Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505036 | 2eoh RC | 10206 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -22.704 13.413 13.456
2 HA2 GLY 1 1HA GLY 1 -22.243 10.826 14.100
3 HA3 GLY 1 2HA GLY 1 -22.885 10.703 12.468
4 H SER 2 H SER 2 -21.662 11.412 10.729
5 HA SER 2 HA SER 2 -18.957 11.044 10.768
6 HB2 SER 2 1HB SER 2 -20.655 11.473 8.786
7 HB3 SER 2 2HB SER 2 -20.029 13.118 8.898
8 HG SER 2 HG SER 2 -17.933 12.256 8.608
9 H SER 3 H SER 3 -17.129 12.331 10.917
10 HA SER 3 HA SER 3 -17.185 15.138 11.285
11 HB2 SER 3 1HB SER 3 -16.490 15.170 13.685
12 HB3 SER 3 2HB SER 3 -18.153 14.633 13.447
13 HG SER 3 HG SER 3 -17.641 12.764 14.254
14 H GLY 4 H GLY 4 -15.064 16.035 11.683
15 HA2 GLY 4 1HA GLY 4 -12.744 14.495 12.057
16 HA3 GLY 4 2HA GLY 4 -13.017 14.670 10.329
17 H SER 5 H SER 5 -11.499 15.987 12.959
18 HA SER 5 HA SER 5 -11.730 18.719 12.753
19 HB2 SER 5 1HB SER 5 -9.563 18.880 13.780
20 HB3 SER 5 2HB SER 5 -10.352 17.445 14.435
21 HG SER 5 HG SER 5 -8.008 17.543 13.328
22 H SER 6 H SER 6 -10.045 20.250 11.862
23 HA SER 6 HA SER 6 -9.960 19.976 9.039
24 HB2 SER 6 1HB SER 6 -10.147 22.186 9.905
25 HB3 SER 6 2HB SER 6 -8.735 21.977 10.941
26 HG SER 6 HG SER 6 -8.088 23.139 9.166
27 H GLY 7 H GLY 7 -8.385 19.290 7.702
28 HA2 GLY 7 1HA GLY 7 -5.808 19.281 7.565
29 HA3 GLY 7 2HA GLY 7 -5.948 18.229 8.966
30 H SER 8 H SER 8 -5.037 16.441 7.995
31 HA SER 8 HA SER 8 -4.999 14.490 6.825
32 HB2 SER 8 1HB SER 8 -7.917 15.124 6.316
33 HB3 SER 8 2HB SER 8 -7.145 13.562 6.043
34 HG SER 8 HG SER 8 -8.063 14.664 8.356
35 H GLY 9 H GLY 9 -4.110 16.802 5.519
36 HA2 GLY 9 1HA GLY 9 -5.138 17.292 2.985
37 HA3 GLY 9 2HA GLY 9 -3.447 17.474 3.427
38 H LYS 10 H LYS 10 -3.747 16.797 0.936
39 HA LYS 10 HA LYS 10 -4.237 14.298 0.035
40 HB2 LYS 10 1HB LYS 10 -3.252 16.326 -1.211
41 HB3 LYS 10 2HB LYS 10 -1.682 15.683 -0.748
42 HG2 LYS 10 1HG LYS 10 -2.388 13.521 -1.851
43 HG3 LYS 10 2HG LYS 10 -3.753 14.420 -2.517
44 HD2 LYS 10 1HD LYS 10 -2.359 15.812 -3.788
45 HD3 LYS 10 2HD LYS 10 -0.926 15.375 -2.855
46 HE2 LYS 10 1HE LYS 10 -0.648 14.189 -4.832
47 HE3 LYS 10 2HE LYS 10 -1.351 12.992 -3.746
48 HZ1 LYS 10 3HZ LYS 10 -2.511 14.279 -6.092
49 HZ2 LYS 10 1HZ LYS 10 -3.557 13.962 -4.800
50 HZ3 LYS 10 2HZ LYS 10 -2.698 12.697 -5.522
51 H LYS 11 H LYS 11 -3.766 12.404 0.932
52 HA LYS 11 HA LYS 11 -1.285 12.039 2.405
53 HB2 LYS 11 1HB LYS 11 -3.663 10.223 1.976
54 HB3 LYS 11 2HB LYS 11 -2.257 9.797 2.943
55 HG2 LYS 11 1HG LYS 11 -2.806 11.242 4.634
56 HG3 LYS 11 2HG LYS 11 -3.727 12.309 3.570
57 HD2 LYS 11 1HD LYS 11 -4.666 9.514 4.093
58 HD3 LYS 11 2HD LYS 11 -4.988 10.796 5.263
59 HE2 LYS 11 1HE LYS 11 -5.826 12.082 3.128
60 HE3 LYS 11 2HE LYS 11 -6.010 10.451 2.484
61 HZ1 LYS 11 3HZ LYS 11 -7.911 10.296 3.578
62 HZ2 LYS 11 1HZ LYS 11 -7.698 11.833 4.254
63 HZ3 LYS 11 2HZ LYS 11 -7.095 10.468 5.049
64 HA PRO 12 HA PRO 12 0.939 9.963 -0.761
65 HB2 PRO 12 1HB PRO 12 2.390 8.195 0.700
66 HB3 PRO 12 2HB PRO 12 2.724 9.930 0.684
67 HG2 PRO 12 1HG PRO 12 1.226 8.308 2.705
68 HG3 PRO 12 2HG PRO 12 2.415 9.597 2.965
69 HD2 PRO 12 1HD PRO 12 -0.253 10.015 3.160
70 HD3 PRO 12 2HD PRO 12 0.871 11.268 2.595
71 H TYR 13 H TYR 13 0.964 7.177 1.302
72 HA TYR 13 HA TYR 13 -0.583 5.708 -0.712
73 HB2 TYR 13 1HB TYR 13 1.307 4.709 1.429
74 HB3 TYR 13 2HB TYR 13 0.443 3.683 0.289
75 HD1 TYR 13 HD1 TYR 13 0.883 4.094 -2.219
76 HD2 TYR 13 HD2 TYR 13 3.405 5.563 0.878
77 HE1 TYR 13 HE1 TYR 13 2.717 4.343 -3.839
78 HE2 TYR 13 HE2 TYR 13 5.246 5.817 -0.734
79 HH TYR 13 HH TYR 13 5.426 4.367 -3.562
80 H GLU 14 H GLU 14 -1.703 3.685 0.344
81 HA GLU 14 HA GLU 14 -2.882 4.197 2.930
82 HB2 GLU 14 1HB GLU 14 -5.221 4.130 2.020
83 HB3 GLU 14 2HB GLU 14 -4.330 5.600 1.650
84 HG2 GLU 14 1HG GLU 14 -3.844 4.713 -0.592
85 HG3 GLU 14 2HG GLU 14 -4.807 3.286 -0.214
86 H CYS 15 H CYS 15 -2.879 2.282 3.882
87 HA CYS 15 HA CYS 15 -2.507 -0.160 2.562
88 HB2 CYS 15 1HB CYS 15 -2.221 0.565 5.096
89 HB3 CYS 15 2HB CYS 15 -3.842 -0.109 5.233
90 H LYS 16 H LYS 16 -4.125 -2.066 3.163
91 HA LYS 16 HA LYS 16 -6.747 -1.253 2.097
92 HB2 LYS 16 1HB LYS 16 -5.079 -3.717 1.731
93 HB3 LYS 16 2HB LYS 16 -6.825 -3.809 1.535
94 HG2 LYS 16 1HG LYS 16 -6.192 -3.401 -0.616
95 HG3 LYS 16 2HG LYS 16 -6.431 -1.748 -0.045
96 HD2 LYS 16 1HD LYS 16 -3.923 -1.849 0.575
97 HD3 LYS 16 2HD LYS 16 -3.871 -3.234 -0.518
98 HE2 LYS 16 1HE LYS 16 -5.172 -0.738 -1.474
99 HE3 LYS 16 2HE LYS 16 -3.413 -0.763 -1.359
100 HZ1 LYS 16 3HZ LYS 16 -3.364 -2.692 -2.789
101 HZ2 LYS 16 1HZ LYS 16 -4.206 -1.439 -3.553
102 HZ3 LYS 16 2HZ LYS 16 -5.054 -2.730 -2.863
103 H GLU 17 H GLU 17 -5.099 -3.088 4.582
104 HA GLU 17 HA GLU 17 -7.589 -4.069 5.707
105 HB2 GLU 17 1HB GLU 17 -5.805 -5.616 5.853
106 HB3 GLU 17 2HB GLU 17 -4.693 -4.397 6.458
107 HG2 GLU 17 1HG GLU 17 -5.201 -5.698 8.318
108 HG3 GLU 17 2HG GLU 17 -6.209 -4.263 8.499
109 H CYS 18 H CYS 18 -4.828 -2.367 7.187
110 HA CYS 18 HA CYS 18 -6.576 -1.182 9.161
111 HB2 CYS 18 1HB CYS 18 -4.550 -0.313 10.166
112 HB3 CYS 18 2HB CYS 18 -4.309 -2.006 9.749
113 H ARG 19 H ARG 19 -5.875 -0.432 6.048
114 HA ARG 19 HA ARG 19 -5.849 1.473 4.780
115 HB2 ARG 19 1HB ARG 19 -7.930 2.038 6.883
116 HB3 ARG 19 2HB ARG 19 -7.627 3.150 5.555
117 HG2 ARG 19 1HG ARG 19 -9.440 1.840 4.867
118 HG3 ARG 19 2HG ARG 19 -8.046 1.185 4.007
119 HD2 ARG 19 1HD ARG 19 -7.981 -0.729 5.303
120 HD3 ARG 19 2HD ARG 19 -8.844 0.027 6.642
121 HE ARG 19 HE ARG 19 -9.993 -1.414 4.495
122 HH11 ARG 19 1HH1 ARG 19 -10.516 1.373 6.515
123 HH12 ARG 19 2HH1 ARG 19 -12.241 1.320 6.366
124 HH21 ARG 19 1HH2 ARG 19 -12.263 -1.494 4.291
125 HH22 ARG 19 2HH2 ARG 19 -13.234 -0.312 5.102
126 H LYS 20 H LYS 20 -3.649 1.494 6.339
127 HA LYS 20 HA LYS 20 -3.508 4.176 7.528
128 HB2 LYS 20 1HB LYS 20 -2.748 2.025 8.759
129 HB3 LYS 20 2HB LYS 20 -1.340 2.102 7.708
130 HG2 LYS 20 1HG LYS 20 -0.849 4.354 8.560
131 HG3 LYS 20 2HG LYS 20 -2.233 4.225 9.649
132 HD2 LYS 20 1HD LYS 20 -1.094 2.073 10.491
133 HD3 LYS 20 2HD LYS 20 0.350 2.697 9.689
134 HE2 LYS 20 1HE LYS 20 0.504 4.522 11.112
135 HE3 LYS 20 2HE LYS 20 -1.195 4.431 11.575
136 HZ1 LYS 20 3HZ LYS 20 0.970 2.575 12.402
137 HZ2 LYS 20 1HZ LYS 20 -0.669 2.347 12.756
138 HZ3 LYS 20 2HZ LYS 20 0.154 3.683 13.386
139 H THR 21 H THR 21 -2.068 5.702 6.814
140 HA THR 21 HA THR 21 -1.035 5.300 4.126
141 HB THR 21 HB THR 21 -0.641 7.680 4.068
142 HG1 THR 21 HG1 THR 21 -1.216 8.905 6.028
143 HG21 THR 21 3HG2 THR 21 -3.249 6.641 5.004
144 HG22 THR 21 1HG2 THR 21 -2.841 7.516 3.528
145 HG23 THR 21 2HG2 THR 21 -3.040 8.391 5.046
146 H PHE 22 H PHE 22 1.155 6.374 3.663
147 HA PHE 22 HA PHE 22 3.085 6.110 5.819
148 HB2 PHE 22 1HB PHE 22 3.269 4.433 3.307
149 HB3 PHE 22 2HB PHE 22 4.511 4.550 4.549
150 HD1 PHE 22 HD1 PHE 22 1.042 3.442 3.905
151 HD2 PHE 22 HD2 PHE 22 4.428 3.214 6.475
152 HE1 PHE 22 HE1 PHE 22 -0.014 1.586 5.126
153 HE2 PHE 22 HE2 PHE 22 3.377 1.357 7.699
154 HZ PHE 22 HZ PHE 22 1.154 0.540 7.026
155 H ILE 23 H ILE 23 4.547 7.678 5.666
156 HA ILE 23 HA ILE 23 4.525 9.577 3.601
157 HB ILE 23 HB ILE 23 6.705 9.040 5.622
158 HG12 ILE 23 1HG1 ILE 23 4.521 9.507 6.652
159 HG13 ILE 23 2HG1 ILE 23 5.648 10.832 6.920
160 HG21 ILE 23 1HG2 ILE 23 7.018 10.536 3.431
161 HG22 ILE 23 2HG2 ILE 23 6.269 11.734 4.485
162 HG23 ILE 23 3HG2 ILE 23 7.763 10.938 4.979
163 HD11 ILE 23 3HD1 ILE 23 4.188 12.243 6.060
164 HD12 ILE 23 1HD1 ILE 23 4.220 11.365 4.532
165 HD13 ILE 23 2HD1 ILE 23 3.063 10.914 5.784
166 H GLN 24 H GLN 24 6.695 6.854 4.242
167 HA GLN 24 HA GLN 24 7.925 7.298 1.604
168 HB2 GLN 24 1HB GLN 24 9.017 5.906 4.052
169 HB3 GLN 24 2HB GLN 24 9.813 5.908 2.484
170 HG2 GLN 24 1HG GLN 24 10.101 8.288 2.570
171 HG3 GLN 24 2HG GLN 24 9.155 8.387 4.054
172 HE21 GLN 24 1HE2 GLN 24 12.215 7.683 2.655
173 HE22 GLN 24 2HE2 GLN 24 13.081 7.443 4.130
174 H ILE 25 H ILE 25 8.251 5.525 0.223
175 HA ILE 25 HA ILE 25 6.178 3.580 0.279
176 HB ILE 25 HB ILE 25 7.027 4.394 -1.842
177 HG12 ILE 25 1HG1 ILE 25 7.423 2.212 -2.971
178 HG13 ILE 25 2HG1 ILE 25 7.626 1.462 -1.391
179 HG21 ILE 25 1HG2 ILE 25 9.499 2.933 -1.987
180 HG22 ILE 25 2HG2 ILE 25 9.190 4.643 -2.281
181 HG23 ILE 25 3HG2 ILE 25 9.534 4.078 -0.646
182 HD11 ILE 25 3HD1 ILE 25 5.428 1.336 -1.047
183 HD12 ILE 25 1HD1 ILE 25 5.137 2.958 -1.675
184 HD13 ILE 25 2HD1 ILE 25 5.296 1.596 -2.786
185 H GLY 26 H GLY 26 9.462 3.637 1.394
186 HA2 GLY 26 1HA GLY 26 9.974 0.863 1.449
187 HA3 GLY 26 2HA GLY 26 10.764 2.070 2.452
188 H HIS 27 H HIS 27 8.768 3.034 4.001
189 HA HIS 27 HA HIS 27 8.525 1.131 6.019
190 HB2 HIS 27 1HB HIS 27 8.210 3.726 6.057
191 HB3 HIS 27 2HB HIS 27 6.519 3.344 5.747
192 HD2 HIS 27 HD2 HIS 27 5.902 1.021 7.816
193 HE1 HIS 27 HE1 HIS 27 7.739 3.479 10.745
194 HE2 HIS 27 HE2 HIS 27 6.294 1.457 10.335
195 H LEU 28 H LEU 28 6.463 1.815 3.290
196 HA LEU 28 HA LEU 28 4.289 0.185 4.285
197 HB2 LEU 28 1HB LEU 28 3.696 2.090 2.976
198 HB3 LEU 28 2HB LEU 28 4.771 1.596 1.670
199 HG LEU 28 HG LEU 28 3.291 -0.344 1.243
200 HD11 LEU 28 1HD1 LEU 28 1.923 0.764 3.618
201 HD12 LEU 28 2HD1 LEU 28 2.081 -0.905 3.071
202 HD13 LEU 28 3HD1 LEU 28 0.899 0.164 2.314
203 HD21 LEU 28 3HD2 LEU 28 2.928 2.322 0.554
204 HD22 LEU 28 1HD2 LEU 28 1.322 1.761 1.020
205 HD23 LEU 28 2HD2 LEU 28 2.219 0.917 -0.243
206 H ASN 29 H ASN 29 6.862 -0.051 1.881
207 HA ASN 29 HA ASN 29 6.161 -2.331 0.527
208 HB2 ASN 29 1HB ASN 29 8.759 -1.093 1.285
209 HB3 ASN 29 2HB ASN 29 8.800 -2.744 0.673
210 HD21 ASN 29 1HD2 ASN 29 9.646 -0.053 -0.405
211 HD22 ASN 29 2HD2 ASN 29 8.955 0.003 -1.987
212 H GLN 30 H GLN 30 7.510 -2.054 3.760
213 HA GLN 30 HA GLN 30 7.735 -4.934 4.046
214 HB2 GLN 30 1HB GLN 30 9.435 -3.456 5.046
215 HB3 GLN 30 2HB GLN 30 8.197 -2.731 6.064
216 HG2 GLN 30 1HG GLN 30 7.836 -4.846 7.184
217 HG3 GLN 30 2HG GLN 30 9.009 -5.628 6.125
218 HE21 GLN 30 1HE2 GLN 30 11.174 -5.343 6.484
219 HE22 GLN 30 2HE2 GLN 30 11.806 -4.572 7.895
220 H HIS 31 H HIS 31 5.848 -2.285 5.476
221 HA HIS 31 HA HIS 31 4.325 -3.752 7.268
222 HB2 HIS 31 1HB HIS 31 4.212 -1.372 7.345
223 HB3 HIS 31 2HB HIS 31 3.658 -1.276 5.677
224 HD1 HIS 31 HD1 HIS 31 2.464 -1.717 9.147
225 HD2 HIS 31 HD2 HIS 31 0.920 -1.987 5.299
226 HE1 HIS 31 HE1 HIS 31 -0.035 -1.750 9.426
227 H LYS 32 H LYS 32 3.422 -2.842 3.938
228 HA LYS 32 HA LYS 32 1.017 -4.014 3.638
229 HB2 LYS 32 1HB LYS 32 1.496 -4.322 1.298
230 HB3 LYS 32 2HB LYS 32 2.290 -2.850 1.843
231 HG2 LYS 32 1HG LYS 32 4.357 -4.372 2.165
232 HG3 LYS 32 2HG LYS 32 3.495 -5.478 1.093
233 HD2 LYS 32 1HD LYS 32 4.095 -2.594 0.444
234 HD3 LYS 32 2HD LYS 32 5.080 -3.960 -0.083
235 HE2 LYS 32 1HE LYS 32 2.982 -4.897 -1.139
236 HE3 LYS 32 2HE LYS 32 2.229 -3.336 -0.818
237 HZ1 LYS 32 3HZ LYS 32 4.795 -3.280 -2.190
238 HZ2 LYS 32 1HZ LYS 32 3.417 -2.329 -2.431
239 HZ3 LYS 32 2HZ LYS 32 3.489 -3.891 -3.075
240 H ARG 33 H ARG 33 4.118 -5.709 3.650
241 HA ARG 33 HA ARG 33 3.089 -8.265 3.015
242 HB2 ARG 33 1HB ARG 33 5.616 -7.400 4.422
243 HB3 ARG 33 2HB ARG 33 5.259 -9.077 4.033
244 HG2 ARG 33 1HG ARG 33 5.449 -8.720 1.746
245 HG3 ARG 33 2HG ARG 33 5.236 -6.975 1.905
246 HD2 ARG 33 1HD ARG 33 7.545 -7.453 1.409
247 HD3 ARG 33 2HD ARG 33 7.417 -6.853 3.062
248 HE ARG 33 HE ARG 33 8.262 -8.842 3.783
249 HH11 ARG 33 1HH1 ARG 33 6.957 -9.288 0.587
250 HH12 ARG 33 2HH1 ARG 33 7.508 -10.924 0.448
251 HH21 ARG 33 1HH2 ARG 33 8.993 -10.996 3.613
252 HH22 ARG 33 2HH2 ARG 33 8.665 -11.896 2.170
253 H VAL 34 H VAL 34 3.796 -6.667 6.100
254 HA VAL 34 HA VAL 34 3.427 -8.661 7.910
255 HB VAL 34 HB VAL 34 2.431 -5.818 8.066
256 HG11 VAL 34 1HG1 VAL 34 1.134 -7.170 9.610
257 HG12 VAL 34 2HG1 VAL 34 2.614 -7.871 10.269
258 HG13 VAL 34 3HG1 VAL 34 2.273 -6.155 10.495
259 HG21 VAL 34 3HG2 VAL 34 4.439 -5.776 9.710
260 HG22 VAL 34 1HG2 VAL 34 4.941 -7.238 8.860
261 HG23 VAL 34 2HG2 VAL 34 4.744 -5.726 7.973
262 H HIS 35 H HIS 35 1.019 -7.245 5.852
263 HA HIS 35 HA HIS 35 -1.204 -8.385 7.317
264 HB2 HIS 35 1HB HIS 35 -0.962 -6.785 4.780
265 HB3 HIS 35 2HB HIS 35 -2.482 -7.552 5.232
266 HD1 HIS 35 HD1 HIS 35 -3.104 -6.890 7.934
267 HD2 HIS 35 HD2 HIS 35 -0.890 -4.234 5.632
268 HE1 HIS 35 HE1 HIS 35 -3.358 -4.654 9.057
269 H THR 36 H THR 36 0.463 -10.415 6.746
270 HA THR 36 HA THR 36 0.042 -11.712 4.276
271 HB THR 36 HB THR 36 0.782 -12.912 6.951
272 HG1 THR 36 HG1 THR 36 2.664 -12.061 6.533
273 HG21 THR 36 3HG2 THR 36 1.794 -14.309 4.650
274 HG22 THR 36 1HG2 THR 36 0.036 -14.206 4.573
275 HG23 THR 36 2HG2 THR 36 0.816 -14.920 5.984
276 H GLY 37 H GLY 37 -1.273 -12.599 7.480
277 HA2 GLY 37 1HA GLY 37 -3.800 -13.314 6.166
278 HA3 GLY 37 2HA GLY 37 -2.976 -14.534 7.125
279 H GLU 38 H GLU 38 -3.689 -14.737 9.132
280 HA GLU 38 HA GLU 38 -4.856 -14.323 11.050
281 HB2 GLU 38 1HB GLU 38 -3.279 -11.771 10.722
282 HB3 GLU 38 2HB GLU 38 -4.211 -12.141 12.166
283 HG2 GLU 38 1HG GLU 38 -2.100 -12.824 12.761
284 HG3 GLU 38 2HG GLU 38 -2.829 -14.328 12.202
285 H ARG 39 H ARG 39 -6.505 -14.031 8.925
286 HA ARG 39 HA ARG 39 -7.998 -11.546 9.423
287 HB2 ARG 39 1HB ARG 39 -9.079 -11.916 7.281
288 HB3 ARG 39 2HB ARG 39 -7.333 -11.967 7.083
289 HG2 ARG 39 1HG ARG 39 -7.310 -14.252 6.710
290 HG3 ARG 39 2HG ARG 39 -8.882 -14.492 7.476
291 HD2 ARG 39 1HD ARG 39 -9.927 -13.248 5.602
292 HD3 ARG 39 2HD ARG 39 -8.347 -13.158 4.825
293 HE ARG 39 HE ARG 39 -8.687 -15.811 5.246
294 HH11 ARG 39 1HH1 ARG 39 -10.634 -13.350 3.739
295 HH12 ARG 39 2HH1 ARG 39 -11.378 -14.441 2.618
296 HH21 ARG 39 1HH2 ARG 39 -9.659 -17.257 3.775
297 HH22 ARG 39 2HH2 ARG 39 -10.823 -16.664 2.640
298 H SER 40 H SER 40 -10.289 -11.639 9.666
299 HA SER 40 HA SER 40 -12.215 -12.424 10.588
300 HB2 SER 40 1HB SER 40 -11.227 -14.997 9.341
301 HB3 SER 40 2HB SER 40 -12.819 -14.814 10.079
302 HG SER 40 HG SER 40 -12.326 -14.360 7.638
303 H SER 41 H SER 41 -10.088 -12.144 12.325
304 HA SER 41 HA SER 41 -10.423 -14.440 14.143
305 HB2 SER 41 1HB SER 41 -8.241 -13.670 15.160
306 HB3 SER 41 2HB SER 41 -8.114 -14.296 13.517
307 HG SER 41 HG SER 41 -7.301 -12.445 12.991
308 H GLY 42 H GLY 42 -12.376 -12.502 14.101
309 HA2 GLY 42 1HA GLY 42 -11.793 -10.819 16.449
310 HA3 GLY 42 2HA GLY 42 -13.061 -10.506 15.273
311 HA PRO 43 HA PRO 43 -16.018 -12.504 17.808
312 HB2 PRO 43 1HB PRO 43 -17.598 -13.763 15.994
313 HB3 PRO 43 2HB PRO 43 -17.591 -12.008 16.208
314 HG2 PRO 43 1HG PRO 43 -16.202 -13.671 14.141
315 HG3 PRO 43 2HG PRO 43 -17.081 -12.143 13.943
316 HD2 PRO 43 1HD PRO 43 -14.378 -12.265 14.060
317 HD3 PRO 43 2HD PRO 43 -15.299 -10.878 14.676
318 H SER 44 H SER 44 -16.585 -14.460 18.771
319 HA SER 44 HA SER 44 -16.067 -16.538 19.577
320 HB2 SER 44 1HB SER 44 -16.313 -17.157 16.623
321 HB3 SER 44 2HB SER 44 -16.376 -18.352 17.918
322 HG SER 44 HG SER 44 -18.270 -17.453 18.643
323 H SER 45 H SER 45 -13.782 -15.000 19.286
324 HA SER 45 HA SER 45 -11.793 -17.084 18.940
325 HB2 SER 45 1HB SER 45 -11.621 -14.492 17.383
326 HB3 SER 45 2HB SER 45 -10.376 -15.739 17.448
327 HG SER 45 HG SER 45 -11.972 -17.179 16.539
328 H GLY 46 H GLY 46 -9.577 -16.255 19.596
329 HA2 GLY 46 1HA GLY 46 -9.924 -14.373 21.844
330 HA3 GLY 46 2HA GLY 46 -8.775 -15.702 21.828
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -28.401 16.318 7.166
2 HA2 GLY 1 1HA GLY 1 -27.104 16.083 9.659
3 HA3 GLY 1 2HA GLY 1 -27.574 14.482 9.108
4 H SER 2 H SER 2 -25.507 17.225 8.547
5 HA SER 2 HA SER 2 -24.340 16.320 6.126
6 HB2 SER 2 1HB SER 2 -23.699 18.394 8.165
7 HB3 SER 2 2HB SER 2 -22.397 17.883 7.091
8 HG SER 2 HG SER 2 -24.180 19.645 6.537
9 H SER 3 H SER 3 -22.259 15.415 5.786
10 HA SER 3 HA SER 3 -21.664 13.174 7.313
11 HB2 SER 3 1HB SER 3 -19.954 14.752 5.385
12 HB3 SER 3 2HB SER 3 -19.439 13.222 6.096
13 HG SER 3 HG SER 3 -21.187 13.693 4.061
14 H GLY 4 H GLY 4 -19.708 16.159 7.128
15 HA2 GLY 4 1HA GLY 4 -19.171 17.189 9.345
16 HA3 GLY 4 2HA GLY 4 -18.766 15.559 9.866
17 H SER 5 H SER 5 -16.931 17.549 10.167
18 HA SER 5 HA SER 5 -15.158 17.916 8.019
19 HB2 SER 5 1HB SER 5 -15.056 19.358 9.965
20 HB3 SER 5 2HB SER 5 -14.655 17.990 11.003
21 HG SER 5 HG SER 5 -13.000 19.548 9.643
22 H SER 6 H SER 6 -13.352 16.833 7.345
23 HA SER 6 HA SER 6 -12.872 14.198 8.577
24 HB2 SER 6 1HB SER 6 -12.180 13.456 6.264
25 HB3 SER 6 2HB SER 6 -13.896 13.819 6.441
26 HG SER 6 HG SER 6 -13.658 15.254 4.942
27 H GLY 7 H GLY 7 -11.351 16.667 6.498
28 HA2 GLY 7 1HA GLY 7 -9.278 17.663 7.503
29 HA3 GLY 7 2HA GLY 7 -8.779 16.003 7.793
30 H SER 8 H SER 8 -8.841 18.589 5.574
31 HA SER 8 HA SER 8 -8.398 17.100 3.185
32 HB2 SER 8 1HB SER 8 -8.076 19.990 3.950
33 HB3 SER 8 2HB SER 8 -7.500 19.405 2.390
34 HG SER 8 HG SER 8 -9.488 19.651 1.775
35 H GLY 9 H GLY 9 -6.337 17.501 1.872
36 HA2 GLY 9 1HA GLY 9 -3.881 18.109 2.417
37 HA3 GLY 9 2HA GLY 9 -4.062 16.835 3.614
38 H LYS 10 H LYS 10 -2.161 16.860 1.498
39 HA LYS 10 HA LYS 10 -3.158 14.913 -0.434
40 HB2 LYS 10 1HB LYS 10 -0.699 16.608 -0.222
41 HB3 LYS 10 2HB LYS 10 -0.669 15.172 -1.236
42 HG2 LYS 10 1HG LYS 10 -2.877 16.203 -2.212
43 HG3 LYS 10 2HG LYS 10 -2.197 17.701 -1.570
44 HD2 LYS 10 1HD LYS 10 -1.367 17.652 -3.736
45 HD3 LYS 10 2HD LYS 10 -0.039 16.960 -2.800
46 HE2 LYS 10 1HE LYS 10 -0.168 15.427 -4.488
47 HE3 LYS 10 2HE LYS 10 -1.295 14.704 -3.341
48 HZ1 LYS 10 3HZ LYS 10 -2.936 14.921 -4.793
49 HZ2 LYS 10 1HZ LYS 10 -1.812 15.426 -5.952
50 HZ3 LYS 10 2HZ LYS 10 -2.626 16.570 -5.009
51 H LYS 11 H LYS 11 -3.416 13.086 0.869
52 HA LYS 11 HA LYS 11 -1.344 12.077 2.544
53 HB2 LYS 11 1HB LYS 11 -3.730 10.634 1.375
54 HB3 LYS 11 2HB LYS 11 -2.735 10.068 2.710
55 HG2 LYS 11 1HG LYS 11 -3.468 11.902 4.092
56 HG3 LYS 11 2HG LYS 11 -4.372 12.595 2.744
57 HD2 LYS 11 1HD LYS 11 -5.511 10.212 2.742
58 HD3 LYS 11 2HD LYS 11 -4.983 10.216 4.426
59 HE2 LYS 11 1HE LYS 11 -6.195 12.253 4.850
60 HE3 LYS 11 2HE LYS 11 -6.612 12.405 3.144
61 HZ1 LYS 11 3HZ LYS 11 -7.837 10.280 3.362
62 HZ2 LYS 11 1HZ LYS 11 -8.479 11.527 4.308
63 HZ3 LYS 11 2HZ LYS 11 -7.548 10.313 5.028
64 HA PRO 12 HA PRO 12 1.217 10.059 -0.411
65 HB2 PRO 12 1HB PRO 12 2.328 8.168 1.189
66 HB3 PRO 12 2HB PRO 12 2.767 9.878 1.276
67 HG2 PRO 12 1HG PRO 12 0.892 8.314 3.008
68 HG3 PRO 12 2HG PRO 12 2.108 9.517 3.476
69 HD2 PRO 12 1HD PRO 12 -0.529 10.104 3.297
70 HD3 PRO 12 2HD PRO 12 0.740 11.292 2.939
71 H TYR 13 H TYR 13 0.769 7.233 1.548
72 HA TYR 13 HA TYR 13 -0.697 5.965 -0.669
73 HB2 TYR 13 1HB TYR 13 1.109 4.695 1.400
74 HB3 TYR 13 2HB TYR 13 0.267 3.836 0.115
75 HD1 TYR 13 HD2 TYR 13 2.950 6.265 0.836
76 HD2 TYR 13 HD1 TYR 13 1.119 3.802 -2.111
77 HE1 TYR 13 HE2 TYR 13 4.860 6.651 -0.665
78 HE2 TYR 13 HE1 TYR 13 3.025 4.180 -3.619
79 HH TYR 13 HH TYR 13 4.804 5.935 -3.934
80 H GLU 14 H GLU 14 -1.832 3.848 0.253
81 HA GLU 14 HA GLU 14 -3.071 4.257 2.836
82 HB2 GLU 14 1HB GLU 14 -4.416 5.688 1.335
83 HB3 GLU 14 2HB GLU 14 -4.748 4.291 0.321
84 HG2 GLU 14 1HG GLU 14 -6.103 3.291 1.930
85 HG3 GLU 14 2HG GLU 14 -5.468 4.304 3.226
86 H CYS 15 H CYS 15 -3.153 2.324 3.748
87 HA CYS 15 HA CYS 15 -2.714 -0.081 2.331
88 HB2 CYS 15 1HB CYS 15 -2.372 0.566 4.877
89 HB3 CYS 15 2HB CYS 15 -3.986 -0.120 5.032
90 H LYS 16 H LYS 16 -4.324 -2.011 2.977
91 HA LYS 16 HA LYS 16 -6.985 -1.179 2.019
92 HB2 LYS 16 1HB LYS 16 -5.746 -2.540 0.389
93 HB3 LYS 16 2HB LYS 16 -5.560 -3.813 1.588
94 HG2 LYS 16 1HG LYS 16 -8.093 -3.900 1.676
95 HG3 LYS 16 2HG LYS 16 -8.072 -2.892 0.227
96 HD2 LYS 16 1HD LYS 16 -6.413 -4.729 -0.645
97 HD3 LYS 16 2HD LYS 16 -7.189 -5.720 0.593
98 HE2 LYS 16 1HE LYS 16 -9.233 -5.671 -0.461
99 HE3 LYS 16 2HE LYS 16 -8.892 -4.151 -1.286
100 HZ1 LYS 16 3HZ LYS 16 -7.303 -5.359 -2.695
101 HZ2 LYS 16 1HZ LYS 16 -8.881 -5.948 -2.857
102 HZ3 LYS 16 2HZ LYS 16 -7.746 -6.810 -1.946
103 H GLU 17 H GLU 17 -5.195 -3.004 4.374
104 HA GLU 17 HA GLU 17 -7.632 -4.132 5.519
105 HB2 GLU 17 1HB GLU 17 -5.868 -5.704 5.453
106 HB3 GLU 17 2HB GLU 17 -4.700 -4.542 6.065
107 HG2 GLU 17 1HG GLU 17 -5.720 -4.592 8.244
108 HG3 GLU 17 2HG GLU 17 -7.006 -5.644 7.653
109 H CYS 18 H CYS 18 -4.787 -2.411 6.818
110 HA CYS 18 HA CYS 18 -6.326 -1.473 9.077
111 HB2 CYS 18 1HB CYS 18 -4.226 -0.476 9.833
112 HB3 CYS 18 2HB CYS 18 -3.976 -2.152 9.357
113 H ARG 19 H ARG 19 -5.859 -0.439 5.935
114 HA ARG 19 HA ARG 19 -6.142 1.536 4.825
115 HB2 ARG 19 1HB ARG 19 -8.003 2.178 7.115
116 HB3 ARG 19 2HB ARG 19 -8.081 2.801 5.472
117 HG2 ARG 19 1HG ARG 19 -8.322 -0.132 6.012
118 HG3 ARG 19 2HG ARG 19 -9.712 0.944 6.173
119 HD2 ARG 19 1HD ARG 19 -8.047 1.001 3.690
120 HD3 ARG 19 2HD ARG 19 -9.259 -0.260 3.911
121 HE ARG 19 HE ARG 19 -9.731 2.548 3.412
122 HH11 ARG 19 1HH1 ARG 19 -11.058 -0.470 4.530
123 HH12 ARG 19 2HH1 ARG 19 -12.701 -0.007 4.235
124 HH21 ARG 19 1HH2 ARG 19 -11.890 3.170 3.020
125 HH22 ARG 19 2HH2 ARG 19 -13.173 2.063 3.375
126 H LYS 20 H LYS 20 -3.845 1.624 6.268
127 HA LYS 20 HA LYS 20 -3.844 4.284 7.529
128 HB2 LYS 20 1HB LYS 20 -1.967 1.939 7.819
129 HB3 LYS 20 2HB LYS 20 -1.600 3.541 8.445
130 HG2 LYS 20 1HG LYS 20 -3.473 3.456 9.934
131 HG3 LYS 20 2HG LYS 20 -4.034 1.946 9.214
132 HD2 LYS 20 1HD LYS 20 -1.964 0.844 9.972
133 HD3 LYS 20 2HD LYS 20 -1.459 2.352 10.737
134 HE2 LYS 20 1HE LYS 20 -3.067 2.206 12.386
135 HE3 LYS 20 2HE LYS 20 -4.118 1.175 11.416
136 HZ1 LYS 20 3HZ LYS 20 -1.499 0.261 12.455
137 HZ2 LYS 20 1HZ LYS 20 -2.750 -0.681 11.814
138 HZ3 LYS 20 2HZ LYS 20 -2.941 0.067 13.318
139 H THR 21 H THR 21 -2.154 5.757 7.016
140 HA THR 21 HA THR 21 -1.240 5.490 4.253
141 HB THR 21 HB THR 21 -0.736 7.876 4.353
142 HG1 THR 21 HG1 THR 21 -0.942 9.023 6.224
143 HG21 THR 21 3HG2 THR 21 -3.301 6.722 4.579
144 HG22 THR 21 1HG2 THR 21 -2.870 8.267 3.847
145 HG23 THR 21 2HG2 THR 21 -3.319 8.193 5.551
146 H PHE 22 H PHE 22 0.964 6.387 3.752
147 HA PHE 22 HA PHE 22 2.916 5.983 5.889
148 HB2 PHE 22 1HB PHE 22 2.987 4.511 3.246
149 HB3 PHE 22 2HB PHE 22 4.295 4.527 4.425
150 HD1 PHE 22 HD1 PHE 22 0.677 3.696 4.132
151 HD2 PHE 22 HD2 PHE 22 4.404 2.856 6.007
152 HE1 PHE 22 HE1 PHE 22 -0.335 1.764 5.272
153 HE2 PHE 22 HE2 PHE 22 3.398 0.923 7.149
154 HZ PHE 22 HZ PHE 22 1.026 0.374 6.781
155 H ILE 23 H ILE 23 4.227 7.673 5.897
156 HA ILE 23 HA ILE 23 4.283 9.677 3.971
157 HB ILE 23 HB ILE 23 6.487 8.999 5.922
158 HG12 ILE 23 1HG1 ILE 23 4.438 11.120 6.406
159 HG13 ILE 23 2HG1 ILE 23 3.993 9.441 6.696
160 HG21 ILE 23 1HG2 ILE 23 6.672 10.739 3.889
161 HG22 ILE 23 2HG2 ILE 23 5.942 11.783 5.107
162 HG23 ILE 23 3HG2 ILE 23 7.473 10.975 5.442
163 HD11 ILE 23 3HD1 ILE 23 6.295 10.905 7.967
164 HD12 ILE 23 1HD1 ILE 23 4.754 10.517 8.732
165 HD13 ILE 23 2HD1 ILE 23 5.855 9.222 8.258
166 H GLN 24 H GLN 24 6.335 6.836 4.348
167 HA GLN 24 HA GLN 24 7.609 7.496 1.775
168 HB2 GLN 24 1HB GLN 24 8.691 6.271 4.273
169 HB3 GLN 24 2HB GLN 24 9.369 5.768 2.731
170 HG2 GLN 24 1HG GLN 24 10.188 7.894 2.257
171 HG3 GLN 24 2HG GLN 24 9.134 8.665 3.442
172 HE21 GLN 24 1HE2 GLN 24 12.110 8.611 3.011
173 HE22 GLN 24 2HE2 GLN 24 12.760 8.193 4.556
174 H ILE 25 H ILE 25 8.125 5.701 0.377
175 HA ILE 25 HA ILE 25 5.989 3.799 0.246
176 HB ILE 25 HB ILE 25 6.943 4.756 -1.795
177 HG12 ILE 25 1HG1 ILE 25 7.493 2.459 -2.924
178 HG13 ILE 25 2HG1 ILE 25 7.059 1.791 -1.354
179 HG21 ILE 25 1HG2 ILE 25 9.369 3.077 -1.668
180 HG22 ILE 25 2HG2 ILE 25 9.124 4.667 -2.388
181 HG23 ILE 25 3HG2 ILE 25 9.350 4.514 -0.646
182 HD11 ILE 25 3HD1 ILE 25 4.881 3.041 -1.568
183 HD12 ILE 25 1HD1 ILE 25 5.330 3.350 -3.244
184 HD13 ILE 25 2HD1 ILE 25 5.121 1.693 -2.679
185 H GLY 26 H GLY 26 9.418 3.682 1.073
186 HA2 GLY 26 1HA GLY 26 9.841 0.946 1.120
187 HA3 GLY 26 2HA GLY 26 10.642 2.090 2.186
188 H HIS 27 H HIS 27 8.866 2.952 3.905
189 HA HIS 27 HA HIS 27 8.552 0.977 5.781
190 HB2 HIS 27 1HB HIS 27 7.179 3.598 5.339
191 HB3 HIS 27 2HB HIS 27 6.591 2.528 6.608
192 HD2 HIS 27 HD2 HIS 27 9.816 1.630 7.410
193 HE1 HIS 27 HE1 HIS 27 9.918 5.691 8.632
194 HE2 HIS 27 HE2 HIS 27 11.076 3.457 8.738
195 H LEU 28 H LEU 28 6.327 1.901 3.215
196 HA LEU 28 HA LEU 28 4.197 0.215 4.106
197 HB2 LEU 28 1HB LEU 28 3.773 2.179 2.737
198 HB3 LEU 28 2HB LEU 28 4.721 1.486 1.423
199 HG LEU 28 HG LEU 28 3.040 -0.314 1.208
200 HD11 LEU 28 1HD1 LEU 28 0.986 -0.266 2.382
201 HD12 LEU 28 2HD1 LEU 28 1.348 1.305 3.095
202 HD13 LEU 28 3HD1 LEU 28 2.259 -0.120 3.594
203 HD21 LEU 28 3HD2 LEU 28 1.363 1.026 0.117
204 HD22 LEU 28 1HD2 LEU 28 2.946 1.755 -0.151
205 HD23 LEU 28 2HD2 LEU 28 1.846 2.450 1.039
206 H ASN 29 H ASN 29 6.669 -0.038 1.569
207 HA ASN 29 HA ASN 29 6.007 -2.314 0.276
208 HB2 ASN 29 1HB ASN 29 8.623 -1.165 1.115
209 HB3 ASN 29 2HB ASN 29 8.623 -2.807 0.477
210 HD21 ASN 29 1HD2 ASN 29 8.589 0.477 -0.264
211 HD22 ASN 29 2HD2 ASN 29 8.325 0.346 -1.967
212 H GLN 30 H GLN 30 7.865 -2.259 3.319
213 HA GLN 30 HA GLN 30 7.753 -5.090 3.647
214 HB2 GLN 30 1HB GLN 30 9.448 -3.378 4.622
215 HB3 GLN 30 2HB GLN 30 8.258 -3.172 5.900
216 HG2 GLN 30 1HG GLN 30 8.359 -5.709 6.160
217 HG3 GLN 30 2HG GLN 30 9.819 -5.624 5.177
218 HE21 GLN 30 1HE2 GLN 30 8.335 -4.222 8.068
219 HE22 GLN 30 2HE2 GLN 30 9.807 -4.058 8.958
220 H HIS 31 H HIS 31 6.000 -2.366 5.088
221 HA HIS 31 HA HIS 31 4.521 -3.576 7.025
222 HB2 HIS 31 1HB HIS 31 4.306 -1.213 6.626
223 HB3 HIS 31 2HB HIS 31 3.627 -1.493 5.025
224 HD1 HIS 31 HD1 HIS 31 2.741 -1.577 8.661
225 HD2 HIS 31 HD2 HIS 31 0.906 -2.110 4.972
226 HE1 HIS 31 HE1 HIS 31 0.272 -1.611 9.137
227 H LYS 32 H LYS 32 3.583 -3.384 3.591
228 HA LYS 32 HA LYS 32 1.222 -4.736 3.607
229 HB2 LYS 32 1HB LYS 32 3.475 -4.785 1.611
230 HB3 LYS 32 2HB LYS 32 1.973 -5.654 1.323
231 HG2 LYS 32 1HG LYS 32 0.760 -3.747 1.023
232 HG3 LYS 32 2HG LYS 32 1.808 -2.783 2.067
233 HD2 LYS 32 1HD LYS 32 2.424 -1.949 0.030
234 HD3 LYS 32 2HD LYS 32 3.569 -3.286 0.157
235 HE2 LYS 32 1HE LYS 32 2.361 -4.616 -1.330
236 HE3 LYS 32 2HE LYS 32 0.889 -3.666 -1.131
237 HZ1 LYS 32 3HZ LYS 32 2.657 -3.427 -3.172
238 HZ2 LYS 32 1HZ LYS 32 3.090 -2.139 -2.163
239 HZ3 LYS 32 2HZ LYS 32 1.504 -2.269 -2.735
240 H ARG 33 H ARG 33 4.422 -6.074 4.034
241 HA ARG 33 HA ARG 33 3.717 -8.800 3.676
242 HB2 ARG 33 1HB ARG 33 5.983 -7.761 5.376
243 HB3 ARG 33 2HB ARG 33 5.873 -9.316 4.561
244 HG2 ARG 33 1HG ARG 33 5.765 -6.852 2.906
245 HG3 ARG 33 2HG ARG 33 7.317 -7.344 3.589
246 HD2 ARG 33 1HD ARG 33 5.515 -9.065 1.888
247 HD3 ARG 33 2HD ARG 33 6.976 -8.248 1.334
248 HE ARG 33 HE ARG 33 7.397 -10.009 3.570
249 HH11 ARG 33 1HH1 ARG 33 7.232 -9.759 0.101
250 HH12 ARG 33 2HH1 ARG 33 8.213 -11.159 -0.177
251 HH21 ARG 33 1HH2 ARG 33 8.690 -11.855 3.217
252 HH22 ARG 33 2HH2 ARG 33 9.042 -12.351 1.596
253 H VAL 34 H VAL 34 3.938 -6.697 6.513
254 HA VAL 34 HA VAL 34 3.613 -8.504 8.555
255 HB VAL 34 HB VAL 34 2.323 -5.778 8.368
256 HG11 VAL 34 1HG1 VAL 34 2.414 -5.844 10.842
257 HG12 VAL 34 2HG1 VAL 34 1.333 -7.058 10.155
258 HG13 VAL 34 3HG1 VAL 34 2.927 -7.528 10.748
259 HG21 VAL 34 3HG2 VAL 34 4.815 -6.244 9.900
260 HG22 VAL 34 1HG2 VAL 34 4.943 -6.224 8.142
261 HG23 VAL 34 2HG2 VAL 34 4.289 -4.826 8.994
262 H HIS 35 H HIS 35 1.199 -7.289 6.319
263 HA HIS 35 HA HIS 35 -1.009 -8.484 7.736
264 HB2 HIS 35 1HB HIS 35 -0.748 -7.092 5.077
265 HB3 HIS 35 2HB HIS 35 -2.253 -7.856 5.581
266 HD1 HIS 35 HD1 HIS 35 -2.268 -6.967 8.544
267 HD2 HIS 35 HD2 HIS 35 -1.424 -4.463 5.338
268 HE1 HIS 35 HE1 HIS 35 -2.769 -4.641 9.358
269 H THR 36 H THR 36 0.588 -10.526 7.526
270 HA THR 36 HA THR 36 1.030 -12.576 6.585
271 HB THR 36 HB THR 36 -1.047 -13.834 5.982
272 HG1 THR 36 HG1 THR 36 -2.503 -11.540 6.761
273 HG21 THR 36 3HG2 THR 36 -1.600 -14.124 8.168
274 HG22 THR 36 1HG2 THR 36 -1.759 -12.395 8.471
275 HG23 THR 36 2HG2 THR 36 -0.160 -13.136 8.413
276 H GLY 37 H GLY 37 1.435 -10.380 4.746
277 HA2 GLY 37 1HA GLY 37 0.424 -10.434 2.263
278 HA3 GLY 37 2HA GLY 37 2.156 -10.325 2.539
279 H GLU 38 H GLU 38 3.317 -12.422 2.786
280 HA GLU 38 HA GLU 38 2.272 -14.317 0.810
281 HB2 GLU 38 1HB GLU 38 4.604 -13.216 0.663
282 HB3 GLU 38 2HB GLU 38 5.060 -14.339 1.936
283 HG2 GLU 38 1HG GLU 38 3.757 -15.365 -0.542
284 HG3 GLU 38 2HG GLU 38 5.469 -14.947 -0.555
285 H ARG 39 H ARG 39 2.226 -16.548 1.192
286 HA ARG 39 HA ARG 39 1.406 -17.338 3.756
287 HB2 ARG 39 1HB ARG 39 2.306 -18.983 1.387
288 HB3 ARG 39 2HB ARG 39 1.581 -19.665 2.837
289 HG2 ARG 39 1HG ARG 39 0.249 -17.648 1.042
290 HG3 ARG 39 2HG ARG 39 -0.013 -19.392 0.974
291 HD2 ARG 39 1HD ARG 39 -0.512 -19.053 3.548
292 HD3 ARG 39 2HD ARG 39 -0.880 -17.412 3.016
293 HE ARG 39 HE ARG 39 -2.179 -19.335 1.380
294 HH11 ARG 39 1HH1 ARG 39 -2.337 -17.792 4.496
295 HH12 ARG 39 2HH1 ARG 39 -4.051 -17.991 4.653
296 HH21 ARG 39 1HH2 ARG 39 -4.435 -19.604 1.575
297 HH22 ARG 39 2HH2 ARG 39 -5.244 -19.023 2.991
298 H SER 40 H SER 40 2.475 -19.472 4.707
299 HA SER 40 HA SER 40 4.180 -20.348 5.933
300 HB2 SER 40 1HB SER 40 5.584 -19.340 3.497
301 HB3 SER 40 2HB SER 40 6.561 -19.849 4.873
302 HG SER 40 HG SER 40 4.831 -21.358 3.257
303 H SER 41 H SER 41 3.156 -17.892 6.758
304 HA SER 41 HA SER 41 5.550 -16.530 7.806
305 HB2 SER 41 1HB SER 41 4.297 -14.489 7.924
306 HB3 SER 41 2HB SER 41 4.036 -15.163 6.315
307 HG SER 41 HG SER 41 2.142 -14.388 7.654
308 H GLY 42 H GLY 42 5.647 -16.027 9.991
309 HA2 GLY 42 1HA GLY 42 4.300 -17.824 11.736
310 HA3 GLY 42 2HA GLY 42 5.356 -16.506 12.222
311 HA PRO 43 HA PRO 43 0.649 -15.597 12.748
312 HB2 PRO 43 1HB PRO 43 0.167 -16.640 15.207
313 HB3 PRO 43 2HB PRO 43 -0.096 -17.545 13.712
314 HG2 PRO 43 1HG PRO 43 2.220 -17.648 15.606
315 HG3 PRO 43 2HG PRO 43 1.372 -18.982 14.802
316 HD2 PRO 43 1HD PRO 43 3.743 -18.018 13.916
317 HD3 PRO 43 2HD PRO 43 2.511 -18.678 12.821
318 H SER 44 H SER 44 1.138 -13.457 13.015
319 HA SER 44 HA SER 44 1.206 -12.399 15.631
320 HB2 SER 44 1HB SER 44 3.564 -13.149 15.521
321 HB3 SER 44 2HB SER 44 3.801 -12.145 14.090
322 HG SER 44 HG SER 44 4.304 -10.673 15.506
323 H SER 45 H SER 45 1.323 -10.026 15.639
324 HA SER 45 HA SER 45 0.480 -8.048 14.875
325 HB2 SER 45 1HB SER 45 2.102 -8.822 12.438
326 HB3 SER 45 2HB SER 45 1.514 -7.200 12.802
327 HG SER 45 HG SER 45 3.711 -8.470 13.726
328 H GLY 46 H GLY 46 -1.325 -10.138 14.602
329 HA2 GLY 46 1HA GLY 46 -2.659 -9.449 12.055
330 HA3 GLY 46 2HA GLY 46 -2.743 -11.051 12.773
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -29.940 15.528 1.988
2 HA2 GLY 1 1HA GLY 1 -27.870 15.014 1.108
3 HA3 GLY 1 2HA GLY 1 -27.484 16.649 1.626
4 H SER 2 H SER 2 -25.305 15.867 1.917
5 HA SER 2 HA SER 2 -24.957 14.665 4.568
6 HB2 SER 2 1HB SER 2 -23.471 13.788 2.079
7 HB3 SER 2 2HB SER 2 -23.106 13.256 3.721
8 HG SER 2 HG SER 2 -25.256 12.403 3.798
9 H SER 3 H SER 3 -22.744 14.989 5.424
10 HA SER 3 HA SER 3 -21.914 17.703 4.953
11 HB2 SER 3 1HB SER 3 -21.976 16.780 7.233
12 HB3 SER 3 2HB SER 3 -20.747 15.596 6.789
13 HG SER 3 HG SER 3 -19.618 17.753 6.120
14 H GLY 4 H GLY 4 -20.466 14.487 4.544
15 HA2 GLY 4 1HA GLY 4 -19.194 14.305 2.377
16 HA3 GLY 4 2HA GLY 4 -18.352 15.751 2.913
17 H SER 5 H SER 5 -16.877 13.584 2.250
18 HA SER 5 HA SER 5 -16.257 12.104 4.678
19 HB2 SER 5 1HB SER 5 -14.977 11.937 1.939
20 HB3 SER 5 2HB SER 5 -14.733 10.811 3.274
21 HG SER 5 HG SER 5 -17.067 10.447 3.141
22 H SER 6 H SER 6 -14.409 12.309 5.864
23 HA SER 6 HA SER 6 -13.165 14.767 6.083
24 HB2 SER 6 1HB SER 6 -11.542 13.679 7.525
25 HB3 SER 6 2HB SER 6 -13.136 12.986 7.823
26 HG SER 6 HG SER 6 -11.550 11.752 5.897
27 H GLY 7 H GLY 7 -10.898 15.352 5.713
28 HA2 GLY 7 1HA GLY 7 -8.823 14.681 4.494
29 HA3 GLY 7 2HA GLY 7 -9.893 14.170 3.196
30 H SER 8 H SER 8 -8.265 16.812 4.685
31 HA SER 8 HA SER 8 -9.294 18.600 2.581
32 HB2 SER 8 1HB SER 8 -9.107 20.476 4.100
33 HB3 SER 8 2HB SER 8 -10.084 19.226 4.869
34 HG SER 8 HG SER 8 -8.669 19.167 6.407
35 H GLY 9 H GLY 9 -7.061 16.917 2.255
36 HA2 GLY 9 1HA GLY 9 -5.103 18.852 1.475
37 HA3 GLY 9 2HA GLY 9 -4.568 17.908 2.858
38 H LYS 10 H LYS 10 -3.012 16.652 2.003
39 HA LYS 10 HA LYS 10 -3.842 14.749 -0.070
40 HB2 LYS 10 1HB LYS 10 -1.650 14.966 -1.178
41 HB3 LYS 10 2HB LYS 10 -2.569 16.464 -1.232
42 HG2 LYS 10 1HG LYS 10 -0.539 17.294 -0.651
43 HG3 LYS 10 2HG LYS 10 -1.185 16.973 0.961
44 HD2 LYS 10 1HD LYS 10 0.968 16.062 1.017
45 HD3 LYS 10 2HD LYS 10 -0.079 14.669 0.732
46 HE2 LYS 10 1HE LYS 10 0.490 14.595 -1.562
47 HE3 LYS 10 2HE LYS 10 1.242 16.188 -1.503
48 HZ1 LYS 10 3HZ LYS 10 3.150 15.136 -1.167
49 HZ2 LYS 10 1HZ LYS 10 2.384 13.642 -0.961
50 HZ3 LYS 10 2HZ LYS 10 2.584 14.679 0.360
51 H LYS 11 H LYS 11 -2.540 12.797 -0.131
52 HA LYS 11 HA LYS 11 -0.883 12.304 2.227
53 HB2 LYS 11 1HB LYS 11 -3.387 10.794 1.504
54 HB3 LYS 11 2HB LYS 11 -2.119 10.069 2.485
55 HG2 LYS 11 1HG LYS 11 -2.403 12.225 3.929
56 HG3 LYS 11 2HG LYS 11 -3.980 12.302 3.140
57 HD2 LYS 11 1HD LYS 11 -4.136 9.793 3.845
58 HD3 LYS 11 2HD LYS 11 -2.889 10.241 5.011
59 HE2 LYS 11 1HE LYS 11 -4.821 10.604 6.220
60 HE3 LYS 11 2HE LYS 11 -4.499 12.209 5.566
61 HZ1 LYS 11 3HZ LYS 11 -6.383 12.170 4.413
62 HZ2 LYS 11 1HZ LYS 11 -6.827 10.815 5.323
63 HZ3 LYS 11 2HZ LYS 11 -6.098 10.616 3.810
64 HA PRO 12 HA PRO 12 1.620 9.977 -0.527
65 HB2 PRO 12 1HB PRO 12 2.604 8.057 1.121
66 HB3 PRO 12 2HB PRO 12 3.115 9.747 1.202
67 HG2 PRO 12 1HG PRO 12 1.129 8.285 2.899
68 HG3 PRO 12 2HG PRO 12 2.382 9.440 3.388
69 HD2 PRO 12 1HD PRO 12 -0.221 10.138 3.131
70 HD3 PRO 12 2HD PRO 12 1.108 11.267 2.796
71 H TYR 13 H TYR 13 0.998 7.195 1.446
72 HA TYR 13 HA TYR 13 -0.531 5.994 -0.769
73 HB2 TYR 13 1HB TYR 13 1.304 4.617 1.205
74 HB3 TYR 13 2HB TYR 13 0.416 3.830 -0.095
75 HD1 TYR 13 HD1 TYR 13 1.065 4.206 -2.445
76 HD2 TYR 13 HD2 TYR 13 3.329 5.825 0.773
77 HE1 TYR 13 HE1 TYR 13 2.949 4.601 -3.977
78 HE2 TYR 13 HE2 TYR 13 5.219 6.225 -0.750
79 HH TYR 13 HH TYR 13 5.640 6.518 -3.124
80 H GLU 14 H GLU 14 -1.945 4.146 -0.068
81 HA GLU 14 HA GLU 14 -3.017 4.481 2.638
82 HB2 GLU 14 1HB GLU 14 -5.329 4.469 1.741
83 HB3 GLU 14 2HB GLU 14 -4.418 5.898 1.276
84 HG2 GLU 14 1HG GLU 14 -4.784 3.492 -0.489
85 HG3 GLU 14 2HG GLU 14 -5.817 4.919 -0.533
86 H CYS 15 H CYS 15 -3.322 2.588 3.603
87 HA CYS 15 HA CYS 15 -2.935 0.141 2.149
88 HB2 CYS 15 1HB CYS 15 -2.201 0.710 4.572
89 HB3 CYS 15 2HB CYS 15 -3.855 0.291 5.006
90 H LYS 16 H LYS 16 -4.447 -1.734 2.522
91 HA LYS 16 HA LYS 16 -7.224 -0.818 2.174
92 HB2 LYS 16 1HB LYS 16 -5.890 -2.096 0.311
93 HB3 LYS 16 2HB LYS 16 -6.272 -3.513 1.280
94 HG2 LYS 16 1HG LYS 16 -8.055 -3.536 -0.120
95 HG3 LYS 16 2HG LYS 16 -8.711 -2.497 1.148
96 HD2 LYS 16 1HD LYS 16 -7.260 -1.383 -1.238
97 HD3 LYS 16 2HD LYS 16 -8.992 -1.719 -1.269
98 HE2 LYS 16 1HE LYS 16 -9.127 -0.292 0.844
99 HE3 LYS 16 2HE LYS 16 -7.492 0.238 0.449
100 HZ1 LYS 16 3HZ LYS 16 -9.221 0.409 -1.808
101 HZ2 LYS 16 1HZ LYS 16 -8.274 1.612 -1.088
102 HZ3 LYS 16 2HZ LYS 16 -9.832 1.301 -0.507
103 H GLU 17 H GLU 17 -5.107 -2.769 4.056
104 HA GLU 17 HA GLU 17 -7.248 -4.323 5.250
105 HB2 GLU 17 1HB GLU 17 -4.417 -4.227 6.252
106 HB3 GLU 17 2HB GLU 17 -5.580 -5.541 6.366
107 HG2 GLU 17 1HG GLU 17 -4.539 -4.616 3.717
108 HG3 GLU 17 2HG GLU 17 -3.641 -5.764 4.709
109 H CYS 18 H CYS 18 -4.703 -2.196 6.570
110 HA CYS 18 HA CYS 18 -6.454 -1.593 8.838
111 HB2 CYS 18 1HB CYS 18 -4.459 -0.701 9.920
112 HB3 CYS 18 2HB CYS 18 -4.149 -2.328 9.322
113 H ARG 19 H ARG 19 -5.457 -0.277 5.889
114 HA ARG 19 HA ARG 19 -5.816 1.727 4.874
115 HB2 ARG 19 1HB ARG 19 -7.572 2.303 7.268
116 HB3 ARG 19 2HB ARG 19 -7.585 3.171 5.739
117 HG2 ARG 19 1HG ARG 19 -8.071 0.235 5.728
118 HG3 ARG 19 2HG ARG 19 -9.359 1.320 6.254
119 HD2 ARG 19 1HD ARG 19 -7.904 1.875 3.706
120 HD3 ARG 19 2HD ARG 19 -9.155 0.633 3.742
121 HE ARG 19 HE ARG 19 -10.315 2.822 4.898
122 HH11 ARG 19 1HH1 ARG 19 -8.767 2.158 1.851
123 HH12 ARG 19 2HH1 ARG 19 -9.710 3.317 0.972
124 HH21 ARG 19 1HH2 ARG 19 -11.562 4.350 3.752
125 HH22 ARG 19 2HH2 ARG 19 -11.298 4.563 2.054
126 H LYS 20 H LYS 20 -3.625 1.367 6.776
127 HA LYS 20 HA LYS 20 -3.312 4.018 7.961
128 HB2 LYS 20 1HB LYS 20 -2.716 1.946 9.241
129 HB3 LYS 20 2HB LYS 20 -1.424 1.661 8.082
130 HG2 LYS 20 1HG LYS 20 -0.767 4.133 8.768
131 HG3 LYS 20 2HG LYS 20 -1.630 3.680 10.240
132 HD2 LYS 20 1HD LYS 20 -0.189 1.744 10.517
133 HD3 LYS 20 2HD LYS 20 0.639 2.119 9.004
134 HE2 LYS 20 1HE LYS 20 1.502 4.166 9.926
135 HE3 LYS 20 2HE LYS 20 0.550 3.954 11.395
136 HZ1 LYS 20 3HZ LYS 20 2.707 3.258 11.929
137 HZ2 LYS 20 1HZ LYS 20 2.889 2.381 10.493
138 HZ3 LYS 20 2HZ LYS 20 1.843 1.822 11.699
139 H THR 21 H THR 21 -2.508 5.578 6.733
140 HA THR 21 HA THR 21 -1.160 5.128 4.283
141 HB THR 21 HB THR 21 -0.704 7.576 4.320
142 HG1 THR 21 HG1 THR 21 -0.747 8.555 6.186
143 HG21 THR 21 3HG2 THR 21 -2.732 7.693 3.408
144 HG22 THR 21 1HG2 THR 21 -3.431 7.854 5.019
145 HG23 THR 21 2HG2 THR 21 -3.239 6.257 4.296
146 H PHE 22 H PHE 22 1.010 6.106 3.789
147 HA PHE 22 HA PHE 22 2.900 5.950 6.016
148 HB2 PHE 22 1HB PHE 22 3.243 4.388 3.447
149 HB3 PHE 22 2HB PHE 22 4.394 4.461 4.777
150 HD1 PHE 22 HD2 PHE 22 3.873 3.376 6.924
151 HD2 PHE 22 HD1 PHE 22 1.335 2.974 3.531
152 HE1 PHE 22 HE2 PHE 22 2.780 1.438 7.975
153 HE2 PHE 22 HE1 PHE 22 0.238 1.036 4.577
154 HZ PHE 22 HZ PHE 22 0.961 0.265 6.802
155 H ILE 23 H ILE 23 4.363 7.527 5.932
156 HA ILE 23 HA ILE 23 4.295 9.569 4.044
157 HB ILE 23 HB ILE 23 6.598 8.808 5.844
158 HG12 ILE 23 1HG1 ILE 23 4.460 10.892 6.299
159 HG13 ILE 23 2HG1 ILE 23 4.358 9.255 6.937
160 HG21 ILE 23 1HG2 ILE 23 6.099 11.588 4.909
161 HG22 ILE 23 2HG2 ILE 23 7.609 10.807 5.375
162 HG23 ILE 23 3HG2 ILE 23 6.880 10.453 3.809
163 HD11 ILE 23 3HD1 ILE 23 5.805 11.539 7.934
164 HD12 ILE 23 1HD1 ILE 23 5.420 10.012 8.726
165 HD13 ILE 23 2HD1 ILE 23 6.862 10.144 7.719
166 H GLN 24 H GLN 24 6.524 6.819 4.306
167 HA GLN 24 HA GLN 24 7.532 7.468 1.618
168 HB2 GLN 24 1HB GLN 24 8.816 5.784 3.776
169 HB3 GLN 24 2HB GLN 24 9.509 6.126 2.196
170 HG2 GLN 24 1HG GLN 24 10.006 8.299 2.728
171 HG3 GLN 24 2HG GLN 24 8.754 8.397 3.965
172 HE21 GLN 24 1HE2 GLN 24 10.798 9.417 4.949
173 HE22 GLN 24 2HE2 GLN 24 11.766 8.358 5.912
174 H ILE 25 H ILE 25 8.044 5.627 0.216
175 HA ILE 25 HA ILE 25 5.853 3.805 0.089
176 HB ILE 25 HB ILE 25 6.872 4.648 -1.954
177 HG12 ILE 25 1HG1 ILE 25 7.365 2.356 -3.041
178 HG13 ILE 25 2HG1 ILE 25 7.023 1.684 -1.450
179 HG21 ILE 25 1HG2 ILE 25 9.182 4.794 -1.061
180 HG22 ILE 25 2HG2 ILE 25 9.314 3.043 -1.216
181 HG23 ILE 25 3HG2 ILE 25 9.091 4.041 -2.653
182 HD11 ILE 25 3HD1 ILE 25 4.973 1.515 -2.421
183 HD12 ILE 25 1HD1 ILE 25 4.831 3.112 -1.687
184 HD13 ILE 25 2HD1 ILE 25 5.195 2.959 -3.407
185 H GLY 26 H GLY 26 9.315 3.457 0.802
186 HA2 GLY 26 1HA GLY 26 9.548 0.729 0.994
187 HA3 GLY 26 2HA GLY 26 10.425 1.853 2.022
188 H HIS 27 H HIS 27 8.589 2.904 3.650
189 HA HIS 27 HA HIS 27 8.215 1.037 5.635
190 HB2 HIS 27 1HB HIS 27 7.897 3.666 5.571
191 HB3 HIS 27 2HB HIS 27 6.202 3.228 5.384
192 HD2 HIS 27 HD2 HIS 27 9.073 2.647 8.032
193 HE1 HIS 27 HE1 HIS 27 5.297 2.319 9.939
194 HE2 HIS 27 HE2 HIS 27 7.792 2.420 10.268
195 H LEU 28 H LEU 28 5.905 2.041 3.138
196 HA LEU 28 HA LEU 28 3.757 0.449 4.035
197 HB2 LEU 28 1HB LEU 28 3.305 2.240 2.547
198 HB3 LEU 28 2HB LEU 28 4.440 1.619 1.350
199 HG LEU 28 HG LEU 28 2.918 -0.293 0.957
200 HD11 LEU 28 1HD1 LEU 28 0.937 1.214 2.649
201 HD12 LEU 28 2HD1 LEU 28 1.854 -0.178 3.224
202 HD13 LEU 28 3HD1 LEU 28 0.729 -0.358 1.878
203 HD21 LEU 28 3HD2 LEU 28 2.053 2.533 0.521
204 HD22 LEU 28 1HD2 LEU 28 1.012 1.206 0.006
205 HD23 LEU 28 2HD2 LEU 28 2.647 1.347 -0.642
206 H ASN 29 H ASN 29 6.430 -0.174 1.826
207 HA ASN 29 HA ASN 29 5.507 -2.636 0.814
208 HB2 ASN 29 1HB ASN 29 8.124 -1.223 0.928
209 HB3 ASN 29 2HB ASN 29 8.155 -2.952 0.594
210 HD21 ASN 29 1HD2 ASN 29 8.204 -0.066 -0.839
211 HD22 ASN 29 2HD2 ASN 29 7.458 -0.448 -2.350
212 H GLN 30 H GLN 30 7.683 -1.876 3.519
213 HA GLN 30 HA GLN 30 8.040 -4.604 4.273
214 HB2 GLN 30 1HB GLN 30 9.545 -2.557 4.781
215 HB3 GLN 30 2HB GLN 30 8.451 -2.279 6.129
216 HG2 GLN 30 1HG GLN 30 9.010 -4.357 7.123
217 HG3 GLN 30 2HG GLN 30 9.885 -4.880 5.685
218 HE21 GLN 30 1HE2 GLN 30 10.509 -4.240 8.653
219 HE22 GLN 30 2HE2 GLN 30 11.979 -3.339 8.548
220 H HIS 31 H HIS 31 5.492 -2.437 4.646
221 HA HIS 31 HA HIS 31 4.518 -3.615 7.128
222 HB2 HIS 31 1HB HIS 31 4.128 -1.302 7.087
223 HB3 HIS 31 2HB HIS 31 3.620 -1.324 5.401
224 HD1 HIS 31 HD1 HIS 31 2.372 -1.979 8.867
225 HD2 HIS 31 HD2 HIS 31 0.930 -1.938 4.971
226 HE1 HIS 31 HE1 HIS 31 -0.131 -2.093 9.076
227 H LYS 32 H LYS 32 3.682 -3.460 3.699
228 HA LYS 32 HA LYS 32 1.233 -4.794 3.791
229 HB2 LYS 32 1HB LYS 32 3.350 -4.536 1.673
230 HB3 LYS 32 2HB LYS 32 1.915 -5.515 1.396
231 HG2 LYS 32 1HG LYS 32 0.487 -3.616 1.667
232 HG3 LYS 32 2HG LYS 32 1.843 -2.610 2.180
233 HD2 LYS 32 1HD LYS 32 1.564 -2.012 -0.048
234 HD3 LYS 32 2HD LYS 32 2.856 -3.213 -0.122
235 HE2 LYS 32 1HE LYS 32 1.336 -4.907 -0.841
236 HE3 LYS 32 2HE LYS 32 -0.055 -3.870 -0.532
237 HZ1 LYS 32 3HZ LYS 32 0.105 -3.404 -2.697
238 HZ2 LYS 32 1HZ LYS 32 1.697 -3.963 -2.819
239 HZ3 LYS 32 2HZ LYS 32 1.391 -2.397 -2.259
240 H ARG 33 H ARG 33 4.392 -5.965 4.348
241 HA ARG 33 HA ARG 33 3.929 -8.691 3.613
242 HB2 ARG 33 1HB ARG 33 6.078 -7.197 5.046
243 HB3 ARG 33 2HB ARG 33 6.004 -8.943 5.241
244 HG2 ARG 33 1HG ARG 33 5.851 -8.861 2.600
245 HG3 ARG 33 2HG ARG 33 6.679 -7.323 2.854
246 HD2 ARG 33 1HD ARG 33 8.425 -8.457 4.117
247 HD3 ARG 33 2HD ARG 33 7.586 -9.995 3.921
248 HE ARG 33 HE ARG 33 8.360 -10.119 1.754
249 HH11 ARG 33 1HH1 ARG 33 9.004 -6.960 3.069
250 HH12 ARG 33 2HH1 ARG 33 10.042 -6.486 1.766
251 HH21 ARG 33 1HH2 ARG 33 9.724 -9.506 0.032
252 HH22 ARG 33 2HH2 ARG 33 10.450 -7.934 0.038
253 H VAL 34 H VAL 34 4.118 -6.984 6.734
254 HA VAL 34 HA VAL 34 3.608 -9.093 8.437
255 HB VAL 34 HB VAL 34 2.756 -7.475 10.044
256 HG11 VAL 34 1HG1 VAL 34 4.657 -5.680 9.633
257 HG12 VAL 34 2HG1 VAL 34 5.033 -7.337 10.111
258 HG13 VAL 34 3HG1 VAL 34 5.164 -6.854 8.420
259 HG21 VAL 34 3HG2 VAL 34 2.991 -5.097 8.405
260 HG22 VAL 34 1HG2 VAL 34 1.727 -6.180 7.819
261 HG23 VAL 34 2HG2 VAL 34 1.689 -5.599 9.484
262 H HIS 35 H HIS 35 1.440 -7.469 6.278
263 HA HIS 35 HA HIS 35 -0.984 -8.329 7.525
264 HB2 HIS 35 1HB HIS 35 -0.246 -7.009 4.957
265 HB3 HIS 35 2HB HIS 35 -1.816 -7.803 5.049
266 HD1 HIS 35 HD1 HIS 35 -2.710 -7.045 7.851
267 HD2 HIS 35 HD2 HIS 35 -0.868 -4.387 5.243
268 HE1 HIS 35 HE1 HIS 35 -3.396 -4.755 8.629
269 H THR 36 H THR 36 0.583 -9.305 4.470
270 HA THR 36 HA THR 36 -1.007 -11.726 4.382
271 HB THR 36 HB THR 36 0.306 -12.174 2.272
272 HG1 THR 36 HG1 THR 36 1.293 -9.996 1.569
273 HG21 THR 36 3HG2 THR 36 -1.862 -11.175 2.086
274 HG22 THR 36 1HG2 THR 36 -0.780 -10.304 1.000
275 HG23 THR 36 2HG2 THR 36 -1.233 -9.594 2.549
276 H GLY 37 H GLY 37 -0.413 -13.584 5.278
277 HA2 GLY 37 1HA GLY 37 1.489 -15.258 5.194
278 HA3 GLY 37 2HA GLY 37 2.445 -13.970 5.912
279 H GLU 38 H GLU 38 1.879 -13.243 8.060
280 HA GLU 38 HA GLU 38 1.544 -15.303 9.886
281 HB2 GLU 38 1HB GLU 38 2.531 -13.088 10.406
282 HB3 GLU 38 2HB GLU 38 0.924 -12.378 10.331
283 HG2 GLU 38 1HG GLU 38 1.223 -12.672 12.590
284 HG3 GLU 38 2HG GLU 38 0.331 -14.125 12.143
285 H ARG 39 H ARG 39 -0.153 -16.367 10.679
286 HA ARG 39 HA ARG 39 -2.816 -15.600 9.779
287 HB2 ARG 39 1HB ARG 39 -1.792 -18.083 11.163
288 HB3 ARG 39 2HB ARG 39 -3.472 -17.828 10.714
289 HG2 ARG 39 1HG ARG 39 -3.068 -18.113 8.486
290 HG3 ARG 39 2HG ARG 39 -1.397 -17.562 8.606
291 HD2 ARG 39 1HD ARG 39 -0.726 -19.629 9.620
292 HD3 ARG 39 2HD ARG 39 -2.401 -20.167 9.739
293 HE ARG 39 HE ARG 39 -0.702 -20.285 7.425
294 HH11 ARG 39 1HH1 ARG 39 -3.992 -20.170 8.556
295 HH12 ARG 39 2HH1 ARG 39 -4.644 -20.919 7.136
296 HH21 ARG 39 1HH2 ARG 39 -1.548 -21.272 5.551
297 HH22 ARG 39 2HH2 ARG 39 -3.252 -21.546 5.428
298 H SER 40 H SER 40 -3.567 -13.978 11.050
299 HA SER 40 HA SER 40 -3.674 -14.498 13.950
300 HB2 SER 40 1HB SER 40 -2.270 -12.506 13.126
301 HB3 SER 40 2HB SER 40 -3.810 -11.746 12.726
302 HG SER 40 HG SER 40 -2.608 -11.985 15.122
303 H SER 41 H SER 41 -5.339 -12.580 11.441
304 HA SER 41 HA SER 41 -7.856 -13.782 11.878
305 HB2 SER 41 1HB SER 41 -9.034 -12.144 13.118
306 HB3 SER 41 2HB SER 41 -7.534 -12.398 14.010
307 HG SER 41 HG SER 41 -6.855 -10.529 12.472
308 H GLY 42 H GLY 42 -9.470 -12.985 10.469
309 HA2 GLY 42 1HA GLY 42 -8.441 -11.792 8.090
310 HA3 GLY 42 2HA GLY 42 -10.118 -12.215 8.397
311 HA PRO 43 HA PRO 43 -9.189 -7.519 8.732
312 HB2 PRO 43 1HB PRO 43 -9.804 -6.729 6.208
313 HB3 PRO 43 2HB PRO 43 -8.165 -7.165 6.706
314 HG2 PRO 43 1HG PRO 43 -10.199 -8.803 5.243
315 HG3 PRO 43 2HG PRO 43 -8.459 -8.646 4.938
316 HD2 PRO 43 1HD PRO 43 -9.523 -10.763 6.249
317 HD3 PRO 43 2HD PRO 43 -7.904 -10.131 6.611
318 H SER 44 H SER 44 -10.831 -5.788 8.393
319 HA SER 44 HA SER 44 -13.461 -6.834 8.946
320 HB2 SER 44 1HB SER 44 -12.255 -4.076 8.938
321 HB3 SER 44 2HB SER 44 -13.996 -4.307 9.096
322 HG SER 44 HG SER 44 -12.235 -4.408 11.009
323 H SER 45 H SER 45 -15.360 -5.552 7.911
324 HA SER 45 HA SER 45 -15.697 -6.325 5.313
325 HB2 SER 45 1HB SER 45 -16.936 -3.927 6.684
326 HB3 SER 45 2HB SER 45 -17.526 -4.641 5.184
327 HG SER 45 HG SER 45 -17.176 -6.346 7.358
328 H GLY 46 H GLY 46 -14.626 -5.828 3.525
329 HA2 GLY 46 1HA GLY 46 -14.424 -3.679 2.066
330 HA3 GLY 46 2HA GLY 46 -13.302 -3.215 3.337
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -27.496 9.708 -1.286
2 HA2 GLY 1 1HA GLY 1 -26.562 10.520 0.651
3 HA3 GLY 1 2HA GLY 1 -27.113 9.056 1.451
4 H SER 2 H SER 2 -24.538 10.632 1.523
5 HA SER 2 HA SER 2 -22.790 8.403 1.746
6 HB2 SER 2 1HB SER 2 -21.153 9.079 0.015
7 HB3 SER 2 2HB SER 2 -22.698 8.598 -0.688
8 HG SER 2 HG SER 2 -22.363 11.293 -0.074
9 H SER 3 H SER 3 -20.434 9.251 2.075
10 HA SER 3 HA SER 3 -20.098 11.938 2.949
11 HB2 SER 3 1HB SER 3 -21.521 10.997 4.798
12 HB3 SER 3 2HB SER 3 -20.214 9.868 5.153
13 HG SER 3 HG SER 3 -19.017 11.465 5.931
14 H GLY 4 H GLY 4 -17.961 12.442 3.268
15 HA2 GLY 4 1HA GLY 4 -15.851 10.973 4.089
16 HA3 GLY 4 2HA GLY 4 -16.061 10.424 2.433
17 H SER 5 H SER 5 -13.799 11.826 3.585
18 HA SER 5 HA SER 5 -13.922 14.519 2.524
19 HB2 SER 5 1HB SER 5 -11.611 12.986 3.740
20 HB3 SER 5 2HB SER 5 -11.599 14.702 3.334
21 HG SER 5 HG SER 5 -13.604 13.692 5.018
22 H SER 6 H SER 6 -14.251 14.154 0.309
23 HA SER 6 HA SER 6 -12.584 12.487 -1.265
24 HB2 SER 6 1HB SER 6 -14.477 14.734 -1.946
25 HB3 SER 6 2HB SER 6 -13.560 13.875 -3.183
26 HG SER 6 HG SER 6 -14.987 12.354 -1.330
27 H GLY 7 H GLY 7 -12.797 16.054 -1.229
28 HA2 GLY 7 1HA GLY 7 -10.363 16.417 -2.633
29 HA3 GLY 7 2HA GLY 7 -11.231 17.656 -1.740
30 H SER 8 H SER 8 -11.091 17.180 0.776
31 HA SER 8 HA SER 8 -8.505 17.748 1.574
32 HB2 SER 8 1HB SER 8 -10.939 16.767 3.018
33 HB3 SER 8 2HB SER 8 -9.403 16.846 3.881
34 HG SER 8 HG SER 8 -10.873 18.782 3.858
35 H GLY 9 H GLY 9 -6.717 16.573 1.706
36 HA2 GLY 9 1HA GLY 9 -6.688 13.907 2.730
37 HA3 GLY 9 2HA GLY 9 -6.468 13.925 0.987
38 H LYS 10 H LYS 10 -4.617 14.970 0.106
39 HA LYS 10 HA LYS 10 -2.387 15.407 0.005
40 HB2 LYS 10 1HB LYS 10 -2.820 16.534 2.778
41 HB3 LYS 10 2HB LYS 10 -1.444 16.861 1.734
42 HG2 LYS 10 1HG LYS 10 -4.295 17.573 1.079
43 HG3 LYS 10 2HG LYS 10 -3.109 18.682 1.771
44 HD2 LYS 10 1HD LYS 10 -1.689 18.407 -0.192
45 HD3 LYS 10 2HD LYS 10 -2.840 17.257 -0.877
46 HE2 LYS 10 1HE LYS 10 -4.510 18.956 -1.088
47 HE3 LYS 10 2HE LYS 10 -3.530 20.107 -0.182
48 HZ1 LYS 10 3HZ LYS 10 -2.638 20.758 -2.084
49 HZ2 LYS 10 1HZ LYS 10 -3.531 19.608 -2.945
50 HZ3 LYS 10 2HZ LYS 10 -2.005 19.209 -2.335
51 H LYS 11 H LYS 11 -3.202 12.828 0.934
52 HA LYS 11 HA LYS 11 -1.121 12.155 2.894
53 HB2 LYS 11 1HB LYS 11 -3.463 10.514 1.912
54 HB3 LYS 11 2HB LYS 11 -2.308 10.009 3.137
55 HG2 LYS 11 1HG LYS 11 -3.151 11.448 4.722
56 HG3 LYS 11 2HG LYS 11 -3.838 12.540 3.518
57 HD2 LYS 11 1HD LYS 11 -5.556 10.903 2.985
58 HD3 LYS 11 2HD LYS 11 -4.846 9.760 4.128
59 HE2 LYS 11 1HE LYS 11 -5.271 11.389 5.945
60 HE3 LYS 11 2HE LYS 11 -6.076 12.437 4.778
61 HZ1 LYS 11 3HZ LYS 11 -7.080 9.750 4.758
62 HZ2 LYS 11 1HZ LYS 11 -7.919 11.215 4.864
63 HZ3 LYS 11 2HZ LYS 11 -7.275 10.507 6.258
64 HA PRO 12 HA PRO 12 1.419 10.215 -0.118
65 HB2 PRO 12 1HB PRO 12 2.541 8.236 1.363
66 HB3 PRO 12 2HB PRO 12 2.972 9.940 1.552
67 HG2 PRO 12 1HG PRO 12 1.108 8.264 3.189
68 HG3 PRO 12 2HG PRO 12 2.318 9.443 3.728
69 HD2 PRO 12 1HD PRO 12 -0.322 10.027 3.587
70 HD3 PRO 12 2HD PRO 12 0.941 11.241 3.301
71 H TYR 13 H TYR 13 0.988 7.274 1.666
72 HA TYR 13 HA TYR 13 -0.507 6.146 -0.608
73 HB2 TYR 13 1HB TYR 13 1.505 4.877 1.251
74 HB3 TYR 13 2HB TYR 13 0.485 3.945 0.161
75 HD1 TYR 13 HD2 TYR 13 3.188 6.458 0.316
76 HD2 TYR 13 HD1 TYR 13 0.986 3.788 -2.159
77 HE1 TYR 13 HE2 TYR 13 4.826 6.789 -1.489
78 HE2 TYR 13 HE1 TYR 13 2.619 4.110 -3.970
79 HH TYR 13 HH TYR 13 5.003 6.574 -3.878
80 H GLU 14 H GLU 14 -1.760 4.108 0.048
81 HA GLU 14 HA GLU 14 -2.890 4.286 2.735
82 HB2 GLU 14 1HB GLU 14 -4.370 5.716 1.513
83 HB3 GLU 14 2HB GLU 14 -4.481 4.567 0.187
84 HG2 GLU 14 1HG GLU 14 -5.663 3.000 1.626
85 HG3 GLU 14 2HG GLU 14 -5.534 4.130 2.972
86 H CYS 15 H CYS 15 -3.290 2.338 3.581
87 HA CYS 15 HA CYS 15 -2.701 -0.011 2.030
88 HB2 CYS 15 1HB CYS 15 -2.110 0.394 4.493
89 HB3 CYS 15 2HB CYS 15 -3.795 0.021 4.838
90 H LYS 16 H LYS 16 -4.162 -1.948 2.171
91 HA LYS 16 HA LYS 16 -6.910 -1.106 1.566
92 HB2 LYS 16 1HB LYS 16 -5.362 -3.581 0.789
93 HB3 LYS 16 2HB LYS 16 -7.069 -3.347 0.440
94 HG2 LYS 16 1HG LYS 16 -6.322 -1.189 -0.736
95 HG3 LYS 16 2HG LYS 16 -4.705 -1.897 -0.684
96 HD2 LYS 16 1HD LYS 16 -5.595 -3.902 -1.836
97 HD3 LYS 16 2HD LYS 16 -7.160 -3.096 -1.967
98 HE2 LYS 16 1HE LYS 16 -6.192 -2.659 -4.025
99 HE3 LYS 16 2HE LYS 16 -5.816 -1.201 -3.107
100 HZ1 LYS 16 3HZ LYS 16 -3.836 -3.294 -2.897
101 HZ2 LYS 16 1HZ LYS 16 -3.636 -1.635 -3.166
102 HZ3 LYS 16 2HZ LYS 16 -4.012 -2.661 -4.456
103 H GLU 17 H GLU 17 -5.049 -2.714 3.897
104 HA GLU 17 HA GLU 17 -7.360 -4.206 4.920
105 HB2 GLU 17 1HB GLU 17 -4.587 -4.346 6.068
106 HB3 GLU 17 2HB GLU 17 -5.871 -5.544 6.141
107 HG2 GLU 17 1HG GLU 17 -4.688 -4.800 3.507
108 HG3 GLU 17 2HG GLU 17 -3.833 -5.910 4.578
109 H CYS 18 H CYS 18 -4.683 -2.302 6.319
110 HA CYS 18 HA CYS 18 -6.451 -1.485 8.496
111 HB2 CYS 18 1HB CYS 18 -4.460 -0.753 9.641
112 HB3 CYS 18 2HB CYS 18 -4.167 -2.364 8.992
113 H ARG 19 H ARG 19 -5.703 -0.392 5.496
114 HA ARG 19 HA ARG 19 -5.730 1.628 4.434
115 HB2 ARG 19 1HB ARG 19 -7.642 2.234 6.697
116 HB3 ARG 19 2HB ARG 19 -7.487 3.181 5.224
117 HG2 ARG 19 1HG ARG 19 -9.273 1.892 4.666
118 HG3 ARG 19 2HG ARG 19 -7.970 0.852 4.087
119 HD2 ARG 19 1HD ARG 19 -8.156 -0.596 5.902
120 HD3 ARG 19 2HD ARG 19 -9.016 0.592 6.881
121 HE ARG 19 HE ARG 19 -10.446 -0.225 4.524
122 HH11 ARG 19 1HH1 ARG 19 -9.771 -0.945 7.863
123 HH12 ARG 19 2HH1 ARG 19 -11.237 -1.837 8.103
124 HH21 ARG 19 1HH2 ARG 19 -12.379 -1.398 4.827
125 HH22 ARG 19 2HH2 ARG 19 -12.719 -2.095 6.375
126 H LYS 20 H LYS 20 -3.630 1.284 6.383
127 HA LYS 20 HA LYS 20 -3.340 3.857 7.695
128 HB2 LYS 20 1HB LYS 20 -2.601 1.744 8.786
129 HB3 LYS 20 2HB LYS 20 -1.383 1.558 7.530
130 HG2 LYS 20 1HG LYS 20 -0.202 3.473 8.263
131 HG3 LYS 20 2HG LYS 20 -1.523 3.963 9.326
132 HD2 LYS 20 1HD LYS 20 -1.157 1.942 10.681
133 HD3 LYS 20 2HD LYS 20 0.191 1.497 9.631
134 HE2 LYS 20 1HE LYS 20 1.548 3.159 10.443
135 HE3 LYS 20 2HE LYS 20 0.193 4.195 10.890
136 HZ1 LYS 20 3HZ LYS 20 0.479 1.669 12.325
137 HZ2 LYS 20 1HZ LYS 20 -0.053 3.175 12.882
138 HZ3 LYS 20 2HZ LYS 20 1.601 2.885 12.676
139 H THR 21 H THR 21 -1.847 5.426 7.173
140 HA THR 21 HA THR 21 -0.927 5.393 4.414
141 HB THR 21 HB THR 21 -0.308 7.772 4.841
142 HG1 THR 21 HG1 THR 21 -1.425 8.522 6.923
143 HG21 THR 21 3HG2 THR 21 -2.498 8.586 4.685
144 HG22 THR 21 1HG2 THR 21 -3.143 7.316 5.723
145 HG23 THR 21 2HG2 THR 21 -2.618 6.933 4.083
146 H PHE 22 H PHE 22 1.274 6.386 3.983
147 HA PHE 22 HA PHE 22 3.279 5.872 6.015
148 HB2 PHE 22 1HB PHE 22 3.302 4.374 3.386
149 HB3 PHE 22 2HB PHE 22 4.578 4.339 4.599
150 HD1 PHE 22 HD1 PHE 22 1.042 3.451 3.976
151 HD2 PHE 22 HD2 PHE 22 4.478 2.864 6.417
152 HE1 PHE 22 HE1 PHE 22 -0.074 1.560 5.086
153 HE2 PHE 22 HE2 PHE 22 3.368 0.971 7.531
154 HZ PHE 22 HZ PHE 22 1.090 0.316 6.865
155 H ILE 23 H ILE 23 4.226 7.816 5.966
156 HA ILE 23 HA ILE 23 4.369 9.743 4.135
157 HB ILE 23 HB ILE 23 6.843 8.872 5.629
158 HG12 ILE 23 1HG1 ILE 23 5.804 10.745 7.227
159 HG13 ILE 23 2HG1 ILE 23 4.304 10.133 6.541
160 HG21 ILE 23 1HG2 ILE 23 6.056 11.269 4.116
161 HG22 ILE 23 2HG2 ILE 23 6.834 11.571 5.669
162 HG23 ILE 23 3HG2 ILE 23 7.657 10.606 4.444
163 HD11 ILE 23 3HD1 ILE 23 6.052 8.970 8.536
164 HD12 ILE 23 1HD1 ILE 23 4.369 8.608 8.151
165 HD13 ILE 23 2HD1 ILE 23 5.668 7.846 7.233
166 H GLN 24 H GLN 24 6.629 6.992 4.180
167 HA GLN 24 HA GLN 24 7.467 7.705 1.457
168 HB2 GLN 24 1HB GLN 24 8.742 6.086 3.642
169 HB3 GLN 24 2HB GLN 24 9.261 5.907 1.971
170 HG2 GLN 24 1HG GLN 24 9.218 8.530 3.441
171 HG3 GLN 24 2HG GLN 24 10.629 7.479 3.334
172 HE21 GLN 24 1HE2 GLN 24 11.182 9.795 2.429
173 HE22 GLN 24 2HE2 GLN 24 11.132 9.905 0.706
174 H ILE 25 H ILE 25 8.174 5.580 0.214
175 HA ILE 25 HA ILE 25 5.741 3.997 -0.006
176 HB ILE 25 HB ILE 25 7.015 5.045 -1.989
177 HG12 ILE 25 1HG1 ILE 25 5.146 3.536 -2.305
178 HG13 ILE 25 2HG1 ILE 25 6.417 3.120 -3.449
179 HG21 ILE 25 1HG2 ILE 25 8.737 3.552 -2.963
180 HG22 ILE 25 2HG2 ILE 25 9.235 4.295 -1.444
181 HG23 ILE 25 3HG2 ILE 25 8.715 2.610 -1.473
182 HD11 ILE 25 3HD1 ILE 25 7.086 1.448 -1.505
183 HD12 ILE 25 1HD1 ILE 25 5.368 1.603 -1.139
184 HD13 ILE 25 2HD1 ILE 25 5.884 1.043 -2.730
185 H GLY 26 H GLY 26 9.195 3.550 0.616
186 HA2 GLY 26 1HA GLY 26 9.269 0.757 0.644
187 HA3 GLY 26 2HA GLY 26 10.352 1.803 1.550
188 H HIS 27 H HIS 27 8.813 2.975 3.397
189 HA HIS 27 HA HIS 27 8.596 1.180 5.444
190 HB2 HIS 27 1HB HIS 27 7.374 3.840 4.912
191 HB3 HIS 27 2HB HIS 27 6.720 2.903 6.252
192 HD2 HIS 27 HD2 HIS 27 10.443 3.827 5.213
193 HE1 HIS 27 HE1 HIS 27 9.933 4.333 9.395
194 HE2 HIS 27 HE2 HIS 27 11.510 4.579 7.446
195 H LEU 28 H LEU 28 6.292 1.803 2.906
196 HA LEU 28 HA LEU 28 4.168 0.319 4.187
197 HB2 LEU 28 1HB LEU 28 3.434 2.091 2.833
198 HB3 LEU 28 2HB LEU 28 4.496 1.626 1.506
199 HG LEU 28 HG LEU 28 3.066 -0.411 1.198
200 HD11 LEU 28 1HD1 LEU 28 0.821 -0.374 2.172
201 HD12 LEU 28 2HD1 LEU 28 1.258 1.047 3.120
202 HD13 LEU 28 3HD1 LEU 28 2.069 -0.492 3.413
203 HD21 LEU 28 3HD2 LEU 28 2.730 1.302 -0.358
204 HD22 LEU 28 1HD2 LEU 28 1.987 2.365 0.836
205 HD23 LEU 28 2HD2 LEU 28 1.113 0.948 0.253
206 H ASN 29 H ASN 29 6.368 -0.148 1.441
207 HA ASN 29 HA ASN 29 5.506 -2.501 0.391
208 HB2 ASN 29 1HB ASN 29 8.205 -1.306 0.766
209 HB3 ASN 29 2HB ASN 29 8.133 -2.995 0.274
210 HD21 ASN 29 1HD2 ASN 29 8.852 -0.329 -1.043
211 HD22 ASN 29 2HD2 ASN 29 8.017 -0.390 -2.554
212 H GLN 30 H GLN 30 7.582 -2.156 3.256
213 HA GLN 30 HA GLN 30 7.701 -4.959 3.768
214 HB2 GLN 30 1HB GLN 30 9.414 -3.312 4.532
215 HB3 GLN 30 2HB GLN 30 8.241 -2.683 5.681
216 HG2 GLN 30 1HG GLN 30 9.760 -4.186 6.788
217 HG3 GLN 30 2HG GLN 30 8.139 -4.879 6.763
218 HE21 GLN 30 1HE2 GLN 30 9.434 -6.839 7.235
219 HE22 GLN 30 2HE2 GLN 30 10.037 -7.749 5.896
220 H HIS 31 H HIS 31 5.856 -2.276 5.181
221 HA HIS 31 HA HIS 31 4.551 -3.534 7.228
222 HB2 HIS 31 1HB HIS 31 4.081 -1.265 7.055
223 HB3 HIS 31 2HB HIS 31 3.716 -1.366 5.335
224 HD1 HIS 31 HD1 HIS 31 2.194 -2.088 8.706
225 HD2 HIS 31 HD2 HIS 31 1.066 -1.814 4.717
226 HE1 HIS 31 HE1 HIS 31 -0.319 -2.164 8.711
227 H LYS 32 H LYS 32 3.366 -3.339 3.869
228 HA LYS 32 HA LYS 32 1.068 -4.722 3.942
229 HB2 LYS 32 1HB LYS 32 3.307 -4.770 1.955
230 HB3 LYS 32 2HB LYS 32 1.925 -5.833 1.720
231 HG2 LYS 32 1HG LYS 32 0.480 -3.759 1.937
232 HG3 LYS 32 2HG LYS 32 1.975 -2.833 1.787
233 HD2 LYS 32 1HD LYS 32 2.321 -3.499 -0.401
234 HD3 LYS 32 2HD LYS 32 1.332 -4.950 -0.223
235 HE2 LYS 32 1HE LYS 32 0.007 -3.550 -1.527
236 HE3 LYS 32 2HE LYS 32 -0.629 -3.315 0.101
237 HZ1 LYS 32 3HZ LYS 32 0.068 -1.323 -1.533
238 HZ2 LYS 32 1HZ LYS 32 1.507 -1.514 -0.664
239 HZ3 LYS 32 2HZ LYS 32 0.061 -1.195 0.154
240 H ARG 33 H ARG 33 4.258 -6.081 4.408
241 HA ARG 33 HA ARG 33 3.533 -8.809 4.200
242 HB2 ARG 33 1HB ARG 33 5.792 -7.641 5.831
243 HB3 ARG 33 2HB ARG 33 5.669 -9.284 5.216
244 HG2 ARG 33 1HG ARG 33 5.734 -8.355 2.908
245 HG3 ARG 33 2HG ARG 33 6.038 -6.766 3.612
246 HD2 ARG 33 1HD ARG 33 8.158 -7.612 3.048
247 HD3 ARG 33 2HD ARG 33 8.017 -7.834 4.791
248 HE ARG 33 HE ARG 33 7.154 -10.196 3.803
249 HH11 ARG 33 1HH1 ARG 33 10.010 -8.282 3.255
250 HH12 ARG 33 2HH1 ARG 33 11.020 -9.649 2.918
251 HH21 ARG 33 1HH2 ARG 33 8.474 -12.003 3.361
252 HH22 ARG 33 2HH2 ARG 33 10.145 -11.765 2.978
253 H VAL 34 H VAL 34 3.814 -6.604 6.964
254 HA VAL 34 HA VAL 34 3.433 -8.282 9.080
255 HB VAL 34 HB VAL 34 3.620 -5.684 9.003
256 HG11 VAL 34 1HG1 VAL 34 1.658 -4.431 9.135
257 HG12 VAL 34 2HG1 VAL 34 1.331 -5.581 7.837
258 HG13 VAL 34 3HG1 VAL 34 0.659 -5.851 9.446
259 HG21 VAL 34 3HG2 VAL 34 1.799 -6.663 11.157
260 HG22 VAL 34 1HG2 VAL 34 3.410 -7.361 10.996
261 HG23 VAL 34 2HG2 VAL 34 3.223 -5.629 11.273
262 H HIS 35 H HIS 35 1.050 -7.247 6.732
263 HA HIS 35 HA HIS 35 -1.210 -8.254 8.171
264 HB2 HIS 35 1HB HIS 35 -0.781 -7.305 5.347
265 HB3 HIS 35 2HB HIS 35 -2.311 -8.018 5.849
266 HD1 HIS 35 HD1 HIS 35 -3.211 -6.751 8.234
267 HD2 HIS 35 HD2 HIS 35 -0.857 -4.623 5.553
268 HE1 HIS 35 HE1 HIS 35 -3.636 -4.326 8.745
269 H THR 36 H THR 36 0.667 -9.406 5.379
270 HA THR 36 HA THR 36 -0.773 -11.777 4.954
271 HB THR 36 HB THR 36 2.146 -11.234 4.373
272 HG1 THR 36 HG1 THR 36 0.425 -9.845 3.400
273 HG21 THR 36 3HG2 THR 36 0.793 -13.649 4.249
274 HG22 THR 36 1HG2 THR 36 2.289 -13.246 3.407
275 HG23 THR 36 2HG2 THR 36 0.737 -13.046 2.593
276 H GLY 37 H GLY 37 2.154 -11.153 6.877
277 HA2 GLY 37 1HA GLY 37 3.009 -13.548 7.685
278 HA3 GLY 37 2HA GLY 37 2.808 -12.233 8.833
279 H GLU 38 H GLU 38 0.110 -12.014 9.069
280 HA GLU 38 HA GLU 38 -0.514 -14.161 10.799
281 HB2 GLU 38 1HB GLU 38 -1.373 -11.709 10.802
282 HB3 GLU 38 2HB GLU 38 -2.589 -12.302 9.680
283 HG2 GLU 38 1HG GLU 38 -3.192 -14.028 11.393
284 HG3 GLU 38 2HG GLU 38 -2.125 -13.185 12.515
285 H ARG 39 H ARG 39 -0.382 -16.068 9.579
286 HA ARG 39 HA ARG 39 -2.308 -16.416 7.406
287 HB2 ARG 39 1HB ARG 39 0.126 -17.153 7.233
288 HB3 ARG 39 2HB ARG 39 -0.284 -18.432 8.368
289 HG2 ARG 39 1HG ARG 39 -2.101 -19.099 6.722
290 HG3 ARG 39 2HG ARG 39 -1.298 -18.024 5.576
291 HD2 ARG 39 1HD ARG 39 0.835 -19.354 6.220
292 HD3 ARG 39 2HD ARG 39 -0.305 -20.562 6.812
293 HE ARG 39 HE ARG 39 -0.685 -21.160 4.649
294 HH11 ARG 39 1HH1 ARG 39 0.566 -17.911 4.689
295 HH12 ARG 39 2HH1 ARG 39 0.643 -17.781 2.963
296 HH21 ARG 39 1HH2 ARG 39 -0.588 -21.000 2.375
297 HH22 ARG 39 2HH2 ARG 39 -0.014 -19.538 1.648
298 H SER 40 H SER 40 -3.563 -16.107 9.800
299 HA SER 40 HA SER 40 -4.023 -18.291 11.409
300 HB2 SER 40 1HB SER 40 -4.988 -15.919 11.594
301 HB3 SER 40 2HB SER 40 -6.261 -16.480 10.510
302 HG SER 40 HG SER 40 -7.103 -16.993 12.405
303 H SER 41 H SER 41 -5.179 -20.145 11.294
304 HA SER 41 HA SER 41 -5.627 -21.428 8.908
305 HB2 SER 41 1HB SER 41 -7.138 -22.959 10.212
306 HB3 SER 41 2HB SER 41 -5.566 -22.681 10.963
307 HG SER 41 HG SER 41 -8.102 -21.820 11.752
308 H GLY 42 H GLY 42 -7.093 -21.294 7.338
309 HA2 GLY 42 1HA GLY 42 -9.776 -20.290 7.947
310 HA3 GLY 42 2HA GLY 42 -8.829 -19.409 6.757
311 HA PRO 43 HA PRO 43 -11.291 -22.857 4.727
312 HB2 PRO 43 1HB PRO 43 -12.731 -21.256 3.073
313 HB3 PRO 43 2HB PRO 43 -13.266 -21.683 4.702
314 HG2 PRO 43 1HG PRO 43 -11.922 -19.186 3.743
315 HG3 PRO 43 2HG PRO 43 -13.284 -19.363 4.864
316 HD2 PRO 43 1HD PRO 43 -10.751 -18.915 5.710
317 HD3 PRO 43 2HD PRO 43 -11.915 -19.874 6.646
318 H SER 44 H SER 44 -9.613 -19.997 3.574
319 HA SER 44 HA SER 44 -9.317 -20.722 0.880
320 HB2 SER 44 1HB SER 44 -7.825 -18.901 2.736
321 HB3 SER 44 2HB SER 44 -7.158 -19.244 1.139
322 HG SER 44 HG SER 44 -9.540 -17.925 1.833
323 H SER 45 H SER 45 -8.178 -22.272 -0.065
324 HA SER 45 HA SER 45 -6.187 -23.722 1.529
325 HB2 SER 45 1HB SER 45 -8.003 -24.458 -0.714
326 HB3 SER 45 2HB SER 45 -6.455 -25.298 -0.612
327 HG SER 45 HG SER 45 -7.860 -26.467 0.611
328 H GLY 46 H GLY 46 -4.510 -24.832 -0.128
329 HA2 GLY 46 1HA GLY 46 -3.522 -22.805 -2.006
330 HA3 GLY 46 2HA GLY 46 -2.465 -23.312 -0.697
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -20.845 24.852 1.479
2 HA2 GLY 1 1HA GLY 1 -22.035 23.653 3.570
3 HA3 GLY 1 2HA GLY 1 -22.759 22.802 2.214
4 H SER 2 H SER 2 -19.466 23.945 2.970
5 HA SER 2 HA SER 2 -18.529 21.175 2.667
6 HB2 SER 2 1HB SER 2 -17.143 23.597 1.494
7 HB3 SER 2 2HB SER 2 -16.605 21.922 1.373
8 HG SER 2 HG SER 2 -18.944 21.755 0.441
9 H SER 3 H SER 3 -17.763 20.626 4.596
10 HA SER 3 HA SER 3 -16.299 22.637 6.166
11 HB2 SER 3 1HB SER 3 -17.678 20.084 7.029
12 HB3 SER 3 2HB SER 3 -16.729 21.111 8.103
13 HG SER 3 HG SER 3 -19.069 21.486 8.065
14 H GLY 4 H GLY 4 -14.189 22.502 5.689
15 HA2 GLY 4 1HA GLY 4 -12.056 21.629 5.729
16 HA3 GLY 4 2HA GLY 4 -12.725 20.165 6.435
17 H SER 5 H SER 5 -12.911 21.868 3.304
18 HA SER 5 HA SER 5 -12.414 19.273 1.997
19 HB2 SER 5 1HB SER 5 -14.186 21.565 1.147
20 HB3 SER 5 2HB SER 5 -13.686 20.288 0.037
21 HG SER 5 HG SER 5 -15.102 19.923 2.472
22 H SER 6 H SER 6 -10.811 19.152 0.526
23 HA SER 6 HA SER 6 -9.437 21.657 -0.198
24 HB2 SER 6 1HB SER 6 -8.233 18.978 0.524
25 HB3 SER 6 2HB SER 6 -7.318 20.290 -0.220
26 HG SER 6 HG SER 6 -8.696 20.414 2.260
27 H GLY 7 H GLY 7 -9.626 18.215 -1.139
28 HA2 GLY 7 1HA GLY 7 -10.614 18.591 -3.697
29 HA3 GLY 7 2HA GLY 7 -8.866 18.716 -3.836
30 H SER 8 H SER 8 -7.572 16.888 -3.222
31 HA SER 8 HA SER 8 -9.046 14.355 -3.504
32 HB2 SER 8 1HB SER 8 -7.530 14.766 -5.363
33 HB3 SER 8 2HB SER 8 -6.191 15.035 -4.248
34 HG SER 8 HG SER 8 -6.221 12.905 -5.139
35 H GLY 9 H GLY 9 -6.042 15.623 -2.047
36 HA2 GLY 9 1HA GLY 9 -6.285 15.148 0.539
37 HA3 GLY 9 2HA GLY 9 -6.142 13.497 -0.044
38 H LYS 10 H LYS 10 -4.424 15.664 1.484
39 HA LYS 10 HA LYS 10 -2.004 15.704 -0.077
40 HB2 LYS 10 1HB LYS 10 -2.338 17.595 1.308
41 HB3 LYS 10 2HB LYS 10 -2.704 16.601 2.712
42 HG2 LYS 10 1HG LYS 10 -0.015 16.342 1.481
43 HG3 LYS 10 2HG LYS 10 -0.373 17.793 2.420
44 HD2 LYS 10 1HD LYS 10 -0.619 16.621 4.387
45 HD3 LYS 10 2HD LYS 10 -1.048 15.121 3.562
46 HE2 LYS 10 1HE LYS 10 1.398 15.246 2.667
47 HE3 LYS 10 2HE LYS 10 1.647 16.324 4.039
48 HZ1 LYS 10 3HZ LYS 10 1.804 13.624 4.119
49 HZ2 LYS 10 1HZ LYS 10 0.250 13.909 4.724
50 HZ3 LYS 10 2HZ LYS 10 1.590 14.628 5.464
51 H LYS 11 H LYS 11 -3.496 13.339 1.650
52 HA LYS 11 HA LYS 11 -1.406 12.195 3.157
53 HB2 LYS 11 1HB LYS 11 -3.759 10.824 1.840
54 HB3 LYS 11 2HB LYS 11 -2.756 10.143 3.115
55 HG2 LYS 11 1HG LYS 11 -3.572 11.666 4.713
56 HG3 LYS 11 2HG LYS 11 -4.299 12.694 3.476
57 HD2 LYS 11 1HD LYS 11 -5.930 10.986 2.960
58 HD3 LYS 11 2HD LYS 11 -5.156 9.864 4.083
59 HE2 LYS 11 1HE LYS 11 -7.052 10.757 5.197
60 HE3 LYS 11 2HE LYS 11 -5.633 11.526 5.907
61 HZ1 LYS 11 3HZ LYS 11 -6.853 12.912 3.662
62 HZ2 LYS 11 1HZ LYS 11 -6.202 13.532 5.095
63 HZ3 LYS 11 2HZ LYS 11 -7.761 12.876 5.089
64 HA PRO 12 HA PRO 12 1.228 10.502 0.063
65 HB2 PRO 12 1HB PRO 12 2.383 8.519 1.514
66 HB3 PRO 12 2HB PRO 12 2.773 10.228 1.742
67 HG2 PRO 12 1HG PRO 12 0.934 8.478 3.328
68 HG3 PRO 12 2HG PRO 12 2.113 9.672 3.901
69 HD2 PRO 12 1HD PRO 12 -0.538 10.200 3.749
70 HD3 PRO 12 2HD PRO 12 0.699 11.447 3.498
71 H TYR 13 H TYR 13 0.849 7.516 1.784
72 HA TYR 13 HA TYR 13 -0.497 6.371 -0.566
73 HB2 TYR 13 1HB TYR 13 1.360 5.189 1.489
74 HB3 TYR 13 2HB TYR 13 0.363 4.171 0.455
75 HD1 TYR 13 HD2 TYR 13 2.866 6.931 0.271
76 HD2 TYR 13 HD1 TYR 13 1.170 3.519 -1.622
77 HE1 TYR 13 HE2 TYR 13 4.568 7.074 -1.499
78 HE2 TYR 13 HE1 TYR 13 2.868 3.652 -3.397
79 HH TYR 13 HH TYR 13 5.526 5.950 -3.227
80 H GLU 14 H GLU 14 -1.552 4.101 0.307
81 HA GLU 14 HA GLU 14 -3.042 4.454 2.750
82 HB2 GLU 14 1HB GLU 14 -5.255 4.194 1.454
83 HB3 GLU 14 2HB GLU 14 -4.509 5.785 1.512
84 HG2 GLU 14 1HG GLU 14 -3.963 5.770 -0.699
85 HG3 GLU 14 2HG GLU 14 -3.834 4.014 -0.769
86 H CYS 15 H CYS 15 -3.098 2.507 3.631
87 HA CYS 15 HA CYS 15 -2.499 0.140 2.190
88 HB2 CYS 15 1HB CYS 15 -2.158 0.685 4.708
89 HB3 CYS 15 2HB CYS 15 -3.821 0.137 4.888
90 H LYS 16 H LYS 16 -3.957 -1.851 2.432
91 HA LYS 16 HA LYS 16 -6.671 -1.093 1.581
92 HB2 LYS 16 1HB LYS 16 -6.710 -3.308 0.441
93 HB3 LYS 16 2HB LYS 16 -5.473 -2.221 -0.176
94 HG2 LYS 16 1HG LYS 16 -3.759 -3.402 1.013
95 HG3 LYS 16 2HG LYS 16 -4.959 -4.407 1.829
96 HD2 LYS 16 1HD LYS 16 -5.669 -5.145 -0.514
97 HD3 LYS 16 2HD LYS 16 -4.160 -4.417 -1.069
98 HE2 LYS 16 1HE LYS 16 -2.888 -5.876 0.391
99 HE3 LYS 16 2HE LYS 16 -4.377 -6.555 1.048
100 HZ1 LYS 16 3HZ LYS 16 -4.067 -8.105 -0.516
101 HZ2 LYS 16 1HZ LYS 16 -3.021 -7.141 -1.433
102 HZ3 LYS 16 2HZ LYS 16 -4.695 -6.956 -1.587
103 H GLU 17 H GLU 17 -4.828 -2.896 3.879
104 HA GLU 17 HA GLU 17 -7.146 -4.382 4.825
105 HB2 GLU 17 1HB GLU 17 -4.468 -4.348 6.181
106 HB3 GLU 17 2HB GLU 17 -5.673 -5.628 6.149
107 HG2 GLU 17 1HG GLU 17 -5.189 -5.898 3.708
108 HG3 GLU 17 2HG GLU 17 -3.844 -4.779 3.921
109 H CYS 18 H CYS 18 -4.742 -2.179 6.277
110 HA CYS 18 HA CYS 18 -6.685 -1.513 8.366
111 HB2 CYS 18 1HB CYS 18 -4.773 -0.497 9.541
112 HB3 CYS 18 2HB CYS 18 -4.464 -2.182 9.135
113 H ARG 19 H ARG 19 -5.578 -0.351 5.428
114 HA ARG 19 HA ARG 19 -5.845 1.606 4.302
115 HB2 ARG 19 1HB ARG 19 -7.725 2.391 6.531
116 HB3 ARG 19 2HB ARG 19 -7.703 3.013 4.886
117 HG2 ARG 19 1HG ARG 19 -8.109 0.098 5.270
118 HG3 ARG 19 2HG ARG 19 -9.439 1.189 5.661
119 HD2 ARG 19 1HD ARG 19 -7.967 1.304 3.042
120 HD3 ARG 19 2HD ARG 19 -9.368 0.264 3.295
121 HE ARG 19 HE ARG 19 -9.366 3.116 2.954
122 HH11 ARG 19 1HH1 ARG 19 -11.092 0.394 4.269
123 HH12 ARG 19 2HH1 ARG 19 -12.633 1.186 4.229
124 HH21 ARG 19 1HH2 ARG 19 -11.388 4.169 2.896
125 HH22 ARG 19 2HH2 ARG 19 -12.800 3.333 3.447
126 H LYS 20 H LYS 20 -3.780 1.363 6.359
127 HA LYS 20 HA LYS 20 -3.571 3.991 7.559
128 HB2 LYS 20 1HB LYS 20 -2.793 1.995 8.777
129 HB3 LYS 20 2HB LYS 20 -1.604 1.693 7.516
130 HG2 LYS 20 1HG LYS 20 -0.551 3.867 8.043
131 HG3 LYS 20 2HG LYS 20 -1.696 4.062 9.373
132 HD2 LYS 20 1HD LYS 20 0.009 1.607 9.175
133 HD3 LYS 20 2HD LYS 20 0.658 3.097 9.864
134 HE2 LYS 20 1HE LYS 20 -0.863 3.077 11.635
135 HE3 LYS 20 2HE LYS 20 -1.949 1.959 10.812
136 HZ1 LYS 20 3HZ LYS 20 0.677 0.883 11.271
137 HZ2 LYS 20 1HZ LYS 20 -0.840 0.206 11.590
138 HZ3 LYS 20 2HZ LYS 20 -0.141 1.274 12.699
139 H THR 21 H THR 21 -2.138 5.591 6.995
140 HA THR 21 HA THR 21 -1.171 5.496 4.258
141 HB THR 21 HB THR 21 -0.692 7.879 4.526
142 HG1 THR 21 HG1 THR 21 -1.130 8.890 6.520
143 HG21 THR 21 3HG2 THR 21 -3.397 7.265 5.713
144 HG22 THR 21 1HG2 THR 21 -3.012 7.076 4.003
145 HG23 THR 21 2HG2 THR 21 -2.939 8.671 4.752
146 H PHE 22 H PHE 22 1.006 6.303 3.732
147 HA PHE 22 HA PHE 22 3.018 6.019 5.814
148 HB2 PHE 22 1HB PHE 22 2.963 4.257 3.356
149 HB3 PHE 22 2HB PHE 22 4.328 4.392 4.460
150 HD1 PHE 22 HD1 PHE 22 0.687 3.603 4.465
151 HD2 PHE 22 HD2 PHE 22 4.510 2.892 6.196
152 HE1 PHE 22 HE1 PHE 22 -0.283 1.831 5.870
153 HE2 PHE 22 HE2 PHE 22 3.547 1.118 7.602
154 HZ PHE 22 HZ PHE 22 1.148 0.585 7.440
155 H ILE 23 H ILE 23 4.275 7.737 5.601
156 HA ILE 23 HA ILE 23 4.321 9.474 3.436
157 HB ILE 23 HB ILE 23 6.528 9.043 5.452
158 HG12 ILE 23 1HG1 ILE 23 4.300 9.502 6.457
159 HG13 ILE 23 2HG1 ILE 23 5.464 10.789 6.755
160 HG21 ILE 23 1HG2 ILE 23 7.420 10.337 3.700
161 HG22 ILE 23 2HG2 ILE 23 5.934 11.270 3.525
162 HG23 ILE 23 3HG2 ILE 23 6.954 11.495 4.946
163 HD11 ILE 23 3HD1 ILE 23 2.898 11.028 5.702
164 HD12 ILE 23 1HD1 ILE 23 4.134 12.281 5.812
165 HD13 ILE 23 2HD1 ILE 23 3.991 11.309 4.347
166 H GLN 24 H GLN 24 6.430 6.738 4.175
167 HA GLN 24 HA GLN 24 7.742 7.105 1.567
168 HB2 GLN 24 1HB GLN 24 8.660 5.763 4.103
169 HB3 GLN 24 2HB GLN 24 9.461 5.494 2.560
170 HG2 GLN 24 1HG GLN 24 10.110 7.765 2.398
171 HG3 GLN 24 2HG GLN 24 9.071 8.226 3.746
172 HE21 GLN 24 1HE2 GLN 24 10.167 8.657 5.507
173 HE22 GLN 24 2HE2 GLN 24 11.617 7.878 6.030
174 H ILE 25 H ILE 25 7.819 5.443 0.099
175 HA ILE 25 HA ILE 25 5.711 3.556 0.161
176 HB ILE 25 HB ILE 25 6.531 4.400 -1.955
177 HG12 ILE 25 1HG1 ILE 25 7.145 2.053 -3.002
178 HG13 ILE 25 2HG1 ILE 25 6.716 1.467 -1.398
179 HG21 ILE 25 1HG2 ILE 25 9.014 2.808 -1.919
180 HG22 ILE 25 2HG2 ILE 25 8.680 4.378 -2.649
181 HG23 ILE 25 3HG2 ILE 25 9.005 4.260 -0.919
182 HD11 ILE 25 3HD1 ILE 25 4.968 2.954 -3.336
183 HD12 ILE 25 1HD1 ILE 25 4.794 1.292 -2.775
184 HD13 ILE 25 2HD1 ILE 25 4.521 2.632 -1.661
185 H GLY 26 H GLY 26 9.149 3.355 0.886
186 HA2 GLY 26 1HA GLY 26 9.463 0.585 0.950
187 HA3 GLY 26 2HA GLY 26 10.389 1.723 1.917
188 H HIS 27 H HIS 27 8.704 2.743 3.687
189 HA HIS 27 HA HIS 27 8.450 0.831 5.659
190 HB2 HIS 27 1HB HIS 27 7.176 3.509 5.233
191 HB3 HIS 27 2HB HIS 27 6.661 2.509 6.588
192 HD2 HIS 27 HD2 HIS 27 8.386 2.460 8.737
193 HE1 HIS 27 HE1 HIS 27 11.416 4.864 6.996
194 HE2 HIS 27 HE2 HIS 27 10.647 3.669 9.075
195 H LEU 28 H LEU 28 6.084 1.846 3.250
196 HA LEU 28 HA LEU 28 3.947 0.286 4.330
197 HB2 LEU 28 1HB LEU 28 3.419 2.208 3.013
198 HB3 LEU 28 2HB LEU 28 4.361 1.600 1.653
199 HG LEU 28 HG LEU 28 2.711 -0.231 1.387
200 HD11 LEU 28 1HD1 LEU 28 1.962 -0.033 3.828
201 HD12 LEU 28 2HD1 LEU 28 0.726 -0.339 2.608
202 HD13 LEU 28 3HD1 LEU 28 0.932 1.284 3.266
203 HD21 LEU 28 3HD2 LEU 28 1.055 1.097 0.305
204 HD22 LEU 28 1HD2 LEU 28 2.596 1.941 0.144
205 HD23 LEU 28 2HD2 LEU 28 1.412 2.487 1.332
206 H ASN 29 H ASN 29 6.279 -0.153 1.704
207 HA ASN 29 HA ASN 29 5.325 -2.442 0.523
208 HB2 ASN 29 1HB ASN 29 8.082 -1.368 0.970
209 HB3 ASN 29 2HB ASN 29 7.896 -2.982 0.288
210 HD21 ASN 29 1HD2 ASN 29 8.720 -0.178 -0.698
211 HD22 ASN 29 2HD2 ASN 29 7.879 -0.034 -2.201
212 H GLN 30 H GLN 30 7.452 -2.230 3.366
213 HA GLN 30 HA GLN 30 7.481 -5.057 3.788
214 HB2 GLN 30 1HB GLN 30 9.268 -3.418 4.523
215 HB3 GLN 30 2HB GLN 30 8.170 -2.922 5.805
216 HG2 GLN 30 1HG GLN 30 9.460 -4.457 6.899
217 HG3 GLN 30 2HG GLN 30 8.121 -5.468 6.358
218 HE21 GLN 30 1HE2 GLN 30 10.311 -6.773 6.993
219 HE22 GLN 30 2HE2 GLN 30 11.171 -7.316 5.596
220 H HIS 31 H HIS 31 5.645 -2.350 5.089
221 HA HIS 31 HA HIS 31 4.387 -3.709 7.203
222 HB2 HIS 31 1HB HIS 31 4.208 -1.378 7.292
223 HB3 HIS 31 2HB HIS 31 3.703 -1.257 5.609
224 HD1 HIS 31 HD1 HIS 31 2.400 -1.421 9.013
225 HD2 HIS 31 HD2 HIS 31 0.957 -2.133 5.182
226 HE1 HIS 31 HE1 HIS 31 -0.106 -1.438 9.231
227 H LYS 32 H LYS 32 3.742 -3.596 3.780
228 HA LYS 32 HA LYS 32 1.093 -4.495 3.752
229 HB2 LYS 32 1HB LYS 32 3.364 -4.565 1.818
230 HB3 LYS 32 2HB LYS 32 1.952 -5.557 1.475
231 HG2 LYS 32 1HG LYS 32 0.535 -3.676 1.357
232 HG3 LYS 32 2HG LYS 32 1.755 -2.620 2.073
233 HD2 LYS 32 1HD LYS 32 3.157 -2.875 0.098
234 HD3 LYS 32 2HD LYS 32 1.980 -3.982 -0.612
235 HE2 LYS 32 1HE LYS 32 0.481 -2.307 -1.072
236 HE3 LYS 32 2HE LYS 32 1.063 -1.279 0.236
237 HZ1 LYS 32 3HZ LYS 32 2.059 -0.162 -1.407
238 HZ2 LYS 32 1HZ LYS 32 1.941 -1.442 -2.507
239 HZ3 LYS 32 2HZ LYS 32 3.205 -1.406 -1.384
240 H ARG 33 H ARG 33 4.126 -6.351 3.596
241 HA ARG 33 HA ARG 33 2.795 -8.881 3.625
242 HB2 ARG 33 1HB ARG 33 5.042 -9.824 3.891
243 HB3 ARG 33 2HB ARG 33 5.003 -8.622 2.608
244 HG2 ARG 33 1HG ARG 33 6.039 -6.988 4.046
245 HG3 ARG 33 2HG ARG 33 5.978 -8.108 5.409
246 HD2 ARG 33 1HD ARG 33 7.531 -8.504 2.854
247 HD3 ARG 33 2HD ARG 33 8.207 -8.037 4.414
248 HE ARG 33 HE ARG 33 8.000 -10.219 5.136
249 HH11 ARG 33 1HH1 ARG 33 6.389 -9.807 2.077
250 HH12 ARG 33 2HH1 ARG 33 6.173 -11.506 1.814
251 HH21 ARG 33 1HH2 ARG 33 7.722 -12.458 4.801
252 HH22 ARG 33 2HH2 ARG 33 6.931 -13.013 3.365
253 H VAL 34 H VAL 34 4.372 -6.856 6.049
254 HA VAL 34 HA VAL 34 4.572 -8.497 8.207
255 HB VAL 34 HB VAL 34 3.573 -5.648 8.186
256 HG11 VAL 34 1HG1 VAL 34 3.313 -5.716 10.391
257 HG12 VAL 34 2HG1 VAL 34 3.526 -7.466 10.319
258 HG13 VAL 34 3HG1 VAL 34 4.916 -6.418 10.605
259 HG21 VAL 34 3HG2 VAL 34 5.722 -4.978 8.106
260 HG22 VAL 34 1HG2 VAL 34 6.277 -6.298 9.136
261 HG23 VAL 34 2HG2 VAL 34 6.001 -6.577 7.416
262 H HIS 35 H HIS 35 1.621 -6.947 7.019
263 HA HIS 35 HA HIS 35 -0.210 -7.370 8.935
264 HB2 HIS 35 1HB HIS 35 -0.335 -7.628 5.973
265 HB3 HIS 35 2HB HIS 35 -1.718 -8.212 6.894
266 HD1 HIS 35 HD1 HIS 35 -2.258 -6.179 8.930
267 HD2 HIS 35 HD2 HIS 35 -0.885 -5.125 5.153
268 HE1 HIS 35 HE1 HIS 35 -2.928 -3.775 8.617
269 H THR 36 H THR 36 1.024 -9.889 6.767
270 HA THR 36 HA THR 36 -0.585 -11.992 7.684
271 HB THR 36 HB THR 36 2.235 -12.183 6.606
272 HG1 THR 36 HG1 THR 36 0.789 -12.745 4.659
273 HG21 THR 36 3HG2 THR 36 1.441 -14.243 7.691
274 HG22 THR 36 1HG2 THR 36 1.606 -14.445 5.947
275 HG23 THR 36 2HG2 THR 36 0.009 -14.225 6.662
276 H GLY 37 H GLY 37 -0.721 -12.761 9.684
277 HA2 GLY 37 1HA GLY 37 1.730 -12.793 11.335
278 HA3 GLY 37 2HA GLY 37 0.108 -12.601 11.986
279 H GLU 38 H GLU 38 1.077 -14.420 13.342
280 HA GLU 38 HA GLU 38 1.543 -16.973 12.360
281 HB2 GLU 38 1HB GLU 38 0.279 -16.205 14.997
282 HB3 GLU 38 2HB GLU 38 0.979 -17.773 14.622
283 HG2 GLU 38 1HG GLU 38 2.408 -15.140 14.851
284 HG3 GLU 38 2HG GLU 38 2.558 -16.545 15.906
285 H ARG 39 H ARG 39 -1.507 -15.434 13.270
286 HA ARG 39 HA ARG 39 -3.679 -15.985 12.880
287 HB2 ARG 39 1HB ARG 39 -2.460 -17.619 10.645
288 HB3 ARG 39 2HB ARG 39 -4.169 -17.233 10.803
289 HG2 ARG 39 1HG ARG 39 -2.001 -15.164 10.543
290 HG3 ARG 39 2HG ARG 39 -2.920 -15.812 9.183
291 HD2 ARG 39 1HD ARG 39 -4.927 -14.874 9.950
292 HD3 ARG 39 2HD ARG 39 -4.281 -14.601 11.567
293 HE ARG 39 HE ARG 39 -2.934 -13.133 9.484
294 HH11 ARG 39 1HH1 ARG 39 -5.550 -13.142 11.782
295 HH12 ARG 39 2HH1 ARG 39 -5.679 -11.415 11.839
296 HH21 ARG 39 1HH2 ARG 39 -3.095 -10.858 9.551
297 HH22 ARG 39 2HH2 ARG 39 -4.283 -10.117 10.568
298 H SER 40 H SER 40 -2.386 -17.453 14.873
299 HA SER 40 HA SER 40 -3.928 -19.943 14.762
300 HB2 SER 40 1HB SER 40 -1.580 -20.495 14.194
301 HB3 SER 40 2HB SER 40 -1.060 -19.783 15.722
302 HG SER 40 HG SER 40 -2.522 -22.140 15.260
303 H SER 41 H SER 41 -5.409 -19.540 16.287
304 HA SER 41 HA SER 41 -4.453 -18.618 18.919
305 HB2 SER 41 1HB SER 41 -7.063 -18.053 17.505
306 HB3 SER 41 2HB SER 41 -6.816 -17.744 19.223
307 HG SER 41 HG SER 41 -5.211 -16.665 17.146
308 H GLY 42 H GLY 42 -4.122 -20.702 19.721
309 HA2 GLY 42 1HA GLY 42 -6.242 -21.905 21.058
310 HA3 GLY 42 2HA GLY 42 -6.041 -22.783 19.549
311 HA PRO 43 HA PRO 43 -3.126 -24.362 22.917
312 HB2 PRO 43 1HB PRO 43 -4.238 -26.825 23.189
313 HB3 PRO 43 2HB PRO 43 -4.745 -25.430 24.149
314 HG2 PRO 43 1HG PRO 43 -6.012 -26.610 21.707
315 HG3 PRO 43 2HG PRO 43 -6.780 -26.028 23.195
316 HD2 PRO 43 1HD PRO 43 -6.703 -24.556 20.924
317 HD3 PRO 43 2HD PRO 43 -6.667 -23.821 22.539
318 H SER 44 H SER 44 -4.018 -24.961 19.762
319 HA SER 44 HA SER 44 -2.256 -27.248 19.374
320 HB2 SER 44 1HB SER 44 -4.133 -25.736 17.562
321 HB3 SER 44 2HB SER 44 -2.992 -26.925 16.933
322 HG SER 44 HG SER 44 -4.064 -28.221 18.814
323 H SER 45 H SER 45 -0.238 -27.137 18.606
324 HA SER 45 HA SER 45 0.687 -24.854 17.096
325 HB2 SER 45 1HB SER 45 1.625 -25.389 19.908
326 HB3 SER 45 2HB SER 45 2.649 -24.553 18.742
327 HG SER 45 HG SER 45 0.029 -23.651 19.014
328 H GLY 46 H GLY 46 3.193 -25.129 16.754
329 HA2 GLY 46 1HA GLY 46 3.891 -27.978 16.595
330 HA3 GLY 46 2HA GLY 46 3.887 -27.027 15.117
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -23.932 10.375 -5.078
2 HA2 GLY 1 1HA GLY 1 -24.163 8.760 -7.539
3 HA3 GLY 1 2HA GLY 1 -24.153 10.517 -7.503
4 H SER 2 H SER 2 -22.037 8.118 -5.947
5 HA SER 2 HA SER 2 -19.740 8.175 -5.734
6 HB2 SER 2 1HB SER 2 -18.637 7.744 -7.938
7 HB3 SER 2 2HB SER 2 -20.053 6.733 -7.652
8 HG SER 2 HG SER 2 -21.239 8.308 -8.918
9 H SER 3 H SER 3 -20.710 10.753 -5.412
10 HA SER 3 HA SER 3 -19.043 12.493 -7.056
11 HB2 SER 3 1HB SER 3 -21.149 13.062 -4.963
12 HB3 SER 3 2HB SER 3 -20.189 14.324 -5.735
13 HG SER 3 HG SER 3 -22.392 13.190 -6.639
14 H GLY 4 H GLY 4 -17.206 13.440 -6.383
15 HA2 GLY 4 1HA GLY 4 -16.575 13.651 -3.562
16 HA3 GLY 4 2HA GLY 4 -15.576 12.513 -4.453
17 H SER 5 H SER 5 -14.214 14.443 -3.312
18 HA SER 5 HA SER 5 -13.153 15.922 -5.542
19 HB2 SER 5 1HB SER 5 -13.530 18.121 -4.773
20 HB3 SER 5 2HB SER 5 -15.088 17.317 -4.578
21 HG SER 5 HG SER 5 -14.628 18.423 -2.696
22 H SER 6 H SER 6 -11.330 17.450 -4.651
23 HA SER 6 HA SER 6 -9.974 16.113 -2.408
24 HB2 SER 6 1HB SER 6 -9.104 15.383 -4.677
25 HB3 SER 6 2HB SER 6 -8.546 17.041 -4.905
26 HG SER 6 HG SER 6 -7.816 15.403 -2.707
27 H GLY 7 H GLY 7 -8.456 17.405 -1.255
28 HA2 GLY 7 1HA GLY 7 -9.096 20.266 -1.415
29 HA3 GLY 7 2HA GLY 7 -8.421 19.440 -0.018
30 H SER 8 H SER 8 -6.504 20.326 0.385
31 HA SER 8 HA SER 8 -4.725 20.920 -1.880
32 HB2 SER 8 1HB SER 8 -4.768 21.995 0.946
33 HB3 SER 8 2HB SER 8 -3.488 22.344 -0.214
34 HG SER 8 HG SER 8 -6.112 22.783 -1.036
35 H GLY 9 H GLY 9 -4.708 19.552 1.406
36 HA2 GLY 9 1HA GLY 9 -2.053 18.483 1.100
37 HA3 GLY 9 2HA GLY 9 -3.145 18.200 2.448
38 H LYS 10 H LYS 10 -1.631 16.793 -0.150
39 HA LYS 10 HA LYS 10 -3.656 14.677 -0.402
40 HB2 LYS 10 1HB LYS 10 -2.124 13.980 -2.366
41 HB3 LYS 10 2HB LYS 10 -3.149 15.396 -2.561
42 HG2 LYS 10 1HG LYS 10 -0.392 15.804 -1.540
43 HG3 LYS 10 2HG LYS 10 -0.603 15.410 -3.247
44 HD2 LYS 10 1HD LYS 10 -2.451 17.300 -3.077
45 HD3 LYS 10 2HD LYS 10 -1.438 17.829 -1.731
46 HE2 LYS 10 1HE LYS 10 0.513 17.607 -3.393
47 HE3 LYS 10 2HE LYS 10 -0.736 17.581 -4.637
48 HZ1 LYS 10 3HZ LYS 10 -1.253 19.747 -4.296
49 HZ2 LYS 10 1HZ LYS 10 0.367 19.813 -3.812
50 HZ3 LYS 10 2HZ LYS 10 -0.860 19.719 -2.651
51 H LYS 11 H LYS 11 -3.334 13.102 1.030
52 HA LYS 11 HA LYS 11 -0.944 12.519 2.348
53 HB2 LYS 11 1HB LYS 11 -3.519 11.065 1.931
54 HB3 LYS 11 2HB LYS 11 -2.158 10.180 2.609
55 HG2 LYS 11 1HG LYS 11 -2.062 12.290 4.207
56 HG3 LYS 11 2HG LYS 11 -3.772 12.374 3.776
57 HD2 LYS 11 1HD LYS 11 -4.162 10.167 4.599
58 HD3 LYS 11 2HD LYS 11 -2.433 9.877 4.804
59 HE2 LYS 11 1HE LYS 11 -3.540 10.348 6.940
60 HE3 LYS 11 2HE LYS 11 -2.334 11.572 6.543
61 HZ1 LYS 11 3HZ LYS 11 -3.907 13.158 6.238
62 HZ2 LYS 11 1HZ LYS 11 -4.741 12.206 7.360
63 HZ3 LYS 11 2HZ LYS 11 -5.091 12.070 5.711
64 HA PRO 12 HA PRO 12 1.473 10.087 -0.390
65 HB2 PRO 12 1HB PRO 12 2.480 8.180 1.260
66 HB3 PRO 12 2HB PRO 12 3.004 9.868 1.309
67 HG2 PRO 12 1HG PRO 12 1.046 8.440 3.067
68 HG3 PRO 12 2HG PRO 12 2.318 9.591 3.514
69 HD2 PRO 12 1HD PRO 12 -0.285 10.306 3.306
70 HD3 PRO 12 2HD PRO 12 1.044 11.421 2.928
71 H TYR 13 H TYR 13 0.875 7.334 1.631
72 HA TYR 13 HA TYR 13 -0.749 6.132 -0.516
73 HB2 TYR 13 1HB TYR 13 1.271 4.809 1.306
74 HB3 TYR 13 2HB TYR 13 0.232 3.950 0.174
75 HD1 TYR 13 HD2 TYR 13 3.120 6.189 0.502
76 HD2 TYR 13 HD1 TYR 13 0.665 4.009 -2.204
77 HE1 TYR 13 HE2 TYR 13 4.795 6.513 -1.270
78 HE2 TYR 13 HE1 TYR 13 2.333 4.325 -3.982
79 HH TYR 13 HH TYR 13 5.331 5.007 -3.591
80 H GLU 14 H GLU 14 -1.920 4.082 0.391
81 HA GLU 14 HA GLU 14 -2.847 4.383 3.121
82 HB2 GLU 14 1HB GLU 14 -5.239 4.485 2.426
83 HB3 GLU 14 2HB GLU 14 -4.325 5.934 2.034
84 HG2 GLU 14 1HG GLU 14 -4.059 5.040 -0.283
85 HG3 GLU 14 2HG GLU 14 -5.174 3.748 0.155
86 H CYS 15 H CYS 15 -2.883 2.402 3.926
87 HA CYS 15 HA CYS 15 -2.614 0.057 2.455
88 HB2 CYS 15 1HB CYS 15 -2.340 0.585 5.033
89 HB3 CYS 15 2HB CYS 15 -3.988 -0.030 5.108
90 H LYS 16 H LYS 16 -4.290 -1.840 2.886
91 HA LYS 16 HA LYS 16 -6.889 -0.871 1.891
92 HB2 LYS 16 1HB LYS 16 -5.680 -2.193 0.236
93 HB3 LYS 16 2HB LYS 16 -5.495 -3.508 1.389
94 HG2 LYS 16 1HG LYS 16 -7.246 -4.140 -0.046
95 HG3 LYS 16 2HG LYS 16 -8.015 -3.635 1.460
96 HD2 LYS 16 1HD LYS 16 -8.154 -1.312 0.280
97 HD3 LYS 16 2HD LYS 16 -7.950 -2.260 -1.194
98 HE2 LYS 16 1HE LYS 16 -9.940 -3.452 -0.830
99 HE3 LYS 16 2HE LYS 16 -10.026 -2.958 0.860
100 HZ1 LYS 16 3HZ LYS 16 -10.053 -0.766 -1.013
101 HZ2 LYS 16 1HZ LYS 16 -11.043 -1.057 0.328
102 HZ3 LYS 16 2HZ LYS 16 -11.385 -1.799 -1.152
103 H GLU 17 H GLU 17 -5.282 -3.114 4.075
104 HA GLU 17 HA GLU 17 -7.783 -4.133 5.111
105 HB2 GLU 17 1HB GLU 17 -5.992 -5.701 5.038
106 HB3 GLU 17 2HB GLU 17 -4.898 -4.592 5.852
107 HG2 GLU 17 1HG GLU 17 -5.433 -6.064 7.532
108 HG3 GLU 17 2HG GLU 17 -6.580 -4.755 7.811
109 H CYS 18 H CYS 18 -4.991 -2.727 6.819
110 HA CYS 18 HA CYS 18 -6.633 -1.820 8.976
111 HB2 CYS 18 1HB CYS 18 -4.607 -0.979 9.948
112 HB3 CYS 18 2HB CYS 18 -4.237 -2.532 9.205
113 H ARG 19 H ARG 19 -5.652 -0.500 5.969
114 HA ARG 19 HA ARG 19 -6.062 1.487 4.942
115 HB2 ARG 19 1HB ARG 19 -7.935 1.939 7.274
116 HB3 ARG 19 2HB ARG 19 -7.912 2.871 5.783
117 HG2 ARG 19 1HG ARG 19 -8.377 -0.092 5.796
118 HG3 ARG 19 2HG ARG 19 -9.688 1.069 6.011
119 HD2 ARG 19 1HD ARG 19 -7.807 1.340 3.704
120 HD3 ARG 19 2HD ARG 19 -9.126 0.172 3.633
121 HE ARG 19 HE ARG 19 -10.359 2.463 4.380
122 HH11 ARG 19 1HH1 ARG 19 -8.206 1.636 1.772
123 HH12 ARG 19 2HH1 ARG 19 -8.873 2.801 0.678
124 HH21 ARG 19 1HH2 ARG 19 -11.247 4.001 2.948
125 HH22 ARG 19 2HH2 ARG 19 -10.602 4.147 1.348
126 H LYS 20 H LYS 20 -3.759 1.428 6.344
127 HA LYS 20 HA LYS 20 -3.653 4.016 7.746
128 HB2 LYS 20 1HB LYS 20 -2.931 1.903 8.970
129 HB3 LYS 20 2HB LYS 20 -1.564 1.843 7.865
130 HG2 LYS 20 1HG LYS 20 -1.051 4.218 8.649
131 HG3 LYS 20 2HG LYS 20 -2.186 3.892 9.962
132 HD2 LYS 20 1HD LYS 20 -0.854 2.148 10.818
133 HD3 LYS 20 2HD LYS 20 0.113 2.056 9.345
134 HE2 LYS 20 1HE LYS 20 1.538 3.191 10.750
135 HE3 LYS 20 2HE LYS 20 0.722 4.526 9.937
136 HZ1 LYS 20 3HZ LYS 20 -0.219 5.192 11.831
137 HZ2 LYS 20 1HZ LYS 20 0.929 4.225 12.612
138 HZ3 LYS 20 2HZ LYS 20 -0.622 3.622 12.315
139 H THR 21 H THR 21 -2.346 5.610 7.016
140 HA THR 21 HA THR 21 -1.175 5.255 4.381
141 HB THR 21 HB THR 21 -0.953 7.638 4.291
142 HG1 THR 21 HG1 THR 21 -1.785 7.756 7.012
143 HG21 THR 21 3HG2 THR 21 -3.140 7.434 3.777
144 HG22 THR 21 1HG2 THR 21 -3.393 8.203 5.343
145 HG23 THR 21 2HG2 THR 21 -3.486 6.448 5.197
146 H PHE 22 H PHE 22 0.981 6.253 3.937
147 HA PHE 22 HA PHE 22 2.834 6.201 6.188
148 HB2 PHE 22 1HB PHE 22 3.101 4.413 3.764
149 HB3 PHE 22 2HB PHE 22 4.385 4.693 4.935
150 HD1 PHE 22 HD1 PHE 22 0.825 3.597 4.796
151 HD2 PHE 22 HD2 PHE 22 4.622 3.218 6.682
152 HE1 PHE 22 HE1 PHE 22 -0.052 1.766 6.186
153 HE2 PHE 22 HE2 PHE 22 3.752 1.386 8.074
154 HZ PHE 22 HZ PHE 22 1.412 0.657 7.827
155 H ILE 23 H ILE 23 4.492 7.607 5.971
156 HA ILE 23 HA ILE 23 4.386 9.564 3.932
157 HB ILE 23 HB ILE 23 6.605 8.999 5.903
158 HG12 ILE 23 1HG1 ILE 23 4.640 11.240 6.160
159 HG13 ILE 23 2HG1 ILE 23 4.147 9.620 6.641
160 HG21 ILE 23 1HG2 ILE 23 7.469 10.323 4.112
161 HG22 ILE 23 2HG2 ILE 23 6.058 11.379 4.141
162 HG23 ILE 23 3HG2 ILE 23 7.195 11.390 5.489
163 HD11 ILE 23 3HD1 ILE 23 4.967 10.239 8.628
164 HD12 ILE 23 1HD1 ILE 23 6.520 9.815 7.909
165 HD13 ILE 23 2HD1 ILE 23 5.989 11.497 7.932
166 H GLN 24 H GLN 24 6.513 6.796 4.495
167 HA GLN 24 HA GLN 24 7.804 7.305 1.904
168 HB2 GLN 24 1HB GLN 24 8.668 5.782 4.348
169 HB3 GLN 24 2HB GLN 24 9.434 5.509 2.789
170 HG2 GLN 24 1HG GLN 24 10.361 7.625 2.724
171 HG3 GLN 24 2HG GLN 24 9.208 8.276 3.888
172 HE21 GLN 24 1HE2 GLN 24 11.083 9.134 4.963
173 HE22 GLN 24 2HE2 GLN 24 11.998 8.127 6.029
174 H ILE 25 H ILE 25 8.079 5.588 0.413
175 HA ILE 25 HA ILE 25 5.818 3.847 0.245
176 HB ILE 25 HB ILE 25 6.777 4.803 -1.777
177 HG12 ILE 25 1HG1 ILE 25 7.061 2.655 -3.086
178 HG13 ILE 25 2HG1 ILE 25 6.979 1.797 -1.552
179 HG21 ILE 25 1HG2 ILE 25 9.141 3.026 -1.728
180 HG22 ILE 25 2HG2 ILE 25 8.943 4.634 -2.423
181 HG23 ILE 25 3HG2 ILE 25 9.188 4.448 -0.687
182 HD11 ILE 25 3HD1 ILE 25 4.861 2.657 -3.210
183 HD12 ILE 25 1HD1 ILE 25 4.777 1.796 -1.673
184 HD13 ILE 25 2HD1 ILE 25 4.764 3.560 -1.698
185 H GLY 26 H GLY 26 9.252 3.427 0.965
186 HA2 GLY 26 1HA GLY 26 9.376 0.638 0.926
187 HA3 GLY 26 2HA GLY 26 10.400 1.677 1.906
188 H HIS 27 H HIS 27 8.796 2.760 3.732
189 HA HIS 27 HA HIS 27 8.475 0.825 5.667
190 HB2 HIS 27 1HB HIS 27 8.387 3.453 5.781
191 HB3 HIS 27 2HB HIS 27 6.648 3.196 5.677
192 HD2 HIS 27 HD2 HIS 27 9.306 1.313 7.942
193 HE1 HIS 27 HE1 HIS 27 6.123 2.757 10.347
194 HE2 HIS 27 HE2 HIS 27 8.324 1.532 10.325
195 H LEU 28 H LEU 28 6.178 1.920 3.247
196 HA LEU 28 HA LEU 28 3.954 0.488 4.345
197 HB2 LEU 28 1HB LEU 28 3.490 2.410 3.027
198 HB3 LEU 28 2HB LEU 28 4.448 1.794 1.681
199 HG LEU 28 HG LEU 28 2.753 0.000 1.372
200 HD11 LEU 28 1HD1 LEU 28 1.710 -0.247 3.441
201 HD12 LEU 28 2HD1 LEU 28 0.492 0.553 2.449
202 HD13 LEU 28 3HD1 LEU 28 1.431 1.486 3.615
203 HD21 LEU 28 3HD2 LEU 28 2.732 2.566 0.480
204 HD22 LEU 28 1HD2 LEU 28 1.126 2.435 1.197
205 HD23 LEU 28 2HD2 LEU 28 1.623 1.305 -0.063
206 H ASN 29 H ASN 29 6.266 -0.079 1.726
207 HA ASN 29 HA ASN 29 5.174 -2.358 0.603
208 HB2 ASN 29 1HB ASN 29 7.946 -1.287 0.859
209 HB3 ASN 29 2HB ASN 29 7.751 -2.945 0.298
210 HD21 ASN 29 1HD2 ASN 29 8.348 -0.059 -0.827
211 HD22 ASN 29 2HD2 ASN 29 7.496 -0.083 -2.329
212 H GLN 30 H GLN 30 7.359 -2.099 3.387
213 HA GLN 30 HA GLN 30 7.394 -4.930 3.847
214 HB2 GLN 30 1HB GLN 30 9.172 -3.149 4.494
215 HB3 GLN 30 2HB GLN 30 8.156 -2.881 5.904
216 HG2 GLN 30 1HG GLN 30 8.342 -5.503 6.104
217 HG3 GLN 30 2HG GLN 30 9.816 -5.230 5.176
218 HE21 GLN 30 1HE2 GLN 30 8.199 -4.756 8.198
219 HE22 GLN 30 2HE2 GLN 30 9.572 -4.194 9.084
220 H HIS 31 H HIS 31 5.549 -2.201 5.022
221 HA HIS 31 HA HIS 31 4.367 -3.546 7.238
222 HB2 HIS 31 1HB HIS 31 4.263 -1.240 7.459
223 HB3 HIS 31 2HB HIS 31 3.831 -0.993 5.770
224 HD1 HIS 31 HD1 HIS 31 2.347 -1.814 9.106
225 HD2 HIS 31 HD2 HIS 31 1.098 -1.101 5.208
226 HE1 HIS 31 HE1 HIS 31 -0.149 -1.536 9.240
227 H LYS 32 H LYS 32 3.874 -3.706 3.885
228 HA LYS 32 HA LYS 32 1.100 -4.564 4.089
229 HB2 LYS 32 1HB LYS 32 2.982 -4.016 1.821
230 HB3 LYS 32 2HB LYS 32 1.533 -4.973 1.540
231 HG2 LYS 32 1HG LYS 32 0.299 -3.002 2.669
232 HG3 LYS 32 2HG LYS 32 1.775 -2.099 2.321
233 HD2 LYS 32 1HD LYS 32 1.541 -2.427 -0.008
234 HD3 LYS 32 2HD LYS 32 0.302 -3.664 0.216
235 HE2 LYS 32 1HE LYS 32 -1.342 -2.130 0.661
236 HE3 LYS 32 2HE LYS 32 -0.208 -0.934 1.285
237 HZ1 LYS 32 3HZ LYS 32 -1.332 -0.993 -1.226
238 HZ2 LYS 32 1HZ LYS 32 0.278 -1.457 -1.462
239 HZ3 LYS 32 2HZ LYS 32 -0.076 0.011 -0.701
240 H ARG 33 H ARG 33 4.296 -5.909 3.576
241 HA ARG 33 HA ARG 33 3.375 -8.522 2.858
242 HB2 ARG 33 1HB ARG 33 5.605 -9.113 2.691
243 HB3 ARG 33 2HB ARG 33 5.678 -7.380 2.399
244 HG2 ARG 33 1HG ARG 33 6.447 -6.962 4.615
245 HG3 ARG 33 2HG ARG 33 6.154 -8.636 5.090
246 HD2 ARG 33 1HD ARG 33 7.975 -8.124 2.797
247 HD3 ARG 33 2HD ARG 33 8.565 -7.770 4.421
248 HE ARG 33 HE ARG 33 8.079 -10.367 3.275
249 HH11 ARG 33 1HH1 ARG 33 8.407 -8.533 6.216
250 HH12 ARG 33 2HH1 ARG 33 8.848 -9.906 7.177
251 HH21 ARG 33 1HH2 ARG 33 8.658 -12.182 4.529
252 HH22 ARG 33 2HH2 ARG 33 8.991 -11.981 6.216
253 H VAL 34 H VAL 34 4.450 -6.963 5.835
254 HA VAL 34 HA VAL 34 4.588 -9.241 7.463
255 HB VAL 34 HB VAL 34 4.224 -7.659 9.368
256 HG11 VAL 34 1HG1 VAL 34 6.374 -6.937 9.270
257 HG12 VAL 34 2HG1 VAL 34 6.417 -8.046 7.897
258 HG13 VAL 34 3HG1 VAL 34 6.208 -6.315 7.628
259 HG21 VAL 34 3HG2 VAL 34 4.390 -5.173 8.499
260 HG22 VAL 34 1HG2 VAL 34 3.558 -5.852 7.100
261 HG23 VAL 34 2HG2 VAL 34 2.829 -5.969 8.702
262 H HIS 35 H HIS 35 1.881 -7.210 6.519
263 HA HIS 35 HA HIS 35 -0.057 -7.893 8.326
264 HB2 HIS 35 1HB HIS 35 -0.094 -7.201 5.432
265 HB3 HIS 35 2HB HIS 35 -1.572 -7.864 6.123
266 HD1 HIS 35 HD1 HIS 35 -1.382 -6.448 8.903
267 HD2 HIS 35 HD2 HIS 35 -0.876 -4.583 5.226
268 HE1 HIS 35 HE1 HIS 35 -1.892 -4.019 9.306
269 H THR 36 H THR 36 0.615 -9.653 5.296
270 HA THR 36 HA THR 36 -1.151 -11.783 5.817
271 HB THR 36 HB THR 36 0.191 -13.029 4.096
272 HG1 THR 36 HG1 THR 36 2.210 -12.291 4.094
273 HG21 THR 36 3HG2 THR 36 -0.317 -11.406 2.244
274 HG22 THR 36 1HG2 THR 36 -0.747 -10.229 3.484
275 HG23 THR 36 2HG2 THR 36 -1.663 -11.729 3.337
276 H GLY 37 H GLY 37 2.381 -11.537 6.239
277 HA2 GLY 37 1HA GLY 37 3.549 -12.456 8.084
278 HA3 GLY 37 2HA GLY 37 2.193 -13.535 8.373
279 H GLU 38 H GLU 38 4.372 -14.851 8.552
280 HA GLU 38 HA GLU 38 5.808 -15.671 6.345
281 HB2 GLU 38 1HB GLU 38 5.057 -17.008 8.914
282 HB3 GLU 38 2HB GLU 38 5.877 -17.942 7.670
283 HG2 GLU 38 1HG GLU 38 7.668 -16.199 7.660
284 HG3 GLU 38 2HG GLU 38 6.881 -15.474 9.061
285 H ARG 39 H ARG 39 5.670 -17.519 4.978
286 HA ARG 39 HA ARG 39 3.096 -18.868 4.786
287 HB2 ARG 39 1HB ARG 39 2.854 -18.351 2.397
288 HB3 ARG 39 2HB ARG 39 2.795 -16.896 3.382
289 HG2 ARG 39 1HG ARG 39 5.164 -16.469 2.825
290 HG3 ARG 39 2HG ARG 39 5.133 -17.874 1.758
291 HD2 ARG 39 1HD ARG 39 3.148 -15.647 1.457
292 HD3 ARG 39 2HD ARG 39 4.753 -15.540 0.736
293 HE ARG 39 HE ARG 39 3.446 -17.984 0.067
294 HH11 ARG 39 1HH1 ARG 39 3.616 -14.595 -0.713
295 HH12 ARG 39 2HH1 ARG 39 3.074 -14.810 -2.344
296 HH21 ARG 39 1HH2 ARG 39 2.731 -18.279 -2.078
297 HH22 ARG 39 2HH2 ARG 39 2.570 -16.906 -3.120
298 H SER 40 H SER 40 3.151 -20.786 3.523
299 HA SER 40 HA SER 40 5.697 -21.654 2.431
300 HB2 SER 40 1HB SER 40 4.408 -23.004 4.810
301 HB3 SER 40 2HB SER 40 5.643 -23.768 3.809
302 HG SER 40 HG SER 40 7.056 -22.722 4.936
303 H SER 41 H SER 41 5.508 -23.288 0.929
304 HA SER 41 HA SER 41 2.749 -23.997 0.204
305 HB2 SER 41 1HB SER 41 3.700 -24.480 -2.053
306 HB3 SER 41 2HB SER 41 3.922 -22.804 -1.552
307 HG SER 41 HG SER 41 6.064 -23.390 -0.919
308 H GLY 42 H GLY 42 2.246 -25.881 1.164
309 HA2 GLY 42 1HA GLY 42 2.207 -28.194 1.320
310 HA3 GLY 42 2HA GLY 42 3.663 -28.253 0.337
311 HA PRO 43 HA PRO 43 4.596 -29.254 4.842
312 HB2 PRO 43 1HB PRO 43 5.472 -31.789 4.418
313 HB3 PRO 43 2HB PRO 43 3.780 -31.400 4.747
314 HG2 PRO 43 1HG PRO 43 5.126 -31.936 2.127
315 HG3 PRO 43 2HG PRO 43 3.554 -32.508 2.715
316 HD2 PRO 43 1HD PRO 43 3.799 -30.429 0.997
317 HD3 PRO 43 2HD PRO 43 2.500 -30.523 2.203
318 H SER 44 H SER 44 6.316 -27.775 4.670
319 HA SER 44 HA SER 44 8.753 -28.704 3.336
320 HB2 SER 44 1HB SER 44 9.572 -26.395 3.688
321 HB3 SER 44 2HB SER 44 8.045 -26.425 2.807
322 HG SER 44 HG SER 44 7.700 -24.936 4.338
323 H SER 45 H SER 45 9.358 -30.294 4.847
324 HA SER 45 HA SER 45 10.240 -29.242 7.455
325 HB2 SER 45 1HB SER 45 9.356 -32.028 6.681
326 HB3 SER 45 2HB SER 45 10.121 -31.641 8.222
327 HG SER 45 HG SER 45 8.369 -30.093 8.504
328 H GLY 46 H GLY 46 11.844 -28.869 5.222
329 HA2 GLY 46 1HA GLY 46 14.197 -30.366 6.039
330 HA3 GLY 46 2HA GLY 46 13.681 -30.621 4.379
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -15.681 4.173 -15.375
2 HA2 GLY 1 1HA GLY 1 -17.745 6.223 -15.884
3 HA3 GLY 1 2HA GLY 1 -18.033 4.894 -14.771
4 H SER 2 H SER 2 -16.119 4.690 -13.102
5 HA SER 2 HA SER 2 -16.254 6.954 -11.454
6 HB2 SER 2 1HB SER 2 -14.641 5.806 -10.026
7 HB3 SER 2 2HB SER 2 -15.835 4.655 -10.625
8 HG SER 2 HG SER 2 -14.229 3.579 -11.418
9 H SER 3 H SER 3 -14.627 8.426 -10.794
10 HA SER 3 HA SER 3 -12.290 8.678 -12.537
11 HB2 SER 3 1HB SER 3 -12.718 11.048 -12.948
12 HB3 SER 3 2HB SER 3 -14.069 10.080 -13.537
13 HG SER 3 HG SER 3 -15.191 10.618 -11.622
14 H GLY 4 H GLY 4 -10.762 10.380 -11.712
15 HA2 GLY 4 1HA GLY 4 -10.882 10.478 -8.760
16 HA3 GLY 4 2HA GLY 4 -9.391 10.211 -9.652
17 H SER 5 H SER 5 -11.891 12.566 -8.889
18 HA SER 5 HA SER 5 -10.360 14.731 -10.072
19 HB2 SER 5 1HB SER 5 -12.236 16.143 -9.501
20 HB3 SER 5 2HB SER 5 -12.860 14.651 -10.204
21 HG SER 5 HG SER 5 -13.306 15.696 -7.762
22 H SER 6 H SER 6 -8.804 15.743 -9.012
23 HA SER 6 HA SER 6 -7.875 15.278 -6.513
24 HB2 SER 6 1HB SER 6 -6.944 16.832 -8.367
25 HB3 SER 6 2HB SER 6 -7.867 18.099 -7.559
26 HG SER 6 HG SER 6 -5.488 17.127 -6.898
27 H GLY 7 H GLY 7 -8.157 16.091 -4.442
28 HA2 GLY 7 1HA GLY 7 -10.289 18.016 -3.953
29 HA3 GLY 7 2HA GLY 7 -10.552 16.396 -3.324
30 H SER 8 H SER 8 -10.559 17.086 -1.180
31 HA SER 8 HA SER 8 -8.209 18.438 -0.132
32 HB2 SER 8 1HB SER 8 -10.220 19.240 0.817
33 HB3 SER 8 2HB SER 8 -10.849 17.611 1.067
34 HG SER 8 HG SER 8 -9.794 18.942 2.896
35 H GLY 9 H GLY 9 -6.759 17.570 1.332
36 HA2 GLY 9 1HA GLY 9 -5.979 15.856 2.799
37 HA3 GLY 9 2HA GLY 9 -7.033 14.716 1.975
38 H LYS 10 H LYS 10 -3.950 16.297 1.967
39 HA LYS 10 HA LYS 10 -3.155 14.924 -0.492
40 HB2 LYS 10 1HB LYS 10 -1.114 16.285 -0.358
41 HB3 LYS 10 2HB LYS 10 -2.560 17.284 -0.322
42 HG2 LYS 10 1HG LYS 10 -2.243 17.081 2.278
43 HG3 LYS 10 2HG LYS 10 -0.572 16.741 1.821
44 HD2 LYS 10 1HD LYS 10 -0.747 19.089 2.196
45 HD3 LYS 10 2HD LYS 10 -0.617 18.843 0.453
46 HE2 LYS 10 1HE LYS 10 -2.906 19.275 0.118
47 HE3 LYS 10 2HE LYS 10 -3.272 19.104 1.834
48 HZ1 LYS 10 3HZ LYS 10 -1.568 21.265 0.728
49 HZ2 LYS 10 1HZ LYS 10 -2.174 21.141 2.303
50 HZ3 LYS 10 2HZ LYS 10 -3.227 21.434 1.013
51 H LYS 11 H LYS 11 -3.389 12.859 0.755
52 HA LYS 11 HA LYS 11 -1.200 12.316 2.608
53 HB2 LYS 11 1HB LYS 11 -3.341 10.394 1.703
54 HB3 LYS 11 2HB LYS 11 -2.325 10.279 3.134
55 HG2 LYS 11 1HG LYS 11 -4.307 12.498 2.721
56 HG3 LYS 11 2HG LYS 11 -4.715 10.975 3.516
57 HD2 LYS 11 1HD LYS 11 -4.141 12.217 5.345
58 HD3 LYS 11 2HD LYS 11 -2.556 11.559 4.934
59 HE2 LYS 11 1HE LYS 11 -2.390 13.716 3.455
60 HE3 LYS 11 2HE LYS 11 -3.630 14.317 4.553
61 HZ1 LYS 11 3HZ LYS 11 -2.186 13.959 6.405
62 HZ2 LYS 11 1HZ LYS 11 -1.336 14.854 5.248
63 HZ3 LYS 11 2HZ LYS 11 -1.025 13.202 5.435
64 HA PRO 12 HA PRO 12 1.390 10.322 -0.325
65 HB2 PRO 12 1HB PRO 12 2.569 8.438 1.234
66 HB3 PRO 12 2HB PRO 12 2.952 10.159 1.352
67 HG2 PRO 12 1HG PRO 12 1.137 8.501 3.060
68 HG3 PRO 12 2HG PRO 12 2.315 9.734 3.547
69 HD2 PRO 12 1HD PRO 12 -0.341 10.238 3.389
70 HD3 PRO 12 2HD PRO 12 0.887 11.474 3.050
71 H TYR 13 H TYR 13 1.043 7.446 1.580
72 HA TYR 13 HA TYR 13 -0.348 6.161 -0.672
73 HB2 TYR 13 1HB TYR 13 1.546 5.054 1.401
74 HB3 TYR 13 2HB TYR 13 0.594 4.028 0.333
75 HD1 TYR 13 HD2 TYR 13 3.203 6.664 0.377
76 HD2 TYR 13 HD1 TYR 13 1.305 3.590 -1.871
77 HE1 TYR 13 HE2 TYR 13 4.943 6.860 -1.350
78 HE2 TYR 13 HE1 TYR 13 3.040 3.778 -3.604
79 HH TYR 13 HH TYR 13 5.637 6.185 -3.349
80 H GLU 14 H GLU 14 -1.646 4.175 0.035
81 HA GLU 14 HA GLU 14 -2.938 4.506 2.630
82 HB2 GLU 14 1HB GLU 14 -4.104 5.794 0.631
83 HB3 GLU 14 2HB GLU 14 -4.741 4.195 0.274
84 HG2 GLU 14 1HG GLU 14 -4.959 5.203 3.057
85 HG3 GLU 14 2HG GLU 14 -6.023 5.887 1.830
86 H CYS 15 H CYS 15 -3.282 2.595 3.554
87 HA CYS 15 HA CYS 15 -2.753 0.177 2.077
88 HB2 CYS 15 1HB CYS 15 -2.190 0.812 4.586
89 HB3 CYS 15 2HB CYS 15 -3.787 0.132 4.878
90 H LYS 16 H LYS 16 -4.227 -1.739 2.381
91 HA LYS 16 HA LYS 16 -6.994 -0.890 1.873
92 HB2 LYS 16 1HB LYS 16 -7.251 -3.088 0.758
93 HB3 LYS 16 2HB LYS 16 -5.999 -2.094 0.024
94 HG2 LYS 16 1HG LYS 16 -4.303 -3.372 1.300
95 HG3 LYS 16 2HG LYS 16 -5.594 -4.423 1.888
96 HD2 LYS 16 1HD LYS 16 -5.350 -3.999 -1.047
97 HD3 LYS 16 2HD LYS 16 -4.166 -5.040 -0.253
98 HE2 LYS 16 1HE LYS 16 -7.149 -5.369 0.021
99 HE3 LYS 16 2HE LYS 16 -6.171 -6.230 -1.166
100 HZ1 LYS 16 3HZ LYS 16 -6.361 -6.615 1.711
101 HZ2 LYS 16 1HZ LYS 16 -4.818 -6.785 1.038
102 HZ3 LYS 16 2HZ LYS 16 -6.094 -7.746 0.482
103 H GLU 17 H GLU 17 -4.996 -2.996 3.831
104 HA GLU 17 HA GLU 17 -7.214 -4.341 5.068
105 HB2 GLU 17 1HB GLU 17 -5.187 -5.572 4.952
106 HB3 GLU 17 2HB GLU 17 -4.259 -4.251 5.649
107 HG2 GLU 17 1HG GLU 17 -4.446 -5.804 7.370
108 HG3 GLU 17 2HG GLU 17 -5.665 -4.587 7.744
109 H CYS 18 H CYS 18 -4.635 -2.502 6.681
110 HA CYS 18 HA CYS 18 -6.424 -1.732 8.795
111 HB2 CYS 18 1HB CYS 18 -4.468 -0.612 9.756
112 HB3 CYS 18 2HB CYS 18 -4.071 -2.254 9.260
113 H ARG 19 H ARG 19 -5.564 -0.445 5.775
114 HA ARG 19 HA ARG 19 -6.060 1.497 4.701
115 HB2 ARG 19 1HB ARG 19 -7.935 2.093 6.987
116 HB3 ARG 19 2HB ARG 19 -8.043 2.667 5.328
117 HG2 ARG 19 1HG ARG 19 -8.120 -0.263 5.797
118 HG3 ARG 19 2HG ARG 19 -9.543 0.692 6.220
119 HD2 ARG 19 1HD ARG 19 -8.182 0.637 3.529
120 HD3 ARG 19 2HD ARG 19 -9.690 -0.178 3.939
121 HE ARG 19 HE ARG 19 -9.778 2.639 4.441
122 HH11 ARG 19 1HH1 ARG 19 -10.110 0.187 1.992
123 HH12 ARG 19 2HH1 ARG 19 -11.139 1.149 0.983
124 HH21 ARG 19 1HH2 ARG 19 -11.131 3.916 3.121
125 HH22 ARG 19 2HH2 ARG 19 -11.718 3.270 1.626
126 H LYS 20 H LYS 20 -3.765 1.622 6.112
127 HA LYS 20 HA LYS 20 -3.833 4.259 7.424
128 HB2 LYS 20 1HB LYS 20 -3.041 2.328 8.811
129 HB3 LYS 20 2HB LYS 20 -1.703 2.130 7.687
130 HG2 LYS 20 1HG LYS 20 -0.908 4.374 8.235
131 HG3 LYS 20 2HG LYS 20 -2.251 4.573 9.363
132 HD2 LYS 20 1HD LYS 20 -1.371 2.471 10.513
133 HD3 LYS 20 2HD LYS 20 0.091 2.696 9.550
134 HE2 LYS 20 1HE LYS 20 -1.011 4.956 11.171
135 HE3 LYS 20 2HE LYS 20 -0.045 3.701 11.945
136 HZ1 LYS 20 3HZ LYS 20 1.833 4.370 10.899
137 HZ2 LYS 20 1HZ LYS 20 1.030 5.860 10.904
138 HZ3 LYS 20 2HZ LYS 20 1.026 4.902 9.510
139 H THR 21 H THR 21 -2.054 5.706 7.012
140 HA THR 21 HA THR 21 -1.133 5.508 4.244
141 HB THR 21 HB THR 21 -0.571 7.875 4.423
142 HG1 THR 21 HG1 THR 21 -1.015 7.370 7.136
143 HG21 THR 21 3HG2 THR 21 -3.276 7.640 5.688
144 HG22 THR 21 1HG2 THR 21 -2.989 6.992 4.073
145 HG23 THR 21 2HG2 THR 21 -2.739 8.709 4.392
146 H PHE 22 H PHE 22 1.097 6.365 3.787
147 HA PHE 22 HA PHE 22 3.033 5.912 5.916
148 HB2 PHE 22 1HB PHE 22 3.025 4.334 3.336
149 HB3 PHE 22 2HB PHE 22 4.360 4.364 4.483
150 HD1 PHE 22 HD1 PHE 22 0.714 3.625 4.309
151 HD2 PHE 22 HD2 PHE 22 4.461 2.760 6.134
152 HE1 PHE 22 HE1 PHE 22 -0.324 1.775 5.556
153 HE2 PHE 22 HE2 PHE 22 3.430 0.908 7.383
154 HZ PHE 22 HZ PHE 22 1.034 0.413 7.094
155 H ILE 23 H ILE 23 4.327 7.616 5.871
156 HA ILE 23 HA ILE 23 4.472 9.544 3.911
157 HB ILE 23 HB ILE 23 6.684 8.770 5.818
158 HG12 ILE 23 1HG1 ILE 23 4.729 11.011 6.229
159 HG13 ILE 23 2HG1 ILE 23 4.297 9.368 6.688
160 HG21 ILE 23 1HG2 ILE 23 6.178 11.385 4.405
161 HG22 ILE 23 2HG2 ILE 23 7.486 11.041 5.535
162 HG23 ILE 23 3HG2 ILE 23 7.428 10.218 3.976
163 HD11 ILE 23 3HD1 ILE 23 6.727 9.603 7.850
164 HD12 ILE 23 1HD1 ILE 23 6.135 11.261 7.954
165 HD13 ILE 23 2HD1 ILE 23 5.194 9.943 8.652
166 H GLN 24 H GLN 24 6.474 6.655 4.293
167 HA GLN 24 HA GLN 24 7.651 7.206 1.649
168 HB2 GLN 24 1HB GLN 24 8.777 5.959 4.122
169 HB3 GLN 24 2HB GLN 24 9.392 5.451 2.555
170 HG2 GLN 24 1HG GLN 24 10.088 7.679 2.033
171 HG3 GLN 24 2HG GLN 24 9.310 8.309 3.485
172 HE21 GLN 24 1HE2 GLN 24 12.192 7.895 2.303
173 HE22 GLN 24 2HE2 GLN 24 13.089 7.417 3.700
174 H ILE 25 H ILE 25 7.875 5.482 0.181
175 HA ILE 25 HA ILE 25 5.728 3.619 0.215
176 HB ILE 25 HB ILE 25 6.539 4.490 -1.894
177 HG12 ILE 25 1HG1 ILE 25 7.293 1.576 -1.886
178 HG13 ILE 25 2HG1 ILE 25 5.628 2.089 -1.633
179 HG21 ILE 25 1HG2 ILE 25 9.008 2.899 -1.945
180 HG22 ILE 25 2HG2 ILE 25 8.685 4.517 -2.565
181 HG23 ILE 25 3HG2 ILE 25 9.028 4.282 -0.851
182 HD11 ILE 25 3HD1 ILE 25 5.398 2.059 -3.832
183 HD12 ILE 25 1HD1 ILE 25 6.449 3.474 -3.891
184 HD13 ILE 25 2HD1 ILE 25 7.133 1.859 -4.076
185 H GLY 26 H GLY 26 9.112 3.457 1.076
186 HA2 GLY 26 1HA GLY 26 9.445 0.664 1.055
187 HA3 GLY 26 2HA GLY 26 10.375 1.794 2.028
188 H HIS 27 H HIS 27 8.862 2.763 3.883
189 HA HIS 27 HA HIS 27 8.533 0.808 5.785
190 HB2 HIS 27 1HB HIS 27 8.450 3.437 5.933
191 HB3 HIS 27 2HB HIS 27 6.710 3.180 5.846
192 HD2 HIS 27 HD2 HIS 27 9.290 3.519 8.488
193 HE1 HIS 27 HE1 HIS 27 6.324 1.012 10.195
194 HE2 HIS 27 HE2 HIS 27 8.300 2.504 10.651
195 H LEU 28 H LEU 28 6.353 1.738 3.251
196 HA LEU 28 HA LEU 28 4.090 0.345 4.397
197 HB2 LEU 28 1HB LEU 28 3.632 2.313 3.117
198 HB3 LEU 28 2HB LEU 28 4.538 1.689 1.740
199 HG LEU 28 HG LEU 28 2.816 -0.064 1.450
200 HD11 LEU 28 1HD1 LEU 28 2.109 0.464 4.012
201 HD12 LEU 28 2HD1 LEU 28 1.089 -0.380 2.847
202 HD13 LEU 28 3HD1 LEU 28 0.864 1.346 3.127
203 HD21 LEU 28 3HD2 LEU 28 2.590 2.736 0.940
204 HD22 LEU 28 1HD2 LEU 28 0.985 2.071 1.246
205 HD23 LEU 28 2HD2 LEU 28 1.999 1.380 -0.021
206 H ASN 29 H ASN 29 6.452 -0.156 1.821
207 HA ASN 29 HA ASN 29 5.409 -2.362 0.553
208 HB2 ASN 29 1HB ASN 29 8.175 -1.380 1.062
209 HB3 ASN 29 2HB ASN 29 7.993 -3.021 0.448
210 HD21 ASN 29 1HD2 ASN 29 8.950 -0.350 -0.671
211 HD22 ASN 29 2HD2 ASN 29 8.142 -0.236 -2.194
212 H GLN 30 H GLN 30 7.591 -2.390 3.372
213 HA GLN 30 HA GLN 30 7.442 -5.195 3.751
214 HB2 GLN 30 1HB GLN 30 9.189 -3.488 4.631
215 HB3 GLN 30 2HB GLN 30 8.063 -3.262 5.963
216 HG2 GLN 30 1HG GLN 30 8.177 -5.874 6.095
217 HG3 GLN 30 2HG GLN 30 9.704 -5.637 5.247
218 HE21 GLN 30 1HE2 GLN 30 7.907 -4.931 8.163
219 HE22 GLN 30 2HE2 GLN 30 9.276 -4.546 9.145
220 H HIS 31 H HIS 31 5.775 -2.464 5.281
221 HA HIS 31 HA HIS 31 4.360 -3.826 7.233
222 HB2 HIS 31 1HB HIS 31 4.158 -1.524 7.393
223 HB3 HIS 31 2HB HIS 31 3.845 -1.326 5.671
224 HD1 HIS 31 HD1 HIS 31 2.155 -1.938 8.923
225 HD2 HIS 31 HD2 HIS 31 1.154 -1.722 4.896
226 HE1 HIS 31 HE1 HIS 31 -0.354 -1.785 8.861
227 H LYS 32 H LYS 32 3.689 -3.504 3.798
228 HA LYS 32 HA LYS 32 1.070 -4.461 3.743
229 HB2 LYS 32 1HB LYS 32 3.319 -4.498 1.755
230 HB3 LYS 32 2HB LYS 32 1.795 -5.295 1.387
231 HG2 LYS 32 1HG LYS 32 0.778 -2.981 2.090
232 HG3 LYS 32 2HG LYS 32 2.397 -2.399 1.696
233 HD2 LYS 32 1HD LYS 32 0.881 -4.152 -0.207
234 HD3 LYS 32 2HD LYS 32 0.602 -2.410 -0.157
235 HE2 LYS 32 1HE LYS 32 3.337 -3.620 -0.481
236 HE3 LYS 32 2HE LYS 32 2.297 -3.231 -1.850
237 HZ1 LYS 32 3HZ LYS 32 2.243 -0.942 -0.464
238 HZ2 LYS 32 1HZ LYS 32 3.320 -1.257 -1.729
239 HZ3 LYS 32 2HZ LYS 32 3.813 -1.473 -0.126
240 H ARG 33 H ARG 33 4.125 -6.257 3.398
241 HA ARG 33 HA ARG 33 2.800 -8.801 3.339
242 HB2 ARG 33 1HB ARG 33 5.019 -9.755 3.294
243 HB3 ARG 33 2HB ARG 33 4.963 -8.379 2.200
244 HG2 ARG 33 1HG ARG 33 6.274 -7.059 3.588
245 HG3 ARG 33 2HG ARG 33 5.946 -8.057 5.006
246 HD2 ARG 33 1HD ARG 33 8.120 -8.644 4.450
247 HD3 ARG 33 2HD ARG 33 7.162 -9.917 3.695
248 HE ARG 33 HE ARG 33 7.760 -9.110 1.618
249 HH11 ARG 33 1HH1 ARG 33 8.769 -6.892 4.105
250 HH12 ARG 33 2HH1 ARG 33 9.758 -5.946 3.042
251 HH21 ARG 33 1HH2 ARG 33 9.059 -7.872 0.209
252 HH22 ARG 33 2HH2 ARG 33 9.921 -6.504 0.826
253 H VAL 34 H VAL 34 4.105 -6.724 5.784
254 HA VAL 34 HA VAL 34 4.588 -8.570 7.832
255 HB VAL 34 HB VAL 34 3.806 -5.667 7.878
256 HG11 VAL 34 1HG1 VAL 34 4.206 -7.524 10.207
257 HG12 VAL 34 2HG1 VAL 34 4.424 -5.778 10.339
258 HG13 VAL 34 3HG1 VAL 34 2.853 -6.440 9.889
259 HG21 VAL 34 3HG2 VAL 34 6.288 -6.375 9.146
260 HG22 VAL 34 1HG2 VAL 34 6.219 -7.039 7.514
261 HG23 VAL 34 2HG2 VAL 34 5.999 -5.309 7.772
262 H HIS 35 H HIS 35 1.616 -7.075 6.714
263 HA HIS 35 HA HIS 35 -0.117 -7.508 8.784
264 HB2 HIS 35 1HB HIS 35 -0.409 -7.517 5.823
265 HB3 HIS 35 2HB HIS 35 -1.757 -8.142 6.769
266 HD1 HIS 35 HD1 HIS 35 -1.687 -6.145 9.117
267 HD2 HIS 35 HD2 HIS 35 -1.373 -5.069 5.116
268 HE1 HIS 35 HE1 HIS 35 -2.416 -3.740 9.008
269 H THR 36 H THR 36 1.020 -9.874 6.415
270 HA THR 36 HA THR 36 -0.538 -11.993 7.650
271 HB THR 36 HB THR 36 0.512 -13.450 5.919
272 HG1 THR 36 HG1 THR 36 1.535 -11.966 4.189
273 HG21 THR 36 3HG2 THR 36 -0.902 -10.935 5.058
274 HG22 THR 36 1HG2 THR 36 -1.595 -12.529 5.351
275 HG23 THR 36 2HG2 THR 36 -0.560 -12.262 3.948
276 H GLY 37 H GLY 37 0.269 -13.675 8.845
277 HA2 GLY 37 1HA GLY 37 3.161 -13.770 9.333
278 HA3 GLY 37 2HA GLY 37 2.093 -13.544 10.710
279 H GLU 38 H GLU 38 3.693 -15.658 10.843
280 HA GLU 38 HA GLU 38 2.292 -17.992 9.802
281 HB2 GLU 38 1HB GLU 38 4.186 -19.272 10.689
282 HB3 GLU 38 2HB GLU 38 4.729 -17.960 9.652
283 HG2 GLU 38 1HG GLU 38 5.301 -16.628 11.595
284 HG3 GLU 38 2HG GLU 38 4.698 -17.895 12.661
285 H ARG 39 H ARG 39 0.989 -16.351 11.795
286 HA ARG 39 HA ARG 39 1.168 -17.421 14.381
287 HB2 ARG 39 1HB ARG 39 0.025 -15.305 13.868
288 HB3 ARG 39 2HB ARG 39 -1.227 -16.190 13.007
289 HG2 ARG 39 1HG ARG 39 -1.806 -17.342 15.119
290 HG3 ARG 39 2HG ARG 39 -0.622 -16.332 15.952
291 HD2 ARG 39 1HD ARG 39 -2.848 -15.151 14.319
292 HD3 ARG 39 2HD ARG 39 -3.073 -15.596 16.011
293 HE ARG 39 HE ARG 39 -0.835 -14.035 16.008
294 HH11 ARG 39 1HH1 ARG 39 -4.111 -13.641 14.897
295 HH12 ARG 39 2HH1 ARG 39 -4.132 -11.929 15.158
296 HH21 ARG 39 1HH2 ARG 39 -0.850 -11.781 16.356
297 HH22 ARG 39 2HH2 ARG 39 -2.276 -10.871 15.987
298 H SER 40 H SER 40 1.106 -19.588 14.624
299 HA SER 40 HA SER 40 -1.168 -21.040 13.446
300 HB2 SER 40 1HB SER 40 0.212 -23.088 13.811
301 HB3 SER 40 2HB SER 40 0.965 -21.931 12.712
302 HG SER 40 HG SER 40 1.579 -21.703 15.418
303 H SER 41 H SER 41 -2.183 -22.697 14.740
304 HA SER 41 HA SER 41 -1.867 -22.343 17.640
305 HB2 SER 41 1HB SER 41 -4.493 -22.348 16.133
306 HB3 SER 41 2HB SER 41 -4.340 -22.396 17.889
307 HG SER 41 HG SER 41 -3.691 -20.347 17.911
308 H GLY 42 H GLY 42 -3.477 -24.280 15.117
309 HA2 GLY 42 1HA GLY 42 -4.065 -26.541 16.593
310 HA3 GLY 42 2HA GLY 42 -3.681 -26.555 14.878
311 HA PRO 43 HA PRO 43 -0.128 -28.960 15.811
312 HB2 PRO 43 1HB PRO 43 1.377 -28.411 13.619
313 HB3 PRO 43 2HB PRO 43 -0.050 -29.453 13.568
314 HG2 PRO 43 1HG PRO 43 0.217 -26.569 12.810
315 HG3 PRO 43 2HG PRO 43 -0.646 -27.871 11.971
316 HD2 PRO 43 1HD PRO 43 -1.909 -26.055 13.533
317 HD3 PRO 43 2HD PRO 43 -2.473 -27.731 13.370
318 H SER 44 H SER 44 2.353 -28.727 15.779
319 HA SER 44 HA SER 44 3.165 -25.994 16.490
320 HB2 SER 44 1HB SER 44 3.678 -28.493 18.119
321 HB3 SER 44 2HB SER 44 4.481 -26.948 18.400
322 HG SER 44 HG SER 44 2.631 -26.092 19.109
323 H SER 45 H SER 45 5.656 -25.969 16.826
324 HA SER 45 HA SER 45 7.646 -25.985 15.702
325 HB2 SER 45 1HB SER 45 7.447 -28.290 16.919
326 HB3 SER 45 2HB SER 45 7.275 -28.935 15.286
327 HG SER 45 HG SER 45 9.362 -27.150 15.730
328 H GLY 46 H GLY 46 5.535 -25.285 14.038
329 HA2 GLY 46 1HA GLY 46 5.270 -26.730 11.669
330 HA3 GLY 46 2HA GLY 46 5.066 -24.990 11.812
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -23.239 26.533 -3.502
2 HA2 GLY 1 1HA GLY 1 -22.974 25.832 -0.646
3 HA3 GLY 1 2HA GLY 1 -23.278 24.673 -1.932
4 H SER 2 H SER 2 -20.989 25.695 0.137
5 HA SER 2 HA SER 2 -18.832 24.771 -1.631
6 HB2 SER 2 1HB SER 2 -18.748 27.258 -1.413
7 HB3 SER 2 2HB SER 2 -18.554 27.061 0.329
8 HG SER 2 HG SER 2 -16.806 25.648 -1.313
9 H SER 3 H SER 3 -17.087 23.728 -0.577
10 HA SER 3 HA SER 3 -17.870 22.508 1.961
11 HB2 SER 3 1HB SER 3 -15.993 21.748 -0.247
12 HB3 SER 3 2HB SER 3 -15.756 21.063 1.361
13 HG SER 3 HG SER 3 -18.047 20.457 1.215
14 H GLY 4 H GLY 4 -15.137 24.219 0.483
15 HA2 GLY 4 1HA GLY 4 -14.212 25.942 2.113
16 HA3 GLY 4 2HA GLY 4 -13.991 24.564 3.181
17 H SER 5 H SER 5 -12.058 23.635 3.168
18 HA SER 5 HA SER 5 -9.947 24.558 1.578
19 HB2 SER 5 1HB SER 5 -10.333 22.291 3.473
20 HB3 SER 5 2HB SER 5 -8.929 22.235 2.407
21 HG SER 5 HG SER 5 -8.134 24.033 3.329
22 H SER 6 H SER 6 -9.406 24.143 -0.452
23 HA SER 6 HA SER 6 -10.856 22.247 -2.021
24 HB2 SER 6 1HB SER 6 -10.101 24.337 -3.017
25 HB3 SER 6 2HB SER 6 -8.420 23.918 -2.687
26 HG SER 6 HG SER 6 -8.951 23.431 -4.833
27 H GLY 7 H GLY 7 -10.427 20.229 -1.061
28 HA2 GLY 7 1HA GLY 7 -8.701 18.523 -2.178
29 HA3 GLY 7 2HA GLY 7 -7.680 19.279 -0.964
30 H SER 8 H SER 8 -8.447 19.175 1.294
31 HA SER 8 HA SER 8 -9.014 17.926 3.111
32 HB2 SER 8 1HB SER 8 -11.292 18.573 2.315
33 HB3 SER 8 2HB SER 8 -11.366 17.060 1.413
34 HG SER 8 HG SER 8 -12.326 16.631 3.332
35 H GLY 9 H GLY 9 -7.122 16.743 1.478
36 HA2 GLY 9 1HA GLY 9 -7.115 14.097 2.378
37 HA3 GLY 9 2HA GLY 9 -7.712 14.086 0.725
38 H LYS 10 H LYS 10 -5.003 15.183 2.732
39 HA LYS 10 HA LYS 10 -3.264 14.938 0.366
40 HB2 LYS 10 1HB LYS 10 -1.700 16.396 1.859
41 HB3 LYS 10 2HB LYS 10 -3.030 17.155 0.993
42 HG2 LYS 10 1HG LYS 10 -4.384 17.109 3.025
43 HG3 LYS 10 2HG LYS 10 -3.052 16.345 3.894
44 HD2 LYS 10 1HD LYS 10 -1.682 18.398 3.116
45 HD3 LYS 10 2HD LYS 10 -3.258 19.136 2.822
46 HE2 LYS 10 1HE LYS 10 -2.608 17.849 5.451
47 HE3 LYS 10 2HE LYS 10 -2.126 19.509 5.107
48 HZ1 LYS 10 3HZ LYS 10 -4.920 18.594 4.786
49 HZ2 LYS 10 1HZ LYS 10 -4.342 20.180 4.904
50 HZ3 LYS 10 2HZ LYS 10 -4.334 19.172 6.263
51 H LYS 11 H LYS 11 -3.085 12.653 0.769
52 HA LYS 11 HA LYS 11 -1.130 12.063 2.885
53 HB2 LYS 11 1HB LYS 11 -2.217 9.846 3.191
54 HB3 LYS 11 2HB LYS 11 -3.233 11.196 3.679
55 HG2 LYS 11 1HG LYS 11 -4.108 10.953 1.190
56 HG3 LYS 11 2HG LYS 11 -3.547 9.296 1.427
57 HD2 LYS 11 1HD LYS 11 -5.710 9.123 2.177
58 HD3 LYS 11 2HD LYS 11 -4.875 9.508 3.684
59 HE2 LYS 11 1HE LYS 11 -5.945 11.716 1.982
60 HE3 LYS 11 2HE LYS 11 -7.047 10.797 3.006
61 HZ1 LYS 11 3HZ LYS 11 -4.835 12.570 3.785
62 HZ2 LYS 11 1HZ LYS 11 -5.288 11.309 4.819
63 HZ3 LYS 11 2HZ LYS 11 -6.414 12.496 4.389
64 HA PRO 12 HA PRO 12 1.268 10.152 -0.258
65 HB2 PRO 12 1HB PRO 12 2.528 8.210 1.160
66 HB3 PRO 12 2HB PRO 12 2.927 9.925 1.315
67 HG2 PRO 12 1HG PRO 12 1.209 8.213 3.070
68 HG3 PRO 12 2HG PRO 12 2.420 9.425 3.529
69 HD2 PRO 12 1HD PRO 12 -0.238 9.941 3.548
70 HD3 PRO 12 2HD PRO 12 0.974 11.185 3.179
71 H TYR 13 H TYR 13 1.021 7.211 1.561
72 HA TYR 13 HA TYR 13 -0.485 6.003 -0.657
73 HB2 TYR 13 1HB TYR 13 1.489 4.842 1.307
74 HB3 TYR 13 2HB TYR 13 0.466 3.834 0.290
75 HD1 TYR 13 HD2 TYR 13 3.051 6.502 0.154
76 HD2 TYR 13 HD1 TYR 13 1.099 3.334 -1.910
77 HE1 TYR 13 HE2 TYR 13 4.692 6.686 -1.669
78 HE2 TYR 13 HE1 TYR 13 2.736 3.508 -3.738
79 HH TYR 13 HH TYR 13 5.227 4.389 -3.899
80 H GLU 14 H GLU 14 -1.934 4.189 -0.075
81 HA GLU 14 HA GLU 14 -3.077 4.403 2.616
82 HB2 GLU 14 1HB GLU 14 -4.466 5.866 1.321
83 HB3 GLU 14 2HB GLU 14 -4.595 4.688 0.023
84 HG2 GLU 14 1HG GLU 14 -5.947 3.251 1.360
85 HG3 GLU 14 2HG GLU 14 -5.667 4.236 2.795
86 H CYS 15 H CYS 15 -3.190 2.449 3.480
87 HA CYS 15 HA CYS 15 -2.812 0.079 1.949
88 HB2 CYS 15 1HB CYS 15 -2.109 0.464 4.362
89 HB3 CYS 15 2HB CYS 15 -3.798 0.219 4.798
90 H LYS 16 H LYS 16 -4.303 -1.818 2.124
91 HA LYS 16 HA LYS 16 -7.061 -0.926 1.643
92 HB2 LYS 16 1HB LYS 16 -5.762 -3.527 0.817
93 HB3 LYS 16 2HB LYS 16 -7.347 -2.943 0.328
94 HG2 LYS 16 1HG LYS 16 -4.991 -1.242 -0.276
95 HG3 LYS 16 2HG LYS 16 -5.231 -2.708 -1.228
96 HD2 LYS 16 1HD LYS 16 -6.451 -1.249 -2.487
97 HD3 LYS 16 2HD LYS 16 -7.707 -1.768 -1.361
98 HE2 LYS 16 1HE LYS 16 -7.972 0.488 -1.191
99 HE3 LYS 16 2HE LYS 16 -6.751 0.252 0.059
100 HZ1 LYS 16 3HZ LYS 16 -6.046 0.918 -2.739
101 HZ2 LYS 16 1HZ LYS 16 -5.066 1.015 -1.363
102 HZ3 LYS 16 2HZ LYS 16 -6.340 2.108 -1.572
103 H GLU 17 H GLU 17 -5.115 -2.632 3.836
104 HA GLU 17 HA GLU 17 -7.359 -4.180 4.898
105 HB2 GLU 17 1HB GLU 17 -4.551 -4.184 5.980
106 HB3 GLU 17 2HB GLU 17 -5.786 -5.425 6.142
107 HG2 GLU 17 1HG GLU 17 -4.619 -4.690 3.481
108 HG3 GLU 17 2HG GLU 17 -3.863 -5.877 4.543
109 H CYS 18 H CYS 18 -4.764 -2.171 6.302
110 HA CYS 18 HA CYS 18 -6.606 -1.397 8.446
111 HB2 CYS 18 1HB CYS 18 -4.604 -0.621 9.633
112 HB3 CYS 18 2HB CYS 18 -4.435 -2.302 9.138
113 H ARG 19 H ARG 19 -5.533 -0.264 5.512
114 HA ARG 19 HA ARG 19 -5.609 1.747 4.453
115 HB2 ARG 19 1HB ARG 19 -7.385 2.537 6.770
116 HB3 ARG 19 2HB ARG 19 -7.273 3.361 5.220
117 HG2 ARG 19 1HG ARG 19 -9.202 2.104 5.010
118 HG3 ARG 19 2HG ARG 19 -7.989 1.100 4.214
119 HD2 ARG 19 1HD ARG 19 -7.847 -0.366 6.050
120 HD3 ARG 19 2HD ARG 19 -8.687 0.761 7.115
121 HE ARG 19 HE ARG 19 -10.254 -0.154 4.876
122 HH11 ARG 19 1HH1 ARG 19 -9.297 -0.759 8.168
123 HH12 ARG 19 2HH1 ARG 19 -10.691 -1.720 8.534
124 HH21 ARG 19 1HH2 ARG 19 -12.094 -1.417 5.345
125 HH22 ARG 19 2HH2 ARG 19 -12.281 -2.095 6.927
126 H LYS 20 H LYS 20 -3.497 1.258 6.379
127 HA LYS 20 HA LYS 20 -3.012 3.756 7.741
128 HB2 LYS 20 1HB LYS 20 -2.263 1.597 8.687
129 HB3 LYS 20 2HB LYS 20 -1.179 1.387 7.318
130 HG2 LYS 20 1HG LYS 20 0.246 3.076 8.024
131 HG3 LYS 20 2HG LYS 20 -0.980 3.811 9.060
132 HD2 LYS 20 1HD LYS 20 -0.119 1.029 9.666
133 HD3 LYS 20 2HD LYS 20 0.994 2.344 10.050
134 HE2 LYS 20 1HE LYS 20 -1.177 3.401 11.115
135 HE3 LYS 20 2HE LYS 20 -1.681 1.714 11.195
136 HZ1 LYS 20 3HZ LYS 20 0.615 3.012 12.519
137 HZ2 LYS 20 1HZ LYS 20 0.580 1.337 12.285
138 HZ3 LYS 20 2HZ LYS 20 -0.621 2.088 13.210
139 H THR 21 H THR 21 -1.649 5.373 7.143
140 HA THR 21 HA THR 21 -0.783 5.374 4.361
141 HB THR 21 HB THR 21 -0.346 7.772 4.692
142 HG1 THR 21 HG1 THR 21 -1.248 7.273 7.352
143 HG21 THR 21 3HG2 THR 21 -2.922 6.478 5.014
144 HG22 THR 21 1HG2 THR 21 -2.484 7.886 4.047
145 HG23 THR 21 2HG2 THR 21 -2.895 8.079 5.751
146 H PHE 22 H PHE 22 1.358 6.393 3.859
147 HA PHE 22 HA PHE 22 3.416 6.099 5.875
148 HB2 PHE 22 1HB PHE 22 3.421 4.386 3.381
149 HB3 PHE 22 2HB PHE 22 4.757 4.524 4.519
150 HD1 PHE 22 HD1 PHE 22 1.147 3.622 4.394
151 HD2 PHE 22 HD2 PHE 22 4.930 3.006 6.244
152 HE1 PHE 22 HE1 PHE 22 0.192 1.788 5.728
153 HE2 PHE 22 HE2 PHE 22 3.982 1.171 7.580
154 HZ PHE 22 HZ PHE 22 1.610 0.559 7.322
155 H ILE 23 H ILE 23 4.744 7.762 5.643
156 HA ILE 23 HA ILE 23 4.644 9.664 3.663
157 HB ILE 23 HB ILE 23 7.075 8.913 5.290
158 HG12 ILE 23 1HG1 ILE 23 5.207 11.177 5.907
159 HG13 ILE 23 2HG1 ILE 23 4.799 9.543 6.420
160 HG21 ILE 23 1HG2 ILE 23 6.672 10.882 3.238
161 HG22 ILE 23 2HG2 ILE 23 7.026 11.664 4.777
162 HG23 ILE 23 3HG2 ILE 23 8.143 10.469 4.119
163 HD11 ILE 23 3HD1 ILE 23 5.862 10.566 8.248
164 HD12 ILE 23 1HD1 ILE 23 7.055 9.475 7.546
165 HD13 ILE 23 2HD1 ILE 23 7.156 11.208 7.236
166 H GLN 24 H GLN 24 6.784 6.842 3.847
167 HA GLN 24 HA GLN 24 7.530 7.326 1.038
168 HB2 GLN 24 1HB GLN 24 9.095 5.840 3.155
169 HB3 GLN 24 2HB GLN 24 9.599 6.089 1.489
170 HG2 GLN 24 1HG GLN 24 9.739 8.471 1.845
171 HG3 GLN 24 2HG GLN 24 9.119 8.289 3.485
172 HE21 GLN 24 1HE2 GLN 24 11.670 9.372 2.435
173 HE22 GLN 24 2HE2 GLN 24 12.908 8.499 3.264
174 H ILE 25 H ILE 25 7.730 5.496 -0.345
175 HA ILE 25 HA ILE 25 5.662 3.593 -0.026
176 HB ILE 25 HB ILE 25 6.342 4.277 -2.242
177 HG12 ILE 25 1HG1 ILE 25 7.165 1.389 -1.970
178 HG13 ILE 25 2HG1 ILE 25 5.496 1.907 -1.758
179 HG21 ILE 25 1HG2 ILE 25 8.452 4.341 -2.995
180 HG22 ILE 25 2HG2 ILE 25 8.893 4.191 -1.295
181 HG23 ILE 25 3HG2 ILE 25 8.843 2.759 -2.322
182 HD11 ILE 25 3HD1 ILE 25 5.169 1.966 -3.944
183 HD12 ILE 25 1HD1 ILE 25 6.600 2.965 -4.196
184 HD13 ILE 25 2HD1 ILE 25 6.750 1.208 -4.131
185 H GLY 26 H GLY 26 9.096 3.539 0.648
186 HA2 GLY 26 1HA GLY 26 9.488 0.772 0.854
187 HA3 GLY 26 2HA GLY 26 10.424 1.993 1.702
188 H HIS 27 H HIS 27 8.842 3.093 3.486
189 HA HIS 27 HA HIS 27 8.685 1.318 5.582
190 HB2 HIS 27 1HB HIS 27 7.333 3.938 5.036
191 HB3 HIS 27 2HB HIS 27 6.919 3.026 6.484
192 HD2 HIS 27 HD2 HIS 27 10.524 3.788 5.019
193 HE1 HIS 27 HE1 HIS 27 10.319 5.043 9.066
194 HE2 HIS 27 HE2 HIS 27 11.761 4.885 7.007
195 H LEU 28 H LEU 28 6.302 1.997 3.110
196 HA LEU 28 HA LEU 28 4.203 0.522 4.415
197 HB2 LEU 28 1HB LEU 28 3.536 2.317 3.015
198 HB3 LEU 28 2HB LEU 28 4.498 1.711 1.669
199 HG LEU 28 HG LEU 28 2.951 -0.217 1.490
200 HD11 LEU 28 1HD1 LEU 28 1.156 -0.541 2.838
201 HD12 LEU 28 2HD1 LEU 28 0.944 1.179 3.161
202 HD13 LEU 28 3HD1 LEU 28 2.207 0.275 3.996
203 HD21 LEU 28 3HD2 LEU 28 1.840 2.569 1.251
204 HD22 LEU 28 1HD2 LEU 28 1.001 1.141 0.645
205 HD23 LEU 28 2HD2 LEU 28 2.580 1.578 -0.007
206 H ASN 29 H ASN 29 6.370 -0.018 1.657
207 HA ASN 29 HA ASN 29 5.471 -2.382 0.662
208 HB2 ASN 29 1HB ASN 29 8.184 -1.203 0.977
209 HB3 ASN 29 2HB ASN 29 8.092 -2.901 0.519
210 HD21 ASN 29 1HD2 ASN 29 8.829 -0.284 -0.868
211 HD22 ASN 29 2HD2 ASN 29 7.967 -0.363 -2.363
212 H GLN 30 H GLN 30 7.720 -2.061 3.407
213 HA GLN 30 HA GLN 30 7.788 -4.829 3.994
214 HB2 GLN 30 1HB GLN 30 9.522 -3.211 4.719
215 HB3 GLN 30 2HB GLN 30 8.363 -2.502 5.836
216 HG2 GLN 30 1HG GLN 30 8.218 -4.619 7.039
217 HG3 GLN 30 2HG GLN 30 9.370 -5.338 5.914
218 HE21 GLN 30 1HE2 GLN 30 11.262 -5.570 6.846
219 HE22 GLN 30 2HE2 GLN 30 12.033 -4.433 7.893
220 H HIS 31 H HIS 31 5.764 -2.176 5.098
221 HA HIS 31 HA HIS 31 4.534 -3.397 7.280
222 HB2 HIS 31 1HB HIS 31 4.054 -1.134 7.090
223 HB3 HIS 31 2HB HIS 31 3.711 -1.246 5.366
224 HD1 HIS 31 HD1 HIS 31 2.144 -1.836 8.726
225 HD2 HIS 31 HD2 HIS 31 1.075 -1.819 4.711
226 HE1 HIS 31 HE1 HIS 31 -0.368 -1.946 8.699
227 H LYS 32 H LYS 32 3.864 -3.658 3.838
228 HA LYS 32 HA LYS 32 1.391 -4.920 3.911
229 HB2 LYS 32 1HB LYS 32 3.632 -5.481 1.961
230 HB3 LYS 32 2HB LYS 32 1.918 -5.777 1.697
231 HG2 LYS 32 1HG LYS 32 2.975 -3.027 2.253
232 HG3 LYS 32 2HG LYS 32 2.945 -3.707 0.625
233 HD2 LYS 32 1HD LYS 32 0.467 -3.760 2.294
234 HD3 LYS 32 2HD LYS 32 0.943 -2.264 1.486
235 HE2 LYS 32 1HE LYS 32 0.741 -3.215 -0.640
236 HE3 LYS 32 2HE LYS 32 0.786 -4.860 -0.009
237 HZ1 LYS 32 3HZ LYS 32 -1.425 -2.981 0.587
238 HZ2 LYS 32 1HZ LYS 32 -1.392 -4.656 0.821
239 HZ3 LYS 32 2HZ LYS 32 -1.448 -4.021 -0.746
240 H ARG 33 H ARG 33 4.465 -6.085 4.881
241 HA ARG 33 HA ARG 33 4.023 -8.864 4.536
242 HB2 ARG 33 1HB ARG 33 5.815 -7.492 6.547
243 HB3 ARG 33 2HB ARG 33 5.926 -9.166 6.020
244 HG2 ARG 33 1HG ARG 33 6.186 -6.896 4.082
245 HG3 ARG 33 2HG ARG 33 7.562 -7.480 5.020
246 HD2 ARG 33 1HD ARG 33 5.849 -9.149 3.181
247 HD3 ARG 33 2HD ARG 33 7.452 -8.520 2.800
248 HE ARG 33 HE ARG 33 7.414 -10.106 5.184
249 HH11 ARG 33 1HH1 ARG 33 7.585 -10.214 1.709
250 HH12 ARG 33 2HH1 ARG 33 8.402 -11.742 1.666
251 HH21 ARG 33 1HH2 ARG 33 8.488 -12.117 5.141
252 HH22 ARG 33 2HH2 ARG 33 8.914 -12.824 3.619
253 H VAL 34 H VAL 34 3.495 -6.643 7.241
254 HA VAL 34 HA VAL 34 2.800 -8.456 9.217
255 HB VAL 34 HB VAL 34 1.699 -6.686 10.356
256 HG11 VAL 34 1HG1 VAL 34 3.516 -4.886 8.956
257 HG12 VAL 34 2HG1 VAL 34 3.536 -5.441 10.631
258 HG13 VAL 34 3HG1 VAL 34 4.247 -6.439 9.362
259 HG21 VAL 34 3HG2 VAL 34 1.016 -5.824 7.654
260 HG22 VAL 34 1HG2 VAL 34 0.174 -5.548 9.179
261 HG23 VAL 34 2HG2 VAL 34 1.511 -4.499 8.707
262 H HIS 35 H HIS 35 0.951 -7.318 6.481
263 HA HIS 35 HA HIS 35 -1.504 -8.536 7.446
264 HB2 HIS 35 1HB HIS 35 -0.841 -7.073 4.885
265 HB3 HIS 35 2HB HIS 35 -2.433 -7.726 5.261
266 HD1 HIS 35 HD1 HIS 35 -2.894 -6.821 8.081
267 HD2 HIS 35 HD2 HIS 35 -1.088 -4.404 5.224
268 HE1 HIS 35 HE1 HIS 35 -3.229 -4.462 8.886
269 H THR 36 H THR 36 0.564 -10.376 7.169
270 HA THR 36 HA THR 36 -0.274 -11.918 4.800
271 HB THR 36 HB THR 36 2.359 -12.093 6.280
272 HG1 THR 36 HG1 THR 36 3.197 -10.990 4.566
273 HG21 THR 36 3HG2 THR 36 2.209 -13.295 3.639
274 HG22 THR 36 1HG2 THR 36 1.089 -14.043 4.776
275 HG23 THR 36 2HG2 THR 36 2.811 -13.971 5.152
276 H GLY 37 H GLY 37 0.609 -12.109 8.224
277 HA2 GLY 37 1HA GLY 37 -1.323 -13.794 9.098
278 HA3 GLY 37 2HA GLY 37 -0.135 -14.893 8.413
279 H GLU 38 H GLU 38 -0.631 -12.382 10.842
280 HA GLU 38 HA GLU 38 1.870 -13.029 12.162
281 HB2 GLU 38 1HB GLU 38 1.247 -11.260 13.744
282 HB3 GLU 38 2HB GLU 38 1.150 -10.698 12.081
283 HG2 GLU 38 1HG GLU 38 -1.365 -11.397 12.324
284 HG3 GLU 38 2HG GLU 38 -1.025 -11.204 14.043
285 H ARG 39 H ARG 39 2.082 -14.525 13.681
286 HA ARG 39 HA ARG 39 -0.220 -15.214 15.358
287 HB2 ARG 39 1HB ARG 39 1.341 -17.070 13.600
288 HB3 ARG 39 2HB ARG 39 0.669 -17.667 15.112
289 HG2 ARG 39 1HG ARG 39 -1.075 -16.209 13.177
290 HG3 ARG 39 2HG ARG 39 -0.682 -17.909 12.917
291 HD2 ARG 39 1HD ARG 39 -1.410 -18.167 15.407
292 HD3 ARG 39 2HD ARG 39 -2.238 -16.635 15.128
293 HE ARG 39 HE ARG 39 -3.080 -18.120 13.056
294 HH11 ARG 39 1HH1 ARG 39 -2.918 -18.757 16.475
295 HH12 ARG 39 2HH1 ARG 39 -4.287 -19.818 16.474
296 HH21 ARG 39 1HH2 ARG 39 -4.884 -19.515 13.042
297 HH22 ARG 39 2HH2 ARG 39 -5.405 -20.250 14.521
298 H SER 40 H SER 40 0.463 -14.686 17.330
299 HA SER 40 HA SER 40 2.769 -16.003 18.443
300 HB2 SER 40 1HB SER 40 3.953 -13.984 19.126
301 HB3 SER 40 2HB SER 40 3.788 -14.010 17.371
302 HG SER 40 HG SER 40 3.115 -12.063 18.905
303 H SER 41 H SER 41 3.099 -15.098 20.799
304 HA SER 41 HA SER 41 0.918 -15.755 22.315
305 HB2 SER 41 1HB SER 41 3.047 -13.754 23.108
306 HB3 SER 41 2HB SER 41 2.034 -14.693 24.205
307 HG SER 41 HG SER 41 4.056 -15.628 22.458
308 H GLY 42 H GLY 42 -0.411 -14.403 23.770
309 HA2 GLY 42 1HA GLY 42 -1.512 -12.153 22.261
310 HA3 GLY 42 2HA GLY 42 -2.292 -12.988 23.595
311 HA PRO 43 HA PRO 43 -1.087 -9.847 26.396
312 HB2 PRO 43 1HB PRO 43 -0.450 -11.241 28.636
313 HB3 PRO 43 2HB PRO 43 -2.111 -11.053 28.061
314 HG2 PRO 43 1HG PRO 43 -0.237 -13.363 27.720
315 HG3 PRO 43 2HG PRO 43 -1.963 -13.373 28.126
316 HD2 PRO 43 1HD PRO 43 -1.052 -13.872 25.625
317 HD3 PRO 43 2HD PRO 43 -2.609 -13.077 25.933
318 H SER 44 H SER 44 0.781 -8.986 25.465
319 HA SER 44 HA SER 44 3.313 -10.024 26.560
320 HB2 SER 44 1HB SER 44 2.703 -8.899 23.831
321 HB3 SER 44 2HB SER 44 4.347 -8.944 24.468
322 HG SER 44 HG SER 44 3.654 -10.805 23.171
323 H SER 45 H SER 45 5.009 -8.399 26.847
324 HA SER 45 HA SER 45 4.354 -6.330 28.474
325 HB2 SER 45 1HB SER 45 6.550 -5.410 28.087
326 HB3 SER 45 2HB SER 45 6.673 -7.168 28.007
327 HG SER 45 HG SER 45 7.761 -6.391 26.256
328 H GLY 46 H GLY 46 4.751 -6.132 24.948
329 HA2 GLY 46 1HA GLY 46 3.732 -4.701 23.446
330 HA3 GLY 46 2HA GLY 46 2.812 -4.022 24.780
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -26.759 24.654 -8.675
2 HA2 GLY 1 1HA GLY 1 -26.919 27.575 -9.025
3 HA3 GLY 1 2HA GLY 1 -26.680 26.751 -7.492
4 H SER 2 H SER 2 -24.686 26.772 -6.711
5 HA SER 2 HA SER 2 -22.482 27.401 -8.548
6 HB2 SER 2 1HB SER 2 -22.939 27.901 -5.625
7 HB3 SER 2 2HB SER 2 -21.294 27.857 -6.259
8 HG SER 2 HG SER 2 -21.667 29.852 -6.791
9 H SER 3 H SER 3 -20.480 26.292 -8.364
10 HA SER 3 HA SER 3 -20.444 23.825 -6.809
11 HB2 SER 3 1HB SER 3 -21.438 23.223 -9.004
12 HB3 SER 3 2HB SER 3 -19.989 23.833 -9.803
13 HG SER 3 HG SER 3 -18.843 22.168 -9.042
14 H GLY 4 H GLY 4 -18.318 22.851 -6.678
15 HA2 GLY 4 1HA GLY 4 -16.201 24.868 -7.055
16 HA3 GLY 4 2HA GLY 4 -16.187 23.612 -5.826
17 H SER 5 H SER 5 -14.181 22.809 -6.425
18 HA SER 5 HA SER 5 -14.126 21.433 -9.032
19 HB2 SER 5 1HB SER 5 -11.775 21.836 -9.209
20 HB3 SER 5 2HB SER 5 -12.522 23.380 -8.800
21 HG SER 5 HG SER 5 -11.029 23.337 -7.297
22 H SER 6 H SER 6 -12.417 19.613 -8.997
23 HA SER 6 HA SER 6 -12.893 18.031 -6.567
24 HB2 SER 6 1HB SER 6 -12.413 16.060 -8.002
25 HB3 SER 6 2HB SER 6 -13.771 17.014 -8.599
26 HG SER 6 HG SER 6 -11.267 16.597 -9.705
27 H GLY 7 H GLY 7 -11.227 17.020 -5.488
28 HA2 GLY 7 1HA GLY 7 -8.700 16.430 -6.116
29 HA3 GLY 7 2HA GLY 7 -8.594 18.174 -5.934
30 H SER 8 H SER 8 -10.531 15.860 -4.076
31 HA SER 8 HA SER 8 -9.279 16.889 -1.637
32 HB2 SER 8 1HB SER 8 -11.192 15.864 -0.464
33 HB3 SER 8 2HB SER 8 -11.727 16.973 -1.726
34 HG SER 8 HG SER 8 -12.919 15.236 -2.141
35 H GLY 9 H GLY 9 -7.444 15.776 -1.248
36 HA2 GLY 9 1HA GLY 9 -7.410 13.306 -0.074
37 HA3 GLY 9 2HA GLY 9 -7.198 12.966 -1.785
38 H LYS 10 H LYS 10 -5.809 14.553 1.019
39 HA LYS 10 HA LYS 10 -3.248 14.776 -0.413
40 HB2 LYS 10 1HB LYS 10 -4.366 16.248 1.965
41 HB3 LYS 10 2HB LYS 10 -2.650 16.276 1.582
42 HG2 LYS 10 1HG LYS 10 -4.714 17.046 -0.449
43 HG3 LYS 10 2HG LYS 10 -4.108 18.200 0.741
44 HD2 LYS 10 1HD LYS 10 -2.160 16.611 -0.867
45 HD3 LYS 10 2HD LYS 10 -2.978 17.982 -1.620
46 HE2 LYS 10 1HE LYS 10 -2.240 19.285 0.481
47 HE3 LYS 10 2HE LYS 10 -1.113 17.951 0.728
48 HZ1 LYS 10 3HZ LYS 10 -1.147 19.081 -1.943
49 HZ2 LYS 10 1HZ LYS 10 0.162 18.598 -0.986
50 HZ3 LYS 10 2HZ LYS 10 -0.559 20.107 -0.733
51 H LYS 11 H LYS 11 -2.725 12.560 -0.125
52 HA LYS 11 HA LYS 11 -1.447 12.033 2.418
53 HB2 LYS 11 1HB LYS 11 -2.543 9.905 2.809
54 HB3 LYS 11 2HB LYS 11 -3.745 11.188 2.758
55 HG2 LYS 11 1HG LYS 11 -3.165 9.711 0.248
56 HG3 LYS 11 2HG LYS 11 -4.104 8.901 1.504
57 HD2 LYS 11 1HD LYS 11 -4.806 11.666 0.574
58 HD3 LYS 11 2HD LYS 11 -5.368 10.238 -0.297
59 HE2 LYS 11 1HE LYS 11 -6.084 9.500 2.149
60 HE3 LYS 11 2HE LYS 11 -6.110 11.245 2.398
61 HZ1 LYS 11 3HZ LYS 11 -8.261 10.251 1.671
62 HZ2 LYS 11 1HZ LYS 11 -7.544 9.893 0.182
63 HZ3 LYS 11 2HZ LYS 11 -7.702 11.502 0.679
64 HA PRO 12 HA PRO 12 1.491 10.027 -0.156
65 HB2 PRO 12 1HB PRO 12 2.547 8.227 1.581
66 HB3 PRO 12 2HB PRO 12 2.870 9.962 1.681
67 HG2 PRO 12 1HG PRO 12 0.928 8.302 3.243
68 HG3 PRO 12 2HG PRO 12 2.014 9.585 3.810
69 HD2 PRO 12 1HD PRO 12 -0.622 10.003 3.356
70 HD3 PRO 12 2HD PRO 12 0.602 11.265 3.107
71 H TYR 13 H TYR 13 1.020 7.200 1.797
72 HA TYR 13 HA TYR 13 -0.305 5.861 -0.470
73 HB2 TYR 13 1HB TYR 13 1.727 4.661 1.423
74 HB3 TYR 13 2HB TYR 13 0.941 3.830 0.085
75 HD1 TYR 13 HD1 TYR 13 1.440 4.554 -2.264
76 HD2 TYR 13 HD2 TYR 13 3.647 6.002 1.073
77 HE1 TYR 13 HE1 TYR 13 3.242 5.274 -3.776
78 HE2 TYR 13 HE2 TYR 13 5.454 6.727 -0.429
79 HH TYR 13 HH TYR 13 5.824 5.684 -3.496
80 H GLU 14 H GLU 14 -2.230 5.043 -0.012
81 HA GLU 14 HA GLU 14 -2.975 4.676 2.800
82 HB2 GLU 14 1HB GLU 14 -4.477 6.131 1.649
83 HB3 GLU 14 2HB GLU 14 -4.616 5.021 0.293
84 HG2 GLU 14 1HG GLU 14 -5.712 3.393 1.817
85 HG3 GLU 14 2HG GLU 14 -5.692 4.629 3.074
86 H CYS 15 H CYS 15 -2.886 2.689 3.587
87 HA CYS 15 HA CYS 15 -2.441 0.377 2.086
88 HB2 CYS 15 1HB CYS 15 -2.207 0.903 4.673
89 HB3 CYS 15 2HB CYS 15 -3.807 0.170 4.734
90 H LYS 16 H LYS 16 -3.996 -1.624 2.497
91 HA LYS 16 HA LYS 16 -6.640 -0.810 1.484
92 HB2 LYS 16 1HB LYS 16 -5.030 -3.320 1.005
93 HB3 LYS 16 2HB LYS 16 -6.710 -3.140 0.517
94 HG2 LYS 16 1HG LYS 16 -5.953 -1.096 -0.787
95 HG3 LYS 16 2HG LYS 16 -4.306 -1.664 -0.504
96 HD2 LYS 16 1HD LYS 16 -6.460 -3.354 -1.764
97 HD3 LYS 16 2HD LYS 16 -5.320 -2.375 -2.690
98 HE2 LYS 16 1HE LYS 16 -3.514 -3.693 -2.108
99 HE3 LYS 16 2HE LYS 16 -4.299 -4.306 -0.653
100 HZ1 LYS 16 3HZ LYS 16 -4.795 -5.094 -3.462
101 HZ2 LYS 16 1HZ LYS 16 -5.881 -5.466 -2.219
102 HZ3 LYS 16 2HZ LYS 16 -4.303 -6.071 -2.172
103 H GLU 17 H GLU 17 -4.947 -2.562 3.934
104 HA GLU 17 HA GLU 17 -7.441 -3.744 4.927
105 HB2 GLU 17 1HB GLU 17 -5.684 -5.347 4.799
106 HB3 GLU 17 2HB GLU 17 -4.543 -4.260 5.577
107 HG2 GLU 17 1HG GLU 17 -5.502 -4.561 7.679
108 HG3 GLU 17 2HG GLU 17 -6.992 -5.217 7.006
109 H CYS 18 H CYS 18 -4.564 -2.360 6.512
110 HA CYS 18 HA CYS 18 -6.186 -1.355 8.676
111 HB2 CYS 18 1HB CYS 18 -4.164 -0.842 9.771
112 HB3 CYS 18 2HB CYS 18 -3.819 -2.317 8.873
113 H ARG 19 H ARG 19 -5.697 -0.265 5.654
114 HA ARG 19 HA ARG 19 -5.546 1.801 4.638
115 HB2 ARG 19 1HB ARG 19 -7.696 2.075 6.731
116 HB3 ARG 19 2HB ARG 19 -7.378 3.338 5.549
117 HG2 ARG 19 1HG ARG 19 -9.024 2.216 4.462
118 HG3 ARG 19 2HG ARG 19 -7.627 1.320 3.861
119 HD2 ARG 19 1HD ARG 19 -8.041 -0.500 5.243
120 HD3 ARG 19 2HD ARG 19 -9.025 0.448 6.357
121 HE ARG 19 HE ARG 19 -10.152 0.225 3.723
122 HH11 ARG 19 1HH1 ARG 19 -9.872 -1.271 6.854
123 HH12 ARG 19 2HH1 ARG 19 -11.344 -2.171 6.701
124 HH21 ARG 19 1HH2 ARG 19 -12.093 -0.955 3.509
125 HH22 ARG 19 2HH2 ARG 19 -12.606 -1.991 4.797
126 H LYS 20 H LYS 20 -3.395 1.651 6.255
127 HA LYS 20 HA LYS 20 -3.339 4.120 7.835
128 HB2 LYS 20 1HB LYS 20 -2.516 2.082 8.930
129 HB3 LYS 20 2HB LYS 20 -1.327 1.869 7.652
130 HG2 LYS 20 1HG LYS 20 -0.378 4.103 8.312
131 HG3 LYS 20 2HG LYS 20 -1.437 4.044 9.723
132 HD2 LYS 20 1HD LYS 20 -0.379 2.010 10.483
133 HD3 LYS 20 2HD LYS 20 0.604 1.936 9.018
134 HE2 LYS 20 1HE LYS 20 1.315 4.359 9.835
135 HE3 LYS 20 2HE LYS 20 0.857 3.692 11.402
136 HZ1 LYS 20 3HZ LYS 20 2.410 1.782 10.100
137 HZ2 LYS 20 1HZ LYS 20 2.809 2.683 11.475
138 HZ3 LYS 20 2HZ LYS 20 3.217 3.261 9.939
139 H THR 21 H THR 21 -1.666 5.665 7.544
140 HA THR 21 HA THR 21 -0.772 5.845 4.764
141 HB THR 21 HB THR 21 -0.340 8.196 5.201
142 HG1 THR 21 HG1 THR 21 0.288 7.904 7.439
143 HG21 THR 21 3HG2 THR 21 -2.547 8.922 5.331
144 HG22 THR 21 1HG2 THR 21 -2.993 7.675 6.495
145 HG23 THR 21 2HG2 THR 21 -2.720 7.248 4.805
146 H PHE 22 H PHE 22 1.380 6.309 4.204
147 HA PHE 22 HA PHE 22 3.383 5.981 6.324
148 HB2 PHE 22 1HB PHE 22 3.346 4.470 3.703
149 HB3 PHE 22 2HB PHE 22 4.685 4.469 4.847
150 HD1 PHE 22 HD1 PHE 22 0.996 3.889 4.877
151 HD2 PHE 22 HD2 PHE 22 4.837 2.659 6.238
152 HE1 PHE 22 HE1 PHE 22 -0.036 2.002 6.073
153 HE2 PHE 22 HE2 PHE 22 3.812 0.770 7.435
154 HZ PHE 22 HZ PHE 22 1.373 0.439 7.353
155 H ILE 23 H ILE 23 4.883 7.512 6.240
156 HA ILE 23 HA ILE 23 4.912 9.626 4.485
157 HB ILE 23 HB ILE 23 7.304 8.511 5.954
158 HG12 ILE 23 1HG1 ILE 23 5.545 10.777 6.863
159 HG13 ILE 23 2HG1 ILE 23 5.152 9.107 7.258
160 HG21 ILE 23 1HG2 ILE 23 6.945 10.814 4.223
161 HG22 ILE 23 2HG2 ILE 23 7.538 11.258 5.822
162 HG23 ILE 23 3HG2 ILE 23 8.426 10.088 4.847
163 HD11 ILE 23 3HD1 ILE 23 6.873 8.905 8.722
164 HD12 ILE 23 1HD1 ILE 23 7.892 10.057 7.859
165 HD13 ILE 23 2HD1 ILE 23 6.569 10.636 8.872
166 H GLN 24 H GLN 24 7.014 6.752 4.377
167 HA GLN 24 HA GLN 24 7.749 7.473 1.625
168 HB2 GLN 24 1HB GLN 24 9.080 5.556 3.546
169 HB3 GLN 24 2HB GLN 24 9.633 5.905 1.914
170 HG2 GLN 24 1HG GLN 24 9.722 8.356 2.720
171 HG3 GLN 24 2HG GLN 24 9.684 7.652 4.336
172 HE21 GLN 24 1HE2 GLN 24 11.630 8.595 1.801
173 HE22 GLN 24 2HE2 GLN 24 13.089 7.799 2.273
174 H ILE 25 H ILE 25 8.025 5.641 0.099
175 HA ILE 25 HA ILE 25 5.652 4.033 0.082
176 HB ILE 25 HB ILE 25 6.927 5.069 -1.936
177 HG12 ILE 25 1HG1 ILE 25 4.921 3.369 -1.804
178 HG13 ILE 25 2HG1 ILE 25 5.717 3.689 -3.341
179 HG21 ILE 25 1HG2 ILE 25 8.353 2.425 -1.680
180 HG22 ILE 25 2HG2 ILE 25 8.483 3.550 -3.031
181 HG23 ILE 25 3HG2 ILE 25 9.079 4.013 -1.437
182 HD11 ILE 25 3HD1 ILE 25 6.827 1.647 -3.326
183 HD12 ILE 25 1HD1 ILE 25 6.573 1.415 -1.596
184 HD13 ILE 25 2HD1 ILE 25 5.217 1.264 -2.714
185 H GLY 26 H GLY 26 9.094 3.456 0.600
186 HA2 GLY 26 1HA GLY 26 9.065 0.654 0.546
187 HA3 GLY 26 2HA GLY 26 10.225 1.639 1.425
188 H HIS 27 H HIS 27 8.359 2.907 3.170
189 HA HIS 27 HA HIS 27 8.313 1.095 5.290
190 HB2 HIS 27 1HB HIS 27 8.099 3.678 5.297
191 HB3 HIS 27 2HB HIS 27 6.373 3.385 5.105
192 HD2 HIS 27 HD2 HIS 27 6.879 0.660 7.316
193 HE1 HIS 27 HE1 HIS 27 7.092 3.952 9.983
194 HE2 HIS 27 HE2 HIS 27 6.884 1.450 9.779
195 H LEU 28 H LEU 28 5.778 1.987 2.991
196 HA LEU 28 HA LEU 28 3.739 0.435 4.223
197 HB2 LEU 28 1HB LEU 28 3.195 2.292 2.772
198 HB3 LEU 28 2HB LEU 28 3.998 1.502 1.416
199 HG LEU 28 HG LEU 28 2.285 -0.221 1.375
200 HD11 LEU 28 1HD1 LEU 28 0.200 0.384 2.853
201 HD12 LEU 28 2HD1 LEU 28 1.423 1.122 3.888
202 HD13 LEU 28 3HD1 LEU 28 1.517 -0.596 3.497
203 HD21 LEU 28 3HD2 LEU 28 2.025 2.148 0.319
204 HD22 LEU 28 1HD2 LEU 28 0.757 2.340 1.531
205 HD23 LEU 28 2HD2 LEU 28 0.653 1.039 0.345
206 H ASN 29 H ASN 29 6.195 -0.214 1.821
207 HA ASN 29 HA ASN 29 5.127 -2.641 0.834
208 HB2 ASN 29 1HB ASN 29 7.768 -1.271 0.737
209 HB3 ASN 29 2HB ASN 29 7.738 -2.995 0.378
210 HD21 ASN 29 1HD2 ASN 29 5.723 -0.167 -0.370
211 HD22 ASN 29 2HD2 ASN 29 5.611 -0.485 -2.064
212 H GLN 30 H GLN 30 7.608 -1.975 3.298
213 HA GLN 30 HA GLN 30 7.995 -4.696 3.997
214 HB2 GLN 30 1HB GLN 30 9.620 -2.840 4.437
215 HB3 GLN 30 2HB GLN 30 8.545 -2.264 5.703
216 HG2 GLN 30 1HG GLN 30 8.882 -4.220 7.000
217 HG3 GLN 30 2HG GLN 30 9.714 -5.031 5.674
218 HE21 GLN 30 1HE2 GLN 30 9.955 -2.655 8.189
219 HE22 GLN 30 2HE2 GLN 30 11.670 -2.460 8.124
220 H HIS 31 H HIS 31 5.567 -2.415 4.765
221 HA HIS 31 HA HIS 31 4.757 -3.694 7.231
222 HB2 HIS 31 1HB HIS 31 4.278 -1.427 7.312
223 HB3 HIS 31 2HB HIS 31 3.788 -1.363 5.622
224 HD1 HIS 31 HD1 HIS 31 2.509 -2.434 9.005
225 HD2 HIS 31 HD2 HIS 31 1.095 -1.707 5.166
226 HE1 HIS 31 HE1 HIS 31 0.002 -2.493 9.189
227 H LYS 32 H LYS 32 3.673 -3.549 3.875
228 HA LYS 32 HA LYS 32 1.245 -4.896 4.139
229 HB2 LYS 32 1HB LYS 32 3.209 -4.617 1.886
230 HB3 LYS 32 2HB LYS 32 1.787 -5.635 1.705
231 HG2 LYS 32 1HG LYS 32 0.504 -3.521 2.512
232 HG3 LYS 32 2HG LYS 32 1.969 -2.674 2.009
233 HD2 LYS 32 1HD LYS 32 1.715 -3.945 -0.202
234 HD3 LYS 32 2HD LYS 32 0.076 -4.308 0.344
235 HE2 LYS 32 1HE LYS 32 1.061 -1.489 0.388
236 HE3 LYS 32 2HE LYS 32 0.542 -2.205 -1.137
237 HZ1 LYS 32 3HZ LYS 32 -1.038 -1.543 1.239
238 HZ2 LYS 32 1HZ LYS 32 -1.521 -2.871 0.308
239 HZ3 LYS 32 2HZ LYS 32 -1.414 -1.338 -0.398
240 H ARG 33 H ARG 33 4.361 -6.034 4.699
241 HA ARG 33 HA ARG 33 4.048 -8.740 3.867
242 HB2 ARG 33 1HB ARG 33 5.951 -7.381 5.771
243 HB3 ARG 33 2HB ARG 33 6.007 -9.110 5.458
244 HG2 ARG 33 1HG ARG 33 6.579 -8.779 3.190
245 HG3 ARG 33 2HG ARG 33 6.196 -7.058 3.273
246 HD2 ARG 33 1HD ARG 33 8.506 -7.056 3.393
247 HD3 ARG 33 2HD ARG 33 8.040 -6.992 5.093
248 HE ARG 33 HE ARG 33 8.923 -9.092 5.387
249 HH11 ARG 33 1HH1 ARG 33 8.675 -8.396 1.985
250 HH12 ARG 33 2HH1 ARG 33 9.590 -9.785 1.501
251 HH21 ARG 33 1HH2 ARG 33 10.129 -10.925 4.762
252 HH22 ARG 33 2HH2 ARG 33 10.416 -11.223 3.081
253 H VAL 34 H VAL 34 3.729 -7.089 6.996
254 HA VAL 34 HA VAL 34 3.168 -9.311 8.579
255 HB VAL 34 HB VAL 34 2.430 -7.851 10.233
256 HG11 VAL 34 1HG1 VAL 34 3.966 -5.872 8.594
257 HG12 VAL 34 2HG1 VAL 34 4.048 -6.190 10.328
258 HG13 VAL 34 3HG1 VAL 34 4.739 -7.342 9.185
259 HG21 VAL 34 3HG2 VAL 34 0.520 -6.912 9.104
260 HG22 VAL 34 1HG2 VAL 34 1.501 -5.599 9.757
261 HG23 VAL 34 2HG2 VAL 34 1.564 -5.975 8.035
262 H HIS 35 H HIS 35 0.996 -7.276 6.664
263 HA HIS 35 HA HIS 35 -1.440 -8.335 7.501
264 HB2 HIS 35 1HB HIS 35 -0.520 -7.032 4.962
265 HB3 HIS 35 2HB HIS 35 -2.147 -7.696 5.067
266 HD1 HIS 35 HD1 HIS 35 -2.576 -6.808 8.099
267 HD2 HIS 35 HD2 HIS 35 -1.325 -4.383 4.966
268 HE1 HIS 35 HE1 HIS 35 -3.175 -4.464 8.783
269 H THR 36 H THR 36 0.669 -9.368 4.837
270 HA THR 36 HA THR 36 -0.757 -11.293 3.602
271 HB THR 36 HB THR 36 2.105 -11.699 4.490
272 HG1 THR 36 HG1 THR 36 2.478 -10.043 3.235
273 HG21 THR 36 3HG2 THR 36 1.352 -13.729 3.573
274 HG22 THR 36 1HG2 THR 36 2.169 -12.916 2.239
275 HG23 THR 36 2HG2 THR 36 0.407 -12.915 2.326
276 H GLY 37 H GLY 37 -1.694 -13.188 4.072
277 HA2 GLY 37 1HA GLY 37 -1.794 -15.305 5.159
278 HA3 GLY 37 2HA GLY 37 -0.845 -14.638 6.479
279 H GLU 38 H GLU 38 -3.643 -15.964 6.068
280 HA GLU 38 HA GLU 38 -5.259 -13.946 7.446
281 HB2 GLU 38 1HB GLU 38 -5.892 -16.418 5.886
282 HB3 GLU 38 2HB GLU 38 -7.047 -15.842 7.080
283 HG2 GLU 38 1HG GLU 38 -7.292 -13.759 5.948
284 HG3 GLU 38 2HG GLU 38 -5.962 -14.136 4.855
285 H ARG 39 H ARG 39 -4.676 -17.459 7.698
286 HA ARG 39 HA ARG 39 -5.718 -17.838 10.232
287 HB2 ARG 39 1HB ARG 39 -4.338 -19.856 10.347
288 HB3 ARG 39 2HB ARG 39 -5.068 -19.681 8.757
289 HG2 ARG 39 1HG ARG 39 -2.951 -18.795 7.894
290 HG3 ARG 39 2HG ARG 39 -2.224 -19.014 9.487
291 HD2 ARG 39 1HD ARG 39 -1.632 -20.868 8.050
292 HD3 ARG 39 2HD ARG 39 -2.693 -21.426 9.343
293 HE ARG 39 HE ARG 39 -4.205 -20.760 7.047
294 HH11 ARG 39 1HH1 ARG 39 -2.043 -23.189 8.293
295 HH12 ARG 39 2HH1 ARG 39 -2.705 -24.462 7.323
296 HH21 ARG 39 1HH2 ARG 39 -5.085 -22.428 5.764
297 HH22 ARG 39 2HH2 ARG 39 -4.435 -24.028 5.884
298 H SER 40 H SER 40 -2.428 -16.911 9.301
299 HA SER 40 HA SER 40 -1.825 -16.405 12.137
300 HB2 SER 40 1HB SER 40 0.515 -16.595 11.575
301 HB3 SER 40 2HB SER 40 -0.326 -17.990 10.900
302 HG SER 40 HG SER 40 1.221 -16.381 9.605
303 H SER 41 H SER 41 -1.502 -14.386 12.829
304 HA SER 41 HA SER 41 -1.672 -12.223 10.871
305 HB2 SER 41 1HB SER 41 -1.950 -12.240 13.884
306 HB3 SER 41 2HB SER 41 -2.041 -10.783 12.893
307 HG SER 41 HG SER 41 -3.803 -12.984 12.976
308 H GLY 42 H GLY 42 0.247 -13.007 13.779
309 HA2 GLY 42 1HA GLY 42 2.254 -11.052 13.100
310 HA3 GLY 42 2HA GLY 42 2.303 -12.176 14.450
311 HA PRO 43 HA PRO 43 5.247 -14.666 12.375
312 HB2 PRO 43 1HB PRO 43 4.497 -17.179 13.079
313 HB3 PRO 43 2HB PRO 43 5.241 -16.045 14.213
314 HG2 PRO 43 1HG PRO 43 2.351 -16.738 13.847
315 HG3 PRO 43 2HG PRO 43 3.268 -16.521 15.349
316 HD2 PRO 43 1HD PRO 43 1.650 -14.599 14.340
317 HD3 PRO 43 2HD PRO 43 3.126 -14.222 15.252
318 H SER 44 H SER 44 5.514 -16.529 10.841
319 HA SER 44 HA SER 44 3.153 -17.062 9.198
320 HB2 SER 44 1HB SER 44 4.394 -15.047 8.288
321 HB3 SER 44 2HB SER 44 5.748 -16.128 7.961
322 HG SER 44 HG SER 44 3.122 -16.303 6.897
323 H SER 45 H SER 45 3.387 -18.879 7.780
324 HA SER 45 HA SER 45 5.154 -20.895 8.893
325 HB2 SER 45 1HB SER 45 2.951 -21.683 8.550
326 HB3 SER 45 2HB SER 45 2.861 -20.978 6.937
327 HG SER 45 HG SER 45 3.368 -23.397 7.344
328 H GLY 46 H GLY 46 6.846 -21.856 7.872
329 HA2 GLY 46 1HA GLY 46 7.517 -20.827 5.183
330 HA3 GLY 46 2HA GLY 46 8.724 -21.062 6.438
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -5.018 30.439 -13.707
2 HA2 GLY 1 1HA GLY 1 -5.715 27.624 -14.127
3 HA3 GLY 1 2HA GLY 1 -4.180 28.229 -13.524
4 H SER 2 H SER 2 -5.180 29.934 -11.504
5 HA SER 2 HA SER 2 -6.231 27.928 -9.620
6 HB2 SER 2 1HB SER 2 -4.211 30.115 -9.329
7 HB3 SER 2 2HB SER 2 -5.171 29.657 -7.923
8 HG SER 2 HG SER 2 -3.504 28.295 -7.810
9 H SER 3 H SER 3 -8.024 29.324 -11.206
10 HA SER 3 HA SER 3 -9.083 31.689 -10.512
11 HB2 SER 3 1HB SER 3 -11.353 30.708 -10.911
12 HB3 SER 3 2HB SER 3 -10.173 30.288 -12.152
13 HG SER 3 HG SER 3 -10.740 28.314 -11.719
14 H GLY 4 H GLY 4 -9.975 28.683 -8.796
15 HA2 GLY 4 1HA GLY 4 -10.886 30.324 -6.537
16 HA3 GLY 4 2HA GLY 4 -11.290 28.636 -6.810
17 H SER 5 H SER 5 -10.701 28.329 -4.565
18 HA SER 5 HA SER 5 -7.845 28.522 -3.970
19 HB2 SER 5 1HB SER 5 -10.166 27.768 -2.175
20 HB3 SER 5 2HB SER 5 -8.497 28.001 -1.655
21 HG SER 5 HG SER 5 -9.404 29.932 -1.289
22 H SER 6 H SER 6 -7.164 26.827 -5.368
23 HA SER 6 HA SER 6 -8.169 24.163 -5.063
24 HB2 SER 6 1HB SER 6 -6.338 23.530 -6.579
25 HB3 SER 6 2HB SER 6 -7.214 24.932 -7.195
26 HG SER 6 HG SER 6 -4.928 25.182 -7.310
27 H GLY 7 H GLY 7 -7.916 23.358 -3.035
28 HA2 GLY 7 1HA GLY 7 -5.291 22.495 -2.272
29 HA3 GLY 7 2HA GLY 7 -5.900 23.768 -1.224
30 H SER 8 H SER 8 -5.967 20.441 -1.966
31 HA SER 8 HA SER 8 -8.069 20.020 0.058
32 HB2 SER 8 1HB SER 8 -7.375 18.198 -2.259
33 HB3 SER 8 2HB SER 8 -8.660 17.942 -1.079
34 HG SER 8 HG SER 8 -8.756 19.328 -3.344
35 H GLY 9 H GLY 9 -7.860 17.626 0.921
36 HA2 GLY 9 1HA GLY 9 -5.302 17.518 2.233
37 HA3 GLY 9 2HA GLY 9 -6.653 16.422 2.485
38 H LYS 10 H LYS 10 -3.580 16.766 1.178
39 HA LYS 10 HA LYS 10 -3.907 14.473 -0.623
40 HB2 LYS 10 1HB LYS 10 -1.958 16.712 -0.424
41 HB3 LYS 10 2HB LYS 10 -1.359 15.173 -1.030
42 HG2 LYS 10 1HG LYS 10 -3.034 15.191 -2.790
43 HG3 LYS 10 2HG LYS 10 -3.687 16.708 -2.167
44 HD2 LYS 10 1HD LYS 10 -2.290 17.299 -3.979
45 HD3 LYS 10 2HD LYS 10 -1.377 17.688 -2.520
46 HE2 LYS 10 1HE LYS 10 0.052 15.867 -2.784
47 HE3 LYS 10 2HE LYS 10 -1.060 15.031 -3.868
48 HZ1 LYS 10 3HZ LYS 10 0.801 17.226 -4.448
49 HZ2 LYS 10 1HZ LYS 10 -0.615 17.095 -5.366
50 HZ3 LYS 10 2HZ LYS 10 0.491 15.816 -5.331
51 H LYS 11 H LYS 11 -2.705 12.598 -0.391
52 HA LYS 11 HA LYS 11 -0.976 12.347 1.953
53 HB2 LYS 11 1HB LYS 11 -3.495 10.796 1.448
54 HB3 LYS 11 2HB LYS 11 -2.168 10.065 2.342
55 HG2 LYS 11 1HG LYS 11 -2.350 11.595 4.096
56 HG3 LYS 11 2HG LYS 11 -3.304 12.724 3.130
57 HD2 LYS 11 1HD LYS 11 -5.198 11.253 3.172
58 HD3 LYS 11 2HD LYS 11 -4.250 9.977 3.939
59 HE2 LYS 11 1HE LYS 11 -5.384 10.866 5.739
60 HE3 LYS 11 2HE LYS 11 -3.865 11.758 5.798
61 HZ1 LYS 11 3HZ LYS 11 -4.940 13.658 5.494
62 HZ2 LYS 11 1HZ LYS 11 -6.398 12.820 5.684
63 HZ3 LYS 11 2HZ LYS 11 -5.761 13.070 4.137
64 HA PRO 12 HA PRO 12 1.530 9.847 -0.640
65 HB2 PRO 12 1HB PRO 12 2.544 8.049 1.123
66 HB3 PRO 12 2HB PRO 12 3.038 9.745 1.091
67 HG2 PRO 12 1HG PRO 12 1.077 8.377 2.892
68 HG3 PRO 12 2HG PRO 12 2.322 9.573 3.297
69 HD2 PRO 12 1HD PRO 12 -0.290 10.228 3.012
70 HD3 PRO 12 2HD PRO 12 1.025 11.345 2.596
71 H TYR 13 H TYR 13 0.948 7.193 1.514
72 HA TYR 13 HA TYR 13 -0.597 5.843 -0.601
73 HB2 TYR 13 1HB TYR 13 1.403 4.700 1.355
74 HB3 TYR 13 2HB TYR 13 0.376 3.719 0.316
75 HD1 TYR 13 HD2 TYR 13 3.231 6.022 0.412
76 HD2 TYR 13 HD1 TYR 13 0.809 3.542 -2.054
77 HE1 TYR 13 HE2 TYR 13 4.900 6.190 -1.386
78 HE2 TYR 13 HE1 TYR 13 2.472 3.702 -3.859
79 HH TYR 13 HH TYR 13 5.442 4.440 -3.562
80 H GLU 14 H GLU 14 -1.746 3.812 0.419
81 HA GLU 14 HA GLU 14 -2.777 4.260 3.082
82 HB2 GLU 14 1HB GLU 14 -5.158 4.295 2.279
83 HB3 GLU 14 2HB GLU 14 -4.239 5.752 1.927
84 HG2 GLU 14 1HG GLU 14 -4.544 3.552 -0.085
85 HG3 GLU 14 2HG GLU 14 -5.746 4.829 0.097
86 H CYS 15 H CYS 15 -2.954 2.334 3.999
87 HA CYS 15 HA CYS 15 -2.657 -0.084 2.588
88 HB2 CYS 15 1HB CYS 15 -2.252 0.519 5.116
89 HB3 CYS 15 2HB CYS 15 -3.918 -0.019 5.302
90 H LYS 16 H LYS 16 -4.312 -1.949 3.091
91 HA LYS 16 HA LYS 16 -6.946 -0.994 2.184
92 HB2 LYS 16 1HB LYS 16 -5.482 -3.580 1.663
93 HB3 LYS 16 2HB LYS 16 -7.190 -3.364 1.302
94 HG2 LYS 16 1HG LYS 16 -6.781 -1.901 -0.425
95 HG3 LYS 16 2HG LYS 16 -5.204 -1.425 0.211
96 HD2 LYS 16 1HD LYS 16 -4.589 -2.754 -1.566
97 HD3 LYS 16 2HD LYS 16 -4.596 -3.929 -0.249
98 HE2 LYS 16 1HE LYS 16 -6.795 -4.693 -0.893
99 HE3 LYS 16 2HE LYS 16 -6.901 -3.445 -2.133
100 HZ1 LYS 16 3HZ LYS 16 -5.438 -5.961 -2.153
101 HZ2 LYS 16 1HZ LYS 16 -4.667 -4.642 -2.880
102 HZ3 LYS 16 2HZ LYS 16 -6.191 -5.136 -3.423
103 H GLU 17 H GLU 17 -5.264 -3.106 4.425
104 HA GLU 17 HA GLU 17 -7.701 -4.160 5.554
105 HB2 GLU 17 1HB GLU 17 -5.850 -5.640 5.600
106 HB3 GLU 17 2HB GLU 17 -4.790 -4.415 6.283
107 HG2 GLU 17 1HG GLU 17 -5.244 -5.838 8.062
108 HG3 GLU 17 2HG GLU 17 -6.327 -4.471 8.319
109 H CYS 18 H CYS 18 -4.993 -2.475 7.141
110 HA CYS 18 HA CYS 18 -6.769 -1.451 9.173
111 HB2 CYS 18 1HB CYS 18 -4.784 -0.600 10.238
112 HB3 CYS 18 2HB CYS 18 -4.444 -2.229 9.663
113 H ARG 19 H ARG 19 -5.573 -0.392 6.158
114 HA ARG 19 HA ARG 19 -5.818 1.537 4.978
115 HB2 ARG 19 1HB ARG 19 -7.789 2.256 7.157
116 HB3 ARG 19 2HB ARG 19 -7.649 3.045 5.591
117 HG2 ARG 19 1HG ARG 19 -8.196 0.111 5.768
118 HG3 ARG 19 2HG ARG 19 -9.498 1.287 5.957
119 HD2 ARG 19 1HD ARG 19 -7.623 1.395 3.619
120 HD3 ARG 19 2HD ARG 19 -9.035 0.338 3.611
121 HE ARG 19 HE ARG 19 -9.012 3.226 3.425
122 HH11 ARG 19 1HH1 ARG 19 -10.886 0.357 4.040
123 HH12 ARG 19 2HH1 ARG 19 -12.403 1.113 3.679
124 HH21 ARG 19 1HH2 ARG 19 -11.003 4.232 2.947
125 HH22 ARG 19 2HH2 ARG 19 -12.468 3.316 3.057
126 H LYS 20 H LYS 20 -3.566 1.562 6.317
127 HA LYS 20 HA LYS 20 -3.435 4.139 7.734
128 HB2 LYS 20 1HB LYS 20 -2.627 1.961 8.844
129 HB3 LYS 20 2HB LYS 20 -1.269 2.048 7.730
130 HG2 LYS 20 1HG LYS 20 -0.471 4.036 8.687
131 HG3 LYS 20 2HG LYS 20 -1.985 4.327 9.545
132 HD2 LYS 20 1HD LYS 20 -0.505 1.817 10.133
133 HD3 LYS 20 2HD LYS 20 0.147 3.331 10.765
134 HE2 LYS 20 1HE LYS 20 -1.230 2.774 12.492
135 HE3 LYS 20 2HE LYS 20 -2.373 3.679 11.501
136 HZ1 LYS 20 3HZ LYS 20 -2.465 1.081 10.580
137 HZ2 LYS 20 1HZ LYS 20 -3.638 1.877 11.504
138 HZ3 LYS 20 2HZ LYS 20 -2.445 0.951 12.267
139 H THR 21 H THR 21 -1.984 5.707 7.104
140 HA THR 21 HA THR 21 -1.055 5.504 4.356
141 HB THR 21 HB THR 21 -0.488 7.918 4.619
142 HG1 THR 21 HG1 THR 21 -0.137 8.100 6.811
143 HG21 THR 21 3HG2 THR 21 -2.682 8.660 4.374
144 HG22 THR 21 1HG2 THR 21 -3.308 7.510 5.555
145 HG23 THR 21 2HG2 THR 21 -2.800 6.950 3.961
146 H PHE 22 H PHE 22 1.123 6.469 3.840
147 HA PHE 22 HA PHE 22 3.146 6.208 5.894
148 HB2 PHE 22 1HB PHE 22 3.303 4.443 3.446
149 HB3 PHE 22 2HB PHE 22 4.423 4.482 4.804
150 HD1 PHE 22 HD2 PHE 22 3.758 3.562 6.985
151 HD2 PHE 22 HD1 PHE 22 1.260 3.230 3.554
152 HE1 PHE 22 HE2 PHE 22 2.461 1.796 8.104
153 HE2 PHE 22 HE1 PHE 22 -0.042 1.464 4.669
154 HZ PHE 22 HZ PHE 22 0.559 0.744 6.946
155 H ILE 23 H ILE 23 4.416 7.906 5.613
156 HA ILE 23 HA ILE 23 4.433 9.521 3.320
157 HB ILE 23 HB ILE 23 6.510 9.359 5.507
158 HG12 ILE 23 1HG1 ILE 23 4.186 9.846 6.272
159 HG13 ILE 23 2HG1 ILE 23 5.306 11.172 6.560
160 HG21 ILE 23 1HG2 ILE 23 7.501 10.503 3.699
161 HG22 ILE 23 2HG2 ILE 23 6.015 11.380 3.338
162 HG23 ILE 23 3HG2 ILE 23 6.928 11.757 4.799
163 HD11 ILE 23 3HD1 ILE 23 3.142 11.952 5.751
164 HD12 ILE 23 1HD1 ILE 23 4.441 12.348 4.627
165 HD13 ILE 23 2HD1 ILE 23 3.352 11.004 4.279
166 H GLN 24 H GLN 24 6.706 7.042 4.437
167 HA GLN 24 HA GLN 24 8.180 7.286 1.913
168 HB2 GLN 24 1HB GLN 24 8.849 6.156 4.606
169 HB3 GLN 24 2HB GLN 24 9.733 5.610 3.187
170 HG2 GLN 24 1HG GLN 24 10.624 7.733 2.782
171 HG3 GLN 24 2HG GLN 24 9.454 8.521 3.838
172 HE21 GLN 24 1HE2 GLN 24 9.548 7.470 6.157
173 HE22 GLN 24 2HE2 GLN 24 11.136 7.409 6.835
174 H ILE 25 H ILE 25 8.104 5.753 0.386
175 HA ILE 25 HA ILE 25 6.115 3.819 0.314
176 HB ILE 25 HB ILE 25 7.142 4.571 -1.727
177 HG12 ILE 25 1HG1 ILE 25 7.822 2.282 -2.707
178 HG13 ILE 25 2HG1 ILE 25 7.489 1.646 -1.100
179 HG21 ILE 25 1HG2 ILE 25 9.631 3.076 -1.535
180 HG22 ILE 25 2HG2 ILE 25 9.341 4.728 -2.077
181 HG23 ILE 25 3HG2 ILE 25 9.519 4.382 -0.357
182 HD11 ILE 25 3HD1 ILE 25 5.683 2.091 -3.200
183 HD12 ILE 25 1HD1 ILE 25 5.333 1.544 -1.560
184 HD13 ILE 25 2HD1 ILE 25 5.298 3.266 -1.942
185 H GLY 26 H GLY 26 9.412 3.617 1.495
186 HA2 GLY 26 1HA GLY 26 9.775 0.870 1.614
187 HA3 GLY 26 2HA GLY 26 10.467 2.013 2.755
188 H HIS 27 H HIS 27 8.624 2.901 4.313
189 HA HIS 27 HA HIS 27 8.020 0.969 6.133
190 HB2 HIS 27 1HB HIS 27 7.684 3.583 6.170
191 HB3 HIS 27 2HB HIS 27 6.026 3.165 5.747
192 HD2 HIS 27 HD2 HIS 27 4.785 1.395 7.736
193 HE1 HIS 27 HE1 HIS 27 7.333 2.813 10.819
194 HE2 HIS 27 HE2 HIS 27 5.276 1.463 10.275
195 H LEU 28 H LEU 28 6.094 1.917 3.338
196 HA LEU 28 HA LEU 28 3.855 0.273 3.996
197 HB2 LEU 28 1HB LEU 28 3.647 2.237 2.562
198 HB3 LEU 28 2HB LEU 28 4.693 1.480 1.363
199 HG LEU 28 HG LEU 28 2.967 -0.281 1.050
200 HD11 LEU 28 1HD1 LEU 28 0.736 1.147 2.102
201 HD12 LEU 28 2HD1 LEU 28 1.896 0.858 3.398
202 HD13 LEU 28 3HD1 LEU 28 1.271 -0.496 2.457
203 HD21 LEU 28 3HD2 LEU 28 2.618 2.581 0.416
204 HD22 LEU 28 1HD2 LEU 28 1.214 1.545 0.161
205 HD23 LEU 28 2HD2 LEU 28 2.736 1.184 -0.655
206 H ASN 29 H ASN 29 6.526 -0.039 1.666
207 HA ASN 29 HA ASN 29 5.967 -2.339 0.381
208 HB2 ASN 29 1HB ASN 29 8.516 -1.195 1.416
209 HB3 ASN 29 2HB ASN 29 8.552 -2.845 0.800
210 HD21 ASN 29 1HD2 ASN 29 9.389 0.033 -0.090
211 HD22 ASN 29 2HD2 ASN 29 8.962 0.037 -1.765
212 H GLN 30 H GLN 30 7.476 -2.200 3.604
213 HA GLN 30 HA GLN 30 7.318 -5.042 3.960
214 HB2 GLN 30 1HB GLN 30 9.070 -3.578 4.998
215 HB3 GLN 30 2HB GLN 30 7.825 -2.928 6.057
216 HG2 GLN 30 1HG GLN 30 8.979 -4.576 7.287
217 HG3 GLN 30 2HG GLN 30 7.416 -5.267 6.854
218 HE21 GLN 30 1HE2 GLN 30 9.362 -6.945 7.616
219 HE22 GLN 30 2HE2 GLN 30 9.970 -7.838 6.268
220 H HIS 31 H HIS 31 5.584 -2.241 5.283
221 HA HIS 31 HA HIS 31 3.912 -3.506 7.071
222 HB2 HIS 31 1HB HIS 31 3.996 -1.082 6.870
223 HB3 HIS 31 2HB HIS 31 3.282 -1.165 5.262
224 HD1 HIS 31 HD1 HIS 31 2.426 -1.260 8.874
225 HD2 HIS 31 HD2 HIS 31 0.507 -1.724 5.219
226 HE1 HIS 31 HE1 HIS 31 -0.033 -1.152 9.388
227 H LYS 32 H LYS 32 3.870 -3.620 3.619
228 HA LYS 32 HA LYS 32 1.163 -4.579 3.402
229 HB2 LYS 32 1HB LYS 32 3.437 -4.154 1.508
230 HB3 LYS 32 2HB LYS 32 2.106 -5.193 1.017
231 HG2 LYS 32 1HG LYS 32 0.561 -3.448 1.081
232 HG3 LYS 32 2HG LYS 32 1.615 -2.429 2.064
233 HD2 LYS 32 1HD LYS 32 1.790 -1.485 -0.056
234 HD3 LYS 32 2HD LYS 32 3.215 -2.523 0.039
235 HE2 LYS 32 1HE LYS 32 2.107 -4.235 -1.246
236 HE3 LYS 32 2HE LYS 32 0.600 -3.322 -1.233
237 HZ1 LYS 32 3HZ LYS 32 2.021 -1.513 -2.365
238 HZ2 LYS 32 1HZ LYS 32 1.480 -2.824 -3.287
239 HZ3 LYS 32 2HZ LYS 32 3.076 -2.784 -2.731
240 H ARG 33 H ARG 33 4.359 -5.967 3.669
241 HA ARG 33 HA ARG 33 3.532 -8.627 2.963
242 HB2 ARG 33 1HB ARG 33 6.052 -7.500 4.176
243 HB3 ARG 33 2HB ARG 33 5.820 -9.223 3.910
244 HG2 ARG 33 1HG ARG 33 5.397 -8.666 1.485
245 HG3 ARG 33 2HG ARG 33 5.966 -7.037 1.856
246 HD2 ARG 33 1HD ARG 33 8.127 -7.719 2.184
247 HD3 ARG 33 2HD ARG 33 7.652 -9.342 2.683
248 HE ARG 33 HE ARG 33 7.008 -8.997 -0.026
249 HH11 ARG 33 1HH1 ARG 33 9.788 -9.291 2.048
250 HH12 ARG 33 2HH1 ARG 33 10.792 -9.989 0.821
251 HH21 ARG 33 1HH2 ARG 33 8.320 -9.915 -1.650
252 HH22 ARG 33 2HH2 ARG 33 9.956 -10.343 -1.282
253 H VAL 34 H VAL 34 4.328 -6.940 5.983
254 HA VAL 34 HA VAL 34 4.068 -9.049 7.762
255 HB VAL 34 HB VAL 34 4.839 -6.703 8.294
256 HG11 VAL 34 1HG1 VAL 34 2.988 -5.467 7.340
257 HG12 VAL 34 2HG1 VAL 34 1.867 -6.218 8.478
258 HG13 VAL 34 3HG1 VAL 34 3.117 -5.119 9.064
259 HG21 VAL 34 3HG2 VAL 34 3.386 -6.833 10.578
260 HG22 VAL 34 1HG2 VAL 34 3.182 -8.471 9.957
261 HG23 VAL 34 2HG2 VAL 34 4.800 -7.832 10.243
262 H HIS 35 H HIS 35 1.631 -7.350 5.996
263 HA HIS 35 HA HIS 35 -0.556 -8.183 7.678
264 HB2 HIS 35 1HB HIS 35 -0.259 -6.635 5.155
265 HB3 HIS 35 2HB HIS 35 -1.812 -7.414 5.447
266 HD1 HIS 35 HD1 HIS 35 -1.968 -6.933 8.516
267 HD2 HIS 35 HD2 HIS 35 -0.949 -4.047 5.707
268 HE1 HIS 35 HE1 HIS 35 -2.490 -4.725 9.601
269 H THR 36 H THR 36 0.957 -10.385 6.983
270 HA THR 36 HA THR 36 -0.939 -11.864 5.290
271 HB THR 36 HB THR 36 1.179 -11.381 4.036
272 HG1 THR 36 HG1 THR 36 0.858 -14.153 4.595
273 HG21 THR 36 3HG2 THR 36 2.615 -11.621 6.132
274 HG22 THR 36 1HG2 THR 36 3.234 -12.357 4.654
275 HG23 THR 36 2HG2 THR 36 2.478 -13.363 5.890
276 H GLY 37 H GLY 37 -1.631 -13.747 6.126
277 HA2 GLY 37 1HA GLY 37 -1.250 -15.797 7.326
278 HA3 GLY 37 2HA GLY 37 -0.094 -14.942 8.336
279 H GLU 38 H GLU 38 -1.015 -13.196 9.731
280 HA GLU 38 HA GLU 38 -2.765 -14.082 11.576
281 HB2 GLU 38 1HB GLU 38 -1.537 -12.013 11.872
282 HB3 GLU 38 2HB GLU 38 -2.483 -11.232 10.613
283 HG2 GLU 38 1HG GLU 38 -4.437 -11.242 11.948
284 HG3 GLU 38 2HG GLU 38 -3.700 -12.314 13.136
285 H ARG 39 H ARG 39 -3.784 -11.875 8.961
286 HA ARG 39 HA ARG 39 -6.555 -12.668 9.390
287 HB2 ARG 39 1HB ARG 39 -6.013 -10.279 9.127
288 HB3 ARG 39 2HB ARG 39 -5.379 -10.604 7.519
289 HG2 ARG 39 1HG ARG 39 -7.498 -9.789 7.091
290 HG3 ARG 39 2HG ARG 39 -7.730 -11.537 7.024
291 HD2 ARG 39 1HD ARG 39 -9.523 -10.527 8.290
292 HD3 ARG 39 2HD ARG 39 -8.510 -11.493 9.362
293 HE ARG 39 HE ARG 39 -7.710 -8.755 9.306
294 HH11 ARG 39 1HH1 ARG 39 -10.019 -10.978 10.666
295 HH12 ARG 39 2HH1 ARG 39 -10.305 -10.019 12.080
296 HH21 ARG 39 1HH2 ARG 39 -8.079 -7.484 11.164
297 HH22 ARG 39 2HH2 ARG 39 -9.202 -8.032 12.362
298 H SER 40 H SER 40 -7.076 -14.549 8.457
299 HA SER 40 HA SER 40 -5.855 -15.730 6.257
300 HB2 SER 40 1HB SER 40 -7.581 -16.676 7.990
301 HB3 SER 40 2HB SER 40 -8.773 -16.182 6.788
302 HG SER 40 HG SER 40 -7.407 -17.430 5.269
303 H SER 41 H SER 41 -9.033 -14.104 6.294
304 HA SER 41 HA SER 41 -8.491 -13.013 3.647
305 HB2 SER 41 1HB SER 41 -10.951 -14.691 4.201
306 HB3 SER 41 2HB SER 41 -10.578 -13.854 2.694
307 HG SER 41 HG SER 41 -8.807 -15.218 2.422
308 H GLY 42 H GLY 42 -9.623 -11.142 3.188
309 HA2 GLY 42 1HA GLY 42 -11.529 -10.211 5.234
310 HA3 GLY 42 2HA GLY 42 -10.175 -9.194 4.764
311 HA PRO 43 HA PRO 43 -12.951 -9.449 0.826
312 HB2 PRO 43 1HB PRO 43 -15.288 -10.814 1.037
313 HB3 PRO 43 2HB PRO 43 -13.772 -11.575 0.538
314 HG2 PRO 43 1HG PRO 43 -15.095 -11.569 3.224
315 HG3 PRO 43 2HG PRO 43 -14.314 -12.909 2.364
316 HD2 PRO 43 1HD PRO 43 -13.084 -11.538 4.349
317 HD3 PRO 43 2HD PRO 43 -12.197 -12.236 2.979
318 H SER 44 H SER 44 -13.706 -8.608 3.925
319 HA SER 44 HA SER 44 -16.215 -7.261 3.344
320 HB2 SER 44 1HB SER 44 -14.541 -7.608 5.820
321 HB3 SER 44 2HB SER 44 -15.849 -6.426 5.771
322 HG SER 44 HG SER 44 -15.964 -9.137 5.994
323 H SER 45 H SER 45 -16.516 -5.012 3.447
324 HA SER 45 HA SER 45 -14.094 -3.477 2.812
325 HB2 SER 45 1HB SER 45 -16.991 -3.143 2.084
326 HB3 SER 45 2HB SER 45 -15.878 -1.779 1.983
327 HG SER 45 HG SER 45 -14.581 -3.602 0.785
328 H GLY 46 H GLY 46 -13.705 -1.456 3.767
329 HA2 GLY 46 1HA GLY 46 -15.418 -0.676 6.013
330 HA3 GLY 46 2HA GLY 46 -13.736 -1.053 6.358
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -18.936 20.499 -17.867
2 HA2 GLY 1 1HA GLY 1 -21.153 19.258 -16.438
3 HA3 GLY 1 2HA GLY 1 -20.256 18.216 -17.532
4 H SER 2 H SER 2 -19.677 16.922 -15.712
5 HA SER 2 HA SER 2 -18.439 17.730 -13.394
6 HB2 SER 2 1HB SER 2 -18.256 15.241 -15.048
7 HB3 SER 2 2HB SER 2 -17.167 15.439 -13.675
8 HG SER 2 HG SER 2 -19.154 15.904 -12.445
9 H SER 3 H SER 3 -16.953 19.341 -13.496
10 HA SER 3 HA SER 3 -14.910 19.553 -15.426
11 HB2 SER 3 1HB SER 3 -15.409 20.816 -12.751
12 HB3 SER 3 2HB SER 3 -13.865 21.071 -13.564
13 HG SER 3 HG SER 3 -16.453 21.820 -14.392
14 H GLY 4 H GLY 4 -12.687 19.134 -15.294
15 HA2 GLY 4 1HA GLY 4 -11.976 16.690 -14.082
16 HA3 GLY 4 2HA GLY 4 -10.859 17.829 -14.820
17 H SER 5 H SER 5 -11.409 16.228 -12.072
18 HA SER 5 HA SER 5 -10.685 18.418 -10.269
19 HB2 SER 5 1HB SER 5 -11.350 17.037 -8.476
20 HB3 SER 5 2HB SER 5 -12.527 16.697 -9.745
21 HG SER 5 HG SER 5 -11.195 14.924 -8.500
22 H SER 6 H SER 6 -8.612 18.799 -9.910
23 HA SER 6 HA SER 6 -6.452 17.425 -10.842
24 HB2 SER 6 1HB SER 6 -6.222 19.641 -9.880
25 HB3 SER 6 2HB SER 6 -6.639 19.028 -8.280
26 HG SER 6 HG SER 6 -4.727 17.743 -8.389
27 H GLY 7 H GLY 7 -7.575 17.212 -7.455
28 HA2 GLY 7 1HA GLY 7 -7.812 14.595 -7.017
29 HA3 GLY 7 2HA GLY 7 -6.064 14.746 -7.116
30 H SER 8 H SER 8 -8.900 15.391 -5.230
31 HA SER 8 HA SER 8 -7.489 16.868 -3.191
32 HB2 SER 8 1HB SER 8 -10.291 15.727 -3.271
33 HB3 SER 8 2HB SER 8 -9.656 16.717 -1.957
34 HG SER 8 HG SER 8 -9.460 18.431 -3.368
35 H GLY 9 H GLY 9 -6.920 16.153 -1.151
36 HA2 GLY 9 1HA GLY 9 -7.139 14.376 0.556
37 HA3 GLY 9 2HA GLY 9 -7.022 13.223 -0.765
38 H LYS 10 H LYS 10 -5.218 15.837 0.826
39 HA LYS 10 HA LYS 10 -2.708 15.205 -0.274
40 HB2 LYS 10 1HB LYS 10 -3.647 16.761 2.096
41 HB3 LYS 10 2HB LYS 10 -1.938 16.363 1.978
42 HG2 LYS 10 1HG LYS 10 -3.411 17.691 -0.271
43 HG3 LYS 10 2HG LYS 10 -2.693 18.610 1.054
44 HD2 LYS 10 1HD LYS 10 -0.510 17.838 0.516
45 HD3 LYS 10 2HD LYS 10 -1.143 16.634 -0.608
46 HE2 LYS 10 1HE LYS 10 -2.017 18.490 -2.010
47 HE3 LYS 10 2HE LYS 10 -1.227 19.632 -0.924
48 HZ1 LYS 10 3HZ LYS 10 0.672 19.338 -1.996
49 HZ2 LYS 10 1HZ LYS 10 -0.122 18.350 -3.117
50 HZ3 LYS 10 2HZ LYS 10 0.617 17.664 -1.759
51 H LYS 11 H LYS 11 -2.204 13.051 -0.173
52 HA LYS 11 HA LYS 11 -1.076 12.100 2.265
53 HB2 LYS 11 1HB LYS 11 -2.490 10.151 2.601
54 HB3 LYS 11 2HB LYS 11 -3.452 11.619 2.717
55 HG2 LYS 11 1HG LYS 11 -4.081 11.234 0.295
56 HG3 LYS 11 2HG LYS 11 -3.362 9.631 0.469
57 HD2 LYS 11 1HD LYS 11 -5.562 9.184 0.972
58 HD3 LYS 11 2HD LYS 11 -4.908 9.500 2.580
59 HE2 LYS 11 1HE LYS 11 -5.612 11.961 2.068
60 HE3 LYS 11 2HE LYS 11 -6.670 11.208 0.875
61 HZ1 LYS 11 3HZ LYS 11 -6.759 9.990 3.491
62 HZ2 LYS 11 1HZ LYS 11 -8.023 10.427 2.455
63 HZ3 LYS 11 2HZ LYS 11 -7.309 11.590 3.453
64 HA PRO 12 HA PRO 12 1.351 9.933 -0.700
65 HB2 PRO 12 1HB PRO 12 2.511 8.108 0.941
66 HB3 PRO 12 2HB PRO 12 2.966 9.816 0.930
67 HG2 PRO 12 1HG PRO 12 1.152 8.351 2.807
68 HG3 PRO 12 2HG PRO 12 2.395 9.563 3.169
69 HD2 PRO 12 1HD PRO 12 -0.243 10.166 3.069
70 HD3 PRO 12 2HD PRO 12 1.020 11.325 2.605
71 H TYR 13 H TYR 13 0.961 7.206 1.405
72 HA TYR 13 HA TYR 13 -0.579 5.841 -0.699
73 HB2 TYR 13 1HB TYR 13 1.296 4.709 1.386
74 HB3 TYR 13 2HB TYR 13 0.355 3.740 0.258
75 HD1 TYR 13 HD1 TYR 13 0.915 3.711 -2.126
76 HD2 TYR 13 HD2 TYR 13 3.253 5.920 0.660
77 HE1 TYR 13 HE1 TYR 13 2.717 3.891 -3.790
78 HE2 TYR 13 HE2 TYR 13 5.061 6.108 -0.997
79 HH TYR 13 HH TYR 13 5.050 6.014 -3.751
80 H GLU 14 H GLU 14 -1.853 3.901 0.240
81 HA GLU 14 HA GLU 14 -2.970 4.371 2.873
82 HB2 GLU 14 1HB GLU 14 -4.415 4.998 0.349
83 HB3 GLU 14 2HB GLU 14 -5.327 4.204 1.625
84 HG2 GLU 14 1HG GLU 14 -3.722 6.686 2.127
85 HG3 GLU 14 2HG GLU 14 -5.385 6.742 1.545
86 H CYS 15 H CYS 15 -2.945 2.415 3.745
87 HA CYS 15 HA CYS 15 -2.791 0.010 2.304
88 HB2 CYS 15 1HB CYS 15 -2.183 0.560 4.786
89 HB3 CYS 15 2HB CYS 15 -3.853 0.105 5.107
90 H LYS 16 H LYS 16 -4.384 -1.837 2.672
91 HA LYS 16 HA LYS 16 -7.096 -0.840 2.110
92 HB2 LYS 16 1HB LYS 16 -5.774 -3.434 1.294
93 HB3 LYS 16 2HB LYS 16 -7.446 -3.008 0.950
94 HG2 LYS 16 1HG LYS 16 -6.567 -1.005 -0.290
95 HG3 LYS 16 2HG LYS 16 -4.955 -1.703 -0.113
96 HD2 LYS 16 1HD LYS 16 -5.646 -2.445 -2.213
97 HD3 LYS 16 2HD LYS 16 -5.989 -3.818 -1.157
98 HE2 LYS 16 1HE LYS 16 -8.334 -2.661 -0.944
99 HE3 LYS 16 2HE LYS 16 -7.867 -1.903 -2.466
100 HZ1 LYS 16 3HZ LYS 16 -9.003 -4.368 -2.174
101 HZ2 LYS 16 1HZ LYS 16 -7.373 -4.717 -2.466
102 HZ3 LYS 16 2HZ LYS 16 -8.247 -3.778 -3.568
103 H GLU 17 H GLU 17 -5.220 -2.512 4.370
104 HA GLU 17 HA GLU 17 -7.525 -3.942 5.478
105 HB2 GLU 17 1HB GLU 17 -4.718 -4.076 6.547
106 HB3 GLU 17 2HB GLU 17 -6.013 -5.251 6.720
107 HG2 GLU 17 1HG GLU 17 -4.841 -4.610 4.041
108 HG3 GLU 17 2HG GLU 17 -4.091 -5.784 5.120
109 H CYS 18 H CYS 18 -4.778 -2.196 6.932
110 HA CYS 18 HA CYS 18 -6.467 -1.320 9.115
111 HB2 CYS 18 1HB CYS 18 -4.384 -0.361 10.032
112 HB3 CYS 18 2HB CYS 18 -4.201 -2.061 9.615
113 H ARG 19 H ARG 19 -5.760 -0.192 6.061
114 HA ARG 19 HA ARG 19 -6.046 1.791 4.982
115 HB2 ARG 19 1HB ARG 19 -7.660 2.693 7.360
116 HB3 ARG 19 2HB ARG 19 -7.852 3.154 5.674
117 HG2 ARG 19 1HG ARG 19 -8.196 0.294 6.402
118 HG3 ARG 19 2HG ARG 19 -9.474 1.437 6.824
119 HD2 ARG 19 1HD ARG 19 -8.325 1.015 4.067
120 HD3 ARG 19 2HD ARG 19 -9.867 0.386 4.644
121 HE ARG 19 HE ARG 19 -9.590 3.250 4.846
122 HH11 ARG 19 1HH1 ARG 19 -10.588 0.575 2.854
123 HH12 ARG 19 2HH1 ARG 19 -11.658 1.529 1.882
124 HH21 ARG 19 1HH2 ARG 19 -10.996 4.517 3.573
125 HH22 ARG 19 2HH2 ARG 19 -11.889 3.771 2.291
126 H LYS 20 H LYS 20 -3.753 1.521 6.696
127 HA LYS 20 HA LYS 20 -3.398 4.188 7.838
128 HB2 LYS 20 1HB LYS 20 -1.706 1.689 7.944
129 HB3 LYS 20 2HB LYS 20 -1.200 3.230 8.625
130 HG2 LYS 20 1HG LYS 20 -3.107 3.205 10.137
131 HG3 LYS 20 2HG LYS 20 -3.650 1.677 9.438
132 HD2 LYS 20 1HD LYS 20 -1.799 0.505 10.304
133 HD3 LYS 20 2HD LYS 20 -0.922 1.995 10.663
134 HE2 LYS 20 1HE LYS 20 -2.832 2.519 12.276
135 HE3 LYS 20 2HE LYS 20 -3.304 0.832 12.080
136 HZ1 LYS 20 3HZ LYS 20 -1.360 1.876 13.777
137 HZ2 LYS 20 1HZ LYS 20 -0.546 0.962 12.609
138 HZ3 LYS 20 2HZ LYS 20 -1.765 0.251 13.540
139 H THR 21 H THR 21 -1.981 5.685 7.061
140 HA THR 21 HA THR 21 -1.029 5.262 4.342
141 HB THR 21 HB THR 21 -0.545 7.673 4.336
142 HG1 THR 21 HG1 THR 21 -0.031 8.043 6.488
143 HG21 THR 21 3HG2 THR 21 -3.285 7.353 5.516
144 HG22 THR 21 1HG2 THR 21 -2.888 6.658 3.945
145 HG23 THR 21 2HG2 THR 21 -2.760 8.398 4.197
146 H PHE 22 H PHE 22 1.150 6.311 3.813
147 HA PHE 22 HA PHE 22 3.125 6.026 5.936
148 HB2 PHE 22 1HB PHE 22 3.208 4.415 3.377
149 HB3 PHE 22 2HB PHE 22 4.542 4.547 4.519
150 HD1 PHE 22 HD1 PHE 22 0.966 3.535 4.328
151 HD2 PHE 22 HD2 PHE 22 4.737 3.009 6.231
152 HE1 PHE 22 HE1 PHE 22 0.055 1.638 5.602
153 HE2 PHE 22 HE2 PHE 22 3.832 1.111 7.507
154 HZ PHE 22 HZ PHE 22 1.489 0.422 7.193
155 H ILE 23 H ILE 23 4.475 7.685 5.835
156 HA ILE 23 HA ILE 23 4.428 9.655 3.881
157 HB ILE 23 HB ILE 23 6.719 8.975 5.729
158 HG12 ILE 23 1HG1 ILE 23 4.610 11.091 6.133
159 HG13 ILE 23 2HG1 ILE 23 4.402 9.447 6.728
160 HG21 ILE 23 1HG2 ILE 23 7.699 10.437 4.261
161 HG22 ILE 23 2HG2 ILE 23 6.183 11.260 3.898
162 HG23 ILE 23 3HG2 ILE 23 7.009 11.568 5.425
163 HD11 ILE 23 3HD1 ILE 23 6.825 9.997 7.738
164 HD12 ILE 23 1HD1 ILE 23 6.127 11.616 7.711
165 HD13 ILE 23 2HD1 ILE 23 5.313 10.320 8.586
166 H GLN 24 H GLN 24 6.551 6.846 4.194
167 HA GLN 24 HA GLN 24 7.654 7.465 1.534
168 HB2 GLN 24 1HB GLN 24 8.847 6.123 3.937
169 HB3 GLN 24 2HB GLN 24 9.475 5.782 2.330
170 HG2 GLN 24 1HG GLN 24 9.225 8.571 3.409
171 HG3 GLN 24 2HG GLN 24 10.657 7.575 3.659
172 HE21 GLN 24 1HE2 GLN 24 11.782 9.257 2.511
173 HE22 GLN 24 2HE2 GLN 24 11.768 9.274 0.784
174 H ILE 25 H ILE 25 8.209 5.564 0.199
175 HA ILE 25 HA ILE 25 5.985 3.745 0.112
176 HB ILE 25 HB ILE 25 6.820 4.551 -1.984
177 HG12 ILE 25 1HG1 ILE 25 7.406 2.376 -3.117
178 HG13 ILE 25 2HG1 ILE 25 7.486 1.639 -1.520
179 HG21 ILE 25 1HG2 ILE 25 9.011 5.148 -1.800
180 HG22 ILE 25 2HG2 ILE 25 9.441 3.711 -0.874
181 HG23 ILE 25 3HG2 ILE 25 9.210 3.599 -2.618
182 HD11 ILE 25 3HD1 ILE 25 5.353 1.114 -1.982
183 HD12 ILE 25 1HD1 ILE 25 5.049 2.747 -1.389
184 HD13 ILE 25 2HD1 ILE 25 5.156 2.444 -3.123
185 H GLY 26 H GLY 26 9.372 3.592 1.024
186 HA2 GLY 26 1HA GLY 26 9.763 0.838 1.066
187 HA3 GLY 26 2HA GLY 26 10.572 1.979 2.130
188 H HIS 27 H HIS 27 8.980 2.830 3.920
189 HA HIS 27 HA HIS 27 8.552 0.881 5.760
190 HB2 HIS 27 1HB HIS 27 7.254 3.543 5.331
191 HB3 HIS 27 2HB HIS 27 6.644 2.488 6.602
192 HD2 HIS 27 HD2 HIS 27 9.306 1.482 8.027
193 HE1 HIS 27 HE1 HIS 27 10.474 5.559 8.130
194 HE2 HIS 27 HE2 HIS 27 10.924 3.243 9.013
195 H LEU 28 H LEU 28 6.287 1.936 3.265
196 HA LEU 28 HA LEU 28 4.108 0.347 4.136
197 HB2 LEU 28 1HB LEU 28 3.757 2.243 2.692
198 HB3 LEU 28 2HB LEU 28 4.763 1.520 1.439
199 HG LEU 28 HG LEU 28 3.099 -0.202 1.055
200 HD11 LEU 28 1HD1 LEU 28 2.303 -0.291 3.422
201 HD12 LEU 28 2HD1 LEU 28 1.019 -0.295 2.214
202 HD13 LEU 28 3HD1 LEU 28 1.384 1.181 3.107
203 HD21 LEU 28 3HD2 LEU 28 2.039 2.617 1.069
204 HD22 LEU 28 1HD2 LEU 28 1.224 1.268 0.278
205 HD23 LEU 28 2HD2 LEU 28 2.828 1.766 -0.259
206 H ASN 29 H ASN 29 6.802 -0.217 1.948
207 HA ASN 29 HA ASN 29 5.866 -2.628 0.820
208 HB2 ASN 29 1HB ASN 29 8.494 -1.245 1.020
209 HB3 ASN 29 2HB ASN 29 8.510 -2.958 0.613
210 HD21 ASN 29 1HD2 ASN 29 6.906 0.069 -0.285
211 HD22 ASN 29 2HD2 ASN 29 6.830 -0.273 -1.977
212 H GLN 30 H GLN 30 7.466 -1.879 3.824
213 HA GLN 30 HA GLN 30 8.014 -4.670 4.411
214 HB2 GLN 30 1HB GLN 30 8.626 -2.059 5.721
215 HB3 GLN 30 2HB GLN 30 8.627 -3.513 6.711
216 HG2 GLN 30 1HG GLN 30 10.856 -2.896 5.848
217 HG3 GLN 30 2HG GLN 30 10.332 -4.508 5.364
218 HE21 GLN 30 1HE2 GLN 30 10.829 -4.977 3.359
219 HE22 GLN 30 2HE2 GLN 30 10.893 -3.872 2.032
220 H HIS 31 H HIS 31 5.580 -2.300 5.028
221 HA HIS 31 HA HIS 31 4.436 -3.664 7.294
222 HB2 HIS 31 1HB HIS 31 4.067 -1.343 7.320
223 HB3 HIS 31 2HB HIS 31 3.609 -1.305 5.620
224 HD1 HIS 31 HD1 HIS 31 2.247 -1.881 9.026
225 HD2 HIS 31 HD2 HIS 31 0.941 -2.084 5.087
226 HE1 HIS 31 HE1 HIS 31 -0.260 -2.039 9.156
227 H LYS 32 H LYS 32 3.707 -3.337 3.848
228 HA LYS 32 HA LYS 32 1.270 -4.723 3.836
229 HB2 LYS 32 1HB LYS 32 1.685 -5.048 1.426
230 HB3 LYS 32 2HB LYS 32 1.992 -3.393 1.935
231 HG2 LYS 32 1HG LYS 32 4.424 -3.980 2.063
232 HG3 LYS 32 2HG LYS 32 4.018 -5.525 1.312
233 HD2 LYS 32 1HD LYS 32 3.500 -2.796 0.131
234 HD3 LYS 32 2HD LYS 32 4.793 -3.898 -0.345
235 HE2 LYS 32 1HE LYS 32 1.851 -4.538 -0.510
236 HE3 LYS 32 2HE LYS 32 2.818 -3.941 -1.858
237 HZ1 LYS 32 3HZ LYS 32 3.499 -5.993 -2.261
238 HZ2 LYS 32 1HZ LYS 32 2.506 -6.574 -1.020
239 HZ3 LYS 32 2HZ LYS 32 4.110 -6.152 -0.692
240 H ARG 33 H ARG 33 4.333 -5.848 4.569
241 HA ARG 33 HA ARG 33 4.138 -8.479 3.460
242 HB2 ARG 33 1HB ARG 33 5.900 -7.385 5.661
243 HB3 ARG 33 2HB ARG 33 6.073 -8.977 4.934
244 HG2 ARG 33 1HG ARG 33 6.147 -6.523 3.229
245 HG3 ARG 33 2HG ARG 33 7.576 -7.041 4.125
246 HD2 ARG 33 1HD ARG 33 6.033 -8.835 2.262
247 HD3 ARG 33 2HD ARG 33 7.425 -7.877 1.760
248 HE ARG 33 HE ARG 33 8.436 -9.231 3.824
249 HH11 ARG 33 1HH1 ARG 33 6.509 -10.280 1.121
250 HH12 ARG 33 2HH1 ARG 33 7.194 -11.871 1.084
251 HH21 ARG 33 1HH2 ARG 33 9.344 -11.323 3.785
252 HH22 ARG 33 2HH2 ARG 33 8.805 -12.464 2.600
253 H VAL 34 H VAL 34 3.859 -7.202 6.778
254 HA VAL 34 HA VAL 34 3.149 -9.574 8.042
255 HB VAL 34 HB VAL 34 2.206 -8.218 9.825
256 HG11 VAL 34 1HG1 VAL 34 4.593 -6.751 8.726
257 HG12 VAL 34 2HG1 VAL 34 4.148 -6.998 10.416
258 HG13 VAL 34 3HG1 VAL 34 4.699 -8.360 9.439
259 HG21 VAL 34 3HG2 VAL 34 1.195 -6.601 7.983
260 HG22 VAL 34 1HG2 VAL 34 1.510 -6.055 9.630
261 HG23 VAL 34 2HG2 VAL 34 2.657 -5.683 8.343
262 H HIS 35 H HIS 35 1.281 -7.484 6.007
263 HA HIS 35 HA HIS 35 -1.285 -8.461 6.843
264 HB2 HIS 35 1HB HIS 35 -0.280 -6.661 4.684
265 HB3 HIS 35 2HB HIS 35 -1.886 -7.362 4.506
266 HD1 HIS 35 HD1 HIS 35 -2.714 -7.182 7.524
267 HD2 HIS 35 HD2 HIS 35 -1.042 -4.098 5.299
268 HE1 HIS 35 HE1 HIS 35 -3.414 -5.062 8.681
269 H THR 36 H THR 36 0.833 -9.025 4.049
270 HA THR 36 HA THR 36 -0.919 -11.033 2.952
271 HB THR 36 HB THR 36 0.948 -11.413 1.325
272 HG1 THR 36 HG1 THR 36 2.757 -10.114 1.450
273 HG21 THR 36 3HG2 THR 36 -0.771 -9.196 1.587
274 HG22 THR 36 1HG2 THR 36 -0.037 -9.825 0.112
275 HG23 THR 36 2HG2 THR 36 0.781 -8.565 1.037
276 H GLY 37 H GLY 37 -0.398 -11.797 5.502
277 HA2 GLY 37 1HA GLY 37 1.177 -14.233 5.063
278 HA3 GLY 37 2HA GLY 37 1.577 -13.221 6.443
279 H GLU 38 H GLU 38 -1.641 -13.925 5.160
280 HA GLU 38 HA GLU 38 -3.504 -14.774 6.159
281 HB2 GLU 38 1HB GLU 38 -1.843 -16.787 5.973
282 HB3 GLU 38 2HB GLU 38 -1.763 -16.645 7.723
283 HG2 GLU 38 1HG GLU 38 -3.397 -18.313 6.998
284 HG3 GLU 38 2HG GLU 38 -4.143 -16.995 7.901
285 H ARG 39 H ARG 39 -2.498 -12.506 7.413
286 HA ARG 39 HA ARG 39 -3.162 -13.054 10.230
287 HB2 ARG 39 1HB ARG 39 -1.019 -11.328 9.051
288 HB3 ARG 39 2HB ARG 39 -1.739 -10.876 10.591
289 HG2 ARG 39 1HG ARG 39 -1.028 -12.910 11.608
290 HG3 ARG 39 2HG ARG 39 -0.515 -13.570 10.054
291 HD2 ARG 39 1HD ARG 39 1.442 -12.845 11.198
292 HD3 ARG 39 2HD ARG 39 1.133 -11.690 9.903
293 HE ARG 39 HE ARG 39 -0.083 -10.793 12.280
294 HH11 ARG 39 1HH1 ARG 39 3.058 -11.210 10.838
295 HH12 ARG 39 2HH1 ARG 39 3.787 -9.922 11.739
296 HH21 ARG 39 1HH2 ARG 39 0.864 -9.095 13.472
297 HH22 ARG 39 2HH2 ARG 39 2.538 -8.720 13.237
298 H SER 40 H SER 40 -5.066 -12.450 8.257
299 HA SER 40 HA SER 40 -5.731 -9.631 8.700
300 HB2 SER 40 1HB SER 40 -7.250 -9.815 6.867
301 HB3 SER 40 2HB SER 40 -5.775 -10.647 6.374
302 HG SER 40 HG SER 40 -7.960 -11.708 6.075
303 H SER 41 H SER 41 -7.388 -8.993 9.948
304 HA SER 41 HA SER 41 -8.739 -11.004 11.541
305 HB2 SER 41 1HB SER 41 -8.887 -7.981 11.659
306 HB3 SER 41 2HB SER 41 -9.586 -9.089 12.840
307 HG SER 41 HG SER 41 -7.328 -8.104 13.137
308 H GLY 42 H GLY 42 -11.126 -10.627 12.015
309 HA2 GLY 42 1HA GLY 42 -12.505 -10.386 9.432
310 HA3 GLY 42 2HA GLY 42 -13.118 -11.226 10.849
311 HA PRO 43 HA PRO 43 -14.698 -6.732 10.448
312 HB2 PRO 43 1HB PRO 43 -17.135 -7.224 9.358
313 HB3 PRO 43 2HB PRO 43 -15.698 -6.886 8.385
314 HG2 PRO 43 1HG PRO 43 -16.960 -9.518 9.048
315 HG3 PRO 43 2HG PRO 43 -16.311 -8.947 7.500
316 HD2 PRO 43 1HD PRO 43 -14.932 -10.607 9.135
317 HD3 PRO 43 2HD PRO 43 -14.134 -9.405 8.101
318 H SER 44 H SER 44 -15.397 -9.643 11.899
319 HA SER 44 HA SER 44 -17.799 -9.547 13.121
320 HB2 SER 44 1HB SER 44 -15.117 -10.258 14.309
321 HB3 SER 44 2HB SER 44 -16.631 -10.496 15.182
322 HG SER 44 HG SER 44 -15.535 -12.108 13.425
323 H SER 45 H SER 45 -18.736 -7.643 13.647
324 HA SER 45 HA SER 45 -19.078 -5.605 14.636
325 HB2 SER 45 1HB SER 45 -19.286 -7.367 16.494
326 HB3 SER 45 2HB SER 45 -17.699 -6.815 17.029
327 HG SER 45 HG SER 45 -18.922 -4.623 16.795
328 H GLY 46 H GLY 46 -16.862 -5.438 13.066
329 HA2 GLY 46 1HA GLY 46 -14.840 -4.363 12.768
330 HA3 GLY 46 2HA GLY 46 -15.584 -3.158 13.808
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -25.472 17.542 2.092
2 HA2 GLY 1 1HA GLY 1 -27.383 15.818 3.360
3 HA3 GLY 1 2HA GLY 1 -26.994 15.296 1.728
4 H SER 2 H SER 2 -26.027 13.386 2.434
5 HA SER 2 HA SER 2 -23.802 13.501 4.281
6 HB2 SER 2 1HB SER 2 -25.447 11.586 4.183
7 HB3 SER 2 2HB SER 2 -24.720 11.132 2.641
8 HG SER 2 HG SER 2 -23.302 10.114 3.796
9 H SER 3 H SER 3 -24.243 12.532 0.880
10 HA SER 3 HA SER 3 -21.693 11.956 0.143
11 HB2 SER 3 1HB SER 3 -23.530 11.786 -1.431
12 HB3 SER 3 2HB SER 3 -23.732 13.538 -1.439
13 HG SER 3 HG SER 3 -21.334 12.252 -2.225
14 H GLY 4 H GLY 4 -19.805 12.979 0.173
15 HA2 GLY 4 1HA GLY 4 -19.027 15.354 -0.761
16 HA3 GLY 4 2HA GLY 4 -19.741 15.825 0.774
17 H SER 5 H SER 5 -17.793 12.984 -0.096
18 HA SER 5 HA SER 5 -16.330 12.863 2.240
19 HB2 SER 5 1HB SER 5 -15.591 12.009 -0.563
20 HB3 SER 5 2HB SER 5 -14.607 11.627 0.850
21 HG SER 5 HG SER 5 -16.132 9.968 0.270
22 H SER 6 H SER 6 -14.452 13.738 2.993
23 HA SER 6 HA SER 6 -13.559 16.174 1.670
24 HB2 SER 6 1HB SER 6 -12.471 16.718 3.753
25 HB3 SER 6 2HB SER 6 -14.093 16.134 4.122
26 HG SER 6 HG SER 6 -11.612 14.879 4.518
27 H GLY 7 H GLY 7 -11.303 16.645 1.355
28 HA2 GLY 7 1HA GLY 7 -9.269 14.693 1.621
29 HA3 GLY 7 2HA GLY 7 -9.903 14.666 -0.018
30 H SER 8 H SER 8 -8.536 16.841 2.429
31 HA SER 8 HA SER 8 -7.639 18.631 0.285
32 HB2 SER 8 1HB SER 8 -8.181 18.972 3.199
33 HB3 SER 8 2HB SER 8 -6.954 20.003 2.462
34 HG SER 8 HG SER 8 -9.237 20.757 2.454
35 H GLY 9 H GLY 9 -6.416 16.925 3.155
36 HA2 GLY 9 1HA GLY 9 -3.726 17.633 2.922
37 HA3 GLY 9 2HA GLY 9 -4.317 16.160 3.678
38 H LYS 10 H LYS 10 -1.963 16.759 1.908
39 HA LYS 10 HA LYS 10 -2.532 15.210 -0.482
40 HB2 LYS 10 1HB LYS 10 -0.951 17.274 -0.258
41 HB3 LYS 10 2HB LYS 10 0.212 16.099 0.341
42 HG2 LYS 10 1HG LYS 10 0.719 16.175 -1.898
43 HG3 LYS 10 2HG LYS 10 -0.381 14.796 -1.825
44 HD2 LYS 10 1HD LYS 10 -1.242 15.961 -3.615
45 HD3 LYS 10 2HD LYS 10 -2.209 16.611 -2.289
46 HE2 LYS 10 1HE LYS 10 -1.105 18.635 -2.301
47 HE3 LYS 10 2HE LYS 10 0.351 17.956 -3.027
48 HZ1 LYS 10 3HZ LYS 10 -0.513 18.097 -5.117
49 HZ2 LYS 10 1HZ LYS 10 -1.288 19.426 -4.413
50 HZ3 LYS 10 2HZ LYS 10 -2.120 17.965 -4.604
51 H LYS 11 H LYS 11 -3.044 13.614 1.606
52 HA LYS 11 HA LYS 11 -1.145 12.156 2.879
53 HB2 LYS 11 1HB LYS 11 -2.694 10.155 2.535
54 HB3 LYS 11 2HB LYS 11 -3.391 11.581 3.292
55 HG2 LYS 11 1HG LYS 11 -4.698 12.077 1.479
56 HG3 LYS 11 2HG LYS 11 -3.614 11.274 0.340
57 HD2 LYS 11 1HD LYS 11 -4.985 9.614 2.396
58 HD3 LYS 11 2HD LYS 11 -5.935 10.211 1.033
59 HE2 LYS 11 1HE LYS 11 -5.170 8.158 0.270
60 HE3 LYS 11 2HE LYS 11 -4.003 9.289 -0.414
61 HZ1 LYS 11 3HZ LYS 11 -3.533 7.907 2.160
62 HZ2 LYS 11 1HZ LYS 11 -2.407 8.701 1.178
63 HZ3 LYS 11 2HZ LYS 11 -3.076 7.229 0.679
64 HA PRO 12 HA PRO 12 1.425 10.292 -0.176
65 HB2 PRO 12 1HB PRO 12 2.449 8.273 1.323
66 HB3 PRO 12 2HB PRO 12 2.938 9.960 1.521
67 HG2 PRO 12 1HG PRO 12 0.986 8.352 3.123
68 HG3 PRO 12 2HG PRO 12 2.229 9.486 3.685
69 HD2 PRO 12 1HD PRO 12 -0.386 10.165 3.499
70 HD3 PRO 12 2HD PRO 12 0.925 11.333 3.236
71 H TYR 13 H TYR 13 0.859 7.367 1.596
72 HA TYR 13 HA TYR 13 -0.648 6.299 -0.699
73 HB2 TYR 13 1HB TYR 13 1.338 4.981 1.149
74 HB3 TYR 13 2HB TYR 13 0.266 4.058 0.101
75 HD1 TYR 13 HD2 TYR 13 2.819 6.774 -0.016
76 HD2 TYR 13 HD1 TYR 13 0.937 3.555 -2.066
77 HE1 TYR 13 HE2 TYR 13 4.424 7.020 -1.864
78 HE2 TYR 13 HE1 TYR 13 2.537 3.791 -3.918
79 HH TYR 13 HH TYR 13 5.325 5.197 -3.771
80 H GLU 14 H GLU 14 -1.717 4.065 0.148
81 HA GLU 14 HA GLU 14 -2.952 4.378 2.751
82 HB2 GLU 14 1HB GLU 14 -4.384 5.786 1.374
83 HB3 GLU 14 2HB GLU 14 -4.584 4.485 0.209
84 HG2 GLU 14 1HG GLU 14 -5.482 3.200 2.333
85 HG3 GLU 14 2HG GLU 14 -5.807 4.842 2.886
86 H CYS 15 H CYS 15 -3.270 2.445 3.645
87 HA CYS 15 HA CYS 15 -2.642 0.065 2.199
88 HB2 CYS 15 1HB CYS 15 -2.371 0.681 4.762
89 HB3 CYS 15 2HB CYS 15 -3.973 -0.043 4.869
90 H LYS 16 H LYS 16 -4.229 -1.907 2.789
91 HA LYS 16 HA LYS 16 -6.891 -1.111 1.803
92 HB2 LYS 16 1HB LYS 16 -5.230 -3.557 1.213
93 HB3 LYS 16 2HB LYS 16 -6.954 -3.487 0.872
94 HG2 LYS 16 1HG LYS 16 -6.154 -2.851 -1.152
95 HG3 LYS 16 2HG LYS 16 -6.246 -1.266 -0.380
96 HD2 LYS 16 1HD LYS 16 -4.112 -1.167 -1.184
97 HD3 LYS 16 2HD LYS 16 -3.791 -1.907 0.386
98 HE2 LYS 16 1HE LYS 16 -4.371 -3.656 -1.959
99 HE3 LYS 16 2HE LYS 16 -2.777 -2.918 -1.814
100 HZ1 LYS 16 3HZ LYS 16 -4.093 -4.717 0.145
101 HZ2 LYS 16 1HZ LYS 16 -2.645 -3.895 0.442
102 HZ3 LYS 16 2HZ LYS 16 -2.723 -5.053 -0.787
103 H GLU 17 H GLU 17 -5.083 -3.127 4.025
104 HA GLU 17 HA GLU 17 -7.500 -4.309 5.123
105 HB2 GLU 17 1HB GLU 17 -5.649 -5.797 4.998
106 HB3 GLU 17 2HB GLU 17 -4.570 -4.631 5.751
107 HG2 GLU 17 1HG GLU 17 -5.005 -6.199 7.418
108 HG3 GLU 17 2HG GLU 17 -6.046 -4.832 7.811
109 H CYS 18 H CYS 18 -4.715 -2.762 6.717
110 HA CYS 18 HA CYS 18 -6.357 -1.882 8.902
111 HB2 CYS 18 1HB CYS 18 -4.359 -1.137 9.915
112 HB3 CYS 18 2HB CYS 18 -3.902 -2.585 9.024
113 H ARG 19 H ARG 19 -5.685 -0.664 5.844
114 HA ARG 19 HA ARG 19 -5.983 1.350 4.822
115 HB2 ARG 19 1HB ARG 19 -7.860 1.950 7.108
116 HB3 ARG 19 2HB ARG 19 -7.921 2.594 5.472
117 HG2 ARG 19 1HG ARG 19 -8.316 -0.309 6.158
118 HG3 ARG 19 2HG ARG 19 -9.627 0.855 5.955
119 HD2 ARG 19 1HD ARG 19 -8.470 1.318 3.660
120 HD3 ARG 19 2HD ARG 19 -7.752 -0.271 3.921
121 HE ARG 19 HE ARG 19 -9.801 -1.234 3.529
122 HH11 ARG 19 1HH1 ARG 19 -10.184 2.200 3.949
123 HH12 ARG 19 2HH1 ARG 19 -11.839 2.210 3.436
124 HH21 ARG 19 1HH2 ARG 19 -11.979 -1.234 2.852
125 HH22 ARG 19 2HH2 ARG 19 -12.859 0.256 2.814
126 H LYS 20 H LYS 20 -3.682 1.426 6.118
127 HA LYS 20 HA LYS 20 -3.668 3.973 7.598
128 HB2 LYS 20 1HB LYS 20 -2.829 1.987 8.844
129 HB3 LYS 20 2HB LYS 20 -1.574 1.791 7.628
130 HG2 LYS 20 1HG LYS 20 -0.928 4.214 8.230
131 HG3 LYS 20 2HG LYS 20 -1.885 3.937 9.687
132 HD2 LYS 20 1HD LYS 20 -0.502 2.048 10.284
133 HD3 LYS 20 2HD LYS 20 0.398 2.189 8.772
134 HE2 LYS 20 1HE LYS 20 1.828 3.294 10.162
135 HE3 LYS 20 2HE LYS 20 0.807 4.644 9.669
136 HZ1 LYS 20 3HZ LYS 20 1.259 3.677 12.250
137 HZ2 LYS 20 1HZ LYS 20 -0.370 3.402 11.886
138 HZ3 LYS 20 2HZ LYS 20 0.269 4.964 11.776
139 H THR 21 H THR 21 -2.000 5.487 7.147
140 HA THR 21 HA THR 21 -1.163 5.429 4.352
141 HB THR 21 HB THR 21 -0.642 7.788 4.611
142 HG1 THR 21 HG1 THR 21 -0.168 7.294 7.047
143 HG21 THR 21 3HG2 THR 21 -3.214 7.700 6.063
144 HG22 THR 21 1HG2 THR 21 -3.129 6.753 4.578
145 HG23 THR 21 2HG2 THR 21 -2.798 8.484 4.539
146 H PHE 22 H PHE 22 1.045 6.499 3.932
147 HA PHE 22 HA PHE 22 3.067 5.941 5.927
148 HB2 PHE 22 1HB PHE 22 3.083 4.471 3.283
149 HB3 PHE 22 2HB PHE 22 4.347 4.408 4.506
150 HD1 PHE 22 HD1 PHE 22 0.782 3.605 3.892
151 HD2 PHE 22 HD2 PHE 22 4.246 2.862 6.251
152 HE1 PHE 22 HE1 PHE 22 -0.361 1.709 4.965
153 HE2 PHE 22 HE2 PHE 22 3.109 0.964 7.327
154 HZ PHE 22 HZ PHE 22 0.803 0.385 6.685
155 H ILE 23 H ILE 23 4.323 7.672 5.876
156 HA ILE 23 HA ILE 23 4.368 9.706 4.083
157 HB ILE 23 HB ILE 23 6.841 8.724 5.508
158 HG12 ILE 23 1HG1 ILE 23 5.913 10.637 7.132
159 HG13 ILE 23 2HG1 ILE 23 4.376 10.082 6.477
160 HG21 ILE 23 1HG2 ILE 23 7.788 10.469 4.501
161 HG22 ILE 23 2HG2 ILE 23 6.237 11.043 3.890
162 HG23 ILE 23 3HG2 ILE 23 6.770 11.498 5.509
163 HD11 ILE 23 3HD1 ILE 23 4.397 8.272 7.752
164 HD12 ILE 23 1HD1 ILE 23 6.050 7.871 7.285
165 HD13 ILE 23 2HD1 ILE 23 5.756 8.999 8.609
166 H GLN 24 H GLN 24 6.634 6.954 4.043
167 HA GLN 24 HA GLN 24 7.176 7.567 1.213
168 HB2 GLN 24 1HB GLN 24 8.934 6.309 3.318
169 HB3 GLN 24 2HB GLN 24 9.318 6.269 1.602
170 HG2 GLN 24 1HG GLN 24 9.008 8.859 1.780
171 HG3 GLN 24 2HG GLN 24 9.314 8.568 3.491
172 HE21 GLN 24 1HE2 GLN 24 10.759 9.492 0.768
173 HE22 GLN 24 2HE2 GLN 24 12.366 8.923 1.047
174 H ILE 25 H ILE 25 7.436 5.794 -0.238
175 HA ILE 25 HA ILE 25 5.493 3.799 0.001
176 HB ILE 25 HB ILE 25 6.286 4.465 -2.176
177 HG12 ILE 25 1HG1 ILE 25 7.243 1.630 -1.871
178 HG13 ILE 25 2HG1 ILE 25 5.544 2.039 -1.656
179 HG21 ILE 25 1HG2 ILE 25 8.653 4.865 -1.366
180 HG22 ILE 25 2HG2 ILE 25 8.920 3.138 -1.599
181 HG23 ILE 25 3HG2 ILE 25 8.484 4.156 -2.972
182 HD11 ILE 25 3HD1 ILE 25 7.122 2.669 -4.135
183 HD12 ILE 25 1HD1 ILE 25 6.135 1.223 -3.925
184 HD13 ILE 25 2HD1 ILE 25 5.381 2.817 -3.903
185 H GLY 26 H GLY 26 9.022 3.606 0.417
186 HA2 GLY 26 1HA GLY 26 9.394 0.937 0.835
187 HA3 GLY 26 2HA GLY 26 10.273 2.174 1.721
188 H HIS 27 H HIS 27 8.365 3.270 3.318
189 HA HIS 27 HA HIS 27 8.229 1.509 5.466
190 HB2 HIS 27 1HB HIS 27 7.960 4.062 5.446
191 HB3 HIS 27 2HB HIS 27 6.266 3.761 5.070
192 HD2 HIS 27 HD2 HIS 27 7.863 1.368 7.655
193 HE1 HIS 27 HE1 HIS 27 5.460 4.155 9.767
194 HE2 HIS 27 HE2 HIS 27 6.875 2.078 9.937
195 H LEU 28 H LEU 28 6.010 2.019 2.819
196 HA LEU 28 HA LEU 28 3.886 0.483 4.029
197 HB2 LEU 28 1HB LEU 28 3.206 2.231 2.587
198 HB3 LEU 28 2HB LEU 28 4.289 1.691 1.306
199 HG LEU 28 HG LEU 28 2.872 -0.309 0.997
200 HD11 LEU 28 1HD1 LEU 28 1.907 -0.579 3.156
201 HD12 LEU 28 2HD1 LEU 28 0.593 -0.248 2.028
202 HD13 LEU 28 3HD1 LEU 28 1.179 1.026 3.098
203 HD21 LEU 28 3HD2 LEU 28 1.545 2.386 0.772
204 HD22 LEU 28 1HD2 LEU 28 0.913 0.914 0.035
205 HD23 LEU 28 2HD2 LEU 28 2.486 1.541 -0.458
206 H ASN 29 H ASN 29 6.254 0.024 1.429
207 HA ASN 29 HA ASN 29 5.501 -2.391 0.402
208 HB2 ASN 29 1HB ASN 29 8.135 -1.070 0.820
209 HB3 ASN 29 2HB ASN 29 8.148 -2.775 0.378
210 HD21 ASN 29 1HD2 ASN 29 8.799 -0.122 -0.999
211 HD22 ASN 29 2HD2 ASN 29 8.013 -0.263 -2.531
212 H GLN 30 H GLN 30 7.590 -1.919 3.249
213 HA GLN 30 HA GLN 30 7.743 -4.689 3.866
214 HB2 GLN 30 1HB GLN 30 9.449 -3.094 4.608
215 HB3 GLN 30 2HB GLN 30 8.260 -2.279 5.616
216 HG2 GLN 30 1HG GLN 30 8.099 -4.118 7.083
217 HG3 GLN 30 2HG GLN 30 8.970 -5.173 5.972
218 HE21 GLN 30 1HE2 GLN 30 10.745 -5.717 7.055
219 HE22 GLN 30 2HE2 GLN 30 11.873 -4.607 7.748
220 H HIS 31 H HIS 31 5.825 -2.009 5.187
221 HA HIS 31 HA HIS 31 4.538 -3.212 7.267
222 HB2 HIS 31 1HB HIS 31 4.055 -0.937 6.898
223 HB3 HIS 31 2HB HIS 31 3.548 -1.224 5.236
224 HD1 HIS 31 HD1 HIS 31 2.345 -1.512 8.777
225 HD2 HIS 31 HD2 HIS 31 0.887 -1.961 4.913
226 HE1 HIS 31 HE1 HIS 31 -0.151 -1.706 9.018
227 H LYS 32 H LYS 32 4.260 -3.990 3.934
228 HA LYS 32 HA LYS 32 1.745 -5.406 4.234
229 HB2 LYS 32 1HB LYS 32 3.659 -5.165 1.906
230 HB3 LYS 32 2HB LYS 32 2.135 -6.042 1.847
231 HG2 LYS 32 1HG LYS 32 0.929 -3.967 2.336
232 HG3 LYS 32 2HG LYS 32 2.462 -3.092 2.363
233 HD2 LYS 32 1HD LYS 32 2.855 -3.691 0.030
234 HD3 LYS 32 2HD LYS 32 1.342 -4.600 -0.001
235 HE2 LYS 32 1HE LYS 32 0.046 -2.645 0.212
236 HE3 LYS 32 2HE LYS 32 1.438 -1.679 0.700
237 HZ1 LYS 32 3HZ LYS 32 2.258 -1.635 -1.461
238 HZ2 LYS 32 1HZ LYS 32 0.592 -1.433 -1.675
239 HZ3 LYS 32 2HZ LYS 32 1.306 -2.938 -1.969
240 H ARG 33 H ARG 33 4.357 -6.142 5.640
241 HA ARG 33 HA ARG 33 4.833 -8.817 4.586
242 HB2 ARG 33 1HB ARG 33 6.679 -8.931 6.114
243 HB3 ARG 33 2HB ARG 33 6.722 -7.357 5.330
244 HG2 ARG 33 1HG ARG 33 5.806 -6.301 7.286
245 HG3 ARG 33 2HG ARG 33 5.580 -7.867 8.068
246 HD2 ARG 33 1HD ARG 33 8.262 -6.816 7.189
247 HD3 ARG 33 2HD ARG 33 7.604 -6.569 8.806
248 HE ARG 33 HE ARG 33 7.470 -9.272 8.396
249 HH11 ARG 33 1HH1 ARG 33 9.990 -6.870 8.339
250 HH12 ARG 33 2HH1 ARG 33 11.230 -7.972 8.841
251 HH21 ARG 33 1HH2 ARG 33 9.093 -10.731 9.057
252 HH22 ARG 33 2HH2 ARG 33 10.719 -10.167 9.249
253 H VAL 34 H VAL 34 3.377 -7.217 7.347
254 HA VAL 34 HA VAL 34 2.865 -9.730 8.710
255 HB VAL 34 HB VAL 34 1.786 -8.362 10.433
256 HG11 VAL 34 1HG1 VAL 34 4.432 -8.544 9.932
257 HG12 VAL 34 2HG1 VAL 34 4.231 -6.791 9.964
258 HG13 VAL 34 3HG1 VAL 34 3.751 -7.760 11.357
259 HG21 VAL 34 3HG2 VAL 34 2.243 -5.775 10.017
260 HG22 VAL 34 1HG2 VAL 34 2.022 -6.276 8.340
261 HG23 VAL 34 2HG2 VAL 34 0.742 -6.556 9.520
262 H HIS 35 H HIS 35 1.195 -7.434 6.688
263 HA HIS 35 HA HIS 35 -1.451 -8.268 7.267
264 HB2 HIS 35 1HB HIS 35 -0.139 -6.653 5.135
265 HB3 HIS 35 2HB HIS 35 -1.753 -7.278 4.811
266 HD1 HIS 35 HD1 HIS 35 -2.892 -6.903 7.708
267 HD2 HIS 35 HD2 HIS 35 -0.816 -4.026 5.545
268 HE1 HIS 35 HE1 HIS 35 -3.591 -4.693 8.684
269 H THR 36 H THR 36 0.919 -9.245 4.835
270 HA THR 36 HA THR 36 -0.898 -11.126 3.608
271 HB THR 36 HB THR 36 2.063 -10.691 3.172
272 HG1 THR 36 HG1 THR 36 1.448 -9.379 1.551
273 HG21 THR 36 3HG2 THR 36 2.055 -12.266 1.523
274 HG22 THR 36 1HG2 THR 36 0.346 -12.033 1.156
275 HG23 THR 36 2HG2 THR 36 0.825 -12.974 2.570
276 H GLY 37 H GLY 37 -1.254 -13.126 4.303
277 HA2 GLY 37 1HA GLY 37 0.207 -15.213 4.816
278 HA3 GLY 37 2HA GLY 37 0.615 -14.286 6.252
279 H GLU 38 H GLU 38 -2.101 -15.711 4.482
280 HA GLU 38 HA GLU 38 -3.250 -16.721 6.894
281 HB2 GLU 38 1HB GLU 38 -3.920 -14.175 6.612
282 HB3 GLU 38 2HB GLU 38 -5.093 -14.842 5.486
283 HG2 GLU 38 1HG GLU 38 -6.239 -14.714 7.504
284 HG3 GLU 38 2HG GLU 38 -5.767 -16.408 7.382
285 H ARG 39 H ARG 39 -5.210 -17.989 6.487
286 HA ARG 39 HA ARG 39 -5.022 -19.775 4.458
287 HB2 ARG 39 1HB ARG 39 -6.554 -20.034 6.356
288 HB3 ARG 39 2HB ARG 39 -7.596 -18.782 5.694
289 HG2 ARG 39 1HG ARG 39 -7.589 -20.402 3.599
290 HG3 ARG 39 2HG ARG 39 -7.236 -21.598 4.848
291 HD2 ARG 39 1HD ARG 39 -9.541 -19.659 4.957
292 HD3 ARG 39 2HD ARG 39 -9.665 -21.310 4.348
293 HE ARG 39 HE ARG 39 -8.621 -21.666 6.804
294 HH11 ARG 39 1HH1 ARG 39 -11.363 -19.861 5.646
295 HH12 ARG 39 2HH1 ARG 39 -12.272 -20.053 7.109
296 HH21 ARG 39 1HH2 ARG 39 -9.807 -21.925 8.735
297 HH22 ARG 39 2HH2 ARG 39 -11.385 -21.226 8.866
298 H SER 40 H SER 40 -5.503 -19.905 2.340
299 HA SER 40 HA SER 40 -6.893 -17.613 1.114
300 HB2 SER 40 1HB SER 40 -5.439 -17.973 -0.887
301 HB3 SER 40 2HB SER 40 -4.542 -17.478 0.549
302 HG SER 40 HG SER 40 -4.197 -19.652 -0.931
303 H SER 41 H SER 41 -8.445 -18.041 -0.378
304 HA SER 41 HA SER 41 -9.155 -20.866 -0.735
305 HB2 SER 41 1HB SER 41 -10.722 -18.314 -0.718
306 HB3 SER 41 2HB SER 41 -11.351 -19.699 -1.610
307 HG SER 41 HG SER 41 -11.271 -20.901 0.310
308 H GLY 42 H GLY 42 -8.783 -21.814 -2.621
309 HA2 GLY 42 1HA GLY 42 -8.081 -20.161 -4.927
310 HA3 GLY 42 2HA GLY 42 -7.815 -21.891 -4.769
311 HA PRO 43 HA PRO 43 -11.809 -20.739 -7.160
312 HB2 PRO 43 1HB PRO 43 -10.876 -20.841 -9.707
313 HB3 PRO 43 2HB PRO 43 -10.923 -19.349 -8.760
314 HG2 PRO 43 1HG PRO 43 -8.622 -21.193 -9.276
315 HG3 PRO 43 2HG PRO 43 -8.660 -19.420 -9.291
316 HD2 PRO 43 1HD PRO 43 -7.712 -20.839 -7.189
317 HD3 PRO 43 2HD PRO 43 -8.524 -19.272 -6.995
318 H SER 44 H SER 44 -12.729 -22.136 -9.025
319 HA SER 44 HA SER 44 -12.281 -24.891 -8.301
320 HB2 SER 44 1HB SER 44 -14.143 -23.778 -10.411
321 HB3 SER 44 2HB SER 44 -14.213 -25.380 -9.676
322 HG SER 44 HG SER 44 -15.706 -23.885 -8.745
323 H SER 45 H SER 45 -10.159 -25.243 -9.073
324 HA SER 45 HA SER 45 -10.071 -25.834 -11.936
325 HB2 SER 45 1HB SER 45 -7.780 -24.866 -12.098
326 HB3 SER 45 2HB SER 45 -9.018 -23.652 -11.780
327 HG SER 45 HG SER 45 -8.413 -23.976 -9.488
328 H GLY 46 H GLY 46 -8.105 -27.174 -12.483
329 HA2 GLY 46 1HA GLY 46 -8.056 -29.537 -11.099
330 HA3 GLY 46 2HA GLY 46 -6.728 -28.981 -12.106
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -30.220 8.877 -3.858
2 HA2 GLY 1 1HA GLY 1 -28.823 8.518 -5.890
3 HA3 GLY 1 2HA GLY 1 -29.563 9.982 -6.520
4 H SER 2 H SER 2 -26.842 8.783 -5.129
5 HA SER 2 HA SER 2 -26.091 11.431 -4.077
6 HB2 SER 2 1HB SER 2 -25.376 8.696 -3.014
7 HB3 SER 2 2HB SER 2 -24.499 10.156 -2.558
8 HG SER 2 HG SER 2 -26.068 9.902 -1.042
9 H SER 3 H SER 3 -24.419 12.354 -5.059
10 HA SER 3 HA SER 3 -22.481 10.651 -6.470
11 HB2 SER 3 1HB SER 3 -24.300 11.876 -7.925
12 HB3 SER 3 2HB SER 3 -23.275 13.286 -7.654
13 HG SER 3 HG SER 3 -22.020 10.934 -8.456
14 H GLY 4 H GLY 4 -20.801 10.915 -5.082
15 HA2 GLY 4 1HA GLY 4 -19.814 13.678 -4.757
16 HA3 GLY 4 2HA GLY 4 -19.823 12.554 -3.407
17 H SER 5 H SER 5 -18.672 12.714 -6.778
18 HA SER 5 HA SER 5 -16.771 10.759 -6.744
19 HB2 SER 5 1HB SER 5 -17.179 11.911 -8.789
20 HB3 SER 5 2HB SER 5 -16.717 13.462 -8.089
21 HG SER 5 HG SER 5 -15.083 12.465 -9.428
22 H SER 6 H SER 6 -15.297 10.356 -5.237
23 HA SER 6 HA SER 6 -13.563 12.562 -4.357
24 HB2 SER 6 1HB SER 6 -15.275 11.989 -2.604
25 HB3 SER 6 2HB SER 6 -14.565 10.377 -2.520
26 HG SER 6 HG SER 6 -13.819 12.298 -1.077
27 H GLY 7 H GLY 7 -11.488 12.143 -4.708
28 HA2 GLY 7 1HA GLY 7 -10.665 9.312 -4.933
29 HA3 GLY 7 2HA GLY 7 -10.001 10.594 -5.936
30 H SER 8 H SER 8 -7.882 10.149 -5.293
31 HA SER 8 HA SER 8 -7.018 9.937 -2.629
32 HB2 SER 8 1HB SER 8 -5.773 9.395 -4.854
33 HB3 SER 8 2HB SER 8 -5.265 11.082 -4.785
34 HG SER 8 HG SER 8 -3.722 10.151 -3.634
35 H GLY 9 H GLY 9 -6.038 11.423 -1.235
36 HA2 GLY 9 1HA GLY 9 -6.739 14.233 -1.805
37 HA3 GLY 9 2HA GLY 9 -6.685 13.527 -0.197
38 H LYS 10 H LYS 10 -5.162 14.726 0.793
39 HA LYS 10 HA LYS 10 -2.616 15.202 -0.568
40 HB2 LYS 10 1HB LYS 10 -4.008 16.984 0.736
41 HB3 LYS 10 2HB LYS 10 -3.294 16.243 2.162
42 HG2 LYS 10 1HG LYS 10 -1.104 16.819 1.480
43 HG3 LYS 10 2HG LYS 10 -1.653 17.269 -0.136
44 HD2 LYS 10 1HD LYS 10 -3.019 19.080 0.932
45 HD3 LYS 10 2HD LYS 10 -2.224 18.693 2.460
46 HE2 LYS 10 1HE LYS 10 -0.799 19.512 -0.070
47 HE3 LYS 10 2HE LYS 10 -1.187 20.599 1.263
48 HZ1 LYS 10 3HZ LYS 10 0.159 18.288 2.209
49 HZ2 LYS 10 1HZ LYS 10 0.595 19.916 2.362
50 HZ3 LYS 10 2HZ LYS 10 1.068 19.039 0.996
51 H LYS 11 H LYS 11 -3.081 12.552 0.140
52 HA LYS 11 HA LYS 11 -1.145 12.181 2.332
53 HB2 LYS 11 1HB LYS 11 -3.577 10.542 1.627
54 HB3 LYS 11 2HB LYS 11 -2.293 9.933 2.662
55 HG2 LYS 11 1HG LYS 11 -3.866 10.721 4.165
56 HG3 LYS 11 2HG LYS 11 -2.706 12.047 4.065
57 HD2 LYS 11 1HD LYS 11 -4.141 13.267 2.575
58 HD3 LYS 11 2HD LYS 11 -5.249 11.899 2.450
59 HE2 LYS 11 1HE LYS 11 -5.966 12.154 4.687
60 HE3 LYS 11 2HE LYS 11 -4.639 13.250 5.066
61 HZ1 LYS 11 3HZ LYS 11 -6.225 14.792 4.736
62 HZ2 LYS 11 1HZ LYS 11 -7.173 13.791 3.755
63 HZ3 LYS 11 2HZ LYS 11 -5.830 14.586 3.105
64 HA PRO 12 HA PRO 12 1.406 9.937 -0.446
65 HB2 PRO 12 1HB PRO 12 2.506 8.089 1.211
66 HB3 PRO 12 2HB PRO 12 2.943 9.801 1.256
67 HG2 PRO 12 1HG PRO 12 1.056 8.281 3.014
68 HG3 PRO 12 2HG PRO 12 2.267 9.497 3.461
69 HD2 PRO 12 1HD PRO 12 -0.370 10.076 3.245
70 HD3 PRO 12 2HD PRO 12 0.902 11.256 2.866
71 H TYR 13 H TYR 13 0.945 7.162 1.582
72 HA TYR 13 HA TYR 13 -0.500 5.835 -0.614
73 HB2 TYR 13 1HB TYR 13 1.355 4.685 1.479
74 HB3 TYR 13 2HB TYR 13 0.436 3.717 0.331
75 HD1 TYR 13 HD2 TYR 13 3.210 6.103 0.708
76 HD2 TYR 13 HD1 TYR 13 1.106 3.554 -1.972
77 HE1 TYR 13 HE2 TYR 13 5.029 6.336 -0.932
78 HE2 TYR 13 HE1 TYR 13 2.919 3.779 -3.619
79 HH TYR 13 HH TYR 13 5.095 6.089 -3.654
80 H GLU 14 H GLU 14 -1.646 3.745 0.351
81 HA GLU 14 HA GLU 14 -2.915 4.230 2.908
82 HB2 GLU 14 1HB GLU 14 -4.310 5.600 1.491
83 HB3 GLU 14 2HB GLU 14 -4.475 4.297 0.323
84 HG2 GLU 14 1HG GLU 14 -5.998 3.167 1.582
85 HG3 GLU 14 2HG GLU 14 -5.366 3.788 3.105
86 H CYS 15 H CYS 15 -2.756 2.308 3.843
87 HA CYS 15 HA CYS 15 -2.321 -0.122 2.572
88 HB2 CYS 15 1HB CYS 15 -2.165 0.619 5.108
89 HB3 CYS 15 2HB CYS 15 -3.776 -0.088 5.181
90 H LYS 16 H LYS 16 -3.872 -2.080 3.014
91 HA LYS 16 HA LYS 16 -6.467 -1.355 1.836
92 HB2 LYS 16 1HB LYS 16 -4.686 -3.742 1.592
93 HB3 LYS 16 2HB LYS 16 -6.418 -3.957 1.378
94 HG2 LYS 16 1HG LYS 16 -6.311 -2.110 -0.339
95 HG3 LYS 16 2HG LYS 16 -4.554 -2.244 -0.238
96 HD2 LYS 16 1HD LYS 16 -6.127 -4.729 -0.674
97 HD3 LYS 16 2HD LYS 16 -5.957 -3.605 -2.024
98 HE2 LYS 16 1HE LYS 16 -3.516 -3.682 -1.757
99 HE3 LYS 16 2HE LYS 16 -3.705 -4.833 -0.434
100 HZ1 LYS 16 3HZ LYS 16 -3.180 -5.936 -2.524
101 HZ2 LYS 16 1HZ LYS 16 -4.568 -5.284 -3.241
102 HZ3 LYS 16 2HZ LYS 16 -4.712 -6.391 -1.970
103 H GLU 17 H GLU 17 -4.924 -3.080 4.461
104 HA GLU 17 HA GLU 17 -7.477 -4.053 5.470
105 HB2 GLU 17 1HB GLU 17 -5.718 -5.631 5.677
106 HB3 GLU 17 2HB GLU 17 -4.621 -4.433 6.348
107 HG2 GLU 17 1HG GLU 17 -5.229 -5.710 8.182
108 HG3 GLU 17 2HG GLU 17 -6.272 -4.295 8.300
109 H CYS 18 H CYS 18 -4.759 -2.545 7.195
110 HA CYS 18 HA CYS 18 -6.519 -1.310 9.082
111 HB2 CYS 18 1HB CYS 18 -4.560 -0.531 10.173
112 HB3 CYS 18 2HB CYS 18 -4.158 -2.125 9.543
113 H ARG 19 H ARG 19 -5.616 -0.497 5.978
114 HA ARG 19 HA ARG 19 -5.650 1.414 4.731
115 HB2 ARG 19 1HB ARG 19 -7.892 1.669 6.677
116 HB3 ARG 19 2HB ARG 19 -7.491 3.075 5.700
117 HG2 ARG 19 1HG ARG 19 -9.060 2.086 4.376
118 HG3 ARG 19 2HG ARG 19 -7.596 1.340 3.733
119 HD2 ARG 19 1HD ARG 19 -9.265 -0.361 4.054
120 HD3 ARG 19 2HD ARG 19 -7.978 -0.591 5.237
121 HE ARG 19 HE ARG 19 -9.516 -0.260 6.885
122 HH11 ARG 19 1HH1 ARG 19 -10.744 1.111 3.930
123 HH12 ARG 19 2HH1 ARG 19 -12.290 1.510 4.605
124 HH21 ARG 19 1HH2 ARG 19 -11.546 0.259 7.784
125 HH22 ARG 19 2HH2 ARG 19 -12.744 1.025 6.797
126 H LYS 20 H LYS 20 -3.511 1.480 6.365
127 HA LYS 20 HA LYS 20 -3.492 4.122 7.638
128 HB2 LYS 20 1HB LYS 20 -2.673 2.140 8.923
129 HB3 LYS 20 2HB LYS 20 -1.381 1.961 7.743
130 HG2 LYS 20 1HG LYS 20 -0.427 4.060 8.368
131 HG3 LYS 20 2HG LYS 20 -1.808 4.437 9.400
132 HD2 LYS 20 1HD LYS 20 -1.228 2.418 10.764
133 HD3 LYS 20 2HD LYS 20 0.248 2.269 9.807
134 HE2 LYS 20 1HE LYS 20 0.985 3.464 11.640
135 HE3 LYS 20 2HE LYS 20 0.624 4.749 10.489
136 HZ1 LYS 20 3HZ LYS 20 -0.731 4.043 12.968
137 HZ2 LYS 20 1HZ LYS 20 -1.718 4.551 11.691
138 HZ3 LYS 20 2HZ LYS 20 -0.487 5.561 12.261
139 H THR 21 H THR 21 -1.827 5.632 7.179
140 HA THR 21 HA THR 21 -0.913 5.491 4.407
141 HB THR 21 HB THR 21 -0.425 7.879 4.617
142 HG1 THR 21 HG1 THR 21 -1.408 7.626 7.283
143 HG21 THR 21 3HG2 THR 21 -2.575 8.475 4.293
144 HG22 THR 21 1HG2 THR 21 -3.091 7.839 5.855
145 HG23 THR 21 2HG2 THR 21 -2.896 6.751 4.481
146 H PHE 22 H PHE 22 1.274 6.304 3.894
147 HA PHE 22 HA PHE 22 3.247 5.970 6.020
148 HB2 PHE 22 1HB PHE 22 3.265 4.366 3.455
149 HB3 PHE 22 2HB PHE 22 4.601 4.440 4.600
150 HD1 PHE 22 HD1 PHE 22 0.946 3.695 4.546
151 HD2 PHE 22 HD2 PHE 22 4.775 2.766 6.157
152 HE1 PHE 22 HE1 PHE 22 -0.042 1.829 5.810
153 HE2 PHE 22 HE2 PHE 22 3.793 0.898 7.423
154 HZ PHE 22 HZ PHE 22 1.382 0.427 7.249
155 H ILE 23 H ILE 23 4.458 7.733 5.943
156 HA ILE 23 HA ILE 23 4.540 9.695 4.080
157 HB ILE 23 HB ILE 23 6.893 8.754 5.724
158 HG12 ILE 23 1HG1 ILE 23 5.039 11.047 6.336
159 HG13 ILE 23 2HG1 ILE 23 4.681 9.409 6.870
160 HG21 ILE 23 1HG2 ILE 23 6.834 11.575 5.186
161 HG22 ILE 23 2HG2 ILE 23 8.108 10.400 4.862
162 HG23 ILE 23 3HG2 ILE 23 6.828 10.663 3.677
163 HD11 ILE 23 3HD1 ILE 23 6.087 9.574 8.572
164 HD12 ILE 23 1HD1 ILE 23 7.382 10.178 7.540
165 HD13 ILE 23 2HD1 ILE 23 6.191 11.295 8.206
166 H GLN 24 H GLN 24 6.722 6.886 4.162
167 HA GLN 24 HA GLN 24 7.481 7.498 1.383
168 HB2 GLN 24 1HB GLN 24 8.974 6.328 3.682
169 HB3 GLN 24 2HB GLN 24 9.377 5.764 2.066
170 HG2 GLN 24 1HG GLN 24 9.344 8.664 2.854
171 HG3 GLN 24 2HG GLN 24 10.779 7.644 2.925
172 HE21 GLN 24 1HE2 GLN 24 11.989 8.574 1.374
173 HE22 GLN 24 2HE2 GLN 24 11.537 8.673 -0.290
174 H ILE 25 H ILE 25 8.298 5.332 0.284
175 HA ILE 25 HA ILE 25 5.987 3.558 0.319
176 HB ILE 25 HB ILE 25 6.812 4.426 -1.841
177 HG12 ILE 25 1HG1 ILE 25 6.980 2.162 -2.983
178 HG13 ILE 25 2HG1 ILE 25 6.953 1.446 -1.375
179 HG21 ILE 25 1HG2 ILE 25 8.970 2.986 -2.564
180 HG22 ILE 25 2HG2 ILE 25 9.055 4.625 -1.921
181 HG23 ILE 25 3HG2 ILE 25 9.324 3.246 -0.856
182 HD11 ILE 25 3HD1 ILE 25 4.780 3.024 -1.232
183 HD12 ILE 25 1HD1 ILE 25 4.785 2.642 -2.953
184 HD13 ILE 25 2HD1 ILE 25 4.747 1.343 -1.761
185 H GLY 26 H GLY 26 9.309 3.604 1.281
186 HA2 GLY 26 1HA GLY 26 9.817 0.823 1.296
187 HA3 GLY 26 2HA GLY 26 10.665 2.027 2.255
188 H HIS 27 H HIS 27 8.724 3.002 3.889
189 HA HIS 27 HA HIS 27 8.584 1.086 5.918
190 HB2 HIS 27 1HB HIS 27 6.907 3.575 5.535
191 HB3 HIS 27 2HB HIS 27 7.022 2.655 7.032
192 HD2 HIS 27 HD2 HIS 27 10.398 3.151 5.266
193 HE1 HIS 27 HE1 HIS 27 10.166 6.012 8.390
194 HE2 HIS 27 HE2 HIS 27 11.627 4.985 6.614
195 H LEU 28 H LEU 28 6.304 1.934 3.387
196 HA LEU 28 HA LEU 28 4.179 0.321 4.465
197 HB2 LEU 28 1HB LEU 28 3.334 2.054 3.220
198 HB3 LEU 28 2HB LEU 28 4.607 1.944 2.007
199 HG LEU 28 HG LEU 28 3.499 -0.185 1.215
200 HD11 LEU 28 1HD1 LEU 28 0.956 -0.087 1.823
201 HD12 LEU 28 2HD1 LEU 28 1.547 0.699 3.286
202 HD13 LEU 28 3HD1 LEU 28 2.098 -0.924 2.874
203 HD21 LEU 28 3HD2 LEU 28 2.309 2.546 1.002
204 HD22 LEU 28 1HD2 LEU 28 1.514 1.180 0.218
205 HD23 LEU 28 2HD2 LEU 28 3.173 1.597 -0.209
206 H ASN 29 H ASN 29 6.563 0.014 1.868
207 HA ASN 29 HA ASN 29 5.745 -2.252 0.589
208 HB2 ASN 29 1HB ASN 29 8.421 -1.108 1.218
209 HB3 ASN 29 2HB ASN 29 8.369 -2.755 0.597
210 HD21 ASN 29 1HD2 ASN 29 9.092 0.086 -0.423
211 HD22 ASN 29 2HD2 ASN 29 8.389 0.110 -2.001
212 H GLN 30 H GLN 30 7.433 -2.053 3.688
213 HA GLN 30 HA GLN 30 7.579 -4.909 3.994
214 HB2 GLN 30 1HB GLN 30 9.132 -3.071 4.998
215 HB3 GLN 30 2HB GLN 30 7.906 -2.966 6.255
216 HG2 GLN 30 1HG GLN 30 9.296 -4.485 7.205
217 HG3 GLN 30 2HG GLN 30 8.233 -5.577 6.318
218 HE21 GLN 30 1HE2 GLN 30 9.029 -6.749 4.635
219 HE22 GLN 30 2HE2 GLN 30 10.701 -6.786 4.200
220 H HIS 31 H HIS 31 5.646 -2.294 5.414
221 HA HIS 31 HA HIS 31 4.171 -3.799 7.229
222 HB2 HIS 31 1HB HIS 31 4.098 -1.376 7.245
223 HB3 HIS 31 2HB HIS 31 3.350 -1.353 5.651
224 HD1 HIS 31 HD1 HIS 31 2.589 -1.813 9.255
225 HD2 HIS 31 HD2 HIS 31 0.608 -2.060 5.612
226 HE1 HIS 31 HE1 HIS 31 0.141 -1.887 9.825
227 H LYS 32 H LYS 32 3.043 -2.733 4.014
228 HA LYS 32 HA LYS 32 0.712 -4.023 3.747
229 HB2 LYS 32 1HB LYS 32 1.068 -4.151 1.376
230 HB3 LYS 32 2HB LYS 32 1.856 -2.694 1.968
231 HG2 LYS 32 1HG LYS 32 4.014 -3.836 1.915
232 HG3 LYS 32 2HG LYS 32 3.224 -5.301 1.326
233 HD2 LYS 32 1HD LYS 32 2.435 -4.006 -0.648
234 HD3 LYS 32 2HD LYS 32 3.385 -2.633 -0.075
235 HE2 LYS 32 1HE LYS 32 4.657 -3.799 -1.741
236 HE3 LYS 32 2HE LYS 32 5.410 -4.072 -0.170
237 HZ1 LYS 32 3HZ LYS 32 5.124 -6.247 -0.384
238 HZ2 LYS 32 1HZ LYS 32 4.626 -5.987 -1.981
239 HZ3 LYS 32 2HZ LYS 32 3.479 -6.076 -0.741
240 H ARG 33 H ARG 33 3.884 -5.564 3.464
241 HA ARG 33 HA ARG 33 2.908 -8.130 2.765
242 HB2 ARG 33 1HB ARG 33 5.516 -7.258 4.015
243 HB3 ARG 33 2HB ARG 33 5.185 -8.902 3.486
244 HG2 ARG 33 1HG ARG 33 4.759 -7.974 1.194
245 HG3 ARG 33 2HG ARG 33 5.370 -6.429 1.790
246 HD2 ARG 33 1HD ARG 33 7.174 -7.557 0.709
247 HD3 ARG 33 2HD ARG 33 7.474 -7.602 2.445
248 HE ARG 33 HE ARG 33 6.245 -9.942 2.053
249 HH11 ARG 33 1HH1 ARG 33 8.849 -8.395 0.337
250 HH12 ARG 33 2HH1 ARG 33 9.593 -9.885 -0.142
251 HH21 ARG 33 1HH2 ARG 33 7.215 -11.910 1.429
252 HH22 ARG 33 2HH2 ARG 33 8.662 -11.884 0.479
253 H VAL 34 H VAL 34 3.885 -6.690 5.859
254 HA VAL 34 HA VAL 34 3.768 -8.763 7.588
255 HB VAL 34 HB VAL 34 2.518 -6.049 8.036
256 HG11 VAL 34 1HG1 VAL 34 3.178 -6.678 10.473
257 HG12 VAL 34 2HG1 VAL 34 1.670 -7.291 9.790
258 HG13 VAL 34 3HG1 VAL 34 3.089 -8.335 9.875
259 HG21 VAL 34 3HG2 VAL 34 5.297 -7.123 8.472
260 HG22 VAL 34 1HG2 VAL 34 4.801 -5.765 7.462
261 HG23 VAL 34 2HG2 VAL 34 4.710 -5.637 9.218
262 H HIS 35 H HIS 35 0.902 -6.864 6.629
263 HA HIS 35 HA HIS 35 -1.065 -8.192 7.963
264 HB2 HIS 35 1HB HIS 35 -1.005 -6.903 5.258
265 HB3 HIS 35 2HB HIS 35 -2.464 -7.731 5.795
266 HD1 HIS 35 HD1 HIS 35 -2.396 -6.829 8.775
267 HD2 HIS 35 HD2 HIS 35 -1.853 -4.315 5.511
268 HE1 HIS 35 HE1 HIS 35 -2.996 -4.527 9.591
269 H THR 36 H THR 36 -0.194 -8.989 4.594
270 HA THR 36 HA THR 36 -1.608 -11.205 4.116
271 HB THR 36 HB THR 36 1.342 -10.901 3.527
272 HG1 THR 36 HG1 THR 36 -0.330 -9.348 2.682
273 HG21 THR 36 3HG2 THR 36 0.463 -13.257 3.374
274 HG22 THR 36 1HG2 THR 36 1.107 -12.600 1.870
275 HG23 THR 36 2HG2 THR 36 -0.636 -12.688 2.118
276 H GLY 37 H GLY 37 1.388 -11.172 6.032
277 HA2 GLY 37 1HA GLY 37 1.195 -13.986 6.633
278 HA3 GLY 37 2HA GLY 37 2.367 -12.854 7.291
279 H GLU 38 H GLU 38 2.245 -13.012 9.436
280 HA GLU 38 HA GLU 38 1.388 -13.204 11.546
281 HB2 GLU 38 1HB GLU 38 0.821 -10.810 10.711
282 HB3 GLU 38 2HB GLU 38 -0.834 -11.399 10.640
283 HG2 GLU 38 1HG GLU 38 -0.558 -12.079 13.057
284 HG3 GLU 38 2HG GLU 38 0.940 -11.150 13.047
285 H ARG 39 H ARG 39 0.574 -15.306 9.917
286 HA ARG 39 HA ARG 39 -1.966 -16.003 9.516
287 HB2 ARG 39 1HB ARG 39 0.158 -17.474 9.497
288 HB3 ARG 39 2HB ARG 39 -0.263 -17.855 11.162
289 HG2 ARG 39 1HG ARG 39 -2.347 -18.173 9.067
290 HG3 ARG 39 2HG ARG 39 -1.052 -19.368 9.167
291 HD2 ARG 39 1HD ARG 39 -1.644 -19.985 11.354
292 HD3 ARG 39 2HD ARG 39 -2.634 -18.544 11.581
293 HE ARG 39 HE ARG 39 -3.811 -19.902 9.511
294 HH11 ARG 39 1HH1 ARG 39 -2.988 -20.618 12.817
295 HH12 ARG 39 2HH1 ARG 39 -4.295 -21.733 13.039
296 HH21 ARG 39 1HH2 ARG 39 -5.536 -21.369 9.790
297 HH22 ARG 39 2HH2 ARG 39 -5.743 -22.160 11.316
298 H SER 40 H SER 40 -0.486 -16.480 12.731
299 HA SER 40 HA SER 40 -3.048 -15.766 13.957
300 HB2 SER 40 1HB SER 40 -2.770 -18.308 13.697
301 HB3 SER 40 2HB SER 40 -1.509 -18.171 14.922
302 HG SER 40 HG SER 40 -3.922 -18.541 15.483
303 H SER 41 H SER 41 -2.840 -14.520 15.718
304 HA SER 41 HA SER 41 -0.217 -14.388 17.041
305 HB2 SER 41 1HB SER 41 -0.865 -12.456 15.354
306 HB3 SER 41 2HB SER 41 -1.817 -11.881 16.723
307 HG SER 41 HG SER 41 0.805 -11.650 16.315
308 H GLY 42 H GLY 42 -0.263 -14.268 19.226
309 HA2 GLY 42 1HA GLY 42 -1.104 -14.316 21.361
310 HA3 GLY 42 2HA GLY 42 -2.364 -13.238 20.779
311 HA PRO 43 HA PRO 43 -3.895 -17.829 20.280
312 HB2 PRO 43 1HB PRO 43 -2.618 -19.622 21.868
313 HB3 PRO 43 2HB PRO 43 -2.111 -19.276 20.211
314 HG2 PRO 43 1HG PRO 43 -0.999 -18.235 22.788
315 HG3 PRO 43 2HG PRO 43 -0.138 -18.801 21.345
316 HD2 PRO 43 1HD PRO 43 -0.507 -16.173 21.884
317 HD3 PRO 43 2HD PRO 43 -0.442 -16.809 20.228
318 H SER 44 H SER 44 -2.490 -17.132 23.484
319 HA SER 44 HA SER 44 -4.994 -16.600 24.684
320 HB2 SER 44 1HB SER 44 -3.875 -19.372 24.980
321 HB3 SER 44 2HB SER 44 -4.798 -18.645 26.296
322 HG SER 44 HG SER 44 -5.740 -19.837 24.152
323 H SER 45 H SER 45 -4.769 -15.700 26.705
324 HA SER 45 HA SER 45 -2.051 -15.051 27.480
325 HB2 SER 45 1HB SER 45 -4.680 -14.124 28.662
326 HB3 SER 45 2HB SER 45 -3.090 -13.454 29.021
327 HG SER 45 HG SER 45 -3.848 -13.561 26.346
328 H GLY 46 H GLY 46 -1.309 -15.224 29.697
329 HA2 GLY 46 1HA GLY 46 -2.380 -16.414 31.854
330 HA3 GLY 46 2HA GLY 46 -2.029 -17.797 30.828
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -8.617 17.802 -25.143
2 HA2 GLY 1 1HA GLY 1 -8.895 16.281 -23.093
3 HA3 GLY 1 2HA GLY 1 -7.161 16.057 -23.269
4 H SER 2 H SER 2 -7.798 16.919 -20.905
5 HA SER 2 HA SER 2 -6.917 19.701 -20.910
6 HB2 SER 2 1HB SER 2 -9.485 19.532 -20.714
7 HB3 SER 2 2HB SER 2 -9.184 18.887 -19.101
8 HG SER 2 HG SER 2 -8.556 21.441 -20.129
9 H SER 3 H SER 3 -5.250 19.905 -19.582
10 HA SER 3 HA SER 3 -5.006 18.014 -17.334
11 HB2 SER 3 1HB SER 3 -2.896 19.221 -19.121
12 HB3 SER 3 2HB SER 3 -2.502 18.486 -17.567
13 HG SER 3 HG SER 3 -2.774 16.581 -18.415
14 H GLY 4 H GLY 4 -3.286 18.981 -15.692
15 HA2 GLY 4 1HA GLY 4 -2.515 21.159 -14.780
16 HA3 GLY 4 2HA GLY 4 -4.123 21.764 -15.149
17 H SER 5 H SER 5 -2.169 20.007 -12.917
18 HA SER 5 HA SER 5 -4.054 20.370 -10.815
19 HB2 SER 5 1HB SER 5 -5.082 18.408 -11.919
20 HB3 SER 5 2HB SER 5 -3.573 17.519 -11.719
21 HG SER 5 HG SER 5 -5.554 18.030 -9.907
22 H SER 6 H SER 6 -2.711 20.986 -9.264
23 HA SER 6 HA SER 6 0.026 20.294 -9.159
24 HB2 SER 6 1HB SER 6 -1.786 21.509 -7.062
25 HB3 SER 6 2HB SER 6 -0.034 21.380 -6.904
26 HG SER 6 HG SER 6 -1.536 22.920 -8.733
27 H GLY 7 H GLY 7 -2.708 19.316 -7.087
28 HA2 GLY 7 1HA GLY 7 -1.999 16.635 -6.879
29 HA3 GLY 7 2HA GLY 7 -1.200 17.468 -5.554
30 H SER 8 H SER 8 -4.217 16.362 -6.845
31 HA SER 8 HA SER 8 -5.833 17.602 -4.808
32 HB2 SER 8 1HB SER 8 -6.344 15.699 -7.066
33 HB3 SER 8 2HB SER 8 -7.554 15.877 -5.795
34 HG SER 8 HG SER 8 -7.187 18.261 -6.274
35 H GLY 9 H GLY 9 -4.760 16.832 -2.910
36 HA2 GLY 9 1HA GLY 9 -5.976 14.743 -1.598
37 HA3 GLY 9 2HA GLY 9 -4.551 14.037 -2.346
38 H LYS 10 H LYS 10 -5.151 14.319 0.479
39 HA LYS 10 HA LYS 10 -2.844 15.979 1.254
40 HB2 LYS 10 1HB LYS 10 -3.955 16.593 3.303
41 HB3 LYS 10 2HB LYS 10 -5.005 16.996 1.950
42 HG2 LYS 10 1HG LYS 10 -6.059 14.668 2.416
43 HG3 LYS 10 2HG LYS 10 -5.299 14.846 3.999
44 HD2 LYS 10 1HD LYS 10 -7.439 15.731 4.302
45 HD3 LYS 10 2HD LYS 10 -6.425 17.155 4.054
46 HE2 LYS 10 1HE LYS 10 -8.363 17.479 2.736
47 HE3 LYS 10 2HE LYS 10 -7.071 17.041 1.618
48 HZ1 LYS 10 3HZ LYS 10 -8.419 15.462 0.878
49 HZ2 LYS 10 1HZ LYS 10 -9.533 15.713 2.126
50 HZ3 LYS 10 2HZ LYS 10 -8.228 14.662 2.356
51 H LYS 11 H LYS 11 -2.683 13.259 0.577
52 HA LYS 11 HA LYS 11 -1.510 12.225 2.989
53 HB2 LYS 11 1HB LYS 11 -2.799 10.158 3.082
54 HB3 LYS 11 2HB LYS 11 -3.855 11.548 3.297
55 HG2 LYS 11 1HG LYS 11 -4.318 11.346 0.787
56 HG3 LYS 11 2HG LYS 11 -3.590 9.743 0.921
57 HD2 LYS 11 1HD LYS 11 -5.864 9.331 1.218
58 HD3 LYS 11 2HD LYS 11 -5.243 9.394 2.869
59 HE2 LYS 11 1HE LYS 11 -7.250 10.663 2.835
60 HE3 LYS 11 2HE LYS 11 -5.917 11.814 2.920
61 HZ1 LYS 11 3HZ LYS 11 -7.568 11.126 0.557
62 HZ2 LYS 11 1HZ LYS 11 -6.121 11.996 0.442
63 HZ3 LYS 11 2HZ LYS 11 -7.421 12.630 1.319
64 HA PRO 12 HA PRO 12 1.184 10.507 -0.043
65 HB2 PRO 12 1HB PRO 12 2.459 8.686 1.515
66 HB3 PRO 12 2HB PRO 12 2.760 10.425 1.626
67 HG2 PRO 12 1HG PRO 12 1.036 8.687 3.349
68 HG3 PRO 12 2HG PRO 12 2.155 9.976 3.826
69 HD2 PRO 12 1HD PRO 12 -0.522 10.352 3.680
70 HD3 PRO 12 2HD PRO 12 0.644 11.644 3.331
71 H TYR 13 H TYR 13 0.988 7.623 1.870
72 HA TYR 13 HA TYR 13 -0.340 6.262 -0.375
73 HB2 TYR 13 1HB TYR 13 1.627 5.299 1.695
74 HB3 TYR 13 2HB TYR 13 0.681 4.180 0.719
75 HD1 TYR 13 HD2 TYR 13 2.981 7.099 0.359
76 HD2 TYR 13 HD1 TYR 13 1.529 3.467 -1.317
77 HE1 TYR 13 HE2 TYR 13 4.648 7.270 -1.441
78 HE2 TYR 13 HE1 TYR 13 3.193 3.628 -3.121
79 HH TYR 13 HH TYR 13 4.659 5.038 -4.154
80 H GLU 14 H GLU 14 -1.229 3.989 0.662
81 HA GLU 14 HA GLU 14 -2.579 4.245 3.153
82 HB2 GLU 14 1HB GLU 14 -4.906 4.154 2.057
83 HB3 GLU 14 2HB GLU 14 -4.101 5.714 2.158
84 HG2 GLU 14 1HG GLU 14 -3.546 5.691 -0.130
85 HG3 GLU 14 2HG GLU 14 -3.951 3.982 -0.288
86 H CYS 15 H CYS 15 -2.698 2.240 3.891
87 HA CYS 15 HA CYS 15 -2.121 -0.039 2.408
88 HB2 CYS 15 1HB CYS 15 -2.272 0.419 5.018
89 HB3 CYS 15 2HB CYS 15 -3.870 -0.293 4.813
90 H LYS 16 H LYS 16 -3.836 -2.006 2.666
91 HA LYS 16 HA LYS 16 -6.163 -1.138 1.095
92 HB2 LYS 16 1HB LYS 16 -4.825 -3.841 1.302
93 HB3 LYS 16 2HB LYS 16 -6.275 -3.517 0.361
94 HG2 LYS 16 1HG LYS 16 -3.626 -2.160 -0.085
95 HG3 LYS 16 2HG LYS 16 -4.191 -3.573 -0.979
96 HD2 LYS 16 1HD LYS 16 -6.054 -2.337 -1.862
97 HD3 LYS 16 2HD LYS 16 -5.671 -0.948 -0.842
98 HE2 LYS 16 1HE LYS 16 -4.735 -0.278 -2.821
99 HE3 LYS 16 2HE LYS 16 -3.357 -1.091 -2.081
100 HZ1 LYS 16 3HZ LYS 16 -3.752 -1.694 -4.438
101 HZ2 LYS 16 1HZ LYS 16 -5.220 -2.401 -3.983
102 HZ3 LYS 16 2HZ LYS 16 -3.763 -3.022 -3.390
103 H GLU 17 H GLU 17 -5.180 -2.817 3.985
104 HA GLU 17 HA GLU 17 -7.970 -3.497 4.589
105 HB2 GLU 17 1HB GLU 17 -6.552 -5.381 4.866
106 HB3 GLU 17 2HB GLU 17 -5.349 -4.439 5.736
107 HG2 GLU 17 1HG GLU 17 -6.810 -4.233 7.635
108 HG3 GLU 17 2HG GLU 17 -8.115 -5.032 6.760
109 H CYS 18 H CYS 18 -5.241 -2.608 6.685
110 HA CYS 18 HA CYS 18 -6.902 -1.227 8.521
111 HB2 CYS 18 1HB CYS 18 -4.889 -0.681 9.694
112 HB3 CYS 18 2HB CYS 18 -4.693 -2.311 9.057
113 H ARG 19 H ARG 19 -5.625 -0.338 5.527
114 HA ARG 19 HA ARG 19 -5.540 1.615 4.363
115 HB2 ARG 19 1HB ARG 19 -7.406 2.642 6.508
116 HB3 ARG 19 2HB ARG 19 -7.181 3.321 4.902
117 HG2 ARG 19 1HG ARG 19 -8.190 0.530 5.370
118 HG3 ARG 19 2HG ARG 19 -9.251 1.935 5.236
119 HD2 ARG 19 1HD ARG 19 -7.889 2.343 3.026
120 HD3 ARG 19 2HD ARG 19 -7.565 0.616 3.162
121 HE ARG 19 HE ARG 19 -9.738 0.197 2.575
122 HH11 ARG 19 1HH1 ARG 19 -9.421 3.545 3.474
123 HH12 ARG 19 2HH1 ARG 19 -11.019 3.970 2.958
124 HH21 ARG 19 1HH2 ARG 19 -11.844 0.744 1.892
125 HH22 ARG 19 2HH2 ARG 19 -12.397 2.376 2.059
126 H LYS 20 H LYS 20 -3.493 1.167 6.257
127 HA LYS 20 HA LYS 20 -2.996 3.573 7.738
128 HB2 LYS 20 1HB LYS 20 -1.527 1.032 7.217
129 HB3 LYS 20 2HB LYS 20 -0.596 2.426 7.751
130 HG2 LYS 20 1HG LYS 20 -3.046 1.740 9.275
131 HG3 LYS 20 2HG LYS 20 -1.639 0.688 9.450
132 HD2 LYS 20 1HD LYS 20 -0.395 3.004 9.749
133 HD3 LYS 20 2HD LYS 20 -2.004 3.531 10.249
134 HE2 LYS 20 1HE LYS 20 -1.024 2.860 12.245
135 HE3 LYS 20 2HE LYS 20 -1.969 1.449 11.770
136 HZ1 LYS 20 3HZ LYS 20 0.075 0.570 12.360
137 HZ2 LYS 20 1HZ LYS 20 0.953 1.834 11.658
138 HZ3 LYS 20 2HZ LYS 20 0.199 0.682 10.676
139 H THR 21 H THR 21 -1.617 5.243 7.261
140 HA THR 21 HA THR 21 -0.932 5.538 4.437
141 HB THR 21 HB THR 21 -0.568 7.899 4.933
142 HG1 THR 21 HG1 THR 21 -1.233 7.209 7.621
143 HG21 THR 21 3HG2 THR 21 -2.941 6.746 4.725
144 HG22 THR 21 1HG2 THR 21 -2.784 8.467 5.074
145 HG23 THR 21 2HG2 THR 21 -3.106 7.328 6.381
146 H PHE 22 H PHE 22 1.155 6.529 3.862
147 HA PHE 22 HA PHE 22 3.339 6.371 5.713
148 HB2 PHE 22 1HB PHE 22 3.317 4.396 3.424
149 HB3 PHE 22 2HB PHE 22 4.581 4.596 4.632
150 HD1 PHE 22 HD1 PHE 22 1.064 3.556 4.153
151 HD2 PHE 22 HD2 PHE 22 4.488 3.461 6.680
152 HE1 PHE 22 HE1 PHE 22 -0.034 1.872 5.572
153 HE2 PHE 22 HE2 PHE 22 3.396 1.777 8.102
154 HZ PHE 22 HZ PHE 22 1.132 0.980 7.549
155 H ILE 23 H ILE 23 4.696 7.938 5.170
156 HA ILE 23 HA ILE 23 4.430 9.477 2.842
157 HB ILE 23 HB ILE 23 6.833 9.294 4.662
158 HG12 ILE 23 1HG1 ILE 23 4.731 11.429 4.789
159 HG13 ILE 23 2HG1 ILE 23 4.465 9.890 5.602
160 HG21 ILE 23 1HG2 ILE 23 7.805 10.769 3.322
161 HG22 ILE 23 2HG2 ILE 23 6.413 10.717 2.242
162 HG23 ILE 23 3HG2 ILE 23 6.458 11.880 3.567
163 HD11 ILE 23 3HD1 ILE 23 6.320 10.220 7.023
164 HD12 ILE 23 1HD1 ILE 23 6.898 11.586 6.069
165 HD13 ILE 23 2HD1 ILE 23 5.415 11.733 7.014
166 H GLN 24 H GLN 24 6.666 6.868 3.668
167 HA GLN 24 HA GLN 24 7.695 6.946 0.912
168 HB2 GLN 24 1HB GLN 24 8.908 5.995 3.493
169 HB3 GLN 24 2HB GLN 24 9.531 5.451 1.941
170 HG2 GLN 24 1HG GLN 24 10.088 7.687 1.306
171 HG3 GLN 24 2HG GLN 24 9.286 8.341 2.733
172 HE21 GLN 24 1HE2 GLN 24 10.304 8.261 4.703
173 HE22 GLN 24 2HE2 GLN 24 11.966 7.825 4.887
174 H ILE 25 H ILE 25 7.515 5.195 -0.391
175 HA ILE 25 HA ILE 25 5.528 3.284 0.112
176 HB ILE 25 HB ILE 25 6.146 3.867 -2.156
177 HG12 ILE 25 1HG1 ILE 25 6.716 1.395 -2.942
178 HG13 ILE 25 2HG1 ILE 25 6.383 1.032 -1.252
179 HG21 ILE 25 1HG2 ILE 25 8.612 2.292 -2.247
180 HG22 ILE 25 2HG2 ILE 25 8.231 3.849 -2.981
181 HG23 ILE 25 3HG2 ILE 25 8.727 3.769 -1.291
182 HD11 ILE 25 3HD1 ILE 25 4.539 2.139 -3.331
183 HD12 ILE 25 1HD1 ILE 25 4.354 0.695 -2.337
184 HD13 ILE 25 2HD1 ILE 25 4.191 2.293 -1.609
185 H GLY 26 H GLY 26 9.019 3.187 0.546
186 HA2 GLY 26 1HA GLY 26 9.448 0.476 0.882
187 HA3 GLY 26 2HA GLY 26 10.345 1.729 1.726
188 H HIS 27 H HIS 27 8.832 2.783 3.534
189 HA HIS 27 HA HIS 27 8.633 0.957 5.592
190 HB2 HIS 27 1HB HIS 27 8.642 3.467 5.795
191 HB3 HIS 27 2HB HIS 27 6.938 3.448 5.352
192 HD2 HIS 27 HD2 HIS 27 8.199 0.751 7.856
193 HE1 HIS 27 HE1 HIS 27 5.919 3.610 10.006
194 HE2 HIS 27 HE2 HIS 27 7.166 1.424 10.129
195 H LEU 28 H LEU 28 6.302 1.750 3.124
196 HA LEU 28 HA LEU 28 4.121 0.388 4.432
197 HB2 LEU 28 1HB LEU 28 3.629 2.271 3.016
198 HB3 LEU 28 2HB LEU 28 4.438 1.504 1.651
199 HG LEU 28 HG LEU 28 2.681 -0.225 1.613
200 HD11 LEU 28 1HD1 LEU 28 2.134 0.662 4.181
201 HD12 LEU 28 2HD1 LEU 28 1.189 -0.489 3.238
202 HD13 LEU 28 3HD1 LEU 28 0.763 1.222 3.223
203 HD21 LEU 28 3HD2 LEU 28 1.621 2.597 1.494
204 HD22 LEU 28 1HD2 LEU 28 0.921 1.183 0.705
205 HD23 LEU 28 2HD2 LEU 28 2.506 1.777 0.207
206 H ASN 29 H ASN 29 6.559 -0.346 2.040
207 HA ASN 29 HA ASN 29 5.412 -2.673 0.954
208 HB2 ASN 29 1HB ASN 29 8.148 -1.507 1.080
209 HB3 ASN 29 2HB ASN 29 8.015 -3.215 0.668
210 HD21 ASN 29 1HD2 ASN 29 8.500 -0.435 -0.721
211 HD22 ASN 29 2HD2 ASN 29 7.623 -0.618 -2.199
212 H GLN 30 H GLN 30 7.204 -2.088 3.894
213 HA GLN 30 HA GLN 30 7.475 -4.928 4.455
214 HB2 GLN 30 1HB GLN 30 8.338 -2.439 5.921
215 HB3 GLN 30 2HB GLN 30 8.494 -4.045 6.619
216 HG2 GLN 30 1HG GLN 30 9.638 -3.507 3.922
217 HG3 GLN 30 2HG GLN 30 10.490 -2.943 5.359
218 HE21 GLN 30 1HE2 GLN 30 11.176 -4.500 6.905
219 HE22 GLN 30 2HE2 GLN 30 11.462 -6.138 6.435
220 H HIS 31 H HIS 31 5.543 -2.181 5.447
221 HA HIS 31 HA HIS 31 4.352 -3.419 7.712
222 HB2 HIS 31 1HB HIS 31 4.154 -1.115 7.788
223 HB3 HIS 31 2HB HIS 31 3.780 -0.984 6.072
224 HD1 HIS 31 HD1 HIS 31 2.224 -0.752 9.280
225 HD2 HIS 31 HD2 HIS 31 1.044 -2.110 5.535
226 HE1 HIS 31 HE1 HIS 31 -0.290 -0.772 9.333
227 H LYS 32 H LYS 32 3.590 -3.314 4.295
228 HA LYS 32 HA LYS 32 0.979 -4.473 4.593
229 HB2 LYS 32 1HB LYS 32 0.910 -4.518 2.193
230 HB3 LYS 32 2HB LYS 32 1.632 -2.993 2.689
231 HG2 LYS 32 1HG LYS 32 3.860 -3.919 2.229
232 HG3 LYS 32 2HG LYS 32 3.107 -5.418 1.681
233 HD2 LYS 32 1HD LYS 32 2.464 -2.736 0.475
234 HD3 LYS 32 2HD LYS 32 3.769 -3.763 -0.123
235 HE2 LYS 32 1HE LYS 32 0.945 -4.751 0.166
236 HE3 LYS 32 2HE LYS 32 1.515 -3.947 -1.295
237 HZ1 LYS 32 3HZ LYS 32 2.243 -6.574 -0.216
238 HZ2 LYS 32 1HZ LYS 32 3.400 -5.723 -1.110
239 HZ3 LYS 32 2HZ LYS 32 1.913 -6.119 -1.811
240 H ARG 33 H ARG 33 4.212 -5.652 4.293
241 HA ARG 33 HA ARG 33 3.577 -8.255 3.325
242 HB2 ARG 33 1HB ARG 33 5.987 -7.006 4.600
243 HB3 ARG 33 2HB ARG 33 5.915 -8.748 4.375
244 HG2 ARG 33 1HG ARG 33 5.774 -8.526 2.018
245 HG3 ARG 33 2HG ARG 33 5.514 -6.784 2.136
246 HD2 ARG 33 1HD ARG 33 7.720 -6.352 2.624
247 HD3 ARG 33 2HD ARG 33 7.996 -7.960 3.294
248 HE ARG 33 HE ARG 33 8.223 -7.161 0.531
249 HH11 ARG 33 1HH1 ARG 33 7.831 -9.811 2.755
250 HH12 ARG 33 2HH1 ARG 33 8.448 -10.997 1.653
251 HH21 ARG 33 1HH2 ARG 33 9.037 -8.713 -0.928
252 HH22 ARG 33 2HH2 ARG 33 9.134 -10.372 -0.441
253 H VAL 34 H VAL 34 3.974 -6.838 6.528
254 HA VAL 34 HA VAL 34 3.897 -9.247 7.998
255 HB VAL 34 HB VAL 34 3.289 -7.827 9.935
256 HG11 VAL 34 1HG1 VAL 34 5.375 -6.828 10.127
257 HG12 VAL 34 2HG1 VAL 34 5.653 -8.085 8.919
258 HG13 VAL 34 3HG1 VAL 34 5.442 -6.407 8.416
259 HG21 VAL 34 3HG2 VAL 34 2.601 -5.672 9.780
260 HG22 VAL 34 1HG2 VAL 34 3.565 -5.353 8.338
261 HG23 VAL 34 2HG2 VAL 34 2.033 -6.217 8.202
262 H HIS 35 H HIS 35 1.445 -7.389 6.447
263 HA HIS 35 HA HIS 35 -0.789 -8.160 7.981
264 HB2 HIS 35 1HB HIS 35 -0.357 -7.040 5.259
265 HB3 HIS 35 2HB HIS 35 -1.919 -7.785 5.585
266 HD1 HIS 35 HD1 HIS 35 -3.353 -6.684 7.522
267 HD2 HIS 35 HD2 HIS 35 0.006 -4.539 6.346
268 HE1 HIS 35 HE1 HIS 35 -3.671 -4.370 8.454
269 H THR 36 H THR 36 0.520 -9.505 4.954
270 HA THR 36 HA THR 36 -1.175 -11.868 5.303
271 HB THR 36 HB THR 36 -1.334 -11.009 3.095
272 HG1 THR 36 HG1 THR 36 -0.822 -12.833 2.019
273 HG21 THR 36 3HG2 THR 36 1.574 -10.593 3.405
274 HG22 THR 36 1HG2 THR 36 0.373 -9.619 2.557
275 HG23 THR 36 2HG2 THR 36 1.028 -11.070 1.797
276 H GLY 37 H GLY 37 -0.387 -13.836 5.804
277 HA2 GLY 37 1HA GLY 37 1.474 -15.440 5.547
278 HA3 GLY 37 2HA GLY 37 2.552 -14.113 5.953
279 H GLU 38 H GLU 38 -0.496 -15.148 7.457
280 HA GLU 38 HA GLU 38 0.874 -16.171 9.781
281 HB2 GLU 38 1HB GLU 38 -0.198 -14.601 11.360
282 HB3 GLU 38 2HB GLU 38 0.948 -13.804 10.291
283 HG2 GLU 38 1HG GLU 38 -0.723 -12.745 9.078
284 HG3 GLU 38 2HG GLU 38 -1.967 -13.864 9.633
285 H ARG 39 H ARG 39 -0.310 -17.706 10.753
286 HA ARG 39 HA ARG 39 -2.740 -18.571 9.611
287 HB2 ARG 39 1HB ARG 39 -1.021 -19.980 10.843
288 HB3 ARG 39 2HB ARG 39 -1.708 -19.353 12.335
289 HG2 ARG 39 1HG ARG 39 -3.689 -20.499 12.064
290 HG3 ARG 39 2HG ARG 39 -3.484 -20.647 10.317
291 HD2 ARG 39 1HD ARG 39 -3.143 -22.800 11.341
292 HD3 ARG 39 2HD ARG 39 -1.607 -22.208 10.711
293 HE ARG 39 HE ARG 39 -2.087 -21.625 13.499
294 HH11 ARG 39 1HH1 ARG 39 -0.737 -23.850 11.187
295 HH12 ARG 39 2HH1 ARG 39 0.351 -24.575 12.324
296 HH21 ARG 39 1HH2 ARG 39 -0.659 -22.572 15.006
297 HH22 ARG 39 2HH2 ARG 39 0.393 -23.848 14.496
298 H SER 40 H SER 40 -4.835 -18.683 10.543
299 HA SER 40 HA SER 40 -5.360 -16.585 12.547
300 HB2 SER 40 1HB SER 40 -7.517 -16.186 11.432
301 HB3 SER 40 2HB SER 40 -6.171 -15.927 10.322
302 HG SER 40 HG SER 40 -6.566 -18.033 9.496
303 H SER 41 H SER 41 -6.476 -19.670 11.206
304 HA SER 41 HA SER 41 -8.038 -20.151 13.640
305 HB2 SER 41 1HB SER 41 -8.018 -21.482 10.930
306 HB3 SER 41 2HB SER 41 -8.883 -22.156 12.311
307 HG SER 41 HG SER 41 -9.344 -19.734 10.940
308 H GLY 42 H GLY 42 -6.409 -20.670 15.098
309 HA2 GLY 42 1HA GLY 42 -5.403 -23.385 14.850
310 HA3 GLY 42 2HA GLY 42 -4.173 -22.131 14.917
311 HA PRO 43 HA PRO 43 -4.336 -21.987 19.291
312 HB2 PRO 43 1HB PRO 43 -4.362 -19.335 19.874
313 HB3 PRO 43 2HB PRO 43 -2.938 -20.164 19.232
314 HG2 PRO 43 1HG PRO 43 -4.964 -18.492 17.796
315 HG3 PRO 43 2HG PRO 43 -3.199 -18.504 17.625
316 HD2 PRO 43 1HD PRO 43 -4.839 -19.768 15.881
317 HD3 PRO 43 2HD PRO 43 -3.216 -20.371 16.273
318 H SER 44 H SER 44 -6.336 -22.901 19.788
319 HA SER 44 HA SER 44 -8.835 -21.725 19.566
320 HB2 SER 44 1HB SER 44 -8.476 -24.105 20.120
321 HB3 SER 44 2HB SER 44 -7.907 -23.638 21.723
322 HG SER 44 HG SER 44 -10.392 -22.671 20.933
323 H SER 45 H SER 45 -6.759 -21.820 22.465
324 HA SER 45 HA SER 45 -8.335 -20.254 24.122
325 HB2 SER 45 1HB SER 45 -6.238 -19.764 25.364
326 HB3 SER 45 2HB SER 45 -6.404 -21.474 24.966
327 HG SER 45 HG SER 45 -4.494 -21.232 24.126
328 H GLY 46 H GLY 46 -8.193 -18.035 24.750
329 HA2 GLY 46 1HA GLY 46 -6.656 -16.093 23.427
330 HA3 GLY 46 2HA GLY 46 -8.198 -16.230 22.596
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -9.754 4.459 -13.046
2 HA2 GLY 1 1HA GLY 1 -10.039 5.300 -10.321
3 HA3 GLY 1 2HA GLY 1 -8.825 6.238 -11.178
4 H SER 2 H SER 2 -11.460 7.007 -10.056
5 HA SER 2 HA SER 2 -12.675 8.033 -12.538
6 HB2 SER 2 1HB SER 2 -14.094 7.460 -9.925
7 HB3 SER 2 2HB SER 2 -14.840 8.033 -11.417
8 HG SER 2 HG SER 2 -14.770 6.074 -12.211
9 H SER 3 H SER 3 -14.007 10.074 -12.082
10 HA SER 3 HA SER 3 -12.576 11.792 -10.165
11 HB2 SER 3 1HB SER 3 -12.845 13.651 -11.837
12 HB3 SER 3 2HB SER 3 -11.749 12.368 -12.351
13 HG SER 3 HG SER 3 -14.407 12.846 -13.192
14 H GLY 4 H GLY 4 -14.340 11.388 -8.710
15 HA2 GLY 4 1HA GLY 4 -16.826 12.790 -9.476
16 HA3 GLY 4 2HA GLY 4 -16.770 11.442 -8.350
17 H SER 5 H SER 5 -16.261 11.797 -6.224
18 HA SER 5 HA SER 5 -16.260 14.603 -5.400
19 HB2 SER 5 1HB SER 5 -17.912 12.893 -4.468
20 HB3 SER 5 2HB SER 5 -16.546 12.202 -3.594
21 HG SER 5 HG SER 5 -17.290 13.648 -2.187
22 H SER 6 H SER 6 -14.561 15.571 -4.479
23 HA SER 6 HA SER 6 -12.465 14.053 -3.193
24 HB2 SER 6 1HB SER 6 -12.102 15.330 -5.875
25 HB3 SER 6 2HB SER 6 -10.759 15.355 -4.733
26 HG SER 6 HG SER 6 -12.081 12.931 -5.132
27 H GLY 7 H GLY 7 -12.106 15.156 -1.391
28 HA2 GLY 7 1HA GLY 7 -12.396 18.087 -1.447
29 HA3 GLY 7 2HA GLY 7 -12.545 17.080 -0.015
30 H SER 8 H SER 8 -11.044 18.842 0.755
31 HA SER 8 HA SER 8 -8.367 18.933 -0.168
32 HB2 SER 8 1HB SER 8 -9.178 20.818 1.049
33 HB3 SER 8 2HB SER 8 -9.663 19.814 2.415
34 HG SER 8 HG SER 8 -7.398 19.344 2.696
35 H GLY 9 H GLY 9 -6.737 17.572 0.163
36 HA2 GLY 9 1HA GLY 9 -6.226 16.236 2.595
37 HA3 GLY 9 2HA GLY 9 -7.016 15.125 1.486
38 H LYS 10 H LYS 10 -4.106 15.964 2.615
39 HA LYS 10 HA LYS 10 -2.755 15.303 0.080
40 HB2 LYS 10 1HB LYS 10 -2.313 17.622 0.910
41 HB3 LYS 10 2HB LYS 10 -1.604 16.922 2.359
42 HG2 LYS 10 1HG LYS 10 0.201 16.008 1.162
43 HG3 LYS 10 2HG LYS 10 -0.596 16.267 -0.392
44 HD2 LYS 10 1HD LYS 10 -0.456 18.718 0.015
45 HD3 LYS 10 2HD LYS 10 0.476 18.381 1.476
46 HE2 LYS 10 1HE LYS 10 1.294 17.387 -1.243
47 HE3 LYS 10 2HE LYS 10 1.797 18.955 -0.615
48 HZ1 LYS 10 3HZ LYS 10 2.721 17.735 1.333
49 HZ2 LYS 10 1HZ LYS 10 3.502 17.402 -0.131
50 HZ3 LYS 10 2HZ LYS 10 2.410 16.285 0.519
51 H LYS 11 H LYS 11 -2.955 13.065 0.604
52 HA LYS 11 HA LYS 11 -1.138 12.193 2.755
53 HB2 LYS 11 1HB LYS 11 -2.466 10.122 2.880
54 HB3 LYS 11 2HB LYS 11 -3.433 11.547 3.238
55 HG2 LYS 11 1HG LYS 11 -4.207 11.481 0.842
56 HG3 LYS 11 2HG LYS 11 -3.432 9.899 0.725
57 HD2 LYS 11 1HD LYS 11 -5.372 10.460 2.932
58 HD3 LYS 11 2HD LYS 11 -5.961 10.057 1.317
59 HE2 LYS 11 1HE LYS 11 -4.812 7.956 1.356
60 HE3 LYS 11 2HE LYS 11 -3.988 8.377 2.856
61 HZ1 LYS 11 3HZ LYS 11 -5.750 7.789 4.074
62 HZ2 LYS 11 1HZ LYS 11 -6.263 6.949 2.698
63 HZ3 LYS 11 2HZ LYS 11 -6.864 8.498 3.016
64 HA PRO 12 HA PRO 12 1.375 10.335 -0.345
65 HB2 PRO 12 1HB PRO 12 2.615 8.455 1.170
66 HB3 PRO 12 2HB PRO 12 2.997 10.178 1.275
67 HG2 PRO 12 1HG PRO 12 1.250 8.513 3.047
68 HG3 PRO 12 2HG PRO 12 2.440 9.750 3.492
69 HD2 PRO 12 1HD PRO 12 -0.221 10.245 3.428
70 HD3 PRO 12 2HD PRO 12 0.990 11.485 3.046
71 H TYR 13 H TYR 13 1.107 7.457 1.570
72 HA TYR 13 HA TYR 13 -0.374 6.172 -0.625
73 HB2 TYR 13 1HB TYR 13 1.510 4.950 1.402
74 HB3 TYR 13 2HB TYR 13 0.657 4.062 0.145
75 HD1 TYR 13 HD1 TYR 13 1.293 4.324 -2.212
76 HD2 TYR 13 HD2 TYR 13 3.446 6.286 0.890
77 HE1 TYR 13 HE1 TYR 13 3.145 4.749 -3.774
78 HE2 TYR 13 HE2 TYR 13 5.302 6.718 -0.664
79 HH TYR 13 HH TYR 13 5.115 5.734 -4.070
80 H GLU 14 H GLU 14 -1.373 3.972 0.352
81 HA GLU 14 HA GLU 14 -2.556 4.248 2.947
82 HB2 GLU 14 1HB GLU 14 -4.884 4.416 2.202
83 HB3 GLU 14 2HB GLU 14 -3.957 5.828 1.716
84 HG2 GLU 14 1HG GLU 14 -4.454 3.508 -0.122
85 HG3 GLU 14 2HG GLU 14 -5.557 4.877 0.011
86 H CYS 15 H CYS 15 -3.236 2.317 3.718
87 HA CYS 15 HA CYS 15 -2.638 -0.025 2.192
88 HB2 CYS 15 1HB CYS 15 -2.541 0.436 4.800
89 HB3 CYS 15 2HB CYS 15 -4.191 -0.177 4.738
90 H LYS 16 H LYS 16 -4.400 -1.906 2.544
91 HA LYS 16 HA LYS 16 -6.865 -0.887 1.297
92 HB2 LYS 16 1HB LYS 16 -5.544 -2.349 -0.159
93 HB3 LYS 16 2HB LYS 16 -5.576 -3.613 1.063
94 HG2 LYS 16 1HG LYS 16 -7.858 -4.022 0.743
95 HG3 LYS 16 2HG LYS 16 -8.097 -2.501 -0.120
96 HD2 LYS 16 1HD LYS 16 -8.086 -4.039 -1.847
97 HD3 LYS 16 2HD LYS 16 -6.403 -3.507 -1.819
98 HE2 LYS 16 1HE LYS 16 -6.355 -5.867 -1.991
99 HE3 LYS 16 2HE LYS 16 -5.930 -5.483 -0.324
100 HZ1 LYS 16 3HZ LYS 16 -8.390 -5.833 0.151
101 HZ2 LYS 16 1HZ LYS 16 -7.460 -7.211 -0.161
102 HZ3 LYS 16 2HZ LYS 16 -8.467 -6.581 -1.364
103 H GLU 17 H GLU 17 -5.547 -2.849 3.855
104 HA GLU 17 HA GLU 17 -8.229 -3.667 4.701
105 HB2 GLU 17 1HB GLU 17 -6.736 -5.500 4.714
106 HB3 GLU 17 2HB GLU 17 -5.462 -4.560 5.478
107 HG2 GLU 17 1HG GLU 17 -6.645 -4.532 7.559
108 HG3 GLU 17 2HG GLU 17 -8.052 -5.293 6.819
109 H CYS 18 H CYS 18 -5.313 -2.685 6.495
110 HA CYS 18 HA CYS 18 -6.830 -1.568 8.626
111 HB2 CYS 18 1HB CYS 18 -4.705 -0.900 9.560
112 HB3 CYS 18 2HB CYS 18 -4.542 -2.519 8.887
113 H ARG 19 H ARG 19 -5.908 -0.394 5.582
114 HA ARG 19 HA ARG 19 -6.009 1.643 4.571
115 HB2 ARG 19 1HB ARG 19 -7.893 2.355 6.824
116 HB3 ARG 19 2HB ARG 19 -7.813 3.100 5.233
117 HG2 ARG 19 1HG ARG 19 -8.391 0.182 5.483
118 HG3 ARG 19 2HG ARG 19 -9.668 1.369 5.758
119 HD2 ARG 19 1HD ARG 19 -7.955 1.360 3.285
120 HD3 ARG 19 2HD ARG 19 -9.461 0.451 3.404
121 HE ARG 19 HE ARG 19 -9.714 3.240 4.073
122 HH11 ARG 19 1HH1 ARG 19 -9.774 0.876 1.517
123 HH12 ARG 19 2HH1 ARG 19 -10.748 1.848 0.464
124 HH21 ARG 19 1HH2 ARG 19 -10.997 4.528 2.696
125 HH22 ARG 19 2HH2 ARG 19 -11.442 3.925 1.135
126 H LYS 20 H LYS 20 -3.744 1.483 5.910
127 HA LYS 20 HA LYS 20 -3.515 3.965 7.476
128 HB2 LYS 20 1HB LYS 20 -2.025 1.374 7.522
129 HB3 LYS 20 2HB LYS 20 -1.188 2.841 8.010
130 HG2 LYS 20 1HG LYS 20 -3.266 3.186 9.542
131 HG3 LYS 20 2HG LYS 20 -3.486 1.451 9.305
132 HD2 LYS 20 1HD LYS 20 -2.162 1.439 11.175
133 HD3 LYS 20 2HD LYS 20 -0.923 1.384 9.918
134 HE2 LYS 20 1HE LYS 20 -1.911 3.938 11.173
135 HE3 LYS 20 2HE LYS 20 -0.516 3.039 11.769
136 HZ1 LYS 20 3HZ LYS 20 0.401 4.609 10.358
137 HZ2 LYS 20 1HZ LYS 20 -0.831 4.468 9.208
138 HZ3 LYS 20 2HZ LYS 20 0.318 3.238 9.371
139 H THR 21 H THR 21 -1.974 5.494 6.954
140 HA THR 21 HA THR 21 -1.012 5.378 4.202
141 HB THR 21 HB THR 21 -0.554 7.753 4.416
142 HG1 THR 21 HG1 THR 21 -0.333 8.659 6.318
143 HG21 THR 21 3HG2 THR 21 -2.953 6.784 4.124
144 HG22 THR 21 1HG2 THR 21 -2.748 8.506 4.440
145 HG23 THR 21 2HG2 THR 21 -3.215 7.419 5.748
146 H PHE 22 H PHE 22 1.188 6.563 3.890
147 HA PHE 22 HA PHE 22 3.136 6.120 5.964
148 HB2 PHE 22 1HB PHE 22 3.323 4.488 3.424
149 HB3 PHE 22 2HB PHE 22 4.493 4.509 4.739
150 HD1 PHE 22 HD1 PHE 22 1.032 3.568 3.845
151 HD2 PHE 22 HD2 PHE 22 4.228 3.129 6.621
152 HE1 PHE 22 HE1 PHE 22 -0.175 1.724 4.938
153 HE2 PHE 22 HE2 PHE 22 3.027 1.284 7.718
154 HZ PHE 22 HZ PHE 22 0.823 0.578 6.876
155 H ILE 23 H ILE 23 4.596 7.684 5.815
156 HA ILE 23 HA ILE 23 4.610 9.661 3.891
157 HB ILE 23 HB ILE 23 7.005 8.804 5.517
158 HG12 ILE 23 1HG1 ILE 23 6.015 10.857 6.910
159 HG13 ILE 23 2HG1 ILE 23 4.508 10.268 6.216
160 HG21 ILE 23 1HG2 ILE 23 7.152 11.490 5.334
161 HG22 ILE 23 2HG2 ILE 23 7.953 10.383 4.220
162 HG23 ILE 23 3HG2 ILE 23 6.405 11.106 3.784
163 HD11 ILE 23 3HD1 ILE 23 4.459 8.481 7.551
164 HD12 ILE 23 1HD1 ILE 23 6.188 8.180 7.382
165 HD13 ILE 23 2HD1 ILE 23 5.611 9.387 8.531
166 H GLN 24 H GLN 24 6.888 6.932 4.159
167 HA GLN 24 HA GLN 24 7.804 7.472 1.432
168 HB2 GLN 24 1HB GLN 24 8.895 5.626 3.563
169 HB3 GLN 24 2HB GLN 24 9.588 5.822 1.959
170 HG2 GLN 24 1HG GLN 24 9.210 8.211 3.700
171 HG3 GLN 24 2HG GLN 24 10.567 7.123 3.986
172 HE21 GLN 24 1HE2 GLN 24 11.894 8.961 3.466
173 HE22 GLN 24 2HE2 GLN 24 12.209 9.352 1.813
174 H ILE 25 H ILE 25 8.369 5.370 0.182
175 HA ILE 25 HA ILE 25 5.892 3.883 -0.064
176 HB ILE 25 HB ILE 25 6.978 4.705 -2.093
177 HG12 ILE 25 1HG1 ILE 25 7.111 2.478 -3.314
178 HG13 ILE 25 2HG1 ILE 25 6.871 1.707 -1.750
179 HG21 ILE 25 1HG2 ILE 25 9.324 4.125 -0.916
180 HG22 ILE 25 2HG2 ILE 25 9.161 2.727 -1.978
181 HG23 ILE 25 3HG2 ILE 25 9.137 4.355 -2.654
182 HD11 ILE 25 3HD1 ILE 25 4.756 3.100 -1.569
183 HD12 ILE 25 1HD1 ILE 25 4.973 3.445 -3.284
184 HD13 ILE 25 2HD1 ILE 25 4.756 1.781 -2.740
185 H GLY 26 H GLY 26 9.256 3.293 0.813
186 HA2 GLY 26 1HA GLY 26 9.224 0.499 0.857
187 HA3 GLY 26 2HA GLY 26 10.265 1.512 1.848
188 H HIS 27 H HIS 27 8.748 2.709 3.618
189 HA HIS 27 HA HIS 27 8.239 0.927 5.606
190 HB2 HIS 27 1HB HIS 27 7.224 3.663 5.020
191 HB3 HIS 27 2HB HIS 27 6.423 2.758 6.301
192 HD2 HIS 27 HD2 HIS 27 10.286 2.422 5.922
193 HE1 HIS 27 HE1 HIS 27 9.469 4.734 9.384
194 HE2 HIS 27 HE2 HIS 27 11.256 3.632 7.993
195 H LEU 28 H LEU 28 5.969 1.996 3.115
196 HA LEU 28 HA LEU 28 3.741 0.561 4.160
197 HB2 LEU 28 1HB LEU 28 3.341 2.440 2.747
198 HB3 LEU 28 2HB LEU 28 4.316 1.746 1.454
199 HG LEU 28 HG LEU 28 2.621 0.001 1.124
200 HD11 LEU 28 1HD1 LEU 28 0.738 1.480 2.900
201 HD12 LEU 28 2HD1 LEU 28 1.840 0.295 3.601
202 HD13 LEU 28 3HD1 LEU 28 0.693 -0.197 2.354
203 HD21 LEU 28 3HD2 LEU 28 1.659 1.355 -0.349
204 HD22 LEU 28 1HD2 LEU 28 2.444 2.714 0.456
205 HD23 LEU 28 2HD2 LEU 28 0.816 2.229 0.931
206 H ASN 29 H ASN 29 5.986 -0.054 1.468
207 HA ASN 29 HA ASN 29 4.978 -2.386 0.464
208 HB2 ASN 29 1HB ASN 29 7.780 -1.376 0.792
209 HB3 ASN 29 2HB ASN 29 7.515 -3.000 0.164
210 HD21 ASN 29 1HD2 ASN 29 8.309 -0.147 -0.864
211 HD22 ASN 29 2HD2 ASN 29 7.465 -0.057 -2.369
212 H GLN 30 H GLN 30 7.404 -2.197 3.075
213 HA GLN 30 HA GLN 30 7.318 -4.953 3.683
214 HB2 GLN 30 1HB GLN 30 9.233 -3.665 4.338
215 HB3 GLN 30 2HB GLN 30 8.240 -2.571 5.292
216 HG2 GLN 30 1HG GLN 30 7.633 -4.642 6.673
217 HG3 GLN 30 2HG GLN 30 9.015 -5.401 5.884
218 HE21 GLN 30 1HE2 GLN 30 11.070 -4.123 6.005
219 HE22 GLN 30 2HE2 GLN 30 11.421 -3.338 7.503
220 H HIS 31 H HIS 31 5.568 -2.167 4.940
221 HA HIS 31 HA HIS 31 4.394 -3.289 7.187
222 HB2 HIS 31 1HB HIS 31 3.981 -1.027 7.021
223 HB3 HIS 31 2HB HIS 31 3.617 -1.110 5.300
224 HD1 HIS 31 HD1 HIS 31 2.048 -1.727 8.666
225 HD2 HIS 31 HD2 HIS 31 0.950 -1.441 4.669
226 HE1 HIS 31 HE1 HIS 31 -0.467 -1.676 8.662
227 H LYS 32 H LYS 32 3.860 -3.997 3.877
228 HA LYS 32 HA LYS 32 1.242 -5.173 4.301
229 HB2 LYS 32 1HB LYS 32 3.053 -4.961 1.900
230 HB3 LYS 32 2HB LYS 32 1.558 -5.886 1.873
231 HG2 LYS 32 1HG LYS 32 0.284 -3.882 2.384
232 HG3 LYS 32 2HG LYS 32 1.776 -2.943 2.476
233 HD2 LYS 32 1HD LYS 32 0.978 -4.467 0.008
234 HD3 LYS 32 2HD LYS 32 0.461 -2.804 0.301
235 HE2 LYS 32 1HE LYS 32 2.784 -2.091 0.436
236 HE3 LYS 32 2HE LYS 32 3.324 -3.754 0.208
237 HZ1 LYS 32 3HZ LYS 32 3.306 -2.237 -1.813
238 HZ2 LYS 32 1HZ LYS 32 1.622 -2.395 -1.790
239 HZ3 LYS 32 2HZ LYS 32 2.597 -3.762 -1.992
240 H ARG 33 H ARG 33 4.538 -6.137 4.370
241 HA ARG 33 HA ARG 33 4.119 -8.914 3.828
242 HB2 ARG 33 1HB ARG 33 6.434 -7.622 5.278
243 HB3 ARG 33 2HB ARG 33 6.417 -9.211 4.524
244 HG2 ARG 33 1HG ARG 33 6.089 -6.611 3.042
245 HG3 ARG 33 2HG ARG 33 7.605 -7.501 3.198
246 HD2 ARG 33 1HD ARG 33 5.178 -8.884 2.141
247 HD3 ARG 33 2HD ARG 33 6.100 -7.814 1.085
248 HE ARG 33 HE ARG 33 7.852 -9.331 1.104
249 HH11 ARG 33 1HH1 ARG 33 5.362 -10.298 3.336
250 HH12 ARG 33 2HH1 ARG 33 6.002 -11.892 3.563
251 HH21 ARG 33 1HH2 ARG 33 8.705 -11.426 1.394
252 HH22 ARG 33 2HH2 ARG 33 7.905 -12.532 2.458
253 H VAL 34 H VAL 34 4.647 -7.023 6.793
254 HA VAL 34 HA VAL 34 4.567 -9.115 8.628
255 HB VAL 34 HB VAL 34 4.026 -7.478 10.320
256 HG11 VAL 34 1HG1 VAL 34 6.243 -7.184 9.931
257 HG12 VAL 34 2HG1 VAL 34 6.009 -6.833 8.217
258 HG13 VAL 34 3HG1 VAL 34 5.684 -5.589 9.425
259 HG21 VAL 34 3HG2 VAL 34 3.062 -5.890 7.983
260 HG22 VAL 34 1HG2 VAL 34 2.293 -6.173 9.544
261 HG23 VAL 34 2HG2 VAL 34 3.651 -5.055 9.420
262 H HIS 35 H HIS 35 1.934 -7.250 7.188
263 HA HIS 35 HA HIS 35 -0.232 -7.910 8.662
264 HB2 HIS 35 1HB HIS 35 0.182 -7.555 5.737
265 HB3 HIS 35 2HB HIS 35 -1.358 -8.232 6.258
266 HD1 HIS 35 HD1 HIS 35 -1.501 -6.442 8.903
267 HD2 HIS 35 HD2 HIS 35 -0.876 -5.094 5.023
268 HE1 HIS 35 HE1 HIS 35 -2.234 -4.036 8.901
269 H THR 36 H THR 36 1.462 -10.037 6.418
270 HA THR 36 HA THR 36 -0.265 -12.164 6.240
271 HB THR 36 HB THR 36 1.702 -13.618 5.947
272 HG1 THR 36 HG1 THR 36 2.885 -12.145 7.621
273 HG21 THR 36 3HG2 THR 36 0.957 -11.469 4.377
274 HG22 THR 36 1HG2 THR 36 2.013 -12.793 3.888
275 HG23 THR 36 2HG2 THR 36 2.707 -11.295 4.509
276 H GLY 37 H GLY 37 -1.381 -13.019 7.884
277 HA2 GLY 37 1HA GLY 37 -1.816 -14.163 9.827
278 HA3 GLY 37 2HA GLY 37 -0.111 -14.588 9.856
279 H GLU 38 H GLU 38 -1.327 -14.194 12.222
280 HA GLU 38 HA GLU 38 -0.019 -11.760 13.169
281 HB2 GLU 38 1HB GLU 38 -2.928 -12.424 13.529
282 HB3 GLU 38 2HB GLU 38 -2.077 -11.428 14.701
283 HG2 GLU 38 1HG GLU 38 -1.692 -9.723 13.144
284 HG3 GLU 38 2HG GLU 38 -2.078 -10.768 11.778
285 H ARG 39 H ARG 39 1.161 -12.151 14.924
286 HA ARG 39 HA ARG 39 2.222 -13.446 16.502
287 HB2 ARG 39 1HB ARG 39 -0.648 -13.256 17.381
288 HB3 ARG 39 2HB ARG 39 0.555 -14.065 18.376
289 HG2 ARG 39 1HG ARG 39 1.737 -12.100 18.767
290 HG3 ARG 39 2HG ARG 39 0.994 -11.272 17.396
291 HD2 ARG 39 1HD ARG 39 -1.019 -10.951 18.526
292 HD3 ARG 39 2HD ARG 39 -0.663 -12.209 19.709
293 HE ARG 39 HE ARG 39 1.191 -10.043 19.846
294 HH11 ARG 39 1HH1 ARG 39 -1.993 -11.082 20.796
295 HH12 ARG 39 2HH1 ARG 39 -2.060 -10.044 22.181
296 HH21 ARG 39 1HH2 ARG 39 1.114 -8.672 21.667
297 HH22 ARG 39 2HH2 ARG 39 -0.293 -8.673 22.675
298 H SER 40 H SER 40 1.820 -15.007 14.292
299 HA SER 40 HA SER 40 0.456 -17.442 14.921
300 HB2 SER 40 1HB SER 40 0.661 -16.844 12.604
301 HB3 SER 40 2HB SER 40 2.414 -16.712 12.735
302 HG SER 40 HG SER 40 0.914 -19.098 13.085
303 H SER 41 H SER 41 1.230 -18.424 16.727
304 HA SER 41 HA SER 41 2.606 -19.644 18.066
305 HB2 SER 41 1HB SER 41 3.762 -20.124 15.341
306 HB3 SER 41 2HB SER 41 4.592 -20.757 16.762
307 HG SER 41 HG SER 41 1.994 -21.352 15.826
308 H GLY 42 H GLY 42 3.021 -16.935 18.202
309 HA2 GLY 42 1HA GLY 42 4.524 -15.446 19.099
310 HA3 GLY 42 2HA GLY 42 5.616 -16.803 19.334
311 HA PRO 43 HA PRO 43 7.367 -13.905 16.119
312 HB2 PRO 43 1HB PRO 43 9.776 -13.594 17.332
313 HB3 PRO 43 2HB PRO 43 8.381 -12.567 17.687
314 HG2 PRO 43 1HG PRO 43 9.437 -14.922 19.205
315 HG3 PRO 43 2HG PRO 43 8.852 -13.365 19.820
316 HD2 PRO 43 1HD PRO 43 7.332 -15.606 19.848
317 HD3 PRO 43 2HD PRO 43 6.639 -13.984 19.645
318 H SER 44 H SER 44 9.011 -16.488 17.938
319 HA SER 44 HA SER 44 11.017 -17.211 16.272
320 HB2 SER 44 1HB SER 44 10.820 -19.480 17.114
321 HB3 SER 44 2HB SER 44 10.453 -18.348 18.416
322 HG SER 44 HG SER 44 8.438 -19.497 16.798
323 H SER 45 H SER 45 11.270 -18.751 14.569
324 HA SER 45 HA SER 45 10.803 -19.535 12.483
325 HB2 SER 45 1HB SER 45 9.349 -21.013 14.058
326 HB3 SER 45 2HB SER 45 7.994 -20.107 13.386
327 HG SER 45 HG SER 45 8.259 -21.866 12.089
328 H GLY 46 H GLY 46 10.533 -16.783 12.742
329 HA2 GLY 46 1HA GLY 46 9.882 -15.141 11.213
330 HA3 GLY 46 2HA GLY 46 8.694 -16.256 10.556
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -24.883 20.669 -4.930
2 HA2 GLY 1 1HA GLY 1 -22.189 20.450 -4.275
3 HA3 GLY 1 2HA GLY 1 -22.877 21.733 -5.260
4 H SER 2 H SER 2 -21.701 20.832 -2.136
5 HA SER 2 HA SER 2 -21.541 23.641 -1.398
6 HB2 SER 2 1HB SER 2 -23.687 22.970 -0.441
7 HB3 SER 2 2HB SER 2 -22.924 21.592 0.352
8 HG SER 2 HG SER 2 -21.511 23.518 1.196
9 H SER 3 H SER 3 -19.803 24.113 -0.127
10 HA SER 3 HA SER 3 -18.116 21.834 0.680
11 HB2 SER 3 1HB SER 3 -17.377 23.500 -1.226
12 HB3 SER 3 2HB SER 3 -16.942 24.533 0.135
13 HG SER 3 HG SER 3 -16.112 21.886 0.267
14 H GLY 4 H GLY 4 -17.347 21.771 2.727
15 HA2 GLY 4 1HA GLY 4 -18.357 23.818 4.562
16 HA3 GLY 4 2HA GLY 4 -17.770 22.223 5.011
17 H SER 5 H SER 5 -15.356 21.899 4.449
18 HA SER 5 HA SER 5 -13.898 24.341 5.223
19 HB2 SER 5 1HB SER 5 -13.944 22.764 7.080
20 HB3 SER 5 2HB SER 5 -13.339 21.478 6.035
21 HG SER 5 HG SER 5 -11.600 23.345 5.748
22 H SER 6 H SER 6 -12.347 24.984 3.883
23 HA SER 6 HA SER 6 -11.826 23.607 1.458
24 HB2 SER 6 1HB SER 6 -11.661 25.970 1.379
25 HB3 SER 6 2HB SER 6 -10.577 26.020 2.768
26 HG SER 6 HG SER 6 -9.459 26.302 0.789
27 H GLY 7 H GLY 7 -9.864 22.691 0.713
28 HA2 GLY 7 1HA GLY 7 -7.577 22.009 1.123
29 HA3 GLY 7 2HA GLY 7 -7.970 21.908 2.833
30 H SER 8 H SER 8 -6.730 19.850 1.342
31 HA SER 8 HA SER 8 -8.795 17.769 1.572
32 HB2 SER 8 1HB SER 8 -8.504 18.046 -0.788
33 HB3 SER 8 2HB SER 8 -6.748 18.082 -0.630
34 HG SER 8 HG SER 8 -7.616 16.039 -1.347
35 H GLY 9 H GLY 9 -5.382 18.629 1.700
36 HA2 GLY 9 1HA GLY 9 -3.784 17.861 3.201
37 HA3 GLY 9 2HA GLY 9 -4.960 16.710 3.819
38 H LYS 10 H LYS 10 -3.053 17.341 0.876
39 HA LYS 10 HA LYS 10 -3.113 15.054 -0.478
40 HB2 LYS 10 1HB LYS 10 -0.734 15.336 -1.046
41 HB3 LYS 10 2HB LYS 10 -1.600 16.866 -1.073
42 HG2 LYS 10 1HG LYS 10 -0.726 17.293 1.238
43 HG3 LYS 10 2HG LYS 10 0.293 15.866 1.038
44 HD2 LYS 10 1HD LYS 10 1.288 16.904 -0.974
45 HD3 LYS 10 2HD LYS 10 0.319 18.350 -0.677
46 HE2 LYS 10 1HE LYS 10 2.039 17.308 1.519
47 HE3 LYS 10 2HE LYS 10 2.807 18.158 0.179
48 HZ1 LYS 10 3HZ LYS 10 2.250 20.040 1.176
49 HZ2 LYS 10 1HZ LYS 10 1.367 19.224 2.366
50 HZ3 LYS 10 2HZ LYS 10 0.618 19.679 0.919
51 H LYS 11 H LYS 11 -2.699 12.945 -0.222
52 HA LYS 11 HA LYS 11 -1.221 12.108 2.186
53 HB2 LYS 11 1HB LYS 11 -3.636 10.780 0.940
54 HB3 LYS 11 2HB LYS 11 -2.704 10.125 2.281
55 HG2 LYS 11 1HG LYS 11 -4.353 12.641 2.267
56 HG3 LYS 11 2HG LYS 11 -4.674 11.149 3.154
57 HD2 LYS 11 1HD LYS 11 -2.424 11.550 4.295
58 HD3 LYS 11 2HD LYS 11 -2.508 13.181 3.624
59 HE2 LYS 11 1HE LYS 11 -3.362 13.022 5.946
60 HE3 LYS 11 2HE LYS 11 -4.560 13.615 4.796
61 HZ1 LYS 11 3HZ LYS 11 -4.603 10.761 5.115
62 HZ2 LYS 11 1HZ LYS 11 -5.875 11.874 5.174
63 HZ3 LYS 11 2HZ LYS 11 -4.936 11.589 6.552
64 HA PRO 12 HA PRO 12 1.420 9.866 -0.527
65 HB2 PRO 12 1HB PRO 12 2.353 8.000 1.211
66 HB3 PRO 12 2HB PRO 12 2.859 9.693 1.256
67 HG2 PRO 12 1HG PRO 12 0.822 8.280 2.933
68 HG3 PRO 12 2HG PRO 12 2.058 9.452 3.425
69 HD2 PRO 12 1HD PRO 12 -0.537 10.137 3.064
70 HD3 PRO 12 2HD PRO 12 0.801 11.257 2.737
71 H TYR 13 H TYR 13 0.739 7.145 1.511
72 HA TYR 13 HA TYR 13 -0.752 5.885 -0.697
73 HB2 TYR 13 1HB TYR 13 1.129 4.582 1.281
74 HB3 TYR 13 2HB TYR 13 0.213 3.736 0.039
75 HD1 TYR 13 HD2 TYR 13 3.036 5.990 0.684
76 HD2 TYR 13 HD1 TYR 13 0.879 3.833 -2.282
77 HE1 TYR 13 HE2 TYR 13 4.875 6.353 -0.909
78 HE2 TYR 13 HE1 TYR 13 2.713 4.188 -3.882
79 HH TYR 13 HH TYR 13 4.652 6.114 -4.060
80 H GLU 14 H GLU 14 -2.037 3.918 0.117
81 HA GLU 14 HA GLU 14 -3.130 4.303 2.795
82 HB2 GLU 14 1HB GLU 14 -4.449 5.675 1.089
83 HB3 GLU 14 2HB GLU 14 -4.979 4.137 0.421
84 HG2 GLU 14 1HG GLU 14 -6.146 3.567 2.377
85 HG3 GLU 14 2HG GLU 14 -5.353 4.832 3.314
86 H CYS 15 H CYS 15 -3.225 2.392 3.750
87 HA CYS 15 HA CYS 15 -2.853 -0.042 2.331
88 HB2 CYS 15 1HB CYS 15 -2.293 0.626 4.823
89 HB3 CYS 15 2HB CYS 15 -3.907 -0.008 5.128
90 H LYS 16 H LYS 16 -4.329 -1.943 2.615
91 HA LYS 16 HA LYS 16 -7.099 -1.094 2.115
92 HB2 LYS 16 1HB LYS 16 -5.939 -2.313 0.288
93 HB3 LYS 16 2HB LYS 16 -5.745 -3.692 1.363
94 HG2 LYS 16 1HG LYS 16 -7.602 -4.298 0.162
95 HG3 LYS 16 2HG LYS 16 -8.335 -3.542 1.578
96 HD2 LYS 16 1HD LYS 16 -8.607 -1.459 0.334
97 HD3 LYS 16 2HD LYS 16 -7.844 -2.193 -1.078
98 HE2 LYS 16 1HE LYS 16 -10.120 -2.375 -1.531
99 HE3 LYS 16 2HE LYS 16 -9.699 -3.965 -0.898
100 HZ1 LYS 16 3HZ LYS 16 -11.544 -2.060 0.122
101 HZ2 LYS 16 1HZ LYS 16 -10.397 -2.466 1.297
102 HZ3 LYS 16 2HZ LYS 16 -11.322 -3.678 0.564
103 H GLU 17 H GLU 17 -5.092 -2.833 4.278
104 HA GLU 17 HA GLU 17 -7.320 -4.310 5.444
105 HB2 GLU 17 1HB GLU 17 -5.339 -5.600 5.307
106 HB3 GLU 17 2HB GLU 17 -4.351 -4.294 5.948
107 HG2 GLU 17 1HG GLU 17 -4.521 -5.804 7.706
108 HG3 GLU 17 2HG GLU 17 -5.703 -4.555 8.093
109 H CYS 18 H CYS 18 -4.724 -2.242 6.760
110 HA CYS 18 HA CYS 18 -6.471 -1.490 8.970
111 HB2 CYS 18 1HB CYS 18 -4.482 -0.504 9.967
112 HB3 CYS 18 2HB CYS 18 -4.133 -2.146 9.437
113 H ARG 19 H ARG 19 -5.792 -0.381 5.912
114 HA ARG 19 HA ARG 19 -6.035 1.606 4.818
115 HB2 ARG 19 1HB ARG 19 -8.096 1.762 7.001
116 HB3 ARG 19 2HB ARG 19 -7.913 3.062 5.831
117 HG2 ARG 19 1HG ARG 19 -9.518 1.853 4.782
118 HG3 ARG 19 2HG ARG 19 -8.092 1.051 4.120
119 HD2 ARG 19 1HD ARG 19 -9.711 -0.595 4.857
120 HD3 ARG 19 2HD ARG 19 -8.267 -0.666 5.867
121 HE ARG 19 HE ARG 19 -9.914 0.992 7.238
122 HH11 ARG 19 1HH1 ARG 19 -10.278 -2.204 5.905
123 HH12 ARG 19 2HH1 ARG 19 -11.415 -2.718 7.107
124 HH21 ARG 19 1HH2 ARG 19 -11.410 0.327 8.826
125 HH22 ARG 19 2HH2 ARG 19 -12.059 -1.277 8.768
126 H LYS 20 H LYS 20 -3.773 1.751 6.164
127 HA LYS 20 HA LYS 20 -3.822 4.333 7.582
128 HB2 LYS 20 1HB LYS 20 -2.089 1.907 7.846
129 HB3 LYS 20 2HB LYS 20 -1.433 3.481 8.275
130 HG2 LYS 20 1HG LYS 20 -3.179 3.802 9.915
131 HG3 LYS 20 2HG LYS 20 -3.938 2.281 9.440
132 HD2 LYS 20 1HD LYS 20 -2.734 1.682 11.331
133 HD3 LYS 20 2HD LYS 20 -1.640 1.235 10.021
134 HE2 LYS 20 1HE LYS 20 -0.193 2.365 11.385
135 HE3 LYS 20 2HE LYS 20 -0.759 3.691 10.370
136 HZ1 LYS 20 3HZ LYS 20 -0.889 4.467 12.562
137 HZ2 LYS 20 1HZ LYS 20 -1.580 3.033 13.136
138 HZ3 LYS 20 2HZ LYS 20 -2.483 4.074 12.155
139 H THR 21 H THR 21 -2.042 5.799 7.191
140 HA THR 21 HA THR 21 -1.156 5.681 4.397
141 HB THR 21 HB THR 21 -0.725 8.084 4.586
142 HG1 THR 21 HG1 THR 21 -1.497 9.105 6.588
143 HG21 THR 21 3HG2 THR 21 -2.884 8.630 4.223
144 HG22 THR 21 1HG2 THR 21 -3.416 7.981 5.773
145 HG23 THR 21 2HG2 THR 21 -3.162 6.898 4.404
146 H PHE 22 H PHE 22 1.013 6.345 3.855
147 HA PHE 22 HA PHE 22 2.969 6.179 6.027
148 HB2 PHE 22 1HB PHE 22 2.978 4.448 3.548
149 HB3 PHE 22 2HB PHE 22 4.359 4.626 4.626
150 HD1 PHE 22 HD1 PHE 22 0.760 3.677 4.665
151 HD2 PHE 22 HD2 PHE 22 4.618 3.159 6.385
152 HE1 PHE 22 HE1 PHE 22 -0.118 1.865 6.080
153 HE2 PHE 22 HE2 PHE 22 3.747 1.346 7.802
154 HZ PHE 22 HZ PHE 22 1.377 0.697 7.650
155 H ILE 23 H ILE 23 4.343 7.813 5.876
156 HA ILE 23 HA ILE 23 4.369 9.708 3.860
157 HB ILE 23 HB ILE 23 6.648 9.015 5.718
158 HG12 ILE 23 1HG1 ILE 23 4.688 11.254 6.114
159 HG13 ILE 23 2HG1 ILE 23 4.284 9.624 6.641
160 HG21 ILE 23 1HG2 ILE 23 7.363 10.398 3.840
161 HG22 ILE 23 2HG2 ILE 23 6.075 11.550 4.188
162 HG23 ILE 23 3HG2 ILE 23 7.385 11.317 5.346
163 HD11 ILE 23 3HD1 ILE 23 6.779 11.059 7.498
164 HD12 ILE 23 1HD1 ILE 23 5.260 11.124 8.391
165 HD13 ILE 23 2HD1 ILE 23 6.088 9.583 8.171
166 H GLN 24 H GLN 24 6.433 6.864 4.268
167 HA GLN 24 HA GLN 24 7.550 7.366 1.590
168 HB2 GLN 24 1HB GLN 24 8.688 6.168 4.068
169 HB3 GLN 24 2HB GLN 24 9.236 5.531 2.523
170 HG2 GLN 24 1HG GLN 24 10.216 7.528 1.897
171 HG3 GLN 24 2HG GLN 24 9.245 8.474 3.023
172 HE21 GLN 24 1HE2 GLN 24 9.594 7.595 5.394
173 HE22 GLN 24 2HE2 GLN 24 11.253 7.489 5.862
174 H ILE 25 H ILE 25 8.261 5.220 0.513
175 HA ILE 25 HA ILE 25 5.895 3.518 0.431
176 HB ILE 25 HB ILE 25 6.769 4.378 -1.691
177 HG12 ILE 25 1HG1 ILE 25 7.157 2.030 -2.774
178 HG13 ILE 25 2HG1 ILE 25 6.801 1.424 -1.160
179 HG21 ILE 25 1HG2 ILE 25 9.229 4.051 -0.658
180 HG22 ILE 25 2HG2 ILE 25 9.126 2.606 -1.661
181 HG23 ILE 25 3HG2 ILE 25 8.910 4.199 -2.386
182 HD11 ILE 25 3HD1 ILE 25 4.831 1.423 -2.593
183 HD12 ILE 25 1HD1 ILE 25 4.631 2.507 -1.216
184 HD13 ILE 25 2HD1 ILE 25 4.989 3.166 -2.813
185 H GLY 26 H GLY 26 9.348 3.326 1.108
186 HA2 GLY 26 1HA GLY 26 9.693 0.576 1.215
187 HA3 GLY 26 2HA GLY 26 10.583 1.728 2.199
188 H HIS 27 H HIS 27 8.704 2.740 3.864
189 HA HIS 27 HA HIS 27 8.477 0.788 5.846
190 HB2 HIS 27 1HB HIS 27 7.174 3.467 5.446
191 HB3 HIS 27 2HB HIS 27 6.745 2.454 6.822
192 HD2 HIS 27 HD2 HIS 27 10.067 1.536 7.162
193 HE1 HIS 27 HE1 HIS 27 10.332 5.611 8.312
194 HE2 HIS 27 HE2 HIS 27 11.500 3.380 8.274
195 H LEU 28 H LEU 28 6.181 1.853 3.396
196 HA LEU 28 HA LEU 28 4.006 0.298 4.422
197 HB2 LEU 28 1HB LEU 28 3.325 2.143 3.190
198 HB3 LEU 28 2HB LEU 28 4.510 1.853 1.918
199 HG LEU 28 HG LEU 28 3.175 -0.078 1.155
200 HD11 LEU 28 1HD1 LEU 28 0.759 -0.072 2.051
201 HD12 LEU 28 2HD1 LEU 28 1.444 0.750 3.452
202 HD13 LEU 28 3HD1 LEU 28 2.016 -0.858 3.008
203 HD21 LEU 28 3HD2 LEU 28 2.842 2.443 0.488
204 HD22 LEU 28 1HD2 LEU 28 1.275 2.212 1.264
205 HD23 LEU 28 2HD2 LEU 28 1.743 1.195 -0.100
206 H ASN 29 H ASN 29 6.536 -0.174 2.041
207 HA ASN 29 HA ASN 29 5.512 -2.424 0.731
208 HB2 ASN 29 1HB ASN 29 8.256 -1.316 1.165
209 HB3 ASN 29 2HB ASN 29 8.092 -2.932 0.484
210 HD21 ASN 29 1HD2 ASN 29 8.928 -0.185 -0.547
211 HD22 ASN 29 2HD2 ASN 29 8.054 -0.026 -2.029
212 H GLN 30 H GLN 30 7.438 -2.142 3.683
213 HA GLN 30 HA GLN 30 7.508 -5.013 4.049
214 HB2 GLN 30 1HB GLN 30 9.465 -3.834 4.742
215 HB3 GLN 30 2HB GLN 30 8.521 -2.700 5.699
216 HG2 GLN 30 1HG GLN 30 7.906 -4.510 7.227
217 HG3 GLN 30 2HG GLN 30 8.875 -5.633 6.274
218 HE21 GLN 30 1HE2 GLN 30 8.856 -3.606 8.902
219 HE22 GLN 30 2HE2 GLN 30 10.559 -3.466 9.152
220 H HIS 31 H HIS 31 5.564 -2.338 5.029
221 HA HIS 31 HA HIS 31 4.384 -3.691 7.291
222 HB2 HIS 31 1HB HIS 31 4.361 -1.404 7.637
223 HB3 HIS 31 2HB HIS 31 4.004 -1.046 5.949
224 HD1 HIS 31 HD1 HIS 31 2.375 -1.858 9.202
225 HD2 HIS 31 HD2 HIS 31 1.275 -1.094 5.269
226 HE1 HIS 31 HE1 HIS 31 -0.112 -1.488 9.259
227 H LYS 32 H LYS 32 3.927 -3.665 3.928
228 HA LYS 32 HA LYS 32 1.129 -4.491 4.107
229 HB2 LYS 32 1HB LYS 32 1.019 -4.219 1.751
230 HB3 LYS 32 2HB LYS 32 1.938 -2.850 2.361
231 HG2 LYS 32 1HG LYS 32 3.890 -3.556 1.416
232 HG3 LYS 32 2HG LYS 32 3.434 -5.260 1.480
233 HD2 LYS 32 1HD LYS 32 1.946 -4.998 -0.378
234 HD3 LYS 32 2HD LYS 32 2.150 -3.245 -0.360
235 HE2 LYS 32 1HE LYS 32 3.538 -3.914 -2.096
236 HE3 LYS 32 2HE LYS 32 4.651 -3.763 -0.737
237 HZ1 LYS 32 3HZ LYS 32 3.461 -6.286 -1.757
238 HZ2 LYS 32 1HZ LYS 32 4.461 -6.167 -0.397
239 HZ3 LYS 32 2HZ LYS 32 5.071 -5.795 -1.930
240 H ARG 33 H ARG 33 4.294 -5.797 3.712
241 HA ARG 33 HA ARG 33 3.342 -8.323 2.644
242 HB2 ARG 33 1HB ARG 33 5.610 -8.943 2.435
243 HB3 ARG 33 2HB ARG 33 5.556 -7.235 2.020
244 HG2 ARG 33 1HG ARG 33 7.357 -7.208 3.392
245 HG3 ARG 33 2HG ARG 33 6.095 -6.981 4.604
246 HD2 ARG 33 1HD ARG 33 7.348 -8.674 5.543
247 HD3 ARG 33 2HD ARG 33 6.096 -9.582 4.696
248 HE ARG 33 HE ARG 33 7.685 -10.344 3.198
249 HH11 ARG 33 1HH1 ARG 33 9.049 -7.926 5.298
250 HH12 ARG 33 2HH1 ARG 33 10.685 -8.256 4.832
251 HH21 ARG 33 1HH2 ARG 33 9.834 -10.788 2.575
252 HH22 ARG 33 2HH2 ARG 33 11.130 -9.883 3.282
253 H VAL 34 H VAL 34 3.930 -6.885 5.692
254 HA VAL 34 HA VAL 34 4.379 -9.353 7.118
255 HB VAL 34 HB VAL 34 4.214 -7.972 9.151
256 HG11 VAL 34 1HG1 VAL 34 6.394 -7.864 8.632
257 HG12 VAL 34 2HG1 VAL 34 6.073 -7.467 6.942
258 HG13 VAL 34 3HG1 VAL 34 6.033 -6.200 8.170
259 HG21 VAL 34 3HG2 VAL 34 3.651 -5.708 7.236
260 HG22 VAL 34 1HG2 VAL 34 2.508 -6.402 8.387
261 HG23 VAL 34 2HG2 VAL 34 3.936 -5.547 8.969
262 H HIS 35 H HIS 35 1.687 -7.162 6.517
263 HA HIS 35 HA HIS 35 -0.198 -7.941 8.309
264 HB2 HIS 35 1HB HIS 35 -0.335 -7.101 5.457
265 HB3 HIS 35 2HB HIS 35 -1.798 -7.766 6.178
266 HD1 HIS 35 HD1 HIS 35 -1.406 -6.486 9.022
267 HD2 HIS 35 HD2 HIS 35 -1.116 -4.468 5.402
268 HE1 HIS 35 HE1 HIS 35 -1.855 -4.071 9.561
269 H THR 36 H THR 36 0.682 -9.664 5.339
270 HA THR 36 HA THR 36 -1.180 -11.807 5.882
271 HB THR 36 HB THR 36 -0.802 -11.252 3.567
272 HG1 THR 36 HG1 THR 36 -1.146 -13.449 3.913
273 HG21 THR 36 3HG2 THR 36 1.396 -10.299 3.639
274 HG22 THR 36 1HG2 THR 36 1.440 -11.670 2.531
275 HG23 THR 36 2HG2 THR 36 2.099 -11.831 4.159
276 H GLY 37 H GLY 37 2.288 -11.237 6.136
277 HA2 GLY 37 1HA GLY 37 3.257 -13.781 6.534
278 HA3 GLY 37 2HA GLY 37 3.897 -12.356 7.339
279 H GLU 38 H GLU 38 1.711 -11.678 8.935
280 HA GLU 38 HA GLU 38 1.745 -13.919 10.836
281 HB2 GLU 38 1HB GLU 38 1.262 -12.231 12.563
282 HB3 GLU 38 2HB GLU 38 2.745 -11.874 11.690
283 HG2 GLU 38 1HG GLU 38 1.790 -10.085 10.548
284 HG3 GLU 38 2HG GLU 38 0.147 -10.621 10.896
285 H ARG 39 H ARG 39 -0.073 -14.002 8.697
286 HA ARG 39 HA ARG 39 -2.648 -13.145 9.736
287 HB2 ARG 39 1HB ARG 39 -1.791 -13.204 7.231
288 HB3 ARG 39 2HB ARG 39 -2.390 -14.855 7.305
289 HG2 ARG 39 1HG ARG 39 -4.567 -13.826 8.172
290 HG3 ARG 39 2HG ARG 39 -3.914 -12.294 7.588
291 HD2 ARG 39 1HD ARG 39 -3.920 -14.660 5.773
292 HD3 ARG 39 2HD ARG 39 -5.429 -13.792 6.052
293 HE ARG 39 HE ARG 39 -3.390 -11.960 5.405
294 HH11 ARG 39 1HH1 ARG 39 -5.360 -14.438 3.958
295 HH12 ARG 39 2HH1 ARG 39 -5.313 -13.735 2.376
296 HH21 ARG 39 1HH2 ARG 39 -3.320 -11.023 3.327
297 HH22 ARG 39 2HH2 ARG 39 -4.151 -11.793 2.017
298 H SER 40 H SER 40 -4.332 -14.525 10.304
299 HA SER 40 HA SER 40 -3.476 -17.244 11.028
300 HB2 SER 40 1HB SER 40 -4.311 -15.531 12.788
301 HB3 SER 40 2HB SER 40 -5.914 -15.878 12.142
302 HG SER 40 HG SER 40 -5.773 -17.420 13.602
303 H SER 41 H SER 41 -4.063 -18.651 9.504
304 HA SER 41 HA SER 41 -5.861 -18.488 7.509
305 HB2 SER 41 1HB SER 41 -5.298 -20.938 9.194
306 HB3 SER 41 2HB SER 41 -6.100 -20.970 7.624
307 HG SER 41 HG SER 41 -4.243 -20.341 6.652
308 H GLY 42 H GLY 42 -7.922 -17.899 7.464
309 HA2 GLY 42 1HA GLY 42 -10.163 -17.796 7.955
310 HA3 GLY 42 2HA GLY 42 -9.952 -19.300 8.839
311 HA PRO 43 HA PRO 43 -9.056 -15.750 12.004
312 HB2 PRO 43 1HB PRO 43 -9.623 -13.225 11.184
313 HB3 PRO 43 2HB PRO 43 -8.033 -13.970 10.973
314 HG2 PRO 43 1HG PRO 43 -10.261 -13.666 8.996
315 HG3 PRO 43 2HG PRO 43 -8.520 -13.420 8.767
316 HD2 PRO 43 1HD PRO 43 -9.789 -15.676 7.972
317 HD3 PRO 43 2HD PRO 43 -8.104 -15.674 8.531
318 H SER 44 H SER 44 -11.741 -16.180 10.005
319 HA SER 44 HA SER 44 -13.733 -14.602 11.065
320 HB2 SER 44 1HB SER 44 -13.824 -16.370 9.164
321 HB3 SER 44 2HB SER 44 -14.250 -17.500 10.449
322 HG SER 44 HG SER 44 -15.632 -15.133 9.715
323 H SER 45 H SER 45 -15.628 -15.556 12.418
324 HA SER 45 HA SER 45 -14.587 -17.040 14.728
325 HB2 SER 45 1HB SER 45 -15.863 -15.470 16.223
326 HB3 SER 45 2HB SER 45 -14.476 -14.738 15.418
327 HG SER 45 HG SER 45 -17.009 -14.597 14.217
328 H GLY 46 H GLY 46 -16.245 -18.031 16.053
329 HA2 GLY 46 1HA GLY 46 -18.973 -18.060 15.158
330 HA3 GLY 46 2HA GLY 46 -18.100 -19.515 14.700
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -24.590 15.703 0.441
2 HA2 GLY 1 1HA GLY 1 -25.099 14.101 -1.761
3 HA3 GLY 1 2HA GLY 1 -25.560 15.730 -2.233
4 H SER 2 H SER 2 -22.875 14.437 -0.282
5 HA SER 2 HA SER 2 -20.953 15.268 -2.284
6 HB2 SER 2 1HB SER 2 -19.705 16.740 -0.764
7 HB3 SER 2 2HB SER 2 -21.338 17.350 -1.027
8 HG SER 2 HG SER 2 -20.367 15.937 1.232
9 H SER 3 H SER 3 -19.535 13.673 -2.408
10 HA SER 3 HA SER 3 -19.322 11.653 -0.419
11 HB2 SER 3 1HB SER 3 -17.430 10.821 -1.871
12 HB3 SER 3 2HB SER 3 -18.969 11.026 -2.706
13 HG SER 3 HG SER 3 -16.585 12.369 -3.036
14 H GLY 4 H GLY 4 -18.549 12.331 1.520
15 HA2 GLY 4 1HA GLY 4 -17.139 13.392 3.036
16 HA3 GLY 4 2HA GLY 4 -15.967 12.373 2.213
17 H SER 5 H SER 5 -17.705 15.350 1.305
18 HA SER 5 HA SER 5 -15.138 16.471 0.426
19 HB2 SER 5 1HB SER 5 -17.063 16.347 -1.196
20 HB3 SER 5 2HB SER 5 -17.912 17.513 -0.182
21 HG SER 5 HG SER 5 -16.857 18.652 -1.768
22 H SER 6 H SER 6 -14.407 17.076 2.505
23 HA SER 6 HA SER 6 -15.088 19.707 3.275
24 HB2 SER 6 1HB SER 6 -16.063 19.309 5.463
25 HB3 SER 6 2HB SER 6 -17.054 18.518 4.238
26 HG SER 6 HG SER 6 -16.546 17.235 6.152
27 H GLY 7 H GLY 7 -13.369 20.597 4.247
28 HA2 GLY 7 1HA GLY 7 -11.464 20.765 5.562
29 HA3 GLY 7 2HA GLY 7 -11.660 19.075 6.005
30 H SER 8 H SER 8 -9.975 21.301 4.067
31 HA SER 8 HA SER 8 -9.082 19.583 2.004
32 HB2 SER 8 1HB SER 8 -8.956 22.164 2.149
33 HB3 SER 8 2HB SER 8 -7.467 21.896 3.056
34 HG SER 8 HG SER 8 -7.688 21.981 0.482
35 H GLY 9 H GLY 9 -7.353 18.236 1.851
36 HA2 GLY 9 1HA GLY 9 -5.091 18.175 3.455
37 HA3 GLY 9 2HA GLY 9 -6.279 17.151 4.247
38 H LYS 10 H LYS 10 -3.656 16.867 2.524
39 HA LYS 10 HA LYS 10 -4.682 14.719 0.790
40 HB2 LYS 10 1HB LYS 10 -2.232 16.460 0.576
41 HB3 LYS 10 2HB LYS 10 -2.401 14.970 -0.343
42 HG2 LYS 10 1HG LYS 10 -3.189 16.449 -1.874
43 HG3 LYS 10 2HG LYS 10 -4.697 16.073 -1.037
44 HD2 LYS 10 1HD LYS 10 -4.220 18.070 0.443
45 HD3 LYS 10 2HD LYS 10 -2.934 18.490 -0.691
46 HE2 LYS 10 1HE LYS 10 -4.634 19.708 -1.594
47 HE3 LYS 10 2HE LYS 10 -4.891 18.188 -2.449
48 HZ1 LYS 10 3HZ LYS 10 -6.371 19.213 -0.096
49 HZ2 LYS 10 1HZ LYS 10 -6.492 17.612 -0.629
50 HZ3 LYS 10 2HZ LYS 10 -6.979 18.878 -1.639
51 H LYS 11 H LYS 11 -3.100 12.888 0.479
52 HA LYS 11 HA LYS 11 -1.401 12.368 2.791
53 HB2 LYS 11 1HB LYS 11 -3.637 10.505 1.969
54 HB3 LYS 11 2HB LYS 11 -2.433 10.179 3.209
55 HG2 LYS 11 1HG LYS 11 -3.374 12.443 4.202
56 HG3 LYS 11 2HG LYS 11 -4.801 11.962 3.280
57 HD2 LYS 11 1HD LYS 11 -5.248 10.909 5.259
58 HD3 LYS 11 2HD LYS 11 -4.331 9.637 4.449
59 HE2 LYS 11 1HE LYS 11 -3.519 9.868 6.699
60 HE3 LYS 11 2HE LYS 11 -2.286 10.457 5.586
61 HZ1 LYS 11 3HZ LYS 11 -4.144 12.458 6.555
62 HZ2 LYS 11 1HZ LYS 11 -2.467 12.543 6.354
63 HZ3 LYS 11 2HZ LYS 11 -3.117 11.804 7.729
64 HA PRO 12 HA PRO 12 1.184 10.419 -0.176
65 HB2 PRO 12 1HB PRO 12 2.450 8.583 1.372
66 HB3 PRO 12 2HB PRO 12 2.785 10.316 1.469
67 HG2 PRO 12 1HG PRO 12 1.055 8.619 3.228
68 HG3 PRO 12 2HG PRO 12 2.206 9.890 3.681
69 HD2 PRO 12 1HD PRO 12 -0.466 10.315 3.574
70 HD3 PRO 12 2HD PRO 12 0.718 11.584 3.200
71 H TYR 13 H TYR 13 0.962 7.549 1.757
72 HA TYR 13 HA TYR 13 -0.416 6.199 -0.462
73 HB2 TYR 13 1HB TYR 13 1.495 5.164 1.633
74 HB3 TYR 13 2HB TYR 13 0.576 4.107 0.567
75 HD1 TYR 13 HD2 TYR 13 3.308 6.543 0.765
76 HD2 TYR 13 HD1 TYR 13 1.127 3.927 -1.785
77 HE1 TYR 13 HE2 TYR 13 5.058 6.765 -0.950
78 HE2 TYR 13 HE1 TYR 13 2.871 4.141 -3.506
79 HH TYR 13 HH TYR 13 4.653 5.498 -4.163
80 H GLU 14 H GLU 14 -1.350 3.957 0.596
81 HA GLU 14 HA GLU 14 -2.661 4.234 3.099
82 HB2 GLU 14 1HB GLU 14 -5.005 4.278 2.092
83 HB3 GLU 14 2HB GLU 14 -4.117 5.795 2.107
84 HG2 GLU 14 1HG GLU 14 -3.713 5.720 -0.190
85 HG3 GLU 14 2HG GLU 14 -4.104 4.004 -0.292
86 H CYS 15 H CYS 15 -2.908 2.231 3.816
87 HA CYS 15 HA CYS 15 -2.459 -0.045 2.239
88 HB2 CYS 15 1HB CYS 15 -2.387 0.353 4.857
89 HB3 CYS 15 2HB CYS 15 -4.032 -0.270 4.768
90 H LYS 16 H LYS 16 -4.144 -1.950 2.389
91 HA LYS 16 HA LYS 16 -6.661 -0.919 1.260
92 HB2 LYS 16 1HB LYS 16 -5.386 -3.618 0.787
93 HB3 LYS 16 2HB LYS 16 -6.807 -2.971 -0.024
94 HG2 LYS 16 1HG LYS 16 -4.271 -1.434 -0.197
95 HG3 LYS 16 2HG LYS 16 -4.426 -2.915 -1.145
96 HD2 LYS 16 1HD LYS 16 -6.649 -0.933 -1.216
97 HD3 LYS 16 2HD LYS 16 -5.173 -0.582 -2.119
98 HE2 LYS 16 1HE LYS 16 -6.709 -1.692 -3.585
99 HE3 LYS 16 2HE LYS 16 -5.393 -2.806 -3.215
100 HZ1 LYS 16 3HZ LYS 16 -7.671 -3.787 -3.130
101 HZ2 LYS 16 1HZ LYS 16 -7.986 -2.821 -1.777
102 HZ3 LYS 16 2HZ LYS 16 -6.766 -3.991 -1.716
103 H GLU 17 H GLU 17 -5.283 -2.707 3.814
104 HA GLU 17 HA GLU 17 -7.888 -3.876 4.517
105 HB2 GLU 17 1HB GLU 17 -6.245 -5.016 6.298
106 HB3 GLU 17 2HB GLU 17 -6.515 -5.679 4.692
107 HG2 GLU 17 1HG GLU 17 -4.250 -3.829 5.393
108 HG3 GLU 17 2HG GLU 17 -4.132 -5.588 5.386
109 H CYS 18 H CYS 18 -5.093 -2.278 6.047
110 HA CYS 18 HA CYS 18 -6.819 -1.422 8.248
111 HB2 CYS 18 1HB CYS 18 -4.815 -0.917 9.456
112 HB3 CYS 18 2HB CYS 18 -4.586 -2.489 8.699
113 H ARG 19 H ARG 19 -6.048 -0.299 5.293
114 HA ARG 19 HA ARG 19 -5.827 1.760 4.308
115 HB2 ARG 19 1HB ARG 19 -7.866 2.321 6.468
116 HB3 ARG 19 2HB ARG 19 -7.540 3.393 5.112
117 HG2 ARG 19 1HG ARG 19 -8.411 0.539 4.763
118 HG3 ARG 19 2HG ARG 19 -9.542 1.888 4.880
119 HD2 ARG 19 1HD ARG 19 -7.310 2.086 2.927
120 HD3 ARG 19 2HD ARG 19 -8.653 1.008 2.548
121 HE ARG 19 HE ARG 19 -8.695 3.891 2.599
122 HH11 ARG 19 1HH1 ARG 19 -10.584 0.970 2.732
123 HH12 ARG 19 2HH1 ARG 19 -12.044 1.735 2.197
124 HH21 ARG 19 1HH2 ARG 19 -10.610 4.910 1.895
125 HH22 ARG 19 2HH2 ARG 19 -12.057 3.976 1.720
126 H LYS 20 H LYS 20 -3.628 1.509 5.710
127 HA LYS 20 HA LYS 20 -3.365 3.917 7.378
128 HB2 LYS 20 1HB LYS 20 -2.697 1.754 8.401
129 HB3 LYS 20 2HB LYS 20 -1.484 1.560 7.142
130 HG2 LYS 20 1HG LYS 20 -0.253 3.439 7.929
131 HG3 LYS 20 2HG LYS 20 -1.546 3.890 9.043
132 HD2 LYS 20 1HD LYS 20 -1.129 1.453 9.967
133 HD3 LYS 20 2HD LYS 20 0.461 1.698 9.240
134 HE2 LYS 20 1HE LYS 20 0.801 2.492 11.376
135 HE3 LYS 20 2HE LYS 20 0.384 3.971 10.512
136 HZ1 LYS 20 3HZ LYS 20 -1.248 2.417 12.409
137 HZ2 LYS 20 1HZ LYS 20 -1.997 3.410 11.262
138 HZ3 LYS 20 2HZ LYS 20 -0.928 4.078 12.389
139 H THR 21 H THR 21 -2.099 5.572 6.763
140 HA THR 21 HA THR 21 -0.953 5.478 4.093
141 HB THR 21 HB THR 21 -0.606 7.897 4.362
142 HG1 THR 21 HG1 THR 21 -1.933 7.740 6.859
143 HG21 THR 21 3HG2 THR 21 -3.026 6.577 4.124
144 HG22 THR 21 1HG2 THR 21 -2.731 8.279 3.773
145 HG23 THR 21 2HG2 THR 21 -3.337 7.798 5.358
146 H PHE 22 H PHE 22 1.205 6.402 3.693
147 HA PHE 22 HA PHE 22 3.087 6.295 5.904
148 HB2 PHE 22 1HB PHE 22 3.347 4.466 3.508
149 HB3 PHE 22 2HB PHE 22 4.557 4.675 4.769
150 HD1 PHE 22 HD1 PHE 22 1.099 3.516 4.136
151 HD2 PHE 22 HD2 PHE 22 4.457 3.435 6.750
152 HE1 PHE 22 HE1 PHE 22 0.031 1.728 5.447
153 HE2 PHE 22 HE2 PHE 22 3.395 1.646 8.064
154 HZ PHE 22 HZ PHE 22 1.180 0.790 7.413
155 H ILE 23 H ILE 23 4.745 7.680 5.639
156 HA ILE 23 HA ILE 23 4.689 9.553 3.526
157 HB ILE 23 HB ILE 23 6.894 9.011 5.518
158 HG12 ILE 23 1HG1 ILE 23 4.856 11.226 5.623
159 HG13 ILE 23 2HG1 ILE 23 4.543 9.654 6.350
160 HG21 ILE 23 1HG2 ILE 23 6.434 11.246 3.567
161 HG22 ILE 23 2HG2 ILE 23 7.437 11.447 5.002
162 HG23 ILE 23 3HG2 ILE 23 7.873 10.251 3.783
163 HD11 ILE 23 3HD1 ILE 23 6.545 9.934 7.747
164 HD12 ILE 23 1HD1 ILE 23 6.780 11.538 7.054
165 HD13 ILE 23 2HD1 ILE 23 5.342 11.194 8.016
166 H GLN 24 H GLN 24 6.704 6.727 4.167
167 HA GLN 24 HA GLN 24 8.038 7.128 1.578
168 HB2 GLN 24 1HB GLN 24 8.818 5.567 4.034
169 HB3 GLN 24 2HB GLN 24 9.620 5.337 2.485
170 HG2 GLN 24 1HG GLN 24 10.301 7.666 2.467
171 HG3 GLN 24 2HG GLN 24 9.456 7.938 3.990
172 HE21 GLN 24 1HE2 GLN 24 10.620 7.797 5.766
173 HE22 GLN 24 2HE2 GLN 24 12.138 6.987 5.926
174 H ILE 25 H ILE 25 8.378 5.261 0.212
175 HA ILE 25 HA ILE 25 6.007 3.641 0.033
176 HB ILE 25 HB ILE 25 7.053 4.524 -1.997
177 HG12 ILE 25 1HG1 ILE 25 7.146 2.371 -3.281
178 HG13 ILE 25 2HG1 ILE 25 7.083 1.510 -1.748
179 HG21 ILE 25 1HG2 ILE 25 9.410 4.204 -0.985
180 HG22 ILE 25 2HG2 ILE 25 9.308 2.584 -1.672
181 HG23 ILE 25 3HG2 ILE 25 9.193 3.997 -2.722
182 HD11 ILE 25 3HD1 ILE 25 4.907 2.610 -1.291
183 HD12 ILE 25 1HD1 ILE 25 4.967 3.299 -2.913
184 HD13 ILE 25 2HD1 ILE 25 4.897 1.549 -2.699
185 H GLY 26 H GLY 26 9.474 3.017 0.538
186 HA2 GLY 26 1HA GLY 26 9.422 0.253 0.684
187 HA3 GLY 26 2HA GLY 26 10.549 1.269 1.570
188 H HIS 27 H HIS 27 8.911 2.571 3.332
189 HA HIS 27 HA HIS 27 8.654 0.777 5.424
190 HB2 HIS 27 1HB HIS 27 7.563 3.507 4.891
191 HB3 HIS 27 2HB HIS 27 6.957 2.615 6.283
192 HD2 HIS 27 HD2 HIS 27 10.721 2.165 5.539
193 HE1 HIS 27 HE1 HIS 27 10.354 4.853 8.801
194 HE2 HIS 27 HE2 HIS 27 11.944 3.532 7.363
195 H LEU 28 H LEU 28 6.232 1.832 3.080
196 HA LEU 28 HA LEU 28 4.066 0.440 4.306
197 HB2 LEU 28 1HB LEU 28 3.623 2.329 2.891
198 HB3 LEU 28 2HB LEU 28 4.436 1.555 1.532
199 HG LEU 28 HG LEU 28 2.643 -0.150 1.480
200 HD11 LEU 28 1HD1 LEU 28 0.962 1.559 3.238
201 HD12 LEU 28 2HD1 LEU 28 2.087 0.428 3.989
202 HD13 LEU 28 3HD1 LEU 28 0.845 -0.166 2.887
203 HD21 LEU 28 3HD2 LEU 28 2.268 1.467 -0.105
204 HD22 LEU 28 1HD2 LEU 28 2.105 2.756 1.088
205 HD23 LEU 28 2HD2 LEU 28 0.795 1.598 0.856
206 H ASN 29 H ASN 29 6.243 -0.264 1.601
207 HA ASN 29 HA ASN 29 5.082 -2.606 0.677
208 HB2 ASN 29 1HB ASN 29 7.867 -1.523 0.676
209 HB3 ASN 29 2HB ASN 29 7.617 -3.195 0.183
210 HD21 ASN 29 1HD2 ASN 29 6.208 0.014 -0.370
211 HD22 ASN 29 2HD2 ASN 29 5.988 -0.189 -2.072
212 H GLN 30 H GLN 30 7.386 -2.142 3.324
213 HA GLN 30 HA GLN 30 7.673 -4.913 3.906
214 HB2 GLN 30 1HB GLN 30 9.372 -3.287 4.567
215 HB3 GLN 30 2HB GLN 30 8.217 -2.484 5.622
216 HG2 GLN 30 1HG GLN 30 9.480 -3.773 7.072
217 HG3 GLN 30 2HG GLN 30 8.031 -4.744 6.813
218 HE21 GLN 30 1HE2 GLN 30 11.361 -4.310 5.732
219 HE22 GLN 30 2HE2 GLN 30 11.633 -5.965 5.321
220 H HIS 31 H HIS 31 5.634 -2.328 5.190
221 HA HIS 31 HA HIS 31 4.501 -3.817 7.305
222 HB2 HIS 31 1HB HIS 31 4.137 -1.560 7.584
223 HB3 HIS 31 2HB HIS 31 3.811 -1.292 5.874
224 HD1 HIS 31 HD1 HIS 31 2.131 -2.835 8.909
225 HD2 HIS 31 HD2 HIS 31 1.171 -1.093 5.262
226 HE1 HIS 31 HE1 HIS 31 -0.376 -2.630 8.901
227 H LYS 32 H LYS 32 3.794 -3.606 3.902
228 HA LYS 32 HA LYS 32 1.182 -4.583 3.857
229 HB2 LYS 32 1HB LYS 32 3.457 -4.586 1.924
230 HB3 LYS 32 2HB LYS 32 2.055 -5.586 1.565
231 HG2 LYS 32 1HG LYS 32 0.651 -3.511 1.890
232 HG3 LYS 32 2HG LYS 32 2.165 -2.603 1.902
233 HD2 LYS 32 1HD LYS 32 2.701 -3.558 -0.323
234 HD3 LYS 32 2HD LYS 32 1.120 -4.344 -0.332
235 HE2 LYS 32 1HE LYS 32 1.455 -1.374 0.008
236 HE3 LYS 32 2HE LYS 32 1.311 -2.136 -1.575
237 HZ1 LYS 32 3HZ LYS 32 -0.699 -2.610 0.536
238 HZ2 LYS 32 1HZ LYS 32 -0.853 -2.813 -1.137
239 HZ3 LYS 32 2HZ LYS 32 -0.797 -1.258 -0.475
240 H ARG 33 H ARG 33 4.265 -6.295 4.008
241 HA ARG 33 HA ARG 33 2.992 -8.888 3.890
242 HB2 ARG 33 1HB ARG 33 5.182 -9.806 3.967
243 HB3 ARG 33 2HB ARG 33 5.282 -8.375 2.949
244 HG2 ARG 33 1HG ARG 33 6.490 -7.184 4.506
245 HG3 ARG 33 2HG ARG 33 5.910 -8.161 5.856
246 HD2 ARG 33 1HD ARG 33 7.738 -9.194 3.695
247 HD3 ARG 33 2HD ARG 33 8.306 -8.540 5.231
248 HE ARG 33 HE ARG 33 6.578 -10.444 6.017
249 HH11 ARG 33 1HH1 ARG 33 9.219 -10.460 3.749
250 HH12 ARG 33 2HH1 ARG 33 9.602 -12.130 4.008
251 HH21 ARG 33 1HH2 ARG 33 7.073 -12.643 6.367
252 HH22 ARG 33 2HH2 ARG 33 8.381 -13.370 5.497
253 H VAL 34 H VAL 34 4.016 -6.640 6.308
254 HA VAL 34 HA VAL 34 4.397 -8.330 8.499
255 HB VAL 34 HB VAL 34 3.421 -5.489 8.320
256 HG11 VAL 34 1HG1 VAL 34 2.429 -6.490 10.315
257 HG12 VAL 34 2HG1 VAL 34 4.021 -7.049 10.832
258 HG13 VAL 34 3HG1 VAL 34 3.678 -5.321 10.743
259 HG21 VAL 34 3HG2 VAL 34 5.805 -6.124 7.764
260 HG22 VAL 34 1HG2 VAL 34 5.604 -4.901 9.019
261 HG23 VAL 34 2HG2 VAL 34 5.990 -6.564 9.462
262 H HIS 35 H HIS 35 1.457 -7.075 7.045
263 HA HIS 35 HA HIS 35 -0.410 -7.543 9.006
264 HB2 HIS 35 1HB HIS 35 -0.477 -7.597 6.030
265 HB3 HIS 35 2HB HIS 35 -1.863 -8.267 6.885
266 HD1 HIS 35 HD1 HIS 35 -2.329 -6.338 9.111
267 HD2 HIS 35 HD2 HIS 35 -1.210 -5.103 5.305
268 HE1 HIS 35 HE1 HIS 35 -3.078 -3.944 8.933
269 H THR 36 H THR 36 0.453 -9.869 6.439
270 HA THR 36 HA THR 36 -0.396 -12.032 8.253
271 HB THR 36 HB THR 36 -0.805 -13.403 6.250
272 HG1 THR 36 HG1 THR 36 0.629 -12.380 4.804
273 HG21 THR 36 3HG2 THR 36 -2.538 -11.806 7.291
274 HG22 THR 36 1HG2 THR 36 -2.872 -12.461 5.689
275 HG23 THR 36 2HG2 THR 36 -2.272 -10.811 5.860
276 H GLY 37 H GLY 37 1.432 -12.728 9.220
277 HA2 GLY 37 1HA GLY 37 3.946 -12.856 7.817
278 HA3 GLY 37 2HA GLY 37 3.640 -13.385 9.464
279 H GLU 38 H GLU 38 1.554 -15.206 8.956
280 HA GLU 38 HA GLU 38 1.304 -17.438 8.572
281 HB2 GLU 38 1HB GLU 38 1.080 -16.402 6.249
282 HB3 GLU 38 2HB GLU 38 2.728 -16.943 5.963
283 HG2 GLU 38 1HG GLU 38 2.091 -19.234 6.259
284 HG3 GLU 38 2HG GLU 38 0.463 -18.761 6.744
285 H ARG 39 H ARG 39 3.520 -16.853 10.120
286 HA ARG 39 HA ARG 39 5.796 -18.325 9.112
287 HB2 ARG 39 1HB ARG 39 6.174 -16.362 10.507
288 HB3 ARG 39 2HB ARG 39 5.257 -17.091 11.818
289 HG2 ARG 39 1HG ARG 39 7.553 -17.333 12.343
290 HG3 ARG 39 2HG ARG 39 6.959 -18.926 11.870
291 HD2 ARG 39 1HD ARG 39 7.807 -18.331 9.526
292 HD3 ARG 39 2HD ARG 39 8.693 -17.029 10.319
293 HE ARG 39 HE ARG 39 9.254 -19.862 10.461
294 HH11 ARG 39 1HH1 ARG 39 9.779 -16.715 11.854
295 HH12 ARG 39 2HH1 ARG 39 11.254 -17.166 12.642
296 HH21 ARG 39 1HH2 ARG 39 11.195 -20.468 11.494
297 HH22 ARG 39 2HH2 ARG 39 12.059 -19.301 12.436
298 H SER 40 H SER 40 3.559 -18.681 11.867
299 HA SER 40 HA SER 40 4.417 -21.074 12.881
300 HB2 SER 40 1HB SER 40 2.569 -19.652 13.807
301 HB3 SER 40 2HB SER 40 1.504 -20.315 12.568
302 HG SER 40 HG SER 40 2.942 -22.061 14.229
303 H SER 41 H SER 41 4.338 -23.174 12.323
304 HA SER 41 HA SER 41 3.353 -23.811 9.652
305 HB2 SER 41 1HB SER 41 4.645 -25.869 9.865
306 HB3 SER 41 2HB SER 41 5.651 -24.486 10.294
307 HG SER 41 HG SER 41 4.235 -25.826 12.310
308 H GLY 42 H GLY 42 1.306 -23.337 11.441
309 HA2 GLY 42 1HA GLY 42 0.370 -25.874 12.493
310 HA3 GLY 42 2HA GLY 42 -0.461 -24.328 12.597
311 HA PRO 43 HA PRO 43 -3.249 -25.770 9.525
312 HB2 PRO 43 1HB PRO 43 -4.178 -23.385 8.618
313 HB3 PRO 43 2HB PRO 43 -4.633 -24.059 10.187
314 HG2 PRO 43 1HG PRO 43 -2.582 -21.976 9.543
315 HG3 PRO 43 2HG PRO 43 -3.767 -22.009 10.862
316 HD2 PRO 43 1HD PRO 43 -1.167 -22.674 11.222
317 HD3 PRO 43 2HD PRO 43 -2.482 -23.425 12.149
318 H SER 44 H SER 44 -3.482 -25.995 7.288
319 HA SER 44 HA SER 44 -1.123 -25.228 5.756
320 HB2 SER 44 1HB SER 44 -3.391 -27.145 5.181
321 HB3 SER 44 2HB SER 44 -2.100 -26.792 4.032
322 HG SER 44 HG SER 44 -0.703 -27.393 5.966
323 H SER 45 H SER 45 -1.254 -24.231 3.696
324 HA SER 45 HA SER 45 -3.627 -22.518 3.398
325 HB2 SER 45 1HB SER 45 -1.382 -21.424 3.783
326 HB3 SER 45 2HB SER 45 -0.885 -22.050 2.211
327 HG SER 45 HG SER 45 -2.051 -19.807 2.599
328 H GLY 46 H GLY 46 -3.888 -21.761 1.012
329 HA2 GLY 46 1HA GLY 46 -3.639 -22.426 -1.321
330 HA3 GLY 46 2HA GLY 46 -3.550 -24.093 -0.769
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -20.389 33.143 -7.794
2 HA2 GLY 1 1HA GLY 1 -18.268 31.541 -8.175
3 HA3 GLY 1 2HA GLY 1 -18.623 32.228 -6.596
4 H SER 2 H SER 2 -17.316 30.081 -6.260
5 HA SER 2 HA SER 2 -19.272 28.118 -5.368
6 HB2 SER 2 1HB SER 2 -18.376 27.526 -7.727
7 HB3 SER 2 2HB SER 2 -16.874 27.128 -6.893
8 HG SER 2 HG SER 2 -19.413 25.927 -6.650
9 H SER 3 H SER 3 -18.079 26.315 -4.114
10 HA SER 3 HA SER 3 -16.747 27.473 -1.954
11 HB2 SER 3 1HB SER 3 -16.192 25.112 -1.309
12 HB3 SER 3 2HB SER 3 -17.896 25.368 -1.685
13 HG SER 3 HG SER 3 -16.918 23.466 -2.657
14 H GLY 4 H GLY 4 -14.709 28.078 -1.629
15 HA2 GLY 4 1HA GLY 4 -12.748 27.632 -3.716
16 HA3 GLY 4 2HA GLY 4 -12.549 28.642 -2.292
17 H SER 5 H SER 5 -10.457 27.127 -3.032
18 HA SER 5 HA SER 5 -10.473 24.572 -1.708
19 HB2 SER 5 1HB SER 5 -8.062 24.525 -2.300
20 HB3 SER 5 2HB SER 5 -9.088 24.881 -3.689
21 HG SER 5 HG SER 5 -7.239 26.268 -3.514
22 H SER 6 H SER 6 -10.961 24.996 0.446
23 HA SER 6 HA SER 6 -9.256 26.800 1.959
24 HB2 SER 6 1HB SER 6 -11.697 26.732 2.392
25 HB3 SER 6 2HB SER 6 -11.540 25.053 2.909
26 HG SER 6 HG SER 6 -11.054 27.325 4.292
27 H GLY 7 H GLY 7 -7.259 25.697 1.792
28 HA2 GLY 7 1HA GLY 7 -5.628 24.442 2.860
29 HA3 GLY 7 2HA GLY 7 -6.882 23.719 3.857
30 H SER 8 H SER 8 -4.853 23.339 1.136
31 HA SER 8 HA SER 8 -6.295 20.959 0.226
32 HB2 SER 8 1HB SER 8 -4.038 22.568 -0.968
33 HB3 SER 8 2HB SER 8 -4.533 21.006 -1.620
34 HG SER 8 HG SER 8 -5.726 23.451 -1.851
35 H GLY 9 H GLY 9 -5.526 18.922 0.457
36 HA2 GLY 9 1HA GLY 9 -2.827 18.259 0.977
37 HA3 GLY 9 2HA GLY 9 -3.717 18.315 2.491
38 H LYS 10 H LYS 10 -2.513 16.164 0.561
39 HA LYS 10 HA LYS 10 -4.745 14.295 0.936
40 HB2 LYS 10 1HB LYS 10 -4.840 14.887 -1.399
41 HB3 LYS 10 2HB LYS 10 -3.109 14.630 -1.582
42 HG2 LYS 10 1HG LYS 10 -3.883 12.683 -2.462
43 HG3 LYS 10 2HG LYS 10 -3.735 12.200 -0.771
44 HD2 LYS 10 1HD LYS 10 -5.858 11.442 -1.426
45 HD3 LYS 10 2HD LYS 10 -6.171 12.930 -0.530
46 HE2 LYS 10 1HE LYS 10 -6.120 14.096 -2.804
47 HE3 LYS 10 2HE LYS 10 -6.231 12.480 -3.501
48 HZ1 LYS 10 3HZ LYS 10 -8.257 14.063 -2.196
49 HZ2 LYS 10 1HZ LYS 10 -8.205 12.455 -1.673
50 HZ3 LYS 10 2HZ LYS 10 -8.420 12.803 -3.314
51 H LYS 11 H LYS 11 -4.169 12.367 1.759
52 HA LYS 11 HA LYS 11 -1.578 11.987 2.806
53 HB2 LYS 11 1HB LYS 11 -3.677 9.857 2.390
54 HB3 LYS 11 2HB LYS 11 -2.366 9.841 3.561
55 HG2 LYS 11 1HG LYS 11 -4.649 11.804 3.563
56 HG3 LYS 11 2HG LYS 11 -4.555 10.353 4.564
57 HD2 LYS 11 1HD LYS 11 -2.319 12.330 4.634
58 HD3 LYS 11 2HD LYS 11 -3.808 12.676 5.516
59 HE2 LYS 11 1HE LYS 11 -2.664 11.569 7.145
60 HE3 LYS 11 2HE LYS 11 -3.444 10.194 6.365
61 HZ1 LYS 11 3HZ LYS 11 -0.936 10.092 6.847
62 HZ2 LYS 11 1HZ LYS 11 -0.776 11.085 5.487
63 HZ3 LYS 11 2HZ LYS 11 -1.490 9.560 5.340
64 HA PRO 12 HA PRO 12 0.642 10.091 -0.474
65 HB2 PRO 12 1HB PRO 12 2.276 8.425 0.912
66 HB3 PRO 12 2HB PRO 12 2.488 10.179 0.891
67 HG2 PRO 12 1HG PRO 12 1.196 8.452 2.967
68 HG3 PRO 12 2HG PRO 12 2.304 9.821 3.181
69 HD2 PRO 12 1HD PRO 12 -0.376 10.052 3.495
70 HD3 PRO 12 2HD PRO 12 0.632 11.381 2.888
71 H TYR 13 H TYR 13 0.958 7.308 1.566
72 HA TYR 13 HA TYR 13 -0.521 5.725 -0.405
73 HB2 TYR 13 1HB TYR 13 1.347 4.809 1.792
74 HB3 TYR 13 2HB TYR 13 0.640 3.791 0.542
75 HD1 TYR 13 HD1 TYR 13 1.016 5.175 -1.915
76 HD2 TYR 13 HD2 TYR 13 3.616 5.027 1.450
77 HE1 TYR 13 HE1 TYR 13 2.933 5.640 -3.384
78 HE2 TYR 13 HE2 TYR 13 5.540 5.492 -0.010
79 HH TYR 13 HH TYR 13 5.260 5.491 -3.477
80 H GLU 14 H GLU 14 -1.524 3.654 0.677
81 HA GLU 14 HA GLU 14 -2.685 4.010 3.266
82 HB2 GLU 14 1HB GLU 14 -4.421 4.390 0.824
83 HB3 GLU 14 2HB GLU 14 -5.053 4.063 2.432
84 HG2 GLU 14 1HG GLU 14 -3.771 6.135 3.174
85 HG3 GLU 14 2HG GLU 14 -3.599 6.495 1.457
86 H CYS 15 H CYS 15 -2.827 2.033 4.072
87 HA CYS 15 HA CYS 15 -2.424 -0.308 2.617
88 HB2 CYS 15 1HB CYS 15 -2.377 0.235 5.221
89 HB3 CYS 15 2HB CYS 15 -3.999 -0.447 5.145
90 H LYS 16 H LYS 16 -4.206 -2.198 3.121
91 HA LYS 16 HA LYS 16 -6.597 -1.300 1.664
92 HB2 LYS 16 1HB LYS 16 -5.089 -3.080 0.663
93 HB3 LYS 16 2HB LYS 16 -5.619 -4.140 1.963
94 HG2 LYS 16 1HG LYS 16 -6.967 -4.684 0.129
95 HG3 LYS 16 2HG LYS 16 -7.986 -3.687 1.170
96 HD2 LYS 16 1HD LYS 16 -7.289 -1.716 -0.255
97 HD3 LYS 16 2HD LYS 16 -6.587 -2.887 -1.374
98 HE2 LYS 16 1HE LYS 16 -8.642 -3.726 -1.993
99 HE3 LYS 16 2HE LYS 16 -9.415 -3.231 -0.488
100 HZ1 LYS 16 3HZ LYS 16 -10.256 -1.687 -1.913
101 HZ2 LYS 16 1HZ LYS 16 -8.888 -1.669 -2.908
102 HZ3 LYS 16 2HZ LYS 16 -8.863 -0.862 -1.422
103 H GLU 17 H GLU 17 -5.479 -2.832 4.575
104 HA GLU 17 HA GLU 17 -8.245 -3.384 5.395
105 HB2 GLU 17 1HB GLU 17 -6.880 -5.311 5.668
106 HB3 GLU 17 2HB GLU 17 -5.588 -4.380 6.412
107 HG2 GLU 17 1HG GLU 17 -6.861 -4.062 8.401
108 HG3 GLU 17 2HG GLU 17 -8.301 -4.750 7.653
109 H CYS 18 H CYS 18 -5.333 -2.497 7.234
110 HA CYS 18 HA CYS 18 -6.801 -0.969 9.119
111 HB2 CYS 18 1HB CYS 18 -4.658 -0.394 10.070
112 HB3 CYS 18 2HB CYS 18 -4.623 -2.089 9.594
113 H ARG 19 H ARG 19 -5.693 -0.272 5.999
114 HA ARG 19 HA ARG 19 -5.580 1.623 4.743
115 HB2 ARG 19 1HB ARG 19 -7.419 2.740 6.867
116 HB3 ARG 19 2HB ARG 19 -7.199 3.374 5.242
117 HG2 ARG 19 1HG ARG 19 -8.211 0.598 5.781
118 HG3 ARG 19 2HG ARG 19 -9.273 2.000 5.637
119 HD2 ARG 19 1HD ARG 19 -8.259 2.429 3.390
120 HD3 ARG 19 2HD ARG 19 -7.407 0.893 3.545
121 HE ARG 19 HE ARG 19 -10.150 0.466 3.963
122 HH11 ARG 19 1HH1 ARG 19 -7.925 1.303 1.420
123 HH12 ARG 19 2HH1 ARG 19 -8.895 0.607 0.164
124 HH21 ARG 19 1HH2 ARG 19 -11.436 -0.454 2.319
125 HH22 ARG 19 2HH2 ARG 19 -10.892 -0.391 0.676
126 H LYS 20 H LYS 20 -3.423 1.309 6.399
127 HA LYS 20 HA LYS 20 -2.919 3.799 7.794
128 HB2 LYS 20 1HB LYS 20 -2.102 1.577 8.626
129 HB3 LYS 20 2HB LYS 20 -1.006 1.522 7.251
130 HG2 LYS 20 1HG LYS 20 0.413 2.382 8.789
131 HG3 LYS 20 2HG LYS 20 -0.297 3.893 8.215
132 HD2 LYS 20 1HD LYS 20 -2.062 3.336 10.123
133 HD3 LYS 20 2HD LYS 20 -0.680 2.463 10.790
134 HE2 LYS 20 1HE LYS 20 -0.497 5.322 9.878
135 HE3 LYS 20 2HE LYS 20 -0.978 4.883 11.516
136 HZ1 LYS 20 3HZ LYS 20 1.305 5.231 11.646
137 HZ2 LYS 20 1HZ LYS 20 1.621 4.438 10.185
138 HZ3 LYS 20 2HZ LYS 20 1.171 3.547 11.550
139 H THR 21 H THR 21 -1.586 5.426 7.140
140 HA THR 21 HA THR 21 -0.834 5.411 4.314
141 HB THR 21 HB THR 21 -0.576 7.819 4.515
142 HG1 THR 21 HG1 THR 21 0.111 7.587 6.846
143 HG21 THR 21 3HG2 THR 21 -3.022 6.407 5.089
144 HG22 THR 21 1HG2 THR 21 -2.769 7.852 4.111
145 HG23 THR 21 2HG2 THR 21 -3.032 7.998 5.849
146 H PHE 22 H PHE 22 1.239 6.555 3.750
147 HA PHE 22 HA PHE 22 3.353 6.530 5.694
148 HB2 PHE 22 1HB PHE 22 3.487 4.527 3.432
149 HB3 PHE 22 2HB PHE 22 4.718 4.809 4.659
150 HD1 PHE 22 HD1 PHE 22 1.258 3.602 4.145
151 HD2 PHE 22 HD2 PHE 22 4.648 3.695 6.717
152 HE1 PHE 22 HE1 PHE 22 0.216 1.892 5.575
153 HE2 PHE 22 HE2 PHE 22 3.612 1.985 8.150
154 HZ PHE 22 HZ PHE 22 1.394 1.080 7.580
155 H ILE 23 H ILE 23 4.663 8.149 5.186
156 HA ILE 23 HA ILE 23 4.421 9.627 2.804
157 HB ILE 23 HB ILE 23 6.698 9.651 4.788
158 HG12 ILE 23 1HG1 ILE 23 4.445 11.635 4.672
159 HG13 ILE 23 2HG1 ILE 23 4.259 10.125 5.559
160 HG21 ILE 23 1HG2 ILE 23 7.116 11.920 3.932
161 HG22 ILE 23 2HG2 ILE 23 7.329 10.686 2.691
162 HG23 ILE 23 3HG2 ILE 23 5.868 11.673 2.711
163 HD11 ILE 23 3HD1 ILE 23 5.235 12.445 6.585
164 HD12 ILE 23 1HD1 ILE 23 5.520 10.838 7.253
165 HD13 ILE 23 2HD1 ILE 23 6.715 11.573 6.184
166 H GLN 24 H GLN 24 6.766 7.198 3.848
167 HA GLN 24 HA GLN 24 8.070 7.346 1.224
168 HB2 GLN 24 1HB GLN 24 8.918 6.338 3.910
169 HB3 GLN 24 2HB GLN 24 9.683 5.685 2.467
170 HG2 GLN 24 1HG GLN 24 10.566 7.771 1.858
171 HG3 GLN 24 2HG GLN 24 9.517 8.634 2.982
172 HE21 GLN 24 1HE2 GLN 24 12.508 8.412 2.608
173 HE22 GLN 24 2HE2 GLN 24 13.106 8.060 4.191
174 H ILE 25 H ILE 25 8.423 5.463 -0.016
175 HA ILE 25 HA ILE 25 6.242 3.619 0.030
176 HB ILE 25 HB ILE 25 7.254 4.354 -2.082
177 HG12 ILE 25 1HG1 ILE 25 7.742 1.891 -2.937
178 HG13 ILE 25 2HG1 ILE 25 7.130 1.463 -1.344
179 HG21 ILE 25 1HG2 ILE 25 9.429 4.050 -2.670
180 HG22 ILE 25 2HG2 ILE 25 9.633 4.142 -0.922
181 HG23 ILE 25 3HG2 ILE 25 9.595 2.572 -1.723
182 HD11 ILE 25 3HD1 ILE 25 5.555 1.656 -3.450
183 HD12 ILE 25 1HD1 ILE 25 5.011 2.109 -1.835
184 HD13 ILE 25 2HD1 ILE 25 5.533 3.353 -2.971
185 H GLY 26 H GLY 26 9.670 3.450 0.865
186 HA2 GLY 26 1HA GLY 26 9.960 0.710 1.195
187 HA3 GLY 26 2HA GLY 26 10.842 1.921 2.113
188 H HIS 27 H HIS 27 8.978 3.088 3.660
189 HA HIS 27 HA HIS 27 8.688 1.416 5.820
190 HB2 HIS 27 1HB HIS 27 8.256 4.009 5.499
191 HB3 HIS 27 2HB HIS 27 6.580 3.483 5.370
192 HD2 HIS 27 HD2 HIS 27 7.228 1.093 7.821
193 HE1 HIS 27 HE1 HIS 27 7.405 4.628 10.161
194 HE2 HIS 27 HE2 HIS 27 7.258 2.114 10.198
195 H LEU 28 H LEU 28 6.267 2.120 3.316
196 HA LEU 28 HA LEU 28 4.262 0.439 4.397
197 HB2 LEU 28 1HB LEU 28 3.658 2.187 2.881
198 HB3 LEU 28 2HB LEU 28 4.701 1.525 1.624
199 HG LEU 28 HG LEU 28 3.204 -0.430 1.453
200 HD11 LEU 28 1HD1 LEU 28 1.987 -0.834 3.292
201 HD12 LEU 28 2HD1 LEU 28 0.842 0.297 2.570
202 HD13 LEU 28 3HD1 LEU 28 1.986 0.858 3.790
203 HD21 LEU 28 3HD2 LEU 28 2.322 2.352 0.926
204 HD22 LEU 28 1HD2 LEU 28 1.136 1.064 0.715
205 HD23 LEU 28 2HD2 LEU 28 2.645 1.031 -0.198
206 H ASN 29 H ASN 29 6.601 -0.031 1.759
207 HA ASN 29 HA ASN 29 5.910 -2.503 0.844
208 HB2 ASN 29 1HB ASN 29 8.512 -1.090 1.151
209 HB3 ASN 29 2HB ASN 29 8.565 -2.807 0.760
210 HD21 ASN 29 1HD2 ASN 29 8.917 -0.022 -0.644
211 HD22 ASN 29 2HD2 ASN 29 8.167 -0.293 -2.176
212 H GLN 30 H GLN 30 7.265 -1.712 3.937
213 HA GLN 30 HA GLN 30 7.818 -4.505 4.561
214 HB2 GLN 30 1HB GLN 30 8.442 -1.885 5.839
215 HB3 GLN 30 2HB GLN 30 8.366 -3.310 6.867
216 HG2 GLN 30 1HG GLN 30 10.091 -3.081 4.413
217 HG3 GLN 30 2HG GLN 30 10.642 -2.754 6.056
218 HE21 GLN 30 1HE2 GLN 30 11.272 -4.842 3.942
219 HE22 GLN 30 2HE2 GLN 30 11.182 -6.339 4.799
220 H HIS 31 H HIS 31 5.578 -1.931 5.401
221 HA HIS 31 HA HIS 31 4.300 -3.292 7.537
222 HB2 HIS 31 1HB HIS 31 3.993 -0.955 7.487
223 HB3 HIS 31 2HB HIS 31 3.517 -0.967 5.792
224 HD1 HIS 31 HD1 HIS 31 2.110 -0.680 9.052
225 HD2 HIS 31 HD2 HIS 31 0.904 -2.451 5.493
226 HE1 HIS 31 HE1 HIS 31 -0.378 -0.979 9.259
227 H LYS 32 H LYS 32 4.052 -3.497 4.104
228 HA LYS 32 HA LYS 32 1.478 -4.852 4.188
229 HB2 LYS 32 1HB LYS 32 1.507 -4.776 1.817
230 HB3 LYS 32 2HB LYS 32 2.137 -3.227 2.362
231 HG2 LYS 32 1HG LYS 32 4.451 -4.255 2.061
232 HG3 LYS 32 2HG LYS 32 3.629 -5.534 1.163
233 HD2 LYS 32 1HD LYS 32 3.270 -2.621 0.507
234 HD3 LYS 32 2HD LYS 32 4.569 -3.591 -0.190
235 HE2 LYS 32 1HE LYS 32 1.636 -4.265 -0.374
236 HE3 LYS 32 2HE LYS 32 2.551 -3.433 -1.630
237 HZ1 LYS 32 3HZ LYS 32 2.553 -5.665 -2.259
238 HZ2 LYS 32 1HZ LYS 32 2.847 -6.219 -0.688
239 HZ3 LYS 32 2HZ LYS 32 4.075 -5.445 -1.555
240 H ARG 33 H ARG 33 4.049 -5.938 5.367
241 HA ARG 33 HA ARG 33 4.511 -8.312 3.750
242 HB2 ARG 33 1HB ARG 33 6.374 -8.732 5.095
243 HB3 ARG 33 2HB ARG 33 6.316 -6.976 5.019
244 HG2 ARG 33 1HG ARG 33 5.421 -6.823 7.210
245 HG3 ARG 33 2HG ARG 33 5.132 -8.562 7.280
246 HD2 ARG 33 1HD ARG 33 7.874 -7.365 6.963
247 HD3 ARG 33 2HD ARG 33 7.157 -7.714 8.535
248 HE ARG 33 HE ARG 33 7.242 -9.925 6.661
249 HH11 ARG 33 1HH1 ARG 33 8.754 -8.280 9.330
250 HH12 ARG 33 2HH1 ARG 33 9.676 -9.660 9.828
251 HH21 ARG 33 1HH2 ARG 33 8.450 -11.749 7.306
252 HH22 ARG 33 2HH2 ARG 33 9.503 -11.633 8.675
253 H VAL 34 H VAL 34 2.927 -7.359 6.720
254 HA VAL 34 HA VAL 34 2.339 -10.120 7.435
255 HB VAL 34 HB VAL 34 1.300 -9.219 9.437
256 HG11 VAL 34 1HG1 VAL 34 3.897 -9.336 9.023
257 HG12 VAL 34 2HG1 VAL 34 3.779 -7.586 9.215
258 HG13 VAL 34 3HG1 VAL 34 3.241 -8.654 10.511
259 HG21 VAL 34 3HG2 VAL 34 0.340 -7.215 9.380
260 HG22 VAL 34 1HG2 VAL 34 1.947 -6.488 9.365
261 HG23 VAL 34 2HG2 VAL 34 1.123 -6.837 7.846
262 H HIS 35 H HIS 35 0.846 -7.404 5.894
263 HA HIS 35 HA HIS 35 -1.857 -8.304 6.212
264 HB2 HIS 35 1HB HIS 35 -0.501 -6.155 4.629
265 HB3 HIS 35 2HB HIS 35 -2.156 -6.605 4.228
266 HD1 HIS 35 HD1 HIS 35 -3.977 -6.151 6.066
267 HD2 HIS 35 HD2 HIS 35 -0.203 -4.639 6.921
268 HE1 HIS 35 HE1 HIS 35 -4.316 -4.525 7.954
269 H THR 36 H THR 36 -0.511 -10.477 5.366
270 HA THR 36 HA THR 36 -1.507 -10.829 2.618
271 HB THR 36 HB THR 36 0.396 -12.440 2.248
272 HG1 THR 36 HG1 THR 36 1.061 -11.440 4.778
273 HG21 THR 36 3HG2 THR 36 2.133 -10.492 2.096
274 HG22 THR 36 1HG2 THR 36 0.760 -9.489 2.559
275 HG23 THR 36 2HG2 THR 36 0.686 -10.461 1.089
276 H GLY 37 H GLY 37 -3.403 -11.772 3.489
277 HA2 GLY 37 1HA GLY 37 -3.728 -14.416 3.489
278 HA3 GLY 37 2HA GLY 37 -3.125 -14.169 5.121
279 H GLU 38 H GLU 38 -5.288 -12.077 3.257
280 HA GLU 38 HA GLU 38 -7.034 -11.564 5.355
281 HB2 GLU 38 1HB GLU 38 -8.597 -10.742 3.655
282 HB3 GLU 38 2HB GLU 38 -6.957 -10.196 3.334
283 HG2 GLU 38 1HG GLU 38 -6.691 -11.719 1.553
284 HG3 GLU 38 2HG GLU 38 -8.146 -12.608 2.002
285 H ARG 39 H ARG 39 -9.528 -12.070 5.020
286 HA ARG 39 HA ARG 39 -10.050 -14.591 5.886
287 HB2 ARG 39 1HB ARG 39 -11.796 -12.785 4.213
288 HB3 ARG 39 2HB ARG 39 -12.381 -14.264 4.962
289 HG2 ARG 39 1HG ARG 39 -11.444 -13.208 7.148
290 HG3 ARG 39 2HG ARG 39 -11.544 -11.701 6.235
291 HD2 ARG 39 1HD ARG 39 -13.862 -11.856 6.005
292 HD3 ARG 39 2HD ARG 39 -13.876 -13.578 6.384
293 HE ARG 39 HE ARG 39 -14.031 -13.037 8.594
294 HH11 ARG 39 1HH1 ARG 39 -12.838 -10.271 6.849
295 HH12 ARG 39 2HH1 ARG 39 -12.893 -9.217 8.223
296 HH21 ARG 39 1HH2 ARG 39 -14.108 -11.659 10.410
297 HH22 ARG 39 2HH2 ARG 39 -13.615 -10.007 10.248
298 H SER 40 H SER 40 -10.452 -13.544 2.498
299 HA SER 40 HA SER 40 -10.523 -16.338 1.659
300 HB2 SER 40 1HB SER 40 -11.043 -13.750 0.187
301 HB3 SER 40 2HB SER 40 -11.036 -15.326 -0.604
302 HG SER 40 HG SER 40 -13.078 -15.256 -0.041
303 H SER 41 H SER 41 -8.410 -17.022 1.860
304 HA SER 41 HA SER 41 -6.207 -15.531 0.806
305 HB2 SER 41 1HB SER 41 -6.184 -17.278 2.711
306 HB3 SER 41 2HB SER 41 -6.135 -18.479 1.420
307 HG SER 41 HG SER 41 -4.131 -17.031 2.415
308 H GLY 42 H GLY 42 -5.012 -15.900 -1.050
309 HA2 GLY 42 1HA GLY 42 -6.223 -17.752 -3.007
310 HA3 GLY 42 2HA GLY 42 -5.742 -16.122 -3.454
311 HA PRO 43 HA PRO 43 -1.756 -18.799 -2.643
312 HB2 PRO 43 1HB PRO 43 -2.136 -21.470 -2.951
313 HB3 PRO 43 2HB PRO 43 -2.272 -20.654 -1.389
314 HG2 PRO 43 1HG PRO 43 -4.433 -21.494 -3.283
315 HG3 PRO 43 2HG PRO 43 -4.374 -21.641 -1.516
316 HD2 PRO 43 1HD PRO 43 -5.757 -19.679 -2.770
317 HD3 PRO 43 2HD PRO 43 -4.987 -19.443 -1.188
318 H SER 44 H SER 44 -4.208 -20.001 -4.903
319 HA SER 44 HA SER 44 -2.726 -21.064 -6.913
320 HB2 SER 44 1HB SER 44 -4.466 -20.272 -8.486
321 HB3 SER 44 2HB SER 44 -5.163 -20.937 -7.009
322 HG SER 44 HG SER 44 -6.110 -18.926 -7.666
323 H SER 45 H SER 45 -0.861 -20.337 -7.700
324 HA SER 45 HA SER 45 -0.789 -17.741 -8.990
325 HB2 SER 45 1HB SER 45 0.746 -18.383 -6.517
326 HB3 SER 45 2HB SER 45 1.568 -17.458 -7.773
327 HG SER 45 HG SER 45 0.588 -15.879 -6.728
328 H GLY 46 H GLY 46 1.194 -17.450 -10.291
329 HA2 GLY 46 1HA GLY 46 3.251 -19.075 -10.805
330 HA3 GLY 46 2HA GLY 46 1.926 -19.988 -11.512
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -25.239 19.011 9.162
2 HA2 GLY 1 1HA GLY 1 -25.764 18.785 6.625
3 HA3 GLY 1 2HA GLY 1 -25.538 20.528 6.664
4 H SER 2 H SER 2 -24.049 17.989 5.584
5 HA SER 2 HA SER 2 -21.385 19.035 6.239
6 HB2 SER 2 1HB SER 2 -21.864 16.965 7.583
7 HB3 SER 2 2HB SER 2 -22.007 16.079 6.065
8 HG SER 2 HG SER 2 -19.897 15.965 7.012
9 H SER 3 H SER 3 -20.315 19.552 4.459
10 HA SER 3 HA SER 3 -21.303 18.760 1.871
11 HB2 SER 3 1HB SER 3 -20.537 21.017 2.063
12 HB3 SER 3 2HB SER 3 -18.995 20.503 2.746
13 HG SER 3 HG SER 3 -18.528 19.525 0.722
14 H GLY 4 H GLY 4 -18.229 18.356 3.630
15 HA2 GLY 4 1HA GLY 4 -17.845 15.696 2.792
16 HA3 GLY 4 2HA GLY 4 -16.949 16.758 1.717
17 H SER 5 H SER 5 -14.938 17.249 2.285
18 HA SER 5 HA SER 5 -14.150 16.799 5.087
19 HB2 SER 5 1HB SER 5 -11.948 16.224 4.307
20 HB3 SER 5 2HB SER 5 -13.109 15.302 3.352
21 HG SER 5 HG SER 5 -11.412 16.343 2.119
22 H SER 6 H SER 6 -12.164 18.108 5.724
23 HA SER 6 HA SER 6 -12.319 20.824 4.597
24 HB2 SER 6 1HB SER 6 -12.196 21.782 6.813
25 HB3 SER 6 2HB SER 6 -13.542 20.644 6.774
26 HG SER 6 HG SER 6 -12.416 19.242 7.992
27 H GLY 7 H GLY 7 -10.399 18.532 6.506
28 HA2 GLY 7 1HA GLY 7 -8.002 19.998 6.534
29 HA3 GLY 7 2HA GLY 7 -8.130 18.255 6.713
30 H SER 8 H SER 8 -5.946 19.105 5.478
31 HA SER 8 HA SER 8 -6.437 19.025 2.594
32 HB2 SER 8 1HB SER 8 -4.191 19.943 4.320
33 HB3 SER 8 2HB SER 8 -3.781 19.325 2.720
34 HG SER 8 HG SER 8 -5.883 20.975 2.534
35 H GLY 9 H GLY 9 -6.673 17.007 1.852
36 HA2 GLY 9 1HA GLY 9 -5.785 14.650 2.975
37 HA3 GLY 9 2HA GLY 9 -6.100 14.862 1.259
38 H LYS 10 H LYS 10 -4.356 15.543 -0.112
39 HA LYS 10 HA LYS 10 -2.264 15.032 -0.921
40 HB2 LYS 10 1HB LYS 10 -1.545 16.624 1.547
41 HB3 LYS 10 2HB LYS 10 -0.504 16.371 0.152
42 HG2 LYS 10 1HG LYS 10 -3.186 17.706 -0.051
43 HG3 LYS 10 2HG LYS 10 -1.697 18.592 0.284
44 HD2 LYS 10 1HD LYS 10 -0.849 17.274 -1.842
45 HD3 LYS 10 2HD LYS 10 -2.576 17.213 -2.204
46 HE2 LYS 10 1HE LYS 10 -1.177 19.776 -1.495
47 HE3 LYS 10 2HE LYS 10 -1.246 19.174 -3.151
48 HZ1 LYS 10 3HZ LYS 10 -3.066 20.569 -3.012
49 HZ2 LYS 10 1HZ LYS 10 -3.451 20.106 -1.431
50 HZ3 LYS 10 2HZ LYS 10 -3.760 19.054 -2.719
51 H LYS 11 H LYS 11 -3.257 12.890 0.586
52 HA LYS 11 HA LYS 11 -1.180 11.994 2.387
53 HB2 LYS 11 1HB LYS 11 -3.660 10.636 1.320
54 HB3 LYS 11 2HB LYS 11 -2.556 9.899 2.474
55 HG2 LYS 11 1HG LYS 11 -3.091 11.492 4.141
56 HG3 LYS 11 2HG LYS 11 -3.952 12.511 2.986
57 HD2 LYS 11 1HD LYS 11 -5.742 10.998 2.822
58 HD3 LYS 11 2HD LYS 11 -4.815 9.691 3.561
59 HE2 LYS 11 1HE LYS 11 -6.089 10.301 5.350
60 HE3 LYS 11 2HE LYS 11 -4.725 11.392 5.586
61 HZ1 LYS 11 3HZ LYS 11 -7.026 12.269 3.976
62 HZ2 LYS 11 1HZ LYS 11 -5.929 13.196 4.871
63 HZ3 LYS 11 2HZ LYS 11 -7.129 12.306 5.664
64 HA PRO 12 HA PRO 12 1.335 9.972 -0.606
65 HB2 PRO 12 1HB PRO 12 2.526 8.133 0.998
66 HB3 PRO 12 2HB PRO 12 2.936 9.852 1.038
67 HG2 PRO 12 1HG PRO 12 1.141 8.290 2.854
68 HG3 PRO 12 2HG PRO 12 2.346 9.524 3.263
69 HD2 PRO 12 1HD PRO 12 -0.305 10.060 3.149
70 HD3 PRO 12 2HD PRO 12 0.931 11.263 2.731
71 H TYR 13 H TYR 13 0.996 7.178 1.419
72 HA TYR 13 HA TYR 13 -0.500 5.837 -0.733
73 HB2 TYR 13 1HB TYR 13 1.364 4.642 1.329
74 HB3 TYR 13 2HB TYR 13 0.514 3.743 0.076
75 HD1 TYR 13 HD2 TYR 13 3.237 6.113 0.755
76 HD2 TYR 13 HD1 TYR 13 1.263 3.794 -2.216
77 HE1 TYR 13 HE2 TYR 13 5.115 6.499 -0.785
78 HE2 TYR 13 HE1 TYR 13 3.137 4.171 -3.764
79 HH TYR 13 HH TYR 13 4.953 5.672 -4.125
80 H GLU 14 H GLU 14 -1.509 3.675 0.331
81 HA GLU 14 HA GLU 14 -2.744 4.178 2.896
82 HB2 GLU 14 1HB GLU 14 -5.057 3.993 1.993
83 HB3 GLU 14 2HB GLU 14 -4.230 5.466 1.508
84 HG2 GLU 14 1HG GLU 14 -5.196 4.836 -0.462
85 HG3 GLU 14 2HG GLU 14 -3.610 4.082 -0.612
86 H CYS 15 H CYS 15 -3.026 2.311 3.930
87 HA CYS 15 HA CYS 15 -2.325 -0.155 2.730
88 HB2 CYS 15 1HB CYS 15 -2.297 0.662 5.252
89 HB3 CYS 15 2HB CYS 15 -3.891 -0.087 5.272
90 H LYS 16 H LYS 16 -3.934 -2.108 3.335
91 HA LYS 16 HA LYS 16 -6.493 -1.453 2.028
92 HB2 LYS 16 1HB LYS 16 -4.829 -2.937 0.784
93 HB3 LYS 16 2HB LYS 16 -5.164 -4.159 2.003
94 HG2 LYS 16 1HG LYS 16 -7.401 -4.378 1.323
95 HG3 LYS 16 2HG LYS 16 -7.343 -2.890 0.376
96 HD2 LYS 16 1HD LYS 16 -5.537 -5.184 -0.290
97 HD3 LYS 16 2HD LYS 16 -7.214 -5.179 -0.840
98 HE2 LYS 16 1HE LYS 16 -6.873 -3.108 -2.016
99 HE3 LYS 16 2HE LYS 16 -5.248 -2.951 -1.351
100 HZ1 LYS 16 3HZ LYS 16 -4.558 -4.878 -2.579
101 HZ2 LYS 16 1HZ LYS 16 -5.274 -3.780 -3.649
102 HZ3 LYS 16 2HZ LYS 16 -6.130 -5.148 -3.143
103 H GLU 17 H GLU 17 -4.921 -3.080 4.676
104 HA GLU 17 HA GLU 17 -7.447 -4.191 5.630
105 HB2 GLU 17 1HB GLU 17 -5.648 -5.719 5.832
106 HB3 GLU 17 2HB GLU 17 -4.586 -4.498 6.516
107 HG2 GLU 17 1HG GLU 17 -5.171 -5.841 8.322
108 HG3 GLU 17 2HG GLU 17 -6.206 -4.423 8.478
109 H CYS 18 H CYS 18 -4.775 -2.468 7.244
110 HA CYS 18 HA CYS 18 -6.541 -1.407 9.238
111 HB2 CYS 18 1HB CYS 18 -4.568 -0.340 10.154
112 HB3 CYS 18 2HB CYS 18 -4.171 -1.994 9.702
113 H ARG 19 H ARG 19 -5.643 -0.456 6.113
114 HA ARG 19 HA ARG 19 -5.993 1.416 4.867
115 HB2 ARG 19 1HB ARG 19 -7.965 2.281 6.972
116 HB3 ARG 19 2HB ARG 19 -7.998 2.612 5.245
117 HG2 ARG 19 1HG ARG 19 -8.130 -0.220 6.125
118 HG3 ARG 19 2HG ARG 19 -9.557 0.795 6.345
119 HD2 ARG 19 1HD ARG 19 -8.095 0.573 3.725
120 HD3 ARG 19 2HD ARG 19 -9.419 -0.501 4.173
121 HE ARG 19 HE ARG 19 -10.075 2.286 4.397
122 HH11 ARG 19 1HH1 ARG 19 -9.905 -0.448 2.248
123 HH12 ARG 19 2HH1 ARG 19 -11.094 0.175 1.152
124 HH21 ARG 19 1HH2 ARG 19 -11.641 3.116 2.961
125 HH22 ARG 19 2HH2 ARG 19 -12.080 2.202 1.558
126 H LYS 20 H LYS 20 -3.761 1.660 6.302
127 HA LYS 20 HA LYS 20 -3.860 4.366 7.461
128 HB2 LYS 20 1HB LYS 20 -3.089 2.660 9.037
129 HB3 LYS 20 2HB LYS 20 -1.839 2.161 7.905
130 HG2 LYS 20 1HG LYS 20 -0.901 4.483 8.072
131 HG3 LYS 20 2HG LYS 20 -2.040 4.766 9.391
132 HD2 LYS 20 1HD LYS 20 -1.052 2.719 10.505
133 HD3 LYS 20 2HD LYS 20 0.219 2.777 9.281
134 HE2 LYS 20 1HE LYS 20 1.165 3.963 11.024
135 HE3 LYS 20 2HE LYS 20 0.473 5.248 10.034
136 HZ1 LYS 20 3HZ LYS 20 -0.339 5.858 12.041
137 HZ2 LYS 20 1HZ LYS 20 -0.341 4.286 12.665
138 HZ3 LYS 20 2HZ LYS 20 -1.573 4.781 11.618
139 H THR 21 H THR 21 -2.186 5.846 6.933
140 HA THR 21 HA THR 21 -1.158 5.457 4.227
141 HB THR 21 HB THR 21 -0.740 7.831 4.178
142 HG1 THR 21 HG1 THR 21 -0.590 9.002 5.957
143 HG21 THR 21 3HG2 THR 21 -2.925 8.565 4.112
144 HG22 THR 21 1HG2 THR 21 -3.371 7.708 5.588
145 HG23 THR 21 2HG2 THR 21 -3.158 6.817 4.080
146 H PHE 22 H PHE 22 1.049 6.208 3.725
147 HA PHE 22 HA PHE 22 2.930 5.969 5.960
148 HB2 PHE 22 1HB PHE 22 3.036 4.363 3.400
149 HB3 PHE 22 2HB PHE 22 4.375 4.490 4.537
150 HD1 PHE 22 HD1 PHE 22 0.778 3.537 4.397
151 HD2 PHE 22 HD2 PHE 22 4.574 2.933 6.225
152 HE1 PHE 22 HE1 PHE 22 -0.146 1.655 5.686
153 HE2 PHE 22 HE2 PHE 22 3.657 1.050 7.515
154 HZ PHE 22 HZ PHE 22 1.294 0.408 7.246
155 H ILE 23 H ILE 23 4.224 7.672 5.947
156 HA ILE 23 HA ILE 23 4.334 9.634 4.012
157 HB ILE 23 HB ILE 23 6.520 8.886 5.958
158 HG12 ILE 23 1HG1 ILE 23 4.545 11.121 6.304
159 HG13 ILE 23 2HG1 ILE 23 4.110 9.478 6.764
160 HG21 ILE 23 1HG2 ILE 23 6.300 11.684 5.233
161 HG22 ILE 23 2HG2 ILE 23 7.713 10.631 5.257
162 HG23 ILE 23 3HG2 ILE 23 6.659 10.660 3.843
163 HD11 ILE 23 3HD1 ILE 23 6.429 11.068 7.836
164 HD12 ILE 23 1HD1 ILE 23 4.914 10.727 8.672
165 HD13 ILE 23 2HD1 ILE 23 6.024 9.411 8.286
166 H GLN 24 H GLN 24 6.499 6.856 4.437
167 HA GLN 24 HA GLN 24 7.682 7.459 1.810
168 HB2 GLN 24 1HB GLN 24 8.783 5.810 4.091
169 HB3 GLN 24 2HB GLN 24 9.570 6.023 2.533
170 HG2 GLN 24 1HG GLN 24 9.618 8.476 2.978
171 HG3 GLN 24 2HG GLN 24 9.021 8.134 4.601
172 HE21 GLN 24 1HE2 GLN 24 11.127 9.342 4.968
173 HE22 GLN 24 2HE2 GLN 24 12.541 8.370 5.168
174 H ILE 25 H ILE 25 8.189 5.632 0.421
175 HA ILE 25 HA ILE 25 5.998 3.763 0.331
176 HB ILE 25 HB ILE 25 6.827 4.762 -1.739
177 HG12 ILE 25 1HG1 ILE 25 7.517 1.832 -1.831
178 HG13 ILE 25 2HG1 ILE 25 5.862 2.381 -1.590
179 HG21 ILE 25 1HG2 ILE 25 9.053 3.811 -2.611
180 HG22 ILE 25 2HG2 ILE 25 9.106 5.113 -1.424
181 HG23 ILE 25 3HG2 ILE 25 9.391 3.448 -0.919
182 HD11 ILE 25 3HD1 ILE 25 6.686 1.803 -3.967
183 HD12 ILE 25 1HD1 ILE 25 5.704 3.247 -3.719
184 HD13 ILE 25 2HD1 ILE 25 7.452 3.390 -3.903
185 H GLY 26 H GLY 26 9.153 3.778 1.622
186 HA2 GLY 26 1HA GLY 26 9.692 0.973 1.379
187 HA3 GLY 26 2HA GLY 26 10.548 2.114 2.405
188 H HIS 27 H HIS 27 8.526 3.040 4.024
189 HA HIS 27 HA HIS 27 8.364 1.031 5.973
190 HB2 HIS 27 1HB HIS 27 6.966 3.670 5.617
191 HB3 HIS 27 2HB HIS 27 6.575 2.612 6.970
192 HD2 HIS 27 HD2 HIS 27 10.118 3.776 5.610
193 HE1 HIS 27 HE1 HIS 27 9.885 4.436 9.795
194 HE2 HIS 27 HE2 HIS 27 11.304 4.673 7.727
195 H LEU 28 H LEU 28 6.384 1.704 3.246
196 HA LEU 28 HA LEU 28 4.150 0.135 4.276
197 HB2 LEU 28 1HB LEU 28 3.418 2.042 3.134
198 HB3 LEU 28 2HB LEU 28 4.579 1.811 1.828
199 HG LEU 28 HG LEU 28 3.252 -0.217 1.149
200 HD11 LEU 28 1HD1 LEU 28 0.985 0.902 2.731
201 HD12 LEU 28 2HD1 LEU 28 2.112 -0.217 3.498
202 HD13 LEU 28 3HD1 LEU 28 1.208 -0.718 2.069
203 HD21 LEU 28 3HD2 LEU 28 3.078 1.935 -0.010
204 HD22 LEU 28 1HD2 LEU 28 1.811 2.433 1.112
205 HD23 LEU 28 2HD2 LEU 28 1.534 1.081 0.015
206 H ASN 29 H ASN 29 6.630 0.021 1.768
207 HA ASN 29 HA ASN 29 5.853 -2.158 0.298
208 HB2 ASN 29 1HB ASN 29 8.495 -1.014 1.056
209 HB3 ASN 29 2HB ASN 29 8.487 -2.621 0.335
210 HD21 ASN 29 1HD2 ASN 29 9.372 0.099 -0.599
211 HD22 ASN 29 2HD2 ASN 29 8.628 0.281 -2.148
212 H GLN 30 H GLN 30 7.128 -2.093 3.545
213 HA GLN 30 HA GLN 30 7.311 -5.009 3.621
214 HB2 GLN 30 1HB GLN 30 8.088 -2.900 5.640
215 HB3 GLN 30 2HB GLN 30 8.257 -4.631 5.902
216 HG2 GLN 30 1HG GLN 30 9.723 -4.700 3.873
217 HG3 GLN 30 2HG GLN 30 9.679 -2.938 3.867
218 HE21 GLN 30 1HE2 GLN 30 12.074 -3.564 4.020
219 HE22 GLN 30 2HE2 GLN 30 12.731 -3.620 5.617
220 H HIS 31 H HIS 31 5.741 -2.364 5.413
221 HA HIS 31 HA HIS 31 4.236 -3.820 7.193
222 HB2 HIS 31 1HB HIS 31 4.304 -1.401 7.279
223 HB3 HIS 31 2HB HIS 31 3.478 -1.286 5.728
224 HD1 HIS 31 HD1 HIS 31 2.873 -1.548 9.335
225 HD2 HIS 31 HD2 HIS 31 0.704 -2.090 5.833
226 HE1 HIS 31 HE1 HIS 31 0.457 -1.561 10.035
227 H LYS 32 H LYS 32 3.647 -3.264 3.780
228 HA LYS 32 HA LYS 32 0.993 -4.168 3.651
229 HB2 LYS 32 1HB LYS 32 1.421 -4.512 1.255
230 HB3 LYS 32 2HB LYS 32 2.046 -2.965 1.810
231 HG2 LYS 32 1HG LYS 32 4.286 -4.213 2.068
232 HG3 LYS 32 2HG LYS 32 3.545 -5.432 1.027
233 HD2 LYS 32 1HD LYS 32 3.867 -2.504 0.367
234 HD3 LYS 32 2HD LYS 32 4.857 -3.820 -0.268
235 HE2 LYS 32 1HE LYS 32 3.354 -3.582 -1.977
236 HE3 LYS 32 2HE LYS 32 2.520 -4.784 -0.994
237 HZ1 LYS 32 3HZ LYS 32 2.010 -1.858 -0.952
238 HZ2 LYS 32 1HZ LYS 32 1.214 -3.008 -0.000
239 HZ3 LYS 32 2HZ LYS 32 1.023 -3.023 -1.680
240 H ARG 33 H ARG 33 4.060 -5.912 3.246
241 HA ARG 33 HA ARG 33 2.806 -8.437 2.790
242 HB2 ARG 33 1HB ARG 33 5.047 -9.365 2.947
243 HB3 ARG 33 2HB ARG 33 5.068 -7.909 1.962
244 HG2 ARG 33 1HG ARG 33 6.292 -6.730 3.477
245 HG3 ARG 33 2HG ARG 33 5.660 -7.633 4.855
246 HD2 ARG 33 1HD ARG 33 7.643 -8.656 2.825
247 HD3 ARG 33 2HD ARG 33 8.022 -8.130 4.464
248 HE ARG 33 HE ARG 33 6.067 -10.241 4.315
249 HH11 ARG 33 1HH1 ARG 33 9.451 -9.450 4.509
250 HH12 ARG 33 2HH1 ARG 33 9.904 -10.979 5.187
251 HH21 ARG 33 1HH2 ARG 33 6.650 -12.258 5.207
252 HH22 ARG 33 2HH2 ARG 33 8.309 -12.576 5.583
253 H VAL 34 H VAL 34 3.786 -6.651 5.596
254 HA VAL 34 HA VAL 34 4.048 -8.716 7.464
255 HB VAL 34 HB VAL 34 3.069 -5.886 7.856
256 HG11 VAL 34 1HG1 VAL 34 4.258 -7.026 10.194
257 HG12 VAL 34 2HG1 VAL 34 2.645 -6.340 9.988
258 HG13 VAL 34 3HG1 VAL 34 2.927 -8.049 9.655
259 HG21 VAL 34 3HG2 VAL 34 5.503 -5.929 8.950
260 HG22 VAL 34 1HG2 VAL 34 5.726 -7.186 7.732
261 HG23 VAL 34 2HG2 VAL 34 5.233 -5.564 7.246
262 H HIS 35 H HIS 35 1.186 -6.923 6.395
263 HA HIS 35 HA HIS 35 -0.675 -7.920 8.197
264 HB2 HIS 35 1HB HIS 35 -0.822 -6.837 5.424
265 HB3 HIS 35 2HB HIS 35 -2.246 -7.650 6.066
266 HD1 HIS 35 HD1 HIS 35 -2.370 -6.652 8.896
267 HD2 HIS 35 HD2 HIS 35 -1.359 -4.203 5.696
268 HE1 HIS 35 HE1 HIS 35 -2.873 -4.309 9.658
269 H THR 36 H THR 36 0.440 -9.293 5.131
270 HA THR 36 HA THR 36 -1.221 -11.341 4.637
271 HB THR 36 HB THR 36 1.787 -11.655 4.710
272 HG1 THR 36 HG1 THR 36 0.316 -11.023 2.395
273 HG21 THR 36 3HG2 THR 36 -0.068 -13.604 4.268
274 HG22 THR 36 1HG2 THR 36 1.564 -13.602 3.602
275 HG23 THR 36 2HG2 THR 36 0.216 -13.007 2.633
276 H GLY 37 H GLY 37 -1.728 -13.349 5.422
277 HA2 GLY 37 1HA GLY 37 -1.051 -15.259 6.829
278 HA3 GLY 37 2HA GLY 37 -0.505 -14.080 8.012
279 H GLU 38 H GLU 38 -2.145 -15.978 8.917
280 HA GLU 38 HA GLU 38 -4.865 -14.897 8.890
281 HB2 GLU 38 1HB GLU 38 -5.470 -16.994 10.062
282 HB3 GLU 38 2HB GLU 38 -4.704 -17.278 8.505
283 HG2 GLU 38 1HG GLU 38 -2.567 -17.689 9.681
284 HG3 GLU 38 2HG GLU 38 -3.420 -17.526 11.215
285 H ARG 39 H ARG 39 -5.573 -13.644 10.478
286 HA ARG 39 HA ARG 39 -4.260 -13.819 13.108
287 HB2 ARG 39 1HB ARG 39 -3.778 -11.742 11.575
288 HB3 ARG 39 2HB ARG 39 -5.370 -11.224 12.112
289 HG2 ARG 39 1HG ARG 39 -4.694 -10.944 14.293
290 HG3 ARG 39 2HG ARG 39 -3.343 -12.067 14.129
291 HD2 ARG 39 1HD ARG 39 -2.353 -10.360 12.508
292 HD3 ARG 39 2HD ARG 39 -3.565 -9.242 13.132
293 HE ARG 39 HE ARG 39 -2.391 -9.106 15.112
294 HH11 ARG 39 1HH1 ARG 39 -1.099 -11.661 13.132
295 HH12 ARG 39 2HH1 ARG 39 0.310 -11.887 14.115
296 HH21 ARG 39 1HH2 ARG 39 -0.541 -9.394 16.414
297 HH22 ARG 39 2HH2 ARG 39 0.626 -10.597 15.982
298 H SER 40 H SER 40 -5.803 -14.943 14.189
299 HA SER 40 HA SER 40 -8.437 -13.653 14.422
300 HB2 SER 40 1HB SER 40 -8.849 -15.571 13.058
301 HB3 SER 40 2HB SER 40 -7.852 -16.599 14.086
302 HG SER 40 HG SER 40 -10.417 -16.275 14.266
303 H SER 41 H SER 41 -6.546 -16.300 15.893
304 HA SER 41 HA SER 41 -7.506 -15.490 18.527
305 HB2 SER 41 1HB SER 41 -7.413 -17.927 17.666
306 HB3 SER 41 2HB SER 41 -5.682 -17.824 17.987
307 HG SER 41 HG SER 41 -7.587 -18.361 19.707
308 H GLY 42 H GLY 42 -5.870 -15.567 20.344
309 HA2 GLY 42 1HA GLY 42 -3.247 -14.538 19.482
310 HA3 GLY 42 2HA GLY 42 -4.209 -13.628 20.637
311 HA PRO 43 HA PRO 43 -2.681 -17.747 22.737
312 HB2 PRO 43 1HB PRO 43 -0.450 -18.806 21.609
313 HB3 PRO 43 2HB PRO 43 -2.085 -19.291 21.143
314 HG2 PRO 43 1HG PRO 43 -0.221 -17.375 19.796
315 HG3 PRO 43 2HG PRO 43 -1.255 -18.623 19.076
316 HD2 PRO 43 1HD PRO 43 -1.937 -16.002 19.103
317 HD3 PRO 43 2HD PRO 43 -3.141 -17.303 19.192
318 H SER 44 H SER 44 -1.052 -15.007 21.665
319 HA SER 44 HA SER 44 1.091 -15.295 23.652
320 HB2 SER 44 1HB SER 44 1.626 -14.651 21.249
321 HB3 SER 44 2HB SER 44 0.837 -13.109 21.583
322 HG SER 44 HG SER 44 2.958 -12.788 22.030
323 H SER 45 H SER 45 1.611 -13.406 24.984
324 HA SER 45 HA SER 45 0.959 -12.020 26.680
325 HB2 SER 45 1HB SER 45 -0.151 -9.967 25.939
326 HB3 SER 45 2HB SER 45 1.085 -10.450 24.778
327 HG SER 45 HG SER 45 -1.542 -11.343 24.403
328 H GLY 46 H GLY 46 -0.470 -14.331 26.810
329 HA2 GLY 46 1HA GLY 46 -3.293 -13.619 27.081
330 HA3 GLY 46 2HA GLY 46 -2.613 -15.235 27.205
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -21.135 20.577 -12.374
2 HA2 GLY 1 1HA GLY 1 -19.229 22.424 -12.934
3 HA3 GLY 1 2HA GLY 1 -20.637 23.412 -12.576
4 H SER 2 H SER 2 -18.004 21.747 -11.285
5 HA SER 2 HA SER 2 -19.083 22.090 -8.564
6 HB2 SER 2 1HB SER 2 -17.207 19.934 -9.561
7 HB3 SER 2 2HB SER 2 -17.631 20.190 -7.868
8 HG SER 2 HG SER 2 -18.932 18.582 -8.854
9 H SER 3 H SER 3 -17.916 23.308 -7.208
10 HA SER 3 HA SER 3 -15.448 24.486 -8.216
11 HB2 SER 3 1HB SER 3 -17.337 25.870 -7.234
12 HB3 SER 3 2HB SER 3 -16.903 25.194 -5.664
13 HG SER 3 HG SER 3 -15.511 27.001 -7.279
14 H GLY 4 H GLY 4 -13.541 24.649 -6.901
15 HA2 GLY 4 1HA GLY 4 -12.904 22.177 -5.603
16 HA3 GLY 4 2HA GLY 4 -11.839 23.563 -5.784
17 H SER 5 H SER 5 -14.448 22.197 -3.849
18 HA SER 5 HA SER 5 -13.976 24.158 -1.740
19 HB2 SER 5 1HB SER 5 -15.960 23.277 -0.688
20 HB3 SER 5 2HB SER 5 -16.308 23.505 -2.402
21 HG SER 5 HG SER 5 -15.508 21.040 -1.248
22 H SER 6 H SER 6 -11.803 22.502 -2.211
23 HA SER 6 HA SER 6 -11.734 20.956 0.289
24 HB2 SER 6 1HB SER 6 -10.362 19.233 -0.815
25 HB3 SER 6 2HB SER 6 -11.950 19.367 -1.570
26 HG SER 6 HG SER 6 -9.674 19.481 -2.787
27 H GLY 7 H GLY 7 -9.929 21.206 1.509
28 HA2 GLY 7 1HA GLY 7 -8.275 23.432 1.113
29 HA3 GLY 7 2HA GLY 7 -7.966 22.131 2.254
30 H SER 8 H SER 8 -5.705 22.699 1.632
31 HA SER 8 HA SER 8 -4.921 21.395 -0.889
32 HB2 SER 8 1HB SER 8 -3.332 23.373 0.764
33 HB3 SER 8 2HB SER 8 -2.878 22.719 -0.810
34 HG SER 8 HG SER 8 -4.079 24.902 -0.528
35 H GLY 9 H GLY 9 -4.950 19.285 -0.019
36 HA2 GLY 9 1HA GLY 9 -2.508 18.620 1.418
37 HA3 GLY 9 2HA GLY 9 -4.009 18.208 2.233
38 H LYS 10 H LYS 10 -1.679 16.726 0.784
39 HA LYS 10 HA LYS 10 -3.449 14.777 -0.516
40 HB2 LYS 10 1HB LYS 10 -0.842 15.842 -1.606
41 HB3 LYS 10 2HB LYS 10 -1.615 14.379 -2.202
42 HG2 LYS 10 1HG LYS 10 -2.416 15.880 -3.708
43 HG3 LYS 10 2HG LYS 10 -3.679 15.995 -2.480
44 HD2 LYS 10 1HD LYS 10 -3.133 18.221 -3.020
45 HD3 LYS 10 2HD LYS 10 -2.321 17.904 -1.485
46 HE2 LYS 10 1HE LYS 10 -0.748 19.031 -2.842
47 HE3 LYS 10 2HE LYS 10 -0.264 17.336 -2.836
48 HZ1 LYS 10 3HZ LYS 10 -1.936 18.500 -4.984
49 HZ2 LYS 10 1HZ LYS 10 -1.097 17.031 -4.996
50 HZ3 LYS 10 2HZ LYS 10 -0.246 18.491 -5.055
51 H LYS 11 H LYS 11 -3.331 13.016 0.707
52 HA LYS 11 HA LYS 11 -1.084 12.420 2.367
53 HB2 LYS 11 1HB LYS 11 -3.646 11.000 1.701
54 HB3 LYS 11 2HB LYS 11 -2.388 10.189 2.626
55 HG2 LYS 11 1HG LYS 11 -2.668 11.539 4.456
56 HG3 LYS 11 2HG LYS 11 -3.312 12.880 3.505
57 HD2 LYS 11 1HD LYS 11 -4.877 10.353 3.601
58 HD3 LYS 11 2HD LYS 11 -4.866 11.377 5.039
59 HE2 LYS 11 1HE LYS 11 -6.723 12.094 3.796
60 HE3 LYS 11 2HE LYS 11 -5.473 13.295 3.478
61 HZ1 LYS 11 3HZ LYS 11 -5.342 12.712 1.328
62 HZ2 LYS 11 1HZ LYS 11 -6.895 12.088 1.574
63 HZ3 LYS 11 2HZ LYS 11 -5.552 11.062 1.632
64 HA PRO 12 HA PRO 12 1.392 9.927 -0.262
65 HB2 PRO 12 1HB PRO 12 2.274 8.014 1.451
66 HB3 PRO 12 2HB PRO 12 2.841 9.687 1.505
67 HG2 PRO 12 1HG PRO 12 0.769 8.333 3.189
68 HG3 PRO 12 2HG PRO 12 2.051 9.456 3.680
69 HD2 PRO 12 1HD PRO 12 -0.521 10.236 3.349
70 HD3 PRO 12 2HD PRO 12 0.853 11.311 3.019
71 H TYR 13 H TYR 13 0.627 7.217 1.762
72 HA TYR 13 HA TYR 13 -0.949 6.039 -0.434
73 HB2 TYR 13 1HB TYR 13 1.011 4.693 1.434
74 HB3 TYR 13 2HB TYR 13 -0.037 3.834 0.311
75 HD1 TYR 13 HD2 TYR 13 2.798 6.192 0.551
76 HD2 TYR 13 HD1 TYR 13 0.511 3.666 -1.996
77 HE1 TYR 13 HE2 TYR 13 4.492 6.448 -1.213
78 HE2 TYR 13 HE1 TYR 13 2.200 3.914 -3.768
79 HH TYR 13 HH TYR 13 5.185 4.848 -3.343
80 H GLU 14 H GLU 14 -2.247 4.075 0.398
81 HA GLU 14 HA GLU 14 -3.205 4.345 3.121
82 HB2 GLU 14 1HB GLU 14 -5.038 4.793 0.759
83 HB3 GLU 14 2HB GLU 14 -5.562 4.620 2.428
84 HG2 GLU 14 1HG GLU 14 -4.350 6.638 3.035
85 HG3 GLU 14 2HG GLU 14 -3.780 6.806 1.376
86 H CYS 15 H CYS 15 -3.094 2.307 3.787
87 HA CYS 15 HA CYS 15 -3.180 0.048 2.115
88 HB2 CYS 15 1HB CYS 15 -2.321 0.398 4.598
89 HB3 CYS 15 2HB CYS 15 -3.932 -0.190 4.996
90 H LYS 16 H LYS 16 -4.775 -1.405 1.620
91 HA LYS 16 HA LYS 16 -7.503 -0.434 1.912
92 HB2 LYS 16 1HB LYS 16 -6.377 -1.395 -0.244
93 HB3 LYS 16 2HB LYS 16 -6.762 -2.956 0.470
94 HG2 LYS 16 1HG LYS 16 -8.635 -2.651 -0.769
95 HG3 LYS 16 2HG LYS 16 -9.151 -1.842 0.714
96 HD2 LYS 16 1HD LYS 16 -7.766 -0.302 -1.449
97 HD3 LYS 16 2HD LYS 16 -9.491 -0.656 -1.570
98 HE2 LYS 16 1HE LYS 16 -9.602 1.342 -0.481
99 HE3 LYS 16 2HE LYS 16 -9.476 0.268 0.912
100 HZ1 LYS 16 3HZ LYS 16 -7.824 1.686 1.445
101 HZ2 LYS 16 1HZ LYS 16 -7.540 2.159 -0.155
102 HZ3 LYS 16 2HZ LYS 16 -6.911 0.698 0.419
103 H GLU 17 H GLU 17 -5.721 -1.898 4.010
104 HA GLU 17 HA GLU 17 -7.815 -3.802 4.829
105 HB2 GLU 17 1HB GLU 17 -6.006 -5.189 4.249
106 HB3 GLU 17 2HB GLU 17 -4.824 -4.085 4.938
107 HG2 GLU 17 1HG GLU 17 -4.924 -5.897 6.415
108 HG3 GLU 17 2HG GLU 17 -5.846 -4.610 7.191
109 H CYS 18 H CYS 18 -4.911 -2.316 6.274
110 HA CYS 18 HA CYS 18 -6.362 -1.894 8.755
111 HB2 CYS 18 1HB CYS 18 -4.227 -1.298 9.706
112 HB3 CYS 18 2HB CYS 18 -4.019 -2.753 8.738
113 H ARG 19 H ARG 19 -5.846 -0.197 5.919
114 HA ARG 19 HA ARG 19 -6.162 1.961 5.274
115 HB2 ARG 19 1HB ARG 19 -7.736 1.916 7.845
116 HB3 ARG 19 2HB ARG 19 -7.681 3.329 6.800
117 HG2 ARG 19 1HG ARG 19 -9.583 2.339 6.037
118 HG3 ARG 19 2HG ARG 19 -8.400 1.589 4.964
119 HD2 ARG 19 1HD ARG 19 -8.427 -0.426 6.157
120 HD3 ARG 19 2HD ARG 19 -9.178 0.319 7.567
121 HE ARG 19 HE ARG 19 -10.791 0.351 5.172
122 HH11 ARG 19 1HH1 ARG 19 -9.947 -1.366 8.080
123 HH12 ARG 19 2HH1 ARG 19 -11.427 -2.265 8.135
124 HH21 ARG 19 1HH2 ARG 19 -12.744 -0.827 5.232
125 HH22 ARG 19 2HH2 ARG 19 -13.016 -1.959 6.514
126 H LYS 20 H LYS 20 -3.720 1.431 6.520
127 HA LYS 20 HA LYS 20 -3.225 3.826 8.150
128 HB2 LYS 20 1HB LYS 20 -2.560 1.439 8.910
129 HB3 LYS 20 2HB LYS 20 -1.253 1.595 7.744
130 HG2 LYS 20 1HG LYS 20 -0.395 3.531 8.903
131 HG3 LYS 20 2HG LYS 20 -1.756 3.493 10.027
132 HD2 LYS 20 1HD LYS 20 -0.997 1.539 11.062
133 HD3 LYS 20 2HD LYS 20 0.067 1.130 9.714
134 HE2 LYS 20 1HE LYS 20 1.589 1.912 11.243
135 HE3 LYS 20 2HE LYS 20 1.230 3.390 10.352
136 HZ1 LYS 20 3HZ LYS 20 -0.265 2.675 12.797
137 HZ2 LYS 20 1HZ LYS 20 -0.093 4.193 12.068
138 HZ3 LYS 20 2HZ LYS 20 1.214 3.493 12.883
139 H THR 21 H THR 21 -2.109 5.480 7.339
140 HA THR 21 HA THR 21 -1.178 5.362 4.611
141 HB THR 21 HB THR 21 -0.681 7.752 4.875
142 HG1 THR 21 HG1 THR 21 -0.297 7.279 7.325
143 HG21 THR 21 3HG2 THR 21 -3.087 6.718 4.596
144 HG22 THR 21 1HG2 THR 21 -2.873 8.451 4.838
145 HG23 THR 21 2HG2 THR 21 -3.337 7.422 6.193
146 H PHE 22 H PHE 22 0.967 6.131 3.975
147 HA PHE 22 HA PHE 22 3.054 5.722 5.991
148 HB2 PHE 22 1HB PHE 22 2.895 4.316 3.321
149 HB3 PHE 22 2HB PHE 22 4.349 4.371 4.312
150 HD1 PHE 22 HD1 PHE 22 0.750 3.432 4.539
151 HD2 PHE 22 HD2 PHE 22 4.741 2.662 5.801
152 HE1 PHE 22 HE1 PHE 22 -0.027 1.452 5.776
153 HE2 PHE 22 HE2 PHE 22 3.971 0.681 7.040
154 HZ PHE 22 HZ PHE 22 1.585 0.073 7.028
155 H ILE 23 H ILE 23 4.172 7.551 6.018
156 HA ILE 23 HA ILE 23 4.152 9.571 4.149
157 HB ILE 23 HB ILE 23 6.434 8.862 5.997
158 HG12 ILE 23 1HG1 ILE 23 4.277 9.165 7.156
159 HG13 ILE 23 2HG1 ILE 23 5.413 10.453 7.544
160 HG21 ILE 23 1HG2 ILE 23 6.482 11.559 5.751
161 HG22 ILE 23 2HG2 ILE 23 7.481 10.455 4.807
162 HG23 ILE 23 3HG2 ILE 23 5.978 11.082 4.130
163 HD11 ILE 23 3HD1 ILE 23 2.826 10.562 6.183
164 HD12 ILE 23 1HD1 ILE 23 3.669 11.786 7.132
165 HD13 ILE 23 2HD1 ILE 23 4.097 11.534 5.440
166 H GLN 24 H GLN 24 6.282 6.767 4.324
167 HA GLN 24 HA GLN 24 7.378 7.524 1.695
168 HB2 GLN 24 1HB GLN 24 8.674 6.318 4.101
169 HB3 GLN 24 2HB GLN 24 9.276 5.878 2.509
170 HG2 GLN 24 1HG GLN 24 9.427 8.395 2.078
171 HG3 GLN 24 2HG GLN 24 9.247 8.567 3.823
172 HE21 GLN 24 1HE2 GLN 24 11.475 9.539 2.734
173 HE22 GLN 24 2HE2 GLN 24 12.838 8.543 3.101
174 H ILE 25 H ILE 25 7.878 5.772 0.242
175 HA ILE 25 HA ILE 25 5.818 3.803 0.175
176 HB ILE 25 HB ILE 25 6.655 4.715 -1.900
177 HG12 ILE 25 1HG1 ILE 25 7.232 2.563 -3.087
178 HG13 ILE 25 2HG1 ILE 25 7.294 1.786 -1.509
179 HG21 ILE 25 1HG2 ILE 25 8.823 4.865 -2.504
180 HG22 ILE 25 2HG2 ILE 25 9.096 4.719 -0.768
181 HG23 ILE 25 3HG2 ILE 25 9.237 3.299 -1.805
182 HD11 ILE 25 3HD1 ILE 25 4.962 2.769 -3.054
183 HD12 ILE 25 1HD1 ILE 25 5.164 1.285 -2.124
184 HD13 ILE 25 2HD1 ILE 25 4.881 2.815 -1.293
185 H GLY 26 H GLY 26 9.280 3.737 0.893
186 HA2 GLY 26 1HA GLY 26 9.726 1.006 0.973
187 HA3 GLY 26 2HA GLY 26 10.557 2.174 1.989
188 H HIS 27 H HIS 27 8.674 3.078 3.675
189 HA HIS 27 HA HIS 27 8.494 1.117 5.625
190 HB2 HIS 27 1HB HIS 27 7.038 3.707 5.195
191 HB3 HIS 27 2HB HIS 27 6.611 2.662 6.546
192 HD2 HIS 27 HD2 HIS 27 9.772 1.870 7.329
193 HE1 HIS 27 HE1 HIS 27 10.089 6.052 7.970
194 HE2 HIS 27 HE2 HIS 27 11.159 3.803 8.345
195 H LEU 28 H LEU 28 6.206 1.990 3.101
196 HA LEU 28 HA LEU 28 4.109 0.304 4.090
197 HB2 LEU 28 1HB LEU 28 3.546 2.233 2.774
198 HB3 LEU 28 2HB LEU 28 4.537 1.660 1.434
199 HG LEU 28 HG LEU 28 2.976 -0.184 1.062
200 HD11 LEU 28 1HD1 LEU 28 2.038 -0.739 3.096
201 HD12 LEU 28 2HD1 LEU 28 0.712 0.107 2.299
202 HD13 LEU 28 3HD1 LEU 28 1.685 0.939 3.511
203 HD21 LEU 28 3HD2 LEU 28 2.532 1.727 -0.239
204 HD22 LEU 28 1HD2 LEU 28 1.848 2.601 1.132
205 HD23 LEU 28 2HD2 LEU 28 0.973 1.241 0.429
206 H ASN 29 H ASN 29 6.610 0.039 1.609
207 HA ASN 29 HA ASN 29 5.843 -2.264 0.316
208 HB2 ASN 29 1HB ASN 29 8.533 -1.117 0.989
209 HB3 ASN 29 2HB ASN 29 8.420 -2.679 0.182
210 HD21 ASN 29 1HD2 ASN 29 9.366 0.060 -0.642
211 HD22 ASN 29 2HD2 ASN 29 8.554 0.357 -2.138
212 H GLN 30 H GLN 30 7.756 -2.011 3.302
213 HA GLN 30 HA GLN 30 7.946 -4.832 3.669
214 HB2 GLN 30 1HB GLN 30 8.377 -2.553 5.608
215 HB3 GLN 30 2HB GLN 30 8.775 -4.235 5.936
216 HG2 GLN 30 1HG GLN 30 10.563 -4.239 4.501
217 HG3 GLN 30 2HG GLN 30 9.918 -2.923 3.522
218 HE21 GLN 30 1HE2 GLN 30 12.480 -3.511 5.143
219 HE22 GLN 30 2HE2 GLN 30 12.753 -2.028 5.987
220 H HIS 31 H HIS 31 5.753 -2.329 4.790
221 HA HIS 31 HA HIS 31 4.438 -3.600 6.845
222 HB2 HIS 31 1HB HIS 31 3.938 -1.306 6.268
223 HB3 HIS 31 2HB HIS 31 3.297 -1.796 4.703
224 HD1 HIS 31 HD1 HIS 31 2.500 -2.130 8.392
225 HD2 HIS 31 HD2 HIS 31 0.627 -2.358 4.690
226 HE1 HIS 31 HE1 HIS 31 0.045 -2.350 8.893
227 H LYS 32 H LYS 32 3.687 -3.805 3.373
228 HA LYS 32 HA LYS 32 1.485 -5.399 3.368
229 HB2 LYS 32 1HB LYS 32 3.847 -5.221 1.548
230 HB3 LYS 32 2HB LYS 32 2.674 -6.504 1.280
231 HG2 LYS 32 1HG LYS 32 1.021 -5.054 0.656
232 HG3 LYS 32 2HG LYS 32 1.684 -3.718 1.599
233 HD2 LYS 32 1HD LYS 32 3.372 -3.299 -0.003
234 HD3 LYS 32 2HD LYS 32 3.070 -4.830 -0.829
235 HE2 LYS 32 1HE LYS 32 0.765 -3.952 -1.356
236 HE3 LYS 32 2HE LYS 32 1.312 -2.385 -0.761
237 HZ1 LYS 32 3HZ LYS 32 1.474 -2.786 -3.237
238 HZ2 LYS 32 1HZ LYS 32 2.753 -3.840 -2.896
239 HZ3 LYS 32 2HZ LYS 32 2.871 -2.205 -2.479
240 H ARG 33 H ARG 33 4.642 -6.255 4.437
241 HA ARG 33 HA ARG 33 4.348 -9.089 4.203
242 HB2 ARG 33 1HB ARG 33 6.221 -7.495 5.962
243 HB3 ARG 33 2HB ARG 33 6.364 -9.206 5.583
244 HG2 ARG 33 1HG ARG 33 6.488 -8.448 3.134
245 HG3 ARG 33 2HG ARG 33 6.805 -6.844 3.799
246 HD2 ARG 33 1HD ARG 33 8.382 -9.204 4.741
247 HD3 ARG 33 2HD ARG 33 8.791 -8.420 3.216
248 HE ARG 33 HE ARG 33 8.721 -6.334 4.877
249 HH11 ARG 33 1HH1 ARG 33 10.209 -9.465 5.197
250 HH12 ARG 33 2HH1 ARG 33 11.500 -8.894 6.201
251 HH21 ARG 33 1HH2 ARG 33 10.416 -5.570 6.199
252 HH22 ARG 33 2HH2 ARG 33 11.617 -6.678 6.771
253 H VAL 34 H VAL 34 4.244 -6.852 6.978
254 HA VAL 34 HA VAL 34 3.631 -8.634 8.983
255 HB VAL 34 HB VAL 34 2.586 -6.790 10.190
256 HG11 VAL 34 1HG1 VAL 34 5.185 -6.881 9.262
257 HG12 VAL 34 2HG1 VAL 34 4.685 -5.220 8.938
258 HG13 VAL 34 3HG1 VAL 34 4.582 -5.870 10.575
259 HG21 VAL 34 3HG2 VAL 34 2.937 -4.811 8.056
260 HG22 VAL 34 1HG2 VAL 34 1.644 -5.975 7.770
261 HG23 VAL 34 2HG2 VAL 34 1.638 -4.992 9.234
262 H HIS 35 H HIS 35 1.623 -7.544 6.386
263 HA HIS 35 HA HIS 35 -0.855 -8.373 7.609
264 HB2 HIS 35 1HB HIS 35 -0.041 -7.176 5.009
265 HB3 HIS 35 2HB HIS 35 -1.548 -8.087 5.042
266 HD1 HIS 35 HD1 HIS 35 -2.556 -7.202 7.838
267 HD2 HIS 35 HD2 HIS 35 -1.032 -4.633 4.951
268 HE1 HIS 35 HE1 HIS 35 -3.511 -4.939 8.380
269 H THR 36 H THR 36 0.976 -9.474 4.750
270 HA THR 36 HA THR 36 -0.519 -11.865 4.451
271 HB THR 36 HB THR 36 1.348 -12.571 2.932
272 HG1 THR 36 HG1 THR 36 2.817 -11.013 4.269
273 HG21 THR 36 3HG2 THR 36 0.555 -11.282 1.227
274 HG22 THR 36 1HG2 THR 36 0.710 -9.783 2.140
275 HG23 THR 36 2HG2 THR 36 -0.648 -10.866 2.447
276 H GLY 37 H GLY 37 -0.552 -13.044 6.348
277 HA2 GLY 37 1HA GLY 37 1.077 -15.091 6.834
278 HA3 GLY 37 2HA GLY 37 1.967 -13.788 7.609
279 H GLU 38 H GLU 38 1.742 -14.073 9.733
280 HA GLU 38 HA GLU 38 -0.549 -15.245 10.936
281 HB2 GLU 38 1HB GLU 38 1.861 -13.808 12.020
282 HB3 GLU 38 2HB GLU 38 0.556 -14.329 13.076
283 HG2 GLU 38 1HG GLU 38 0.931 -16.606 12.578
284 HG3 GLU 38 2HG GLU 38 1.998 -16.208 11.232
285 H ARG 39 H ARG 39 -2.327 -14.351 11.822
286 HA ARG 39 HA ARG 39 -2.536 -11.412 11.751
287 HB2 ARG 39 1HB ARG 39 -4.420 -13.556 10.902
288 HB3 ARG 39 2HB ARG 39 -5.106 -12.104 11.619
289 HG2 ARG 39 1HG ARG 39 -3.216 -12.084 9.279
290 HG3 ARG 39 2HG ARG 39 -4.975 -12.081 9.132
291 HD2 ARG 39 1HD ARG 39 -3.661 -10.036 10.858
292 HD3 ARG 39 2HD ARG 39 -3.607 -9.836 9.107
293 HE ARG 39 HE ARG 39 -5.897 -9.463 9.093
294 HH11 ARG 39 1HH1 ARG 39 -4.803 -10.356 12.275
295 HH12 ARG 39 2HH1 ARG 39 -6.274 -9.879 13.056
296 HH21 ARG 39 1HH2 ARG 39 -7.838 -8.831 10.110
297 HH22 ARG 39 2HH2 ARG 39 -8.000 -9.013 11.824
298 H SER 40 H SER 40 -3.467 -10.368 13.477
299 HA SER 40 HA SER 40 -4.183 -12.041 15.794
300 HB2 SER 40 1HB SER 40 -2.290 -9.745 15.597
301 HB3 SER 40 2HB SER 40 -3.250 -9.897 17.068
302 HG SER 40 HG SER 40 -1.970 -11.441 17.659
303 H SER 41 H SER 41 -6.326 -11.833 15.958
304 HA SER 41 HA SER 41 -7.556 -9.213 15.511
305 HB2 SER 41 1HB SER 41 -8.840 -11.933 15.865
306 HB3 SER 41 2HB SER 41 -9.691 -10.438 15.476
307 HG SER 41 HG SER 41 -8.000 -10.464 13.639
308 H GLY 42 H GLY 42 -8.782 -8.164 17.057
309 HA2 GLY 42 1HA GLY 42 -8.709 -9.319 19.773
310 HA3 GLY 42 2HA GLY 42 -8.259 -7.646 19.481
311 HA PRO 43 HA PRO 43 -12.899 -8.175 20.339
312 HB2 PRO 43 1HB PRO 43 -12.941 -7.089 22.827
313 HB3 PRO 43 2HB PRO 43 -12.711 -8.818 22.537
314 HG2 PRO 43 1HG PRO 43 -10.669 -6.707 23.116
315 HG3 PRO 43 2HG PRO 43 -10.790 -8.354 23.762
316 HD2 PRO 43 1HD PRO 43 -9.086 -7.694 21.764
317 HD3 PRO 43 2HD PRO 43 -9.844 -9.295 21.883
318 H SER 44 H SER 44 -10.624 -5.598 21.212
319 HA SER 44 HA SER 44 -12.275 -3.678 19.779
320 HB2 SER 44 1HB SER 44 -11.736 -3.571 22.728
321 HB3 SER 44 2HB SER 44 -11.899 -2.072 21.813
322 HG SER 44 HG SER 44 -13.972 -2.425 21.596
323 H SER 45 H SER 45 -10.977 -2.586 18.478
324 HA SER 45 HA SER 45 -8.216 -2.050 19.362
325 HB2 SER 45 1HB SER 45 -9.176 -2.715 16.568
326 HB3 SER 45 2HB SER 45 -7.533 -2.225 16.979
327 HG SER 45 HG SER 45 -7.307 -4.089 18.193
328 H GLY 46 H GLY 46 -8.712 0.019 20.109
329 HA2 GLY 46 1HA GLY 46 -9.168 2.272 19.979
330 HA3 GLY 46 2HA GLY 46 -8.359 2.152 18.423