3 -19.247 -3.528 5.381
19 HG LEU 3 HG LEU 3 -21.633 -5.370 5.561
20 HD11 LEU 3 1HD1 LEU 3 -19.900 -7.056 5.800
21 HD12 LEU 3 2HD1 LEU 3 -18.662 -5.806 5.953
22 HD13 LEU 3 3HD1 LEU 3 -19.500 -6.032 4.419
23 HD21 LEU 3 3HD2 LEU 3 -21.557 -4.445 7.793
24 HD22 LEU 3 1HD2 LEU 3 -19.794 -4.517 7.823
25 HD23 LEU 3 2HD2 LEU 3 -20.738 -6.005 7.859
26 H ASP 4 H ASP 4 -18.902 -1.143 5.931
27 HA ASP 4 HA ASP 4 -20.052 1.208 4.731
28 HB2 ASP 4 1HB ASP 4 -17.281 0.216 5.255
29 HB3 ASP 4 2HB ASP 4 -17.494 1.588 4.182
30 H VAL 5 H VAL 5 -18.772 1.852 2.506
31 HA VAL 5 HA VAL 5 -19.409 -0.392 0.652
32 HB VAL 5 HB VAL 5 -19.749 2.568 0.556
33 HG11 VAL 5 1HG1 VAL 5 -20.144 2.383 -1.931
34 HG12 VAL 5 2HG1 VAL 5 -19.385 0.793 -1.876
35 HG13 VAL 5 3HG1 VAL 5 -18.443 2.234 -1.473
36 HG21 VAL 5 3HG2 VAL 5 -21.953 1.968 -0.147
37 HG22 VAL 5 1HG2 VAL 5 -21.513 0.897 1.192
38 HG23 VAL 5 2HG2 VAL 5 -21.456 0.305 -0.474
39 HA PRO 6 HA PRO 6 -15.276 0.939 -1.077
40 HB2 PRO 6 1HB PRO 6 -14.019 3.169 -0.421
41 HB3 PRO 6 2HB PRO 6 -15.558 3.281 -1.309
42 HG2 PRO 6 1HG PRO 6 -15.085 3.506 1.640
43 HG3 PRO 6 2HG PRO 6 -15.930 4.640 0.561
44 HD2 PRO 6 1HD PRO 6 -17.269 2.725 2.005
45 HD3 PRO 6 2HD PRO 6 -17.813 3.324 0.431
46 H GLU 7 H GLU 7 -15.813 -0.197 1.623
47 HA GLU 7 HA GLU 7 -13.686 0.275 3.420
48 HB2 GLU 7 1HB GLU 7 -15.881 -1.483 3.284
49 HB3 GLU 7 2HB GLU 7 -14.498 -2.570 3.332
50 HG2 GLU 7 1HG GLU 7 -14.982 -0.303 5.291
51 HG3 GLU 7 2HG GLU 7 -15.366 -1.996 5.602
52 H GLN 8 H GLN 8 -13.786 -1.842 0.558
53 HA GLN 8 HA GLN 8 -11.357 -3.213 0.951
54 HB2 GLN 8 1HB GLN 8 -12.061 -2.045 -1.747
55 HB3 GLN 8 2HB GLN 8 -11.341 -3.613 -1.375
56 HG2 GLN 8 1HG GLN 8 -13.565 -4.126 -0.149
57 HG3 GLN 8 2HG GLN 8 -14.209 -2.735 -1.024
58 HE21 GLN 8 2HE2 GLN 8 -12.874 -6.004 -1.434
59 HE22 GLN 8 1HE2 GLN 8 -13.392 -6.199 -3.039
60 H VAL 9 H VAL 9 -11.916 0.038 -0.327
61 HA VAL 9 HA VAL 9 -9.375 0.884 -1.034
62 HB VAL 9 HB VAL 9 -11.361 2.424 0.651
63 HG11 VAL 9 1HG1 VAL 9 -9.431 3.701 0.698
64 HG12 VAL 9 2HG1 VAL 9 -10.279 4.350 -0.711
65 HG13 VAL 9 3HG1 VAL 9 -8.944 3.218 -0.933
66 HG21 VAL 9 3HG2 VAL 9 -12.529 1.641 -1.257
67 HG22 VAL 9 1HG2 VAL 9 -11.151 1.945 -2.318
68 HG23 VAL 9 2HG2 VAL 9 -12.057 3.300 -1.642
69 H ASP 10 H ASP 10 -10.745 1.631 2.128
70 HA ASP 10 HA ASP 10 -8.454 2.302 3.518
71 HB2 ASP 10 1HB ASP 10 -10.627 2.524 4.499
72 HB3 ASP 10 2HB ASP 10 -10.925 0.785 4.402
73 H LYS 11 H LYS 11 -9.549 -0.925 2.646
74 HA LYS 11 HA LYS 11 -7.458 -2.234 4.233
75 HB2 LYS 11 1HB LYS 11 -9.277 -3.324 2.063
76 HB3 LYS 11 2HB LYS 11 -8.221 -4.295 3.085
77 HG2 LYS 11 1HG LYS 11 -9.440 -3.522 5.078
78 HG3 LYS 11 2HG LYS 11 -10.494 -2.544 4.060
79 HD2 LYS 11 1HD LYS 11 -11.054 -4.718 2.817
80 HD3 LYS 11 2HD LYS 11 -10.276 -5.557 4.160
81 HE2 LYS 11 1HE LYS 11 -11.823 -4.213 5.700
82 HE3 LYS 11 2HE LYS 11 -12.716 -3.781 4.242
83 HZ1 LYS 11 3HZ LYS 11 -13.569 -5.777 5.422
84 HZ2 LYS 11 1HZ LYS 11 -12.122 -6.575 5.035
85 HZ3 LYS 11 2HZ LYS 11 -13.161 -6.054 3.796
86 H LEU 12 H LEU 12 -8.057 -1.339 0.858
87 HA LEU 12 HA LEU 12 -5.753 -2.529 -0.276
88 HB2 LEU 12 1HB LEU 12 -7.279 -0.067 -0.918
89 HB3 LEU 12 2HB LEU 12 -5.955 -0.614 -1.892
90 HG LEU 12 HG LEU 12 -8.686 -1.395 -2.052
91 HD11 LEU 12 1HD1 LEU 12 -7.125 -1.073 -3.899
92 HD12 LEU 12 2HD1 LEU 12 -7.865 -2.675 -3.987
93 HD13 LEU 12 3HD1 LEU 12 -6.215 -2.491 -3.372
94 HD21 LEU 12 3HD2 LEU 12 -8.083 -3.215 -0.366
95 HD22 LEU 12 1HD2 LEU 12 -6.969 -3.841 -1.578
96 HD23 LEU 12 2HD2 LEU 12 -8.693 -3.779 -1.908
97 H ILE 13 H ILE 13 -6.240 0.773 0.929
98 HA ILE 13 HA ILE 13 -3.754 1.892 0.783
99 HB ILE 13 HB ILE 13 -5.960 1.887 2.799
100 HG12 ILE 13 1HG1 ILE 13 -5.929 4.293 2.270
101 HG13 ILE 13 2HG1 ILE 13 -4.541 4.046 1.222
102 HG21 ILE 13 1HG2 ILE 13 -4.667 3.653 4.119
103 HG22 ILE 13 2HG2 ILE 13 -3.213 3.016 3.340
104 HG23 ILE 13 3HG2 ILE 13 -4.192 1.970 4.374
105 HD11 ILE 13 3HD1 ILE 13 -5.908 2.487 -0.147
106 HD12 ILE 13 1HD1 ILE 13 -6.603 4.105 -0.094
107 HD13 ILE 13 2HD1 ILE 13 -7.287 2.823 0.898
108 H GLN 14 H GLN 14 -4.789 -0.335 3.406
109 HA GLN 14 HA GLN 14 -2.353 -0.494 4.779
110 HB2 GLN 14 1HB GLN 14 -4.317 -2.739 4.243
111 HB3 GLN 14 2HB GLN 14 -3.089 -2.729 5.483
112 HG2 GLN 14 1HG GLN 14 -4.118 -0.712 6.489
113 HG3 GLN 14 2HG GLN 14 -5.392 -0.798 5.276
114 HE21 GLN 14 2HE2 GLN 14 -7.081 -1.255 6.842
115 HE22 GLN 14 1HE2 GLN 14 -7.161 -2.740 7.660
116 H GLN 15 H GLN 15 -3.464 -2.350 1.940
117 HA GLN 15 HA GLN 15 -1.100 -3.917 1.636
118 HB2 GLN 15 1HB GLN 15 -2.718 -2.788 -0.664
119 HB3 GLN 15 2HB GLN 15 -1.775 -4.275 -0.644
120 HG2 GLN 15 1HG GLN 15 -3.309 -5.211 1.063
121 HG3 GLN 15 2HG GLN 15 -4.272 -3.738 0.985
122 HE21 GLN 15 2HE2 GLN 15 -3.956 -3.405 -1.944
123 HE22 GLN 15 1HE2 GLN 15 -4.900 -4.617 -2.665
124 H ALA 16 H ALA 16 -2.009 -0.872 0.039
125 HA ALA 16 HA ALA 16 0.398 -0.285 -1.270
126 HB1 ALA 16 3HB ALA 16 -1.456 1.661 0.145
127 HB2 ALA 16 1HB ALA 16 -1.642 1.080 -1.510
128 HB3 ALA 16 2HB ALA 16 -0.264 2.094 -1.082
129 H THR 17 H THR 17 -0.469 0.401 2.141
130 HA THR 17 HA THR 17 1.868 1.835 2.814
131 HB THR 17 HB THR 17 -0.141 0.178 4.311
132 HG1 THR 17 HG1 THR 17 0.269 2.716 3.693
133 HG21 THR 17 3HG2 THR 17 1.074 0.930 6.427
134 HG22 THR 17 1HG2 THR 17 2.477 1.200 5.394
135 HG23 THR 17 2HG2 THR 17 1.790 -0.416 5.541
136 H SER 18 H SER 18 1.219 -1.681 2.835
137 HA SER 18 HA SER 18 3.783 -2.439 3.854
138 HB2 SER 18 1HB SER 18 3.104 -4.614 3.420
139 HB3 SER 18 2HB SER 18 1.538 -3.814 3.395
140 HG SER 18 HG SER 18 1.483 -3.961 1.254
141 H ILE 19 H ILE 19 2.556 -2.062 0.511
142 HA ILE 19 HA ILE 19 4.810 -2.875 -0.909
143 HB ILE 19 HB ILE 19 2.621 -0.865 -1.339
144 HG12 ILE 19 1HG1 ILE 19 2.342 -2.379 -3.420
145 HG13 ILE 19 2HG1 ILE 19 3.487 -3.444 -2.635
146 HG21 ILE 19 1HG2 ILE 19 3.572 -0.558 -3.700
147 HG22 ILE 19 2HG2 ILE 19 5.098 -1.133 -3.019
148 HG23 ILE 19 3HG2 ILE 19 4.345 0.332 -2.390
149 HD11 ILE 19 3HD1 ILE 19 1.245 -4.165 -2.077
150 HD12 ILE 19 1HD1 ILE 19 0.830 -2.547 -1.523
151 HD13 ILE 19 2HD1 ILE 19 2.007 -3.509 -0.633
152 H GLU 20 H GLU 20 4.158 0.250 0.672
153 HA GLU 20 HA GLU 20 6.416 1.671 -0.252
154 HB2 GLU 20 1HB GLU 20 4.446 2.411 1.318
155 HB3 GLU 20 2HB GLU 20 5.506 1.886 2.621
156 HG2 GLU 20 1HG GLU 20 7.269 3.401 1.829
157 HG3 GLU 20 2HG GLU 20 6.253 3.897 0.475
158 H ARG 21 H ARG 21 6.096 -0.468 2.580
159 HA ARG 21 HA ARG 21 8.800 -0.265 3.455
160 HB2 ARG 21 1HB ARG 21 6.627 -2.333 3.780
161 HB3 ARG 21 2HB ARG 21 8.250 -2.673 4.367
162 HG2 ARG 21 1HG ARG 21 7.032 -1.734 6.210
163 HG3 ARG 21 2HG ARG 21 8.137 -0.481 5.651
164 HD2 ARG 21 1HD ARG 21 6.351 0.615 4.418
165 HD3 ARG 21 2HD ARG 21 5.240 -0.702 4.785
166 HE ARG 21 HE ARG 21 4.961 0.198 6.962
167 HH11 ARG 21 1HH2 ARG 21 7.613 1.605 5.262
168 HH12 ARG 21 2HH2 ARG 21 7.861 2.866 6.423
169 HH21 ARG 21 1HH1 ARG 21 5.270 1.841 8.486
170 HH22 ARG 21 2HH1 ARG 21 6.535 2.999 8.247
171 H LEU 22 H LEU 22 7.225 -2.570 1.225
172 HA LEU 22 HA LEU 22 9.579 -4.098 0.653
173 HB2 LEU 22 1HB LEU 22 7.318 -3.539 -1.282
174 HB3 LEU 22 2HB LEU 22 8.378 -4.933 -1.246
175 HG LEU 22 HG LEU 22 6.154 -4.251 0.613
176 HD11 LEU 22 1HD1 LEU 22 5.477 -6.550 0.134
177 HD12 LEU 22 2HD1 LEU 22 6.957 -6.792 -0.794
178 HD13 LEU 22 3HD1 LEU 22 5.730 -5.664 -1.370
179 HD21 LEU 22 3HD2 LEU 22 8.485 -6.096 1.155
180 HD22 LEU 22 1HD2 LEU 22 6.947 -6.229 2.006
181 HD23 LEU 22 2HD2 LEU 22 7.917 -4.766 2.166
182 H CYS 23 H CYS 23 8.013 -1.570 -1.318
183 HA CYS 23 HA CYS 23 9.916 -1.202 -3.292
184 HB2 CYS 23 1HB CYS 23 8.075 0.670 -1.844
185 HB3 CYS 23 2HB CYS 23 9.242 1.349 -2.974
186 HG CYS 23 HG CYS 23 6.792 -0.326 -3.733
187 H GLN 24 H GLN 24 9.943 0.540 -0.143
188 HA GLN 24 HA GLN 24 12.363 1.891 -0.452
189 HB2 GLN 24 1HB GLN 24 10.992 0.676 1.946
190 HB3 GLN 24 2HB GLN 24 12.536 1.499 2.117
191 HG2 GLN 24 1HG GLN 24 10.179 2.784 0.734
192 HG3 GLN 24 2HG GLN 24 10.453 2.941 2.470
193 HE21 GLN 24 2HE2 GLN 24 13.238 3.218 2.601
194 HE22 GLN 24 1HE2 GLN 24 13.716 4.623 1.776
195 H HIS 25 H HIS 25 11.779 -1.488 -0.129
196 HA HIS 25 HA HIS 25 14.616 -2.087 0.519
197 HB2 HIS 25 1HB HIS 25 12.426 -3.277 1.442
198 HB3 HIS 25 2HB HIS 25 12.533 -4.192 -0.052
199 HD1 HIS 25 HD1 HIS 25 13.651 -6.363 0.438
200 HD2 HIS 25 HD2 HIS 25 15.425 -3.228 2.542
201 HE1 HIS 25 HE1 HIS 25 15.610 -7.362 1.698
202 HE2 HIS 25 HE2 HIS 25 16.697 -5.463 2.981
203 H TYR 26 H TYR 26 12.231 -3.319 -1.811
204 HA TYR 26 HA TYR 26 14.051 -4.482 -3.606
205 HB2 TYR 26 1HB TYR 26 11.279 -3.350 -3.987
206 HB3 TYR 26 2HB TYR 26 12.155 -4.121 -5.307
207 HD1 TYR 26 HD2 TYR 26 10.613 -4.648 -1.991
208 HD2 TYR 26 HD1 TYR 26 12.606 -6.508 -5.310
209 HE1 TYR 26 HE2 TYR 26 9.979 -6.879 -1.119
210 HE2 TYR 26 HE1 TYR 26 11.972 -8.742 -4.436
211 HH TYR 26 HH TYR 26 9.877 -9.544 -2.785
212 H ILE 27 H ILE 27 12.336 -1.403 -4.433
213 HA ILE 27 HA ILE 27 14.538 -0.792 -6.272
214 HB ILE 27 HB ILE 27 12.173 -0.353 -6.904
215 HG12 ILE 27 1HG1 ILE 27 13.868 2.139 -6.738
216 HG13 ILE 27 2HG1 ILE 27 14.094 0.858 -7.918
217 HG21 ILE 27 1HG2 ILE 27 11.347 0.339 -4.719
218 HG22 ILE 27 2HG2 ILE 27 11.028 1.565 -5.942
219 HG23 ILE 27 3HG2 ILE 27 12.338 1.786 -4.801
220 HD11 ILE 27 3HD1 ILE 27 12.756 2.554 -8.972
221 HD12 ILE 27 1HD1 ILE 27 11.666 2.624 -7.588
222 HD13 ILE 27 2HD1 ILE 27 11.696 1.192 -8.617
223 H GLY 28 H GLY 28 13.312 0.468 -3.189
224 HA2 GLY 28 1HA GLY 28 15.116 1.350 -1.656
225 HA3 GLY 28 2HA GLY 28 15.744 2.235 -3.042
226 H TRP 29 H TRP 29 13.253 3.092 -4.101
227 HA TRP 29 HA TRP 29 12.208 4.913 -1.958
228 HB2 TRP 29 1HB TRP 29 12.144 6.713 -3.612
229 HB3 TRP 29 2HB TRP 29 13.780 6.059 -3.537
230 HD1 TRP 29 HD1 TRP 29 14.163 3.934 -5.371
231 HE1 TRP 29 HE1 TRP 29 13.482 3.886 -7.858
232 HE3 TRP 29 HE3 TRP 29 10.707 7.687 -5.414
233 HZ2 TRP 29 HZ2 TRP 29 11.744 5.272 -9.631
234 HZ3 TRP 29 HZ3 TRP 29 9.560 8.312 -7.523
235 HH2 TRP 29 HH2 TRP 29 10.072 7.105 -9.630
236 H CYS 30 H CYS 30 10.164 6.102 -3.377
237 HA CYS 30 HA CYS 30 8.298 3.854 -3.708
238 HB2 CYS 30 1HB CYS 30 6.683 5.852 -4.097
239 HB3 CYS 30 2HB CYS 30 7.369 5.637 -2.489
240 HG CYS 30 HG CYS 30 8.760 7.597 -4.477
241 HA PRO 31 HA PRO 31 9.170 4.305 -8.164
242 HB2 PRO 31 1HB PRO 31 7.919 2.023 -9.031
243 HB3 PRO 31 2HB PRO 31 9.548 2.048 -8.344
244 HG2 PRO 31 1HG PRO 31 7.006 1.172 -7.112
245 HG3 PRO 31 2HG PRO 31 8.662 0.616 -6.815
246 HD2 PRO 31 1HD PRO 31 7.214 2.388 -5.168
247 HD3 PRO 31 2HD PRO 31 8.964 2.127 -5.117
248 H PHE 32 H PHE 32 6.004 3.609 -6.768
249 HA PHE 32 HA PHE 32 4.539 4.466 -9.131
250 HB2 PHE 32 1HB PHE 32 3.773 3.667 -6.323
251 HB3 PHE 32 2HB PHE 32 2.584 4.318 -7.444
252 HD1 PHE 32 HD2 PHE 32 2.144 3.144 -9.624
253 HD2 PHE 32 HD1 PHE 32 4.595 1.430 -6.540
254 HE1 PHE 32 HE2 PHE 32 1.920 0.913 -10.685
255 HE2 PHE 32 HE1 PHE 32 4.370 -0.800 -7.602
256 HZ PHE 32 HZ PHE 32 3.032 -1.059 -9.674
257 H TRP 33 H TRP 33 4.354 5.668 -5.772
258 HA TRP 33 HA TRP 33 3.822 8.391 -6.825
259 HB2 TRP 33 1HB TRP 33 3.484 8.772 -4.246
260 HB3 TRP 33 2HB TRP 33 2.262 7.887 -5.153
261 HD1 TRP 33 HD1 TRP 33 4.980 7.441 -2.549
262 HE1 TRP 33 HE1 TRP 33 4.795 5.072 -1.538
263 HE3 TRP 33 HE3 TRP 33 1.498 5.411 -5.681
264 HZ2 TRP 33 HZ2 TRP 33 3.369 2.650 -1.998
265 HZ3 TRP 33 HZ3 TRP 33 0.746 3.069 -5.375
266 HH2 TRP 33 HH2 TRP 33 1.674 1.686 -3.537
Start of MODEL 2
1 H1 ASN 1 1H ASN 1 -30.009 -3.846 5.930
2 H2 ASN 1 2H ASN 1 -29.118 -5.261 5.628
3 H3 ASN 1 3H ASN 1 -29.795 -4.388 4.337
4 HA ASN 1 HA ASN 1 -28.262 -2.683 4.481
5 HB2 ASN 1 1HB ASN 1 -26.658 -2.757 6.591
6 HB3 ASN 1 2HB ASN 1 -28.262 -2.033 6.728
7 HD21 ASN 1 2HD2 ASN 1 -26.602 -5.199 7.177
8 HD22 ASN 1 1HD2 ASN 1 -27.607 -5.714 8.443
9 H GLU 2 H GLU 2 -25.630 -2.986 5.068
10 HA GLU 2 HA GLU 2 -24.643 -5.659 4.694
11 HB2 GLU 2 1HB GLU 2 -25.664 -4.713 2.367
12 HB3 GLU 2 2HB GLU 2 -24.049 -4.019 2.257
13 HG2 GLU 2 1HG GLU 2 -23.872 -6.141 1.206
14 HG3 GLU 2 2HG GLU 2 -23.180 -6.379 2.810
15 H LEU 3 H LEU 3 -22.231 -5.464 4.034
16 HA LEU 3 HA LEU 3 -20.857 -3.857 5.920
17 HB2 LEU 3 1HB LEU 3 -19.695 -4.856 3.314
18 HB3 LEU 3 2HB LEU 3 -18.838 -4.529 4.820
19 HG LEU 3 HG LEU 3 -20.732 -6.800 4.193
20 HD11 LEU 3 1HD1 LEU 3 -18.829 -8.123 5.066
21 HD12 LEU 3 2HD1 LEU 3 -17.947 -6.625 5.370
22 HD13 LEU 3 3HD1 LEU 3 -18.339 -7.094 3.717
23 HD21 LEU 3 3HD2 LEU 3 -21.518 -6.062 6.339
24 HD22 LEU 3 1HD2 LEU 3 -19.878 -5.744 6.905
25 HD23 LEU 3 2HD2 LEU 3 -20.421 -7.404 6.664
26 H ASP 4 H ASP 4 -19.095 -2.229 5.214
27 HA ASP 4 HA ASP 4 -20.308 -0.008 3.892
28 HB2 ASP 4 1HB ASP 4 -17.502 -0.698 4.689
29 HB3 ASP 4 2HB ASP 4 -17.810 0.738 3.728
30 H VAL 5 H VAL 5 -18.840 0.883 1.857
31 HA VAL 5 HA VAL 5 -18.925 -1.363 -0.102
32 HB VAL 5 HB VAL 5 -19.700 1.513 -0.194
33 HG11 VAL 5 1HG1 VAL 5 -18.787 -0.112 -2.587
34 HG12 VAL 5 2HG1 VAL 5 -18.134 1.442 -2.057
35 HG13 VAL 5 3HG1 VAL 5 -19.773 1.344 -2.713
36 HG21 VAL 5 3HG2 VAL 5 -21.690 0.607 -1.156
37 HG22 VAL 5 1HG2 VAL 5 -21.244 -0.430 0.208
38 HG23 VAL 5 2HG2 VAL 5 -20.909 -0.949 -1.450
39 HA PRO 6 HA PRO 6 -14.894 0.619 -1.336
40 HB2 PRO 6 1HB PRO 6 -14.041 2.979 -0.496
41 HB3 PRO 6 2HB PRO 6 -15.474 2.908 -1.553
42 HG2 PRO 6 1HG PRO 6 -15.364 3.080 1.436
43 HG3 PRO 6 2HG PRO 6 -16.239 4.127 0.295
44 HD2 PRO 6 1HD PRO 6 -17.451 1.997 1.528
45 HD3 PRO 6 2HD PRO 6 -17.887 2.563 -0.090
46 H GLU 7 H GLU 7 -15.594 -0.555 1.373
47 HA GLU 7 HA GLU 7 -13.659 0.126 3.304
48 HB2 GLU 7 1HB GLU 7 -15.635 -1.858 3.035
49 HB3 GLU 7 2HB GLU 7 -14.151 -2.792 3.168
50 HG2 GLU 7 1HG GLU 7 -13.574 -1.476 5.223
51 HG3 GLU 7 2HG GLU 7 -15.146 -0.685 5.106
52 H GLN 8 H GLN 8 -13.354 -1.975 0.455
53 HA GLN 8 HA GLN 8 -10.824 -3.080 0.999
54 HB2 GLN 8 1HB GLN 8 -11.479 -1.985 -1.741
55 HB3 GLN 8 2HB GLN 8 -10.614 -3.465 -1.320
56 HG2 GLN 8 1HG GLN 8 -12.851 -4.213 -0.229
57 HG3 GLN 8 2HG GLN 8 -13.576 -2.912 -1.172
58 HE21 GLN 8 2HE2 GLN 8 -11.829 -6.001 -1.435
59 HE22 GLN 8 1HE2 GLN 8 -12.219 -6.278 -3.064
60 H VAL 9 H VAL 9 -11.653 0.099 -0.328
61 HA VAL 9 HA VAL 9 -9.174 1.218 -0.870
62 HB VAL 9 HB VAL 9 -11.413 2.537 0.682
63 HG11 VAL 9 1HG1 VAL 9 -9.611 3.988 0.849
64 HG12 VAL 9 2HG1 VAL 9 -10.458 4.575 -0.587
65 HG13 VAL 9 3HG1 VAL 9 -9.006 3.587 -0.763
66 HG21 VAL 9 3HG2 VAL 9 -12.358 1.640 -1.314
67 HG22 VAL 9 1HG2 VAL 9 -10.961 2.131 -2.276
68 HG23 VAL 9 2HG2 VAL 9 -12.064 3.351 -1.638
69 H ASP 10 H ASP 10 -10.814 1.803 2.198
70 HA ASP 10 HA ASP 10 -8.678 2.699 3.722
71 HB2 ASP 10 1HB ASP 10 -10.928 2.714 4.560
72 HB3 ASP 10 2HB ASP 10 -11.046 0.953 4.471
73 H LYS 11 H LYS 11 -9.418 -0.621 2.818
74 HA LYS 11 HA LYS 11 -7.322 -1.722 4.546
75 HB2 LYS 11 1HB LYS 11 -8.875 -2.977 2.266
76 HB3 LYS 11 2HB LYS 11 -7.790 -3.845 3.346
77 HG2 LYS 11 1HG LYS 11 -9.203 -3.172 5.267
78 HG3 LYS 11 2HG LYS 11 -10.310 -2.373 4.157
79 HD2 LYS 11 1HD LYS 11 -10.466 -4.649 2.951
80 HD3 LYS 11 2HD LYS 11 -9.710 -5.323 4.396
81 HE2 LYS 11 1HE LYS 11 -11.554 -4.133 5.724
82 HE3 LYS 11 2HE LYS 11 -12.360 -3.896 4.175
83 HZ1 LYS 11 3HZ LYS 11 -12.032 -6.384 3.872
84 HZ2 LYS 11 1HZ LYS 11 -13.217 -5.888 4.979
85 HZ3 LYS 11 2HZ LYS 11 -11.708 -6.433 5.539
86 H LEU 12 H LEU 12 -7.778 -0.911 1.124
87 HA LEU 12 HA LEU 12 -5.315 -1.885 0.141
88 HB2 LEU 12 1HB LEU 12 -7.024 0.419 -0.612
89 HB3 LEU 12 2HB LEU 12 -5.598 0.002 -1.502
90 HG LEU 12 HG LEU 12 -8.220 -1.039 -1.829
91 HD11 LEU 12 1HD1 LEU 12 -7.169 -2.239 -3.692
92 HD12 LEU 12 2HD1 LEU 12 -5.585 -1.942 -2.965
93 HD13 LEU 12 3HD1 LEU 12 -6.551 -0.589 -3.563
94 HD21 LEU 12 3HD2 LEU 12 -8.031 -3.407 -1.639
95 HD22 LEU 12 1HD2 LEU 12 -7.560 -2.777 -0.072
96 HD23 LEU 12 2HD2 LEU 12 -6.332 -3.318 -1.210
97 H ILE 13 H ILE 13 -6.156 1.371 1.272
98 HA ILE 13 HA ILE 13 -3.771 2.699 1.245
99 HB ILE 13 HB ILE 13 -6.068 2.516 3.145
100 HG12 ILE 13 1HG1 ILE 13 -6.206 4.920 2.602
101 HG13 ILE 13 2HG1 ILE 13 -4.760 4.777 1.615
102 HG21 ILE 13 1HG2 ILE 13 -3.444 3.840 3.819
103 HG22 ILE 13 2HG2 ILE 13 -4.422 2.754 4.812
104 HG23 ILE 13 3HG2 ILE 13 -4.978 4.402 4.502
105 HD11 ILE 13 3HD1 ILE 13 -6.745 4.661 0.202
106 HD12 ILE 13 1HD1 ILE 13 -7.396 3.359 1.190
107 HD13 ILE 13 2HD1 ILE 13 -5.950 3.090 0.218
108 H GLN 14 H GLN 14 -4.751 0.392 3.813
109 HA GLN 14 HA GLN 14 -2.359 0.449 5.293
110 HB2 GLN 14 1HB GLN 14 -4.160 -1.931 4.765
111 HB3 GLN 14 2HB GLN 14 -2.993 -1.795 6.055
112 HG2 GLN 14 1HG GLN 14 -4.205 0.235 6.880
113 HG3 GLN 14 2HG GLN 14 -5.446 -0.092 5.674
114 HE21 GLN 14 2HE2 GLN 14 -7.198 -0.964 6.807
115 HE22 GLN 14 1HE2 GLN 14 -7.083 -2.221 7.942
116 H GLN 15 H GLN 15 -3.273 -1.582 2.493
117 HA GLN 15 HA GLN 15 -0.824 -3.012 2.307
118 HB2 GLN 15 1HB GLN 15 -2.466 -2.049 -0.054
119 HB3 GLN 15 2HB GLN 15 -1.384 -3.437 -0.009
120 HG2 GLN 15 1HG GLN 15 -2.856 -4.474 1.721
121 HG3 GLN 15 2HG GLN 15 -3.973 -3.127 1.529
122 HE21 GLN 15 2HE2 GLN 15 -3.640 -2.855 -1.367
123 HE22 GLN 15 1HE2 GLN 15 -4.371 -4.211 -2.080
124 H ALA 16 H ALA 16 -1.834 -0.008 0.678
125 HA ALA 16 HA ALA 16 0.510 0.651 -0.678
126 HB1 ALA 16 3HB ALA 16 -0.160 2.978 -0.499
127 HB2 ALA 16 1HB ALA 16 -1.143 2.634 0.925
128 HB3 ALA 16 2HB ALA 16 -1.621 2.002 -0.651
129 H THR 17 H THR 17 -0.232 1.490 2.752
130 HA THR 17 HA THR 17 2.269 2.669 3.325
131 HB THR 17 HB THR 17 0.108 1.319 4.904
132 HG1 THR 17 HG1 THR 17 0.887 3.556 5.964
133 HG21 THR 17 3HG2 THR 17 2.882 1.907 5.929
134 HG22 THR 17 1HG2 THR 17 1.950 0.421 6.087
135 HG23 THR 17 2HG2 THR 17 1.478 1.856 6.995
136 H SER 18 H SER 18 1.247 -0.737 3.298
137 HA SER 18 HA SER 18 3.709 -1.795 4.329
138 HB2 SER 18 1HB SER 18 2.773 -3.872 3.895
139 HB3 SER 18 2HB SER 18 1.313 -2.892 3.882
140 HG SER 18 HG SER 18 1.354 -2.876 1.680
141 H ILE 19 H ILE 19 2.497 -1.329 0.984
142 HA ILE 19 HA ILE 19 4.639 -2.355 -0.453
143 HB ILE 19 HB ILE 19 2.660 -0.134 -0.847
144 HG12 ILE 19 1HG1 ILE 19 2.225 -1.577 -2.946
145 HG13 ILE 19 2HG1 ILE 19 3.280 -2.753 -2.196
146 HG21 ILE 19 1HG2 ILE 19 3.595 0.154 -3.195
147 HG22 ILE 19 2HG2 ILE 19 5.064 -0.612 -2.585
148 HG23 ILE 19 3HG2 ILE 19 4.504 0.906 -1.885
149 HD11 ILE 19 3HD1 ILE 19 1.832 -2.747 -0.185
150 HD12 ILE 19 1HD1 ILE 19 0.974 -3.266 -1.633
151 HD13 ILE 19 2HD1 ILE 19 0.743 -1.636 -1.012
152 H GLU 20 H GLU 20 4.435 0.617 1.423
153 HA GLU 20 HA GLU 20 6.731 1.944 0.397
154 HB2 GLU 20 1HB GLU 20 4.914 2.718 2.119
155 HB3 GLU 20 2HB GLU 20 5.987 2.014 3.324
156 HG2 GLU 20 1HG GLU 20 6.825 4.101 1.287
157 HG3 GLU 20 2HG GLU 20 6.408 4.441 2.966
158 H ARG 21 H ARG 21 6.416 -0.330 3.130
159 HA ARG 21 HA ARG 21 9.203 -0.387 3.775
160 HB2 ARG 21 1HB ARG 21 6.996 -2.423 4.225
161 HB3 ARG 21 2HB ARG 21 8.613 -2.566 4.895
162 HG2 ARG 21 1HG ARG 21 7.707 -1.452 6.692
163 HG3 ARG 21 2HG ARG 21 7.992 -0.020 5.711
164 HD2 ARG 21 1HD ARG 21 5.737 0.194 6.343
165 HD3 ARG 21 2HD ARG 21 5.629 -0.504 4.729
166 HE ARG 21 HE ARG 21 4.777 -2.485 5.695
167 HH11 ARG 21 1HH2 ARG 21 6.245 -0.407 8.021
168 HH12 ARG 21 2HH2 ARG 21 5.710 -1.334 9.384
169 HH21 ARG 21 1HH1 ARG 21 4.071 -3.708 7.459
170 HH22 ARG 21 2HH1 ARG 21 4.479 -3.202 9.066
171 H LEU 22 H LEU 22 7.226 -2.216 1.489
172 HA LEU 22 HA LEU 22 9.288 -4.141 0.826
173 HB2 LEU 22 1HB LEU 22 6.973 -3.268 -0.912
174 HB3 LEU 22 2HB LEU 22 7.842 -4.786 -0.971
175 HG LEU 22 HG LEU 22 5.974 -3.832 1.147
176 HD11 LEU 22 1HD1 LEU 22 4.985 -4.964 -0.777
177 HD12 LEU 22 2HD1 LEU 22 4.870 -5.993 0.652
178 HD13 LEU 22 3HD1 LEU 22 6.106 -6.308 -0.566
179 HD21 LEU 22 3HD2 LEU 22 8.016 -6.050 1.262
180 HD22 LEU 22 1HD2 LEU 22 6.568 -6.076 2.269
181 HD23 LEU 22 2HD2 LEU 22 7.740 -4.771 2.445
182 H CYS 23 H CYS 23 7.963 -1.393 -1.036
183 HA CYS 23 HA CYS 23 9.730 -1.327 -3.161
184 HB2 CYS 23 1HB CYS 23 8.495 0.918 -1.568
185 HB3 CYS 23 2HB CYS 23 9.484 1.232 -2.991
186 HG CYS 23 HG CYS 23 6.643 0.151 -3.029
187 H GLN 24 H GLN 24 10.353 -0.046 0.113
188 HA GLN 24 HA GLN 24 12.819 1.197 -0.330
189 HB2 GLN 24 1HB GLN 24 11.711 -0.380 1.997
190 HB3 GLN 24 2HB GLN 24 13.314 0.338 2.067
191 HG2 GLN 24 1HG GLN 24 12.426 2.553 1.721
192 HG3 GLN 24 2HG GLN 24 10.821 1.906 1.378
193 HE21 GLN 24 2HE2 GLN 24 10.755 3.696 3.390
194 HE22 GLN 24 1HE2 GLN 24 10.676 2.950 4.912
195 H HIS 25 H HIS 25 12.016 -2.209 -0.273
196 HA HIS 25 HA HIS 25 14.885 -2.985 -0.393
197 HB2 HIS 25 1HB HIS 25 12.930 -4.188 0.938
198 HB3 HIS 25 2HB HIS 25 12.590 -4.935 -0.613
199 HD1 HIS 25 HD1 HIS 25 14.518 -6.409 -1.678
200 HD2 HIS 25 HD2 HIS 25 15.242 -5.159 2.236
201 HE1 HIS 25 HE1 HIS 25 16.438 -7.822 -0.816
202 HE2 HIS 25 HE2 HIS 25 16.886 -7.069 1.565
203 H TYR 26 H TYR 26 11.947 -3.927 -2.144
204 HA TYR 26 HA TYR 26 13.034 -5.025 -4.419
205 HB2 TYR 26 1HB TYR 26 10.576 -3.310 -4.070
206 HB3 TYR 26 2HB TYR 26 10.971 -4.057 -5.614
207 HD1 TYR 26 HD1 TYR 26 10.984 -6.501 -5.876
208 HD2 TYR 26 HD2 TYR 26 9.901 -4.660 -2.150
209 HE1 TYR 26 HE1 TYR 26 10.033 -8.652 -5.089
210 HE2 TYR 26 HE2 TYR 26 8.951 -6.810 -1.362
211 HH TYR 26 HH TYR 26 9.403 -9.348 -1.968
212 H ILE 27 H ILE 27 11.917 -1.592 -4.556
213 HA ILE 27 HA ILE 27 14.014 -1.129 -6.616
214 HB ILE 27 HB ILE 27 11.593 -0.608 -7.091
215 HG12 ILE 27 1HG1 ILE 27 13.417 1.793 -7.123
216 HG13 ILE 27 2HG1 ILE 27 13.535 0.459 -8.257
217 HG21 ILE 27 1HG2 ILE 27 12.009 1.718 -5.265
218 HG22 ILE 27 2HG2 ILE 27 11.208 0.249 -4.738
219 HG23 ILE 27 3HG2 ILE 27 10.527 1.208 -6.050
220 HD11 ILE 27 3HD1 ILE 27 12.208 2.170 -9.310
221 HD12 ILE 27 1HD1 ILE 27 11.186 2.321 -7.881
222 HD13 ILE 27 2HD1 ILE 27 11.123 0.856 -8.860
223 H GLY 28 H GLY 28 12.735 0.310 -3.605
224 HA2 GLY 28 1HA GLY 28 14.587 1.029 -1.999
225 HA3 GLY 28 2HA GLY 28 15.286 1.885 -3.371
226 H TRP 29 H TRP 29 12.987 2.926 -4.511
227 HA TRP 29 HA TRP 29 11.975 4.817 -2.401
228 HB2 TRP 29 1HB TRP 29 11.942 6.552 -4.112
229 HB3 TRP 29 2HB TRP 29 13.550 5.828 -4.089
230 HD1 TRP 29 HD1 TRP 29 13.800 3.674 -5.895
231 HE1 TRP 29 HE1 TRP 29 12.974 3.571 -8.337
232 HE3 TRP 29 HE3 TRP 29 10.394 7.470 -5.839
233 HZ2 TRP 29 HZ2 TRP 29 11.151 4.931 -10.043
234 HZ3 TRP 29 HZ3 TRP 29 9.132 8.055 -7.892
235 HH2 TRP 29 HH2 TRP 29 9.504 6.788 -9.993
236 H CYS 30 H CYS 30 9.847 5.947 -3.540
237 HA CYS 30 HA CYS 30 7.974 3.734 -3.846
238 HB2 CYS 30 1HB CYS 30 6.362 5.736 -4.239
239 HB3 CYS 30 2HB CYS 30 7.100 5.560 -2.650
240 HG CYS 30 HG CYS 30 7.350 8.050 -3.831
241 HA PRO 31 HA PRO 31 8.682 4.039 -8.339
242 HB2 PRO 31 1HB PRO 31 7.355 1.755 -9.094
243 HB3 PRO 31 2HB PRO 31 9.012 1.772 -8.478
244 HG2 PRO 31 1HG PRO 31 6.517 0.952 -7.122
245 HG3 PRO 31 2HG PRO 31 8.182 0.406 -6.863
246 HD2 PRO 31 1HD PRO 31 6.779 2.242 -5.235
247 HD3 PRO 31 2HD PRO 31 8.524 1.952 -5.209
248 H PHE 32 H PHE 32 5.520 3.346 -6.899
249 HA PHE 32 HA PHE 32 4.031 4.206 -9.231
250 HB2 PHE 32 1HB PHE 32 3.325 3.505 -6.383
251 HB3 PHE 32 2HB PHE 32 2.120 4.209 -7.456
252 HD1 PHE 32 HD2 PHE 32 1.475 3.036 -9.565
253 HD2 PHE 32 HD1 PHE 32 4.059 1.232 -6.648
254 HE1 PHE 32 HE2 PHE 32 1.083 0.814 -10.594
255 HE2 PHE 32 HE1 PHE 32 3.668 -0.991 -7.677
256 HZ PHE 32 HZ PHE 32 2.179 -1.200 -9.649
257 H TRP 33 H TRP 33 4.067 5.552 -5.919
258 HA TRP 33 HA TRP 33 3.565 8.249 -7.067
259 HB2 TRP 33 1HB TRP 33 3.318 8.727 -4.482
260 HB3 TRP 33 2HB TRP 33 2.027 7.894 -5.344
261 HD1 TRP 33 HD1 TRP 33 4.789 7.336 -2.802
262 HE1 TRP 33 HE1 TRP 33 4.487 5.007 -1.732
263 HE3 TRP 33 HE3 TRP 33 1.086 5.470 -5.777
264 HZ2 TRP 33 HZ2 TRP 33 2.895 2.672 -2.091
265 HZ3 TRP 33 HZ3 TRP 33 0.197 3.189 -5.395
266 HH2 TRP 33 HH2 TRP 33 1.095 1.787 -3.555
Start of MODEL 3
1 H1 ASN 1 1H ASN 1 -25.882 5.148 4.076
2 H2 ASN 1 2H ASN 1 -24.314 4.605 4.438
3 H3 ASN 1 3H ASN 1 -25.598 4.272 5.499
4 HA ASN 1 HA ASN 1 -26.665 2.962 3.687
5 HB2 ASN 1 1HB ASN 1 -25.011 2.204 1.916
6 HB3 ASN 1 2HB ASN 1 -25.537 3.881 1.771
7 HD21 ASN 1 2HD2 ASN 1 -23.923 5.491 1.856
8 HD22 ASN 1 1HD2 ASN 1 -22.296 5.186 2.225
9 H GLU 2 H GLU 2 -25.335 0.675 3.053
10 HA GLU 2 HA GLU 2 -24.706 -0.411 5.680
11 HB2 GLU 2 1HB GLU 2 -24.228 -2.521 4.318
12 HB3 GLU 2 2HB GLU 2 -25.868 -1.888 4.208
13 HG2 GLU 2 1HG GLU 2 -23.794 -0.993 2.207
14 HG3 GLU 2 2HG GLU 2 -24.581 -2.556 2.005
15 H LEU 3 H LEU 3 -22.673 -1.988 3.572
16 HA LEU 3 HA LEU 3 -20.294 -1.158 4.914
17 HB2 LEU 3 1HB LEU 3 -20.454 -2.366 2.148
18 HB3 LEU 3 2HB LEU 3 -19.095 -2.433 3.269
19 HG LEU 3 HG LEU 3 -21.763 -3.843 3.480
20 HD11 LEU 3 1HD1 LEU 3 -20.263 -5.803 3.754
21 HD12 LEU 3 2HD1 LEU 3 -18.870 -4.732 3.592
22 HD13 LEU 3 3HD1 LEU 3 -19.972 -4.956 2.235
23 HD21 LEU 3 3HD2 LEU 3 -21.453 -3.020 5.706
24 HD22 LEU 3 1HD2 LEU 3 -19.712 -3.295 5.643
25 HD23 LEU 3 2HD2 LEU 3 -20.820 -4.664 5.730
26 H ASP 4 H ASP 4 -18.538 0.125 4.118
27 HA ASP 4 HA ASP 4 -19.308 2.452 2.621
28 HB2 ASP 4 1HB ASP 4 -16.683 1.324 3.534
29 HB3 ASP 4 2HB ASP 4 -16.739 2.748 2.510
30 H VAL 5 H VAL 5 -17.753 2.924 0.587
31 HA VAL 5 HA VAL 5 -18.225 0.618 -1.229
32 HB VAL 5 HB VAL 5 -18.227 3.584 -1.506
33 HG11 VAL 5 1HG1 VAL 5 -17.596 1.656 -3.761
34 HG12 VAL 5 2HG1 VAL 5 -16.605 3.022 -3.236
35 HG13 VAL 5 3HG1 VAL 5 -18.167 3.305 -4.015
36 HG21 VAL 5 3HG2 VAL 5 -20.239 2.123 -1.159
37 HG22 VAL 5 1HG2 VAL 5 -19.935 1.437 -2.761
38 HG23 VAL 5 2HG2 VAL 5 -20.309 3.155 -2.598
39 HA PRO 6 HA PRO 6 -13.722 1.456 -2.213
40 HB2 PRO 6 1HB PRO 6 -12.377 3.565 -1.351
41 HB3 PRO 6 2HB PRO 6 -13.680 3.799 -2.541
42 HG2 PRO 6 1HG PRO 6 -13.788 4.111 0.438
43 HG3 PRO 6 2HG PRO 6 -14.282 5.266 -0.821
44 HD2 PRO 6 1HD PRO 6 -16.065 3.559 0.380
45 HD3 PRO 6 2HD PRO 6 -16.226 4.134 -1.285
46 H GLU 7 H GLU 7 -14.927 0.618 0.438
47 HA GLU 7 HA GLU 7 -13.151 0.856 2.565
48 HB2 GLU 7 1HB GLU 7 -15.453 -0.555 2.140
49 HB3 GLU 7 2HB GLU 7 -14.297 -1.883 2.143
50 HG2 GLU 7 1HG GLU 7 -13.386 -0.879 4.315
51 HG3 GLU 7 2HG GLU 7 -14.826 0.139 4.322
52 H GLN 8 H GLN 8 -12.882 -1.305 -0.241
53 HA GLN 8 HA GLN 8 -10.751 -2.925 0.601
54 HB2 GLN 8 1HB GLN 8 -10.732 -1.669 -2.149
55 HB3 GLN 8 2HB GLN 8 -10.300 -3.317 -1.683
56 HG2 GLN 8 1HG GLN 8 -12.779 -3.556 -0.967
57 HG3 GLN 8 2HG GLN 8 -13.051 -2.092 -1.913
58 HE21 GLN 8 2HE2 GLN 8 -11.963 -5.475 -2.145
59 HE22 GLN 8 1HE2 GLN 8 -12.189 -5.608 -3.823
60 H VAL 9 H VAL 9 -10.676 0.367 -0.677
61 HA VAL 9 HA VAL 9 -7.956 0.924 -0.797
62 HB VAL 9 HB VAL 9 -10.142 2.671 0.361
63 HG11 VAL 9 1HG1 VAL 9 -8.567 4.481 -0.626
64 HG12 VAL 9 2HG1 VAL 9 -7.331 3.224 -0.535
65 HG13 VAL 9 3HG1 VAL 9 -8.167 3.752 0.932
66 HG21 VAL 9 3HG2 VAL 9 -10.805 1.957 -1.818
67 HG22 VAL 9 1HG2 VAL 9 -9.183 2.206 -2.464
68 HG23 VAL 9 2HG2 VAL 9 -10.166 3.594 -1.998
69 H ASP 10 H ASP 10 -9.931 1.882 1.968
70 HA ASP 10 HA ASP 10 -7.947 2.327 3.847
71 HB2 ASP 10 1HB ASP 10 -10.269 2.798 4.302
72 HB3 ASP 10 2HB ASP 10 -10.693 1.087 4.195
73 H LYS 11 H LYS 11 -9.254 -0.779 2.807
74 HA LYS 11 HA LYS 11 -7.743 -2.289 4.800
75 HB2 LYS 11 1HB LYS 11 -9.057 -3.198 2.221
76 HB3 LYS 11 2HB LYS 11 -8.399 -4.265 3.457
77 HG2 LYS 11 1HG LYS 11 -10.008 -3.370 5.088
78 HG3 LYS 11 2HG LYS 11 -10.665 -2.295 3.858
79 HD2 LYS 11 1HD LYS 11 -11.088 -4.406 2.458
80 HD3 LYS 11 2HD LYS 11 -10.772 -5.314 3.939
81 HE2 LYS 11 1HE LYS 11 -12.533 -3.841 5.057
82 HE3 LYS 11 2HE LYS 11 -12.962 -3.296 3.437
83 HZ1 LYS 11 3HZ LYS 11 -13.708 -5.669 4.734
84 HZ2 LYS 11 1HZ LYS 11 -12.780 -6.072 3.373
85 HZ3 LYS 11 2HZ LYS 11 -14.171 -5.111 3.197
86 H LEU 12 H LEU 12 -7.406 -1.418 1.385
87 HA LEU 12 HA LEU 12 -5.045 -2.873 0.823
88 HB2 LEU 12 1HB LEU 12 -6.069 -0.267 -0.177
89 HB3 LEU 12 2HB LEU 12 -4.656 -1.029 -0.822
90 HG LEU 12 HG LEU 12 -7.401 -1.472 -1.523
91 HD11 LEU 12 1HD1 LEU 12 -6.354 -2.850 -3.295
92 HD12 LEU 12 2HD1 LEU 12 -4.827 -2.748 -2.409
93 HD13 LEU 12 3HD1 LEU 12 -5.558 -1.288 -3.080
94 HD21 LEU 12 3HD2 LEU 12 -6.030 -4.066 -0.786
95 HD22 LEU 12 1HD2 LEU 12 -7.641 -3.856 -1.452
96 HD23 LEU 12 2HD2 LEU 12 -7.308 -3.351 0.193
97 H ILE 13 H ILE 13 -5.412 0.524 1.807
98 HA ILE 13 HA ILE 13 -2.864 1.359 2.235
99 HB ILE 13 HB ILE 13 -5.437 1.664 3.717
100 HG12 ILE 13 1HG1 ILE 13 -5.028 4.031 3.168
101 HG13 ILE 13 2HG1 ILE 13 -3.477 3.603 2.461
102 HG21 ILE 13 1HG2 ILE 13 -4.069 1.630 5.637
103 HG22 ILE 13 2HG2 ILE 13 -4.229 3.345 5.246
104 HG23 ILE 13 3HG2 ILE 13 -2.749 2.471 4.817
105 HD11 ILE 13 3HD1 ILE 13 -4.677 2.141 0.841
106 HD12 ILE 13 1HD1 ILE 13 -5.169 3.827 0.711
107 HD13 ILE 13 2HD1 ILE 13 -6.203 2.675 1.541
108 H GLN 14 H GLN 14 -4.683 -0.678 4.548
109 HA GLN 14 HA GLN 14 -2.616 -1.024 6.433
110 HB2 GLN 14 1HB GLN 14 -4.781 -2.982 5.619
111 HB3 GLN 14 2HB GLN 14 -3.828 -3.067 7.082
112 HG2 GLN 14 1HG GLN 14 -4.665 -0.715 7.613
113 HG3 GLN 14 2HG GLN 14 -5.829 -0.967 6.317
114 HE21 GLN 14 2HE2 GLN 14 -7.797 -1.490 7.256
115 HE22 GLN 14 1HE2 GLN 14 -8.003 -2.595 8.528
116 H GLN 15 H GLN 15 -3.440 -3.002 3.560
117 HA GLN 15 HA GLN 15 -1.108 -4.690 3.977
118 HB2 GLN 15 1HB GLN 15 -1.975 -6.025 2.312
119 HB3 GLN 15 2HB GLN 15 -3.437 -5.109 2.653
120 HG2 GLN 15 1HG GLN 15 -2.739 -3.501 0.823
121 HG3 GLN 15 2HG GLN 15 -1.447 -4.623 0.415
122 HE21 GLN 15 2HE2 GLN 15 -3.496 -4.054 -1.468
123 HE22 GLN 15 1HE2 GLN 15 -4.449 -5.444 -1.673
124 H ALA 16 H ALA 16 -1.748 -1.667 2.462
125 HA ALA 16 HA ALA 16 0.464 -1.722 0.577
126 HB1 ALA 16 3HB ALA 16 -0.681 0.813 1.753
127 HB2 ALA 16 1HB ALA 16 -1.645 -0.165 0.645
128 HB3 ALA 16 2HB ALA 16 -0.104 0.509 0.113
129 H THR 17 H THR 17 0.024 -0.525 3.909
130 HA THR 17 HA THR 17 2.391 0.877 4.280
131 HB THR 17 HB THR 17 0.592 -0.769 6.005
132 HG1 THR 17 HG1 THR 17 0.048 1.156 6.620
133 HG21 THR 17 3HG2 THR 17 3.359 0.117 6.814
134 HG22 THR 17 1HG2 THR 17 2.632 -1.480 6.978
135 HG23 THR 17 2HG2 THR 17 2.069 -0.148 7.986
136 H SER 18 H SER 18 1.915 -2.623 4.072
137 HA SER 18 HA SER 18 4.637 -3.237 4.876
138 HB2 SER 18 1HB SER 18 3.953 -5.499 3.724
139 HB3 SER 18 2HB SER 18 3.205 -5.027 5.244
140 HG SER 18 HG SER 18 1.742 -5.705 3.524
141 H ILE 19 H ILE 19 2.899 -3.020 1.760
142 HA ILE 19 HA ILE 19 5.039 -3.723 0.065
143 HB ILE 19 HB ILE 19 2.560 -2.043 -0.159
144 HG12 ILE 19 1HG1 ILE 19 2.248 -3.751 -2.119
145 HG13 ILE 19 2HG1 ILE 19 3.560 -4.616 -1.347
146 HG21 ILE 19 1HG2 ILE 19 3.941 -0.724 -1.513
147 HG22 ILE 19 2HG2 ILE 19 3.107 -1.792 -2.638
148 HG23 ILE 19 3HG2 ILE 19 4.779 -2.126 -2.178
149 HD11 ILE 19 3HD1 ILE 19 0.895 -3.906 -0.143
150 HD12 ILE 19 1HD1 ILE 19 2.245 -4.538 0.800
151 HD13 ILE 19 2HD1 ILE 19 1.525 -5.518 -0.475
152 H GLU 20 H GLU 20 4.218 -0.731 1.729
153 HA GLU 20 HA GLU 20 5.919 1.089 0.428
154 HB2 GLU 20 1HB GLU 20 4.257 1.407 2.428
155 HB3 GLU 20 2HB GLU 20 5.658 1.069 3.438
156 HG2 GLU 20 1HG GLU 20 6.893 2.912 2.371
157 HG3 GLU 20 2HG GLU 20 5.512 3.242 1.324
158 H ARG 21 H ARG 21 6.662 -1.160 3.074
159 HA ARG 21 HA ARG 21 9.396 -0.378 3.353
160 HB2 ARG 21 1HB ARG 21 8.649 -3.240 3.866
161 HB3 ARG 21 2HB ARG 21 9.617 -2.144 4.839
162 HG2 ARG 21 1HG ARG 21 6.606 -2.111 4.567
163 HG3 ARG 21 2HG ARG 21 7.520 -2.625 5.970
164 HD2 ARG 21 1HD ARG 21 7.536 0.178 4.819
165 HD3 ARG 21 2HD ARG 21 6.648 -0.339 6.249
166 HE ARG 21 HE ARG 21 9.534 0.142 6.098
167 HH11 ARG 21 1HH2 ARG 21 6.904 -1.437 7.668
168 HH12 ARG 21 2HH2 ARG 21 7.732 -1.606 9.180
169 HH21 ARG 21 1HH1 ARG 21 10.634 -0.069 8.063
170 HH22 ARG 21 2HH1 ARG 21 9.845 -0.832 9.404
171 H LEU 22 H LEU 22 7.901 -3.042 1.508
172 HA LEU 22 HA LEU 22 10.312 -4.063 0.392
173 HB2 LEU 22 1HB LEU 22 7.626 -4.079 -0.978
174 HB3 LEU 22 2HB LEU 22 8.917 -5.254 -1.117
175 HG LEU 22 HG LEU 22 7.138 -4.768 1.224
176 HD11 LEU 22 1HD1 LEU 22 7.823 -7.206 -0.407
177 HD12 LEU 22 2HD1 LEU 22 6.317 -6.292 -0.498
178 HD13 LEU 22 3HD1 LEU 22 6.717 -7.192 0.966
179 HD21 LEU 22 3HD2 LEU 22 9.271 -5.003 2.263
180 HD22 LEU 22 1HD2 LEU 22 9.776 -6.227 1.097
181 HD23 LEU 22 2HD2 LEU 22 8.562 -6.616 2.316
182 H CYS 23 H CYS 23 7.863 -2.243 -1.469
183 HA CYS 23 HA CYS 23 9.423 -1.651 -3.678
184 HB2 CYS 23 1HB CYS 23 7.780 -0.138 -4.267
185 HB3 CYS 23 2HB CYS 23 6.929 -1.016 -3.007
186 HG CYS 23 HG CYS 23 6.793 1.631 -2.607
187 H GLN 24 H GLN 24 9.273 0.327 -0.682
188 HA GLN 24 HA GLN 24 11.052 2.361 -1.417
189 HB2 GLN 24 1HB GLN 24 10.596 0.928 1.203
190 HB3 GLN 24 2HB GLN 24 11.710 2.277 1.068
191 HG2 GLN 24 1HG GLN 24 8.890 2.543 0.039
192 HG3 GLN 24 2HG GLN 24 9.239 2.765 1.753
193 HE21 GLN 24 2HE2 GLN 24 8.871 5.060 1.771
194 HE22 GLN 24 1HE2 GLN 24 9.873 6.151 0.940
195 H HIS 25 H HIS 25 11.621 -0.999 -0.811
196 HA HIS 25 HA HIS 25 14.564 -0.648 -0.681
197 HB2 HIS 25 1HB HIS 25 12.961 -2.322 0.673
198 HB3 HIS 25 2HB HIS 25 13.217 -3.339 -0.731
199 HD1 HIS 25 HD1 HIS 25 15.058 -4.944 -0.253
200 HD2 HIS 25 HD2 HIS 25 15.839 -1.196 1.405
201 HE1 HIS 25 HE1 HIS 25 17.340 -5.103 0.840
202 HE2 HIS 25 HE2 HIS 25 17.822 -2.827 1.851
203 H TYR 26 H TYR 26 12.283 -2.712 -2.473
204 HA TYR 26 HA TYR 26 14.026 -3.579 -4.487
205 HB2 TYR 26 1HB TYR 26 11.045 -3.125 -4.458
206 HB3 TYR 26 2HB TYR 26 11.858 -3.752 -5.887
207 HD1 TYR 26 HD1 TYR 26 13.261 -5.857 -5.684
208 HD2 TYR 26 HD2 TYR 26 10.602 -4.528 -2.582
209 HE1 TYR 26 HE1 TYR 26 13.304 -8.122 -4.676
210 HE2 TYR 26 HE2 TYR 26 10.645 -6.794 -1.576
211 HH TYR 26 HH TYR 26 12.696 -8.882 -1.839
212 H ILE 27 H ILE 27 11.555 -1.022 -5.177
213 HA ILE 27 HA ILE 27 13.198 -0.137 -7.410
214 HB ILE 27 HB ILE 27 10.729 -0.029 -7.529
215 HG12 ILE 27 1HG1 ILE 27 12.054 2.677 -7.655
216 HG13 ILE 27 2HG1 ILE 27 12.195 1.442 -8.892
217 HG21 ILE 27 1HG2 ILE 27 10.210 0.539 -5.245
218 HG22 ILE 27 2HG2 ILE 27 9.578 1.787 -6.313
219 HG23 ILE 27 3HG2 ILE 27 11.046 2.076 -5.399
220 HD11 ILE 27 3HD1 ILE 27 10.457 2.962 -9.586
221 HD12 ILE 27 1HD1 ILE 27 9.667 2.849 -8.014
222 HD13 ILE 27 2HD1 ILE 27 9.691 1.454 -9.093
223 H GLY 28 H GLY 28 12.594 0.957 -4.123
224 HA2 GLY 28 1HA GLY 28 14.529 2.135 -3.039
225 HA3 GLY 28 2HA GLY 28 14.676 3.089 -4.511
226 H TRP 29 H TRP 29 11.907 3.554 -4.949
227 HA TRP 29 HA TRP 29 11.149 5.233 -2.575
228 HB2 TRP 29 1HB TRP 29 10.381 6.948 -4.160
229 HB3 TRP 29 2HB TRP 29 12.085 6.591 -4.432
230 HD1 TRP 29 HD1 TRP 29 12.451 4.523 -6.341
231 HE1 TRP 29 HE1 TRP 29 11.306 4.325 -8.641
232 HE3 TRP 29 HE3 TRP 29 8.452 7.612 -5.614
233 HZ2 TRP 29 HZ2 TRP 29 9.032 5.352 -10.001
234 HZ3 TRP 29 HZ3 TRP 29 6.816 7.992 -7.440
235 HH2 TRP 29 HH2 TRP 29 7.099 6.864 -9.631
236 H CYS 30 H CYS 30 8.690 6.116 -3.635
237 HA CYS 30 HA CYS 30 7.115 3.623 -3.428
238 HB2 CYS 30 1HB CYS 30 5.207 5.425 -3.444
239 HB3 CYS 30 2HB CYS 30 6.230 5.260 -2.019
240 HG CYS 30 HG CYS 30 6.962 7.398 -4.173
241 HA PRO 31 HA PRO 31 6.885 4.071 -7.969
242 HB2 PRO 31 1HB PRO 31 5.832 1.575 -8.511
243 HB3 PRO 31 2HB PRO 31 7.556 1.910 -8.305
244 HG2 PRO 31 1HG PRO 31 5.675 0.596 -6.456
245 HG3 PRO 31 2HG PRO 31 7.434 0.440 -6.582
246 HD2 PRO 31 1HD PRO 31 6.031 1.940 -4.630
247 HD3 PRO 31 2HD PRO 31 7.767 2.020 -4.957
248 H PHE 32 H PHE 32 4.248 2.737 -6.006
249 HA PHE 32 HA PHE 32 2.192 3.379 -7.936
250 HB2 PHE 32 1HB PHE 32 2.166 2.554 -5.029
251 HB3 PHE 32 2HB PHE 32 0.688 2.914 -5.915
252 HD1 PHE 32 HD1 PHE 32 0.107 1.580 -7.970
253 HD2 PHE 32 HD2 PHE 32 3.348 0.502 -5.363
254 HE1 PHE 32 HE1 PHE 32 0.141 -0.697 -8.952
255 HE2 PHE 32 HE2 PHE 32 3.380 -1.774 -6.347
256 HZ PHE 32 HZ PHE 32 1.777 -2.372 -8.140
257 H TRP 33 H TRP 33 2.666 4.600 -4.613
258 HA TRP 33 HA TRP 33 1.485 7.204 -5.452
259 HB2 TRP 33 1HB TRP 33 1.588 7.498 -2.831
260 HB3 TRP 33 2HB TRP 33 0.340 6.481 -3.546
261 HD1 TRP 33 HD1 TRP 33 3.560 6.323 -1.535
262 HE1 TRP 33 HE1 TRP 33 3.844 3.935 -0.598
263 HE3 TRP 33 HE3 TRP 33 -0.246 3.951 -3.978
264 HZ2 TRP 33 HZ2 TRP 33 2.629 1.372 -0.851
265 HZ3 TRP 33 HZ3 TRP 33 -0.660 1.534 -3.611
266 HH2 TRP 33 HH2 TRP 33 0.771 0.241 -2.053
Start of MODEL 4
1 H1 ASN 1 1H ASN 1 -27.271 -2.805 -0.030
2 H2 ASN 1 2H ASN 1 -27.626 -1.821 1.307
3 H3 ASN 1 3H ASN 1 -27.112 -3.423 1.542
4 HA ASN 1 HA ASN 1 -24.990 -2.740 0.342
5 HB2 ASN 1 1HB ASN 1 -25.914 -0.596 -0.496
6 HB3 ASN 1 2HB ASN 1 -26.091 -0.035 1.166
7 HD21 ASN 1 2HD2 ASN 1 -24.508 1.682 0.054
8 HD22 ASN 1 1HD2 ASN 1 -22.853 1.360 0.246
9 H GLU 2 H GLU 2 -25.617 -4.103 2.588
10 HA GLU 2 HA GLU 2 -25.265 -2.854 5.092
11 HB2 GLU 2 1HB GLU 2 -25.905 -5.218 4.867
12 HB3 GLU 2 2HB GLU 2 -24.314 -5.596 4.208
13 HG2 GLU 2 1HG GLU 2 -23.240 -4.975 6.298
14 HG3 GLU 2 2HG GLU 2 -24.772 -4.404 6.959
15 H LEU 3 H LEU 3 -22.739 -4.459 3.146
16 HA LEU 3 HA LEU 3 -20.545 -3.583 4.727
17 HB2 LEU 3 1HB LEU 3 -20.477 -4.046 1.742
18 HB3 LEU 3 2HB LEU 3 -19.145 -4.202 2.885
19 HG LEU 3 HG LEU 3 -21.535 -6.016 2.520
20 HD11 LEU 3 1HD1 LEU 3 -18.549 -6.464 2.757
21 HD12 LEU 3 2HD1 LEU 3 -19.478 -6.479 1.258
22 HD13 LEU 3 3HD1 LEU 3 -19.749 -7.726 2.475
23 HD21 LEU 3 3HD2 LEU 3 -20.666 -7.221 4.596
24 HD22 LEU 3 1HD2 LEU 3 -21.505 -5.702 4.909
25 HD23 LEU 3 2HD2 LEU 3 -19.743 -5.763 4.956
26 H ASP 4 H ASP 4 -19.038 -1.886 4.365
27 HA ASP 4 HA ASP 4 -20.174 0.602 3.475
28 HB2 ASP 4 1HB ASP 4 -17.437 -0.320 4.269
29 HB3 ASP 4 2HB ASP 4 -17.644 1.275 3.568
30 H VAL 5 H VAL 5 -18.621 1.818 1.720
31 HA VAL 5 HA VAL 5 -18.721 0.016 -0.645
32 HB VAL 5 HB VAL 5 -19.121 2.939 -0.202
33 HG11 VAL 5 1HG1 VAL 5 -18.982 3.280 -2.691
34 HG12 VAL 5 2HG1 VAL 5 -18.245 1.684 -2.823
35 HG13 VAL 5 3HG1 VAL 5 -17.406 2.973 -1.951
36 HG21 VAL 5 3HG2 VAL 5 -20.521 0.980 -2.015
37 HG22 VAL 5 1HG2 VAL 5 -21.126 2.528 -1.414
38 HG23 VAL 5 2HG2 VAL 5 -20.921 1.166 -0.301
39 HA PRO 6 HA PRO 6 -14.332 1.536 -1.060
40 HB2 PRO 6 1HB PRO 6 -13.322 3.605 0.207
41 HB3 PRO 6 2HB PRO 6 -14.624 3.878 -0.979
42 HG2 PRO 6 1HG PRO 6 -14.838 3.637 1.996
43 HG3 PRO 6 2HG PRO 6 -15.451 4.931 0.942
44 HD2 PRO 6 1HD PRO 6 -17.024 2.799 1.736
45 HD3 PRO 6 2HD PRO 6 -17.236 3.673 0.211
46 H GLU 7 H GLU 7 -14.951 -0.430 0.615
47 HA GLU 7 HA GLU 7 -13.596 -0.170 3.190
48 HB2 GLU 7 1HB GLU 7 -15.372 -1.635 3.481
49 HB3 GLU 7 2HB GLU 7 -15.333 -2.165 1.802
50 HG2 GLU 7 1HG GLU 7 -13.566 -3.682 2.205
51 HG3 GLU 7 2HG GLU 7 -13.189 -2.962 3.770
52 H GLN 8 H GLN 8 -13.067 -1.882 0.098
53 HA GLN 8 HA GLN 8 -10.665 -3.183 0.811
54 HB2 GLN 8 1HB GLN 8 -10.985 -1.876 -1.889
55 HB3 GLN 8 2HB GLN 8 -10.265 -3.438 -1.489
56 HG2 GLN 8 1HG GLN 8 -12.698 -4.011 -0.621
57 HG3 GLN 8 2HG GLN 8 -13.170 -2.684 -1.677
58 HE21 GLN 8 2HE2 GLN 8 -12.029 -5.984 -1.585
59 HE22 GLN 8 1HE2 GLN 8 -12.071 -6.258 -3.262
60 H VAL 9 H VAL 9 -11.326 0.131 -0.140
61 HA VAL 9 HA VAL 9 -8.790 1.253 -0.427
62 HB VAL 9 HB VAL 9 -11.136 2.383 1.115
63 HG11 VAL 9 1HG1 VAL 9 -9.345 3.761 1.654
64 HG12 VAL 9 2HG1 VAL 9 -10.065 4.577 0.262
65 HG13 VAL 9 3HG1 VAL 9 -8.609 3.601 0.055
66 HG21 VAL 9 3HG2 VAL 9 -10.494 2.269 -1.819
67 HG22 VAL 9 1HG2 VAL 9 -11.444 3.609 -1.169
68 HG23 VAL 9 2HG2 VAL 9 -12.028 1.954 -0.994
69 H ASP 10 H ASP 10 -10.643 1.471 2.571
70 HA ASP 10 HA ASP 10 -8.626 2.128 4.352
71 HB2 ASP 10 1HB ASP 10 -10.927 2.069 5.038
72 HB3 ASP 10 2HB ASP 10 -11.061 0.343 4.683
73 H LYS 11 H LYS 11 -9.364 -1.051 3.017
74 HA LYS 11 HA LYS 11 -7.408 -2.402 4.712
75 HB2 LYS 11 1HB LYS 11 -8.761 -3.298 2.155
76 HB3 LYS 11 2HB LYS 11 -7.771 -4.323 3.189
77 HG2 LYS 11 1HG LYS 11 -9.415 -3.641 5.079
78 HG3 LYS 11 2HG LYS 11 -10.473 -3.112 3.768
79 HD2 LYS 11 1HD LYS 11 -10.050 -5.472 2.754
80 HD3 LYS 11 2HD LYS 11 -9.470 -5.899 4.364
81 HE2 LYS 11 1HE LYS 11 -11.729 -4.848 5.180
82 HE3 LYS 11 2HE LYS 11 -12.233 -5.088 3.507
83 HZ1 LYS 11 3HZ LYS 11 -12.825 -7.018 4.721
84 HZ2 LYS 11 1HZ LYS 11 -11.282 -7.150 5.412
85 HZ3 LYS 11 2HZ LYS 11 -11.496 -7.437 3.751
86 H LEU 12 H LEU 12 -7.577 -1.150 1.403
87 HA LEU 12 HA LEU 12 -5.054 -2.025 0.478
88 HB2 LEU 12 1HB LEU 12 -6.650 0.423 -0.079
89 HB3 LEU 12 2HB LEU 12 -5.187 0.050 -0.925
90 HG LEU 12 HG LEU 12 -7.851 -0.860 -1.475
91 HD11 LEU 12 1HD1 LEU 12 -5.184 -1.469 -2.720
92 HD12 LEU 12 2HD1 LEU 12 -6.243 -0.115 -3.126
93 HD13 LEU 12 3HD1 LEU 12 -6.743 -1.769 -3.495
94 HD21 LEU 12 3HD2 LEU 12 -7.614 -3.233 -1.718
95 HD22 LEU 12 1HD2 LEU 12 -7.223 -2.872 -0.046
96 HD23 LEU 12 2HD2 LEU 12 -5.937 -3.187 -1.206
97 H ILE 13 H ILE 13 -5.936 1.093 1.931
98 HA ILE 13 HA ILE 13 -3.539 2.339 2.276
99 HB ILE 13 HB ILE 13 -5.987 1.985 3.948
100 HG12 ILE 13 1HG1 ILE 13 -6.039 4.443 3.696
101 HG13 ILE 13 2HG1 ILE 13 -4.526 4.379 2.805
102 HG21 ILE 13 1HG2 ILE 13 -3.403 3.148 4.973
103 HG22 ILE 13 2HG2 ILE 13 -4.479 1.981 5.753
104 HG23 ILE 13 3HG2 ILE 13 -4.975 3.670 5.601
105 HD11 ILE 13 3HD1 ILE 13 -6.405 4.481 1.251
106 HD12 ILE 13 1HD1 ILE 13 -7.147 3.087 2.025
107 HD13 ILE 13 2HD1 ILE 13 -5.636 2.902 1.134
108 H GLN 14 H GLN 14 -4.739 -0.334 4.330
109 HA GLN 14 HA GLN 14 -2.488 -0.476 6.047
110 HB2 GLN 14 1HB GLN 14 -4.219 -2.785 5.127
111 HB3 GLN 14 2HB GLN 14 -3.251 -2.709 6.578
112 HG2 GLN 14 1HG GLN 14 -4.635 -1.051 7.565
113 HG3 GLN 14 2HG GLN 14 -5.447 -0.735 6.038
114 HE21 GLN 14 2HE2 GLN 14 -7.391 -1.244 7.614
115 HE22 GLN 14 1HE2 GLN 14 -7.879 -2.869 7.679
116 H GLN 15 H GLN 15 -3.217 -2.274 3.030
117 HA GLN 15 HA GLN 15 -0.629 -3.543 3.043
118 HB2 GLN 15 1HB GLN 15 -1.339 -4.670 1.158
119 HB3 GLN 15 2HB GLN 15 -2.907 -4.125 1.738
120 HG2 GLN 15 1HG GLN 15 -2.466 -2.035 0.235
121 HG3 GLN 15 2HG GLN 15 -1.253 -3.042 -0.533
122 HE21 GLN 15 2HE2 GLN 15 -3.226 -2.383 -2.238
123 HE22 GLN 15 1HE2 GLN 15 -4.333 -3.652 -2.456
124 H ALA 16 H ALA 16 -1.934 -0.564 1.699
125 HA ALA 16 HA ALA 16 0.237 0.170 -0.000
126 HB1 ALA 16 3HB ALA 16 -2.022 1.384 0.362
127 HB2 ALA 16 1HB ALA 16 -0.595 2.400 0.160
128 HB3 ALA 16 2HB ALA 16 -1.262 2.127 1.770
129 H THR 17 H THR 17 -0.285 0.821 3.506
130 HA THR 17 HA THR 17 2.131 2.169 4.000
131 HB THR 17 HB THR 17 0.252 0.470 5.594
132 HG1 THR 17 HG1 THR 17 1.043 3.074 5.343
133 HG21 THR 17 3HG2 THR 17 1.793 0.968 7.614
134 HG22 THR 17 1HG2 THR 17 3.075 1.118 6.411
135 HG23 THR 17 2HG2 THR 17 2.194 -0.401 6.576
136 H SER 18 H SER 18 1.448 -1.326 3.839
137 HA SER 18 HA SER 18 4.065 -2.223 4.524
138 HB2 SER 18 1HB SER 18 3.304 -4.328 3.908
139 HB3 SER 18 2HB SER 18 1.757 -3.508 4.083
140 HG SER 18 HG SER 18 1.475 -3.633 2.002
141 H ILE 19 H ILE 19 2.578 -1.692 1.292
142 HA ILE 19 HA ILE 19 4.727 -2.276 -0.338
143 HB ILE 19 HB ILE 19 2.455 -0.318 -0.439
144 HG12 ILE 19 1HG1 ILE 19 2.144 -1.622 -2.677
145 HG13 ILE 19 2HG1 ILE 19 3.336 -2.720 -2.024
146 HG21 ILE 19 1HG2 ILE 19 4.088 1.051 -1.452
147 HG22 ILE 19 2HG2 ILE 19 3.206 0.308 -2.784
148 HG23 ILE 19 3HG2 ILE 19 4.796 -0.306 -2.323
149 HD11 ILE 19 3HD1 ILE 19 1.057 -3.475 -1.511
150 HD12 ILE 19 1HD1 ILE 19 0.762 -1.956 -0.673
151 HD13 ILE 19 2HD1 ILE 19 1.953 -3.091 -0.043
152 H GLU 20 H GLU 20 4.248 0.583 1.687
153 HA GLU 20 HA GLU 20 6.289 2.234 0.649
154 HB2 GLU 20 1HB GLU 20 4.539 2.586 2.608
155 HB3 GLU 20 2HB GLU 20 5.864 2.041 3.627
156 HG2 GLU 20 1HG GLU 20 7.290 3.806 2.354
157 HG3 GLU 20 2HG GLU 20 5.739 4.477 1.849
158 H ARG 21 H ARG 21 6.492 -0.343 3.104
159 HA ARG 21 HA ARG 21 9.361 -0.045 3.437
160 HB2 ARG 21 1HB ARG 21 7.444 -2.274 4.202
161 HB3 ARG 21 2HB ARG 21 9.141 -2.235 4.649
162 HG2 ARG 21 1HG ARG 21 8.257 -1.242 6.550
163 HG3 ARG 21 2HG ARG 21 8.477 0.203 5.570
164 HD2 ARG 21 1HD ARG 21 6.138 0.067 4.829
165 HD3 ARG 21 2HD ARG 21 5.913 -1.404 5.769
166 HE ARG 21 HE ARG 21 5.755 -0.070 7.714
167 HH11 ARG 21 1HH2 ARG 21 7.101 1.652 5.046
168 HH12 ARG 21 2HH2 ARG 21 7.093 3.181 5.858
169 HH21 ARG 21 1HH1 ARG 21 5.737 1.919 8.790
170 HH22 ARG 21 2HH1 ARG 21 6.320 3.332 7.978
171 H LEU 22 H LEU 22 7.243 -2.109 1.482
172 HA LEU 22 HA LEU 22 9.318 -3.877 0.549
173 HB2 LEU 22 1HB LEU 22 6.805 -3.122 -0.952
174 HB3 LEU 22 2HB LEU 22 7.732 -4.598 -1.089
175 HG LEU 22 HG LEU 22 5.954 -3.740 1.137
176 HD11 LEU 22 1HD1 LEU 22 6.243 -6.286 -0.447
177 HD12 LEU 22 2HD1 LEU 22 4.985 -5.069 -0.665
178 HD13 LEU 22 3HD1 LEU 22 5.049 -6.017 0.822
179 HD21 LEU 22 3HD2 LEU 22 8.173 -5.789 1.251
180 HD22 LEU 22 1HD2 LEU 22 6.811 -5.796 2.372
181 HD23 LEU 22 2HD2 LEU 22 7.918 -4.424 2.341
182 H CYS 23 H CYS 23 7.674 -1.187 -1.137
183 HA CYS 23 HA CYS 23 9.192 -1.040 -3.442
184 HB2 CYS 23 1HB CYS 23 7.913 1.059 -1.721
185 HB3 CYS 23 2HB CYS 23 8.885 1.565 -3.103
186 HG CYS 23 HG CYS 23 6.134 0.779 -3.442
187 H GLN 24 H GLN 24 10.040 0.645 -0.383
188 HA GLN 24 HA GLN 24 12.490 1.726 -1.187
189 HB2 GLN 24 1HB GLN 24 11.485 0.634 1.441
190 HB3 GLN 24 2HB GLN 24 13.116 1.276 1.302
191 HG2 GLN 24 1HG GLN 24 12.326 3.440 0.681
192 HG3 GLN 24 2HG GLN 24 10.694 2.835 0.397
193 HE21 GLN 24 2HE2 GLN 24 12.340 4.659 2.575
194 HE22 GLN 24 1HE2 GLN 24 11.500 4.266 3.996
195 H HIS 25 H HIS 25 11.625 -1.592 -0.553
196 HA HIS 25 HA HIS 25 14.468 -2.467 -0.659
197 HB2 HIS 25 1HB HIS 25 12.607 -3.377 0.961
198 HB3 HIS 25 2HB HIS 25 12.097 -4.326 -0.424
199 HD1 HIS 25 HD1 HIS 25 13.626 -5.293 2.327
200 HD2 HIS 25 HD2 HIS 25 15.217 -5.017 -1.520
201 HE1 HIS 25 HE1 HIS 25 15.615 -6.864 2.256
202 HE2 HIS 25 HE2 HIS 25 16.590 -6.704 -0.080
203 H TYR 26 H TYR 26 11.465 -3.706 -2.070
204 HA TYR 26 HA TYR 26 12.441 -5.175 -4.172
205 HB2 TYR 26 1HB TYR 26 9.969 -3.476 -3.916
206 HB3 TYR 26 2HB TYR 26 10.282 -4.360 -5.406
207 HD1 TYR 26 HD1 TYR 26 9.993 -4.791 -1.706
208 HD2 TYR 26 HD2 TYR 26 9.806 -6.674 -5.561
209 HE1 TYR 26 HE1 TYR 26 9.145 -6.868 -0.650
210 HE2 TYR 26 HE2 TYR 26 8.957 -8.751 -4.506
211 HH TYR 26 HH TYR 26 9.256 -9.716 -1.849
212 H ILE 27 H ILE 27 11.257 -1.838 -4.899
213 HA ILE 27 HA ILE 27 13.058 -1.833 -7.229
214 HB ILE 27 HB ILE 27 10.722 -0.990 -7.413
215 HG12 ILE 27 1HG1 ILE 27 12.819 1.128 -7.866
216 HG13 ILE 27 2HG1 ILE 27 12.558 -0.253 -8.920
217 HG21 ILE 27 1HG2 ILE 27 10.583 0.013 -5.173
218 HG22 ILE 27 2HG2 ILE 27 10.144 1.147 -6.448
219 HG23 ILE 27 3HG2 ILE 27 11.715 1.255 -5.682
220 HD11 ILE 27 3HD1 ILE 27 10.586 1.954 -8.298
221 HD12 ILE 27 1HD1 ILE 27 10.169 0.481 -9.176
222 HD13 ILE 27 2HD1 ILE 27 11.342 1.610 -9.854
223 H GLY 28 H GLY 28 12.739 -0.133 -4.136
224 HA2 GLY 28 1HA GLY 28 14.960 0.499 -3.098
225 HA3 GLY 28 2HA GLY 28 15.396 1.169 -4.664
226 H TRP 29 H TRP 29 12.963 2.407 -5.308
227 HA TRP 29 HA TRP 29 12.711 4.531 -3.203
228 HB2 TRP 29 1HB TRP 29 12.524 6.162 -5.028
229 HB3 TRP 29 2HB TRP 29 14.033 5.263 -5.178
230 HD1 TRP 29 HD1 TRP 29 13.733 2.937 -6.788
231 HE1 TRP 29 HE1 TRP 29 12.561 2.780 -9.078
232 HE3 TRP 29 HE3 TRP 29 10.912 7.190 -6.640
233 HZ2 TRP 29 HZ2 TRP 29 10.719 4.263 -10.650
234 HZ3 TRP 29 HZ3 TRP 29 9.467 7.800 -8.561
235 HH2 TRP 29 HH2 TRP 29 9.365 6.340 -10.564
236 H CYS 30 H CYS 30 10.651 5.963 -4.489
237 HA CYS 30 HA CYS 30 8.378 4.133 -4.025
238 HB2 CYS 30 1HB CYS 30 7.113 6.385 -4.355
239 HB3 CYS 30 2HB CYS 30 8.089 6.175 -2.904
240 HG CYS 30 HG CYS 30 8.622 8.203 -5.092
241 HA PRO 31 HA PRO 31 8.272 3.988 -8.588
242 HB2 PRO 31 1HB PRO 31 6.548 1.866 -8.854
243 HB3 PRO 31 2HB PRO 31 8.284 1.696 -8.568
244 HG2 PRO 31 1HG PRO 31 6.032 1.322 -6.693
245 HG3 PRO 31 2HG PRO 31 7.643 0.583 -6.694
246 HD2 PRO 31 1HD PRO 31 6.801 2.721 -5.036
247 HD3 PRO 31 2HD PRO 31 8.471 2.190 -5.285
248 H PHE 32 H PHE 32 5.365 3.767 -6.561
249 HA PHE 32 HA PHE 32 3.637 4.823 -8.659
250 HB2 PHE 32 1HB PHE 32 3.243 4.079 -5.760
251 HB3 PHE 32 2HB PHE 32 1.977 4.870 -6.693
252 HD1 PHE 32 HD1 PHE 32 1.143 3.785 -8.823
253 HD2 PHE 32 HD2 PHE 32 3.701 1.756 -6.031
254 HE1 PHE 32 HE1 PHE 32 0.514 1.608 -9.829
255 HE2 PHE 32 HE2 PHE 32 3.072 -0.421 -7.037
256 HZ PHE 32 HZ PHE 32 1.478 -0.496 -8.936
257 H TRP 33 H TRP 33 4.119 5.967 -5.312
258 HA TRP 33 HA TRP 33 3.847 8.762 -6.295
259 HB2 TRP 33 1HB TRP 33 3.788 9.144 -3.700
260 HB3 TRP 33 2HB TRP 33 2.380 8.450 -4.497
261 HD1 TRP 33 HD1 TRP 33 5.259 7.569 -2.177
262 HE1 TRP 33 HE1 TRP 33 4.811 5.250 -1.134
263 HE3 TRP 33 HE3 TRP 33 1.181 6.144 -4.900
264 HZ2 TRP 33 HZ2 TRP 33 2.977 3.093 -1.416
265 HZ3 TRP 33 HZ3 TRP 33 0.107 3.947 -4.496
266 HH2 TRP 33 HH2 TRP 33 0.998 2.417 -2.756
Start of MODEL 5
1 H1 ASN 1 1H ASN 1 -25.716 -0.304 -0.810
2 H2 ASN 1 2H ASN 1 -24.723 -1.208 0.231
3 H3 ASN 1 3H ASN 1 -24.293 0.381 -0.190
4 HA ASN 1 HA ASN 1 -25.720 1.327 1.262
5 HB2 ASN 1 1HB ASN 1 -27.463 -1.142 0.981
6 HB3 ASN 1 2HB ASN 1 -27.886 0.328 1.860
7 HD21 ASN 1 2HD2 ASN 1 -29.618 1.032 0.496
8 HD22 ASN 1 1HD2 ASN 1 -29.394 1.466 -1.130
9 H GLU 2 H GLU 2 -25.382 -2.211 1.645
10 HA GLU 2 HA GLU 2 -25.172 -2.030 4.536
11 HB2 GLU 2 1HB GLU 2 -25.936 -4.071 3.236
12 HB3 GLU 2 2HB GLU 2 -24.251 -4.315 2.775
13 HG2 GLU 2 1HG GLU 2 -24.581 -5.663 4.715
14 HG3 GLU 2 2HG GLU 2 -23.707 -4.236 5.275
15 H LEU 3 H LEU 3 -22.712 -3.452 2.398
16 HA LEU 3 HA LEU 3 -20.540 -2.848 4.133
17 HB2 LEU 3 1HB LEU 3 -20.362 -3.135 1.129
18 HB3 LEU 3 2HB LEU 3 -19.093 -3.439 2.312
19 HG LEU 3 HG LEU 3 -21.564 -5.078 1.734
20 HD11 LEU 3 1HD1 LEU 3 -19.493 -5.598 0.531
21 HD12 LEU 3 2HD1 LEU 3 -19.871 -6.890 1.672
22 HD13 LEU 3 3HD1 LEU 3 -18.618 -5.706 2.058
23 HD21 LEU 3 3HD2 LEU 3 -19.879 -5.084 4.259
24 HD22 LEU 3 1HD2 LEU 3 -20.868 -6.458 3.765
25 HD23 LEU 3 2HD2 LEU 3 -21.631 -4.912 4.137
26 H ASP 4 H ASP 4 -18.790 -1.311 3.762
27 HA ASP 4 HA ASP 4 -19.749 1.326 3.075
28 HB2 ASP 4 1HB ASP 4 -17.154 0.137 3.931
29 HB3 ASP 4 2HB ASP 4 -17.108 1.723 3.181
30 H VAL 5 H VAL 5 -17.994 2.500 1.447
31 HA VAL 5 HA VAL 5 -18.233 0.908 -1.057
32 HB VAL 5 HB VAL 5 -18.486 3.794 -0.363
33 HG11 VAL 5 1HG1 VAL 5 -17.600 2.749 -3.070
34 HG12 VAL 5 2HG1 VAL 5 -16.761 3.943 -2.073
35 HG13 VAL 5 3HG1 VAL 5 -18.310 4.345 -2.824
36 HG21 VAL 5 3HG2 VAL 5 -20.482 3.597 -1.661
37 HG22 VAL 5 1HG2 VAL 5 -20.375 2.159 -0.636
38 HG23 VAL 5 2HG2 VAL 5 -19.952 2.061 -2.350
39 HA PRO 6 HA PRO 6 -13.802 2.352 -1.459
40 HB2 PRO 6 1HB PRO 6 -12.666 4.159 0.104
41 HB3 PRO 6 2HB PRO 6 -13.963 4.670 -1.003
42 HG2 PRO 6 1HG PRO 6 -14.157 3.959 1.901
43 HG3 PRO 6 2HG PRO 6 -14.713 5.436 1.078
44 HD2 PRO 6 1HD PRO 6 -16.388 3.321 1.546
45 HD3 PRO 6 2HD PRO 6 -16.541 4.394 0.149
46 H GLU 7 H GLU 7 -14.968 0.595 0.726
47 HA GLU 7 HA GLU 7 -13.196 0.312 2.878
48 HB2 GLU 7 1HB GLU 7 -15.374 -1.141 1.866
49 HB3 GLU 7 2HB GLU 7 -14.059 -2.309 1.810
50 HG2 GLU 7 1HG GLU 7 -15.026 -0.750 4.221
51 HG3 GLU 7 2HG GLU 7 -15.134 -2.491 3.969
52 H GLN 8 H GLN 8 -12.769 -0.750 -0.473
53 HA GLN 8 HA GLN 8 -10.534 -2.441 -0.177
54 HB2 GLN 8 1HB GLN 8 -10.692 -0.291 -2.293
55 HB3 GLN 8 2HB GLN 8 -9.933 -1.881 -2.411
56 HG2 GLN 8 1HG GLN 8 -12.886 -1.281 -2.187
57 HG3 GLN 8 2HG GLN 8 -12.039 -1.979 -3.557
58 HE21 GLN 8 2HE2 GLN 8 -12.780 -2.668 -0.110
59 HE22 GLN 8 1HE2 GLN 8 -12.762 -4.355 -0.289
60 H VAL 9 H VAL 9 -10.686 1.075 -0.344
61 HA VAL 9 HA VAL 9 -8.043 1.865 -0.140
62 HB VAL 9 HB VAL 9 -10.368 2.916 1.489
63 HG11 VAL 9 1HG1 VAL 9 -7.612 3.967 0.936
64 HG12 VAL 9 2HG1 VAL 9 -8.497 3.879 2.465
65 HG13 VAL 9 3HG1 VAL 9 -8.952 5.075 1.247
66 HG21 VAL 9 3HG2 VAL 9 -10.961 2.958 -0.822
67 HG22 VAL 9 1HG2 VAL 9 -9.363 3.544 -1.288
68 HG23 VAL 9 2HG2 VAL 9 -10.464 4.600 -0.402
69 H ASP 10 H ASP 10 -10.087 1.625 2.731
70 HA ASP 10 HA ASP 10 -8.132 1.567 4.695
71 HB2 ASP 10 1HB ASP 10 -10.481 1.637 5.241
72 HB3 ASP 10 2HB ASP 10 -10.749 0.044 4.528
73 H LYS 11 H LYS 11 -9.184 -1.110 2.644
74 HA LYS 11 HA LYS 11 -7.501 -3.064 4.013
75 HB2 LYS 11 1HB LYS 11 -8.739 -3.164 1.247
76 HB3 LYS 11 2HB LYS 11 -7.988 -4.519 2.080
77 HG2 LYS 11 1HG LYS 11 -9.676 -4.357 3.864
78 HG3 LYS 11 2HG LYS 11 -10.430 -3.002 3.027
79 HD2 LYS 11 1HD LYS 11 -10.676 -4.533 1.011
80 HD3 LYS 11 2HD LYS 11 -10.200 -5.864 2.067
81 HE2 LYS 11 1HE LYS 11 -12.099 -5.030 3.626
82 HE3 LYS 11 2HE LYS 11 -12.665 -4.140 2.211
83 HZ1 LYS 11 3HZ LYS 11 -13.353 -6.649 2.734
84 HZ2 LYS 11 1HZ LYS 11 -11.985 -6.926 1.772
85 HZ3 LYS 11 2HZ LYS 11 -13.280 -6.011 1.161
86 H LEU 12 H LEU 12 -7.291 -1.064 1.109
87 HA LEU 12 HA LEU 12 -4.820 -1.996 0.112
88 HB2 LEU 12 1HB LEU 12 -6.053 0.708 0.105
89 HB3 LEU 12 2HB LEU 12 -4.608 0.326 -0.762
90 HG LEU 12 HG LEU 12 -7.348 -0.062 -1.565
91 HD11 LEU 12 1HD1 LEU 12 -6.267 -0.556 -3.732
92 HD12 LEU 12 2HD1 LEU 12 -4.717 -0.649 -2.889
93 HD13 LEU 12 3HD1 LEU 12 -5.599 0.879 -2.949
94 HD21 LEU 12 3HD2 LEU 12 -5.702 -2.588 -1.848
95 HD22 LEU 12 1HD2 LEU 12 -7.345 -2.315 -2.410
96 HD23 LEU 12 2HD2 LEU 12 -7.022 -2.425 -0.691
97 H ILE 13 H ILE 13 -5.474 0.741 2.256
98 HA ILE 13 HA ILE 13 -2.975 1.555 2.986
99 HB ILE 13 HB ILE 13 -5.586 1.219 4.391
100 HG12 ILE 13 1HG1 ILE 13 -5.298 3.659 4.672
101 HG13 ILE 13 2HG1 ILE 13 -3.736 3.562 3.876
102 HG21 ILE 13 1HG2 ILE 13 -4.510 2.374 6.423
103 HG22 ILE 13 2HG2 ILE 13 -2.971 1.774 5.785
104 HG23 ILE 13 3HG2 ILE 13 -4.247 0.636 6.243
105 HD11 ILE 13 3HD1 ILE 13 -4.883 2.638 1.864
106 HD12 ILE 13 1HD1 ILE 13 -5.441 4.256 2.277
107 HD13 ILE 13 2HD1 ILE 13 -6.424 2.857 2.689
108 H GLN 14 H GLN 14 -4.693 -1.216 4.488
109 HA GLN 14 HA GLN 14 -2.733 -1.989 6.301
110 HB2 GLN 14 1HB GLN 14 -4.576 -3.747 4.672
111 HB3 GLN 14 2HB GLN 14 -3.650 -4.282 6.062
112 HG2 GLN 14 1HG GLN 14 -4.759 -2.438 7.395
113 HG3 GLN 14 2HG GLN 14 -5.833 -2.218 6.019
114 HE21 GLN 14 2HE2 GLN 14 -7.739 -2.991 7.105
115 HE22 GLN 14 1HE2 GLN 14 -7.923 -4.617 7.556
116 H GLN 15 H GLN 15 -3.025 -2.995 2.892
117 HA GLN 15 HA GLN 15 -0.440 -4.382 3.083
118 HB2 GLN 15 1HB GLN 15 -0.722 -4.647 0.573
119 HB3 GLN 15 2HB GLN 15 -1.988 -5.377 1.559
120 HG2 GLN 15 1HG GLN 15 -3.425 -3.438 1.194
121 HG3 GLN 15 2HG GLN 15 -2.159 -2.655 0.247
122 HE21 GLN 15 2HE2 GLN 15 -3.449 -2.669 -1.728
123 HE22 GLN 15 1HE2 GLN 15 -3.770 -4.110 -2.565
124 H ALA 16 H ALA 16 -1.694 -1.356 1.790
125 HA ALA 16 HA ALA 16 0.511 -0.421 0.340
126 HB1 ALA 16 3HB ALA 16 -1.847 0.671 1.032
127 HB2 ALA 16 1HB ALA 16 -0.499 1.662 0.477
128 HB3 ALA 16 2HB ALA 16 -0.833 1.510 2.204
129 H THR 17 H THR 17 -0.035 -0.117 3.885
130 HA THR 17 HA THR 17 2.278 1.294 4.545
131 HB THR 17 HB THR 17 0.562 -0.739 5.934
132 HG1 THR 17 HG1 THR 17 -0.275 1.081 6.485
133 HG21 THR 17 3HG2 THR 17 1.981 -0.216 8.016
134 HG22 THR 17 1HG2 THR 17 3.243 0.251 6.876
135 HG23 THR 17 2HG2 THR 17 2.616 -1.395 6.869
136 H SER 18 H SER 18 1.868 -2.221 4.073
137 HA SER 18 HA SER 18 4.579 -2.899 4.690
138 HB2 SER 18 1HB SER 18 4.004 -5.041 4.019
139 HB3 SER 18 2HB SER 18 2.394 -4.380 4.272
140 HG SER 18 HG SER 18 2.054 -4.613 2.224
141 H ILE 19 H ILE 19 2.951 -2.251 1.557
142 HA ILE 19 HA ILE 19 5.120 -2.602 -0.160
143 HB ILE 19 HB ILE 19 2.709 -0.805 -0.131
144 HG12 ILE 19 1HG1 ILE 19 2.356 -2.112 -2.347
145 HG13 ILE 19 2HG1 ILE 19 3.649 -3.147 -1.780
146 HG21 ILE 19 1HG2 ILE 19 5.012 -0.651 -2.052
147 HG22 ILE 19 2HG2 ILE 19 4.190 0.659 -1.204
148 HG23 ILE 19 3HG2 ILE 19 3.380 -0.172 -2.530
149 HD11 ILE 19 3HD1 ILE 19 1.065 -2.581 -0.324
150 HD12 ILE 19 1HD1 ILE 19 2.381 -3.571 0.300
151 HD13 ILE 19 2HD1 ILE 19 1.497 -4.085 -1.131
152 H GLU 20 H GLU 20 4.374 0.067 2.026
153 HA GLU 20 HA GLU 20 6.179 1.997 1.065
154 HB2 GLU 20 1HB GLU 20 4.437 2.023 3.053
155 HB3 GLU 20 2HB GLU 20 5.829 1.585 4.028
156 HG2 GLU 20 1HG GLU 20 5.852 3.967 2.151
157 HG3 GLU 20 2HG GLU 20 5.350 4.085 3.832
158 H ARG 21 H ARG 21 6.758 -0.681 3.338
159 HA ARG 21 HA ARG 21 9.566 -0.032 3.675
160 HB2 ARG 21 1HB ARG 21 8.010 -2.573 4.256
161 HB3 ARG 21 2HB ARG 21 9.681 -2.300 4.712
162 HG2 ARG 21 1HG ARG 21 8.538 -1.696 6.667
163 HG3 ARG 21 2HG ARG 21 8.807 -0.145 5.883
164 HD2 ARG 21 1HD ARG 21 6.563 0.228 5.774
165 HD3 ARG 21 2HD ARG 21 6.284 -1.316 4.975
166 HE ARG 21 HE ARG 21 5.934 -0.774 7.808
167 HH11 ARG 21 1HH2 ARG 21 6.719 -3.110 5.396
168 HH12 ARG 21 2HH2 ARG 21 6.202 -4.462 6.349
169 HH21 ARG 21 1HH1 ARG 21 5.255 -2.526 9.064
170 HH22 ARG 21 2HH1 ARG 21 5.373 -4.131 8.424
171 H LEU 22 H LEU 22 7.751 -2.377 1.695
172 HA LEU 22 HA LEU 22 10.034 -3.692 0.578
173 HB2 LEU 22 1HB LEU 22 7.383 -3.248 -0.813
174 HB3 LEU 22 2HB LEU 22 8.523 -4.553 -1.072
175 HG LEU 22 HG LEU 22 6.702 -4.120 1.241
176 HD11 LEU 22 1HD1 LEU 22 7.365 -6.506 -0.471
177 HD12 LEU 22 2HD1 LEU 22 5.929 -5.496 -0.627
178 HD13 LEU 22 3HD1 LEU 22 6.159 -6.485 0.815
179 HD21 LEU 22 3HD2 LEU 22 8.787 -4.532 2.370
180 HD22 LEU 22 1HD2 LEU 22 9.224 -5.784 1.207
181 HD23 LEU 22 2HD2 LEU 22 7.913 -6.063 2.351
182 H CYS 23 H CYS 23 7.926 -1.281 -0.996
183 HA CYS 23 HA CYS 23 9.365 -0.764 -3.288
184 HB2 CYS 23 1HB CYS 23 8.475 1.531 -3.194
185 HB3 CYS 23 2HB CYS 23 7.247 0.360 -2.732
186 HG CYS 23 HG CYS 23 8.019 2.600 -1.018
187 H GLN 24 H GLN 24 9.917 0.992 -0.202
188 HA GLN 24 HA GLN 24 12.120 2.508 -1.036
189 HB2 GLN 24 1HB GLN 24 11.290 1.352 1.623
190 HB3 GLN 24 2HB GLN 24 12.774 2.284 1.477
191 HG2 GLN 24 1HG GLN 24 11.558 4.210 0.642
192 HG3 GLN 24 2HG GLN 24 10.060 3.280 0.581
193 HE21 GLN 24 2HE2 GLN 24 11.819 2.311 3.302
194 HE22 GLN 24 1HE2 GLN 24 11.060 3.296 4.457
195 H HIS 25 H HIS 25 11.926 -0.891 -0.275
196 HA HIS 25 HA HIS 25 14.884 -1.163 -0.255
197 HB2 HIS 25 1HB HIS 25 13.081 -2.398 1.267
198 HB3 HIS 25 2HB HIS 25 12.984 -3.498 -0.095
199 HD1 HIS 25 HD1 HIS 25 14.380 -5.483 0.503
200 HD2 HIS 25 HD2 HIS 25 16.260 -1.911 1.557
201 HE1 HIS 25 HE1 HIS 25 16.673 -6.111 1.381
202 HE2 HIS 25 HE2 HIS 25 17.825 -3.944 2.025
203 H TYR 26 H TYR 26 12.235 -2.952 -1.798
204 HA TYR 26 HA TYR 26 13.674 -4.219 -3.806
205 HB2 TYR 26 1HB TYR 26 10.832 -3.230 -3.665
206 HB3 TYR 26 2HB TYR 26 11.422 -4.031 -5.119
207 HD1 TYR 26 HD2 TYR 26 11.060 -4.443 -1.428
208 HD2 TYR 26 HD1 TYR 26 11.645 -6.392 -5.212
209 HE1 TYR 26 HE2 TYR 26 10.757 -6.651 -0.339
210 HE2 TYR 26 HE1 TYR 26 11.341 -8.598 -4.123
211 HH TYR 26 HH TYR 26 11.621 -9.152 -0.989
212 H ILE 27 H ILE 27 11.725 -1.269 -4.562
213 HA ILE 27 HA ILE 27 13.562 -0.794 -6.847
214 HB ILE 27 HB ILE 27 11.048 -0.910 -7.111
215 HG12 ILE 27 1HG1 ILE 27 12.241 1.753 -7.870
216 HG13 ILE 27 2HG1 ILE 27 12.608 0.252 -8.710
217 HG21 ILE 27 1HG2 ILE 27 10.653 0.359 -4.964
218 HG22 ILE 27 2HG2 ILE 27 9.699 0.873 -6.353
219 HG23 ILE 27 3HG2 ILE 27 11.096 1.798 -5.860
220 HD11 ILE 27 3HD1 ILE 27 9.881 1.532 -8.418
221 HD12 ILE 27 1HD1 ILE 27 10.157 -0.064 -9.113
222 HD13 ILE 27 2HD1 ILE 27 10.816 1.366 -9.905
223 H GLY 28 H GLY 28 12.203 0.931 -4.033
224 HA2 GLY 28 1HA GLY 28 13.929 2.359 -2.805
225 HA3 GLY 28 2HA GLY 28 14.322 3.035 -4.388
226 H TRP 29 H TRP 29 11.814 3.308 -5.485
227 HA TRP 29 HA TRP 29 10.504 5.338 -3.692
228 HB2 TRP 29 1HB TRP 29 9.843 6.527 -5.709
229 HB3 TRP 29 2HB TRP 29 11.581 6.240 -5.777
230 HD1 TRP 29 HD1 TRP 29 12.310 3.959 -7.193
231 HE1 TRP 29 HE1 TRP 29 11.308 3.068 -9.400
232 HE3 TRP 29 HE3 TRP 29 7.838 6.415 -7.198
233 HZ2 TRP 29 HZ2 TRP 29 8.945 3.359 -10.956
234 HZ3 TRP 29 HZ3 TRP 29 6.229 6.091 -9.056
235 HH2 TRP 29 HH2 TRP 29 6.774 4.565 -10.934
236 H CYS 30 H CYS 30 8.053 5.575 -4.389
237 HA CYS 30 HA CYS 30 6.865 2.929 -4.115
238 HB2 CYS 30 1HB CYS 30 4.713 4.501 -4.443
239 HB3 CYS 30 2HB CYS 30 5.619 4.473 -2.930
240 HG CYS 30 HG CYS 30 5.244 6.949 -4.247
241 HA PRO 31 HA PRO 31 6.852 2.428 -8.675
242 HB2 PRO 31 1HB PRO 31 4.969 0.191 -8.037
243 HB3 PRO 31 2HB PRO 31 6.439 0.179 -9.029
244 HG2 PRO 31 1HG PRO 31 6.358 -0.901 -6.571
245 HG3 PRO 31 2HG PRO 31 7.813 -0.129 -7.222
246 HD2 PRO 31 1HD PRO 31 5.910 0.888 -5.153
247 HD3 PRO 31 2HD PRO 31 7.644 1.194 -5.344
248 H PHE 32 H PHE 32 3.979 2.298 -6.615
249 HA PHE 32 HA PHE 32 2.143 2.944 -8.776
250 HB2 PHE 32 1HB PHE 32 1.880 2.589 -5.790
251 HB3 PHE 32 2HB PHE 32 0.526 3.099 -6.788
252 HD1 PHE 32 HD2 PHE 32 -0.162 1.621 -8.764
253 HD2 PHE 32 HD1 PHE 32 2.509 0.309 -5.666
254 HE1 PHE 32 HE2 PHE 32 -0.578 -0.739 -9.404
255 HE2 PHE 32 HE1 PHE 32 2.094 -2.050 -6.307
256 HZ PHE 32 HZ PHE 32 0.551 -2.573 -8.176
257 H TRP 33 H TRP 33 2.565 4.557 -5.623
258 HA TRP 33 HA TRP 33 1.957 7.151 -6.925
259 HB2 TRP 33 1HB TRP 33 2.096 7.875 -4.399
260 HB3 TRP 33 2HB TRP 33 0.702 6.959 -4.962
261 HD1 TRP 33 HD1 TRP 33 3.790 6.698 -2.792
262 HE1 TRP 33 HE1 TRP 33 3.702 4.490 -1.451
263 HE3 TRP 33 HE3 TRP 33 -0.215 4.467 -5.035
264 HZ2 TRP 33 HZ2 TRP 33 2.144 2.107 -1.353
265 HZ3 TRP 33 HZ3 TRP 33 -0.980 2.227 -4.300
266 HH2 TRP 33 HH2 TRP 33 0.192 1.043 -2.462
Start of MODEL 6
1 H1 ASN 1 1H ASN 1 -24.917 -4.866 3.444
2 H2 ASN 1 2H ASN 1 -24.603 -4.510 1.812
3 H3 ASN 1 3H ASN 1 -26.077 -5.226 2.260
4 HA ASN 1 HA ASN 1 -25.709 -2.589 1.864
5 HB2 ASN 1 1HB ASN 1 -27.694 -3.842 3.784
6 HB3 ASN 1 2HB ASN 1 -27.907 -2.350 2.867
7 HD21 ASN 1 2HD2 ASN 1 -28.510 -5.702 2.789
8 HD22 ASN 1 1HD2 ASN 1 -28.857 -5.845 1.134
9 H GLU 2 H GLU 2 -26.067 -3.999 5.147
10 HA GLU 2 HA GLU 2 -25.541 -1.638 6.587
11 HB2 GLU 2 1HB GLU 2 -26.335 -3.655 7.702
12 HB3 GLU 2 2HB GLU 2 -24.840 -4.501 7.299
13 HG2 GLU 2 1HG GLU 2 -23.545 -3.085 8.728
14 HG3 GLU 2 2HG GLU 2 -24.884 -1.954 8.931
15 H LEU 3 H LEU 3 -23.272 -3.989 5.215
16 HA LEU 3 HA LEU 3 -20.857 -3.097 6.333
17 HB2 LEU 3 1HB LEU 3 -21.279 -3.835 3.433
18 HB3 LEU 3 2HB LEU 3 -19.757 -3.878 4.317
19 HG LEU 3 HG LEU 3 -22.188 -5.633 4.761
20 HD11 LEU 3 1HD1 LEU 3 -20.430 -7.403 4.361
21 HD12 LEU 3 2HD1 LEU 3 -19.318 -6.104 3.928
22 HD13 LEU 3 3HD1 LEU 3 -20.772 -6.380 2.966
23 HD21 LEU 3 3HD2 LEU 3 -19.750 -5.148 6.486
24 HD22 LEU 3 1HD2 LEU 3 -20.573 -6.709 6.511
25 HD23 LEU 3 2HD2 LEU 3 -21.442 -5.250 6.978
26 H ASP 4 H ASP 4 -19.391 -1.438 5.797
27 HA ASP 4 HA ASP 4 -20.475 1.000 4.783
28 HB2 ASP 4 1HB ASP 4 -17.735 -0.028 5.372
29 HB3 ASP 4 2HB ASP 4 -17.871 1.453 4.443
30 H VAL 5 H VAL 5 -19.000 1.956 2.756
31 HA VAL 5 HA VAL 5 -19.547 0.009 0.566
32 HB VAL 5 HB VAL 5 -19.786 2.970 0.844
33 HG11 VAL 5 1HG1 VAL 5 -19.979 3.133 -1.663
34 HG12 VAL 5 2HG1 VAL 5 -19.301 1.510 -1.772
35 HG13 VAL 5 3HG1 VAL 5 -18.327 2.830 -1.112
36 HG21 VAL 5 3HG2 VAL 5 -21.646 1.312 1.124
37 HG22 VAL 5 1HG2 VAL 5 -21.471 0.921 -0.592
38 HG23 VAL 5 2HG2 VAL 5 -21.942 2.552 -0.107
39 HA PRO 6 HA PRO 6 -15.229 1.344 -0.602
40 HB2 PRO 6 1HB PRO 6 -13.970 3.430 0.394
41 HB3 PRO 6 2HB PRO 6 -15.426 3.695 -0.599
42 HG2 PRO 6 1HG PRO 6 -15.207 3.599 2.384
43 HG3 PRO 6 2HG PRO 6 -15.921 4.870 1.367
44 HD2 PRO 6 1HD PRO 6 -17.439 2.856 2.483
45 HD3 PRO 6 2HD PRO 6 -17.831 3.653 0.952
46 H GLU 7 H GLU 7 -15.879 -0.321 1.602
47 HA GLU 7 HA GLU 7 -13.988 0.002 3.737
48 HB2 GLU 7 1HB GLU 7 -16.241 -1.550 3.309
49 HB3 GLU 7 2HB GLU 7 -14.969 -2.759 3.180
50 HG2 GLU 7 1HG GLU 7 -14.053 -1.785 5.372
51 HG3 GLU 7 2HG GLU 7 -15.587 -0.931 5.497
52 H GLN 8 H GLN 8 -13.968 -1.879 0.709
53 HA GLN 8 HA GLN 8 -11.578 -3.319 1.152
54 HB2 GLN 8 1HB GLN 8 -12.182 -2.017 -1.514
55 HB3 GLN 8 2HB GLN 8 -11.451 -3.592 -1.199
56 HG2 GLN 8 1HG GLN 8 -13.683 -4.236 -0.110
57 HG3 GLN 8 2HG GLN 8 -14.341 -2.778 -0.854
58 HE21 GLN 8 2HE2 GLN 8 -12.875 -5.940 -1.582
59 HE22 GLN 8 1HE2 GLN 8 -13.391 -5.996 -3.198
60 H VAL 9 H VAL 9 -12.094 -0.019 -0.006
61 HA VAL 9 HA VAL 9 -9.559 0.905 -0.595
62 HB VAL 9 HB VAL 9 -11.573 2.318 1.160
63 HG11 VAL 9 1HG1 VAL 9 -9.681 3.619 1.304
64 HG12 VAL 9 2HG1 VAL 9 -10.508 4.334 -0.084
65 HG13 VAL 9 3HG1 VAL 9 -9.156 3.229 -0.339
66 HG21 VAL 9 3HG2 VAL 9 -12.805 1.751 -0.744
67 HG22 VAL 9 1HG2 VAL 9 -11.413 1.938 -1.816
68 HG23 VAL 9 2HG2 VAL 9 -12.197 3.363 -1.130
69 H ASP 10 H ASP 10 -10.993 1.426 2.579
70 HA ASP 10 HA ASP 10 -8.768 2.066 4.070
71 HB2 ASP 10 1HB ASP 10 -10.987 2.141 4.981
72 HB3 ASP 10 2HB ASP 10 -11.204 0.397 4.774
73 H LYS 11 H LYS 11 -9.739 -1.138 2.986
74 HA LYS 11 HA LYS 11 -7.625 -2.455 4.538
75 HB2 LYS 11 1HB LYS 11 -9.267 -3.522 2.229
76 HB3 LYS 11 2HB LYS 11 -8.265 -4.477 3.313
77 HG2 LYS 11 1HG LYS 11 -9.681 -3.893 5.200
78 HG3 LYS 11 2HG LYS 11 -10.642 -2.830 4.175
79 HD2 LYS 11 1HD LYS 11 -11.009 -4.958 2.697
80 HD3 LYS 11 2HD LYS 11 -10.458 -5.840 4.117
81 HE2 LYS 11 1HE LYS 11 -12.948 -5.561 3.931
82 HE3 LYS 11 2HE LYS 11 -12.252 -4.984 5.441
83 HZ1 LYS 11 3HZ LYS 11 -13.886 -3.459 4.413
84 HZ2 LYS 11 1HZ LYS 11 -12.825 -3.254 3.108
85 HZ3 LYS 11 2HZ LYS 11 -12.361 -2.756 4.664
86 H LEU 12 H LEU 12 -8.213 -1.418 1.193
87 HA LEU 12 HA LEU 12 -5.852 -2.450 0.040
88 HB2 LEU 12 1HB LEU 12 -7.461 -0.017 -0.499
89 HB3 LEU 12 2HB LEU 12 -6.099 -0.453 -1.474
90 HG LEU 12 HG LEU 12 -8.780 -1.319 -1.763
91 HD11 LEU 12 1HD1 LEU 12 -6.236 -2.333 -3.015
92 HD12 LEU 12 2HD1 LEU 12 -7.141 -0.904 -3.529
93 HD13 LEU 12 3HD1 LEU 12 -7.854 -2.510 -3.705
94 HD21 LEU 12 3HD2 LEU 12 -8.198 -3.172 -0.106
95 HD22 LEU 12 1HD2 LEU 12 -7.034 -3.744 -1.299
96 HD23 LEU 12 2HD2 LEU 12 -8.747 -3.699 -1.683
97 H ILE 13 H ILE 13 -6.460 0.764 1.411
98 HA ILE 13 HA ILE 13 -4.006 1.963 1.345
99 HB ILE 13 HB ILE 13 -6.219 1.787 3.345
100 HG12 ILE 13 1HG1 ILE 13 -6.260 4.217 2.938
101 HG13 ILE 13 2HG1 ILE 13 -4.862 4.066 1.886
102 HG21 ILE 13 1HG2 ILE 13 -3.498 2.935 3.948
103 HG22 ILE 13 2HG2 ILE 13 -4.481 1.846 4.934
104 HG23 ILE 13 3HG2 ILE 13 -4.962 3.534 4.743
105 HD11 ILE 13 3HD1 ILE 13 -6.161 2.553 0.423
106 HD12 ILE 13 1HD1 ILE 13 -6.943 4.124 0.581
107 HD13 ILE 13 2HD1 ILE 13 -7.551 2.746 1.490
108 H GLN 14 H GLN 14 -5.002 -0.430 3.831
109 HA GLN 14 HA GLN 14 -2.574 -0.609 5.220
110 HB2 GLN 14 1HB GLN 14 -4.410 -2.918 4.528
111 HB3 GLN 14 2HB GLN 14 -3.268 -2.849 5.846
112 HG2 GLN 14 1HG GLN 14 -4.492 -1.152 6.981
113 HG3 GLN 14 2HG GLN 14 -5.502 -0.861 5.568
114 HE21 GLN 14 2HE2 GLN 14 -7.279 -1.328 7.285
115 HE22 GLN 14 1HE2 GLN 14 -7.729 -2.951 7.500
116 H GLN 15 H GLN 15 -3.639 -2.352 2.298
117 HA GLN 15 HA GLN 15 -1.211 -3.808 1.917
118 HB2 GLN 15 1HB GLN 15 -2.959 -2.728 -0.309
119 HB3 GLN 15 2HB GLN 15 -1.938 -4.163 -0.350
120 HG2 GLN 15 1HG GLN 15 -3.374 -5.158 1.449
121 HG3 GLN 15 2HG GLN 15 -4.447 -3.773 1.298
122 HE21 GLN 15 2HE2 GLN 15 -4.457 -3.421 -1.514
123 HE22 GLN 15 1HE2 GLN 15 -5.155 -4.787 -2.240
124 H ALA 16 H ALA 16 -2.324 -0.830 0.321
125 HA ALA 16 HA ALA 16 -0.017 -0.087 -1.043
126 HB1 ALA 16 3HB ALA 16 -2.160 1.193 -1.059
127 HB2 ALA 16 1HB ALA 16 -0.765 2.240 -0.798
128 HB3 ALA 16 2HB ALA 16 -1.797 1.788 0.563
129 H THR 17 H THR 17 -0.715 0.524 2.425
130 HA THR 17 HA THR 17 1.627 1.990 2.989
131 HB THR 17 HB THR 17 -0.268 0.278 4.571
132 HG1 THR 17 HG1 THR 17 -1.042 2.237 4.491
133 HG21 THR 17 3HG2 THR 17 2.371 1.374 5.527
134 HG22 THR 17 1HG2 THR 17 1.726 -0.255 5.718
135 HG23 THR 17 2HG2 THR 17 1.024 1.081 6.629
136 H SER 18 H SER 18 1.075 -1.550 3.025
137 HA SER 18 HA SER 18 3.736 -2.165 3.916
138 HB2 SER 18 1HB SER 18 3.116 -4.438 2.723
139 HB3 SER 18 2HB SER 18 2.276 -3.962 4.192
140 HG SER 18 HG SER 18 0.929 -4.635 2.377
141 H ILE 19 H ILE 19 2.265 -1.908 0.663
142 HA ILE 19 HA ILE 19 4.427 -2.746 -0.884
143 HB ILE 19 HB ILE 19 2.209 -0.740 -1.241
144 HG12 ILE 19 1HG1 ILE 19 1.807 -2.343 -3.251
145 HG13 ILE 19 2HG1 ILE 19 2.964 -3.393 -2.463
146 HG21 ILE 19 1HG2 ILE 19 2.984 -0.522 -3.653
147 HG22 ILE 19 2HG2 ILE 19 4.536 -1.147 -3.102
148 HG23 ILE 19 3HG2 ILE 19 3.914 0.367 -2.451
149 HD11 ILE 19 3HD1 ILE 19 1.588 -3.349 -0.411
150 HD12 ILE 19 1HD1 ILE 19 0.708 -4.001 -1.792
151 HD13 ILE 19 2HD1 ILE 19 0.411 -2.350 -1.263
152 H GLU 20 H GLU 20 3.916 0.317 0.811
153 HA GLU 20 HA GLU 20 5.984 1.843 -0.362
154 HB2 GLU 20 1HB GLU 20 4.183 2.472 1.419
155 HB3 GLU 20 2HB GLU 20 5.382 1.957 2.596
156 HG2 GLU 20 1HG GLU 20 6.934 3.630 1.909
157 HG3 GLU 20 2HG GLU 20 6.032 3.978 0.434
158 H ARG 21 H ARG 21 6.125 -0.367 2.414
159 HA ARG 21 HA ARG 21 8.922 0.040 2.934
160 HB2 ARG 21 1HB ARG 21 6.917 -2.083 3.698
161 HB3 ARG 21 2HB ARG 21 8.612 -2.236 4.146
162 HG2 ARG 21 1HG ARG 21 7.161 -1.138 5.906
163 HG3 ARG 21 2HG ARG 21 8.551 -0.178 5.402
164 HD2 ARG 21 1HD ARG 21 7.199 1.252 4.056
165 HD3 ARG 21 2HD ARG 21 5.825 0.150 4.135
166 HE ARG 21 HE ARG 21 5.257 1.097 6.216
167 HH11 ARG 21 1HH2 ARG 21 8.515 1.809 5.329
168 HH12 ARG 21 2HH2 ARG 21 8.764 2.918 6.637
169 HH21 ARG 21 1HH1 ARG 21 5.568 2.541 7.920
170 HH22 ARG 21 2HH1 ARG 21 7.098 3.332 8.101
171 H LEU 22 H LEU 22 7.163 -2.205 0.834
172 HA LEU 22 HA LEU 22 9.368 -3.965 0.297
173 HB2 LEU 22 1HB LEU 22 7.112 -3.288 -1.597
174 HB3 LEU 22 2HB LEU 22 8.073 -4.750 -1.561
175 HG LEU 22 HG LEU 22 6.030 -3.856 0.410
176 HD11 LEU 22 1HD1 LEU 22 5.091 -6.092 -0.073
177 HD12 LEU 22 2HD1 LEU 22 6.422 -6.372 -1.194
178 HD13 LEU 22 3HD1 LEU 22 5.240 -5.108 -1.528
179 HD21 LEU 22 3HD2 LEU 22 7.766 -4.632 1.848
180 HD22 LEU 22 1HD2 LEU 22 8.193 -5.932 0.735
181 HD23 LEU 22 2HD2 LEU 22 6.689 -6.014 1.651
182 H CYS 23 H CYS 23 7.978 -1.662 -2.043
183 HA CYS 23 HA CYS 23 10.084 -1.632 -3.848
184 HB2 CYS 23 1HB CYS 23 8.959 1.072 -3.367
185 HB3 CYS 23 2HB CYS 23 8.966 0.092 -4.830
186 HG CYS 23 HG CYS 23 6.633 -0.484 -4.337
187 H GLN 24 H GLN 24 9.774 0.649 -1.076
188 HA GLN 24 HA GLN 24 12.182 2.017 -1.376
189 HB2 GLN 24 1HB GLN 24 10.591 1.132 1.021
190 HB3 GLN 24 2HB GLN 24 12.152 1.900 1.270
191 HG2 GLN 24 1HG GLN 24 10.244 3.524 1.289
192 HG3 GLN 24 2HG GLN 24 11.443 3.875 0.044
193 HE21 GLN 24 2HE2 GLN 24 8.127 3.537 0.532
194 HE22 GLN 24 1HE2 GLN 24 7.657 3.236 -1.071
195 H HIS 25 H HIS 25 11.667 -1.308 -0.669
196 HA HIS 25 HA HIS 25 14.465 -1.722 0.232
197 HB2 HIS 25 1HB HIS 25 12.206 -2.870 1.120
198 HB3 HIS 25 2HB HIS 25 12.523 -3.981 -0.199
199 HD1 HIS 25 HD1 HIS 25 15.572 -4.184 -0.090
200 HD2 HIS 25 HD2 HIS 25 13.173 -4.260 3.321
201 HE1 HIS 25 HE1 HIS 25 16.933 -5.320 1.721
202 HE2 HIS 25 HE2 HIS 25 15.483 -5.372 3.800
203 H TYR 26 H TYR 26 12.262 -3.336 -2.044
204 HA TYR 26 HA TYR 26 14.146 -4.646 -3.620
205 HB2 TYR 26 1HB TYR 26 11.456 -3.460 -4.310
206 HB3 TYR 26 2HB TYR 26 12.398 -4.362 -5.493
207 HD1 TYR 26 HD2 TYR 26 13.091 -6.744 -4.966
208 HD2 TYR 26 HD1 TYR 26 10.232 -4.584 -2.595
209 HE1 TYR 26 HE2 TYR 26 12.283 -8.877 -3.993
210 HE2 TYR 26 HE1 TYR 26 9.426 -6.716 -1.625
211 HH TYR 26 HH TYR 26 10.654 -9.166 -1.295
212 H ILE 27 H ILE 27 12.670 -1.493 -4.640
213 HA ILE 27 HA ILE 27 14.913 -1.129 -6.491
214 HB ILE 27 HB ILE 27 12.629 -0.440 -7.153
215 HG12 ILE 27 1HG1 ILE 27 14.538 1.888 -6.923
216 HG13 ILE 27 2HG1 ILE 27 14.682 0.597 -8.103
217 HG21 ILE 27 1HG2 ILE 27 12.950 1.565 -4.929
218 HG22 ILE 27 2HG2 ILE 27 11.721 0.319 -5.073
219 HG23 ILE 27 3HG2 ILE 27 11.740 1.674 -6.192
220 HD11 ILE 27 3HD1 ILE 27 12.401 2.560 -7.838
221 HD12 ILE 27 1HD1 ILE 27 12.362 1.150 -8.896
222 HD13 ILE 27 2HD1 ILE 27 13.542 2.431 -9.178
223 H GLY 28 H GLY 28 13.868 0.190 -3.395
224 HA2 GLY 28 1HA GLY 28 15.768 0.921 -1.898
225 HA3 GLY 28 2HA GLY 28 16.407 1.797 -3.287
226 H TRP 29 H TRP 29 13.995 2.848 -4.292
227 HA TRP 29 HA TRP 29 13.082 4.677 -2.094
228 HB2 TRP 29 1HB TRP 29 13.059 6.490 -3.753
229 HB3 TRP 29 2HB TRP 29 14.669 5.779 -3.656
230 HD1 TRP 29 HD1 TRP 29 15.011 3.648 -5.507
231 HE1 TRP 29 HE1 TRP 29 14.372 3.655 -8.005
232 HE3 TRP 29 HE3 TRP 29 11.678 7.516 -5.565
233 HZ2 TRP 29 HZ2 TRP 29 12.706 5.109 -9.788
234 HZ3 TRP 29 HZ3 TRP 29 10.587 8.198 -7.686
235 HH2 TRP 29 HH2 TRP 29 11.095 6.997 -9.797
236 H CYS 30 H CYS 30 11.153 6.031 -3.649
237 HA CYS 30 HA CYS 30 9.092 3.924 -3.867
238 HB2 CYS 30 1HB CYS 30 7.617 6.014 -4.205
239 HB3 CYS 30 2HB CYS 30 8.363 5.798 -2.624
240 HG CYS 30 HG CYS 30 9.672 7.664 -4.769
241 HA PRO 31 HA PRO 31 9.919 4.362 -8.343
242 HB2 PRO 31 1HB PRO 31 8.587 2.102 -9.180
243 HB3 PRO 31 2HB PRO 31 10.250 2.106 -8.576
244 HG2 PRO 31 1HG PRO 31 7.774 1.208 -7.244
245 HG3 PRO 31 2HG PRO 31 9.449 0.691 -6.997
246 HD2 PRO 31 1HD PRO 31 7.991 2.460 -5.327
247 HD3 PRO 31 2HD PRO 31 9.737 2.187 -5.275
248 H PHE 32 H PHE 32 6.774 3.648 -6.894
249 HA PHE 32 HA PHE 32 5.272 4.618 -9.188
250 HB2 PHE 32 1HB PHE 32 4.519 3.773 -6.387
251 HB3 PHE 32 2HB PHE 32 3.339 4.403 -7.534
252 HD1 PHE 32 HD1 PHE 32 2.958 3.208 -9.717
253 HD2 PHE 32 HD2 PHE 32 5.383 1.555 -6.581
254 HE1 PHE 32 HE1 PHE 32 2.801 0.970 -10.775
255 HE2 PHE 32 HE2 PHE 32 5.225 -0.683 -7.638
256 HZ PHE 32 HZ PHE 32 3.934 -0.976 -9.734
257 H TRP 33 H TRP 33 5.168 5.676 -5.780
258 HA TRP 33 HA TRP 33 4.735 8.464 -6.717
259 HB2 TRP 33 1HB TRP 33 4.283 8.763 -4.174
260 HB3 TRP 33 2HB TRP 33 3.094 7.891 -5.134
261 HD1 TRP 33 HD1 TRP 33 5.738 7.401 -2.450
262 HE1 TRP 33 HE1 TRP 33 5.476 5.037 -1.445
263 HE3 TRP 33 HE3 TRP 33 2.309 5.435 -5.681
264 HZ2 TRP 33 HZ2 TRP 33 4.014 2.645 -1.940
265 HZ3 TRP 33 HZ3 TRP 33 1.500 3.112 -5.396
266 HH2 TRP 33 HH2 TRP 33 2.337 1.708 -3.525
Start of MODEL 7
1 H1 ASN 1 1H ASN 1 -24.548 -3.078 0.660
2 H2 ASN 1 2H ASN 1 -23.829 -4.526 1.183
3 H3 ASN 1 3H ASN 1 -23.129 -3.031 1.587
4 HA ASN 1 HA ASN 1 -25.846 -3.174 2.442
5 HB2 ASN 1 1HB ASN 1 -23.934 -5.089 3.794
6 HB3 ASN 1 2HB ASN 1 -25.672 -4.924 4.047
7 HD21 ASN 1 2HD2 ASN 1 -23.398 -6.846 2.499
8 HD22 ASN 1 1HD2 ASN 1 -24.391 -7.518 1.298
9 H GLU 2 H GLU 2 -24.654 -3.654 5.220
10 HA GLU 2 HA GLU 2 -24.207 -0.971 5.964
11 HB2 GLU 2 1HB GLU 2 -24.706 -2.870 7.535
12 HB3 GLU 2 2HB GLU 2 -23.042 -3.416 7.328
13 HG2 GLU 2 1HG GLU 2 -23.140 -2.074 9.339
14 HG3 GLU 2 2HG GLU 2 -22.277 -1.146 8.113
15 H LEU 3 H LEU 3 -21.811 -3.525 5.328
16 HA LEU 3 HA LEU 3 -19.432 -2.184 5.791
17 HB2 LEU 3 1HB LEU 3 -19.916 -3.812 3.289
18 HB3 LEU 3 2HB LEU 3 -18.387 -3.568 4.134
19 HG LEU 3 HG LEU 3 -20.765 -5.227 4.994
20 HD11 LEU 3 1HD1 LEU 3 -18.980 -6.918 5.312
21 HD12 LEU 3 2HD1 LEU 3 -17.787 -5.728 4.791
22 HD13 LEU 3 3HD1 LEU 3 -19.013 -6.301 3.660
23 HD21 LEU 3 3HD2 LEU 3 -20.265 -3.996 7.000
24 HD22 LEU 3 1HD2 LEU 3 -18.527 -4.122 6.720
25 HD23 LEU 3 2HD2 LEU 3 -19.456 -5.553 7.168
26 H ASP 4 H ASP 4 -18.017 -0.927 4.467
27 HA ASP 4 HA ASP 4 -19.379 1.042 2.836
28 HB2 ASP 4 1HB ASP 4 -16.518 0.531 3.559
29 HB3 ASP 4 2HB ASP 4 -16.960 1.793 2.430
30 H VAL 5 H VAL 5 -18.287 1.501 0.618
31 HA VAL 5 HA VAL 5 -18.367 -1.063 -0.866
32 HB VAL 5 HB VAL 5 -19.010 1.783 -1.462
33 HG11 VAL 5 1HG1 VAL 5 -19.052 1.232 -3.925
34 HG12 VAL 5 2HG1 VAL 5 -18.128 -0.224 -3.560
35 HG13 VAL 5 3HG1 VAL 5 -17.417 1.371 -3.260
36 HG21 VAL 5 3HG2 VAL 5 -20.292 -0.814 -2.319
37 HG22 VAL 5 1HG2 VAL 5 -21.020 0.796 -2.321
38 HG23 VAL 5 2HG2 VAL 5 -20.639 -0.003 -0.785
39 HA PRO 6 HA PRO 6 -14.231 0.528 -2.396
40 HB2 PRO 6 1HB PRO 6 -13.230 2.902 -1.760
41 HB3 PRO 6 2HB PRO 6 -14.613 2.809 -2.881
42 HG2 PRO 6 1HG PRO 6 -14.632 3.343 0.068
43 HG3 PRO 6 2HG PRO 6 -15.391 4.279 -1.241
44 HD2 PRO 6 1HD PRO 6 -16.775 2.409 0.189
45 HD3 PRO 6 2HD PRO 6 -17.108 2.771 -1.509
46 H GLU 7 H GLU 7 -15.159 -0.307 0.344
47 HA GLU 7 HA GLU 7 -13.385 0.309 2.372
48 HB2 GLU 7 1HB GLU 7 -15.419 -1.443 2.157
49 HB3 GLU 7 2HB GLU 7 -14.090 -2.593 2.005
50 HG2 GLU 7 1HG GLU 7 -13.119 -1.461 4.106
51 HG3 GLU 7 2HG GLU 7 -14.711 -0.735 4.293
52 H GLN 8 H GLN 8 -12.863 -1.872 -0.374
53 HA GLN 8 HA GLN 8 -10.478 -3.109 0.376
54 HB2 GLN 8 1HB GLN 8 -10.758 -1.853 -2.363
55 HB3 GLN 8 2HB GLN 8 -10.021 -3.398 -1.929
56 HG2 GLN 8 1HG GLN 8 -12.412 -4.050 -1.117
57 HG3 GLN 8 2HG GLN 8 -12.945 -2.682 -2.092
58 HE21 GLN 8 2HE2 GLN 8 -11.457 -5.892 -2.238
59 HE22 GLN 8 1HE2 GLN 8 -11.619 -6.085 -3.917
60 H VAL 9 H VAL 9 -10.995 0.161 -0.802
61 HA VAL 9 HA VAL 9 -8.380 1.141 -1.007
62 HB VAL 9 HB VAL 9 -10.838 2.520 0.111
63 HG11 VAL 9 1HG1 VAL 9 -9.604 4.568 -0.800
64 HG12 VAL 9 2HG1 VAL 9 -8.169 3.543 -0.834
65 HG13 VAL 9 3HG1 VAL 9 -8.995 3.856 0.697
66 HG21 VAL 9 3HG2 VAL 9 -11.016 3.402 -2.235
67 HG22 VAL 9 1HG2 VAL 9 -11.304 1.668 -2.089
68 HG23 VAL 9 2HG2 VAL 9 -9.757 2.258 -2.701
69 H ASP 10 H ASP 10 -10.489 1.802 1.756
70 HA ASP 10 HA ASP 10 -8.564 2.575 3.610
71 HB2 ASP 10 1HB ASP 10 -10.949 2.696 4.058
72 HB3 ASP 10 2HB ASP 10 -11.077 0.935 4.045
73 H LYS 11 H LYS 11 -9.430 -0.707 2.630
74 HA LYS 11 HA LYS 11 -7.716 -1.978 4.615
75 HB2 LYS 11 1HB LYS 11 -8.833 -3.033 2.004
76 HB3 LYS 11 2HB LYS 11 -8.014 -4.011 3.218
77 HG2 LYS 11 1HG LYS 11 -9.763 -3.292 4.870
78 HG3 LYS 11 2HG LYS 11 -10.622 -2.513 3.546
79 HD2 LYS 11 1HD LYS 11 -10.521 -4.790 2.351
80 HD3 LYS 11 2HD LYS 11 -10.057 -5.457 3.918
81 HE2 LYS 11 1HE LYS 11 -12.117 -4.425 4.904
82 HE3 LYS 11 2HE LYS 11 -12.596 -3.935 3.276
83 HZ1 LYS 11 3HZ LYS 11 -13.668 -5.963 3.644
84 HZ2 LYS 11 1HZ LYS 11 -12.304 -6.675 4.358
85 HZ3 LYS 11 2HZ LYS 11 -12.327 -6.371 2.686
86 H LEU 12 H LEU 12 -7.467 -1.087 1.193
87 HA LEU 12 HA LEU 12 -4.913 -2.145 0.638
88 HB2 LEU 12 1HB LEU 12 -6.316 0.296 -0.311
89 HB3 LEU 12 2HB LEU 12 -4.790 -0.203 -0.953
90 HG LEU 12 HG LEU 12 -7.424 -1.066 -1.703
91 HD11 LEU 12 1HD1 LEU 12 -5.622 -0.507 -3.226
92 HD12 LEU 12 2HD1 LEU 12 -6.156 -2.165 -3.520
93 HD13 LEU 12 3HD1 LEU 12 -4.669 -1.859 -2.608
94 HD21 LEU 12 3HD2 LEU 12 -7.282 -3.447 -1.711
95 HD22 LEU 12 1HD2 LEU 12 -6.987 -2.973 -0.048
96 HD23 LEU 12 2HD2 LEU 12 -5.640 -3.426 -1.087
97 H ILE 13 H ILE 13 -5.771 1.126 1.703
98 HA ILE 13 HA ILE 13 -3.346 2.284 2.182
99 HB ILE 13 HB ILE 13 -5.982 2.234 3.586
100 HG12 ILE 13 1HG1 ILE 13 -5.876 4.638 3.066
101 HG13 ILE 13 2HG1 ILE 13 -4.258 4.430 2.412
102 HG21 ILE 13 1HG2 ILE 13 -4.680 2.344 5.544
103 HG22 ILE 13 2HG2 ILE 13 -5.047 4.031 5.169
104 HG23 ILE 13 3HG2 ILE 13 -3.454 3.361 4.779
105 HD11 ILE 13 3HD1 ILE 13 -5.206 2.831 0.741
106 HD12 ILE 13 1HD1 ILE 13 -5.878 4.452 0.596
107 HD13 ILE 13 2HD1 ILE 13 -6.813 3.183 1.376
108 H GLN 14 H GLN 14 -4.944 -0.050 4.394
109 HA GLN 14 HA GLN 14 -2.930 -0.111 6.364
110 HB2 GLN 14 1HB GLN 14 -4.632 -2.444 5.448
111 HB3 GLN 14 2HB GLN 14 -3.831 -2.273 6.995
112 HG2 GLN 14 1HG GLN 14 -5.216 -0.421 7.623
113 HG3 GLN 14 2HG GLN 14 -5.895 -0.330 6.003
114 HE21 GLN 14 2HE2 GLN 14 -8.094 -0.762 6.700
115 HE22 GLN 14 1HE2 GLN 14 -8.561 -2.283 7.287
116 H GLN 15 H GLN 15 -3.335 -2.210 3.490
117 HA GLN 15 HA GLN 15 -0.739 -3.433 3.979
118 HB2 GLN 15 1HB GLN 15 -1.227 -4.891 2.249
119 HB3 GLN 15 2HB GLN 15 -2.852 -4.418 2.729
120 HG2 GLN 15 1HG GLN 15 -2.540 -2.546 0.904
121 HG3 GLN 15 2HG GLN 15 -1.269 -3.593 0.299
122 HE21 GLN 15 2HE2 GLN 15 -4.670 -3.955 1.470
123 HE22 GLN 15 1HE2 GLN 15 -5.123 -5.046 0.250
124 H ALA 16 H ALA 16 -1.820 -0.547 2.477
125 HA ALA 16 HA ALA 16 0.285 -0.278 0.507
126 HB1 ALA 16 3HB ALA 16 -1.014 2.002 2.023
127 HB2 ALA 16 1HB ALA 16 -1.853 1.136 0.737
128 HB3 ALA 16 2HB ALA 16 -0.366 2.016 0.383
129 H THR 17 H THR 17 0.029 0.481 3.978
130 HA THR 17 HA THR 17 2.452 1.923 4.238
131 HB THR 17 HB THR 17 0.706 0.282 6.033
132 HG1 THR 17 HG1 THR 17 1.547 2.901 5.692
133 HG21 THR 17 3HG2 THR 17 2.359 0.882 7.919
134 HG22 THR 17 1HG2 THR 17 3.559 1.038 6.637
135 HG23 THR 17 2HG2 THR 17 2.748 -0.503 6.901
136 H SER 18 H SER 18 1.816 -1.600 4.311
137 HA SER 18 HA SER 18 4.510 -2.374 4.845
138 HB2 SER 18 1HB SER 18 3.657 -4.514 3.506
139 HB3 SER 18 2HB SER 18 3.046 -4.156 5.115
140 HG SER 18 HG SER 18 1.318 -4.516 3.749
141 H ILE 19 H ILE 19 2.759 -1.997 1.723
142 HA ILE 19 HA ILE 19 4.750 -2.689 -0.059
143 HB ILE 19 HB ILE 19 2.510 -0.701 -0.019
144 HG12 ILE 19 1HG1 ILE 19 1.994 -2.016 -2.193
145 HG13 ILE 19 2HG1 ILE 19 3.261 -3.101 -1.668
146 HG21 ILE 19 1HG2 ILE 19 4.037 0.668 -1.165
147 HG22 ILE 19 2HG2 ILE 19 3.095 -0.110 -2.435
148 HG23 ILE 19 3HG2 ILE 19 4.721 -0.691 -2.057
149 HD11 ILE 19 3HD1 ILE 19 0.707 -2.452 -0.224
150 HD12 ILE 19 1HD1 ILE 19 2.046 -3.316 0.531
151 HD13 ILE 19 2HD1 ILE 19 1.217 -4.015 -0.857
152 H GLU 20 H GLU 20 4.421 0.347 1.770
153 HA GLU 20 HA GLU 20 6.493 1.838 0.587
154 HB2 GLU 20 1HB GLU 20 4.880 2.443 2.552
155 HB3 GLU 20 2HB GLU 20 6.127 1.759 3.588
156 HG2 GLU 20 1HG GLU 20 6.658 4.069 3.469
157 HG3 GLU 20 2HG GLU 20 7.771 3.300 2.337
158 H ARG 21 H ARG 21 6.673 -0.569 3.193
159 HA ARG 21 HA ARG 21 9.535 -0.437 3.467
160 HB2 ARG 21 1HB ARG 21 7.456 -2.497 4.251
161 HB3 ARG 21 2HB ARG 21 9.168 -2.734 4.566
162 HG2 ARG 21 1HG ARG 21 8.517 -1.749 6.572
163 HG3 ARG 21 2HG ARG 21 8.983 -0.314 5.670
164 HD2 ARG 21 1HD ARG 21 6.544 -0.133 4.942
165 HD3 ARG 21 2HD ARG 21 6.193 -1.387 6.129
166 HE ARG 21 HE ARG 21 6.813 1.395 6.719
167 HH11 ARG 21 1HH2 ARG 21 6.934 -1.883 7.772
168 HH12 ARG 21 2HH2 ARG 21 6.967 -1.482 9.457
169 HH21 ARG 21 1HH1 ARG 21 6.854 1.942 8.913
170 HH22 ARG 21 2HH1 ARG 21 6.922 0.686 10.103
171 H LEU 22 H LEU 22 7.342 -2.392 1.492
172 HA LEU 22 HA LEU 22 9.439 -4.135 0.476
173 HB2 LEU 22 1HB LEU 22 6.785 -3.535 -0.840
174 HB3 LEU 22 2HB LEU 22 7.774 -4.970 -1.014
175 HG LEU 22 HG LEU 22 6.166 -4.124 1.345
176 HD11 LEU 22 1HD1 LEU 22 5.266 -6.412 1.117
177 HD12 LEU 22 2HD1 LEU 22 6.344 -6.669 -0.255
178 HD13 LEU 22 3HD1 LEU 22 5.054 -5.473 -0.360
179 HD21 LEU 22 3HD2 LEU 22 7.184 -6.190 2.472
180 HD22 LEU 22 1HD2 LEU 22 8.227 -4.772 2.372
181 HD23 LEU 22 2HD2 LEU 22 8.441 -6.106 1.239
182 H CYS 23 H CYS 23 7.479 -1.640 -1.167
183 HA CYS 23 HA CYS 23 8.886 -1.391 -3.539
184 HB2 CYS 23 1HB CYS 23 7.361 0.513 -1.816
185 HB3 CYS 23 2HB CYS 23 8.319 1.213 -3.116
186 HG CYS 23 HG CYS 23 5.738 0.293 -3.737
187 H GLN 24 H GLN 24 9.649 0.485 -0.562
188 HA GLN 24 HA GLN 24 11.943 1.783 -1.474
189 HB2 GLN 24 1HB GLN 24 11.194 0.644 1.223
190 HB3 GLN 24 2HB GLN 24 12.708 1.502 0.981
191 HG2 GLN 24 1HG GLN 24 11.464 3.465 0.131
192 HG3 GLN 24 2HG GLN 24 9.948 2.609 0.411
193 HE21 GLN 24 2HE2 GLN 24 12.527 4.402 1.960
194 HE22 GLN 24 1HE2 GLN 24 11.879 4.359 3.529
195 H HIS 25 H HIS 25 11.420 -1.578 -0.910
196 HA HIS 25 HA HIS 25 14.324 -2.207 -0.929
197 HB2 HIS 25 1HB HIS 25 12.400 -3.330 0.528
198 HB3 HIS 25 2HB HIS 25 12.154 -4.300 -0.911
199 HD1 HIS 25 HD1 HIS 25 14.768 -5.097 -1.908
200 HD2 HIS 25 HD2 HIS 25 14.161 -4.641 2.194
201 HE1 HIS 25 HE1 HIS 25 16.592 -6.432 -0.758
202 HE2 HIS 25 HE2 HIS 25 16.231 -6.159 1.737
203 H TYR 26 H TYR 26 11.460 -3.538 -2.561
204 HA TYR 26 HA TYR 26 12.749 -4.787 -4.698
205 HB2 TYR 26 1HB TYR 26 10.021 -3.516 -4.468
206 HB3 TYR 26 2HB TYR 26 10.528 -4.345 -5.937
207 HD1 TYR 26 HD2 TYR 26 9.705 -4.741 -2.370
208 HD2 TYR 26 HD1 TYR 26 10.904 -6.759 -5.967
209 HE1 TYR 26 HE2 TYR 26 9.159 -6.923 -1.327
210 HE2 TYR 26 HE1 TYR 26 10.358 -8.942 -4.924
211 HH TYR 26 HH TYR 26 8.514 -9.511 -2.712
212 H ILE 27 H ILE 27 11.006 -1.669 -5.227
213 HA ILE 27 HA ILE 27 12.700 -1.192 -7.553
214 HB ILE 27 HB ILE 27 10.310 -0.520 -7.554
215 HG12 ILE 27 1HG1 ILE 27 12.187 1.827 -7.814
216 HG13 ILE 27 2HG1 ILE 27 12.058 0.543 -9.000
217 HG21 ILE 27 1HG2 ILE 27 9.849 0.233 -5.385
218 HG22 ILE 27 2HG2 ILE 27 9.850 1.704 -6.348
219 HG23 ILE 27 3HG2 ILE 27 11.235 1.306 -5.357
220 HD11 ILE 27 3HD1 ILE 27 9.929 2.520 -8.185
221 HD12 ILE 27 1HD1 ILE 27 9.570 1.064 -9.114
222 HD13 ILE 27 2HD1 ILE 27 10.641 2.294 -9.782
223 H GLY 28 H GLY 28 12.621 -0.099 -4.233
224 HA2 GLY 28 1HA GLY 28 14.817 0.665 -3.296
225 HA3 GLY 28 2HA GLY 28 15.038 1.605 -4.769
226 H TRP 29 H TRP 29 12.410 2.601 -5.015
227 HA TRP 29 HA TRP 29 12.051 4.295 -2.573
228 HB2 TRP 29 1HB TRP 29 11.734 6.236 -4.006
229 HB3 TRP 29 2HB TRP 29 13.267 5.480 -4.440
230 HD1 TRP 29 HD1 TRP 29 12.902 3.490 -6.458
231 HE1 TRP 29 HE1 TRP 29 11.587 3.754 -8.663
232 HE3 TRP 29 HE3 TRP 29 10.032 7.546 -5.294
233 HZ2 TRP 29 HZ2 TRP 29 9.623 5.469 -9.790
234 HZ3 TRP 29 HZ3 TRP 29 8.453 8.484 -6.963
235 HH2 TRP 29 HH2 TRP 29 8.244 7.444 -9.209
236 H CYS 30 H CYS 30 9.801 5.704 -3.517
237 HA CYS 30 HA CYS 30 7.783 3.536 -3.521
238 HB2 CYS 30 1HB CYS 30 6.242 5.640 -3.323
239 HB3 CYS 30 2HB CYS 30 7.234 5.181 -1.942
240 HG CYS 30 HG CYS 30 7.489 7.798 -2.638
241 HA PRO 31 HA PRO 31 7.580 4.435 -7.983
242 HB2 PRO 31 1HB PRO 31 5.919 2.400 -8.733
243 HB3 PRO 31 2HB PRO 31 7.645 2.174 -8.416
244 HG2 PRO 31 1HG PRO 31 5.315 1.498 -6.706
245 HG3 PRO 31 2HG PRO 31 6.869 0.665 -6.884
246 HD2 PRO 31 1HD PRO 31 6.206 2.363 -4.760
247 HD3 PRO 31 2HD PRO 31 7.859 1.930 -5.234
248 H PHE 32 H PHE 32 4.854 4.006 -5.828
249 HA PHE 32 HA PHE 32 2.919 5.189 -7.665
250 HB2 PHE 32 1HB PHE 32 2.851 4.154 -4.839
251 HB3 PHE 32 2HB PHE 32 1.502 5.089 -5.473
252 HD1 PHE 32 HD2 PHE 32 0.241 4.278 -7.473
253 HD2 PHE 32 HD1 PHE 32 3.257 1.897 -5.554
254 HE1 PHE 32 HE2 PHE 32 -0.617 2.260 -8.629
255 HE2 PHE 32 HE1 PHE 32 2.398 -0.122 -6.710
256 HZ PHE 32 HZ PHE 32 0.461 0.060 -8.248
257 H TRP 33 H TRP 33 3.766 6.105 -4.308
258 HA TRP 33 HA TRP 33 3.266 8.937 -5.002
259 HB2 TRP 33 1HB TRP 33 3.760 9.169 -2.459
260 HB3 TRP 33 2HB TRP 33 2.268 8.370 -2.946
261 HD1 TRP 33 HD1 TRP 33 5.638 7.717 -1.346
262 HE1 TRP 33 HE1 TRP 33 5.680 5.308 -0.419
263 HE3 TRP 33 HE3 TRP 33 1.281 5.941 -3.312
264 HZ2 TRP 33 HZ2 TRP 33 4.085 2.949 -0.507
265 HZ3 TRP 33 HZ3 TRP 33 0.566 3.610 -2.887
266 HH2 TRP 33 HH2 TRP 33 1.959 2.108 -1.482
Start of MODEL 8
1 H1 ASN 1 1H ASN 1 -22.238 3.794 8.861
2 H2 ASN 1 2H ASN 1 -22.150 2.529 9.993
3 H3 ASN 1 3H ASN 1 -23.069 3.918 10.334
4 HA ASN 1 HA ASN 1 -24.716 2.466 9.718
5 HB2 ASN 1 1HB ASN 1 -23.814 3.577 7.045
6 HB3 ASN 1 2HB ASN 1 -25.458 3.149 7.520
7 HD21 ASN 1 2HD2 ASN 1 -22.843 5.124 9.055
8 HD22 ASN 1 1HD2 ASN 1 -23.840 6.465 9.357
9 H GLU 2 H GLU 2 -24.881 1.466 6.882
10 HA GLU 2 HA GLU 2 -23.998 -1.200 7.334
11 HB2 GLU 2 1HB GLU 2 -25.214 0.324 5.140
12 HB3 GLU 2 2HB GLU 2 -24.083 -0.874 4.520
13 HG2 GLU 2 1HG GLU 2 -26.323 -1.468 6.479
14 HG3 GLU 2 2HG GLU 2 -26.395 -1.770 4.743
15 H LEU 3 H LEU 3 -22.519 -1.971 5.102
16 HA LEU 3 HA LEU 3 -19.850 -1.422 5.928
17 HB2 LEU 3 1HB LEU 3 -20.721 -2.283 3.162
18 HB3 LEU 3 2HB LEU 3 -19.138 -2.520 3.897
19 HG LEU 3 HG LEU 3 -21.747 -3.897 4.560
20 HD11 LEU 3 1HD1 LEU 3 -18.923 -4.833 3.993
21 HD12 LEU 3 2HD1 LEU 3 -20.290 -4.914 2.881
22 HD13 LEU 3 3HD1 LEU 3 -20.286 -5.897 4.346
23 HD21 LEU 3 3HD2 LEU 3 -20.954 -3.294 6.749
24 HD22 LEU 3 1HD2 LEU 3 -19.280 -3.642 6.309
25 HD23 LEU 3 2HD2 LEU 3 -20.440 -4.959 6.487
26 H ASP 4 H ASP 4 -18.189 -0.259 4.778
27 HA ASP 4 HA ASP 4 -19.101 2.299 3.752
28 HB2 ASP 4 1HB ASP 4 -16.423 1.036 4.200
29 HB3 ASP 4 2HB ASP 4 -16.563 2.563 3.347
30 H VAL 5 H VAL 5 -17.873 2.991 1.621
31 HA VAL 5 HA VAL 5 -18.590 0.921 -0.383
32 HB VAL 5 HB VAL 5 -18.585 3.899 -0.292
33 HG11 VAL 5 1HG1 VAL 5 -17.183 3.561 -2.260
34 HG12 VAL 5 2HG1 VAL 5 -18.823 3.945 -2.803
35 HG13 VAL 5 3HG1 VAL 5 -18.256 2.277 -2.835
36 HG21 VAL 5 3HG2 VAL 5 -20.791 3.611 -1.150
37 HG22 VAL 5 1HG2 VAL 5 -20.558 2.381 0.103
38 HG23 VAL 5 2HG2 VAL 5 -20.461 1.938 -1.608
39 HA PRO 6 HA PRO 6 -14.235 1.901 -1.826
40 HB2 PRO 6 1HB PRO 6 -12.739 3.841 -0.806
41 HB3 PRO 6 2HB PRO 6 -14.142 4.258 -1.820
42 HG2 PRO 6 1HG PRO 6 -13.946 4.178 1.169
43 HG3 PRO 6 2HG PRO 6 -14.553 5.481 0.123
44 HD2 PRO 6 1HD PRO 6 -16.215 3.637 1.290
45 HD3 PRO 6 2HD PRO 6 -16.552 4.425 -0.257
46 H GLU 7 H GLU 7 -15.175 0.730 0.808
47 HA GLU 7 HA GLU 7 -13.223 0.571 2.745
48 HB2 GLU 7 1HB GLU 7 -15.569 -0.725 2.327
49 HB3 GLU 7 2HB GLU 7 -14.464 -2.043 1.944
50 HG2 GLU 7 1HG GLU 7 -13.295 -1.543 4.141
51 HG3 GLU 7 2HG GLU 7 -14.635 -0.458 4.509
52 H GLN 8 H GLN 8 -13.148 -1.037 -0.426
53 HA GLN 8 HA GLN 8 -10.994 -2.794 0.047
54 HB2 GLN 8 1HB GLN 8 -11.124 -1.118 -2.470
55 HB3 GLN 8 2HB GLN 8 -10.625 -2.802 -2.293
56 HG2 GLN 8 1HG GLN 8 -13.058 -3.231 -1.509
57 HG3 GLN 8 2HG GLN 8 -13.412 -1.647 -2.201
58 HE21 GLN 8 2HE2 GLN 8 -12.559 -4.976 -2.973
59 HE22 GLN 8 1HE2 GLN 8 -12.731 -4.828 -4.655
60 H VAL 9 H VAL 9 -11.017 0.660 -0.616
61 HA VAL 9 HA VAL 9 -8.304 1.267 -0.813
62 HB VAL 9 HB VAL 9 -10.462 2.757 0.704
63 HG11 VAL 9 1HG1 VAL 9 -8.469 3.727 1.437
64 HG12 VAL 9 2HG1 VAL 9 -8.918 4.737 0.059
65 HG13 VAL 9 3HG1 VAL 9 -7.669 3.505 -0.122
66 HG21 VAL 9 3HG2 VAL 9 -11.118 2.424 -1.576
67 HG22 VAL 9 1HG2 VAL 9 -9.512 2.859 -2.163
68 HG23 VAL 9 2HG2 VAL 9 -10.546 4.089 -1.434
69 H ASP 10 H ASP 10 -10.123 1.704 2.189
70 HA ASP 10 HA ASP 10 -8.020 1.853 3.984
71 HB2 ASP 10 1HB ASP 10 -10.300 2.203 4.691
72 HB3 ASP 10 2HB ASP 10 -10.732 0.533 4.308
73 H LYS 11 H LYS 11 -9.433 -1.056 2.570
74 HA LYS 11 HA LYS 11 -7.789 -2.874 4.129
75 HB2 LYS 11 1HB LYS 11 -9.248 -3.288 1.507
76 HB3 LYS 11 2HB LYS 11 -8.508 -4.569 2.462
77 HG2 LYS 11 1HG LYS 11 -9.999 -4.051 4.338
78 HG3 LYS 11 2HG LYS 11 -10.724 -2.736 3.418
79 HD2 LYS 11 1HD LYS 11 -11.275 -4.509 1.636
80 HD3 LYS 11 2HD LYS 11 -10.884 -5.704 2.873
81 HE2 LYS 11 1HE LYS 11 -12.538 -4.490 4.386
82 HE3 LYS 11 2HE LYS 11 -13.051 -3.601 2.952
83 HZ1 LYS 11 3HZ LYS 11 -13.135 -6.539 3.352
84 HZ2 LYS 11 1HZ LYS 11 -13.465 -5.774 1.876
85 HZ3 LYS 11 2HZ LYS 11 -14.462 -5.486 3.221
86 H LEU 12 H LEU 12 -7.643 -1.440 0.899
87 HA LEU 12 HA LEU 12 -5.316 -2.714 -0.058
88 HB2 LEU 12 1HB LEU 12 -6.381 0.030 -0.478
89 HB3 LEU 12 2HB LEU 12 -5.027 -0.598 -1.349
90 HG LEU 12 HG LEU 12 -7.835 -0.925 -1.901
91 HD11 LEU 12 1HD1 LEU 12 -6.947 -1.849 -4.009
92 HD12 LEU 12 2HD1 LEU 12 -5.348 -1.919 -3.257
93 HD13 LEU 12 3HD1 LEU 12 -6.131 -0.358 -3.526
94 HD21 LEU 12 3HD2 LEU 12 -7.575 -3.123 -0.645
95 HD22 LEU 12 1HD2 LEU 12 -6.367 -3.572 -1.847
96 HD23 LEU 12 2HD2 LEU 12 -8.031 -3.279 -2.330
97 H ILE 13 H ILE 13 -5.664 0.352 1.653
98 HA ILE 13 HA ILE 13 -3.052 1.105 2.019
99 HB ILE 13 HB ILE 13 -5.570 1.250 3.616
100 HG12 ILE 13 1HG1 ILE 13 -5.091 3.669 3.413
101 HG13 ILE 13 2HG1 ILE 13 -3.605 3.296 2.557
102 HG21 ILE 13 1HG2 ILE 13 -4.140 0.906 5.461
103 HG22 ILE 13 2HG2 ILE 13 -4.269 2.664 5.327
104 HG23 ILE 13 3HG2 ILE 13 -2.827 1.833 4.723
105 HD11 ILE 13 3HD1 ILE 13 -6.424 2.644 1.687
106 HD12 ILE 13 1HD1 ILE 13 -4.979 2.108 0.836
107 HD13 ILE 13 2HD1 ILE 13 -5.350 3.825 0.951
108 H GLN 14 H GLN 14 -4.846 -1.315 3.954
109 HA GLN 14 HA GLN 14 -2.794 -1.852 5.808
110 HB2 GLN 14 1HB GLN 14 -4.958 -3.687 4.765
111 HB3 GLN 14 2HB GLN 14 -3.941 -4.017 6.155
112 HG2 GLN 14 1HG GLN 14 -4.738 -1.791 7.111
113 HG3 GLN 14 2HG GLN 14 -5.956 -1.815 5.844
114 HE21 GLN 14 2HE2 GLN 14 -7.794 -2.192 7.190
115 HE22 GLN 14 1HE2 GLN 14 -7.999 -3.623 8.080
116 H GLN 15 H GLN 15 -3.501 -3.536 2.714
117 HA GLN 15 HA GLN 15 -1.079 -5.152 3.104
118 HB2 GLN 15 1HB GLN 15 -1.551 -6.141 0.921
119 HB3 GLN 15 2HB GLN 15 -3.012 -6.122 1.901
120 HG2 GLN 15 1HG GLN 15 -3.745 -5.357 -0.198
121 HG3 GLN 15 2HG GLN 15 -3.527 -3.886 0.732
122 HE21 GLN 15 2HE2 GLN 15 -2.747 -2.363 -0.766
123 HE22 GLN 15 1HE2 GLN 15 -1.434 -2.632 -1.808
124 H ALA 16 H ALA 16 -1.736 -2.042 2.048
125 HA ALA 16 HA ALA 16 0.501 -1.871 0.126
126 HB1 ALA 16 3HB ALA 16 -0.958 0.489 1.330
127 HB2 ALA 16 1HB ALA 16 -1.733 -0.511 0.100
128 HB3 ALA 16 2HB ALA 16 -0.231 0.333 -0.272
129 H THR 17 H THR 17 -0.208 -1.002 3.506
130 HA THR 17 HA THR 17 1.937 0.670 4.092
131 HB THR 17 HB THR 17 0.376 -1.385 5.623
132 HG1 THR 17 HG1 THR 17 -0.385 0.399 6.587
133 HG21 THR 17 3HG2 THR 17 2.929 -0.077 6.529
134 HG22 THR 17 1HG2 THR 17 2.437 -1.762 6.678
135 HG23 THR 17 2HG2 THR 17 1.673 -0.532 7.682
136 H SER 18 H SER 18 1.879 -2.877 3.850
137 HA SER 18 HA SER 18 4.605 -3.286 4.624
138 HB2 SER 18 1HB SER 18 4.215 -5.408 3.076
139 HB3 SER 18 2HB SER 18 3.369 -5.266 4.612
140 HG SER 18 HG SER 18 2.430 -5.066 2.010
141 H ILE 19 H ILE 19 3.077 -2.991 1.399
142 HA ILE 19 HA ILE 19 5.360 -3.167 -0.190
143 HB ILE 19 HB ILE 19 2.710 -1.778 -0.398
144 HG12 ILE 19 1HG1 ILE 19 2.771 -3.219 -2.596
145 HG13 ILE 19 2HG1 ILE 19 4.118 -4.025 -1.822
146 HG21 ILE 19 1HG2 ILE 19 3.359 -1.110 -2.765
147 HG22 ILE 19 2HG2 ILE 19 5.034 -1.313 -2.242
148 HG23 ILE 19 3HG2 ILE 19 3.999 -0.125 -1.454
149 HD11 ILE 19 3HD1 ILE 19 2.286 -5.315 -1.157
150 HD12 ILE 19 1HD1 ILE 19 1.257 -3.900 -0.948
151 HD13 ILE 19 2HD1 ILE 19 2.534 -4.246 0.219
152 H GLU 20 H GLU 20 4.021 -0.340 1.517
153 HA GLU 20 HA GLU 20 5.711 1.662 0.567
154 HB2 GLU 20 1HB GLU 20 3.800 1.625 2.412
155 HB3 GLU 20 2HB GLU 20 5.158 1.517 3.518
156 HG2 GLU 20 1HG GLU 20 4.661 3.860 3.242
157 HG3 GLU 20 2HG GLU 20 6.147 3.542 2.347
158 H ARG 21 H ARG 21 6.369 -0.846 2.952
159 HA ARG 21 HA ARG 21 9.054 0.176 3.537
160 HB2 ARG 21 1HB ARG 21 7.450 -2.247 4.364
161 HB3 ARG 21 2HB ARG 21 9.176 -2.190 4.684
162 HG2 ARG 21 1HG ARG 21 8.294 -1.304 6.661
163 HG3 ARG 21 2HG ARG 21 8.644 0.160 5.753
164 HD2 ARG 21 1HD ARG 21 6.195 -0.080 4.884
165 HD3 ARG 21 2HD ARG 21 5.986 -1.160 6.259
166 HE ARG 21 HE ARG 21 6.134 0.717 7.699
167 HH11 ARG 21 1HH2 ARG 21 7.119 1.427 4.472
168 HH12 ARG 21 2HH2 ARG 21 7.207 3.136 4.732
169 HH21 ARG 21 1HH1 ARG 21 6.241 2.947 8.058
170 HH22 ARG 21 2HH1 ARG 21 6.709 3.997 6.763
171 H LEU 22 H LEU 22 7.616 -2.397 1.553
172 HA LEU 22 HA LEU 22 10.120 -3.620 0.821
173 HB2 LEU 22 1HB LEU 22 7.588 -3.563 -0.838
174 HB3 LEU 22 2HB LEU 22 8.877 -4.743 -0.906
175 HG LEU 22 HG LEU 22 6.789 -4.395 1.182
176 HD11 LEU 22 1HD1 LEU 22 7.939 -6.791 -0.231
177 HD12 LEU 22 2HD1 LEU 22 6.418 -5.994 -0.633
178 HD13 LEU 22 3HD1 LEU 22 6.594 -6.831 0.909
179 HD21 LEU 22 3HD2 LEU 22 8.778 -4.440 2.545
180 HD22 LEU 22 1HD2 LEU 22 9.476 -5.725 1.559
181 HD23 LEU 22 2HD2 LEU 22 8.084 -6.057 2.586
182 H CYS 23 H CYS 23 8.024 -1.361 -1.014
183 HA CYS 23 HA CYS 23 9.601 -0.945 -3.257
184 HB2 CYS 23 1HB CYS 23 8.770 1.444 -3.194
185 HB3 CYS 23 2HB CYS 23 7.508 0.219 -3.070
186 HG CYS 23 HG CYS 23 7.177 0.788 -0.618
187 H GLN 24 H GLN 24 9.916 0.907 -0.198
188 HA GLN 24 HA GLN 24 12.127 2.472 -0.842
189 HB2 GLN 24 1HB GLN 24 11.235 1.132 1.710
190 HB3 GLN 24 2HB GLN 24 12.712 2.084 1.677
191 HG2 GLN 24 1HG GLN 24 11.559 4.075 1.097
192 HG3 GLN 24 2HG GLN 24 10.106 3.189 0.629
193 HE21 GLN 24 2HE2 GLN 24 9.222 4.909 2.304
194 HE22 GLN 24 1HE2 GLN 24 9.161 4.398 3.921
195 H HIS 25 H HIS 25 11.944 -0.958 -0.294
196 HA HIS 25 HA HIS 25 14.904 -1.237 -0.271
197 HB2 HIS 25 1HB HIS 25 13.062 -2.546 1.177
198 HB3 HIS 25 2HB HIS 25 13.026 -3.589 -0.232
199 HD1 HIS 25 HD1 HIS 25 15.924 -1.887 1.602
200 HD2 HIS 25 HD2 HIS 25 14.754 -5.675 0.303
201 HE1 HIS 25 HE1 HIS 25 17.821 -3.464 2.186
202 HE2 HIS 25 HE2 HIS 25 17.118 -5.771 1.399
203 H TYR 26 H TYR 26 12.162 -2.779 -1.928
204 HA TYR 26 HA TYR 26 13.557 -4.004 -4.014
205 HB2 TYR 26 1HB TYR 26 10.757 -2.934 -3.761
206 HB3 TYR 26 2HB TYR 26 11.296 -3.599 -5.299
207 HD1 TYR 26 HD2 TYR 26 11.074 -4.395 -1.650
208 HD2 TYR 26 HD1 TYR 26 11.328 -5.937 -5.652
209 HE1 TYR 26 HE2 TYR 26 10.698 -6.689 -0.789
210 HE2 TYR 26 HE1 TYR 26 10.955 -8.232 -4.789
211 HH TYR 26 HH TYR 26 9.649 -9.052 -2.254
212 H ILE 27 H ILE 27 11.695 -0.959 -4.630
213 HA ILE 27 HA ILE 27 13.575 -0.416 -6.851
214 HB ILE 27 HB ILE 27 11.082 -0.257 -7.157
215 HG12 ILE 27 1HG1 ILE 27 12.561 2.337 -7.577
216 HG13 ILE 27 2HG1 ILE 27 12.758 0.920 -8.592
217 HG21 ILE 27 1HG2 ILE 27 10.739 0.778 -4.883
218 HG22 ILE 27 2HG2 ILE 27 9.871 1.531 -6.220
219 HG23 ILE 27 3HG2 ILE 27 11.325 2.273 -5.589
220 HD11 ILE 27 3HD1 ILE 27 10.217 2.497 -8.156
221 HD12 ILE 27 1HD1 ILE 27 10.280 0.954 -9.008
222 HD13 ILE 27 2HD1 ILE 27 11.134 2.354 -9.657
223 H GLY 28 H GLY 28 12.476 1.096 -3.820
224 HA2 GLY 28 1HA GLY 28 14.331 2.259 -2.544
225 HA3 GLY 28 2HA GLY 28 14.760 3.038 -4.062
226 H TRP 29 H TRP 29 12.213 3.634 -5.015
227 HA TRP 29 HA TRP 29 11.190 5.608 -2.993
228 HB2 TRP 29 1HB TRP 29 10.701 7.106 -4.869
229 HB3 TRP 29 2HB TRP 29 12.404 6.645 -4.914
230 HD1 TRP 29 HD1 TRP 29 12.857 4.340 -6.491
231 HE1 TRP 29 HE1 TRP 29 11.902 3.844 -8.833
232 HE3 TRP 29 HE3 TRP 29 8.928 7.597 -6.560
233 HZ2 TRP 29 HZ2 TRP 29 9.796 4.726 -10.522
234 HZ3 TRP 29 HZ3 TRP 29 7.470 7.758 -8.560
235 HH2 TRP 29 HH2 TRP 29 7.897 6.324 -10.540
236 H CYS 30 H CYS 30 8.869 6.376 -4.298
237 HA CYS 30 HA CYS 30 7.225 3.954 -3.992
238 HB2 CYS 30 1HB CYS 30 5.363 5.690 -4.397
239 HB3 CYS 30 2HB CYS 30 6.320 5.860 -2.928
240 HG CYS 30 HG CYS 30 6.543 7.697 -5.428
241 HA PRO 31 HA PRO 31 7.391 3.790 -8.555
242 HB2 PRO 31 1HB PRO 31 6.411 1.247 -8.882
243 HB3 PRO 31 2HB PRO 31 8.098 1.605 -8.488
244 HG2 PRO 31 1HG PRO 31 5.950 0.564 -6.749
245 HG3 PRO 31 2HG PRO 31 7.704 0.345 -6.640
246 HD2 PRO 31 1HD PRO 31 6.149 2.128 -5.074
247 HD3 PRO 31 2HD PRO 31 7.912 2.112 -5.202
248 H PHE 32 H PHE 32 4.615 2.874 -6.570
249 HA PHE 32 HA PHE 32 2.716 3.257 -8.762
250 HB2 PHE 32 1HB PHE 32 2.462 2.529 -5.843
251 HB3 PHE 32 2HB PHE 32 1.057 2.863 -6.845
252 HD1 PHE 32 HD1 PHE 32 0.572 1.452 -8.847
253 HD2 PHE 32 HD2 PHE 32 3.704 0.484 -6.073
254 HE1 PHE 32 HE1 PHE 32 0.657 -0.856 -9.751
255 HE2 PHE 32 HE2 PHE 32 3.791 -1.824 -6.976
256 HZ PHE 32 HZ PHE 32 2.268 -2.495 -8.815
257 H TRP 33 H TRP 33 2.669 4.577 -5.446
258 HA TRP 33 HA TRP 33 1.628 7.134 -6.534
259 HB2 TRP 33 1HB TRP 33 1.391 7.599 -3.987
260 HB3 TRP 33 2HB TRP 33 0.319 6.408 -4.714
261 HD1 TRP 33 HD1 TRP 33 3.256 6.757 -2.336
262 HE1 TRP 33 HE1 TRP 33 3.639 4.501 -1.139
263 HE3 TRP 33 HE3 TRP 33 0.046 3.802 -4.979
264 HZ2 TRP 33 HZ2 TRP 33 2.712 1.813 -1.291
265 HZ3 TRP 33 HZ3 TRP 33 -0.182 1.394 -4.441
266 HH2 TRP 33 HH2 TRP 33 1.145 0.394 -2.598
Start of MODEL 9
1 H1 ASN 1 1H ASN 1 -24.768 2.812 1.632
2 H2 ASN 1 2H ASN 1 -25.953 3.561 2.592
3 H3 ASN 1 3H ASN 1 -26.305 3.126 0.988
4 HA ASN 1 HA ASN 1 -27.332 1.500 2.327
5 HB2 ASN 1 1HB ASN 1 -24.676 0.290 1.532
6 HB3 ASN 1 2HB ASN 1 -26.260 -0.487 1.552
7 HD21 ASN 1 2HD2 ASN 1 -24.397 2.087 -0.121
8 HD22 ASN 1 1HD2 ASN 1 -25.293 2.013 -1.560
9 H GLU 2 H GLU 2 -26.075 -0.689 3.579
10 HA GLU 2 HA GLU 2 -25.659 0.400 6.228
11 HB2 GLU 2 1HB GLU 2 -25.001 -2.423 5.378
12 HB3 GLU 2 2HB GLU 2 -25.526 -1.855 6.963
13 HG2 GLU 2 1HG GLU 2 -27.184 -1.916 4.426
14 HG3 GLU 2 2HG GLU 2 -27.404 -2.935 5.848
15 H LEU 3 H LEU 3 -23.461 -1.883 4.605
16 HA LEU 3 HA LEU 3 -21.158 -0.897 6.000
17 HB2 LEU 3 1HB LEU 3 -21.174 -2.395 3.374
18 HB3 LEU 3 2HB LEU 3 -19.858 -2.304 4.541
19 HG LEU 3 HG LEU 3 -22.463 -3.818 4.741
20 HD11 LEU 3 1HD1 LEU 3 -19.556 -4.499 5.261
21 HD12 LEU 3 2HD1 LEU 3 -20.485 -4.950 3.832
22 HD13 LEU 3 3HD1 LEU 3 -20.905 -5.629 5.405
23 HD21 LEU 3 3HD2 LEU 3 -20.667 -2.934 7.023
24 HD22 LEU 3 1HD2 LEU 3 -21.784 -4.292 7.150
25 HD23 LEU 3 2HD2 LEU 3 -22.404 -2.667 6.861
26 H ASP 4 H ASP 4 -19.227 0.009 4.862
27 HA ASP 4 HA ASP 4 -19.967 2.324 3.290
28 HB2 ASP 4 1HB ASP 4 -17.406 1.151 4.292
29 HB3 ASP 4 2HB ASP 4 -17.339 2.389 3.051
30 H VAL 5 H VAL 5 -18.409 2.557 1.197
31 HA VAL 5 HA VAL 5 -19.034 0.153 -0.446
32 HB VAL 5 HB VAL 5 -19.032 3.093 -0.933
33 HG11 VAL 5 1HG1 VAL 5 -19.116 2.628 -3.414
34 HG12 VAL 5 2HG1 VAL 5 -18.547 0.996 -3.071
35 HG13 VAL 5 3HG1 VAL 5 -17.517 2.385 -2.703
36 HG21 VAL 5 3HG2 VAL 5 -21.036 1.689 -0.368
37 HG22 VAL 5 1HG2 VAL 5 -20.828 0.882 -1.928
38 HG23 VAL 5 2HG2 VAL 5 -21.176 2.612 -1.873
39 HA PRO 6 HA PRO 6 -14.597 0.870 -1.738
40 HB2 PRO 6 1HB PRO 6 -13.191 3.034 -1.144
41 HB3 PRO 6 2HB PRO 6 -14.574 3.181 -2.254
42 HG2 PRO 6 1HG PRO 6 -14.477 3.723 0.690
43 HG3 PRO 6 2HG PRO 6 -15.043 4.787 -0.618
44 HD2 PRO 6 1HD PRO 6 -16.761 3.202 0.822
45 HD3 PRO 6 2HD PRO 6 -17.024 3.646 -0.870
46 H GLU 7 H GLU 7 -15.583 0.143 0.990
47 HA GLU 7 HA GLU 7 -13.653 0.631 2.978
48 HB2 GLU 7 1HB GLU 7 -15.978 -0.929 2.764
49 HB3 GLU 7 2HB GLU 7 -14.728 -2.129 3.082
50 HG2 GLU 7 1HG GLU 7 -14.011 -0.857 5.069
51 HG3 GLU 7 2HG GLU 7 -15.239 0.364 4.733
52 H GLN 8 H GLN 8 -13.614 -1.819 0.391
53 HA GLN 8 HA GLN 8 -11.394 -3.319 1.242
54 HB2 GLN 8 1HB GLN 8 -11.653 -2.432 -1.635
55 HB3 GLN 8 2HB GLN 8 -11.127 -3.995 -1.004
56 HG2 GLN 8 1HG GLN 8 -13.520 -4.186 -0.028
57 HG3 GLN 8 2HG GLN 8 -13.925 -2.867 -1.128
58 HE21 GLN 8 2HE2 GLN 8 -12.889 -6.258 -0.989
59 HE22 GLN 8 1HE2 GLN 8 -13.208 -6.603 -2.622
60 H VAL 9 H VAL 9 -11.458 -0.229 -0.485
61 HA VAL 9 HA VAL 9 -8.784 0.317 -0.927
62 HB VAL 9 HB VAL 9 -10.808 2.210 0.288
63 HG11 VAL 9 1HG1 VAL 9 -8.803 3.346 0.439
64 HG12 VAL 9 2HG1 VAL 9 -9.396 3.855 -1.145
65 HG13 VAL 9 3HG1 VAL 9 -8.149 2.611 -1.031
66 HG21 VAL 9 3HG2 VAL 9 -11.135 2.833 -2.166
67 HG22 VAL 9 1HG2 VAL 9 -11.805 1.282 -1.650
68 HG23 VAL 9 2HG2 VAL 9 -10.285 1.336 -2.550
69 H ASP 10 H ASP 10 -10.450 1.570 1.917
70 HA ASP 10 HA ASP 10 -8.303 2.233 3.518
71 HB2 ASP 10 1HB ASP 10 -10.563 2.727 4.155
72 HB3 ASP 10 2HB ASP 10 -10.984 1.013 4.237
73 H LYS 11 H LYS 11 -9.530 -0.990 2.840
74 HA LYS 11 HA LYS 11 -7.772 -2.229 4.845
75 HB2 LYS 11 1HB LYS 11 -9.399 -3.502 2.625
76 HB3 LYS 11 2HB LYS 11 -8.601 -4.359 3.939
77 HG2 LYS 11 1HG LYS 11 -10.022 -3.210 5.572
78 HG3 LYS 11 2HG LYS 11 -10.783 -2.294 4.277
79 HD2 LYS 11 1HD LYS 11 -11.459 -4.512 3.247
80 HD3 LYS 11 2HD LYS 11 -10.903 -5.284 4.731
81 HE2 LYS 11 1HE LYS 11 -12.898 -3.024 4.789
82 HE3 LYS 11 2HE LYS 11 -13.404 -4.696 4.580
83 HZ1 LYS 11 3HZ LYS 11 -12.513 -5.291 6.649
84 HZ2 LYS 11 1HZ LYS 11 -13.332 -3.832 6.931
85 HZ3 LYS 11 2HZ LYS 11 -11.638 -3.842 6.795
86 H LEU 12 H LEU 12 -7.908 -1.698 1.356
87 HA LEU 12 HA LEU 12 -5.619 -3.201 0.619
88 HB2 LEU 12 1HB LEU 12 -6.775 -0.685 -0.454
89 HB3 LEU 12 2HB LEU 12 -5.461 -1.512 -1.209
90 HG LEU 12 HG LEU 12 -8.291 -2.005 -1.463
91 HD11 LEU 12 1HD1 LEU 12 -5.867 -3.290 -2.686
92 HD12 LEU 12 2HD1 LEU 12 -6.703 -1.859 -3.295
93 HD13 LEU 12 3HD1 LEU 12 -7.510 -3.430 -3.320
94 HD21 LEU 12 3HD2 LEU 12 -6.729 -4.516 -0.818
95 HD22 LEU 12 1HD2 LEU 12 -8.428 -4.397 -1.252
96 HD23 LEU 12 2HD2 LEU 12 -7.884 -3.789 0.301
97 H ILE 13 H ILE 13 -5.955 0.224 1.434
98 HA ILE 13 HA ILE 13 -3.378 1.133 1.446
99 HB ILE 13 HB ILE 13 -5.788 1.544 3.160
100 HG12 ILE 13 1HG1 ILE 13 -5.485 3.856 2.361
101 HG13 ILE 13 2HG1 ILE 13 -4.017 3.374 1.527
102 HG21 ILE 13 1HG2 ILE 13 -3.026 2.499 3.900
103 HG22 ILE 13 2HG2 ILE 13 -4.224 1.697 4.921
104 HG23 ILE 13 3HG2 ILE 13 -4.482 3.367 4.406
105 HD11 ILE 13 3HD1 ILE 13 -5.911 3.419 -0.025
106 HD12 ILE 13 1HD1 ILE 13 -6.804 2.322 1.019
107 HD13 ILE 13 2HD1 ILE 13 -5.351 1.764 0.191
108 H GLN 14 H GLN 14 -4.886 -0.864 3.992
109 HA GLN 14 HA GLN 14 -2.668 -0.903 5.747
110 HB2 GLN 14 1HB GLN 14 -4.738 -3.067 5.322
111 HB3 GLN 14 2HB GLN 14 -3.694 -2.884 6.716
112 HG2 GLN 14 1HG GLN 14 -4.716 -0.814 7.343
113 HG3 GLN 14 2HG GLN 14 -5.608 -0.743 5.827
114 HE21 GLN 14 2HE2 GLN 14 -7.503 -0.598 7.495
115 HE22 GLN 14 1HE2 GLN 14 -8.169 -2.070 8.015
116 H GLN 15 H GLN 15 -3.590 -3.269 3.193
117 HA GLN 15 HA GLN 15 -1.083 -4.702 3.651
118 HB2 GLN 15 1HB GLN 15 -1.684 -6.183 1.884
119 HB3 GLN 15 2HB GLN 15 -3.172 -5.819 2.746
120 HG2 GLN 15 1HG GLN 15 -3.777 -5.628 0.482
121 HG3 GLN 15 2HG GLN 15 -3.502 -3.974 0.980
122 HE21 GLN 15 2HE2 GLN 15 -2.876 -3.202 -1.124
123 HE22 GLN 15 1HE2 GLN 15 -1.433 -3.698 -1.872
124 H ALA 16 H ALA 16 -1.831 -1.822 2.161
125 HA ALA 16 HA ALA 16 0.265 -1.982 0.067
126 HB1 ALA 16 3HB ALA 16 -1.952 -0.641 -0.097
127 HB2 ALA 16 1HB ALA 16 -0.473 0.179 -0.593
128 HB3 ALA 16 2HB ALA 16 -1.182 0.519 0.987
129 H THR 17 H THR 17 -0.280 -0.496 3.273
130 HA THR 17 HA THR 17 1.976 1.130 3.448
131 HB THR 17 HB THR 17 0.688 -0.649 5.540
132 HG1 THR 17 HG1 THR 17 0.111 1.789 6.007
133 HG21 THR 17 3HG2 THR 17 1.731 1.047 7.104
134 HG22 THR 17 1HG2 THR 17 2.713 1.568 5.738
135 HG23 THR 17 2HG2 THR 17 2.849 -0.081 6.340
136 H SER 18 H SER 18 1.675 -2.378 3.696
137 HA SER 18 HA SER 18 4.359 -2.882 4.586
138 HB2 SER 18 1HB SER 18 3.829 -5.166 3.393
139 HB3 SER 18 2HB SER 18 2.924 -4.721 4.834
140 HG SER 18 HG SER 18 2.154 -4.724 2.139
141 H ILE 19 H ILE 19 2.821 -2.915 1.359
142 HA ILE 19 HA ILE 19 5.061 -3.479 -0.204
143 HB ILE 19 HB ILE 19 2.485 -1.987 -0.566
144 HG12 ILE 19 1HG1 ILE 19 2.432 -3.694 -2.559
145 HG13 ILE 19 2HG1 ILE 19 3.763 -4.454 -1.713
146 HG21 ILE 19 1HG2 ILE 19 4.786 -1.859 -2.491
147 HG22 ILE 19 2HG2 ILE 19 3.820 -0.537 -1.835
148 HG23 ILE 19 3HG2 ILE 19 3.109 -1.647 -3.003
149 HD11 ILE 19 3HD1 ILE 19 0.947 -4.052 -0.766
150 HD12 ILE 19 1HD1 ILE 19 2.258 -4.376 0.368
151 HD13 ILE 19 2HD1 ILE 19 1.862 -5.555 -0.881
152 H GLU 20 H GLU 20 4.461 -0.747 1.778
153 HA GLU 20 HA GLU 20 5.968 1.213 0.291
154 HB2 GLU 20 1HB GLU 20 4.343 1.617 2.247
155 HB3 GLU 20 2HB GLU 20 5.681 1.158 3.300
156 HG2 GLU 20 1HG GLU 20 5.819 3.528 3.120
157 HG3 GLU 20 2HG GLU 20 7.071 2.908 2.043
158 H ARG 21 H ARG 21 6.866 -0.613 3.241
159 HA ARG 21 HA ARG 21 9.586 0.117 3.240
160 HB2 ARG 21 1HB ARG 21 8.496 -2.557 4.158
161 HB3 ARG 21 2HB ARG 21 9.958 -1.757 4.703
162 HG2 ARG 21 1HG ARG 21 8.515 -1.160 6.425
163 HG3 ARG 21 2HG ARG 21 8.322 0.218 5.349
164 HD2 ARG 21 1HD ARG 21 6.094 -0.218 5.222
165 HD3 ARG 21 2HD ARG 21 6.421 -1.813 4.554
166 HE ARG 21 HE ARG 21 5.788 -1.209 7.350
167 HH11 ARG 21 1HH2 ARG 21 7.169 -3.381 5.052
168 HH12 ARG 21 2HH2 ARG 21 6.995 -4.773 6.067
169 HH21 ARG 21 1HH1 ARG 21 5.556 -3.015 8.685
170 HH22 ARG 21 2HH1 ARG 21 6.081 -4.566 8.122
171 H LEU 22 H LEU 22 7.889 -2.334 1.368
172 HA LEU 22 HA LEU 22 10.284 -3.704 0.476
173 HB2 LEU 22 1HB LEU 22 7.643 -3.577 -0.986
174 HB3 LEU 22 2HB LEU 22 8.859 -4.833 -1.066
175 HG LEU 22 HG LEU 22 6.990 -4.219 1.169
176 HD11 LEU 22 1HD1 LEU 22 6.249 -5.800 -0.539
177 HD12 LEU 22 2HD1 LEU 22 6.533 -6.641 0.986
178 HD13 LEU 22 3HD1 LEU 22 7.724 -6.739 -0.311
179 HD21 LEU 22 3HD2 LEU 22 8.273 -6.020 2.452
180 HD22 LEU 22 1HD2 LEU 22 9.071 -4.453 2.337
181 HD23 LEU 22 2HD2 LEU 22 9.575 -5.778 1.288
182 H CYS 23 H CYS 23 8.028 -1.653 -1.398
183 HA CYS 23 HA CYS 23 9.654 -1.223 -3.623
184 HB2 CYS 23 1HB CYS 23 8.186 0.475 -4.194
185 HB3 CYS 23 2HB CYS 23 7.222 -0.390 -3.010
186 HG CYS 23 HG CYS 23 8.102 1.441 -1.219
187 H GLN 24 H GLN 24 9.644 0.676 -0.585
188 HA GLN 24 HA GLN 24 11.599 2.572 -1.270
189 HB2 GLN 24 1HB GLN 24 10.916 1.172 1.319
190 HB3 GLN 24 2HB GLN 24 12.198 2.373 1.244
191 HG2 GLN 24 1HG GLN 24 10.555 3.993 0.262
192 HG3 GLN 24 2HG GLN 24 9.288 2.795 0.527
193 HE21 GLN 24 2HE2 GLN 24 8.683 2.306 2.761
194 HE22 GLN 24 1HE2 GLN 24 9.147 3.321 4.040
195 H HIS 25 H HIS 25 11.881 -0.835 -0.570
196 HA HIS 25 HA HIS 25 14.850 -0.704 -0.518
197 HB2 HIS 25 1HB HIS 25 13.252 -2.188 0.994
198 HB3 HIS 25 2HB HIS 25 13.262 -3.269 -0.389
199 HD1 HIS 25 HD1 HIS 25 15.544 -4.358 -1.051
200 HD2 HIS 25 HD2 HIS 25 15.716 -2.043 2.415
201 HE1 HIS 25 HE1 HIS 25 17.749 -4.908 0.071
202 HE2 HIS 25 HE2 HIS 25 17.863 -3.504 2.181
203 H TYR 26 H TYR 26 12.450 -2.798 -2.100
204 HA TYR 26 HA TYR 26 13.942 -3.930 -4.103
205 HB2 TYR 26 1HB TYR 26 11.103 -2.961 -4.042
206 HB3 TYR 26 2HB TYR 26 11.745 -3.601 -5.547
207 HD1 TYR 26 HD2 TYR 26 10.986 -4.384 -2.005
208 HD2 TYR 26 HD1 TYR 26 12.227 -5.951 -5.809
209 HE1 TYR 26 HE2 TYR 26 10.628 -6.692 -1.172
210 HE2 TYR 26 HE1 TYR 26 11.868 -8.258 -4.974
211 HH TYR 26 HH TYR 26 10.154 -8.946 -2.153
212 H ILE 27 H ILE 27 12.027 -0.975 -4.928
213 HA ILE 27 HA ILE 27 13.898 -0.482 -7.120
214 HB ILE 27 HB ILE 27 11.486 -0.036 -7.417
215 HG12 ILE 27 1HG1 ILE 27 13.156 2.462 -7.566
216 HG13 ILE 27 2HG1 ILE 27 13.275 1.137 -8.706
217 HG21 ILE 27 1HG2 ILE 27 11.968 2.085 -5.333
218 HG22 ILE 27 2HG2 ILE 27 10.841 0.741 -5.253
219 HG23 ILE 27 3HG2 ILE 27 10.574 2.049 -6.396
220 HD11 ILE 27 3HD1 ILE 27 10.890 2.909 -8.199
221 HD12 ILE 27 1HD1 ILE 27 10.798 1.417 -9.134
222 HD13 ILE 27 2HD1 ILE 27 11.809 2.749 -9.694
223 H GLY 28 H GLY 28 13.275 0.863 -3.930
224 HA2 GLY 28 1HA GLY 28 15.303 1.829 -2.796
225 HA3 GLY 28 2HA GLY 28 15.637 2.683 -4.299
226 H TRP 29 H TRP 29 12.987 3.486 -4.913
227 HA TRP 29 HA TRP 29 12.338 5.360 -2.657
228 HB2 TRP 29 1HB TRP 29 11.853 7.070 -4.351
229 HB3 TRP 29 2HB TRP 29 13.513 6.501 -4.514
230 HD1 TRP 29 HD1 TRP 29 13.724 4.314 -6.310
231 HE1 TRP 29 HE1 TRP 29 12.670 4.136 -8.657
232 HE3 TRP 29 HE3 TRP 29 10.090 7.881 -5.933
233 HZ2 TRP 29 HZ2 TRP 29 10.600 5.348 -10.176
234 HZ3 TRP 29 HZ3 TRP 29 8.595 8.354 -7.855
235 HH2 TRP 29 HH2 TRP 29 8.843 7.087 -9.974
236 H CYS 30 H CYS 30 10.090 6.484 -4.035
237 HA CYS 30 HA CYS 30 8.171 4.250 -3.685
238 HB2 CYS 30 1HB CYS 30 6.531 6.272 -3.917
239 HB3 CYS 30 2HB CYS 30 7.488 6.115 -2.446
240 HG CYS 30 HG CYS 30 7.592 8.501 -4.116
241 HA PRO 31 HA PRO 31 8.159 4.412 -8.269
242 HB2 PRO 31 1HB PRO 31 7.026 1.959 -8.716
243 HB3 PRO 31 2HB PRO 31 8.739 2.189 -8.367
244 HG2 PRO 31 1HG PRO 31 6.588 1.190 -6.603
245 HG3 PRO 31 2HG PRO 31 8.320 0.816 -6.601
246 HD2 PRO 31 1HD PRO 31 7.020 2.586 -4.829
247 HD3 PRO 31 2HD PRO 31 8.767 2.483 -5.085
248 H PHE 32 H PHE 32 5.401 3.232 -6.364
249 HA PHE 32 HA PHE 32 3.459 3.954 -8.394
250 HB2 PHE 32 1HB PHE 32 3.208 3.028 -5.528
251 HB3 PHE 32 2HB PHE 32 1.834 3.296 -6.597
252 HD1 PHE 32 HD2 PHE 32 1.741 2.000 -8.805
253 HD2 PHE 32 HD1 PHE 32 4.441 1.008 -5.614
254 HE1 PHE 32 HE2 PHE 32 2.059 -0.260 -9.777
255 HE2 PHE 32 HE1 PHE 32 4.761 -1.251 -6.588
256 HZ PHE 32 HZ PHE 32 3.569 -1.884 -8.668
257 H TRP 33 H TRP 33 3.618 4.933 -4.966
258 HA TRP 33 HA TRP 33 2.600 7.625 -5.753
259 HB2 TRP 33 1HB TRP 33 2.274 7.761 -3.183
260 HB3 TRP 33 2HB TRP 33 1.201 6.705 -4.092
261 HD1 TRP 33 HD1 TRP 33 4.137 6.641 -1.664
262 HE1 TRP 33 HE1 TRP 33 4.393 4.248 -0.735
263 HE3 TRP 33 HE3 TRP 33 0.765 4.178 -4.603
264 HZ2 TRP 33 HZ2 TRP 33 3.317 1.649 -1.173
265 HZ3 TRP 33 HZ3 TRP 33 0.403 1.743 -4.330
266 HH2 TRP 33 HH2 TRP 33 1.671 0.470 -2.615
Start of MODEL 10
1 H1 ASN 1 1H ASN 1 -26.240 1.529 0.813
2 H2 ASN 1 2H ASN 1 -26.791 1.128 2.370
3 H3 ASN 1 3H ASN 1 -27.460 0.366 1.006
4 HA ASN 1 HA ASN 1 -26.001 -1.264 1.265
5 HB2 ASN 1 1HB ASN 1 -24.846 0.230 -0.445
6 HB3 ASN 1 2HB ASN 1 -23.850 0.831 0.880
7 HD21 ASN 1 2HD2 ASN 1 -22.127 -0.501 1.613
8 HD22 ASN 1 1HD2 ASN 1 -21.794 -2.037 0.972
9 H GLU 2 H GLU 2 -25.354 -2.301 3.084
10 HA GLU 2 HA GLU 2 -24.916 -0.871 5.544
11 HB2 GLU 2 1HB GLU 2 -23.876 -3.657 5.462
12 HB3 GLU 2 2HB GLU 2 -25.072 -2.938 6.536
13 HG2 GLU 2 1HG GLU 2 -26.329 -4.489 5.309
14 HG3 GLU 2 2HG GLU 2 -26.640 -2.981 4.456
15 H LEU 3 H LEU 3 -22.658 -3.147 4.023
16 HA LEU 3 HA LEU 3 -20.302 -2.256 5.255
17 HB2 LEU 3 1HB LEU 3 -20.491 -3.100 2.356
18 HB3 LEU 3 2HB LEU 3 -19.076 -3.197 3.400
19 HG LEU 3 HG LEU 3 -21.607 -4.850 3.513
20 HD11 LEU 3 1HD1 LEU 3 -19.940 -6.690 3.494
21 HD12 LEU 3 2HD1 LEU 3 -18.648 -5.489 3.435
22 HD13 LEU 3 3HD1 LEU 3 -19.778 -5.636 2.088
23 HD21 LEU 3 3HD2 LEU 3 -19.530 -4.415 5.679
24 HD22 LEU 3 1HD2 LEU 3 -20.529 -5.865 5.612
25 HD23 LEU 3 2HD2 LEU 3 -21.285 -4.287 5.821
26 H ASP 4 H ASP 4 -18.557 -0.895 4.409
27 HA ASP 4 HA ASP 4 -19.531 1.612 3.354
28 HB2 ASP 4 1HB ASP 4 -16.805 0.520 3.951
29 HB3 ASP 4 2HB ASP 4 -17.018 2.094 3.210
30 H VAL 5 H VAL 5 -18.168 2.467 1.345
31 HA VAL 5 HA VAL 5 -18.551 0.402 -0.759
32 HB VAL 5 HB VAL 5 -18.800 3.369 -0.616
33 HG11 VAL 5 1HG1 VAL 5 -17.238 3.186 -2.475
34 HG12 VAL 5 2HG1 VAL 5 -18.859 3.437 -3.140
35 HG13 VAL 5 3HG1 VAL 5 -18.148 1.824 -3.145
36 HG21 VAL 5 3HG2 VAL 5 -20.904 2.922 -1.647
37 HG22 VAL 5 1HG2 VAL 5 -20.670 1.696 -0.392
38 HG23 VAL 5 2HG2 VAL 5 -20.408 1.289 -2.095
39 HA PRO 6 HA PRO 6 -14.204 1.781 -1.845
40 HB2 PRO 6 1HB PRO 6 -12.971 3.830 -0.711
41 HB3 PRO 6 2HB PRO 6 -14.353 4.144 -1.789
42 HG2 PRO 6 1HG PRO 6 -14.315 3.959 1.203
43 HG3 PRO 6 2HG PRO 6 -14.958 5.262 0.175
44 HD2 PRO 6 1HD PRO 6 -16.553 3.263 1.147
45 HD3 PRO 6 2HD PRO 6 -16.830 4.064 -0.406
46 H GLU 7 H GLU 7 -15.207 0.484 0.723
47 HA GLU 7 HA GLU 7 -13.315 0.504 2.751
48 HB2 GLU 7 1HB GLU 7 -15.549 -0.997 2.226
49 HB3 GLU 7 2HB GLU 7 -14.303 -2.217 1.993
50 HG2 GLU 7 1HG GLU 7 -13.348 -1.494 4.240
51 HG3 GLU 7 2HG GLU 7 -14.817 -0.546 4.456
52 H GLN 8 H GLN 8 -13.046 -1.052 -0.420
53 HA GLN 8 HA GLN 8 -10.795 -2.684 0.010
54 HB2 GLN 8 1HB GLN 8 -11.046 -0.852 -2.381
55 HB3 GLN 8 2HB GLN 8 -10.283 -2.442 -2.306
56 HG2 GLN 8 1HG GLN 8 -13.227 -1.820 -2.035
57 HG3 GLN 8 2HG GLN 8 -12.437 -2.689 -3.341
58 HE21 GLN 8 2HE2 GLN 8 -13.122 -2.920 0.166
59 HE22 GLN 8 1HE2 GLN 8 -13.046 -4.615 0.225
60 H VAL 9 H VAL 9 -10.984 0.776 -0.613
61 HA VAL 9 HA VAL 9 -8.330 1.586 -0.634
62 HB VAL 9 HB VAL 9 -10.634 2.853 0.870
63 HG11 VAL 9 1HG1 VAL 9 -9.258 4.963 0.384
64 HG12 VAL 9 2HG1 VAL 9 -7.907 3.862 0.105
65 HG13 VAL 9 3HG1 VAL 9 -8.705 3.901 1.682
66 HG21 VAL 9 3HG2 VAL 9 -11.214 2.563 -1.438
67 HG22 VAL 9 1HG2 VAL 9 -9.631 3.137 -1.967
68 HG23 VAL 9 2HG2 VAL 9 -10.768 4.258 -1.218
69 H ASP 10 H ASP 10 -10.280 1.765 2.315
70 HA ASP 10 HA ASP 10 -8.239 1.983 4.187
71 HB2 ASP 10 1HB ASP 10 -10.572 2.147 4.815
72 HB3 ASP 10 2HB ASP 10 -10.854 0.457 4.386
73 H LYS 11 H LYS 11 -9.411 -0.953 2.607
74 HA LYS 11 HA LYS 11 -7.695 -2.714 4.160
75 HB2 LYS 11 1HB LYS 11 -9.048 -3.162 1.486
76 HB3 LYS 11 2HB LYS 11 -8.266 -4.410 2.449
77 HG2 LYS 11 1HG LYS 11 -9.853 -3.965 4.290
78 HG3 LYS 11 2HG LYS 11 -10.654 -2.751 3.301
79 HD2 LYS 11 1HD LYS 11 -10.966 -4.591 1.548
80 HD3 LYS 11 2HD LYS 11 -10.493 -5.728 2.814
81 HE2 LYS 11 1HE LYS 11 -12.322 -4.598 4.248
82 HE3 LYS 11 2HE LYS 11 -12.897 -3.915 2.726
83 HZ1 LYS 11 3HZ LYS 11 -12.545 -6.799 3.333
84 HZ2 LYS 11 1HZ LYS 11 -13.024 -6.174 1.830
85 HZ3 LYS 11 2HZ LYS 11 -14.024 -5.977 3.189
86 H LEU 12 H LEU 12 -7.553 -1.148 0.987
87 HA LEU 12 HA LEU 12 -5.142 -2.245 0.032
88 HB2 LEU 12 1HB LEU 12 -6.329 0.462 -0.273
89 HB3 LEU 12 2HB LEU 12 -4.922 -0.055 -1.137
90 HG LEU 12 HG LEU 12 -7.692 -0.477 -1.793
91 HD11 LEU 12 1HD1 LEU 12 -5.956 0.219 -3.338
92 HD12 LEU 12 2HD1 LEU 12 -6.704 -1.275 -3.909
93 HD13 LEU 12 3HD1 LEU 12 -5.127 -1.322 -3.110
94 HD21 LEU 12 3HD2 LEU 12 -6.123 -3.065 -1.792
95 HD22 LEU 12 1HD2 LEU 12 -7.778 -2.819 -2.327
96 HD23 LEU 12 2HD2 LEU 12 -7.391 -2.713 -0.620
97 H ILE 13 H ILE 13 -5.665 0.738 1.842
98 HA ILE 13 HA ILE 13 -3.125 1.601 2.365
99 HB ILE 13 HB ILE 13 -5.701 1.501 3.869
100 HG12 ILE 13 1HG1 ILE 13 -5.363 3.953 3.831
101 HG13 ILE 13 2HG1 ILE 13 -3.829 3.722 3.009
102 HG21 ILE 13 1HG2 ILE 13 -4.567 2.881 5.717
103 HG22 ILE 13 2HG2 ILE 13 -3.050 2.179 5.138
104 HG23 ILE 13 3HG2 ILE 13 -4.335 1.130 5.753
105 HD11 ILE 13 3HD1 ILE 13 -5.533 4.237 1.363
106 HD12 ILE 13 1HD1 ILE 13 -6.581 2.975 2.002
107 HD13 ILE 13 2HD1 ILE 13 -5.082 2.546 1.179
108 H GLN 14 H GLN 14 -4.842 -0.914 4.257
109 HA GLN 14 HA GLN 14 -2.812 -1.487 6.087
110 HB2 GLN 14 1HB GLN 14 -4.815 -3.374 4.837
111 HB3 GLN 14 2HB GLN 14 -3.842 -3.736 6.253
112 HG2 GLN 14 1HG GLN 14 -4.810 -1.611 7.295
113 HG3 GLN 14 2HG GLN 14 -5.970 -1.633 5.973
114 HE21 GLN 14 2HE2 GLN 14 -7.888 -2.423 6.811
115 HE22 GLN 14 1HE2 GLN 14 -8.026 -3.808 7.785
116 H GLN 15 H GLN 15 -3.337 -2.989 2.890
117 HA GLN 15 HA GLN 15 -0.843 -4.490 3.169
118 HB2 GLN 15 1HB GLN 15 -1.190 -4.980 0.694
119 HB3 GLN 15 2HB GLN 15 -2.458 -5.543 1.775
120 HG2 GLN 15 1HG GLN 15 -3.789 -3.550 1.257
121 HG3 GLN 15 2HG GLN 15 -2.532 -2.994 0.150
122 HE21 GLN 15 2HE2 GLN 15 -3.892 -3.205 -1.762
123 HE22 GLN 15 1HE2 GLN 15 -4.370 -4.722 -2.353
124 H ALA 16 H ALA 16 -1.876 -1.435 1.848
125 HA ALA 16 HA ALA 16 0.407 -0.862 0.229
126 HB1 ALA 16 3HB ALA 16 -0.465 1.289 0.104
127 HB2 ALA 16 1HB ALA 16 -0.897 1.331 1.816
128 HB3 ALA 16 2HB ALA 16 -1.896 0.431 0.676
129 H THR 17 H THR 17 -0.224 -0.480 3.708
130 HA THR 17 HA THR 17 2.047 0.986 4.453
131 HB THR 17 HB THR 17 0.233 -0.999 5.755
132 HG1 THR 17 HG1 THR 17 0.749 1.093 7.235
133 HG21 THR 17 3HG2 THR 17 2.218 -1.829 6.722
134 HG22 THR 17 1HG2 THR 17 1.602 -0.674 7.901
135 HG23 THR 17 2HG2 THR 17 2.935 -0.225 6.839
136 H SER 18 H SER 18 1.685 -2.545 4.023
137 HA SER 18 HA SER 18 4.380 -3.200 4.701
138 HB2 SER 18 1HB SER 18 3.838 -5.346 4.015
139 HB3 SER 18 2HB SER 18 2.219 -4.691 4.221
140 HG SER 18 HG SER 18 2.601 -5.749 2.175
141 H ILE 19 H ILE 19 2.843 -2.542 1.526
142 HA ILE 19 HA ILE 19 5.074 -2.882 -0.121
143 HB ILE 19 HB ILE 19 2.624 -1.147 -0.164
144 HG12 ILE 19 1HG1 ILE 19 2.411 -2.426 -2.426
145 HG13 ILE 19 2HG1 ILE 19 3.694 -3.436 -1.798
146 HG21 ILE 19 1HG2 ILE 19 4.118 0.382 -1.150
147 HG22 ILE 19 2HG2 ILE 19 3.322 -0.417 -2.502
148 HG23 ILE 19 3HG2 ILE 19 4.959 -0.886 -2.041
149 HD11 ILE 19 3HD1 ILE 19 1.596 -4.474 -1.239
150 HD12 ILE 19 1HD1 ILE 19 0.990 -2.970 -0.549
151 HD13 ILE 19 2HD1 ILE 19 2.302 -3.840 0.244
152 H GLU 20 H GLU 20 4.089 -0.072 1.828
153 HA GLU 20 HA GLU 20 5.947 1.842 1.070
154 HB2 GLU 20 1HB GLU 20 4.123 1.758 3.002
155 HB3 GLU 20 2HB GLU 20 5.510 1.361 4.006
156 HG2 GLU 20 1HG GLU 20 6.582 3.467 2.726
157 HG3 GLU 20 2HG GLU 20 4.886 3.911 2.546
158 H ARG 21 H ARG 21 6.432 -0.947 3.180
159 HA ARG 21 HA ARG 21 9.217 -0.291 3.761
160 HB2 ARG 21 1HB ARG 21 7.377 -2.620 4.302
161 HB3 ARG 21 2HB ARG 21 9.109 -2.803 4.568
162 HG2 ARG 21 1HG ARG 21 7.911 -2.101 6.626
163 HG3 ARG 21 2HG ARG 21 9.106 -0.911 6.114
164 HD2 ARG 21 1HD ARG 21 7.376 0.477 5.128
165 HD3 ARG 21 2HD ARG 21 6.152 -0.756 5.448
166 HE ARG 21 HE ARG 21 7.540 0.115 7.860
167 HH11 ARG 21 1HH2 ARG 21 5.006 0.735 5.605
168 HH12 ARG 21 2HH2 ARG 21 4.057 1.653 6.724
169 HH21 ARG 21 1HH1 ARG 21 6.313 1.306 9.332
170 HH22 ARG 21 2HH1 ARG 21 4.795 1.975 8.833
171 H LEU 22 H LEU 22 7.516 -2.215 1.348
172 HA LEU 22 HA LEU 22 9.923 -3.618 0.480
173 HB2 LEU 22 1HB LEU 22 7.335 -3.292 -1.041
174 HB3 LEU 22 2HB LEU 22 8.545 -4.540 -1.244
175 HG LEU 22 HG LEU 22 6.650 -4.172 1.024
176 HD11 LEU 22 1HD1 LEU 22 7.358 -6.622 -0.566
177 HD12 LEU 22 2HD1 LEU 22 6.064 -5.519 -1.028
178 HD13 LEU 22 3HD1 LEU 22 5.967 -6.405 0.495
179 HD21 LEU 22 3HD2 LEU 22 9.203 -5.782 0.969
180 HD22 LEU 22 1HD2 LEU 22 7.879 -6.162 2.069
181 HD23 LEU 22 2HD2 LEU 22 8.698 -4.606 2.184
182 H CYS 23 H CYS 23 7.864 -1.189 -1.201
183 HA CYS 23 HA CYS 23 9.412 -0.664 -3.415
184 HB2 CYS 23 1HB CYS 23 8.734 1.839 -2.996
185 HB3 CYS 23 2HB CYS 23 7.471 0.639 -3.269
186 HG CYS 23 HG CYS 23 8.273 1.597 -0.402
187 H GLN 24 H GLN 24 9.960 0.838 -0.211
188 HA GLN 24 HA GLN 24 12.205 2.394 -0.817
189 HB2 GLN 24 1HB GLN 24 11.206 0.951 1.608
190 HB3 GLN 24 2HB GLN 24 12.863 1.522 1.671
191 HG2 GLN 24 1HG GLN 24 11.060 3.123 2.545
192 HG3 GLN 24 2HG GLN 24 12.208 3.789 1.388
193 HE21 GLN 24 2HE2 GLN 24 11.142 5.104 -0.083
194 HE22 GLN 24 1HE2 GLN 24 9.605 4.799 -0.735
195 H HIS 25 H HIS 25 12.066 -1.104 -0.144
196 HA HIS 25 HA HIS 25 14.986 -1.327 -0.666
197 HB2 HIS 25 1HB HIS 25 13.500 -2.557 1.190
198 HB3 HIS 25 2HB HIS 25 13.220 -3.702 -0.108
199 HD1 HIS 25 HD1 HIS 25 16.224 -3.115 -1.304
200 HD2 HIS 25 HD2 HIS 25 15.226 -4.445 2.522
201 HE1 HIS 25 HE1 HIS 25 18.279 -4.285 -0.391
202 HE2 HIS 25 HE2 HIS 25 17.682 -5.097 1.937
203 H TYR 26 H TYR 26 12.017 -2.978 -1.694
204 HA TYR 26 HA TYR 26 12.849 -4.487 -3.813
205 HB2 TYR 26 1HB TYR 26 10.364 -2.882 -3.325
206 HB3 TYR 26 2HB TYR 26 10.568 -3.599 -4.919
207 HD1 TYR 26 HD1 TYR 26 11.710 -4.941 -1.618
208 HD2 TYR 26 HD2 TYR 26 9.002 -5.378 -4.926
209 HE1 TYR 26 HE1 TYR 26 10.983 -7.136 -0.733
210 HE2 TYR 26 HE2 TYR 26 8.276 -7.576 -4.037
211 HH TYR 26 HH TYR 26 9.750 -8.946 -1.095
212 H ILE 27 H ILE 27 11.568 -1.199 -4.559
213 HA ILE 27 HA ILE 27 13.343 -1.178 -6.942
214 HB ILE 27 HB ILE 27 10.905 -0.719 -7.206
215 HG12 ILE 27 1HG1 ILE 27 12.586 1.702 -7.824
216 HG13 ILE 27 2HG1 ILE 27 12.693 0.198 -8.722
217 HG21 ILE 27 1HG2 ILE 27 9.967 1.333 -6.418
218 HG22 ILE 27 2HG2 ILE 27 11.503 1.816 -5.734
219 HG23 ILE 27 3HG2 ILE 27 10.634 0.461 -5.042
220 HD11 ILE 27 3HD1 ILE 27 11.157 1.697 -9.878
221 HD12 ILE 27 1HD1 ILE 27 10.220 1.914 -8.398
222 HD13 ILE 27 2HD1 ILE 27 10.252 0.344 -9.202
223 H GLY 28 H GLY 28 12.630 0.765 -4.046
224 HA2 GLY 28 1HA GLY 28 14.783 1.804 -3.073
225 HA3 GLY 28 2HA GLY 28 15.005 2.488 -4.682
226 H TRP 29 H TRP 29 12.455 3.190 -5.333
227 HA TRP 29 HA TRP 29 11.681 5.239 -3.280
228 HB2 TRP 29 1HB TRP 29 11.194 6.765 -5.108
229 HB3 TRP 29 2HB TRP 29 12.829 6.147 -5.344
230 HD1 TRP 29 HD1 TRP 29 12.872 3.803 -6.944
231 HE1 TRP 29 HE1 TRP 29 11.603 3.404 -9.154
232 HE3 TRP 29 HE3 TRP 29 9.290 7.419 -6.574
233 HZ2 TRP 29 HZ2 TRP 29 9.394 4.484 -10.582
234 HZ3 TRP 29 HZ3 TRP 29 7.619 7.718 -8.381
235 HH2 TRP 29 HH2 TRP 29 7.665 6.253 -10.383
236 H CYS 30 H CYS 30 9.277 6.054 -4.139
237 HA CYS 30 HA CYS 30 7.614 3.667 -3.889
238 HB2 CYS 30 1HB CYS 30 5.760 5.456 -4.123
239 HB3 CYS 30 2HB CYS 30 6.800 5.536 -2.703
240 HG CYS 30 HG CYS 30 7.015 7.902 -3.561
241 HA PRO 31 HA PRO 31 7.504 3.571 -8.438
242 HB2 PRO 31 1HB PRO 31 6.203 1.161 -8.740
243 HB3 PRO 31 2HB PRO 31 7.946 1.320 -8.462
244 HG2 PRO 31 1HG PRO 31 5.810 0.512 -6.579
245 HG3 PRO 31 2HG PRO 31 7.520 0.065 -6.610
246 HD2 PRO 31 1HD PRO 31 6.366 1.964 -4.882
247 HD3 PRO 31 2HD PRO 31 8.094 1.791 -5.212
248 H PHE 32 H PHE 32 4.762 3.218 -6.280
249 HA PHE 32 HA PHE 32 2.814 3.751 -8.419
250 HB2 PHE 32 1HB PHE 32 2.654 3.050 -5.501
251 HB3 PHE 32 2HB PHE 32 1.266 3.805 -6.278
252 HD1 PHE 32 HD1 PHE 32 3.771 1.239 -7.402
253 HD2 PHE 32 HD2 PHE 32 -0.366 2.211 -6.789
254 HE1 PHE 32 HE1 PHE 32 3.118 -0.950 -8.359
255 HE2 PHE 32 HE2 PHE 32 -1.020 0.022 -7.749
256 HZ PHE 32 HZ PHE 32 0.721 -1.560 -8.533
257 H TRP 33 H TRP 33 3.130 5.217 -5.173
258 HA TRP 33 HA TRP 33 2.322 7.817 -6.276
259 HB2 TRP 33 1HB TRP 33 2.700 8.483 -3.786
260 HB3 TRP 33 2HB TRP 33 1.358 7.407 -4.168
261 HD1 TRP 33 HD1 TRP 33 4.695 7.529 -2.405
262 HE1 TRP 33 HE1 TRP 33 5.080 5.298 -1.152
263 HE3 TRP 33 HE3 TRP 33 0.807 4.806 -4.256
264 HZ2 TRP 33 HZ2 TRP 33 3.894 2.713 -0.976
265 HZ3 TRP 33 HZ3 TRP 33 0.458 2.460 -3.547
266 HH2 TRP 33 HH2 TRP 33 1.990 1.410 -1.902
Start of MODEL 11
1 H1 ASN 1 1H ASN 1 -27.308 2.101 5.377
2 H2 ASN 1 2H ASN 1 -25.680 1.636 5.516
3 H3 ASN 1 3H ASN 1 -26.913 0.583 6.022
4 HA ASN 1 HA ASN 1 -27.721 0.472 3.701
5 HB2 ASN 1 1HB ASN 1 -25.985 1.210 1.993
6 HB3 ASN 1 2HB ASN 1 -26.835 2.521 2.813
7 HD21 ASN 1 2HD2 ASN 1 -25.283 4.150 3.091
8 HD22 ASN 1 1HD2 ASN 1 -23.739 3.905 3.754
9 H GLU 2 H GLU 2 -25.912 -0.638 1.937
10 HA GLU 2 HA GLU 2 -25.135 -3.048 3.345
11 HB2 GLU 2 1HB GLU 2 -24.270 -3.772 1.151
12 HB3 GLU 2 2HB GLU 2 -25.883 -3.081 0.987
13 HG2 GLU 2 1HG GLU 2 -24.797 -0.879 0.408
14 HG3 GLU 2 2HG GLU 2 -23.247 -1.721 0.369
15 H LEU 3 H LEU 3 -22.619 -3.383 1.761
16 HA LEU 3 HA LEU 3 -20.745 -2.540 3.733
17 HB2 LEU 3 1HB LEU 3 -20.121 -3.106 0.831
18 HB3 LEU 3 2HB LEU 3 -19.040 -3.267 2.214
19 HG LEU 3 HG LEU 3 -21.410 -4.996 1.479
20 HD11 LEU 3 1HD1 LEU 3 -19.223 -5.583 0.547
21 HD12 LEU 3 2HD1 LEU 3 -19.701 -6.776 1.755
22 HD13 LEU 3 3HD1 LEU 3 -18.510 -5.538 2.158
23 HD21 LEU 3 3HD2 LEU 3 -21.746 -4.646 3.829
24 HD22 LEU 3 1HD2 LEU 3 -20.014 -4.719 4.158
25 HD23 LEU 3 2HD2 LEU 3 -20.887 -6.181 3.697
26 H ASP 4 H ASP 4 -19.090 -0.905 3.579
27 HA ASP 4 HA ASP 4 -19.957 1.600 2.502
28 HB2 ASP 4 1HB ASP 4 -17.352 0.552 3.553
29 HB3 ASP 4 2HB ASP 4 -17.424 2.147 2.819
30 H VAL 5 H VAL 5 -18.064 2.655 0.897
31 HA VAL 5 HA VAL 5 -18.114 0.809 -1.441
32 HB VAL 5 HB VAL 5 -18.376 3.759 -1.095
33 HG11 VAL 5 1HG1 VAL 5 -18.016 4.019 -3.577
34 HG12 VAL 5 2HG1 VAL 5 -17.348 2.387 -3.601
35 HG13 VAL 5 3HG1 VAL 5 -16.527 3.664 -2.693
36 HG21 VAL 5 3HG2 VAL 5 -20.282 3.422 -2.497
37 HG22 VAL 5 1HG2 VAL 5 -20.269 2.117 -1.301
38 HG23 VAL 5 2HG2 VAL 5 -19.729 1.810 -2.958
39 HA PRO 6 HA PRO 6 -13.648 2.095 -1.593
40 HB2 PRO 6 1HB PRO 6 -12.596 4.126 -0.270
41 HB3 PRO 6 2HB PRO 6 -13.800 4.470 -1.540
42 HG2 PRO 6 1HG PRO 6 -14.221 4.229 1.417
43 HG3 PRO 6 2HG PRO 6 -14.688 5.560 0.333
44 HD2 PRO 6 1HD PRO 6 -16.435 3.538 1.005
45 HD3 PRO 6 2HD PRO 6 -16.479 4.400 -0.539
46 H GLU 7 H GLU 7 -15.083 0.805 0.777
47 HA GLU 7 HA GLU 7 -13.436 0.860 3.066
48 HB2 GLU 7 1HB GLU 7 -15.686 -0.612 2.215
49 HB3 GLU 7 2HB GLU 7 -14.469 -1.850 2.494
50 HG2 GLU 7 1HG GLU 7 -14.109 -1.037 4.767
51 HG3 GLU 7 2HG GLU 7 -15.216 0.308 4.489
52 H GLN 8 H GLN 8 -13.057 -0.956 0.043
53 HA GLN 8 HA GLN 8 -10.929 -2.635 0.839
54 HB2 GLN 8 1HB GLN 8 -10.891 -1.231 -1.837
55 HB3 GLN 8 2HB GLN 8 -10.441 -2.894 -1.453
56 HG2 GLN 8 1HG GLN 8 -12.923 -3.214 -0.793
57 HG3 GLN 8 2HG GLN 8 -13.208 -1.701 -1.655
58 HE21 GLN 8 2HE2 GLN 8 -12.066 -5.052 -2.075
59 HE22 GLN 8 1HE2 GLN 8 -12.266 -5.085 -3.761
60 H VAL 9 H VAL 9 -10.904 0.750 -0.211
61 HA VAL 9 HA VAL 9 -8.200 1.362 -0.278
62 HB VAL 9 HB VAL 9 -10.346 2.993 1.100
63 HG11 VAL 9 1HG1 VAL 9 -8.818 4.877 0.183
64 HG12 VAL 9 2HG1 VAL 9 -7.584 3.617 0.129
65 HG13 VAL 9 3HG1 VAL 9 -8.363 4.031 1.665
66 HG21 VAL 9 3HG2 VAL 9 -9.560 2.733 -1.801
67 HG22 VAL 9 1HG2 VAL 9 -10.454 4.123 -1.182
68 HG23 VAL 9 2HG2 VAL 9 -11.157 2.507 -1.080
69 H ASP 10 H ASP 10 -10.165 2.009 2.576
70 HA ASP 10 HA ASP 10 -8.177 2.303 4.479
71 HB2 ASP 10 1HB ASP 10 -10.483 2.715 4.989
72 HB3 ASP 10 2HB ASP 10 -10.931 1.036 4.657
73 H LYS 11 H LYS 11 -9.329 -0.694 3.049
74 HA LYS 11 HA LYS 11 -7.798 -2.344 4.940
75 HB2 LYS 11 1HB LYS 11 -9.205 -3.063 2.356
76 HB3 LYS 11 2HB LYS 11 -8.485 -4.218 3.474
77 HG2 LYS 11 1HG LYS 11 -10.020 -3.486 5.240
78 HG3 LYS 11 2HG LYS 11 -10.725 -2.294 4.154
79 HD2 LYS 11 1HD LYS 11 -11.234 -4.266 2.583
80 HD3 LYS 11 2HD LYS 11 -10.869 -5.306 3.961
81 HE2 LYS 11 1HE LYS 11 -12.555 -3.889 5.275
82 HE3 LYS 11 2HE LYS 11 -13.057 -3.243 3.714
83 HZ1 LYS 11 3HZ LYS 11 -13.992 -5.186 3.104
84 HZ2 LYS 11 1HZ LYS 11 -14.113 -5.422 4.779
85 HZ3 LYS 11 2HZ LYS 11 -12.839 -6.137 3.911
86 H LEU 12 H LEU 12 -7.580 -1.174 1.626
87 HA LEU 12 HA LEU 12 -5.245 -2.532 0.799
88 HB2 LEU 12 1HB LEU 12 -6.274 0.189 0.192
89 HB3 LEU 12 2HB LEU 12 -4.908 -0.504 -0.612
90 HG LEU 12 HG LEU 12 -7.706 -0.839 -1.206
91 HD11 LEU 12 1HD1 LEU 12 -6.782 -1.915 -3.229
92 HD12 LEU 12 2HD1 LEU 12 -5.200 -1.944 -2.440
93 HD13 LEU 12 3HD1 LEU 12 -5.963 -0.401 -2.832
94 HD21 LEU 12 3HD2 LEU 12 -6.270 -3.490 -0.939
95 HD22 LEU 12 1HD2 LEU 12 -7.916 -3.218 -1.486
96 HD23 LEU 12 2HD2 LEU 12 -7.505 -2.951 0.197
97 H ILE 13 H ILE 13 -5.586 0.683 2.230
98 HA ILE 13 HA ILE 13 -3.005 1.453 2.663
99 HB ILE 13 HB ILE 13 -5.565 1.661 4.184
100 HG12 ILE 13 1HG1 ILE 13 -5.092 4.075 3.859
101 HG13 ILE 13 2HG1 ILE 13 -3.602 3.659 3.028
102 HG21 ILE 13 1HG2 ILE 13 -4.184 1.452 6.080
103 HG22 ILE 13 2HG2 ILE 13 -4.332 3.194 5.836
104 HG23 ILE 13 3HG2 ILE 13 -2.862 2.348 5.323
105 HD11 ILE 13 3HD1 ILE 13 -5.386 4.081 1.410
106 HD12 ILE 13 1HD1 ILE 13 -6.410 2.895 2.208
107 HD13 ILE 13 2HD1 ILE 13 -4.947 2.376 1.372
108 H GLN 14 H GLN 14 -4.835 -0.741 4.833
109 HA GLN 14 HA GLN 14 -2.848 -1.229 6.724
110 HB2 GLN 14 1HB GLN 14 -4.797 -3.255 5.604
111 HB3 GLN 14 2HB GLN 14 -3.964 -3.353 7.145
112 HG2 GLN 14 1HG GLN 14 -5.141 -1.497 8.038
113 HG3 GLN 14 2HG GLN 14 -5.732 -1.030 6.449
114 HE21 GLN 14 2HE2 GLN 14 -7.855 -1.223 7.911
115 HE22 GLN 14 1HE2 GLN 14 -8.630 -2.732 7.849
116 H GLN 15 H GLN 15 -3.417 -2.993 3.689
117 HA GLN 15 HA GLN 15 -0.937 -4.516 4.082
118 HB2 GLN 15 1HB GLN 15 -1.449 -5.383 1.753
119 HB3 GLN 15 2HB GLN 15 -2.677 -5.707 2.970
120 HG2 GLN 15 1HG GLN 15 -3.988 -3.802 2.201
121 HG3 GLN 15 2HG GLN 15 -2.753 -3.412 1.003
122 HE21 GLN 15 2HE2 GLN 15 -4.134 -3.825 -0.843
123 HE22 GLN 15 1HE2 GLN 15 -4.669 -5.388 -1.234
124 H ALA 16 H ALA 16 -1.920 -1.597 2.505
125 HA ALA 16 HA ALA 16 0.177 -1.396 0.564
126 HB1 ALA 16 3HB ALA 16 -0.606 0.766 0.235
127 HB2 ALA 16 1HB ALA 16 -0.861 1.056 1.958
128 HB3 ALA 16 2HB ALA 16 -2.002 0.063 1.051
129 H THR 17 H THR 17 0.002 -0.368 3.992
130 HA THR 17 HA THR 17 2.393 1.044 4.188
131 HB THR 17 HB THR 17 0.812 -0.708 6.048
132 HG1 THR 17 HG1 THR 17 1.493 1.773 6.854
133 HG21 THR 17 3HG2 THR 17 2.402 0.105 7.874
134 HG22 THR 17 1HG2 THR 17 3.545 0.440 6.574
135 HG23 THR 17 2HG2 THR 17 2.979 -1.206 6.846
136 H SER 18 H SER 18 1.891 -2.482 4.180
137 HA SER 18 HA SER 18 4.654 -3.116 4.672
138 HB2 SER 18 1HB SER 18 4.004 -5.321 4.417
139 HB3 SER 18 2HB SER 18 2.439 -4.591 4.735
140 HG SER 18 HG SER 18 2.672 -6.013 2.819
141 H ILE 19 H ILE 19 2.722 -2.759 1.686
142 HA ILE 19 HA ILE 19 4.761 -3.446 -0.146
143 HB ILE 19 HB ILE 19 2.274 -1.756 -0.211
144 HG12 ILE 19 1HG1 ILE 19 1.835 -3.455 -2.151
145 HG13 ILE 19 2HG1 ILE 19 3.187 -4.330 -1.470
146 HG21 ILE 19 1HG2 ILE 19 3.595 -0.453 -1.644
147 HG22 ILE 19 2HG2 ILE 19 2.695 -1.515 -2.721
148 HG23 ILE 19 3HG2 ILE 19 4.384 -1.867 -2.341
149 HD11 ILE 19 3HD1 ILE 19 0.633 -3.589 -0.052
150 HD12 ILE 19 1HD1 ILE 19 2.030 -4.319 0.732
151 HD13 ILE 19 2HD1 ILE 19 1.158 -5.207 -0.510
152 H GLU 20 H GLU 20 4.471 -0.799 2.002
153 HA GLU 20 HA GLU 20 5.898 1.165 0.434
154 HB2 GLU 20 1HB GLU 20 4.386 1.509 2.518
155 HB3 GLU 20 2HB GLU 20 5.828 1.124 3.450
156 HG2 GLU 20 1HG GLU 20 5.842 3.495 3.234
157 HG3 GLU 20 2HG GLU 20 7.021 2.916 2.059
158 H ARG 21 H ARG 21 6.978 -0.757 3.284
159 HA ARG 21 HA ARG 21 9.719 0.006 2.899
160 HB2 ARG 21 1HB ARG 21 10.007 -2.208 4.403
161 HB3 ARG 21 2HB ARG 21 9.458 -0.683 5.075
162 HG2 ARG 21 1HG ARG 21 7.331 -2.466 3.946
163 HG3 ARG 21 2HG ARG 21 8.111 -3.024 5.419
164 HD2 ARG 21 1HD ARG 21 7.624 -0.718 6.414
165 HD3 ARG 21 2HD ARG 21 6.603 -0.429 5.008
166 HE ARG 21 HE ARG 21 4.999 -1.847 5.976
167 HH11 ARG 21 1HH2 ARG 21 8.139 -2.363 7.304
168 HH12 ARG 21 2HH2 ARG 21 7.588 -3.466 8.520
169 HH21 ARG 21 1HH1 ARG 21 4.262 -3.283 7.554
170 HH22 ARG 21 2HH1 ARG 21 5.392 -3.987 8.662
171 H LEU 22 H LEU 22 7.791 -2.198 1.156
172 HA LEU 22 HA LEU 22 9.983 -4.031 0.494
173 HB2 LEU 22 1HB LEU 22 7.221 -3.671 -0.695
174 HB3 LEU 22 2HB LEU 22 8.365 -4.891 -1.214
175 HG LEU 22 HG LEU 22 7.220 -4.628 1.528
176 HD11 LEU 22 1HD1 LEU 22 5.772 -5.530 -0.356
177 HD12 LEU 22 2HD1 LEU 22 5.978 -6.599 1.029
178 HD13 LEU 22 3HD1 LEU 22 6.908 -6.873 -0.443
179 HD21 LEU 22 3HD2 LEU 22 9.273 -5.588 2.034
180 HD22 LEU 22 1HD2 LEU 22 9.443 -6.305 0.432
181 HD23 LEU 22 2HD2 LEU 22 8.370 -7.041 1.623
182 H CYS 23 H CYS 23 7.977 -2.043 -1.675
183 HA CYS 23 HA CYS 23 9.883 -1.985 -3.769
184 HB2 CYS 23 1HB CYS 23 8.030 0.338 -3.352
185 HB3 CYS 23 2HB CYS 23 8.429 -0.535 -4.834
186 HG CYS 23 HG CYS 23 6.218 -1.294 -2.872
187 H GLN 24 H GLN 24 9.381 0.340 -1.090
188 HA GLN 24 HA GLN 24 11.126 2.369 -1.834
189 HB2 GLN 24 1HB GLN 24 10.582 1.098 0.853
190 HB3 GLN 24 2HB GLN 24 11.637 2.491 0.682
191 HG2 GLN 24 1HG GLN 24 8.830 2.460 -0.429
192 HG3 GLN 24 2HG GLN 24 9.194 3.008 1.208
193 HE21 GLN 24 2HE2 GLN 24 11.904 3.763 -0.568
194 HE22 GLN 24 1HE2 GLN 24 11.508 5.350 -1.021
195 H HIS 25 H HIS 25 11.857 -0.908 -0.962
196 HA HIS 25 HA HIS 25 14.761 -0.357 -0.729
197 HB2 HIS 25 1HB HIS 25 13.285 -2.027 0.713
198 HB3 HIS 25 2HB HIS 25 13.547 -3.117 -0.637
199 HD1 HIS 25 HD1 HIS 25 14.806 -3.711 2.135
200 HD2 HIS 25 HD2 HIS 25 16.782 -1.685 -0.929
201 HE1 HIS 25 HE1 HIS 25 17.287 -3.979 2.581
202 HE2 HIS 25 HE2 HIS 25 18.498 -2.750 0.721
203 H TYR 26 H TYR 26 12.784 -2.785 -2.404
204 HA TYR 26 HA TYR 26 14.619 -3.630 -4.306
205 HB2 TYR 26 1HB TYR 26 11.626 -3.303 -4.500
206 HB3 TYR 26 2HB TYR 26 12.573 -4.050 -5.778
207 HD1 TYR 26 HD2 TYR 26 14.192 -5.969 -5.065
208 HD2 TYR 26 HD1 TYR 26 10.875 -4.620 -2.685
209 HE1 TYR 26 HE2 TYR 26 14.202 -8.117 -3.827
210 HE2 TYR 26 HE1 TYR 26 10.890 -6.767 -1.451
211 HH TYR 26 HH TYR 26 11.900 -8.719 -1.171
212 H ILE 27 H ILE 27 12.135 -1.089 -5.036
213 HA ILE 27 HA ILE 27 13.747 -0.300 -7.357
214 HB ILE 27 HB ILE 27 11.262 -0.376 -7.483
215 HG12 ILE 27 1HG1 ILE 27 12.386 2.391 -7.902
216 HG13 ILE 27 2HG1 ILE 27 12.704 1.035 -8.966
217 HG21 ILE 27 1HG2 ILE 27 10.490 0.390 -5.403
218 HG22 ILE 27 2HG2 ILE 27 10.099 1.690 -6.516
219 HG23 ILE 27 3HG2 ILE 27 11.474 1.838 -5.457
220 HD11 ILE 27 3HD1 ILE 27 10.243 0.770 -9.306
221 HD12 ILE 27 1HD1 ILE 27 10.863 2.312 -9.895
222 HD13 ILE 27 2HD1 ILE 27 9.995 2.238 -8.362
223 H GLY 28 H GLY 28 13.015 0.961 -4.156
224 HA2 GLY 28 1HA GLY 28 14.842 2.350 -3.126
225 HA3 GLY 28 2HA GLY 28 14.933 3.216 -4.658
226 H TRP 29 H TRP 29 12.167 3.457 -5.195
227 HA TRP 29 HA TRP 29 11.243 5.233 -2.953
228 HB2 TRP 29 1HB TRP 29 10.258 6.684 -4.676
229 HB3 TRP 29 2HB TRP 29 11.993 6.501 -4.931
230 HD1 TRP 29 HD1 TRP 29 12.616 4.362 -6.673
231 HE1 TRP 29 HE1 TRP 29 11.497 3.832 -8.936
232 HE3 TRP 29 HE3 TRP 29 8.234 6.920 -6.120
233 HZ2 TRP 29 HZ2 TRP 29 9.084 4.413 -10.324
234 HZ3 TRP 29 HZ3 TRP 29 6.543 6.917 -7.933
235 HH2 TRP 29 HH2 TRP 29 6.959 5.664 -10.032
236 H CYS 30 H CYS 30 8.713 5.776 -4.120
237 HA CYS 30 HA CYS 30 7.354 3.163 -3.649
238 HB2 CYS 30 1HB CYS 30 5.327 4.901 -3.592
239 HB3 CYS 30 2HB CYS 30 6.386 4.693 -2.199
240 HG CYS 30 HG CYS 30 6.042 7.286 -3.305
241 HA PRO 31 HA PRO 31 7.069 3.233 -8.254
242 HB2 PRO 31 1HB PRO 31 5.260 0.921 -7.662
243 HB3 PRO 31 2HB PRO 31 6.587 1.043 -8.833
244 HG2 PRO 31 1HG PRO 31 6.854 -0.296 -6.533
245 HG3 PRO 31 2HG PRO 31 8.197 0.606 -7.253
246 HD2 PRO 31 1HD PRO 31 6.536 1.298 -4.867
247 HD3 PRO 31 2HD PRO 31 8.220 1.719 -5.225
248 H PHE 32 H PHE 32 4.247 2.621 -6.163
249 HA PHE 32 HA PHE 32 2.388 3.713 -8.117
250 HB2 PHE 32 1HB PHE 32 2.089 2.702 -5.284
251 HB3 PHE 32 2HB PHE 32 0.741 3.294 -6.246
252 HD1 PHE 32 HD2 PHE 32 0.186 2.162 -8.439
253 HD2 PHE 32 HD1 PHE 32 2.986 0.520 -5.625
254 HE1 PHE 32 HE2 PHE 32 0.002 -0.050 -9.546
255 HE2 PHE 32 HE1 PHE 32 2.802 -1.691 -6.732
256 HZ PHE 32 HZ PHE 32 1.311 -1.977 -8.692
257 H TRP 33 H TRP 33 2.723 4.503 -4.665
258 HA TRP 33 HA TRP 33 2.168 7.355 -5.321
259 HB2 TRP 33 1HB TRP 33 1.913 7.431 -2.739
260 HB3 TRP 33 2HB TRP 33 0.670 6.601 -3.666
261 HD1 TRP 33 HD1 TRP 33 3.588 5.964 -1.302
262 HE1 TRP 33 HE1 TRP 33 3.477 3.520 -0.484
263 HE3 TRP 33 HE3 TRP 33 -0.164 4.196 -4.284
264 HZ2 TRP 33 HZ2 TRP 33 2.003 1.144 -1.017
265 HZ3 TRP 33 HZ3 TRP 33 -0.899 1.835 -4.108
266 HH2 TRP 33 HH2 TRP 33 0.178 0.306 -2.479
Start of MODEL 12
1 H1 ASN 1 1H ASN 1 -26.152 -4.315 3.823
2 H2 ASN 1 2H ASN 1 -24.467 -4.118 3.749
3 H3 ASN 1 3H ASN 1 -25.420 -2.999 4.603
4 HA ASN 1 HA ASN 1 -26.135 -5.122 5.934
5 HB2 ASN 1 1HB ASN 1 -23.308 -5.758 5.042
6 HB3 ASN 1 2HB ASN 1 -24.313 -6.712 6.133
7 HD21 ASN 1 2HD2 ASN 1 -25.620 -8.298 5.177
8 HD22 ASN 1 1HD2 ASN 1 -25.933 -8.411 3.512
9 H GLU 2 H GLU 2 -24.431 -5.515 7.928
10 HA GLU 2 HA GLU 2 -24.136 -2.983 9.176
11 HB2 GLU 2 1HB GLU 2 -24.265 -5.061 10.472
12 HB3 GLU 2 2HB GLU 2 -22.742 -5.611 9.777
13 HG2 GLU 2 1HG GLU 2 -22.446 -4.668 12.059
14 HG3 GLU 2 2HG GLU 2 -21.547 -3.757 10.850
15 H LEU 3 H LEU 3 -21.755 -5.029 7.516
16 HA LEU 3 HA LEU 3 -19.453 -3.453 7.994
17 HB2 LEU 3 1HB LEU 3 -20.049 -4.908 5.414
18 HB3 LEU 3 2HB LEU 3 -18.468 -4.541 6.102
19 HG LEU 3 HG LEU 3 -20.507 -6.561 7.054
20 HD11 LEU 3 1HD1 LEU 3 -18.831 -7.279 5.415
21 HD12 LEU 3 2HD1 LEU 3 -18.513 -8.034 6.978
22 HD13 LEU 3 3HD1 LEU 3 -17.542 -6.660 6.447
23 HD21 LEU 3 3HD2 LEU 3 -19.897 -5.458 9.101
24 HD22 LEU 3 1HD2 LEU 3 -18.209 -5.334 8.606
25 HD23 LEU 3 2HD2 LEU 3 -18.895 -6.906 9.012
26 H ASP 4 H ASP 4 -18.399 -1.895 6.623
27 HA ASP 4 HA ASP 4 -20.198 0.019 5.428
28 HB2 ASP 4 1HB ASP 4 -17.226 -0.261 5.636
29 HB3 ASP 4 2HB ASP 4 -17.905 0.947 4.558
30 H VAL 5 H VAL 5 -19.363 0.722 3.024
31 HA VAL 5 HA VAL 5 -19.710 -1.765 1.430
32 HB VAL 5 HB VAL 5 -20.557 1.077 1.147
33 HG11 VAL 5 1HG1 VAL 5 -21.109 0.624 -1.276
34 HG12 VAL 5 2HG1 VAL 5 -20.083 -0.806 -1.185
35 HG13 VAL 5 3HG1 VAL 5 -19.376 0.802 -0.966
36 HG21 VAL 5 3HG2 VAL 5 -21.942 -0.822 2.056
37 HG22 VAL 5 1HG2 VAL 5 -21.926 -1.515 0.428
38 HG23 VAL 5 2HG2 VAL 5 -22.672 0.061 0.704
39 HA PRO 6 HA PRO 6 -16.045 0.066 -0.821
40 HB2 PRO 6 1HB PRO 6 -15.074 2.491 -0.387
41 HB3 PRO 6 2HB PRO 6 -16.680 2.331 -1.144
42 HG2 PRO 6 1HG PRO 6 -16.010 2.792 1.742
43 HG3 PRO 6 2HG PRO 6 -17.102 3.725 0.689
44 HD2 PRO 6 1HD PRO 6 -18.026 1.736 2.333
45 HD3 PRO 6 2HD PRO 6 -18.766 2.135 0.775
46 H GLU 7 H GLU 7 -16.244 -0.787 2.095
47 HA GLU 7 HA GLU 7 -13.996 0.010 3.567
48 HB2 GLU 7 1HB GLU 7 -15.980 -1.962 3.816
49 HB3 GLU 7 2HB GLU 7 -14.499 -2.907 3.751
50 HG2 GLU 7 1HG GLU 7 -14.907 -0.551 5.619
51 HG3 GLU 7 2HG GLU 7 -15.204 -2.226 6.075
52 H GLN 8 H GLN 8 -14.174 -2.272 0.858
53 HA GLN 8 HA GLN 8 -11.602 -3.396 1.030
54 HB2 GLN 8 1HB GLN 8 -12.684 -2.409 -1.613
55 HB3 GLN 8 2HB GLN 8 -11.784 -3.888 -1.271
56 HG2 GLN 8 1HG GLN 8 -13.822 -4.534 0.209
57 HG3 GLN 8 2HG GLN 8 -14.673 -3.263 -0.669
58 HE21 GLN 8 2HE2 GLN 8 -13.143 -6.439 -1.004
59 HE22 GLN 8 1HE2 GLN 8 -13.757 -6.767 -2.552
60 H VAL 9 H VAL 9 -12.608 -0.256 -0.233
61 HA VAL 9 HA VAL 9 -10.237 0.803 -1.231
62 HB VAL 9 HB VAL 9 -12.256 2.189 0.552
63 HG11 VAL 9 1HG1 VAL 9 -10.050 3.197 -1.217
64 HG12 VAL 9 2HG1 VAL 9 -10.423 3.622 0.459
65 HG13 VAL 9 3HG1 VAL 9 -11.460 4.195 -0.851
66 HG21 VAL 9 3HG2 VAL 9 -13.204 2.933 -1.669
67 HG22 VAL 9 1HG2 VAL 9 -13.399 1.214 -1.317
68 HG23 VAL 9 2HG2 VAL 9 -12.144 1.751 -2.438
69 H ASP 10 H ASP 10 -11.413 1.551 2.018
70 HA ASP 10 HA ASP 10 -9.069 2.507 3.159
71 HB2 ASP 10 1HB ASP 10 -11.165 2.557 4.347
72 HB3 ASP 10 2HB ASP 10 -11.258 0.792 4.372
73 H LYS 11 H LYS 11 -9.991 -0.862 2.632
74 HA LYS 11 HA LYS 11 -7.639 -1.912 4.002
75 HB2 LYS 11 1HB LYS 11 -9.499 -3.228 2.003
76 HB3 LYS 11 2HB LYS 11 -8.271 -4.063 2.946
77 HG2 LYS 11 1HG LYS 11 -9.411 -3.315 5.027
78 HG3 LYS 11 2HG LYS 11 -10.681 -2.594 4.043
79 HD2 LYS 11 1HD LYS 11 -10.937 -4.922 2.969
80 HD3 LYS 11 2HD LYS 11 -9.965 -5.516 4.317
81 HE2 LYS 11 1HE LYS 11 -11.638 -4.315 5.847
82 HE3 LYS 11 2HE LYS 11 -12.662 -4.166 4.419
83 HZ1 LYS 11 3HZ LYS 11 -12.736 -6.259 6.037
84 HZ2 LYS 11 1HZ LYS 11 -11.554 -6.802 4.949
85 HZ3 LYS 11 2HZ LYS 11 -13.093 -6.363 4.379
86 H LEU 12 H LEU 12 -8.574 -1.127 0.676
87 HA LEU 12 HA LEU 12 -6.256 -2.171 -0.567
88 HB2 LEU 12 1HB LEU 12 -8.021 0.118 -1.250
89 HB3 LEU 12 2HB LEU 12 -6.719 -0.388 -2.267
90 HG LEU 12 HG LEU 12 -9.395 -1.412 -2.141
91 HD11 LEU 12 1HD1 LEU 12 -8.155 -0.955 -4.170
92 HD12 LEU 12 2HD1 LEU 12 -8.621 -2.659 -4.144
93 HD13 LEU 12 3HD1 LEU 12 -6.966 -2.185 -3.737
94 HD21 LEU 12 3HD2 LEU 12 -7.359 -3.631 -1.847
95 HD22 LEU 12 1HD2 LEU 12 -9.101 -3.785 -2.004
96 HD23 LEU 12 2HD2 LEU 12 -8.417 -3.129 -0.529
97 H ILE 13 H ILE 13 -6.967 1.182 0.422
98 HA ILE 13 HA ILE 13 -4.613 2.491 0.097
99 HB ILE 13 HB ILE 13 -6.639 2.376 2.287
100 HG12 ILE 13 1HG1 ILE 13 -6.891 4.742 1.661
101 HG13 ILE 13 2HG1 ILE 13 -5.558 4.588 0.525
102 HG21 ILE 13 1HG2 ILE 13 -4.785 2.689 3.714
103 HG22 ILE 13 2HG2 ILE 13 -5.387 4.323 3.408
104 HG23 ILE 13 3HG2 ILE 13 -3.955 3.731 2.551
105 HD11 ILE 13 3HD1 ILE 13 -7.730 4.384 -0.618
106 HD12 ILE 13 1HD1 ILE 13 -8.159 3.044 0.441
107 HD13 ILE 13 2HD1 ILE 13 -6.833 2.869 -0.709
108 H GLN 14 H GLN 14 -5.225 0.159 2.735
109 HA GLN 14 HA GLN 14 -2.681 0.375 3.954
110 HB2 GLN 14 1HB GLN 14 -4.529 -2.016 3.790
111 HB3 GLN 14 2HB GLN 14 -3.167 -1.862 4.871
112 HG2 GLN 14 1HG GLN 14 -4.233 0.274 5.741
113 HG3 GLN 14 2HG GLN 14 -5.673 -0.206 4.850
114 HE21 GLN 14 2HE2 GLN 14 -7.096 -0.929 6.462
115 HE22 GLN 14 1HE2 GLN 14 -6.704 -2.104 7.622
116 H GLN 15 H GLN 15 -3.851 -1.793 1.350
117 HA GLN 15 HA GLN 15 -1.526 -3.335 1.043
118 HB2 GLN 15 1HB GLN 15 -2.155 -3.798 -1.209
119 HB3 GLN 15 2HB GLN 15 -3.650 -3.602 -0.310
120 HG2 GLN 15 1HG GLN 15 -4.315 -1.913 -1.689
121 HG3 GLN 15 2HG GLN 15 -2.839 -1.017 -1.418
122 HE21 GLN 15 2HE2 GLN 15 -4.485 -1.592 -3.915
123 HE22 GLN 15 1HE2 GLN 15 -3.357 -2.210 -5.031
124 H ALA 16 H ALA 16 -1.972 0.040 0.388
125 HA ALA 16 HA ALA 16 0.506 0.276 -1.208
126 HB1 ALA 16 3HB ALA 16 -0.019 2.645 -1.266
127 HB2 ALA 16 1HB ALA 16 -1.197 2.468 0.037
128 HB3 ALA 16 2HB ALA 16 -1.519 1.757 -1.547
129 H THR 17 H THR 17 -0.594 0.980 2.132
130 HA THR 17 HA THR 17 1.683 2.350 3.040
131 HB THR 17 HB THR 17 -0.380 0.574 4.281
132 HG1 THR 17 HG1 THR 17 0.509 3.214 4.400
133 HG21 THR 17 3HG2 THR 17 2.257 1.279 5.546
134 HG22 THR 17 1HG2 THR 17 1.421 -0.273 5.522
135 HG23 THR 17 2HG2 THR 17 0.807 1.042 6.524
136 H SER 18 H SER 18 1.142 -1.115 2.522
137 HA SER 18 HA SER 18 3.599 -2.031 3.656
138 HB2 SER 18 1HB SER 18 3.196 -3.958 1.962
139 HB3 SER 18 2HB SER 18 1.992 -3.707 3.218
140 HG SER 18 HG SER 18 0.761 -2.547 1.717
141 H ILE 19 H ILE 19 2.706 -1.330 0.246
142 HA ILE 19 HA ILE 19 5.120 -1.735 -1.003
143 HB ILE 19 HB ILE 19 2.816 0.134 -1.383
144 HG12 ILE 19 1HG1 ILE 19 3.015 -0.977 -3.742
145 HG13 ILE 19 2HG1 ILE 19 4.119 -2.080 -2.950
146 HG21 ILE 19 1HG2 ILE 19 4.488 1.674 -1.956
147 HG22 ILE 19 2HG2 ILE 19 3.954 0.996 -3.491
148 HG23 ILE 19 3HG2 ILE 19 5.467 0.447 -2.760
149 HD11 ILE 19 3HD1 ILE 19 2.026 -3.136 -2.779
150 HD12 ILE 19 1HD1 ILE 19 1.216 -1.625 -2.370
151 HD13 ILE 19 2HD1 ILE 19 2.284 -2.403 -1.197
152 H GLU 20 H GLU 20 4.297 0.788 1.274
153 HA GLU 20 HA GLU 20 6.425 2.595 0.644
154 HB2 GLU 20 1HB GLU 20 4.318 2.768 2.276
155 HB3 GLU 20 2HB GLU 20 5.482 2.239 3.482
156 HG2 GLU 20 1HG GLU 20 5.944 4.608 1.638
157 HG3 GLU 20 2HG GLU 20 5.281 4.744 3.263
158 H ARG 21 H ARG 21 6.215 -0.232 2.763
159 HA ARG 21 HA ARG 21 8.986 0.075 3.676
160 HB2 ARG 21 1HB ARG 21 6.943 -2.146 4.021
161 HB3 ARG 21 2HB ARG 21 8.541 -2.149 4.751
162 HG2 ARG 21 1HG ARG 21 7.398 -1.183 6.513
163 HG3 ARG 21 2HG ARG 21 7.720 0.290 5.606
164 HD2 ARG 21 1HD ARG 21 5.430 0.444 6.021
165 HD3 ARG 21 2HD ARG 21 5.459 -0.262 4.406
166 HE ARG 21 HE ARG 21 5.327 -2.525 5.749
167 HH11 ARG 21 1HH2 ARG 21 3.818 0.484 6.603
168 HH12 ARG 21 2HH2 ARG 21 2.530 -0.277 7.468
169 HH21 ARG 21 1HH1 ARG 21 3.645 -3.496 6.871
170 HH22 ARG 21 2HH1 ARG 21 2.428 -2.515 7.616
171 H LEU 22 H LEU 22 7.280 -1.548 1.099
172 HA LEU 22 HA LEU 22 9.431 -3.441 0.520
173 HB2 LEU 22 1HB LEU 22 7.241 -2.544 -1.360
174 HB3 LEU 22 2HB LEU 22 8.153 -4.036 -1.406
175 HG LEU 22 HG LEU 22 6.037 -3.241 0.530
176 HD11 LEU 22 1HD1 LEU 22 5.382 -4.413 -1.526
177 HD12 LEU 22 2HD1 LEU 22 5.097 -5.416 -0.103
178 HD13 LEU 22 3HD1 LEU 22 6.505 -5.712 -1.125
179 HD21 LEU 22 3HD2 LEU 22 6.619 -5.419 1.731
180 HD22 LEU 22 1HD2 LEU 22 7.735 -4.081 1.997
181 HD23 LEU 22 2HD2 LEU 22 8.154 -5.367 0.866
182 H CYS 23 H CYS 23 8.189 -0.510 -1.110
183 HA CYS 23 HA CYS 23 10.035 -0.259 -3.170
184 HB2 CYS 23 1HB CYS 23 9.764 2.226 -2.876
185 HB3 CYS 23 2HB CYS 23 8.240 1.347 -2.908
186 HG CYS 23 HG CYS 23 8.314 1.475 -0.214
187 H GLN 24 H GLN 24 10.590 0.111 0.247
188 HA GLN 24 HA GLN 24 13.175 1.434 -0.057
189 HB2 GLN 24 1HB GLN 24 11.638 0.195 2.232
190 HB3 GLN 24 2HB GLN 24 13.313 0.688 2.442
191 HG2 GLN 24 1HG GLN 24 12.814 2.968 1.961
192 HG3 GLN 24 2HG GLN 24 11.221 2.557 1.322
193 HE21 GLN 24 2HE2 GLN 24 11.512 4.458 3.444
194 HE22 GLN 24 1HE2 GLN 24 10.837 3.796 4.854
195 H HIS 25 H HIS 25 11.949 -1.843 0.214
196 HA HIS 25 HA HIS 25 14.705 -2.956 0.392
197 HB2 HIS 25 1HB HIS 25 12.614 -3.798 1.719
198 HB3 HIS 25 2HB HIS 25 12.159 -4.579 0.215
199 HD1 HIS 25 HD1 HIS 25 12.807 -6.981 0.428
200 HD2 HIS 25 HD2 HIS 25 15.767 -4.455 1.930
201 HE1 HIS 25 HE1 HIS 25 14.759 -8.465 1.072
202 HE2 HIS 25 HE2 HIS 25 16.565 -6.938 1.987
203 H TYR 26 H TYR 26 11.796 -3.746 -1.465
204 HA TYR 26 HA TYR 26 12.846 -5.218 -3.524
205 HB2 TYR 26 1HB TYR 26 10.604 -3.217 -3.429
206 HB3 TYR 26 2HB TYR 26 11.021 -3.963 -4.967
207 HD1 TYR 26 HD1 TYR 26 10.473 -4.957 -1.382
208 HD2 TYR 26 HD2 TYR 26 9.941 -5.967 -5.526
209 HE1 TYR 26 HE1 TYR 26 9.225 -6.994 -0.726
210 HE2 TYR 26 HE2 TYR 26 8.692 -8.004 -4.866
211 HH TYR 26 HH TYR 26 8.820 -9.432 -2.127
212 H ILE 27 H ILE 27 12.259 -1.703 -4.117
213 HA ILE 27 HA ILE 27 14.501 -1.792 -6.064
214 HB ILE 27 HB ILE 27 12.225 -0.952 -6.734
215 HG12 ILE 27 1HG1 ILE 27 14.419 1.110 -6.898
216 HG13 ILE 27 2HG1 ILE 27 14.361 -0.339 -7.885
217 HG21 ILE 27 1HG2 ILE 27 12.937 1.469 -5.138
218 HG22 ILE 27 2HG2 ILE 27 11.887 0.213 -4.510
219 HG23 ILE 27 3HG2 ILE 27 11.426 1.114 -5.953
220 HD11 ILE 27 3HD1 ILE 27 13.373 1.444 -9.174
221 HD12 ILE 27 1HD1 ILE 27 12.336 1.901 -7.823
222 HD13 ILE 27 2HD1 ILE 27 12.071 0.372 -8.659
223 H GLY 28 H GLY 28 13.395 0.076 -3.236
224 HA2 GLY 28 1HA GLY 28 15.293 0.686 -1.650
225 HA3 GLY 28 2HA GLY 28 16.144 1.286 -3.069
226 H TRP 29 H TRP 29 14.068 2.536 -4.392
227 HA TRP 29 HA TRP 29 13.290 4.756 -2.519
228 HB2 TRP 29 1HB TRP 29 13.582 6.300 -4.382
229 HB3 TRP 29 2HB TRP 29 15.059 5.351 -4.211
230 HD1 TRP 29 HD1 TRP 29 15.042 3.016 -5.796
231 HE1 TRP 29 HE1 TRP 29 14.309 2.805 -8.262
232 HE3 TRP 29 HE3 TRP 29 12.258 7.264 -6.260
233 HZ2 TRP 29 HZ2 TRP 29 12.784 4.252 -10.177
234 HZ3 TRP 29 HZ3 TRP 29 11.182 7.831 -8.421
235 HH2 TRP 29 HH2 TRP 29 11.439 6.329 -10.379
236 H CYS 30 H CYS 30 11.413 6.079 -3.870
237 HA CYS 30 HA CYS 30 9.216 4.172 -4.060
238 HB2 CYS 30 1HB CYS 30 7.970 6.356 -4.721
239 HB3 CYS 30 2HB CYS 30 8.611 6.223 -3.085
240 HG CYS 30 HG CYS 30 9.842 7.972 -5.347
241 HA PRO 31 HA PRO 31 10.098 3.939 -8.527
242 HB2 PRO 31 1HB PRO 31 8.510 1.788 -9.130
243 HB3 PRO 31 2HB PRO 31 10.125 1.644 -8.428
244 HG2 PRO 31 1HG PRO 31 7.485 1.304 -7.142
245 HG3 PRO 31 2HG PRO 31 9.045 0.565 -6.744
246 HD2 PRO 31 1HD PRO 31 7.843 2.733 -5.376
247 HD3 PRO 31 2HD PRO 31 9.523 2.199 -5.214
248 H PHE 32 H PHE 32 6.867 3.953 -7.104
249 HA PHE 32 HA PHE 32 5.585 4.744 -9.606
250 HB2 PHE 32 1HB PHE 32 4.654 4.314 -6.774
251 HB3 PHE 32 2HB PHE 32 3.597 5.051 -7.974
252 HD1 PHE 32 HD2 PHE 32 3.080 3.789 -10.109
253 HD2 PHE 32 HD1 PHE 32 5.056 1.967 -6.757
254 HE1 PHE 32 HE2 PHE 32 2.533 1.542 -11.006
255 HE2 PHE 32 HE1 PHE 32 4.508 -0.279 -7.655
256 HZ PHE 32 HZ PHE 32 3.246 -0.491 -9.778
257 H TRP 33 H TRP 33 5.458 6.296 -6.387
258 HA TRP 33 HA TRP 33 5.356 8.937 -7.721
259 HB2 TRP 33 1HB TRP 33 5.047 9.675 -5.252
260 HB3 TRP 33 2HB TRP 33 3.738 8.782 -6.016
261 HD1 TRP 33 HD1 TRP 33 6.401 8.505 -3.336
262 HE1 TRP 33 HE1 TRP 33 6.015 6.338 -1.983
263 HE3 TRP 33 HE3 TRP 33 2.782 6.316 -6.190
264 HZ2 TRP 33 HZ2 TRP 33 4.399 3.999 -2.104
265 HZ3 TRP 33 HZ3 TRP 33 1.843 4.113 -5.558
266 HH2 TRP 33 HH2 TRP 33 2.640 2.948 -3.515
Start of MODEL 13
1 H1 ASN 1 1H ASN 1 -26.748 2.090 2.063
2 H2 ASN 1 2H ASN 1 -26.108 1.886 0.502
3 H3 ASN 1 3H ASN 1 -25.069 2.004 1.840
4 HA ASN 1 HA ASN 1 -27.053 -0.174 1.533
5 HB2 ASN 1 1HB ASN 1 -24.092 -0.351 0.942
6 HB3 ASN 1 2HB ASN 1 -25.339 -1.550 0.601
7 HD21 ASN 1 2HD2 ASN 1 -23.778 1.335 -0.602
8 HD22 ASN 1 1HD2 ASN 1 -24.679 1.465 -2.035
9 H GLU 2 H GLU 2 -25.804 -2.141 2.745
10 HA GLU 2 HA GLU 2 -25.615 -1.293 5.505
11 HB2 GLU 2 1HB GLU 2 -26.455 -3.543 4.726
12 HB3 GLU 2 2HB GLU 2 -24.788 -3.966 4.343
13 HG2 GLU 2 1HG GLU 2 -24.154 -3.515 6.704
14 HG3 GLU 2 2HG GLU 2 -25.844 -3.166 7.073
15 H LEU 3 H LEU 3 -23.162 -3.320 3.921
16 HA LEU 3 HA LEU 3 -21.010 -2.386 5.512
17 HB2 LEU 3 1HB LEU 3 -20.791 -3.349 2.653
18 HB3 LEU 3 2HB LEU 3 -19.534 -3.384 3.887
19 HG LEU 3 HG LEU 3 -22.018 -5.091 3.671
20 HD11 LEU 3 1HD1 LEU 3 -19.081 -5.655 4.162
21 HD12 LEU 3 2HD1 LEU 3 -19.936 -5.876 2.636
22 HD13 LEU 3 3HD1 LEU 3 -20.341 -6.883 4.026
23 HD21 LEU 3 3HD2 LEU 3 -21.343 -5.982 5.968
24 HD22 LEU 3 1HD2 LEU 3 -22.107 -4.393 5.973
25 HD23 LEU 3 2HD2 LEU 3 -20.357 -4.532 6.148
26 H ASP 4 H ASP 4 -19.157 -1.051 4.781
27 HA ASP 4 HA ASP 4 -20.001 1.442 3.635
28 HB2 ASP 4 1HB ASP 4 -17.334 0.238 4.294
29 HB3 ASP 4 2HB ASP 4 -17.445 1.795 3.490
30 H VAL 5 H VAL 5 -18.502 2.205 1.624
31 HA VAL 5 HA VAL 5 -18.962 0.121 -0.455
32 HB VAL 5 HB VAL 5 -19.185 3.094 -0.375
33 HG11 VAL 5 1HG1 VAL 5 -19.279 3.094 -2.897
34 HG12 VAL 5 2HG1 VAL 5 -18.593 1.469 -2.868
35 HG13 VAL 5 3HG1 VAL 5 -17.651 2.835 -2.253
36 HG21 VAL 5 3HG2 VAL 5 -21.304 2.636 -1.386
37 HG22 VAL 5 1HG2 VAL 5 -21.073 1.474 -0.073
38 HG23 VAL 5 2HG2 VAL 5 -20.830 0.975 -1.752
39 HA PRO 6 HA PRO 6 -14.609 1.404 -1.581
40 HB2 PRO 6 1HB PRO 6 -13.359 3.512 -0.583
41 HB3 PRO 6 2HB PRO 6 -14.756 3.760 -1.657
42 HG2 PRO 6 1HG PRO 6 -14.679 3.760 1.337
43 HG3 PRO 6 2HG PRO 6 -15.335 4.997 0.242
44 HD2 PRO 6 1HD PRO 6 -16.915 3.049 1.358
45 HD3 PRO 6 2HD PRO 6 -17.224 3.775 -0.225
46 H GLU 7 H GLU 7 -15.523 0.124 0.970
47 HA GLU 7 HA GLU 7 -13.622 0.328 3.020
48 HB2 GLU 7 1HB GLU 7 -15.841 -1.248 2.558
49 HB3 GLU 7 2HB GLU 7 -14.561 -2.449 2.442
50 HG2 GLU 7 1HG GLU 7 -13.675 -1.499 4.647
51 HG3 GLU 7 2HG GLU 7 -15.205 -0.631 4.764
52 H GLN 8 H GLN 8 -13.403 -1.538 -0.008
53 HA GLN 8 HA GLN 8 -11.087 -3.027 0.570
54 HB2 GLN 8 1HB GLN 8 -11.385 -1.594 -2.075
55 HB3 GLN 8 2HB GLN 8 -10.760 -3.215 -1.761
56 HG2 GLN 8 1HG GLN 8 -13.146 -3.749 -0.895
57 HG3 GLN 8 2HG GLN 8 -13.627 -2.269 -1.725
58 HE21 GLN 8 2HE2 GLN 8 -12.246 -5.511 -2.241
59 HE22 GLN 8 1HE2 GLN 8 -12.569 -5.568 -3.907
60 H VAL 9 H VAL 9 -11.368 0.335 -0.490
61 HA VAL 9 HA VAL 9 -8.732 1.145 -0.751
62 HB VAL 9 HB VAL 9 -10.914 2.605 0.757
63 HG11 VAL 9 1HG1 VAL 9 -9.609 4.607 -0.226
64 HG12 VAL 9 2HG1 VAL 9 -8.280 3.459 -0.388
65 HG13 VAL 9 3HG1 VAL 9 -8.975 3.790 1.206
66 HG21 VAL 9 3HG2 VAL 9 -11.794 2.029 -1.371
67 HG22 VAL 9 1HG2 VAL 9 -10.270 2.402 -2.182
68 HG23 VAL 9 2HG2 VAL 9 -11.252 3.705 -1.511
69 H ASP 10 H ASP 10 -10.527 1.688 2.241
70 HA ASP 10 HA ASP 10 -8.425 2.161 3.976
71 HB2 ASP 10 1HB ASP 10 -10.731 2.387 4.654
72 HB3 ASP 10 2HB ASP 10 -11.020 0.656 4.442
73 H LYS 11 H LYS 11 -9.562 -0.956 2.784
74 HA LYS 11 HA LYS 11 -7.759 -2.469 4.509
75 HB2 LYS 11 1HB LYS 11 -9.246 -3.301 2.002
76 HB3 LYS 11 2HB LYS 11 -8.392 -4.396 3.086
77 HG2 LYS 11 1HG LYS 11 -9.878 -3.734 4.930
78 HG3 LYS 11 2HG LYS 11 -10.729 -2.629 3.858
79 HD2 LYS 11 1HD LYS 11 -11.158 -4.676 2.358
80 HD3 LYS 11 2HD LYS 11 -10.645 -5.647 3.740
81 HE2 LYS 11 1HE LYS 11 -12.370 -4.317 5.106
82 HE3 LYS 11 2HE LYS 11 -13.001 -3.772 3.554
83 HZ1 LYS 11 3HZ LYS 11 -13.729 -5.842 3.012
84 HZ2 LYS 11 1HZ LYS 11 -13.887 -5.941 4.698
85 HZ3 LYS 11 2HZ LYS 11 -12.541 -6.637 3.930
86 H LEU 12 H LEU 12 -7.803 -1.325 1.165
87 HA LEU 12 HA LEU 12 -5.403 -2.512 0.260
88 HB2 LEU 12 1HB LEU 12 -6.693 0.088 -0.378
89 HB3 LEU 12 2HB LEU 12 -5.307 -0.505 -1.224
90 HG LEU 12 HG LEU 12 -8.090 -1.110 -1.670
91 HD11 LEU 12 1HD1 LEU 12 -6.467 -0.551 -3.384
92 HD12 LEU 12 2HD1 LEU 12 -7.171 -2.136 -3.716
93 HD13 LEU 12 3HD1 LEU 12 -5.556 -2.013 -3.005
94 HD21 LEU 12 3HD2 LEU 12 -7.622 -3.156 -0.234
95 HD22 LEU 12 1HD2 LEU 12 -6.398 -3.607 -1.421
96 HD23 LEU 12 2HD2 LEU 12 -8.089 -3.504 -1.889
97 H ILE 13 H ILE 13 -5.951 0.677 1.683
98 HA ILE 13 HA ILE 13 -3.406 1.664 1.930
99 HB ILE 13 HB ILE 13 -5.887 1.715 3.590
100 HG12 ILE 13 1HG1 ILE 13 -5.630 4.139 3.201
101 HG13 ILE 13 2HG1 ILE 13 -4.130 3.837 2.338
102 HG21 ILE 13 1HG2 ILE 13 -4.395 1.626 5.413
103 HG22 ILE 13 2HG2 ILE 13 -4.680 3.350 5.161
104 HG23 ILE 13 3HG2 ILE 13 -3.182 2.606 4.579
105 HD11 ILE 13 3HD1 ILE 13 -5.403 2.423 0.731
106 HD12 ILE 13 1HD1 ILE 13 -5.963 4.093 0.752
107 HD13 ILE 13 2HD1 ILE 13 -6.884 2.847 1.586
108 H GLN 14 H GLN 14 -4.936 -0.735 4.104
109 HA GLN 14 HA GLN 14 -2.772 -0.970 5.900
110 HB2 GLN 14 1HB GLN 14 -4.843 -3.027 5.114
111 HB3 GLN 14 2HB GLN 14 -3.758 -3.160 6.486
112 HG2 GLN 14 1HG GLN 14 -4.682 -0.890 7.248
113 HG3 GLN 14 2HG GLN 14 -5.954 -1.157 6.061
114 HE21 GLN 14 2HE2 GLN 14 -7.745 -1.685 7.359
115 HE22 GLN 14 1HE2 GLN 14 -7.753 -2.950 8.492
116 H GLN 15 H GLN 15 -3.495 -2.937 2.976
117 HA GLN 15 HA GLN 15 -0.965 -4.365 3.374
118 HB2 GLN 15 1HB GLN 15 -1.463 -5.616 1.394
119 HB3 GLN 15 2HB GLN 15 -2.968 -5.447 2.289
120 HG2 GLN 15 1HG GLN 15 -3.602 -4.949 0.089
121 HG3 GLN 15 2HG GLN 15 -3.362 -3.370 0.806
122 HE21 GLN 15 2HE2 GLN 15 -2.821 -2.368 -1.251
123 HE22 GLN 15 1HE2 GLN 15 -1.352 -2.699 -2.037
124 H ALA 16 H ALA 16 -1.806 -1.359 2.159
125 HA ALA 16 HA ALA 16 0.331 -1.209 0.115
126 HB1 ALA 16 3HB ALA 16 -1.876 0.100 0.046
127 HB2 ALA 16 1HB ALA 16 -0.413 1.057 -0.198
128 HB3 ALA 16 2HB ALA 16 -1.231 1.078 1.367
129 H THR 17 H THR 17 -0.269 -0.082 3.462
130 HA THR 17 HA THR 17 2.022 1.501 3.805
131 HB THR 17 HB THR 17 0.278 -0.166 5.573
132 HG1 THR 17 HG1 THR 17 -0.083 1.815 6.473
133 HG21 THR 17 3HG2 THR 17 2.999 0.864 6.359
134 HG22 THR 17 1HG2 THR 17 2.335 -0.752 6.587
135 HG23 THR 17 2HG2 THR 17 1.717 0.597 7.540
136 H SER 18 H SER 18 1.651 -2.021 3.826
137 HA SER 18 HA SER 18 4.327 -2.630 4.655
138 HB2 SER 18 1HB SER 18 3.776 -4.778 3.201
139 HB3 SER 18 2HB SER 18 2.922 -4.499 4.712
140 HG SER 18 HG SER 18 2.068 -3.929 2.070
141 H ILE 19 H ILE 19 2.846 -2.425 1.384
142 HA ILE 19 HA ILE 19 5.114 -2.812 -0.156
143 HB ILE 19 HB ILE 19 2.583 -1.230 -0.444
144 HG12 ILE 19 1HG1 ILE 19 2.568 -2.705 -2.611
145 HG13 ILE 19 2HG1 ILE 19 3.863 -3.577 -1.822
146 HG21 ILE 19 1HG2 ILE 19 4.953 -0.967 -2.273
147 HG22 ILE 19 2HG2 ILE 19 4.014 0.309 -1.498
148 HG23 ILE 19 3HG2 ILE 19 3.300 -0.636 -2.798
149 HD11 ILE 19 3HD1 ILE 19 1.044 -3.207 -0.871
150 HD12 ILE 19 1HD1 ILE 19 2.333 -3.755 0.202
151 HD13 ILE 19 2HD1 ILE 19 1.888 -4.719 -1.205
152 H GLU 20 H GLU 20 4.588 -0.333 2.141
153 HA GLU 20 HA GLU 20 6.167 1.735 0.886
154 HB2 GLU 20 1HB GLU 20 4.497 1.927 2.865
155 HB3 GLU 20 2HB GLU 20 5.850 1.423 3.871
156 HG2 GLU 20 1HG GLU 20 5.882 3.823 3.850
157 HG3 GLU 20 2HG GLU 20 7.196 3.298 2.798
158 H ARG 21 H ARG 21 6.983 -0.472 3.623
159 HA ARG 21 HA ARG 21 9.774 0.247 3.492
160 HB2 ARG 21 1HB ARG 21 9.833 -2.144 4.803
161 HB3 ARG 21 2HB ARG 21 9.392 -0.631 5.582
162 HG2 ARG 21 1HG ARG 21 7.267 -2.252 4.210
163 HG3 ARG 21 2HG ARG 21 7.816 -2.727 5.809
164 HD2 ARG 21 1HD ARG 21 7.107 0.157 5.387
165 HD3 ARG 21 2HD ARG 21 5.793 -1.013 5.515
166 HE ARG 21 HE ARG 21 7.372 -1.649 7.669
167 HH11 ARG 21 1HH2 ARG 21 6.044 1.268 6.396
168 HH12 ARG 21 2HH2 ARG 21 5.890 2.029 7.945
169 HH21 ARG 21 1HH1 ARG 21 7.177 -0.674 9.696
170 HH22 ARG 21 2HH1 ARG 21 6.531 0.929 9.814
171 H LEU 22 H LEU 22 7.824 -1.891 1.619
172 HA LEU 22 HA LEU 22 10.077 -3.587 0.763
173 HB2 LEU 22 1HB LEU 22 7.346 -3.322 -0.523
174 HB3 LEU 22 2HB LEU 22 8.491 -4.633 -0.715
175 HG LEU 22 HG LEU 22 6.807 -3.988 1.650
176 HD11 LEU 22 1HD1 LEU 22 6.267 -6.384 1.493
177 HD12 LEU 22 2HD1 LEU 22 7.394 -6.527 0.144
178 HD13 LEU 22 3HD1 LEU 22 5.939 -5.546 -0.024
179 HD21 LEU 22 3HD2 LEU 22 8.955 -4.271 2.686
180 HD22 LEU 22 1HD2 LEU 22 9.345 -5.622 1.620
181 HD23 LEU 22 2HD2 LEU 22 8.109 -5.808 2.862
182 H CYS 23 H CYS 23 7.881 -1.343 -0.940
183 HA CYS 23 HA CYS 23 9.187 -1.095 -3.367
184 HB2 CYS 23 1HB CYS 23 8.310 1.206 -3.459
185 HB3 CYS 23 2HB CYS 23 7.105 0.097 -2.824
186 HG CYS 23 HG CYS 23 8.647 1.300 -0.539
187 H GLN 24 H GLN 24 9.908 0.954 -0.500
188 HA GLN 24 HA GLN 24 12.093 2.351 -1.559
189 HB2 GLN 24 1HB GLN 24 11.425 1.363 1.215
190 HB3 GLN 24 2HB GLN 24 12.915 2.244 0.913
191 HG2 GLN 24 1HG GLN 24 11.738 4.184 0.166
192 HG3 GLN 24 2HG GLN 24 10.216 3.299 0.058
193 HE21 GLN 24 2HE2 GLN 24 9.549 5.212 1.574
194 HE22 GLN 24 1HE2 GLN 24 9.766 4.969 3.240
195 H HIS 25 H HIS 25 11.817 -0.976 -0.579
196 HA HIS 25 HA HIS 25 14.750 -1.418 -0.771
197 HB2 HIS 25 1HB HIS 25 13.012 -2.453 0.971
198 HB3 HIS 25 2HB HIS 25 12.749 -3.626 -0.307
199 HD1 HIS 25 HD1 HIS 25 15.224 -4.552 -1.337
200 HD2 HIS 25 HD2 HIS 25 15.091 -3.218 2.613
201 HE1 HIS 25 HE1 HIS 25 17.247 -5.542 -0.177
202 HE2 HIS 25 HE2 HIS 25 17.176 -4.737 2.227
203 H TYR 26 H TYR 26 11.840 -3.060 -1.993
204 HA TYR 26 HA TYR 26 12.940 -4.594 -4.006
205 HB2 TYR 26 1HB TYR 26 10.306 -3.164 -3.760
206 HB3 TYR 26 2HB TYR 26 10.676 -4.022 -5.252
207 HD1 TYR 26 HD2 TYR 26 10.828 -4.520 -1.534
208 HD2 TYR 26 HD1 TYR 26 10.141 -6.304 -5.381
209 HE1 TYR 26 HE2 TYR 26 10.234 -6.661 -0.435
210 HE2 TYR 26 HE1 TYR 26 9.549 -8.448 -4.281
211 HH TYR 26 HH TYR 26 9.258 -9.506 -2.356
212 H ILE 27 H ILE 27 11.400 -1.455 -4.908
213 HA ILE 27 HA ILE 27 13.083 -1.412 -7.295
214 HB ILE 27 HB ILE 27 10.727 -0.616 -7.387
215 HG12 ILE 27 1HG1 ILE 27 12.757 1.534 -7.994
216 HG13 ILE 27 2HG1 ILE 27 12.517 0.104 -8.978
217 HG21 ILE 27 1HG2 ILE 27 10.248 0.529 -5.418
218 HG22 ILE 27 2HG2 ILE 27 10.516 1.863 -6.533
219 HG23 ILE 27 3HG2 ILE 27 11.772 1.396 -5.415
220 HD11 ILE 27 3HD1 ILE 27 11.249 1.902 -9.966
221 HD12 ILE 27 1HD1 ILE 27 10.494 2.273 -8.418
222 HD13 ILE 27 2HD1 ILE 27 10.114 0.762 -9.245
223 H GLY 28 H GLY 28 13.102 0.129 -4.164
224 HA2 GLY 28 1HA GLY 28 15.333 0.919 -3.348
225 HA3 GLY 28 2HA GLY 28 15.584 1.629 -4.942
226 H TRP 29 H TRP 29 13.019 2.698 -5.352
227 HA TRP 29 HA TRP 29 12.743 4.745 -3.183
228 HB2 TRP 29 1HB TRP 29 12.407 6.437 -4.910
229 HB3 TRP 29 2HB TRP 29 13.941 5.617 -5.195
230 HD1 TRP 29 HD1 TRP 29 13.628 3.347 -6.890
231 HE1 TRP 29 HE1 TRP 29 12.353 3.267 -9.131
232 HE3 TRP 29 HE3 TRP 29 10.671 7.477 -6.377
233 HZ2 TRP 29 HZ2 TRP 29 10.376 4.759 -10.526
234 HZ3 TRP 29 HZ3 TRP 29 9.106 8.131 -8.186
235 HH2 TRP 29 HH2 TRP 29 8.954 6.776 -10.259
236 H CYS 30 H CYS 30 10.539 6.071 -4.365
237 HA CYS 30 HA CYS 30 8.433 4.036 -3.923
238 HB2 CYS 30 1HB CYS 30 6.993 6.215 -4.009
239 HB3 CYS 30 2HB CYS 30 8.032 5.936 -2.613
240 HG CYS 30 HG CYS 30 9.248 7.598 -4.929
241 HA PRO 31 HA PRO 31 8.064 4.239 -8.477
242 HB2 PRO 31 1HB PRO 31 6.462 2.042 -8.820
243 HB3 PRO 31 2HB PRO 31 8.216 1.949 -8.607
244 HG2 PRO 31 1HG PRO 31 6.052 1.382 -6.663
245 HG3 PRO 31 2HG PRO 31 7.660 0.653 -6.814
246 HD2 PRO 31 1HD PRO 31 6.948 2.601 -4.928
247 HD3 PRO 31 2HD PRO 31 8.606 2.203 -5.404
248 H PHE 32 H PHE 32 5.296 3.638 -6.328
249 HA PHE 32 HA PHE 32 3.391 4.762 -8.227
250 HB2 PHE 32 1HB PHE 32 3.195 3.674 -5.420
251 HB3 PHE 32 2HB PHE 32 1.830 4.449 -6.212
252 HD1 PHE 32 HD1 PHE 32 1.058 3.560 -8.477
253 HD2 PHE 32 HD2 PHE 32 3.759 1.418 -5.915
254 HE1 PHE 32 HE1 PHE 32 0.559 1.466 -9.704
255 HE2 PHE 32 HE2 PHE 32 3.258 -0.679 -7.142
256 HZ PHE 32 HZ PHE 32 1.658 -0.654 -9.037
257 H TRP 33 H TRP 33 3.949 5.597 -4.792
258 HA TRP 33 HA TRP 33 3.429 8.447 -5.485
259 HB2 TRP 33 1HB TRP 33 3.365 8.646 -2.927
260 HB3 TRP 33 2HB TRP 33 2.056 7.749 -3.683
261 HD1 TRP 33 HD1 TRP 33 5.116 7.322 -1.473
262 HE1 TRP 33 HE1 TRP 33 5.110 4.938 -0.484
263 HE3 TRP 33 HE3 TRP 33 1.272 5.275 -4.130
264 HZ2 TRP 33 HZ2 TRP 33 3.678 2.498 -0.788
265 HZ3 TRP 33 HZ3 TRP 33 0.613 2.915 -3.776
266 HH2 TRP 33 HH2 TRP 33 1.805 1.517 -2.101
Start of MODEL 14
1 H1 ASN 1 1H ASN 1 -26.505 4.737 1.946
2 H2 ASN 1 2H ASN 1 -25.240 4.697 0.813
3 H3 ASN 1 3H ASN 1 -24.909 4.500 2.468
4 HA ASN 1 HA ASN 1 -26.791 2.608 1.324
5 HB2 ASN 1 1HB ASN 1 -24.996 1.250 0.328
6 HB3 ASN 1 2HB ASN 1 -25.099 2.818 -0.474
7 HD21 ASN 1 2HD2 ASN 1 -23.670 4.554 0.992
8 HD22 ASN 1 1HD2 ASN 1 -22.086 4.016 1.276
9 H GLU 2 H GLU 2 -26.252 0.444 2.323
10 HA GLU 2 HA GLU 2 -25.879 0.686 5.131
11 HB2 GLU 2 1HB GLU 2 -25.423 -1.894 4.912
12 HB3 GLU 2 2HB GLU 2 -27.015 -1.266 4.502
13 HG2 GLU 2 1HG GLU 2 -24.919 -1.434 2.342
14 HG3 GLU 2 2HG GLU 2 -25.766 -2.900 2.831
15 H LEU 3 H LEU 3 -23.769 -1.691 3.735
16 HA LEU 3 HA LEU 3 -21.535 -1.203 5.301
17 HB2 LEU 3 1HB LEU 3 -21.347 -1.899 2.364
18 HB3 LEU 3 2HB LEU 3 -20.185 -2.286 3.631
19 HG LEU 3 HG LEU 3 -22.916 -3.482 3.147
20 HD11 LEU 3 1HD1 LEU 3 -20.950 -4.523 2.104
21 HD12 LEU 3 2HD1 LEU 3 -21.608 -5.575 3.357
22 HD13 LEU 3 3HD1 LEU 3 -20.158 -4.620 3.676
23 HD21 LEU 3 3HD2 LEU 3 -21.312 -3.488 5.723
24 HD22 LEU 3 1HD2 LEU 3 -22.535 -4.703 5.356
25 HD23 LEU 3 2HD2 LEU 3 -22.996 -3.009 5.507
26 H ASP 4 H ASP 4 -19.442 -0.192 4.736
27 HA ASP 4 HA ASP 4 -19.757 2.532 3.868
28 HB2 ASP 4 1HB ASP 4 -17.472 0.760 4.595
29 HB3 ASP 4 2HB ASP 4 -17.101 2.237 3.730
30 H VAL 5 H VAL 5 -18.060 3.199 2.018
31 HA VAL 5 HA VAL 5 -18.770 1.495 -0.321
32 HB VAL 5 HB VAL 5 -18.464 4.434 0.108
33 HG11 VAL 5 1HG1 VAL 5 -18.037 3.020 -2.545
34 HG12 VAL 5 2HG1 VAL 5 -16.877 4.075 -1.728
35 HG13 VAL 5 3HG1 VAL 5 -18.376 4.743 -2.386
36 HG21 VAL 5 3HG2 VAL 5 -20.560 4.479 -1.050
37 HG22 VAL 5 1HG2 VAL 5 -20.621 3.171 0.141
38 HG23 VAL 5 2HG2 VAL 5 -20.365 2.804 -1.571
39 HA PRO 6 HA PRO 6 -14.184 1.996 -1.003
40 HB2 PRO 6 1HB PRO 6 -12.651 3.738 0.250
41 HB3 PRO 6 2HB PRO 6 -13.881 4.322 -0.899
42 HG2 PRO 6 1HG PRO 6 -14.047 4.152 2.083
43 HG3 PRO 6 2HG PRO 6 -14.390 5.540 1.029
44 HD2 PRO 6 1HD PRO 6 -16.362 3.825 1.925
45 HD3 PRO 6 2HD PRO 6 -16.445 4.724 0.403
46 H GLU 7 H GLU 7 -14.955 0.067 0.482
47 HA GLU 7 HA GLU 7 -13.621 -0.042 3.081
48 HB2 GLU 7 1HB GLU 7 -15.667 -1.156 3.223
49 HB3 GLU 7 2HB GLU 7 -15.593 -1.710 1.552
50 HG2 GLU 7 1HG GLU 7 -14.072 -3.443 2.077
51 HG3 GLU 7 2HG GLU 7 -13.726 -2.770 3.669
52 H GLN 8 H GLN 8 -13.375 -1.751 -0.073
53 HA GLN 8 HA GLN 8 -11.177 -3.398 0.592
54 HB2 GLN 8 1HB GLN 8 -11.322 -1.991 -2.076
55 HB3 GLN 8 2HB GLN 8 -10.818 -3.646 -1.722
56 HG2 GLN 8 1HG GLN 8 -13.288 -3.938 -0.868
57 HG3 GLN 8 2HG GLN 8 -13.600 -2.501 -1.839
58 HE21 GLN 8 2HE2 GLN 8 -13.018 -5.921 -1.955
59 HE22 GLN 8 1HE2 GLN 8 -13.057 -6.084 -3.645
60 H VAL 9 H VAL 9 -11.359 -0.016 -0.292
61 HA VAL 9 HA VAL 9 -8.710 0.767 -0.587
62 HB VAL 9 HB VAL 9 -10.896 2.127 1.002
63 HG11 VAL 9 1HG1 VAL 9 -9.530 4.207 0.238
64 HG12 VAL 9 2HG1 VAL 9 -8.205 3.056 0.050
65 HG13 VAL 9 3HG1 VAL 9 -8.975 3.270 1.628
66 HG21 VAL 9 3HG2 VAL 9 -11.833 1.979 -1.109
67 HG22 VAL 9 1HG2 VAL 9 -10.266 1.987 -1.927
68 HG23 VAL 9 2HG2 VAL 9 -10.931 3.487 -1.278
69 H ASP 10 H ASP 10 -10.471 1.134 2.445
70 HA ASP 10 HA ASP 10 -8.387 1.490 4.217
71 HB2 ASP 10 1HB ASP 10 -10.654 1.661 4.962
72 HB3 ASP 10 2HB ASP 10 -11.008 -0.011 4.514
73 H LYS 11 H LYS 11 -9.529 -1.560 2.852
74 HA LYS 11 HA LYS 11 -7.681 -3.171 4.428
75 HB2 LYS 11 1HB LYS 11 -9.177 -3.834 1.878
76 HB3 LYS 11 2HB LYS 11 -8.311 -4.994 2.882
77 HG2 LYS 11 1HG LYS 11 -9.817 -4.252 4.802
78 HG3 LYS 11 2HG LYS 11 -10.787 -3.412 3.589
79 HD2 LYS 11 1HD LYS 11 -10.876 -5.644 2.328
80 HD3 LYS 11 2HD LYS 11 -10.246 -6.380 3.804
81 HE2 LYS 11 1HE LYS 11 -12.183 -5.206 5.017
82 HE3 LYS 11 2HE LYS 11 -12.860 -4.923 3.414
83 HZ1 LYS 11 3HZ LYS 11 -12.434 -7.437 3.115
84 HZ2 LYS 11 1HZ LYS 11 -13.792 -6.928 3.992
85 HZ3 LYS 11 2HZ LYS 11 -12.408 -7.472 4.813
86 H LEU 12 H LEU 12 -7.774 -1.799 1.171
87 HA LEU 12 HA LEU 12 -5.374 -2.899 0.164
88 HB2 LEU 12 1HB LEU 12 -6.668 -0.258 -0.276
89 HB3 LEU 12 2HB LEU 12 -5.297 -0.802 -1.176
90 HG LEU 12 HG LEU 12 -8.090 -1.365 -1.622
91 HD11 LEU 12 1HD1 LEU 12 -6.495 -0.685 -3.318
92 HD12 LEU 12 2HD1 LEU 12 -7.205 -2.245 -3.749
93 HD13 LEU 12 3HD1 LEU 12 -5.579 -2.170 -3.058
94 HD21 LEU 12 3HD2 LEU 12 -6.392 -3.871 -1.573
95 HD22 LEU 12 1HD2 LEU 12 -8.088 -3.739 -2.016
96 HD23 LEU 12 2HD2 LEU 12 -7.606 -3.508 -0.346
97 H ILE 13 H ILE 13 -5.920 0.192 1.790
98 HA ILE 13 HA ILE 13 -3.378 1.155 2.106
99 HB ILE 13 HB ILE 13 -5.858 1.103 3.768
100 HG12 ILE 13 1HG1 ILE 13 -5.602 3.551 3.518
101 HG13 ILE 13 2HG1 ILE 13 -4.111 3.298 2.625
102 HG21 ILE 13 1HG2 ILE 13 -4.360 0.920 5.581
103 HG22 ILE 13 2HG2 ILE 13 -4.644 2.657 5.423
104 HG23 ILE 13 3HG2 ILE 13 -3.150 1.943 4.795
105 HD11 ILE 13 3HD1 ILE 13 -5.390 1.984 0.948
106 HD12 ILE 13 1HD1 ILE 13 -5.981 3.638 1.083
107 HD13 ILE 13 2HD1 ILE 13 -6.866 2.325 1.849
108 H GLN 14 H GLN 14 -4.915 -1.281 4.251
109 HA GLN 14 HA GLN 14 -2.805 -1.646 6.028
110 HB2 GLN 14 1HB GLN 14 -4.720 -3.722 4.950
111 HB3 GLN 14 2HB GLN 14 -3.673 -3.945 6.340
112 HG2 GLN 14 1HG GLN 14 -4.730 -1.949 7.408
113 HG3 GLN 14 2HG GLN 14 -5.863 -1.899 6.063
114 HE21 GLN 14 2HE2 GLN 14 -7.795 -2.574 7.062
115 HE22 GLN 14 1HE2 GLN 14 -7.969 -4.057 7.870
116 H GLN 15 H GLN 15 -3.323 -3.335 2.920
117 HA GLN 15 HA GLN 15 -0.739 -4.683 3.223
118 HB2 GLN 15 1HB GLN 15 -1.118 -5.345 0.794
119 HB3 GLN 15 2HB GLN 15 -2.329 -5.902 1.942
120 HG2 GLN 15 1HG GLN 15 -3.795 -4.052 1.335
121 HG3 GLN 15 2HG GLN 15 -2.581 -3.438 0.209
122 HE21 GLN 15 2HE2 GLN 15 -4.222 -3.780 -1.546
123 HE22 GLN 15 1HE2 GLN 15 -4.463 -5.342 -2.167
124 H ALA 16 H ALA 16 -1.963 -1.831 1.573
125 HA ALA 16 HA ALA 16 0.298 -1.271 -0.064
126 HB1 ALA 16 3HB ALA 16 -0.636 0.863 -0.327
127 HB2 ALA 16 1HB ALA 16 -1.217 0.932 1.339
128 HB3 ALA 16 2HB ALA 16 -2.045 -0.082 0.157
129 H THR 17 H THR 17 -0.320 -0.554 3.380
130 HA THR 17 HA THR 17 1.886 1.133 3.847
131 HB THR 17 HB THR 17 0.188 -0.703 5.484
132 HG1 THR 17 HG1 THR 17 -0.095 1.631 4.922
133 HG21 THR 17 3HG2 THR 17 1.582 0.076 7.511
134 HG22 THR 17 1HG2 THR 17 2.872 0.355 6.340
135 HG23 THR 17 2HG2 THR 17 2.205 -1.264 6.548
136 H SER 18 H SER 18 1.705 -2.444 3.944
137 HA SER 18 HA SER 18 4.435 -2.823 4.684
138 HB2 SER 18 1HB SER 18 4.002 -5.068 3.322
139 HB3 SER 18 2HB SER 18 3.215 -4.796 4.869
140 HG SER 18 HG SER 18 1.975 -3.815 2.575
141 H ILE 19 H ILE 19 2.864 -2.689 1.468
142 HA ILE 19 HA ILE 19 5.117 -3.077 -0.129
143 HB ILE 19 HB ILE 19 2.563 -1.511 -0.396
144 HG12 ILE 19 1HG1 ILE 19 2.431 -3.111 -2.452
145 HG13 ILE 19 2HG1 ILE 19 3.762 -3.954 -1.692
146 HG21 ILE 19 1HG2 ILE 19 3.975 -0.067 -1.600
147 HG22 ILE 19 2HG2 ILE 19 3.249 -1.103 -2.824
148 HG23 ILE 19 3HG2 ILE 19 4.902 -1.400 -2.282
149 HD11 ILE 19 3HD1 ILE 19 2.389 -4.142 0.388
150 HD12 ILE 19 1HD1 ILE 19 1.706 -4.999 -0.990
151 HD13 ILE 19 2HD1 ILE 19 1.040 -3.441 -0.507
152 H GLU 20 H GLU 20 4.509 -0.555 2.116
153 HA GLU 20 HA GLU 20 5.978 1.534 0.765
154 HB2 GLU 20 1HB GLU 20 4.297 1.675 2.777
155 HB3 GLU 20 2HB GLU 20 5.727 1.396 3.764
156 HG2 GLU 20 1HG GLU 20 6.815 3.317 2.444
157 HG3 GLU 20 2HG GLU 20 5.189 3.689 1.872
158 H ARG 21 H ARG 21 6.934 -0.505 3.594
159 HA ARG 21 HA ARG 21 9.658 0.387 3.454
160 HB2 ARG 21 1HB ARG 21 9.889 -2.015 4.752
161 HB3 ARG 21 2HB ARG 21 9.403 -0.522 5.538
162 HG2 ARG 21 1HG ARG 21 7.259 -2.171 4.241
163 HG3 ARG 21 2HG ARG 21 7.940 -2.750 5.752
164 HD2 ARG 21 1HD ARG 21 7.437 -0.574 6.816
165 HD3 ARG 21 2HD ARG 21 6.722 -0.007 5.313
166 HE ARG 21 HE ARG 21 4.815 -1.338 5.765
167 HH11 ARG 21 1HH2 ARG 21 7.494 -2.107 7.797
168 HH12 ARG 21 2HH2 ARG 21 6.576 -3.141 8.840
169 HH21 ARG 21 1HH1 ARG 21 3.602 -2.681 7.116
170 HH22 ARG 21 2HH1 ARG 21 4.372 -3.467 8.454
171 H LEU 22 H LEU 22 7.904 -1.877 1.540
172 HA LEU 22 HA LEU 22 10.300 -3.395 0.731
173 HB2 LEU 22 1HB LEU 22 7.574 -3.346 -0.595
174 HB3 LEU 22 2HB LEU 22 8.829 -4.550 -0.795
175 HG LEU 22 HG LEU 22 7.069 -4.089 1.557
176 HD11 LEU 22 1HD1 LEU 22 6.358 -5.694 -0.140
177 HD12 LEU 22 2HD1 LEU 22 6.752 -6.523 1.365
178 HD13 LEU 22 3HD1 LEU 22 7.896 -6.541 0.023
179 HD21 LEU 22 3HD2 LEU 22 8.505 -5.801 2.770
180 HD22 LEU 22 1HD2 LEU 22 9.218 -4.196 2.623
181 HD23 LEU 22 2HD2 LEU 22 9.740 -5.496 1.551
182 H CYS 23 H CYS 23 7.961 -1.434 -1.127
183 HA CYS 23 HA CYS 23 9.389 -1.056 -3.467
184 HB2 CYS 23 1HB CYS 23 7.489 0.652 -1.910
185 HB3 CYS 23 2HB CYS 23 8.331 1.404 -3.260
186 HG CYS 23 HG CYS 23 7.263 -1.157 -4.293
187 H GLN 24 H GLN 24 9.592 1.218 -0.692
188 HA GLN 24 HA GLN 24 11.635 2.854 -1.580
189 HB2 GLN 24 1HB GLN 24 11.080 1.748 1.181
190 HB3 GLN 24 2HB GLN 24 12.263 3.011 0.875
191 HG2 GLN 24 1HG GLN 24 10.547 4.457 -0.078
192 HG3 GLN 24 2HG GLN 24 9.344 3.178 0.092
193 HE21 GLN 24 2HE2 GLN 24 11.142 2.709 2.774
194 HE22 GLN 24 1HE2 GLN 24 10.351 3.740 3.865
195 H HIS 25 H HIS 25 11.879 -0.453 -0.402
196 HA HIS 25 HA HIS 25 14.846 -0.369 -0.546
197 HB2 HIS 25 1HB HIS 25 13.304 -1.570 1.264
198 HB3 HIS 25 2HB HIS 25 13.272 -2.862 0.078
199 HD1 HIS 25 HD1 HIS 25 15.851 -0.716 1.903
200 HD2 HIS 25 HD2 HIS 25 15.506 -4.498 0.180
201 HE1 HIS 25 HE1 HIS 25 18.017 -1.933 2.407
202 HE2 HIS 25 HE2 HIS 25 17.816 -4.236 1.363
203 H TYR 26 H TYR 26 12.311 -2.599 -1.656
204 HA TYR 26 HA TYR 26 13.638 -4.106 -3.516
205 HB2 TYR 26 1HB TYR 26 10.856 -3.010 -3.391
206 HB3 TYR 26 2HB TYR 26 11.344 -3.769 -4.902
207 HD1 TYR 26 HD1 TYR 26 11.247 -4.334 -1.203
208 HD2 TYR 26 HD2 TYR 26 11.335 -6.121 -5.109
209 HE1 TYR 26 HE1 TYR 26 10.882 -6.568 -0.192
210 HE2 TYR 26 HE2 TYR 26 10.970 -8.354 -4.096
211 HH TYR 26 HH TYR 26 11.246 -8.910 -0.728
212 H ILE 27 H ILE 27 11.811 -1.251 -4.723
213 HA ILE 27 HA ILE 27 13.604 -1.176 -7.038
214 HB ILE 27 HB ILE 27 11.175 -0.766 -7.304
215 HG12 ILE 27 1HG1 ILE 27 12.825 1.657 -7.979
216 HG13 ILE 27 2HG1 ILE 27 12.930 0.142 -8.854
217 HG21 ILE 27 1HG2 ILE 27 10.394 1.565 -6.660
218 HG22 ILE 27 2HG2 ILE 27 11.774 1.633 -5.586
219 HG23 ILE 27 3HG2 ILE 27 10.544 0.402 -5.350
220 HD11 ILE 27 3HD1 ILE 27 10.546 1.978 -8.625
221 HD12 ILE 27 1HD1 ILE 27 10.419 0.326 -9.228
222 HD13 ILE 27 2HD1 ILE 27 11.407 1.506 -10.088
223 H GLY 28 H GLY 28 13.157 0.639 -4.078
224 HA2 GLY 28 1HA GLY 28 15.213 1.791 -3.212
225 HA3 GLY 28 2HA GLY 28 15.466 2.399 -4.847
226 H TRP 29 H TRP 29 12.823 3.073 -5.491
227 HA TRP 29 HA TRP 29 12.160 5.239 -3.524
228 HB2 TRP 29 1HB TRP 29 11.650 6.696 -5.423
229 HB3 TRP 29 2HB TRP 29 13.301 6.093 -5.576
230 HD1 TRP 29 HD1 TRP 29 13.421 3.672 -7.050
231 HE1 TRP 29 HE1 TRP 29 12.263 3.171 -9.299
232 HE3 TRP 29 HE3 TRP 29 9.824 7.293 -7.024
233 HZ2 TRP 29 HZ2 TRP 29 10.133 4.181 -10.885
234 HZ3 TRP 29 HZ3 TRP 29 8.248 7.508 -8.927
235 HH2 TRP 29 HH2 TRP 29 8.396 5.953 -10.857
236 H CYS 30 H CYS 30 9.824 6.124 -4.800
237 HA CYS 30 HA CYS 30 8.026 3.850 -4.240
238 HB2 CYS 30 1HB CYS 30 6.287 5.758 -4.623
239 HB3 CYS 30 2HB CYS 30 7.295 5.809 -3.178
240 HG CYS 30 HG CYS 30 8.668 7.304 -5.405
241 HA PRO 31 HA PRO 31 7.847 3.505 -8.795
242 HB2 PRO 31 1HB PRO 31 6.612 1.059 -8.934
243 HB3 PRO 31 2HB PRO 31 8.349 1.263 -8.673
244 HG2 PRO 31 1HG PRO 31 6.233 0.542 -6.736
245 HG3 PRO 31 2HG PRO 31 7.950 0.106 -6.752
246 HD2 PRO 31 1HD PRO 31 6.784 2.100 -5.135
247 HD3 PRO 31 2HD PRO 31 8.515 1.914 -5.456
248 H PHE 32 H PHE 32 5.135 2.781 -6.634
249 HA PHE 32 HA PHE 32 3.127 3.295 -8.675
250 HB2 PHE 32 1HB PHE 32 3.110 2.622 -5.749
251 HB3 PHE 32 2HB PHE 32 1.657 3.319 -6.455
252 HD1 PHE 32 HD2 PHE 32 4.070 1.058 -8.194
253 HD2 PHE 32 HD1 PHE 32 0.193 1.445 -6.380
254 HE1 PHE 32 HE2 PHE 32 3.426 -1.154 -9.098
255 HE2 PHE 32 HE1 PHE 32 -0.448 -0.770 -7.288
256 HZ PHE 32 HZ PHE 32 1.168 -2.070 -8.646
257 H TRP 33 H TRP 33 3.655 4.876 -5.505
258 HA TRP 33 HA TRP 33 2.631 7.412 -6.638
259 HB2 TRP 33 1HB TRP 33 3.041 8.097 -4.121
260 HB3 TRP 33 2HB TRP 33 1.670 7.069 -4.534
261 HD1 TRP 33 HD1 TRP 33 5.034 7.031 -2.797
262 HE1 TRP 33 HE1 TRP 33 5.321 4.780 -1.561
263 HE3 TRP 33 HE3 TRP 33 0.980 4.518 -4.598
264 HZ2 TRP 33 HZ2 TRP 33 4.009 2.258 -1.374
265 HZ3 TRP 33 HZ3 TRP 33 0.524 2.190 -3.890
266 HH2 TRP 33 HH2 TRP 33 2.028 1.051 -2.273
Start of MODEL 15
1 H1 ASN 1 1H ASN 1 -23.961 -0.112 -2.761
2 H2 ASN 1 2H ASN 1 -23.038 -0.934 -1.596
3 H3 ASN 1 3H ASN 1 -23.380 0.718 -1.402
4 HA ASN 1 HA ASN 1 -25.851 -0.183 -1.555
5 HB2 ASN 1 1HB ASN 1 -25.938 -2.302 -0.228
6 HB3 ASN 1 2HB ASN 1 -25.189 -2.516 -1.811
7 HD21 ASN 1 2HD2 ASN 1 -23.057 -0.760 0.117
8 HD22 ASN 1 1HD2 ASN 1 -22.091 -2.041 0.670
9 H GLU 2 H GLU 2 -25.287 -1.595 1.306
10 HA GLU 2 HA GLU 2 -25.655 0.898 2.779
11 HB2 GLU 2 1HB GLU 2 -26.732 -1.361 3.332
12 HB3 GLU 2 2HB GLU 2 -25.157 -1.834 3.970
13 HG2 GLU 2 1HG GLU 2 -25.191 0.022 5.550
14 HG3 GLU 2 2HG GLU 2 -26.701 0.619 4.862
15 H LEU 3 H LEU 3 -23.283 -1.745 3.152
16 HA LEU 3 HA LEU 3 -21.436 -0.517 4.824
17 HB2 LEU 3 1HB LEU 3 -20.632 -2.069 2.354
18 HB3 LEU 3 2HB LEU 3 -19.727 -1.904 3.858
19 HG LEU 3 HG LEU 3 -22.246 -3.492 3.340
20 HD11 LEU 3 1HD1 LEU 3 -20.059 -4.573 3.021
21 HD12 LEU 3 2HD1 LEU 3 -20.890 -5.262 4.417
22 HD13 LEU 3 3HD1 LEU 3 -19.582 -4.100 4.651
23 HD21 LEU 3 3HD2 LEU 3 -22.798 -2.332 5.374
24 HD22 LEU 3 1HD2 LEU 3 -21.158 -2.517 6.000
25 HD23 LEU 3 2HD2 LEU 3 -22.214 -3.922 5.860
26 H ASP 4 H ASP 4 -19.264 0.439 4.207
27 HA ASP 4 HA ASP 4 -19.605 2.762 2.576
28 HB2 ASP 4 1HB ASP 4 -17.230 1.370 3.761
29 HB3 ASP 4 2HB ASP 4 -17.007 2.739 2.687
30 H VAL 5 H VAL 5 -17.878 3.014 0.675
31 HA VAL 5 HA VAL 5 -18.355 0.680 -1.112
32 HB VAL 5 HB VAL 5 -18.267 3.635 -1.480
33 HG11 VAL 5 1HG1 VAL 5 -18.094 3.265 -3.973
34 HG12 VAL 5 2HG1 VAL 5 -17.574 1.616 -3.634
35 HG13 VAL 5 3HG1 VAL 5 -16.579 2.980 -3.106
36 HG21 VAL 5 3HG2 VAL 5 -20.333 2.234 -1.187
37 HG22 VAL 5 1HG2 VAL 5 -19.967 1.494 -2.752
38 HG23 VAL 5 2HG2 VAL 5 -20.306 3.223 -2.656
39 HA PRO 6 HA PRO 6 -13.806 1.381 -1.924
40 HB2 PRO 6 1HB PRO 6 -12.436 3.478 -1.071
41 HB3 PRO 6 2HB PRO 6 -13.692 3.712 -2.311
42 HG2 PRO 6 1HG PRO 6 -13.893 4.099 0.653
43 HG3 PRO 6 2HG PRO 6 -14.304 5.241 -0.649
44 HD2 PRO 6 1HD PRO 6 -16.188 3.624 0.514
45 HD3 PRO 6 2HD PRO 6 -16.262 4.152 -1.173
46 H GLU 7 H GLU 7 -15.100 0.598 0.687
47 HA GLU 7 HA GLU 7 -13.329 0.888 2.853
48 HB2 GLU 7 1HB GLU 7 -15.682 -0.574 2.349
49 HB3 GLU 7 2HB GLU 7 -14.505 -1.827 2.726
50 HG2 GLU 7 1HG GLU 7 -15.005 0.620 4.451
51 HG3 GLU 7 2HG GLU 7 -15.734 -0.961 4.734
52 H GLN 8 H GLN 8 -13.160 -1.383 0.124
53 HA GLN 8 HA GLN 8 -11.086 -3.040 1.061
54 HB2 GLN 8 1HB GLN 8 -11.047 -1.965 -1.762
55 HB3 GLN 8 2HB GLN 8 -10.656 -3.589 -1.190
56 HG2 GLN 8 1HG GLN 8 -13.143 -3.695 -0.437
57 HG3 GLN 8 2HG GLN 8 -13.371 -2.310 -1.505
58 HE21 GLN 8 2HE2 GLN 8 -12.396 -5.739 -1.443
59 HE22 GLN 8 1HE2 GLN 8 -12.629 -6.007 -3.103
60 H VAL 9 H VAL 9 -10.895 0.174 -0.416
61 HA VAL 9 HA VAL 9 -8.166 0.620 -0.588
62 HB VAL 9 HB VAL 9 -10.220 2.513 0.571
63 HG11 VAL 9 1HG1 VAL 9 -8.586 4.194 -0.551
64 HG12 VAL 9 2HG1 VAL 9 -7.416 2.879 -0.424
65 HG13 VAL 9 3HG1 VAL 9 -8.189 3.521 1.033
66 HG21 VAL 9 3HG2 VAL 9 -9.395 1.877 -2.262
67 HG22 VAL 9 1HG2 VAL 9 -10.271 3.345 -1.828
68 HG23 VAL 9 2HG2 VAL 9 -11.007 1.763 -1.549
69 H ASP 10 H ASP 10 -10.033 1.742 2.186
70 HA ASP 10 HA ASP 10 -8.006 2.168 4.020
71 HB2 ASP 10 1HB ASP 10 -10.278 2.734 4.520
72 HB3 ASP 10 2HB ASP 10 -10.799 1.052 4.398
73 H LYS 11 H LYS 11 -9.367 -0.926 3.029
74 HA LYS 11 HA LYS 11 -7.838 -2.421 5.040
75 HB2 LYS 11 1HB LYS 11 -9.335 -3.381 2.582
76 HB3 LYS 11 2HB LYS 11 -8.658 -4.421 3.830
77 HG2 LYS 11 1HG LYS 11 -10.117 -3.286 5.504
78 HG3 LYS 11 2HG LYS 11 -10.849 -2.360 4.198
79 HD2 LYS 11 1HD LYS 11 -11.349 -4.638 3.095
80 HD3 LYS 11 2HD LYS 11 -10.970 -5.342 4.668
81 HE2 LYS 11 1HE LYS 11 -12.662 -3.648 5.629
82 HE3 LYS 11 2HE LYS 11 -13.194 -3.429 3.961
83 HZ1 LYS 11 3HZ LYS 11 -13.845 -5.647 3.804
84 HZ2 LYS 11 1HZ LYS 11 -14.374 -5.180 5.347
85 HZ3 LYS 11 2HZ LYS 11 -12.963 -6.112 5.179
86 H LEU 12 H LEU 12 -7.628 -1.626 1.602
87 HA LEU 12 HA LEU 12 -5.362 -3.187 0.953
88 HB2 LEU 12 1HB LEU 12 -6.293 -0.539 -0.008
89 HB3 LEU 12 2HB LEU 12 -4.944 -1.366 -0.705
90 HG LEU 12 HG LEU 12 -7.738 -1.689 -1.292
91 HD11 LEU 12 1HD1 LEU 12 -5.257 -3.053 -2.299
92 HD12 LEU 12 2HD1 LEU 12 -5.957 -1.557 -2.926
93 HD13 LEU 12 3HD1 LEU 12 -6.821 -3.085 -3.119
94 HD21 LEU 12 3HD2 LEU 12 -8.054 -4.068 -1.238
95 HD22 LEU 12 1HD2 LEU 12 -7.641 -3.589 0.399
96 HD23 LEU 12 2HD2 LEU 12 -6.426 -4.337 -0.634
97 H ILE 13 H ILE 13 -5.580 0.186 1.995
98 HA ILE 13 HA ILE 13 -2.979 0.935 2.308
99 HB ILE 13 HB ILE 13 -5.505 1.366 3.836
100 HG12 ILE 13 1HG1 ILE 13 -5.005 3.708 3.249
101 HG13 ILE 13 2HG1 ILE 13 -3.497 3.199 2.505
102 HG21 ILE 13 1HG2 ILE 13 -4.100 1.303 5.733
103 HG22 ILE 13 2HG2 ILE 13 -4.216 3.017 5.322
104 HG23 ILE 13 3HG2 ILE 13 -2.770 2.095 4.881
105 HD11 ILE 13 3HD1 ILE 13 -5.234 3.473 0.805
106 HD12 ILE 13 1HD1 ILE 13 -6.283 2.368 1.683
107 HD13 ILE 13 2HD1 ILE 13 -4.799 1.772 0.944
108 H GLN 14 H GLN 14 -4.817 -1.048 4.652
109 HA GLN 14 HA GLN 14 -2.785 -1.346 6.563
110 HB2 GLN 14 1HB GLN 14 -4.931 -3.321 5.760
111 HB3 GLN 14 2HB GLN 14 -3.965 -3.415 7.218
112 HG2 GLN 14 1HG GLN 14 -4.788 -1.125 7.841
113 HG3 GLN 14 2HG GLN 14 -5.896 -1.228 6.477
114 HE21 GLN 14 2HE2 GLN 14 -7.894 -1.463 7.586
115 HE22 GLN 14 1HE2 GLN 14 -8.229 -2.747 8.645
116 H GLN 15 H GLN 15 -3.497 -3.442 3.742
117 HA GLN 15 HA GLN 15 -1.004 -4.930 4.291
118 HB2 GLN 15 1HB GLN 15 -1.592 -6.248 2.263
119 HB3 GLN 15 2HB GLN 15 -2.867 -6.230 3.472
120 HG2 GLN 15 1HG GLN 15 -3.976 -5.855 1.418
121 HG3 GLN 15 2HG GLN 15 -3.861 -4.280 2.185
122 HE21 GLN 15 2HE2 GLN 15 -3.710 -2.956 0.290
123 HE22 GLN 15 1HE2 GLN 15 -2.444 -3.089 -0.833
124 H ALA 16 H ALA 16 -1.580 -2.000 3.041
125 HA ALA 16 HA ALA 16 0.266 -2.186 0.726
126 HB1 ALA 16 3HB ALA 16 -0.794 0.401 1.830
127 HB2 ALA 16 1HB ALA 16 -1.901 -0.697 1.007
128 HB3 ALA 16 2HB ALA 16 -0.494 -0.060 0.154
129 H THR 17 H THR 17 0.186 -1.018 4.071
130 HA THR 17 HA THR 17 2.480 0.567 4.148
131 HB THR 17 HB THR 17 1.054 -1.227 6.066
132 HG1 THR 17 HG1 THR 17 0.302 0.764 6.112
133 HG21 THR 17 3HG2 THR 17 3.222 -1.805 6.772
134 HG22 THR 17 1HG2 THR 17 2.764 -0.472 7.829
135 HG23 THR 17 2HG2 THR 17 3.850 -0.187 6.468
136 H SER 18 H SER 18 2.197 -2.969 4.051
137 HA SER 18 HA SER 18 5.002 -3.501 4.438
138 HB2 SER 18 1HB SER 18 4.277 -5.705 3.204
139 HB3 SER 18 2HB SER 18 3.634 -5.371 4.806
140 HG SER 18 HG SER 18 2.350 -5.591 2.441
141 H ILE 19 H ILE 19 2.939 -3.237 1.534
142 HA ILE 19 HA ILE 19 4.868 -3.734 -0.423
143 HB ILE 19 HB ILE 19 2.337 -2.137 -0.235
144 HG12 ILE 19 1HG1 ILE 19 1.877 -3.680 -2.309
145 HG13 ILE 19 2HG1 ILE 19 3.293 -4.553 -1.755
146 HG21 ILE 19 1HG2 ILE 19 4.294 -1.943 -2.506
147 HG22 ILE 19 2HG2 ILE 19 3.518 -0.642 -1.606
148 HG23 ILE 19 3HG2 ILE 19 2.569 -1.629 -2.712
149 HD11 ILE 19 3HD1 ILE 19 0.651 -4.195 -0.394
150 HD12 ILE 19 1HD1 ILE 19 2.092 -4.514 0.571
151 HD13 ILE 19 2HD1 ILE 19 1.577 -5.672 -0.652
152 H GLU 20 H GLU 20 4.283 -0.874 1.543
153 HA GLU 20 HA GLU 20 5.843 1.010 0.110
154 HB2 GLU 20 1HB GLU 20 4.365 1.266 2.273
155 HB3 GLU 20 2HB GLU 20 5.865 0.928 3.129
156 HG2 GLU 20 1HG GLU 20 6.953 2.784 1.827
157 HG3 GLU 20 2HG GLU 20 5.370 3.176 1.154
158 H ARG 21 H ARG 21 6.804 -1.293 2.656
159 HA ARG 21 HA ARG 21 9.570 -0.579 2.698
160 HB2 ARG 21 1HB ARG 21 8.015 -3.051 3.457
161 HB3 ARG 21 2HB ARG 21 9.775 -3.060 3.518
162 HG2 ARG 21 1HG ARG 21 8.669 -2.430 5.698
163 HG3 ARG 21 2HG ARG 21 9.804 -1.226 5.088
164 HD2 ARG 21 1HD ARG 21 8.052 0.186 4.314
165 HD3 ARG 21 2HD ARG 21 6.847 -1.092 4.480
166 HE ARG 21 HE ARG 21 7.851 0.617 6.635
167 HH11 ARG 21 1HH2 ARG 21 6.392 -2.362 5.700
168 HH12 ARG 21 2HH2 ARG 21 5.632 -2.626 7.234
169 HH21 ARG 21 1HH1 ARG 21 6.867 0.291 8.646
170 HH22 ARG 21 2HH1 ARG 21 5.902 -1.124 8.902
171 H LEU 22 H LEU 22 7.798 -3.060 0.836
172 HA LEU 22 HA LEU 22 10.051 -4.132 -0.544
173 HB2 LEU 22 1HB LEU 22 7.270 -3.788 -1.686
174 HB3 LEU 22 2HB LEU 22 8.461 -4.980 -2.142
175 HG LEU 22 HG LEU 22 6.844 -4.842 0.348
176 HD11 LEU 22 1HD1 LEU 22 5.956 -6.114 -1.536
177 HD12 LEU 22 2HD1 LEU 22 6.404 -7.207 -0.225
178 HD13 LEU 22 3HD1 LEU 22 7.459 -7.031 -1.627
179 HD21 LEU 22 3HD2 LEU 22 9.440 -6.325 -0.060
180 HD22 LEU 22 1HD2 LEU 22 8.262 -6.799 1.162
181 HD23 LEU 22 2HD2 LEU 22 9.033 -5.218 1.250
182 H CYS 23 H CYS 23 8.332 -1.150 -0.881
183 HA CYS 23 HA CYS 23 9.403 -0.604 -3.570
184 HB2 CYS 23 1HB CYS 23 7.729 0.975 -1.611
185 HB3 CYS 23 2HB CYS 23 8.293 1.643 -3.135
186 HG CYS 23 HG CYS 23 6.906 -0.180 -4.400
187 H GLN 24 H GLN 24 9.543 1.279 -0.525
188 HA GLN 24 HA GLN 24 11.657 2.942 -1.175
189 HB2 GLN 24 1HB GLN 24 10.865 1.671 1.447
190 HB3 GLN 24 2HB GLN 24 12.149 2.867 1.335
191 HG2 GLN 24 1HG GLN 24 10.628 4.515 0.415
192 HG3 GLN 24 2HG GLN 24 9.337 3.317 0.311
193 HE21 GLN 24 2HE2 GLN 24 9.921 2.079 2.932
194 HE22 GLN 24 1HE2 GLN 24 9.438 3.200 4.111
195 H HIS 25 H HIS 25 11.765 -0.469 -0.582
196 HA HIS 25 HA HIS 25 14.702 -0.452 -0.200
197 HB2 HIS 25 1HB HIS 25 12.940 -1.957 1.047
198 HB3 HIS 25 2HB HIS 25 13.021 -2.951 -0.395
199 HD1 HIS 25 HD1 HIS 25 15.218 -4.235 -0.853
200 HD2 HIS 25 HD2 HIS 25 15.355 -1.898 2.600
201 HE1 HIS 25 HE1 HIS 25 17.312 -4.925 0.399
202 HE2 HIS 25 HE2 HIS 25 17.405 -3.508 2.501
203 H TYR 26 H TYR 26 12.561 -2.521 -2.140
204 HA TYR 26 HA TYR 26 14.486 -3.285 -4.040
205 HB2 TYR 26 1HB TYR 26 11.540 -2.931 -4.606
206 HB3 TYR 26 2HB TYR 26 12.655 -4.008 -5.421
207 HD1 TYR 26 HD1 TYR 26 13.931 -4.518 -2.309
208 HD2 TYR 26 HD2 TYR 26 10.168 -5.087 -4.344
209 HE1 TYR 26 HE1 TYR 26 13.360 -6.334 -0.761
210 HE2 TYR 26 HE2 TYR 26 9.622 -6.913 -2.773
211 HH TYR 26 HH TYR 26 10.602 -8.398 -1.268
212 H ILE 27 H ILE 27 11.890 -0.903 -4.933
213 HA ILE 27 HA ILE 27 13.633 -0.009 -7.079
214 HB ILE 27 HB ILE 27 11.161 -0.000 -7.352
215 HG12 ILE 27 1HG1 ILE 27 12.392 2.738 -7.556
216 HG13 ILE 27 2HG1 ILE 27 12.754 1.434 -8.668
217 HG21 ILE 27 1HG2 ILE 27 11.343 2.059 -5.170
218 HG22 ILE 27 2HG2 ILE 27 10.249 0.699 -5.316
219 HG23 ILE 27 3HG2 ILE 27 10.042 2.109 -6.344
220 HD11 ILE 27 3HD1 ILE 27 11.049 2.676 -9.740
221 HD12 ILE 27 1HD1 ILE 27 10.131 2.854 -8.247
222 HD13 ILE 27 2HD1 ILE 27 10.218 1.284 -9.049
223 H GLY 28 H GLY 28 12.908 1.119 -3.844
224 HA2 GLY 28 1HA GLY 28 14.676 2.447 -2.709
225 HA3 GLY 28 2HA GLY 28 14.913 3.322 -4.220
226 H TRP 29 H TRP 29 12.130 3.644 -4.855
227 HA TRP 29 HA TRP 29 11.140 5.393 -2.632
228 HB2 TRP 29 1HB TRP 29 10.575 7.112 -4.265
229 HB3 TRP 29 2HB TRP 29 12.281 6.702 -4.450
230 HD1 TRP 29 HD1 TRP 29 12.671 4.593 -6.291
231 HE1 TRP 29 HE1 TRP 29 11.630 4.369 -8.644
232 HE3 TRP 29 HE3 TRP 29 8.752 7.826 -5.834
233 HZ2 TRP 29 HZ2 TRP 29 9.458 5.440 -10.134
234 HZ3 TRP 29 HZ3 TRP 29 7.215 8.214 -7.741
235 HH2 TRP 29 HH2 TRP 29 7.562 7.020 -9.889
236 H CYS 30 H CYS 30 8.755 6.192 -3.791
237 HA CYS 30 HA CYS 30 7.265 3.653 -3.824
238 HB2 CYS 30 1HB CYS 30 5.295 5.327 -3.951
239 HB3 CYS 30 2HB CYS 30 6.254 5.299 -2.474
240 HG CYS 30 HG CYS 30 6.758 7.678 -2.903
241 HA PRO 31 HA PRO 31 7.351 4.121 -8.366
242 HB2 PRO 31 1HB PRO 31 6.360 1.655 -9.026
243 HB3 PRO 31 2HB PRO 31 8.047 1.940 -8.586
244 HG2 PRO 31 1HG PRO 31 5.863 0.749 -6.978
245 HG3 PRO 31 2HG PRO 31 7.604 0.416 -6.948
246 HD2 PRO 31 1HD PRO 31 6.234 2.005 -5.083
247 HD3 PRO 31 2HD PRO 31 7.987 2.014 -5.345
248 H PHE 32 H PHE 32 4.610 2.944 -6.488
249 HA PHE 32 HA PHE 32 2.665 3.541 -8.575
250 HB2 PHE 32 1HB PHE 32 2.456 2.610 -5.708
251 HB3 PHE 32 2HB PHE 32 1.047 2.931 -6.712
252 HD1 PHE 32 HD2 PHE 32 0.821 1.694 -8.938
253 HD2 PHE 32 HD1 PHE 32 3.645 0.568 -5.904
254 HE1 PHE 32 HE2 PHE 32 1.051 -0.545 -9.982
255 HE2 PHE 32 HE1 PHE 32 3.876 -1.670 -6.948
256 HZ PHE 32 HZ PHE 32 2.579 -2.226 -8.987
257 H TRP 33 H TRP 33 2.743 4.595 -5.162
258 HA TRP 33 HA TRP 33 1.684 7.242 -6.023
259 HB2 TRP 33 1HB TRP 33 1.362 7.460 -3.465
260 HB3 TRP 33 2HB TRP 33 0.321 6.331 -4.322
261 HD1 TRP 33 HD1 TRP 33 3.225 6.480 -1.870
262 HE1 TRP 33 HE1 TRP 33 3.576 4.135 -0.850
263 HE3 TRP 33 HE3 TRP 33 0.028 3.759 -4.777
264 HZ2 TRP 33 HZ2 TRP 33 2.631 1.477 -1.214
265 HZ3 TRP 33 HZ3 TRP 33 -0.225 1.320 -4.422
266 HH2 TRP 33 HH2 TRP 33 1.071 0.171 -2.642
Start of MODEL 16
1 H1 ASN 1 1H ASN 1 -27.406 0.186 7.145
2 H2 ASN 1 2H ASN 1 -27.385 -1.020 5.949
3 H3 ASN 1 3H ASN 1 -28.584 0.182 5.924
4 HA ASN 1 HA ASN 1 -27.292 1.645 4.875
5 HB2 ASN 1 1HB ASN 1 -24.861 0.634 6.365
6 HB3 ASN 1 2HB ASN 1 -25.093 2.212 5.610
7 HD21 ASN 1 2HD2 ASN 1 -25.579 0.386 8.526
8 HD22 ASN 1 1HD2 ASN 1 -26.398 1.594 9.393
9 H GLU 2 H GLU 2 -24.401 0.990 4.223
10 HA GLU 2 HA GLU 2 -24.547 -1.555 2.783
11 HB2 GLU 2 1HB GLU 2 -24.481 -0.692 0.559
12 HB3 GLU 2 2HB GLU 2 -25.807 0.151 1.353
13 HG2 GLU 2 1HG GLU 2 -23.026 1.207 0.782
14 HG3 GLU 2 2HG GLU 2 -24.559 1.818 0.165
15 H LEU 3 H LEU 3 -22.464 -2.103 1.810
16 HA LEU 3 HA LEU 3 -20.210 -1.490 3.350
17 HB2 LEU 3 1HB LEU 3 -20.108 -2.048 0.380
18 HB3 LEU 3 2HB LEU 3 -18.862 -2.390 1.581
19 HG LEU 3 HG LEU 3 -21.530 -3.767 1.206
20 HD11 LEU 3 1HD1 LEU 3 -19.606 -4.614 -0.053
21 HD12 LEU 3 2HD1 LEU 3 -20.060 -5.767 1.203
22 HD13 LEU 3 3HD1 LEU 3 -18.662 -4.713 1.433
23 HD21 LEU 3 3HD2 LEU 3 -21.460 -3.444 3.581
24 HD22 LEU 3 1HD2 LEU 3 -19.724 -3.752 3.641
25 HD23 LEU 3 2HD2 LEU 3 -20.845 -5.073 3.308
26 H ASP 4 H ASP 4 -18.493 -0.013 3.141
27 HA ASP 4 HA ASP 4 -19.141 2.556 2.033
28 HB2 ASP 4 1HB ASP 4 -16.651 1.304 3.133
29 HB3 ASP 4 2HB ASP 4 -16.578 2.886 2.374
30 H VAL 5 H VAL 5 -17.261 3.446 0.417
31 HA VAL 5 HA VAL 5 -17.421 1.586 -1.896
32 HB VAL 5 HB VAL 5 -17.406 4.542 -1.533
33 HG11 VAL 5 1HG1 VAL 5 -15.524 4.321 -3.067
34 HG12 VAL 5 2HG1 VAL 5 -16.946 4.802 -4.002
35 HG13 VAL 5 3HG1 VAL 5 -16.407 3.124 -4.024
36 HG21 VAL 5 3HG2 VAL 5 -19.291 4.398 -2.998
37 HG22 VAL 5 1HG2 VAL 5 -19.431 3.076 -1.828
38 HG23 VAL 5 2HG2 VAL 5 -18.867 2.752 -3.475
39 HA PRO 6 HA PRO 6 -12.837 2.496 -2.001
40 HB2 PRO 6 1HB PRO 6 -11.638 4.320 -0.502
41 HB3 PRO 6 2HB PRO 6 -12.749 4.855 -1.787
42 HG2 PRO 6 1HG PRO 6 -13.307 4.489 1.136
43 HG3 PRO 6 2HG PRO 6 -13.601 5.917 0.117
44 HD2 PRO 6 1HD PRO 6 -15.557 4.056 0.611
45 HD3 PRO 6 2HD PRO 6 -15.449 4.984 -0.892
46 H GLU 7 H GLU 7 -14.442 1.179 0.235
47 HA GLU 7 HA GLU 7 -12.952 0.880 2.574
48 HB2 GLU 7 1HB GLU 7 -15.219 -0.296 1.547
49 HB3 GLU 7 2HB GLU 7 -14.106 -1.657 1.491
50 HG2 GLU 7 1HG GLU 7 -13.541 -1.161 3.910
51 HG3 GLU 7 2HG GLU 7 -14.865 0.002 3.901
52 H GLN 8 H GLN 8 -12.385 -0.655 -0.581
53 HA GLN 8 HA GLN 8 -10.427 -2.528 0.188
54 HB2 GLN 8 1HB GLN 8 -10.030 -0.789 -2.254
55 HB3 GLN 8 2HB GLN 8 -9.693 -2.511 -2.055
56 HG2 GLN 8 1HG GLN 8 -12.241 -2.778 -1.708
57 HG3 GLN 8 2HG GLN 8 -12.369 -1.151 -2.378
58 HE21 GLN 8 2HE2 GLN 8 -11.500 -4.498 -3.140
59 HE22 GLN 8 1HE2 GLN 8 -11.438 -4.285 -4.822
60 H VAL 9 H VAL 9 -10.117 0.946 -0.396
61 HA VAL 9 HA VAL 9 -7.390 1.384 -0.098
62 HB VAL 9 HB VAL 9 -9.639 2.969 1.175
63 HG11 VAL 9 1HG1 VAL 9 -7.901 4.855 0.755
64 HG12 VAL 9 2HG1 VAL 9 -6.729 3.537 0.724
65 HG13 VAL 9 3HG1 VAL 9 -7.718 3.807 2.164
66 HG21 VAL 9 3HG2 VAL 9 -8.382 3.055 -1.570
67 HG22 VAL 9 1HG2 VAL 9 -9.367 4.366 -0.921
68 HG23 VAL 9 2HG2 VAL 9 -10.076 2.768 -1.166
69 H ASP 10 H ASP 10 -9.643 1.841 2.579
70 HA ASP 10 HA ASP 10 -7.876 1.790 4.710
71 HB2 ASP 10 1HB ASP 10 -10.215 2.273 5.014
72 HB3 ASP 10 2HB ASP 10 -10.682 0.657 4.471
73 H LYS 11 H LYS 11 -9.116 -0.968 2.900
74 HA LYS 11 HA LYS 11 -7.867 -2.918 4.687
75 HB2 LYS 11 1HB LYS 11 -8.936 -3.228 1.867
76 HB3 LYS 11 2HB LYS 11 -8.450 -4.551 2.924
77 HG2 LYS 11 1HG LYS 11 -10.195 -3.937 4.526
78 HG3 LYS 11 2HG LYS 11 -10.660 -2.567 3.522
79 HD2 LYS 11 1HD LYS 11 -11.035 -4.273 1.640
80 HD3 LYS 11 2HD LYS 11 -10.923 -5.512 2.892
81 HE2 LYS 11 1HE LYS 11 -12.726 -4.245 4.152
82 HE3 LYS 11 2HE LYS 11 -12.932 -3.261 2.704
83 HZ1 LYS 11 3HZ LYS 11 -14.254 -4.843 1.932
84 HZ2 LYS 11 1HZ LYS 11 -13.901 -5.866 3.238
85 HZ3 LYS 11 2HZ LYS 11 -12.915 -5.887 1.855
86 H LEU 12 H LEU 12 -7.172 -1.411 1.570
87 HA LEU 12 HA LEU 12 -4.817 -2.820 0.909
88 HB2 LEU 12 1HB LEU 12 -5.616 0.006 0.454
89 HB3 LEU 12 2HB LEU 12 -4.194 -0.695 -0.236
90 HG LEU 12 HG LEU 12 -6.904 -0.788 -1.209
91 HD11 LEU 12 1HD1 LEU 12 -4.937 -0.307 -2.545
92 HD12 LEU 12 2HD1 LEU 12 -5.776 -1.714 -3.202
93 HD13 LEU 12 3HD1 LEU 12 -4.317 -1.928 -2.227
94 HD21 LEU 12 3HD2 LEU 12 -5.654 -3.538 -1.039
95 HD22 LEU 12 1HD2 LEU 12 -7.197 -3.109 -1.759
96 HD23 LEU 12 2HD2 LEU 12 -6.999 -3.031 -0.019
97 H ILE 13 H ILE 13 -5.154 0.284 2.579
98 HA ILE 13 HA ILE 13 -2.633 0.840 3.417
99 HB ILE 13 HB ILE 13 -5.340 1.037 4.654
100 HG12 ILE 13 1HG1 ILE 13 -4.731 3.436 4.649
101 HG13 ILE 13 2HG1 ILE 13 -3.158 3.031 3.979
102 HG21 ILE 13 1HG2 ILE 13 -4.200 0.542 6.655
103 HG22 ILE 13 2HG2 ILE 13 -4.226 2.307 6.595
104 HG23 ILE 13 3HG2 ILE 13 -2.754 1.426 6.150
105 HD11 ILE 13 3HD1 ILE 13 -4.670 3.718 2.192
106 HD12 ILE 13 1HD1 ILE 13 -5.859 2.532 2.716
107 HD13 ILE 13 2HD1 ILE 13 -4.325 1.999 2.030
108 H GLN 14 H GLN 14 -4.810 -1.387 5.192
109 HA GLN 14 HA GLN 14 -3.064 -2.211 7.185
110 HB2 GLN 14 1HB GLN 14 -5.084 -3.881 5.673
111 HB3 GLN 14 2HB GLN 14 -4.334 -4.342 7.188
112 HG2 GLN 14 1HG GLN 14 -5.209 -2.152 8.150
113 HG3 GLN 14 2HG GLN 14 -6.181 -2.029 6.689
114 HE21 GLN 14 2HE2 GLN 14 -8.263 -2.477 7.495
115 HE22 GLN 14 1HE2 GLN 14 -8.672 -3.916 8.299
116 H GLN 15 H GLN 15 -3.366 -3.534 3.898
117 HA GLN 15 HA GLN 15 -0.984 -5.228 4.390
118 HB2 GLN 15 1HB GLN 15 -1.458 -6.075 2.075
119 HB3 GLN 15 2HB GLN 15 -2.778 -6.304 3.214
120 HG2 GLN 15 1HG GLN 15 -3.978 -4.425 2.342
121 HG3 GLN 15 2HG GLN 15 -2.606 -3.943 1.344
122 HE21 GLN 15 2HE2 GLN 15 -3.869 -4.177 -0.642
123 HE22 GLN 15 1HE2 GLN 15 -4.277 -5.711 -1.245
124 H ALA 16 H ALA 16 -1.585 -2.099 3.358
125 HA ALA 16 HA ALA 16 0.430 -1.997 1.239
126 HB1 ALA 16 3HB ALA 16 -0.235 0.212 0.964
127 HB2 ALA 16 1HB ALA 16 -0.522 0.456 2.689
128 HB3 ALA 16 2HB ALA 16 -1.678 -0.461 1.720
129 H THR 17 H THR 17 0.352 -1.334 4.727
130 HA THR 17 HA THR 17 2.655 0.178 5.051
131 HB THR 17 HB THR 17 1.322 -1.979 6.675
132 HG1 THR 17 HG1 THR 17 1.750 0.382 7.859
133 HG21 THR 17 3HG2 THR 17 3.948 -0.630 7.257
134 HG22 THR 17 1HG2 THR 17 3.562 -2.348 7.313
135 HG23 THR 17 2HG2 THR 17 2.916 -1.261 8.540
136 H SER 18 H SER 18 2.397 -3.347 4.595
137 HA SER 18 HA SER 18 5.213 -3.847 4.855
138 HB2 SER 18 1HB SER 18 4.687 -6.030 4.280
139 HB3 SER 18 2HB SER 18 3.091 -5.467 4.759
140 HG SER 18 HG SER 18 2.473 -5.736 2.780
141 H ILE 19 H ILE 19 3.120 -3.265 2.024
142 HA ILE 19 HA ILE 19 5.050 -3.579 0.014
143 HB ILE 19 HB ILE 19 2.492 -2.044 0.324
144 HG12 ILE 19 1HG1 ILE 19 2.036 -3.482 -1.828
145 HG13 ILE 19 2HG1 ILE 19 3.460 -4.368 -1.327
146 HG21 ILE 19 1HG2 ILE 19 2.716 -1.424 -2.141
147 HG22 ILE 19 2HG2 ILE 19 4.444 -1.716 -1.931
148 HG23 ILE 19 3HG2 ILE 19 3.636 -0.467 -0.983
149 HD11 ILE 19 3HD1 ILE 19 2.295 -4.500 0.987
150 HD12 ILE 19 1HD1 ILE 19 1.727 -5.552 -0.305
151 HD13 ILE 19 2HD1 ILE 19 0.837 -4.082 0.087
152 H GLU 20 H GLU 20 4.279 -0.741 2.029
153 HA GLU 20 HA GLU 20 5.836 1.175 0.688
154 HB2 GLU 20 1HB GLU 20 4.297 1.320 2.828
155 HB3 GLU 20 2HB GLU 20 5.806 1.079 3.699
156 HG2 GLU 20 1HG GLU 20 5.353 3.245 1.621
157 HG3 GLU 20 2HG GLU 20 5.253 3.491 3.362
158 H ARG 21 H ARG 21 6.833 -1.138 3.203
159 HA ARG 21 HA ARG 21 9.557 -0.303 3.355
160 HB2 ARG 21 1HB ARG 21 8.053 -2.820 4.017
161 HB3 ARG 21 2HB ARG 21 9.813 -2.886 4.001
162 HG2 ARG 21 1HG ARG 21 9.017 -2.358 6.257
163 HG3 ARG 21 2HG ARG 21 9.882 -0.976 5.586
164 HD2 ARG 21 1HD ARG 21 7.771 0.101 4.991
165 HD3 ARG 21 2HD ARG 21 6.869 -1.309 5.550
166 HE ARG 21 HE ARG 21 8.408 -0.501 7.742
167 HH11 ARG 21 1HH2 ARG 21 6.036 0.835 5.627
168 HH12 ARG 21 2HH2 ARG 21 5.386 1.909 6.821
169 HH21 ARG 21 1HH1 ARG 21 7.575 0.893 9.311
170 HH22 ARG 21 2HH1 ARG 21 6.258 1.942 8.907
171 H LEU 22 H LEU 22 7.974 -2.737 1.274
172 HA LEU 22 HA LEU 22 10.355 -3.635 -0.029
173 HB2 LEU 22 1HB LEU 22 7.627 -3.462 -1.317
174 HB3 LEU 22 2HB LEU 22 8.912 -4.602 -1.657
175 HG LEU 22 HG LEU 22 7.148 -4.480 0.736
176 HD11 LEU 22 1HD1 LEU 22 6.419 -5.806 -1.195
177 HD12 LEU 22 2HD1 LEU 22 6.780 -6.843 0.185
178 HD13 LEU 22 3HD1 LEU 22 7.938 -6.698 -1.139
179 HD21 LEU 22 3HD2 LEU 22 8.607 -6.377 1.637
180 HD22 LEU 22 1HD2 LEU 22 9.306 -4.761 1.743
181 HD23 LEU 22 2HD2 LEU 22 9.818 -5.861 0.464
182 H CYS 23 H CYS 23 7.883 -1.358 -1.242
183 HA CYS 23 HA CYS 23 9.106 -0.457 -3.556
184 HB2 CYS 23 1HB CYS 23 7.706 1.277 -1.499
185 HB3 CYS 23 2HB CYS 23 7.933 1.670 -3.199
186 HG CYS 23 HG CYS 23 6.498 -0.623 -3.653
187 H GLN 24 H GLN 24 9.569 1.101 -0.352
188 HA GLN 24 HA GLN 24 11.518 2.947 -1.037
189 HB2 GLN 24 1HB GLN 24 11.248 1.251 1.457
190 HB3 GLN 24 2HB GLN 24 12.346 2.615 1.323
191 HG2 GLN 24 1HG GLN 24 9.380 2.830 0.787
192 HG3 GLN 24 2HG GLN 24 10.106 3.172 2.358
193 HE21 GLN 24 2HE2 GLN 24 11.849 4.923 2.357
194 HE22 GLN 24 1HE2 GLN 24 11.705 6.192 1.238
195 H HIS 25 H HIS 25 11.885 -0.535 -0.607
196 HA HIS 25 HA HIS 25 14.825 -0.335 -0.997
197 HB2 HIS 25 1HB HIS 25 13.468 -1.919 0.664
198 HB3 HIS 25 2HB HIS 25 13.351 -2.951 -0.749
199 HD1 HIS 25 HD1 HIS 25 16.081 -1.062 1.152
200 HD2 HIS 25 HD2 HIS 25 15.578 -4.557 -1.069
201 HE1 HIS 25 HE1 HIS 25 18.294 -2.293 1.240
202 HE2 HIS 25 HE2 HIS 25 17.999 -4.421 -0.109
203 H TYR 26 H TYR 26 12.265 -2.426 -2.280
204 HA TYR 26 HA TYR 26 13.452 -3.455 -4.519
205 HB2 TYR 26 1HB TYR 26 10.634 -2.551 -3.989
206 HB3 TYR 26 2HB TYR 26 11.051 -3.148 -5.592
207 HD1 TYR 26 HD2 TYR 26 11.579 -4.064 -1.985
208 HD2 TYR 26 HD1 TYR 26 10.840 -5.446 -5.987
209 HE1 TYR 26 HE2 TYR 26 11.427 -6.394 -1.154
210 HE2 TYR 26 HE1 TYR 26 10.687 -7.775 -5.152
211 HH TYR 26 HH TYR 26 11.725 -8.700 -2.081
212 H ILE 27 H ILE 27 11.368 -0.541 -4.957
213 HA ILE 27 HA ILE 27 13.063 0.161 -7.295
214 HB ILE 27 HB ILE 27 10.587 -0.043 -7.537
215 HG12 ILE 27 1HG1 ILE 27 11.520 2.789 -7.981
216 HG13 ILE 27 2HG1 ILE 27 12.070 1.441 -8.966
217 HG21 ILE 27 1HG2 ILE 27 9.148 1.629 -6.628
218 HG22 ILE 27 2HG2 ILE 27 10.501 2.453 -5.891
219 HG23 ILE 27 3HG2 ILE 27 10.026 0.866 -5.308
220 HD11 ILE 27 3HD1 ILE 27 10.254 2.223 -10.206
221 HD12 ILE 27 1HD1 ILE 27 9.319 2.630 -8.768
222 HD13 ILE 27 2HD1 ILE 27 9.502 0.946 -9.260
223 H GLY 28 H GLY 28 11.836 1.583 -4.275
224 HA2 GLY 28 1HA GLY 28 13.612 3.043 -3.133
225 HA3 GLY 28 2HA GLY 28 13.726 3.884 -4.676
226 H TRP 29 H TRP 29 11.042 4.017 -5.406
227 HA TRP 29 HA TRP 29 9.831 5.677 -3.231
228 HB2 TRP 29 1HB TRP 29 9.449 7.367 -4.767
229 HB3 TRP 29 2HB TRP 29 10.848 6.646 -5.554
230 HD1 TRP 29 HD1 TRP 29 7.084 6.781 -5.708
231 HE1 TRP 29 HE1 TRP 29 6.270 6.069 -8.046
232 HE3 TRP 29 HE3 TRP 29 11.500 5.280 -7.736
233 HZ2 TRP 29 HZ2 TRP 29 7.342 5.018 -10.446
234 HZ3 TRP 29 HZ3 TRP 29 11.567 4.415 -10.057
235 HH2 TRP 29 HH2 TRP 29 9.499 4.280 -11.413
236 H CYS 30 H CYS 30 7.278 5.904 -3.947
237 HA CYS 30 HA CYS 30 6.289 3.161 -3.933
238 HB2 CYS 30 1HB CYS 30 4.025 4.458 -4.068
239 HB3 CYS 30 2HB CYS 30 4.997 4.606 -2.607
240 HG CYS 30 HG CYS 30 4.674 6.811 -4.773
241 HA PRO 31 HA PRO 31 6.261 3.441 -8.488
242 HB2 PRO 31 1HB PRO 31 5.796 0.843 -9.076
243 HB3 PRO 31 2HB PRO 31 7.363 1.402 -8.465
244 HG2 PRO 31 1HG PRO 31 5.137 0.078 -6.985
245 HG3 PRO 31 2HG PRO 31 6.882 -0.224 -6.894
246 HD2 PRO 31 1HD PRO 31 5.518 1.318 -5.070
247 HD3 PRO 31 2HD PRO 31 7.237 1.547 -5.437
248 H PHE 32 H PHE 32 3.724 2.045 -6.496
249 HA PHE 32 HA PHE 32 1.726 2.003 -8.603
250 HB2 PHE 32 1HB PHE 32 1.393 1.781 -5.605
251 HB3 PHE 32 2HB PHE 32 0.223 1.300 -6.829
252 HD1 PHE 32 HD1 PHE 32 0.843 -0.553 -8.463
253 HD2 PHE 32 HD2 PHE 32 3.144 0.323 -4.943
254 HE1 PHE 32 HE1 PHE 32 1.919 -2.783 -8.610
255 HE2 PHE 32 HE2 PHE 32 4.218 -1.906 -5.090
256 HZ PHE 32 HZ PHE 32 3.606 -3.459 -6.923
257 H TRP 33 H TRP 33 1.661 3.656 -5.442
258 HA TRP 33 HA TRP 33 0.229 5.936 -6.724
259 HB2 TRP 33 1HB TRP 33 -0.034 6.509 -4.142
260 HB3 TRP 33 2HB TRP 33 -1.062 5.295 -4.894
261 HD1 TRP 33 HD1 TRP 33 1.898 5.677 -2.527
262 HE1 TRP 33 HE1 TRP 33 2.283 3.433 -1.309
263 HE3 TRP 33 HE3 TRP 33 -1.371 2.709 -5.091
264 HZ2 TRP 33 HZ2 TRP 33 1.335 0.748 -1.413
265 HZ3 TRP 33 HZ3 TRP 33 -1.607 0.312 -4.516
266 HH2 TRP 33 HH2 TRP 33 -0.261 -0.674 -2.680
Start of MODEL 17
1 H1 ASN 1 1H ASN 1 -23.843 4.237 1.949
2 H2 ASN 1 2H ASN 1 -25.049 4.723 0.854
3 H3 ASN 1 3H ASN 1 -24.013 3.434 0.464
4 HA ASN 1 HA ASN 1 -26.412 3.456 2.064
5 HB2 ASN 1 1HB ASN 1 -24.877 1.122 0.909
6 HB3 ASN 1 2HB ASN 1 -26.610 1.242 1.217
7 HD21 ASN 1 2HD2 ASN 1 -27.450 3.509 0.016
8 HD22 ASN 1 1HD2 ASN 1 -27.035 3.552 -1.630
9 H GLU 2 H GLU 2 -25.631 0.607 2.862
10 HA GLU 2 HA GLU 2 -24.932 1.165 5.572
11 HB2 GLU 2 1HB GLU 2 -24.383 -1.367 5.587
12 HB3 GLU 2 2HB GLU 2 -26.035 -0.893 5.192
13 HG2 GLU 2 1HG GLU 2 -25.666 -1.201 2.850
14 HG3 GLU 2 2HG GLU 2 -23.923 -1.343 3.073
15 H LEU 3 H LEU 3 -22.836 -1.301 4.655
16 HA LEU 3 HA LEU 3 -20.483 -0.129 5.603
17 HB2 LEU 3 1HB LEU 3 -20.577 -2.008 3.232
18 HB3 LEU 3 2HB LEU 3 -19.244 -1.779 4.359
19 HG LEU 3 HG LEU 3 -21.876 -3.189 4.796
20 HD11 LEU 3 1HD1 LEU 3 -19.898 -4.470 4.090
21 HD12 LEU 3 2HD1 LEU 3 -20.359 -4.902 5.737
22 HD13 LEU 3 3HD1 LEU 3 -18.987 -3.826 5.457
23 HD21 LEU 3 3HD2 LEU 3 -21.235 -3.286 7.252
24 HD22 LEU 3 1HD2 LEU 3 -21.802 -1.710 6.707
25 HD23 LEU 3 2HD2 LEU 3 -20.076 -1.998 6.933
26 H ASP 4 H ASP 4 -18.521 0.449 4.239
27 HA ASP 4 HA ASP 4 -19.242 2.549 2.363
28 HB2 ASP 4 1HB ASP 4 -16.641 1.488 3.410
29 HB3 ASP 4 2HB ASP 4 -16.702 2.714 2.159
30 H VAL 5 H VAL 5 -17.873 2.517 0.241
31 HA VAL 5 HA VAL 5 -18.386 -0.126 -1.015
32 HB VAL 5 HB VAL 5 -18.465 2.715 -1.902
33 HG11 VAL 5 1HG1 VAL 5 -16.911 1.853 -3.559
34 HG12 VAL 5 2HG1 VAL 5 -18.515 1.923 -4.303
35 HG13 VAL 5 3HG1 VAL 5 -17.874 0.380 -3.744
36 HG21 VAL 5 3HG2 VAL 5 -20.585 2.045 -2.778
37 HG22 VAL 5 1HG2 VAL 5 -20.426 1.324 -1.169
38 HG23 VAL 5 2HG2 VAL 5 -20.177 0.335 -2.617
39 HA PRO 6 HA PRO 6 -13.972 0.556 -2.457
40 HB2 PRO 6 1HB PRO 6 -12.603 2.783 -2.031
41 HB3 PRO 6 2HB PRO 6 -13.963 2.809 -3.178
42 HG2 PRO 6 1HG PRO 6 -13.930 3.614 -0.291
43 HG3 PRO 6 2HG PRO 6 -14.490 4.544 -1.703
44 HD2 PRO 6 1HD PRO 6 -16.209 3.085 -0.161
45 HD3 PRO 6 2HD PRO 6 -16.439 3.337 -1.896
46 H GLU 7 H GLU 7 -15.045 0.270 0.392
47 HA GLU 7 HA GLU 7 -13.140 0.783 2.337
48 HB2 GLU 7 1HB GLU 7 -15.483 -0.637 2.277
49 HB3 GLU 7 2HB GLU 7 -14.337 -1.963 2.448
50 HG2 GLU 7 1HG GLU 7 -13.304 -0.620 4.368
51 HG3 GLU 7 2HG GLU 7 -14.734 0.407 4.274
52 H GLN 8 H GLN 8 -12.974 -1.638 -0.222
53 HA GLN 8 HA GLN 8 -10.860 -3.223 0.790
54 HB2 GLN 8 1HB GLN 8 -10.897 -2.315 -2.095
55 HB3 GLN 8 2HB GLN 8 -10.464 -3.896 -1.439
56 HG2 GLN 8 1HG GLN 8 -12.925 -4.027 -0.647
57 HG3 GLN 8 2HG GLN 8 -13.211 -2.685 -1.757
58 HE21 GLN 8 2HE2 GLN 8 -12.573 -6.121 -1.552
59 HE22 GLN 8 1HE2 GLN 8 -12.661 -6.435 -3.219
60 H VAL 9 H VAL 9 -10.843 -0.089 -0.813
61 HA VAL 9 HA VAL 9 -8.134 0.458 -1.099
62 HB VAL 9 HB VAL 9 -10.350 2.273 -0.116
63 HG11 VAL 9 1HG1 VAL 9 -8.361 3.402 0.413
64 HG12 VAL 9 2HG1 VAL 9 -8.819 4.049 -1.166
65 HG13 VAL 9 3HG1 VAL 9 -7.543 2.835 -1.046
66 HG21 VAL 9 3HG2 VAL 9 -10.369 2.975 -2.524
67 HG22 VAL 9 1HG2 VAL 9 -10.881 1.307 -2.253
68 HG23 VAL 9 2HG2 VAL 9 -9.260 1.648 -2.864
69 H ASP 10 H ASP 10 -10.038 1.660 1.632
70 HA ASP 10 HA ASP 10 -7.986 2.304 3.385
71 HB2 ASP 10 1HB ASP 10 -10.294 2.781 3.910
72 HB3 ASP 10 2HB ASP 10 -10.691 1.060 3.969
73 H LYS 11 H LYS 11 -9.300 -0.902 2.711
74 HA LYS 11 HA LYS 11 -7.675 -2.211 4.745
75 HB2 LYS 11 1HB LYS 11 -9.100 -3.349 2.324
76 HB3 LYS 11 2HB LYS 11 -8.365 -4.305 3.606
77 HG2 LYS 11 1HG LYS 11 -9.886 -3.310 5.247
78 HG3 LYS 11 2HG LYS 11 -10.601 -2.298 3.995
79 HD2 LYS 11 1HD LYS 11 -11.131 -4.480 2.751
80 HD3 LYS 11 2HD LYS 11 -10.735 -5.307 4.258
81 HE2 LYS 11 1HE LYS 11 -12.406 -3.726 5.388
82 HE3 LYS 11 2HE LYS 11 -12.937 -3.301 3.761
83 HZ1 LYS 11 3HZ LYS 11 -14.063 -5.245 5.044
84 HZ2 LYS 11 1HZ LYS 11 -12.725 -6.134 4.503
85 HZ3 LYS 11 2HZ LYS 11 -13.757 -5.387 3.379
86 H LEU 12 H LEU 12 -7.492 -1.665 1.253
87 HA LEU 12 HA LEU 12 -5.149 -3.128 0.677
88 HB2 LEU 12 1HB LEU 12 -6.181 -0.565 -0.419
89 HB3 LEU 12 2HB LEU 12 -4.822 -1.397 -1.084
90 HG LEU 12 HG LEU 12 -7.630 -1.832 -1.582
91 HD11 LEU 12 1HD1 LEU 12 -6.723 -3.228 -3.405
92 HD12 LEU 12 2HD1 LEU 12 -5.133 -3.122 -2.642
93 HD13 LEU 12 3HD1 LEU 12 -5.905 -1.669 -3.280
94 HD21 LEU 12 3HD2 LEU 12 -6.168 -4.385 -0.884
95 HD22 LEU 12 1HD2 LEU 12 -7.823 -4.224 -1.448
96 HD23 LEU 12 2HD2 LEU 12 -7.392 -3.670 0.160
97 H ILE 13 H ILE 13 -5.491 0.298 1.490
98 HA ILE 13 HA ILE 13 -2.918 1.150 1.770
99 HB ILE 13 HB ILE 13 -5.475 1.609 3.239
100 HG12 ILE 13 1HG1 ILE 13 -5.032 3.924 2.493
101 HG13 ILE 13 2HG1 ILE 13 -3.515 3.400 1.782
102 HG21 ILE 13 1HG2 ILE 13 -4.096 1.738 5.149
103 HG22 ILE 13 2HG2 ILE 13 -4.253 3.411 4.607
104 HG23 ILE 13 3HG2 ILE 13 -2.778 2.500 4.254
105 HD11 ILE 13 3HD1 ILE 13 -4.809 1.815 0.349
106 HD12 ILE 13 1HD1 ILE 13 -5.231 3.500 0.060
107 HD13 ILE 13 2HD1 ILE 13 -6.296 2.483 1.023
108 H GLN 14 H GLN 14 -4.714 -0.673 4.281
109 HA GLN 14 HA GLN 14 -2.659 -0.774 6.190
110 HB2 GLN 14 1HB GLN 14 -4.798 -2.829 5.591
111 HB3 GLN 14 2HB GLN 14 -3.810 -2.793 7.040
112 HG2 GLN 14 1HG GLN 14 -4.646 -0.389 7.373
113 HG3 GLN 14 2HG GLN 14 -5.856 -0.780 6.156
114 HE21 GLN 14 2HE2 GLN 14 -7.755 -1.039 7.371
115 HE22 GLN 14 1HE2 GLN 14 -7.903 -2.093 8.694
116 H GLN 15 H GLN 15 -3.367 -3.106 3.571
117 HA GLN 15 HA GLN 15 -0.928 -4.596 4.243
118 HB2 GLN 15 1HB GLN 15 -1.498 -5.869 2.111
119 HB3 GLN 15 2HB GLN 15 -2.692 -5.945 3.400
120 HG2 GLN 15 1HG GLN 15 -4.044 -4.253 2.337
121 HG3 GLN 15 2HG GLN 15 -2.813 -3.996 1.097
122 HE21 GLN 15 2HE2 GLN 15 -4.050 -4.728 -0.717
123 HE22 GLN 15 1HE2 GLN 15 -4.582 -6.332 -0.878
124 H ALA 16 H ALA 16 -1.521 -1.735 2.733
125 HA ALA 16 HA ALA 16 0.512 -2.026 0.595
126 HB1 ALA 16 3HB ALA 16 -1.731 -0.603 0.610
127 HB2 ALA 16 1HB ALA 16 -0.296 -0.000 -0.217
128 HB3 ALA 16 2HB ALA 16 -0.709 0.605 1.387
129 H THR 17 H THR 17 0.120 -0.585 3.816
130 HA THR 17 HA THR 17 2.394 1.057 3.898
131 HB THR 17 HB THR 17 0.788 -0.494 5.890
132 HG1 THR 17 HG1 THR 17 1.158 1.866 6.732
133 HG21 THR 17 3HG2 THR 17 2.352 0.541 7.679
134 HG22 THR 17 1HG2 THR 17 3.553 0.580 6.389
135 HG23 THR 17 2HG2 THR 17 2.854 -0.956 6.895
136 H SER 18 H SER 18 2.078 -2.455 4.134
137 HA SER 18 HA SER 18 4.814 -2.960 4.884
138 HB2 SER 18 1HB SER 18 4.184 -5.266 3.756
139 HB3 SER 18 2HB SER 18 3.428 -4.797 5.274
140 HG SER 18 HG SER 18 1.990 -3.702 3.393
141 H ILE 19 H ILE 19 3.081 -3.025 1.753
142 HA ILE 19 HA ILE 19 5.194 -3.660 0.060
143 HB ILE 19 HB ILE 19 2.673 -2.057 -0.136
144 HG12 ILE 19 1HG1 ILE 19 2.420 -3.729 -2.136
145 HG13 ILE 19 2HG1 ILE 19 3.780 -4.552 -1.399
146 HG21 ILE 19 1HG2 ILE 19 3.164 -1.708 -2.606
147 HG22 ILE 19 2HG2 ILE 19 4.859 -1.987 -2.192
148 HG23 ILE 19 3HG2 ILE 19 3.980 -0.639 -1.468
149 HD11 ILE 19 3HD1 ILE 19 2.381 -4.405 0.795
150 HD12 ILE 19 1HD1 ILE 19 1.956 -5.618 -0.411
151 HD13 ILE 19 2HD1 ILE 19 1.026 -4.125 -0.298
152 H GLU 20 H GLU 20 4.390 -0.571 1.598
153 HA GLU 20 HA GLU 20 6.198 1.106 0.212
154 HB2 GLU 20 1HB GLU 20 4.461 1.727 2.024
155 HB3 GLU 20 2HB GLU 20 5.712 1.307 3.192
156 HG2 GLU 20 1HG GLU 20 7.222 2.963 2.249
157 HG3 GLU 20 2HG GLU 20 6.081 3.318 0.952
158 H ARG 21 H ARG 21 6.702 -0.748 3.212
159 HA ARG 21 HA ARG 21 9.453 -0.166 3.542
160 HB2 ARG 21 1HB ARG 21 8.180 -2.814 4.234
161 HB3 ARG 21 2HB ARG 21 9.493 -1.980 5.063
162 HG2 ARG 21 1HG ARG 21 7.616 -0.052 5.279
163 HG3 ARG 21 2HG ARG 21 6.546 -1.445 5.165
164 HD2 ARG 21 1HD ARG 21 8.822 -1.179 7.139
165 HD3 ARG 21 2HD ARG 21 7.130 -0.852 7.510
166 HE ARG 21 HE ARG 21 7.324 -3.482 6.422
167 HH11 ARG 21 1HH2 ARG 21 8.222 -1.588 9.161
168 HH12 ARG 21 2HH2 ARG 21 8.161 -2.918 10.270
169 HH21 ARG 21 1HH1 ARG 21 7.236 -5.233 7.859
170 HH22 ARG 21 2HH1 ARG 21 7.603 -4.980 9.533
171 H LEU 22 H LEU 22 7.799 -2.471 1.461
172 HA LEU 22 HA LEU 22 10.285 -3.828 0.676
173 HB2 LEU 22 1HB LEU 22 7.583 -3.952 -0.680
174 HB3 LEU 22 2HB LEU 22 8.897 -5.101 -0.816
175 HG LEU 22 HG LEU 22 7.115 -4.615 1.522
176 HD11 LEU 22 1HD1 LEU 22 6.413 -6.236 -0.190
177 HD12 LEU 22 2HD1 LEU 22 6.766 -7.039 1.340
178 HD13 LEU 22 3HD1 LEU 22 7.938 -7.095 0.022
179 HD21 LEU 22 3HD2 LEU 22 8.605 -6.347 2.693
180 HD22 LEU 22 1HD2 LEU 22 9.261 -4.715 2.572
181 HD23 LEU 22 2HD2 LEU 22 9.812 -5.973 1.463
182 H CYS 23 H CYS 23 7.823 -2.044 -1.194
183 HA CYS 23 HA CYS 23 9.257 -1.627 -3.524
184 HB2 CYS 23 1HB CYS 23 7.678 -0.014 -4.051
185 HB3 CYS 23 2HB CYS 23 6.852 -0.852 -2.750
186 HG CYS 23 HG CYS 23 6.841 1.272 -1.494
187 H GLN 24 H GLN 24 9.411 0.460 -0.605
188 HA GLN 24 HA GLN 24 11.209 2.387 -1.539
189 HB2 GLN 24 1HB GLN 24 10.818 1.078 1.152
190 HB3 GLN 24 2HB GLN 24 12.065 2.296 0.921
191 HG2 GLN 24 1HG GLN 24 10.428 3.934 0.208
192 HG3 GLN 24 2HG GLN 24 9.150 2.716 0.224
193 HE21 GLN 24 2HE2 GLN 24 9.695 1.404 2.668
194 HE22 GLN 24 1HE2 GLN 24 9.485 2.499 3.948
195 H HIS 25 H HIS 25 11.720 -0.978 -0.872
196 HA HIS 25 HA HIS 25 14.674 -0.710 -1.013
197 HB2 HIS 25 1HB HIS 25 13.282 -2.295 0.573
198 HB3 HIS 25 2HB HIS 25 13.183 -3.332 -0.839
199 HD1 HIS 25 HD1 HIS 25 15.827 -1.598 1.293
200 HD2 HIS 25 HD2 HIS 25 15.455 -4.869 -1.269
201 HE1 HIS 25 HE1 HIS 25 18.030 -2.846 1.397
202 HE2 HIS 25 HE2 HIS 25 17.814 -4.838 -0.158
203 H TYR 26 H TYR 26 12.235 -2.827 -2.490
204 HA TYR 26 HA TYR 26 13.715 -3.779 -4.637
205 HB2 TYR 26 1HB TYR 26 10.774 -3.167 -4.368
206 HB3 TYR 26 2HB TYR 26 11.431 -3.882 -5.834
207 HD1 TYR 26 HD2 TYR 26 12.550 -6.105 -5.764
208 HD2 TYR 26 HD1 TYR 26 10.602 -4.437 -2.320
209 HE1 TYR 26 HE2 TYR 26 12.559 -8.334 -4.677
210 HE2 TYR 26 HE1 TYR 26 10.611 -6.663 -1.231
211 HH TYR 26 HH TYR 26 10.702 -9.236 -2.317
212 H ILE 27 H ILE 27 11.460 -0.945 -4.974
213 HA ILE 27 HA ILE 27 12.888 -0.261 -7.449
214 HB ILE 27 HB ILE 27 10.420 -0.057 -7.348
215 HG12 ILE 27 1HG1 ILE 27 11.753 2.618 -7.719
216 HG13 ILE 27 2HG1 ILE 27 11.920 1.300 -8.864
217 HG21 ILE 27 1HG2 ILE 27 11.034 2.061 -5.307
218 HG22 ILE 27 2HG2 ILE 27 9.971 0.675 -5.146
219 HG23 ILE 27 3HG2 ILE 27 9.531 2.008 -6.206
220 HD11 ILE 27 3HD1 ILE 27 9.273 1.292 -8.778
221 HD12 ILE 27 1HD1 ILE 27 10.137 2.436 -9.798
222 HD13 ILE 27 2HD1 ILE 27 9.511 2.954 -8.235
223 H GLY 28 H GLY 28 12.598 1.020 -4.170
224 HA2 GLY 28 1HA GLY 28 14.672 2.151 -3.312
225 HA3 GLY 28 2HA GLY 28 14.745 3.010 -4.847
226 H TRP 29 H TRP 29 11.916 3.596 -5.066
227 HA TRP 29 HA TRP 29 11.487 5.401 -2.718
228 HB2 TRP 29 1HB TRP 29 11.287 7.245 -4.107
229 HB3 TRP 29 2HB TRP 29 12.373 6.302 -5.120
230 HD1 TRP 29 HD1 TRP 29 8.749 7.260 -4.722
231 HE1 TRP 29 HE1 TRP 29 7.492 6.907 -6.941
232 HE3 TRP 29 HE3 TRP 29 12.407 4.992 -7.429
233 HZ2 TRP 29 HZ2 TRP 29 7.969 5.814 -9.509
234 HZ3 TRP 29 HZ3 TRP 29 11.968 4.292 -9.766
235 HH2 TRP 29 HH2 TRP 29 9.755 4.697 -10.807
236 H CYS 30 H CYS 30 8.983 6.258 -3.083
237 HA CYS 30 HA CYS 30 7.395 3.811 -2.997
238 HB2 CYS 30 1HB CYS 30 5.503 5.651 -2.796
239 HB3 CYS 30 2HB CYS 30 6.611 5.372 -1.455
240 HG CYS 30 HG CYS 30 7.936 7.489 -2.119
241 HA PRO 31 HA PRO 31 6.861 4.363 -7.502
242 HB2 PRO 31 1HB PRO 31 5.688 1.994 -8.090
243 HB3 PRO 31 2HB PRO 31 7.411 2.133 -7.716
244 HG2 PRO 31 1HG PRO 31 5.175 1.286 -5.939
245 HG3 PRO 31 2HG PRO 31 6.786 0.572 -6.134
246 HD2 PRO 31 1HD PRO 31 6.144 2.254 -4.073
247 HD3 PRO 31 2HD PRO 31 7.785 2.136 -4.735
248 H PHE 32 H PHE 32 4.242 3.248 -5.383
249 HA PHE 32 HA PHE 32 2.150 4.058 -7.234
250 HB2 PHE 32 1HB PHE 32 2.234 2.959 -4.432
251 HB3 PHE 32 2HB PHE 32 0.728 3.595 -5.087
252 HD1 PHE 32 HD1 PHE 32 -0.188 2.626 -7.244
253 HD2 PHE 32 HD2 PHE 32 3.053 0.821 -5.081
254 HE1 PHE 32 HE1 PHE 32 -0.559 0.498 -8.463
255 HE2 PHE 32 HE2 PHE 32 2.683 -1.307 -6.299
256 HZ PHE 32 HZ PHE 32 0.877 -1.468 -7.991
257 H TRP 33 H TRP 33 2.724 5.064 -3.846
258 HA TRP 33 HA TRP 33 1.587 7.721 -4.487
259 HB2 TRP 33 1HB TRP 33 2.020 7.991 -1.922
260 HB3 TRP 33 2HB TRP 33 0.725 6.921 -2.454
261 HD1 TRP 33 HD1 TRP 33 4.142 6.920 -0.828
262 HE1 TRP 33 HE1 TRP 33 4.676 4.540 0.016
263 HE3 TRP 33 HE3 TRP 33 0.263 4.353 -2.922
264 HZ2 TRP 33 HZ2 TRP 33 3.606 1.907 -0.178
265 HZ3 TRP 33 HZ3 TRP 33 0.046 1.908 -2.586
266 HH2 TRP 33 HH2 TRP 33 1.710 0.680 -1.213
Start of MODEL 18
1 H1 ASN 1 1H ASN 1 -25.066 2.015 -0.894
2 H2 ASN 1 2H ASN 1 -23.639 2.251 -0.003
3 H3 ASN 1 3H ASN 1 -24.948 3.317 0.186
4 HA ASN 1 HA ASN 1 -26.295 1.459 1.060
5 HB2 ASN 1 1HB ASN 1 -23.649 0.007 1.252
6 HB3 ASN 1 2HB ASN 1 -25.265 -0.629 1.561
7 HD21 ASN 1 2HD2 ASN 1 -23.057 -1.331 -0.529
8 HD22 ASN 1 1HD2 ASN 1 -23.907 -1.359 -1.997
9 H GLU 2 H GLU 2 -26.007 0.823 3.448
10 HA GLU 2 HA GLU 2 -25.283 3.040 5.000
11 HB2 GLU 2 1HB GLU 2 -25.017 0.213 6.031
12 HB3 GLU 2 2HB GLU 2 -25.543 1.652 6.906
13 HG2 GLU 2 1HG GLU 2 -27.509 1.749 5.270
14 HG3 GLU 2 2HG GLU 2 -27.044 0.120 4.776
15 H LEU 3 H LEU 3 -23.387 0.025 4.780
16 HA LEU 3 HA LEU 3 -21.048 0.878 6.052
17 HB2 LEU 3 1HB LEU 3 -21.074 -0.767 3.512
18 HB3 LEU 3 2HB LEU 3 -19.844 -0.771 4.773
19 HG LEU 3 HG LEU 3 -22.640 -1.915 4.861
20 HD11 LEU 3 1HD1 LEU 3 -21.391 -3.883 5.696
21 HD12 LEU 3 2HD1 LEU 3 -19.893 -2.954 5.607
22 HD13 LEU 3 3HD1 LEU 3 -20.777 -3.344 4.132
23 HD21 LEU 3 3HD2 LEU 3 -22.153 -2.345 7.331
24 HD22 LEU 3 1HD2 LEU 3 -22.552 -0.676 6.924
25 HD23 LEU 3 2HD2 LEU 3 -20.873 -1.141 7.204
26 H ASP 4 H ASP 4 -18.920 1.381 4.943
27 HA ASP 4 HA ASP 4 -19.200 3.745 3.313
28 HB2 ASP 4 1HB ASP 4 -16.931 2.116 4.360
29 HB3 ASP 4 2HB ASP 4 -16.595 3.231 3.051
30 H VAL 5 H VAL 5 -17.703 3.680 1.210
31 HA VAL 5 HA VAL 5 -18.721 1.392 -0.398
32 HB VAL 5 HB VAL 5 -18.254 4.288 -0.939
33 HG11 VAL 5 1HG1 VAL 5 -18.144 2.097 -3.036
34 HG12 VAL 5 2HG1 VAL 5 -16.885 3.292 -2.701
35 HG13 VAL 5 3HG1 VAL 5 -18.425 3.797 -3.406
36 HG21 VAL 5 3HG2 VAL 5 -20.447 3.237 -0.327
37 HG22 VAL 5 1HG2 VAL 5 -20.387 2.370 -1.867
38 HG23 VAL 5 2HG2 VAL 5 -20.457 4.134 -1.855
39 HA PRO 6 HA PRO 6 -14.218 1.343 -1.640
40 HB2 PRO 6 1HB PRO 6 -12.491 3.263 -1.102
41 HB3 PRO 6 2HB PRO 6 -13.816 3.578 -2.250
42 HG2 PRO 6 1HG PRO 6 -13.662 4.263 0.658
43 HG3 PRO 6 2HG PRO 6 -14.047 5.326 -0.714
44 HD2 PRO 6 1HD PRO 6 -15.997 4.098 0.795
45 HD3 PRO 6 2HD PRO 6 -16.190 4.514 -0.914
46 H GLU 7 H GLU 7 -14.928 0.010 0.444
47 HA GLU 7 HA GLU 7 -13.301 0.560 2.801
48 HB2 GLU 7 1HB GLU 7 -15.437 -0.250 3.371
49 HB3 GLU 7 2HB GLU 7 -15.449 -1.421 2.054
50 HG2 GLU 7 1HG GLU 7 -13.924 -2.846 3.166
51 HG3 GLU 7 2HG GLU 7 -13.513 -1.607 4.351
52 H GLN 8 H GLN 8 -13.454 -1.898 0.196
53 HA GLN 8 HA GLN 8 -11.349 -3.566 1.095
54 HB2 GLN 8 1HB GLN 8 -11.659 -2.714 -1.787
55 HB3 GLN 8 2HB GLN 8 -11.084 -4.260 -1.164
56 HG2 GLN 8 1HG GLN 8 -13.896 -3.177 -1.064
57 HG3 GLN 8 2HG GLN 8 -13.322 -4.601 -1.894
58 HE21 GLN 8 2HE2 GLN 8 -13.702 -6.463 -0.847
59 HE22 GLN 8 1HE2 GLN 8 -13.897 -6.657 0.826
60 H VAL 9 H VAL 9 -11.327 -0.548 -0.698
61 HA VAL 9 HA VAL 9 -8.671 -0.053 -1.260
62 HB VAL 9 HB VAL 9 -10.635 1.837 0.051
63 HG11 VAL 9 1HG1 VAL 9 -7.988 2.269 -1.298
64 HG12 VAL 9 2HG1 VAL 9 -8.582 2.914 0.238
65 HG13 VAL 9 3HG1 VAL 9 -9.215 3.538 -1.289
66 HG21 VAL 9 3HG2 VAL 9 -10.787 2.568 -2.488
67 HG22 VAL 9 1HG2 VAL 9 -11.737 1.204 -1.893
68 HG23 VAL 9 2HG2 VAL 9 -10.236 0.919 -2.781
69 H ASP 10 H ASP 10 -10.179 1.194 1.679
70 HA ASP 10 HA ASP 10 -7.934 1.791 3.180
71 HB2 ASP 10 1HB ASP 10 -10.156 2.315 3.955
72 HB3 ASP 10 2HB ASP 10 -10.589 0.604 4.045
73 H LYS 11 H LYS 11 -9.344 -1.399 2.629
74 HA LYS 11 HA LYS 11 -7.492 -2.699 4.484
75 HB2 LYS 11 1HB LYS 11 -9.210 -3.906 2.302
76 HB3 LYS 11 2HB LYS 11 -8.344 -4.805 3.539
77 HG2 LYS 11 1HG LYS 11 -9.680 -3.715 5.282
78 HG3 LYS 11 2HG LYS 11 -10.536 -2.785 4.048
79 HD2 LYS 11 1HD LYS 11 -11.258 -4.938 2.993
80 HD3 LYS 11 2HD LYS 11 -10.513 -5.804 4.337
81 HE2 LYS 11 1HE LYS 11 -12.537 -3.645 4.866
82 HE3 LYS 11 2HE LYS 11 -13.060 -5.274 4.451
83 HZ1 LYS 11 3HZ LYS 11 -12.913 -5.323 6.747
84 HZ2 LYS 11 1HZ LYS 11 -11.510 -4.370 6.792
85 HZ3 LYS 11 2HZ LYS 11 -11.422 -5.985 6.270
86 H LEU 12 H LEU 12 -7.781 -2.197 0.997
87 HA LEU 12 HA LEU 12 -5.574 -3.711 0.119
88 HB2 LEU 12 1HB LEU 12 -6.676 -1.122 -0.832
89 HB3 LEU 12 2HB LEU 12 -5.437 -1.985 -1.671
90 HG LEU 12 HG LEU 12 -8.289 -2.348 -1.809
91 HD11 LEU 12 1HD1 LEU 12 -5.980 -3.734 -3.140
92 HD12 LEU 12 2HD1 LEU 12 -6.782 -2.265 -3.705
93 HD13 LEU 12 3HD1 LEU 12 -7.654 -3.801 -3.702
94 HD21 LEU 12 3HD2 LEU 12 -8.550 -4.728 -1.607
95 HD22 LEU 12 1HD2 LEU 12 -7.900 -4.169 -0.074
96 HD23 LEU 12 2HD2 LEU 12 -6.842 -4.947 -1.250
97 H ILE 13 H ILE 13 -5.719 -0.308 1.024
98 HA ILE 13 HA ILE 13 -3.098 0.475 0.942
99 HB ILE 13 HB ILE 13 -5.446 1.016 2.706
100 HG12 ILE 13 1HG1 ILE 13 -5.023 3.317 1.894
101 HG13 ILE 13 2HG1 ILE 13 -3.633 2.732 0.993
102 HG21 ILE 13 1HG2 ILE 13 -2.631 1.869 3.379
103 HG22 ILE 13 2HG2 ILE 13 -3.830 1.107 4.430
104 HG23 ILE 13 3HG2 ILE 13 -4.047 2.783 3.914
105 HD11 ILE 13 3HD1 ILE 13 -5.156 1.189 -0.240
106 HD12 ILE 13 1HD1 ILE 13 -5.569 2.884 -0.480
107 HD13 ILE 13 2HD1 ILE 13 -6.516 1.899 0.628
108 H GLN 14 H GLN 14 -4.632 -1.359 3.613
109 HA GLN 14 HA GLN 14 -2.396 -1.484 5.306
110 HB2 GLN 14 1HB GLN 14 -4.518 -3.600 4.913
111 HB3 GLN 14 2HB GLN 14 -3.449 -3.444 6.294
112 HG2 GLN 14 1HG GLN 14 -4.437 -1.409 6.991
113 HG3 GLN 14 2HG GLN 14 -5.255 -1.200 5.448
114 HE21 GLN 14 2HE2 GLN 14 -7.081 -1.023 7.323
115 HE22 GLN 14 1HE2 GLN 14 -7.915 -2.472 7.613
116 H GLN 15 H GLN 15 -3.380 -3.817 2.781
117 HA GLN 15 HA GLN 15 -0.974 -5.393 3.229
118 HB2 GLN 15 1HB GLN 15 -1.568 -6.428 0.960
119 HB3 GLN 15 2HB GLN 15 -2.747 -6.622 2.252
120 HG2 GLN 15 1HG GLN 15 -4.026 -4.729 1.389
121 HG3 GLN 15 2HG GLN 15 -2.848 -4.507 0.094
122 HE21 GLN 15 2HE2 GLN 15 -4.290 -5.055 -1.652
123 HE22 GLN 15 1HE2 GLN 15 -4.927 -6.616 -1.848
124 H ALA 16 H ALA 16 -1.595 -2.456 1.709
125 HA ALA 16 HA ALA 16 0.681 -2.650 -0.187
126 HB1 ALA 16 3HB ALA 16 -0.917 -0.163 0.463
127 HB2 ALA 16 1HB ALA 16 -1.557 -1.405 -0.615
128 HB3 ALA 16 2HB ALA 16 -0.063 -0.563 -1.029
129 H THR 17 H THR 17 -0.124 -1.415 2.996
130 HA THR 17 HA THR 17 1.920 0.493 3.343
131 HB THR 17 HB THR 17 0.326 -1.312 5.123
132 HG1 THR 17 HG1 THR 17 -0.577 0.614 4.665
133 HG21 THR 17 3HG2 THR 17 2.847 0.118 5.935
134 HG22 THR 17 1HG2 THR 17 2.366 -1.543 6.276
135 HG23 THR 17 2HG2 THR 17 1.553 -0.206 7.090
136 H SER 18 H SER 18 1.957 -3.052 3.727
137 HA SER 18 HA SER 18 4.652 -3.275 4.625
138 HB2 SER 18 1HB SER 18 4.399 -5.605 3.443
139 HB3 SER 18 2HB SER 18 3.396 -5.245 4.841
140 HG SER 18 HG SER 18 2.693 -5.702 2.263
141 H ILE 19 H ILE 19 3.239 -3.414 1.345
142 HA ILE 19 HA ILE 19 5.586 -3.798 -0.121
143 HB ILE 19 HB ILE 19 2.927 -2.497 -0.605
144 HG12 ILE 19 1HG1 ILE 19 3.086 -4.215 -2.585
145 HG13 ILE 19 2HG1 ILE 19 4.420 -4.884 -1.667
146 HG21 ILE 19 1HG2 ILE 19 5.312 -2.218 -2.407
147 HG22 ILE 19 2HG2 ILE 19 4.210 -0.967 -1.828
148 HG23 ILE 19 3HG2 ILE 19 3.658 -2.140 -3.021
149 HD11 ILE 19 3HD1 ILE 19 2.601 -6.111 -0.874
150 HD12 ILE 19 1HD1 ILE 19 1.525 -4.716 -0.920
151 HD13 ILE 19 2HD1 ILE 19 2.755 -4.842 0.337
152 H GLU 20 H GLU 20 4.314 -0.920 1.452
153 HA GLU 20 HA GLU 20 5.936 1.039 0.200
154 HB2 GLU 20 1HB GLU 20 3.996 1.243 1.970
155 HB3 GLU 20 2HB GLU 20 5.298 1.155 3.148
156 HG2 GLU 20 1HG GLU 20 5.218 3.144 0.859
157 HG3 GLU 20 2HG GLU 20 4.689 3.496 2.501
158 H ARG 21 H ARG 21 6.557 -0.886 3.151
159 HA ARG 21 HA ARG 21 9.184 0.141 3.613
160 HB2 ARG 21 1HB ARG 21 7.831 -2.469 4.355
161 HB3 ARG 21 2HB ARG 21 9.480 -2.102 4.836
162 HG2 ARG 21 1HG ARG 21 8.281 -1.352 6.697
163 HG3 ARG 21 2HG ARG 21 8.432 0.135 5.768
164 HD2 ARG 21 1HD ARG 21 6.186 -0.217 4.822
165 HD3 ARG 21 2HD ARG 21 6.041 -1.731 5.710
166 HE ARG 21 HE ARG 21 5.659 0.925 6.811
167 HH11 ARG 21 1HH2 ARG 21 6.745 -2.292 7.422
168 HH12 ARG 21 2HH2 ARG 21 6.413 -2.222 9.121
169 HH21 ARG 21 1HH1 ARG 21 5.222 1.034 9.023
170 HH22 ARG 21 2HH1 ARG 21 5.552 -0.338 10.027
171 H LEU 22 H LEU 22 7.997 -2.611 1.704
172 HA LEU 22 HA LEU 22 10.621 -3.566 0.960
173 HB2 LEU 22 1HB LEU 22 8.046 -3.915 -0.590
174 HB3 LEU 22 2HB LEU 22 9.467 -4.938 -0.635
175 HG LEU 22 HG LEU 22 7.509 -4.625 1.588
176 HD11 LEU 22 1HD1 LEU 22 8.576 -6.990 0.059
177 HD12 LEU 22 2HD1 LEU 22 6.980 -6.267 -0.136
178 HD13 LEU 22 3HD1 LEU 22 7.398 -7.087 1.368
179 HD21 LEU 22 3HD2 LEU 22 10.301 -5.766 1.668
180 HD22 LEU 22 1HD2 LEU 22 9.060 -6.276 2.813
181 HD23 LEU 22 2HD2 LEU 22 9.579 -4.593 2.771
182 H CYS 23 H CYS 23 8.162 -1.863 -1.008
183 HA CYS 23 HA CYS 23 9.715 -1.319 -3.248
184 HB2 CYS 23 1HB CYS 23 8.122 0.281 -3.816
185 HB3 CYS 23 2HB CYS 23 7.234 -0.696 -2.659
186 HG CYS 23 HG CYS 23 6.881 1.487 -1.517
187 H GLN 24 H GLN 24 9.586 0.679 -0.263
188 HA GLN 24 HA GLN 24 11.377 2.690 -1.069
189 HB2 GLN 24 1HB GLN 24 10.786 1.387 1.590
190 HB3 GLN 24 2HB GLN 24 12.030 2.622 1.463
191 HG2 GLN 24 1HG GLN 24 10.347 4.155 0.426
192 HG3 GLN 24 2HG GLN 24 9.112 2.930 0.717
193 HE21 GLN 24 2HE2 GLN 24 10.313 5.721 2.035
194 HE22 GLN 24 1HE2 GLN 24 9.969 5.437 3.674
195 H HIS 25 H HIS 25 11.909 -0.657 -0.424
196 HA HIS 25 HA HIS 25 14.858 -0.325 -0.267
197 HB2 HIS 25 1HB HIS 25 13.285 -1.984 1.110
198 HB3 HIS 25 2HB HIS 25 13.474 -3.003 -0.305
199 HD1 HIS 25 HD1 HIS 25 16.514 -1.709 -0.699
200 HD2 HIS 25 HD2 HIS 25 15.001 -3.840 2.552
201 HE1 HIS 25 HE1 HIS 25 18.515 -2.682 0.516
202 HE2 HIS 25 HE2 HIS 25 17.604 -3.980 2.495
203 H TYR 26 H TYR 26 12.603 -2.432 -2.031
204 HA TYR 26 HA TYR 26 14.311 -3.310 -4.048
205 HB2 TYR 26 1HB TYR 26 11.342 -2.798 -4.007
206 HB3 TYR 26 2HB TYR 26 12.128 -3.416 -5.455
207 HD1 TYR 26 HD1 TYR 26 11.270 -4.130 -1.939
208 HD2 TYR 26 HD2 TYR 26 13.096 -5.651 -5.516
209 HE1 TYR 26 HE1 TYR 26 11.261 -6.413 -0.971
210 HE2 TYR 26 HE2 TYR 26 13.088 -7.935 -4.550
211 HH TYR 26 HH TYR 26 13.016 -9.001 -2.356
212 H ILE 27 H ILE 27 11.906 -0.685 -4.727
213 HA ILE 27 HA ILE 27 13.597 0.165 -6.949
214 HB ILE 27 HB ILE 27 11.130 0.221 -7.138
215 HG12 ILE 27 1HG1 ILE 27 12.416 2.943 -7.314
216 HG13 ILE 27 2HG1 ILE 27 12.619 1.669 -8.503
217 HG21 ILE 27 1HG2 ILE 27 11.343 2.423 -5.098
218 HG22 ILE 27 2HG2 ILE 27 10.566 0.865 -4.873
219 HG23 ILE 27 3HG2 ILE 27 9.904 2.025 -6.017
220 HD11 ILE 27 3HD1 ILE 27 10.041 3.056 -7.751
221 HD12 ILE 27 1HD1 ILE 27 10.122 1.624 -8.780
222 HD13 ILE 27 2HD1 ILE 27 10.877 3.130 -9.302
223 H GLY 28 H GLY 28 12.830 1.355 -3.715
224 HA2 GLY 28 1HA GLY 28 14.726 2.584 -2.596
225 HA3 GLY 28 2HA GLY 28 14.907 3.496 -4.089
226 H TRP 29 H TRP 29 12.155 3.917 -4.638
227 HA TRP 29 HA TRP 29 11.305 5.666 -2.347
228 HB2 TRP 29 1HB TRP 29 10.555 7.305 -4.021
229 HB3 TRP 29 2HB TRP 29 12.276 6.969 -4.216
230 HD1 TRP 29 HD1 TRP 29 12.749 4.838 -6.036
231 HE1 TRP 29 HE1 TRP 29 11.685 4.530 -8.362
232 HE3 TRP 29 HE3 TRP 29 8.676 7.879 -5.561
233 HZ2 TRP 29 HZ2 TRP 29 9.439 5.460 -9.834
234 HZ3 TRP 29 HZ3 TRP 29 7.093 8.156 -7.452
235 HH2 TRP 29 HH2 TRP 29 7.469 6.947 -9.585
236 H CYS 30 H CYS 30 8.884 6.487 -3.599
237 HA CYS 30 HA CYS 30 7.303 4.002 -3.278
238 HB2 CYS 30 1HB CYS 30 5.395 5.800 -3.460
239 HB3 CYS 30 2HB CYS 30 6.368 5.711 -1.993
240 HG CYS 30 HG CYS 30 6.153 8.168 -3.489
241 HA PRO 31 HA PRO 31 7.219 4.215 -7.846
242 HB2 PRO 31 1HB PRO 31 6.255 1.667 -8.290
243 HB3 PRO 31 2HB PRO 31 7.960 2.064 -8.057
244 HG2 PRO 31 1HG PRO 31 6.072 0.781 -6.193
245 HG3 PRO 31 2HG PRO 31 7.838 0.681 -6.263
246 HD2 PRO 31 1HD PRO 31 6.328 2.229 -4.431
247 HD3 PRO 31 2HD PRO 31 8.069 2.349 -4.710
248 H PHE 32 H PHE 32 4.541 2.634 -6.090
249 HA PHE 32 HA PHE 32 2.576 3.344 -8.083
250 HB2 PHE 32 1HB PHE 32 2.510 2.152 -5.322
251 HB3 PHE 32 2HB PHE 32 1.009 2.735 -6.034
252 HD1 PHE 32 HD1 PHE 32 4.023 0.880 -7.309
253 HD2 PHE 32 HD2 PHE 32 -0.260 1.024 -7.002
254 HE1 PHE 32 HE1 PHE 32 3.859 -1.201 -8.642
255 HE2 PHE 32 HE2 PHE 32 -0.423 -1.059 -8.335
256 HZ PHE 32 HZ PHE 32 1.636 -2.172 -9.156
257 H TRP 33 H TRP 33 2.863 4.393 -4.669
258 HA TRP 33 HA TRP 33 1.441 6.901 -5.360
259 HB2 TRP 33 1HB TRP 33 1.727 7.183 -2.762
260 HB3 TRP 33 2HB TRP 33 0.558 6.016 -3.379
261 HD1 TRP 33 HD1 TRP 33 3.878 6.275 -1.581
262 HE1 TRP 33 HE1 TRP 33 4.573 3.932 -0.749
263 HE3 TRP 33 HE3 TRP 33 0.344 3.428 -3.909
264 HZ2 TRP 33 HZ2 TRP 33 3.745 1.221 -1.040
265 HZ3 TRP 33 HZ3 TRP 33 0.322 0.968 -3.624
266 HH2 TRP 33 HH2 TRP 33 2.014 -0.141 -2.189
Start of MODEL 19
1 H1 ASN 1 1H ASN 1 -27.224 -0.396 2.274
2 H2 ASN 1 2H ASN 1 -26.066 -1.260 3.167
3 H3 ASN 1 3H ASN 1 -25.910 -1.119 1.481
4 HA ASN 1 HA ASN 1 -24.694 0.696 1.731
5 HB2 ASN 1 1HB ASN 1 -27.041 1.723 1.664
6 HB3 ASN 1 2HB ASN 1 -26.910 1.876 3.416
7 HD21 ASN 1 2HD2 ASN 1 -23.790 2.174 2.543
8 HD22 ASN 1 1HD2 ASN 1 -23.692 3.848 2.280
9 H GLU 2 H GLU 2 -25.735 -1.015 4.467
10 HA GLU 2 HA GLU 2 -24.704 0.341 6.670
11 HB2 GLU 2 1HB GLU 2 -25.785 -1.982 6.597
12 HB3 GLU 2 2HB GLU 2 -24.178 -2.598 6.211
13 HG2 GLU 2 1HG GLU 2 -23.280 -1.635 8.276
14 HG3 GLU 2 2HG GLU 2 -24.855 -0.937 8.655
15 H LEU 3 H LEU 3 -22.796 -2.104 4.905
16 HA LEU 3 HA LEU 3 -20.290 -1.203 5.961
17 HB2 LEU 3 1HB LEU 3 -20.716 -2.657 3.346
18 HB3 LEU 3 2HB LEU 3 -19.253 -2.630 4.326
19 HG LEU 3 HG LEU 3 -21.868 -4.043 4.876
20 HD11 LEU 3 1HD1 LEU 3 -20.310 -5.932 5.273
21 HD12 LEU 3 2HD1 LEU 3 -18.949 -4.857 4.942
22 HD13 LEU 3 3HD1 LEU 3 -20.103 -5.239 3.664
23 HD21 LEU 3 3HD2 LEU 3 -20.842 -4.599 7.148
24 HD22 LEU 3 1HD2 LEU 3 -21.447 -2.951 6.982
25 HD23 LEU 3 2HD2 LEU 3 -19.715 -3.272 6.873
26 H ASP 4 H ASP 4 -18.528 -0.254 4.655
27 HA ASP 4 HA ASP 4 -19.452 2.040 3.143
28 HB2 ASP 4 1HB ASP 4 -16.775 0.940 3.904
29 HB3 ASP 4 2HB ASP 4 -16.882 2.225 2.718
30 H VAL 5 H VAL 5 -18.179 2.336 0.940
31 HA VAL 5 HA VAL 5 -18.819 -0.090 -0.652
32 HB VAL 5 HB VAL 5 -18.919 2.851 -1.110
33 HG11 VAL 5 1HG1 VAL 5 -18.494 0.801 -3.305
34 HG12 VAL 5 2HG1 VAL 5 -17.491 2.220 -2.977
35 HG13 VAL 5 3HG1 VAL 5 -19.139 2.418 -3.590
36 HG21 VAL 5 3HG2 VAL 5 -20.707 0.603 -2.033
37 HG22 VAL 5 1HG2 VAL 5 -21.101 2.322 -1.930
38 HG23 VAL 5 2HG2 VAL 5 -20.846 1.381 -0.451
39 HA PRO 6 HA PRO 6 -14.487 0.768 -2.243
40 HB2 PRO 6 1HB PRO 6 -13.092 2.927 -1.638
41 HB3 PRO 6 2HB PRO 6 -14.527 3.095 -2.673
42 HG2 PRO 6 1HG PRO 6 -14.287 3.534 0.283
43 HG3 PRO 6 2HG PRO 6 -14.945 4.627 -0.958
44 HD2 PRO 6 1HD PRO 6 -16.543 2.963 0.513
45 HD3 PRO 6 2HD PRO 6 -16.907 3.450 -1.147
46 H GLU 7 H GLU 7 -15.375 0.086 0.587
47 HA GLU 7 HA GLU 7 -13.427 0.387 2.506
48 HB2 GLU 7 1HB GLU 7 -15.684 -1.139 2.315
49 HB3 GLU 7 2HB GLU 7 -14.466 -2.411 2.238
50 HG2 GLU 7 1HG GLU 7 -13.417 -1.312 4.301
51 HG3 GLU 7 2HG GLU 7 -14.904 -0.375 4.421
52 H GLN 8 H GLN 8 -13.224 -1.774 -0.316
53 HA GLN 8 HA GLN 8 -10.971 -3.289 0.407
54 HB2 GLN 8 1HB GLN 8 -11.132 -2.014 -2.327
55 HB3 GLN 8 2HB GLN 8 -10.594 -3.639 -1.892
56 HG2 GLN 8 1HG GLN 8 -13.030 -4.007 -1.075
57 HG3 GLN 8 2HG GLN 8 -13.412 -2.562 -2.012
58 HE21 GLN 8 2HE2 GLN 8 -12.551 -5.955 -2.233
59 HE22 GLN 8 1HE2 GLN 8 -12.672 -6.074 -3.923
60 H VAL 9 H VAL 9 -11.171 0.028 -0.731
61 HA VAL 9 HA VAL 9 -8.511 0.780 -0.994
62 HB VAL 9 HB VAL 9 -10.828 2.272 0.261
63 HG11 VAL 9 1HG1 VAL 9 -8.057 3.167 -0.505
64 HG12 VAL 9 2HG1 VAL 9 -8.929 3.431 1.011
65 HG13 VAL 9 3HG1 VAL 9 -9.413 4.297 -0.451
66 HG21 VAL 9 3HG2 VAL 9 -10.876 3.359 -1.995
67 HG22 VAL 9 1HG2 VAL 9 -11.264 1.637 -2.016
68 HG23 VAL 9 2HG2 VAL 9 -9.667 2.190 -2.529
69 H ASP 10 H ASP 10 -10.414 1.402 1.922
70 HA ASP 10 HA ASP 10 -8.397 1.960 3.730
71 HB2 ASP 10 1HB ASP 10 -10.736 2.093 4.341
72 HB3 ASP 10 2HB ASP 10 -10.934 0.349 4.145
73 H LYS 11 H LYS 11 -9.487 -1.242 2.675
74 HA LYS 11 HA LYS 11 -7.593 -2.608 4.414
75 HB2 LYS 11 1HB LYS 11 -8.939 -3.780 1.981
76 HB3 LYS 11 2HB LYS 11 -8.276 -4.636 3.374
77 HG2 LYS 11 1HG LYS 11 -9.984 -3.715 4.820
78 HG3 LYS 11 2HG LYS 11 -10.588 -2.694 3.520
79 HD2 LYS 11 1HD LYS 11 -11.090 -4.770 2.200
80 HD3 LYS 11 2HD LYS 11 -10.625 -5.723 3.608
81 HE2 LYS 11 1HE LYS 11 -12.723 -3.566 3.804
82 HE3 LYS 11 2HE LYS 11 -13.134 -5.205 3.303
83 HZ1 LYS 11 3HZ LYS 11 -11.612 -5.648 5.466
84 HZ2 LYS 11 1HZ LYS 11 -13.306 -5.574 5.487
85 HZ3 LYS 11 2HZ LYS 11 -12.392 -4.204 5.907
86 H LEU 12 H LEU 12 -7.612 -1.390 1.107
87 HA LEU 12 HA LEU 12 -5.216 -2.703 0.233
88 HB2 LEU 12 1HB LEU 12 -6.464 -0.108 -0.508
89 HB3 LEU 12 2HB LEU 12 -5.070 -0.746 -1.299
90 HG LEU 12 HG LEU 12 -7.857 -1.338 -1.775
91 HD11 LEU 12 1HD1 LEU 12 -5.310 -2.263 -3.071
92 HD12 LEU 12 2HD1 LEU 12 -6.201 -0.792 -3.473
93 HD13 LEU 12 3HD1 LEU 12 -6.913 -2.375 -3.803
94 HD21 LEU 12 3HD2 LEU 12 -7.834 -3.738 -1.977
95 HD22 LEU 12 1HD2 LEU 12 -7.400 -3.369 -0.316
96 HD23 LEU 12 2HD2 LEU 12 -6.152 -3.823 -1.476
97 H ILE 13 H ILE 13 -5.850 0.493 1.595
98 HA ILE 13 HA ILE 13 -3.307 1.494 1.967
99 HB ILE 13 HB ILE 13 -5.887 1.545 3.472
100 HG12 ILE 13 1HG1 ILE 13 -5.616 3.968 3.093
101 HG13 ILE 13 2HG1 ILE 13 -4.068 3.667 2.318
102 HG21 ILE 13 1HG2 ILE 13 -4.788 3.178 5.121
103 HG22 ILE 13 2HG2 ILE 13 -3.253 2.449 4.630
104 HG23 ILE 13 3HG2 ILE 13 -4.503 1.451 5.387
105 HD11 ILE 13 3HD1 ILE 13 -5.834 3.907 0.637
106 HD12 ILE 13 1HD1 ILE 13 -6.765 2.633 1.417
107 HD13 ILE 13 2HD1 ILE 13 -5.228 2.253 0.640
108 H GLN 14 H GLN 14 -5.049 -0.738 4.119
109 HA GLN 14 HA GLN 14 -3.145 -1.060 6.111
110 HB2 GLN 14 1HB GLN 14 -5.337 -2.752 5.015
111 HB3 GLN 14 2HB GLN 14 -4.160 -3.569 6.011
112 HG2 GLN 14 1HG GLN 14 -5.834 -2.920 7.516
113 HG3 GLN 14 2HG GLN 14 -4.587 -1.694 7.737
114 HE21 GLN 14 2HE2 GLN 14 -7.841 -2.292 6.545
115 HE22 GLN 14 1HE2 GLN 14 -8.229 -0.669 6.239
116 H GLN 15 H GLN 15 -3.372 -2.948 3.066
117 HA GLN 15 HA GLN 15 -0.799 -4.219 3.737
118 HB2 GLN 15 1HB GLN 15 -1.053 -5.534 1.723
119 HB3 GLN 15 2HB GLN 15 -2.575 -5.534 2.601
120 HG2 GLN 15 1HG GLN 15 -3.194 -5.187 0.355
121 HG3 GLN 15 2HG GLN 15 -3.258 -3.593 1.077
122 HE21 GLN 15 2HE2 GLN 15 -2.221 -2.008 -0.146
123 HE22 GLN 15 1HE2 GLN 15 -0.937 -2.293 -1.219
124 H ALA 16 H ALA 16 -1.827 -1.379 2.218
125 HA ALA 16 HA ALA 16 0.349 -1.136 0.293
126 HB1 ALA 16 3HB ALA 16 -0.544 0.973 -0.172
127 HB2 ALA 16 1HB ALA 16 -1.057 1.244 1.496
128 HB3 ALA 16 2HB ALA 16 -1.964 0.139 0.462
129 H THR 17 H THR 17 -0.157 -0.217 3.691
130 HA THR 17 HA THR 17 2.040 1.493 4.042
131 HB THR 17 HB THR 17 0.552 -0.447 5.795
132 HG1 THR 17 HG1 THR 17 0.062 1.884 5.123
133 HG21 THR 17 3HG2 THR 17 1.929 0.539 7.714
134 HG22 THR 17 1HG2 THR 17 3.100 1.004 6.481
135 HG23 THR 17 2HG2 THR 17 2.707 -0.695 6.725
136 H SER 18 H SER 18 1.879 -2.074 4.137
137 HA SER 18 HA SER 18 4.618 -2.520 4.765
138 HB2 SER 18 1HB SER 18 4.171 -4.751 4.307
139 HB3 SER 18 2HB SER 18 2.525 -4.163 4.498
140 HG SER 18 HG SER 18 2.210 -4.345 2.406
141 H ILE 19 H ILE 19 2.973 -2.410 1.572
142 HA ILE 19 HA ILE 19 5.142 -2.764 -0.109
143 HB ILE 19 HB ILE 19 2.590 -1.194 -0.224
144 HG12 ILE 19 1HG1 ILE 19 2.411 -2.667 -2.368
145 HG13 ILE 19 2HG1 ILE 19 3.782 -3.528 -1.706
146 HG21 ILE 19 1HG2 ILE 19 3.163 -0.611 -2.633
147 HG22 ILE 19 2HG2 ILE 19 4.845 -0.918 -2.191
148 HG23 ILE 19 3HG2 ILE 19 3.933 0.352 -1.376
149 HD11 ILE 19 3HD1 ILE 19 1.046 -3.210 -0.501
150 HD12 ILE 19 1HD1 ILE 19 2.430 -3.756 0.443
151 HD13 ILE 19 2HD1 ILE 19 1.875 -4.703 -0.933
152 H GLU 20 H GLU 20 4.424 -0.075 1.991
153 HA GLU 20 HA GLU 20 6.119 1.879 0.752
154 HB2 GLU 20 1HB GLU 20 4.326 2.001 2.738
155 HB3 GLU 20 2HB GLU 20 5.759 1.813 3.740
156 HG2 GLU 20 1HG GLU 20 5.384 3.940 1.606
157 HG3 GLU 20 2HG GLU 20 5.229 4.198 3.343
158 H ARG 21 H ARG 21 6.671 -0.657 3.152
159 HA ARG 21 HA ARG 21 9.474 0.097 3.538
160 HB2 ARG 21 1HB ARG 21 7.828 -2.288 4.441
161 HB3 ARG 21 2HB ARG 21 9.520 -2.063 4.851
162 HG2 ARG 21 1HG ARG 21 8.566 -1.071 6.718
163 HG3 ARG 21 2HG ARG 21 8.642 0.341 5.670
164 HD2 ARG 21 1HD ARG 21 6.418 0.455 6.319
165 HD3 ARG 21 2HD ARG 21 6.239 -0.570 4.896
166 HE ARG 21 HE ARG 21 5.636 -2.335 6.335
167 HH11 ARG 21 1HH2 ARG 21 7.332 0.167 7.995
168 HH12 ARG 21 2HH2 ARG 21 7.108 -0.538 9.561
169 HH21 ARG 21 1HH1 ARG 21 5.335 -3.270 8.372
170 HH22 ARG 21 2HH1 ARG 21 5.978 -2.484 9.775
171 H LEU 22 H LEU 22 7.623 -2.164 1.587
172 HA LEU 22 HA LEU 22 9.864 -3.798 0.771
173 HB2 LEU 22 1HB LEU 22 7.322 -3.279 -0.787
174 HB3 LEU 22 2HB LEU 22 8.382 -4.667 -0.907
175 HG LEU 22 HG LEU 22 6.557 -3.948 1.334
176 HD11 LEU 22 1HD1 LEU 22 5.750 -6.250 0.958
177 HD12 LEU 22 2HD1 LEU 22 6.946 -6.430 -0.325
178 HD13 LEU 22 3HD1 LEU 22 5.631 -5.268 -0.503
179 HD21 LEU 22 3HD2 LEU 22 8.535 -4.572 2.516
180 HD22 LEU 22 1HD2 LEU 22 8.904 -5.843 1.349
181 HD23 LEU 22 2HD2 LEU 22 7.549 -6.033 2.462
182 H CYS 23 H CYS 23 8.069 -1.248 -0.990
183 HA CYS 23 HA CYS 23 9.644 -1.020 -3.258
184 HB2 CYS 23 1HB CYS 23 9.108 1.464 -3.153
185 HB3 CYS 23 2HB CYS 23 7.721 0.384 -3.057
186 HG CYS 23 HG CYS 23 8.766 2.172 -0.780
187 H GLN 24 H GLN 24 10.336 0.465 -0.077
188 HA GLN 24 HA GLN 24 12.605 1.948 -0.725
189 HB2 GLN 24 1HB GLN 24 11.875 0.329 1.718
190 HB3 GLN 24 2HB GLN 24 13.365 1.258 1.644
191 HG2 GLN 24 1HG GLN 24 10.663 2.476 1.060
192 HG3 GLN 24 2HG GLN 24 11.375 2.468 2.674
193 HE21 GLN 24 2HE2 GLN 24 11.058 4.438 0.034
194 HE22 GLN 24 1HE2 GLN 24 12.482 5.351 0.181
195 H HIS 25 H HIS 25 12.221 -1.526 -0.525
196 HA HIS 25 HA HIS 25 15.147 -1.959 -0.821
197 HB2 HIS 25 1HB HIS 25 13.400 -3.325 0.663
198 HB3 HIS 25 2HB HIS 25 13.123 -4.190 -0.838
199 HD1 HIS 25 HD1 HIS 25 15.931 -3.320 1.570
200 HD2 HIS 25 HD2 HIS 25 15.138 -6.013 -1.515
201 HE1 HIS 25 HE1 HIS 25 17.860 -4.963 1.538
202 HE2 HIS 25 HE2 HIS 25 17.388 -6.606 -0.336
203 H TYR 26 H TYR 26 12.228 -3.285 -2.343
204 HA TYR 26 HA TYR 26 13.302 -4.345 -4.654
205 HB2 TYR 26 1HB TYR 26 10.669 -2.953 -4.168
206 HB3 TYR 26 2HB TYR 26 11.050 -3.672 -5.730
207 HD1 TYR 26 HD2 TYR 26 11.381 -6.103 -5.962
208 HD2 TYR 26 HD1 TYR 26 10.295 -4.335 -2.205
209 HE1 TYR 26 HE2 TYR 26 10.765 -8.341 -5.088
210 HE2 TYR 26 HE1 TYR 26 9.677 -6.572 -1.328
211 HH TYR 26 HH TYR 26 10.320 -8.986 -1.847
212 H ILE 27 H ILE 27 11.734 -1.097 -4.825
213 HA ILE 27 HA ILE 27 13.555 -0.474 -7.086
214 HB ILE 27 HB ILE 27 11.051 -0.222 -7.284
215 HG12 ILE 27 1HG1 ILE 27 12.603 2.344 -7.603
216 HG13 ILE 27 2HG1 ILE 27 12.718 0.987 -8.708
217 HG21 ILE 27 1HG2 ILE 27 11.444 2.200 -5.580
218 HG22 ILE 27 2HG2 ILE 27 10.846 0.683 -4.931
219 HG23 ILE 27 3HG2 ILE 27 9.936 1.534 -6.179
220 HD11 ILE 27 3HD1 ILE 27 10.224 1.121 -9.020
221 HD12 ILE 27 1HD1 ILE 27 11.105 2.523 -9.629
222 HD13 ILE 27 2HD1 ILE 27 10.252 2.619 -8.088
223 H GLY 28 H GLY 28 12.532 0.874 -3.943
224 HA2 GLY 28 1HA GLY 28 14.453 1.853 -2.599
225 HA3 GLY 28 2HA GLY 28 14.904 2.719 -4.062
226 H TRP 29 H TRP 29 12.399 3.494 -4.956
227 HA TRP 29 HA TRP 29 11.455 5.358 -2.791
228 HB2 TRP 29 1HB TRP 29 11.052 7.016 -4.532
229 HB3 TRP 29 2HB TRP 29 12.717 6.450 -4.676
230 HD1 TRP 29 HD1 TRP 29 12.975 4.263 -6.439
231 HE1 TRP 29 HE1 TRP 29 11.894 3.988 -8.766
232 HE3 TRP 29 HE3 TRP 29 9.237 7.716 -6.092
233 HZ2 TRP 29 HZ2 TRP 29 9.765 5.104 -10.286
234 HZ3 TRP 29 HZ3 TRP 29 7.702 8.101 -8.001
235 HH2 TRP 29 HH2 TRP 29 7.960 6.797 -10.096
236 H CYS 30 H CYS 30 9.111 6.238 -3.694
237 HA CYS 30 HA CYS 30 7.442 3.848 -3.718
238 HB2 CYS 30 1HB CYS 30 5.606 5.671 -3.961
239 HB3 CYS 30 2HB CYS 30 6.540 5.623 -2.467
240 HG CYS 30 HG CYS 30 7.242 7.933 -2.981
241 HA PRO 31 HA PRO 31 7.566 4.072 -8.269
242 HB2 PRO 31 1HB PRO 31 6.370 1.651 -8.804
243 HB3 PRO 31 2HB PRO 31 8.085 1.841 -8.417
244 HG2 PRO 31 1HG PRO 31 5.888 0.817 -6.732
245 HG3 PRO 31 2HG PRO 31 7.623 0.463 -6.674
246 HD2 PRO 31 1HD PRO 31 6.222 2.201 -4.928
247 HD3 PRO 31 2HD PRO 31 7.980 2.077 -5.093
248 H PHE 32 H PHE 32 4.716 3.279 -6.353
249 HA PHE 32 HA PHE 32 2.851 3.893 -8.505
250 HB2 PHE 32 1HB PHE 32 2.595 3.182 -5.588
251 HB3 PHE 32 2HB PHE 32 1.201 3.762 -6.493
252 HD1 PHE 32 HD2 PHE 32 0.411 2.507 -8.515
253 HD2 PHE 32 HD1 PHE 32 3.464 0.974 -5.911
254 HE1 PHE 32 HE2 PHE 32 0.088 0.241 -9.471
255 HE2 PHE 32 HE1 PHE 32 3.141 -1.291 -6.868
256 HZ PHE 32 HZ PHE 32 1.454 -1.658 -8.647
257 H TRP 33 H TRP 33 3.118 5.302 -5.225
258 HA TRP 33 HA TRP 33 2.218 7.903 -6.318
259 HB2 TRP 33 1HB TRP 33 2.348 8.472 -3.769
260 HB3 TRP 33 2HB TRP 33 1.066 7.405 -4.334
261 HD1 TRP 33 HD1 TRP 33 4.257 7.449 -2.299
262 HE1 TRP 33 HE1 TRP 33 4.531 5.174 -1.108
263 HE3 TRP 33 HE3 TRP 33 0.497 4.824 -4.534
264 HZ2 TRP 33 HZ2 TRP 33 3.320 2.596 -1.107
265 HZ3 TRP 33 HZ3 TRP 33 0.081 2.458 -3.929
266 HH2 TRP 33 HH2 TRP 33 1.486 1.338 -2.215
Start of MODEL 20
1 H1 ASN 1 1H ASN 1 -25.020 2.958 5.010
2 H2 ASN 1 2H ASN 1 -26.280 3.559 5.978
3 H3 ASN 1 3H ASN 1 -25.876 4.338 4.523
4 HA ASN 1 HA ASN 1 -27.898 2.644 4.732
5 HB2 ASN 1 1HB ASN 1 -27.121 4.083 2.774
6 HB3 ASN 1 2HB ASN 1 -26.112 2.719 2.290
7 HD21 ASN 1 2HD2 ASN 1 -29.478 2.861 3.591
8 HD22 ASN 1 1HD2 ASN 1 -30.164 1.982 2.311
9 H GLU 2 H GLU 2 -24.939 1.462 3.103
10 HA GLU 2 HA GLU 2 -25.277 -1.166 4.489
11 HB2 GLU 2 1HB GLU 2 -24.802 -0.903 1.503
12 HB3 GLU 2 2HB GLU 2 -25.079 -2.389 2.416
13 HG2 GLU 2 1HG GLU 2 -27.325 -1.626 2.998
14 HG3 GLU 2 2HG GLU 2 -27.057 -0.130 2.108
15 H LEU 3 H LEU 3 -23.213 -1.932 2.247
16 HA LEU 3 HA LEU 3 -20.880 -1.723 3.869
17 HB2 LEU 3 1HB LEU 3 -20.925 -1.994 0.858
18 HB3 LEU 3 2HB LEU 3 -19.643 -2.495 1.958
19 HG LEU 3 HG LEU 3 -22.371 -3.736 1.559
20 HD11 LEU 3 1HD1 LEU 3 -20.511 -4.527 0.176
21 HD12 LEU 3 2HD1 LEU 3 -20.973 -5.774 1.334
22 HD13 LEU 3 3HD1 LEU 3 -19.533 -4.794 1.619
23 HD21 LEU 3 3HD2 LEU 3 -20.502 -4.025 3.932
24 HD22 LEU 3 1HD2 LEU 3 -21.700 -5.250 3.512
25 HD23 LEU 3 2HD2 LEU 3 -22.220 -3.626 3.957
26 H ASP 4 H ASP 4 -19.014 -0.413 3.603
27 HA ASP 4 HA ASP 4 -19.519 2.322 2.844
28 HB2 ASP 4 1HB ASP 4 -17.172 0.735 3.763
29 HB3 ASP 4 2HB ASP 4 -16.831 2.256 2.964
30 H VAL 5 H VAL 5 -17.647 3.207 1.219
31 HA VAL 5 HA VAL 5 -18.049 1.607 -1.261
32 HB VAL 5 HB VAL 5 -17.857 4.525 -0.657
33 HG11 VAL 5 1HG1 VAL 5 -16.076 4.286 -2.326
34 HG12 VAL 5 2HG1 VAL 5 -17.510 4.963 -3.107
35 HG13 VAL 5 3HG1 VAL 5 -17.119 3.256 -3.314
36 HG21 VAL 5 3HG2 VAL 5 -19.975 3.222 -0.918
37 HG22 VAL 5 1HG2 VAL 5 -19.530 2.951 -2.608
38 HG23 VAL 5 2HG2 VAL 5 -19.817 4.595 -2.029
39 HA PRO 6 HA PRO 6 -13.423 2.202 -1.394
40 HB2 PRO 6 1HB PRO 6 -12.085 3.927 0.076
41 HB3 PRO 6 2HB PRO 6 -13.204 4.531 -1.170
42 HG2 PRO 6 1HG PRO 6 -13.675 4.228 1.770
43 HG3 PRO 6 2HG PRO 6 -13.943 5.653 0.743
44 HD2 PRO 6 1HD PRO 6 -15.951 3.848 1.354
45 HD3 PRO 6 2HD PRO 6 -15.900 4.822 -0.124
46 H GLU 7 H GLU 7 -14.307 0.199 -0.060
47 HA GLU 7 HA GLU 7 -13.242 0.035 2.663
48 HB2 GLU 7 1HB GLU 7 -15.257 -1.129 2.588
49 HB3 GLU 7 2HB GLU 7 -15.029 -1.615 0.910
50 HG2 GLU 7 1HG GLU 7 -13.577 -3.371 1.480
51 HG3 GLU 7 2HG GLU 7 -13.276 -2.727 3.092
52 H GLN 8 H GLN 8 -12.655 -1.556 -0.503
53 HA GLN 8 HA GLN 8 -10.505 -3.194 0.313
54 HB2 GLN 8 1HB GLN 8 -10.410 -1.685 -2.300
55 HB3 GLN 8 2HB GLN 8 -9.911 -3.345 -1.959
56 HG2 GLN 8 1HG GLN 8 -12.466 -3.679 -1.352
57 HG3 GLN 8 2HG GLN 8 -12.682 -2.239 -2.343
58 HE21 GLN 8 2HE2 GLN 8 -11.953 -5.654 -2.406
59 HE22 GLN 8 1HE2 GLN 8 -11.856 -5.808 -4.094
60 H VAL 9 H VAL 9 -10.674 0.219 -0.421
61 HA VAL 9 HA VAL 9 -8.015 1.048 -0.417
62 HB VAL 9 HB VAL 9 -10.380 2.320 0.978
63 HG11 VAL 9 1HG1 VAL 9 -7.613 3.308 0.368
64 HG12 VAL 9 2HG1 VAL 9 -8.561 3.463 1.852
65 HG13 VAL 9 3HG1 VAL 9 -8.964 4.441 0.440
66 HG21 VAL 9 3HG2 VAL 9 -10.187 3.767 -1.240
67 HG22 VAL 9 1HG2 VAL 9 -11.078 2.243 -1.229
68 HG23 VAL 9 2HG2 VAL 9 -9.431 2.304 -1.868
69 H ASP 10 H ASP 10 -10.100 1.274 2.422
70 HA ASP 10 HA ASP 10 -8.225 1.581 4.425
71 HB2 ASP 10 1HB ASP 10 -10.577 1.685 4.902
72 HB3 ASP 10 2HB ASP 10 -10.822 0.011 4.396
73 H LYS 11 H LYS 11 -9.170 -1.418 2.823
74 HA LYS 11 HA LYS 11 -7.480 -3.078 4.519
75 HB2 LYS 11 1HB LYS 11 -8.677 -3.637 1.789
76 HB3 LYS 11 2HB LYS 11 -7.904 -4.832 2.826
77 HG2 LYS 11 1HG LYS 11 -9.637 -4.123 4.609
78 HG3 LYS 11 2HG LYS 11 -10.497 -3.353 3.274
79 HD2 LYS 11 1HD LYS 11 -10.282 -5.632 2.066
80 HD3 LYS 11 2HD LYS 11 -9.869 -6.284 3.652
81 HE2 LYS 11 1HE LYS 11 -12.008 -5.224 4.520
82 HE3 LYS 11 2HE LYS 11 -12.431 -4.903 2.835
83 HZ1 LYS 11 3HZ LYS 11 -12.677 -7.110 2.375
84 HZ2 LYS 11 1HZ LYS 11 -13.167 -7.108 3.999
85 HZ3 LYS 11 2HZ LYS 11 -11.598 -7.614 3.587
86 H LEU 12 H LEU 12 -7.237 -1.552 1.333
87 HA LEU 12 HA LEU 12 -4.713 -2.567 0.573
88 HB2 LEU 12 1HB LEU 12 -6.012 0.057 0.085
89 HB3 LEU 12 2HB LEU 12 -4.522 -0.407 -0.653
90 HG LEU 12 HG LEU 12 -7.204 -1.002 -1.498
91 HD11 LEU 12 1HD1 LEU 12 -5.391 -0.263 -2.928
92 HD12 LEU 12 2HD1 LEU 12 -6.006 -1.817 -3.499
93 HD13 LEU 12 3HD1 LEU 12 -4.500 -1.745 -2.574
94 HD21 LEU 12 3HD2 LEU 12 -5.507 -3.501 -1.290
95 HD22 LEU 12 1HD2 LEU 12 -7.128 -3.360 -1.951
96 HD23 LEU 12 2HD2 LEU 12 -6.875 -3.181 -0.225
97 H ILE 13 H ILE 13 -5.519 0.444 2.250
98 HA ILE 13 HA ILE 13 -3.067 1.453 2.900
99 HB ILE 13 HB ILE 13 -5.698 1.239 4.288
100 HG12 ILE 13 1HG1 ILE 13 -5.521 3.690 4.182
101 HG13 ILE 13 2HG1 ILE 13 -3.910 3.549 3.495
102 HG21 ILE 13 1HG2 ILE 13 -4.701 2.722 6.144
103 HG22 ILE 13 2HG2 ILE 13 -3.134 2.074 5.636
104 HG23 ILE 13 3HG2 ILE 13 -4.392 0.983 6.234
105 HD11 ILE 13 3HD1 ILE 13 -6.479 2.522 2.279
106 HD12 ILE 13 1HD1 ILE 13 -4.877 2.308 1.576
107 HD13 ILE 13 2HD1 ILE 13 -5.566 3.922 1.730
108 H GLN 14 H GLN 14 -4.730 -1.168 4.693
109 HA GLN 14 HA GLN 14 -2.785 -1.569 6.665
110 HB2 GLN 14 1HB GLN 14 -4.573 -3.611 5.332
111 HB3 GLN 14 2HB GLN 14 -3.658 -3.882 6.803
112 HG2 GLN 14 1HG GLN 14 -4.824 -1.863 7.789
113 HG3 GLN 14 2HG GLN 14 -5.884 -1.906 6.385
114 HE21 GLN 14 2HE2 GLN 14 -7.821 -2.646 7.340
115 HE22 GLN 14 1HE2 GLN 14 -7.957 -4.128 8.159
116 H GLN 15 H GLN 15 -2.991 -3.126 3.440
117 HA GLN 15 HA GLN 15 -0.369 -4.376 3.949
118 HB2 GLN 15 1HB GLN 15 -0.551 -5.219 1.600
119 HB3 GLN 15 2HB GLN 15 -1.888 -5.691 2.636
120 HG2 GLN 15 1HG GLN 15 -2.933 -5.014 0.646
121 HG3 GLN 15 2HG GLN 15 -3.101 -3.634 1.713
122 HE21 GLN 15 2HE2 GLN 15 -2.496 -1.669 0.760
123 HE22 GLN 15 1HE2 GLN 15 -1.391 -1.512 -0.519
124 H ALA 16 H ALA 16 -1.636 -1.534 2.419
125 HA ALA 16 HA ALA 16 0.529 -0.873 0.704
126 HB1 ALA 16 3HB ALA 16 -1.802 0.290 1.156
127 HB2 ALA 16 1HB ALA 16 -0.434 1.249 0.596
128 HB3 ALA 16 2HB ALA 16 -0.873 1.254 2.306
129 H THR 17 H THR 17 0.048 -0.177 4.190
130 HA THR 17 HA THR 17 2.296 1.407 4.652
131 HB THR 17 HB THR 17 0.676 -0.530 6.251
132 HG1 THR 17 HG1 THR 17 -0.057 1.284 6.960
133 HG21 THR 17 3HG2 THR 17 3.378 0.509 7.091
134 HG22 THR 17 1HG2 THR 17 2.782 -1.147 7.137
135 HG23 THR 17 2HG2 THR 17 2.140 0.050 8.261
136 H SER 18 H SER 18 2.091 -2.147 4.483
137 HA SER 18 HA SER 18 4.859 -2.606 5.077
138 HB2 SER 18 1HB SER 18 4.391 -4.830 4.621
139 HB3 SER 18 2HB SER 18 2.758 -4.236 4.878
140 HG SER 18 HG SER 18 2.522 -5.084 2.944
141 H ILE 19 H ILE 19 3.102 -2.366 1.950
142 HA ILE 19 HA ILE 19 5.227 -2.754 0.202
143 HB ILE 19 HB ILE 19 2.720 -1.101 0.162
144 HG12 ILE 19 1HG1 ILE 19 2.398 -2.587 -1.942
145 HG13 ILE 19 2HG1 ILE 19 3.772 -3.488 -1.345
146 HG21 ILE 19 1HG2 ILE 19 3.255 -0.580 -2.274
147 HG22 ILE 19 2HG2 ILE 19 4.930 -0.956 -1.864
148 HG23 ILE 19 3HG2 ILE 19 4.097 0.368 -1.052
149 HD11 ILE 19 3HD1 ILE 19 1.759 -4.547 -0.542
150 HD12 ILE 19 1HD1 ILE 19 1.171 -3.016 0.097
151 HD13 ILE 19 2HD1 ILE 19 2.575 -3.793 0.822
152 H GLU 20 H GLU 20 4.340 0.166 2.035
153 HA GLU 20 HA GLU 20 6.099 2.026 0.908
154 HB2 GLU 20 1HB GLU 20 4.424 2.178 2.950
155 HB3 GLU 20 2HB GLU 20 5.859 1.842 3.907
156 HG2 GLU 20 1HG GLU 20 6.922 3.776 2.418
157 HG3 GLU 20 2HG GLU 20 5.236 4.236 2.193
158 H ARG 21 H ARG 21 6.766 -0.508 3.287
159 HA ARG 21 HA ARG 21 9.583 0.202 3.541
160 HB2 ARG 21 1HB ARG 21 7.876 -2.111 4.470
161 HB3 ARG 21 2HB ARG 21 9.623 -2.125 4.683
162 HG2 ARG 21 1HG ARG 21 8.378 -1.230 6.673
163 HG3 ARG 21 2HG ARG 21 9.541 -0.090 6.000
164 HD2 ARG 21 1HD ARG 21 7.841 1.190 4.949
165 HD3 ARG 21 2HD ARG 21 6.639 -0.086 5.163
166 HE ARG 21 HE ARG 21 7.335 1.928 7.123
167 HH11 ARG 21 1HH2 ARG 21 6.404 -1.356 6.640
168 HH12 ARG 21 2HH2 ARG 21 5.624 -1.500 8.179
169 HH21 ARG 21 1HH1 ARG 21 6.320 1.760 9.134
170 HH22 ARG 21 2HH1 ARG 21 5.574 0.264 9.591
171 H LEU 22 H LEU 22 7.735 -2.335 1.840
172 HA LEU 22 HA LEU 22 10.012 -3.711 0.770
173 HB2 LEU 22 1HB LEU 22 7.306 -3.491 -0.560
174 HB3 LEU 22 2HB LEU 22 8.466 -4.797 -0.687
175 HG LEU 22 HG LEU 22 6.735 -4.091 1.630
176 HD11 LEU 22 1HD1 LEU 22 5.874 -5.664 -0.042
177 HD12 LEU 22 2HD1 LEU 22 6.160 -6.480 1.496
178 HD13 LEU 22 3HD1 LEU 22 7.311 -6.663 0.173
179 HD21 LEU 22 3HD2 LEU 22 8.009 -5.921 2.874
180 HD22 LEU 22 1HD2 LEU 22 8.865 -4.391 2.696
181 HD23 LEU 22 2HD2 LEU 22 9.261 -5.749 1.644
182 H CYS 23 H CYS 23 7.751 -1.555 -0.952
183 HA CYS 23 HA CYS 23 9.041 -1.189 -3.357
184 HB2 CYS 23 1HB CYS 23 8.059 1.054 -3.411
185 HB3 CYS 23 2HB CYS 23 6.924 -0.079 -2.699
186 HG CYS 23 HG CYS 23 7.113 1.091 -0.506
187 H GLN 24 H GLN 24 9.762 0.783 -0.437
188 HA GLN 24 HA GLN 24 11.826 2.330 -1.492
189 HB2 GLN 24 1HB GLN 24 11.290 1.177 1.238
190 HB3 GLN 24 2HB GLN 24 12.776 2.071 0.952
191 HG2 GLN 24 1HG GLN 24 11.520 4.029 0.227
192 HG3 GLN 24 2HG GLN 24 10.003 3.137 0.351
193 HE21 GLN 24 2HE2 GLN 24 10.418 5.521 1.866
194 HE22 GLN 24 1HE2 GLN 24 10.513 5.108 3.510
195 H HIS 25 H HIS 25 11.786 -1.075 -0.799
196 HA HIS 25 HA HIS 25 14.734 -1.294 -1.090
197 HB2 HIS 25 1HB HIS 25 13.126 -2.594 0.590
198 HB3 HIS 25 2HB HIS 25 12.912 -3.672 -0.777
199 HD1 HIS 25 HD1 HIS 25 15.847 -2.038 1.056
200 HD2 HIS 25 HD2 HIS 25 14.877 -5.610 -0.868
201 HE1 HIS 25 HE1 HIS 25 17.863 -3.554 1.300
202 HE2 HIS 25 HE2 HIS 25 17.284 -5.731 0.133
203 H TYR 26 H TYR 26 11.982 -3.137 -2.374
204 HA TYR 26 HA TYR 26 13.201 -4.341 -4.540
205 HB2 TYR 26 1HB TYR 26 10.391 -3.290 -4.213
206 HB3 TYR 26 2HB TYR 26 10.885 -4.179 -5.652
207 HD1 TYR 26 HD1 TYR 26 10.350 -4.384 -2.010
208 HD2 TYR 26 HD2 TYR 26 11.439 -6.543 -5.559
209 HE1 TYR 26 HE1 TYR 26 10.071 -6.528 -0.792
210 HE2 TYR 26 HE2 TYR 26 11.161 -8.686 -4.342
211 HH TYR 26 HH TYR 26 11.291 -9.173 -1.427
212 H ILE 27 H ILE 27 11.164 -1.418 -5.151
213 HA ILE 27 HA ILE 27 12.760 -0.965 -7.569
214 HB ILE 27 HB ILE 27 10.290 -0.753 -7.627
215 HG12 ILE 27 1HG1 ILE 27 11.701 1.855 -8.215
216 HG13 ILE 27 2HG1 ILE 27 11.849 0.420 -9.215
217 HG21 ILE 27 1HG2 ILE 27 9.505 1.590 -6.723
218 HG22 ILE 27 2HG2 ILE 27 10.856 1.407 -5.627
219 HG23 ILE 27 3HG2 ILE 27 9.575 0.209 -5.637
220 HD11 ILE 27 3HD1 ILE 27 9.354 2.030 -8.667
221 HD12 ILE 27 1HD1 ILE 27 9.311 0.423 -9.394
222 HD13 ILE 27 2HD1 ILE 27 10.134 1.742 -10.222
223 H GLY 28 H GLY 28 12.458 0.450 -4.389
224 HA2 GLY 28 1HA GLY 28 14.453 1.715 -3.560
225 HA3 GLY 28 2HA GLY 28 14.525 2.498 -5.138
226 H TRP 29 H TRP 29 11.766 2.957 -5.501
227 HA TRP 29 HA TRP 29 11.054 4.825 -3.272
228 HB2 TRP 29 1HB TRP 29 10.354 6.466 -4.933
229 HB3 TRP 29 2HB TRP 29 12.023 6.006 -5.266
230 HD1 TRP 29 HD1 TRP 29 12.162 3.772 -7.038
231 HE1 TRP 29 HE1 TRP 29 10.886 3.498 -9.264
232 HE3 TRP 29 HE3 TRP 29 8.419 7.170 -6.333
233 HZ2 TRP 29 HZ2 TRP 29 8.606 4.586 -10.574
234 HZ3 TRP 29 HZ3 TRP 29 6.710 7.536 -8.092
235 HH2 TRP 29 HH2 TRP 29 6.798 6.247 -10.210
236 H CYS 30 H CYS 30 8.565 5.627 -4.302
237 HA CYS 30 HA CYS 30 7.047 3.099 -4.037
238 HB2 CYS 30 1HB CYS 30 5.096 4.834 -4.033
239 HB3 CYS 30 2HB CYS 30 6.164 4.758 -2.634
240 HG CYS 30 HG CYS 30 6.059 7.056 -4.690
241 HA PRO 31 HA PRO 31 6.685 3.426 -8.569
242 HB2 PRO 31 1HB PRO 31 5.424 1.006 -9.014
243 HB3 PRO 31 2HB PRO 31 7.175 1.208 -8.856
244 HG2 PRO 31 1HG PRO 31 5.233 0.126 -6.910
245 HG3 PRO 31 2HG PRO 31 6.955 -0.220 -7.100
246 HD2 PRO 31 1HD PRO 31 5.835 1.442 -5.123
247 HD3 PRO 31 2HD PRO 31 7.544 1.393 -5.582
248 H PHE 32 H PHE 32 4.095 2.855 -6.290
249 HA PHE 32 HA PHE 32 1.974 3.341 -8.244
250 HB2 PHE 32 1HB PHE 32 2.092 2.792 -5.290
251 HB3 PHE 32 2HB PHE 32 0.626 3.481 -5.975
252 HD1 PHE 32 HD1 PHE 32 3.070 0.898 -7.192
253 HD2 PHE 32 HD2 PHE 32 -1.013 1.833 -6.244
254 HE1 PHE 32 HE1 PHE 32 2.378 -1.350 -7.964
255 HE2 PHE 32 HE2 PHE 32 -1.705 -0.417 -7.018
256 HZ PHE 32 HZ PHE 32 -0.010 -2.010 -7.877
257 H TRP 33 H TRP 33 2.667 4.983 -5.139
258 HA TRP 33 HA TRP 33 1.729 7.531 -6.315
259 HB2 TRP 33 1HB TRP 33 2.215 8.283 -3.854
260 HB3 TRP 33 2HB TRP 33 0.829 7.241 -4.167
261 HD1 TRP 33 HD1 TRP 33 4.260 7.274 -2.561
262 HE1 TRP 33 HE1 TRP 33 4.595 5.075 -1.242
263 HE3 TRP 33 HE3 TRP 33 0.134 4.699 -4.085
264 HZ2 TRP 33 HZ2 TRP 33 3.290 2.567 -0.897
265 HZ3 TRP 33 HZ3 TRP 33 -0.296 2.405 -3.263
266 HH2 TRP 33 HH2 TRP 33 1.272 1.333 -1.664