Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504849 | 2en8 RC | 10169 | 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 1.346 -28.121 -19.951
2 HA2 GLY 1 1HA GLY 1 1.868 -25.726 -20.899
3 HA3 GLY 1 2HA GLY 1 1.141 -26.432 -22.334
4 H SER 2 H SER 2 0.510 -25.887 -18.879
5 HA SER 2 HA SER 2 -2.257 -25.210 -19.579
6 HB2 SER 2 1HB SER 2 -3.196 -26.563 -17.876
7 HB3 SER 2 2HB SER 2 -2.032 -27.603 -18.696
8 HG SER 2 HG SER 2 -1.036 -27.801 -16.869
9 H SER 3 H SER 3 -2.977 -23.412 -18.617
10 HA SER 3 HA SER 3 -1.213 -21.814 -17.075
11 HB2 SER 3 1HB SER 3 -3.017 -20.201 -16.997
12 HB3 SER 3 2HB SER 3 -2.966 -20.911 -18.611
13 HG SER 3 HG SER 3 -4.779 -21.470 -16.510
14 H GLY 4 H GLY 4 -0.956 -21.632 -14.935
15 HA2 GLY 4 1HA GLY 4 -3.006 -22.819 -13.179
16 HA3 GLY 4 2HA GLY 4 -1.309 -23.221 -12.965
17 H SER 5 H SER 5 -3.063 -20.170 -13.534
18 HA SER 5 HA SER 5 -1.501 -18.959 -11.373
19 HB2 SER 5 1HB SER 5 -1.498 -17.815 -13.560
20 HB3 SER 5 2HB SER 5 -3.251 -17.646 -13.468
21 HG SER 5 HG SER 5 -2.541 -16.620 -11.274
22 H SER 6 H SER 6 -2.661 -19.873 -9.630
23 HA SER 6 HA SER 6 -5.490 -19.244 -9.375
24 HB2 SER 6 1HB SER 6 -4.610 -21.470 -8.680
25 HB3 SER 6 2HB SER 6 -3.668 -20.669 -7.422
26 HG SER 6 HG SER 6 -5.801 -21.544 -6.809
27 H GLY 7 H GLY 7 -6.374 -17.895 -7.825
28 HA2 GLY 7 1HA GLY 7 -4.454 -16.227 -6.323
29 HA3 GLY 7 2HA GLY 7 -5.794 -15.513 -7.208
30 H SER 8 H SER 8 -4.770 -16.514 -4.224
31 HA SER 8 HA SER 8 -7.535 -16.562 -3.226
32 HB2 SER 8 1HB SER 8 -7.000 -18.310 -1.639
33 HB3 SER 8 2HB SER 8 -6.584 -18.873 -3.257
34 HG SER 8 HG SER 8 -4.723 -17.702 -1.466
35 H GLY 9 H GLY 9 -7.791 -14.806 -2.019
36 HA2 GLY 9 1HA GLY 9 -5.820 -14.214 0.053
37 HA3 GLY 9 2HA GLY 9 -6.132 -12.949 -1.127
38 H GLU 10 H GLU 10 -7.814 -11.614 -0.813
39 HA GLU 10 HA GLU 10 -10.115 -12.382 0.722
40 HB2 GLU 10 1HB GLU 10 -8.198 -11.721 2.367
41 HB3 GLU 10 2HB GLU 10 -8.580 -10.078 1.872
42 HG2 GLU 10 1HG GLU 10 -10.760 -10.209 2.742
43 HG3 GLU 10 2HG GLU 10 -10.670 -11.961 2.912
44 H LYS 11 H LYS 11 -11.767 -10.730 0.750
45 HA LYS 11 HA LYS 11 -11.858 -9.263 -1.688
46 HB2 LYS 11 1HB LYS 11 -13.807 -10.317 -0.376
47 HB3 LYS 11 2HB LYS 11 -13.746 -8.870 0.623
48 HG2 LYS 11 1HG LYS 11 -15.307 -8.210 -0.882
49 HG3 LYS 11 2HG LYS 11 -13.857 -7.679 -1.737
50 HD2 LYS 11 1HD LYS 11 -15.107 -10.383 -2.166
51 HD3 LYS 11 2HD LYS 11 -15.559 -8.960 -3.107
52 HE2 LYS 11 1HE LYS 11 -13.935 -9.801 -4.467
53 HE3 LYS 11 2HE LYS 11 -12.935 -8.793 -3.422
54 HZ1 LYS 11 3HZ LYS 11 -13.053 -11.154 -2.093
55 HZ2 LYS 11 1HZ LYS 11 -11.772 -10.644 -3.074
56 HZ3 LYS 11 2HZ LYS 11 -12.976 -11.647 -3.709
57 H SER 12 H SER 12 -10.320 -8.595 1.152
58 HA SER 12 HA SER 12 -10.657 -5.686 0.851
59 HB2 SER 12 1HB SER 12 -11.218 -6.589 3.087
60 HB3 SER 12 2HB SER 12 -9.579 -7.226 3.226
61 HG SER 12 HG SER 12 -10.505 -4.634 3.479
62 H HIS 13 H HIS 13 -8.927 -4.398 0.445
63 HA HIS 13 HA HIS 13 -6.645 -5.518 -0.768
64 HB2 HIS 13 1HB HIS 13 -6.865 -2.705 0.307
65 HB3 HIS 13 2HB HIS 13 -5.853 -3.272 -1.018
66 HD1 HIS 13 HD1 HIS 13 -6.931 -3.481 -3.321
67 HD2 HIS 13 HD2 HIS 13 -9.605 -2.384 -0.337
68 HE1 HIS 13 HE1 HIS 13 -9.027 -2.782 -4.521
69 H THR 14 H THR 14 -4.832 -6.291 0.078
70 HA THR 14 HA THR 14 -4.199 -5.619 2.877
71 HB THR 14 HB THR 14 -3.568 -8.136 1.326
72 HG1 THR 14 HG1 THR 14 -5.730 -7.570 2.497
73 HG21 THR 14 3HG2 THR 14 -2.375 -8.947 3.186
74 HG22 THR 14 1HG2 THR 14 -2.943 -7.642 4.227
75 HG23 THR 14 2HG2 THR 14 -1.775 -7.306 2.949
76 H CYS 15 H CYS 15 -2.256 -4.768 3.353
77 HA CYS 15 HA CYS 15 -0.580 -3.861 1.220
78 HB2 CYS 15 1HB CYS 15 -1.012 -2.583 3.338
79 HB3 CYS 15 2HB CYS 15 -0.022 -3.764 4.189
80 H ASP 16 H ASP 16 0.878 -5.076 0.232
81 HA ASP 16 HA ASP 16 1.823 -7.542 1.318
82 HB2 ASP 16 1HB ASP 16 2.246 -6.001 -1.194
83 HB3 ASP 16 2HB ASP 16 3.465 -7.198 -0.761
84 H GLU 17 H GLU 17 2.753 -4.338 1.754
85 HA GLU 17 HA GLU 17 5.571 -4.713 2.039
86 HB2 GLU 17 1HB GLU 17 3.867 -2.517 3.223
87 HB3 GLU 17 2HB GLU 17 5.602 -2.475 2.945
88 HG2 GLU 17 1HG GLU 17 3.724 -2.885 0.660
89 HG3 GLU 17 2HG GLU 17 4.011 -1.269 1.303
90 H CYS 18 H CYS 18 2.837 -4.588 4.287
91 HA CYS 18 HA CYS 18 4.591 -5.749 6.350
92 HB2 CYS 18 1HB CYS 18 3.215 -4.556 8.045
93 HB3 CYS 18 2HB CYS 18 4.106 -3.467 6.988
94 H GLY 19 H GLY 19 1.292 -5.475 5.096
95 HA2 GLY 19 1HA GLY 19 0.114 -7.608 4.740
96 HA3 GLY 19 2HA GLY 19 0.727 -8.110 6.308
97 H LYS 20 H LYS 20 -0.411 -4.864 5.822
98 HA LYS 20 HA LYS 20 -2.389 -5.195 7.877
99 HB2 LYS 20 1HB LYS 20 -1.365 -2.917 6.238
100 HB3 LYS 20 2HB LYS 20 -2.917 -2.738 7.046
101 HG2 LYS 20 1HG LYS 20 -0.563 -3.690 8.606
102 HG3 LYS 20 2HG LYS 20 -0.716 -1.975 8.216
103 HD2 LYS 20 1HD LYS 20 -2.675 -1.743 9.450
104 HD3 LYS 20 2HD LYS 20 -3.012 -3.476 9.421
105 HE2 LYS 20 1HE LYS 20 -2.299 -3.033 11.613
106 HE3 LYS 20 2HE LYS 20 -0.898 -3.744 10.815
107 HZ1 LYS 20 3HZ LYS 20 -0.105 -1.897 12.000
108 HZ2 LYS 20 1HZ LYS 20 -1.365 -0.896 11.476
109 HZ3 LYS 20 2HZ LYS 20 -0.166 -1.386 10.388
110 H ASN 21 H ASN 21 -4.573 -3.895 7.322
111 HA ASN 21 HA ASN 21 -5.633 -4.944 4.789
112 HB2 ASN 21 1HB ASN 21 -6.182 -6.258 7.024
113 HB3 ASN 21 2HB ASN 21 -7.381 -4.982 7.211
114 HD21 ASN 21 1HD2 ASN 21 -6.162 -7.201 4.725
115 HD22 ASN 21 2HD2 ASN 21 -7.714 -7.589 4.071
116 H PHE 22 H PHE 22 -7.103 -3.664 3.754
117 HA PHE 22 HA PHE 22 -8.168 -1.316 5.113
118 HB2 PHE 22 1HB PHE 22 -6.620 -1.062 2.529
119 HB3 PHE 22 2HB PHE 22 -7.361 0.243 3.450
120 HD1 PHE 22 HD2 PHE 22 -4.584 -2.144 3.314
121 HD2 PHE 22 HD1 PHE 22 -6.311 1.130 5.414
122 HE1 PHE 22 HE2 PHE 22 -2.483 -1.838 4.557
123 HE2 PHE 22 HE1 PHE 22 -4.213 1.443 6.660
124 HZ PHE 22 HZ PHE 22 -2.296 -0.043 6.234
125 H CYS 23 H CYS 23 -10.278 -1.516 4.770
126 HA CYS 23 HA CYS 23 -11.575 -3.029 2.894
127 HB2 CYS 23 1HB CYS 23 -12.433 -0.482 4.264
128 HB3 CYS 23 2HB CYS 23 -13.516 -1.401 3.226
129 HG CYS 23 HG CYS 23 -14.406 -2.399 5.480
130 H TYR 24 H TYR 24 -10.647 0.383 2.609
131 HA TYR 24 HA TYR 24 -11.331 0.267 -0.251
132 HB2 TYR 24 1HB TYR 24 -10.968 2.885 0.119
133 HB3 TYR 24 2HB TYR 24 -12.507 2.098 0.452
134 HD1 TYR 24 HD2 TYR 24 -12.762 1.180 2.917
135 HD2 TYR 24 HD1 TYR 24 -10.044 4.238 1.748
136 HE1 TYR 24 HE2 TYR 24 -12.672 1.980 5.241
137 HE2 TYR 24 HE1 TYR 24 -9.946 5.046 4.069
138 HH TYR 24 HH TYR 24 -10.334 4.085 6.371
139 H ILE 25 H ILE 25 -9.724 0.180 -1.664
140 HA ILE 25 HA ILE 25 -7.066 -0.071 -1.111
141 HB ILE 25 HB ILE 25 -8.218 -0.428 -3.343
142 HG12 ILE 25 1HG1 ILE 25 -6.097 0.328 -4.626
143 HG13 ILE 25 2HG1 ILE 25 -5.515 0.861 -3.052
144 HG21 ILE 25 1HG2 ILE 25 -9.206 1.803 -3.535
145 HG22 ILE 25 2HG2 ILE 25 -7.594 2.504 -3.669
146 HG23 ILE 25 3HG2 ILE 25 -8.193 1.422 -4.926
147 HD11 ILE 25 3HD1 ILE 25 -6.101 -1.913 -3.999
148 HD12 ILE 25 1HD1 ILE 25 -4.619 -1.263 -3.298
149 HD13 ILE 25 2HD1 ILE 25 -6.036 -1.526 -2.280
150 H SER 26 H SER 26 -8.808 2.934 -1.796
151 HA SER 26 HA SER 26 -6.792 4.749 -2.026
152 HB2 SER 26 1HB SER 26 -9.362 5.081 -0.460
153 HB3 SER 26 2HB SER 26 -8.321 6.408 -0.976
154 HG SER 26 HG SER 26 -8.651 5.460 -3.169
155 H ALA 27 H ALA 27 -8.104 3.451 1.004
156 HA ALA 27 HA ALA 27 -6.533 4.970 2.762
157 HB1 ALA 27 3HB ALA 27 -7.004 2.391 3.880
158 HB2 ALA 27 1HB ALA 27 -7.800 3.921 4.248
159 HB3 ALA 27 2HB ALA 27 -8.428 2.886 2.965
160 H LEU 28 H LEU 28 -5.988 1.730 1.401
161 HA LEU 28 HA LEU 28 -3.642 1.068 2.687
162 HB2 LEU 28 1HB LEU 28 -4.446 -0.647 1.412
163 HB3 LEU 28 2HB LEU 28 -4.828 0.402 0.048
164 HG LEU 28 HG LEU 28 -2.321 0.534 -0.358
165 HD11 LEU 28 1HD1 LEU 28 -1.713 -2.007 0.767
166 HD12 LEU 28 2HD1 LEU 28 -2.293 -0.945 2.050
167 HD13 LEU 28 3HD1 LEU 28 -0.927 -0.453 1.049
168 HD21 LEU 28 3HD2 LEU 28 -2.456 -2.067 -1.096
169 HD22 LEU 28 1HD2 LEU 28 -3.205 -0.741 -1.986
170 HD23 LEU 28 2HD2 LEU 28 -4.166 -1.699 -0.859
171 H ARG 29 H ARG 29 -4.015 2.908 -0.332
172 HA ARG 29 HA ARG 29 -1.333 3.295 -0.927
173 HB2 ARG 29 1HB ARG 29 -3.540 5.312 -1.365
174 HB3 ARG 29 2HB ARG 29 -2.033 5.185 -2.262
175 HG2 ARG 29 1HG ARG 29 -4.153 3.050 -2.214
176 HG3 ARG 29 2HG ARG 29 -4.019 4.295 -3.457
177 HD2 ARG 29 1HD ARG 29 -1.991 2.170 -2.781
178 HD3 ARG 29 2HD ARG 29 -2.969 2.277 -4.244
179 HE ARG 29 HE ARG 29 -0.558 3.737 -3.654
180 HH11 ARG 29 1HH1 ARG 29 -3.480 3.648 -5.545
181 HH12 ARG 29 2HH1 ARG 29 -2.851 4.661 -6.803
182 HH21 ARG 29 1HH2 ARG 29 0.281 5.070 -5.303
183 HH22 ARG 29 2HH2 ARG 29 -0.712 5.468 -6.665
184 H ILE 30 H ILE 30 -3.463 5.208 1.162
185 HA ILE 30 HA ILE 30 -1.623 7.249 1.761
186 HB ILE 30 HB ILE 30 -3.897 6.213 3.458
187 HG12 ILE 30 1HG1 ILE 30 -3.875 8.623 1.641
188 HG13 ILE 30 2HG1 ILE 30 -4.425 7.038 1.108
189 HG21 ILE 30 1HG2 ILE 30 -2.762 7.493 4.969
190 HG22 ILE 30 2HG2 ILE 30 -2.044 8.519 3.728
191 HG23 ILE 30 3HG2 ILE 30 -3.731 8.745 4.192
192 HD11 ILE 30 3HD1 ILE 30 -5.959 9.002 2.277
193 HD12 ILE 30 1HD1 ILE 30 -6.403 7.307 2.073
194 HD13 ILE 30 2HD1 ILE 30 -5.680 7.854 3.586
195 H HIS 31 H HIS 31 -2.246 4.118 3.262
196 HA HIS 31 HA HIS 31 -0.521 4.532 5.491
197 HB2 HIS 31 1HB HIS 31 -2.044 2.858 5.930
198 HB3 HIS 31 2HB HIS 31 -1.951 2.197 4.300
199 HD1 HIS 31 HD1 HIS 31 -0.118 2.171 7.589
200 HD2 HIS 31 HD2 HIS 31 -0.120 0.161 3.954
201 HE1 HIS 31 HE1 HIS 31 1.394 0.188 7.917
202 H GLN 32 H GLN 32 -0.129 3.085 2.299
203 HA GLN 32 HA GLN 32 2.308 1.837 2.563
204 HB2 GLN 32 1HB GLN 32 1.030 3.294 0.271
205 HB3 GLN 32 2HB GLN 32 2.641 2.609 0.104
206 HG2 GLN 32 1HG GLN 32 1.543 0.432 0.962
207 HG3 GLN 32 2HG GLN 32 0.031 1.217 0.508
208 HE21 GLN 32 1HE2 GLN 32 0.233 2.301 -1.760
209 HE22 GLN 32 2HE2 GLN 32 0.873 1.274 -2.993
210 H ARG 33 H ARG 33 1.607 5.239 2.495
211 HA ARG 33 HA ARG 33 4.035 6.334 1.764
212 HB2 ARG 33 1HB ARG 33 2.194 7.340 3.941
213 HB3 ARG 33 2HB ARG 33 3.401 8.290 3.085
214 HG2 ARG 33 1HG ARG 33 2.184 8.111 1.034
215 HG3 ARG 33 2HG ARG 33 1.051 6.965 1.754
216 HD2 ARG 33 1HD ARG 33 0.353 8.733 3.346
217 HD3 ARG 33 2HD ARG 33 1.409 9.864 2.501
218 HE ARG 33 HE ARG 33 -0.430 8.608 0.726
219 HH11 ARG 33 1HH1 ARG 33 -0.126 11.123 3.114
220 HH12 ARG 33 2HH1 ARG 33 -1.416 12.078 2.462
221 HH21 ARG 33 1HH2 ARG 33 -2.130 9.857 -0.142
222 HH22 ARG 33 2HH2 ARG 33 -2.555 11.357 0.610
223 H VAL 34 H VAL 34 3.138 4.734 4.725
224 HA VAL 34 HA VAL 34 5.302 5.646 6.319
225 HB VAL 34 HB VAL 34 4.719 3.928 7.879
226 HG11 VAL 34 1HG1 VAL 34 2.486 4.488 8.334
227 HG12 VAL 34 2HG1 VAL 34 3.123 5.872 7.444
228 HG13 VAL 34 3HG1 VAL 34 2.099 4.692 6.626
229 HG21 VAL 34 3HG2 VAL 34 4.145 1.889 7.213
230 HG22 VAL 34 1HG2 VAL 34 2.629 2.520 6.571
231 HG23 VAL 34 2HG2 VAL 34 4.061 2.452 5.544
232 H HIS 35 H HIS 35 4.992 3.208 3.886
233 HA HIS 35 HA HIS 35 7.412 1.817 4.664
234 HB2 HIS 35 1HB HIS 35 5.512 1.506 2.340
235 HB3 HIS 35 2HB HIS 35 6.987 0.557 2.497
236 HD1 HIS 35 HD1 HIS 35 7.099 -1.050 4.628
237 HD2 HIS 35 HD2 HIS 35 3.373 0.580 3.778
238 HE1 HIS 35 HE1 HIS 35 5.447 -2.440 5.917
239 H MET 36 H MET 36 6.411 4.272 2.397
240 HA MET 36 HA MET 36 8.406 4.257 0.520
241 HB2 MET 36 1HB MET 36 7.230 6.702 1.854
242 HB3 MET 36 2HB MET 36 8.067 6.681 0.307
243 HG2 MET 36 1HG MET 36 5.674 4.950 0.703
244 HG3 MET 36 2HG MET 36 5.466 6.675 0.410
245 HE1 MET 36 3HE MET 36 4.968 3.650 -1.080
246 HE2 MET 36 1HE MET 36 5.730 3.568 -2.669
247 HE3 MET 36 2HE MET 36 6.672 3.215 -1.221
248 H GLY 37 H GLY 37 10.546 4.268 0.662
249 HA2 GLY 37 1HA GLY 37 11.982 6.156 2.225
250 HA3 GLY 37 2HA GLY 37 12.012 4.577 2.996
251 H GLU 38 H GLU 38 12.106 2.965 0.694
252 HA GLU 38 HA GLU 38 14.904 3.236 0.051
253 HB2 GLU 38 1HB GLU 38 12.802 1.166 -0.363
254 HB3 GLU 38 2HB GLU 38 14.196 1.144 -1.434
255 HG2 GLU 38 1HG GLU 38 15.685 0.967 0.478
256 HG3 GLU 38 2HG GLU 38 14.305 1.037 1.572
257 H LYS 39 H LYS 39 13.515 5.403 -0.943
258 HA LYS 39 HA LYS 39 13.998 5.080 -3.801
259 HB2 LYS 39 1HB LYS 39 11.422 6.187 -2.669
260 HB3 LYS 39 2HB LYS 39 11.897 6.287 -4.359
261 HG2 LYS 39 1HG LYS 39 11.520 4.064 -4.743
262 HG3 LYS 39 2HG LYS 39 11.809 3.612 -3.061
263 HD2 LYS 39 1HD LYS 39 9.485 3.346 -3.431
264 HD3 LYS 39 2HD LYS 39 9.668 4.833 -2.498
265 HE2 LYS 39 1HE LYS 39 8.226 5.574 -4.100
266 HE3 LYS 39 2HE LYS 39 9.754 5.908 -4.914
267 HZ1 LYS 39 3HZ LYS 39 9.225 4.500 -6.523
268 HZ2 LYS 39 1HZ LYS 39 7.682 4.349 -5.846
269 HZ3 LYS 39 2HZ LYS 39 8.900 3.252 -5.427
270 H CYS 40 H CYS 40 14.911 6.840 -4.724
271 HA CYS 40 HA CYS 40 15.033 9.304 -3.116
272 HB2 CYS 40 1HB CYS 40 17.346 9.555 -4.308
273 HB3 CYS 40 2HB CYS 40 17.205 8.525 -2.888
274 HG CYS 40 HG CYS 40 16.809 7.073 -5.920
275 H SER 41 H SER 41 14.620 7.823 -6.207
276 HA SER 41 HA SER 41 14.016 10.460 -7.356
277 HB2 SER 41 1HB SER 41 15.674 8.264 -8.597
278 HB3 SER 41 2HB SER 41 14.929 9.542 -9.556
279 HG SER 41 HG SER 41 16.749 9.924 -7.410
280 H GLY 42 H GLY 42 12.370 8.273 -6.209
281 HA2 GLY 42 1HA GLY 42 10.577 6.906 -6.772
282 HA3 GLY 42 2HA GLY 42 10.110 8.356 -7.648
283 HA PRO 43 HA PRO 43 12.278 5.330 -10.775
284 HB2 PRO 43 1HB PRO 43 12.394 2.741 -9.967
285 HB3 PRO 43 2HB PRO 43 13.697 3.899 -9.672
286 HG2 PRO 43 1HG PRO 43 11.534 2.969 -7.823
287 HG3 PRO 43 2HG PRO 43 13.258 3.217 -7.492
288 HD2 PRO 43 1HD PRO 43 11.365 5.022 -6.791
289 HD3 PRO 43 2HD PRO 43 13.012 5.497 -7.253
290 H SER 44 H SER 44 9.935 3.634 -8.682
291 HA SER 44 HA SER 44 8.254 3.213 -11.067
292 HB2 SER 44 1HB SER 44 8.733 1.458 -8.665
293 HB3 SER 44 2HB SER 44 7.305 1.260 -9.681
294 HG SER 44 HG SER 44 9.356 0.021 -10.172
295 H SER 45 H SER 45 5.915 3.093 -10.627
296 HA SER 45 HA SER 45 5.071 5.338 -9.093
297 HB2 SER 45 1HB SER 45 3.856 4.836 -11.094
298 HB3 SER 45 2HB SER 45 3.539 3.185 -10.561
299 HG SER 45 HG SER 45 1.795 3.944 -9.695
300 H GLY 46 H GLY 46 3.522 5.330 -7.353
301 HA2 GLY 46 1HA GLY 46 2.315 3.587 -5.860
302 HA3 GLY 46 2HA GLY 46 3.960 3.052 -5.548
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -32.229 -18.833 -13.357
2 HA2 GLY 1 1HA GLY 1 -31.346 -17.829 -10.882
3 HA3 GLY 1 2HA GLY 1 -31.570 -19.566 -10.731
4 H SER 2 H SER 2 -29.090 -18.346 -10.402
5 HA SER 2 HA SER 2 -27.566 -19.768 -12.397
6 HB2 SER 2 1HB SER 2 -26.183 -17.822 -13.040
7 HB3 SER 2 2HB SER 2 -27.865 -17.619 -13.528
8 HG SER 2 HG SER 2 -28.138 -16.349 -11.602
9 H SER 3 H SER 3 -25.256 -19.841 -11.867
10 HA SER 3 HA SER 3 -24.806 -19.435 -8.982
11 HB2 SER 3 1HB SER 3 -23.436 -21.401 -8.948
12 HB3 SER 3 2HB SER 3 -24.932 -21.831 -9.778
13 HG SER 3 HG SER 3 -23.716 -22.401 -11.380
14 H GLY 4 H GLY 4 -24.301 -17.359 -10.746
15 HA2 GLY 4 1HA GLY 4 -21.348 -17.357 -10.883
16 HA3 GLY 4 2HA GLY 4 -22.372 -16.488 -12.017
17 H SER 5 H SER 5 -20.223 -15.678 -10.024
18 HA SER 5 HA SER 5 -21.333 -13.181 -9.319
19 HB2 SER 5 1HB SER 5 -21.195 -13.455 -6.822
20 HB3 SER 5 2HB SER 5 -22.513 -14.352 -7.577
21 HG SER 5 HG SER 5 -20.191 -15.280 -6.356
22 H SER 6 H SER 6 -19.796 -12.071 -7.610
23 HA SER 6 HA SER 6 -17.187 -12.162 -8.746
24 HB2 SER 6 1HB SER 6 -16.686 -10.301 -7.382
25 HB3 SER 6 2HB SER 6 -18.404 -10.131 -7.740
26 HG SER 6 HG SER 6 -18.887 -10.549 -5.709
27 H GLY 7 H GLY 7 -15.222 -12.163 -7.199
28 HA2 GLY 7 1HA GLY 7 -15.209 -13.613 -4.812
29 HA3 GLY 7 2HA GLY 7 -14.986 -14.764 -6.121
30 H SER 8 H SER 8 -13.432 -13.302 -7.872
31 HA SER 8 HA SER 8 -10.874 -13.784 -7.098
32 HB2 SER 8 1HB SER 8 -12.035 -11.795 -9.016
33 HB3 SER 8 2HB SER 8 -10.298 -11.788 -8.707
34 HG SER 8 HG SER 8 -11.874 -13.682 -9.998
35 H GLY 9 H GLY 9 -9.079 -12.263 -6.604
36 HA2 GLY 9 1HA GLY 9 -8.077 -10.756 -5.193
37 HA3 GLY 9 2HA GLY 9 -9.477 -9.730 -5.470
38 H GLU 10 H GLU 10 -7.871 -10.294 -3.023
39 HA GLU 10 HA GLU 10 -9.288 -11.891 -1.217
40 HB2 GLU 10 1HB GLU 10 -6.971 -10.662 -1.025
41 HB3 GLU 10 2HB GLU 10 -7.936 -9.386 -0.296
42 HG2 GLU 10 1HG GLU 10 -8.814 -11.102 1.308
43 HG3 GLU 10 2HG GLU 10 -7.609 -12.214 0.662
44 H LYS 11 H LYS 11 -10.590 -11.181 0.630
45 HA LYS 11 HA LYS 11 -12.827 -9.661 -0.204
46 HB2 LYS 11 1HB LYS 11 -11.973 -10.980 2.331
47 HB3 LYS 11 2HB LYS 11 -13.274 -9.800 2.410
48 HG2 LYS 11 1HG LYS 11 -13.361 -12.040 0.429
49 HG3 LYS 11 2HG LYS 11 -13.861 -12.285 2.104
50 HD2 LYS 11 1HD LYS 11 -15.356 -10.233 1.759
51 HD3 LYS 11 2HD LYS 11 -15.049 -10.458 0.036
52 HE2 LYS 11 1HE LYS 11 -16.064 -12.679 1.787
53 HE3 LYS 11 2HE LYS 11 -17.151 -11.533 1.004
54 HZ1 LYS 11 3HZ LYS 11 -16.915 -12.563 -0.936
55 HZ2 LYS 11 1HZ LYS 11 -16.177 -13.830 -0.093
56 HZ3 LYS 11 2HZ LYS 11 -15.229 -12.626 -0.810
57 H SER 12 H SER 12 -9.834 -8.634 0.727
58 HA SER 12 HA SER 12 -10.664 -5.917 0.966
59 HB2 SER 12 1HB SER 12 -10.981 -7.073 3.316
60 HB3 SER 12 2HB SER 12 -9.234 -6.857 3.422
61 HG SER 12 HG SER 12 -11.185 -5.040 3.750
62 H HIS 13 H HIS 13 -8.930 -4.453 0.832
63 HA HIS 13 HA HIS 13 -6.619 -5.479 -0.482
64 HB2 HIS 13 1HB HIS 13 -7.038 -2.676 0.568
65 HB3 HIS 13 2HB HIS 13 -5.932 -3.180 -0.706
66 HD1 HIS 13 HD1 HIS 13 -6.897 -3.504 -3.049
67 HD2 HIS 13 HD2 HIS 13 -9.756 -2.529 -0.198
68 HE1 HIS 13 HE1 HIS 13 -8.980 -2.957 -4.347
69 H THR 14 H THR 14 -4.924 -6.358 0.481
70 HA THR 14 HA THR 14 -4.227 -5.477 3.205
71 HB THR 14 HB THR 14 -3.614 -8.114 1.856
72 HG1 THR 14 HG1 THR 14 -5.726 -8.148 2.500
73 HG21 THR 14 3HG2 THR 14 -2.135 -6.898 3.815
74 HG22 THR 14 1HG2 THR 14 -2.221 -8.637 3.540
75 HG23 THR 14 2HG2 THR 14 -3.257 -7.884 4.752
76 H CYS 15 H CYS 15 -2.312 -4.539 3.546
77 HA CYS 15 HA CYS 15 -0.629 -3.838 1.375
78 HB2 CYS 15 1HB CYS 15 -0.951 -2.479 3.457
79 HB3 CYS 15 2HB CYS 15 0.012 -3.670 4.325
80 H ASP 16 H ASP 16 0.741 -5.147 0.380
81 HA ASP 16 HA ASP 16 1.637 -7.606 1.511
82 HB2 ASP 16 1HB ASP 16 1.285 -6.903 -0.998
83 HB3 ASP 16 2HB ASP 16 2.960 -6.371 -0.874
84 H GLU 17 H GLU 17 2.696 -4.424 1.822
85 HA GLU 17 HA GLU 17 5.502 -4.883 2.041
86 HB2 GLU 17 1HB GLU 17 3.921 -2.617 3.258
87 HB3 GLU 17 2HB GLU 17 5.638 -2.634 2.880
88 HG2 GLU 17 1HG GLU 17 4.791 -3.065 0.445
89 HG3 GLU 17 2HG GLU 17 3.299 -2.359 1.061
90 H CYS 18 H CYS 18 2.862 -4.578 4.389
91 HA CYS 18 HA CYS 18 4.639 -5.780 6.409
92 HB2 CYS 18 1HB CYS 18 3.335 -4.511 8.121
93 HB3 CYS 18 2HB CYS 18 4.266 -3.484 7.036
94 H GLY 19 H GLY 19 1.363 -5.495 5.142
95 HA2 GLY 19 1HA GLY 19 0.123 -7.603 4.913
96 HA3 GLY 19 2HA GLY 19 0.715 -8.032 6.511
97 H LYS 20 H LYS 20 -0.269 -4.771 5.947
98 HA LYS 20 HA LYS 20 -2.249 -4.904 7.986
99 HB2 LYS 20 1HB LYS 20 -1.259 -2.800 6.110
100 HB3 LYS 20 2HB LYS 20 -2.782 -2.533 6.949
101 HG2 LYS 20 1HG LYS 20 -0.434 -3.384 8.555
102 HG3 LYS 20 2HG LYS 20 -0.482 -1.726 7.950
103 HD2 LYS 20 1HD LYS 20 -2.835 -1.619 8.936
104 HD3 LYS 20 2HD LYS 20 -2.418 -3.106 9.790
105 HE2 LYS 20 1HE LYS 20 -0.301 -1.746 10.504
106 HE3 LYS 20 2HE LYS 20 -1.305 -0.352 10.106
107 HZ1 LYS 20 3HZ LYS 20 -2.996 -1.736 11.601
108 HZ2 LYS 20 1HZ LYS 20 -1.924 -0.596 12.245
109 HZ3 LYS 20 2HZ LYS 20 -1.543 -2.243 12.303
110 H ASN 21 H ASN 21 -4.433 -3.623 7.347
111 HA ASN 21 HA ASN 21 -5.560 -4.877 4.943
112 HB2 ASN 21 1HB ASN 21 -6.054 -6.128 7.159
113 HB3 ASN 21 2HB ASN 21 -7.132 -4.779 7.505
114 HD21 ASN 21 1HD2 ASN 21 -6.563 -7.565 5.534
115 HD22 ASN 21 2HD2 ASN 21 -8.126 -7.623 4.800
116 H PHE 22 H PHE 22 -7.094 -3.690 3.878
117 HA PHE 22 HA PHE 22 -8.187 -1.292 5.093
118 HB2 PHE 22 1HB PHE 22 -6.598 -1.079 2.531
119 HB3 PHE 22 2HB PHE 22 -7.351 0.234 3.430
120 HD1 PHE 22 HD2 PHE 22 -4.551 -2.122 3.325
121 HD2 PHE 22 HD1 PHE 22 -6.327 1.139 5.405
122 HE1 PHE 22 HE2 PHE 22 -2.460 -1.786 4.577
123 HE2 PHE 22 HE1 PHE 22 -4.238 1.482 6.659
124 HZ PHE 22 HZ PHE 22 -2.301 0.017 6.246
125 H CYS 23 H CYS 23 -10.282 -1.543 4.694
126 HA CYS 23 HA CYS 23 -11.461 -3.146 2.790
127 HB2 CYS 23 1HB CYS 23 -12.428 -0.723 4.276
128 HB3 CYS 23 2HB CYS 23 -13.458 -1.498 3.078
129 HG CYS 23 HG CYS 23 -13.109 -2.264 6.197
130 H TYR 24 H TYR 24 -10.581 0.270 2.543
131 HA TYR 24 HA TYR 24 -11.271 0.184 -0.318
132 HB2 TYR 24 1HB TYR 24 -10.956 2.803 0.084
133 HB3 TYR 24 2HB TYR 24 -12.482 1.985 0.401
134 HD1 TYR 24 HD2 TYR 24 -12.673 0.989 2.867
135 HD2 TYR 24 HD1 TYR 24 -10.124 4.198 1.721
136 HE1 TYR 24 HE2 TYR 24 -12.608 1.763 5.200
137 HE2 TYR 24 HE1 TYR 24 -10.052 4.980 4.052
138 HH TYR 24 HH TYR 24 -12.098 3.597 6.518
139 H ILE 25 H ILE 25 -9.653 0.132 -1.719
140 HA ILE 25 HA ILE 25 -6.997 -0.085 -1.165
141 HB ILE 25 HB ILE 25 -8.064 -0.450 -3.401
142 HG12 ILE 25 1HG1 ILE 25 -6.052 0.395 -4.698
143 HG13 ILE 25 2HG1 ILE 25 -5.520 1.166 -3.207
144 HG21 ILE 25 1HG2 ILE 25 -9.238 1.727 -3.489
145 HG22 ILE 25 2HG2 ILE 25 -7.683 2.522 -3.728
146 HG23 ILE 25 3HG2 ILE 25 -8.291 1.392 -4.938
147 HD11 ILE 25 3HD1 ILE 25 -6.108 -1.768 -3.340
148 HD12 ILE 25 1HD1 ILE 25 -4.536 -1.107 -3.787
149 HD13 ILE 25 2HD1 ILE 25 -5.154 -0.883 -2.150
150 H SER 26 H SER 26 -8.741 2.922 -1.881
151 HA SER 26 HA SER 26 -6.746 4.755 -2.021
152 HB2 SER 26 1HB SER 26 -9.294 5.109 -0.424
153 HB3 SER 26 2HB SER 26 -8.294 6.403 -1.085
154 HG SER 26 HG SER 26 -9.012 5.978 -3.058
155 H ALA 27 H ALA 27 -8.110 3.416 0.970
156 HA ALA 27 HA ALA 27 -6.557 4.918 2.765
157 HB1 ALA 27 3HB ALA 27 -7.856 3.879 4.232
158 HB2 ALA 27 1HB ALA 27 -8.495 2.878 2.928
159 HB3 ALA 27 2HB ALA 27 -7.095 2.333 3.853
160 H LEU 28 H LEU 28 -6.039 1.668 1.412
161 HA LEU 28 HA LEU 28 -3.705 1.006 2.743
162 HB2 LEU 28 1HB LEU 28 -4.540 -0.741 1.531
163 HB3 LEU 28 2HB LEU 28 -4.907 0.264 0.131
164 HG LEU 28 HG LEU 28 -2.450 0.326 -0.359
165 HD11 LEU 28 1HD1 LEU 28 -1.928 -2.085 1.201
166 HD12 LEU 28 2HD1 LEU 28 -2.173 -0.642 2.184
167 HD13 LEU 28 3HD1 LEU 28 -0.924 -0.659 0.940
168 HD21 LEU 28 3HD2 LEU 28 -3.191 -1.187 -1.817
169 HD22 LEU 28 1HD2 LEU 28 -4.302 -1.890 -0.641
170 HD23 LEU 28 2HD2 LEU 28 -2.619 -2.415 -0.687
171 H ARG 29 H ARG 29 -4.082 2.787 -0.306
172 HA ARG 29 HA ARG 29 -1.386 3.105 -0.928
173 HB2 ARG 29 1HB ARG 29 -3.567 5.131 -1.447
174 HB3 ARG 29 2HB ARG 29 -2.067 4.936 -2.344
175 HG2 ARG 29 1HG ARG 29 -4.224 2.844 -2.193
176 HG3 ARG 29 2HG ARG 29 -4.074 4.030 -3.491
177 HD2 ARG 29 1HD ARG 29 -2.103 1.880 -2.735
178 HD3 ARG 29 2HD ARG 29 -3.058 1.984 -4.214
179 HE ARG 29 HE ARG 29 -0.575 3.274 -3.690
180 HH11 ARG 29 1HH1 ARG 29 -3.602 3.625 -5.373
181 HH12 ARG 29 2HH1 ARG 29 -2.955 4.679 -6.587
182 HH21 ARG 29 1HH2 ARG 29 0.289 4.661 -5.282
183 HH22 ARG 29 2HH2 ARG 29 -0.741 5.266 -6.535
184 H ILE 30 H ILE 30 -3.502 5.101 1.094
185 HA ILE 30 HA ILE 30 -1.665 7.164 1.611
186 HB ILE 30 HB ILE 30 -3.916 6.171 3.363
187 HG12 ILE 30 1HG1 ILE 30 -3.976 8.578 1.559
188 HG13 ILE 30 2HG1 ILE 30 -4.384 6.978 0.948
189 HG21 ILE 30 1HG2 ILE 30 -3.819 8.586 4.186
190 HG22 ILE 30 2HG2 ILE 30 -2.561 7.486 4.748
191 HG23 ILE 30 3HG2 ILE 30 -2.213 8.640 3.461
192 HD11 ILE 30 3HD1 ILE 30 -6.014 8.820 2.363
193 HD12 ILE 30 1HD1 ILE 30 -6.445 7.251 1.684
194 HD13 ILE 30 2HD1 ILE 30 -5.836 7.361 3.336
195 H HIS 31 H HIS 31 -2.230 4.067 3.191
196 HA HIS 31 HA HIS 31 -0.494 4.563 5.398
197 HB2 HIS 31 1HB HIS 31 -1.994 2.885 5.899
198 HB3 HIS 31 2HB HIS 31 -1.911 2.183 4.286
199 HD1 HIS 31 HD1 HIS 31 -0.003 2.291 7.538
200 HD2 HIS 31 HD2 HIS 31 -0.102 0.128 3.992
201 HE1 HIS 31 HE1 HIS 31 1.522 0.326 7.906
202 H GLN 32 H GLN 32 -0.131 2.900 2.294
203 HA GLN 32 HA GLN 32 2.326 1.735 2.560
204 HB2 GLN 32 1HB GLN 32 1.053 3.122 0.215
205 HB3 GLN 32 2HB GLN 32 2.633 2.362 0.079
206 HG2 GLN 32 1HG GLN 32 1.465 0.271 1.021
207 HG3 GLN 32 2HG GLN 32 -0.028 1.095 0.575
208 HE21 GLN 32 1HE2 GLN 32 0.228 2.130 -1.741
209 HE22 GLN 32 2HE2 GLN 32 0.771 1.020 -2.948
210 H ARG 33 H ARG 33 1.593 5.128 2.335
211 HA ARG 33 HA ARG 33 3.986 6.228 1.541
212 HB2 ARG 33 1HB ARG 33 2.133 7.243 3.704
213 HB3 ARG 33 2HB ARG 33 3.371 8.198 2.900
214 HG2 ARG 33 1HG ARG 33 2.225 8.074 0.817
215 HG3 ARG 33 2HG ARG 33 1.084 6.887 1.453
216 HD2 ARG 33 1HD ARG 33 0.360 8.632 3.113
217 HD3 ARG 33 2HD ARG 33 1.341 9.789 2.214
218 HE ARG 33 HE ARG 33 -0.521 8.384 0.554
219 HH11 ARG 33 1HH1 ARG 33 -0.140 11.062 2.746
220 HH12 ARG 33 2HH1 ARG 33 -1.458 11.966 2.077
221 HH21 ARG 33 1HH2 ARG 33 -2.258 9.565 -0.335
222 HH22 ARG 33 2HH2 ARG 33 -2.663 11.113 0.325
223 H VAL 34 H VAL 34 3.102 4.954 4.706
224 HA VAL 34 HA VAL 34 5.309 5.856 6.169
225 HB VAL 34 HB VAL 34 4.789 4.197 7.799
226 HG11 VAL 34 1HG1 VAL 34 2.576 4.730 8.274
227 HG12 VAL 34 2HG1 VAL 34 3.087 6.049 7.219
228 HG13 VAL 34 3HG1 VAL 34 2.108 4.731 6.574
229 HG21 VAL 34 3HG2 VAL 34 3.664 2.728 5.472
230 HG22 VAL 34 1HG2 VAL 34 4.649 2.141 6.812
231 HG23 VAL 34 2HG2 VAL 34 2.933 2.467 7.055
232 H HIS 35 H HIS 35 4.941 3.146 3.984
233 HA HIS 35 HA HIS 35 7.391 1.862 4.715
234 HB2 HIS 35 1HB HIS 35 5.512 1.558 2.377
235 HB3 HIS 35 2HB HIS 35 7.005 0.632 2.506
236 HD1 HIS 35 HD1 HIS 35 7.167 -0.955 4.677
237 HD2 HIS 35 HD2 HIS 35 3.395 0.513 3.743
238 HE1 HIS 35 HE1 HIS 35 5.548 -2.411 5.936
239 H MET 36 H MET 36 6.450 4.328 2.434
240 HA MET 36 HA MET 36 8.457 4.319 0.584
241 HB2 MET 36 1HB MET 36 7.218 6.701 1.969
242 HB3 MET 36 2HB MET 36 8.220 6.813 0.529
243 HG2 MET 36 1HG MET 36 5.636 5.284 0.718
244 HG3 MET 36 2HG MET 36 5.812 6.903 0.045
245 HE1 MET 36 3HE MET 36 4.515 4.509 -1.922
246 HE2 MET 36 1HE MET 36 4.648 6.268 -1.971
247 HE3 MET 36 2HE MET 36 5.286 5.298 -3.299
248 H GLY 37 H GLY 37 10.595 4.739 0.518
249 HA2 GLY 37 1HA GLY 37 12.282 4.510 2.619
250 HA3 GLY 37 2HA GLY 37 12.685 5.461 1.198
251 H GLU 38 H GLU 38 12.263 5.531 4.513
252 HA GLU 38 HA GLU 38 12.199 8.474 4.483
253 HB2 GLU 38 1HB GLU 38 10.691 6.565 6.242
254 HB3 GLU 38 2HB GLU 38 11.099 8.174 6.820
255 HG2 GLU 38 1HG GLU 38 9.635 7.716 4.243
256 HG3 GLU 38 2HG GLU 38 8.809 7.870 5.792
257 H LYS 39 H LYS 39 14.474 8.500 4.573
258 HA LYS 39 HA LYS 39 15.873 7.168 6.707
259 HB2 LYS 39 1HB LYS 39 16.845 9.297 4.791
260 HB3 LYS 39 2HB LYS 39 17.858 8.303 5.830
261 HG2 LYS 39 1HG LYS 39 16.667 6.338 4.550
262 HG3 LYS 39 2HG LYS 39 16.425 7.589 3.328
263 HD2 LYS 39 1HD LYS 39 18.987 8.032 3.767
264 HD3 LYS 39 2HD LYS 39 18.950 6.357 4.322
265 HE2 LYS 39 1HE LYS 39 18.480 5.534 2.238
266 HE3 LYS 39 2HE LYS 39 17.660 7.007 1.722
267 HZ1 LYS 39 3HZ LYS 39 20.048 7.994 1.918
268 HZ2 LYS 39 1HZ LYS 39 19.593 7.131 0.536
269 HZ3 LYS 39 2HZ LYS 39 20.527 6.383 1.730
270 H CYS 40 H CYS 40 15.440 10.607 5.851
271 HA CYS 40 HA CYS 40 16.519 11.780 8.072
272 HB2 CYS 40 1HB CYS 40 15.639 13.003 6.100
273 HB3 CYS 40 2HB CYS 40 14.002 12.695 6.666
274 HG CYS 40 HG CYS 40 14.592 14.092 9.159
275 H SER 41 H SER 41 13.162 10.668 7.702
276 HA SER 41 HA SER 41 11.947 11.436 9.960
277 HB2 SER 41 1HB SER 41 10.624 9.416 9.916
278 HB3 SER 41 2HB SER 41 10.999 9.865 8.252
279 HG SER 41 HG SER 41 12.113 7.796 9.818
280 H GLY 42 H GLY 42 14.241 8.726 9.783
281 HA2 GLY 42 1HA GLY 42 14.436 8.840 12.731
282 HA3 GLY 42 2HA GLY 42 14.614 7.357 11.806
283 HA PRO 43 HA PRO 43 18.821 9.183 12.681
284 HB2 PRO 43 1HB PRO 43 19.858 6.931 13.786
285 HB3 PRO 43 2HB PRO 43 18.988 8.148 14.726
286 HG2 PRO 43 1HG PRO 43 18.005 5.540 13.633
287 HG3 PRO 43 2HG PRO 43 17.717 6.266 15.225
288 HD2 PRO 43 1HD PRO 43 15.893 6.366 13.226
289 HD3 PRO 43 2HD PRO 43 16.064 7.661 14.429
290 H SER 44 H SER 44 17.403 6.946 10.697
291 HA SER 44 HA SER 44 19.195 5.252 9.642
292 HB2 SER 44 1HB SER 44 17.069 5.392 8.596
293 HB3 SER 44 2HB SER 44 17.296 7.093 8.189
294 HG SER 44 HG SER 44 18.685 6.539 6.598
295 H SER 45 H SER 45 20.902 5.271 8.178
296 HA SER 45 HA SER 45 22.095 7.905 7.620
297 HB2 SER 45 1HB SER 45 23.515 5.417 8.596
298 HB3 SER 45 2HB SER 45 24.338 6.856 7.994
299 HG SER 45 HG SER 45 24.152 6.882 10.269
300 H GLY 46 H GLY 46 22.371 4.439 6.809
301 HA2 GLY 46 1HA GLY 46 22.905 5.248 4.019
302 HA3 GLY 46 2HA GLY 46 23.497 3.764 4.751
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -16.981 -28.400 14.262
2 HA2 GLY 1 1HA GLY 1 -17.566 -29.698 11.702
3 HA3 GLY 1 2HA GLY 1 -18.751 -29.106 12.857
4 H SER 2 H SER 2 -17.826 -26.512 13.242
5 HA SER 2 HA SER 2 -18.530 -25.338 10.653
6 HB2 SER 2 1HB SER 2 -19.079 -23.316 11.928
7 HB3 SER 2 2HB SER 2 -19.914 -24.718 12.598
8 HG SER 2 HG SER 2 -17.841 -24.749 13.985
9 H SER 3 H SER 3 -17.495 -23.195 10.149
10 HA SER 3 HA SER 3 -14.619 -23.518 10.293
11 HB2 SER 3 1HB SER 3 -16.012 -22.815 8.217
12 HB3 SER 3 2HB SER 3 -16.015 -21.213 8.956
13 HG SER 3 HG SER 3 -13.743 -21.263 8.921
14 H GLY 4 H GLY 4 -17.040 -21.107 11.259
15 HA2 GLY 4 1HA GLY 4 -16.564 -20.182 13.555
16 HA3 GLY 4 2HA GLY 4 -14.962 -19.827 12.925
17 H SER 5 H SER 5 -15.439 -17.620 13.581
18 HA SER 5 HA SER 5 -17.442 -15.971 12.857
19 HB2 SER 5 1HB SER 5 -15.146 -15.459 14.002
20 HB3 SER 5 2HB SER 5 -14.638 -15.013 12.373
21 HG SER 5 HG SER 5 -16.823 -13.773 12.550
22 H SER 6 H SER 6 -14.653 -16.704 10.764
23 HA SER 6 HA SER 6 -15.103 -15.254 8.558
24 HB2 SER 6 1HB SER 6 -14.411 -18.195 8.670
25 HB3 SER 6 2HB SER 6 -14.315 -17.230 7.197
26 HG SER 6 HG SER 6 -12.798 -15.899 8.247
27 H GLY 7 H GLY 7 -16.702 -14.899 7.164
28 HA2 GLY 7 1HA GLY 7 -18.958 -16.799 7.147
29 HA3 GLY 7 2HA GLY 7 -19.087 -15.083 6.790
30 H SER 8 H SER 8 -18.616 -14.331 4.745
31 HA SER 8 HA SER 8 -18.348 -16.427 2.701
32 HB2 SER 8 1HB SER 8 -20.387 -15.139 2.475
33 HB3 SER 8 2HB SER 8 -19.482 -13.626 2.524
34 HG SER 8 HG SER 8 -18.758 -15.475 0.574
35 H GLY 9 H GLY 9 -17.213 -13.166 3.540
36 HA2 GLY 9 1HA GLY 9 -14.869 -12.630 3.394
37 HA3 GLY 9 2HA GLY 9 -14.740 -13.757 2.052
38 H GLU 10 H GLU 10 -13.618 -11.442 1.570
39 HA GLU 10 HA GLU 10 -15.007 -10.420 -0.653
40 HB2 GLU 10 1HB GLU 10 -16.372 -9.346 1.117
41 HB3 GLU 10 2HB GLU 10 -14.924 -8.556 1.725
42 HG2 GLU 10 1HG GLU 10 -15.915 -6.912 0.445
43 HG3 GLU 10 2HG GLU 10 -14.711 -7.591 -0.650
44 H LYS 11 H LYS 11 -13.765 -8.936 -1.866
45 HA LYS 11 HA LYS 11 -11.025 -9.268 -1.794
46 HB2 LYS 11 1HB LYS 11 -12.070 -8.482 -3.797
47 HB3 LYS 11 2HB LYS 11 -12.692 -7.051 -2.984
48 HG2 LYS 11 1HG LYS 11 -10.929 -6.113 -4.050
49 HG3 LYS 11 2HG LYS 11 -10.107 -6.625 -2.574
50 HD2 LYS 11 1HD LYS 11 -10.258 -8.560 -4.824
51 HD3 LYS 11 2HD LYS 11 -9.154 -7.192 -4.985
52 HE2 LYS 11 1HE LYS 11 -7.751 -8.662 -3.961
53 HE3 LYS 11 2HE LYS 11 -8.481 -7.938 -2.529
54 HZ1 LYS 11 3HZ LYS 11 -10.122 -10.039 -3.329
55 HZ2 LYS 11 1HZ LYS 11 -9.164 -9.942 -1.938
56 HZ3 LYS 11 2HZ LYS 11 -8.535 -10.625 -3.352
57 H SER 12 H SER 12 -9.459 -8.513 -0.536
58 HA SER 12 HA SER 12 -9.863 -5.958 0.860
59 HB2 SER 12 1HB SER 12 -8.706 -6.977 2.854
60 HB3 SER 12 2HB SER 12 -10.312 -7.628 2.528
61 HG SER 12 HG SER 12 -8.860 -9.310 2.925
62 H HIS 13 H HIS 13 -8.240 -4.586 0.564
63 HA HIS 13 HA HIS 13 -5.869 -5.437 -0.837
64 HB2 HIS 13 1HB HIS 13 -6.364 -2.686 0.288
65 HB3 HIS 13 2HB HIS 13 -5.365 -3.136 -1.090
66 HD1 HIS 13 HD1 HIS 13 -6.464 -3.155 -3.347
67 HD2 HIS 13 HD2 HIS 13 -9.201 -2.838 -0.237
68 HE1 HIS 13 HE1 HIS 13 -8.677 -2.683 -4.445
69 H THR 14 H THR 14 -4.401 -6.514 0.335
70 HA THR 14 HA THR 14 -3.756 -5.567 3.035
71 HB THR 14 HB THR 14 -3.040 -8.151 1.639
72 HG1 THR 14 HG1 THR 14 -4.414 -8.953 3.418
73 HG21 THR 14 3HG2 THR 14 -1.598 -6.914 3.644
74 HG22 THR 14 1HG2 THR 14 -1.569 -8.634 3.256
75 HG23 THR 14 2HG2 THR 14 -2.642 -8.034 4.521
76 H CYS 15 H CYS 15 -1.824 -4.701 3.547
77 HA CYS 15 HA CYS 15 -0.100 -3.830 1.448
78 HB2 CYS 15 1HB CYS 15 -0.520 -2.497 3.493
79 HB3 CYS 15 2HB CYS 15 0.326 -3.715 4.441
80 H ASP 16 H ASP 16 1.641 -4.787 0.627
81 HA ASP 16 HA ASP 16 2.492 -7.341 1.699
82 HB2 ASP 16 1HB ASP 16 2.199 -7.043 -0.732
83 HB3 ASP 16 2HB ASP 16 3.470 -5.823 -0.729
84 H GLU 17 H GLU 17 3.356 -4.120 2.110
85 HA GLU 17 HA GLU 17 6.178 -4.433 2.422
86 HB2 GLU 17 1HB GLU 17 4.419 -2.265 3.576
87 HB3 GLU 17 2HB GLU 17 6.155 -2.188 3.308
88 HG2 GLU 17 1HG GLU 17 4.244 -2.612 1.043
89 HG3 GLU 17 2HG GLU 17 4.620 -1.000 1.647
90 H CYS 18 H CYS 18 3.427 -4.333 4.652
91 HA CYS 18 HA CYS 18 5.195 -5.421 6.744
92 HB2 CYS 18 1HB CYS 18 3.787 -4.267 8.413
93 HB3 CYS 18 2HB CYS 18 4.570 -3.136 7.314
94 H GLY 19 H GLY 19 1.879 -5.277 5.493
95 HA2 GLY 19 1HA GLY 19 0.860 -7.524 5.128
96 HA3 GLY 19 2HA GLY 19 1.400 -7.907 6.757
97 H LYS 20 H LYS 20 0.147 -4.752 6.023
98 HA LYS 20 HA LYS 20 -1.920 -5.044 7.984
99 HB2 LYS 20 1HB LYS 20 -0.918 -2.851 6.233
100 HB3 LYS 20 2HB LYS 20 -2.542 -2.698 6.891
101 HG2 LYS 20 1HG LYS 20 -0.252 -3.350 8.695
102 HG3 LYS 20 2HG LYS 20 -0.533 -1.687 8.174
103 HD2 LYS 20 1HD LYS 20 -2.619 -1.587 9.226
104 HD3 LYS 20 2HD LYS 20 -2.742 -3.343 9.350
105 HE2 LYS 20 1HE LYS 20 -1.260 -3.446 11.134
106 HE3 LYS 20 2HE LYS 20 -0.548 -1.878 10.761
107 HZ1 LYS 20 3HZ LYS 20 -2.176 -2.116 12.742
108 HZ2 LYS 20 1HZ LYS 20 -3.375 -2.032 11.551
109 HZ3 LYS 20 2HZ LYS 20 -2.279 -0.758 11.739
110 H ASN 21 H ASN 21 -4.147 -3.933 7.232
111 HA ASN 21 HA ASN 21 -5.016 -5.165 4.716
112 HB2 ASN 21 1HB ASN 21 -5.505 -6.585 6.835
113 HB3 ASN 21 2HB ASN 21 -6.737 -5.373 7.171
114 HD21 ASN 21 1HD2 ASN 21 -5.580 -7.420 4.518
115 HD22 ASN 21 2HD2 ASN 21 -7.149 -7.810 3.908
116 H PHE 22 H PHE 22 -6.591 -4.062 3.623
117 HA PHE 22 HA PHE 22 -7.938 -1.826 4.911
118 HB2 PHE 22 1HB PHE 22 -6.337 -1.406 2.382
119 HB3 PHE 22 2HB PHE 22 -7.219 -0.188 3.297
120 HD1 PHE 22 HD2 PHE 22 -4.238 -2.325 3.233
121 HD2 PHE 22 HD1 PHE 22 -6.295 0.794 5.271
122 HE1 PHE 22 HE2 PHE 22 -2.206 -1.838 4.532
123 HE2 PHE 22 HE1 PHE 22 -4.266 1.286 6.573
124 HZ PHE 22 HZ PHE 22 -2.219 -0.031 6.205
125 H CYS 23 H CYS 23 -9.999 -2.247 4.480
126 HA CYS 23 HA CYS 23 -11.010 -3.881 2.501
127 HB2 CYS 23 1HB CYS 23 -12.291 -3.071 4.465
128 HB3 CYS 23 2HB CYS 23 -12.395 -1.481 3.717
129 HG CYS 23 HG CYS 23 -14.875 -2.592 3.377
130 H TYR 24 H TYR 24 -10.468 -0.386 2.405
131 HA TYR 24 HA TYR 24 -11.090 -0.430 -0.473
132 HB2 TYR 24 1HB TYR 24 -11.094 2.189 0.037
133 HB3 TYR 24 2HB TYR 24 -12.522 1.187 0.276
134 HD1 TYR 24 HD2 TYR 24 -12.805 0.166 2.663
135 HD2 TYR 24 HD1 TYR 24 -10.324 3.509 1.783
136 HE1 TYR 24 HE2 TYR 24 -12.892 0.845 5.025
137 HE2 TYR 24 HE1 TYR 24 -10.403 4.196 4.144
138 HH TYR 24 HH TYR 24 -12.559 2.726 6.414
139 H ILE 25 H ILE 25 -9.477 -0.141 -1.860
140 HA ILE 25 HA ILE 25 -6.819 -0.122 -1.262
141 HB ILE 25 HB ILE 25 -7.708 -0.466 -3.534
142 HG12 ILE 25 1HG1 ILE 25 -5.917 0.844 -4.740
143 HG13 ILE 25 2HG1 ILE 25 -5.577 1.653 -3.215
144 HG21 ILE 25 1HG2 ILE 25 -9.257 1.562 -3.341
145 HG22 ILE 25 2HG2 ILE 25 -7.858 2.514 -3.836
146 HG23 ILE 25 3HG2 ILE 25 -8.493 1.260 -4.902
147 HD11 ILE 25 3HD1 ILE 25 -4.125 0.029 -2.820
148 HD12 ILE 25 1HD1 ILE 25 -5.509 -1.036 -2.578
149 HD13 ILE 25 2HD1 ILE 25 -4.736 -0.940 -4.160
150 H SER 26 H SER 26 -8.826 2.746 -1.891
151 HA SER 26 HA SER 26 -7.062 4.779 -1.819
152 HB2 SER 26 1HB SER 26 -9.812 4.496 -0.690
153 HB3 SER 26 2HB SER 26 -8.900 5.956 -0.307
154 HG SER 26 HG SER 26 -8.937 5.142 -2.968
155 H ALA 27 H ALA 27 -8.262 3.047 1.032
156 HA ALA 27 HA ALA 27 -6.863 4.588 2.944
157 HB1 ALA 27 3HB ALA 27 -8.648 2.401 2.966
158 HB2 ALA 27 1HB ALA 27 -7.220 1.919 3.883
159 HB3 ALA 27 2HB ALA 27 -8.103 3.379 4.329
160 H LEU 28 H LEU 28 -6.158 1.334 1.654
161 HA LEU 28 HA LEU 28 -3.760 0.859 2.898
162 HB2 LEU 28 1HB LEU 28 -4.527 -0.928 1.680
163 HB3 LEU 28 2HB LEU 28 -4.903 0.059 0.269
164 HG LEU 28 HG LEU 28 -2.459 0.220 -0.188
165 HD11 LEU 28 1HD1 LEU 28 -1.603 -2.066 1.257
166 HD12 LEU 28 2HD1 LEU 28 -2.291 -0.917 2.404
167 HD13 LEU 28 3HD1 LEU 28 -0.982 -0.417 1.333
168 HD21 LEU 28 3HD2 LEU 28 -3.734 -1.359 -1.437
169 HD22 LEU 28 1HD2 LEU 28 -3.745 -2.502 -0.094
170 HD23 LEU 28 2HD2 LEU 28 -2.239 -2.156 -0.945
171 H ARG 29 H ARG 29 -4.239 2.525 -0.211
172 HA ARG 29 HA ARG 29 -1.610 3.046 -0.858
173 HB2 ARG 29 1HB ARG 29 -3.928 4.940 -1.279
174 HB3 ARG 29 2HB ARG 29 -2.428 4.897 -2.197
175 HG2 ARG 29 1HG ARG 29 -4.120 2.451 -2.102
176 HG3 ARG 29 2HG ARG 29 -4.617 3.800 -3.125
177 HD2 ARG 29 1HD ARG 29 -3.321 2.662 -4.616
178 HD3 ARG 29 2HD ARG 29 -2.085 3.684 -3.882
179 HE ARG 29 HE ARG 29 -1.956 1.512 -2.339
180 HH11 ARG 29 1HH1 ARG 29 -2.077 1.853 -5.801
181 HH12 ARG 29 2HH1 ARG 29 -1.160 0.415 -6.105
182 HH21 ARG 29 1HH2 ARG 29 -0.748 -0.383 -2.726
183 HH22 ARG 29 2HH2 ARG 29 -0.405 -0.857 -4.356
184 H ILE 30 H ILE 30 -3.708 4.741 1.403
185 HA ILE 30 HA ILE 30 -2.014 6.957 1.862
186 HB ILE 30 HB ILE 30 -4.117 5.728 3.646
187 HG12 ILE 30 1HG1 ILE 30 -4.346 8.271 2.056
188 HG13 ILE 30 2HG1 ILE 30 -4.713 6.711 1.329
189 HG21 ILE 30 1HG2 ILE 30 -2.838 8.450 3.854
190 HG22 ILE 30 2HG2 ILE 30 -4.078 7.780 4.912
191 HG23 ILE 30 3HG2 ILE 30 -2.461 7.076 4.894
192 HD11 ILE 30 3HD1 ILE 30 -6.273 8.333 3.161
193 HD12 ILE 30 1HD1 ILE 30 -6.780 7.042 2.071
194 HD13 ILE 30 2HD1 ILE 30 -6.143 6.649 3.669
195 H HIS 31 H HIS 31 -2.471 3.918 3.655
196 HA HIS 31 HA HIS 31 -0.614 4.410 5.684
197 HB2 HIS 31 1HB HIS 31 -1.948 2.585 6.146
198 HB3 HIS 31 2HB HIS 31 -1.836 1.953 4.506
199 HD1 HIS 31 HD1 HIS 31 0.169 2.158 7.700
200 HD2 HIS 31 HD2 HIS 31 0.106 0.053 4.118
201 HE1 HIS 31 HE1 HIS 31 1.869 0.324 7.968
202 H GLN 32 H GLN 32 -0.202 2.946 2.491
203 HA GLN 32 HA GLN 32 2.376 2.012 2.664
204 HB2 GLN 32 1HB GLN 32 0.946 3.333 0.361
205 HB3 GLN 32 2HB GLN 32 2.535 2.599 0.198
206 HG2 GLN 32 1HG GLN 32 1.440 0.488 1.153
207 HG3 GLN 32 2HG GLN 32 -0.089 1.284 0.780
208 HE21 GLN 32 1HE2 GLN 32 0.009 2.319 -1.534
209 HE22 GLN 32 2HE2 GLN 32 0.534 1.235 -2.773
210 H ARG 33 H ARG 33 1.274 5.296 2.605
211 HA ARG 33 HA ARG 33 3.482 6.679 1.702
212 HB2 ARG 33 1HB ARG 33 1.571 7.376 3.936
213 HB3 ARG 33 2HB ARG 33 2.744 8.503 3.266
214 HG2 ARG 33 1HG ARG 33 1.680 8.371 1.096
215 HG3 ARG 33 2HG ARG 33 0.544 7.165 1.705
216 HD2 ARG 33 1HD ARG 33 -0.723 9.067 1.887
217 HD3 ARG 33 2HD ARG 33 0.020 9.019 3.485
218 HE ARG 33 HE ARG 33 1.757 10.532 2.138
219 HH11 ARG 33 1HH1 ARG 33 -1.718 10.634 2.314
220 HH12 ARG 33 2HH1 ARG 33 -1.811 12.346 2.064
221 HH21 ARG 33 1HH2 ARG 33 1.648 12.787 1.809
222 HH22 ARG 33 2HH2 ARG 33 0.104 13.569 1.776
223 H VAL 34 H VAL 34 3.196 4.738 4.501
224 HA VAL 34 HA VAL 34 5.330 5.993 5.979
225 HB VAL 34 HB VAL 34 5.091 4.199 7.568
226 HG11 VAL 34 1HG1 VAL 34 3.233 6.043 7.135
227 HG12 VAL 34 2HG1 VAL 34 2.249 4.612 6.819
228 HG13 VAL 34 3HG1 VAL 34 3.051 4.806 8.378
229 HG21 VAL 34 3HG2 VAL 34 3.090 2.538 6.827
230 HG22 VAL 34 1HG2 VAL 34 3.874 2.819 5.272
231 HG23 VAL 34 2HG2 VAL 34 4.803 2.172 6.624
232 H HIS 35 H HIS 35 4.965 3.307 3.761
233 HA HIS 35 HA HIS 35 7.676 2.375 4.211
234 HB2 HIS 35 1HB HIS 35 5.637 1.478 2.164
235 HB3 HIS 35 2HB HIS 35 7.148 0.660 2.550
236 HD1 HIS 35 HD1 HIS 35 7.289 -0.317 5.064
237 HD2 HIS 35 HD2 HIS 35 3.509 0.719 3.686
238 HE1 HIS 35 HE1 HIS 35 5.672 -1.471 6.606
239 H MET 36 H MET 36 6.697 5.039 2.859
240 HA MET 36 HA MET 36 8.219 4.812 0.366
241 HB2 MET 36 1HB MET 36 7.057 6.631 -0.436
242 HB3 MET 36 2HB MET 36 5.857 5.928 0.641
243 HG2 MET 36 1HG MET 36 6.827 7.535 2.406
244 HG3 MET 36 2HG MET 36 7.529 8.375 1.025
245 HE1 MET 36 3HE MET 36 4.642 9.521 -1.054
246 HE2 MET 36 1HE MET 36 6.102 8.532 -1.115
247 HE3 MET 36 2HE MET 36 4.516 7.762 -1.071
248 H GLY 37 H GLY 37 8.170 6.509 3.451
249 HA2 GLY 37 1HA GLY 37 10.196 8.379 2.949
250 HA3 GLY 37 2HA GLY 37 9.769 7.748 4.532
251 H GLU 38 H GLU 38 12.213 8.161 4.652
252 HA GLU 38 HA GLU 38 13.839 6.085 3.444
253 HB2 GLU 38 1HB GLU 38 14.552 8.306 5.367
254 HB3 GLU 38 2HB GLU 38 15.709 7.207 4.630
255 HG2 GLU 38 1HG GLU 38 14.792 8.045 2.393
256 HG3 GLU 38 2HG GLU 38 14.072 9.351 3.332
257 H LYS 39 H LYS 39 13.414 7.216 6.803
258 HA LYS 39 HA LYS 39 14.482 4.888 7.975
259 HB2 LYS 39 1HB LYS 39 12.751 7.116 9.019
260 HB3 LYS 39 2HB LYS 39 13.207 5.760 10.041
261 HG2 LYS 39 1HG LYS 39 15.340 7.235 8.582
262 HG3 LYS 39 2HG LYS 39 14.614 7.968 10.014
263 HD2 LYS 39 1HD LYS 39 15.699 5.162 10.003
264 HD3 LYS 39 2HD LYS 39 16.698 6.565 10.386
265 HE2 LYS 39 1HE LYS 39 14.130 5.895 11.811
266 HE3 LYS 39 2HE LYS 39 15.721 5.379 12.369
267 HZ1 LYS 39 3HZ LYS 39 16.350 7.549 12.827
268 HZ2 LYS 39 1HZ LYS 39 14.735 7.515 13.331
269 HZ3 LYS 39 2HZ LYS 39 15.145 8.227 11.853
270 H CYS 40 H CYS 40 13.518 3.058 7.110
271 HA CYS 40 HA CYS 40 10.693 2.651 7.842
272 HB2 CYS 40 1HB CYS 40 12.275 1.637 5.486
273 HB3 CYS 40 2HB CYS 40 10.770 0.877 5.990
274 HG CYS 40 HG CYS 40 10.838 4.215 5.334
275 H SER 41 H SER 41 12.746 2.217 9.685
276 HA SER 41 HA SER 41 12.397 -0.636 10.156
277 HB2 SER 41 1HB SER 41 15.052 0.704 9.751
278 HB3 SER 41 2HB SER 41 14.920 -0.666 10.853
279 HG SER 41 HG SER 41 15.292 -1.650 8.982
280 H GLY 42 H GLY 42 11.607 -0.805 12.140
281 HA2 GLY 42 1HA GLY 42 11.707 1.321 14.028
282 HA3 GLY 42 2HA GLY 42 11.088 -0.298 14.323
283 HA PRO 43 HA PRO 43 14.853 0.182 16.931
284 HB2 PRO 43 1HB PRO 43 13.805 -1.128 19.065
285 HB3 PRO 43 2HB PRO 43 13.551 0.597 18.778
286 HG2 PRO 43 1HG PRO 43 11.739 -1.709 18.181
287 HG3 PRO 43 2HG PRO 43 11.344 -0.127 18.876
288 HD2 PRO 43 1HD PRO 43 10.911 -0.722 16.271
289 HD3 PRO 43 2HD PRO 43 11.329 0.913 16.820
290 H SER 44 H SER 44 13.253 -2.288 15.372
291 HA SER 44 HA SER 44 15.307 -4.240 16.182
292 HB2 SER 44 1HB SER 44 12.948 -4.766 16.981
293 HB3 SER 44 2HB SER 44 12.521 -4.988 15.285
294 HG SER 44 HG SER 44 14.008 -6.660 15.160
295 H SER 45 H SER 45 16.447 -5.164 14.584
296 HA SER 45 HA SER 45 15.843 -4.332 11.847
297 HB2 SER 45 1HB SER 45 18.309 -5.277 13.259
298 HB3 SER 45 2HB SER 45 18.202 -5.452 11.508
299 HG SER 45 HG SER 45 18.920 -3.321 12.794
300 H GLY 46 H GLY 46 14.780 -5.668 10.553
301 HA2 GLY 46 1HA GLY 46 15.365 -8.538 10.677
302 HA3 GLY 46 2HA GLY 46 13.694 -8.030 10.872
Start of MODEL 4
1 H1 GLY 1 H GLY 1 4.716 -19.396 -4.287
2 HA2 GLY 1 1HA GLY 1 4.682 -18.828 -6.986
3 HA3 GLY 1 2HA GLY 1 5.936 -19.774 -6.197
4 H SER 2 H SER 2 5.437 -22.114 -5.878
5 HA SER 2 HA SER 2 3.983 -23.128 -8.229
6 HB2 SER 2 1HB SER 2 6.562 -23.515 -7.827
7 HB3 SER 2 2HB SER 2 5.987 -24.792 -6.755
8 HG SER 2 HG SER 2 4.856 -24.649 -9.296
9 H SER 3 H SER 3 4.701 -23.818 -4.823
10 HA SER 3 HA SER 3 2.132 -25.244 -4.661
11 HB2 SER 3 1HB SER 3 4.834 -26.120 -3.699
12 HB3 SER 3 2HB SER 3 3.391 -26.633 -2.824
13 HG SER 3 HG SER 3 4.110 -27.162 -5.505
14 H GLY 4 H GLY 4 1.311 -23.195 -3.897
15 HA2 GLY 4 1HA GLY 4 0.976 -23.025 -1.165
16 HA3 GLY 4 2HA GLY 4 2.339 -21.976 -1.529
17 H SER 5 H SER 5 -0.878 -22.654 -2.920
18 HA SER 5 HA SER 5 -1.179 -19.813 -3.514
19 HB2 SER 5 1HB SER 5 -3.013 -20.439 -4.918
20 HB3 SER 5 2HB SER 5 -1.729 -21.612 -5.208
21 HG SER 5 HG SER 5 -2.836 -23.122 -4.088
22 H SER 6 H SER 6 -2.804 -22.387 -1.701
23 HA SER 6 HA SER 6 -5.049 -21.191 -0.780
24 HB2 SER 6 1HB SER 6 -4.417 -23.459 -0.130
25 HB3 SER 6 2HB SER 6 -3.110 -22.829 0.873
26 HG SER 6 HG SER 6 -5.094 -21.577 1.806
27 H GLY 7 H GLY 7 -5.648 -19.721 0.774
28 HA2 GLY 7 1HA GLY 7 -5.154 -18.365 2.710
29 HA3 GLY 7 2HA GLY 7 -3.478 -18.308 2.183
30 H SER 8 H SER 8 -6.721 -17.108 1.571
31 HA SER 8 HA SER 8 -5.520 -14.809 0.179
32 HB2 SER 8 1HB SER 8 -6.770 -16.442 -1.340
33 HB3 SER 8 2HB SER 8 -8.239 -15.920 -0.516
34 HG SER 8 HG SER 8 -6.423 -14.160 -1.803
35 H GLY 9 H GLY 9 -8.552 -15.915 1.707
36 HA2 GLY 9 1HA GLY 9 -9.466 -14.879 3.653
37 HA3 GLY 9 2HA GLY 9 -8.590 -13.411 3.244
38 H GLU 10 H GLU 10 -10.298 -12.010 3.251
39 HA GLU 10 HA GLU 10 -12.518 -12.590 1.414
40 HB2 GLU 10 1HB GLU 10 -12.776 -11.927 3.963
41 HB3 GLU 10 2HB GLU 10 -12.591 -10.299 3.327
42 HG2 GLU 10 1HG GLU 10 -14.918 -10.793 3.490
43 HG3 GLU 10 2HG GLU 10 -14.477 -10.737 1.785
44 H LYS 11 H LYS 11 -13.367 -10.786 0.143
45 HA LYS 11 HA LYS 11 -11.445 -9.577 -1.452
46 HB2 LYS 11 1HB LYS 11 -14.368 -9.152 -1.024
47 HB3 LYS 11 2HB LYS 11 -13.482 -7.955 -1.958
48 HG2 LYS 11 1HG LYS 11 -14.232 -9.375 -3.599
49 HG3 LYS 11 2HG LYS 11 -12.617 -10.015 -3.285
50 HD2 LYS 11 1HD LYS 11 -13.924 -11.930 -3.300
51 HD3 LYS 11 2HD LYS 11 -13.827 -11.549 -1.580
52 HE2 LYS 11 1HE LYS 11 -16.013 -10.807 -1.488
53 HE3 LYS 11 2HE LYS 11 -16.075 -10.456 -3.214
54 HZ1 LYS 11 3HZ LYS 11 -17.229 -12.572 -2.166
55 HZ2 LYS 11 1HZ LYS 11 -15.699 -13.242 -2.434
56 HZ3 LYS 11 2HZ LYS 11 -16.574 -12.589 -3.726
57 H SER 12 H SER 12 -9.888 -8.494 -0.265
58 HA SER 12 HA SER 12 -10.534 -5.778 0.426
59 HB2 SER 12 1HB SER 12 -9.999 -7.823 2.533
60 HB3 SER 12 2HB SER 12 -9.315 -6.212 2.748
61 HG SER 12 HG SER 12 -11.331 -5.351 2.776
62 H HIS 13 H HIS 13 -8.787 -4.445 0.269
63 HA HIS 13 HA HIS 13 -6.459 -5.461 -1.010
64 HB2 HIS 13 1HB HIS 13 -6.838 -2.717 0.199
65 HB3 HIS 13 2HB HIS 13 -5.691 -3.173 -1.056
66 HD1 HIS 13 HD1 HIS 13 -6.634 -3.526 -3.452
67 HD2 HIS 13 HD2 HIS 13 -9.441 -2.238 -0.672
68 HE1 HIS 13 HE1 HIS 13 -8.624 -2.786 -4.799
69 H THR 14 H THR 14 -4.457 -5.884 -0.236
70 HA THR 14 HA THR 14 -3.992 -5.453 2.642
71 HB THR 14 HB THR 14 -3.317 -7.911 1.019
72 HG1 THR 14 HG1 THR 14 -5.456 -7.742 1.947
73 HG21 THR 14 3HG2 THR 14 -2.696 -8.288 3.747
74 HG22 THR 14 1HG2 THR 14 -1.925 -6.782 3.251
75 HG23 THR 14 2HG2 THR 14 -1.588 -8.275 2.376
76 H CYS 15 H CYS 15 -2.022 -4.690 3.222
77 HA CYS 15 HA CYS 15 -0.342 -3.624 1.152
78 HB2 CYS 15 1HB CYS 15 -0.816 -2.452 3.315
79 HB3 CYS 15 2HB CYS 15 0.158 -3.668 4.134
80 H ASP 16 H ASP 16 1.044 -4.870 0.090
81 HA ASP 16 HA ASP 16 2.039 -7.337 1.091
82 HB2 ASP 16 1HB ASP 16 3.352 -5.869 -1.170
83 HB3 ASP 16 2HB ASP 16 3.076 -7.598 -0.977
84 H GLU 17 H GLU 17 2.980 -4.122 1.580
85 HA GLU 17 HA GLU 17 5.784 -4.478 1.871
86 HB2 GLU 17 1HB GLU 17 4.088 -2.384 3.230
87 HB3 GLU 17 2HB GLU 17 5.802 -2.292 2.852
88 HG2 GLU 17 1HG GLU 17 4.935 -2.603 0.389
89 HG3 GLU 17 2HG GLU 17 3.444 -1.960 1.076
90 H CYS 18 H CYS 18 3.074 -4.504 4.155
91 HA CYS 18 HA CYS 18 4.861 -5.768 6.126
92 HB2 CYS 18 1HB CYS 18 3.491 -4.681 7.902
93 HB3 CYS 18 2HB CYS 18 4.379 -3.533 6.904
94 H GLY 19 H GLY 19 1.543 -5.442 4.935
95 HA2 GLY 19 1HA GLY 19 0.394 -7.583 4.478
96 HA3 GLY 19 2HA GLY 19 0.996 -8.131 6.035
97 H LYS 20 H LYS 20 -0.214 -4.893 5.551
98 HA LYS 20 HA LYS 20 -2.169 -5.266 7.624
99 HB2 LYS 20 1HB LYS 20 -1.247 -2.960 5.952
100 HB3 LYS 20 2HB LYS 20 -2.765 -2.830 6.832
101 HG2 LYS 20 1HG LYS 20 -0.341 -3.734 8.299
102 HG3 LYS 20 2HG LYS 20 -0.504 -2.025 7.889
103 HD2 LYS 20 1HD LYS 20 -2.497 -1.814 9.133
104 HD3 LYS 20 2HD LYS 20 -2.693 -3.564 9.262
105 HE2 LYS 20 1HE LYS 20 -0.635 -3.645 10.638
106 HE3 LYS 20 2HE LYS 20 -0.556 -1.885 10.572
107 HZ1 LYS 20 3HZ LYS 20 -1.587 -2.627 12.616
108 HZ2 LYS 20 1HZ LYS 20 -2.764 -3.482 11.753
109 HZ3 LYS 20 2HZ LYS 20 -2.715 -1.794 11.670
110 H ASN 21 H ASN 21 -4.374 -3.966 7.038
111 HA ASN 21 HA ASN 21 -5.420 -5.053 4.519
112 HB2 ASN 21 1HB ASN 21 -5.928 -6.493 6.612
113 HB3 ASN 21 2HB ASN 21 -7.044 -5.201 7.047
114 HD21 ASN 21 1HD2 ASN 21 -6.173 -7.069 4.154
115 HD22 ASN 21 2HD2 ASN 21 -7.800 -7.383 3.662
116 H PHE 22 H PHE 22 -6.898 -3.788 3.491
117 HA PHE 22 HA PHE 22 -8.072 -1.515 4.883
118 HB2 PHE 22 1HB PHE 22 -6.475 -1.125 2.346
119 HB3 PHE 22 2HB PHE 22 -7.274 0.122 3.298
120 HD1 PHE 22 HD2 PHE 22 -4.436 -2.202 3.166
121 HD2 PHE 22 HD1 PHE 22 -6.276 1.001 5.281
122 HE1 PHE 22 HE2 PHE 22 -2.371 -1.877 4.463
123 HE2 PHE 22 HE1 PHE 22 -4.213 1.333 6.580
124 HZ PHE 22 HZ PHE 22 -2.257 -0.108 6.173
125 H CYS 23 H CYS 23 -10.164 -1.774 4.475
126 HA CYS 23 HA CYS 23 -11.370 -3.280 2.544
127 HB2 CYS 23 1HB CYS 23 -12.383 -0.712 3.778
128 HB3 CYS 23 2HB CYS 23 -13.383 -1.838 2.868
129 HG CYS 23 HG CYS 23 -14.004 -2.274 5.505
130 H TYR 24 H TYR 24 -10.537 0.163 2.315
131 HA TYR 24 HA TYR 24 -11.111 0.046 -0.569
132 HB2 TYR 24 1HB TYR 24 -10.845 2.671 -0.169
133 HB3 TYR 24 2HB TYR 24 -12.369 1.833 0.102
134 HD1 TYR 24 HD2 TYR 24 -12.643 0.857 2.560
135 HD2 TYR 24 HD1 TYR 24 -10.066 4.070 1.493
136 HE1 TYR 24 HE2 TYR 24 -12.664 1.641 4.891
137 HE2 TYR 24 HE1 TYR 24 -10.079 4.863 3.821
138 HH TYR 24 HH TYR 24 -10.514 3.607 6.189
139 H ILE 25 H ILE 25 -9.460 0.051 -1.935
140 HA ILE 25 HA ILE 25 -6.814 -0.135 -1.291
141 HB ILE 25 HB ILE 25 -7.855 -0.507 -3.563
142 HG12 ILE 25 1HG1 ILE 25 -5.756 0.305 -4.782
143 HG13 ILE 25 2HG1 ILE 25 -5.252 0.982 -3.237
144 HG21 ILE 25 1HG2 ILE 25 -8.980 1.628 -3.804
145 HG22 ILE 25 2HG2 ILE 25 -7.430 2.469 -3.785
146 HG23 ILE 25 3HG2 ILE 25 -7.833 1.393 -5.122
147 HD11 ILE 25 3HD1 ILE 25 -4.188 -1.054 -3.259
148 HD12 ILE 25 1HD1 ILE 25 -5.653 -1.418 -2.349
149 HD13 ILE 25 2HD1 ILE 25 -5.536 -1.871 -4.049
150 H SER 26 H SER 26 -8.637 2.822 -1.955
151 HA SER 26 HA SER 26 -6.644 4.694 -2.084
152 HB2 SER 26 1HB SER 26 -9.337 4.910 -0.724
153 HB3 SER 26 2HB SER 26 -8.290 6.289 -1.057
154 HG SER 26 HG SER 26 -9.546 6.217 -2.810
155 H ALA 27 H ALA 27 -8.083 3.301 0.840
156 HA ALA 27 HA ALA 27 -6.687 4.851 2.715
157 HB1 ALA 27 3HB ALA 27 -8.506 2.696 2.771
158 HB2 ALA 27 1HB ALA 27 -7.117 2.229 3.753
159 HB3 ALA 27 2HB ALA 27 -7.989 3.720 4.109
160 H LEU 28 H LEU 28 -5.927 1.659 1.342
161 HA LEU 28 HA LEU 28 -3.623 1.095 2.760
162 HB2 LEU 28 1HB LEU 28 -4.298 -0.659 1.461
163 HB3 LEU 28 2HB LEU 28 -4.650 0.366 0.071
164 HG LEU 28 HG LEU 28 -2.163 0.584 -0.260
165 HD11 LEU 28 1HD1 LEU 28 -1.967 -0.470 2.233
166 HD12 LEU 28 2HD1 LEU 28 -0.666 -0.461 1.042
167 HD13 LEU 28 3HD1 LEU 28 -1.677 -1.893 1.232
168 HD21 LEU 28 3HD2 LEU 28 -2.578 -0.927 -1.828
169 HD22 LEU 28 1HD2 LEU 28 -3.940 -1.550 -0.897
170 HD23 LEU 28 2HD2 LEU 28 -2.324 -2.212 -0.646
171 H ARG 29 H ARG 29 -3.964 2.965 -0.236
172 HA ARG 29 HA ARG 29 -1.279 3.440 -0.760
173 HB2 ARG 29 1HB ARG 29 -3.530 5.404 -1.211
174 HB3 ARG 29 2HB ARG 29 -2.002 5.330 -2.078
175 HG2 ARG 29 1HG ARG 29 -3.740 2.926 -2.118
176 HG3 ARG 29 2HG ARG 29 -4.225 4.325 -3.077
177 HD2 ARG 29 1HD ARG 29 -1.545 2.949 -3.221
178 HD3 ARG 29 2HD ARG 29 -2.868 2.724 -4.364
179 HE ARG 29 HE ARG 29 -2.465 5.394 -4.417
180 HH11 ARG 29 1HH1 ARG 29 -0.344 2.656 -4.768
181 HH12 ARG 29 2HH1 ARG 29 0.754 3.477 -5.827
182 HH21 ARG 29 1HH2 ARG 29 -1.027 6.486 -5.811
183 HH22 ARG 29 2HH2 ARG 29 0.365 5.656 -6.419
184 H ILE 30 H ILE 30 -3.468 5.062 1.466
185 HA ILE 30 HA ILE 30 -1.758 7.228 2.104
186 HB ILE 30 HB ILE 30 -3.994 5.988 3.710
187 HG12 ILE 30 1HG1 ILE 30 -3.958 8.499 2.024
188 HG13 ILE 30 2HG1 ILE 30 -4.605 6.953 1.487
189 HG21 ILE 30 1HG2 ILE 30 -2.283 7.317 5.018
190 HG22 ILE 30 2HG2 ILE 30 -2.809 8.724 4.095
191 HG23 ILE 30 3HG2 ILE 30 -3.953 7.873 5.133
192 HD11 ILE 30 3HD1 ILE 30 -6.555 7.490 2.367
193 HD12 ILE 30 1HD1 ILE 30 -5.812 7.551 3.965
194 HD13 ILE 30 2HD1 ILE 30 -5.884 9.005 2.970
195 H HIS 31 H HIS 31 -2.268 4.045 3.567
196 HA HIS 31 HA HIS 31 -0.516 4.463 5.763
197 HB2 HIS 31 1HB HIS 31 -1.954 2.718 6.189
198 HB3 HIS 31 2HB HIS 31 -1.881 2.112 4.537
199 HD1 HIS 31 HD1 HIS 31 0.079 2.079 7.759
200 HD2 HIS 31 HD2 HIS 31 -0.033 0.120 4.097
201 HE1 HIS 31 HE1 HIS 31 1.654 0.133 7.990
202 H GLN 32 H GLN 32 -0.106 3.105 2.535
203 HA GLN 32 HA GLN 32 2.381 1.950 2.741
204 HB2 GLN 32 1HB GLN 32 1.047 3.433 0.494
205 HB3 GLN 32 2HB GLN 32 2.662 2.765 0.302
206 HG2 GLN 32 1HG GLN 32 1.545 0.571 1.162
207 HG3 GLN 32 2HG GLN 32 0.059 1.360 0.638
208 HE21 GLN 32 1HE2 GLN 32 0.347 2.423 -1.621
209 HE22 GLN 32 2HE2 GLN 32 1.047 1.395 -2.821
210 H ARG 33 H ARG 33 1.550 5.319 2.786
211 HA ARG 33 HA ARG 33 3.928 6.525 2.053
212 HB2 ARG 33 1HB ARG 33 2.066 7.406 4.267
213 HB3 ARG 33 2HB ARG 33 3.231 8.422 3.431
214 HG2 ARG 33 1HG ARG 33 1.996 8.033 1.324
215 HG3 ARG 33 2HG ARG 33 0.790 7.126 2.239
216 HD2 ARG 33 1HD ARG 33 1.538 10.005 2.740
217 HD3 ARG 33 2HD ARG 33 0.133 9.474 1.815
218 HE ARG 33 HE ARG 33 -0.142 8.217 4.212
219 HH11 ARG 33 1HH1 ARG 33 0.292 11.530 3.232
220 HH12 ARG 33 2HH1 ARG 33 -0.588 12.179 4.575
221 HH21 ARG 33 1HH2 ARG 33 -1.304 9.061 5.985
222 HH22 ARG 33 2HH2 ARG 33 -1.495 10.774 6.141
223 H VAL 34 H VAL 34 3.058 4.960 5.071
224 HA VAL 34 HA VAL 34 5.203 5.873 6.645
225 HB VAL 34 HB VAL 34 4.704 4.103 8.165
226 HG11 VAL 34 1HG1 VAL 34 2.974 5.955 7.675
227 HG12 VAL 34 2HG1 VAL 34 2.026 4.658 6.944
228 HG13 VAL 34 3HG1 VAL 34 2.480 4.569 8.646
229 HG21 VAL 34 3HG2 VAL 34 3.749 2.739 5.727
230 HG22 VAL 34 1HG2 VAL 34 4.562 2.088 7.151
231 HG23 VAL 34 2HG2 VAL 34 2.832 2.431 7.202
232 H HIS 35 H HIS 35 4.987 3.415 4.199
233 HA HIS 35 HA HIS 35 7.453 2.115 4.927
234 HB2 HIS 35 1HB HIS 35 5.612 1.882 2.549
235 HB3 HIS 35 2HB HIS 35 7.126 0.990 2.660
236 HD1 HIS 35 HD1 HIS 35 7.287 -0.776 4.643
237 HD2 HIS 35 HD2 HIS 35 3.506 0.790 3.930
238 HE1 HIS 35 HE1 HIS 35 5.688 -2.316 5.824
239 H MET 36 H MET 36 6.435 4.652 2.750
240 HA MET 36 HA MET 36 8.571 4.774 0.997
241 HB2 MET 36 1HB MET 36 6.686 6.803 2.111
242 HB3 MET 36 2HB MET 36 8.068 7.365 1.181
243 HG2 MET 36 1HG MET 36 6.198 7.175 -0.282
244 HG3 MET 36 2HG MET 36 7.348 5.900 -0.680
245 HE1 MET 36 3HE MET 36 5.084 4.582 -2.056
246 HE2 MET 36 1HE MET 36 6.604 3.934 -1.438
247 HE3 MET 36 2HE MET 36 5.088 3.095 -1.106
248 H GLY 37 H GLY 37 8.245 6.423 4.143
249 HA2 GLY 37 1HA GLY 37 10.006 6.674 5.700
250 HA3 GLY 37 2HA GLY 37 11.158 6.342 4.415
251 H GLU 38 H GLU 38 11.234 8.054 2.659
252 HA GLU 38 HA GLU 38 10.493 10.725 3.470
253 HB2 GLU 38 1HB GLU 38 13.366 9.819 3.432
254 HB3 GLU 38 2HB GLU 38 12.916 11.507 3.237
255 HG2 GLU 38 1HG GLU 38 11.556 11.018 5.453
256 HG3 GLU 38 2HG GLU 38 12.787 9.770 5.634
257 H LYS 39 H LYS 39 10.293 12.082 1.760
258 HA LYS 39 HA LYS 39 11.552 11.417 -0.780
259 HB2 LYS 39 1HB LYS 39 9.400 11.568 -1.999
260 HB3 LYS 39 2HB LYS 39 9.476 10.183 -0.918
261 HG2 LYS 39 1HG LYS 39 8.307 11.842 0.754
262 HG3 LYS 39 2HG LYS 39 7.817 12.642 -0.741
263 HD2 LYS 39 1HD LYS 39 7.463 9.689 -0.475
264 HD3 LYS 39 2HD LYS 39 6.319 10.773 0.321
265 HE2 LYS 39 1HE LYS 39 7.030 10.948 -2.601
266 HE3 LYS 39 2HE LYS 39 5.663 10.021 -1.985
267 HZ1 LYS 39 3HZ LYS 39 5.951 12.866 -1.281
268 HZ2 LYS 39 1HZ LYS 39 4.550 11.919 -1.350
269 HZ3 LYS 39 2HZ LYS 39 5.297 12.430 -2.779
270 H CYS 40 H CYS 40 11.321 13.146 -2.382
271 HA CYS 40 HA CYS 40 10.785 15.759 -1.132
272 HB2 CYS 40 1HB CYS 40 13.058 14.910 -2.915
273 HB3 CYS 40 2HB CYS 40 12.603 16.601 -2.745
274 HG CYS 40 HG CYS 40 14.262 16.916 -0.814
275 H SER 41 H SER 41 8.703 15.866 -2.003
276 HA SER 41 HA SER 41 8.638 16.345 -4.906
277 HB2 SER 41 1HB SER 41 6.614 14.827 -3.249
278 HB3 SER 41 2HB SER 41 6.302 15.395 -4.890
279 HG SER 41 HG SER 41 7.186 13.141 -4.487
280 H GLY 42 H GLY 42 8.027 18.349 -5.355
281 HA2 GLY 42 1HA GLY 42 7.284 20.271 -3.516
282 HA3 GLY 42 2HA GLY 42 6.945 20.373 -5.238
283 HA PRO 43 HA PRO 43 2.663 20.288 -4.260
284 HB2 PRO 43 1HB PRO 43 1.682 19.463 -6.653
285 HB3 PRO 43 2HB PRO 43 2.313 21.092 -6.383
286 HG2 PRO 43 1HG PRO 43 3.650 18.726 -7.640
287 HG3 PRO 43 2HG PRO 43 3.660 20.423 -8.157
288 HD2 PRO 43 1HD PRO 43 5.720 19.298 -6.805
289 HD3 PRO 43 2HD PRO 43 5.281 21.009 -6.626
290 H SER 44 H SER 44 2.882 18.507 -2.738
291 HA SER 44 HA SER 44 2.478 15.818 -3.760
292 HB2 SER 44 1HB SER 44 3.979 16.433 -1.769
293 HB3 SER 44 2HB SER 44 2.484 16.628 -0.854
294 HG SER 44 HG SER 44 3.782 14.399 -1.311
295 H SER 45 H SER 45 0.748 14.449 -2.881
296 HA SER 45 HA SER 45 -1.776 15.393 -3.421
297 HB2 SER 45 1HB SER 45 -2.629 13.398 -2.237
298 HB3 SER 45 2HB SER 45 -1.259 13.005 -3.276
299 HG SER 45 HG SER 45 -0.628 12.081 -1.462
300 H GLY 46 H GLY 46 -0.164 15.189 -0.267
301 HA2 GLY 46 1HA GLY 46 -0.477 16.832 1.428
302 HA3 GLY 46 2HA GLY 46 -2.048 17.206 0.734
Start of MODEL 5
1 H1 GLY 1 H GLY 1 3.391 -22.462 3.599
2 HA2 GLY 1 1HA GLY 1 0.997 -23.226 3.126
3 HA3 GLY 1 2HA GLY 1 1.700 -24.837 3.157
4 H SER 2 H SER 2 1.375 -21.902 5.135
5 HA SER 2 HA SER 2 1.756 -23.457 7.564
6 HB2 SER 2 1HB SER 2 1.335 -20.501 7.084
7 HB3 SER 2 2HB SER 2 1.503 -21.215 8.687
8 HG SER 2 HG SER 2 3.435 -21.653 6.678
9 H SER 3 H SER 3 0.106 -24.465 8.478
10 HA SER 3 HA SER 3 -1.976 -24.959 9.249
11 HB2 SER 3 1HB SER 3 -1.744 -22.573 10.139
12 HB3 SER 3 2HB SER 3 -2.735 -22.078 8.766
13 HG SER 3 HG SER 3 -3.782 -22.651 10.898
14 H GLY 4 H GLY 4 -1.463 -25.471 6.570
15 HA2 GLY 4 1HA GLY 4 -3.001 -24.592 4.559
16 HA3 GLY 4 2HA GLY 4 -2.754 -26.311 4.831
17 H SER 5 H SER 5 -4.208 -26.325 7.359
18 HA SER 5 HA SER 5 -6.881 -26.512 6.237
19 HB2 SER 5 1HB SER 5 -7.438 -27.605 8.406
20 HB3 SER 5 2HB SER 5 -6.099 -28.388 7.567
21 HG SER 5 HG SER 5 -5.080 -28.102 9.380
22 H SER 6 H SER 6 -6.262 -23.917 6.274
23 HA SER 6 HA SER 6 -8.242 -22.809 8.008
24 HB2 SER 6 1HB SER 6 -6.924 -21.465 9.426
25 HB3 SER 6 2HB SER 6 -6.119 -23.034 9.455
26 HG SER 6 HG SER 6 -4.864 -20.948 9.044
27 H GLY 7 H GLY 7 -8.368 -20.380 7.732
28 HA2 GLY 7 1HA GLY 7 -7.644 -18.473 6.367
29 HA3 GLY 7 2HA GLY 7 -7.377 -19.613 5.056
30 H SER 8 H SER 8 -9.557 -17.467 6.487
31 HA SER 8 HA SER 8 -11.941 -18.652 5.349
32 HB2 SER 8 1HB SER 8 -13.061 -16.602 6.226
33 HB3 SER 8 2HB SER 8 -12.163 -17.483 7.462
34 HG SER 8 HG SER 8 -10.553 -15.960 7.363
35 H GLY 9 H GLY 9 -9.912 -15.796 4.773
36 HA2 GLY 9 1HA GLY 9 -9.435 -14.846 2.687
37 HA3 GLY 9 2HA GLY 9 -10.708 -15.827 1.974
38 H GLU 10 H GLU 10 -9.916 -12.797 2.216
39 HA GLU 10 HA GLU 10 -12.685 -11.894 2.289
40 HB2 GLU 10 1HB GLU 10 -11.817 -11.591 4.594
41 HB3 GLU 10 2HB GLU 10 -10.534 -10.574 3.953
42 HG2 GLU 10 1HG GLU 10 -12.115 -8.927 3.231
43 HG3 GLU 10 2HG GLU 10 -13.467 -9.975 3.658
44 H LYS 11 H LYS 11 -13.096 -10.436 0.746
45 HA LYS 11 HA LYS 11 -11.013 -9.683 -1.070
46 HB2 LYS 11 1HB LYS 11 -13.911 -8.822 -0.960
47 HB3 LYS 11 2HB LYS 11 -12.813 -8.536 -2.304
48 HG2 LYS 11 1HG LYS 11 -12.705 -10.830 -2.836
49 HG3 LYS 11 2HG LYS 11 -13.465 -11.295 -1.312
50 HD2 LYS 11 1HD LYS 11 -15.502 -10.005 -2.096
51 HD3 LYS 11 2HD LYS 11 -14.727 -9.930 -3.680
52 HE2 LYS 11 1HE LYS 11 -15.156 -12.527 -2.231
53 HE3 LYS 11 2HE LYS 11 -16.391 -11.822 -3.274
54 HZ1 LYS 11 3HZ LYS 11 -14.945 -11.962 -5.134
55 HZ2 LYS 11 1HZ LYS 11 -14.916 -13.474 -4.375
56 HZ3 LYS 11 2HZ LYS 11 -13.624 -12.401 -4.173
57 H SER 12 H SER 12 -9.577 -8.351 0.006
58 HA SER 12 HA SER 12 -10.387 -5.587 0.221
59 HB2 SER 12 1HB SER 12 -9.499 -7.159 2.643
60 HB3 SER 12 2HB SER 12 -9.415 -5.399 2.564
61 HG SER 12 HG SER 12 -11.363 -6.113 3.520
62 H HIS 13 H HIS 13 -8.667 -4.151 0.091
63 HA HIS 13 HA HIS 13 -6.333 -5.108 -1.185
64 HB2 HIS 13 1HB HIS 13 -6.871 -2.392 0.036
65 HB3 HIS 13 2HB HIS 13 -5.560 -2.771 -1.078
66 HD1 HIS 13 HD1 HIS 13 -6.157 -3.036 -3.567
67 HD2 HIS 13 HD2 HIS 13 -9.412 -2.161 -1.138
68 HE1 HIS 13 HE1 HIS 13 -8.022 -2.420 -5.138
69 H THR 14 H THR 14 -4.756 -6.187 -0.213
70 HA THR 14 HA THR 14 -4.084 -5.528 2.572
71 HB THR 14 HB THR 14 -3.435 -8.012 0.973
72 HG1 THR 14 HG1 THR 14 -5.313 -8.642 1.692
73 HG21 THR 14 3HG2 THR 14 -3.125 -8.129 3.869
74 HG22 THR 14 1HG2 THR 14 -2.018 -6.988 3.106
75 HG23 THR 14 2HG2 THR 14 -2.037 -8.675 2.594
76 H CYS 15 H CYS 15 -2.116 -4.771 3.115
77 HA CYS 15 HA CYS 15 -0.376 -3.855 1.028
78 HB2 CYS 15 1HB CYS 15 -0.787 -2.556 3.101
79 HB3 CYS 15 2HB CYS 15 0.038 -3.807 4.025
80 H ASP 16 H ASP 16 1.215 -4.961 0.121
81 HA ASP 16 HA ASP 16 2.035 -7.510 1.181
82 HB2 ASP 16 1HB ASP 16 1.767 -6.763 -1.316
83 HB3 ASP 16 2HB ASP 16 3.411 -6.163 -1.117
84 H GLU 17 H GLU 17 2.980 -4.342 1.704
85 HA GLU 17 HA GLU 17 5.797 -4.742 2.002
86 HB2 GLU 17 1HB GLU 17 4.136 -2.550 3.244
87 HB3 GLU 17 2HB GLU 17 5.858 -2.519 2.891
88 HG2 GLU 17 1HG GLU 17 3.818 -2.828 0.719
89 HG3 GLU 17 2HG GLU 17 4.288 -1.244 1.335
90 H CYS 18 H CYS 18 3.039 -4.623 4.220
91 HA CYS 18 HA CYS 18 4.744 -5.872 6.270
92 HB2 CYS 18 1HB CYS 18 3.454 -4.643 7.992
93 HB3 CYS 18 2HB CYS 18 4.352 -3.566 6.927
94 H GLY 19 H GLY 19 1.519 -5.500 4.902
95 HA2 GLY 19 1HA GLY 19 0.302 -7.627 4.563
96 HA3 GLY 19 2HA GLY 19 0.774 -8.048 6.203
97 H LYS 20 H LYS 20 -0.009 -4.772 5.849
98 HA LYS 20 HA LYS 20 -2.110 -4.817 7.668
99 HB2 LYS 20 1HB LYS 20 -1.102 -2.836 5.680
100 HB3 LYS 20 2HB LYS 20 -2.673 -2.541 6.414
101 HG2 LYS 20 1HG LYS 20 -0.223 -3.099 8.054
102 HG3 LYS 20 2HG LYS 20 -0.660 -1.473 7.523
103 HD2 LYS 20 1HD LYS 20 -2.566 -1.417 8.835
104 HD3 LYS 20 2HD LYS 20 -2.680 -3.176 8.922
105 HE2 LYS 20 1HE LYS 20 -0.313 -1.825 10.126
106 HE3 LYS 20 2HE LYS 20 -1.854 -1.755 10.980
107 HZ1 LYS 20 3HZ LYS 20 -0.484 -3.642 11.674
108 HZ2 LYS 20 1HZ LYS 20 -0.512 -4.253 10.097
109 HZ3 LYS 20 2HZ LYS 20 -1.945 -4.150 10.990
110 H ASN 21 H ASN 21 -4.333 -3.725 6.988
111 HA ASN 21 HA ASN 21 -5.387 -5.071 4.602
112 HB2 ASN 21 1HB ASN 21 -5.790 -6.269 6.918
113 HB3 ASN 21 2HB ASN 21 -7.046 -5.046 7.092
114 HD21 ASN 21 1HD2 ASN 21 -6.149 -7.992 5.661
115 HD22 ASN 21 2HD2 ASN 21 -7.578 -8.244 4.723
116 H PHE 22 H PHE 22 -6.867 -3.921 3.474
117 HA PHE 22 HA PHE 22 -8.234 -1.669 4.682
118 HB2 PHE 22 1HB PHE 22 -6.477 -1.192 2.272
119 HB3 PHE 22 2HB PHE 22 -7.381 0.005 3.193
120 HD1 PHE 22 HD1 PHE 22 -6.624 0.686 5.423
121 HD2 PHE 22 HD2 PHE 22 -4.353 -1.983 3.008
122 HE1 PHE 22 HE1 PHE 22 -4.653 1.086 6.841
123 HE2 PHE 22 HE2 PHE 22 -2.378 -1.589 4.422
124 HZ PHE 22 HZ PHE 22 -2.527 -0.053 6.342
125 H CYS 23 H CYS 23 -10.260 -2.039 4.082
126 HA CYS 23 HA CYS 23 -11.052 -3.597 1.893
127 HB2 CYS 23 1HB CYS 23 -12.421 -3.030 3.947
128 HB3 CYS 23 2HB CYS 23 -12.731 -1.462 3.212
129 HG CYS 23 HG CYS 23 -14.920 -2.340 2.192
130 H TYR 24 H TYR 24 -10.338 -0.203 2.172
131 HA TYR 24 HA TYR 24 -11.122 0.171 -0.644
132 HB2 TYR 24 1HB TYR 24 -10.963 2.700 0.180
133 HB3 TYR 24 2HB TYR 24 -12.433 1.750 0.369
134 HD1 TYR 24 HD2 TYR 24 -12.650 0.449 2.632
135 HD2 TYR 24 HD1 TYR 24 -10.062 3.772 2.027
136 HE1 TYR 24 HE2 TYR 24 -12.594 0.840 5.059
137 HE2 TYR 24 HE1 TYR 24 -9.999 4.172 4.453
138 HH TYR 24 HH TYR 24 -10.955 1.956 6.706
139 H ILE 25 H ILE 25 -9.414 0.131 -1.936
140 HA ILE 25 HA ILE 25 -6.783 0.113 -1.395
141 HB ILE 25 HB ILE 25 -7.802 -0.085 -3.673
142 HG12 ILE 25 1HG1 ILE 25 -5.823 1.260 -4.777
143 HG13 ILE 25 2HG1 ILE 25 -5.319 1.488 -3.105
144 HG21 ILE 25 1HG2 ILE 25 -9.078 2.078 -3.470
145 HG22 ILE 25 2HG2 ILE 25 -7.557 2.911 -3.783
146 HG23 ILE 25 3HG2 ILE 25 -8.237 1.832 -5.000
147 HD11 ILE 25 3HD1 ILE 25 -5.524 -1.040 -4.683
148 HD12 ILE 25 1HD1 ILE 25 -4.156 -0.396 -3.776
149 HD13 ILE 25 2HD1 ILE 25 -5.545 -1.066 -2.920
150 H SER 26 H SER 26 -8.678 3.078 -1.905
151 HA SER 26 HA SER 26 -6.826 5.033 -1.803
152 HB2 SER 26 1HB SER 26 -9.404 5.032 -0.214
153 HB3 SER 26 2HB SER 26 -8.481 6.462 -0.674
154 HG SER 26 HG SER 26 -8.805 5.673 -2.905
155 H ALA 27 H ALA 27 -8.149 3.388 1.059
156 HA ALA 27 HA ALA 27 -6.667 4.771 2.988
157 HB1 ALA 27 3HB ALA 27 -6.999 2.220 4.019
158 HB2 ALA 27 1HB ALA 27 -8.106 3.581 4.197
159 HB3 ALA 27 2HB ALA 27 -8.345 2.414 2.896
160 H LEU 28 H LEU 28 -5.982 1.646 1.418
161 HA LEU 28 HA LEU 28 -3.622 0.996 2.666
162 HB2 LEU 28 1HB LEU 28 -4.391 -0.637 1.247
163 HB3 LEU 28 2HB LEU 28 -4.713 0.501 -0.059
164 HG LEU 28 HG LEU 28 -2.232 0.670 -0.398
165 HD11 LEU 28 1HD1 LEU 28 -2.179 -0.762 2.019
166 HD12 LEU 28 2HD1 LEU 28 -0.814 -0.285 1.011
167 HD13 LEU 28 3HD1 LEU 28 -1.577 -1.856 0.774
168 HD21 LEU 28 3HD2 LEU 28 -2.064 -1.562 -1.498
169 HD22 LEU 28 1HD2 LEU 28 -3.531 -0.667 -1.896
170 HD23 LEU 28 2HD2 LEU 28 -3.596 -1.996 -0.738
171 H ARG 29 H ARG 29 -4.041 3.050 -0.205
172 HA ARG 29 HA ARG 29 -1.368 3.581 -0.735
173 HB2 ARG 29 1HB ARG 29 -3.646 5.539 -1.056
174 HB3 ARG 29 2HB ARG 29 -2.127 5.530 -1.943
175 HG2 ARG 29 1HG ARG 29 -4.175 3.328 -2.070
176 HG3 ARG 29 2HG ARG 29 -4.061 4.657 -3.226
177 HD2 ARG 29 1HD ARG 29 -1.997 2.535 -2.666
178 HD3 ARG 29 2HD ARG 29 -2.935 2.749 -4.143
179 HE ARG 29 HE ARG 29 -1.521 5.101 -3.722
180 HH11 ARG 29 1HH1 ARG 29 -0.847 1.746 -4.360
181 HH12 ARG 29 2HH1 ARG 29 0.639 2.068 -5.190
182 HH21 ARG 29 1HH2 ARG 29 0.434 5.538 -4.813
183 HH22 ARG 29 2HH2 ARG 29 1.367 4.225 -5.447
184 H ILE 30 H ILE 30 -3.603 5.267 1.441
185 HA ILE 30 HA ILE 30 -1.851 7.323 2.219
186 HB ILE 30 HB ILE 30 -4.158 6.076 3.714
187 HG12 ILE 30 1HG1 ILE 30 -4.050 8.740 2.305
188 HG13 ILE 30 2HG1 ILE 30 -4.546 7.264 1.485
189 HG21 ILE 30 1HG2 ILE 30 -4.114 7.943 5.206
190 HG22 ILE 30 2HG2 ILE 30 -2.508 7.215 5.197
191 HG23 ILE 30 3HG2 ILE 30 -2.806 8.703 4.299
192 HD11 ILE 30 3HD1 ILE 30 -6.302 7.008 3.269
193 HD12 ILE 30 1HD1 ILE 30 -5.894 8.645 3.782
194 HD13 ILE 30 2HD1 ILE 30 -6.517 8.360 2.156
195 H HIS 31 H HIS 31 -2.293 4.041 3.390
196 HA HIS 31 HA HIS 31 -0.648 4.362 5.708
197 HB2 HIS 31 1HB HIS 31 -2.089 2.587 5.989
198 HB3 HIS 31 2HB HIS 31 -1.954 2.072 4.310
199 HD1 HIS 31 HD1 HIS 31 -0.114 1.873 7.594
200 HD2 HIS 31 HD2 HIS 31 -0.062 0.131 3.823
201 HE1 HIS 31 HE1 HIS 31 1.476 -0.067 7.772
202 H GLN 32 H GLN 32 -0.148 3.139 2.431
203 HA GLN 32 HA GLN 32 2.357 2.025 2.657
204 HB2 GLN 32 1HB GLN 32 1.048 3.551 0.422
205 HB3 GLN 32 2HB GLN 32 2.672 2.900 0.248
206 HG2 GLN 32 1HG GLN 32 1.604 0.668 0.982
207 HG3 GLN 32 2HG GLN 32 0.080 1.446 0.558
208 HE21 GLN 32 1HE2 GLN 32 0.249 2.626 -1.652
209 HE22 GLN 32 2HE2 GLN 32 0.925 1.681 -2.930
210 H ARG 33 H ARG 33 1.459 5.331 2.952
211 HA ARG 33 HA ARG 33 3.780 6.665 2.229
212 HB2 ARG 33 1HB ARG 33 1.890 7.299 4.503
213 HB3 ARG 33 2HB ARG 33 3.074 8.413 3.832
214 HG2 ARG 33 1HG ARG 33 1.931 8.438 1.717
215 HG3 ARG 33 2HG ARG 33 0.810 7.192 2.270
216 HD2 ARG 33 1HD ARG 33 -0.337 8.639 3.638
217 HD3 ARG 33 2HD ARG 33 1.047 9.714 3.837
218 HE ARG 33 HE ARG 33 -1.003 9.979 1.930
219 HH11 ARG 33 1HH1 ARG 33 2.457 10.232 2.222
220 HH12 ARG 33 2HH1 ARG 33 2.609 11.403 0.953
221 HH21 ARG 33 1HH2 ARG 33 -0.816 11.520 0.258
222 HH22 ARG 33 2HH2 ARG 33 0.747 12.135 -0.162
223 H VAL 34 H VAL 34 3.146 4.644 4.969
224 HA VAL 34 HA VAL 34 5.307 5.576 6.592
225 HB VAL 34 HB VAL 34 4.857 3.738 8.035
226 HG11 VAL 34 1HG1 VAL 34 2.804 4.390 8.700
227 HG12 VAL 34 2HG1 VAL 34 2.986 5.581 7.411
228 HG13 VAL 34 3HG1 VAL 34 2.082 4.094 7.119
229 HG21 VAL 34 3HG2 VAL 34 3.191 1.956 7.286
230 HG22 VAL 34 1HG2 VAL 34 3.501 2.526 5.645
231 HG23 VAL 34 2HG2 VAL 34 4.820 1.868 6.614
232 H HIS 35 H HIS 35 4.954 3.217 4.053
233 HA HIS 35 HA HIS 35 7.523 1.987 4.582
234 HB2 HIS 35 1HB HIS 35 5.518 1.609 2.351
235 HB3 HIS 35 2HB HIS 35 7.023 0.705 2.484
236 HD1 HIS 35 HD1 HIS 35 7.234 -0.728 4.806
237 HD2 HIS 35 HD2 HIS 35 3.428 0.474 3.654
238 HE1 HIS 35 HE1 HIS 35 5.648 -2.197 6.090
239 H MET 36 H MET 36 6.936 4.910 3.612
240 HA MET 36 HA MET 36 8.813 4.892 1.346
241 HB2 MET 36 1HB MET 36 6.689 6.855 2.186
242 HB3 MET 36 2HB MET 36 7.947 7.283 1.035
243 HG2 MET 36 1HG MET 36 7.120 5.073 -0.148
244 HG3 MET 36 2HG MET 36 5.641 5.445 0.734
245 HE1 MET 36 3HE MET 36 3.978 7.334 0.102
246 HE2 MET 36 1HE MET 36 5.204 8.368 0.836
247 HE3 MET 36 2HE MET 36 4.493 8.810 -0.717
248 H GLY 37 H GLY 37 10.803 5.667 1.636
249 HA2 GLY 37 1HA GLY 37 11.329 7.792 3.526
250 HA3 GLY 37 2HA GLY 37 12.010 6.238 3.985
251 H GLU 38 H GLU 38 13.667 8.371 3.593
252 HA GLU 38 HA GLU 38 14.677 8.782 1.039
253 HB2 GLU 38 1HB GLU 38 16.206 8.741 3.647
254 HB3 GLU 38 2HB GLU 38 16.767 9.465 2.147
255 HG2 GLU 38 1HG GLU 38 14.855 11.019 2.217
256 HG3 GLU 38 2HG GLU 38 14.385 10.329 3.770
257 H LYS 39 H LYS 39 15.111 7.148 -0.313
258 HA LYS 39 HA LYS 39 16.057 4.607 0.439
259 HB2 LYS 39 1HB LYS 39 16.314 4.170 -1.898
260 HB3 LYS 39 2HB LYS 39 14.881 5.170 -1.704
261 HG2 LYS 39 1HG LYS 39 15.835 6.981 -2.716
262 HG3 LYS 39 2HG LYS 39 17.474 6.513 -2.257
263 HD2 LYS 39 1HD LYS 39 17.498 6.067 -4.516
264 HD3 LYS 39 2HD LYS 39 17.026 4.495 -3.864
265 HE2 LYS 39 1HE LYS 39 14.932 6.493 -4.611
266 HE3 LYS 39 2HE LYS 39 15.713 5.532 -5.865
267 HZ1 LYS 39 3HZ LYS 39 15.092 3.543 -4.458
268 HZ2 LYS 39 1HZ LYS 39 13.819 4.333 -5.244
269 HZ3 LYS 39 2HZ LYS 39 14.077 4.582 -3.591
270 H CYS 40 H CYS 40 17.662 7.585 0.152
271 HA CYS 40 HA CYS 40 20.267 6.209 0.211
272 HB2 CYS 40 1HB CYS 40 20.130 7.383 -1.881
273 HB3 CYS 40 2HB CYS 40 19.550 8.841 -1.087
274 HG CYS 40 HG CYS 40 22.578 7.718 -0.115
275 H SER 41 H SER 41 20.265 6.152 2.476
276 HA SER 41 HA SER 41 19.899 8.533 4.032
277 HB2 SER 41 1HB SER 41 20.716 5.709 4.635
278 HB3 SER 41 2HB SER 41 20.935 6.964 5.854
279 HG SER 41 HG SER 41 18.618 5.804 4.899
280 H GLY 42 H GLY 42 21.733 8.913 5.786
281 HA2 GLY 42 1HA GLY 42 23.753 10.353 4.739
282 HA3 GLY 42 2HA GLY 42 23.931 9.483 6.255
283 HA PRO 43 HA PRO 43 26.571 7.729 2.621
284 HB2 PRO 43 1HB PRO 43 28.804 9.265 2.782
285 HB3 PRO 43 2HB PRO 43 27.449 9.649 1.715
286 HG2 PRO 43 1HG PRO 43 28.116 10.772 4.409
287 HG3 PRO 43 2HG PRO 43 27.563 11.616 2.951
288 HD2 PRO 43 1HD PRO 43 25.900 11.000 4.998
289 HD3 PRO 43 2HD PRO 43 25.357 11.049 3.308
290 H SER 44 H SER 44 27.947 9.240 5.549
291 HA SER 44 HA SER 44 29.920 7.308 6.011
292 HB2 SER 44 1HB SER 44 30.134 8.259 8.214
293 HB3 SER 44 2HB SER 44 29.793 9.573 7.089
294 HG SER 44 HG SER 44 28.537 9.284 9.219
295 H SER 45 H SER 45 30.012 5.501 7.332
296 HA SER 45 HA SER 45 27.471 4.511 8.422
297 HB2 SER 45 1HB SER 45 29.202 3.227 6.365
298 HB3 SER 45 2HB SER 45 28.474 2.182 7.584
299 HG SER 45 HG SER 45 27.241 2.637 5.564
300 H GLY 46 H GLY 46 27.939 4.612 10.547
301 HA2 GLY 46 1HA GLY 46 30.435 3.305 11.442
302 HA3 GLY 46 2HA GLY 46 29.682 4.651 12.286
Start of MODEL 6
1 H1 GLY 1 H GLY 1 1.979 -27.419 4.091
2 HA2 GLY 1 1HA GLY 1 1.629 -30.040 2.881
3 HA3 GLY 1 2HA GLY 1 1.411 -29.976 4.624
4 H SER 2 H SER 2 0.200 -27.425 4.785
5 HA SER 2 HA SER 2 -2.406 -28.041 3.564
6 HB2 SER 2 1HB SER 2 -1.710 -26.533 6.091
7 HB3 SER 2 2HB SER 2 -3.336 -26.599 5.411
8 HG SER 2 HG SER 2 -3.461 -28.719 5.870
9 H SER 3 H SER 3 -3.804 -25.988 3.321
10 HA SER 3 HA SER 3 -2.881 -24.436 1.278
11 HB2 SER 3 1HB SER 3 -4.667 -22.807 1.869
12 HB3 SER 3 2HB SER 3 -5.233 -24.477 1.892
13 HG SER 3 HG SER 3 -4.249 -23.419 4.275
14 H GLY 4 H GLY 4 -1.851 -22.484 1.027
15 HA2 GLY 4 1HA GLY 4 0.159 -21.773 2.800
16 HA3 GLY 4 2HA GLY 4 -0.472 -20.722 1.541
17 H SER 5 H SER 5 -2.266 -19.336 2.052
18 HA SER 5 HA SER 5 -2.409 -18.716 4.929
19 HB2 SER 5 1HB SER 5 -2.857 -16.378 4.257
20 HB3 SER 5 2HB SER 5 -1.300 -16.947 3.657
21 HG SER 5 HG SER 5 -2.809 -17.542 1.728
22 H SER 6 H SER 6 -4.307 -19.057 5.854
23 HA SER 6 HA SER 6 -6.689 -19.297 4.160
24 HB2 SER 6 1HB SER 6 -5.898 -20.420 6.818
25 HB3 SER 6 2HB SER 6 -7.612 -20.218 6.458
26 HG SER 6 HG SER 6 -6.321 -22.265 5.822
27 H GLY 7 H GLY 7 -7.059 -17.050 3.913
28 HA2 GLY 7 1HA GLY 7 -8.882 -15.921 5.687
29 HA3 GLY 7 2HA GLY 7 -7.306 -15.259 6.095
30 H SER 8 H SER 8 -8.823 -16.059 2.976
31 HA SER 8 HA SER 8 -8.635 -13.222 2.236
32 HB2 SER 8 1HB SER 8 -6.680 -14.452 1.306
33 HB3 SER 8 2HB SER 8 -7.793 -15.512 0.441
34 HG SER 8 HG SER 8 -6.832 -13.357 -0.503
35 H GLY 9 H GLY 9 -10.925 -13.233 2.667
36 HA2 GLY 9 1HA GLY 9 -12.485 -14.583 0.550
37 HA3 GLY 9 2HA GLY 9 -13.105 -14.267 2.164
38 H GLU 10 H GLU 10 -13.572 -12.084 2.769
39 HA GLU 10 HA GLU 10 -14.998 -10.632 0.908
40 HB2 GLU 10 1HB GLU 10 -14.923 -10.445 3.494
41 HB3 GLU 10 2HB GLU 10 -13.645 -9.270 3.217
42 HG2 GLU 10 1HG GLU 10 -15.091 -7.804 2.085
43 HG3 GLU 10 2HG GLU 10 -16.336 -9.040 1.914
44 H LYS 11 H LYS 11 -14.275 -9.754 -0.911
45 HA LYS 11 HA LYS 11 -11.788 -9.248 -1.780
46 HB2 LYS 11 1HB LYS 11 -13.881 -8.888 -3.086
47 HB3 LYS 11 2HB LYS 11 -14.097 -7.354 -2.252
48 HG2 LYS 11 1HG LYS 11 -11.935 -6.592 -3.178
49 HG3 LYS 11 2HG LYS 11 -11.830 -8.101 -4.087
50 HD2 LYS 11 1HD LYS 11 -14.282 -6.421 -4.342
51 HD3 LYS 11 2HD LYS 11 -12.814 -5.930 -5.190
52 HE2 LYS 11 1HE LYS 11 -14.064 -7.257 -6.706
53 HE3 LYS 11 2HE LYS 11 -12.723 -8.257 -6.147
54 HZ1 LYS 11 3HZ LYS 11 -14.106 -9.697 -5.172
55 HZ2 LYS 11 1HZ LYS 11 -15.302 -9.016 -6.156
56 HZ3 LYS 11 2HZ LYS 11 -15.120 -8.489 -4.559
57 H SER 12 H SER 12 -10.182 -8.390 -0.609
58 HA SER 12 HA SER 12 -10.395 -5.591 0.161
59 HB2 SER 12 1HB SER 12 -9.569 -5.976 2.430
60 HB3 SER 12 2HB SER 12 -11.085 -6.842 2.182
61 HG SER 12 HG SER 12 -8.937 -7.882 3.091
62 H HIS 13 H HIS 13 -8.358 -4.564 0.471
63 HA HIS 13 HA HIS 13 -6.206 -5.903 -0.981
64 HB2 HIS 13 1HB HIS 13 -6.538 -3.014 -0.146
65 HB3 HIS 13 2HB HIS 13 -5.185 -3.643 -1.082
66 HD1 HIS 13 HD1 HIS 13 -5.565 -4.064 -3.567
67 HD2 HIS 13 HD2 HIS 13 -8.993 -2.857 -1.554
68 HE1 HIS 13 HE1 HIS 13 -7.249 -3.544 -5.361
69 H THR 14 H THR 14 -4.075 -6.015 -0.193
70 HA THR 14 HA THR 14 -3.746 -5.533 2.689
71 HB THR 14 HB THR 14 -2.891 -8.039 1.227
72 HG1 THR 14 HG1 THR 14 -4.361 -8.984 2.816
73 HG21 THR 14 3HG2 THR 14 -1.838 -8.770 3.178
74 HG22 THR 14 1HG2 THR 14 -2.644 -7.563 4.180
75 HG23 THR 14 2HG2 THR 14 -1.362 -7.075 3.071
76 H CYS 15 H CYS 15 -1.757 -4.816 3.328
77 HA CYS 15 HA CYS 15 -0.026 -3.804 1.256
78 HB2 CYS 15 1HB CYS 15 -0.580 -2.512 3.322
79 HB3 CYS 15 2HB CYS 15 0.341 -3.687 4.256
80 H ASP 16 H ASP 16 1.520 -4.978 0.358
81 HA ASP 16 HA ASP 16 2.458 -7.421 1.519
82 HB2 ASP 16 1HB ASP 16 2.943 -5.919 -1.006
83 HB3 ASP 16 2HB ASP 16 4.168 -7.081 -0.504
84 H GLU 17 H GLU 17 3.352 -4.163 1.818
85 HA GLU 17 HA GLU 17 6.143 -4.464 2.237
86 HB2 GLU 17 1HB GLU 17 4.356 -2.312 3.375
87 HB3 GLU 17 2HB GLU 17 6.091 -2.220 3.107
88 HG2 GLU 17 1HG GLU 17 4.095 -2.583 0.891
89 HG3 GLU 17 2HG GLU 17 4.666 -1.009 1.440
90 H CYS 18 H CYS 18 3.367 -4.322 4.442
91 HA CYS 18 HA CYS 18 5.099 -5.440 6.549
92 HB2 CYS 18 1HB CYS 18 3.738 -4.252 8.208
93 HB3 CYS 18 2HB CYS 18 4.477 -3.126 7.074
94 H GLY 19 H GLY 19 1.889 -5.359 5.096
95 HA2 GLY 19 1HA GLY 19 0.816 -7.550 4.784
96 HA3 GLY 19 2HA GLY 19 1.331 -7.943 6.418
97 H LYS 20 H LYS 20 0.241 -4.737 5.944
98 HA LYS 20 HA LYS 20 -1.909 -5.066 7.772
99 HB2 LYS 20 1HB LYS 20 -0.834 -2.824 6.121
100 HB3 LYS 20 2HB LYS 20 -2.451 -2.660 6.793
101 HG2 LYS 20 1HG LYS 20 -0.239 -3.494 8.597
102 HG3 LYS 20 2HG LYS 20 -0.339 -1.805 8.093
103 HD2 LYS 20 1HD LYS 20 -2.808 -1.963 8.814
104 HD3 LYS 20 2HD LYS 20 -2.311 -3.423 9.673
105 HE2 LYS 20 1HE LYS 20 -2.134 -1.718 11.266
106 HE3 LYS 20 2HE LYS 20 -0.480 -1.974 10.711
107 HZ1 LYS 20 3HZ LYS 20 -1.996 0.389 10.650
108 HZ2 LYS 20 1HZ LYS 20 -1.640 -0.054 9.057
109 HZ3 LYS 20 2HZ LYS 20 -0.389 0.157 10.175
110 H ASN 21 H ASN 21 -4.164 -4.343 7.276
111 HA ASN 21 HA ASN 21 -4.997 -5.245 4.598
112 HB2 ASN 21 1HB ASN 21 -6.230 -5.856 7.284
113 HB3 ASN 21 2HB ASN 21 -7.104 -6.072 5.771
114 HD21 ASN 21 1HD2 ASN 21 -7.166 -8.303 6.658
115 HD22 ASN 21 2HD2 ASN 21 -5.863 -9.362 6.249
116 H PHE 22 H PHE 22 -6.489 -4.032 3.547
117 HA PHE 22 HA PHE 22 -7.876 -1.907 4.997
118 HB2 PHE 22 1HB PHE 22 -6.312 -1.371 2.465
119 HB3 PHE 22 2HB PHE 22 -7.209 -0.196 3.422
120 HD1 PHE 22 HD2 PHE 22 -4.189 -2.268 3.262
121 HD2 PHE 22 HD1 PHE 22 -6.301 0.716 5.443
122 HE1 PHE 22 HE2 PHE 22 -2.161 -1.794 4.571
123 HE2 PHE 22 HE1 PHE 22 -4.275 1.195 6.755
124 HZ PHE 22 HZ PHE 22 -2.202 -0.062 6.321
125 H CYS 23 H CYS 23 -9.947 -2.289 4.586
126 HA CYS 23 HA CYS 23 -11.054 -3.858 2.645
127 HB2 CYS 23 1HB CYS 23 -12.262 -2.876 4.598
128 HB3 CYS 23 2HB CYS 23 -12.327 -1.342 3.738
129 HG CYS 23 HG CYS 23 -14.386 -1.860 2.270
130 H TYR 24 H TYR 24 -10.440 -0.368 2.444
131 HA TYR 24 HA TYR 24 -11.025 -0.493 -0.437
132 HB2 TYR 24 1HB TYR 24 -10.915 2.139 -0.014
133 HB3 TYR 24 2HB TYR 24 -12.384 1.209 0.259
134 HD1 TYR 24 HD2 TYR 24 -12.732 0.301 2.672
135 HD2 TYR 24 HD1 TYR 24 -10.058 3.463 1.693
136 HE1 TYR 24 HE2 TYR 24 -12.785 1.062 5.010
137 HE2 TYR 24 HE1 TYR 24 -10.102 4.232 4.028
138 HH TYR 24 HH TYR 24 -12.376 3.329 6.218
139 H ILE 25 H ILE 25 -9.410 -0.298 -1.840
140 HA ILE 25 HA ILE 25 -6.743 -0.357 -1.209
141 HB ILE 25 HB ILE 25 -7.750 -0.779 -3.474
142 HG12 ILE 25 1HG1 ILE 25 -5.754 0.197 -4.711
143 HG13 ILE 25 2HG1 ILE 25 -5.303 0.968 -3.195
144 HG21 ILE 25 1HG2 ILE 25 -7.551 2.218 -3.737
145 HG22 ILE 25 2HG2 ILE 25 -8.000 1.083 -5.008
146 HG23 ILE 25 3HG2 ILE 25 -9.052 1.302 -3.609
147 HD11 ILE 25 3HD1 ILE 25 -4.091 -0.885 -2.898
148 HD12 ILE 25 1HD1 ILE 25 -5.625 -1.593 -2.391
149 HD13 ILE 25 2HD1 ILE 25 -5.050 -1.821 -4.043
150 H SER 26 H SER 26 -8.723 2.500 -1.903
151 HA SER 26 HA SER 26 -6.881 4.494 -2.008
152 HB2 SER 26 1HB SER 26 -9.542 4.508 -0.571
153 HB3 SER 26 2HB SER 26 -8.597 5.960 -0.898
154 HG SER 26 HG SER 26 -8.787 5.507 -3.117
155 H ALA 27 H ALA 27 -8.150 2.989 0.942
156 HA ALA 27 HA ALA 27 -6.777 4.599 2.787
157 HB1 ALA 27 3HB ALA 27 -7.033 2.008 3.886
158 HB2 ALA 27 1HB ALA 27 -8.053 3.420 4.163
159 HB3 ALA 27 2HB ALA 27 -8.443 2.290 2.866
160 H LEU 28 H LEU 28 -5.921 1.421 1.427
161 HA LEU 28 HA LEU 28 -3.554 0.965 2.755
162 HB2 LEU 28 1HB LEU 28 -4.190 -0.805 1.456
163 HB3 LEU 28 2HB LEU 28 -4.609 0.215 0.081
164 HG LEU 28 HG LEU 28 -2.135 0.539 -0.287
165 HD11 LEU 28 1HD1 LEU 28 -0.999 -1.678 0.768
166 HD12 LEU 28 2HD1 LEU 28 -2.090 -1.212 2.072
167 HD13 LEU 28 3HD1 LEU 28 -0.886 -0.068 1.478
168 HD21 LEU 28 3HD2 LEU 28 -3.860 -1.546 -1.024
169 HD22 LEU 28 1HD2 LEU 28 -2.313 -2.303 -0.644
170 HD23 LEU 28 2HD2 LEU 28 -2.392 -1.017 -1.849
171 H ARG 29 H ARG 29 -4.059 2.854 -0.204
172 HA ARG 29 HA ARG 29 -1.410 3.450 -0.793
173 HB2 ARG 29 1HB ARG 29 -3.770 5.299 -1.171
174 HB3 ARG 29 2HB ARG 29 -2.255 5.331 -2.063
175 HG2 ARG 29 1HG ARG 29 -4.044 2.927 -2.097
176 HG3 ARG 29 2HG ARG 29 -4.288 4.287 -3.195
177 HD2 ARG 29 1HD ARG 29 -1.787 2.621 -2.939
178 HD3 ARG 29 2HD ARG 29 -2.957 2.547 -4.255
179 HE ARG 29 HE ARG 29 -2.200 5.127 -4.298
180 HH11 ARG 29 1HH1 ARG 29 -0.396 2.150 -4.221
181 HH12 ARG 29 2HH1 ARG 29 0.954 2.793 -5.096
182 HH21 ARG 29 1HH2 ARG 29 -0.428 5.985 -5.451
183 HH22 ARG 29 2HH2 ARG 29 0.935 4.975 -5.794
184 H ILE 30 H ILE 30 -3.641 5.024 1.443
185 HA ILE 30 HA ILE 30 -1.992 7.228 2.078
186 HB ILE 30 HB ILE 30 -4.157 5.909 3.719
187 HG12 ILE 30 1HG1 ILE 30 -4.335 8.486 2.169
188 HG13 ILE 30 2HG1 ILE 30 -4.697 6.933 1.423
189 HG21 ILE 30 1HG2 ILE 30 -2.487 7.302 5.001
190 HG22 ILE 30 2HG2 ILE 30 -3.059 8.686 4.071
191 HG23 ILE 30 3HG2 ILE 30 -4.171 7.812 5.125
192 HD11 ILE 30 3HD1 ILE 30 -6.107 7.155 3.897
193 HD12 ILE 30 1HD1 ILE 30 -6.411 8.581 2.905
194 HD13 ILE 30 2HD1 ILE 30 -6.739 6.972 2.261
195 H HIS 31 H HIS 31 -2.248 3.973 3.388
196 HA HIS 31 HA HIS 31 -0.551 4.444 5.633
197 HB2 HIS 31 1HB HIS 31 -1.885 2.598 5.993
198 HB3 HIS 31 2HB HIS 31 -1.751 2.043 4.327
199 HD1 HIS 31 HD1 HIS 31 0.291 2.164 7.514
200 HD2 HIS 31 HD2 HIS 31 0.112 0.090 3.919
201 HE1 HIS 31 HE1 HIS 31 1.964 0.298 7.730
202 H GLN 32 H GLN 32 -0.057 2.909 2.464
203 HA GLN 32 HA GLN 32 2.490 2.018 2.614
204 HB2 GLN 32 1HB GLN 32 1.141 3.510 0.370
205 HB3 GLN 32 2HB GLN 32 2.740 2.799 0.196
206 HG2 GLN 32 1HG GLN 32 1.634 0.617 0.965
207 HG3 GLN 32 2HG GLN 32 0.111 1.430 0.606
208 HE21 GLN 32 1HE2 GLN 32 -0.052 2.379 -1.594
209 HE22 GLN 32 2HE2 GLN 32 0.639 1.490 -2.904
210 H ARG 33 H ARG 33 1.480 5.377 2.421
211 HA ARG 33 HA ARG 33 3.763 6.712 1.796
212 HB2 ARG 33 1HB ARG 33 1.800 7.404 3.988
213 HB3 ARG 33 2HB ARG 33 2.992 8.517 3.331
214 HG2 ARG 33 1HG ARG 33 1.942 8.364 1.138
215 HG3 ARG 33 2HG ARG 33 0.757 7.225 1.780
216 HD2 ARG 33 1HD ARG 33 -0.137 8.897 3.252
217 HD3 ARG 33 2HD ARG 33 1.147 10.027 2.820
218 HE ARG 33 HE ARG 33 -1.260 9.514 1.361
219 HH11 ARG 33 1HH1 ARG 33 2.064 10.508 1.074
220 HH12 ARG 33 2HH1 ARG 33 1.808 11.398 -0.390
221 HH21 ARG 33 1HH2 ARG 33 -1.610 10.683 -0.567
222 HH22 ARG 33 2HH2 ARG 33 -0.283 11.497 -1.322
223 H VAL 34 H VAL 34 2.959 5.305 4.945
224 HA VAL 34 HA VAL 34 5.130 6.252 6.410
225 HB VAL 34 HB VAL 34 4.688 4.569 8.006
226 HG11 VAL 34 1HG1 VAL 34 1.959 4.658 6.860
227 HG12 VAL 34 2HG1 VAL 34 2.522 5.052 8.485
228 HG13 VAL 34 3HG1 VAL 34 2.751 6.202 7.168
229 HG21 VAL 34 3HG2 VAL 34 3.148 2.611 7.326
230 HG22 VAL 34 1HG2 VAL 34 3.636 3.006 5.677
231 HG23 VAL 34 2HG2 VAL 34 4.850 2.545 6.870
232 H HIS 35 H HIS 35 4.874 3.503 4.230
233 HA HIS 35 HA HIS 35 7.414 2.384 4.873
234 HB2 HIS 35 1HB HIS 35 5.517 2.015 2.561
235 HB3 HIS 35 2HB HIS 35 7.070 1.187 2.633
236 HD1 HIS 35 HD1 HIS 35 7.387 -0.410 4.796
237 HD2 HIS 35 HD2 HIS 35 3.504 0.768 3.904
238 HE1 HIS 35 HE1 HIS 35 5.897 -2.009 6.039
239 H MET 36 H MET 36 6.278 4.754 2.550
240 HA MET 36 HA MET 36 8.541 4.848 0.894
241 HB2 MET 36 1HB MET 36 6.420 6.870 1.577
242 HB3 MET 36 2HB MET 36 7.737 7.255 0.476
243 HG2 MET 36 1HG MET 36 6.999 5.122 -0.777
244 HG3 MET 36 2HG MET 36 5.503 5.304 0.135
245 HE1 MET 36 3HE MET 36 4.854 9.106 -0.723
246 HE2 MET 36 1HE MET 36 3.709 7.777 -0.545
247 HE3 MET 36 2HE MET 36 5.037 7.955 0.602
248 H GLY 37 H GLY 37 10.501 4.927 1.885
249 HA2 GLY 37 1HA GLY 37 10.968 7.165 3.754
250 HA3 GLY 37 2HA GLY 37 11.866 5.655 3.774
251 H GLU 38 H GLU 38 11.097 8.292 1.497
252 HA GLU 38 HA GLU 38 13.570 7.905 0.077
253 HB2 GLU 38 1HB GLU 38 12.847 9.879 -1.232
254 HB3 GLU 38 2HB GLU 38 11.620 8.622 -1.160
255 HG2 GLU 38 1HG GLU 38 10.300 9.845 0.347
256 HG3 GLU 38 2HG GLU 38 11.612 10.964 0.712
257 H LYS 39 H LYS 39 15.175 9.594 -0.213
258 HA LYS 39 HA LYS 39 15.659 11.027 2.299
259 HB2 LYS 39 1HB LYS 39 17.485 10.175 0.054
260 HB3 LYS 39 2HB LYS 39 18.003 11.261 1.337
261 HG2 LYS 39 1HG LYS 39 17.171 9.378 2.916
262 HG3 LYS 39 2HG LYS 39 17.308 8.361 1.479
263 HD2 LYS 39 1HD LYS 39 19.375 8.163 2.597
264 HD3 LYS 39 2HD LYS 39 19.671 9.261 1.247
265 HE2 LYS 39 1HE LYS 39 19.509 11.171 2.726
266 HE3 LYS 39 2HE LYS 39 19.096 10.121 4.080
267 HZ1 LYS 39 3HZ LYS 39 21.243 9.887 4.493
268 HZ2 LYS 39 1HZ LYS 39 21.639 10.869 3.173
269 HZ3 LYS 39 2HZ LYS 39 21.485 9.197 2.967
270 H CYS 40 H CYS 40 15.565 13.177 2.411
271 HA CYS 40 HA CYS 40 15.174 14.670 -0.085
272 HB2 CYS 40 1HB CYS 40 14.215 16.436 1.358
273 HB3 CYS 40 2HB CYS 40 13.369 14.902 1.526
274 HG CYS 40 HG CYS 40 14.979 16.697 3.815
275 H SER 41 H SER 41 16.277 16.626 -0.465
276 HA SER 41 HA SER 41 18.995 16.631 0.096
277 HB2 SER 41 1HB SER 41 18.947 19.012 -0.708
278 HB3 SER 41 2HB SER 41 18.149 17.869 -1.789
279 HG SER 41 HG SER 41 16.183 18.534 -0.486
280 H GLY 42 H GLY 42 16.384 18.469 1.650
281 HA2 GLY 42 1HA GLY 42 16.413 18.845 4.026
282 HA3 GLY 42 2HA GLY 42 18.170 18.857 3.960
283 HA PRO 43 HA PRO 43 16.528 23.098 2.233
284 HB2 PRO 43 1HB PRO 43 14.004 23.732 3.005
285 HB3 PRO 43 2HB PRO 43 14.363 22.890 1.493
286 HG2 PRO 43 1HG PRO 43 13.437 21.771 4.111
287 HG3 PRO 43 2HG PRO 43 12.903 21.366 2.470
288 HD2 PRO 43 1HD PRO 43 14.655 19.832 3.852
289 HD3 PRO 43 2HD PRO 43 14.713 19.991 2.085
290 H SER 44 H SER 44 17.342 24.725 3.392
291 HA SER 44 HA SER 44 16.990 24.682 6.306
292 HB2 SER 44 1HB SER 44 19.042 26.145 4.627
293 HB3 SER 44 2HB SER 44 18.986 26.118 6.389
294 HG SER 44 HG SER 44 20.357 24.511 5.047
295 H SER 45 H SER 45 14.825 25.610 4.850
296 HA SER 45 HA SER 45 14.953 28.531 5.203
297 HB2 SER 45 1HB SER 45 13.058 26.857 3.537
298 HB3 SER 45 2HB SER 45 12.954 28.608 3.722
299 HG SER 45 HG SER 45 15.208 27.220 2.694
300 H GLY 46 H GLY 46 14.693 26.967 7.478
301 HA2 GLY 46 1HA GLY 46 11.857 26.897 8.160
302 HA3 GLY 46 2HA GLY 46 13.182 26.313 9.155
Start of MODEL 7
1 H1 GLY 1 H GLY 1 6.796 -26.592 14.502
2 HA2 GLY 1 1HA GLY 1 4.787 -24.552 15.001
3 HA3 GLY 1 2HA GLY 1 6.003 -24.532 13.733
4 H SER 2 H SER 2 3.054 -24.055 13.700
5 HA SER 2 HA SER 2 2.370 -26.061 11.651
6 HB2 SER 2 1HB SER 2 -0.004 -25.747 12.278
7 HB3 SER 2 2HB SER 2 0.958 -26.358 13.624
8 HG SER 2 HG SER 2 0.255 -23.638 13.211
9 H SER 3 H SER 3 2.956 -24.930 9.853
10 HA SER 3 HA SER 3 2.014 -22.187 9.520
11 HB2 SER 3 1HB SER 3 3.508 -22.026 7.678
12 HB3 SER 3 2HB SER 3 4.377 -22.936 8.914
13 HG SER 3 HG SER 3 4.638 -24.299 7.323
14 H GLY 4 H GLY 4 0.287 -21.653 8.345
15 HA2 GLY 4 1HA GLY 4 -0.668 -22.452 6.001
16 HA3 GLY 4 2HA GLY 4 -1.194 -23.786 7.016
17 H SER 5 H SER 5 -3.182 -23.622 7.786
18 HA SER 5 HA SER 5 -5.277 -22.696 8.060
19 HB2 SER 5 1HB SER 5 -3.517 -21.030 9.871
20 HB3 SER 5 2HB SER 5 -5.278 -21.049 9.956
21 HG SER 5 HG SER 5 -4.145 -22.527 11.410
22 H SER 6 H SER 6 -4.185 -21.713 5.709
23 HA SER 6 HA SER 6 -4.930 -18.864 5.750
24 HB2 SER 6 1HB SER 6 -3.638 -18.659 3.654
25 HB3 SER 6 2HB SER 6 -2.639 -19.254 4.980
26 HG SER 6 HG SER 6 -3.491 -21.415 3.966
27 H GLY 7 H GLY 7 -7.134 -19.036 5.487
28 HA2 GLY 7 1HA GLY 7 -8.405 -20.780 3.659
29 HA3 GLY 7 2HA GLY 7 -9.130 -19.360 4.399
30 H SER 8 H SER 8 -9.987 -19.751 1.978
31 HA SER 8 HA SER 8 -8.450 -18.873 -0.185
32 HB2 SER 8 1HB SER 8 -10.651 -20.011 -0.388
33 HB3 SER 8 2HB SER 8 -11.437 -18.540 0.185
34 HG SER 8 HG SER 8 -10.504 -17.470 -1.646
35 H GLY 9 H GLY 9 -8.648 -16.844 -1.388
36 HA2 GLY 9 1HA GLY 9 -8.123 -14.604 0.270
37 HA3 GLY 9 2HA GLY 9 -8.307 -14.573 -1.477
38 H GLU 10 H GLU 10 -9.243 -12.579 0.332
39 HA GLU 10 HA GLU 10 -12.088 -12.671 -0.350
40 HB2 GLU 10 1HB GLU 10 -11.952 -13.392 1.984
41 HB3 GLU 10 2HB GLU 10 -11.021 -11.956 2.386
42 HG2 GLU 10 1HG GLU 10 -13.170 -11.452 3.098
43 HG3 GLU 10 2HG GLU 10 -13.037 -10.633 1.543
44 H LYS 11 H LYS 11 -13.009 -10.687 -0.797
45 HA LYS 11 HA LYS 11 -11.463 -8.700 -1.900
46 HB2 LYS 11 1HB LYS 11 -13.812 -8.824 -2.384
47 HB3 LYS 11 2HB LYS 11 -14.230 -8.534 -0.701
48 HG2 LYS 11 1HG LYS 11 -14.633 -6.504 -1.781
49 HG3 LYS 11 2HG LYS 11 -13.080 -6.279 -0.972
50 HD2 LYS 11 1HD LYS 11 -12.647 -5.420 -3.071
51 HD3 LYS 11 2HD LYS 11 -12.093 -7.087 -3.245
52 HE2 LYS 11 1HE LYS 11 -13.360 -6.865 -5.142
53 HE3 LYS 11 2HE LYS 11 -14.568 -7.491 -4.021
54 HZ1 LYS 11 3HZ LYS 11 -15.071 -5.043 -3.572
55 HZ2 LYS 11 1HZ LYS 11 -15.608 -5.699 -5.036
56 HZ3 LYS 11 2HZ LYS 11 -14.224 -4.728 -5.001
57 H SER 12 H SER 12 -9.787 -7.878 -0.749
58 HA SER 12 HA SER 12 -10.270 -5.810 1.098
59 HB2 SER 12 1HB SER 12 -9.303 -6.787 3.131
60 HB3 SER 12 2HB SER 12 -10.746 -7.673 2.641
61 HG SER 12 HG SER 12 -9.523 -9.368 2.628
62 H HIS 13 H HIS 13 -8.747 -4.453 0.445
63 HA HIS 13 HA HIS 13 -6.344 -5.254 -0.818
64 HB2 HIS 13 1HB HIS 13 -6.848 -2.549 0.420
65 HB3 HIS 13 2HB HIS 13 -5.811 -2.937 -0.950
66 HD1 HIS 13 HD1 HIS 13 -6.947 -3.254 -3.245
67 HD2 HIS 13 HD2 HIS 13 -9.577 -2.306 -0.171
68 HE1 HIS 13 HE1 HIS 13 -9.112 -2.650 -4.374
69 H THR 14 H THR 14 -4.819 -6.336 0.256
70 HA THR 14 HA THR 14 -4.132 -5.488 2.986
71 HB THR 14 HB THR 14 -3.493 -8.071 1.547
72 HG1 THR 14 HG1 THR 14 -5.486 -7.248 3.326
73 HG21 THR 14 3HG2 THR 14 -2.288 -8.785 3.373
74 HG22 THR 14 1HG2 THR 14 -3.086 -7.663 4.475
75 HG23 THR 14 2HG2 THR 14 -1.860 -7.074 3.352
76 H CYS 15 H CYS 15 -2.190 -4.637 3.447
77 HA CYS 15 HA CYS 15 -0.462 -3.854 1.310
78 HB2 CYS 15 1HB CYS 15 -0.898 -2.503 3.387
79 HB3 CYS 15 2HB CYS 15 0.075 -3.668 4.279
80 H ASP 16 H ASP 16 0.984 -5.130 0.385
81 HA ASP 16 HA ASP 16 1.871 -7.569 1.587
82 HB2 ASP 16 1HB ASP 16 2.304 -6.171 -1.004
83 HB3 ASP 16 2HB ASP 16 3.510 -7.358 -0.515
84 H GLU 17 H GLU 17 2.934 -4.339 1.697
85 HA GLU 17 HA GLU 17 5.717 -4.758 2.032
86 HB2 GLU 17 1HB GLU 17 4.024 -2.484 3.080
87 HB3 GLU 17 2HB GLU 17 5.771 -2.477 2.889
88 HG2 GLU 17 1HG GLU 17 4.056 -3.007 0.514
89 HG3 GLU 17 2HG GLU 17 4.224 -1.356 1.110
90 H CYS 18 H CYS 18 3.029 -4.446 4.320
91 HA CYS 18 HA CYS 18 4.805 -5.510 6.418
92 HB2 CYS 18 1HB CYS 18 3.523 -4.235 8.067
93 HB3 CYS 18 2HB CYS 18 4.216 -3.162 6.855
94 H GLY 19 H GLY 19 1.497 -5.368 5.166
95 HA2 GLY 19 1HA GLY 19 0.356 -7.534 4.926
96 HA3 GLY 19 2HA GLY 19 0.992 -7.951 6.510
97 H LYS 20 H LYS 20 -0.283 -4.782 5.776
98 HA LYS 20 HA LYS 20 -2.233 -5.064 7.888
99 HB2 LYS 20 1HB LYS 20 -1.235 -2.817 6.188
100 HB3 LYS 20 2HB LYS 20 -2.784 -2.638 7.002
101 HG2 LYS 20 1HG LYS 20 -0.437 -3.538 8.591
102 HG3 LYS 20 2HG LYS 20 -0.553 -1.840 8.125
103 HD2 LYS 20 1HD LYS 20 -2.883 -1.856 9.092
104 HD3 LYS 20 2HD LYS 20 -2.510 -3.449 9.754
105 HE2 LYS 20 1HE LYS 20 -0.914 -0.949 10.296
106 HE3 LYS 20 2HE LYS 20 -2.165 -1.586 11.363
107 HZ1 LYS 20 3HZ LYS 20 -0.891 -3.454 11.859
108 HZ2 LYS 20 1HZ LYS 20 0.239 -2.195 11.863
109 HZ3 LYS 20 2HZ LYS 20 0.141 -3.239 10.536
110 H ASN 21 H ASN 21 -4.462 -3.961 7.377
111 HA ASN 21 HA ASN 21 -5.478 -5.031 4.830
112 HB2 ASN 21 1HB ASN 21 -6.002 -6.334 7.059
113 HB3 ASN 21 2HB ASN 21 -7.201 -5.063 7.277
114 HD21 ASN 21 1HD2 ASN 21 -6.711 -8.076 6.088
115 HD22 ASN 21 2HD2 ASN 21 -8.013 -8.158 4.955
116 H PHE 22 H PHE 22 -6.980 -3.811 3.767
117 HA PHE 22 HA PHE 22 -8.136 -1.480 5.068
118 HB2 PHE 22 1HB PHE 22 -6.529 -1.169 2.527
119 HB3 PHE 22 2HB PHE 22 -7.310 0.107 3.455
120 HD1 PHE 22 HD2 PHE 22 -4.470 -2.193 3.299
121 HD2 PHE 22 HD1 PHE 22 -6.325 0.956 5.480
122 HE1 PHE 22 HE2 PHE 22 -2.396 -1.865 4.581
123 HE2 PHE 22 HE1 PHE 22 -4.254 1.290 6.766
124 HZ PHE 22 HZ PHE 22 -2.286 -0.122 6.318
125 H CYS 23 H CYS 23 -10.225 -1.738 4.648
126 HA CYS 23 HA CYS 23 -11.362 -3.285 2.661
127 HB2 CYS 23 1HB CYS 23 -12.430 -0.921 4.194
128 HB3 CYS 23 2HB CYS 23 -13.423 -1.810 3.047
129 HG CYS 23 HG CYS 23 -12.076 -4.029 4.990
130 H TYR 24 H TYR 24 -10.598 0.170 2.612
131 HA TYR 24 HA TYR 24 -11.313 0.244 -0.239
132 HB2 TYR 24 1HB TYR 24 -10.960 2.832 0.310
133 HB3 TYR 24 2HB TYR 24 -12.487 2.010 0.613
134 HD1 TYR 24 HD2 TYR 24 -12.659 0.891 3.015
135 HD2 TYR 24 HD1 TYR 24 -10.046 4.096 2.012
136 HE1 TYR 24 HE2 TYR 24 -12.532 1.523 5.388
137 HE2 TYR 24 HE1 TYR 24 -9.911 4.736 4.383
138 HH TYR 24 HH TYR 24 -10.507 4.237 6.462
139 H ILE 25 H ILE 25 -9.706 0.160 -1.648
140 HA ILE 25 HA ILE 25 -7.042 -0.051 -1.147
141 HB ILE 25 HB ILE 25 -8.175 -0.375 -3.370
142 HG12 ILE 25 1HG1 ILE 25 -6.129 0.622 -4.656
143 HG13 ILE 25 2HG1 ILE 25 -5.550 1.042 -3.048
144 HG21 ILE 25 1HG2 ILE 25 -7.763 2.603 -3.597
145 HG22 ILE 25 2HG2 ILE 25 -8.298 1.530 -4.889
146 HG23 ILE 25 3HG2 ILE 25 -9.318 1.782 -3.473
147 HD11 ILE 25 3HD1 ILE 25 -4.556 -0.990 -3.372
148 HD12 ILE 25 1HD1 ILE 25 -6.034 -1.470 -2.540
149 HD13 ILE 25 2HD1 ILE 25 -5.916 -1.633 -4.292
150 H SER 26 H SER 26 -8.843 2.947 -1.687
151 HA SER 26 HA SER 26 -6.860 4.804 -1.885
152 HB2 SER 26 1HB SER 26 -9.570 4.848 -0.637
153 HB3 SER 26 2HB SER 26 -8.504 6.223 -0.346
154 HG SER 26 HG SER 26 -9.717 5.371 -2.699
155 H ALA 27 H ALA 27 -8.085 3.356 1.111
156 HA ALA 27 HA ALA 27 -6.523 4.837 2.906
157 HB1 ALA 27 3HB ALA 27 -7.715 3.681 4.375
158 HB2 ALA 27 1HB ALA 27 -8.365 2.711 3.053
159 HB3 ALA 27 2HB ALA 27 -6.909 2.187 3.900
160 H LEU 28 H LEU 28 -5.934 1.613 1.505
161 HA LEU 28 HA LEU 28 -3.528 1.017 2.688
162 HB2 LEU 28 1HB LEU 28 -4.371 -0.695 1.411
163 HB3 LEU 28 2HB LEU 28 -4.742 0.362 0.050
164 HG LEU 28 HG LEU 28 -2.244 0.492 -0.356
165 HD11 LEU 28 1HD1 LEU 28 -1.526 -1.991 0.744
166 HD12 LEU 28 2HD1 LEU 28 -2.247 -1.053 2.052
167 HD13 LEU 28 3HD1 LEU 28 -0.882 -0.399 1.147
168 HD21 LEU 28 3HD2 LEU 28 -3.147 -0.807 -1.961
169 HD22 LEU 28 1HD2 LEU 28 -4.049 -1.792 -0.809
170 HD23 LEU 28 2HD2 LEU 28 -2.334 -2.102 -1.080
171 H ARG 29 H ARG 29 -4.058 2.902 -0.276
172 HA ARG 29 HA ARG 29 -1.404 3.363 -0.958
173 HB2 ARG 29 1HB ARG 29 -3.675 5.326 -1.301
174 HB3 ARG 29 2HB ARG 29 -2.198 5.241 -2.252
175 HG2 ARG 29 1HG ARG 29 -4.271 3.061 -2.149
176 HG3 ARG 29 2HG ARG 29 -4.199 4.316 -3.389
177 HD2 ARG 29 1HD ARG 29 -2.040 2.300 -2.776
178 HD3 ARG 29 2HD ARG 29 -3.144 2.247 -4.150
179 HE ARG 29 HE ARG 29 -1.576 4.661 -3.958
180 HH11 ARG 29 1HH1 ARG 29 -1.764 1.423 -5.222
181 HH12 ARG 29 2HH1 ARG 29 -0.637 1.719 -6.504
182 HH21 ARG 29 1HH2 ARG 29 -0.091 5.063 -5.642
183 HH22 ARG 29 2HH2 ARG 29 0.315 3.789 -6.742
184 H ILE 30 H ILE 30 -3.519 5.180 1.227
185 HA ILE 30 HA ILE 30 -1.711 7.265 1.793
186 HB ILE 30 HB ILE 30 -3.936 6.159 3.511
187 HG12 ILE 30 1HG1 ILE 30 -4.051 8.695 1.912
188 HG13 ILE 30 2HG1 ILE 30 -4.366 7.151 1.128
189 HG21 ILE 30 1HG2 ILE 30 -2.774 8.916 3.708
190 HG22 ILE 30 2HG2 ILE 30 -3.786 8.055 4.865
191 HG23 ILE 30 3HG2 ILE 30 -2.108 7.568 4.629
192 HD11 ILE 30 3HD1 ILE 30 -6.471 7.910 1.719
193 HD12 ILE 30 1HD1 ILE 30 -6.068 6.783 3.014
194 HD13 ILE 30 2HD1 ILE 30 -5.922 8.521 3.280
195 H HIS 31 H HIS 31 -2.281 4.138 3.344
196 HA HIS 31 HA HIS 31 -0.524 4.544 5.526
197 HB2 HIS 31 1HB HIS 31 -1.962 2.792 5.932
198 HB3 HIS 31 2HB HIS 31 -1.864 2.188 4.280
199 HD1 HIS 31 HD1 HIS 31 0.104 2.203 7.505
200 HD2 HIS 31 HD2 HIS 31 -0.047 0.171 3.885
201 HE1 HIS 31 HE1 HIS 31 1.677 0.257 7.760
202 H GLN 32 H GLN 32 -0.100 2.936 2.387
203 HA GLN 32 HA GLN 32 2.386 1.880 2.586
204 HB2 GLN 32 1HB GLN 32 1.065 3.342 0.319
205 HB3 GLN 32 2HB GLN 32 2.689 2.691 0.142
206 HG2 GLN 32 1HG GLN 32 1.660 0.476 0.942
207 HG3 GLN 32 2HG GLN 32 0.114 1.230 0.556
208 HE21 GLN 32 1HE2 GLN 32 -0.071 2.130 -1.657
209 HE22 GLN 32 2HE2 GLN 32 0.670 1.254 -2.948
210 H ARG 33 H ARG 33 1.579 5.285 2.365
211 HA ARG 33 HA ARG 33 3.908 6.500 1.698
212 HB2 ARG 33 1HB ARG 33 2.097 7.292 3.987
213 HB3 ARG 33 2HB ARG 33 3.279 8.343 3.219
214 HG2 ARG 33 1HG ARG 33 2.057 8.120 1.092
215 HG3 ARG 33 2HG ARG 33 0.845 7.139 1.920
216 HD2 ARG 33 1HD ARG 33 -0.134 9.218 1.999
217 HD3 ARG 33 2HD ARG 33 0.723 9.184 3.540
218 HE ARG 33 HE ARG 33 2.218 10.334 1.356
219 HH11 ARG 33 1HH1 ARG 33 -0.000 10.923 3.973
220 HH12 ARG 33 2HH1 ARG 33 0.404 12.602 4.111
221 HH21 ARG 33 1HH2 ARG 33 2.758 12.543 1.527
222 HH22 ARG 33 2HH2 ARG 33 1.972 13.523 2.718
223 H VAL 34 H VAL 34 3.140 5.053 4.832
224 HA VAL 34 HA VAL 34 5.394 5.885 6.252
225 HB VAL 34 HB VAL 34 4.946 4.141 7.812
226 HG11 VAL 34 1HG1 VAL 34 2.732 4.604 8.378
227 HG12 VAL 34 2HG1 VAL 34 3.212 5.997 7.406
228 HG13 VAL 34 3HG1 VAL 34 2.225 4.720 6.693
229 HG21 VAL 34 3HG2 VAL 34 4.821 2.151 6.656
230 HG22 VAL 34 1HG2 VAL 34 3.132 2.401 7.096
231 HG23 VAL 34 2HG2 VAL 34 3.685 2.789 5.467
232 H HIS 35 H HIS 35 4.933 3.165 4.062
233 HA HIS 35 HA HIS 35 7.448 1.940 4.600
234 HB2 HIS 35 1HB HIS 35 5.450 1.655 2.361
235 HB3 HIS 35 2HB HIS 35 6.964 0.756 2.384
236 HD1 HIS 35 HD1 HIS 35 7.279 -0.858 4.531
237 HD2 HIS 35 HD2 HIS 35 3.429 0.515 3.786
238 HE1 HIS 35 HE1 HIS 35 5.759 -2.380 5.834
239 H MET 36 H MET 36 6.707 4.808 3.129
240 HA MET 36 HA MET 36 8.857 4.677 1.156
241 HB2 MET 36 1HB MET 36 6.898 6.896 1.771
242 HB3 MET 36 2HB MET 36 8.064 6.901 0.455
243 HG2 MET 36 1HG MET 36 6.084 4.683 0.659
244 HG3 MET 36 2HG MET 36 5.585 6.248 0.021
245 HE1 MET 36 3HE MET 36 5.937 5.813 -3.397
246 HE2 MET 36 1HE MET 36 5.271 4.332 -2.709
247 HE3 MET 36 2HE MET 36 4.912 5.890 -1.963
248 H GLY 37 H GLY 37 9.345 4.636 4.078
249 HA2 GLY 37 1HA GLY 37 10.898 5.504 5.528
250 HA3 GLY 37 2HA GLY 37 11.578 6.352 4.148
251 H GLU 38 H GLU 38 11.428 7.381 6.789
252 HA GLU 38 HA GLU 38 9.425 9.518 6.484
253 HB2 GLU 38 1HB GLU 38 9.525 7.936 8.575
254 HB3 GLU 38 2HB GLU 38 10.851 8.983 9.061
255 HG2 GLU 38 1HG GLU 38 8.023 9.834 8.485
256 HG3 GLU 38 2HG GLU 38 8.782 9.710 10.071
257 H LYS 39 H LYS 39 11.303 10.153 4.900
258 HA LYS 39 HA LYS 39 13.745 11.073 5.482
259 HB2 LYS 39 1HB LYS 39 11.632 12.594 3.944
260 HB3 LYS 39 2HB LYS 39 13.351 12.965 3.904
261 HG2 LYS 39 1HG LYS 39 12.359 10.235 3.186
262 HG3 LYS 39 2HG LYS 39 12.339 11.552 2.010
263 HD2 LYS 39 1HD LYS 39 14.742 11.864 2.308
264 HD3 LYS 39 2HD LYS 39 14.769 10.573 3.512
265 HE2 LYS 39 1HE LYS 39 13.847 9.057 1.708
266 HE3 LYS 39 2HE LYS 39 14.192 10.355 0.566
267 HZ1 LYS 39 3HZ LYS 39 16.029 8.590 1.982
268 HZ2 LYS 39 1HZ LYS 39 16.532 10.191 1.764
269 HZ3 LYS 39 2HZ LYS 39 16.136 9.239 0.423
270 H CYS 40 H CYS 40 14.650 12.339 6.958
271 HA CYS 40 HA CYS 40 12.985 14.401 8.247
272 HB2 CYS 40 1HB CYS 40 13.545 12.485 9.738
273 HB3 CYS 40 2HB CYS 40 15.252 12.849 9.512
274 HG CYS 40 HG CYS 40 14.680 15.588 10.525
275 H SER 41 H SER 41 13.637 16.096 6.950
276 HA SER 41 HA SER 41 16.479 16.843 7.181
277 HB2 SER 41 1HB SER 41 16.218 17.997 4.979
278 HB3 SER 41 2HB SER 41 16.032 16.246 4.878
279 HG SER 41 HG SER 41 14.406 17.737 3.812
280 H GLY 42 H GLY 42 16.089 18.099 9.029
281 HA2 GLY 42 1HA GLY 42 15.982 20.658 9.143
282 HA3 GLY 42 2HA GLY 42 14.312 20.420 8.650
283 HA PRO 43 HA PRO 43 15.098 19.887 13.378
284 HB2 PRO 43 1HB PRO 43 14.887 22.447 14.255
285 HB3 PRO 43 2HB PRO 43 16.432 21.700 13.835
286 HG2 PRO 43 1HG PRO 43 14.714 23.538 12.214
287 HG3 PRO 43 2HG PRO 43 16.475 23.545 12.420
288 HD2 PRO 43 1HD PRO 43 15.269 22.505 10.230
289 HD3 PRO 43 2HD PRO 43 16.787 21.857 10.881
290 H SER 44 H SER 44 12.860 20.920 11.196
291 HA SER 44 HA SER 44 10.764 22.131 12.309
292 HB2 SER 44 1HB SER 44 10.666 21.125 10.077
293 HB3 SER 44 2HB SER 44 10.584 19.515 10.793
294 HG SER 44 HG SER 44 8.580 21.119 10.240
295 H SER 45 H SER 45 11.117 18.595 12.644
296 HA SER 45 HA SER 45 9.232 18.507 14.803
297 HB2 SER 45 1HB SER 45 9.684 16.122 14.854
298 HB3 SER 45 2HB SER 45 9.527 16.642 13.176
299 HG SER 45 HG SER 45 12.081 16.682 14.278
300 H GLY 46 H GLY 46 9.611 18.108 16.975
301 HA2 GLY 46 1HA GLY 46 11.712 19.362 18.225
302 HA3 GLY 46 2HA GLY 46 10.762 18.083 18.966
Start of MODEL 8
1 H1 GLY 1 H GLY 1 14.465 -18.987 -8.000
2 HA2 GLY 1 1HA GLY 1 12.867 -20.367 -6.294
3 HA3 GLY 1 2HA GLY 1 14.620 -20.404 -6.182
4 H SER 2 H SER 2 12.279 -17.819 -5.485
5 HA SER 2 HA SER 2 13.170 -17.873 -2.683
6 HB2 SER 2 1HB SER 2 13.116 -15.379 -2.684
7 HB3 SER 2 2HB SER 2 14.361 -16.044 -3.742
8 HG SER 2 HG SER 2 11.967 -14.746 -4.395
9 H SER 3 H SER 3 11.630 -17.394 -1.153
10 HA SER 3 HA SER 3 8.990 -18.024 -1.648
11 HB2 SER 3 1HB SER 3 9.881 -18.059 0.604
12 HB3 SER 3 2HB SER 3 10.147 -16.316 0.567
13 HG SER 3 HG SER 3 8.242 -16.603 1.618
14 H GLY 4 H GLY 4 7.072 -16.813 -1.821
15 HA2 GLY 4 1HA GLY 4 7.405 -13.964 -2.487
16 HA3 GLY 4 2HA GLY 4 6.580 -15.031 -3.613
17 H SER 5 H SER 5 4.748 -13.611 -3.387
18 HA SER 5 HA SER 5 3.313 -13.927 -0.837
19 HB2 SER 5 1HB SER 5 3.404 -11.748 -2.870
20 HB3 SER 5 2HB SER 5 1.886 -12.006 -2.010
21 HG SER 5 HG SER 5 2.842 -10.781 -0.575
22 H SER 6 H SER 6 2.574 -16.035 -1.414
23 HA SER 6 HA SER 6 0.281 -15.954 -3.249
24 HB2 SER 6 1HB SER 6 2.606 -17.822 -3.294
25 HB3 SER 6 2HB SER 6 1.012 -18.484 -3.656
26 HG SER 6 HG SER 6 1.002 -16.422 -5.094
27 H GLY 7 H GLY 7 -1.004 -15.719 -1.350
28 HA2 GLY 7 1HA GLY 7 -1.958 -18.182 -0.314
29 HA3 GLY 7 2HA GLY 7 -0.968 -17.367 0.888
30 H SER 8 H SER 8 -1.558 -14.911 1.053
31 HA SER 8 HA SER 8 -3.943 -14.613 2.302
32 HB2 SER 8 1HB SER 8 -2.658 -12.450 0.619
33 HB3 SER 8 2HB SER 8 -3.734 -12.213 1.996
34 HG SER 8 HG SER 8 -1.943 -13.621 3.048
35 H GLY 9 H GLY 9 -6.038 -14.479 1.777
36 HA2 GLY 9 1HA GLY 9 -6.805 -13.742 -0.948
37 HA3 GLY 9 2HA GLY 9 -7.280 -15.337 -0.382
38 H GLU 10 H GLU 10 -7.648 -11.878 0.170
39 HA GLU 10 HA GLU 10 -10.256 -12.443 1.408
40 HB2 GLU 10 1HB GLU 10 -8.539 -11.745 3.099
41 HB3 GLU 10 2HB GLU 10 -8.408 -10.209 2.254
42 HG2 GLU 10 1HG GLU 10 -10.560 -9.554 2.857
43 HG3 GLU 10 2HG GLU 10 -11.043 -11.197 3.272
44 H LYS 11 H LYS 11 -11.839 -10.749 1.167
45 HA LYS 11 HA LYS 11 -11.661 -9.489 -1.427
46 HB2 LYS 11 1HB LYS 11 -13.808 -9.957 0.586
47 HB3 LYS 11 2HB LYS 11 -14.028 -8.637 -0.556
48 HG2 LYS 11 1HG LYS 11 -15.087 -10.462 -1.549
49 HG3 LYS 11 2HG LYS 11 -13.531 -10.351 -2.376
50 HD2 LYS 11 1HD LYS 11 -13.728 -12.081 0.038
51 HD3 LYS 11 2HD LYS 11 -14.456 -12.655 -1.465
52 HE2 LYS 11 1HE LYS 11 -11.646 -11.614 -1.405
53 HE3 LYS 11 2HE LYS 11 -12.005 -13.279 -0.952
54 HZ1 LYS 11 3HZ LYS 11 -12.944 -12.145 -3.514
55 HZ2 LYS 11 1HZ LYS 11 -12.766 -13.771 -3.082
56 HZ3 LYS 11 2HZ LYS 11 -11.399 -12.816 -3.363
57 H SER 12 H SER 12 -9.761 -8.396 0.220
58 HA SER 12 HA SER 12 -10.568 -5.622 0.222
59 HB2 SER 12 1HB SER 12 -9.944 -7.104 2.766
60 HB3 SER 12 2HB SER 12 -9.637 -5.373 2.627
61 HG SER 12 HG SER 12 -12.089 -6.757 2.519
62 H HIS 13 H HIS 13 -8.860 -4.231 -0.025
63 HA HIS 13 HA HIS 13 -6.474 -5.222 -1.093
64 HB2 HIS 13 1HB HIS 13 -6.724 -2.482 0.131
65 HB3 HIS 13 2HB HIS 13 -5.758 -2.975 -1.256
66 HD1 HIS 13 HD1 HIS 13 -6.975 -3.207 -3.528
67 HD2 HIS 13 HD2 HIS 13 -9.408 -1.920 -0.415
68 HE1 HIS 13 HE1 HIS 13 -9.080 -2.371 -4.621
69 H THR 14 H THR 14 -4.804 -6.147 -0.128
70 HA THR 14 HA THR 14 -4.278 -5.512 2.701
71 HB THR 14 HB THR 14 -3.551 -8.032 1.195
72 HG1 THR 14 HG1 THR 14 -5.549 -8.533 1.675
73 HG21 THR 14 3HG2 THR 14 -2.450 -6.931 3.535
74 HG22 THR 14 1HG2 THR 14 -2.216 -8.559 2.900
75 HG23 THR 14 2HG2 THR 14 -3.506 -8.242 4.060
76 H CYS 15 H CYS 15 -2.345 -4.709 3.267
77 HA CYS 15 HA CYS 15 -0.517 -3.891 1.221
78 HB2 CYS 15 1HB CYS 15 -1.047 -2.586 3.318
79 HB3 CYS 15 2HB CYS 15 -0.092 -3.766 4.209
80 H ASP 16 H ASP 16 0.808 -5.308 0.295
81 HA ASP 16 HA ASP 16 1.672 -7.713 1.551
82 HB2 ASP 16 1HB ASP 16 2.159 -6.360 -1.054
83 HB3 ASP 16 2HB ASP 16 3.339 -7.560 -0.534
84 H GLU 17 H GLU 17 2.722 -4.524 1.781
85 HA GLU 17 HA GLU 17 5.520 -4.961 2.095
86 HB2 GLU 17 1HB GLU 17 3.870 -2.678 3.186
87 HB3 GLU 17 2HB GLU 17 5.607 -2.689 2.916
88 HG2 GLU 17 1HG GLU 17 3.812 -3.204 0.606
89 HG3 GLU 17 2HG GLU 17 3.956 -1.557 1.216
90 H CYS 18 H CYS 18 2.791 -4.727 4.332
91 HA CYS 18 HA CYS 18 4.532 -5.824 6.439
92 HB2 CYS 18 1HB CYS 18 3.238 -4.531 8.096
93 HB3 CYS 18 2HB CYS 18 4.067 -3.486 6.948
94 H GLY 19 H GLY 19 1.255 -5.561 5.143
95 HA2 GLY 19 1HA GLY 19 0.100 -7.750 4.902
96 HA3 GLY 19 2HA GLY 19 0.598 -8.073 6.556
97 H LYS 20 H LYS 20 -0.281 -4.841 6.005
98 HA LYS 20 HA LYS 20 -2.478 -4.988 7.792
99 HB2 LYS 20 1HB LYS 20 -1.209 -2.863 6.135
100 HB3 LYS 20 2HB LYS 20 -2.838 -2.572 6.729
101 HG2 LYS 20 1HG LYS 20 -0.732 -3.490 8.629
102 HG3 LYS 20 2HG LYS 20 -0.766 -1.803 8.110
103 HD2 LYS 20 1HD LYS 20 -3.211 -1.792 8.783
104 HD3 LYS 20 2HD LYS 20 -2.906 -3.348 9.559
105 HE2 LYS 20 1HE LYS 20 -1.224 -0.935 10.158
106 HE3 LYS 20 2HE LYS 20 -2.750 -1.223 10.993
107 HZ1 LYS 20 3HZ LYS 20 -0.511 -3.170 10.903
108 HZ2 LYS 20 1HZ LYS 20 -1.923 -3.286 11.827
109 HZ3 LYS 20 2HZ LYS 20 -0.779 -2.091 12.178
110 H ASN 21 H ASN 21 -4.687 -4.269 7.302
111 HA ASN 21 HA ASN 21 -5.533 -5.066 4.594
112 HB2 ASN 21 1HB ASN 21 -6.837 -5.675 7.250
113 HB3 ASN 21 2HB ASN 21 -7.655 -5.885 5.705
114 HD21 ASN 21 1HD2 ASN 21 -7.516 -8.052 7.159
115 HD22 ASN 21 2HD2 ASN 21 -6.312 -9.151 6.584
116 H PHE 22 H PHE 22 -6.775 -3.660 3.523
117 HA PHE 22 HA PHE 22 -8.153 -1.551 5.032
118 HB2 PHE 22 1HB PHE 22 -6.603 -1.049 2.486
119 HB3 PHE 22 2HB PHE 22 -7.417 0.150 3.486
120 HD1 PHE 22 HD2 PHE 22 -4.505 -2.052 3.199
121 HD2 PHE 22 HD1 PHE 22 -6.430 0.950 5.523
122 HE1 PHE 22 HE2 PHE 22 -2.428 -1.711 4.473
123 HE2 PHE 22 HE1 PHE 22 -4.356 1.296 6.800
124 HZ PHE 22 HZ PHE 22 -2.352 -0.037 6.277
125 H CYS 23 H CYS 23 -10.245 -1.714 4.607
126 HA CYS 23 HA CYS 23 -11.420 -3.240 2.627
127 HB2 CYS 23 1HB CYS 23 -12.464 -0.838 4.129
128 HB3 CYS 23 2HB CYS 23 -13.468 -1.792 3.044
129 HG CYS 23 HG CYS 23 -13.209 -4.155 4.520
130 H TYR 24 H TYR 24 -10.474 0.153 2.549
131 HA TYR 24 HA TYR 24 -11.249 0.255 -0.291
132 HB2 TYR 24 1HB TYR 24 -10.879 2.838 0.247
133 HB3 TYR 24 2HB TYR 24 -12.409 2.031 0.569
134 HD1 TYR 24 HD2 TYR 24 -12.546 0.912 2.983
135 HD2 TYR 24 HD1 TYR 24 -9.961 4.123 1.928
136 HE1 TYR 24 HE2 TYR 24 -12.392 1.559 5.351
137 HE2 TYR 24 HE1 TYR 24 -9.799 4.778 4.293
138 HH TYR 24 HH TYR 24 -10.082 3.762 6.508
139 H ILE 25 H ILE 25 -9.724 0.542 -1.798
140 HA ILE 25 HA ILE 25 -7.035 0.140 -1.322
141 HB ILE 25 HB ILE 25 -8.261 0.035 -3.551
142 HG12 ILE 25 1HG1 ILE 25 -6.096 1.049 -4.731
143 HG13 ILE 25 2HG1 ILE 25 -5.507 1.071 -3.073
144 HG21 ILE 25 1HG2 ILE 25 -9.160 2.344 -3.415
145 HG22 ILE 25 2HG2 ILE 25 -7.524 2.955 -3.656
146 HG23 ILE 25 3HG2 ILE 25 -8.308 2.008 -4.921
147 HD11 ILE 25 3HD1 ILE 25 -5.771 -1.282 -2.870
148 HD12 ILE 25 1HD1 ILE 25 -6.625 -1.376 -4.410
149 HD13 ILE 25 2HD1 ILE 25 -4.910 -0.964 -4.376
150 H SER 26 H SER 26 -8.734 3.226 -1.788
151 HA SER 26 HA SER 26 -6.697 5.020 -1.807
152 HB2 SER 26 1HB SER 26 -8.846 5.939 -1.968
153 HB3 SER 26 2HB SER 26 -9.402 5.137 -0.499
154 HG SER 26 HG SER 26 -8.615 7.567 -0.642
155 H ALA 27 H ALA 27 -8.117 3.553 1.101
156 HA ALA 27 HA ALA 27 -6.574 4.873 3.010
157 HB1 ALA 27 3HB ALA 27 -8.354 2.612 2.940
158 HB2 ALA 27 1HB ALA 27 -6.986 2.298 4.009
159 HB3 ALA 27 2HB ALA 27 -7.998 3.720 4.265
160 H LEU 28 H LEU 28 -5.964 1.772 1.378
161 HA LEU 28 HA LEU 28 -3.609 1.066 2.653
162 HB2 LEU 28 1HB LEU 28 -4.472 -0.575 1.284
163 HB3 LEU 28 2HB LEU 28 -4.736 0.538 -0.057
164 HG LEU 28 HG LEU 28 -2.236 0.592 -0.362
165 HD11 LEU 28 1HD1 LEU 28 -1.546 -1.878 0.725
166 HD12 LEU 28 2HD1 LEU 28 -2.386 -1.024 2.019
167 HD13 LEU 28 3HD1 LEU 28 -0.983 -0.289 1.244
168 HD21 LEU 28 3HD2 LEU 28 -2.324 -1.154 -1.828
169 HD22 LEU 28 1HD2 LEU 28 -4.046 -0.966 -1.495
170 HD23 LEU 28 2HD2 LEU 28 -3.123 -2.227 -0.677
171 H ARG 29 H ARG 29 -4.033 3.057 -0.260
172 HA ARG 29 HA ARG 29 -1.354 3.511 -0.844
173 HB2 ARG 29 1HB ARG 29 -3.605 5.495 -1.201
174 HB3 ARG 29 2HB ARG 29 -2.092 5.445 -2.096
175 HG2 ARG 29 1HG ARG 29 -4.103 3.213 -2.148
176 HG3 ARG 29 2HG ARG 29 -4.108 4.553 -3.297
177 HD2 ARG 29 1HD ARG 29 -1.879 2.571 -2.848
178 HD3 ARG 29 2HD ARG 29 -2.954 2.645 -4.244
179 HE ARG 29 HE ARG 29 -1.598 5.106 -3.899
180 HH11 ARG 29 1HH1 ARG 29 -1.117 1.833 -4.981
181 HH12 ARG 29 2HH1 ARG 29 0.164 2.243 -6.073
182 HH21 ARG 29 1HH2 ARG 29 0.087 5.660 -5.332
183 HH22 ARG 29 2HH2 ARG 29 0.849 4.421 -6.271
184 H ILE 30 H ILE 30 -3.513 5.241 1.360
185 HA ILE 30 HA ILE 30 -1.738 7.320 2.034
186 HB ILE 30 HB ILE 30 -3.949 6.117 3.705
187 HG12 ILE 30 1HG1 ILE 30 -4.046 8.623 2.028
188 HG13 ILE 30 2HG1 ILE 30 -4.528 7.051 1.402
189 HG21 ILE 30 1HG2 ILE 30 -3.807 8.688 4.483
190 HG22 ILE 30 2HG2 ILE 30 -2.960 7.374 5.297
191 HG23 ILE 30 3HG2 ILE 30 -2.108 8.380 4.126
192 HD11 ILE 30 3HD1 ILE 30 -6.093 6.978 3.450
193 HD12 ILE 30 1HD1 ILE 30 -5.824 8.720 3.509
194 HD13 ILE 30 2HD1 ILE 30 -6.528 7.985 2.069
195 H HIS 31 H HIS 31 -2.246 4.106 3.405
196 HA HIS 31 HA HIS 31 -0.467 4.480 5.604
197 HB2 HIS 31 1HB HIS 31 -1.968 2.780 6.033
198 HB3 HIS 31 2HB HIS 31 -1.897 2.158 4.387
199 HD1 HIS 31 HD1 HIS 31 0.104 2.159 7.593
200 HD2 HIS 31 HD2 HIS 31 -0.146 0.084 4.003
201 HE1 HIS 31 HE1 HIS 31 1.625 0.174 7.856
202 H GLN 32 H GLN 32 -0.151 3.210 2.341
203 HA GLN 32 HA GLN 32 2.313 1.962 2.504
204 HB2 GLN 32 1HB GLN 32 0.920 3.435 0.293
205 HB3 GLN 32 2HB GLN 32 2.543 2.802 0.051
206 HG2 GLN 32 1HG GLN 32 1.569 0.570 0.866
207 HG3 GLN 32 2HG GLN 32 -0.000 1.310 0.555
208 HE21 GLN 32 1HE2 GLN 32 0.037 2.517 -1.680
209 HE22 GLN 32 2HE2 GLN 32 0.606 1.551 -2.995
210 H ARG 33 H ARG 33 1.546 5.338 2.599
211 HA ARG 33 HA ARG 33 3.895 6.530 1.776
212 HB2 ARG 33 1HB ARG 33 2.160 7.372 4.106
213 HB3 ARG 33 2HB ARG 33 3.307 8.397 3.253
214 HG2 ARG 33 1HG ARG 33 1.962 8.032 1.177
215 HG3 ARG 33 2HG ARG 33 0.760 7.214 2.178
216 HD2 ARG 33 1HD ARG 33 -0.107 9.321 2.209
217 HD3 ARG 33 2HD ARG 33 0.971 9.437 3.599
218 HE ARG 33 HE ARG 33 2.274 10.920 2.431
219 HH11 ARG 33 1HH1 ARG 33 0.056 9.356 0.250
220 HH12 ARG 33 2HH1 ARG 33 0.427 10.400 -1.083
221 HH21 ARG 33 1HH2 ARG 33 2.771 12.300 0.684
222 HH22 ARG 33 2HH2 ARG 33 1.972 12.073 -0.835
223 H VAL 34 H VAL 34 3.213 4.811 4.739
224 HA VAL 34 HA VAL 34 5.485 5.686 6.199
225 HB VAL 34 HB VAL 34 5.011 3.938 7.754
226 HG11 VAL 34 1HG1 VAL 34 2.809 4.465 8.367
227 HG12 VAL 34 2HG1 VAL 34 3.369 5.872 7.461
228 HG13 VAL 34 3HG1 VAL 34 2.305 4.692 6.693
229 HG21 VAL 34 3HG2 VAL 34 2.972 2.382 6.904
230 HG22 VAL 34 1HG2 VAL 34 3.845 2.625 5.391
231 HG23 VAL 34 2HG2 VAL 34 4.672 1.929 6.785
232 H HIS 35 H HIS 35 4.945 3.177 3.836
233 HA HIS 35 HA HIS 35 7.457 1.851 4.364
234 HB2 HIS 35 1HB HIS 35 5.382 1.502 2.196
235 HB3 HIS 35 2HB HIS 35 6.852 0.537 2.298
236 HD1 HIS 35 HD1 HIS 35 7.084 -0.889 4.601
237 HD2 HIS 35 HD2 HIS 35 3.299 0.532 3.647
238 HE1 HIS 35 HE1 HIS 35 5.487 -2.245 5.991
239 H MET 36 H MET 36 7.174 4.758 3.413
240 HA MET 36 HA MET 36 8.757 4.605 0.952
241 HB2 MET 36 1HB MET 36 7.365 6.919 2.305
242 HB3 MET 36 2HB MET 36 8.374 7.087 0.874
243 HG2 MET 36 1HG MET 36 6.786 5.293 -0.129
244 HG3 MET 36 2HG MET 36 5.701 5.798 1.165
245 HE1 MET 36 3HE MET 36 6.059 8.396 1.752
246 HE2 MET 36 1HE MET 36 5.959 9.674 0.541
247 HE3 MET 36 2HE MET 36 4.524 8.737 0.953
248 H GLY 37 H GLY 37 10.727 5.786 0.740
249 HA2 GLY 37 1HA GLY 37 12.084 6.209 3.331
250 HA3 GLY 37 2HA GLY 37 12.887 5.607 1.888
251 H GLU 38 H GLU 38 14.399 7.379 2.376
252 HA GLU 38 HA GLU 38 14.059 10.016 2.538
253 HB2 GLU 38 1HB GLU 38 16.102 10.362 1.305
254 HB3 GLU 38 2HB GLU 38 16.250 8.881 2.240
255 HG2 GLU 38 1HG GLU 38 15.536 7.674 0.106
256 HG3 GLU 38 2HG GLU 38 15.872 9.198 -0.714
257 H LYS 39 H LYS 39 12.821 11.466 1.571
258 HA LYS 39 HA LYS 39 12.005 10.999 -1.217
259 HB2 LYS 39 1HB LYS 39 10.253 11.169 0.628
260 HB3 LYS 39 2HB LYS 39 10.679 12.872 0.740
261 HG2 LYS 39 1HG LYS 39 10.176 12.970 -1.767
262 HG3 LYS 39 2HG LYS 39 9.388 11.408 -1.533
263 HD2 LYS 39 1HD LYS 39 7.809 12.324 -0.029
264 HD3 LYS 39 2HD LYS 39 8.726 13.823 0.136
265 HE2 LYS 39 1HE LYS 39 6.830 14.235 -1.275
266 HE3 LYS 39 2HE LYS 39 8.288 14.288 -2.264
267 HZ1 LYS 39 3HZ LYS 39 7.518 12.651 -3.521
268 HZ2 LYS 39 1HZ LYS 39 6.041 12.755 -2.701
269 HZ3 LYS 39 2HZ LYS 39 7.222 11.661 -2.182
270 H CYS 40 H CYS 40 13.091 12.155 -2.658
271 HA CYS 40 HA CYS 40 14.147 14.782 -1.871
272 HB2 CYS 40 1HB CYS 40 15.766 14.552 -3.623
273 HB3 CYS 40 2HB CYS 40 15.745 13.040 -2.724
274 HG CYS 40 HG CYS 40 15.298 11.519 -4.739
275 H SER 41 H SER 41 13.533 16.612 -2.888
276 HA SER 41 HA SER 41 11.748 16.360 -5.215
277 HB2 SER 41 1HB SER 41 11.353 18.018 -2.726
278 HB3 SER 41 2HB SER 41 10.523 18.389 -4.237
279 HG SER 41 HG SER 41 10.044 15.921 -4.003
280 H GLY 42 H GLY 42 12.053 17.806 -6.840
281 HA2 GLY 42 1HA GLY 42 14.514 19.158 -7.029
282 HA3 GLY 42 2HA GLY 42 13.153 19.358 -8.124
283 HA PRO 43 HA PRO 43 13.916 23.197 -5.444
284 HB2 PRO 43 1HB PRO 43 14.867 24.820 -7.401
285 HB3 PRO 43 2HB PRO 43 15.914 23.807 -6.401
286 HG2 PRO 43 1HG PRO 43 14.888 23.316 -9.170
287 HG3 PRO 43 2HG PRO 43 16.513 23.046 -8.515
288 HD2 PRO 43 1HD PRO 43 14.720 21.042 -8.837
289 HD3 PRO 43 2HD PRO 43 15.920 21.049 -7.528
290 H SER 44 H SER 44 12.090 22.129 -8.012
291 HA SER 44 HA SER 44 10.375 24.518 -7.883
292 HB2 SER 44 1HB SER 44 9.730 23.789 -10.314
293 HB3 SER 44 2HB SER 44 11.200 24.726 -10.050
294 HG SER 44 HG SER 44 11.337 21.927 -9.975
295 H SER 45 H SER 45 10.621 21.038 -8.270
296 HA SER 45 HA SER 45 8.997 19.396 -8.300
297 HB2 SER 45 1HB SER 45 9.500 20.231 -5.841
298 HB3 SER 45 2HB SER 45 7.817 20.753 -5.910
299 HG SER 45 HG SER 45 7.168 18.720 -5.963
300 H GLY 46 H GLY 46 8.188 21.094 -10.183
301 HA2 GLY 46 1HA GLY 46 5.358 21.678 -9.589
302 HA3 GLY 46 2HA GLY 46 6.302 22.465 -10.844
Start of MODEL 9
1 H1 GLY 1 H GLY 1 3.545 -20.577 -14.917
2 HA2 GLY 1 1HA GLY 1 1.910 -18.757 -15.479
3 HA3 GLY 1 2HA GLY 1 1.784 -20.147 -16.546
4 H SER 2 H SER 2 -0.230 -20.765 -16.898
5 HA SER 2 HA SER 2 -2.518 -20.829 -16.683
6 HB2 SER 2 1HB SER 2 -3.222 -22.360 -15.005
7 HB3 SER 2 2HB SER 2 -1.576 -22.836 -15.423
8 HG SER 2 HG SER 2 -1.067 -21.301 -13.554
9 H SER 3 H SER 3 -1.628 -18.278 -16.092
10 HA SER 3 HA SER 3 -2.893 -17.439 -13.613
11 HB2 SER 3 1HB SER 3 -1.299 -16.011 -15.733
12 HB3 SER 3 2HB SER 3 -2.163 -15.124 -14.478
13 HG SER 3 HG SER 3 -0.272 -15.453 -13.527
14 H GLY 4 H GLY 4 -5.069 -17.508 -13.726
15 HA2 GLY 4 1HA GLY 4 -6.428 -15.573 -15.321
16 HA3 GLY 4 2HA GLY 4 -6.689 -17.198 -15.939
17 H SER 5 H SER 5 -6.556 -15.729 -12.690
18 HA SER 5 HA SER 5 -9.297 -16.625 -12.215
19 HB2 SER 5 1HB SER 5 -6.991 -17.318 -10.379
20 HB3 SER 5 2HB SER 5 -8.693 -17.654 -10.066
21 HG SER 5 HG SER 5 -7.248 -19.359 -11.069
22 H SER 6 H SER 6 -10.458 -15.198 -11.071
23 HA SER 6 HA SER 6 -9.008 -12.953 -9.832
24 HB2 SER 6 1HB SER 6 -10.667 -12.645 -11.851
25 HB3 SER 6 2HB SER 6 -11.899 -12.769 -10.596
26 HG SER 6 HG SER 6 -10.034 -10.767 -11.073
27 H GLY 7 H GLY 7 -8.790 -14.142 -7.852
28 HA2 GLY 7 1HA GLY 7 -10.600 -13.502 -5.875
29 HA3 GLY 7 2HA GLY 7 -11.072 -15.102 -6.428
30 H SER 8 H SER 8 -8.239 -13.275 -5.297
31 HA SER 8 HA SER 8 -6.551 -15.399 -4.751
32 HB2 SER 8 1HB SER 8 -6.858 -12.705 -3.430
33 HB3 SER 8 2HB SER 8 -5.605 -13.846 -2.941
34 HG SER 8 HG SER 8 -5.407 -12.136 -4.849
35 H GLY 9 H GLY 9 -8.672 -13.748 -2.396
36 HA2 GLY 9 1HA GLY 9 -9.746 -16.035 -1.240
37 HA3 GLY 9 2HA GLY 9 -8.267 -15.681 -0.360
38 H GLU 10 H GLU 10 -8.381 -12.861 -0.479
39 HA GLU 10 HA GLU 10 -10.713 -12.362 1.252
40 HB2 GLU 10 1HB GLU 10 -8.491 -12.274 2.380
41 HB3 GLU 10 2HB GLU 10 -8.039 -10.954 1.310
42 HG2 GLU 10 1HG GLU 10 -9.423 -9.453 2.344
43 HG3 GLU 10 2HG GLU 10 -10.522 -10.701 2.927
44 H LYS 11 H LYS 11 -12.008 -10.644 0.853
45 HA LYS 11 HA LYS 11 -11.576 -9.234 -1.664
46 HB2 LYS 11 1HB LYS 11 -13.927 -9.767 0.093
47 HB3 LYS 11 2HB LYS 11 -13.968 -8.339 -0.934
48 HG2 LYS 11 1HG LYS 11 -13.385 -11.087 -1.997
49 HG3 LYS 11 2HG LYS 11 -15.018 -10.428 -1.876
50 HD2 LYS 11 1HD LYS 11 -12.846 -8.908 -3.275
51 HD3 LYS 11 2HD LYS 11 -13.738 -10.184 -4.108
52 HE2 LYS 11 1HE LYS 11 -15.830 -8.904 -3.211
53 HE3 LYS 11 2HE LYS 11 -14.704 -7.555 -3.065
54 HZ1 LYS 11 3HZ LYS 11 -15.125 -7.173 -5.199
55 HZ2 LYS 11 1HZ LYS 11 -15.923 -8.652 -5.402
56 HZ3 LYS 11 2HZ LYS 11 -14.241 -8.569 -5.560
57 H SER 12 H SER 12 -9.777 -8.417 0.211
58 HA SER 12 HA SER 12 -10.545 -5.634 0.557
59 HB2 SER 12 1HB SER 12 -9.675 -7.388 2.864
60 HB3 SER 12 2HB SER 12 -9.712 -5.626 2.927
61 HG SER 12 HG SER 12 -11.732 -5.837 3.425
62 H HIS 13 H HIS 13 -8.913 -4.333 0.025
63 HA HIS 13 HA HIS 13 -6.501 -5.255 -1.000
64 HB2 HIS 13 1HB HIS 13 -6.852 -2.506 0.187
65 HB3 HIS 13 2HB HIS 13 -5.834 -2.982 -1.169
66 HD1 HIS 13 HD1 HIS 13 -6.964 -3.235 -3.468
67 HD2 HIS 13 HD2 HIS 13 -9.564 -2.115 -0.427
68 HE1 HIS 13 HE1 HIS 13 -9.078 -2.512 -4.623
69 H THR 14 H THR 14 -4.827 -6.157 -0.023
70 HA THR 14 HA THR 14 -4.280 -5.452 2.785
71 HB THR 14 HB THR 14 -3.571 -7.987 1.295
72 HG1 THR 14 HG1 THR 14 -5.231 -8.881 2.380
73 HG21 THR 14 3HG2 THR 14 -3.252 -7.511 4.245
74 HG22 THR 14 1HG2 THR 14 -1.958 -7.139 3.106
75 HG23 THR 14 2HG2 THR 14 -2.557 -8.792 3.252
76 H CYS 15 H CYS 15 -2.278 -4.776 3.384
77 HA CYS 15 HA CYS 15 -0.513 -3.877 1.294
78 HB2 CYS 15 1HB CYS 15 -1.029 -2.579 3.399
79 HB3 CYS 15 2HB CYS 15 -0.050 -3.750 4.276
80 H ASP 16 H ASP 16 0.931 -5.169 0.383
81 HA ASP 16 HA ASP 16 1.782 -7.621 1.574
82 HB2 ASP 16 1HB ASP 16 2.542 -6.142 -0.935
83 HB3 ASP 16 2HB ASP 16 3.398 -7.599 -0.437
84 H GLU 17 H GLU 17 2.857 -4.396 1.768
85 HA GLU 17 HA GLU 17 5.624 -4.833 2.190
86 HB2 GLU 17 1HB GLU 17 3.892 -2.573 3.206
87 HB3 GLU 17 2HB GLU 17 5.647 -2.568 3.112
88 HG2 GLU 17 1HG GLU 17 4.048 -3.036 0.642
89 HG3 GLU 17 2HG GLU 17 4.223 -1.400 1.275
90 H CYS 18 H CYS 18 2.859 -4.574 4.389
91 HA CYS 18 HA CYS 18 4.563 -5.681 6.524
92 HB2 CYS 18 1HB CYS 18 3.153 -4.448 8.147
93 HB3 CYS 18 2HB CYS 18 4.024 -3.374 7.056
94 H GLY 19 H GLY 19 1.334 -5.531 5.105
95 HA2 GLY 19 1HA GLY 19 0.187 -7.680 4.810
96 HA3 GLY 19 2HA GLY 19 0.749 -8.113 6.417
97 H LYS 20 H LYS 20 -0.361 -4.888 5.867
98 HA LYS 20 HA LYS 20 -2.465 -5.229 7.795
99 HB2 LYS 20 1HB LYS 20 -1.336 -2.927 6.254
100 HB3 LYS 20 2HB LYS 20 -2.909 -2.753 7.020
101 HG2 LYS 20 1HG LYS 20 -0.670 -3.805 8.660
102 HG3 LYS 20 2HG LYS 20 -0.676 -2.087 8.253
103 HD2 LYS 20 1HD LYS 20 -2.927 -1.875 9.194
104 HD3 LYS 20 2HD LYS 20 -2.919 -3.593 9.600
105 HE2 LYS 20 1HE LYS 20 -0.774 -3.046 10.917
106 HE3 LYS 20 2HE LYS 20 -1.292 -1.366 10.778
107 HZ1 LYS 20 3HZ LYS 20 -2.614 -3.591 12.197
108 HZ2 LYS 20 1HZ LYS 20 -3.493 -2.227 11.718
109 HZ3 LYS 20 2HZ LYS 20 -2.190 -2.061 12.782
110 H ASN 21 H ASN 21 -4.683 -4.336 7.338
111 HA ASN 21 HA ASN 21 -5.559 -5.097 4.629
112 HB2 ASN 21 1HB ASN 21 -6.605 -5.880 7.305
113 HB3 ASN 21 2HB ASN 21 -7.781 -5.608 6.022
114 HD21 ASN 21 1HD2 ASN 21 -4.842 -7.387 6.816
115 HD22 ASN 21 2HD2 ASN 21 -5.184 -8.752 5.812
116 H PHE 22 H PHE 22 -6.900 -3.728 3.585
117 HA PHE 22 HA PHE 22 -8.136 -1.536 5.084
118 HB2 PHE 22 1HB PHE 22 -6.575 -1.101 2.532
119 HB3 PHE 22 2HB PHE 22 -7.361 0.131 3.513
120 HD1 PHE 22 HD2 PHE 22 -4.547 -2.231 3.349
121 HD2 PHE 22 HD1 PHE 22 -6.322 1.011 5.462
122 HE1 PHE 22 HE2 PHE 22 -2.467 -1.930 4.628
123 HE2 PHE 22 HE1 PHE 22 -4.244 1.317 6.743
124 HZ PHE 22 HZ PHE 22 -2.314 -0.155 6.329
125 H CYS 23 H CYS 23 -10.237 -1.726 4.698
126 HA CYS 23 HA CYS 23 -11.464 -3.187 2.715
127 HB2 CYS 23 1HB CYS 23 -12.610 -2.308 4.723
128 HB3 CYS 23 2HB CYS 23 -12.552 -0.690 4.033
129 HG CYS 23 HG CYS 23 -14.239 -3.319 2.633
130 H TYR 24 H TYR 24 -10.594 0.245 2.676
131 HA TYR 24 HA TYR 24 -11.327 0.347 -0.172
132 HB2 TYR 24 1HB TYR 24 -10.945 2.927 0.386
133 HB3 TYR 24 2HB TYR 24 -12.480 2.122 0.694
134 HD1 TYR 24 HD2 TYR 24 -12.729 1.060 3.082
135 HD2 TYR 24 HD1 TYR 24 -9.933 4.113 2.099
136 HE1 TYR 24 HE2 TYR 24 -12.584 1.684 5.456
137 HE2 TYR 24 HE1 TYR 24 -9.779 4.745 4.471
138 HH TYR 24 HH TYR 24 -11.968 3.606 6.821
139 H ILE 25 H ILE 25 -9.749 0.359 -1.619
140 HA ILE 25 HA ILE 25 -7.079 0.065 -1.131
141 HB ILE 25 HB ILE 25 -8.229 -0.179 -3.356
142 HG12 ILE 25 1HG1 ILE 25 -6.229 0.437 -4.658
143 HG13 ILE 25 2HG1 ILE 25 -5.659 1.419 -3.313
144 HG21 ILE 25 1HG2 ILE 25 -7.708 2.779 -3.598
145 HG22 ILE 25 2HG2 ILE 25 -8.434 1.720 -4.806
146 HG23 ILE 25 3HG2 ILE 25 -9.295 2.068 -3.307
147 HD11 ILE 25 3HD1 ILE 25 -5.082 -1.246 -3.805
148 HD12 ILE 25 1HD1 ILE 25 -4.739 -0.338 -2.333
149 HD13 ILE 25 2HD1 ILE 25 -6.228 -1.274 -2.465
150 H SER 26 H SER 26 -8.781 3.125 -1.733
151 HA SER 26 HA SER 26 -6.781 4.938 -1.837
152 HB2 SER 26 1HB SER 26 -9.437 5.066 -0.429
153 HB3 SER 26 2HB SER 26 -8.341 6.447 -0.418
154 HG SER 26 HG SER 26 -9.212 6.877 -2.279
155 H ALA 27 H ALA 27 -8.067 3.507 1.148
156 HA ALA 27 HA ALA 27 -6.489 4.907 2.973
157 HB1 ALA 27 3HB ALA 27 -6.870 2.244 3.913
158 HB2 ALA 27 1HB ALA 27 -7.702 3.721 4.399
159 HB3 ALA 27 2HB ALA 27 -8.322 2.760 3.055
160 H LEU 28 H LEU 28 -5.922 1.630 1.674
161 HA LEU 28 HA LEU 28 -3.501 1.069 2.797
162 HB2 LEU 28 1HB LEU 28 -4.449 -0.625 1.519
163 HB3 LEU 28 2HB LEU 28 -4.653 0.419 0.114
164 HG LEU 28 HG LEU 28 -2.191 0.370 -0.213
165 HD11 LEU 28 1HD1 LEU 28 -0.858 -0.376 1.389
166 HD12 LEU 28 2HD1 LEU 28 -1.580 -1.979 1.245
167 HD13 LEU 28 3HD1 LEU 28 -2.258 -0.805 2.373
168 HD21 LEU 28 3HD2 LEU 28 -3.021 -1.122 -1.677
169 HD22 LEU 28 1HD2 LEU 28 -4.012 -1.924 -0.458
170 HD23 LEU 28 2HD2 LEU 28 -2.296 -2.308 -0.591
171 H ARG 29 H ARG 29 -4.034 2.887 -0.212
172 HA ARG 29 HA ARG 29 -1.390 3.350 -0.906
173 HB2 ARG 29 1HB ARG 29 -3.667 5.306 -1.256
174 HB3 ARG 29 2HB ARG 29 -2.192 5.223 -2.209
175 HG2 ARG 29 1HG ARG 29 -4.244 3.026 -2.087
176 HG3 ARG 29 2HG ARG 29 -4.196 4.277 -3.331
177 HD2 ARG 29 1HD ARG 29 -2.094 2.199 -2.744
178 HD3 ARG 29 2HD ARG 29 -3.115 2.309 -4.177
179 HE ARG 29 HE ARG 29 -1.699 4.689 -4.004
180 HH11 ARG 29 1HH1 ARG 29 -1.025 1.299 -4.424
181 HH12 ARG 29 2HH1 ARG 29 0.415 1.566 -5.351
182 HH21 ARG 29 1HH2 ARG 29 0.194 5.054 -5.223
183 HH22 ARG 29 2HH2 ARG 29 1.108 3.703 -5.804
184 H ILE 30 H ILE 30 -3.488 5.205 1.266
185 HA ILE 30 HA ILE 30 -1.664 7.286 1.797
186 HB ILE 30 HB ILE 30 -3.902 6.220 3.522
187 HG12 ILE 30 1HG1 ILE 30 -3.867 8.666 1.750
188 HG13 ILE 30 2HG1 ILE 30 -4.478 7.103 1.220
189 HG21 ILE 30 1HG2 ILE 30 -3.643 8.812 4.228
190 HG22 ILE 30 2HG2 ILE 30 -2.887 7.475 5.093
191 HG23 ILE 30 3HG2 ILE 30 -1.959 8.395 3.910
192 HD11 ILE 30 3HD1 ILE 30 -6.386 8.225 1.870
193 HD12 ILE 30 1HD1 ILE 30 -6.002 7.255 3.291
194 HD13 ILE 30 2HD1 ILE 30 -5.598 8.972 3.259
195 H HIS 31 H HIS 31 -2.163 4.131 3.276
196 HA HIS 31 HA HIS 31 -0.381 4.592 5.465
197 HB2 HIS 31 1HB HIS 31 -1.884 2.922 5.985
198 HB3 HIS 31 2HB HIS 31 -1.850 2.240 4.361
199 HD1 HIS 31 HD1 HIS 31 0.199 2.327 7.535
200 HD2 HIS 31 HD2 HIS 31 -0.124 0.136 4.020
201 HE1 HIS 31 HE1 HIS 31 1.702 0.334 7.844
202 H GLN 32 H GLN 32 -0.097 3.199 2.252
203 HA GLN 32 HA GLN 32 2.361 1.936 2.457
204 HB2 GLN 32 1HB GLN 32 0.958 3.311 0.189
205 HB3 GLN 32 2HB GLN 32 2.574 2.653 -0.034
206 HG2 GLN 32 1HG GLN 32 1.575 0.474 0.909
207 HG3 GLN 32 2HG GLN 32 0.018 1.215 0.543
208 HE21 GLN 32 1HE2 GLN 32 -0.112 2.140 -1.726
209 HE22 GLN 32 2HE2 GLN 32 0.533 1.157 -2.991
210 H ARG 33 H ARG 33 1.611 5.314 2.409
211 HA ARG 33 HA ARG 33 4.036 6.389 1.542
212 HB2 ARG 33 1HB ARG 33 2.097 7.477 3.592
213 HB3 ARG 33 2HB ARG 33 3.384 8.404 2.834
214 HG2 ARG 33 1HG ARG 33 2.347 8.120 0.661
215 HG3 ARG 33 2HG ARG 33 1.082 7.121 1.379
216 HD2 ARG 33 1HD ARG 33 0.465 9.068 2.813
217 HD3 ARG 33 2HD ARG 33 1.620 10.039 1.903
218 HE ARG 33 HE ARG 33 -0.986 9.170 1.036
219 HH11 ARG 33 1HH1 ARG 33 2.159 10.285 0.042
220 HH12 ARG 33 2HH1 ARG 33 1.608 10.877 -1.490
221 HH21 ARG 33 1HH2 ARG 33 -1.723 9.947 -0.978
222 HH22 ARG 33 2HH2 ARG 33 -0.600 10.686 -2.069
223 H VAL 34 H VAL 34 3.190 4.843 4.516
224 HA VAL 34 HA VAL 34 5.315 5.907 6.097
225 HB VAL 34 HB VAL 34 4.745 4.261 7.739
226 HG11 VAL 34 1HG1 VAL 34 3.129 6.173 7.169
227 HG12 VAL 34 2HG1 VAL 34 2.107 4.915 6.472
228 HG13 VAL 34 3HG1 VAL 34 2.533 4.859 8.182
229 HG21 VAL 34 3HG2 VAL 34 3.741 2.785 5.400
230 HG22 VAL 34 1HG2 VAL 34 4.454 2.191 6.899
231 HG23 VAL 34 2HG2 VAL 34 2.754 2.656 6.855
232 H HIS 35 H HIS 35 4.996 3.256 3.866
233 HA HIS 35 HA HIS 35 7.395 1.912 4.704
234 HB2 HIS 35 1HB HIS 35 5.573 1.607 2.321
235 HB3 HIS 35 2HB HIS 35 7.046 0.659 2.505
236 HD1 HIS 35 HD1 HIS 35 7.107 -1.006 4.567
237 HD2 HIS 35 HD2 HIS 35 3.413 0.721 3.773
238 HE1 HIS 35 HE1 HIS 35 5.432 -2.392 5.831
239 H MET 36 H MET 36 6.518 4.292 2.287
240 HA MET 36 HA MET 36 9.085 4.177 0.970
241 HB2 MET 36 1HB MET 36 8.221 5.681 -0.572
242 HB3 MET 36 2HB MET 36 6.781 4.813 -0.055
243 HG2 MET 36 1HG MET 36 6.189 6.625 1.436
244 HG3 MET 36 2HG MET 36 7.667 7.484 1.010
245 HE1 MET 36 3HE MET 36 4.424 5.875 -0.478
246 HE2 MET 36 1HE MET 36 4.361 6.601 -2.084
247 HE3 MET 36 2HE MET 36 5.640 5.455 -1.685
248 H GLY 37 H GLY 37 7.540 6.066 3.466
249 HA2 GLY 37 1HA GLY 37 9.031 8.369 3.542
250 HA3 GLY 37 2HA GLY 37 8.440 7.548 4.979
251 H GLU 38 H GLU 38 11.124 8.796 3.654
252 HA GLU 38 HA GLU 38 13.375 8.490 3.893
253 HB2 GLU 38 1HB GLU 38 12.164 7.691 6.499
254 HB3 GLU 38 2HB GLU 38 13.883 7.406 6.261
255 HG2 GLU 38 1HG GLU 38 13.682 9.500 7.323
256 HG3 GLU 38 2HG GLU 38 14.097 9.827 5.641
257 H LYS 39 H LYS 39 12.463 6.597 2.242
258 HA LYS 39 HA LYS 39 13.614 4.060 3.182
259 HB2 LYS 39 1HB LYS 39 11.240 4.117 2.295
260 HB3 LYS 39 2HB LYS 39 11.924 4.480 0.717
261 HG2 LYS 39 1HG LYS 39 13.224 2.363 0.865
262 HG3 LYS 39 2HG LYS 39 12.349 1.991 2.353
263 HD2 LYS 39 1HD LYS 39 10.221 2.194 1.057
264 HD3 LYS 39 2HD LYS 39 11.192 2.349 -0.409
265 HE2 LYS 39 1HE LYS 39 11.970 0.159 -0.269
266 HE3 LYS 39 2HE LYS 39 11.578 0.028 1.445
267 HZ1 LYS 39 3HZ LYS 39 10.034 -0.789 -0.707
268 HZ2 LYS 39 1HZ LYS 39 9.233 0.544 -0.040
269 HZ3 LYS 39 2HZ LYS 39 9.603 -0.793 0.929
270 H CYS 40 H CYS 40 14.912 2.824 1.645
271 HA CYS 40 HA CYS 40 16.740 4.577 0.215
272 HB2 CYS 40 1HB CYS 40 17.532 2.773 1.792
273 HB3 CYS 40 2HB CYS 40 16.965 1.592 0.617
274 HG CYS 40 HG CYS 40 18.696 2.617 -1.420
275 H SER 41 H SER 41 15.596 5.141 -1.632
276 HA SER 41 HA SER 41 15.029 2.929 -3.495
277 HB2 SER 41 1HB SER 41 13.119 4.507 -2.623
278 HB3 SER 41 2HB SER 41 13.776 5.634 -3.809
279 HG SER 41 HG SER 41 13.286 4.232 -5.424
280 H GLY 42 H GLY 42 17.210 2.970 -4.243
281 HA2 GLY 42 1HA GLY 42 18.360 5.349 -5.345
282 HA3 GLY 42 2HA GLY 42 18.982 3.714 -5.519
283 HA PRO 43 HA PRO 43 16.580 5.361 -9.363
284 HB2 PRO 43 1HB PRO 43 18.541 6.673 -10.707
285 HB3 PRO 43 2HB PRO 43 17.445 7.479 -9.579
286 HG2 PRO 43 1HG PRO 43 20.247 6.521 -9.139
287 HG3 PRO 43 2HG PRO 43 19.491 8.042 -8.628
288 HD2 PRO 43 1HD PRO 43 19.837 5.949 -6.945
289 HD3 PRO 43 2HD PRO 43 18.464 7.066 -6.810
290 H SER 44 H SER 44 16.907 4.572 -11.535
291 HA SER 44 HA SER 44 19.117 2.652 -11.815
292 HB2 SER 44 1HB SER 44 16.241 2.117 -12.594
293 HB3 SER 44 2HB SER 44 17.598 1.008 -12.789
294 HG SER 44 HG SER 44 16.457 0.501 -10.912
295 H SER 45 H SER 45 20.163 2.759 -13.700
296 HA SER 45 HA SER 45 19.844 4.817 -15.505
297 HB2 SER 45 1HB SER 45 21.216 2.159 -15.648
298 HB3 SER 45 2HB SER 45 21.110 3.149 -17.103
299 HG SER 45 HG SER 45 21.913 4.861 -15.472
300 H GLY 46 H GLY 46 17.781 5.135 -16.258
301 HA2 GLY 46 1HA GLY 46 16.462 4.857 -18.248
302 HA3 GLY 46 2HA GLY 46 16.849 3.143 -18.215
Start of MODEL 10
1 H1 GLY 1 H GLY 1 8.804 -29.842 3.170
2 HA2 GLY 1 1HA GLY 1 7.000 -29.313 1.680
3 HA3 GLY 1 2HA GLY 1 5.969 -30.393 2.606
4 H SER 2 H SER 2 5.293 -27.742 1.892
5 HA SER 2 HA SER 2 4.386 -26.757 4.369
6 HB2 SER 2 1HB SER 2 5.677 -24.734 4.615
7 HB3 SER 2 2HB SER 2 6.800 -26.091 4.541
8 HG SER 2 HG SER 2 6.278 -24.099 2.637
9 H SER 3 H SER 3 2.535 -25.776 3.922
10 HA SER 3 HA SER 3 2.058 -24.821 1.204
11 HB2 SER 3 1HB SER 3 0.080 -25.122 3.475
12 HB3 SER 3 2HB SER 3 -0.296 -24.869 1.771
13 HG SER 3 HG SER 3 -0.491 -27.044 2.203
14 H GLY 4 H GLY 4 1.608 -22.735 0.676
15 HA2 GLY 4 1HA GLY 4 1.249 -20.764 2.803
16 HA3 GLY 4 2HA GLY 4 2.665 -20.580 1.779
17 H SER 5 H SER 5 -0.721 -21.455 1.100
18 HA SER 5 HA SER 5 -0.782 -19.245 -0.849
19 HB2 SER 5 1HB SER 5 -2.289 -21.869 -0.972
20 HB3 SER 5 2HB SER 5 -2.356 -20.580 -2.173
21 HG SER 5 HG SER 5 -0.762 -22.547 -2.282
22 H SER 6 H SER 6 -3.114 -18.576 -1.363
23 HA SER 6 HA SER 6 -4.504 -18.192 1.197
24 HB2 SER 6 1HB SER 6 -3.657 -16.253 -0.388
25 HB3 SER 6 2HB SER 6 -5.164 -16.588 -1.240
26 HG SER 6 HG SER 6 -4.967 -16.034 1.537
27 H GLY 7 H GLY 7 -5.322 -18.531 -2.264
28 HA2 GLY 7 1HA GLY 7 -6.831 -20.113 -3.154
29 HA3 GLY 7 2HA GLY 7 -7.441 -20.409 -1.533
30 H SER 8 H SER 8 -9.427 -19.703 -1.183
31 HA SER 8 HA SER 8 -10.875 -18.163 -3.028
32 HB2 SER 8 1HB SER 8 -11.369 -19.018 -0.192
33 HB3 SER 8 2HB SER 8 -12.483 -17.908 -0.989
34 HG SER 8 HG SER 8 -12.029 -20.601 -1.441
35 H GLY 9 H GLY 9 -9.551 -17.269 0.159
36 HA2 GLY 9 1HA GLY 9 -8.907 -15.231 0.998
37 HA3 GLY 9 2HA GLY 9 -8.826 -14.664 -0.663
38 H GLU 10 H GLU 10 -9.604 -12.842 1.083
39 HA GLU 10 HA GLU 10 -12.534 -12.720 0.787
40 HB2 GLU 10 1HB GLU 10 -11.354 -12.795 3.159
41 HB3 GLU 10 2HB GLU 10 -11.130 -11.079 2.846
42 HG2 GLU 10 1HG GLU 10 -13.118 -10.993 3.923
43 HG3 GLU 10 2HG GLU 10 -13.706 -11.214 2.276
44 H LYS 11 H LYS 11 -13.432 -10.556 0.515
45 HA LYS 11 HA LYS 11 -11.953 -9.065 -1.434
46 HB2 LYS 11 1HB LYS 11 -14.684 -8.863 -0.223
47 HB3 LYS 11 2HB LYS 11 -14.043 -7.503 -1.135
48 HG2 LYS 11 1HG LYS 11 -13.673 -9.051 -3.051
49 HG3 LYS 11 2HG LYS 11 -14.506 -10.305 -2.130
50 HD2 LYS 11 1HD LYS 11 -16.346 -8.404 -1.927
51 HD3 LYS 11 2HD LYS 11 -15.584 -7.854 -3.421
52 HE2 LYS 11 1HE LYS 11 -15.861 -10.228 -4.266
53 HE3 LYS 11 2HE LYS 11 -16.896 -10.505 -2.865
54 HZ1 LYS 11 3HZ LYS 11 -17.364 -8.378 -4.882
55 HZ2 LYS 11 1HZ LYS 11 -18.398 -8.830 -3.622
56 HZ3 LYS 11 2HZ LYS 11 -18.118 -9.892 -4.908
57 H SER 12 H SER 12 -10.140 -8.299 -0.285
58 HA SER 12 HA SER 12 -10.470 -5.728 0.864
59 HB2 SER 12 1HB SER 12 -9.722 -6.154 3.127
60 HB3 SER 12 2HB SER 12 -11.145 -7.145 2.808
61 HG SER 12 HG SER 12 -9.902 -8.710 3.464
62 H HIS 13 H HIS 13 -8.715 -4.611 0.335
63 HA HIS 13 HA HIS 13 -6.459 -5.841 -0.853
64 HB2 HIS 13 1HB HIS 13 -6.861 -3.005 0.117
65 HB3 HIS 13 2HB HIS 13 -5.502 -3.543 -0.865
66 HD1 HIS 13 HD1 HIS 13 -5.892 -3.819 -3.360
67 HD2 HIS 13 HD2 HIS 13 -9.357 -2.929 -1.249
68 HE1 HIS 13 HE1 HIS 13 -7.626 -3.297 -5.104
69 H THR 14 H THR 14 -4.409 -6.201 -0.102
70 HA THR 14 HA THR 14 -3.933 -5.702 2.762
71 HB THR 14 HB THR 14 -3.193 -8.203 1.230
72 HG1 THR 14 HG1 THR 14 -5.345 -8.267 1.854
73 HG21 THR 14 3HG2 THR 14 -2.849 -8.477 4.036
74 HG22 THR 14 1HG2 THR 14 -1.993 -7.022 3.526
75 HG23 THR 14 2HG2 THR 14 -1.627 -8.572 2.769
76 H CYS 15 H CYS 15 -2.061 -4.732 3.231
77 HA CYS 15 HA CYS 15 -0.345 -3.831 1.147
78 HB2 CYS 15 1HB CYS 15 -0.807 -2.570 3.258
79 HB3 CYS 15 2HB CYS 15 0.157 -3.759 4.128
80 H ASP 16 H ASP 16 1.160 -4.995 0.171
81 HA ASP 16 HA ASP 16 2.113 -7.472 1.224
82 HB2 ASP 16 1HB ASP 16 1.822 -6.888 -1.233
83 HB3 ASP 16 2HB ASP 16 3.300 -5.940 -1.090
84 H GLU 17 H GLU 17 2.989 -4.270 1.755
85 HA GLU 17 HA GLU 17 5.806 -4.614 2.088
86 HB2 GLU 17 1HB GLU 17 4.095 -2.463 3.333
87 HB3 GLU 17 2HB GLU 17 5.815 -2.394 2.974
88 HG2 GLU 17 1HG GLU 17 3.719 -2.688 0.844
89 HG3 GLU 17 2HG GLU 17 4.292 -1.124 1.421
90 H CYS 18 H CYS 18 3.040 -4.493 4.307
91 HA CYS 18 HA CYS 18 4.750 -5.729 6.363
92 HB2 CYS 18 1HB CYS 18 3.365 -4.543 8.064
93 HB3 CYS 18 2HB CYS 18 4.308 -3.457 7.048
94 H GLY 19 H GLY 19 1.561 -5.484 4.907
95 HA2 GLY 19 1HA GLY 19 0.376 -7.605 4.569
96 HA3 GLY 19 2HA GLY 19 0.876 -8.055 6.192
97 H LYS 20 H LYS 20 0.010 -4.796 5.959
98 HA LYS 20 HA LYS 20 -2.143 -5.037 7.745
99 HB2 LYS 20 1HB LYS 20 -1.062 -2.838 6.033
100 HB3 LYS 20 2HB LYS 20 -2.629 -2.620 6.800
101 HG2 LYS 20 1HG LYS 20 -0.292 -3.498 8.434
102 HG3 LYS 20 2HG LYS 20 -0.470 -1.800 7.987
103 HD2 LYS 20 1HD LYS 20 -2.612 -1.681 9.063
104 HD3 LYS 20 2HD LYS 20 -2.614 -3.422 9.354
105 HE2 LYS 20 1HE LYS 20 -0.359 -1.808 10.431
106 HE3 LYS 20 2HE LYS 20 -1.924 -1.697 11.235
107 HZ1 LYS 20 3HZ LYS 20 -0.002 -3.800 11.310
108 HZ2 LYS 20 1HZ LYS 20 -1.523 -4.378 10.848
109 HZ3 LYS 20 2HZ LYS 20 -1.344 -3.537 12.305
110 H ASN 21 H ASN 21 -4.353 -3.988 7.192
111 HA ASN 21 HA ASN 21 -5.302 -5.011 4.600
112 HB2 ASN 21 1HB ASN 21 -5.851 -6.398 6.759
113 HB3 ASN 21 2HB ASN 21 -7.055 -5.141 7.028
114 HD21 ASN 21 1HD2 ASN 21 -6.422 -8.059 5.559
115 HD22 ASN 21 2HD2 ASN 21 -7.769 -8.112 4.478
116 H PHE 22 H PHE 22 -6.881 -3.825 3.574
117 HA PHE 22 HA PHE 22 -8.055 -1.526 4.907
118 HB2 PHE 22 1HB PHE 22 -6.456 -1.143 2.371
119 HB3 PHE 22 2HB PHE 22 -7.251 0.103 3.328
120 HD1 PHE 22 HD2 PHE 22 -4.396 -2.187 3.147
121 HD2 PHE 22 HD1 PHE 22 -6.256 0.954 5.336
122 HE1 PHE 22 HE2 PHE 22 -2.323 -1.858 4.430
123 HE2 PHE 22 HE1 PHE 22 -4.185 1.289 6.622
124 HZ PHE 22 HZ PHE 22 -2.215 -0.119 6.170
125 H CYS 23 H CYS 23 -10.140 -1.807 4.482
126 HA CYS 23 HA CYS 23 -11.258 -3.339 2.477
127 HB2 CYS 23 1HB CYS 23 -12.568 -2.632 4.378
128 HB3 CYS 23 2HB CYS 23 -12.407 -0.942 3.915
129 HG CYS 23 HG CYS 23 -14.115 -3.294 2.107
130 H TYR 24 H TYR 24 -10.414 0.084 2.437
131 HA TYR 24 HA TYR 24 -11.159 0.188 -0.410
132 HB2 TYR 24 1HB TYR 24 -10.825 2.775 0.157
133 HB3 TYR 24 2HB TYR 24 -12.349 1.942 0.447
134 HD1 TYR 24 HD2 TYR 24 -12.463 0.760 2.850
135 HD2 TYR 24 HD1 TYR 24 -9.994 4.082 1.862
136 HE1 TYR 24 HE2 TYR 24 -12.354 1.379 5.228
137 HE2 TYR 24 HE1 TYR 24 -9.877 4.709 4.238
138 HH TYR 24 HH TYR 24 -11.728 4.075 6.401
139 H ILE 25 H ILE 25 -9.624 0.477 -1.902
140 HA ILE 25 HA ILE 25 -6.933 0.131 -1.411
141 HB ILE 25 HB ILE 25 -8.081 -0.038 -3.644
142 HG12 ILE 25 1HG1 ILE 25 -6.036 1.076 -4.859
143 HG13 ILE 25 2HG1 ILE 25 -5.448 1.329 -3.219
144 HG21 ILE 25 1HG2 ILE 25 -7.568 2.920 -3.836
145 HG22 ILE 25 2HG2 ILE 25 -8.391 1.881 -4.999
146 HG23 ILE 25 3HG2 ILE 25 -9.146 2.236 -3.445
147 HD11 ILE 25 3HD1 ILE 25 -6.375 -1.390 -3.914
148 HD12 ILE 25 1HD1 ILE 25 -4.866 -0.834 -4.638
149 HD13 ILE 25 2HD1 ILE 25 -5.042 -0.870 -2.883
150 H SER 26 H SER 26 -8.691 3.183 -1.863
151 HA SER 26 HA SER 26 -6.703 5.024 -1.889
152 HB2 SER 26 1HB SER 26 -9.413 5.041 -0.613
153 HB3 SER 26 2HB SER 26 -8.334 6.412 -0.359
154 HG SER 26 HG SER 26 -9.861 5.929 -2.452
155 H ALA 27 H ALA 27 -8.068 3.552 1.047
156 HA ALA 27 HA ALA 27 -6.502 4.877 2.927
157 HB1 ALA 27 3HB ALA 27 -7.867 3.702 4.223
158 HB2 ALA 27 1HB ALA 27 -8.276 2.623 2.890
159 HB3 ALA 27 2HB ALA 27 -6.877 2.277 3.908
160 H LEU 28 H LEU 28 -5.909 1.709 1.401
161 HA LEU 28 HA LEU 28 -3.520 1.063 2.601
162 HB2 LEU 28 1HB LEU 28 -4.436 -0.583 1.249
163 HB3 LEU 28 2HB LEU 28 -4.646 0.515 -0.113
164 HG LEU 28 HG LEU 28 -2.183 0.496 -0.439
165 HD11 LEU 28 1HD1 LEU 28 -2.335 -1.076 2.026
166 HD12 LEU 28 2HD1 LEU 28 -1.002 -0.137 1.355
167 HD13 LEU 28 3HD1 LEU 28 -1.306 -1.775 0.776
168 HD21 LEU 28 3HD2 LEU 28 -2.439 -1.196 -1.872
169 HD22 LEU 28 1HD2 LEU 28 -4.065 -1.358 -1.208
170 HD23 LEU 28 2HD2 LEU 28 -2.753 -2.355 -0.579
171 H ARG 29 H ARG 29 -4.010 3.033 -0.314
172 HA ARG 29 HA ARG 29 -1.340 3.499 -0.944
173 HB2 ARG 29 1HB ARG 29 -3.609 5.465 -1.292
174 HB3 ARG 29 2HB ARG 29 -2.112 5.405 -2.213
175 HG2 ARG 29 1HG ARG 29 -4.141 3.186 -2.197
176 HG3 ARG 29 2HG ARG 29 -4.123 4.493 -3.383
177 HD2 ARG 29 1HD ARG 29 -1.901 2.518 -2.873
178 HD3 ARG 29 2HD ARG 29 -3.004 2.507 -4.248
179 HE ARG 29 HE ARG 29 -1.874 4.964 -4.372
180 HH11 ARG 29 1HH1 ARG 29 -0.586 1.737 -4.154
181 HH12 ARG 29 2HH1 ARG 29 0.863 2.116 -5.026
182 HH21 ARG 29 1HH2 ARG 29 0.029 5.476 -5.521
183 HH22 ARG 29 2HH2 ARG 29 1.212 4.243 -5.802
184 H ILE 30 H ILE 30 -3.491 5.247 1.257
185 HA ILE 30 HA ILE 30 -1.676 7.319 1.895
186 HB ILE 30 HB ILE 30 -3.990 6.225 3.497
187 HG12 ILE 30 1HG1 ILE 30 -3.910 8.781 1.907
188 HG13 ILE 30 2HG1 ILE 30 -4.367 7.252 1.164
189 HG21 ILE 30 1HG2 ILE 30 -1.970 8.183 4.155
190 HG22 ILE 30 2HG2 ILE 30 -3.585 8.889 4.173
191 HG23 ILE 30 3HG2 ILE 30 -3.229 7.479 5.170
192 HD11 ILE 30 3HD1 ILE 30 -6.291 8.613 1.878
193 HD12 ILE 30 1HD1 ILE 30 -6.234 7.032 2.658
194 HD13 ILE 30 2HD1 ILE 30 -5.737 8.473 3.546
195 H HIS 31 H HIS 31 -2.319 4.162 3.338
196 HA HIS 31 HA HIS 31 -0.650 4.508 5.603
197 HB2 HIS 31 1HB HIS 31 -2.118 2.762 5.919
198 HB3 HIS 31 2HB HIS 31 -1.968 2.194 4.259
199 HD1 HIS 31 HD1 HIS 31 -0.032 2.174 7.515
200 HD2 HIS 31 HD2 HIS 31 -0.243 0.106 3.917
201 HE1 HIS 31 HE1 HIS 31 1.489 0.190 7.789
202 H GLN 32 H GLN 32 -0.120 3.059 2.412
203 HA GLN 32 HA GLN 32 2.358 1.950 2.701
204 HB2 GLN 32 1HB GLN 32 1.099 3.423 0.409
205 HB3 GLN 32 2HB GLN 32 2.736 2.794 0.274
206 HG2 GLN 32 1HG GLN 32 1.712 0.558 1.017
207 HG3 GLN 32 2HG GLN 32 0.167 1.297 0.598
208 HE21 GLN 32 1HE2 GLN 32 0.001 2.188 -1.605
209 HE22 GLN 32 2HE2 GLN 32 0.801 1.350 -2.887
210 H ARG 33 H ARG 33 1.552 5.355 2.490
211 HA ARG 33 HA ARG 33 3.900 6.578 1.908
212 HB2 ARG 33 1HB ARG 33 1.958 7.323 4.101
213 HB3 ARG 33 2HB ARG 33 3.223 8.384 3.497
214 HG2 ARG 33 1HG ARG 33 2.205 8.506 1.350
215 HG3 ARG 33 2HG ARG 33 1.055 7.232 1.762
216 HD2 ARG 33 1HD ARG 33 -0.233 9.118 2.049
217 HD3 ARG 33 2HD ARG 33 0.377 8.861 3.683
218 HE ARG 33 HE ARG 33 1.040 11.032 1.893
219 HH11 ARG 33 1HH1 ARG 33 1.918 9.246 4.749
220 HH12 ARG 33 2HH1 ARG 33 2.872 10.529 5.417
221 HH21 ARG 33 1HH2 ARG 33 2.293 12.729 2.761
222 HH22 ARG 33 2HH2 ARG 33 3.084 12.510 4.285
223 H VAL 34 H VAL 34 3.011 5.201 5.052
224 HA VAL 34 HA VAL 34 5.234 5.991 6.522
225 HB VAL 34 HB VAL 34 4.706 4.295 8.089
226 HG11 VAL 34 1HG1 VAL 34 2.928 6.097 7.449
227 HG12 VAL 34 2HG1 VAL 34 2.009 4.703 6.877
228 HG13 VAL 34 3HG1 VAL 34 2.510 4.798 8.565
229 HG21 VAL 34 3HG2 VAL 34 2.982 2.489 7.333
230 HG22 VAL 34 1HG2 VAL 34 3.592 2.858 5.720
231 HG23 VAL 34 2HG2 VAL 34 4.694 2.278 6.969
232 H HIS 35 H HIS 35 4.823 3.279 4.315
233 HA HIS 35 HA HIS 35 7.297 2.016 4.940
234 HB2 HIS 35 1HB HIS 35 5.371 1.783 2.636
235 HB3 HIS 35 2HB HIS 35 6.885 0.884 2.668
236 HD1 HIS 35 HD1 HIS 35 7.161 -0.754 4.818
237 HD2 HIS 35 HD2 HIS 35 3.321 0.579 3.955
238 HE1 HIS 35 HE1 HIS 35 5.616 -2.315 6.043
239 H MET 36 H MET 36 6.300 4.481 2.654
240 HA MET 36 HA MET 36 8.508 4.482 0.953
241 HB2 MET 36 1HB MET 36 6.847 6.839 1.862
242 HB3 MET 36 2HB MET 36 7.911 6.822 0.462
243 HG2 MET 36 1HG MET 36 6.455 4.810 -0.292
244 HG3 MET 36 2HG MET 36 5.292 5.455 0.864
245 HE1 MET 36 3HE MET 36 5.510 9.164 -0.261
246 HE2 MET 36 1HE MET 36 3.966 8.348 -0.012
247 HE3 MET 36 2HE MET 36 5.316 8.030 1.077
248 H GLY 37 H GLY 37 10.499 5.463 0.988
249 HA2 GLY 37 1HA GLY 37 11.267 7.216 3.150
250 HA3 GLY 37 2HA GLY 37 11.984 5.614 3.250
251 H GLU 38 H GLU 38 11.603 8.389 1.070
252 HA GLU 38 HA GLU 38 14.388 8.131 0.293
253 HB2 GLU 38 1HB GLU 38 12.750 6.788 -1.286
254 HB3 GLU 38 2HB GLU 38 12.437 8.383 -1.956
255 HG2 GLU 38 1HG GLU 38 14.693 8.657 -2.605
256 HG3 GLU 38 2HG GLU 38 15.205 7.254 -1.668
257 H LYS 39 H LYS 39 15.106 9.989 -1.043
258 HA LYS 39 HA LYS 39 14.074 12.426 0.049
259 HB2 LYS 39 1HB LYS 39 16.261 11.789 -1.921
260 HB3 LYS 39 2HB LYS 39 15.811 13.446 -1.543
261 HG2 LYS 39 1HG LYS 39 17.505 13.160 -0.057
262 HG3 LYS 39 2HG LYS 39 16.152 12.609 0.934
263 HD2 LYS 39 1HD LYS 39 17.810 10.970 1.215
264 HD3 LYS 39 2HD LYS 39 16.680 10.272 0.052
265 HE2 LYS 39 1HE LYS 39 18.708 9.814 -0.941
266 HE3 LYS 39 2HE LYS 39 18.275 11.339 -1.712
267 HZ1 LYS 39 3HZ LYS 39 19.671 12.483 -0.067
268 HZ2 LYS 39 1HZ LYS 39 20.559 11.398 -1.013
269 HZ3 LYS 39 2HZ LYS 39 20.139 10.989 0.573
270 H CYS 40 H CYS 40 14.456 11.289 -3.314
271 HA CYS 40 HA CYS 40 12.336 13.159 -4.107
272 HB2 CYS 40 1HB CYS 40 14.544 11.808 -5.651
273 HB3 CYS 40 2HB CYS 40 13.191 12.592 -6.456
274 HG CYS 40 HG CYS 40 15.834 13.957 -4.890
275 H SER 41 H SER 41 10.374 12.310 -4.223
276 HA SER 41 HA SER 41 9.949 9.480 -4.461
277 HB2 SER 41 1HB SER 41 8.119 11.863 -4.254
278 HB3 SER 41 2HB SER 41 7.488 10.248 -4.572
279 HG SER 41 HG SER 41 7.614 9.962 -2.504
280 H GLY 42 H GLY 42 10.591 8.730 -6.436
281 HA2 GLY 42 1HA GLY 42 10.587 8.392 -8.711
282 HA3 GLY 42 2HA GLY 42 8.870 8.747 -8.581
283 HA PRO 43 HA PRO 43 11.035 11.943 -11.252
284 HB2 PRO 43 1HB PRO 43 9.563 11.497 -13.489
285 HB3 PRO 43 2HB PRO 43 11.055 10.620 -13.130
286 HG2 PRO 43 1HG PRO 43 8.214 9.771 -12.721
287 HG3 PRO 43 2HG PRO 43 9.581 8.836 -13.356
288 HD2 PRO 43 1HD PRO 43 8.713 8.596 -10.803
289 HD3 PRO 43 2HD PRO 43 10.418 8.395 -11.255
290 H SER 44 H SER 44 10.211 13.767 -10.376
291 HA SER 44 HA SER 44 7.344 14.218 -10.312
292 HB2 SER 44 1HB SER 44 7.789 16.041 -8.888
293 HB3 SER 44 2HB SER 44 9.009 14.846 -8.448
294 HG SER 44 HG SER 44 10.324 16.456 -8.802
295 H SER 45 H SER 45 6.243 15.316 -11.793
296 HA SER 45 HA SER 45 7.727 17.086 -13.621
297 HB2 SER 45 1HB SER 45 6.928 14.850 -14.599
298 HB3 SER 45 2HB SER 45 5.297 15.506 -14.455
299 HG SER 45 HG SER 45 7.404 16.818 -15.826
300 H GLY 46 H GLY 46 7.150 18.868 -12.286
301 HA2 GLY 46 1HA GLY 46 5.772 20.814 -12.421
302 HA3 GLY 46 2HA GLY 46 4.399 19.777 -12.780
Start of MODEL 11
1 H1 GLY 1 H GLY 1 2.637 -29.329 -13.225
2 HA2 GLY 1 1HA GLY 1 2.705 -27.613 -11.685
3 HA3 GLY 1 2HA GLY 1 1.848 -26.606 -12.843
4 H SER 2 H SER 2 1.644 -28.175 -9.903
5 HA SER 2 HA SER 2 -1.205 -28.653 -9.939
6 HB2 SER 2 1HB SER 2 0.164 -30.128 -8.596
7 HB3 SER 2 2HB SER 2 0.833 -28.761 -7.704
8 HG SER 2 HG SER 2 -1.067 -28.486 -6.673
9 H SER 3 H SER 3 1.012 -26.328 -8.438
10 HA SER 3 HA SER 3 -0.496 -24.855 -6.802
11 HB2 SER 3 1HB SER 3 0.853 -22.976 -7.265
12 HB3 SER 3 2HB SER 3 1.866 -24.354 -7.696
13 HG SER 3 HG SER 3 1.201 -22.335 -9.228
14 H GLY 4 H GLY 4 -1.949 -23.095 -6.923
15 HA2 GLY 4 1HA GLY 4 -3.205 -22.582 -9.519
16 HA3 GLY 4 2HA GLY 4 -4.218 -23.223 -8.233
17 H SER 5 H SER 5 -5.517 -21.569 -7.712
18 HA SER 5 HA SER 5 -4.239 -18.997 -7.050
19 HB2 SER 5 1HB SER 5 -5.862 -19.053 -9.031
20 HB3 SER 5 2HB SER 5 -7.134 -19.315 -7.838
21 HG SER 5 HG SER 5 -5.370 -17.212 -7.376
22 H SER 6 H SER 6 -3.937 -19.211 -4.887
23 HA SER 6 HA SER 6 -5.911 -20.373 -3.161
24 HB2 SER 6 1HB SER 6 -3.557 -20.564 -2.583
25 HB3 SER 6 2HB SER 6 -3.393 -18.809 -2.543
26 HG SER 6 HG SER 6 -4.977 -18.853 -0.820
27 H GLY 7 H GLY 7 -4.709 -17.073 -3.729
28 HA2 GLY 7 1HA GLY 7 -5.930 -15.092 -3.635
29 HA3 GLY 7 2HA GLY 7 -7.309 -16.000 -3.034
30 H SER 8 H SER 8 -6.054 -13.462 -2.118
31 HA SER 8 HA SER 8 -4.629 -13.776 0.251
32 HB2 SER 8 1HB SER 8 -6.629 -11.623 -0.479
33 HB3 SER 8 2HB SER 8 -5.472 -11.521 0.848
34 HG SER 8 HG SER 8 -3.803 -11.555 -0.635
35 H GLY 9 H GLY 9 -8.148 -13.517 -0.224
36 HA2 GLY 9 1HA GLY 9 -9.167 -15.347 1.376
37 HA3 GLY 9 2HA GLY 9 -8.577 -14.215 2.583
38 H GLU 10 H GLU 10 -9.296 -11.870 2.148
39 HA GLU 10 HA GLU 10 -12.170 -11.948 1.521
40 HB2 GLU 10 1HB GLU 10 -11.135 -11.234 3.857
41 HB3 GLU 10 2HB GLU 10 -10.951 -9.688 3.039
42 HG2 GLU 10 1HG GLU 10 -13.005 -9.375 3.932
43 HG3 GLU 10 2HG GLU 10 -13.482 -10.133 2.414
44 H LYS 11 H LYS 11 -13.105 -9.998 0.562
45 HA LYS 11 HA LYS 11 -11.553 -9.121 -1.681
46 HB2 LYS 11 1HB LYS 11 -14.049 -9.580 -1.676
47 HB3 LYS 11 2HB LYS 11 -14.242 -8.059 -0.813
48 HG2 LYS 11 1HG LYS 11 -13.155 -6.893 -2.701
49 HG3 LYS 11 2HG LYS 11 -13.090 -8.428 -3.571
50 HD2 LYS 11 1HD LYS 11 -15.557 -8.578 -3.403
51 HD3 LYS 11 2HD LYS 11 -15.573 -6.987 -2.639
52 HE2 LYS 11 1HE LYS 11 -14.347 -7.478 -5.341
53 HE3 LYS 11 2HE LYS 11 -16.048 -7.065 -5.133
54 HZ1 LYS 11 3HZ LYS 11 -13.673 -5.409 -4.745
55 HZ2 LYS 11 1HZ LYS 11 -14.989 -5.133 -3.718
56 HZ3 LYS 11 2HZ LYS 11 -15.181 -5.000 -5.394
57 H SER 12 H SER 12 -10.153 -8.304 0.469
58 HA SER 12 HA SER 12 -10.487 -5.385 0.374
59 HB2 SER 12 1HB SER 12 -9.813 -5.243 2.748
60 HB3 SER 12 2HB SER 12 -11.317 -6.142 2.549
61 HG SER 12 HG SER 12 -8.857 -6.990 3.447
62 H HIS 13 H HIS 13 -8.700 -4.332 -0.201
63 HA HIS 13 HA HIS 13 -6.393 -5.593 -1.081
64 HB2 HIS 13 1HB HIS 13 -6.675 -2.737 -0.122
65 HB3 HIS 13 2HB HIS 13 -5.371 -3.356 -1.131
66 HD1 HIS 13 HD1 HIS 13 -5.849 -3.669 -3.619
67 HD2 HIS 13 HD2 HIS 13 -9.160 -2.429 -1.439
68 HE1 HIS 13 HE1 HIS 13 -7.573 -3.015 -5.329
69 H THR 14 H THR 14 -4.366 -5.946 -0.230
70 HA THR 14 HA THR 14 -4.029 -5.451 2.651
71 HB THR 14 HB THR 14 -3.312 -8.011 1.209
72 HG1 THR 14 HG1 THR 14 -4.845 -8.699 3.058
73 HG21 THR 14 3HG2 THR 14 -2.335 -8.796 3.170
74 HG22 THR 14 1HG2 THR 14 -3.110 -7.565 4.167
75 HG23 THR 14 2HG2 THR 14 -1.777 -7.125 3.099
76 H CYS 15 H CYS 15 -2.110 -4.620 3.226
77 HA CYS 15 HA CYS 15 -0.271 -3.791 1.214
78 HB2 CYS 15 1HB CYS 15 -0.789 -2.551 3.355
79 HB3 CYS 15 2HB CYS 15 0.176 -3.757 4.201
80 H ASP 16 H ASP 16 1.145 -5.091 0.269
81 HA ASP 16 HA ASP 16 1.973 -7.573 1.422
82 HB2 ASP 16 1HB ASP 16 3.346 -6.290 -0.921
83 HB3 ASP 16 2HB ASP 16 3.049 -7.999 -0.609
84 H GLU 17 H GLU 17 3.073 -4.368 1.665
85 HA GLU 17 HA GLU 17 5.846 -4.836 2.035
86 HB2 GLU 17 1HB GLU 17 4.120 -2.574 3.060
87 HB3 GLU 17 2HB GLU 17 5.878 -2.583 3.034
88 HG2 GLU 17 1HG GLU 17 4.395 -3.019 0.491
89 HG3 GLU 17 2HG GLU 17 4.508 -1.390 1.155
90 H CYS 18 H CYS 18 3.134 -4.494 4.301
91 HA CYS 18 HA CYS 18 4.849 -5.669 6.391
92 HB2 CYS 18 1HB CYS 18 3.502 -4.438 8.047
93 HB3 CYS 18 2HB CYS 18 4.308 -3.349 6.922
94 H GLY 19 H GLY 19 1.574 -5.456 5.069
95 HA2 GLY 19 1HA GLY 19 0.446 -7.635 4.754
96 HA3 GLY 19 2HA GLY 19 0.991 -8.043 6.374
97 H LYS 20 H LYS 20 -0.106 -4.826 5.749
98 HA LYS 20 HA LYS 20 -2.216 -5.110 7.675
99 HB2 LYS 20 1HB LYS 20 -1.045 -2.870 6.092
100 HB3 LYS 20 2HB LYS 20 -2.661 -2.658 6.753
101 HG2 LYS 20 1HG LYS 20 -0.477 -3.613 8.540
102 HG3 LYS 20 2HG LYS 20 -0.556 -1.905 8.101
103 HD2 LYS 20 1HD LYS 20 -2.891 -1.842 8.908
104 HD3 LYS 20 2HD LYS 20 -2.736 -3.526 9.417
105 HE2 LYS 20 1HE LYS 20 -0.864 -1.386 10.387
106 HE3 LYS 20 2HE LYS 20 -2.397 -1.719 11.191
107 HZ1 LYS 20 3HZ LYS 20 -1.655 -3.680 11.995
108 HZ2 LYS 20 1HZ LYS 20 -0.148 -2.924 11.854
109 HZ3 LYS 20 2HZ LYS 20 -0.667 -4.003 10.660
110 H ASN 21 H ASN 21 -4.440 -4.275 7.199
111 HA ASN 21 HA ASN 21 -5.312 -5.128 4.516
112 HB2 ASN 21 1HB ASN 21 -6.599 -5.600 7.204
113 HB3 ASN 21 2HB ASN 21 -7.481 -5.778 5.690
114 HD21 ASN 21 1HD2 ASN 21 -7.215 -7.577 4.493
115 HD22 ASN 21 2HD2 ASN 21 -6.182 -8.892 4.930
116 H PHE 22 H PHE 22 -6.866 -3.917 3.486
117 HA PHE 22 HA PHE 22 -8.050 -1.643 4.867
118 HB2 PHE 22 1HB PHE 22 -6.448 -1.274 2.329
119 HB3 PHE 22 2HB PHE 22 -7.286 -0.019 3.235
120 HD1 PHE 22 HD1 PHE 22 -6.392 0.811 5.333
121 HD2 PHE 22 HD2 PHE 22 -4.343 -2.164 3.081
122 HE1 PHE 22 HE1 PHE 22 -4.356 1.220 6.652
123 HE2 PHE 22 HE2 PHE 22 -2.304 -1.761 4.398
124 HZ PHE 22 HZ PHE 22 -2.309 -0.068 6.186
125 H CYS 23 H CYS 23 -10.142 -1.904 4.470
126 HA CYS 23 HA CYS 23 -11.323 -3.435 2.520
127 HB2 CYS 23 1HB CYS 23 -12.321 -2.157 4.592
128 HB3 CYS 23 2HB CYS 23 -12.689 -0.920 3.396
129 HG CYS 23 HG CYS 23 -13.658 -3.887 2.316
130 H TYR 24 H TYR 24 -10.540 0.018 2.380
131 HA TYR 24 HA TYR 24 -11.182 -0.016 -0.493
132 HB2 TYR 24 1HB TYR 24 -10.969 2.601 -0.015
133 HB3 TYR 24 2HB TYR 24 -12.469 1.720 0.255
134 HD1 TYR 24 HD2 TYR 24 -12.966 0.900 2.614
135 HD2 TYR 24 HD1 TYR 24 -9.906 3.727 1.748
136 HE1 TYR 24 HE2 TYR 24 -12.965 1.612 4.968
137 HE2 TYR 24 HE1 TYR 24 -9.896 4.446 4.101
138 HH TYR 24 HH TYR 24 -11.525 4.425 6.039
139 H ILE 25 H ILE 25 -9.597 0.231 -1.932
140 HA ILE 25 HA ILE 25 -6.930 -0.009 -1.387
141 HB ILE 25 HB ILE 25 -7.986 -0.181 -3.651
142 HG12 ILE 25 1HG1 ILE 25 -5.995 0.808 -4.857
143 HG13 ILE 25 2HG1 ILE 25 -5.486 1.482 -3.313
144 HG21 ILE 25 1HG2 ILE 25 -7.624 2.804 -3.776
145 HG22 ILE 25 2HG2 ILE 25 -8.343 1.748 -4.990
146 HG23 ILE 25 3HG2 ILE 25 -9.174 2.025 -3.460
147 HD11 ILE 25 3HD1 ILE 25 -5.968 -1.230 -2.838
148 HD12 ILE 25 1HD1 ILE 25 -5.096 -1.149 -4.368
149 HD13 ILE 25 2HD1 ILE 25 -4.411 -0.407 -2.922
150 H SER 26 H SER 26 -8.697 3.033 -1.915
151 HA SER 26 HA SER 26 -6.747 4.897 -1.835
152 HB2 SER 26 1HB SER 26 -8.950 5.706 -2.015
153 HB3 SER 26 2HB SER 26 -9.463 4.898 -0.534
154 HG SER 26 HG SER 26 -8.381 7.360 -0.866
155 H ALA 27 H ALA 27 -8.172 3.356 1.036
156 HA ALA 27 HA ALA 27 -6.683 4.692 2.977
157 HB1 ALA 27 3HB ALA 27 -7.066 2.094 3.942
158 HB2 ALA 27 1HB ALA 27 -8.093 3.503 4.211
159 HB3 ALA 27 2HB ALA 27 -8.428 2.411 2.867
160 H LEU 28 H LEU 28 -6.029 1.515 1.492
161 HA LEU 28 HA LEU 28 -3.660 0.909 2.752
162 HB2 LEU 28 1HB LEU 28 -4.535 -0.766 1.407
163 HB3 LEU 28 2HB LEU 28 -4.723 0.309 0.023
164 HG LEU 28 HG LEU 28 -2.290 0.283 -0.312
165 HD11 LEU 28 1HD1 LEU 28 -1.477 -1.937 1.171
166 HD12 LEU 28 2HD1 LEU 28 -2.335 -0.899 2.309
167 HD13 LEU 28 3HD1 LEU 28 -0.974 -0.261 1.388
168 HD21 LEU 28 3HD2 LEU 28 -2.201 -1.805 -1.345
169 HD22 LEU 28 1HD2 LEU 28 -3.926 -1.442 -1.283
170 HD23 LEU 28 2HD2 LEU 28 -3.218 -2.562 -0.118
171 H ARG 29 H ARG 29 -4.097 2.809 -0.220
172 HA ARG 29 HA ARG 29 -1.426 3.293 -0.806
173 HB2 ARG 29 1HB ARG 29 -3.698 5.244 -1.206
174 HB3 ARG 29 2HB ARG 29 -2.187 5.184 -2.103
175 HG2 ARG 29 1HG ARG 29 -4.228 2.974 -2.100
176 HG3 ARG 29 2HG ARG 29 -4.150 4.253 -3.313
177 HD2 ARG 29 1HD ARG 29 -2.015 2.216 -2.694
178 HD3 ARG 29 2HD ARG 29 -3.028 2.276 -4.135
179 HE ARG 29 HE ARG 29 -0.696 3.876 -3.579
180 HH11 ARG 29 1HH1 ARG 29 -3.622 3.586 -5.441
181 HH12 ARG 29 2HH1 ARG 29 -3.070 4.624 -6.714
182 HH21 ARG 29 1HH2 ARG 29 0.043 5.244 -5.248
183 HH22 ARG 29 2HH2 ARG 29 -0.985 5.566 -6.603
184 H ILE 30 H ILE 30 -3.619 5.077 1.329
185 HA ILE 30 HA ILE 30 -1.875 7.183 1.967
186 HB ILE 30 HB ILE 30 -4.081 5.976 3.640
187 HG12 ILE 30 1HG1 ILE 30 -4.180 8.506 2.006
188 HG13 ILE 30 2HG1 ILE 30 -4.611 6.942 1.323
189 HG21 ILE 30 1HG2 ILE 30 -3.428 8.791 4.042
190 HG22 ILE 30 2HG2 ILE 30 -3.736 7.518 5.222
191 HG23 ILE 30 3HG2 ILE 30 -2.132 7.691 4.510
192 HD11 ILE 30 3HD1 ILE 30 -6.311 6.709 3.125
193 HD12 ILE 30 1HD1 ILE 30 -5.948 8.366 3.606
194 HD13 ILE 30 2HD1 ILE 30 -6.608 8.037 2.004
195 H HIS 31 H HIS 31 -2.367 4.016 3.467
196 HA HIS 31 HA HIS 31 -0.630 4.438 5.661
197 HB2 HIS 31 1HB HIS 31 -2.054 2.650 6.012
198 HB3 HIS 31 2HB HIS 31 -1.872 2.045 4.368
199 HD1 HIS 31 HD1 HIS 31 -0.047 2.127 7.673
200 HD2 HIS 31 HD2 HIS 31 0.049 0.109 4.042
201 HE1 HIS 31 HE1 HIS 31 1.589 0.244 7.992
202 H GLN 32 H GLN 32 -0.154 2.901 2.496
203 HA GLN 32 HA GLN 32 2.362 1.904 2.697
204 HB2 GLN 32 1HB GLN 32 1.044 3.376 0.428
205 HB3 GLN 32 2HB GLN 32 2.656 2.690 0.266
206 HG2 GLN 32 1HG GLN 32 1.558 0.501 1.069
207 HG3 GLN 32 2HG GLN 32 0.042 1.292 0.641
208 HE21 GLN 32 1HE2 GLN 32 -0.074 2.174 -1.581
209 HE22 GLN 32 2HE2 GLN 32 0.678 1.272 -2.848
210 H ARG 33 H ARG 33 1.454 5.282 2.529
211 HA ARG 33 HA ARG 33 3.745 6.575 1.866
212 HB2 ARG 33 1HB ARG 33 1.867 7.262 4.134
213 HB3 ARG 33 2HB ARG 33 3.069 8.361 3.471
214 HG2 ARG 33 1HG ARG 33 1.927 8.085 1.244
215 HG3 ARG 33 2HG ARG 33 0.635 7.251 2.108
216 HD2 ARG 33 1HD ARG 33 -0.152 9.420 2.051
217 HD3 ARG 33 2HD ARG 33 0.644 9.361 3.623
218 HE ARG 33 HE ARG 33 2.459 10.247 1.650
219 HH11 ARG 33 1HH1 ARG 33 -0.324 11.295 3.461
220 HH12 ARG 33 2HH1 ARG 33 0.102 12.973 3.393
221 HH21 ARG 33 1HH2 ARG 33 3.030 12.453 1.554
222 HH22 ARG 33 2HH2 ARG 33 2.009 13.631 2.307
223 H VAL 34 H VAL 34 3.045 5.005 4.947
224 HA VAL 34 HA VAL 34 5.268 5.905 6.392
225 HB VAL 34 HB VAL 34 4.876 4.127 7.923
226 HG11 VAL 34 1HG1 VAL 34 3.011 5.915 7.364
227 HG12 VAL 34 2HG1 VAL 34 2.101 4.471 6.915
228 HG13 VAL 34 3HG1 VAL 34 2.741 4.639 8.551
229 HG21 VAL 34 3HG2 VAL 34 4.883 2.221 6.496
230 HG22 VAL 34 1HG2 VAL 34 3.327 2.241 7.327
231 HG23 VAL 34 2HG2 VAL 34 3.437 2.772 5.649
232 H HIS 35 H HIS 35 4.883 3.183 4.181
233 HA HIS 35 HA HIS 35 7.444 2.046 4.682
234 HB2 HIS 35 1HB HIS 35 5.456 1.724 2.437
235 HB3 HIS 35 2HB HIS 35 6.992 0.863 2.466
236 HD1 HIS 35 HD1 HIS 35 7.332 -0.739 4.626
237 HD2 HIS 35 HD2 HIS 35 3.453 0.511 3.822
238 HE1 HIS 35 HE1 HIS 35 5.841 -2.310 5.904
239 H MET 36 H MET 36 6.194 4.363 2.338
240 HA MET 36 HA MET 36 8.232 4.520 0.521
241 HB2 MET 36 1HB MET 36 6.360 6.544 1.664
242 HB3 MET 36 2HB MET 36 7.669 7.104 0.632
243 HG2 MET 36 1HG MET 36 5.834 6.825 -0.788
244 HG3 MET 36 2HG MET 36 6.861 5.422 -1.074
245 HE1 MET 36 3HE MET 36 3.580 6.431 -1.210
246 HE2 MET 36 1HE MET 36 3.957 5.012 -2.188
247 HE3 MET 36 2HE MET 36 2.674 4.935 -0.979
248 H GLY 37 H GLY 37 10.353 4.739 0.753
249 HA2 GLY 37 1HA GLY 37 11.364 6.665 2.729
250 HA3 GLY 37 2HA GLY 37 11.976 5.018 2.761
251 H GLU 38 H GLU 38 12.279 4.437 0.110
252 HA GLU 38 HA GLU 38 14.711 5.753 -0.496
253 HB2 GLU 38 1HB GLU 38 13.021 3.681 -1.798
254 HB3 GLU 38 2HB GLU 38 14.191 4.518 -2.808
255 HG2 GLU 38 1HG GLU 38 15.944 3.899 -1.130
256 HG3 GLU 38 2HG GLU 38 14.734 2.888 -0.343
257 H LYS 39 H LYS 39 15.208 7.331 -1.946
258 HA LYS 39 HA LYS 39 13.359 9.308 -2.547
259 HB2 LYS 39 1HB LYS 39 15.971 9.311 -2.613
260 HB3 LYS 39 2HB LYS 39 15.751 8.872 -4.302
261 HG2 LYS 39 1HG LYS 39 15.948 11.176 -4.369
262 HG3 LYS 39 2HG LYS 39 14.201 10.922 -4.413
263 HD2 LYS 39 1HD LYS 39 14.492 11.093 -1.781
264 HD3 LYS 39 2HD LYS 39 15.914 12.028 -2.250
265 HE2 LYS 39 1HE LYS 39 13.247 12.600 -3.481
266 HE3 LYS 39 2HE LYS 39 13.648 13.241 -1.889
267 HZ1 LYS 39 3HZ LYS 39 15.681 14.202 -2.932
268 HZ2 LYS 39 1HZ LYS 39 14.229 14.870 -3.487
269 HZ3 LYS 39 2HZ LYS 39 15.065 13.753 -4.443
270 H CYS 40 H CYS 40 14.780 6.956 -4.825
271 HA CYS 40 HA CYS 40 14.079 6.207 -6.859
272 HB2 CYS 40 1HB CYS 40 11.511 6.376 -5.298
273 HB3 CYS 40 2HB CYS 40 11.536 5.783 -6.954
274 HG CYS 40 HG CYS 40 11.661 3.397 -5.932
275 H SER 41 H SER 41 14.667 8.850 -6.973
276 HA SER 41 HA SER 41 12.639 10.558 -7.883
277 HB2 SER 41 1HB SER 41 15.572 10.594 -8.636
278 HB3 SER 41 2HB SER 41 14.444 11.940 -8.790
279 HG SER 41 HG SER 41 14.980 12.405 -6.822
280 H GLY 42 H GLY 42 11.479 10.555 -9.689
281 HA2 GLY 42 1HA GLY 42 10.709 9.903 -11.759
282 HA3 GLY 42 2HA GLY 42 12.345 10.285 -12.274
283 HA PRO 43 HA PRO 43 12.184 5.527 -11.318
284 HB2 PRO 43 1HB PRO 43 9.695 4.457 -11.149
285 HB3 PRO 43 2HB PRO 43 10.577 5.064 -9.743
286 HG2 PRO 43 1HG PRO 43 8.430 6.393 -11.350
287 HG3 PRO 43 2HG PRO 43 8.642 6.344 -9.591
288 HD2 PRO 43 1HD PRO 43 9.357 8.486 -11.085
289 HD3 PRO 43 2HD PRO 43 10.225 8.019 -9.608
290 H SER 44 H SER 44 9.251 6.572 -13.068
291 HA SER 44 HA SER 44 10.358 5.495 -15.539
292 HB2 SER 44 1HB SER 44 8.004 4.369 -14.107
293 HB3 SER 44 2HB SER 44 7.893 4.506 -15.861
294 HG SER 44 HG SER 44 10.233 3.422 -14.814
295 H SER 45 H SER 45 9.127 6.160 -17.446
296 HA SER 45 HA SER 45 8.359 8.894 -17.269
297 HB2 SER 45 1HB SER 45 9.425 7.564 -19.258
298 HB3 SER 45 2HB SER 45 7.750 7.202 -19.671
299 HG SER 45 HG SER 45 9.150 9.513 -19.978
300 H GLY 46 H GLY 46 6.371 9.849 -17.366
301 HA2 GLY 46 1HA GLY 46 4.059 10.018 -17.483
302 HA3 GLY 46 2HA GLY 46 3.985 8.309 -17.887
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -9.261 -32.691 -2.945
2 HA2 GLY 1 1HA GLY 1 -9.854 -31.565 -5.523
3 HA3 GLY 1 2HA GLY 1 -10.688 -31.219 -4.015
4 H SER 2 H SER 2 -7.965 -30.378 -6.052
5 HA SER 2 HA SER 2 -7.149 -28.189 -4.352
6 HB2 SER 2 1HB SER 2 -6.263 -28.965 -7.141
7 HB3 SER 2 2HB SER 2 -5.515 -27.713 -6.151
8 HG SER 2 HG SER 2 -4.796 -30.153 -6.180
9 H SER 3 H SER 3 -9.803 -27.895 -4.978
10 HA SER 3 HA SER 3 -10.059 -26.061 -7.206
11 HB2 SER 3 1HB SER 3 -12.064 -26.987 -5.135
12 HB3 SER 3 2HB SER 3 -12.446 -25.944 -6.505
13 HG SER 3 HG SER 3 -12.298 -28.601 -6.440
14 H GLY 4 H GLY 4 -10.477 -25.912 -3.670
15 HA2 GLY 4 1HA GLY 4 -9.210 -23.775 -2.870
16 HA3 GLY 4 2HA GLY 4 -10.450 -22.982 -3.831
17 H SER 5 H SER 5 -11.124 -21.908 -1.894
18 HA SER 5 HA SER 5 -12.502 -23.633 0.046
19 HB2 SER 5 1HB SER 5 -12.431 -21.746 1.578
20 HB3 SER 5 2HB SER 5 -10.812 -22.046 0.946
21 HG SER 5 HG SER 5 -12.352 -19.833 0.734
22 H SER 6 H SER 6 -13.730 -23.312 -2.415
23 HA SER 6 HA SER 6 -15.681 -22.699 -3.418
24 HB2 SER 6 1HB SER 6 -16.589 -23.824 -1.407
25 HB3 SER 6 2HB SER 6 -16.590 -22.278 -0.559
26 HG SER 6 HG SER 6 -17.904 -22.456 -3.023
27 H GLY 7 H GLY 7 -13.788 -20.665 -3.317
28 HA2 GLY 7 1HA GLY 7 -15.491 -18.370 -3.660
29 HA3 GLY 7 2HA GLY 7 -14.409 -18.223 -2.283
30 H SER 8 H SER 8 -14.157 -16.375 -4.195
31 HA SER 8 HA SER 8 -11.824 -17.221 -5.782
32 HB2 SER 8 1HB SER 8 -13.999 -16.229 -6.872
33 HB3 SER 8 2HB SER 8 -13.326 -14.687 -6.343
34 HG SER 8 HG SER 8 -11.630 -16.444 -7.688
35 H GLY 9 H GLY 9 -11.467 -16.638 -3.086
36 HA2 GLY 9 1HA GLY 9 -9.746 -15.529 -1.959
37 HA3 GLY 9 2HA GLY 9 -9.621 -14.406 -3.304
38 H GLU 10 H GLU 10 -9.528 -13.540 -0.676
39 HA GLU 10 HA GLU 10 -12.057 -12.692 0.296
40 HB2 GLU 10 1HB GLU 10 -9.852 -12.901 1.586
41 HB3 GLU 10 2HB GLU 10 -9.434 -11.339 0.895
42 HG2 GLU 10 1HG GLU 10 -11.355 -10.320 1.950
43 HG3 GLU 10 2HG GLU 10 -11.869 -11.885 2.578
44 H LYS 11 H LYS 11 -12.739 -10.428 0.507
45 HA LYS 11 HA LYS 11 -12.159 -8.934 -1.962
46 HB2 LYS 11 1HB LYS 11 -14.556 -9.807 -1.246
47 HB3 LYS 11 2HB LYS 11 -14.550 -8.339 -0.277
48 HG2 LYS 11 1HG LYS 11 -13.844 -8.182 -3.168
49 HG3 LYS 11 2HG LYS 11 -15.537 -8.332 -2.689
50 HD2 LYS 11 1HD LYS 11 -15.291 -6.348 -1.259
51 HD3 LYS 11 2HD LYS 11 -13.610 -6.193 -1.777
52 HE2 LYS 11 1HE LYS 11 -14.349 -5.883 -4.085
53 HE3 LYS 11 2HE LYS 11 -16.028 -6.059 -3.578
54 HZ1 LYS 11 3HZ LYS 11 -15.075 -3.713 -3.869
55 HZ2 LYS 11 1HZ LYS 11 -14.309 -3.981 -2.384
56 HZ3 LYS 11 2HZ LYS 11 -15.996 -4.034 -2.487
57 H SER 12 H SER 12 -10.229 -8.450 -0.309
58 HA SER 12 HA SER 12 -10.663 -5.718 0.522
59 HB2 SER 12 1HB SER 12 -10.146 -7.926 2.493
60 HB3 SER 12 2HB SER 12 -9.552 -6.295 2.809
61 HG SER 12 HG SER 12 -11.939 -5.818 2.169
62 H HIS 13 H HIS 13 -8.795 -4.513 0.547
63 HA HIS 13 HA HIS 13 -6.509 -5.719 -0.740
64 HB2 HIS 13 1HB HIS 13 -6.799 -2.874 0.235
65 HB3 HIS 13 2HB HIS 13 -5.663 -3.480 -0.968
66 HD1 HIS 13 HD1 HIS 13 -6.586 -3.942 -3.343
67 HD2 HIS 13 HD2 HIS 13 -9.388 -2.391 -0.697
68 HE1 HIS 13 HE1 HIS 13 -8.535 -3.236 -4.766
69 H THR 14 H THR 14 -4.448 -5.922 0.091
70 HA THR 14 HA THR 14 -4.088 -5.337 2.948
71 HB THR 14 HB THR 14 -3.351 -7.946 1.608
72 HG1 THR 14 HG1 THR 14 -4.821 -8.547 3.560
73 HG21 THR 14 3HG2 THR 14 -1.750 -7.009 3.367
74 HG22 THR 14 1HG2 THR 14 -2.370 -8.638 3.632
75 HG23 THR 14 2HG2 THR 14 -3.052 -7.278 4.525
76 H CYS 15 H CYS 15 -2.147 -4.502 3.476
77 HA CYS 15 HA CYS 15 -0.377 -3.693 1.389
78 HB2 CYS 15 1HB CYS 15 -0.857 -2.391 3.496
79 HB3 CYS 15 2HB CYS 15 0.129 -3.563 4.364
80 H ASP 16 H ASP 16 0.895 -5.131 0.414
81 HA ASP 16 HA ASP 16 1.832 -7.517 1.634
82 HB2 ASP 16 1HB ASP 16 2.653 -6.108 -0.912
83 HB3 ASP 16 2HB ASP 16 3.267 -7.686 -0.427
84 H GLU 17 H GLU 17 2.861 -4.320 1.867
85 HA GLU 17 HA GLU 17 5.668 -4.727 2.111
86 HB2 GLU 17 1HB GLU 17 4.021 -2.486 3.290
87 HB3 GLU 17 2HB GLU 17 5.748 -2.469 2.965
88 HG2 GLU 17 1HG GLU 17 4.973 -2.939 0.507
89 HG3 GLU 17 2HG GLU 17 3.460 -2.239 1.080
90 H CYS 18 H CYS 18 3.042 -4.375 4.480
91 HA CYS 18 HA CYS 18 4.840 -5.536 6.507
92 HB2 CYS 18 1HB CYS 18 3.514 -4.297 8.203
93 HB3 CYS 18 2HB CYS 18 4.348 -3.232 7.077
94 H GLY 19 H GLY 19 1.476 -5.278 5.408
95 HA2 GLY 19 1HA GLY 19 0.374 -7.509 5.136
96 HA3 GLY 19 2HA GLY 19 0.943 -7.850 6.764
97 H LYS 20 H LYS 20 -0.172 -4.663 6.009
98 HA LYS 20 HA LYS 20 -2.270 -4.891 7.967
99 HB2 LYS 20 1HB LYS 20 -1.119 -2.676 6.319
100 HB3 LYS 20 2HB LYS 20 -2.696 -2.452 7.064
101 HG2 LYS 20 1HG LYS 20 -0.415 -3.404 8.731
102 HG3 LYS 20 2HG LYS 20 -0.529 -1.697 8.298
103 HD2 LYS 20 1HD LYS 20 -2.851 -1.695 9.212
104 HD3 LYS 20 2HD LYS 20 -2.579 -3.345 9.776
105 HE2 LYS 20 1HE LYS 20 -2.084 -2.086 11.655
106 HE3 LYS 20 2HE LYS 20 -0.493 -2.338 10.938
107 HZ1 LYS 20 3HZ LYS 20 -2.122 0.110 11.016
108 HZ2 LYS 20 1HZ LYS 20 -0.996 -0.104 9.772
109 HZ3 LYS 20 2HZ LYS 20 -0.484 -0.097 11.383
110 H ASN 21 H ASN 21 -4.496 -4.173 7.523
111 HA ASN 21 HA ASN 21 -5.370 -4.992 4.829
112 HB2 ASN 21 1HB ASN 21 -6.649 -5.470 7.521
113 HB3 ASN 21 2HB ASN 21 -7.529 -5.660 6.007
114 HD21 ASN 21 1HD2 ASN 21 -7.120 -7.401 4.708
115 HD22 ASN 21 2HD2 ASN 21 -6.124 -8.728 5.191
116 H PHE 22 H PHE 22 -6.841 -3.740 3.769
117 HA PHE 22 HA PHE 22 -8.071 -1.492 5.166
118 HB2 PHE 22 1HB PHE 22 -6.490 -1.095 2.621
119 HB3 PHE 22 2HB PHE 22 -7.294 0.147 3.575
120 HD1 PHE 22 HD2 PHE 22 -4.445 -2.169 3.451
121 HD2 PHE 22 HD1 PHE 22 -6.283 1.058 5.530
122 HE1 PHE 22 HE2 PHE 22 -2.375 -1.820 4.734
123 HE2 PHE 22 HE1 PHE 22 -4.216 1.413 6.816
124 HZ PHE 22 HZ PHE 22 -2.258 -0.028 6.419
125 H CYS 23 H CYS 23 -10.161 -1.758 4.761
126 HA CYS 23 HA CYS 23 -11.346 -3.291 2.825
127 HB2 CYS 23 1HB CYS 23 -12.427 -0.747 4.056
128 HB3 CYS 23 2HB CYS 23 -13.393 -1.939 3.194
129 HG CYS 23 HG CYS 23 -14.060 -2.640 5.656
130 H TYR 24 H TYR 24 -10.548 0.159 2.628
131 HA TYR 24 HA TYR 24 -11.197 0.094 -0.239
132 HB2 TYR 24 1HB TYR 24 -10.853 2.705 0.191
133 HB3 TYR 24 2HB TYR 24 -12.387 1.900 0.503
134 HD1 TYR 24 HD2 TYR 24 -12.621 0.909 2.950
135 HD2 TYR 24 HD1 TYR 24 -9.959 4.041 1.849
136 HE1 TYR 24 HE2 TYR 24 -12.541 1.656 5.292
137 HE2 TYR 24 HE1 TYR 24 -9.871 4.796 4.188
138 HH TYR 24 HH TYR 24 -11.094 4.649 6.218
139 H ILE 25 H ILE 25 -9.601 0.109 -1.672
140 HA ILE 25 HA ILE 25 -6.943 -0.177 -1.141
141 HB ILE 25 HB ILE 25 -8.083 -0.421 -3.385
142 HG12 ILE 25 1HG1 ILE 25 -6.009 0.325 -4.654
143 HG13 ILE 25 2HG1 ILE 25 -5.422 0.983 -3.130
144 HG21 ILE 25 1HG2 ILE 25 -8.270 1.443 -4.840
145 HG22 ILE 25 2HG2 ILE 25 -9.042 1.904 -3.324
146 HG23 ILE 25 3HG2 ILE 25 -7.426 2.497 -3.707
147 HD11 ILE 25 3HD1 ILE 25 -6.005 -1.893 -3.777
148 HD12 ILE 25 1HD1 ILE 25 -4.438 -1.156 -3.442
149 HD13 ILE 25 2HD1 ILE 25 -5.637 -1.302 -2.157
150 H SER 26 H SER 26 -8.652 2.875 -1.736
151 HA SER 26 HA SER 26 -6.612 4.674 -1.826
152 HB2 SER 26 1HB SER 26 -9.246 4.973 -1.736
153 HB3 SER 26 2HB SER 26 -8.914 5.355 -0.047
154 HG SER 26 HG SER 26 -7.227 6.814 -1.066
155 H ALA 27 H ALA 27 -8.068 3.333 1.125
156 HA ALA 27 HA ALA 27 -6.574 4.740 3.002
157 HB1 ALA 27 3HB ALA 27 -6.990 2.086 3.955
158 HB2 ALA 27 1HB ALA 27 -7.852 3.565 4.380
159 HB3 ALA 27 2HB ALA 27 -8.399 2.584 3.020
160 H LEU 28 H LEU 28 -5.866 1.612 1.466
161 HA LEU 28 HA LEU 28 -3.503 1.025 2.811
162 HB2 LEU 28 1HB LEU 28 -4.343 -0.711 1.539
163 HB3 LEU 28 2HB LEU 28 -4.597 0.312 0.127
164 HG LEU 28 HG LEU 28 -2.104 0.375 -0.158
165 HD11 LEU 28 1HD1 LEU 28 -1.452 -2.019 1.178
166 HD12 LEU 28 2HD1 LEU 28 -2.214 -0.958 2.362
167 HD13 LEU 28 3HD1 LEU 28 -0.805 -0.402 1.459
168 HD21 LEU 28 3HD2 LEU 28 -2.145 -2.266 -0.686
169 HD22 LEU 28 1HD2 LEU 28 -2.920 -1.050 -1.702
170 HD23 LEU 28 2HD2 LEU 28 -3.873 -1.953 -0.524
171 H ARG 29 H ARG 29 -3.990 2.859 -0.190
172 HA ARG 29 HA ARG 29 -1.312 3.334 -0.804
173 HB2 ARG 29 1HB ARG 29 -3.613 5.229 -1.297
174 HB3 ARG 29 2HB ARG 29 -2.097 5.156 -2.185
175 HG2 ARG 29 1HG ARG 29 -4.005 2.842 -2.086
176 HG3 ARG 29 2HG ARG 29 -4.132 4.128 -3.289
177 HD2 ARG 29 1HD ARG 29 -1.691 2.418 -2.826
178 HD3 ARG 29 2HD ARG 29 -2.879 2.160 -4.104
179 HE ARG 29 HE ARG 29 -0.832 4.202 -4.009
180 HH11 ARG 29 1HH1 ARG 29 -3.804 3.119 -5.464
181 HH12 ARG 29 2HH1 ARG 29 -3.596 4.064 -6.901
182 HH21 ARG 29 1HH2 ARG 29 -0.547 5.449 -5.897
183 HH22 ARG 29 2HH2 ARG 29 -1.743 5.388 -7.147
184 H ILE 30 H ILE 30 -3.522 5.092 1.316
185 HA ILE 30 HA ILE 30 -1.824 7.280 1.851
186 HB ILE 30 HB ILE 30 -4.019 6.101 3.559
187 HG12 ILE 30 1HG1 ILE 30 -4.152 8.571 1.837
188 HG13 ILE 30 2HG1 ILE 30 -4.548 6.977 1.203
189 HG21 ILE 30 1HG2 ILE 30 -2.469 8.667 3.782
190 HG22 ILE 30 2HG2 ILE 30 -4.049 8.443 4.532
191 HG23 ILE 30 3HG2 ILE 30 -2.696 7.414 5.002
192 HD11 ILE 30 3HD1 ILE 30 -5.910 8.365 3.499
193 HD12 ILE 30 1HD1 ILE 30 -6.547 8.162 1.867
194 HD13 ILE 30 2HD1 ILE 30 -6.298 6.753 2.898
195 H HIS 31 H HIS 31 -2.127 4.091 3.288
196 HA HIS 31 HA HIS 31 -0.406 4.664 5.511
197 HB2 HIS 31 1HB HIS 31 -1.813 2.922 6.043
198 HB3 HIS 31 2HB HIS 31 -1.763 2.243 4.419
199 HD1 HIS 31 HD1 HIS 31 0.370 2.465 7.540
200 HD2 HIS 31 HD2 HIS 31 -0.011 0.171 4.097
201 HE1 HIS 31 HE1 HIS 31 1.946 0.529 7.844
202 H GLN 32 H GLN 32 -0.048 2.975 2.413
203 HA GLN 32 HA GLN 32 2.472 1.946 2.628
204 HB2 GLN 32 1HB GLN 32 1.123 3.258 0.274
205 HB3 GLN 32 2HB GLN 32 2.687 2.464 0.142
206 HG2 GLN 32 1HG GLN 32 1.490 0.429 1.172
207 HG3 GLN 32 2HG GLN 32 0.009 1.266 0.713
208 HE21 GLN 32 1HE2 GLN 32 -0.067 1.997 -1.591
209 HE22 GLN 32 2HE2 GLN 32 0.566 0.919 -2.783
210 H ARG 33 H ARG 33 1.560 5.282 2.462
211 HA ARG 33 HA ARG 33 3.822 6.531 1.526
212 HB2 ARG 33 1HB ARG 33 2.029 7.368 3.811
213 HB3 ARG 33 2HB ARG 33 3.213 8.419 3.046
214 HG2 ARG 33 1HG ARG 33 1.987 7.965 0.869
215 HG3 ARG 33 2HG ARG 33 0.707 7.269 1.865
216 HD2 ARG 33 1HD ARG 33 0.024 9.472 1.592
217 HD3 ARG 33 2HD ARG 33 0.816 9.490 3.167
218 HE ARG 33 HE ARG 33 2.361 10.933 2.312
219 HH11 ARG 33 1HH1 ARG 33 0.797 9.286 -0.326
220 HH12 ARG 33 2HH1 ARG 33 1.583 10.226 -1.551
221 HH21 ARG 33 1HH2 ARG 33 3.402 12.178 0.709
222 HH22 ARG 33 2HH2 ARG 33 3.065 11.871 -0.960
223 H VAL 34 H VAL 34 3.263 5.122 4.704
224 HA VAL 34 HA VAL 34 5.547 6.126 5.997
225 HB VAL 34 HB VAL 34 5.207 4.471 7.669
226 HG11 VAL 34 1HG1 VAL 34 3.115 5.061 8.348
227 HG12 VAL 34 2HG1 VAL 34 3.315 6.220 7.033
228 HG13 VAL 34 3HG1 VAL 34 2.391 4.740 6.772
229 HG21 VAL 34 3HG2 VAL 34 3.610 2.965 5.601
230 HG22 VAL 34 1HG2 VAL 34 5.148 2.484 6.317
231 HG23 VAL 34 2HG2 VAL 34 3.691 2.534 7.309
232 H HIS 35 H HIS 35 5.034 3.209 4.066
233 HA HIS 35 HA HIS 35 7.576 2.062 4.521
234 HB2 HIS 35 1HB HIS 35 5.557 1.714 2.306
235 HB3 HIS 35 2HB HIS 35 7.058 0.796 2.373
236 HD1 HIS 35 HD1 HIS 35 7.339 -0.755 4.558
237 HD2 HIS 35 HD2 HIS 35 3.517 0.686 3.797
238 HE1 HIS 35 HE1 HIS 35 5.794 -2.196 5.922
239 H MET 36 H MET 36 6.386 4.404 2.193
240 HA MET 36 HA MET 36 8.333 4.422 0.277
241 HB2 MET 36 1HB MET 36 7.016 6.818 1.566
242 HB3 MET 36 2HB MET 36 7.906 6.860 0.050
243 HG2 MET 36 1HG MET 36 6.294 5.295 -0.927
244 HG3 MET 36 2HG MET 36 5.394 5.294 0.588
245 HE1 MET 36 3HE MET 36 2.991 7.057 -1.670
246 HE2 MET 36 1HE MET 36 4.325 6.718 -2.773
247 HE3 MET 36 2HE MET 36 3.866 5.530 -1.553
248 H GLY 37 H GLY 37 10.474 4.511 0.375
249 HA2 GLY 37 1HA GLY 37 11.896 6.532 1.739
250 HA3 GLY 37 2HA GLY 37 11.948 5.053 2.686
251 H GLU 38 H GLU 38 11.998 3.230 0.493
252 HA GLU 38 HA GLU 38 14.315 3.912 -1.104
253 HB2 GLU 38 1HB GLU 38 15.668 2.029 -0.322
254 HB3 GLU 38 2HB GLU 38 15.347 3.161 0.983
255 HG2 GLU 38 1HG GLU 38 15.021 1.123 1.999
256 HG3 GLU 38 2HG GLU 38 13.381 1.589 1.553
257 H LYS 39 H LYS 39 14.154 2.999 -3.047
258 HA LYS 39 HA LYS 39 12.472 0.596 -3.329
259 HB2 LYS 39 1HB LYS 39 12.574 3.061 -5.062
260 HB3 LYS 39 2HB LYS 39 11.901 1.539 -5.630
261 HG2 LYS 39 1HG LYS 39 10.091 1.653 -4.209
262 HG3 LYS 39 2HG LYS 39 10.912 2.733 -3.081
263 HD2 LYS 39 1HD LYS 39 9.417 4.159 -4.125
264 HD3 LYS 39 2HD LYS 39 10.887 4.406 -5.070
265 HE2 LYS 39 1HE LYS 39 8.989 2.286 -5.936
266 HE3 LYS 39 2HE LYS 39 8.548 3.969 -6.223
267 HZ1 LYS 39 3HZ LYS 39 9.715 3.617 -8.103
268 HZ2 LYS 39 1HZ LYS 39 10.644 2.365 -7.445
269 HZ3 LYS 39 2HZ LYS 39 11.041 3.976 -7.116
270 H CYS 40 H CYS 40 13.390 -1.070 -4.348
271 HA CYS 40 HA CYS 40 16.110 -0.869 -5.235
272 HB2 CYS 40 1HB CYS 40 14.970 -2.864 -4.061
273 HB3 CYS 40 2HB CYS 40 14.331 -3.261 -5.651
274 HG CYS 40 HG CYS 40 17.469 -3.563 -4.467
275 H SER 41 H SER 41 12.994 -1.518 -6.807
276 HA SER 41 HA SER 41 13.582 -2.137 -9.331
277 HB2 SER 41 1HB SER 41 11.666 -0.769 -10.089
278 HB3 SER 41 2HB SER 41 11.297 -1.650 -8.607
279 HG SER 41 HG SER 41 10.662 0.316 -8.063
280 H GLY 42 H GLY 42 15.067 -1.481 -10.729
281 HA2 GLY 42 1HA GLY 42 16.205 1.186 -10.512
282 HA3 GLY 42 2HA GLY 42 16.782 -0.116 -11.542
283 HA PRO 43 HA PRO 43 14.955 1.798 -15.032
284 HB2 PRO 43 1HB PRO 43 14.267 -0.354 -16.537
285 HB3 PRO 43 2HB PRO 43 15.942 0.161 -16.307
286 HG2 PRO 43 1HG PRO 43 14.423 -2.016 -14.923
287 HG3 PRO 43 2HG PRO 43 16.084 -2.031 -15.545
288 HD2 PRO 43 1HD PRO 43 15.513 -1.671 -12.922
289 HD3 PRO 43 2HD PRO 43 16.916 -0.917 -13.706
290 H SER 44 H SER 44 12.994 2.398 -15.922
291 HA SER 44 HA SER 44 10.658 1.720 -14.377
292 HB2 SER 44 1HB SER 44 10.898 3.503 -16.813
293 HB3 SER 44 2HB SER 44 9.529 3.431 -15.703
294 HG SER 44 HG SER 44 10.694 5.096 -14.954
295 H SER 45 H SER 45 8.542 1.555 -15.841
296 HA SER 45 HA SER 45 9.023 -0.558 -17.838
297 HB2 SER 45 1HB SER 45 7.040 -1.733 -17.044
298 HB3 SER 45 2HB SER 45 8.167 -1.501 -15.708
299 HG SER 45 HG SER 45 6.116 -0.944 -15.016
300 H GLY 46 H GLY 46 8.071 -0.271 -19.757
301 HA2 GLY 46 1HA GLY 46 6.474 2.115 -20.164
302 HA3 GLY 46 2HA GLY 46 7.081 1.038 -21.413
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -14.968 -37.489 -0.933
2 HA2 GLY 1 1HA GLY 1 -13.653 -36.351 -2.452
3 HA3 GLY 1 2HA GLY 1 -14.647 -37.208 -3.620
4 H SER 2 H SER 2 -16.881 -36.127 -3.948
5 HA SER 2 HA SER 2 -16.340 -33.327 -4.574
6 HB2 SER 2 1HB SER 2 -18.338 -33.479 -6.005
7 HB3 SER 2 2HB SER 2 -17.189 -34.764 -6.377
8 HG SER 2 HG SER 2 -18.637 -36.174 -5.821
9 H SER 3 H SER 3 -16.648 -33.675 -1.892
10 HA SER 3 HA SER 3 -19.389 -33.180 -1.123
11 HB2 SER 3 1HB SER 3 -18.516 -33.049 1.154
12 HB3 SER 3 2HB SER 3 -17.858 -34.467 0.338
13 HG SER 3 HG SER 3 -16.009 -33.031 -0.156
14 H GLY 4 H GLY 4 -16.362 -31.332 -1.268
15 HA2 GLY 4 1HA GLY 4 -16.485 -29.027 -2.057
16 HA3 GLY 4 2HA GLY 4 -17.990 -28.871 -1.164
17 H SER 5 H SER 5 -15.008 -27.767 -1.142
18 HA SER 5 HA SER 5 -14.477 -28.091 1.712
19 HB2 SER 5 1HB SER 5 -12.888 -26.969 -0.588
20 HB3 SER 5 2HB SER 5 -12.404 -26.685 1.084
21 HG SER 5 HG SER 5 -12.566 -29.123 -0.324
22 H SER 6 H SER 6 -14.429 -26.400 3.170
23 HA SER 6 HA SER 6 -16.147 -24.172 2.524
24 HB2 SER 6 1HB SER 6 -16.226 -25.418 4.715
25 HB3 SER 6 2HB SER 6 -14.674 -24.683 5.116
26 HG SER 6 HG SER 6 -15.665 -22.648 4.960
27 H GLY 7 H GLY 7 -15.398 -22.392 1.594
28 HA2 GLY 7 1HA GLY 7 -13.146 -20.984 2.670
29 HA3 GLY 7 2HA GLY 7 -12.789 -21.704 1.107
30 H SER 8 H SER 8 -14.430 -19.183 2.789
31 HA SER 8 HA SER 8 -14.898 -17.814 0.262
32 HB2 SER 8 1HB SER 8 -17.208 -17.349 0.659
33 HB3 SER 8 2HB SER 8 -17.006 -19.088 0.866
34 HG SER 8 HG SER 8 -17.496 -17.105 2.779
35 H GLY 9 H GLY 9 -15.465 -15.511 0.588
36 HA2 GLY 9 1HA GLY 9 -15.390 -14.191 3.039
37 HA3 GLY 9 2HA GLY 9 -13.729 -14.317 2.480
38 H GLU 10 H GLU 10 -13.717 -11.993 2.404
39 HA GLU 10 HA GLU 10 -15.057 -10.943 -0.002
40 HB2 GLU 10 1HB GLU 10 -15.910 -10.038 2.200
41 HB3 GLU 10 2HB GLU 10 -14.323 -9.318 2.433
42 HG2 GLU 10 1HG GLU 10 -14.607 -7.998 0.411
43 HG3 GLU 10 2HG GLU 10 -16.183 -8.739 0.138
44 H LYS 11 H LYS 11 -13.906 -9.403 -1.242
45 HA LYS 11 HA LYS 11 -11.065 -9.871 -1.284
46 HB2 LYS 11 1HB LYS 11 -12.941 -8.271 -3.014
47 HB3 LYS 11 2HB LYS 11 -11.198 -8.224 -3.246
48 HG2 LYS 11 1HG LYS 11 -11.106 -10.348 -4.062
49 HG3 LYS 11 2HG LYS 11 -12.515 -10.882 -3.142
50 HD2 LYS 11 1HD LYS 11 -12.920 -8.837 -5.262
51 HD3 LYS 11 2HD LYS 11 -12.617 -10.502 -5.763
52 HE2 LYS 11 1HE LYS 11 -14.887 -10.579 -5.583
53 HE3 LYS 11 2HE LYS 11 -14.457 -10.999 -3.925
54 HZ1 LYS 11 3HZ LYS 11 -14.900 -8.808 -3.208
55 HZ2 LYS 11 1HZ LYS 11 -16.213 -9.254 -4.177
56 HZ3 LYS 11 2HZ LYS 11 -15.022 -8.221 -4.790
57 H SER 12 H SER 12 -9.727 -8.800 0.002
58 HA SER 12 HA SER 12 -10.232 -5.936 0.475
59 HB2 SER 12 1HB SER 12 -9.216 -8.011 2.425
60 HB3 SER 12 2HB SER 12 -9.124 -6.275 2.718
61 HG SER 12 HG SER 12 -11.549 -7.605 2.111
62 H HIS 13 H HIS 13 -8.394 -4.595 0.681
63 HA HIS 13 HA HIS 13 -6.113 -5.552 -0.843
64 HB2 HIS 13 1HB HIS 13 -6.583 -2.780 0.264
65 HB3 HIS 13 2HB HIS 13 -5.455 -3.243 -1.006
66 HD1 HIS 13 HD1 HIS 13 -6.495 -3.840 -3.343
67 HD2 HIS 13 HD2 HIS 13 -9.182 -2.321 -0.562
68 HE1 HIS 13 HE1 HIS 13 -8.539 -3.202 -4.662
69 H THR 14 H THR 14 -4.466 -6.478 0.162
70 HA THR 14 HA THR 14 -3.855 -5.680 2.927
71 HB THR 14 HB THR 14 -3.126 -8.207 1.434
72 HG1 THR 14 HG1 THR 14 -5.346 -7.669 2.507
73 HG21 THR 14 3HG2 THR 14 -1.423 -7.313 3.124
74 HG22 THR 14 1HG2 THR 14 -1.991 -8.967 3.349
75 HG23 THR 14 2HG2 THR 14 -2.637 -7.668 4.352
76 H CYS 15 H CYS 15 -1.982 -4.709 3.401
77 HA CYS 15 HA CYS 15 -0.277 -3.778 1.335
78 HB2 CYS 15 1HB CYS 15 -0.717 -2.594 3.505
79 HB3 CYS 15 2HB CYS 15 0.289 -3.798 4.304
80 H ASP 16 H ASP 16 1.468 -4.669 0.450
81 HA ASP 16 HA ASP 16 2.365 -7.259 1.390
82 HB2 ASP 16 1HB ASP 16 2.008 -6.685 -1.050
83 HB3 ASP 16 2HB ASP 16 3.448 -5.675 -0.943
84 H GLU 17 H GLU 17 3.162 -4.079 2.018
85 HA GLU 17 HA GLU 17 6.007 -4.380 2.265
86 HB2 GLU 17 1HB GLU 17 4.255 -2.246 3.490
87 HB3 GLU 17 2HB GLU 17 5.987 -2.160 3.203
88 HG2 GLU 17 1HG GLU 17 4.106 -2.566 0.921
89 HG3 GLU 17 2HG GLU 17 4.360 -0.957 1.595
90 H CYS 18 H CYS 18 3.253 -4.368 4.491
91 HA CYS 18 HA CYS 18 5.020 -5.522 6.547
92 HB2 CYS 18 1HB CYS 18 3.582 -4.408 8.250
93 HB3 CYS 18 2HB CYS 18 4.465 -3.274 7.233
94 H GLY 19 H GLY 19 1.767 -5.365 5.186
95 HA2 GLY 19 1HA GLY 19 0.727 -7.589 4.813
96 HA3 GLY 19 2HA GLY 19 1.211 -7.975 6.458
97 H LYS 20 H LYS 20 0.233 -4.772 6.212
98 HA LYS 20 HA LYS 20 -1.969 -5.090 7.916
99 HB2 LYS 20 1HB LYS 20 -0.921 -2.852 6.233
100 HB3 LYS 20 2HB LYS 20 -2.515 -2.693 6.960
101 HG2 LYS 20 1HG LYS 20 -0.264 -3.530 8.705
102 HG3 LYS 20 2HG LYS 20 -0.337 -1.847 8.180
103 HD2 LYS 20 1HD LYS 20 -2.623 -1.683 9.062
104 HD3 LYS 20 2HD LYS 20 -2.528 -3.361 9.603
105 HE2 LYS 20 1HE LYS 20 -0.589 -1.240 10.496
106 HE3 LYS 20 2HE LYS 20 -2.089 -1.585 11.355
107 HZ1 LYS 20 3HZ LYS 20 -0.628 -2.930 12.456
108 HZ2 LYS 20 1HZ LYS 20 0.321 -3.237 11.089
109 HZ3 LYS 20 2HZ LYS 20 -1.173 -4.009 11.273
110 H ASN 21 H ASN 21 -4.208 -4.195 7.331
111 HA ASN 21 HA ASN 21 -5.037 -5.223 4.699
112 HB2 ASN 21 1HB ASN 21 -5.594 -6.726 6.692
113 HB3 ASN 21 2HB ASN 21 -6.723 -5.469 7.187
114 HD21 ASN 21 1HD2 ASN 21 -5.912 -7.708 4.606
115 HD22 ASN 21 2HD2 ASN 21 -7.506 -7.818 3.949
116 H PHE 22 H PHE 22 -6.676 -4.124 3.649
117 HA PHE 22 HA PHE 22 -7.981 -1.884 4.946
118 HB2 PHE 22 1HB PHE 22 -6.300 -1.401 2.481
119 HB3 PHE 22 2HB PHE 22 -7.198 -0.203 3.407
120 HD1 PHE 22 HD2 PHE 22 -4.218 -2.327 3.325
121 HD2 PHE 22 HD1 PHE 22 -6.345 0.666 5.478
122 HE1 PHE 22 HE2 PHE 22 -2.222 -1.902 4.700
123 HE2 PHE 22 HE1 PHE 22 -4.353 1.096 6.856
124 HZ PHE 22 HZ PHE 22 -2.288 -0.190 6.469
125 H CYS 23 H CYS 23 -10.033 -2.251 4.435
126 HA CYS 23 HA CYS 23 -10.971 -3.801 2.332
127 HB2 CYS 23 1HB CYS 23 -12.170 -2.836 4.461
128 HB3 CYS 23 2HB CYS 23 -12.622 -1.529 3.373
129 HG CYS 23 HG CYS 23 -13.860 -3.316 1.525
130 H TYR 24 H TYR 24 -10.455 -0.309 2.504
131 HA TYR 24 HA TYR 24 -11.171 -0.089 -0.337
132 HB2 TYR 24 1HB TYR 24 -10.886 2.469 0.369
133 HB3 TYR 24 2HB TYR 24 -12.385 1.586 0.637
134 HD1 TYR 24 HD2 TYR 24 -12.631 0.425 2.952
135 HD2 TYR 24 HD1 TYR 24 -9.849 3.543 2.150
136 HE1 TYR 24 HE2 TYR 24 -12.493 0.912 5.359
137 HE2 TYR 24 HE1 TYR 24 -9.702 4.038 4.555
138 HH TYR 24 HH TYR 24 -10.812 1.971 6.928
139 H ILE 25 H ILE 25 -9.594 0.010 -1.778
140 HA ILE 25 HA ILE 25 -6.913 -0.172 -1.321
141 HB ILE 25 HB ILE 25 -8.101 -0.355 -3.550
142 HG12 ILE 25 1HG1 ILE 25 -6.103 0.412 -4.834
143 HG13 ILE 25 2HG1 ILE 25 -5.520 1.215 -3.380
144 HG21 ILE 25 1HG2 ILE 25 -8.349 1.589 -4.915
145 HG22 ILE 25 2HG2 ILE 25 -9.171 1.895 -3.385
146 HG23 ILE 25 3HG2 ILE 25 -7.589 2.609 -3.694
147 HD11 ILE 25 3HD1 ILE 25 -6.115 -1.488 -2.740
148 HD12 ILE 25 1HD1 ILE 25 -5.118 -1.454 -4.194
149 HD13 ILE 25 2HD1 ILE 25 -4.558 -0.659 -2.722
150 H SER 26 H SER 26 -8.756 2.831 -1.782
151 HA SER 26 HA SER 26 -6.833 4.731 -1.821
152 HB2 SER 26 1HB SER 26 -9.421 4.766 -0.257
153 HB3 SER 26 2HB SER 26 -8.416 6.192 -0.511
154 HG SER 26 HG SER 26 -8.766 6.016 -2.712
155 H ALA 27 H ALA 27 -8.074 3.163 1.116
156 HA ALA 27 HA ALA 27 -6.565 4.545 2.998
157 HB1 ALA 27 3HB ALA 27 -8.147 2.130 2.929
158 HB2 ALA 27 1HB ALA 27 -6.742 1.949 3.980
159 HB3 ALA 27 2HB ALA 27 -7.883 3.267 4.252
160 H LEU 28 H LEU 28 -5.807 1.379 1.530
161 HA LEU 28 HA LEU 28 -3.363 0.896 2.642
162 HB2 LEU 28 1HB LEU 28 -4.224 -0.773 1.265
163 HB3 LEU 28 2HB LEU 28 -4.452 0.332 -0.089
164 HG LEU 28 HG LEU 28 -1.976 0.417 -0.353
165 HD11 LEU 28 1HD1 LEU 28 -0.702 -0.322 1.304
166 HD12 LEU 28 2HD1 LEU 28 -1.221 -1.961 0.910
167 HD13 LEU 28 3HD1 LEU 28 -2.093 -1.029 2.127
168 HD21 LEU 28 3HD2 LEU 28 -1.942 -2.209 -0.937
169 HD22 LEU 28 1HD2 LEU 28 -2.755 -0.998 -1.929
170 HD23 LEU 28 2HD2 LEU 28 -3.679 -1.955 -0.771
171 H ARG 29 H ARG 29 -3.982 2.828 -0.279
172 HA ARG 29 HA ARG 29 -1.365 3.481 -0.920
173 HB2 ARG 29 1HB ARG 29 -3.749 5.316 -1.203
174 HB3 ARG 29 2HB ARG 29 -2.266 5.358 -2.147
175 HG2 ARG 29 1HG ARG 29 -4.207 3.059 -2.140
176 HG3 ARG 29 2HG ARG 29 -4.194 4.357 -3.336
177 HD2 ARG 29 1HD ARG 29 -1.884 2.505 -2.761
178 HD3 ARG 29 2HD ARG 29 -3.016 2.323 -4.101
179 HE ARG 29 HE ARG 29 -0.864 4.244 -3.881
180 HH11 ARG 29 1HH1 ARG 29 -3.809 3.337 -5.502
181 HH12 ARG 29 2HH1 ARG 29 -3.471 4.274 -6.919
182 HH21 ARG 29 1HH2 ARG 29 -0.408 5.482 -5.742
183 HH22 ARG 29 2HH2 ARG 29 -1.536 5.493 -7.055
184 H ILE 30 H ILE 30 -3.591 5.106 1.309
185 HA ILE 30 HA ILE 30 -1.886 7.255 1.962
186 HB ILE 30 HB ILE 30 -4.096 6.008 3.600
187 HG12 ILE 30 1HG1 ILE 30 -4.265 8.579 2.056
188 HG13 ILE 30 2HG1 ILE 30 -4.541 7.039 1.250
189 HG21 ILE 30 1HG2 ILE 30 -3.039 8.799 3.906
190 HG22 ILE 30 2HG2 ILE 30 -4.054 7.873 5.010
191 HG23 ILE 30 3HG2 ILE 30 -2.355 7.446 4.807
192 HD11 ILE 30 3HD1 ILE 30 -6.116 8.280 3.479
193 HD12 ILE 30 1HD1 ILE 30 -6.658 7.845 1.859
194 HD13 ILE 30 2HD1 ILE 30 -6.278 6.582 3.030
195 H HIS 31 H HIS 31 -2.240 4.012 3.273
196 HA HIS 31 HA HIS 31 -0.541 4.458 5.530
197 HB2 HIS 31 1HB HIS 31 -1.950 2.680 5.929
198 HB3 HIS 31 2HB HIS 31 -1.851 2.091 4.272
199 HD1 HIS 31 HD1 HIS 31 0.123 2.103 7.492
200 HD2 HIS 31 HD2 HIS 31 0.008 0.117 3.844
201 HE1 HIS 31 HE1 HIS 31 1.732 0.184 7.720
202 H GLN 32 H GLN 32 -0.103 3.212 2.269
203 HA GLN 32 HA GLN 32 2.424 2.102 2.482
204 HB2 GLN 32 1HB GLN 32 0.984 3.477 0.238
205 HB3 GLN 32 2HB GLN 32 2.645 2.941 0.026
206 HG2 GLN 32 1HG GLN 32 1.819 0.657 0.813
207 HG3 GLN 32 2HG GLN 32 0.198 1.291 0.536
208 HE21 GLN 32 1HE2 GLN 32 0.034 2.446 -1.681
209 HE22 GLN 32 2HE2 GLN 32 0.672 1.555 -3.017
210 H ARG 33 H ARG 33 1.469 5.418 2.594
211 HA ARG 33 HA ARG 33 3.823 6.694 1.807
212 HB2 ARG 33 1HB ARG 33 1.818 7.540 3.906
213 HB3 ARG 33 2HB ARG 33 3.039 8.588 3.198
214 HG2 ARG 33 1HG ARG 33 2.002 8.183 0.972
215 HG3 ARG 33 2HG ARG 33 0.711 7.302 1.792
216 HD2 ARG 33 1HD ARG 33 0.009 9.576 1.372
217 HD3 ARG 33 2HD ARG 33 0.203 9.324 3.106
218 HE ARG 33 HE ARG 33 2.606 10.333 2.226
219 HH11 ARG 33 1HH1 ARG 33 -0.717 11.368 2.230
220 HH12 ARG 33 2HH1 ARG 33 -0.328 13.055 2.308
221 HH21 ARG 33 1HH2 ARG 33 3.132 12.550 2.328
222 HH22 ARG 33 2HH2 ARG 33 1.862 13.726 2.362
223 H VAL 34 H VAL 34 3.012 5.024 4.749
224 HA VAL 34 HA VAL 34 5.061 6.101 6.388
225 HB VAL 34 HB VAL 34 4.607 4.316 7.918
226 HG11 VAL 34 1HG1 VAL 34 2.835 6.129 7.384
227 HG12 VAL 34 2HG1 VAL 34 1.922 4.789 6.686
228 HG13 VAL 34 3HG1 VAL 34 2.381 4.753 8.389
229 HG21 VAL 34 3HG2 VAL 34 4.517 2.294 6.909
230 HG22 VAL 34 1HG2 VAL 34 2.781 2.601 6.947
231 HG23 VAL 34 2HG2 VAL 34 3.701 2.923 5.477
232 H HIS 35 H HIS 35 4.965 3.548 4.018
233 HA HIS 35 HA HIS 35 7.517 2.441 4.799
234 HB2 HIS 35 1HB HIS 35 5.730 1.911 2.418
235 HB3 HIS 35 2HB HIS 35 7.231 1.046 2.738
236 HD1 HIS 35 HD1 HIS 35 7.253 -0.368 5.033
237 HD2 HIS 35 HD2 HIS 35 3.535 0.898 3.680
238 HE1 HIS 35 HE1 HIS 35 5.574 -1.780 6.263
239 H MET 36 H MET 36 6.995 5.305 3.701
240 HA MET 36 HA MET 36 8.755 5.307 1.382
241 HB2 MET 36 1HB MET 36 7.336 7.574 2.793
242 HB3 MET 36 2HB MET 36 8.272 7.733 1.312
243 HG2 MET 36 1HG MET 36 5.787 6.068 1.643
244 HG3 MET 36 2HG MET 36 5.871 7.655 0.882
245 HE1 MET 36 3HE MET 36 5.637 6.280 -2.550
246 HE2 MET 36 1HE MET 36 4.639 6.692 -1.155
247 HE3 MET 36 2HE MET 36 5.895 7.803 -1.699
248 H GLY 37 H GLY 37 10.825 4.934 1.996
249 HA2 GLY 37 1HA GLY 37 11.914 6.306 4.330
250 HA3 GLY 37 2HA GLY 37 12.723 5.070 3.377
251 H GLU 38 H GLU 38 13.908 7.499 4.233
252 HA GLU 38 HA GLU 38 13.923 9.379 2.074
253 HB2 GLU 38 1HB GLU 38 14.550 9.655 4.632
254 HB3 GLU 38 2HB GLU 38 16.156 9.241 4.049
255 HG2 GLU 38 1HG GLU 38 14.594 11.395 2.700
256 HG3 GLU 38 2HG GLU 38 15.436 11.725 4.213
257 H LYS 39 H LYS 39 16.360 7.092 3.319
258 HA LYS 39 HA LYS 39 17.596 7.105 0.643
259 HB2 LYS 39 1HB LYS 39 18.936 8.015 2.629
260 HB3 LYS 39 2HB LYS 39 19.012 6.351 3.193
261 HG2 LYS 39 1HG LYS 39 20.356 5.676 1.435
262 HG3 LYS 39 2HG LYS 39 19.885 7.041 0.420
263 HD2 LYS 39 1HD LYS 39 22.086 7.508 1.121
264 HD3 LYS 39 2HD LYS 39 21.048 8.520 2.128
265 HE2 LYS 39 1HE LYS 39 21.254 6.997 3.970
266 HE3 LYS 39 2HE LYS 39 22.109 5.827 2.968
267 HZ1 LYS 39 3HZ LYS 39 23.516 8.211 2.798
268 HZ2 LYS 39 1HZ LYS 39 23.988 6.789 3.585
269 HZ3 LYS 39 2HZ LYS 39 23.159 7.992 4.437
270 H CYS 40 H CYS 40 16.858 5.092 3.468
271 HA CYS 40 HA CYS 40 16.869 2.798 3.707
272 HB2 CYS 40 1HB CYS 40 15.118 1.768 2.401
273 HB3 CYS 40 2HB CYS 40 14.628 3.408 2.806
274 HG CYS 40 HG CYS 40 15.715 4.227 0.144
275 H SER 41 H SER 41 19.220 3.601 2.415
276 HA SER 41 HA SER 41 19.584 1.621 0.279
277 HB2 SER 41 1HB SER 41 20.272 3.984 -0.157
278 HB3 SER 41 2HB SER 41 21.467 3.833 1.131
279 HG SER 41 HG SER 41 22.674 2.589 -0.109
280 H GLY 42 H GLY 42 19.721 -0.238 1.566
281 HA2 GLY 42 1HA GLY 42 22.102 -1.285 2.220
282 HA3 GLY 42 2HA GLY 42 21.716 -0.370 3.670
283 HA PRO 43 HA PRO 43 18.479 -3.971 3.153
284 HB2 PRO 43 1HB PRO 43 19.372 -6.060 1.668
285 HB3 PRO 43 2HB PRO 43 18.447 -4.720 0.982
286 HG2 PRO 43 1HG PRO 43 21.404 -5.187 0.961
287 HG3 PRO 43 2HG PRO 43 20.351 -4.622 -0.350
288 HD2 PRO 43 1HD PRO 43 21.883 -2.939 1.117
289 HD3 PRO 43 2HD PRO 43 20.311 -2.459 0.446
290 H SER 44 H SER 44 19.292 -4.056 5.333
291 HA SER 44 HA SER 44 20.579 -6.589 5.917
292 HB2 SER 44 1HB SER 44 21.752 -4.012 6.987
293 HB3 SER 44 2HB SER 44 22.327 -5.646 7.315
294 HG SER 44 HG SER 44 23.589 -5.159 5.677
295 H SER 45 H SER 45 20.534 -7.081 8.260
296 HA SER 45 HA SER 45 18.267 -5.729 9.573
297 HB2 SER 45 1HB SER 45 18.027 -8.191 8.747
298 HB3 SER 45 2HB SER 45 19.014 -8.580 10.156
299 HG SER 45 HG SER 45 16.834 -6.889 10.544
300 H GLY 46 H GLY 46 21.223 -7.613 10.203
301 HA2 GLY 46 1HA GLY 46 22.929 -6.966 11.697
302 HA3 GLY 46 2HA GLY 46 21.812 -5.835 12.447
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -5.532 -28.444 -25.407
2 HA2 GLY 1 1HA GLY 1 -3.558 -26.755 -25.487
3 HA3 GLY 1 2HA GLY 1 -5.103 -26.175 -24.883
4 H SER 2 H SER 2 -4.605 -24.797 -23.294
5 HA SER 2 HA SER 2 -3.057 -25.845 -21.036
6 HB2 SER 2 1HB SER 2 -2.484 -23.365 -22.613
7 HB3 SER 2 2HB SER 2 -2.150 -23.375 -20.881
8 HG SER 2 HG SER 2 -0.991 -24.905 -22.931
9 H SER 3 H SER 3 -3.259 -24.290 -19.109
10 HA SER 3 HA SER 3 -6.089 -23.767 -18.744
11 HB2 SER 3 1HB SER 3 -4.471 -24.910 -17.054
12 HB3 SER 3 2HB SER 3 -3.986 -23.262 -16.656
13 HG SER 3 HG SER 3 -5.652 -23.403 -15.362
14 H GLY 4 H GLY 4 -6.917 -21.770 -17.914
15 HA2 GLY 4 1HA GLY 4 -5.273 -19.413 -17.882
16 HA3 GLY 4 2HA GLY 4 -6.288 -19.510 -19.313
17 H SER 5 H SER 5 -6.157 -17.917 -16.608
18 HA SER 5 HA SER 5 -9.043 -18.126 -16.047
19 HB2 SER 5 1HB SER 5 -6.713 -17.574 -14.229
20 HB3 SER 5 2HB SER 5 -8.331 -17.016 -13.806
21 HG SER 5 HG SER 5 -9.038 -19.173 -13.930
22 H SER 6 H SER 6 -10.177 -16.171 -15.607
23 HA SER 6 HA SER 6 -8.873 -13.636 -16.079
24 HB2 SER 6 1HB SER 6 -9.412 -14.652 -18.371
25 HB3 SER 6 2HB SER 6 -11.107 -14.397 -17.958
26 HG SER 6 HG SER 6 -9.377 -12.243 -17.615
27 H GLY 7 H GLY 7 -9.695 -12.388 -14.542
28 HA2 GLY 7 1HA GLY 7 -12.336 -11.602 -14.337
29 HA3 GLY 7 2HA GLY 7 -12.161 -12.960 -13.235
30 H SER 8 H SER 8 -12.894 -10.725 -12.064
31 HA SER 8 HA SER 8 -10.453 -9.464 -11.015
32 HB2 SER 8 1HB SER 8 -11.784 -7.589 -10.380
33 HB3 SER 8 2HB SER 8 -12.284 -8.016 -12.016
34 HG SER 8 HG SER 8 -13.990 -9.278 -10.922
35 H GLY 9 H GLY 9 -10.492 -8.905 -8.675
36 HA2 GLY 9 1HA GLY 9 -12.019 -10.865 -7.088
37 HA3 GLY 9 2HA GLY 9 -10.283 -10.705 -6.869
38 H GLU 10 H GLU 10 -12.852 -10.126 -5.225
39 HA GLU 10 HA GLU 10 -11.960 -7.480 -4.285
40 HB2 GLU 10 1HB GLU 10 -14.194 -6.831 -3.822
41 HB3 GLU 10 2HB GLU 10 -14.203 -7.488 -5.453
42 HG2 GLU 10 1HG GLU 10 -14.947 -9.676 -4.411
43 HG3 GLU 10 2HG GLU 10 -15.228 -8.754 -2.935
44 H LYS 11 H LYS 11 -11.210 -7.501 -2.281
45 HA LYS 11 HA LYS 11 -12.470 -8.794 -0.117
46 HB2 LYS 11 1HB LYS 11 -11.504 -10.798 -1.236
47 HB3 LYS 11 2HB LYS 11 -9.902 -10.103 -1.029
48 HG2 LYS 11 1HG LYS 11 -10.068 -11.583 0.740
49 HG3 LYS 11 2HG LYS 11 -10.493 -10.036 1.477
50 HD2 LYS 11 1HD LYS 11 -12.200 -11.318 2.285
51 HD3 LYS 11 2HD LYS 11 -12.933 -10.787 0.770
52 HE2 LYS 11 1HE LYS 11 -11.963 -12.910 -0.250
53 HE3 LYS 11 2HE LYS 11 -11.657 -13.435 1.404
54 HZ1 LYS 11 3HZ LYS 11 -13.741 -14.132 1.495
55 HZ2 LYS 11 1HZ LYS 11 -14.064 -13.531 -0.053
56 HZ3 LYS 11 2HZ LYS 11 -14.286 -12.543 1.301
57 H SER 12 H SER 12 -11.533 -8.266 1.883
58 HA SER 12 HA SER 12 -10.431 -5.850 2.256
59 HB2 SER 12 1HB SER 12 -9.460 -6.701 4.401
60 HB3 SER 12 2HB SER 12 -11.136 -7.186 4.144
61 HG SER 12 HG SER 12 -9.957 -8.969 4.815
62 H HIS 13 H HIS 13 -8.772 -4.956 1.220
63 HA HIS 13 HA HIS 13 -6.569 -6.362 0.168
64 HB2 HIS 13 1HB HIS 13 -6.623 -3.417 0.834
65 HB3 HIS 13 2HB HIS 13 -5.659 -4.221 -0.401
66 HD1 HIS 13 HD1 HIS 13 -6.758 -4.659 -2.653
67 HD2 HIS 13 HD2 HIS 13 -9.364 -3.073 0.168
68 HE1 HIS 13 HE1 HIS 13 -8.831 -4.030 -3.930
69 H THR 14 H THR 14 -4.419 -6.484 0.835
70 HA THR 14 HA THR 14 -3.867 -5.702 3.616
71 HB THR 14 HB THR 14 -3.184 -8.378 2.382
72 HG1 THR 14 HG1 THR 14 -5.281 -8.443 3.080
73 HG21 THR 14 3HG2 THR 14 -1.683 -7.036 4.220
74 HG22 THR 14 1HG2 THR 14 -1.756 -8.791 4.074
75 HG23 THR 14 2HG2 THR 14 -2.766 -7.962 5.258
76 H CYS 15 H CYS 15 -1.954 -4.732 3.916
77 HA CYS 15 HA CYS 15 -0.325 -4.081 1.672
78 HB2 CYS 15 1HB CYS 15 -0.695 -2.582 3.639
79 HB3 CYS 15 2HB CYS 15 0.294 -3.674 4.604
80 H ASP 16 H ASP 16 1.300 -5.196 0.833
81 HA ASP 16 HA ASP 16 2.235 -7.604 2.106
82 HB2 ASP 16 1HB ASP 16 1.861 -7.139 -0.435
83 HB3 ASP 16 2HB ASP 16 3.474 -6.435 -0.364
84 H GLU 17 H GLU 17 3.125 -4.354 2.194
85 HA GLU 17 HA GLU 17 5.948 -4.651 2.467
86 HB2 GLU 17 1HB GLU 17 4.209 -2.393 3.472
87 HB3 GLU 17 2HB GLU 17 5.943 -2.339 3.186
88 HG2 GLU 17 1HG GLU 17 4.153 -3.043 0.921
89 HG3 GLU 17 2HG GLU 17 4.231 -1.364 1.450
90 H CYS 18 H CYS 18 3.256 -4.394 4.750
91 HA CYS 18 HA CYS 18 5.080 -5.313 6.873
92 HB2 CYS 18 1HB CYS 18 3.675 -4.022 8.480
93 HB3 CYS 18 2HB CYS 18 4.537 -3.007 7.329
94 H GLY 19 H GLY 19 1.737 -5.233 5.699
95 HA2 GLY 19 1HA GLY 19 0.651 -7.457 5.548
96 HA3 GLY 19 2HA GLY 19 1.275 -7.759 7.163
97 H LYS 20 H LYS 20 0.066 -4.611 6.382
98 HA LYS 20 HA LYS 20 -1.895 -4.754 8.450
99 HB2 LYS 20 1HB LYS 20 -0.996 -2.691 6.492
100 HB3 LYS 20 2HB LYS 20 -2.559 -2.472 7.269
101 HG2 LYS 20 1HG LYS 20 -0.138 -3.051 8.919
102 HG3 LYS 20 2HG LYS 20 -0.439 -1.418 8.319
103 HD2 LYS 20 1HD LYS 20 -2.539 -1.313 9.454
104 HD3 LYS 20 2HD LYS 20 -2.459 -3.026 9.876
105 HE2 LYS 20 1HE LYS 20 -0.393 -1.047 10.798
106 HE3 LYS 20 2HE LYS 20 -1.878 -1.342 11.701
107 HZ1 LYS 20 3HZ LYS 20 -0.891 -3.081 12.620
108 HZ2 LYS 20 1HZ LYS 20 0.495 -2.856 11.677
109 HZ3 LYS 20 2HZ LYS 20 -0.770 -3.821 11.104
110 H ASN 21 H ASN 21 -4.132 -3.573 7.694
111 HA ASN 21 HA ASN 21 -5.180 -5.027 5.372
112 HB2 ASN 21 1HB ASN 21 -5.619 -6.175 7.666
113 HB3 ASN 21 2HB ASN 21 -6.792 -4.883 7.903
114 HD21 ASN 21 1HD2 ASN 21 -5.817 -7.150 5.350
115 HD22 ASN 21 2HD2 ASN 21 -7.425 -7.591 4.895
116 H PHE 22 H PHE 22 -6.830 -4.007 4.276
117 HA PHE 22 HA PHE 22 -8.043 -1.611 5.354
118 HB2 PHE 22 1HB PHE 22 -6.435 -1.421 2.802
119 HB3 PHE 22 2HB PHE 22 -7.280 -0.116 3.627
120 HD1 PHE 22 HD2 PHE 22 -4.356 -2.328 3.707
121 HD2 PHE 22 HD1 PHE 22 -6.328 0.973 5.533
122 HE1 PHE 22 HE2 PHE 22 -2.308 -1.805 4.965
123 HE2 PHE 22 HE1 PHE 22 -4.282 1.501 6.794
124 HZ PHE 22 HZ PHE 22 -2.269 0.111 6.512
125 H CYS 23 H CYS 23 -10.116 -1.976 4.939
126 HA CYS 23 HA CYS 23 -11.168 -3.735 3.084
127 HB2 CYS 23 1HB CYS 23 -12.325 -1.321 4.455
128 HB3 CYS 23 2HB CYS 23 -13.283 -2.263 3.320
129 HG CYS 23 HG CYS 23 -11.917 -3.411 6.240
130 H TYR 24 H TYR 24 -10.535 -0.271 2.746
131 HA TYR 24 HA TYR 24 -11.232 -0.466 -0.105
132 HB2 TYR 24 1HB TYR 24 -10.987 2.170 0.223
133 HB3 TYR 24 2HB TYR 24 -12.482 1.318 0.592
134 HD1 TYR 24 HD2 TYR 24 -12.627 0.405 3.079
135 HD2 TYR 24 HD1 TYR 24 -10.131 3.609 1.813
136 HE1 TYR 24 HE2 TYR 24 -12.540 1.242 5.390
137 HE2 TYR 24 HE1 TYR 24 -10.036 4.455 4.121
138 HH TYR 24 HH TYR 24 -10.595 4.086 6.241
139 H ILE 25 H ILE 25 -9.663 -0.428 -1.567
140 HA ILE 25 HA ILE 25 -6.976 -0.561 -1.034
141 HB ILE 25 HB ILE 25 -8.279 -0.926 -3.264
142 HG12 ILE 25 1HG1 ILE 25 -6.027 -0.353 -4.504
143 HG13 ILE 25 2HG1 ILE 25 -5.446 -0.037 -2.872
144 HG21 ILE 25 1HG2 ILE 25 -8.162 0.837 -4.859
145 HG22 ILE 25 2HG2 ILE 25 -8.919 1.493 -3.408
146 HG23 ILE 25 3HG2 ILE 25 -7.228 1.851 -3.759
147 HD11 ILE 25 3HD1 ILE 25 -6.766 -2.617 -3.647
148 HD12 ILE 25 1HD1 ILE 25 -5.030 -2.345 -3.794
149 HD13 ILE 25 2HD1 ILE 25 -5.805 -2.266 -2.211
150 H SER 26 H SER 26 -8.909 2.321 -1.696
151 HA SER 26 HA SER 26 -7.001 4.245 -2.030
152 HB2 SER 26 1HB SER 26 -9.235 4.964 -2.187
153 HB3 SER 26 2HB SER 26 -9.648 4.321 -0.597
154 HG SER 26 HG SER 26 -8.295 5.952 0.303
155 H ALA 27 H ALA 27 -8.203 2.997 1.073
156 HA ALA 27 HA ALA 27 -6.666 4.616 2.754
157 HB1 ALA 27 3HB ALA 27 -8.437 2.437 3.046
158 HB2 ALA 27 1HB ALA 27 -6.966 2.037 3.934
159 HB3 ALA 27 2HB ALA 27 -7.835 3.530 4.293
160 H LEU 28 H LEU 28 -5.977 1.356 1.500
161 HA LEU 28 HA LEU 28 -3.526 0.948 2.735
162 HB2 LEU 28 1HB LEU 28 -4.373 -0.918 1.682
163 HB3 LEU 28 2HB LEU 28 -4.768 -0.035 0.208
164 HG LEU 28 HG LEU 28 -2.317 0.070 -0.288
165 HD11 LEU 28 1HD1 LEU 28 -2.234 -1.615 2.187
166 HD12 LEU 28 2HD1 LEU 28 -1.239 -0.227 1.750
167 HD13 LEU 28 3HD1 LEU 28 -1.003 -1.772 0.934
168 HD21 LEU 28 3HD2 LEU 28 -3.696 -2.595 -0.048
169 HD22 LEU 28 1HD2 LEU 28 -2.164 -2.370 -0.891
170 HD23 LEU 28 2HD2 LEU 28 -3.611 -1.536 -1.457
171 H ARG 29 H ARG 29 -4.251 2.561 -0.336
172 HA ARG 29 HA ARG 29 -1.624 3.001 -1.183
173 HB2 ARG 29 1HB ARG 29 -3.960 4.857 -1.652
174 HB3 ARG 29 2HB ARG 29 -2.526 4.678 -2.653
175 HG2 ARG 29 1HG ARG 29 -4.214 2.279 -2.207
176 HG3 ARG 29 2HG ARG 29 -4.824 3.542 -3.279
177 HD2 ARG 29 1HD ARG 29 -2.381 3.371 -4.276
178 HD3 ARG 29 2HD ARG 29 -2.470 1.750 -3.588
179 HE ARG 29 HE ARG 29 -3.977 1.172 -5.218
180 HH11 ARG 29 1HH1 ARG 29 -3.615 4.634 -5.150
181 HH12 ARG 29 2HH1 ARG 29 -4.521 4.888 -6.606
182 HH21 ARG 29 1HH2 ARG 29 -5.170 1.493 -7.135
183 HH22 ARG 29 2HH2 ARG 29 -5.405 3.101 -7.733
184 H ILE 30 H ILE 30 -3.621 4.720 1.121
185 HA ILE 30 HA ILE 30 -1.908 7.002 1.329
186 HB ILE 30 HB ILE 30 -4.043 6.001 3.217
187 HG12 ILE 30 1HG1 ILE 30 -4.208 8.298 1.267
188 HG13 ILE 30 2HG1 ILE 30 -4.703 6.663 0.842
189 HG21 ILE 30 1HG2 ILE 30 -2.110 8.144 3.443
190 HG22 ILE 30 2HG2 ILE 30 -3.767 8.741 3.529
191 HG23 ILE 30 3HG2 ILE 30 -3.220 7.494 4.649
192 HD11 ILE 30 3HD1 ILE 30 -6.518 8.255 1.586
193 HD12 ILE 30 1HD1 ILE 30 -6.466 6.686 2.388
194 HD13 ILE 30 2HD1 ILE 30 -5.837 8.117 3.206
195 H HIS 31 H HIS 31 -2.310 3.995 3.136
196 HA HIS 31 HA HIS 31 -0.483 4.663 5.211
197 HB2 HIS 31 1HB HIS 31 -1.879 2.957 5.874
198 HB3 HIS 31 2HB HIS 31 -1.860 2.182 4.293
199 HD1 HIS 31 HD1 HIS 31 0.313 2.577 7.366
200 HD2 HIS 31 HD2 HIS 31 -0.091 0.109 4.048
201 HE1 HIS 31 HE1 HIS 31 1.902 0.667 7.751
202 H GLN 32 H GLN 32 -0.190 2.841 2.188
203 HA GLN 32 HA GLN 32 2.321 1.790 2.398
204 HB2 GLN 32 1HB GLN 32 0.848 2.969 0.065
205 HB3 GLN 32 2HB GLN 32 2.484 2.356 -0.136
206 HG2 GLN 32 1HG GLN 32 1.611 0.197 0.912
207 HG3 GLN 32 2HG GLN 32 0.003 0.855 0.614
208 HE21 GLN 32 1HE2 GLN 32 -0.014 1.907 -1.745
209 HE22 GLN 32 2HE2 GLN 32 0.484 0.807 -2.981
210 H ARG 33 H ARG 33 1.444 5.138 2.027
211 HA ARG 33 HA ARG 33 3.775 6.268 1.081
212 HB2 ARG 33 1HB ARG 33 1.901 7.339 3.197
213 HB3 ARG 33 2HB ARG 33 3.122 8.295 2.367
214 HG2 ARG 33 1HG ARG 33 2.008 8.010 0.267
215 HG3 ARG 33 2HG ARG 33 0.866 6.869 0.979
216 HD2 ARG 33 1HD ARG 33 -0.134 8.575 2.304
217 HD3 ARG 33 2HD ARG 33 1.142 9.722 1.896
218 HE ARG 33 HE ARG 33 0.093 9.145 -0.511
219 HH11 ARG 33 1HH1 ARG 33 -1.348 10.086 2.515
220 HH12 ARG 33 2HH1 ARG 33 -2.687 10.899 1.774
221 HH21 ARG 33 1HH2 ARG 33 -1.665 10.212 -1.499
222 HH22 ARG 33 2HH2 ARG 33 -2.867 10.969 -0.509
223 H VAL 34 H VAL 34 3.018 5.171 4.343
224 HA VAL 34 HA VAL 34 5.217 6.251 5.689
225 HB VAL 34 HB VAL 34 4.802 4.687 7.434
226 HG11 VAL 34 1HG1 VAL 34 2.994 6.408 6.748
227 HG12 VAL 34 2HG1 VAL 34 2.071 4.990 6.249
228 HG13 VAL 34 3HG1 VAL 34 2.587 5.162 7.927
229 HG21 VAL 34 3HG2 VAL 34 4.724 2.558 6.640
230 HG22 VAL 34 1HG2 VAL 34 2.990 2.838 6.801
231 HG23 VAL 34 2HG2 VAL 34 3.767 3.002 5.226
232 H HIS 35 H HIS 35 4.930 3.437 3.643
233 HA HIS 35 HA HIS 35 7.469 2.320 4.398
234 HB2 HIS 35 1HB HIS 35 5.531 1.712 2.166
235 HB3 HIS 35 2HB HIS 35 7.063 0.863 2.352
236 HD1 HIS 35 HD1 HIS 35 7.331 -0.518 4.637
237 HD2 HIS 35 HD2 HIS 35 3.487 0.756 3.707
238 HE1 HIS 35 HE1 HIS 35 5.798 -1.895 6.079
239 H MET 36 H MET 36 6.291 4.540 1.987
240 HA MET 36 HA MET 36 8.383 4.428 0.140
241 HB2 MET 36 1HB MET 36 6.372 6.490 0.915
242 HB3 MET 36 2HB MET 36 7.715 6.982 -0.109
243 HG2 MET 36 1HG MET 36 5.979 6.437 -1.577
244 HG3 MET 36 2HG MET 36 7.082 5.063 -1.628
245 HE1 MET 36 3HE MET 36 3.964 6.280 -1.758
246 HE2 MET 36 1HE MET 36 3.333 4.706 -2.246
247 HE3 MET 36 2HE MET 36 2.829 5.422 -0.715
248 H GLY 37 H GLY 37 10.205 5.816 -0.167
249 HA2 GLY 37 1HA GLY 37 11.147 7.201 2.253
250 HA3 GLY 37 2HA GLY 37 12.172 5.991 1.495
251 H GLU 38 H GLU 38 10.160 8.644 0.221
252 HA GLU 38 HA GLU 38 12.172 9.327 -1.711
253 HB2 GLU 38 1HB GLU 38 10.620 11.097 -2.390
254 HB3 GLU 38 2HB GLU 38 9.800 9.548 -2.254
255 HG2 GLU 38 1HG GLU 38 8.362 11.165 -1.319
256 HG3 GLU 38 2HG GLU 38 9.044 10.255 0.028
257 H LYS 39 H LYS 39 12.967 11.581 -1.946
258 HA LYS 39 HA LYS 39 13.454 12.845 0.669
259 HB2 LYS 39 1HB LYS 39 15.735 13.348 -0.015
260 HB3 LYS 39 2HB LYS 39 15.451 11.614 -0.082
261 HG2 LYS 39 1HG LYS 39 15.050 13.207 -2.559
262 HG3 LYS 39 2HG LYS 39 16.698 12.879 -2.018
263 HD2 LYS 39 1HD LYS 39 16.387 10.543 -2.166
264 HD3 LYS 39 2HD LYS 39 14.635 10.709 -2.305
265 HE2 LYS 39 1HE LYS 39 15.186 10.327 -4.495
266 HE3 LYS 39 2HE LYS 39 15.267 12.088 -4.453
267 HZ1 LYS 39 3HZ LYS 39 17.265 10.357 -5.220
268 HZ2 LYS 39 1HZ LYS 39 17.754 10.941 -3.709
269 HZ3 LYS 39 2HZ LYS 39 17.409 12.023 -4.962
270 H CYS 40 H CYS 40 12.931 13.214 -2.760
271 HA CYS 40 HA CYS 40 13.454 15.826 -3.274
272 HB2 CYS 40 1HB CYS 40 11.020 14.235 -4.102
273 HB3 CYS 40 2HB CYS 40 11.452 15.794 -4.795
274 HG CYS 40 HG CYS 40 14.106 13.944 -5.010
275 H SER 41 H SER 41 10.368 14.657 -1.920
276 HA SER 41 HA SER 41 9.162 17.112 -1.501
277 HB2 SER 41 1HB SER 41 7.856 15.133 -1.222
278 HB3 SER 41 2HB SER 41 8.929 14.521 0.036
279 HG SER 41 HG SER 41 6.774 15.800 0.473
280 H GLY 42 H GLY 42 11.168 15.250 0.781
281 HA2 GLY 42 1HA GLY 42 12.823 16.389 2.126
282 HA3 GLY 42 2HA GLY 42 11.761 17.789 2.157
283 HA PRO 43 HA PRO 43 11.055 14.660 5.758
284 HB2 PRO 43 1HB PRO 43 12.879 15.510 7.581
285 HB3 PRO 43 2HB PRO 43 13.210 14.218 6.420
286 HG2 PRO 43 1HG PRO 43 13.977 17.110 6.307
287 HG3 PRO 43 2HG PRO 43 14.946 15.679 5.907
288 HD2 PRO 43 1HD PRO 43 13.753 17.205 4.015
289 HD3 PRO 43 2HD PRO 43 13.986 15.456 3.823
290 H SER 44 H SER 44 12.289 17.979 6.231
291 HA SER 44 HA SER 44 11.380 19.814 7.222
292 HB2 SER 44 1HB SER 44 9.464 19.385 5.724
293 HB3 SER 44 2HB SER 44 8.763 18.315 6.938
294 HG SER 44 HG SER 44 9.392 21.026 7.458
295 H SER 45 H SER 45 12.486 17.802 8.845
296 HA SER 45 HA SER 45 11.154 16.789 10.958
297 HB2 SER 45 1HB SER 45 13.160 16.930 12.242
298 HB3 SER 45 2HB SER 45 13.664 16.775 10.559
299 HG SER 45 HG SER 45 13.449 19.228 11.973
300 H GLY 46 H GLY 46 10.311 17.465 12.906
301 HA2 GLY 46 1HA GLY 46 10.531 19.788 14.267
302 HA3 GLY 46 2HA GLY 46 9.414 20.214 12.978
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -22.086 -6.189 -17.459
2 HA2 GLY 1 1HA GLY 1 -22.316 -3.819 -17.855
3 HA3 GLY 1 2HA GLY 1 -23.255 -4.198 -19.291
4 H SER 2 H SER 2 -25.426 -4.853 -19.070
5 HA SER 2 HA SER 2 -26.867 -3.532 -17.062
6 HB2 SER 2 1HB SER 2 -27.585 -4.433 -19.437
7 HB3 SER 2 2HB SER 2 -28.087 -5.848 -18.512
8 HG SER 2 HG SER 2 -29.717 -4.169 -18.793
9 H SER 3 H SER 3 -26.238 -7.006 -17.509
10 HA SER 3 HA SER 3 -26.749 -7.372 -14.632
11 HB2 SER 3 1HB SER 3 -27.630 -9.140 -16.919
12 HB3 SER 3 2HB SER 3 -27.628 -9.667 -15.236
13 HG SER 3 HG SER 3 -29.647 -8.724 -16.130
14 H GLY 4 H GLY 4 -25.600 -9.128 -13.633
15 HA2 GLY 4 1HA GLY 4 -23.860 -10.657 -13.416
16 HA3 GLY 4 2HA GLY 4 -23.504 -10.454 -15.125
17 H SER 5 H SER 5 -22.631 -9.622 -11.945
18 HA SER 5 HA SER 5 -20.689 -7.652 -12.963
19 HB2 SER 5 1HB SER 5 -22.533 -6.968 -11.225
20 HB3 SER 5 2HB SER 5 -21.469 -7.770 -10.070
21 HG SER 5 HG SER 5 -19.981 -6.253 -10.356
22 H SER 6 H SER 6 -19.225 -9.366 -13.461
23 HA SER 6 HA SER 6 -18.147 -10.842 -11.171
24 HB2 SER 6 1HB SER 6 -17.622 -11.177 -14.135
25 HB3 SER 6 2HB SER 6 -16.970 -12.205 -12.858
26 HG SER 6 HG SER 6 -19.439 -12.305 -12.353
27 H GLY 7 H GLY 7 -16.046 -10.656 -10.489
28 HA2 GLY 7 1HA GLY 7 -14.032 -9.246 -11.915
29 HA3 GLY 7 2HA GLY 7 -14.755 -8.210 -10.694
30 H SER 8 H SER 8 -12.036 -9.051 -10.758
31 HA SER 8 HA SER 8 -11.829 -11.042 -8.630
32 HB2 SER 8 1HB SER 8 -10.293 -11.336 -10.477
33 HB3 SER 8 2HB SER 8 -9.723 -9.675 -10.322
34 HG SER 8 HG SER 8 -8.474 -11.519 -9.306
35 H GLY 9 H GLY 9 -10.622 -10.634 -6.701
36 HA2 GLY 9 1HA GLY 9 -9.333 -8.776 -5.526
37 HA3 GLY 9 2HA GLY 9 -10.746 -7.799 -5.894
38 H GLU 10 H GLU 10 -9.276 -9.495 -3.512
39 HA GLU 10 HA GLU 10 -11.337 -10.932 -2.276
40 HB2 GLU 10 1HB GLU 10 -8.831 -10.893 -1.720
41 HB3 GLU 10 2HB GLU 10 -9.190 -9.463 -0.762
42 HG2 GLU 10 1HG GLU 10 -10.565 -10.670 0.716
43 HG3 GLU 10 2HG GLU 10 -10.627 -12.065 -0.360
44 H LYS 11 H LYS 11 -12.309 -10.319 -0.120
45 HA LYS 11 HA LYS 11 -13.892 -7.984 -0.455
46 HB2 LYS 11 1HB LYS 11 -13.563 -9.853 1.897
47 HB3 LYS 11 2HB LYS 11 -14.754 -8.561 1.828
48 HG2 LYS 11 1HG LYS 11 -16.033 -9.636 0.252
49 HG3 LYS 11 2HG LYS 11 -14.677 -10.589 -0.354
50 HD2 LYS 11 1HD LYS 11 -14.682 -11.875 1.755
51 HD3 LYS 11 2HD LYS 11 -16.094 -10.958 2.285
52 HE2 LYS 11 1HE LYS 11 -16.930 -12.985 1.415
53 HE3 LYS 11 2HE LYS 11 -17.241 -11.767 0.179
54 HZ1 LYS 11 3HZ LYS 11 -16.097 -14.111 -0.326
55 HZ2 LYS 11 1HZ LYS 11 -14.714 -13.179 -0.042
56 HZ3 LYS 11 2HZ LYS 11 -15.808 -12.722 -1.247
57 H SER 12 H SER 12 -10.766 -8.303 0.554
58 HA SER 12 HA SER 12 -10.693 -5.623 1.588
59 HB2 SER 12 1HB SER 12 -10.375 -7.983 3.401
60 HB3 SER 12 2HB SER 12 -9.385 -6.551 3.686
61 HG SER 12 HG SER 12 -11.392 -6.515 4.827
62 H HIS 13 H HIS 13 -8.675 -4.705 1.432
63 HA HIS 13 HA HIS 13 -6.726 -6.232 -0.091
64 HB2 HIS 13 1HB HIS 13 -6.756 -3.310 0.694
65 HB3 HIS 13 2HB HIS 13 -5.596 -4.062 -0.398
66 HD1 HIS 13 HD1 HIS 13 -6.392 -4.600 -2.784
67 HD2 HIS 13 HD2 HIS 13 -9.309 -2.862 -0.390
68 HE1 HIS 13 HE1 HIS 13 -8.245 -3.943 -4.352
69 H THR 14 H THR 14 -4.476 -6.291 0.468
70 HA THR 14 HA THR 14 -3.905 -5.886 3.324
71 HB THR 14 HB THR 14 -3.159 -8.347 1.731
72 HG1 THR 14 HG1 THR 14 -4.640 -9.380 3.003
73 HG21 THR 14 3HG2 THR 14 -1.559 -7.343 3.563
74 HG22 THR 14 1HG2 THR 14 -1.872 -9.076 3.494
75 HG23 THR 14 2HG2 THR 14 -2.722 -8.073 4.669
76 H CYS 15 H CYS 15 -1.995 -4.947 3.746
77 HA CYS 15 HA CYS 15 -0.402 -3.993 1.562
78 HB2 CYS 15 1HB CYS 15 -0.887 -2.734 3.712
79 HB3 CYS 15 2HB CYS 15 0.263 -3.809 4.501
80 H ASP 16 H ASP 16 1.052 -5.210 0.565
81 HA ASP 16 HA ASP 16 2.139 -7.587 1.697
82 HB2 ASP 16 1HB ASP 16 3.362 -6.230 -0.679
83 HB3 ASP 16 2HB ASP 16 3.136 -7.950 -0.372
84 H GLU 17 H GLU 17 2.979 -4.311 1.934
85 HA GLU 17 HA GLU 17 5.800 -4.586 2.223
86 HB2 GLU 17 1HB GLU 17 4.039 -2.395 3.331
87 HB3 GLU 17 2HB GLU 17 5.768 -2.309 3.025
88 HG2 GLU 17 1HG GLU 17 3.871 -2.883 0.791
89 HG3 GLU 17 2HG GLU 17 4.117 -1.231 1.355
90 H CYS 18 H CYS 18 3.104 -4.390 4.518
91 HA CYS 18 HA CYS 18 4.920 -5.412 6.602
92 HB2 CYS 18 1HB CYS 18 3.538 -4.187 8.259
93 HB3 CYS 18 2HB CYS 18 4.348 -3.113 7.122
94 H GLY 19 H GLY 19 1.636 -5.370 5.309
95 HA2 GLY 19 1HA GLY 19 0.566 -7.582 5.104
96 HA3 GLY 19 2HA GLY 19 1.151 -7.918 6.726
97 H LYS 20 H LYS 20 0.062 -4.727 6.259
98 HA LYS 20 HA LYS 20 -1.991 -4.970 8.178
99 HB2 LYS 20 1HB LYS 20 -1.052 -2.830 6.327
100 HB3 LYS 20 2HB LYS 20 -2.637 -2.644 7.064
101 HG2 LYS 20 1HG LYS 20 -0.275 -3.288 8.771
102 HG3 LYS 20 2HG LYS 20 -0.541 -1.634 8.214
103 HD2 LYS 20 1HD LYS 20 -2.874 -1.814 9.148
104 HD3 LYS 20 2HD LYS 20 -2.378 -3.337 9.889
105 HE2 LYS 20 1HE LYS 20 -0.850 -2.286 11.306
106 HE3 LYS 20 2HE LYS 20 -0.808 -0.821 10.326
107 HZ1 LYS 20 3HZ LYS 20 -2.468 -1.424 12.522
108 HZ2 LYS 20 1HZ LYS 20 -3.434 -1.167 11.158
109 HZ3 LYS 20 2HZ LYS 20 -2.342 0.024 11.657
110 H ASN 21 H ASN 21 -4.211 -3.744 7.409
111 HA ASN 21 HA ASN 21 -5.213 -5.121 5.021
112 HB2 ASN 21 1HB ASN 21 -5.699 -6.301 7.320
113 HB3 ASN 21 2HB ASN 21 -6.929 -5.050 7.474
114 HD21 ASN 21 1HD2 ASN 21 -5.716 -7.209 4.927
115 HD22 ASN 21 2HD2 ASN 21 -7.275 -7.740 4.403
116 H PHE 22 H PHE 22 -6.818 -4.052 3.916
117 HA PHE 22 HA PHE 22 -8.073 -1.704 5.047
118 HB2 PHE 22 1HB PHE 22 -6.362 -1.407 2.573
119 HB3 PHE 22 2HB PHE 22 -7.254 -0.138 3.405
120 HD1 PHE 22 HD1 PHE 22 -6.448 0.785 5.499
121 HD2 PHE 22 HD2 PHE 22 -4.269 -2.229 3.429
122 HE1 PHE 22 HE1 PHE 22 -4.466 1.281 6.870
123 HE2 PHE 22 HE2 PHE 22 -2.284 -1.739 4.798
124 HZ PHE 22 HZ PHE 22 -2.381 0.017 6.521
125 H CYS 23 H CYS 23 -10.127 -2.074 4.547
126 HA CYS 23 HA CYS 23 -11.108 -3.747 2.585
127 HB2 CYS 23 1HB CYS 23 -12.471 -2.896 4.439
128 HB3 CYS 23 2HB CYS 23 -12.437 -1.284 3.734
129 HG CYS 23 HG CYS 23 -14.478 -1.578 2.204
130 H TYR 24 H TYR 24 -10.489 -0.266 2.402
131 HA TYR 24 HA TYR 24 -11.084 -0.349 -0.475
132 HB2 TYR 24 1HB TYR 24 -10.805 2.268 -0.040
133 HB3 TYR 24 2HB TYR 24 -12.323 1.429 0.256
134 HD1 TYR 24 HD2 TYR 24 -12.587 0.453 2.694
135 HD2 TYR 24 HD1 TYR 24 -9.931 3.603 1.634
136 HE1 TYR 24 HE2 TYR 24 -12.548 1.201 5.037
137 HE2 TYR 24 HE1 TYR 24 -9.884 4.359 3.974
138 HH TYR 24 HH TYR 24 -10.993 2.499 6.528
139 H ILE 25 H ILE 25 -9.517 -0.106 -1.942
140 HA ILE 25 HA ILE 25 -6.831 -0.376 -1.348
141 HB ILE 25 HB ILE 25 -8.029 -0.636 -3.612
142 HG12 ILE 25 1HG1 ILE 25 -5.875 -0.066 -4.839
143 HG13 ILE 25 2HG1 ILE 25 -5.277 0.571 -3.311
144 HG21 ILE 25 1HG2 ILE 25 -8.760 1.810 -3.546
145 HG22 ILE 25 2HG2 ILE 25 -7.109 2.190 -4.034
146 HG23 ILE 25 3HG2 ILE 25 -8.129 1.194 -5.073
147 HD11 ILE 25 3HD1 ILE 25 -6.368 -2.166 -3.245
148 HD12 ILE 25 1HD1 ILE 25 -4.861 -1.937 -4.131
149 HD13 ILE 25 2HD1 ILE 25 -4.963 -1.478 -2.431
150 H SER 26 H SER 26 -8.722 2.566 -1.804
151 HA SER 26 HA SER 26 -6.765 4.477 -1.996
152 HB2 SER 26 1HB SER 26 -8.989 5.235 -2.165
153 HB3 SER 26 2HB SER 26 -9.444 4.514 -0.621
154 HG SER 26 HG SER 26 -7.439 6.449 -0.594
155 H ALA 27 H ALA 27 -8.099 3.104 1.001
156 HA ALA 27 HA ALA 27 -6.612 4.566 2.833
157 HB1 ALA 27 3HB ALA 27 -6.884 1.906 3.810
158 HB2 ALA 27 1HB ALA 27 -7.811 3.344 4.240
159 HB3 ALA 27 2HB ALA 27 -8.336 2.325 2.899
160 H LEU 28 H LEU 28 -5.830 1.398 1.400
161 HA LEU 28 HA LEU 28 -3.399 0.963 2.652
162 HB2 LEU 28 1HB LEU 28 -4.263 -0.823 1.433
163 HB3 LEU 28 2HB LEU 28 -4.494 0.156 -0.014
164 HG LEU 28 HG LEU 28 -1.994 0.228 -0.247
165 HD11 LEU 28 1HD1 LEU 28 -2.167 -1.076 2.299
166 HD12 LEU 28 2HD1 LEU 28 -0.747 -0.474 1.444
167 HD13 LEU 28 3HD1 LEU 28 -1.326 -2.113 1.146
168 HD21 LEU 28 3HD2 LEU 28 -2.003 -2.419 -0.714
169 HD22 LEU 28 1HD2 LEU 28 -2.785 -1.241 -1.768
170 HD23 LEU 28 2HD2 LEU 28 -3.738 -2.129 -0.578
171 H ARG 29 H ARG 29 -4.051 2.690 -0.381
172 HA ARG 29 HA ARG 29 -1.418 3.260 -1.093
173 HB2 ARG 29 1HB ARG 29 -3.796 5.066 -1.554
174 HB3 ARG 29 2HB ARG 29 -2.316 4.997 -2.501
175 HG2 ARG 29 1HG ARG 29 -3.927 2.518 -2.264
176 HG3 ARG 29 2HG ARG 29 -4.541 3.817 -3.289
177 HD2 ARG 29 1HD ARG 29 -2.835 3.621 -4.795
178 HD3 ARG 29 2HD ARG 29 -1.689 3.045 -3.585
179 HE ARG 29 HE ARG 29 -3.494 1.020 -3.802
180 HH11 ARG 29 1HH1 ARG 29 -1.501 2.765 -6.063
181 HH12 ARG 29 2HH1 ARG 29 -1.333 1.425 -7.148
182 HH21 ARG 29 1HH2 ARG 29 -3.279 -0.751 -5.224
183 HH22 ARG 29 2HH2 ARG 29 -2.345 -0.574 -6.670
184 H ILE 30 H ILE 30 -3.552 4.821 1.206
185 HA ILE 30 HA ILE 30 -1.892 7.120 1.598
186 HB ILE 30 HB ILE 30 -4.093 6.005 3.341
187 HG12 ILE 30 1HG1 ILE 30 -4.233 8.373 1.479
188 HG13 ILE 30 2HG1 ILE 30 -4.648 6.745 0.955
189 HG21 ILE 30 1HG2 ILE 30 -4.150 8.285 4.308
190 HG22 ILE 30 2HG2 ILE 30 -2.649 7.423 4.643
191 HG23 ILE 30 3HG2 ILE 30 -2.689 8.671 3.398
192 HD11 ILE 30 3HD1 ILE 30 -6.304 8.622 2.194
193 HD12 ILE 30 1HD1 ILE 30 -6.673 6.941 1.813
194 HD13 ILE 30 2HD1 ILE 30 -6.014 7.363 3.394
195 H HIS 31 H HIS 31 -2.315 4.019 3.226
196 HA HIS 31 HA HIS 31 -0.619 4.615 5.429
197 HB2 HIS 31 1HB HIS 31 -2.003 2.844 5.925
198 HB3 HIS 31 2HB HIS 31 -1.881 2.156 4.308
199 HD1 HIS 31 HD1 HIS 31 0.112 2.429 7.512
200 HD2 HIS 31 HD2 HIS 31 -0.045 0.144 4.046
201 HE1 HIS 31 HE1 HIS 31 1.729 0.538 7.879
202 H GLN 32 H GLN 32 -0.115 3.081 2.291
203 HA GLN 32 HA GLN 32 2.422 2.054 2.607
204 HB2 GLN 32 1HB GLN 32 1.021 3.273 0.248
205 HB3 GLN 32 2HB GLN 32 2.681 2.710 0.109
206 HG2 GLN 32 1HG GLN 32 1.833 0.491 1.019
207 HG3 GLN 32 2HG GLN 32 0.215 1.114 0.701
208 HE21 GLN 32 1HE2 GLN 32 -0.089 1.983 -1.554
209 HE22 GLN 32 2HE2 GLN 32 0.602 1.062 -2.842
210 H ARG 33 H ARG 33 1.432 5.354 2.517
211 HA ARG 33 HA ARG 33 3.724 6.650 1.646
212 HB2 ARG 33 1HB ARG 33 1.789 7.492 3.811
213 HB3 ARG 33 2HB ARG 33 2.969 8.552 3.053
214 HG2 ARG 33 1HG ARG 33 1.878 8.257 0.900
215 HG3 ARG 33 2HG ARG 33 0.711 7.155 1.634
216 HD2 ARG 33 1HD ARG 33 -0.277 8.870 2.898
217 HD3 ARG 33 2HD ARG 33 1.083 9.961 2.634
218 HE ARG 33 HE ARG 33 -0.050 9.359 0.151
219 HH11 ARG 33 1HH1 ARG 33 -0.862 11.034 3.093
220 HH12 ARG 33 2HH1 ARG 33 -1.925 12.158 2.313
221 HH21 ARG 33 1HH2 ARG 33 -1.447 10.833 -0.887
222 HH22 ARG 33 2HH2 ARG 33 -2.258 12.042 0.049
223 H VAL 34 H VAL 34 3.179 4.873 4.544
224 HA VAL 34 HA VAL 34 5.328 6.067 6.041
225 HB VAL 34 HB VAL 34 4.894 4.425 7.725
226 HG11 VAL 34 1HG1 VAL 34 3.172 6.288 7.156
227 HG12 VAL 34 2HG1 VAL 34 2.148 4.938 6.662
228 HG13 VAL 34 3HG1 VAL 34 2.746 5.033 8.319
229 HG21 VAL 34 3HG2 VAL 34 4.714 2.372 6.679
230 HG22 VAL 34 1HG2 VAL 34 3.048 2.676 7.171
231 HG23 VAL 34 2HG2 VAL 34 3.539 2.957 5.501
232 H HIS 35 H HIS 35 4.932 3.389 3.854
233 HA HIS 35 HA HIS 35 7.414 2.113 4.550
234 HB2 HIS 35 1HB HIS 35 5.440 1.727 2.303
235 HB3 HIS 35 2HB HIS 35 6.950 0.823 2.391
236 HD1 HIS 35 HD1 HIS 35 7.218 -0.760 4.528
237 HD2 HIS 35 HD2 HIS 35 3.405 0.744 3.849
238 HE1 HIS 35 HE1 HIS 35 5.676 -2.189 5.907
239 H MET 36 H MET 36 6.438 4.683 2.491
240 HA MET 36 HA MET 36 8.886 4.541 0.902
241 HB2 MET 36 1HB MET 36 7.916 6.165 -0.529
242 HB3 MET 36 2HB MET 36 6.627 5.036 -0.131
243 HG2 MET 36 1HG MET 36 5.722 6.585 1.487
244 HG3 MET 36 2HG MET 36 7.057 7.699 1.202
245 HE1 MET 36 3HE MET 36 3.925 6.633 -2.008
246 HE2 MET 36 1HE MET 36 4.993 5.486 -1.198
247 HE3 MET 36 2HE MET 36 3.661 6.226 -0.311
248 H GLY 37 H GLY 37 10.379 6.269 0.792
249 HA2 GLY 37 1HA GLY 37 10.341 7.997 3.189
250 HA3 GLY 37 2HA GLY 37 11.808 7.352 2.469
251 H GLU 38 H GLU 38 11.178 7.861 -0.244
252 HA GLU 38 HA GLU 38 11.384 10.796 -0.250
253 HB2 GLU 38 1HB GLU 38 13.275 9.202 -1.122
254 HB3 GLU 38 2HB GLU 38 12.257 9.092 -2.551
255 HG2 GLU 38 1HG GLU 38 12.288 11.677 -2.473
256 HG3 GLU 38 2HG GLU 38 13.697 11.458 -1.437
257 H LYS 39 H LYS 39 10.132 12.018 -1.600
258 HA LYS 39 HA LYS 39 8.070 10.579 -3.138
259 HB2 LYS 39 1HB LYS 39 6.488 12.320 -2.586
260 HB3 LYS 39 2HB LYS 39 7.180 11.683 -1.100
261 HG2 LYS 39 1HG LYS 39 8.827 13.657 -1.285
262 HG3 LYS 39 2HG LYS 39 7.648 14.327 -2.415
263 HD2 LYS 39 1HD LYS 39 5.916 13.899 -0.584
264 HD3 LYS 39 2HD LYS 39 7.293 13.673 0.497
265 HE2 LYS 39 1HE LYS 39 7.180 16.111 -1.214
266 HE3 LYS 39 2HE LYS 39 6.157 16.028 0.219
267 HZ1 LYS 39 3HZ LYS 39 8.552 16.996 0.366
268 HZ2 LYS 39 1HZ LYS 39 9.007 15.369 0.465
269 HZ3 LYS 39 2HZ LYS 39 7.953 16.024 1.614
270 H CYS 40 H CYS 40 8.101 10.959 -5.247
271 HA CYS 40 HA CYS 40 8.400 13.510 -6.406
272 HB2 CYS 40 1HB CYS 40 10.782 13.039 -5.690
273 HB3 CYS 40 2HB CYS 40 10.788 11.715 -6.849
274 HG CYS 40 HG CYS 40 10.617 13.247 -9.090
275 H SER 41 H SER 41 7.420 13.464 -8.326
276 HA SER 41 HA SER 41 7.309 10.907 -9.782
277 HB2 SER 41 1HB SER 41 5.169 11.622 -8.491
278 HB3 SER 41 2HB SER 41 4.987 12.818 -9.774
279 HG SER 41 HG SER 41 4.976 10.001 -9.969
280 H GLY 42 H GLY 42 6.744 14.415 -10.052
281 HA2 GLY 42 1HA GLY 42 7.245 15.895 -11.733
282 HA3 GLY 42 2HA GLY 42 8.444 14.730 -12.276
283 HA PRO 43 HA PRO 43 4.467 14.923 -14.997
284 HB2 PRO 43 1HB PRO 43 5.077 16.942 -16.707
285 HB3 PRO 43 2HB PRO 43 4.162 17.190 -15.215
286 HG2 PRO 43 1HG PRO 43 7.069 17.661 -15.756
287 HG3 PRO 43 2HG PRO 43 5.918 18.675 -14.866
288 HD2 PRO 43 1HD PRO 43 7.690 17.050 -13.623
289 HD3 PRO 43 2HD PRO 43 6.086 17.406 -12.950
290 H SER 44 H SER 44 4.692 13.303 -16.393
291 HA SER 44 HA SER 44 7.216 12.918 -17.793
292 HB2 SER 44 1HB SER 44 4.748 11.193 -17.525
293 HB3 SER 44 2HB SER 44 6.141 10.749 -18.511
294 HG SER 44 HG SER 44 6.585 9.842 -16.598
295 H SER 45 H SER 45 6.219 15.126 -18.810
296 HA SER 45 HA SER 45 5.237 14.301 -21.451
297 HB2 SER 45 1HB SER 45 3.392 15.277 -19.980
298 HB3 SER 45 2HB SER 45 4.254 16.811 -20.091
299 HG SER 45 HG SER 45 2.528 16.341 -21.703
300 H GLY 46 H GLY 46 5.454 16.201 -23.045
301 HA2 GLY 46 1HA GLY 46 6.680 18.271 -23.518
302 HA3 GLY 46 2HA GLY 46 7.947 17.674 -22.456
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -13.746 -27.387 -12.657
2 HA2 GLY 1 1HA GLY 1 -13.186 -29.694 -13.791
3 HA3 GLY 1 2HA GLY 1 -11.550 -29.091 -13.573
4 H SER 2 H SER 2 -10.840 -30.560 -12.093
5 HA SER 2 HA SER 2 -12.407 -31.198 -9.754
6 HB2 SER 2 1HB SER 2 -9.543 -31.930 -10.410
7 HB3 SER 2 2HB SER 2 -10.538 -32.648 -9.143
8 HG SER 2 HG SER 2 -11.225 -32.698 -11.893
9 H SER 3 H SER 3 -11.964 -28.471 -9.880
10 HA SER 3 HA SER 3 -10.775 -27.994 -7.329
11 HB2 SER 3 1HB SER 3 -9.082 -26.328 -8.192
12 HB3 SER 3 2HB SER 3 -8.691 -28.017 -8.513
13 HG SER 3 HG SER 3 -9.415 -25.987 -10.272
14 H GLY 4 H GLY 4 -11.479 -26.094 -6.430
15 HA2 GLY 4 1HA GLY 4 -12.256 -23.759 -7.617
16 HA3 GLY 4 2HA GLY 4 -13.670 -24.793 -7.757
17 H SER 5 H SER 5 -11.260 -23.995 -5.248
18 HA SER 5 HA SER 5 -13.479 -23.345 -3.440
19 HB2 SER 5 1HB SER 5 -12.889 -25.591 -2.819
20 HB3 SER 5 2HB SER 5 -11.169 -25.200 -2.829
21 HG SER 5 HG SER 5 -11.505 -23.871 -1.040
22 H SER 6 H SER 6 -12.889 -21.968 -1.664
23 HA SER 6 HA SER 6 -10.382 -20.486 -2.112
24 HB2 SER 6 1HB SER 6 -13.165 -19.464 -1.609
25 HB3 SER 6 2HB SER 6 -11.758 -18.493 -1.175
26 HG SER 6 HG SER 6 -12.182 -17.907 -3.223
27 H GLY 7 H GLY 7 -12.949 -21.103 0.285
28 HA2 GLY 7 1HA GLY 7 -12.425 -22.049 2.434
29 HA3 GLY 7 2HA GLY 7 -10.844 -21.288 2.337
30 H SER 8 H SER 8 -14.254 -20.248 2.167
31 HA SER 8 HA SER 8 -15.200 -18.273 2.895
32 HB2 SER 8 1HB SER 8 -15.199 -18.148 5.370
33 HB3 SER 8 2HB SER 8 -15.487 -19.788 4.788
34 HG SER 8 HG SER 8 -13.321 -20.270 5.235
35 H GLY 9 H GLY 9 -12.824 -17.651 1.633
36 HA2 GLY 9 1HA GLY 9 -11.417 -15.793 3.410
37 HA3 GLY 9 2HA GLY 9 -10.896 -16.282 1.805
38 H GLU 10 H GLU 10 -11.797 -13.682 3.426
39 HA GLU 10 HA GLU 10 -13.737 -12.560 1.613
40 HB2 GLU 10 1HB GLU 10 -13.326 -12.045 4.158
41 HB3 GLU 10 2HB GLU 10 -12.145 -10.904 3.531
42 HG2 GLU 10 1HG GLU 10 -13.729 -9.542 2.620
43 HG3 GLU 10 2HG GLU 10 -14.883 -10.854 2.388
44 H LYS 11 H LYS 11 -13.201 -10.245 0.780
45 HA LYS 11 HA LYS 11 -10.541 -10.309 -0.487
46 HB2 LYS 11 1HB LYS 11 -12.154 -10.839 -2.177
47 HB3 LYS 11 2HB LYS 11 -13.204 -9.521 -1.671
48 HG2 LYS 11 1HG LYS 11 -12.230 -8.640 -3.550
49 HG3 LYS 11 2HG LYS 11 -11.163 -8.026 -2.285
50 HD2 LYS 11 1HD LYS 11 -9.611 -8.835 -3.762
51 HD3 LYS 11 2HD LYS 11 -9.864 -10.270 -2.765
52 HE2 LYS 11 1HE LYS 11 -11.661 -10.907 -4.472
53 HE3 LYS 11 2HE LYS 11 -10.944 -9.669 -5.503
54 HZ1 LYS 11 3HZ LYS 11 -9.083 -11.567 -4.342
55 HZ2 LYS 11 1HZ LYS 11 -9.144 -10.926 -5.907
56 HZ3 LYS 11 2HZ LYS 11 -10.157 -12.211 -5.479
57 H SER 12 H SER 12 -9.318 -8.557 -0.205
58 HA SER 12 HA SER 12 -10.325 -5.912 -0.054
59 HB2 SER 12 1HB SER 12 -11.039 -6.561 2.178
60 HB3 SER 12 2HB SER 12 -9.427 -7.171 2.550
61 HG SER 12 HG SER 12 -8.771 -4.891 2.028
62 H HIS 13 H HIS 13 -8.713 -4.400 -0.270
63 HA HIS 13 HA HIS 13 -6.252 -5.222 -1.307
64 HB2 HIS 13 1HB HIS 13 -6.708 -2.512 -0.071
65 HB3 HIS 13 2HB HIS 13 -5.681 -2.929 -1.439
66 HD1 HIS 13 HD1 HIS 13 -6.776 -3.063 -3.742
67 HD2 HIS 13 HD2 HIS 13 -9.466 -2.300 -0.669
68 HE1 HIS 13 HE1 HIS 13 -8.923 -2.410 -4.875
69 H THR 14 H THR 14 -4.583 -6.103 -0.302
70 HA THR 14 HA THR 14 -4.090 -5.386 2.514
71 HB THR 14 HB THR 14 -3.381 -7.939 1.057
72 HG1 THR 14 HG1 THR 14 -5.399 -8.299 1.657
73 HG21 THR 14 3HG2 THR 14 -2.265 -8.692 2.937
74 HG22 THR 14 1HG2 THR 14 -3.066 -7.539 4.004
75 HG23 THR 14 2HG2 THR 14 -1.797 -6.992 2.908
76 H CYS 15 H CYS 15 -2.128 -4.630 3.107
77 HA CYS 15 HA CYS 15 -0.337 -3.754 1.047
78 HB2 CYS 15 1HB CYS 15 -0.853 -2.468 3.151
79 HB3 CYS 15 2HB CYS 15 0.099 -3.655 4.036
80 H ASP 16 H ASP 16 1.179 -4.970 0.155
81 HA ASP 16 HA ASP 16 2.012 -7.455 1.314
82 HB2 ASP 16 1HB ASP 16 2.538 -5.985 -1.219
83 HB3 ASP 16 2HB ASP 16 3.726 -7.185 -0.718
84 H GLU 17 H GLU 17 3.049 -4.232 1.577
85 HA GLU 17 HA GLU 17 5.824 -4.648 1.991
86 HB2 GLU 17 1HB GLU 17 4.080 -2.419 3.052
87 HB3 GLU 17 2HB GLU 17 5.833 -2.397 2.928
88 HG2 GLU 17 1HG GLU 17 4.242 -2.872 0.464
89 HG3 GLU 17 2HG GLU 17 4.315 -1.240 1.127
90 H CYS 18 H CYS 18 3.029 -4.570 4.145
91 HA CYS 18 HA CYS 18 4.737 -5.676 6.273
92 HB2 CYS 18 1HB CYS 18 3.384 -4.455 7.932
93 HB3 CYS 18 2HB CYS 18 4.211 -3.359 6.830
94 H GLY 19 H GLY 19 1.519 -5.468 4.843
95 HA2 GLY 19 1HA GLY 19 0.379 -7.630 4.518
96 HA3 GLY 19 2HA GLY 19 0.877 -8.039 6.154
97 H LYS 20 H LYS 20 -0.053 -4.796 5.791
98 HA LYS 20 HA LYS 20 -2.235 -5.061 7.570
99 HB2 LYS 20 1HB LYS 20 -1.085 -2.842 5.935
100 HB3 LYS 20 2HB LYS 20 -2.684 -2.627 6.637
101 HG2 LYS 20 1HG LYS 20 -0.418 -3.535 8.354
102 HG3 LYS 20 2HG LYS 20 -0.582 -1.829 7.929
103 HD2 LYS 20 1HD LYS 20 -3.076 -2.242 8.699
104 HD3 LYS 20 2HD LYS 20 -2.327 -3.549 9.620
105 HE2 LYS 20 1HE LYS 20 -1.555 -0.634 9.723
106 HE3 LYS 20 2HE LYS 20 -2.482 -1.502 10.945
107 HZ1 LYS 20 3HZ LYS 20 -0.419 -3.047 10.963
108 HZ2 LYS 20 1HZ LYS 20 -0.370 -1.578 11.802
109 HZ3 LYS 20 2HZ LYS 20 0.376 -1.713 10.290
110 H ASN 21 H ASN 21 -4.460 -4.250 7.080
111 HA ASN 21 HA ASN 21 -5.322 -5.101 4.394
112 HB2 ASN 21 1HB ASN 21 -6.612 -5.641 7.071
113 HB3 ASN 21 2HB ASN 21 -7.461 -5.846 5.542
114 HD21 ASN 21 1HD2 ASN 21 -7.108 -7.630 4.344
115 HD22 ASN 21 2HD2 ASN 21 -6.035 -8.907 4.795
116 H PHE 22 H PHE 22 -6.701 -3.792 3.323
117 HA PHE 22 HA PHE 22 -8.042 -1.633 4.767
118 HB2 PHE 22 1HB PHE 22 -6.405 -1.099 2.283
119 HB3 PHE 22 2HB PHE 22 -7.237 0.084 3.287
120 HD1 PHE 22 HD2 PHE 22 -4.361 -2.192 3.085
121 HD2 PHE 22 HD1 PHE 22 -6.268 0.896 5.307
122 HE1 PHE 22 HE2 PHE 22 -2.315 -1.892 4.418
123 HE2 PHE 22 HE1 PHE 22 -4.225 1.202 6.643
124 HZ PHE 22 HZ PHE 22 -2.245 -0.194 6.200
125 H CYS 23 H CYS 23 -10.112 -1.910 4.279
126 HA CYS 23 HA CYS 23 -11.151 -3.373 2.172
127 HB2 CYS 23 1HB CYS 23 -12.320 -2.481 4.288
128 HB3 CYS 23 2HB CYS 23 -12.606 -1.018 3.355
129 HG CYS 23 HG CYS 23 -14.489 -1.938 1.780
130 H TYR 24 H TYR 24 -10.472 0.091 2.361
131 HA TYR 24 HA TYR 24 -11.146 0.334 -0.492
132 HB2 TYR 24 1HB TYR 24 -10.895 2.890 0.233
133 HB3 TYR 24 2HB TYR 24 -12.399 2.000 0.446
134 HD1 TYR 24 HD2 TYR 24 -12.776 0.878 2.738
135 HD2 TYR 24 HD1 TYR 24 -9.869 3.910 2.061
136 HE1 TYR 24 HE2 TYR 24 -12.722 1.356 5.150
137 HE2 TYR 24 HE1 TYR 24 -9.806 4.396 4.472
138 HH TYR 24 HH TYR 24 -12.093 3.010 6.686
139 H ILE 25 H ILE 25 -9.494 0.349 -1.849
140 HA ILE 25 HA ILE 25 -6.843 0.206 -1.311
141 HB ILE 25 HB ILE 25 -8.055 0.110 -3.590
142 HG12 ILE 25 1HG1 ILE 25 -5.892 0.744 -4.769
143 HG13 ILE 25 2HG1 ILE 25 -5.290 1.256 -3.196
144 HG21 ILE 25 1HG2 ILE 25 -7.879 2.115 -4.954
145 HG22 ILE 25 2HG2 ILE 25 -8.886 2.415 -3.539
146 HG23 ILE 25 3HG2 ILE 25 -7.227 3.009 -3.581
147 HD11 ILE 25 3HD1 ILE 25 -4.480 -0.851 -3.212
148 HD12 ILE 25 1HD1 ILE 25 -6.075 -1.195 -2.543
149 HD13 ILE 25 2HD1 ILE 25 -5.762 -1.458 -4.259
150 H SER 26 H SER 26 -8.665 3.212 -1.831
151 HA SER 26 HA SER 26 -6.745 5.112 -1.796
152 HB2 SER 26 1HB SER 26 -9.386 5.132 -0.325
153 HB3 SER 26 2HB SER 26 -8.372 6.562 -0.516
154 HG SER 26 HG SER 26 -9.859 6.538 -2.176
155 H ALA 27 H ALA 27 -8.032 3.463 1.069
156 HA ALA 27 HA ALA 27 -6.535 4.867 2.987
157 HB1 ALA 27 3HB ALA 27 -7.926 3.692 4.257
158 HB2 ALA 27 1HB ALA 27 -8.283 2.584 2.931
159 HB3 ALA 27 2HB ALA 27 -6.901 2.282 3.986
160 H LEU 28 H LEU 28 -5.894 1.750 1.390
161 HA LEU 28 HA LEU 28 -3.529 1.073 2.634
162 HB2 LEU 28 1HB LEU 28 -4.303 -0.573 1.247
163 HB3 LEU 28 2HB LEU 28 -4.684 0.553 -0.054
164 HG LEU 28 HG LEU 28 -2.194 0.748 -0.445
165 HD11 LEU 28 1HD1 LEU 28 -1.659 -1.853 0.730
166 HD12 LEU 28 2HD1 LEU 28 -2.023 -0.622 1.939
167 HD13 LEU 28 3HD1 LEU 28 -0.712 -0.366 0.788
168 HD21 LEU 28 3HD2 LEU 28 -2.825 -0.558 -2.130
169 HD22 LEU 28 1HD2 LEU 28 -4.031 -1.371 -1.132
170 HD23 LEU 28 2HD2 LEU 28 -2.362 -1.942 -1.140
171 H ARG 29 H ARG 29 -3.975 3.131 -0.226
172 HA ARG 29 HA ARG 29 -1.295 3.622 -0.796
173 HB2 ARG 29 1HB ARG 29 -3.466 5.686 -1.115
174 HB3 ARG 29 2HB ARG 29 -2.031 5.457 -2.105
175 HG2 ARG 29 1HG ARG 29 -4.439 3.658 -1.966
176 HG3 ARG 29 2HG ARG 29 -3.952 4.690 -3.312
177 HD2 ARG 29 1HD ARG 29 -1.722 3.269 -3.094
178 HD3 ARG 29 2HD ARG 29 -2.836 2.094 -2.397
179 HE ARG 29 HE ARG 29 -3.947 3.023 -4.782
180 HH11 ARG 29 1HH1 ARG 29 -1.198 1.181 -3.700
181 HH12 ARG 29 2HH1 ARG 29 -1.088 0.245 -5.154
182 HH21 ARG 29 1HH2 ARG 29 -3.813 1.798 -6.701
183 HH22 ARG 29 2HH2 ARG 29 -2.576 0.598 -6.860
184 H ILE 30 H ILE 30 -3.504 5.364 1.365
185 HA ILE 30 HA ILE 30 -1.726 7.408 2.108
186 HB ILE 30 HB ILE 30 -4.010 6.213 3.682
187 HG12 ILE 30 1HG1 ILE 30 -4.065 8.832 2.220
188 HG13 ILE 30 2HG1 ILE 30 -4.349 7.332 1.344
189 HG21 ILE 30 1HG2 ILE 30 -3.978 8.243 5.000
190 HG22 ILE 30 2HG2 ILE 30 -2.413 7.439 5.098
191 HG23 ILE 30 3HG2 ILE 30 -2.613 8.856 4.069
192 HD11 ILE 30 3HD1 ILE 30 -5.996 8.625 3.466
193 HD12 ILE 30 1HD1 ILE 30 -6.479 8.011 1.885
194 HD13 ILE 30 2HD1 ILE 30 -6.107 6.886 3.192
195 H HIS 31 H HIS 31 -2.287 4.185 3.430
196 HA HIS 31 HA HIS 31 -0.613 4.507 5.705
197 HB2 HIS 31 1HB HIS 31 -2.076 2.747 5.992
198 HB3 HIS 31 2HB HIS 31 -1.917 2.203 4.325
199 HD1 HIS 31 HD1 HIS 31 -0.151 2.036 7.648
200 HD2 HIS 31 HD2 HIS 31 -0.004 0.263 3.893
201 HE1 HIS 31 HE1 HIS 31 1.433 0.097 7.882
202 H GLN 32 H GLN 32 -0.108 3.113 2.485
203 HA GLN 32 HA GLN 32 2.377 2.018 2.720
204 HB2 GLN 32 1HB GLN 32 1.092 3.543 0.477
205 HB3 GLN 32 2HB GLN 32 2.729 2.923 0.312
206 HG2 GLN 32 1HG GLN 32 1.698 0.668 1.028
207 HG3 GLN 32 2HG GLN 32 0.163 1.420 0.596
208 HE21 GLN 32 1HE2 GLN 32 0.113 2.426 -1.602
209 HE22 GLN 32 2HE2 GLN 32 0.898 1.571 -2.881
210 H ARG 33 H ARG 33 1.545 5.406 2.715
211 HA ARG 33 HA ARG 33 3.895 6.659 2.108
212 HB2 ARG 33 1HB ARG 33 1.941 7.338 4.311
213 HB3 ARG 33 2HB ARG 33 3.213 8.418 3.756
214 HG2 ARG 33 1HG ARG 33 2.206 8.361 1.492
215 HG3 ARG 33 2HG ARG 33 0.881 7.398 2.150
216 HD2 ARG 33 1HD ARG 33 0.282 9.763 2.012
217 HD3 ARG 33 2HD ARG 33 0.315 9.205 3.683
218 HE ARG 33 HE ARG 33 2.083 11.135 2.451
219 HH11 ARG 33 1HH1 ARG 33 1.518 8.997 5.140
220 HH12 ARG 33 2HH1 ARG 33 2.590 9.842 6.206
221 HH21 ARG 33 1HH2 ARG 33 3.497 12.257 3.845
222 HH22 ARG 33 2HH2 ARG 33 3.715 11.697 5.469
223 H VAL 34 H VAL 34 3.076 4.970 5.083
224 HA VAL 34 HA VAL 34 5.265 5.800 6.638
225 HB VAL 34 HB VAL 34 4.779 3.991 8.106
226 HG11 VAL 34 1HG1 VAL 34 2.832 5.767 7.215
227 HG12 VAL 34 2HG1 VAL 34 2.010 4.209 7.314
228 HG13 VAL 34 3HG1 VAL 34 2.831 4.865 8.730
229 HG21 VAL 34 3HG2 VAL 34 4.739 2.069 6.800
230 HG22 VAL 34 1HG2 VAL 34 3.057 2.237 7.305
231 HG23 VAL 34 2HG2 VAL 34 3.545 2.733 5.684
232 H HIS 35 H HIS 35 4.902 3.227 4.271
233 HA HIS 35 HA HIS 35 7.414 1.987 4.842
234 HB2 HIS 35 1HB HIS 35 5.482 1.766 2.537
235 HB3 HIS 35 2HB HIS 35 6.997 0.870 2.587
236 HD1 HIS 35 HD1 HIS 35 7.241 -0.785 4.726
237 HD2 HIS 35 HD2 HIS 35 3.414 0.556 3.823
238 HE1 HIS 35 HE1 HIS 35 5.680 -2.355 5.918
239 H MET 36 H MET 36 6.524 4.816 3.227
240 HA MET 36 HA MET 36 8.835 4.807 1.449
241 HB2 MET 36 1HB MET 36 6.777 6.982 1.850
242 HB3 MET 36 2HB MET 36 7.936 6.854 0.534
243 HG2 MET 36 1HG MET 36 5.835 4.772 1.032
244 HG3 MET 36 2HG MET 36 5.545 6.196 0.035
245 HE1 MET 36 3HE MET 36 5.643 2.896 -1.755
246 HE2 MET 36 1HE MET 36 4.705 4.313 -1.282
247 HE3 MET 36 2HE MET 36 5.551 4.292 -2.830
248 H GLY 37 H GLY 37 9.712 4.671 3.992
249 HA2 GLY 37 1HA GLY 37 10.542 7.435 4.628
250 HA3 GLY 37 2HA GLY 37 10.381 6.159 5.826
251 H GLU 38 H GLU 38 12.515 7.823 3.858
252 HA GLU 38 HA GLU 38 14.669 7.467 3.154
253 HB2 GLU 38 1HB GLU 38 16.167 6.844 4.942
254 HB3 GLU 38 2HB GLU 38 14.878 7.844 5.598
255 HG2 GLU 38 1HG GLU 38 13.838 6.019 6.636
256 HG3 GLU 38 2HG GLU 38 14.765 4.851 5.697
257 H LYS 39 H LYS 39 12.722 5.319 2.498
258 HA LYS 39 HA LYS 39 12.695 3.258 1.537
259 HB2 LYS 39 1HB LYS 39 15.490 4.200 1.150
260 HB3 LYS 39 2HB LYS 39 15.156 2.505 0.822
261 HG2 LYS 39 1HG LYS 39 14.823 3.429 -1.243
262 HG3 LYS 39 2HG LYS 39 13.183 3.468 -0.592
263 HD2 LYS 39 1HD LYS 39 14.938 5.819 -0.106
264 HD3 LYS 39 2HD LYS 39 14.287 5.591 -1.731
265 HE2 LYS 39 1HE LYS 39 12.458 5.389 0.617
266 HE3 LYS 39 2HE LYS 39 12.972 6.982 0.063
267 HZ1 LYS 39 3HZ LYS 39 11.773 4.963 -1.745
268 HZ2 LYS 39 1HZ LYS 39 12.015 6.611 -2.044
269 HZ3 LYS 39 2HZ LYS 39 10.851 6.118 -0.921
270 H CYS 40 H CYS 40 12.646 3.213 4.288
271 HA CYS 40 HA CYS 40 14.594 1.418 5.363
272 HB2 CYS 40 1HB CYS 40 13.103 1.347 7.335
273 HB3 CYS 40 2HB CYS 40 13.445 2.993 6.819
274 HG CYS 40 HG CYS 40 10.840 3.104 7.567
275 H SER 41 H SER 41 14.145 -0.020 3.352
276 HA SER 41 HA SER 41 11.832 -1.720 3.518
277 HB2 SER 41 1HB SER 41 14.276 -1.633 1.775
278 HB3 SER 41 2HB SER 41 13.230 -3.053 1.760
279 HG SER 41 HG SER 41 12.852 -0.633 0.614
280 H GLY 42 H GLY 42 15.328 -2.435 3.712
281 HA2 GLY 42 1HA GLY 42 15.019 -5.015 4.775
282 HA3 GLY 42 2HA GLY 42 16.477 -4.040 4.882
283 HA PRO 43 HA PRO 43 14.930 -4.684 9.184
284 HB2 PRO 43 1HB PRO 43 17.389 -5.149 10.237
285 HB3 PRO 43 2HB PRO 43 16.403 -6.418 9.501
286 HG2 PRO 43 1HG PRO 43 18.682 -4.870 8.328
287 HG3 PRO 43 2HG PRO 43 18.331 -6.605 8.214
288 HD2 PRO 43 1HD PRO 43 17.753 -4.867 6.219
289 HD3 PRO 43 2HD PRO 43 16.768 -6.307 6.546
290 H SER 44 H SER 44 14.380 -2.533 9.501
291 HA SER 44 HA SER 44 16.600 -0.723 10.195
292 HB2 SER 44 1HB SER 44 15.159 -0.088 8.199
293 HB3 SER 44 2HB SER 44 13.835 0.144 9.340
294 HG SER 44 HG SER 44 16.254 1.396 9.919
295 H SER 45 H SER 45 16.741 -0.137 12.252
296 HA SER 45 HA SER 45 14.480 -0.694 14.030
297 HB2 SER 45 1HB SER 45 16.889 -1.563 14.431
298 HB3 SER 45 2HB SER 45 17.237 0.087 14.949
299 HG SER 45 HG SER 45 14.970 -1.093 16.029
300 H GLY 46 H GLY 46 13.197 1.117 13.630
301 HA2 GLY 46 1HA GLY 46 12.743 3.161 14.980
302 HA3 GLY 46 2HA GLY 46 14.362 3.679 14.535
Start of MODEL 17
1 H1 GLY 1 H GLY 1 5.926 -28.609 -1.496
2 HA2 GLY 1 1HA GLY 1 5.036 -26.421 -1.603
3 HA3 GLY 1 2HA GLY 1 3.996 -27.328 -2.691
4 H SER 2 H SER 2 4.289 -26.830 0.831
5 HA SER 2 HA SER 2 1.366 -26.722 0.991
6 HB2 SER 2 1HB SER 2 3.549 -27.282 2.965
7 HB3 SER 2 2HB SER 2 1.989 -26.701 3.547
8 HG SER 2 HG SER 2 2.018 -28.814 1.717
9 H SER 3 H SER 3 0.259 -24.967 1.756
10 HA SER 3 HA SER 3 1.587 -22.692 2.894
11 HB2 SER 3 1HB SER 3 1.916 -22.599 0.308
12 HB3 SER 3 2HB SER 3 0.216 -22.129 0.280
13 HG SER 3 HG SER 3 2.405 -20.792 1.454
14 H GLY 4 H GLY 4 0.191 -21.405 4.012
15 HA2 GLY 4 1HA GLY 4 -2.692 -21.809 3.577
16 HA3 GLY 4 2HA GLY 4 -2.019 -22.021 5.186
17 H SER 5 H SER 5 -3.979 -20.252 5.020
18 HA SER 5 HA SER 5 -2.623 -17.634 5.014
19 HB2 SER 5 1HB SER 5 -4.228 -17.598 3.246
20 HB3 SER 5 2HB SER 5 -5.462 -18.344 4.263
21 HG SER 5 HG SER 5 -5.952 -16.447 5.015
22 H SER 6 H SER 6 -2.672 -16.477 6.842
23 HA SER 6 HA SER 6 -3.877 -17.665 9.189
24 HB2 SER 6 1HB SER 6 -1.552 -16.452 8.958
25 HB3 SER 6 2HB SER 6 -2.512 -14.998 9.230
26 HG SER 6 HG SER 6 -1.583 -16.206 11.127
27 H GLY 7 H GLY 7 -4.126 -14.578 7.434
28 HA2 GLY 7 1HA GLY 7 -6.314 -13.667 9.071
29 HA3 GLY 7 2HA GLY 7 -5.679 -12.872 7.638
30 H SER 8 H SER 8 -8.440 -13.189 8.323
31 HA SER 8 HA SER 8 -9.310 -14.839 6.044
32 HB2 SER 8 1HB SER 8 -9.974 -16.003 8.056
33 HB3 SER 8 2HB SER 8 -10.665 -14.528 8.732
34 HG SER 8 HG SER 8 -12.035 -16.230 7.522
35 H GLY 9 H GLY 9 -9.528 -13.181 4.591
36 HA2 GLY 9 1HA GLY 9 -11.555 -11.144 5.282
37 HA3 GLY 9 2HA GLY 9 -10.116 -10.750 4.352
38 H GLU 10 H GLU 10 -11.357 -9.996 2.609
39 HA GLU 10 HA GLU 10 -11.996 -11.975 0.672
40 HB2 GLU 10 1HB GLU 10 -14.040 -12.170 1.992
41 HB3 GLU 10 2HB GLU 10 -14.302 -10.436 1.878
42 HG2 GLU 10 1HG GLU 10 -15.665 -11.914 0.339
43 HG3 GLU 10 2HG GLU 10 -14.831 -10.546 -0.396
44 H LYS 11 H LYS 11 -11.415 -11.110 -1.197
45 HA LYS 11 HA LYS 11 -10.569 -9.469 -2.594
46 HB2 LYS 11 1HB LYS 11 -13.012 -9.880 -3.148
47 HB3 LYS 11 2HB LYS 11 -13.372 -8.401 -2.267
48 HG2 LYS 11 1HG LYS 11 -11.940 -7.145 -3.811
49 HG3 LYS 11 2HG LYS 11 -11.621 -8.632 -4.707
50 HD2 LYS 11 1HD LYS 11 -13.339 -7.774 -5.954
51 HD3 LYS 11 2HD LYS 11 -14.255 -8.739 -4.795
52 HE2 LYS 11 1HE LYS 11 -13.627 -5.912 -4.107
53 HE3 LYS 11 2HE LYS 11 -14.879 -6.223 -5.309
54 HZ1 LYS 11 3HZ LYS 11 -14.993 -6.507 -2.481
55 HZ2 LYS 11 1HZ LYS 11 -15.414 -7.955 -3.248
56 HZ3 LYS 11 2HZ LYS 11 -16.251 -6.532 -3.611
57 H SER 12 H SER 12 -9.848 -8.822 0.016
58 HA SER 12 HA SER 12 -10.324 -5.924 0.178
59 HB2 SER 12 1HB SER 12 -10.914 -7.152 2.209
60 HB3 SER 12 2HB SER 12 -9.295 -7.846 2.281
61 HG SER 12 HG SER 12 -9.737 -5.917 3.621
62 H HIS 13 H HIS 13 -8.620 -4.483 0.295
63 HA HIS 13 HA HIS 13 -6.198 -5.321 -0.994
64 HB2 HIS 13 1HB HIS 13 -6.680 -2.625 0.265
65 HB3 HIS 13 2HB HIS 13 -5.626 -3.022 -1.088
66 HD1 HIS 13 HD1 HIS 13 -6.670 -3.108 -3.410
67 HD2 HIS 13 HD2 HIS 13 -9.437 -2.453 -0.381
68 HE1 HIS 13 HE1 HIS 13 -8.803 -2.463 -4.576
69 H THR 14 H THR 14 -4.532 -6.207 0.014
70 HA THR 14 HA THR 14 -4.056 -5.511 2.838
71 HB THR 14 HB THR 14 -3.330 -8.058 1.376
72 HG1 THR 14 HG1 THR 14 -5.585 -7.718 2.047
73 HG21 THR 14 3HG2 THR 14 -3.057 -7.592 4.328
74 HG22 THR 14 1HG2 THR 14 -1.750 -7.179 3.219
75 HG23 THR 14 2HG2 THR 14 -2.319 -8.845 3.330
76 H CYS 15 H CYS 15 -2.082 -4.793 3.455
77 HA CYS 15 HA CYS 15 -0.280 -3.904 1.405
78 HB2 CYS 15 1HB CYS 15 -0.822 -2.649 3.540
79 HB3 CYS 15 2HB CYS 15 0.180 -3.822 4.388
80 H ASP 16 H ASP 16 1.091 -5.261 0.464
81 HA ASP 16 HA ASP 16 1.951 -7.702 1.648
82 HB2 ASP 16 1HB ASP 16 3.658 -7.469 -0.391
83 HB3 ASP 16 2HB ASP 16 1.973 -7.926 -0.628
84 H GLU 17 H GLU 17 3.130 -4.471 1.706
85 HA GLU 17 HA GLU 17 5.863 -4.962 2.190
86 HB2 GLU 17 1HB GLU 17 4.066 -2.655 2.929
87 HB3 GLU 17 2HB GLU 17 5.791 -2.664 3.267
88 HG2 GLU 17 1HG GLU 17 4.909 -3.223 0.490
89 HG3 GLU 17 2HG GLU 17 4.801 -1.568 1.085
90 H CYS 18 H CYS 18 3.158 -4.395 4.431
91 HA CYS 18 HA CYS 18 4.826 -5.511 6.589
92 HB2 CYS 18 1HB CYS 18 3.412 -4.248 8.158
93 HB3 CYS 18 2HB CYS 18 4.196 -3.183 6.996
94 H GLY 19 H GLY 19 1.566 -5.435 5.206
95 HA2 GLY 19 1HA GLY 19 0.489 -7.641 4.942
96 HA3 GLY 19 2HA GLY 19 1.044 -8.005 6.569
97 H LYS 20 H LYS 20 -0.073 -4.810 6.013
98 HA LYS 20 HA LYS 20 -2.197 -5.131 7.898
99 HB2 LYS 20 1HB LYS 20 -1.136 -2.865 6.254
100 HB3 LYS 20 2HB LYS 20 -2.702 -2.701 7.036
101 HG2 LYS 20 1HG LYS 20 -0.414 -3.630 8.682
102 HG3 LYS 20 2HG LYS 20 -0.470 -1.931 8.209
103 HD2 LYS 20 1HD LYS 20 -2.855 -1.922 9.090
104 HD3 LYS 20 2HD LYS 20 -2.483 -3.488 9.814
105 HE2 LYS 20 1HE LYS 20 -1.992 -2.061 11.551
106 HE3 LYS 20 2HE LYS 20 -0.414 -2.222 10.782
107 HZ1 LYS 20 3HZ LYS 20 -2.193 -0.048 9.929
108 HZ2 LYS 20 1HZ LYS 20 -0.503 -0.111 9.944
109 HZ3 LYS 20 2HZ LYS 20 -1.353 0.112 11.389
110 H ASN 21 H ASN 21 -4.436 -4.311 7.406
111 HA ASN 21 HA ASN 21 -5.293 -5.201 4.731
112 HB2 ASN 21 1HB ASN 21 -6.534 -5.732 7.426
113 HB3 ASN 21 2HB ASN 21 -7.454 -5.884 5.931
114 HD21 ASN 21 1HD2 ASN 21 -7.523 -8.103 7.061
115 HD22 ASN 21 2HD2 ASN 21 -6.341 -9.242 6.520
116 H PHE 22 H PHE 22 -6.712 -3.934 3.648
117 HA PHE 22 HA PHE 22 -8.017 -1.728 5.053
118 HB2 PHE 22 1HB PHE 22 -6.408 -1.294 2.531
119 HB3 PHE 22 2HB PHE 22 -7.254 -0.069 3.470
120 HD1 PHE 22 HD2 PHE 22 -4.333 -2.278 3.346
121 HD2 PHE 22 HD1 PHE 22 -6.320 0.813 5.494
122 HE1 PHE 22 HE2 PHE 22 -2.293 -1.887 4.665
123 HE2 PHE 22 HE1 PHE 22 -4.283 1.209 6.815
124 HZ PHE 22 HZ PHE 22 -2.267 -0.143 6.403
125 H CYS 23 H CYS 23 -10.098 -2.035 4.628
126 HA CYS 23 HA CYS 23 -11.184 -3.551 2.584
127 HB2 CYS 23 1HB CYS 23 -12.266 -1.396 4.355
128 HB3 CYS 23 2HB CYS 23 -13.261 -1.991 3.032
129 HG CYS 23 HG CYS 23 -12.393 -4.721 4.270
130 H TYR 24 H TYR 24 -10.513 -0.082 2.669
131 HA TYR 24 HA TYR 24 -11.271 0.094 -0.168
132 HB2 TYR 24 1HB TYR 24 -10.971 2.664 0.483
133 HB3 TYR 24 2HB TYR 24 -12.474 1.795 0.775
134 HD1 TYR 24 HD2 TYR 24 -12.601 0.591 3.129
135 HD2 TYR 24 HD1 TYR 24 -10.040 3.866 2.223
136 HE1 TYR 24 HE2 TYR 24 -12.452 1.130 5.524
137 HE2 TYR 24 HE1 TYR 24 -9.883 4.413 4.615
138 HH TYR 24 HH TYR 24 -11.718 3.783 6.771
139 H ILE 25 H ILE 25 -9.706 0.193 -1.625
140 HA ILE 25 HA ILE 25 -7.026 -0.021 -1.183
141 HB ILE 25 HB ILE 25 -8.147 -0.240 -3.401
142 HG12 ILE 25 1HG1 ILE 25 -6.223 0.860 -4.689
143 HG13 ILE 25 2HG1 ILE 25 -5.651 1.428 -3.124
144 HG21 ILE 25 1HG2 ILE 25 -8.592 1.661 -4.760
145 HG22 ILE 25 2HG2 ILE 25 -9.382 1.934 -3.208
146 HG23 ILE 25 3HG2 ILE 25 -7.864 2.751 -3.580
147 HD11 ILE 25 3HD1 ILE 25 -5.987 -1.194 -2.602
148 HD12 ILE 25 1HD1 ILE 25 -5.564 -1.251 -4.312
149 HD13 ILE 25 2HD1 ILE 25 -4.476 -0.477 -3.159
150 H SER 26 H SER 26 -8.828 3.006 -1.652
151 HA SER 26 HA SER 26 -6.890 4.884 -1.700
152 HB2 SER 26 1HB SER 26 -9.317 5.107 0.092
153 HB3 SER 26 2HB SER 26 -8.424 6.430 -0.657
154 HG SER 26 HG SER 26 -9.391 6.052 -2.509
155 H ALA 27 H ALA 27 -8.171 3.426 1.285
156 HA ALA 27 HA ALA 27 -6.568 4.766 3.114
157 HB1 ALA 27 3HB ALA 27 -8.336 2.526 3.142
158 HB2 ALA 27 1HB ALA 27 -6.891 2.134 4.074
159 HB3 ALA 27 2HB ALA 27 -7.840 3.566 4.477
160 H LEU 28 H LEU 28 -5.977 1.569 1.643
161 HA LEU 28 HA LEU 28 -3.536 0.995 2.767
162 HB2 LEU 28 1HB LEU 28 -4.511 -0.684 1.478
163 HB3 LEU 28 2HB LEU 28 -4.710 0.375 0.083
164 HG LEU 28 HG LEU 28 -2.221 0.332 -0.197
165 HD11 LEU 28 1HD1 LEU 28 -2.336 -0.912 2.329
166 HD12 LEU 28 2HD1 LEU 28 -0.914 -0.579 1.341
167 HD13 LEU 28 3HD1 LEU 28 -1.754 -2.121 1.184
168 HD21 LEU 28 3HD2 LEU 28 -2.241 -1.658 -1.416
169 HD22 LEU 28 1HD2 LEU 28 -3.936 -1.175 -1.365
170 HD23 LEU 28 2HD2 LEU 28 -3.350 -2.446 -0.292
171 H ARG 29 H ARG 29 -4.161 2.889 -0.172
172 HA ARG 29 HA ARG 29 -1.524 3.378 -0.913
173 HB2 ARG 29 1HB ARG 29 -3.836 5.302 -1.213
174 HB3 ARG 29 2HB ARG 29 -2.372 5.252 -2.187
175 HG2 ARG 29 1HG ARG 29 -4.325 2.973 -2.057
176 HG3 ARG 29 2HG ARG 29 -4.437 4.277 -3.240
177 HD2 ARG 29 1HD ARG 29 -2.140 2.359 -2.873
178 HD3 ARG 29 2HD ARG 29 -3.287 2.387 -4.212
179 HE ARG 29 HE ARG 29 -2.213 4.849 -4.320
180 HH11 ARG 29 1HH1 ARG 29 -0.796 1.676 -4.110
181 HH12 ARG 29 2HH1 ARG 29 0.639 2.117 -4.975
182 HH21 ARG 29 1HH2 ARG 29 -0.328 5.442 -5.460
183 HH22 ARG 29 2HH2 ARG 29 0.905 4.259 -5.742
184 H ILE 30 H ILE 30 -3.606 5.123 1.352
185 HA ILE 30 HA ILE 30 -1.812 7.245 1.869
186 HB ILE 30 HB ILE 30 -4.013 6.126 3.609
187 HG12 ILE 30 1HG1 ILE 30 -4.108 8.651 1.976
188 HG13 ILE 30 2HG1 ILE 30 -4.519 7.095 1.262
189 HG21 ILE 30 1HG2 ILE 30 -2.013 8.131 4.129
190 HG22 ILE 30 2HG2 ILE 30 -3.629 8.831 4.174
191 HG23 ILE 30 3HG2 ILE 30 -3.235 7.459 5.208
192 HD11 ILE 30 3HD1 ILE 30 -6.384 8.601 2.231
193 HD12 ILE 30 1HD1 ILE 30 -6.420 6.866 2.541
194 HD13 ILE 30 2HD1 ILE 30 -5.842 7.973 3.787
195 H HIS 31 H HIS 31 -2.325 4.106 3.409
196 HA HIS 31 HA HIS 31 -0.545 4.529 5.573
197 HB2 HIS 31 1HB HIS 31 -1.964 2.769 6.007
198 HB3 HIS 31 2HB HIS 31 -1.896 2.166 4.353
199 HD1 HIS 31 HD1 HIS 31 0.043 2.117 7.581
200 HD2 HIS 31 HD2 HIS 31 0.012 0.227 3.881
201 HE1 HIS 31 HE1 HIS 31 1.650 0.195 7.795
202 H GLN 32 H GLN 32 -0.162 2.928 2.426
203 HA GLN 32 HA GLN 32 2.370 1.922 2.635
204 HB2 GLN 32 1HB GLN 32 0.980 3.234 0.309
205 HB3 GLN 32 2HB GLN 32 2.582 2.524 0.150
206 HG2 GLN 32 1HG GLN 32 1.616 0.376 0.992
207 HG3 GLN 32 2HG GLN 32 0.024 1.125 0.879
208 HE21 GLN 32 1HE2 GLN 32 -0.820 1.624 -1.157
209 HE22 GLN 32 2HE2 GLN 32 -0.206 0.897 -2.599
210 H ARG 33 H ARG 33 1.422 5.273 2.262
211 HA ARG 33 HA ARG 33 3.709 6.513 1.451
212 HB2 ARG 33 1HB ARG 33 1.907 7.436 3.697
213 HB3 ARG 33 2HB ARG 33 3.014 8.454 2.786
214 HG2 ARG 33 1HG ARG 33 1.715 7.827 0.723
215 HG3 ARG 33 2HG ARG 33 0.524 7.095 1.800
216 HD2 ARG 33 1HD ARG 33 -0.167 9.338 1.226
217 HD3 ARG 33 2HD ARG 33 0.257 9.266 2.935
218 HE ARG 33 HE ARG 33 2.550 10.103 1.847
219 HH11 ARG 33 1HH1 ARG 33 -0.737 11.155 1.386
220 HH12 ARG 33 2HH1 ARG 33 -0.300 12.794 1.032
221 HH21 ARG 33 1HH2 ARG 33 3.137 12.258 1.383
222 HH22 ARG 33 2HH2 ARG 33 1.903 13.420 1.030
223 H VAL 34 H VAL 34 3.089 5.026 4.555
224 HA VAL 34 HA VAL 34 5.278 6.128 5.963
225 HB VAL 34 HB VAL 34 4.882 4.519 7.640
226 HG11 VAL 34 1HG1 VAL 34 2.130 4.323 7.063
227 HG12 VAL 34 2HG1 VAL 34 2.944 5.504 8.091
228 HG13 VAL 34 3HG1 VAL 34 2.688 5.849 6.380
229 HG21 VAL 34 3HG2 VAL 34 5.047 2.503 6.325
230 HG22 VAL 34 1HG2 VAL 34 3.542 2.472 7.244
231 HG23 VAL 34 2HG2 VAL 34 3.517 2.858 5.523
232 H HIS 35 H HIS 35 4.913 3.215 3.998
233 HA HIS 35 HA HIS 35 7.470 2.134 4.563
234 HB2 HIS 35 1HB HIS 35 5.539 1.701 2.284
235 HB3 HIS 35 2HB HIS 35 7.057 0.820 2.428
236 HD1 HIS 35 HD1 HIS 35 7.287 -0.595 4.754
237 HD2 HIS 35 HD2 HIS 35 3.463 0.559 3.608
238 HE1 HIS 35 HE1 HIS 35 5.721 -2.070 6.056
239 H MET 36 H MET 36 6.273 4.375 2.132
240 HA MET 36 HA MET 36 8.232 4.454 0.264
241 HB2 MET 36 1HB MET 36 6.810 6.763 1.586
242 HB3 MET 36 2HB MET 36 7.851 6.961 0.182
243 HG2 MET 36 1HG MET 36 6.342 5.166 -0.897
244 HG3 MET 36 2HG MET 36 5.215 5.574 0.394
245 HE1 MET 36 3HE MET 36 5.939 9.250 0.207
246 HE2 MET 36 1HE MET 36 4.205 9.052 -0.052
247 HE3 MET 36 2HE MET 36 5.050 8.009 1.092
248 H GLY 37 H GLY 37 10.351 4.884 0.164
249 HA2 GLY 37 1HA GLY 37 11.609 6.073 2.561
250 HA3 GLY 37 2HA GLY 37 12.361 4.811 1.596
251 H GLU 38 H GLU 38 11.968 5.710 -0.960
252 HA GLU 38 HA GLU 38 13.993 7.700 -1.170
253 HB2 GLU 38 1HB GLU 38 12.283 6.195 -3.106
254 HB3 GLU 38 2HB GLU 38 13.163 7.609 -3.669
255 HG2 GLU 38 1HG GLU 38 15.222 6.631 -3.335
256 HG3 GLU 38 2HG GLU 38 14.598 5.476 -2.159
257 H LYS 39 H LYS 39 13.245 9.557 -0.144
258 HA LYS 39 HA LYS 39 10.941 10.894 -1.395
259 HB2 LYS 39 1HB LYS 39 10.729 10.545 1.022
260 HB3 LYS 39 2HB LYS 39 12.245 11.397 1.288
261 HG2 LYS 39 1HG LYS 39 11.172 13.413 0.237
262 HG3 LYS 39 2HG LYS 39 9.644 12.529 0.293
263 HD2 LYS 39 1HD LYS 39 9.946 12.270 2.744
264 HD3 LYS 39 2HD LYS 39 11.390 13.279 2.638
265 HE2 LYS 39 1HE LYS 39 8.614 14.128 1.817
266 HE3 LYS 39 2HE LYS 39 9.385 14.535 3.350
267 HZ1 LYS 39 3HZ LYS 39 9.489 16.085 1.193
268 HZ2 LYS 39 1HZ LYS 39 10.903 15.185 0.963
269 HZ3 LYS 39 2HZ LYS 39 10.688 16.074 2.386
270 H CYS 40 H CYS 40 11.714 12.064 -3.058
271 HA CYS 40 HA CYS 40 14.226 13.191 -3.326
272 HB2 CYS 40 1HB CYS 40 12.636 12.972 -5.184
273 HB3 CYS 40 2HB CYS 40 11.615 14.211 -4.464
274 HG CYS 40 HG CYS 40 14.199 15.880 -4.611
275 H SER 41 H SER 41 15.134 15.167 -2.870
276 HA SER 41 HA SER 41 14.713 16.422 -0.525
277 HB2 SER 41 1HB SER 41 15.841 17.365 -3.119
278 HB3 SER 41 2HB SER 41 15.556 18.569 -1.862
279 HG SER 41 HG SER 41 17.673 17.552 -1.829
280 H GLY 42 H GLY 42 13.263 17.471 -3.608
281 HA2 GLY 42 1HA GLY 42 11.004 18.198 -3.793
282 HA3 GLY 42 2HA GLY 42 11.020 18.588 -2.080
283 HA PRO 43 HA PRO 43 11.782 22.382 -4.825
284 HB2 PRO 43 1HB PRO 43 9.393 23.608 -4.424
285 HB3 PRO 43 2HB PRO 43 9.682 22.481 -5.754
286 HG2 PRO 43 1HG PRO 43 8.350 21.998 -3.117
287 HG3 PRO 43 2HG PRO 43 7.869 21.445 -4.732
288 HD2 PRO 43 1HD PRO 43 9.155 19.844 -2.968
289 HD3 PRO 43 2HD PRO 43 9.377 19.703 -4.723
290 H SER 44 H SER 44 9.849 22.215 -1.832
291 HA SER 44 HA SER 44 11.754 23.585 -0.270
292 HB2 SER 44 1HB SER 44 11.029 25.516 -1.634
293 HB3 SER 44 2HB SER 44 9.368 25.255 -1.102
294 HG SER 44 HG SER 44 11.556 25.784 0.628
295 H SER 45 H SER 45 11.389 23.073 1.792
296 HA SER 45 HA SER 45 8.722 22.054 2.500
297 HB2 SER 45 1HB SER 45 10.765 20.535 2.674
298 HB3 SER 45 2HB SER 45 11.279 21.547 4.023
299 HG SER 45 HG SER 45 10.091 20.141 5.082
300 H GLY 46 H GLY 46 7.501 23.308 3.737
301 HA2 GLY 46 1HA GLY 46 8.839 25.302 5.454
302 HA3 GLY 46 2HA GLY 46 7.243 25.510 4.748
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -20.914 -6.883 -22.229
2 HA2 GLY 1 1HA GLY 1 -23.198 -6.674 -21.586
3 HA3 GLY 1 2HA GLY 1 -23.642 -7.700 -22.942
4 H SER 2 H SER 2 -22.124 -9.901 -22.649
5 HA SER 2 HA SER 2 -23.466 -11.391 -20.724
6 HB2 SER 2 1HB SER 2 -21.894 -13.177 -21.210
7 HB3 SER 2 2HB SER 2 -22.294 -12.338 -22.709
8 HG SER 2 HG SER 2 -20.264 -11.046 -21.956
9 H SER 3 H SER 3 -23.097 -11.926 -18.639
10 HA SER 3 HA SER 3 -20.615 -11.675 -17.313
11 HB2 SER 3 1HB SER 3 -21.241 -9.785 -15.789
12 HB3 SER 3 2HB SER 3 -20.960 -9.291 -17.458
13 HG SER 3 HG SER 3 -23.370 -9.613 -17.627
14 H GLY 4 H GLY 4 -20.649 -12.665 -15.329
15 HA2 GLY 4 1HA GLY 4 -23.199 -13.196 -14.026
16 HA3 GLY 4 2HA GLY 4 -22.349 -14.600 -14.654
17 H SER 5 H SER 5 -21.432 -11.665 -12.844
18 HA SER 5 HA SER 5 -20.002 -13.419 -10.955
19 HB2 SER 5 1HB SER 5 -18.529 -11.417 -10.530
20 HB3 SER 5 2HB SER 5 -18.389 -12.100 -12.150
21 HG SER 5 HG SER 5 -18.571 -9.880 -12.328
22 H SER 6 H SER 6 -19.862 -12.636 -8.737
23 HA SER 6 HA SER 6 -22.401 -11.507 -7.893
24 HB2 SER 6 1HB SER 6 -21.865 -12.295 -5.710
25 HB3 SER 6 2HB SER 6 -21.328 -13.552 -6.825
26 HG SER 6 HG SER 6 -19.873 -12.586 -5.011
27 H GLY 7 H GLY 7 -22.636 -9.673 -6.592
28 HA2 GLY 7 1HA GLY 7 -20.409 -7.765 -6.837
29 HA3 GLY 7 2HA GLY 7 -22.103 -7.335 -6.653
30 H SER 8 H SER 8 -19.276 -8.610 -4.986
31 HA SER 8 HA SER 8 -20.279 -7.442 -2.504
32 HB2 SER 8 1HB SER 8 -20.021 -9.395 -1.202
33 HB3 SER 8 2HB SER 8 -20.863 -9.942 -2.652
34 HG SER 8 HG SER 8 -18.727 -10.517 -3.462
35 H GLY 9 H GLY 9 -18.592 -7.239 -0.846
36 HA2 GLY 9 1HA GLY 9 -15.956 -6.874 -2.117
37 HA3 GLY 9 2HA GLY 9 -16.553 -5.942 -0.752
38 H GLU 10 H GLU 10 -16.292 -9.433 -1.433
39 HA GLU 10 HA GLU 10 -15.662 -10.108 1.231
40 HB2 GLU 10 1HB GLU 10 -15.030 -12.316 0.297
41 HB3 GLU 10 2HB GLU 10 -16.600 -11.757 -0.264
42 HG2 GLU 10 1HG GLU 10 -15.150 -10.822 -2.265
43 HG3 GLU 10 2HG GLU 10 -14.065 -12.116 -1.759
44 H LYS 11 H LYS 11 -13.622 -9.695 -1.644
45 HA LYS 11 HA LYS 11 -11.176 -10.412 -0.536
46 HB2 LYS 11 1HB LYS 11 -10.151 -9.291 -2.362
47 HB3 LYS 11 2HB LYS 11 -11.681 -9.916 -2.964
48 HG2 LYS 11 1HG LYS 11 -11.522 -7.119 -1.935
49 HG3 LYS 11 2HG LYS 11 -10.942 -7.502 -3.557
50 HD2 LYS 11 1HD LYS 11 -13.193 -8.598 -3.953
51 HD3 LYS 11 2HD LYS 11 -13.719 -7.845 -2.445
52 HE2 LYS 11 1HE LYS 11 -14.395 -6.352 -4.118
53 HE3 LYS 11 2HE LYS 11 -12.915 -5.648 -3.468
54 HZ1 LYS 11 3HZ LYS 11 -11.714 -6.708 -5.338
55 HZ2 LYS 11 1HZ LYS 11 -12.833 -5.540 -5.833
56 HZ3 LYS 11 2HZ LYS 11 -13.201 -7.183 -5.991
57 H SER 12 H SER 12 -9.325 -8.837 -0.156
58 HA SER 12 HA SER 12 -10.019 -6.279 0.973
59 HB2 SER 12 1HB SER 12 -9.164 -6.793 3.237
60 HB3 SER 12 2HB SER 12 -10.603 -7.735 2.847
61 HG SER 12 HG SER 12 -9.254 -9.501 2.393
62 H HIS 13 H HIS 13 -8.472 -5.047 0.148
63 HA HIS 13 HA HIS 13 -6.034 -5.891 -0.865
64 HB2 HIS 13 1HB HIS 13 -6.501 -3.145 0.294
65 HB3 HIS 13 2HB HIS 13 -5.432 -3.590 -1.032
66 HD1 HIS 13 HD1 HIS 13 -6.595 -4.181 -3.325
67 HD2 HIS 13 HD2 HIS 13 -9.111 -2.609 -0.417
68 HE1 HIS 13 HE1 HIS 13 -8.685 -3.494 -4.544
69 H THR 14 H THR 14 -4.048 -6.250 -0.048
70 HA THR 14 HA THR 14 -3.630 -5.708 2.820
71 HB THR 14 HB THR 14 -2.720 -8.139 1.268
72 HG1 THR 14 HG1 THR 14 -4.305 -8.180 3.599
73 HG21 THR 14 3HG2 THR 14 -1.675 -6.907 3.663
74 HG22 THR 14 1HG2 THR 14 -1.061 -8.288 2.754
75 HG23 THR 14 2HG2 THR 14 -2.287 -8.527 4.000
76 H CYS 15 H CYS 15 -1.686 -4.871 3.420
77 HA CYS 15 HA CYS 15 -0.048 -3.742 1.339
78 HB2 CYS 15 1HB CYS 15 -0.602 -2.504 3.422
79 HB3 CYS 15 2HB CYS 15 0.346 -3.672 4.338
80 H ASP 16 H ASP 16 1.424 -4.937 0.336
81 HA ASP 16 HA ASP 16 2.534 -7.316 1.416
82 HB2 ASP 16 1HB ASP 16 3.296 -5.652 -0.988
83 HB3 ASP 16 2HB ASP 16 4.050 -7.194 -0.592
84 H GLU 17 H GLU 17 3.291 -4.041 1.837
85 HA GLU 17 HA GLU 17 6.105 -4.278 2.226
86 HB2 GLU 17 1HB GLU 17 4.322 -2.156 3.412
87 HB3 GLU 17 2HB GLU 17 6.032 -2.034 3.023
88 HG2 GLU 17 1HG GLU 17 4.074 -2.591 0.848
89 HG3 GLU 17 2HG GLU 17 4.237 -0.952 1.476
90 H CYS 18 H CYS 18 3.313 -4.207 4.412
91 HA CYS 18 HA CYS 18 5.059 -5.276 6.533
92 HB2 CYS 18 1HB CYS 18 3.625 -4.134 8.178
93 HB3 CYS 18 2HB CYS 18 4.383 -2.991 7.074
94 H GLY 19 H GLY 19 1.779 -5.198 5.196
95 HA2 GLY 19 1HA GLY 19 0.751 -7.413 4.821
96 HA3 GLY 19 2HA GLY 19 1.334 -7.852 6.420
97 H LYS 20 H LYS 20 0.118 -4.661 6.011
98 HA LYS 20 HA LYS 20 -1.936 -5.086 7.939
99 HB2 LYS 20 1HB LYS 20 -1.000 -2.778 6.290
100 HB3 LYS 20 2HB LYS 20 -2.581 -2.677 7.055
101 HG2 LYS 20 1HG LYS 20 -0.188 -3.445 8.667
102 HG3 LYS 20 2HG LYS 20 -0.497 -1.751 8.281
103 HD2 LYS 20 1HD LYS 20 -2.503 -1.722 9.472
104 HD3 LYS 20 2HD LYS 20 -2.645 -3.481 9.459
105 HE2 LYS 20 1HE LYS 20 -1.050 -3.744 11.131
106 HE3 LYS 20 2HE LYS 20 -0.357 -2.146 10.856
107 HZ1 LYS 20 3HZ LYS 20 -1.705 -2.335 12.912
108 HZ2 LYS 20 1HZ LYS 20 -3.075 -2.598 11.956
109 HZ3 LYS 20 2HZ LYS 20 -2.245 -1.128 11.857
110 H ASN 21 H ASN 21 -4.195 -4.027 7.366
111 HA ASN 21 HA ASN 21 -5.114 -5.124 4.796
112 HB2 ASN 21 1HB ASN 21 -5.628 -6.581 6.849
113 HB3 ASN 21 2HB ASN 21 -6.758 -5.312 7.315
114 HD21 ASN 21 1HD2 ASN 21 -5.888 -7.136 4.394
115 HD22 ASN 21 2HD2 ASN 21 -7.514 -7.459 3.909
116 H PHE 22 H PHE 22 -6.644 -3.952 3.721
117 HA PHE 22 HA PHE 22 -7.889 -1.672 5.048
118 HB2 PHE 22 1HB PHE 22 -6.350 -1.337 2.468
119 HB3 PHE 22 2HB PHE 22 -7.167 -0.077 3.387
120 HD1 PHE 22 HD2 PHE 22 -4.245 -2.278 3.237
121 HD2 PHE 22 HD1 PHE 22 -6.177 0.863 5.363
122 HE1 PHE 22 HE2 PHE 22 -2.165 -1.842 4.477
123 HE2 PHE 22 HE1 PHE 22 -4.100 1.304 6.605
124 HZ PHE 22 HZ PHE 22 -2.090 -0.050 6.164
125 H CYS 23 H CYS 23 -9.980 -1.970 4.674
126 HA CYS 23 HA CYS 23 -11.182 -3.607 2.852
127 HB2 CYS 23 1HB CYS 23 -12.138 -1.057 4.132
128 HB3 CYS 23 2HB CYS 23 -13.175 -1.977 3.049
129 HG CYS 23 HG CYS 23 -11.744 -3.635 5.631
130 H TYR 24 H TYR 24 -10.417 -0.169 2.408
131 HA TYR 24 HA TYR 24 -11.012 -0.474 -0.458
132 HB2 TYR 24 1HB TYR 24 -10.808 2.179 -0.213
133 HB3 TYR 24 2HB TYR 24 -12.310 1.319 0.105
134 HD1 TYR 24 HD2 TYR 24 -12.876 0.733 2.506
135 HD2 TYR 24 HD1 TYR 24 -9.754 3.434 1.474
136 HE1 TYR 24 HE2 TYR 24 -12.920 1.648 4.789
137 HE2 TYR 24 HE1 TYR 24 -9.789 4.355 3.754
138 HH TYR 24 HH TYR 24 -11.924 3.011 6.246
139 H ILE 25 H ILE 25 -9.433 -0.269 -1.923
140 HA ILE 25 HA ILE 25 -6.757 -0.457 -1.304
141 HB ILE 25 HB ILE 25 -7.858 -0.850 -3.559
142 HG12 ILE 25 1HG1 ILE 25 -5.761 -0.051 -4.806
143 HG13 ILE 25 2HG1 ILE 25 -5.228 0.591 -3.256
144 HG21 ILE 25 1HG2 ILE 25 -7.851 1.029 -5.130
145 HG22 ILE 25 2HG2 ILE 25 -8.951 1.312 -3.782
146 HG23 ILE 25 3HG2 ILE 25 -7.382 2.116 -3.822
147 HD11 ILE 25 3HD1 ILE 25 -4.301 -1.398 -2.931
148 HD12 ILE 25 1HD1 ILE 25 -5.937 -1.991 -2.649
149 HD13 ILE 25 2HD1 ILE 25 -5.212 -2.132 -4.251
150 H SER 26 H SER 26 -8.689 2.440 -1.830
151 HA SER 26 HA SER 26 -6.732 4.366 -2.055
152 HB2 SER 26 1HB SER 26 -8.388 5.910 -1.646
153 HB3 SER 26 2HB SER 26 -9.389 4.495 -1.972
154 HG SER 26 HG SER 26 -10.164 5.226 -0.087
155 H ALA 27 H ALA 27 -8.030 2.894 0.891
156 HA ALA 27 HA ALA 27 -6.658 4.489 2.747
157 HB1 ALA 27 3HB ALA 27 -8.343 2.204 2.813
158 HB2 ALA 27 1HB ALA 27 -6.924 1.873 3.807
159 HB3 ALA 27 2HB ALA 27 -7.915 3.296 4.130
160 H LEU 28 H LEU 28 -5.803 1.315 1.377
161 HA LEU 28 HA LEU 28 -3.431 0.867 2.709
162 HB2 LEU 28 1HB LEU 28 -4.121 -0.905 1.416
163 HB3 LEU 28 2HB LEU 28 -4.461 0.112 0.017
164 HG LEU 28 HG LEU 28 -1.935 0.371 -0.206
165 HD11 LEU 28 1HD1 LEU 28 -2.042 -1.179 2.181
166 HD12 LEU 28 2HD1 LEU 28 -0.634 -0.523 1.347
167 HD13 LEU 28 3HD1 LEU 28 -1.243 -2.123 0.923
168 HD21 LEU 28 3HD2 LEU 28 -2.658 -0.932 -1.894
169 HD22 LEU 28 1HD2 LEU 28 -3.629 -1.952 -0.833
170 HD23 LEU 28 2HD2 LEU 28 -1.891 -2.221 -0.965
171 H ARG 29 H ARG 29 -3.920 2.671 -0.313
172 HA ARG 29 HA ARG 29 -1.264 3.285 -0.861
173 HB2 ARG 29 1HB ARG 29 -3.634 5.089 -1.372
174 HB3 ARG 29 2HB ARG 29 -2.102 5.088 -2.235
175 HG2 ARG 29 1HG ARG 29 -4.008 2.760 -2.203
176 HG3 ARG 29 2HG ARG 29 -3.989 4.008 -3.450
177 HD2 ARG 29 1HD ARG 29 -1.753 2.114 -2.743
178 HD3 ARG 29 2HD ARG 29 -2.731 2.096 -4.210
179 HE ARG 29 HE ARG 29 -1.575 4.586 -4.131
180 HH11 ARG 29 1HH1 ARG 29 -0.448 1.293 -4.173
181 HH12 ARG 29 2HH1 ARG 29 1.027 1.671 -5.001
182 HH21 ARG 29 1HH2 ARG 29 0.363 5.096 -5.221
183 HH22 ARG 29 2HH2 ARG 29 1.487 3.835 -5.595
184 H ILE 30 H ILE 30 -3.605 4.995 1.173
185 HA ILE 30 HA ILE 30 -1.962 7.202 1.789
186 HB ILE 30 HB ILE 30 -4.220 5.998 3.393
187 HG12 ILE 30 1HG1 ILE 30 -4.324 8.471 1.680
188 HG13 ILE 30 2HG1 ILE 30 -4.624 6.875 1.000
189 HG21 ILE 30 1HG2 ILE 30 -2.636 8.518 3.717
190 HG22 ILE 30 2HG2 ILE 30 -4.305 8.421 4.276
191 HG23 ILE 30 3HG2 ILE 30 -3.091 7.323 4.932
192 HD11 ILE 30 3HD1 ILE 30 -6.731 7.046 1.630
193 HD12 ILE 30 1HD1 ILE 30 -6.207 7.078 3.314
194 HD13 ILE 30 2HD1 ILE 30 -6.399 8.587 2.421
195 H HIS 31 H HIS 31 -2.373 4.044 3.302
196 HA HIS 31 HA HIS 31 -0.772 4.620 5.587
197 HB2 HIS 31 1HB HIS 31 -2.150 2.824 6.001
198 HB3 HIS 31 2HB HIS 31 -1.969 2.172 4.375
199 HD1 HIS 31 HD1 HIS 31 -0.040 2.430 7.625
200 HD2 HIS 31 HD2 HIS 31 -0.147 0.152 4.152
201 HE1 HIS 31 HE1 HIS 31 1.574 0.540 8.011
202 H GLN 32 H GLN 32 -0.149 3.072 2.466
203 HA GLN 32 HA GLN 32 2.390 2.101 2.848
204 HB2 GLN 32 1HB GLN 32 1.081 3.347 0.445
205 HB3 GLN 32 2HB GLN 32 2.732 2.744 0.371
206 HG2 GLN 32 1HG GLN 32 1.764 0.549 1.268
207 HG3 GLN 32 2HG GLN 32 0.196 1.218 0.818
208 HE21 GLN 32 1HE2 GLN 32 0.176 2.144 -1.473
209 HE22 GLN 32 2HE2 GLN 32 0.906 1.158 -2.690
210 H ARG 33 H ARG 33 1.364 5.379 2.810
211 HA ARG 33 HA ARG 33 3.644 6.732 1.998
212 HB2 ARG 33 1HB ARG 33 1.635 7.466 4.132
213 HB3 ARG 33 2HB ARG 33 2.848 8.572 3.500
214 HG2 ARG 33 1HG ARG 33 1.872 8.413 1.284
215 HG3 ARG 33 2HG ARG 33 0.685 7.249 1.876
216 HD2 ARG 33 1HD ARG 33 -0.518 8.837 2.997
217 HD3 ARG 33 2HD ARG 33 0.888 9.866 3.266
218 HE ARG 33 HE ARG 33 0.506 9.979 0.579
219 HH11 ARG 33 1HH1 ARG 33 -1.528 10.551 3.346
220 HH12 ARG 33 2HH1 ARG 33 -2.503 11.739 2.548
221 HH21 ARG 33 1HH2 ARG 33 -0.771 11.542 -0.484
222 HH22 ARG 33 2HH2 ARG 33 -2.073 12.301 0.369
223 H VAL 34 H VAL 34 3.110 4.854 4.827
224 HA VAL 34 HA VAL 34 5.188 6.048 6.411
225 HB VAL 34 HB VAL 34 4.812 4.284 7.991
226 HG11 VAL 34 1HG1 VAL 34 3.066 6.108 7.643
227 HG12 VAL 34 2HG1 VAL 34 2.093 4.866 6.853
228 HG13 VAL 34 3HG1 VAL 34 2.563 4.677 8.543
229 HG21 VAL 34 3HG2 VAL 34 4.156 2.214 7.468
230 HG22 VAL 34 1HG2 VAL 34 2.773 2.801 6.543
231 HG23 VAL 34 2HG2 VAL 34 4.360 2.692 5.783
232 H HIS 35 H HIS 35 5.013 3.633 3.959
233 HA HIS 35 HA HIS 35 7.569 2.443 4.663
234 HB2 HIS 35 1HB HIS 35 5.628 1.934 2.405
235 HB3 HIS 35 2HB HIS 35 7.170 1.098 2.561
236 HD1 HIS 35 HD1 HIS 35 7.433 -0.444 4.722
237 HD2 HIS 35 HD2 HIS 35 3.586 0.903 3.915
238 HE1 HIS 35 HE1 HIS 35 5.907 -1.912 6.081
239 H MET 36 H MET 36 7.100 5.320 3.686
240 HA MET 36 HA MET 36 8.907 5.270 1.368
241 HB2 MET 36 1HB MET 36 7.145 7.500 2.399
242 HB3 MET 36 2HB MET 36 8.176 7.594 0.978
243 HG2 MET 36 1HG MET 36 6.823 5.549 0.160
244 HG3 MET 36 2HG MET 36 5.656 6.047 1.383
245 HE1 MET 36 3HE MET 36 4.688 9.629 0.224
246 HE2 MET 36 1HE MET 36 4.779 8.489 1.566
247 HE3 MET 36 2HE MET 36 6.207 9.410 1.093
248 H GLY 37 H GLY 37 10.445 7.189 1.279
249 HA2 GLY 37 1HA GLY 37 11.333 8.176 3.863
250 HA3 GLY 37 2HA GLY 37 12.436 7.063 3.068
251 H GLU 38 H GLU 38 11.955 7.905 0.395
252 HA GLU 38 HA GLU 38 12.958 10.673 0.455
253 HB2 GLU 38 1HB GLU 38 14.660 8.726 0.013
254 HB3 GLU 38 2HB GLU 38 13.947 8.727 -1.593
255 HG2 GLU 38 1HG GLU 38 15.277 11.061 -0.239
256 HG3 GLU 38 2HG GLU 38 15.954 10.079 -1.536
257 H LYS 39 H LYS 39 11.606 8.127 -1.628
258 HA LYS 39 HA LYS 39 10.770 9.894 -3.682
259 HB2 LYS 39 1HB LYS 39 10.260 7.042 -2.979
260 HB3 LYS 39 2HB LYS 39 9.165 7.817 -4.116
261 HG2 LYS 39 1HG LYS 39 10.778 6.808 -5.458
262 HG3 LYS 39 2HG LYS 39 11.262 8.504 -5.399
263 HD2 LYS 39 1HD LYS 39 13.066 8.075 -4.012
264 HD3 LYS 39 2HD LYS 39 12.376 6.565 -3.412
265 HE2 LYS 39 1HE LYS 39 14.165 5.959 -4.837
266 HE3 LYS 39 2HE LYS 39 12.684 5.641 -5.739
267 HZ1 LYS 39 3HZ LYS 39 14.737 7.668 -6.194
268 HZ2 LYS 39 1HZ LYS 39 13.139 8.089 -6.556
269 HZ3 LYS 39 2HZ LYS 39 13.853 6.755 -7.311
270 H CYS 40 H CYS 40 9.026 11.150 -3.840
271 HA CYS 40 HA CYS 40 6.519 10.563 -2.664
272 HB2 CYS 40 1HB CYS 40 7.917 11.309 -0.662
273 HB3 CYS 40 2HB CYS 40 7.916 12.911 -1.389
274 HG CYS 40 HG CYS 40 5.942 13.393 0.260
275 H SER 41 H SER 41 4.904 11.819 -3.513
276 HA SER 41 HA SER 41 5.690 13.578 -5.685
277 HB2 SER 41 1HB SER 41 3.942 11.903 -6.087
278 HB3 SER 41 2HB SER 41 2.951 12.620 -4.817
279 HG SER 41 HG SER 41 2.543 14.330 -6.072
280 H GLY 42 H GLY 42 6.061 15.650 -5.263
281 HA2 GLY 42 1HA GLY 42 5.947 17.722 -4.264
282 HA3 GLY 42 2HA GLY 42 4.212 17.483 -4.412
283 HA PRO 43 HA PRO 43 5.375 15.922 0.015
284 HB2 PRO 43 1HB PRO 43 7.925 16.363 0.836
285 HB3 PRO 43 2HB PRO 43 7.424 14.884 0.008
286 HG2 PRO 43 1HG PRO 43 8.793 17.304 -1.101
287 HG3 PRO 43 2HG PRO 43 9.122 15.590 -1.415
288 HD2 PRO 43 1HD PRO 43 7.708 17.140 -3.127
289 HD3 PRO 43 2HD PRO 43 7.390 15.405 -2.925
290 H SER 44 H SER 44 5.189 17.100 1.926
291 HA SER 44 HA SER 44 6.043 19.894 1.921
292 HB2 SER 44 1HB SER 44 3.809 20.674 2.609
293 HB3 SER 44 2HB SER 44 3.764 19.936 1.008
294 HG SER 44 HG SER 44 3.087 17.974 2.134
295 H SER 45 H SER 45 6.399 20.754 3.947
296 HA SER 45 HA SER 45 6.462 18.796 6.120
297 HB2 SER 45 1HB SER 45 8.077 20.231 7.183
298 HB3 SER 45 2HB SER 45 8.537 20.070 5.488
299 HG SER 45 HG SER 45 8.634 22.240 6.165
300 H GLY 46 H GLY 46 4.891 18.798 7.576
301 HA2 GLY 46 1HA GLY 46 4.053 20.695 9.256
302 HA3 GLY 46 2HA GLY 46 3.135 21.107 7.815
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -0.068 -20.629 -20.143
2 HA2 GLY 1 1HA GLY 1 0.316 -18.482 -18.649
3 HA3 GLY 1 2HA GLY 1 0.126 -17.715 -20.218
4 H SER 2 H SER 2 -1.652 -16.754 -18.739
5 HA SER 2 HA SER 2 -4.130 -18.123 -19.451
6 HB2 SER 2 1HB SER 2 -3.197 -17.584 -16.673
7 HB3 SER 2 2HB SER 2 -4.905 -17.324 -17.024
8 HG SER 2 HG SER 2 -3.499 -19.660 -16.800
9 H SER 3 H SER 3 -6.034 -16.709 -19.236
10 HA SER 3 HA SER 3 -5.399 -14.054 -20.167
11 HB2 SER 3 1HB SER 3 -7.961 -15.604 -19.843
12 HB3 SER 3 2HB SER 3 -7.971 -13.891 -20.258
13 HG SER 3 HG SER 3 -6.314 -14.782 -21.933
14 H GLY 4 H GLY 4 -6.580 -12.142 -19.293
15 HA2 GLY 4 1HA GLY 4 -6.161 -12.007 -16.437
16 HA3 GLY 4 2HA GLY 4 -6.605 -10.675 -17.494
17 H SER 5 H SER 5 -7.704 -12.977 -15.237
18 HA SER 5 HA SER 5 -10.482 -12.102 -15.687
19 HB2 SER 5 1HB SER 5 -10.244 -14.475 -16.235
20 HB3 SER 5 2HB SER 5 -9.527 -14.784 -14.653
21 HG SER 5 HG SER 5 -12.072 -13.599 -14.859
22 H SER 6 H SER 6 -8.165 -13.251 -13.253
23 HA SER 6 HA SER 6 -9.613 -12.771 -10.956
24 HB2 SER 6 1HB SER 6 -6.648 -12.255 -11.274
25 HB3 SER 6 2HB SER 6 -7.500 -12.654 -9.783
26 HG SER 6 HG SER 6 -6.514 -14.499 -10.639
27 H GLY 7 H GLY 7 -10.306 -11.019 -9.894
28 HA2 GLY 7 1HA GLY 7 -9.071 -8.555 -9.677
29 HA3 GLY 7 2HA GLY 7 -10.103 -8.445 -11.095
30 H SER 8 H SER 8 -10.205 -9.437 -7.679
31 HA SER 8 HA SER 8 -12.996 -8.509 -7.583
32 HB2 SER 8 1HB SER 8 -12.623 -10.886 -6.972
33 HB3 SER 8 2HB SER 8 -11.562 -10.362 -5.665
34 HG SER 8 HG SER 8 -14.334 -9.833 -5.951
35 H GLY 9 H GLY 9 -13.558 -6.847 -6.301
36 HA2 GLY 9 1HA GLY 9 -11.419 -5.416 -4.940
37 HA3 GLY 9 2HA GLY 9 -13.043 -4.819 -5.246
38 H GLU 10 H GLU 10 -14.632 -6.704 -4.107
39 HA GLU 10 HA GLU 10 -14.977 -6.029 -1.549
40 HB2 GLU 10 1HB GLU 10 -16.033 -8.193 -1.131
41 HB3 GLU 10 2HB GLU 10 -16.450 -7.591 -2.729
42 HG2 GLU 10 1HG GLU 10 -15.991 -9.748 -3.252
43 HG3 GLU 10 2HG GLU 10 -14.379 -9.061 -3.440
44 H LYS 11 H LYS 11 -12.696 -8.510 -2.636
45 HA LYS 11 HA LYS 11 -11.827 -9.506 -0.221
46 HB2 LYS 11 1HB LYS 11 -11.129 -10.084 -2.666
47 HB3 LYS 11 2HB LYS 11 -9.853 -8.905 -2.399
48 HG2 LYS 11 1HG LYS 11 -9.394 -10.302 -0.249
49 HG3 LYS 11 2HG LYS 11 -10.278 -11.561 -1.114
50 HD2 LYS 11 1HD LYS 11 -8.086 -10.099 -2.515
51 HD3 LYS 11 2HD LYS 11 -7.671 -11.351 -1.342
52 HE2 LYS 11 1HE LYS 11 -7.762 -12.476 -3.393
53 HE3 LYS 11 2HE LYS 11 -9.305 -12.841 -2.621
54 HZ1 LYS 11 3HZ LYS 11 -10.223 -12.129 -4.501
55 HZ2 LYS 11 1HZ LYS 11 -8.781 -11.444 -5.061
56 HZ3 LYS 11 2HZ LYS 11 -9.792 -10.562 -4.032
57 H SER 12 H SER 12 -10.946 -8.607 1.511
58 HA SER 12 HA SER 12 -10.226 -5.891 1.651
59 HB2 SER 12 1HB SER 12 -9.448 -6.396 3.914
60 HB3 SER 12 2HB SER 12 -10.983 -7.207 3.603
61 HG SER 12 HG SER 12 -8.415 -8.404 3.408
62 H HIS 13 H HIS 13 -8.496 -4.953 0.811
63 HA HIS 13 HA HIS 13 -6.261 -6.338 -0.191
64 HB2 HIS 13 1HB HIS 13 -6.448 -3.408 0.538
65 HB3 HIS 13 2HB HIS 13 -5.274 -4.139 -0.552
66 HD1 HIS 13 HD1 HIS 13 -6.066 -4.724 -2.928
67 HD2 HIS 13 HD2 HIS 13 -9.022 -3.055 -0.533
68 HE1 HIS 13 HE1 HIS 13 -7.948 -4.142 -4.490
69 H THR 14 H THR 14 -4.140 -6.500 0.551
70 HA THR 14 HA THR 14 -3.709 -5.843 3.389
71 HB THR 14 HB THR 14 -2.876 -8.413 2.026
72 HG1 THR 14 HG1 THR 14 -5.173 -7.956 2.877
73 HG21 THR 14 3HG2 THR 14 -1.515 -7.168 4.010
74 HG22 THR 14 1HG2 THR 14 -1.574 -8.918 3.802
75 HG23 THR 14 2HG2 THR 14 -2.657 -8.129 4.950
76 H CYS 15 H CYS 15 -1.891 -4.754 3.779
77 HA CYS 15 HA CYS 15 -0.189 -3.921 1.681
78 HB2 CYS 15 1HB CYS 15 -0.685 -2.687 3.850
79 HB3 CYS 15 2HB CYS 15 0.457 -3.780 4.626
80 H ASP 16 H ASP 16 1.235 -5.173 0.682
81 HA ASP 16 HA ASP 16 2.286 -7.564 1.820
82 HB2 ASP 16 1HB ASP 16 3.877 -7.236 -0.299
83 HB3 ASP 16 2HB ASP 16 2.213 -7.793 -0.454
84 H GLU 17 H GLU 17 3.250 -4.275 1.877
85 HA GLU 17 HA GLU 17 6.038 -4.608 2.217
86 HB2 GLU 17 1HB GLU 17 4.146 -2.399 3.015
87 HB3 GLU 17 2HB GLU 17 5.880 -2.309 3.290
88 HG2 GLU 17 1HG GLU 17 4.923 -2.932 0.549
89 HG3 GLU 17 2HG GLU 17 4.759 -1.281 1.142
90 H CYS 18 H CYS 18 3.411 -4.152 4.575
91 HA CYS 18 HA CYS 18 5.221 -5.188 6.657
92 HB2 CYS 18 1HB CYS 18 3.765 -3.981 8.278
93 HB3 CYS 18 2HB CYS 18 4.581 -2.910 7.145
94 H GLY 19 H GLY 19 1.883 -5.209 5.465
95 HA2 GLY 19 1HA GLY 19 0.913 -7.496 5.267
96 HA3 GLY 19 2HA GLY 19 1.494 -7.762 6.904
97 H LYS 20 H LYS 20 0.365 -4.614 6.448
98 HA LYS 20 HA LYS 20 -1.720 -4.884 8.311
99 HB2 LYS 20 1HB LYS 20 -0.818 -2.743 6.439
100 HB3 LYS 20 2HB LYS 20 -2.406 -2.584 7.179
101 HG2 LYS 20 1HG LYS 20 -0.102 -3.205 8.944
102 HG3 LYS 20 2HG LYS 20 -0.243 -1.571 8.292
103 HD2 LYS 20 1HD LYS 20 -2.566 -1.482 9.171
104 HD3 LYS 20 2HD LYS 20 -2.300 -3.057 9.924
105 HE2 LYS 20 1HE LYS 20 -0.451 -0.760 10.459
106 HE3 LYS 20 2HE LYS 20 -1.970 -0.920 11.339
107 HZ1 LYS 20 3HZ LYS 20 -1.223 -3.206 11.947
108 HZ2 LYS 20 1HZ LYS 20 -0.290 -1.963 12.616
109 HZ3 LYS 20 2HZ LYS 20 0.292 -2.836 11.290
110 H ASN 21 H ASN 21 -3.994 -3.881 7.637
111 HA ASN 21 HA ASN 21 -4.927 -5.245 5.205
112 HB2 ASN 21 1HB ASN 21 -5.385 -6.388 7.550
113 HB3 ASN 21 2HB ASN 21 -6.691 -5.209 7.615
114 HD21 ASN 21 1HD2 ASN 21 -5.258 -7.415 5.227
115 HD22 ASN 21 2HD2 ASN 21 -6.763 -8.043 4.657
116 H PHE 22 H PHE 22 -6.633 -4.275 4.123
117 HA PHE 22 HA PHE 22 -7.895 -1.913 5.226
118 HB2 PHE 22 1HB PHE 22 -6.276 -1.697 2.681
119 HB3 PHE 22 2HB PHE 22 -7.197 -0.411 3.455
120 HD1 PHE 22 HD2 PHE 22 -4.157 -2.438 3.592
121 HD2 PHE 22 HD1 PHE 22 -6.363 0.712 5.416
122 HE1 PHE 22 HE2 PHE 22 -2.164 -1.795 4.883
123 HE2 PHE 22 HE1 PHE 22 -4.373 1.361 6.710
124 HZ PHE 22 HZ PHE 22 -2.270 0.106 6.446
125 H CYS 23 H CYS 23 -9.965 -2.294 4.818
126 HA CYS 23 HA CYS 23 -11.009 -4.082 2.991
127 HB2 CYS 23 1HB CYS 23 -12.177 -2.896 4.940
128 HB3 CYS 23 2HB CYS 23 -12.465 -1.576 3.814
129 HG CYS 23 HG CYS 23 -13.988 -4.546 4.058
130 H TYR 24 H TYR 24 -10.443 -0.608 2.603
131 HA TYR 24 HA TYR 24 -11.104 -0.871 -0.252
132 HB2 TYR 24 1HB TYR 24 -10.961 1.779 0.039
133 HB3 TYR 24 2HB TYR 24 -12.429 0.876 0.395
134 HD1 TYR 24 HD2 TYR 24 -12.788 0.142 2.838
135 HD2 TYR 24 HD1 TYR 24 -9.982 3.122 1.677
136 HE1 TYR 24 HE2 TYR 24 -12.772 1.014 5.138
137 HE2 TYR 24 HE1 TYR 24 -9.957 4.002 3.973
138 HH TYR 24 HH TYR 24 -11.855 2.465 6.550
139 H ILE 25 H ILE 25 -9.527 -0.762 -1.706
140 HA ILE 25 HA ILE 25 -6.847 -0.826 -1.164
141 HB ILE 25 HB ILE 25 -7.970 -1.279 -3.387
142 HG12 ILE 25 1HG1 ILE 25 -5.961 -0.515 -4.702
143 HG13 ILE 25 2HG1 ILE 25 -5.434 0.363 -3.270
144 HG21 ILE 25 1HG2 ILE 25 -9.130 0.916 -3.500
145 HG22 ILE 25 2HG2 ILE 25 -7.569 1.679 -3.799
146 HG23 ILE 25 3HG2 ILE 25 -8.220 0.519 -4.957
147 HD11 ILE 25 3HD1 ILE 25 -5.174 -2.437 -3.926
148 HD12 ILE 25 1HD1 ILE 25 -4.343 -1.478 -2.701
149 HD13 ILE 25 2HD1 ILE 25 -5.915 -2.195 -2.344
150 H SER 26 H SER 26 -8.754 2.051 -2.022
151 HA SER 26 HA SER 26 -6.886 3.995 -2.190
152 HB2 SER 26 1HB SER 26 -9.612 4.003 -0.932
153 HB3 SER 26 2HB SER 26 -8.619 5.460 -0.896
154 HG SER 26 HG SER 26 -8.429 4.812 -3.321
155 H ALA 27 H ALA 27 -8.128 2.607 0.824
156 HA ALA 27 HA ALA 27 -6.744 4.270 2.606
157 HB1 ALA 27 3HB ALA 27 -6.952 1.707 3.775
158 HB2 ALA 27 1HB ALA 27 -7.990 3.111 4.027
159 HB3 ALA 27 2HB ALA 27 -8.379 1.941 2.765
160 H LEU 28 H LEU 28 -5.885 1.013 1.433
161 HA LEU 28 HA LEU 28 -3.478 0.678 2.708
162 HB2 LEU 28 1HB LEU 28 -4.183 -1.168 1.527
163 HB3 LEU 28 2HB LEU 28 -4.544 -0.232 0.078
164 HG LEU 28 HG LEU 28 -2.074 0.002 -0.279
165 HD11 LEU 28 1HD1 LEU 28 -0.923 -2.064 0.983
166 HD12 LEU 28 2HD1 LEU 28 -2.078 -1.568 2.220
167 HD13 LEU 28 3HD1 LEU 28 -0.897 -0.413 1.602
168 HD21 LEU 28 3HD2 LEU 28 -3.748 -2.337 -0.612
169 HD22 LEU 28 1HD2 LEU 28 -2.038 -2.758 -0.527
170 HD23 LEU 28 2HD2 LEU 28 -2.601 -1.600 -1.732
171 H ARG 29 H ARG 29 -4.050 2.309 -0.396
172 HA ARG 29 HA ARG 29 -1.414 2.919 -1.035
173 HB2 ARG 29 1HB ARG 29 -3.812 4.673 -1.589
174 HB3 ARG 29 2HB ARG 29 -2.301 4.632 -2.488
175 HG2 ARG 29 1HG ARG 29 -4.206 2.312 -2.282
176 HG3 ARG 29 2HG ARG 29 -4.190 3.477 -3.608
177 HD2 ARG 29 1HD ARG 29 -1.961 1.615 -2.801
178 HD3 ARG 29 2HD ARG 29 -2.953 1.510 -4.254
179 HE ARG 29 HE ARG 29 -0.671 3.186 -3.843
180 HH11 ARG 29 1HH1 ARG 29 -3.688 2.884 -5.554
181 HH12 ARG 29 2HH1 ARG 29 -3.198 3.909 -6.863
182 HH21 ARG 29 1HH2 ARG 29 -0.015 4.536 -5.561
183 HH22 ARG 29 2HH2 ARG 29 -1.108 4.847 -6.866
184 H ILE 30 H ILE 30 -3.733 4.723 0.945
185 HA ILE 30 HA ILE 30 -2.105 6.975 1.407
186 HB ILE 30 HB ILE 30 -4.326 5.820 3.094
187 HG12 ILE 30 1HG1 ILE 30 -4.333 8.167 1.186
188 HG13 ILE 30 2HG1 ILE 30 -4.917 6.558 0.779
189 HG21 ILE 30 1HG2 ILE 30 -4.414 7.962 4.223
190 HG22 ILE 30 2HG2 ILE 30 -2.814 7.247 4.410
191 HG23 ILE 30 3HG2 ILE 30 -3.065 8.555 3.254
192 HD11 ILE 30 3HD1 ILE 30 -6.064 8.524 2.726
193 HD12 ILE 30 1HD1 ILE 30 -6.825 7.793 1.313
194 HD13 ILE 30 2HD1 ILE 30 -6.504 6.816 2.746
195 H HIS 31 H HIS 31 -2.438 3.902 3.104
196 HA HIS 31 HA HIS 31 -0.796 4.614 5.316
197 HB2 HIS 31 1HB HIS 31 -2.127 2.809 5.838
198 HB3 HIS 31 2HB HIS 31 -1.957 2.084 4.242
199 HD1 HIS 31 HD1 HIS 31 -0.080 2.466 7.497
200 HD2 HIS 31 HD2 HIS 31 0.009 0.178 4.030
201 HE1 HIS 31 HE1 HIS 31 1.610 0.655 7.930
202 H GLN 32 H GLN 32 -0.196 2.782 2.332
203 HA GLN 32 HA GLN 32 2.353 1.921 2.670
204 HB2 GLN 32 1HB GLN 32 1.010 3.093 0.248
205 HB3 GLN 32 2HB GLN 32 2.661 2.491 0.173
206 HG2 GLN 32 1HG GLN 32 1.611 0.345 1.229
207 HG3 GLN 32 2HG GLN 32 0.115 1.000 0.565
208 HE21 GLN 32 1HE2 GLN 32 0.415 1.798 -1.780
209 HE22 GLN 32 2HE2 GLN 32 1.228 0.698 -2.834
210 H ARG 33 H ARG 33 1.307 5.221 2.251
211 HA ARG 33 HA ARG 33 3.556 6.546 1.464
212 HB2 ARG 33 1HB ARG 33 1.649 7.374 3.661
213 HB3 ARG 33 2HB ARG 33 2.780 8.449 2.848
214 HG2 ARG 33 1HG ARG 33 1.628 7.947 0.705
215 HG3 ARG 33 2HG ARG 33 0.435 7.020 1.618
216 HD2 ARG 33 1HD ARG 33 0.982 9.971 1.692
217 HD3 ARG 33 2HD ARG 33 -0.531 9.140 1.336
218 HE ARG 33 HE ARG 33 -0.062 8.401 3.873
219 HH11 ARG 33 1HH1 ARG 33 -0.031 11.507 2.301
220 HH12 ARG 33 2HH1 ARG 33 -0.515 12.375 3.720
221 HH21 ARG 33 1HH2 ARG 33 -0.700 9.533 5.748
222 HH22 ARG 33 2HH2 ARG 33 -0.895 11.252 5.680
223 H VAL 34 H VAL 34 2.866 5.256 4.678
224 HA VAL 34 HA VAL 34 5.024 6.370 6.060
225 HB VAL 34 HB VAL 34 4.686 4.718 7.738
226 HG11 VAL 34 1HG1 VAL 34 1.919 4.841 6.653
227 HG12 VAL 34 2HG1 VAL 34 2.511 5.166 8.283
228 HG13 VAL 34 3HG1 VAL 34 2.751 6.356 7.003
229 HG21 VAL 34 3HG2 VAL 34 3.249 2.708 7.293
230 HG22 VAL 34 1HG2 VAL 34 3.352 3.099 5.576
231 HG23 VAL 34 2HG2 VAL 34 4.813 2.698 6.479
232 H HIS 35 H HIS 35 4.825 3.543 3.987
233 HA HIS 35 HA HIS 35 7.406 2.520 4.656
234 HB2 HIS 35 1HB HIS 35 5.492 1.983 2.389
235 HB3 HIS 35 2HB HIS 35 7.065 1.198 2.492
236 HD1 HIS 35 HD1 HIS 35 7.437 -0.266 4.743
237 HD2 HIS 35 HD2 HIS 35 3.520 0.752 3.803
238 HE1 HIS 35 HE1 HIS 35 5.996 -1.835 6.079
239 H MET 36 H MET 36 6.168 4.779 2.288
240 HA MET 36 HA MET 36 8.307 4.859 0.507
241 HB2 MET 36 1HB MET 36 6.245 6.861 1.355
242 HB3 MET 36 2HB MET 36 7.547 7.354 0.281
243 HG2 MET 36 1HG MET 36 5.545 6.743 -0.957
244 HG3 MET 36 2HG MET 36 6.890 5.668 -1.331
245 HE1 MET 36 3HE MET 36 3.800 5.632 -1.752
246 HE2 MET 36 1HE MET 36 4.242 4.002 -2.262
247 HE3 MET 36 2HE MET 36 2.987 4.235 -1.044
248 H GLY 37 H GLY 37 10.323 5.649 0.590
249 HA2 GLY 37 1HA GLY 37 12.077 7.033 1.269
250 HA3 GLY 37 2HA GLY 37 11.039 7.695 2.523
251 H GLU 38 H GLU 38 13.205 5.088 1.662
252 HA GLU 38 HA GLU 38 13.852 4.697 4.452
253 HB2 GLU 38 1HB GLU 38 12.420 2.633 2.824
254 HB3 GLU 38 2HB GLU 38 13.592 2.120 4.029
255 HG2 GLU 38 1HG GLU 38 11.168 3.825 4.549
256 HG3 GLU 38 2HG GLU 38 11.324 2.108 4.914
257 H LYS 39 H LYS 39 15.832 3.618 4.777
258 HA LYS 39 HA LYS 39 18.062 3.448 4.229
259 HB2 LYS 39 1HB LYS 39 16.989 1.182 3.841
260 HB3 LYS 39 2HB LYS 39 16.978 1.573 2.126
261 HG2 LYS 39 1HG LYS 39 19.467 1.900 2.296
262 HG3 LYS 39 2HG LYS 39 19.363 1.214 3.919
263 HD2 LYS 39 1HD LYS 39 18.387 -0.832 2.985
264 HD3 LYS 39 2HD LYS 39 18.502 -0.143 1.363
265 HE2 LYS 39 1HE LYS 39 21.001 0.110 1.851
266 HE3 LYS 39 2HE LYS 39 20.719 -0.972 3.214
267 HZ1 LYS 39 3HZ LYS 39 20.779 -1.550 0.375
268 HZ2 LYS 39 1HZ LYS 39 19.538 -2.315 1.234
269 HZ3 LYS 39 2HZ LYS 39 21.150 -2.544 1.692
270 H CYS 40 H CYS 40 17.006 5.706 3.003
271 HA CYS 40 HA CYS 40 17.134 7.069 1.140
272 HB2 CYS 40 1HB CYS 40 19.426 7.617 0.637
273 HB3 CYS 40 2HB CYS 40 19.310 7.249 2.354
274 HG CYS 40 HG CYS 40 21.092 5.402 2.387
275 H SER 41 H SER 41 16.049 4.686 0.306
276 HA SER 41 HA SER 41 17.500 3.971 -2.141
277 HB2 SER 41 1HB SER 41 16.701 2.157 -0.588
278 HB3 SER 41 2HB SER 41 15.049 2.630 -0.982
279 HG SER 41 HG SER 41 16.764 2.141 -3.115
280 H GLY 42 H GLY 42 16.991 5.900 -3.282
281 HA2 GLY 42 1HA GLY 42 14.145 6.240 -3.964
282 HA3 GLY 42 2HA GLY 42 15.385 7.474 -4.142
283 HA PRO 43 HA PRO 43 15.707 4.230 -7.768
284 HB2 PRO 43 1HB PRO 43 13.316 3.114 -8.409
285 HB3 PRO 43 2HB PRO 43 14.453 2.368 -7.279
286 HG2 PRO 43 1HG PRO 43 12.011 4.002 -6.707
287 HG3 PRO 43 2HG PRO 43 12.569 2.513 -5.923
288 HD2 PRO 43 1HD PRO 43 12.944 4.963 -4.832
289 HD3 PRO 43 2HD PRO 43 14.094 3.630 -4.604
290 H SER 44 H SER 44 15.710 5.169 -9.721
291 HA SER 44 HA SER 44 13.745 7.280 -10.237
292 HB2 SER 44 1HB SER 44 16.364 6.699 -11.643
293 HB3 SER 44 2HB SER 44 15.328 8.100 -11.917
294 HG SER 44 HG SER 44 16.949 7.481 -9.711
295 H SER 45 H SER 45 12.595 7.406 -12.173
296 HA SER 45 HA SER 45 12.031 4.834 -13.384
297 HB2 SER 45 1HB SER 45 10.206 6.402 -12.721
298 HB3 SER 45 2HB SER 45 10.768 7.526 -13.958
299 HG SER 45 HG SER 45 9.518 6.435 -15.239
300 H GLY 46 H GLY 46 13.866 4.398 -14.621
301 HA2 GLY 46 1HA GLY 46 13.830 5.261 -17.281
302 HA3 GLY 46 2HA GLY 46 15.047 6.207 -16.436
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -12.880 -12.456 -21.079
2 HA2 GLY 1 1HA GLY 1 -14.544 -12.905 -19.512
3 HA3 GLY 1 2HA GLY 1 -14.658 -14.357 -20.495
4 H SER 2 H SER 2 -15.085 -15.906 -19.031
5 HA SER 2 HA SER 2 -14.211 -16.033 -16.403
6 HB2 SER 2 1HB SER 2 -14.986 -18.232 -18.324
7 HB3 SER 2 2HB SER 2 -14.659 -18.522 -16.616
8 HG SER 2 HG SER 2 -16.905 -18.161 -17.122
9 H SER 3 H SER 3 -12.226 -16.144 -15.616
10 HA SER 3 HA SER 3 -10.254 -17.843 -16.983
11 HB2 SER 3 1HB SER 3 -9.766 -15.072 -15.866
12 HB3 SER 3 2HB SER 3 -8.500 -16.162 -16.430
13 HG SER 3 HG SER 3 -9.925 -16.161 -18.448
14 H GLY 4 H GLY 4 -11.816 -18.669 -14.840
15 HA2 GLY 4 1HA GLY 4 -11.275 -20.011 -12.995
16 HA3 GLY 4 2HA GLY 4 -9.730 -19.184 -12.874
17 H SER 5 H SER 5 -9.591 -17.227 -11.742
18 HA SER 5 HA SER 5 -11.558 -16.963 -9.645
19 HB2 SER 5 1HB SER 5 -9.989 -15.197 -8.789
20 HB3 SER 5 2HB SER 5 -9.243 -16.780 -9.006
21 HG SER 5 HG SER 5 -7.843 -15.463 -9.986
22 H SER 6 H SER 6 -13.372 -15.882 -10.037
23 HA SER 6 HA SER 6 -13.326 -13.135 -10.770
24 HB2 SER 6 1HB SER 6 -14.592 -13.291 -12.868
25 HB3 SER 6 2HB SER 6 -13.031 -14.099 -13.017
26 HG SER 6 HG SER 6 -14.004 -15.983 -13.182
27 H GLY 7 H GLY 7 -15.720 -12.399 -11.240
28 HA2 GLY 7 1HA GLY 7 -18.048 -12.792 -10.785
29 HA3 GLY 7 2HA GLY 7 -17.570 -14.006 -9.607
30 H SER 8 H SER 8 -16.548 -13.258 -7.621
31 HA SER 8 HA SER 8 -17.290 -10.491 -6.935
32 HB2 SER 8 1HB SER 8 -17.914 -13.047 -5.505
33 HB3 SER 8 2HB SER 8 -17.668 -11.576 -4.563
34 HG SER 8 HG SER 8 -19.764 -11.457 -5.012
35 H GLY 9 H GLY 9 -15.821 -9.333 -5.801
36 HA2 GLY 9 1HA GLY 9 -13.152 -10.354 -5.619
37 HA3 GLY 9 2HA GLY 9 -13.697 -8.765 -5.102
38 H GLU 10 H GLU 10 -15.381 -9.104 -3.127
39 HA GLU 10 HA GLU 10 -15.189 -9.257 -0.825
40 HB2 GLU 10 1HB GLU 10 -15.701 -11.504 -0.071
41 HB3 GLU 10 2HB GLU 10 -16.594 -11.156 -1.545
42 HG2 GLU 10 1HG GLU 10 -14.824 -12.379 -2.811
43 HG3 GLU 10 2HG GLU 10 -14.133 -12.859 -1.262
44 H LYS 11 H LYS 11 -12.650 -8.779 -1.893
45 HA LYS 11 HA LYS 11 -10.965 -10.376 -0.078
46 HB2 LYS 11 1HB LYS 11 -10.441 -10.992 -2.366
47 HB3 LYS 11 2HB LYS 11 -10.254 -9.302 -2.813
48 HG2 LYS 11 1HG LYS 11 -8.077 -10.132 -2.583
49 HG3 LYS 11 2HG LYS 11 -8.378 -9.207 -1.110
50 HD2 LYS 11 1HD LYS 11 -8.871 -11.261 0.099
51 HD3 LYS 11 2HD LYS 11 -8.642 -12.203 -1.376
52 HE2 LYS 11 1HE LYS 11 -6.652 -12.362 -0.044
53 HE3 LYS 11 2HE LYS 11 -6.300 -11.385 -1.469
54 HZ1 LYS 11 3HZ LYS 11 -5.976 -10.695 1.220
55 HZ2 LYS 11 1HZ LYS 11 -7.174 -9.686 0.579
56 HZ3 LYS 11 2HZ LYS 11 -5.648 -9.753 -0.147
57 H SER 12 H SER 12 -10.054 -9.212 1.472
58 HA SER 12 HA SER 12 -10.151 -6.325 1.375
59 HB2 SER 12 1HB SER 12 -9.339 -6.429 3.686
60 HB3 SER 12 2HB SER 12 -10.697 -7.531 3.457
61 HG SER 12 HG SER 12 -9.387 -8.971 4.240
62 H HIS 13 H HIS 13 -8.574 -5.062 0.667
63 HA HIS 13 HA HIS 13 -6.181 -5.984 -0.414
64 HB2 HIS 13 1HB HIS 13 -6.564 -3.197 0.674
65 HB3 HIS 13 2HB HIS 13 -5.560 -3.703 -0.681
66 HD1 HIS 13 HD1 HIS 13 -6.601 -3.600 -2.947
67 HD2 HIS 13 HD2 HIS 13 -9.419 -3.373 0.097
68 HE1 HIS 13 HE1 HIS 13 -8.784 -3.095 -4.088
69 H THR 14 H THR 14 -4.341 -6.649 0.463
70 HA THR 14 HA THR 14 -3.765 -5.890 3.253
71 HB THR 14 HB THR 14 -2.997 -8.444 1.826
72 HG1 THR 14 HG1 THR 14 -4.492 -9.388 3.235
73 HG21 THR 14 3HG2 THR 14 -1.658 -8.997 3.558
74 HG22 THR 14 1HG2 THR 14 -2.704 -8.223 4.748
75 HG23 THR 14 2HG2 THR 14 -1.574 -7.253 3.803
76 H CYS 15 H CYS 15 -1.929 -4.828 3.629
77 HA CYS 15 HA CYS 15 -0.226 -4.055 1.481
78 HB2 CYS 15 1HB CYS 15 -0.739 -2.654 3.505
79 HB3 CYS 15 2HB CYS 15 0.290 -3.733 4.442
80 H ASP 16 H ASP 16 1.241 -5.334 0.587
81 HA ASP 16 HA ASP 16 2.268 -7.664 1.864
82 HB2 ASP 16 1HB ASP 16 1.947 -7.188 -0.666
83 HB3 ASP 16 2HB ASP 16 3.518 -6.398 -0.559
84 H GLU 17 H GLU 17 3.180 -4.376 1.875
85 HA GLU 17 HA GLU 17 5.969 -4.644 2.264
86 HB2 GLU 17 1HB GLU 17 4.184 -2.434 3.291
87 HB3 GLU 17 2HB GLU 17 5.918 -2.348 3.019
88 HG2 GLU 17 1HG GLU 17 3.825 -2.728 0.890
89 HG3 GLU 17 2HG GLU 17 4.662 -1.222 1.259
90 H CYS 18 H CYS 18 3.292 -4.218 4.571
91 HA CYS 18 HA CYS 18 5.079 -5.225 6.688
92 HB2 CYS 18 1HB CYS 18 3.724 -3.953 8.291
93 HB3 CYS 18 2HB CYS 18 4.417 -2.895 7.067
94 H GLY 19 H GLY 19 1.761 -5.225 5.448
95 HA2 GLY 19 1HA GLY 19 0.717 -7.458 5.267
96 HA3 GLY 19 2HA GLY 19 1.340 -7.777 6.880
97 H LYS 20 H LYS 20 0.025 -4.661 6.082
98 HA LYS 20 HA LYS 20 -1.946 -4.900 8.151
99 HB2 LYS 20 1HB LYS 20 -1.125 -2.739 6.243
100 HB3 LYS 20 2HB LYS 20 -2.623 -2.581 7.151
101 HG2 LYS 20 1HG LYS 20 -0.104 -3.233 8.603
102 HG3 LYS 20 2HG LYS 20 -0.396 -1.576 8.067
103 HD2 LYS 20 1HD LYS 20 -2.543 -1.585 9.265
104 HD3 LYS 20 2HD LYS 20 -2.216 -3.227 9.822
105 HE2 LYS 20 1HE LYS 20 -1.647 -1.696 11.579
106 HE3 LYS 20 2HE LYS 20 -0.158 -2.379 10.927
107 HZ1 LYS 20 3HZ LYS 20 -1.213 0.211 9.972
108 HZ2 LYS 20 1HZ LYS 20 0.360 -0.400 9.843
109 HZ3 LYS 20 2HZ LYS 20 -0.227 0.113 11.343
110 H ASN 21 H ASN 21 -4.176 -3.692 7.372
111 HA ASN 21 HA ASN 21 -5.159 -5.081 4.985
112 HB2 ASN 21 1HB ASN 21 -5.637 -6.255 7.297
113 HB3 ASN 21 2HB ASN 21 -6.895 -5.029 7.421
114 HD21 ASN 21 1HD2 ASN 21 -5.725 -7.756 5.580
115 HD22 ASN 21 2HD2 ASN 21 -7.217 -8.105 4.782
116 H PHE 22 H PHE 22 -6.712 -3.999 3.845
117 HA PHE 22 HA PHE 22 -8.013 -1.671 4.985
118 HB2 PHE 22 1HB PHE 22 -6.364 -1.332 2.480
119 HB3 PHE 22 2HB PHE 22 -7.180 -0.081 3.412
120 HD1 PHE 22 HD2 PHE 22 -4.326 -2.401 3.356
121 HD2 PHE 22 HD1 PHE 22 -6.169 0.888 5.331
122 HE1 PHE 22 HE2 PHE 22 -2.261 -2.019 4.638
123 HE2 PHE 22 HE1 PHE 22 -4.107 1.276 6.616
124 HZ PHE 22 HZ PHE 22 -2.150 -0.179 6.271
125 H CYS 23 H CYS 23 -10.063 -2.069 4.487
126 HA CYS 23 HA CYS 23 -10.995 -3.736 2.473
127 HB2 CYS 23 1HB CYS 23 -12.349 -1.430 3.880
128 HB3 CYS 23 2HB CYS 23 -13.192 -2.535 2.800
129 HG CYS 23 HG CYS 23 -11.875 -3.180 5.873
130 H TYR 24 H TYR 24 -10.414 -0.256 2.431
131 HA TYR 24 HA TYR 24 -11.059 -0.230 -0.441
132 HB2 TYR 24 1HB TYR 24 -10.954 2.374 0.099
133 HB3 TYR 24 2HB TYR 24 -12.413 1.428 0.374
134 HD1 TYR 24 HD2 TYR 24 -12.590 0.349 2.776
135 HD2 TYR 24 HD1 TYR 24 -10.155 3.702 1.815
136 HE1 TYR 24 HE2 TYR 24 -12.579 1.012 5.145
137 HE2 TYR 24 HE1 TYR 24 -10.136 4.375 4.180
138 HH TYR 24 HH TYR 24 -10.441 3.221 6.424
139 H ILE 25 H ILE 25 -9.460 0.031 -1.851
140 HA ILE 25 HA ILE 25 -6.789 -0.066 -1.269
141 HB ILE 25 HB ILE 25 -7.977 -0.241 -3.555
142 HG12 ILE 25 1HG1 ILE 25 -5.834 0.459 -4.729
143 HG13 ILE 25 2HG1 ILE 25 -5.266 1.031 -3.164
144 HG21 ILE 25 1HG2 ILE 25 -7.254 2.686 -3.600
145 HG22 ILE 25 2HG2 ILE 25 -7.897 1.743 -4.944
146 HG23 ILE 25 3HG2 ILE 25 -8.894 2.043 -3.521
147 HD11 ILE 25 3HD1 ILE 25 -6.250 -1.764 -3.392
148 HD12 ILE 25 1HD1 ILE 25 -4.660 -1.358 -4.038
149 HD13 ILE 25 2HD1 ILE 25 -5.016 -1.081 -2.333
150 H SER 26 H SER 26 -8.740 2.851 -1.810
151 HA SER 26 HA SER 26 -6.905 4.836 -1.801
152 HB2 SER 26 1HB SER 26 -9.164 5.493 -1.950
153 HB3 SER 26 2HB SER 26 -9.587 4.690 -0.438
154 HG SER 26 HG SER 26 -8.631 6.296 0.696
155 H ALA 27 H ALA 27 -8.180 3.254 1.118
156 HA ALA 27 HA ALA 27 -6.711 4.711 2.998
157 HB1 ALA 27 3HB ALA 27 -7.943 3.481 4.371
158 HB2 ALA 27 1HB ALA 27 -8.459 2.483 3.011
159 HB3 ALA 27 2HB ALA 27 -7.021 2.044 3.932
160 H LEU 28 H LEU 28 -5.974 1.543 1.536
161 HA LEU 28 HA LEU 28 -3.540 1.082 2.781
162 HB2 LEU 28 1HB LEU 28 -4.387 -0.714 1.594
163 HB3 LEU 28 2HB LEU 28 -4.705 0.256 0.158
164 HG LEU 28 HG LEU 28 -2.203 0.374 -0.168
165 HD11 LEU 28 1HD1 LEU 28 -1.082 -0.225 1.698
166 HD12 LEU 28 2HD1 LEU 28 -1.221 -1.834 0.992
167 HD13 LEU 28 3HD1 LEU 28 -2.351 -1.321 2.244
168 HD21 LEU 28 3HD2 LEU 28 -3.025 -1.058 -1.702
169 HD22 LEU 28 1HD2 LEU 28 -3.967 -1.959 -0.514
170 HD23 LEU 28 2HD2 LEU 28 -2.240 -2.273 -0.692
171 H ARG 29 H ARG 29 -4.230 2.886 -0.187
172 HA ARG 29 HA ARG 29 -1.593 3.389 -0.968
173 HB2 ARG 29 1HB ARG 29 -3.931 5.261 -1.354
174 HB3 ARG 29 2HB ARG 29 -2.483 5.148 -2.344
175 HG2 ARG 29 1HG ARG 29 -4.163 2.719 -2.072
176 HG3 ARG 29 2HG ARG 29 -4.770 4.044 -3.067
177 HD2 ARG 29 1HD ARG 29 -2.306 3.948 -4.037
178 HD3 ARG 29 2HD ARG 29 -2.412 2.282 -3.470
179 HE ARG 29 HE ARG 29 -4.673 2.505 -4.866
180 HH11 ARG 29 1HH1 ARG 29 -1.409 3.440 -5.633
181 HH12 ARG 29 2HH1 ARG 29 -1.604 3.206 -7.339
182 HH21 ARG 29 1HH2 ARG 29 -4.942 2.193 -7.110
183 HH22 ARG 29 2HH2 ARG 29 -3.614 2.497 -8.177
184 H ILE 30 H ILE 30 -3.637 4.951 1.407
185 HA ILE 30 HA ILE 30 -1.965 7.235 1.783
186 HB ILE 30 HB ILE 30 -4.084 6.052 3.581
187 HG12 ILE 30 1HG1 ILE 30 -4.278 8.527 1.872
188 HG13 ILE 30 2HG1 ILE 30 -4.714 6.937 1.257
189 HG21 ILE 30 1HG2 ILE 30 -3.142 7.376 5.129
190 HG22 ILE 30 2HG2 ILE 30 -2.231 8.295 3.932
191 HG23 ILE 30 3HG2 ILE 30 -3.923 8.684 4.241
192 HD11 ILE 30 3HD1 ILE 30 -6.077 7.119 3.652
193 HD12 ILE 30 1HD1 ILE 30 -6.198 8.737 2.961
194 HD13 ILE 30 2HD1 ILE 30 -6.748 7.339 2.036
195 H HIS 31 H HIS 31 -2.304 4.109 3.395
196 HA HIS 31 HA HIS 31 -0.483 4.669 5.501
197 HB2 HIS 31 1HB HIS 31 -1.833 2.886 6.043
198 HB3 HIS 31 2HB HIS 31 -1.800 2.226 4.410
199 HD1 HIS 31 HD1 HIS 31 0.412 2.485 7.475
200 HD2 HIS 31 HD2 HIS 31 -0.023 0.189 4.041
201 HE1 HIS 31 HE1 HIS 31 2.039 0.584 7.727
202 H GLN 32 H GLN 32 -0.145 2.883 2.443
203 HA GLN 32 HA GLN 32 2.385 1.951 2.559
204 HB2 GLN 32 1HB GLN 32 0.934 3.273 0.281
205 HB3 GLN 32 2HB GLN 32 2.550 2.610 0.073
206 HG2 GLN 32 1HG GLN 32 1.612 0.432 0.970
207 HG3 GLN 32 2HG GLN 32 0.018 1.156 0.760
208 HE21 GLN 32 1HE2 GLN 32 -0.597 1.817 -1.382
209 HE22 GLN 32 2HE2 GLN 32 0.053 0.994 -2.755
210 H ARG 33 H ARG 33 1.439 5.308 2.241
211 HA ARG 33 HA ARG 33 3.697 6.564 1.397
212 HB2 ARG 33 1HB ARG 33 1.898 7.397 3.679
213 HB3 ARG 33 2HB ARG 33 3.064 8.453 2.895
214 HG2 ARG 33 1HG ARG 33 1.855 8.092 0.751
215 HG3 ARG 33 2HG ARG 33 0.631 7.196 1.652
216 HD2 ARG 33 1HD ARG 33 -0.239 9.361 1.487
217 HD3 ARG 33 2HD ARG 33 0.437 9.283 3.114
218 HE ARG 33 HE ARG 33 1.959 10.887 2.520
219 HH11 ARG 33 1HH1 ARG 33 0.511 9.566 -0.357
220 HH12 ARG 33 2HH1 ARG 33 1.234 10.732 -1.414
221 HH21 ARG 33 1HH2 ARG 33 2.917 12.429 1.139
222 HH22 ARG 33 2HH2 ARG 33 2.603 12.360 -0.562
223 H VAL 34 H VAL 34 3.083 5.333 4.662
224 HA VAL 34 HA VAL 34 5.369 6.300 5.926
225 HB VAL 34 HB VAL 34 5.009 4.698 7.629
226 HG11 VAL 34 1HG1 VAL 34 2.804 5.109 8.208
227 HG12 VAL 34 2HG1 VAL 34 3.136 6.392 7.042
228 HG13 VAL 34 3HG1 VAL 34 2.232 4.960 6.546
229 HG21 VAL 34 3HG2 VAL 34 3.513 2.718 7.264
230 HG22 VAL 34 1HG2 VAL 34 3.560 3.083 5.539
231 HG23 VAL 34 2HG2 VAL 34 5.044 2.659 6.390
232 H HIS 35 H HIS 35 4.897 3.409 3.963
233 HA HIS 35 HA HIS 35 7.430 2.250 4.478
234 HB2 HIS 35 1HB HIS 35 5.400 1.889 2.283
235 HB3 HIS 35 2HB HIS 35 6.933 1.022 2.273
236 HD1 HIS 35 HD1 HIS 35 7.346 -0.551 4.435
237 HD2 HIS 35 HD2 HIS 35 3.447 0.725 3.781
238 HE1 HIS 35 HE1 HIS 35 5.898 -2.087 5.802
239 H MET 36 H MET 36 6.269 4.576 2.117
240 HA MET 36 HA MET 36 8.232 4.603 0.227
241 HB2 MET 36 1HB MET 36 6.957 7.019 1.523
242 HB3 MET 36 2HB MET 36 7.817 7.030 -0.011
243 HG2 MET 36 1HG MET 36 6.157 5.467 -0.929
244 HG3 MET 36 2HG MET 36 5.280 5.533 0.598
245 HE1 MET 36 3HE MET 36 3.743 7.545 -2.654
246 HE2 MET 36 1HE MET 36 5.469 7.388 -2.986
247 HE3 MET 36 2HE MET 36 4.554 5.999 -2.399
248 H GLY 37 H GLY 37 10.354 5.015 0.140
249 HA2 GLY 37 1HA GLY 37 12.083 5.040 2.196
250 HA3 GLY 37 2HA GLY 37 12.414 5.918 0.710
251 H GLU 38 H GLU 38 10.932 8.074 0.709
252 HA GLU 38 HA GLU 38 12.101 9.974 2.164
253 HB2 GLU 38 1HB GLU 38 9.146 9.822 1.552
254 HB3 GLU 38 2HB GLU 38 9.965 11.278 2.100
255 HG2 GLU 38 1HG GLU 38 11.488 10.968 0.075
256 HG3 GLU 38 2HG GLU 38 10.277 9.823 -0.499
257 H LYS 39 H LYS 39 12.707 9.692 4.238
258 HA LYS 39 HA LYS 39 10.866 10.146 6.317
259 HB2 LYS 39 1HB LYS 39 10.231 7.807 5.870
260 HB3 LYS 39 2HB LYS 39 11.896 7.308 6.140
261 HG2 LYS 39 1HG LYS 39 11.765 7.608 8.410
262 HG3 LYS 39 2HG LYS 39 10.469 8.800 8.286
263 HD2 LYS 39 1HD LYS 39 9.964 5.983 7.430
264 HD3 LYS 39 2HD LYS 39 9.968 6.380 9.150
265 HE2 LYS 39 1HE LYS 39 8.305 7.821 7.090
266 HE3 LYS 39 2HE LYS 39 7.718 6.468 8.056
267 HZ1 LYS 39 3HZ LYS 39 7.586 7.728 9.907
268 HZ2 LYS 39 1HZ LYS 39 7.432 8.990 8.791
269 HZ3 LYS 39 2HZ LYS 39 8.929 8.678 9.514
270 H CYS 40 H CYS 40 11.889 10.694 8.211
271 HA CYS 40 HA CYS 40 14.589 11.414 8.097
272 HB2 CYS 40 1HB CYS 40 12.649 12.219 9.664
273 HB3 CYS 40 2HB CYS 40 13.227 10.940 10.724
274 HG CYS 40 HG CYS 40 14.205 13.546 11.444
275 H SER 41 H SER 41 16.285 10.107 8.046
276 HA SER 41 HA SER 41 16.132 7.432 9.154
277 HB2 SER 41 1HB SER 41 18.371 8.846 7.685
278 HB3 SER 41 2HB SER 41 18.378 7.144 8.148
279 HG SER 41 HG SER 41 17.615 7.851 5.918
280 H GLY 42 H GLY 42 17.454 6.608 10.784
281 HA2 GLY 42 1HA GLY 42 19.208 6.810 12.402
282 HA3 GLY 42 2HA GLY 42 19.047 8.558 12.305
283 HA PRO 43 HA PRO 43 16.889 7.071 16.141
284 HB2 PRO 43 1HB PRO 43 18.040 8.896 17.788
285 HB3 PRO 43 2HB PRO 43 18.781 7.334 17.417
286 HG2 PRO 43 1HG PRO 43 19.354 10.029 16.246
287 HG3 PRO 43 2HG PRO 43 20.490 8.763 16.748
288 HD2 PRO 43 1HD PRO 43 19.804 9.161 14.159
289 HD3 PRO 43 2HD PRO 43 20.199 7.556 14.806
290 H SER 44 H SER 44 15.000 7.942 15.059
291 HA SER 44 HA SER 44 14.502 10.776 15.143
292 HB2 SER 44 1HB SER 44 13.556 9.446 13.330
293 HB3 SER 44 2HB SER 44 12.671 8.454 14.488
294 HG SER 44 HG SER 44 12.290 11.199 13.897
295 H SER 45 H SER 45 12.807 7.996 16.607
296 HA SER 45 HA SER 45 12.288 9.670 18.970
297 HB2 SER 45 1HB SER 45 10.033 8.633 19.138
298 HB3 SER 45 2HB SER 45 10.227 9.603 17.678
299 HG SER 45 HG SER 45 10.622 7.651 16.540
300 H GLY 46 H GLY 46 14.408 7.888 18.769
301 HA2 GLY 46 1HA GLY 46 14.905 6.578 20.868
302 HA3 GLY 46 2HA GLY 46 13.504 5.613 20.424