Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505232 | 2ep0 RC | 10210 | 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 5.991 20.419 -3.591
2 HA2 GLY 1 1HA GLY 1 4.161 20.213 -1.856
3 HA3 GLY 1 2HA GLY 1 3.478 21.636 -2.629
4 H SER 2 H SER 2 3.989 20.927 -5.316
5 HA SER 2 HA SER 2 1.730 19.277 -5.814
6 HB2 SER 2 1HB SER 2 2.256 19.585 -8.171
7 HB3 SER 2 2HB SER 2 2.445 21.118 -7.321
8 HG SER 2 HG SER 2 4.711 20.667 -7.243
9 H SER 3 H SER 3 1.662 17.259 -6.916
10 HA SER 3 HA SER 3 3.189 15.240 -5.875
11 HB2 SER 3 1HB SER 3 1.927 15.245 -8.628
12 HB3 SER 3 2HB SER 3 2.359 13.819 -7.684
13 HG SER 3 HG SER 3 0.772 14.306 -6.227
14 H GLY 4 H GLY 4 4.938 13.986 -6.599
15 HA2 GLY 4 1HA GLY 4 6.378 14.367 -8.962
16 HA3 GLY 4 2HA GLY 4 7.068 15.438 -7.752
17 H SER 5 H SER 5 6.156 12.044 -8.275
18 HA SER 5 HA SER 5 8.322 11.263 -6.443
19 HB2 SER 5 1HB SER 5 7.165 9.123 -6.198
20 HB3 SER 5 2HB SER 5 6.066 10.452 -5.830
21 HG SER 5 HG SER 5 5.467 10.218 -8.168
22 H SER 6 H SER 6 10.056 11.304 -7.838
23 HA SER 6 HA SER 6 9.958 10.040 -10.415
24 HB2 SER 6 1HB SER 6 11.417 11.987 -9.975
25 HB3 SER 6 2HB SER 6 12.349 11.018 -8.835
26 HG SER 6 HG SER 6 12.073 10.601 -11.627
27 H GLY 7 H GLY 7 9.491 7.882 -10.190
28 HA2 GLY 7 1HA GLY 7 10.275 5.679 -10.152
29 HA3 GLY 7 2HA GLY 7 11.689 6.221 -9.260
30 H THR 8 H THR 8 11.337 6.816 -6.969
31 HA THR 8 HA THR 8 10.168 4.740 -5.536
32 HB THR 8 HB THR 8 10.754 7.539 -4.551
33 HG1 THR 8 HG1 THR 8 12.675 6.728 -5.196
34 HG21 THR 8 3HG2 THR 8 10.652 5.011 -2.921
35 HG22 THR 8 1HG2 THR 8 9.251 6.061 -3.122
36 HG23 THR 8 2HG2 THR 8 10.712 6.678 -2.351
37 H GLY 9 H GLY 9 8.063 4.244 -5.626
38 HA2 GLY 9 1HA GLY 9 6.133 6.048 -4.522
39 HA3 GLY 9 2HA GLY 9 5.931 5.857 -6.257
40 H GLU 10 H GLU 10 6.212 3.337 -6.843
41 HA GLU 10 HA GLU 10 3.954 2.082 -5.581
42 HB2 GLU 10 1HB GLU 10 4.621 1.988 -8.069
43 HB3 GLU 10 2HB GLU 10 5.783 0.765 -7.574
44 HG2 GLU 10 1HG GLU 10 2.816 0.601 -7.105
45 HG3 GLU 10 2HG GLU 10 3.674 -0.174 -8.435
46 H LYS 11 H LYS 11 4.615 1.690 -3.456
47 HA LYS 11 HA LYS 11 6.898 -0.078 -3.029
48 HB2 LYS 11 1HB LYS 11 5.081 1.091 -0.925
49 HB3 LYS 11 2HB LYS 11 6.701 0.441 -0.709
50 HG2 LYS 11 1HG LYS 11 6.040 2.923 -2.280
51 HG3 LYS 11 2HG LYS 11 6.620 2.900 -0.613
52 HD2 LYS 11 1HD LYS 11 8.620 3.165 -1.662
53 HD3 LYS 11 2HD LYS 11 8.526 1.404 -1.726
54 HE2 LYS 11 1HE LYS 11 7.720 1.467 -3.980
55 HE3 LYS 11 2HE LYS 11 7.547 3.220 -3.923
56 HZ1 LYS 11 3HZ LYS 11 10.048 1.638 -3.971
57 HZ2 LYS 11 1HZ LYS 11 10.023 3.271 -3.530
58 HZ3 LYS 11 2HZ LYS 11 9.528 2.806 -5.079
59 HA PRO 12 HA PRO 12 4.470 -3.731 -2.693
60 HB2 PRO 12 1HB PRO 12 6.084 -5.196 -1.075
61 HB3 PRO 12 2HB PRO 12 6.456 -4.884 -2.774
62 HG2 PRO 12 1HG PRO 12 7.501 -3.516 -0.326
63 HG3 PRO 12 2HG PRO 12 8.377 -4.035 -1.777
64 HD2 PRO 12 1HD PRO 12 7.621 -1.467 -1.372
65 HD3 PRO 12 2HD PRO 12 7.712 -2.191 -2.991
66 H TYR 13 H TYR 13 5.171 -1.712 -0.040
67 HA TYR 13 HA TYR 13 3.095 -3.060 1.552
68 HB2 TYR 13 1HB TYR 13 5.513 -1.685 2.731
69 HB3 TYR 13 2HB TYR 13 4.292 -2.618 3.588
70 HD1 TYR 13 HD2 TYR 13 4.205 -5.088 3.306
71 HD2 TYR 13 HD1 TYR 13 7.356 -2.750 1.660
72 HE1 TYR 13 HE2 TYR 13 5.568 -7.118 3.047
73 HE2 TYR 13 HE1 TYR 13 8.728 -4.775 1.395
74 HH TYR 13 HH TYR 13 7.845 -7.789 2.804
75 H LYS 14 H LYS 14 1.419 -1.712 1.209
76 HA LYS 14 HA LYS 14 1.822 1.130 1.877
77 HB2 LYS 14 1HB LYS 14 1.371 1.037 -0.463
78 HB3 LYS 14 2HB LYS 14 0.059 -0.112 -0.233
79 HG2 LYS 14 1HG LYS 14 -1.420 1.493 0.427
80 HG3 LYS 14 2HG LYS 14 -0.160 2.547 1.074
81 HD2 LYS 14 1HD LYS 14 -0.848 3.679 -0.832
82 HD3 LYS 14 2HD LYS 14 0.569 2.791 -1.398
83 HE2 LYS 14 1HE LYS 14 -1.090 0.966 -2.091
84 HE3 LYS 14 2HE LYS 14 -2.336 2.193 -1.870
85 HZ1 LYS 14 3HZ LYS 14 -1.283 1.871 -4.184
86 HZ2 LYS 14 1HZ LYS 14 0.011 2.762 -3.556
87 HZ3 LYS 14 2HZ LYS 14 -1.535 3.444 -3.615
88 H CYS 15 H CYS 15 0.606 1.914 3.478
89 HA CYS 15 HA CYS 15 -0.851 0.381 5.219
90 HB2 CYS 15 1HB CYS 15 -0.091 2.951 5.220
91 HB3 CYS 15 2HB CYS 15 -1.795 3.174 4.839
92 H ASP 16 H ASP 16 -3.094 0.127 5.642
93 HA ASP 16 HA ASP 16 -4.747 0.254 3.208
94 HB2 ASP 16 1HB ASP 16 -4.162 -2.000 4.399
95 HB3 ASP 16 2HB ASP 16 -5.403 -1.505 5.546
96 H VAL 17 H VAL 17 -4.268 2.245 5.488
97 HA VAL 17 HA VAL 17 -7.119 2.741 6.037
98 HB VAL 17 HB VAL 17 -6.441 2.149 8.161
99 HG11 VAL 17 1HG1 VAL 17 -3.811 3.569 7.758
100 HG12 VAL 17 2HG1 VAL 17 -4.275 2.561 9.130
101 HG13 VAL 17 3HG1 VAL 17 -4.061 1.837 7.536
102 HG21 VAL 17 3HG2 VAL 17 -7.390 4.401 8.195
103 HG22 VAL 17 1HG2 VAL 17 -6.195 4.196 9.475
104 HG23 VAL 17 2HG2 VAL 17 -5.777 5.090 8.014
105 H CYS 18 H CYS 18 -3.887 4.110 5.642
106 HA CYS 18 HA CYS 18 -5.136 6.696 4.975
107 HB2 CYS 18 1HB CYS 18 -3.203 7.824 5.773
108 HB3 CYS 18 2HB CYS 18 -3.609 6.629 7.001
109 H HIS 19 H HIS 19 -3.379 4.057 3.799
110 HA HIS 19 HA HIS 19 -2.649 3.565 1.691
111 HB2 HIS 19 1HB HIS 19 -3.252 6.398 0.859
112 HB3 HIS 19 2HB HIS 19 -3.189 4.956 -0.150
113 HD2 HIS 19 HD2 HIS 19 -5.263 3.312 2.078
114 HE1 HIS 19 HE1 HIS 19 -8.006 6.149 0.519
115 HE2 HIS 19 HE2 HIS 19 -7.738 4.028 1.852
116 H LYS 20 H LYS 20 -0.826 4.205 3.605
117 HA LYS 20 HA LYS 20 1.084 6.052 2.375
118 HB2 LYS 20 1HB LYS 20 0.691 4.939 5.105
119 HB3 LYS 20 2HB LYS 20 2.340 5.309 4.618
120 HG2 LYS 20 1HG LYS 20 0.170 7.338 4.283
121 HG3 LYS 20 2HG LYS 20 0.955 7.103 5.846
122 HD2 LYS 20 1HD LYS 20 2.513 7.578 3.318
123 HD3 LYS 20 2HD LYS 20 1.923 8.902 4.325
124 HE2 LYS 20 1HE LYS 20 3.123 7.852 6.254
125 HE3 LYS 20 2HE LYS 20 3.830 6.706 5.117
126 HZ1 LYS 20 3HZ LYS 20 4.101 9.631 4.765
127 HZ2 LYS 20 1HZ LYS 20 5.012 8.399 4.047
128 HZ3 LYS 20 2HZ LYS 20 5.196 8.737 5.694
129 H SER 21 H SER 21 2.321 5.142 0.864
130 HA SER 21 HA SER 21 2.891 2.377 0.709
131 HB2 SER 21 1HB SER 21 4.359 2.956 -1.132
132 HB3 SER 21 2HB SER 21 2.895 3.933 -1.241
133 HG SER 21 HG SER 21 5.309 4.815 -0.041
134 H PHE 22 H PHE 22 4.912 1.302 0.946
135 HA PHE 22 HA PHE 22 7.045 2.638 2.380
136 HB2 PHE 22 1HB PHE 22 5.481 0.370 3.627
137 HB3 PHE 22 2HB PHE 22 7.023 0.967 4.232
138 HD1 PHE 22 HD1 PHE 22 7.182 3.225 5.200
139 HD2 PHE 22 HD2 PHE 22 3.452 1.538 4.034
140 HE1 PHE 22 HE1 PHE 22 6.002 4.914 6.544
141 HE2 PHE 22 HE2 PHE 22 2.266 3.225 5.376
142 HZ PHE 22 HZ PHE 22 3.541 4.917 6.632
143 H ARG 23 H ARG 23 8.772 2.036 1.262
144 HA ARG 23 HA ARG 23 8.976 -0.091 -0.487
145 HB2 ARG 23 1HB ARG 23 10.583 1.667 -0.606
146 HB3 ARG 23 2HB ARG 23 11.102 1.393 1.052
147 HG2 ARG 23 1HG ARG 23 12.792 0.517 -0.340
148 HG3 ARG 23 2HG ARG 23 11.914 -0.868 0.311
149 HD2 ARG 23 1HD ARG 23 10.662 -1.078 -1.756
150 HD3 ARG 23 2HD ARG 23 11.450 0.360 -2.404
151 HE ARG 23 HE ARG 23 13.525 -1.276 -1.827
152 HH11 ARG 23 1HH1 ARG 23 10.587 -1.688 -3.648
153 HH12 ARG 23 2HH1 ARG 23 11.272 -2.843 -4.742
154 HH21 ARG 23 1HH2 ARG 23 14.439 -2.797 -3.261
155 HH22 ARG 23 2HH2 ARG 23 13.464 -3.474 -4.520
156 H TYR 24 H TYR 24 9.305 -0.056 2.962
157 HA TYR 24 HA TYR 24 10.018 -2.915 2.896
158 HB2 TYR 24 1HB TYR 24 10.835 -0.780 4.866
159 HB3 TYR 24 2HB TYR 24 11.001 -2.500 5.200
160 HD1 TYR 24 HD2 TYR 24 11.726 -0.346 2.226
161 HD2 TYR 24 HD1 TYR 24 13.196 -3.175 5.043
162 HE1 TYR 24 HE2 TYR 24 13.899 -0.355 1.074
163 HE2 TYR 24 HE1 TYR 24 15.373 -3.191 3.900
164 HH TYR 24 HH TYR 24 16.251 -0.877 1.588
165 H GLY 25 H GLY 25 8.869 -4.308 4.184
166 HA2 GLY 25 1HA GLY 25 6.225 -3.609 4.855
167 HA3 GLY 25 2HA GLY 25 7.042 -5.090 5.331
168 H SER 26 H SER 26 9.113 -3.995 6.869
169 HA SER 26 HA SER 26 7.913 -3.788 9.369
170 HB2 SER 26 1HB SER 26 10.272 -4.414 9.048
171 HB3 SER 26 2HB SER 26 10.640 -2.767 8.534
172 HG SER 26 HG SER 26 11.009 -2.489 10.590
173 H SER 27 H SER 27 9.084 -1.239 7.207
174 HA SER 27 HA SER 27 8.716 0.954 8.875
175 HB2 SER 27 1HB SER 27 8.297 0.868 5.878
176 HB3 SER 27 2HB SER 27 8.637 2.304 6.843
177 HG SER 27 HG SER 27 10.637 1.826 6.396
178 H LEU 28 H LEU 28 6.425 -0.540 6.607
179 HA LEU 28 HA LEU 28 4.293 1.191 6.895
180 HB2 LEU 28 1HB LEU 28 4.156 -0.488 5.249
181 HB3 LEU 28 2HB LEU 28 4.405 -1.774 6.428
182 HG LEU 28 HG LEU 28 2.165 -1.315 7.358
183 HD11 LEU 28 1HD1 LEU 28 2.396 1.089 5.996
184 HD12 LEU 28 2HD1 LEU 28 0.963 0.475 6.820
185 HD13 LEU 28 3HD1 LEU 28 1.177 0.188 5.094
186 HD21 LEU 28 3HD2 LEU 28 0.943 -1.948 5.108
187 HD22 LEU 28 1HD2 LEU 28 2.034 -3.078 5.910
188 HD23 LEU 28 2HD2 LEU 28 2.600 -2.134 4.531
189 H THR 29 H THR 29 4.653 -1.894 8.656
190 HA THR 29 HA THR 29 2.580 -1.602 10.438
191 HB THR 29 HB THR 29 5.269 -2.881 10.971
192 HG1 THR 29 HG1 THR 29 3.930 -3.683 9.172
193 HG21 THR 29 3HG2 THR 29 3.608 -2.294 12.932
194 HG22 THR 29 1HG2 THR 29 4.425 -3.855 12.874
195 HG23 THR 29 2HG2 THR 29 2.752 -3.715 12.335
196 H VAL 30 H VAL 30 5.982 -0.712 11.054
197 HA VAL 30 HA VAL 30 5.706 0.406 13.551
198 HB VAL 30 HB VAL 30 7.508 1.371 11.327
199 HG11 VAL 30 1HG1 VAL 30 7.530 3.086 12.918
200 HG12 VAL 30 2HG1 VAL 30 7.444 1.955 14.270
201 HG13 VAL 30 3HG1 VAL 30 8.929 2.095 13.329
202 HG21 VAL 30 3HG2 VAL 30 8.584 -0.555 11.601
203 HG22 VAL 30 1HG2 VAL 30 8.926 -0.087 13.266
204 HG23 VAL 30 2HG2 VAL 30 7.483 -1.030 12.894
205 H HIS 31 H HIS 31 4.601 1.636 10.520
206 HA HIS 31 HA HIS 31 4.224 4.335 11.519
207 HB2 HIS 31 1HB HIS 31 4.693 4.523 9.289
208 HB3 HIS 31 2HB HIS 31 3.960 2.971 8.894
209 HD1 HIS 31 HD1 HIS 31 3.290 6.587 8.958
210 HD2 HIS 31 HD2 HIS 31 1.100 3.075 8.597
211 HE1 HIS 31 HE1 HIS 31 1.036 7.286 8.089
212 H GLN 32 H GLN 32 2.238 1.552 10.598
213 HA GLN 32 HA GLN 32 -0.281 2.677 10.899
214 HB2 GLN 32 1HB GLN 32 0.496 -0.151 11.625
215 HB3 GLN 32 2HB GLN 32 -1.111 0.419 11.195
216 HG2 GLN 32 1HG GLN 32 -0.124 1.069 8.954
217 HG3 GLN 32 2HG GLN 32 1.294 0.134 9.426
218 HE21 GLN 32 1HE2 GLN 32 -1.959 0.035 8.333
219 HE22 GLN 32 2HE2 GLN 32 -2.075 -1.678 8.141
220 H ARG 33 H ARG 33 2.089 2.202 13.249
221 HA ARG 33 HA ARG 33 0.784 1.505 15.554
222 HB2 ARG 33 1HB ARG 33 2.951 3.559 15.119
223 HB3 ARG 33 2HB ARG 33 2.405 3.072 16.718
224 HG2 ARG 33 1HG ARG 33 2.931 0.671 15.884
225 HG3 ARG 33 2HG ARG 33 3.911 1.503 14.675
226 HD2 ARG 33 1HD ARG 33 5.413 1.093 16.406
227 HD3 ARG 33 2HD ARG 33 4.924 2.766 16.671
228 HE ARG 33 HE ARG 33 3.394 0.784 18.121
229 HH11 ARG 33 1HH1 ARG 33 6.103 2.970 18.147
230 HH12 ARG 33 2HH1 ARG 33 6.187 3.052 19.876
231 HH21 ARG 33 1HH2 ARG 33 3.494 0.884 20.397
232 HH22 ARG 33 2HH2 ARG 33 4.703 1.864 21.155
233 H ILE 34 H ILE 34 0.714 4.598 13.881
234 HA ILE 34 HA ILE 34 -0.695 5.992 15.935
235 HB ILE 34 HB ILE 34 -0.730 7.823 14.532
236 HG12 ILE 34 1HG1 ILE 34 -2.070 6.636 12.763
237 HG13 ILE 34 2HG1 ILE 34 -0.889 7.784 12.141
238 HG21 ILE 34 1HG2 ILE 34 1.494 6.278 13.228
239 HG22 ILE 34 2HG2 ILE 34 1.411 8.007 13.559
240 HG23 ILE 34 3HG2 ILE 34 1.586 6.863 14.889
241 HD11 ILE 34 3HD1 ILE 34 -1.062 5.590 10.926
242 HD12 ILE 34 1HD1 ILE 34 0.557 6.059 11.444
243 HD13 ILE 34 2HD1 ILE 34 -0.341 4.841 12.350
244 H HIS 35 H HIS 35 -1.614 3.901 13.340
245 HA HIS 35 HA HIS 35 -4.363 4.756 13.256
246 HB2 HIS 35 1HB HIS 35 -2.941 2.371 12.065
247 HB3 HIS 35 2HB HIS 35 -4.651 2.712 11.817
248 HD1 HIS 35 HD1 HIS 35 -4.601 5.685 11.225
249 HD2 HIS 35 HD2 HIS 35 -1.827 3.006 9.679
250 HE1 HIS 35 HE1 HIS 35 -3.688 6.782 9.154
251 H THR 36 H THR 36 -2.490 2.622 15.163
252 HA THR 36 HA THR 36 -4.918 1.303 16.183
253 HB THR 36 HB THR 36 -3.359 -0.344 15.426
254 HG1 THR 36 HG1 THR 36 -4.306 -0.388 17.742
255 HG21 THR 36 3HG2 THR 36 -1.246 0.472 15.250
256 HG22 THR 36 1HG2 THR 36 -1.069 -0.302 16.824
257 HG23 THR 36 2HG2 THR 36 -1.378 1.432 16.723
258 H GLY 37 H GLY 37 -5.570 1.675 18.215
259 HA2 GLY 37 1HA GLY 37 -5.137 2.029 20.548
260 HA3 GLY 37 2HA GLY 37 -3.667 2.885 20.105
261 H GLU 38 H GLU 38 -3.783 5.042 19.438
262 HA GLU 38 HA GLU 38 -5.994 6.496 20.556
263 HB2 GLU 38 1HB GLU 38 -3.396 7.249 19.267
264 HB3 GLU 38 2HB GLU 38 -4.638 8.470 19.507
265 HG2 GLU 38 1HG GLU 38 -4.613 8.106 21.881
266 HG3 GLU 38 2HG GLU 38 -3.496 6.755 21.699
267 H LYS 39 H LYS 39 -7.390 7.916 19.462
268 HA LYS 39 HA LYS 39 -8.786 7.096 17.345
269 HB2 LYS 39 1HB LYS 39 -9.539 9.336 16.968
270 HB3 LYS 39 2HB LYS 39 -9.227 9.165 18.690
271 HG2 LYS 39 1HG LYS 39 -7.045 10.216 16.973
272 HG3 LYS 39 2HG LYS 39 -8.415 11.271 17.330
273 HD2 LYS 39 1HD LYS 39 -7.091 9.789 19.557
274 HD3 LYS 39 2HD LYS 39 -6.318 11.234 18.901
275 HE2 LYS 39 1HE LYS 39 -7.633 12.001 20.689
276 HE3 LYS 39 2HE LYS 39 -8.558 12.391 19.240
277 HZ1 LYS 39 3HZ LYS 39 -9.735 11.287 21.234
278 HZ2 LYS 39 1HZ LYS 39 -9.044 9.855 20.653
279 HZ3 LYS 39 2HZ LYS 39 -10.092 10.748 19.671
280 HA PRO 40 HA PRO 40 -6.255 7.071 13.744
281 HB2 PRO 40 1HB PRO 40 -8.192 7.226 11.848
282 HB3 PRO 40 2HB PRO 40 -7.884 5.762 12.790
283 HG2 PRO 40 1HG PRO 40 -9.984 7.859 13.182
284 HG3 PRO 40 2HG PRO 40 -10.132 6.094 13.282
285 HD2 PRO 40 1HD PRO 40 -9.921 7.665 15.478
286 HD3 PRO 40 2HD PRO 40 -9.265 6.017 15.417
287 H SER 41 H SER 41 -5.697 8.355 11.854
288 HA SER 41 HA SER 41 -6.660 11.131 11.957
289 HB2 SER 41 1HB SER 41 -4.376 11.960 11.675
290 HB3 SER 41 2HB SER 41 -4.492 10.987 13.141
291 HG SER 41 HG SER 41 -3.487 10.127 10.628
292 H GLY 42 H GLY 42 -6.054 12.374 9.969
293 HA2 GLY 42 1HA GLY 42 -5.563 12.470 7.661
294 HA3 GLY 42 2HA GLY 42 -5.602 10.714 7.604
295 HA PRO 43 HA PRO 43 -9.578 12.567 5.898
296 HB2 PRO 43 1HB PRO 43 -9.322 11.575 3.384
297 HB3 PRO 43 2HB PRO 43 -8.672 13.146 3.868
298 HG2 PRO 43 1HG PRO 43 -7.266 10.518 3.596
299 HG3 PRO 43 2HG PRO 43 -6.733 12.130 3.085
300 HD2 PRO 43 1HD PRO 43 -5.848 10.956 5.359
301 HD3 PRO 43 2HD PRO 43 -6.046 12.713 5.207
302 H SER 44 H SER 44 -11.372 11.405 6.199
303 HA SER 44 HA SER 44 -11.227 8.484 5.833
304 HB2 SER 44 1HB SER 44 -11.366 9.027 8.208
305 HB3 SER 44 2HB SER 44 -12.786 10.032 7.917
306 HG SER 44 HG SER 44 -13.454 7.784 6.893
307 H SER 45 H SER 45 -13.614 11.119 6.137
308 HA SER 45 HA SER 45 -14.796 10.578 3.612
309 HB2 SER 45 1HB SER 45 -15.598 8.651 5.150
310 HB3 SER 45 2HB SER 45 -16.613 9.878 5.907
311 HG SER 45 HG SER 45 -17.844 9.046 4.307
312 H GLY 46 H GLY 46 -16.480 12.057 3.082
313 HA2 GLY 46 1HA GLY 46 -16.190 14.635 3.927
314 HA3 GLY 46 2HA GLY 46 -17.684 14.016 3.241
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -7.234 -5.141 -22.072
2 HA2 GLY 1 1HA GLY 1 -6.475 -4.006 -24.178
3 HA3 GLY 1 2HA GLY 1 -5.773 -3.304 -22.728
4 H SER 2 H SER 2 -4.595 -3.107 -25.263
5 HA SER 2 HA SER 2 -2.752 -4.890 -26.104
6 HB2 SER 2 1HB SER 2 -1.314 -2.984 -26.755
7 HB3 SER 2 2HB SER 2 -3.011 -2.689 -27.135
8 HG SER 2 HG SER 2 -2.750 -0.934 -26.019
9 H SER 3 H SER 3 -1.201 -6.036 -25.180
10 HA SER 3 HA SER 3 -0.462 -6.059 -22.574
11 HB2 SER 3 1HB SER 3 1.273 -6.680 -24.973
12 HB3 SER 3 2HB SER 3 1.698 -7.103 -23.315
13 HG SER 3 HG SER 3 -0.772 -7.888 -24.421
14 H GLY 4 H GLY 4 0.625 -4.788 -21.216
15 HA2 GLY 4 1HA GLY 4 2.951 -3.404 -21.622
16 HA3 GLY 4 2HA GLY 4 1.694 -2.288 -22.135
17 H SER 5 H SER 5 3.248 -1.482 -20.117
18 HA SER 5 HA SER 5 1.637 -1.937 -17.692
19 HB2 SER 5 1HB SER 5 3.580 -1.422 -16.372
20 HB3 SER 5 2HB SER 5 4.062 -2.610 -17.583
21 HG SER 5 HG SER 5 4.914 -0.043 -17.221
22 H SER 6 H SER 6 0.828 -0.212 -16.575
23 HA SER 6 HA SER 6 1.128 2.416 -17.871
24 HB2 SER 6 1HB SER 6 -1.107 2.934 -16.848
25 HB3 SER 6 2HB SER 6 -1.147 1.642 -18.047
26 HG SER 6 HG SER 6 -0.735 0.904 -15.395
27 H GLY 7 H GLY 7 2.580 3.567 -16.757
28 HA2 GLY 7 1HA GLY 7 3.482 4.769 -15.016
29 HA3 GLY 7 2HA GLY 7 2.022 4.412 -14.105
30 H THR 8 H THR 8 4.865 4.453 -13.284
31 HA THR 8 HA THR 8 5.767 1.798 -12.880
32 HB THR 8 HB THR 8 7.277 3.744 -12.756
33 HG1 THR 8 HG1 THR 8 7.388 2.615 -10.189
34 HG21 THR 8 3HG2 THR 8 7.281 5.239 -10.896
35 HG22 THR 8 1HG2 THR 8 6.032 4.310 -10.068
36 HG23 THR 8 2HG2 THR 8 5.637 5.210 -11.533
37 H GLY 9 H GLY 9 5.821 0.570 -10.938
38 HA2 GLY 9 1HA GLY 9 3.351 0.657 -9.480
39 HA3 GLY 9 2HA GLY 9 4.659 -0.492 -9.247
40 H GLU 10 H GLU 10 3.305 0.477 -7.080
41 HA GLU 10 HA GLU 10 5.066 2.526 -5.927
42 HB2 GLU 10 1HB GLU 10 2.321 1.542 -5.165
43 HB3 GLU 10 2HB GLU 10 3.288 2.545 -4.092
44 HG2 GLU 10 1HG GLU 10 1.975 4.104 -5.144
45 HG3 GLU 10 2HG GLU 10 3.436 4.140 -6.130
46 H LYS 11 H LYS 11 5.271 2.187 -3.419
47 HA LYS 11 HA LYS 11 7.034 0.155 -2.925
48 HB2 LYS 11 1HB LYS 11 5.146 1.287 -0.856
49 HB3 LYS 11 2HB LYS 11 6.730 0.579 -0.568
50 HG2 LYS 11 1HG LYS 11 6.227 3.106 -2.127
51 HG3 LYS 11 2HG LYS 11 6.737 3.034 -0.438
52 HD2 LYS 11 1HD LYS 11 8.858 2.365 -0.964
53 HD3 LYS 11 2HD LYS 11 8.349 1.545 -2.443
54 HE2 LYS 11 1HE LYS 11 8.388 3.477 -3.687
55 HE3 LYS 11 2HE LYS 11 8.112 4.511 -2.287
56 HZ1 LYS 11 3HZ LYS 11 10.591 3.559 -3.410
57 HZ2 LYS 11 1HZ LYS 11 10.503 3.411 -1.727
58 HZ3 LYS 11 2HZ LYS 11 10.288 4.922 -2.455
59 HA PRO 12 HA PRO 12 4.748 -3.593 -2.668
60 HB2 PRO 12 1HB PRO 12 6.379 -5.012 -1.025
61 HB3 PRO 12 2HB PRO 12 6.779 -4.668 -2.712
62 HG2 PRO 12 1HG PRO 12 7.711 -3.288 -0.224
63 HG3 PRO 12 2HG PRO 12 8.641 -3.756 -1.659
64 HD2 PRO 12 1HD PRO 12 7.776 -1.224 -1.247
65 HD3 PRO 12 2HD PRO 12 7.934 -1.926 -2.870
66 H TYR 13 H TYR 13 5.251 -1.545 -0.012
67 HA TYR 13 HA TYR 13 3.164 -2.957 1.496
68 HB2 TYR 13 1HB TYR 13 5.556 -1.673 2.819
69 HB3 TYR 13 2HB TYR 13 4.301 -2.642 3.583
70 HD1 TYR 13 HD2 TYR 13 4.219 -5.091 3.183
71 HD2 TYR 13 HD1 TYR 13 7.425 -2.693 1.743
72 HE1 TYR 13 HE2 TYR 13 5.582 -7.114 2.864
73 HE2 TYR 13 HE1 TYR 13 8.796 -4.709 1.418
74 HH TYR 13 HH TYR 13 7.485 -7.943 2.053
75 H LYS 14 H LYS 14 1.517 -1.572 1.201
76 HA LYS 14 HA LYS 14 1.961 1.240 1.966
77 HB2 LYS 14 1HB LYS 14 1.542 1.234 -0.381
78 HB3 LYS 14 2HB LYS 14 0.209 0.100 -0.209
79 HG2 LYS 14 1HG LYS 14 -1.230 1.715 0.618
80 HG3 LYS 14 2HG LYS 14 0.088 2.787 1.097
81 HD2 LYS 14 1HD LYS 14 -0.639 3.860 -0.792
82 HD3 LYS 14 2HD LYS 14 0.574 2.788 -1.495
83 HE2 LYS 14 1HE LYS 14 -2.231 1.818 -1.246
84 HE3 LYS 14 2HE LYS 14 -1.845 2.975 -2.518
85 HZ1 LYS 14 3HZ LYS 14 -0.216 1.484 -3.397
86 HZ2 LYS 14 1HZ LYS 14 -1.666 0.631 -3.222
87 HZ3 LYS 14 2HZ LYS 14 -0.414 0.408 -2.107
88 H CYS 15 H CYS 15 0.684 2.040 3.524
89 HA CYS 15 HA CYS 15 -0.789 0.485 5.234
90 HB2 CYS 15 1HB CYS 15 -0.049 3.063 5.256
91 HB3 CYS 15 2HB CYS 15 -1.750 3.271 4.854
92 H ASP 16 H ASP 16 -3.057 0.266 5.632
93 HA ASP 16 HA ASP 16 -4.658 0.367 3.162
94 HB2 ASP 16 1HB ASP 16 -4.623 -1.563 5.464
95 HB3 ASP 16 2HB ASP 16 -6.057 -1.402 4.455
96 H VAL 17 H VAL 17 -4.218 2.337 5.495
97 HA VAL 17 HA VAL 17 -7.082 2.850 5.960
98 HB VAL 17 HB VAL 17 -6.477 2.249 8.099
99 HG11 VAL 17 1HG1 VAL 17 -3.807 3.612 7.768
100 HG12 VAL 17 2HG1 VAL 17 -4.329 2.615 9.128
101 HG13 VAL 17 3HG1 VAL 17 -4.091 1.886 7.539
102 HG21 VAL 17 3HG2 VAL 17 -6.285 4.260 9.435
103 HG22 VAL 17 1HG2 VAL 17 -5.707 5.165 8.035
104 HG23 VAL 17 2HG2 VAL 17 -7.361 4.553 8.068
105 H CYS 18 H CYS 18 -3.842 4.181 5.586
106 HA CYS 18 HA CYS 18 -5.060 6.776 4.899
107 HB2 CYS 18 1HB CYS 18 -3.158 7.912 5.780
108 HB3 CYS 18 2HB CYS 18 -3.659 6.749 7.003
109 H HIS 19 H HIS 19 -3.505 4.119 3.693
110 HA HIS 19 HA HIS 19 -2.552 3.628 1.686
111 HB2 HIS 19 1HB HIS 19 -3.461 6.428 0.987
112 HB3 HIS 19 2HB HIS 19 -2.848 5.253 -0.173
113 HD2 HIS 19 HD2 HIS 19 -5.311 3.863 2.461
114 HE1 HIS 19 HE1 HIS 19 -7.428 4.320 -1.187
115 HE2 HIS 19 HE2 HIS 19 -7.524 3.469 1.181
116 H LYS 20 H LYS 20 -0.745 4.146 3.534
117 HA LYS 20 HA LYS 20 1.141 6.102 2.424
118 HB2 LYS 20 1HB LYS 20 0.713 4.912 5.116
119 HB3 LYS 20 2HB LYS 20 2.366 5.318 4.671
120 HG2 LYS 20 1HG LYS 20 0.196 7.337 4.315
121 HG3 LYS 20 2HG LYS 20 0.889 7.053 5.913
122 HD2 LYS 20 1HD LYS 20 2.572 7.639 3.487
123 HD3 LYS 20 2HD LYS 20 1.942 8.907 4.542
124 HE2 LYS 20 1HE LYS 20 3.098 7.903 6.444
125 HE3 LYS 20 2HE LYS 20 3.706 6.616 5.405
126 HZ1 LYS 20 3HZ LYS 20 5.362 7.903 4.726
127 HZ2 LYS 20 1HZ LYS 20 4.925 9.018 5.921
128 HZ3 LYS 20 2HZ LYS 20 4.325 9.185 4.348
129 H SER 21 H SER 21 2.419 5.251 0.913
130 HA SER 21 HA SER 21 3.034 2.500 0.695
131 HB2 SER 21 1HB SER 21 4.463 3.122 -1.128
132 HB3 SER 21 2HB SER 21 3.056 4.185 -1.186
133 HG SER 21 HG SER 21 4.554 5.587 0.204
134 H PHE 22 H PHE 22 4.997 1.407 1.031
135 HA PHE 22 HA PHE 22 7.116 2.741 2.499
136 HB2 PHE 22 1HB PHE 22 5.520 0.465 3.691
137 HB3 PHE 22 2HB PHE 22 7.056 1.041 4.330
138 HD1 PHE 22 HD1 PHE 22 7.217 3.290 5.322
139 HD2 PHE 22 HD2 PHE 22 3.495 1.641 4.082
140 HE1 PHE 22 HE1 PHE 22 6.028 4.973 6.666
141 HE2 PHE 22 HE2 PHE 22 2.299 3.322 5.424
142 HZ PHE 22 HZ PHE 22 3.566 4.992 6.717
143 H ARG 23 H ARG 23 8.775 2.193 1.232
144 HA ARG 23 HA ARG 23 9.063 0.116 -0.493
145 HB2 ARG 23 1HB ARG 23 10.703 1.866 -0.423
146 HB3 ARG 23 2HB ARG 23 11.175 1.431 1.215
147 HG2 ARG 23 1HG ARG 23 12.340 -0.443 0.523
148 HG3 ARG 23 2HG ARG 23 11.468 -0.542 -1.008
149 HD2 ARG 23 1HD ARG 23 13.750 0.226 -1.361
150 HD3 ARG 23 2HD ARG 23 12.592 1.488 -1.779
151 HE ARG 23 HE ARG 23 13.240 2.023 0.806
152 HH11 ARG 23 1HH1 ARG 23 15.074 1.561 -2.116
153 HH12 ARG 23 2HH1 ARG 23 16.358 2.619 -1.633
154 HH21 ARG 23 1HH2 ARG 23 14.924 3.418 1.454
155 HH22 ARG 23 2HH2 ARG 23 16.272 3.674 0.399
156 H TYR 24 H TYR 24 9.470 0.028 2.983
157 HA TYR 24 HA TYR 24 10.032 -2.859 2.805
158 HB2 TYR 24 1HB TYR 24 10.783 -0.894 4.978
159 HB3 TYR 24 2HB TYR 24 11.041 -2.633 5.070
160 HD1 TYR 24 HD2 TYR 24 11.852 0.298 2.906
161 HD2 TYR 24 HD1 TYR 24 13.066 -3.510 4.363
162 HE1 TYR 24 HE2 TYR 24 14.024 0.567 1.783
163 HE2 TYR 24 HE1 TYR 24 15.242 -3.251 3.246
164 HH TYR 24 HH TYR 24 15.849 -0.778 0.957
165 H GLY 25 H GLY 25 8.960 -4.263 4.241
166 HA2 GLY 25 1HA GLY 25 6.263 -3.520 4.812
167 HA3 GLY 25 2HA GLY 25 7.025 -5.052 5.210
168 H SER 26 H SER 26 9.168 -3.901 6.762
169 HA SER 26 HA SER 26 7.955 -3.881 9.292
170 HB2 SER 26 1HB SER 26 10.126 -3.434 10.178
171 HB3 SER 26 2HB SER 26 10.370 -4.444 8.753
172 HG SER 26 HG SER 26 10.642 -2.323 7.633
173 H SER 27 H SER 27 9.079 -1.247 7.220
174 HA SER 27 HA SER 27 8.736 0.865 9.018
175 HB2 SER 27 1HB SER 27 8.376 0.922 6.011
176 HB3 SER 27 2HB SER 27 8.677 2.318 7.047
177 HG SER 27 HG SER 27 10.723 1.813 7.132
178 H LEU 28 H LEU 28 6.473 -0.487 6.633
179 HA LEU 28 HA LEU 28 4.346 1.231 6.962
180 HB2 LEU 28 1HB LEU 28 4.195 -0.373 5.259
181 HB3 LEU 28 2HB LEU 28 4.470 -1.708 6.376
182 HG LEU 28 HG LEU 28 2.230 -1.323 7.339
183 HD11 LEU 28 1HD1 LEU 28 0.977 0.455 6.870
184 HD12 LEU 28 2HD1 LEU 28 1.234 0.277 5.135
185 HD13 LEU 28 3HD1 LEU 28 2.414 1.145 6.116
186 HD21 LEU 28 3HD2 LEU 28 0.991 -1.897 5.100
187 HD22 LEU 28 1HD2 LEU 28 2.151 -3.025 5.802
188 HD23 LEU 28 2HD2 LEU 28 2.633 -1.986 4.461
189 H THR 29 H THR 29 4.694 -1.900 8.640
190 HA THR 29 HA THR 29 2.588 -1.667 10.395
191 HB THR 29 HB THR 29 5.270 -2.957 10.932
192 HG1 THR 29 HG1 THR 29 2.923 -4.352 10.253
193 HG21 THR 29 3HG2 THR 29 2.724 -3.823 12.226
194 HG22 THR 29 1HG2 THR 29 3.588 -2.436 12.887
195 HG23 THR 29 2HG2 THR 29 4.388 -4.005 12.783
196 H VAL 30 H VAL 30 5.978 -0.782 11.078
197 HA VAL 30 HA VAL 30 5.642 0.268 13.607
198 HB VAL 30 HB VAL 30 7.523 1.271 11.464
199 HG11 VAL 30 1HG1 VAL 30 8.896 2.030 13.390
200 HG12 VAL 30 2HG1 VAL 30 7.365 2.893 13.232
201 HG13 VAL 30 3HG1 VAL 30 7.548 1.638 14.457
202 HG21 VAL 30 3HG2 VAL 30 7.409 -1.199 12.880
203 HG22 VAL 30 1HG2 VAL 30 8.609 -0.649 11.710
204 HG23 VAL 30 2HG2 VAL 30 8.826 -0.301 13.425
205 H HIS 31 H HIS 31 4.529 1.518 10.617
206 HA HIS 31 HA HIS 31 4.188 4.220 11.654
207 HB2 HIS 31 1HB HIS 31 4.743 4.460 9.447
208 HB3 HIS 31 2HB HIS 31 4.004 2.930 8.983
209 HD1 HIS 31 HD1 HIS 31 3.379 6.551 9.124
210 HD2 HIS 31 HD2 HIS 31 1.156 3.081 8.594
211 HE1 HIS 31 HE1 HIS 31 1.166 7.305 8.199
212 H GLN 32 H GLN 32 2.229 1.464 10.609
213 HA GLN 32 HA GLN 32 -0.298 2.585 10.824
214 HB2 GLN 32 1HB GLN 32 0.473 -0.247 11.547
215 HB3 GLN 32 2HB GLN 32 -1.133 0.315 11.103
216 HG2 GLN 32 1HG GLN 32 -0.098 1.014 8.886
217 HG3 GLN 32 2HG GLN 32 1.294 0.044 9.365
218 HE21 GLN 32 1HE2 GLN 32 -1.974 0.019 8.274
219 HE22 GLN 32 2HE2 GLN 32 -2.106 -1.686 8.026
220 H ARG 33 H ARG 33 1.978 2.096 13.263
221 HA ARG 33 HA ARG 33 0.566 1.394 15.509
222 HB2 ARG 33 1HB ARG 33 2.785 3.412 15.177
223 HB3 ARG 33 2HB ARG 33 2.164 2.927 16.749
224 HG2 ARG 33 1HG ARG 33 2.673 0.515 15.858
225 HG3 ARG 33 2HG ARG 33 3.776 1.381 14.787
226 HD2 ARG 33 1HD ARG 33 5.179 1.019 16.546
227 HD3 ARG 33 2HD ARG 33 4.474 2.553 17.054
228 HE ARG 33 HE ARG 33 3.102 0.188 17.999
229 HH11 ARG 33 1HH1 ARG 33 5.522 2.607 18.639
230 HH12 ARG 33 2HH1 ARG 33 5.481 2.381 20.356
231 HH21 ARG 33 1HH2 ARG 33 3.039 -0.120 20.258
232 HH22 ARG 33 2HH2 ARG 33 4.070 0.828 21.276
233 H ILE 34 H ILE 34 0.668 4.529 13.898
234 HA ILE 34 HA ILE 34 -0.796 5.938 15.882
235 HB ILE 34 HB ILE 34 -0.771 7.759 14.467
236 HG12 ILE 34 1HG1 ILE 34 -2.103 6.614 12.680
237 HG13 ILE 34 2HG1 ILE 34 -0.857 7.693 12.061
238 HG21 ILE 34 1HG2 ILE 34 1.443 6.234 13.145
239 HG22 ILE 34 2HG2 ILE 34 1.395 7.929 13.627
240 HG23 ILE 34 3HG2 ILE 34 1.524 6.666 14.852
241 HD11 ILE 34 3HD1 ILE 34 -1.135 5.449 10.915
242 HD12 ILE 34 1HD1 ILE 34 0.500 5.914 11.384
243 HD13 ILE 34 2HD1 ILE 34 -0.399 4.747 12.356
244 H HIS 35 H HIS 35 -1.696 3.803 13.332
245 HA HIS 35 HA HIS 35 -4.440 4.710 13.205
246 HB2 HIS 35 1HB HIS 35 -3.035 2.335 11.972
247 HB3 HIS 35 2HB HIS 35 -4.732 2.722 11.705
248 HD1 HIS 35 HD1 HIS 35 -4.625 5.696 11.174
249 HD2 HIS 35 HD2 HIS 35 -1.846 3.016 9.638
250 HE1 HIS 35 HE1 HIS 35 -3.646 6.827 9.152
251 H THR 36 H THR 36 -2.614 2.650 15.176
252 HA THR 36 HA THR 36 -5.078 1.414 16.219
253 HB THR 36 HB THR 36 -3.690 -0.285 15.115
254 HG1 THR 36 HG1 THR 36 -4.624 -1.330 16.722
255 HG21 THR 36 3HG2 THR 36 -1.559 -0.344 17.082
256 HG22 THR 36 1HG2 THR 36 -1.553 1.154 16.153
257 HG23 THR 36 2HG2 THR 36 -1.467 -0.399 15.322
258 H GLY 37 H GLY 37 -5.545 2.188 18.166
259 HA2 GLY 37 1HA GLY 37 -3.859 2.057 20.380
260 HA3 GLY 37 2HA GLY 37 -3.729 3.688 19.736
261 H GLU 38 H GLU 38 -5.363 1.755 21.878
262 HA GLU 38 HA GLU 38 -7.339 3.826 22.347
263 HB2 GLU 38 1HB GLU 38 -8.054 1.023 21.528
264 HB3 GLU 38 2HB GLU 38 -9.135 1.974 22.537
265 HG2 GLU 38 1HG GLU 38 -9.329 3.657 20.831
266 HG3 GLU 38 2HG GLU 38 -8.131 2.834 19.835
267 H LYS 39 H LYS 39 -7.259 4.234 24.444
268 HA LYS 39 HA LYS 39 -6.100 2.353 26.290
269 HB2 LYS 39 1HB LYS 39 -7.239 5.128 26.611
270 HB3 LYS 39 2HB LYS 39 -6.641 4.186 27.971
271 HG2 LYS 39 1HG LYS 39 -4.772 5.381 27.489
272 HG3 LYS 39 2HG LYS 39 -4.500 3.989 26.438
273 HD2 LYS 39 1HD LYS 39 -5.707 5.343 24.635
274 HD3 LYS 39 2HD LYS 39 -5.487 6.731 25.703
275 HE2 LYS 39 1HE LYS 39 -3.158 6.640 25.532
276 HE3 LYS 39 2HE LYS 39 -3.176 4.982 24.933
277 HZ1 LYS 39 3HZ LYS 39 -2.993 7.237 23.412
278 HZ2 LYS 39 1HZ LYS 39 -4.608 6.771 23.224
279 HZ3 LYS 39 2HZ LYS 39 -3.367 5.686 22.848
280 HA PRO 40 HA PRO 40 -9.919 0.429 27.439
281 HB2 PRO 40 1HB PRO 40 -8.989 -0.881 29.628
282 HB3 PRO 40 2HB PRO 40 -8.645 -1.406 27.975
283 HG2 PRO 40 1HG PRO 40 -6.932 0.170 29.858
284 HG3 PRO 40 2HG PRO 40 -6.478 -1.166 28.785
285 HD2 PRO 40 1HD PRO 40 -6.010 1.427 28.161
286 HD3 PRO 40 2HD PRO 40 -6.361 0.197 26.930
287 H SER 41 H SER 41 -10.925 2.476 28.004
288 HA SER 41 HA SER 41 -11.475 2.636 30.836
289 HB2 SER 41 1HB SER 41 -10.792 4.873 31.201
290 HB3 SER 41 2HB SER 41 -9.431 4.112 30.376
291 HG SER 41 HG SER 41 -9.702 5.432 28.767
292 H GLY 42 H GLY 42 -13.548 3.169 31.178
293 HA2 GLY 42 1HA GLY 42 -15.118 5.043 29.985
294 HA3 GLY 42 2HA GLY 42 -15.239 3.667 28.899
295 HA PRO 43 HA PRO 43 -18.605 3.180 31.994
296 HB2 PRO 43 1HB PRO 43 -20.405 2.223 30.202
297 HB3 PRO 43 2HB PRO 43 -20.140 3.950 30.468
298 HG2 PRO 43 1HG PRO 43 -19.070 2.180 28.303
299 HG3 PRO 43 2HG PRO 43 -19.726 3.823 28.183
300 HD2 PRO 43 1HD PRO 43 -17.067 3.315 28.198
301 HD3 PRO 43 2HD PRO 43 -17.759 4.796 28.889
302 H SER 44 H SER 44 -19.030 1.349 33.102
303 HA SER 44 HA SER 44 -18.054 -1.176 31.953
304 HB2 SER 44 1HB SER 44 -18.157 -0.084 34.733
305 HB3 SER 44 2HB SER 44 -18.258 -1.831 34.514
306 HG SER 44 HG SER 44 -16.311 -1.369 33.056
307 H SER 45 H SER 45 -19.415 -2.813 31.587
308 HA SER 45 HA SER 45 -22.124 -2.655 32.733
309 HB2 SER 45 1HB SER 45 -21.260 -3.034 29.904
310 HB3 SER 45 2HB SER 45 -22.676 -3.929 30.457
311 HG SER 45 HG SER 45 -22.373 -1.137 30.825
312 H GLY 46 H GLY 46 -22.970 -4.509 33.544
313 HA2 GLY 46 1HA GLY 46 -23.061 -6.675 34.299
314 HA3 GLY 46 2HA GLY 46 -22.171 -7.118 32.849
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -10.314 5.582 -20.904
2 HA2 GLY 1 1HA GLY 1 -9.890 7.511 -22.779
3 HA3 GLY 1 2HA GLY 1 -10.442 7.872 -21.150
4 H SER 2 H SER 2 -9.114 8.925 -19.772
5 HA SER 2 HA SER 2 -6.365 9.441 -20.703
6 HB2 SER 2 1HB SER 2 -6.589 11.680 -19.571
7 HB3 SER 2 2HB SER 2 -7.625 11.470 -20.982
8 HG SER 2 HG SER 2 -8.857 10.637 -18.720
9 H SER 3 H SER 3 -8.352 8.275 -18.225
10 HA SER 3 HA SER 3 -6.787 8.878 -15.953
11 HB2 SER 3 1HB SER 3 -9.020 8.165 -15.565
12 HB3 SER 3 2HB SER 3 -8.801 6.706 -16.531
13 HG SER 3 HG SER 3 -7.389 5.932 -14.931
14 H GLY 4 H GLY 4 -5.148 7.785 -14.940
15 HA2 GLY 4 1HA GLY 4 -4.289 5.176 -15.656
16 HA3 GLY 4 2HA GLY 4 -3.298 6.382 -16.463
17 H SER 5 H SER 5 -1.401 6.301 -15.421
18 HA SER 5 HA SER 5 -1.448 6.513 -12.482
19 HB2 SER 5 1HB SER 5 -0.398 4.434 -13.590
20 HB3 SER 5 2HB SER 5 0.910 5.515 -14.071
21 HG SER 5 HG SER 5 0.823 4.281 -11.860
22 H SER 6 H SER 6 -0.193 8.047 -11.481
23 HA SER 6 HA SER 6 0.490 10.345 -13.055
24 HB2 SER 6 1HB SER 6 0.787 9.742 -10.106
25 HB3 SER 6 2HB SER 6 1.212 11.291 -10.834
26 HG SER 6 HG SER 6 -1.001 11.000 -9.908
27 H GLY 7 H GLY 7 2.345 8.093 -11.009
28 HA2 GLY 7 1HA GLY 7 4.699 8.661 -12.676
29 HA3 GLY 7 2HA GLY 7 4.833 8.819 -10.931
30 H THR 8 H THR 8 6.331 7.051 -12.635
31 HA THR 8 HA THR 8 5.262 4.395 -12.192
32 HB THR 8 HB THR 8 7.337 3.601 -13.265
33 HG1 THR 8 HG1 THR 8 8.047 6.273 -12.881
34 HG21 THR 8 3HG2 THR 8 5.276 4.486 -14.538
35 HG22 THR 8 1HG2 THR 8 6.776 4.257 -15.436
36 HG23 THR 8 2HG2 THR 8 6.293 5.874 -14.924
37 H GLY 9 H GLY 9 5.180 4.343 -9.898
38 HA2 GLY 9 1HA GLY 9 7.451 3.206 -8.673
39 HA3 GLY 9 2HA GLY 9 7.321 4.888 -8.181
40 H GLU 10 H GLU 10 6.645 1.880 -7.200
41 HA GLU 10 HA GLU 10 4.600 2.817 -5.357
42 HB2 GLU 10 1HB GLU 10 4.165 0.680 -7.405
43 HB3 GLU 10 2HB GLU 10 3.395 0.527 -5.832
44 HG2 GLU 10 1HG GLU 10 2.502 2.882 -6.232
45 HG3 GLU 10 2HG GLU 10 2.995 2.649 -7.908
46 H LYS 11 H LYS 11 4.577 1.726 -3.409
47 HA LYS 11 HA LYS 11 6.885 -0.005 -2.945
48 HB2 LYS 11 1HB LYS 11 5.018 1.178 -0.888
49 HB3 LYS 11 2HB LYS 11 6.614 0.492 -0.613
50 HG2 LYS 11 1HG LYS 11 6.121 2.952 -2.271
51 HG3 LYS 11 2HG LYS 11 6.510 2.984 -0.550
52 HD2 LYS 11 1HD LYS 11 8.676 2.349 -0.888
53 HD3 LYS 11 2HD LYS 11 8.291 1.417 -2.336
54 HE2 LYS 11 1HE LYS 11 8.287 4.429 -2.181
55 HE3 LYS 11 2HE LYS 11 9.629 3.460 -2.788
56 HZ1 LYS 11 3HZ LYS 11 6.982 3.033 -3.962
57 HZ2 LYS 11 1HZ LYS 11 8.511 2.922 -4.678
58 HZ3 LYS 11 2HZ LYS 11 7.820 4.438 -4.391
59 HA PRO 12 HA PRO 12 4.463 -3.672 -2.688
60 HB2 PRO 12 1HB PRO 12 6.111 -5.166 -1.132
61 HB3 PRO 12 2HB PRO 12 6.451 -4.815 -2.831
62 HG2 PRO 12 1HG PRO 12 7.535 -3.499 -0.370
63 HG3 PRO 12 2HG PRO 12 8.387 -3.981 -1.849
64 HD2 PRO 12 1HD PRO 12 7.629 -1.426 -1.372
65 HD3 PRO 12 2HD PRO 12 7.694 -2.113 -3.008
66 H TYR 13 H TYR 13 5.093 -1.643 -0.065
67 HA TYR 13 HA TYR 13 3.071 -3.042 1.542
68 HB2 TYR 13 1HB TYR 13 5.520 -1.743 2.741
69 HB3 TYR 13 2HB TYR 13 4.294 -2.690 3.577
70 HD1 TYR 13 HD2 TYR 13 4.180 -5.145 3.225
71 HD2 TYR 13 HD1 TYR 13 7.333 -2.794 1.603
72 HE1 TYR 13 HE2 TYR 13 5.515 -7.182 2.883
73 HE2 TYR 13 HE1 TYR 13 8.677 -4.825 1.255
74 HH TYR 13 HH TYR 13 7.340 -8.009 1.695
75 H LYS 14 H LYS 14 1.418 -1.651 1.237
76 HA LYS 14 HA LYS 14 1.876 1.160 1.998
77 HB2 LYS 14 1HB LYS 14 1.342 1.438 -0.217
78 HB3 LYS 14 2HB LYS 14 0.367 -0.025 -0.278
79 HG2 LYS 14 1HG LYS 14 -1.454 1.072 0.832
80 HG3 LYS 14 2HG LYS 14 -0.472 2.513 1.107
81 HD2 LYS 14 1HD LYS 14 -0.648 3.213 -1.057
82 HD3 LYS 14 2HD LYS 14 -0.776 1.571 -1.692
83 HE2 LYS 14 1HE LYS 14 -3.066 1.429 -0.808
84 HE3 LYS 14 2HE LYS 14 -2.932 3.087 -0.222
85 HZ1 LYS 14 3HZ LYS 14 -4.070 2.711 -2.449
86 HZ2 LYS 14 1HZ LYS 14 -2.523 2.425 -3.072
87 HZ3 LYS 14 2HZ LYS 14 -2.893 3.923 -2.380
88 H CYS 15 H CYS 15 0.560 2.018 3.510
89 HA CYS 15 HA CYS 15 -0.869 0.439 5.268
90 HB2 CYS 15 1HB CYS 15 -0.100 3.013 5.288
91 HB3 CYS 15 2HB CYS 15 -1.810 3.235 4.929
92 H ASP 16 H ASP 16 -3.065 0.048 5.624
93 HA ASP 16 HA ASP 16 -4.723 0.253 3.205
94 HB2 ASP 16 1HB ASP 16 -4.606 -1.717 5.460
95 HB3 ASP 16 2HB ASP 16 -6.109 -1.516 4.563
96 H VAL 17 H VAL 17 -4.262 2.238 5.489
97 HA VAL 17 HA VAL 17 -7.116 2.725 6.028
98 HB VAL 17 HB VAL 17 -6.448 2.133 8.155
99 HG11 VAL 17 1HG1 VAL 17 -4.067 1.820 7.538
100 HG12 VAL 17 2HG1 VAL 17 -3.815 3.551 7.767
101 HG13 VAL 17 3HG1 VAL 17 -4.287 2.540 9.133
102 HG21 VAL 17 3HG2 VAL 17 -5.766 5.070 8.032
103 HG22 VAL 17 1HG2 VAL 17 -7.390 4.396 8.169
104 HG23 VAL 17 2HG2 VAL 17 -6.227 4.169 9.476
105 H CYS 18 H CYS 18 -3.886 4.108 5.663
106 HA CYS 18 HA CYS 18 -5.143 6.680 4.961
107 HB2 CYS 18 1HB CYS 18 -3.224 7.831 5.793
108 HB3 CYS 18 2HB CYS 18 -3.700 6.674 7.032
109 H HIS 19 H HIS 19 -3.550 4.034 3.746
110 HA HIS 19 HA HIS 19 -2.669 3.549 1.703
111 HB2 HIS 19 1HB HIS 19 -3.457 6.376 0.967
112 HB3 HIS 19 2HB HIS 19 -3.056 5.079 -0.155
113 HD2 HIS 19 HD2 HIS 19 -5.545 4.501 2.820
114 HE1 HIS 19 HE1 HIS 19 -7.686 4.275 -0.836
115 HE2 HIS 19 HE2 HIS 19 -7.819 4.059 1.670
116 H LYS 20 H LYS 20 -0.862 4.137 3.594
117 HA LYS 20 HA LYS 20 1.034 6.046 2.430
118 HB2 LYS 20 1HB LYS 20 0.621 4.881 5.133
119 HB3 LYS 20 2HB LYS 20 2.275 5.264 4.672
120 HG2 LYS 20 1HG LYS 20 0.107 7.295 4.342
121 HG3 LYS 20 2HG LYS 20 0.861 7.030 5.916
122 HD2 LYS 20 1HD LYS 20 2.466 7.559 3.428
123 HD3 LYS 20 2HD LYS 20 1.858 8.860 4.454
124 HE2 LYS 20 1HE LYS 20 3.022 7.758 6.380
125 HE3 LYS 20 2HE LYS 20 3.757 6.649 5.224
126 HZ1 LYS 20 3HZ LYS 20 5.321 8.151 4.860
127 HZ2 LYS 20 1HZ LYS 20 4.582 9.238 5.926
128 HZ3 LYS 20 2HZ LYS 20 4.163 9.244 4.287
129 H SER 21 H SER 21 2.250 5.155 0.885
130 HA SER 21 HA SER 21 2.871 2.404 0.709
131 HB2 SER 21 1HB SER 21 4.350 3.037 -1.122
132 HB3 SER 21 2HB SER 21 2.839 3.939 -1.240
133 HG SER 21 HG SER 21 5.181 4.954 -0.007
134 H PHE 22 H PHE 22 4.860 1.330 0.995
135 HA PHE 22 HA PHE 22 6.999 2.698 2.402
136 HB2 PHE 22 1HB PHE 22 5.451 0.418 3.646
137 HB3 PHE 22 2HB PHE 22 7.001 1.002 4.242
138 HD1 PHE 22 HD1 PHE 22 7.179 3.252 5.225
139 HD2 PHE 22 HD2 PHE 22 3.431 1.592 4.080
140 HE1 PHE 22 HE1 PHE 22 6.019 4.937 6.593
141 HE2 PHE 22 HE2 PHE 22 2.265 3.274 5.445
142 HZ PHE 22 HZ PHE 22 3.559 4.950 6.703
143 H ARG 23 H ARG 23 8.741 2.114 1.301
144 HA ARG 23 HA ARG 23 8.968 0.005 -0.468
145 HB2 ARG 23 1HB ARG 23 10.549 1.812 -0.526
146 HB3 ARG 23 2HB ARG 23 11.104 1.448 1.103
147 HG2 ARG 23 1HG ARG 23 12.411 -0.278 0.425
148 HG3 ARG 23 2HG ARG 23 11.353 -0.695 -0.924
149 HD2 ARG 23 1HD ARG 23 12.150 1.617 -1.862
150 HD3 ARG 23 2HD ARG 23 13.502 1.368 -0.758
151 HE ARG 23 HE ARG 23 13.465 -0.952 -2.071
152 HH11 ARG 23 1HH1 ARG 23 13.263 2.327 -3.223
153 HH12 ARG 23 2HH1 ARG 23 14.021 1.978 -4.742
154 HH21 ARG 23 1HH2 ARG 23 14.464 -1.424 -4.067
155 HH22 ARG 23 2HH2 ARG 23 14.703 -0.156 -5.221
156 H TYR 24 H TYR 24 9.359 0.034 2.988
157 HA TYR 24 HA TYR 24 10.118 -2.813 2.902
158 HB2 TYR 24 1HB TYR 24 10.768 -0.685 4.943
159 HB3 TYR 24 2HB TYR 24 11.009 -2.404 5.238
160 HD1 TYR 24 HD2 TYR 24 11.837 0.135 2.615
161 HD2 TYR 24 HD1 TYR 24 13.124 -3.236 4.870
162 HE1 TYR 24 HE2 TYR 24 14.044 0.266 1.539
163 HE2 TYR 24 HE1 TYR 24 15.336 -3.113 3.802
164 HH TYR 24 HH TYR 24 16.153 -0.497 1.564
165 H GLY 25 H GLY 25 8.998 -4.268 4.159
166 HA2 GLY 25 1HA GLY 25 6.299 -3.671 4.740
167 HA3 GLY 25 2HA GLY 25 7.147 -5.139 5.202
168 H SER 26 H SER 26 9.141 -4.002 6.826
169 HA SER 26 HA SER 26 7.824 -3.879 9.290
170 HB2 SER 26 1HB SER 26 10.611 -3.139 8.421
171 HB3 SER 26 2HB SER 26 10.086 -2.925 10.091
172 HG SER 26 HG SER 26 9.698 -5.126 10.222
173 H SER 27 H SER 27 9.113 -1.297 7.236
174 HA SER 27 HA SER 27 8.730 0.872 8.913
175 HB2 SER 27 1HB SER 27 8.348 0.795 5.909
176 HB3 SER 27 2HB SER 27 8.625 2.244 6.876
177 HG SER 27 HG SER 27 10.660 1.386 7.445
178 H LEU 28 H LEU 28 6.433 -0.542 6.595
179 HA LEU 28 HA LEU 28 4.317 1.191 6.905
180 HB2 LEU 28 1HB LEU 28 4.154 -0.463 5.244
181 HB3 LEU 28 2HB LEU 28 4.411 -1.766 6.403
182 HG LEU 28 HG LEU 28 2.176 -1.301 7.360
183 HD11 LEU 28 1HD1 LEU 28 1.011 0.515 6.845
184 HD12 LEU 28 2HD1 LEU 28 1.132 0.170 5.121
185 HD13 LEU 28 3HD1 LEU 28 2.404 1.086 5.927
186 HD21 LEU 28 3HD2 LEU 28 0.967 -1.914 5.068
187 HD22 LEU 28 1HD2 LEU 28 1.978 -3.064 5.944
188 HD23 LEU 28 2HD2 LEU 28 2.638 -2.179 4.568
189 H THR 29 H THR 29 4.675 -1.898 8.657
190 HA THR 29 HA THR 29 2.588 -1.598 10.434
191 HB THR 29 HB THR 29 5.256 -2.922 10.961
192 HG1 THR 29 HG1 THR 29 4.429 -4.606 9.929
193 HG21 THR 29 3HG2 THR 29 3.577 -2.338 12.914
194 HG22 THR 29 1HG2 THR 29 4.391 -3.900 12.850
195 HG23 THR 29 2HG2 THR 29 2.724 -3.751 12.295
196 H VAL 30 H VAL 30 6.002 -0.751 11.040
197 HA VAL 30 HA VAL 30 5.734 0.347 13.555
198 HB VAL 30 HB VAL 30 7.577 1.273 11.347
199 HG11 VAL 30 1HG1 VAL 30 7.611 1.788 14.314
200 HG12 VAL 30 2HG1 VAL 30 8.998 2.058 13.257
201 HG13 VAL 30 3HG1 VAL 30 7.510 2.975 13.014
202 HG21 VAL 30 3HG2 VAL 30 7.524 -1.078 13.061
203 HG22 VAL 30 1HG2 VAL 30 8.474 -0.755 11.610
204 HG23 VAL 30 2HG2 VAL 30 9.038 -0.181 13.180
205 H HIS 31 H HIS 31 4.522 1.537 10.591
206 HA HIS 31 HA HIS 31 4.239 4.266 11.589
207 HB2 HIS 31 1HB HIS 31 4.751 4.487 9.373
208 HB3 HIS 31 2HB HIS 31 4.016 2.946 8.939
209 HD1 HIS 31 HD1 HIS 31 3.377 6.562 9.022
210 HD2 HIS 31 HD2 HIS 31 1.155 3.076 8.607
211 HE1 HIS 31 HE1 HIS 31 1.144 7.291 8.122
212 H GLN 32 H GLN 32 2.249 1.505 10.622
213 HA GLN 32 HA GLN 32 -0.268 2.641 10.856
214 HB2 GLN 32 1HB GLN 32 0.498 -0.180 11.624
215 HB3 GLN 32 2HB GLN 32 -1.110 0.382 11.187
216 HG2 GLN 32 1HG GLN 32 -0.100 1.027 8.945
217 HG3 GLN 32 2HG GLN 32 1.296 0.066 9.428
218 HE21 GLN 32 1HE2 GLN 32 -1.935 0.028 8.288
219 HE22 GLN 32 2HE2 GLN 32 -2.091 -1.684 8.112
220 H ARG 33 H ARG 33 2.044 2.184 13.269
221 HA ARG 33 HA ARG 33 0.671 1.531 15.550
222 HB2 ARG 33 1HB ARG 33 2.823 3.630 15.227
223 HB3 ARG 33 2HB ARG 33 2.299 2.963 16.768
224 HG2 ARG 33 1HG ARG 33 2.908 0.681 15.714
225 HG3 ARG 33 2HG ARG 33 3.836 1.652 14.569
226 HD2 ARG 33 1HD ARG 33 4.139 2.095 17.511
227 HD3 ARG 33 2HD ARG 33 4.975 0.754 16.730
228 HE ARG 33 HE ARG 33 6.351 2.265 15.642
229 HH11 ARG 33 1HH1 ARG 33 3.813 3.927 17.349
230 HH12 ARG 33 2HH1 ARG 33 4.546 5.488 17.186
231 HH21 ARG 33 1HH2 ARG 33 7.327 4.315 15.420
232 HH22 ARG 33 2HH2 ARG 33 6.545 5.708 16.087
233 H ILE 34 H ILE 34 0.744 4.637 13.881
234 HA ILE 34 HA ILE 34 -0.677 6.092 15.855
235 HB ILE 34 HB ILE 34 -0.715 7.868 14.379
236 HG12 ILE 34 1HG1 ILE 34 -2.073 6.636 12.664
237 HG13 ILE 34 2HG1 ILE 34 -0.868 7.725 11.985
238 HG21 ILE 34 1HG2 ILE 34 1.484 6.327 13.052
239 HG22 ILE 34 2HG2 ILE 34 1.430 8.033 13.492
240 HG23 ILE 34 3HG2 ILE 34 1.601 6.804 14.745
241 HD11 ILE 34 3HD1 ILE 34 -0.344 4.797 12.349
242 HD12 ILE 34 1HD1 ILE 34 -1.115 5.449 10.904
243 HD13 ILE 34 2HD1 ILE 34 0.519 5.953 11.336
244 H HIS 35 H HIS 35 -1.647 3.909 13.359
245 HA HIS 35 HA HIS 35 -4.397 4.791 13.307
246 HB2 HIS 35 1HB HIS 35 -3.021 2.384 12.102
247 HB3 HIS 35 2HB HIS 35 -4.727 2.760 11.874
248 HD1 HIS 35 HD1 HIS 35 -4.669 5.701 11.233
249 HD2 HIS 35 HD2 HIS 35 -1.876 3.015 9.735
250 HE1 HIS 35 HE1 HIS 35 -3.747 6.778 9.156
251 H THR 36 H THR 36 -2.494 2.736 15.237
252 HA THR 36 HA THR 36 -4.910 1.451 16.335
253 HB THR 36 HB THR 36 -3.373 -0.200 15.405
254 HG1 THR 36 HG1 THR 36 -4.243 -1.173 17.099
255 HG21 THR 36 3HG2 THR 36 -1.129 -0.488 16.207
256 HG22 THR 36 1HG2 THR 36 -1.340 0.788 17.406
257 HG23 THR 36 2HG2 THR 36 -1.310 1.188 15.688
258 H GLY 37 H GLY 37 -5.457 1.940 18.362
259 HA2 GLY 37 1HA GLY 37 -4.607 2.122 20.696
260 HA3 GLY 37 2HA GLY 37 -3.417 3.246 20.057
261 H GLU 38 H GLU 38 -6.850 3.076 19.235
262 HA GLU 38 HA GLU 38 -7.281 5.611 20.654
263 HB2 GLU 38 1HB GLU 38 -7.969 5.019 17.775
264 HB3 GLU 38 2HB GLU 38 -8.672 6.355 18.676
265 HG2 GLU 38 1HG GLU 38 -6.709 7.537 18.730
266 HG3 GLU 38 2HG GLU 38 -5.710 6.095 18.557
267 H LYS 39 H LYS 39 -9.403 5.990 21.345
268 HA LYS 39 HA LYS 39 -10.907 3.626 21.921
269 HB2 LYS 39 1HB LYS 39 -11.216 6.541 22.540
270 HB3 LYS 39 2HB LYS 39 -12.563 5.446 22.820
271 HG2 LYS 39 1HG LYS 39 -11.385 4.230 24.438
272 HG3 LYS 39 2HG LYS 39 -9.834 4.912 23.943
273 HD2 LYS 39 1HD LYS 39 -10.765 7.164 24.664
274 HD3 LYS 39 2HD LYS 39 -12.076 6.262 25.428
275 HE2 LYS 39 1HE LYS 39 -10.504 6.606 27.135
276 HE3 LYS 39 2HE LYS 39 -10.251 4.940 26.616
277 HZ1 LYS 39 3HZ LYS 39 -8.631 7.270 25.739
278 HZ2 LYS 39 1HZ LYS 39 -8.375 5.657 25.295
279 HZ3 LYS 39 2HZ LYS 39 -8.161 6.136 26.903
280 HA PRO 40 HA PRO 40 -13.491 3.639 18.336
281 HB2 PRO 40 1HB PRO 40 -15.396 1.938 19.259
282 HB3 PRO 40 2HB PRO 40 -13.793 1.398 18.744
283 HG2 PRO 40 1HG PRO 40 -14.823 1.907 21.509
284 HG3 PRO 40 2HG PRO 40 -13.822 0.568 20.916
285 HD2 PRO 40 1HD PRO 40 -12.785 2.680 22.257
286 HD3 PRO 40 2HD PRO 40 -11.886 1.815 20.994
287 H SER 41 H SER 41 -14.265 5.770 18.348
288 HA SER 41 HA SER 41 -17.027 6.054 19.008
289 HB2 SER 41 1HB SER 41 -15.702 6.475 21.206
290 HB3 SER 41 2HB SER 41 -15.256 8.006 20.454
291 HG SER 41 HG SER 41 -17.921 7.093 20.800
292 H GLY 42 H GLY 42 -17.957 7.977 18.147
293 HA2 GLY 42 1HA GLY 42 -16.255 9.850 16.734
294 HA3 GLY 42 2HA GLY 42 -17.201 8.793 15.696
295 HA PRO 43 HA PRO 43 -19.629 12.581 17.340
296 HB2 PRO 43 1HB PRO 43 -19.342 14.259 15.225
297 HB3 PRO 43 2HB PRO 43 -18.246 14.265 16.612
298 HG2 PRO 43 1HG PRO 43 -17.894 12.992 13.926
299 HG3 PRO 43 2HG PRO 43 -16.722 13.907 14.893
300 HD2 PRO 43 1HD PRO 43 -16.732 11.201 14.791
301 HD3 PRO 43 2HD PRO 43 -16.234 12.100 16.239
302 H SER 44 H SER 44 -21.722 12.198 17.029
303 HA SER 44 HA SER 44 -22.730 11.833 14.305
304 HB2 SER 44 1HB SER 44 -23.449 9.980 16.590
305 HB3 SER 44 2HB SER 44 -24.075 9.901 14.943
306 HG SER 44 HG SER 44 -22.417 8.435 15.097
307 H SER 45 H SER 45 -24.079 13.493 14.094
308 HA SER 45 HA SER 45 -25.970 14.037 16.290
309 HB2 SER 45 1HB SER 45 -24.170 15.814 15.741
310 HB3 SER 45 2HB SER 45 -25.125 16.123 14.291
311 HG SER 45 HG SER 45 -25.578 16.905 16.834
312 H GLY 46 H GLY 46 -27.820 13.089 15.669
313 HA2 GLY 46 1HA GLY 46 -28.778 12.352 13.274
314 HA3 GLY 46 2HA GLY 46 -29.834 13.012 14.514
Start of MODEL 4
1 H1 GLY 1 H GLY 1 5.278 19.884 -12.242
2 HA2 GLY 1 1HA GLY 1 3.019 19.616 -10.901
3 HA3 GLY 1 2HA GLY 1 3.068 20.658 -12.316
4 H SER 2 H SER 2 3.237 17.126 -12.219
5 HA SER 2 HA SER 2 0.768 17.063 -13.823
6 HB2 SER 2 1HB SER 2 1.583 15.143 -14.943
7 HB3 SER 2 2HB SER 2 2.968 16.230 -14.841
8 HG SER 2 HG SER 2 2.436 13.886 -13.372
9 H SER 3 H SER 3 -0.969 16.154 -12.953
10 HA SER 3 HA SER 3 -0.636 14.553 -10.513
11 HB2 SER 3 1HB SER 3 -2.863 16.268 -11.569
12 HB3 SER 3 2HB SER 3 -3.205 15.008 -10.384
13 HG SER 3 HG SER 3 -1.539 16.013 -9.073
14 H GLY 4 H GLY 4 -2.269 12.788 -10.198
15 HA2 GLY 4 1HA GLY 4 -3.781 11.197 -11.219
16 HA3 GLY 4 2HA GLY 4 -2.971 11.490 -12.751
17 H SER 5 H SER 5 -3.110 9.000 -12.473
18 HA SER 5 HA SER 5 -2.143 6.988 -11.891
19 HB2 SER 5 1HB SER 5 0.109 6.804 -12.765
20 HB3 SER 5 2HB SER 5 -0.816 7.883 -13.808
21 HG SER 5 HG SER 5 1.093 8.904 -13.431
22 H SER 6 H SER 6 -2.575 8.480 -9.578
23 HA SER 6 HA SER 6 -0.259 7.665 -7.957
24 HB2 SER 6 1HB SER 6 -1.844 10.228 -7.759
25 HB3 SER 6 2HB SER 6 -0.820 9.637 -6.451
26 HG SER 6 HG SER 6 0.731 10.596 -7.483
27 H GLY 7 H GLY 7 -0.718 6.502 -6.171
28 HA2 GLY 7 1HA GLY 7 -2.378 6.288 -4.280
29 HA3 GLY 7 2HA GLY 7 -3.579 6.108 -5.550
30 H THR 8 H THR 8 -2.094 4.458 -7.294
31 HA THR 8 HA THR 8 -2.788 1.946 -6.624
32 HB THR 8 HB THR 8 -0.233 2.685 -8.064
33 HG1 THR 8 HG1 THR 8 -2.606 3.267 -8.768
34 HG21 THR 8 3HG2 THR 8 -1.329 0.131 -7.317
35 HG22 THR 8 1HG2 THR 8 0.182 0.495 -8.149
36 HG23 THR 8 2HG2 THR 8 -1.308 0.296 -9.073
37 H GLY 9 H GLY 9 0.264 3.509 -5.699
38 HA2 GLY 9 1HA GLY 9 1.297 3.129 -3.588
39 HA3 GLY 9 2HA GLY 9 0.497 1.566 -3.511
40 H GLU 10 H GLU 10 3.127 3.369 -4.993
41 HA GLU 10 HA GLU 10 4.283 1.424 -6.570
42 HB2 GLU 10 1HB GLU 10 4.973 3.889 -6.167
43 HB3 GLU 10 2HB GLU 10 5.967 3.240 -4.871
44 HG2 GLU 10 1HG GLU 10 6.147 2.213 -7.682
45 HG3 GLU 10 2HG GLU 10 7.075 3.605 -7.125
46 H LYS 11 H LYS 11 5.330 2.183 -3.244
47 HA LYS 11 HA LYS 11 7.004 0.029 -2.857
48 HB2 LYS 11 1HB LYS 11 5.219 1.183 -0.713
49 HB3 LYS 11 2HB LYS 11 6.785 0.412 -0.498
50 HG2 LYS 11 1HG LYS 11 6.231 3.070 -1.792
51 HG3 LYS 11 2HG LYS 11 7.054 2.773 -0.259
52 HD2 LYS 11 1HD LYS 11 8.916 1.780 -1.359
53 HD3 LYS 11 2HD LYS 11 8.060 1.734 -2.902
54 HE2 LYS 11 1HE LYS 11 9.485 3.564 -3.120
55 HE3 LYS 11 2HE LYS 11 7.942 4.292 -2.675
56 HZ1 LYS 11 3HZ LYS 11 8.769 5.040 -0.756
57 HZ2 LYS 11 1HZ LYS 11 10.291 4.771 -1.444
58 HZ3 LYS 11 2HZ LYS 11 9.606 3.608 -0.426
59 HA PRO 12 HA PRO 12 4.436 -3.544 -2.741
60 HB2 PRO 12 1HB PRO 12 6.026 -5.175 -1.264
61 HB3 PRO 12 2HB PRO 12 6.374 -4.761 -2.947
62 HG2 PRO 12 1HG PRO 12 7.522 -3.605 -0.436
63 HG3 PRO 12 2HG PRO 12 8.347 -4.054 -1.940
64 HD2 PRO 12 1HD PRO 12 7.698 -1.494 -1.343
65 HD3 PRO 12 2HD PRO 12 7.728 -2.108 -3.009
66 H TYR 13 H TYR 13 5.187 -1.683 -0.017
67 HA TYR 13 HA TYR 13 3.122 -3.079 1.540
68 HB2 TYR 13 1HB TYR 13 5.589 -1.862 2.784
69 HB3 TYR 13 2HB TYR 13 4.365 -2.851 3.571
70 HD1 TYR 13 HD2 TYR 13 4.201 -5.289 2.974
71 HD2 TYR 13 HD1 TYR 13 7.446 -2.848 1.704
72 HE1 TYR 13 HE2 TYR 13 5.533 -7.306 2.521
73 HE2 TYR 13 HE1 TYR 13 8.788 -4.858 1.247
74 HH TYR 13 HH TYR 13 8.748 -7.351 2.189
75 H LYS 14 H LYS 14 1.551 -1.579 1.065
76 HA LYS 14 HA LYS 14 2.047 1.164 2.025
77 HB2 LYS 14 1HB LYS 14 1.636 1.323 -0.297
78 HB3 LYS 14 2HB LYS 14 0.334 0.143 -0.230
79 HG2 LYS 14 1HG LYS 14 -1.049 1.731 1.005
80 HG3 LYS 14 2HG LYS 14 0.259 2.916 0.945
81 HD2 LYS 14 1HD LYS 14 -1.047 3.580 -0.837
82 HD3 LYS 14 2HD LYS 14 0.116 2.517 -1.633
83 HE2 LYS 14 1HE LYS 14 -2.009 1.920 -2.479
84 HE3 LYS 14 2HE LYS 14 -1.568 0.658 -1.329
85 HZ1 LYS 14 3HZ LYS 14 -3.725 2.580 -1.222
86 HZ2 LYS 14 1HZ LYS 14 -2.891 2.382 0.237
87 HZ3 LYS 14 2HZ LYS 14 -3.604 1.047 -0.518
88 H CYS 15 H CYS 15 0.673 2.034 3.494
89 HA CYS 15 HA CYS 15 -0.786 0.465 5.215
90 HB2 CYS 15 1HB CYS 15 -0.081 3.042 5.239
91 HB3 CYS 15 2HB CYS 15 -1.767 3.240 4.774
92 H ASP 16 H ASP 16 -3.080 0.288 5.606
93 HA ASP 16 HA ASP 16 -4.641 0.311 3.107
94 HB2 ASP 16 1HB ASP 16 -4.076 -1.925 4.290
95 HB3 ASP 16 2HB ASP 16 -5.290 -1.432 5.468
96 H VAL 17 H VAL 17 -4.249 2.273 5.485
97 HA VAL 17 HA VAL 17 -7.125 2.780 5.873
98 HB VAL 17 HB VAL 17 -6.579 2.184 8.025
99 HG11 VAL 17 1HG1 VAL 17 -4.427 2.654 9.112
100 HG12 VAL 17 2HG1 VAL 17 -4.226 1.731 7.622
101 HG13 VAL 17 3HG1 VAL 17 -3.872 3.459 7.645
102 HG21 VAL 17 3HG2 VAL 17 -5.813 5.102 7.939
103 HG22 VAL 17 1HG2 VAL 17 -7.456 4.466 8.026
104 HG23 VAL 17 2HG2 VAL 17 -6.340 4.212 9.367
105 H CYS 18 H CYS 18 -3.884 4.126 5.576
106 HA CYS 18 HA CYS 18 -5.088 6.742 4.950
107 HB2 CYS 18 1HB CYS 18 -3.156 7.825 5.791
108 HB3 CYS 18 2HB CYS 18 -3.555 6.588 6.979
109 H HIS 19 H HIS 19 -3.319 4.107 3.749
110 HA HIS 19 HA HIS 19 -2.585 3.640 1.635
111 HB2 HIS 19 1HB HIS 19 -3.189 6.475 0.816
112 HB3 HIS 19 2HB HIS 19 -3.148 5.030 -0.190
113 HD2 HIS 19 HD2 HIS 19 -5.245 3.227 1.655
114 HE1 HIS 19 HE1 HIS 19 -7.927 6.406 0.820
115 HE2 HIS 19 HE2 HIS 19 -7.698 4.047 1.672
116 H LYS 20 H LYS 20 -0.748 4.210 3.518
117 HA LYS 20 HA LYS 20 1.154 6.082 2.297
118 HB2 LYS 20 1HB LYS 20 0.764 5.002 5.047
119 HB3 LYS 20 2HB LYS 20 2.399 5.422 4.555
120 HG2 LYS 20 1HG LYS 20 0.175 7.378 4.172
121 HG3 LYS 20 2HG LYS 20 0.926 7.179 5.757
122 HD2 LYS 20 1HD LYS 20 2.469 7.745 3.230
123 HD3 LYS 20 2HD LYS 20 1.913 8.999 4.342
124 HE2 LYS 20 1HE LYS 20 3.147 7.653 6.149
125 HE3 LYS 20 2HE LYS 20 3.938 6.832 4.805
126 HZ1 LYS 20 3HZ LYS 20 3.924 9.744 4.732
127 HZ2 LYS 20 1HZ LYS 20 5.135 8.654 4.275
128 HZ3 LYS 20 2HZ LYS 20 4.904 9.025 5.909
129 H SER 21 H SER 21 2.415 5.148 0.823
130 HA SER 21 HA SER 21 2.990 2.377 0.738
131 HB2 SER 21 1HB SER 21 4.700 4.424 -0.642
132 HB3 SER 21 2HB SER 21 4.200 2.830 -1.207
133 HG SER 21 HG SER 21 2.978 5.229 -1.519
134 H PHE 22 H PHE 22 4.909 1.266 1.156
135 HA PHE 22 HA PHE 22 7.078 2.663 2.499
136 HB2 PHE 22 1HB PHE 22 5.479 0.469 3.831
137 HB3 PHE 22 2HB PHE 22 7.027 1.066 4.419
138 HD1 PHE 22 HD1 PHE 22 7.218 3.356 5.297
139 HD2 PHE 22 HD2 PHE 22 3.467 1.687 4.174
140 HE1 PHE 22 HE1 PHE 22 6.058 5.119 6.563
141 HE2 PHE 22 HE2 PHE 22 2.301 3.447 5.437
142 HZ PHE 22 HZ PHE 22 3.597 5.167 6.634
143 H ARG 23 H ARG 23 8.692 2.037 1.204
144 HA ARG 23 HA ARG 23 8.874 -0.260 -0.313
145 HB2 ARG 23 1HB ARG 23 10.416 1.924 -0.052
146 HB3 ARG 23 2HB ARG 23 11.409 0.773 0.831
147 HG2 ARG 23 1HG ARG 23 10.376 0.062 -1.876
148 HG3 ARG 23 2HG ARG 23 11.773 1.128 -1.715
149 HD2 ARG 23 1HD ARG 23 11.771 -1.375 -0.125
150 HD3 ARG 23 2HD ARG 23 11.997 -1.523 -1.867
151 HE ARG 23 HE ARG 23 13.916 -0.636 0.005
152 HH11 ARG 23 1HH1 ARG 23 12.726 0.022 -3.201
153 HH12 ARG 23 2HH1 ARG 23 14.234 0.659 -3.770
154 HH21 ARG 23 1HH2 ARG 23 15.905 0.200 -0.734
155 HH22 ARG 23 2HH2 ARG 23 16.041 0.759 -2.366
156 H TYR 24 H TYR 24 9.497 0.181 3.076
157 HA TYR 24 HA TYR 24 10.541 -2.561 3.268
158 HB2 TYR 24 1HB TYR 24 10.570 -0.697 5.598
159 HB3 TYR 24 2HB TYR 24 11.716 -1.958 5.158
160 HD1 TYR 24 HD1 TYR 24 12.004 -0.963 2.225
161 HD2 TYR 24 HD2 TYR 24 12.248 0.981 6.002
162 HE1 TYR 24 HE1 TYR 24 13.497 0.731 1.250
163 HE2 TYR 24 HE2 TYR 24 13.740 2.681 5.037
164 HH TYR 24 HH TYR 24 14.963 3.256 3.249
165 H GLY 25 H GLY 25 9.196 -4.090 3.935
166 HA2 GLY 25 1HA GLY 25 6.542 -3.736 4.611
167 HA3 GLY 25 2HA GLY 25 7.486 -5.155 5.041
168 H SER 26 H SER 26 9.339 -3.883 6.767
169 HA SER 26 HA SER 26 7.899 -3.962 9.187
170 HB2 SER 26 1HB SER 26 10.305 -4.510 9.010
171 HB3 SER 26 2HB SER 26 10.656 -2.813 8.681
172 HG SER 26 HG SER 26 9.169 -3.334 10.962
173 H SER 27 H SER 27 9.157 -1.268 7.268
174 HA SER 27 HA SER 27 8.677 0.837 8.986
175 HB2 SER 27 1HB SER 27 8.355 0.769 5.977
176 HB3 SER 27 2HB SER 27 8.443 2.240 6.945
177 HG SER 27 HG SER 27 10.534 1.816 7.420
178 H LEU 28 H LEU 28 6.438 -0.475 6.544
179 HA LEU 28 HA LEU 28 4.263 1.121 6.911
180 HB2 LEU 28 1HB LEU 28 4.133 -0.520 5.244
181 HB3 LEU 28 2HB LEU 28 4.466 -1.824 6.382
182 HG LEU 28 HG LEU 28 2.220 -1.440 7.385
183 HD11 LEU 28 1HD1 LEU 28 0.911 0.262 6.805
184 HD12 LEU 28 2HD1 LEU 28 1.149 -0.041 5.085
185 HD13 LEU 28 3HD1 LEU 28 2.313 0.939 5.976
186 HD21 LEU 28 3HD2 LEU 28 2.767 -2.428 4.672
187 HD22 LEU 28 1HD2 LEU 28 1.070 -2.102 5.025
188 HD23 LEU 28 2HD2 LEU 28 1.982 -3.223 6.037
189 H THR 29 H THR 29 4.598 -2.007 8.595
190 HA THR 29 HA THR 29 2.541 -1.752 10.386
191 HB THR 29 HB THR 29 5.233 -3.030 10.903
192 HG1 THR 29 HG1 THR 29 3.917 -3.805 9.082
193 HG21 THR 29 3HG2 THR 29 2.722 -3.916 12.237
194 HG22 THR 29 1HG2 THR 29 3.547 -2.490 12.865
195 HG23 THR 29 2HG2 THR 29 4.393 -4.036 12.787
196 H VAL 30 H VAL 30 5.930 -0.810 10.982
197 HA VAL 30 HA VAL 30 5.600 0.263 13.520
198 HB VAL 30 HB VAL 30 7.506 1.183 11.362
199 HG11 VAL 30 1HG1 VAL 30 7.494 1.667 14.337
200 HG12 VAL 30 2HG1 VAL 30 8.875 1.983 13.284
201 HG13 VAL 30 3HG1 VAL 30 7.369 2.873 13.056
202 HG21 VAL 30 3HG2 VAL 30 8.381 -0.855 11.642
203 HG22 VAL 30 1HG2 VAL 30 8.915 -0.280 13.222
204 HG23 VAL 30 2HG2 VAL 30 7.400 -1.171 13.073
205 H HIS 31 H HIS 31 4.573 1.491 10.476
206 HA HIS 31 HA HIS 31 4.259 4.213 11.447
207 HB2 HIS 31 1HB HIS 31 4.788 4.379 9.229
208 HB3 HIS 31 2HB HIS 31 4.025 2.844 8.821
209 HD1 HIS 31 HD1 HIS 31 3.438 6.480 8.882
210 HD2 HIS 31 HD2 HIS 31 1.187 3.017 8.426
211 HE1 HIS 31 HE1 HIS 31 1.228 7.232 7.947
212 H GLN 32 H GLN 32 2.208 1.503 10.428
213 HA GLN 32 HA GLN 32 -0.279 2.687 10.683
214 HB2 GLN 32 1HB GLN 32 0.399 -0.161 11.431
215 HB3 GLN 32 2HB GLN 32 -1.179 0.453 10.955
216 HG2 GLN 32 1HG GLN 32 -0.123 1.067 8.742
217 HG3 GLN 32 2HG GLN 32 1.269 0.113 9.252
218 HE21 GLN 32 1HE2 GLN 32 -2.026 0.045 8.205
219 HE22 GLN 32 2HE2 GLN 32 -2.136 -1.662 7.966
220 H ARG 33 H ARG 33 2.011 2.113 13.101
221 HA ARG 33 HA ARG 33 0.595 1.477 15.363
222 HB2 ARG 33 1HB ARG 33 2.918 3.351 14.962
223 HB3 ARG 33 2HB ARG 33 2.266 3.010 16.560
224 HG2 ARG 33 1HG ARG 33 2.604 0.510 15.760
225 HG3 ARG 33 2HG ARG 33 3.815 1.271 14.727
226 HD2 ARG 33 1HD ARG 33 5.043 0.768 16.616
227 HD3 ARG 33 2HD ARG 33 4.570 2.438 16.922
228 HE ARG 33 HE ARG 33 2.787 0.436 18.005
229 HH11 ARG 33 1HH1 ARG 33 5.548 2.483 18.560
230 HH12 ARG 33 2HH1 ARG 33 5.392 2.446 20.285
231 HH21 ARG 33 1HH2 ARG 33 2.571 0.380 20.275
232 HH22 ARG 33 2HH2 ARG 33 3.699 1.249 21.260
233 H ILE 34 H ILE 34 0.750 4.568 13.695
234 HA ILE 34 HA ILE 34 -0.571 6.089 15.692
235 HB ILE 34 HB ILE 34 -0.587 7.854 14.200
236 HG12 ILE 34 1HG1 ILE 34 -2.010 6.625 12.522
237 HG13 ILE 34 2HG1 ILE 34 -0.809 7.704 11.820
238 HG21 ILE 34 1HG2 ILE 34 1.535 7.907 13.166
239 HG22 ILE 34 2HG2 ILE 34 1.699 6.835 14.556
240 HG23 ILE 34 3HG2 ILE 34 1.549 6.159 12.935
241 HD11 ILE 34 3HD1 ILE 34 0.560 5.912 11.161
242 HD12 ILE 34 1HD1 ILE 34 -0.327 4.764 12.163
243 HD13 ILE 34 2HD1 ILE 34 -1.085 5.450 10.725
244 H HIS 35 H HIS 35 -1.673 3.961 13.187
245 HA HIS 35 HA HIS 35 -4.390 4.926 13.207
246 HB2 HIS 35 1HB HIS 35 -3.125 2.466 11.986
247 HB3 HIS 35 2HB HIS 35 -4.821 2.897 11.794
248 HD1 HIS 35 HD1 HIS 35 -4.734 5.802 11.098
249 HD2 HIS 35 HD2 HIS 35 -1.961 3.079 9.629
250 HE1 HIS 35 HE1 HIS 35 -3.811 6.845 9.005
251 H THR 36 H THR 36 -2.517 2.757 15.067
252 HA THR 36 HA THR 36 -4.954 1.573 16.227
253 HB THR 36 HB THR 36 -3.468 -0.119 15.283
254 HG1 THR 36 HG1 THR 36 -4.592 -0.641 17.215
255 HG21 THR 36 3HG2 THR 36 -1.354 0.367 17.300
256 HG22 THR 36 1HG2 THR 36 -1.406 1.468 15.925
257 HG23 THR 36 2HG2 THR 36 -1.230 -0.267 15.659
258 H GLY 37 H GLY 37 -5.520 2.471 18.094
259 HA2 GLY 37 1HA GLY 37 -3.915 2.562 20.365
260 HA3 GLY 37 2HA GLY 37 -3.814 4.148 19.614
261 H GLU 38 H GLU 38 -5.332 5.598 20.105
262 HA GLU 38 HA GLU 38 -8.009 4.775 20.831
263 HB2 GLU 38 1HB GLU 38 -6.255 6.228 22.819
264 HB3 GLU 38 2HB GLU 38 -7.977 5.932 23.008
265 HG2 GLU 38 1HG GLU 38 -7.636 3.581 23.166
266 HG3 GLU 38 2HG GLU 38 -5.939 3.743 22.716
267 H LYS 39 H LYS 39 -9.500 6.549 20.956
268 HA LYS 39 HA LYS 39 -9.025 8.552 19.035
269 HB2 LYS 39 1HB LYS 39 -11.195 7.929 20.972
270 HB3 LYS 39 2HB LYS 39 -11.160 9.551 20.294
271 HG2 LYS 39 1HG LYS 39 -11.214 8.598 18.036
272 HG3 LYS 39 2HG LYS 39 -11.286 6.978 18.733
273 HD2 LYS 39 1HD LYS 39 -13.515 7.515 18.227
274 HD3 LYS 39 2HD LYS 39 -13.370 7.787 19.965
275 HE2 LYS 39 1HE LYS 39 -13.006 10.195 19.508
276 HE3 LYS 39 2HE LYS 39 -13.283 9.880 17.795
277 HZ1 LYS 39 3HZ LYS 39 -15.433 8.769 19.097
278 HZ2 LYS 39 1HZ LYS 39 -15.422 10.209 18.208
279 HZ3 LYS 39 2HZ LYS 39 -15.178 10.247 19.881
280 HA PRO 40 HA PRO 40 -7.202 11.885 21.228
281 HB2 PRO 40 1HB PRO 40 -8.514 14.041 20.228
282 HB3 PRO 40 2HB PRO 40 -7.335 13.114 19.291
283 HG2 PRO 40 1HG PRO 40 -10.325 12.968 19.250
284 HG3 PRO 40 2HG PRO 40 -9.185 12.950 17.892
285 HD2 PRO 40 1HD PRO 40 -10.330 10.697 18.862
286 HD3 PRO 40 2HD PRO 40 -8.697 10.714 18.168
287 H SER 41 H SER 41 -7.517 13.505 22.847
288 HA SER 41 HA SER 41 -9.438 12.890 24.773
289 HB2 SER 41 1HB SER 41 -8.668 14.842 25.965
290 HB3 SER 41 2HB SER 41 -7.276 14.093 25.185
291 HG SER 41 HG SER 41 -7.570 15.654 23.477
292 H GLY 42 H GLY 42 -10.931 14.669 25.724
293 HA2 GLY 42 1HA GLY 42 -12.362 16.045 23.545
294 HA3 GLY 42 2HA GLY 42 -13.238 15.006 24.659
295 HA PRO 43 HA PRO 43 -12.251 19.436 26.374
296 HB2 PRO 43 1HB PRO 43 -13.998 21.044 25.059
297 HB3 PRO 43 2HB PRO 43 -12.337 20.781 24.514
298 HG2 PRO 43 1HG PRO 43 -14.870 19.510 23.551
299 HG3 PRO 43 2HG PRO 43 -13.498 20.123 22.610
300 HD2 PRO 43 1HD PRO 43 -13.842 17.489 23.138
301 HD3 PRO 43 2HD PRO 43 -12.236 18.229 22.981
302 H SER 44 H SER 44 -13.650 20.594 27.822
303 HA SER 44 HA SER 44 -15.736 18.972 28.889
304 HB2 SER 44 1HB SER 44 -16.031 20.857 30.502
305 HB3 SER 44 2HB SER 44 -14.365 20.291 30.388
306 HG SER 44 HG SER 44 -14.023 22.364 30.105
307 H SER 45 H SER 45 -17.210 18.820 27.129
308 HA SER 45 HA SER 45 -18.436 21.059 25.919
309 HB2 SER 45 1HB SER 45 -19.252 18.163 26.152
310 HB3 SER 45 2HB SER 45 -20.221 19.348 25.277
311 HG SER 45 HG SER 45 -18.717 18.200 23.939
312 H GLY 46 H GLY 46 -20.425 22.041 26.281
313 HA2 GLY 46 1HA GLY 46 -22.161 22.875 27.528
314 HA3 GLY 46 2HA GLY 46 -22.301 21.267 28.222
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -15.119 13.629 -14.148
2 HA2 GLY 1 1HA GLY 1 -14.517 12.943 -11.996
3 HA3 GLY 1 2HA GLY 1 -15.147 11.342 -12.355
4 H SER 2 H SER 2 -12.374 13.240 -12.035
5 HA SER 2 HA SER 2 -10.651 11.609 -13.676
6 HB2 SER 2 1HB SER 2 -8.827 12.979 -12.626
7 HB3 SER 2 2HB SER 2 -10.069 13.935 -13.434
8 HG SER 2 HG SER 2 -9.310 14.478 -11.149
9 H SER 3 H SER 3 -11.053 9.531 -12.780
10 HA SER 3 HA SER 3 -10.118 9.088 -10.041
11 HB2 SER 3 1HB SER 3 -12.326 8.129 -10.988
12 HB3 SER 3 2HB SER 3 -11.295 6.973 -11.832
13 HG SER 3 HG SER 3 -10.823 7.333 -9.115
14 H GLY 4 H GLY 4 -8.126 9.781 -11.845
15 HA2 GLY 4 1HA GLY 4 -6.844 7.612 -13.098
16 HA3 GLY 4 2HA GLY 4 -6.066 9.106 -12.598
17 H SER 5 H SER 5 -4.205 7.844 -12.052
18 HA SER 5 HA SER 5 -4.162 7.084 -9.303
19 HB2 SER 5 1HB SER 5 -3.459 4.736 -9.639
20 HB3 SER 5 2HB SER 5 -5.109 5.015 -10.196
21 HG SER 5 HG SER 5 -4.502 4.681 -12.205
22 H SER 6 H SER 6 -2.251 7.709 -8.564
23 HA SER 6 HA SER 6 -0.175 8.587 -10.265
24 HB2 SER 6 1HB SER 6 -0.598 9.476 -7.973
25 HB3 SER 6 2HB SER 6 0.004 7.957 -7.309
26 HG SER 6 HG SER 6 1.676 9.451 -7.358
27 H GLY 7 H GLY 7 0.480 6.909 -11.606
28 HA2 GLY 7 1HA GLY 7 1.398 4.408 -10.468
29 HA3 GLY 7 2HA GLY 7 1.411 4.850 -12.169
30 H THR 8 H THR 8 2.924 6.123 -9.199
31 HA THR 8 HA THR 8 5.544 5.801 -10.481
32 HB THR 8 HB THR 8 4.711 8.325 -9.039
33 HG1 THR 8 HG1 THR 8 5.371 8.248 -11.770
34 HG21 THR 8 3HG2 THR 8 7.245 7.474 -10.427
35 HG22 THR 8 1HG2 THR 8 7.044 7.994 -8.754
36 HG23 THR 8 2HG2 THR 8 6.870 9.159 -10.067
37 H GLY 9 H GLY 9 6.909 4.765 -9.185
38 HA2 GLY 9 1HA GLY 9 7.831 3.835 -7.299
39 HA3 GLY 9 2HA GLY 9 7.425 5.355 -6.517
40 H GLU 10 H GLU 10 6.182 2.154 -7.341
41 HA GLU 10 HA GLU 10 4.106 2.456 -5.289
42 HB2 GLU 10 1HB GLU 10 3.557 1.666 -7.654
43 HB3 GLU 10 2HB GLU 10 4.380 0.170 -7.233
44 HG2 GLU 10 1HG GLU 10 2.196 -0.361 -6.790
45 HG3 GLU 10 2HG GLU 10 2.761 0.158 -5.204
46 H LYS 11 H LYS 11 4.883 1.937 -3.340
47 HA LYS 11 HA LYS 11 6.939 0.002 -2.927
48 HB2 LYS 11 1HB LYS 11 5.066 1.119 -0.840
49 HB3 LYS 11 2HB LYS 11 6.676 0.457 -0.591
50 HG2 LYS 11 1HG LYS 11 6.119 2.946 -2.187
51 HG3 LYS 11 2HG LYS 11 6.535 2.942 -0.471
52 HD2 LYS 11 1HD LYS 11 8.699 2.211 -0.866
53 HD3 LYS 11 2HD LYS 11 8.289 1.529 -2.441
54 HE2 LYS 11 1HE LYS 11 9.442 3.423 -3.055
55 HE3 LYS 11 2HE LYS 11 7.782 4.015 -3.061
56 HZ1 LYS 11 3HZ LYS 11 9.786 5.216 -1.775
57 HZ2 LYS 11 1HZ LYS 11 9.174 4.247 -0.530
58 HZ3 LYS 11 2HZ LYS 11 8.163 5.352 -1.316
59 HA PRO 12 HA PRO 12 4.571 -3.697 -2.698
60 HB2 PRO 12 1HB PRO 12 6.173 -5.161 -1.067
61 HB3 PRO 12 2HB PRO 12 6.578 -4.814 -2.753
62 HG2 PRO 12 1HG PRO 12 7.543 -3.470 -0.258
63 HG3 PRO 12 2HG PRO 12 8.461 -3.950 -1.698
64 HD2 PRO 12 1HD PRO 12 7.651 -1.402 -1.268
65 HD3 PRO 12 2HD PRO 12 7.792 -2.098 -2.896
66 H TYR 13 H TYR 13 5.113 -1.672 -0.036
67 HA TYR 13 HA TYR 13 3.017 -3.065 1.479
68 HB2 TYR 13 1HB TYR 13 5.429 -1.789 2.774
69 HB3 TYR 13 2HB TYR 13 4.161 -2.719 3.564
70 HD1 TYR 13 HD2 TYR 13 4.021 -5.176 3.190
71 HD2 TYR 13 HD1 TYR 13 7.279 -2.862 1.727
72 HE1 TYR 13 HE2 TYR 13 5.342 -7.230 2.900
73 HE2 TYR 13 HE1 TYR 13 8.609 -4.910 1.432
74 HH TYR 13 HH TYR 13 7.580 -7.965 2.681
75 H LYS 14 H LYS 14 1.367 -1.683 1.206
76 HA LYS 14 HA LYS 14 1.822 1.135 1.938
77 HB2 LYS 14 1HB LYS 14 1.375 1.105 -0.406
78 HB3 LYS 14 2HB LYS 14 0.040 -0.022 -0.204
79 HG2 LYS 14 1HG LYS 14 -1.401 1.599 0.535
80 HG3 LYS 14 2HG LYS 14 -0.102 2.633 1.136
81 HD2 LYS 14 1HD LYS 14 -0.755 3.791 -0.742
82 HD3 LYS 14 2HD LYS 14 0.539 2.786 -1.399
83 HE2 LYS 14 1HE LYS 14 -1.127 1.162 -2.169
84 HE3 LYS 14 2HE LYS 14 -2.414 2.178 -1.522
85 HZ1 LYS 14 3HZ LYS 14 -1.882 3.883 -3.076
86 HZ2 LYS 14 1HZ LYS 14 -2.030 2.437 -3.942
87 HZ3 LYS 14 2HZ LYS 14 -0.497 3.068 -3.604
88 H CYS 15 H CYS 15 0.587 1.931 3.525
89 HA CYS 15 HA CYS 15 -0.870 0.402 5.261
90 HB2 CYS 15 1HB CYS 15 -0.131 2.968 5.269
91 HB3 CYS 15 2HB CYS 15 -1.824 3.191 4.842
92 H ASP 16 H ASP 16 -3.165 0.287 5.722
93 HA ASP 16 HA ASP 16 -4.783 0.298 3.260
94 HB2 ASP 16 1HB ASP 16 -5.188 -1.433 5.707
95 HB3 ASP 16 2HB ASP 16 -6.059 -1.543 4.180
96 H VAL 17 H VAL 17 -4.301 2.330 5.533
97 HA VAL 17 HA VAL 17 -7.155 2.883 6.011
98 HB VAL 17 HB VAL 17 -6.527 2.340 8.161
99 HG11 VAL 17 1HG1 VAL 17 -4.371 2.698 9.150
100 HG12 VAL 17 2HG1 VAL 17 -4.138 1.970 7.559
101 HG13 VAL 17 3HG1 VAL 17 -3.861 3.697 7.789
102 HG21 VAL 17 3HG2 VAL 17 -6.243 4.417 9.427
103 HG22 VAL 17 1HG2 VAL 17 -5.795 5.259 7.943
104 HG23 VAL 17 2HG2 VAL 17 -7.424 4.610 8.131
105 H CYS 18 H CYS 18 -3.902 4.197 5.621
106 HA CYS 18 HA CYS 18 -5.111 6.769 4.838
107 HB2 CYS 18 1HB CYS 18 -3.200 7.922 5.680
108 HB3 CYS 18 2HB CYS 18 -3.710 6.803 6.940
109 H HIS 19 H HIS 19 -3.593 4.069 3.701
110 HA HIS 19 HA HIS 19 -2.628 3.513 1.717
111 HB2 HIS 19 1HB HIS 19 -3.675 6.250 0.993
112 HB3 HIS 19 2HB HIS 19 -2.873 5.198 -0.169
113 HD2 HIS 19 HD2 HIS 19 -5.568 3.882 2.374
114 HE1 HIS 19 HE1 HIS 19 -7.069 3.495 -1.575
115 HE2 HIS 19 HE2 HIS 19 -7.512 3.078 0.869
116 H LYS 20 H LYS 20 -0.814 4.094 3.534
117 HA LYS 20 HA LYS 20 1.057 6.025 2.358
118 HB2 LYS 20 1HB LYS 20 0.651 4.907 5.083
119 HB3 LYS 20 2HB LYS 20 2.299 5.306 4.617
120 HG2 LYS 20 1HG LYS 20 0.123 7.308 4.218
121 HG3 LYS 20 2HG LYS 20 0.822 7.069 5.821
122 HD2 LYS 20 1HD LYS 20 2.498 7.591 3.376
123 HD3 LYS 20 2HD LYS 20 1.865 8.888 4.393
124 HE2 LYS 20 1HE LYS 20 2.957 7.537 6.329
125 HE3 LYS 20 2HE LYS 20 3.895 6.787 5.039
126 HZ1 LYS 20 3HZ LYS 20 3.713 9.725 5.318
127 HZ2 LYS 20 1HZ LYS 20 4.859 8.817 4.466
128 HZ3 LYS 20 2HZ LYS 20 4.874 8.825 6.157
129 H SER 21 H SER 21 2.327 5.139 0.861
130 HA SER 21 HA SER 21 2.954 2.386 0.714
131 HB2 SER 21 1HB SER 21 4.335 2.952 -1.149
132 HB3 SER 21 2HB SER 21 2.957 4.051 -1.202
133 HG SER 21 HG SER 21 5.532 4.636 -0.157
134 H PHE 22 H PHE 22 4.940 1.320 1.044
135 HA PHE 22 HA PHE 22 7.048 2.706 2.482
136 HB2 PHE 22 1HB PHE 22 5.492 0.421 3.707
137 HB3 PHE 22 2HB PHE 22 7.025 1.024 4.331
138 HD1 PHE 22 HD1 PHE 22 7.163 3.273 5.314
139 HD2 PHE 22 HD2 PHE 22 3.454 1.586 4.084
140 HE1 PHE 22 HE1 PHE 22 5.959 4.955 6.647
141 HE2 PHE 22 HE2 PHE 22 2.244 3.265 5.414
142 HZ PHE 22 HZ PHE 22 3.497 4.953 6.698
143 H ARG 23 H ARG 23 8.707 2.170 1.209
144 HA ARG 23 HA ARG 23 9.010 0.059 -0.482
145 HB2 ARG 23 1HB ARG 23 10.612 1.823 -0.527
146 HB3 ARG 23 2HB ARG 23 11.094 1.517 1.136
147 HG2 ARG 23 1HG ARG 23 12.396 -0.274 0.580
148 HG3 ARG 23 2HG ARG 23 11.447 -0.657 -0.858
149 HD2 ARG 23 1HD ARG 23 13.256 1.739 -0.573
150 HD3 ARG 23 2HD ARG 23 13.703 0.232 -1.371
151 HE ARG 23 HE ARG 23 11.318 1.514 -2.390
152 HH11 ARG 23 1HH1 ARG 23 14.766 1.127 -2.666
153 HH12 ARG 23 2HH1 ARG 23 14.825 1.649 -4.317
154 HH21 ARG 23 1HH2 ARG 23 11.381 2.204 -4.564
155 HH22 ARG 23 2HH2 ARG 23 12.898 2.263 -5.395
156 H TYR 24 H TYR 24 9.470 0.073 2.987
157 HA TYR 24 HA TYR 24 10.170 -2.787 2.878
158 HB2 TYR 24 1HB TYR 24 10.780 -0.701 4.977
159 HB3 TYR 24 2HB TYR 24 11.056 -2.424 5.207
160 HD1 TYR 24 HD2 TYR 24 11.888 0.313 2.803
161 HD2 TYR 24 HD1 TYR 24 13.143 -3.280 4.704
162 HE1 TYR 24 HE2 TYR 24 14.097 0.532 1.745
163 HE2 TYR 24 HE1 TYR 24 15.357 -3.070 3.653
164 HH TYR 24 HH TYR 24 16.779 -1.359 2.684
165 H GLY 25 H GLY 25 9.093 -4.243 4.212
166 HA2 GLY 25 1HA GLY 25 6.363 -3.661 4.726
167 HA3 GLY 25 2HA GLY 25 7.212 -5.125 5.197
168 H SER 26 H SER 26 9.183 -3.977 6.842
169 HA SER 26 HA SER 26 7.832 -3.856 9.291
170 HB2 SER 26 1HB SER 26 10.210 -4.500 9.059
171 HB3 SER 26 2HB SER 26 10.611 -2.831 8.655
172 HG SER 26 HG SER 26 10.484 -2.312 10.693
173 H SER 27 H SER 27 9.115 -1.287 7.224
174 HA SER 27 HA SER 27 8.743 0.892 8.895
175 HB2 SER 27 1HB SER 27 8.366 0.794 5.891
176 HB3 SER 27 2HB SER 27 8.632 2.252 6.847
177 HG SER 27 HG SER 27 10.570 1.475 5.911
178 H LEU 28 H LEU 28 6.440 -0.574 6.622
179 HA LEU 28 HA LEU 28 4.324 1.175 6.905
180 HB2 LEU 28 1HB LEU 28 4.173 -0.509 5.265
181 HB3 LEU 28 2HB LEU 28 4.408 -1.792 6.449
182 HG LEU 28 HG LEU 28 2.172 -1.316 7.372
183 HD11 LEU 28 1HD1 LEU 28 0.990 0.489 6.842
184 HD12 LEU 28 2HD1 LEU 28 1.202 0.207 5.114
185 HD13 LEU 28 3HD1 LEU 28 2.430 1.092 6.019
186 HD21 LEU 28 3HD2 LEU 28 2.361 -1.931 4.430
187 HD22 LEU 28 1HD2 LEU 28 0.885 -2.122 5.377
188 HD23 LEU 28 2HD2 LEU 28 2.317 -3.073 5.775
189 H THR 29 H THR 29 4.660 -1.905 8.679
190 HA THR 29 HA THR 29 2.588 -1.579 10.461
191 HB THR 29 HB THR 29 5.254 -2.908 10.979
192 HG1 THR 29 HG1 THR 29 2.995 -3.600 9.562
193 HG21 THR 29 3HG2 THR 29 2.707 -3.624 12.376
194 HG22 THR 29 1HG2 THR 29 3.691 -2.290 12.976
195 HG23 THR 29 2HG2 THR 29 4.375 -3.912 12.872
196 H VAL 30 H VAL 30 6.001 -0.702 11.022
197 HA VAL 30 HA VAL 30 5.765 0.402 13.537
198 HB VAL 30 HB VAL 30 7.553 1.316 11.280
199 HG11 VAL 30 1HG1 VAL 30 8.968 2.279 13.048
200 HG12 VAL 30 2HG1 VAL 30 7.384 3.053 12.966
201 HG13 VAL 30 3HG1 VAL 30 7.730 1.881 14.238
202 HG21 VAL 30 3HG2 VAL 30 9.061 -0.043 13.154
203 HG22 VAL 30 1HG2 VAL 30 7.567 -0.976 13.065
204 HG23 VAL 30 2HG2 VAL 30 8.508 -0.676 11.604
205 H HIS 31 H HIS 31 4.551 1.603 10.557
206 HA HIS 31 HA HIS 31 4.230 4.318 11.558
207 HB2 HIS 31 1HB HIS 31 4.674 4.531 9.328
208 HB3 HIS 31 2HB HIS 31 3.956 2.973 8.927
209 HD1 HIS 31 HD1 HIS 31 3.206 6.589 9.128
210 HD2 HIS 31 HD2 HIS 31 1.134 3.038 8.531
211 HE1 HIS 31 HE1 HIS 31 0.952 7.267 8.244
212 H GLN 32 H GLN 32 2.193 1.595 10.533
213 HA GLN 32 HA GLN 32 -0.303 2.718 10.902
214 HB2 GLN 32 1HB GLN 32 0.411 -0.129 11.609
215 HB3 GLN 32 2HB GLN 32 -1.160 0.481 11.106
216 HG2 GLN 32 1HG GLN 32 -0.054 1.116 8.918
217 HG3 GLN 32 2HG GLN 32 1.319 0.146 9.450
218 HE21 GLN 32 1HE2 GLN 32 -2.080 0.071 8.610
219 HE22 GLN 32 2HE2 GLN 32 -2.150 -1.616 8.248
220 H ARG 33 H ARG 33 2.074 2.124 13.236
221 HA ARG 33 HA ARG 33 0.745 1.422 15.527
222 HB2 ARG 33 1HB ARG 33 2.976 3.422 15.156
223 HB3 ARG 33 2HB ARG 33 2.428 2.869 16.732
224 HG2 ARG 33 1HG ARG 33 2.894 0.505 15.819
225 HG3 ARG 33 2HG ARG 33 3.843 1.341 14.588
226 HD2 ARG 33 1HD ARG 33 5.420 2.048 16.087
227 HD3 ARG 33 2HD ARG 33 4.285 2.065 17.436
228 HE ARG 33 HE ARG 33 4.478 -0.549 16.944
229 HH11 ARG 33 1HH1 ARG 33 6.924 1.910 17.242
230 HH12 ARG 33 2HH1 ARG 33 8.126 0.824 17.855
231 HH21 ARG 33 1HH2 ARG 33 6.052 -1.989 17.751
232 HH22 ARG 33 2HH2 ARG 33 7.630 -1.394 18.144
233 H ILE 34 H ILE 34 0.570 4.422 13.781
234 HA ILE 34 HA ILE 34 -0.688 5.894 15.908
235 HB ILE 34 HB ILE 34 -0.744 7.718 14.487
236 HG12 ILE 34 1HG1 ILE 34 -2.091 6.445 12.739
237 HG13 ILE 34 2HG1 ILE 34 -0.994 7.679 12.129
238 HG21 ILE 34 1HG2 ILE 34 1.377 7.764 13.272
239 HG22 ILE 34 2HG2 ILE 34 1.555 6.995 14.848
240 HG23 ILE 34 3HG2 ILE 34 1.483 6.008 13.389
241 HD11 ILE 34 3HD1 ILE 34 0.607 5.998 11.495
242 HD12 ILE 34 1HD1 ILE 34 -0.391 4.733 12.212
243 HD13 ILE 34 2HD1 ILE 34 -0.966 5.615 10.797
244 H HIS 35 H HIS 35 -1.717 3.892 13.258
245 HA HIS 35 HA HIS 35 -4.455 4.771 13.309
246 HB2 HIS 35 1HB HIS 35 -3.139 2.380 12.008
247 HB3 HIS 35 2HB HIS 35 -4.831 2.819 11.795
248 HD1 HIS 35 HD1 HIS 35 -4.779 5.719 11.183
249 HD2 HIS 35 HD2 HIS 35 -1.872 3.121 9.748
250 HE1 HIS 35 HE1 HIS 35 -3.796 6.858 9.168
251 H THR 36 H THR 36 -2.567 2.684 15.189
252 HA THR 36 HA THR 36 -4.997 1.462 16.326
253 HB THR 36 HB THR 36 -3.650 -0.227 15.129
254 HG1 THR 36 HG1 THR 36 -3.138 -1.149 17.609
255 HG21 THR 36 3HG2 THR 36 -1.464 1.095 15.864
256 HG22 THR 36 1HG2 THR 36 -1.434 -0.632 15.514
257 HG23 THR 36 2HG2 THR 36 -1.509 -0.073 17.185
258 H GLY 37 H GLY 37 -3.881 3.919 17.176
259 HA2 GLY 37 1HA GLY 37 -2.731 3.157 19.790
260 HA3 GLY 37 2HA GLY 37 -2.374 4.670 18.972
261 H GLU 38 H GLU 38 -3.708 6.398 19.237
262 HA GLU 38 HA GLU 38 -6.069 5.975 20.951
263 HB2 GLU 38 1HB GLU 38 -3.900 8.023 21.053
264 HB3 GLU 38 2HB GLU 38 -5.521 8.500 21.538
265 HG2 GLU 38 1HG GLU 38 -4.124 6.108 22.692
266 HG3 GLU 38 2HG GLU 38 -3.972 7.727 23.372
267 H LYS 39 H LYS 39 -7.797 6.147 19.674
268 HA LYS 39 HA LYS 39 -8.229 8.627 18.237
269 HB2 LYS 39 1HB LYS 39 -7.795 6.010 16.891
270 HB3 LYS 39 2HB LYS 39 -9.076 7.037 16.262
271 HG2 LYS 39 1HG LYS 39 -7.386 8.880 16.091
272 HG3 LYS 39 2HG LYS 39 -6.149 7.685 16.487
273 HD2 LYS 39 1HD LYS 39 -6.057 7.539 14.218
274 HD3 LYS 39 2HD LYS 39 -7.348 6.370 14.508
275 HE2 LYS 39 1HE LYS 39 -8.111 9.219 14.169
276 HE3 LYS 39 2HE LYS 39 -7.582 8.339 12.737
277 HZ1 LYS 39 3HZ LYS 39 -9.987 8.223 13.055
278 HZ2 LYS 39 1HZ LYS 39 -9.765 7.479 14.559
279 HZ3 LYS 39 2HZ LYS 39 -9.279 6.689 13.144
280 HA PRO 40 HA PRO 40 -12.341 7.969 19.644
281 HB2 PRO 40 1HB PRO 40 -13.701 9.492 17.854
282 HB3 PRO 40 2HB PRO 40 -12.716 10.181 19.150
283 HG2 PRO 40 1HG PRO 40 -12.038 9.787 16.261
284 HG3 PRO 40 2HG PRO 40 -11.718 11.184 17.305
285 HD2 PRO 40 1HD PRO 40 -9.824 9.342 16.715
286 HD3 PRO 40 2HD PRO 40 -9.871 10.200 18.269
287 H SER 41 H SER 41 -11.144 6.622 16.882
288 HA SER 41 HA SER 41 -13.722 5.363 16.205
289 HB2 SER 41 1HB SER 41 -11.318 5.916 14.456
290 HB3 SER 41 2HB SER 41 -12.662 4.885 13.966
291 HG SER 41 HG SER 41 -13.366 7.373 14.941
292 H GLY 42 H GLY 42 -13.672 3.109 15.627
293 HA2 GLY 42 1HA GLY 42 -11.300 1.664 16.621
294 HA3 GLY 42 2HA GLY 42 -12.908 1.233 17.185
295 HA PRO 43 HA PRO 43 -11.672 -1.111 13.252
296 HB2 PRO 43 1HB PRO 43 -11.370 -3.563 14.377
297 HB3 PRO 43 2HB PRO 43 -10.040 -2.411 14.213
298 HG2 PRO 43 1HG PRO 43 -11.741 -3.013 16.602
299 HG3 PRO 43 2HG PRO 43 -9.987 -2.767 16.511
300 HD2 PRO 43 1HD PRO 43 -11.688 -0.831 17.341
301 HD3 PRO 43 2HD PRO 43 -10.185 -0.471 16.469
302 H SER 44 H SER 44 -14.077 -0.918 15.512
303 HA SER 44 HA SER 44 -15.755 -2.986 15.446
304 HB2 SER 44 1HB SER 44 -16.491 -0.107 14.882
305 HB3 SER 44 2HB SER 44 -17.668 -1.365 15.258
306 HG SER 44 HG SER 44 -17.155 -1.200 17.285
307 H SER 45 H SER 45 -15.905 -0.553 12.840
308 HA SER 45 HA SER 45 -17.260 -2.451 11.118
309 HB2 SER 45 1HB SER 45 -16.454 0.438 10.717
310 HB3 SER 45 2HB SER 45 -17.308 -0.521 9.509
311 HG SER 45 HG SER 45 -18.777 0.665 10.753
312 H GLY 46 H GLY 46 -15.565 -3.994 10.865
313 HA2 GLY 46 1HA GLY 46 -13.561 -4.819 10.019
314 HA3 GLY 46 2HA GLY 46 -14.213 -4.089 8.560
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -11.297 12.259 -17.647
2 HA2 GLY 1 1HA GLY 1 -10.005 13.428 -19.238
3 HA3 GLY 1 2HA GLY 1 -9.801 14.733 -18.078
4 H SER 2 H SER 2 -7.539 14.578 -18.836
5 HA SER 2 HA SER 2 -5.880 12.390 -18.465
6 HB2 SER 2 1HB SER 2 -5.458 15.340 -18.558
7 HB3 SER 2 2HB SER 2 -4.128 14.339 -17.976
8 HG SER 2 HG SER 2 -4.064 14.663 -20.251
9 H SER 3 H SER 3 -5.473 11.247 -16.704
10 HA SER 3 HA SER 3 -5.809 12.472 -14.073
11 HB2 SER 3 1HB SER 3 -6.936 10.324 -14.500
12 HB3 SER 3 2HB SER 3 -5.377 9.573 -14.838
13 HG SER 3 HG SER 3 -5.367 9.187 -12.773
14 H GLY 4 H GLY 4 -3.389 10.680 -15.952
15 HA2 GLY 4 1HA GLY 4 -1.151 10.266 -15.483
16 HA3 GLY 4 2HA GLY 4 -1.147 12.018 -15.342
17 H SER 5 H SER 5 -0.264 12.748 -13.538
18 HA SER 5 HA SER 5 0.745 12.665 -11.471
19 HB2 SER 5 1HB SER 5 -0.840 12.765 -9.709
20 HB3 SER 5 2HB SER 5 -1.693 13.359 -11.134
21 HG SER 5 HG SER 5 -2.177 10.868 -11.229
22 H SER 6 H SER 6 1.301 10.321 -12.855
23 HA SER 6 HA SER 6 1.062 8.237 -10.789
24 HB2 SER 6 1HB SER 6 0.108 7.636 -12.988
25 HB3 SER 6 2HB SER 6 1.679 7.918 -13.737
26 HG SER 6 HG SER 6 1.018 5.948 -11.806
27 H GLY 7 H GLY 7 2.923 6.871 -10.407
28 HA2 GLY 7 1HA GLY 7 5.492 8.098 -11.165
29 HA3 GLY 7 2HA GLY 7 5.149 7.753 -9.476
30 H THR 8 H THR 8 7.267 6.721 -11.243
31 HA THR 8 HA THR 8 6.647 3.988 -11.828
32 HB THR 8 HB THR 8 8.403 5.286 -13.041
33 HG1 THR 8 HG1 THR 8 10.038 3.442 -12.676
34 HG21 THR 8 3HG2 THR 8 10.228 6.142 -12.044
35 HG22 THR 8 1HG2 THR 8 10.444 4.730 -11.011
36 HG23 THR 8 2HG2 THR 8 9.294 5.987 -10.556
37 H GLY 9 H GLY 9 7.765 2.142 -10.856
38 HA2 GLY 9 1HA GLY 9 8.279 0.832 -9.044
39 HA3 GLY 9 2HA GLY 9 9.152 2.229 -8.430
40 H GLU 10 H GLU 10 6.590 0.147 -7.900
41 HA GLU 10 HA GLU 10 5.211 2.058 -6.144
42 HB2 GLU 10 1HB GLU 10 3.351 0.452 -6.135
43 HB3 GLU 10 2HB GLU 10 3.764 0.958 -7.767
44 HG2 GLU 10 1HG GLU 10 5.168 -1.165 -7.888
45 HG3 GLU 10 2HG GLU 10 4.309 -1.668 -6.433
46 H LYS 11 H LYS 11 4.882 1.614 -3.980
47 HA LYS 11 HA LYS 11 6.851 -0.075 -2.748
48 HB2 LYS 11 1HB LYS 11 4.684 1.726 -1.688
49 HB3 LYS 11 2HB LYS 11 5.632 0.701 -0.619
50 HG2 LYS 11 1HG LYS 11 6.610 2.867 -0.614
51 HG3 LYS 11 2HG LYS 11 7.688 1.794 -1.509
52 HD2 LYS 11 1HD LYS 11 5.626 3.287 -3.042
53 HD3 LYS 11 2HD LYS 11 7.010 4.191 -2.424
54 HE2 LYS 11 1HE LYS 11 7.537 1.624 -3.821
55 HE3 LYS 11 2HE LYS 11 7.039 3.003 -4.799
56 HZ1 LYS 11 3HZ LYS 11 9.569 2.458 -3.722
57 HZ2 LYS 11 1HZ LYS 11 8.993 3.880 -3.009
58 HZ3 LYS 11 2HZ LYS 11 9.100 3.762 -4.692
59 HA PRO 12 HA PRO 12 4.283 -3.695 -2.622
60 HB2 PRO 12 1HB PRO 12 5.944 -5.192 -1.082
61 HB3 PRO 12 2HB PRO 12 6.237 -4.890 -2.799
62 HG2 PRO 12 1HG PRO 12 7.432 -3.543 -0.408
63 HG3 PRO 12 2HG PRO 12 8.224 -4.082 -1.900
64 HD2 PRO 12 1HD PRO 12 7.543 -1.498 -1.464
65 HD3 PRO 12 2HD PRO 12 7.539 -2.226 -3.083
66 H TYR 13 H TYR 13 5.024 -1.608 -0.083
67 HA TYR 13 HA TYR 13 3.043 -2.934 1.633
68 HB2 TYR 13 1HB TYR 13 5.518 -1.596 2.727
69 HB3 TYR 13 2HB TYR 13 4.332 -2.552 3.609
70 HD1 TYR 13 HD2 TYR 13 4.185 -5.030 3.139
71 HD2 TYR 13 HD1 TYR 13 7.383 -2.616 1.710
72 HE1 TYR 13 HE2 TYR 13 5.545 -7.049 2.788
73 HE2 TYR 13 HE1 TYR 13 8.752 -4.628 1.354
74 HH TYR 13 HH TYR 13 8.318 -7.100 0.948
75 H LYS 14 H LYS 14 1.382 -1.554 1.393
76 HA LYS 14 HA LYS 14 1.863 1.262 2.105
77 HB2 LYS 14 1HB LYS 14 1.491 1.283 -0.251
78 HB3 LYS 14 2HB LYS 14 0.139 0.166 -0.115
79 HG2 LYS 14 1HG LYS 14 -1.249 1.821 0.853
80 HG3 LYS 14 2HG LYS 14 0.112 2.918 1.093
81 HD2 LYS 14 1HD LYS 14 -0.942 3.778 -0.796
82 HD3 LYS 14 2HD LYS 14 0.367 2.806 -1.472
83 HE2 LYS 14 1HE LYS 14 -1.363 0.916 -1.586
84 HE3 LYS 14 2HE LYS 14 -2.566 2.179 -1.336
85 HZ1 LYS 14 3HZ LYS 14 -2.371 2.854 -3.432
86 HZ2 LYS 14 1HZ LYS 14 -1.528 1.418 -3.731
87 HZ3 LYS 14 2HZ LYS 14 -0.680 2.840 -3.387
88 H CYS 15 H CYS 15 0.582 2.052 3.660
89 HA CYS 15 HA CYS 15 -0.955 0.502 5.315
90 HB2 CYS 15 1HB CYS 15 -0.165 3.061 5.397
91 HB3 CYS 15 2HB CYS 15 -1.851 3.314 4.958
92 H ASP 16 H ASP 16 -3.237 0.334 5.672
93 HA ASP 16 HA ASP 16 -4.789 0.504 3.174
94 HB2 ASP 16 1HB ASP 16 -4.359 -1.794 4.122
95 HB3 ASP 16 2HB ASP 16 -5.334 -1.329 5.513
96 H VAL 17 H VAL 17 -4.348 2.333 5.681
97 HA VAL 17 HA VAL 17 -7.212 2.915 6.069
98 HB VAL 17 HB VAL 17 -6.675 2.286 8.206
99 HG11 VAL 17 1HG1 VAL 17 -3.919 3.464 7.859
100 HG12 VAL 17 2HG1 VAL 17 -4.503 2.575 9.268
101 HG13 VAL 17 3HG1 VAL 17 -4.333 1.756 7.715
102 HG21 VAL 17 3HG2 VAL 17 -7.426 4.631 8.221
103 HG22 VAL 17 1HG2 VAL 17 -6.363 4.261 9.580
104 HG23 VAL 17 2HG2 VAL 17 -5.742 5.156 8.192
105 H CYS 18 H CYS 18 -3.975 4.163 5.602
106 HA CYS 18 HA CYS 18 -5.137 6.811 5.037
107 HB2 CYS 18 1HB CYS 18 -3.210 7.890 5.926
108 HB3 CYS 18 2HB CYS 18 -3.705 6.697 7.122
109 H HIS 19 H HIS 19 -3.620 4.148 3.770
110 HA HIS 19 HA HIS 19 -2.696 3.681 1.744
111 HB2 HIS 19 1HB HIS 19 -4.019 6.304 1.279
112 HB3 HIS 19 2HB HIS 19 -2.852 5.767 0.074
113 HD2 HIS 19 HD2 HIS 19 -5.499 3.427 1.834
114 HE1 HIS 19 HE1 HIS 19 -6.216 3.482 -2.347
115 HE2 HIS 19 HE2 HIS 19 -6.938 2.541 -0.125
116 H LYS 20 H LYS 20 -0.899 4.269 3.647
117 HA LYS 20 HA LYS 20 0.996 6.181 2.487
118 HB2 LYS 20 1HB LYS 20 0.566 5.044 5.200
119 HB3 LYS 20 2HB LYS 20 2.220 5.436 4.748
120 HG2 LYS 20 1HG LYS 20 0.058 7.455 4.353
121 HG3 LYS 20 2HG LYS 20 0.750 7.200 5.956
122 HD2 LYS 20 1HD LYS 20 2.447 7.718 3.527
123 HD3 LYS 20 2HD LYS 20 1.804 9.022 4.528
124 HE2 LYS 20 1HE LYS 20 2.872 7.749 6.493
125 HE3 LYS 20 2HE LYS 20 3.781 6.884 5.254
126 HZ1 LYS 20 3HZ LYS 20 3.851 9.770 5.895
127 HZ2 LYS 20 1HZ LYS 20 4.431 9.172 4.422
128 HZ3 LYS 20 2HZ LYS 20 5.132 8.666 5.875
129 H SER 21 H SER 21 2.220 5.270 0.958
130 HA SER 21 HA SER 21 2.846 2.526 0.801
131 HB2 SER 21 1HB SER 21 4.723 3.499 -0.782
132 HB3 SER 21 2HB SER 21 3.025 3.568 -1.255
133 HG SER 21 HG SER 21 3.501 5.620 -1.483
134 H PHE 22 H PHE 22 4.927 1.506 0.994
135 HA PHE 22 HA PHE 22 6.989 2.841 2.521
136 HB2 PHE 22 1HB PHE 22 5.423 0.528 3.678
137 HB3 PHE 22 2HB PHE 22 6.969 1.083 4.312
138 HD1 PHE 22 HD1 PHE 22 7.151 3.309 5.353
139 HD2 PHE 22 HD2 PHE 22 3.407 1.698 4.126
140 HE1 PHE 22 HE1 PHE 22 5.985 4.964 6.751
141 HE2 PHE 22 HE2 PHE 22 2.235 3.351 5.522
142 HZ PHE 22 HZ PHE 22 3.523 4.987 6.836
143 H ARG 23 H ARG 23 8.628 2.360 1.194
144 HA ARG 23 HA ARG 23 8.925 0.241 -0.510
145 HB2 ARG 23 1HB ARG 23 10.429 2.147 -0.545
146 HB3 ARG 23 2HB ARG 23 11.085 1.695 1.023
147 HG2 ARG 23 1HG ARG 23 12.226 -0.142 0.152
148 HG3 ARG 23 2HG ARG 23 11.260 -0.154 -1.325
149 HD2 ARG 23 1HD ARG 23 13.259 1.959 -0.527
150 HD3 ARG 23 2HD ARG 23 13.510 0.704 -1.739
151 HE ARG 23 HE ARG 23 11.208 2.216 -2.366
152 HH11 ARG 23 1HH1 ARG 23 14.684 2.418 -2.347
153 HH12 ARG 23 2HH1 ARG 23 14.754 3.569 -3.640
154 HH21 ARG 23 1HH2 ARG 23 11.288 3.732 -4.069
155 HH22 ARG 23 2HH2 ARG 23 12.822 4.317 -4.618
156 H TYR 24 H TYR 24 9.341 0.278 2.935
157 HA TYR 24 HA TYR 24 10.235 -2.529 2.841
158 HB2 TYR 24 1HB TYR 24 10.814 -0.350 4.841
159 HB3 TYR 24 2HB TYR 24 11.065 -2.052 5.212
160 HD1 TYR 24 HD2 TYR 24 11.830 0.188 2.310
161 HD2 TYR 24 HD1 TYR 24 13.270 -2.688 5.094
162 HE1 TYR 24 HE2 TYR 24 14.051 0.292 1.259
163 HE2 TYR 24 HE1 TYR 24 15.496 -2.592 4.052
164 HH TYR 24 HH TYR 24 16.401 -1.961 1.698
165 H GLY 25 H GLY 25 9.252 -4.025 4.207
166 HA2 GLY 25 1HA GLY 25 6.502 -3.575 4.749
167 HA3 GLY 25 2HA GLY 25 7.429 -4.992 5.219
168 H SER 26 H SER 26 9.339 -3.851 6.867
169 HA SER 26 HA SER 26 8.048 -3.762 9.320
170 HB2 SER 26 1HB SER 26 10.563 -4.085 8.760
171 HB3 SER 26 2HB SER 26 10.655 -2.327 8.877
172 HG SER 26 HG SER 26 9.409 -2.898 10.997
173 H SER 27 H SER 27 9.197 -1.068 7.313
174 HA SER 27 HA SER 27 8.635 1.053 8.978
175 HB2 SER 27 1HB SER 27 8.241 0.959 5.976
176 HB3 SER 27 2HB SER 27 8.418 2.421 6.947
177 HG SER 27 HG SER 27 10.409 1.902 6.080
178 H LEU 28 H LEU 28 6.439 -0.346 6.541
179 HA LEU 28 HA LEU 28 4.212 1.177 6.925
180 HB2 LEU 28 1HB LEU 28 4.206 -0.481 5.235
181 HB3 LEU 28 2HB LEU 28 4.460 -1.774 6.406
182 HG LEU 28 HG LEU 28 2.192 -1.460 7.255
183 HD11 LEU 28 1HD1 LEU 28 2.391 1.036 5.974
184 HD12 LEU 28 2HD1 LEU 28 1.033 0.394 6.897
185 HD13 LEU 28 3HD1 LEU 28 1.110 0.145 5.153
186 HD21 LEU 28 3HD2 LEU 28 2.571 -1.927 4.317
187 HD22 LEU 28 1HD2 LEU 28 0.984 -2.062 5.075
188 HD23 LEU 28 2HD2 LEU 28 2.305 -3.105 5.603
189 H THR 29 H THR 29 4.633 -1.969 8.555
190 HA THR 29 HA THR 29 2.572 -1.774 10.360
191 HB THR 29 HB THR 29 5.273 -3.057 10.814
192 HG1 THR 29 HG1 THR 29 2.925 -4.471 10.200
193 HG21 THR 29 3HG2 THR 29 3.704 -2.575 12.839
194 HG22 THR 29 1HG2 THR 29 4.417 -4.176 12.655
195 HG23 THR 29 2HG2 THR 29 2.743 -3.896 12.176
196 H VAL 30 H VAL 30 5.965 -0.855 10.974
197 HA VAL 30 HA VAL 30 5.654 0.154 13.534
198 HB VAL 30 HB VAL 30 7.529 1.153 11.386
199 HG11 VAL 30 1HG1 VAL 30 7.308 2.752 13.218
200 HG12 VAL 30 2HG1 VAL 30 7.665 1.475 14.383
201 HG13 VAL 30 3HG1 VAL 30 8.897 1.989 13.229
202 HG21 VAL 30 3HG2 VAL 30 8.563 -0.801 11.616
203 HG22 VAL 30 1HG2 VAL 30 8.866 -0.405 13.307
204 HG23 VAL 30 2HG2 VAL 30 7.416 -1.303 12.858
205 H HIS 31 H HIS 31 4.532 1.436 10.561
206 HA HIS 31 HA HIS 31 4.219 4.133 11.615
207 HB2 HIS 31 1HB HIS 31 4.739 4.388 9.404
208 HB3 HIS 31 2HB HIS 31 4.003 2.856 8.943
209 HD1 HIS 31 HD1 HIS 31 3.351 6.476 9.131
210 HD2 HIS 31 HD2 HIS 31 1.162 2.992 8.553
211 HE1 HIS 31 HE1 HIS 31 1.127 7.221 8.223
212 H GLN 32 H GLN 32 2.199 1.437 10.505
213 HA GLN 32 HA GLN 32 -0.302 2.578 10.799
214 HB2 GLN 32 1HB GLN 32 0.429 -0.281 11.451
215 HB3 GLN 32 2HB GLN 32 -1.169 0.318 11.027
216 HG2 GLN 32 1HG GLN 32 -0.148 1.038 8.819
217 HG3 GLN 32 2HG GLN 32 1.248 0.060 9.270
218 HE21 GLN 32 1HE2 GLN 32 -1.904 0.072 7.996
219 HE22 GLN 32 2HE2 GLN 32 -2.086 -1.635 7.799
220 H ARG 33 H ARG 33 1.996 1.947 13.200
221 HA ARG 33 HA ARG 33 0.572 1.242 15.440
222 HB2 ARG 33 1HB ARG 33 2.829 3.241 15.231
223 HB3 ARG 33 2HB ARG 33 2.259 2.533 16.736
224 HG2 ARG 33 1HG ARG 33 2.798 0.279 15.727
225 HG3 ARG 33 2HG ARG 33 3.631 1.161 14.446
226 HD2 ARG 33 1HD ARG 33 5.312 1.856 15.827
227 HD3 ARG 33 2HD ARG 33 4.282 1.852 17.259
228 HE ARG 33 HE ARG 33 4.493 -0.774 16.635
229 HH11 ARG 33 1HH1 ARG 33 6.818 1.770 17.133
230 HH12 ARG 33 2HH1 ARG 33 8.047 0.707 17.733
231 HH21 ARG 33 1HH2 ARG 33 6.103 -2.183 17.424
232 HH22 ARG 33 2HH2 ARG 33 7.640 -1.542 17.897
233 H ILE 34 H ILE 34 0.749 4.382 13.869
234 HA ILE 34 HA ILE 34 -0.556 5.855 15.907
235 HB ILE 34 HB ILE 34 -0.569 7.657 14.462
236 HG12 ILE 34 1HG1 ILE 34 -2.023 6.501 12.768
237 HG13 ILE 34 2HG1 ILE 34 -0.804 7.565 12.074
238 HG21 ILE 34 1HG2 ILE 34 1.555 7.757 13.520
239 HG22 ILE 34 2HG2 ILE 34 1.712 6.494 14.740
240 HG23 ILE 34 3HG2 ILE 34 1.528 6.060 13.041
241 HD11 ILE 34 3HD1 ILE 34 0.504 5.765 11.346
242 HD12 ILE 34 1HD1 ILE 34 -0.361 4.615 12.365
243 HD13 ILE 34 2HD1 ILE 34 -1.158 5.320 10.958
244 H HIS 35 H HIS 35 -1.686 3.774 13.384
245 HA HIS 35 HA HIS 35 -4.395 4.759 13.420
246 HB2 HIS 35 1HB HIS 35 -3.153 2.299 12.176
247 HB3 HIS 35 2HB HIS 35 -4.847 2.745 11.993
248 HD1 HIS 35 HD1 HIS 35 -4.731 5.658 11.325
249 HD2 HIS 35 HD2 HIS 35 -2.000 2.916 9.814
250 HE1 HIS 35 HE1 HIS 35 -3.808 6.710 9.236
251 H THR 36 H THR 36 -2.551 2.720 15.375
252 HA THR 36 HA THR 36 -4.993 1.538 16.530
253 HB THR 36 HB THR 36 -3.523 -0.161 15.460
254 HG1 THR 36 HG1 THR 36 -4.566 -0.181 17.908
255 HG21 THR 36 3HG2 THR 36 -1.351 -0.600 16.172
256 HG22 THR 36 1HG2 THR 36 -1.560 0.288 17.681
257 HG23 THR 36 2HG2 THR 36 -1.405 1.162 16.157
258 H GLY 37 H GLY 37 -5.257 1.639 18.724
259 HA2 GLY 37 1HA GLY 37 -3.929 1.808 20.891
260 HA3 GLY 37 2HA GLY 37 -3.261 3.264 20.167
261 H GLU 38 H GLU 38 -4.293 3.774 22.473
262 HA GLU 38 HA GLU 38 -6.866 4.052 23.105
263 HB2 GLU 38 1HB GLU 38 -4.779 5.103 24.215
264 HB3 GLU 38 2HB GLU 38 -5.143 6.511 23.227
265 HG2 GLU 38 1HG GLU 38 -7.040 7.017 24.391
266 HG3 GLU 38 2HG GLU 38 -7.321 5.346 24.875
267 H LYS 39 H LYS 39 -8.678 4.999 22.385
268 HA LYS 39 HA LYS 39 -8.457 6.705 19.995
269 HB2 LYS 39 1HB LYS 39 -10.539 4.732 20.888
270 HB3 LYS 39 2HB LYS 39 -10.939 5.997 19.734
271 HG2 LYS 39 1HG LYS 39 -8.682 4.053 19.333
272 HG3 LYS 39 2HG LYS 39 -10.323 3.780 18.743
273 HD2 LYS 39 1HD LYS 39 -8.756 6.258 18.068
274 HD3 LYS 39 2HD LYS 39 -8.664 4.786 17.097
275 HE2 LYS 39 1HE LYS 39 -10.924 4.919 16.484
276 HE3 LYS 39 2HE LYS 39 -11.294 6.070 17.767
277 HZ1 LYS 39 3HZ LYS 39 -10.509 7.804 16.566
278 HZ2 LYS 39 1HZ LYS 39 -10.947 6.810 15.269
279 HZ3 LYS 39 2HZ LYS 39 -9.333 6.888 15.767
280 HA PRO 40 HA PRO 40 -10.290 10.108 22.073
281 HB2 PRO 40 1HB PRO 40 -11.800 11.207 20.103
282 HB3 PRO 40 2HB PRO 40 -10.035 11.295 20.123
283 HG2 PRO 40 1HG PRO 40 -11.821 9.435 18.602
284 HG3 PRO 40 2HG PRO 40 -10.367 10.289 18.053
285 HD2 PRO 40 1HD PRO 40 -10.340 7.678 18.772
286 HD3 PRO 40 2HD PRO 40 -8.947 8.751 19.019
287 H SER 41 H SER 41 -12.014 7.416 21.318
288 HA SER 41 HA SER 41 -13.964 6.578 22.169
289 HB2 SER 41 1HB SER 41 -13.445 8.245 24.077
290 HB3 SER 41 2HB SER 41 -14.652 9.278 23.311
291 HG SER 41 HG SER 41 -16.195 7.734 23.671
292 H GLY 42 H GLY 42 -14.000 7.132 19.603
293 HA2 GLY 42 1HA GLY 42 -16.746 7.868 19.119
294 HA3 GLY 42 2HA GLY 42 -15.590 9.013 18.454
295 HA PRO 43 HA PRO 43 -15.206 4.716 16.180
296 HB2 PRO 43 1HB PRO 43 -17.553 3.354 16.089
297 HB3 PRO 43 2HB PRO 43 -16.341 3.098 17.350
298 HG2 PRO 43 1HG PRO 43 -18.848 4.732 17.436
299 HG3 PRO 43 2HG PRO 43 -18.184 3.636 18.662
300 HD2 PRO 43 1HD PRO 43 -17.907 6.326 18.808
301 HD3 PRO 43 2HD PRO 43 -16.679 5.204 19.430
302 H SER 44 H SER 44 -17.512 7.177 16.102
303 HA SER 44 HA SER 44 -17.987 6.729 13.228
304 HB2 SER 44 1HB SER 44 -19.798 7.888 15.342
305 HB3 SER 44 2HB SER 44 -20.064 8.186 13.625
306 HG SER 44 HG SER 44 -20.250 5.788 15.070
307 H SER 45 H SER 45 -18.164 8.652 11.909
308 HA SER 45 HA SER 45 -17.231 10.564 11.090
309 HB2 SER 45 1HB SER 45 -17.676 12.559 12.346
310 HB3 SER 45 2HB SER 45 -19.002 11.440 12.661
311 HG SER 45 HG SER 45 -17.706 12.625 14.473
312 H GLY 46 H GLY 46 -15.334 8.725 11.970
313 HA2 GLY 46 1HA GLY 46 -13.211 10.546 12.914
314 HA3 GLY 46 2HA GLY 46 -13.354 8.912 13.546
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -6.664 7.856 -20.911
2 HA2 GLY 1 1HA GLY 1 -9.564 7.613 -20.443
3 HA3 GLY 1 2HA GLY 1 -8.525 6.203 -20.296
4 H SER 2 H SER 2 -9.431 9.268 -18.887
5 HA SER 2 HA SER 2 -7.660 9.618 -16.853
6 HB2 SER 2 1HB SER 2 -10.606 10.077 -17.063
7 HB3 SER 2 2HB SER 2 -9.829 10.293 -15.495
8 HG SER 2 HG SER 2 -9.685 12.243 -16.473
9 H SER 3 H SER 3 -7.459 8.918 -14.705
10 HA SER 3 HA SER 3 -7.341 7.367 -13.045
11 HB2 SER 3 1HB SER 3 -10.156 6.768 -13.982
12 HB3 SER 3 2HB SER 3 -9.444 6.148 -12.493
13 HG SER 3 HG SER 3 -10.704 8.395 -12.769
14 H GLY 4 H GLY 4 -6.105 6.625 -15.388
15 HA2 GLY 4 1HA GLY 4 -6.778 3.764 -15.659
16 HA3 GLY 4 2HA GLY 4 -5.966 4.717 -16.892
17 H SER 5 H SER 5 -5.369 2.251 -15.045
18 HA SER 5 HA SER 5 -2.941 3.064 -13.722
19 HB2 SER 5 1HB SER 5 -4.288 0.398 -14.145
20 HB3 SER 5 2HB SER 5 -2.705 0.536 -13.379
21 HG SER 5 HG SER 5 -3.654 1.842 -11.787
22 H SER 6 H SER 6 -2.694 3.813 -16.310
23 HA SER 6 HA SER 6 -1.723 2.180 -18.239
24 HB2 SER 6 1HB SER 6 -0.162 4.072 -18.866
25 HB3 SER 6 2HB SER 6 -1.851 4.534 -18.657
26 HG SER 6 HG SER 6 -1.025 5.968 -17.353
27 H GLY 7 H GLY 7 0.388 3.696 -15.785
28 HA2 GLY 7 1HA GLY 7 2.257 1.442 -16.178
29 HA3 GLY 7 2HA GLY 7 2.754 3.068 -15.734
30 H THR 8 H THR 8 3.731 1.141 -14.205
31 HA THR 8 HA THR 8 2.191 1.405 -11.714
32 HB THR 8 HB THR 8 1.906 -0.894 -12.608
33 HG1 THR 8 HG1 THR 8 3.001 -1.861 -10.577
34 HG21 THR 8 3HG2 THR 8 4.870 -1.186 -12.122
35 HG22 THR 8 1HG2 THR 8 4.140 -1.012 -13.718
36 HG23 THR 8 2HG2 THR 8 3.762 -2.419 -12.723
37 H GLY 9 H GLY 9 3.394 1.644 -9.835
38 HA2 GLY 9 1HA GLY 9 6.132 1.213 -9.536
39 HA3 GLY 9 2HA GLY 9 5.933 2.861 -10.114
40 H GLU 10 H GLU 10 5.017 0.620 -7.538
41 HA GLU 10 HA GLU 10 5.012 2.878 -5.675
42 HB2 GLU 10 1HB GLU 10 2.954 2.163 -4.618
43 HB3 GLU 10 2HB GLU 10 2.661 2.468 -6.324
44 HG2 GLU 10 1HG GLU 10 3.307 -0.302 -5.456
45 HG3 GLU 10 2HG GLU 10 1.697 0.342 -5.137
46 H LYS 11 H LYS 11 4.823 1.999 -3.345
47 HA LYS 11 HA LYS 11 6.948 0.111 -2.989
48 HB2 LYS 11 1HB LYS 11 5.115 1.268 -0.883
49 HB3 LYS 11 2HB LYS 11 6.697 0.543 -0.626
50 HG2 LYS 11 1HG LYS 11 6.154 3.094 -2.133
51 HG3 LYS 11 2HG LYS 11 6.791 2.972 -0.491
52 HD2 LYS 11 1HD LYS 11 8.814 2.016 -1.241
53 HD3 LYS 11 2HD LYS 11 8.154 1.686 -2.844
54 HE2 LYS 11 1HE LYS 11 8.253 3.928 -3.477
55 HE3 LYS 11 2HE LYS 11 8.359 4.491 -1.809
56 HZ1 LYS 11 3HZ LYS 11 10.544 4.547 -2.063
57 HZ2 LYS 11 1HZ LYS 11 10.448 3.846 -3.600
58 HZ3 LYS 11 2HZ LYS 11 10.556 2.863 -2.227
59 HA PRO 12 HA PRO 12 4.630 -3.614 -2.677
60 HB2 PRO 12 1HB PRO 12 6.290 -5.050 -1.079
61 HB3 PRO 12 2HB PRO 12 6.648 -4.708 -2.776
62 HG2 PRO 12 1HG PRO 12 7.660 -3.339 -0.314
63 HG3 PRO 12 2HG PRO 12 8.547 -3.816 -1.774
64 HD2 PRO 12 1HD PRO 12 7.718 -1.275 -1.338
65 HD3 PRO 12 2HD PRO 12 7.826 -1.979 -2.964
66 H TYR 13 H TYR 13 5.184 -1.550 -0.058
67 HA TYR 13 HA TYR 13 3.158 -2.970 1.524
68 HB2 TYR 13 1HB TYR 13 5.576 -1.636 2.749
69 HB3 TYR 13 2HB TYR 13 4.345 -2.583 3.578
70 HD1 TYR 13 HD2 TYR 13 4.263 -5.040 3.272
71 HD2 TYR 13 HD1 TYR 13 7.403 -2.689 1.626
72 HE1 TYR 13 HE2 TYR 13 5.617 -7.071 2.970
73 HE2 TYR 13 HE1 TYR 13 8.766 -4.713 1.318
74 HH TYR 13 HH TYR 13 8.882 -7.034 2.387
75 H LYS 14 H LYS 14 1.495 -1.599 1.170
76 HA LYS 14 HA LYS 14 1.900 1.219 1.936
77 HB2 LYS 14 1HB LYS 14 1.488 1.165 -0.425
78 HB3 LYS 14 2HB LYS 14 0.136 0.059 -0.222
79 HG2 LYS 14 1HG LYS 14 -1.261 1.718 0.607
80 HG3 LYS 14 2HG LYS 14 0.086 2.777 1.027
81 HD2 LYS 14 1HD LYS 14 -0.906 3.727 -0.894
82 HD3 LYS 14 2HD LYS 14 0.562 2.927 -1.459
83 HE2 LYS 14 1HE LYS 14 -1.977 1.378 -1.463
84 HE3 LYS 14 2HE LYS 14 -1.763 2.625 -2.692
85 HZ1 LYS 14 3HZ LYS 14 0.239 1.559 -3.430
86 HZ2 LYS 14 1HZ LYS 14 -1.006 0.412 -3.410
87 HZ3 LYS 14 2HZ LYS 14 0.158 0.419 -2.183
88 H CYS 15 H CYS 15 0.630 1.992 3.507
89 HA CYS 15 HA CYS 15 -0.837 0.423 5.207
90 HB2 CYS 15 1HB CYS 15 -0.109 3.001 5.249
91 HB3 CYS 15 2HB CYS 15 -1.808 3.209 4.835
92 H ASP 16 H ASP 16 -3.104 0.191 5.605
93 HA ASP 16 HA ASP 16 -4.707 0.301 3.136
94 HB2 ASP 16 1HB ASP 16 -4.112 -1.949 4.380
95 HB3 ASP 16 2HB ASP 16 -5.444 -1.472 5.429
96 H VAL 17 H VAL 17 -4.279 2.246 5.493
97 HA VAL 17 HA VAL 17 -7.146 2.733 5.966
98 HB VAL 17 HB VAL 17 -6.542 2.117 8.098
99 HG11 VAL 17 1HG1 VAL 17 -3.853 3.403 7.637
100 HG12 VAL 17 2HG1 VAL 17 -4.363 2.628 9.139
101 HG13 VAL 17 3HG1 VAL 17 -4.205 1.675 7.663
102 HG21 VAL 17 3HG2 VAL 17 -6.304 4.129 9.454
103 HG22 VAL 17 1HG2 VAL 17 -5.796 5.039 8.031
104 HG23 VAL 17 2HG2 VAL 17 -7.436 4.399 8.129
105 H CYS 18 H CYS 18 -3.914 4.096 5.620
106 HA CYS 18 HA CYS 18 -5.147 6.702 5.003
107 HB2 CYS 18 1HB CYS 18 -3.244 7.814 5.867
108 HB3 CYS 18 2HB CYS 18 -3.635 6.570 7.050
109 H HIS 19 H HIS 19 -3.335 4.090 3.820
110 HA HIS 19 HA HIS 19 -2.579 3.635 1.711
111 HB2 HIS 19 1HB HIS 19 -3.154 6.469 0.879
112 HB3 HIS 19 2HB HIS 19 -3.142 5.013 -0.112
113 HD2 HIS 19 HD2 HIS 19 -5.258 3.334 1.918
114 HE1 HIS 19 HE1 HIS 19 -7.903 6.444 0.764
115 HE2 HIS 19 HE2 HIS 19 -7.703 4.175 1.839
116 H LYS 20 H LYS 20 -0.775 4.218 3.635
117 HA LYS 20 HA LYS 20 1.131 6.118 2.478
118 HB2 LYS 20 1HB LYS 20 0.714 4.938 5.175
119 HB3 LYS 20 2HB LYS 20 2.367 5.326 4.716
120 HG2 LYS 20 1HG LYS 20 0.200 7.358 4.394
121 HG3 LYS 20 2HG LYS 20 0.945 7.083 5.970
122 HD2 LYS 20 1HD LYS 20 2.561 7.631 3.492
123 HD3 LYS 20 2HD LYS 20 1.953 8.922 4.531
124 HE2 LYS 20 1HE LYS 20 3.109 7.799 6.448
125 HE3 LYS 20 2HE LYS 20 3.844 6.699 5.283
126 HZ1 LYS 20 3HZ LYS 20 5.456 8.259 5.340
127 HZ2 LYS 20 1HZ LYS 20 4.411 9.509 5.798
128 HZ3 LYS 20 2HZ LYS 20 4.480 9.014 4.182
129 H SER 21 H SER 21 2.393 5.255 0.961
130 HA SER 21 HA SER 21 2.978 2.501 0.732
131 HB2 SER 21 1HB SER 21 4.475 3.139 -1.063
132 HB3 SER 21 2HB SER 21 3.018 4.126 -1.164
133 HG SER 21 HG SER 21 5.318 5.099 -1.241
134 H PHE 22 H PHE 22 4.973 1.407 1.002
135 HA PHE 22 HA PHE 22 7.092 2.698 2.495
136 HB2 PHE 22 1HB PHE 22 5.471 0.435 3.675
137 HB3 PHE 22 2HB PHE 22 7.021 0.977 4.310
138 HD1 PHE 22 HD1 PHE 22 7.229 3.228 5.305
139 HD2 PHE 22 HD2 PHE 22 3.470 1.628 4.111
140 HE1 PHE 22 HE1 PHE 22 6.079 4.918 6.673
141 HE2 PHE 22 HE2 PHE 22 2.314 3.316 5.477
142 HZ PHE 22 HZ PHE 22 3.618 4.965 6.760
143 H ARG 23 H ARG 23 8.767 2.134 1.266
144 HA ARG 23 HA ARG 23 9.006 0.040 -0.477
145 HB2 ARG 23 1HB ARG 23 10.633 1.803 -0.477
146 HB3 ARG 23 2HB ARG 23 11.146 1.403 1.157
147 HG2 ARG 23 1HG ARG 23 12.265 -0.523 0.463
148 HG3 ARG 23 2HG ARG 23 11.417 -0.565 -1.084
149 HD2 ARG 23 1HD ARG 23 12.569 1.691 -1.535
150 HD3 ARG 23 2HD ARG 23 13.628 1.256 -0.194
151 HE ARG 23 HE ARG 23 13.559 -0.900 -1.959
152 HH11 ARG 23 1HH1 ARG 23 14.647 2.407 -1.895
153 HH12 ARG 23 2HH1 ARG 23 15.929 2.144 -3.031
154 HH21 ARG 23 1HH2 ARG 23 15.243 -1.259 -3.455
155 HH22 ARG 23 2HH2 ARG 23 16.266 0.059 -3.918
156 H TYR 24 H TYR 24 9.433 0.003 2.989
157 HA TYR 24 HA TYR 24 10.070 -2.871 2.849
158 HB2 TYR 24 1HB TYR 24 10.805 -0.809 4.929
159 HB3 TYR 24 2HB TYR 24 10.997 -2.541 5.178
160 HD1 TYR 24 HD2 TYR 24 11.845 -0.019 2.543
161 HD2 TYR 24 HD1 TYR 24 13.116 -3.368 4.840
162 HE1 TYR 24 HE2 TYR 24 14.046 0.074 1.450
163 HE2 TYR 24 HE1 TYR 24 15.321 -3.283 3.754
164 HH TYR 24 HH TYR 24 16.518 -2.371 2.084
165 H GLY 25 H GLY 25 9.005 -4.291 4.257
166 HA2 GLY 25 1HA GLY 25 6.293 -3.635 4.800
167 HA3 GLY 25 2HA GLY 25 7.112 -5.119 5.266
168 H SER 26 H SER 26 9.139 -4.020 6.871
169 HA SER 26 HA SER 26 7.866 -3.873 9.346
170 HB2 SER 26 1HB SER 26 10.631 -3.214 8.392
171 HB3 SER 26 2HB SER 26 10.164 -2.814 10.044
172 HG SER 26 HG SER 26 10.926 -4.839 10.204
173 H SER 27 H SER 27 9.093 -1.288 7.258
174 HA SER 27 HA SER 27 8.709 0.881 8.942
175 HB2 SER 27 1HB SER 27 8.319 0.799 5.940
176 HB3 SER 27 2HB SER 27 8.589 2.250 6.905
177 HG SER 27 HG SER 27 10.644 1.832 6.905
178 H LEU 28 H LEU 28 6.421 -0.526 6.608
179 HA LEU 28 HA LEU 28 4.292 1.184 6.937
180 HB2 LEU 28 1HB LEU 28 4.158 -0.473 5.265
181 HB3 LEU 28 2HB LEU 28 4.392 -1.775 6.430
182 HG LEU 28 HG LEU 28 2.146 -1.286 7.359
183 HD11 LEU 28 1HD1 LEU 28 0.999 0.531 6.812
184 HD12 LEU 28 2HD1 LEU 28 1.144 0.172 5.092
185 HD13 LEU 28 3HD1 LEU 28 2.410 1.087 5.911
186 HD21 LEU 28 3HD2 LEU 28 2.684 -2.244 4.624
187 HD22 LEU 28 1HD2 LEU 28 1.000 -1.872 4.993
188 HD23 LEU 28 2HD2 LEU 28 1.878 -3.045 5.974
189 H THR 29 H THR 29 4.646 -1.925 8.655
190 HA THR 29 HA THR 29 2.569 -1.663 10.435
191 HB THR 29 HB THR 29 5.261 -2.933 10.966
192 HG1 THR 29 HG1 THR 29 3.876 -4.855 10.460
193 HG21 THR 29 3HG2 THR 29 4.408 -3.941 12.848
194 HG22 THR 29 1HG2 THR 29 2.738 -3.798 12.301
195 HG23 THR 29 2HG2 THR 29 3.587 -2.383 12.925
196 H VAL 30 H VAL 30 5.961 -0.746 11.056
197 HA VAL 30 HA VAL 30 5.657 0.344 13.572
198 HB VAL 30 HB VAL 30 7.497 1.303 11.377
199 HG11 VAL 30 1HG1 VAL 30 7.434 3.013 13.008
200 HG12 VAL 30 2HG1 VAL 30 7.454 1.850 14.335
201 HG13 VAL 30 3HG1 VAL 30 8.892 2.078 13.338
202 HG21 VAL 30 3HG2 VAL 30 7.458 -1.067 13.035
203 HG22 VAL 30 1HG2 VAL 30 8.484 -0.674 11.655
204 HG23 VAL 30 2HG2 VAL 30 8.936 -0.135 13.272
205 H HIS 31 H HIS 31 4.580 1.583 10.540
206 HA HIS 31 HA HIS 31 4.216 4.285 11.537
207 HB2 HIS 31 1HB HIS 31 4.698 4.473 9.310
208 HB3 HIS 31 2HB HIS 31 3.961 2.924 8.909
209 HD1 HIS 31 HD1 HIS 31 3.302 6.543 8.978
210 HD2 HIS 31 HD2 HIS 31 1.106 3.037 8.587
211 HE1 HIS 31 HE1 HIS 31 1.057 7.251 8.092
212 H GLN 32 H GLN 32 2.216 1.517 10.595
213 HA GLN 32 HA GLN 32 -0.297 2.651 10.879
214 HB2 GLN 32 1HB GLN 32 0.464 -0.176 11.625
215 HB3 GLN 32 2HB GLN 32 -1.139 0.398 11.183
216 HG2 GLN 32 1HG GLN 32 -0.147 1.029 8.944
217 HG3 GLN 32 2HG GLN 32 1.275 0.105 9.426
218 HE21 GLN 32 1HE2 GLN 32 -1.983 -0.022 8.341
219 HE22 GLN 32 2HE2 GLN 32 -2.086 -1.736 8.154
220 H ARG 33 H ARG 33 2.053 2.162 13.252
221 HA ARG 33 HA ARG 33 0.726 1.490 15.549
222 HB2 ARG 33 1HB ARG 33 2.938 3.477 15.076
223 HB3 ARG 33 2HB ARG 33 2.341 3.124 16.692
224 HG2 ARG 33 1HG ARG 33 2.788 0.635 15.921
225 HG3 ARG 33 2HG ARG 33 3.930 1.439 14.842
226 HD2 ARG 33 1HD ARG 33 5.128 0.880 16.812
227 HD3 ARG 33 2HD ARG 33 4.845 2.620 16.865
228 HE ARG 33 HE ARG 33 2.876 1.021 18.250
229 HH11 ARG 33 1HH1 ARG 33 5.876 2.775 18.475
230 HH12 ARG 33 2HH1 ARG 33 5.763 3.006 20.189
231 HH21 ARG 33 1HH2 ARG 33 2.716 1.319 20.506
232 HH22 ARG 33 2HH2 ARG 33 3.966 2.176 21.343
233 H ILE 34 H ILE 34 0.686 4.576 13.861
234 HA ILE 34 HA ILE 34 -0.708 6.007 15.890
235 HB ILE 34 HB ILE 34 -0.777 7.803 14.438
236 HG12 ILE 34 1HG1 ILE 34 -2.115 6.545 12.709
237 HG13 ILE 34 2HG1 ILE 34 -0.961 7.702 12.054
238 HG21 ILE 34 1HG2 ILE 34 1.549 6.852 14.805
239 HG22 ILE 34 2HG2 ILE 34 1.449 6.248 13.152
240 HG23 ILE 34 3HG2 ILE 34 1.359 7.982 13.465
241 HD11 ILE 34 3HD1 ILE 34 0.521 5.987 11.397
242 HD12 ILE 34 1HD1 ILE 34 -0.363 4.772 12.320
243 HD13 ILE 34 2HD1 ILE 34 -1.090 5.488 10.881
244 H HIS 35 H HIS 35 -1.671 3.893 13.316
245 HA HIS 35 HA HIS 35 -4.426 4.734 13.304
246 HB2 HIS 35 1HB HIS 35 -3.032 2.356 12.065
247 HB3 HIS 35 2HB HIS 35 -4.742 2.715 11.849
248 HD1 HIS 35 HD1 HIS 35 -4.757 5.642 11.217
249 HD2 HIS 35 HD2 HIS 35 -1.870 3.052 9.729
250 HE1 HIS 35 HE1 HIS 35 -3.848 6.761 9.157
251 H THR 36 H THR 36 -2.496 2.618 15.164
252 HA THR 36 HA THR 36 -4.902 1.316 16.261
253 HB THR 36 HB THR 36 -3.286 -0.269 15.278
254 HG1 THR 36 HG1 THR 36 -3.200 -1.616 17.127
255 HG21 THR 36 3HG2 THR 36 -1.081 -0.212 15.670
256 HG22 THR 36 1HG2 THR 36 -1.310 -0.025 17.408
257 HG23 THR 36 2HG2 THR 36 -1.362 1.388 16.354
258 H GLY 37 H GLY 37 -5.155 1.179 18.502
259 HA2 GLY 37 1HA GLY 37 -4.029 1.501 20.710
260 HA3 GLY 37 2HA GLY 37 -3.404 3.000 20.038
261 H GLU 38 H GLU 38 -5.380 4.319 18.983
262 HA GLU 38 HA GLU 38 -6.794 5.449 21.040
263 HB2 GLU 38 1HB GLU 38 -7.604 5.252 18.134
264 HB3 GLU 38 2HB GLU 38 -8.334 6.346 19.301
265 HG2 GLU 38 1HG GLU 38 -6.813 7.688 18.197
266 HG3 GLU 38 2HG GLU 38 -5.946 7.223 19.660
267 H LYS 39 H LYS 39 -9.068 5.418 21.589
268 HA LYS 39 HA LYS 39 -10.099 2.689 21.643
269 HB2 LYS 39 1HB LYS 39 -9.897 4.354 23.662
270 HB3 LYS 39 2HB LYS 39 -11.412 4.992 23.037
271 HG2 LYS 39 1HG LYS 39 -12.580 3.064 23.518
272 HG3 LYS 39 2HG LYS 39 -11.128 2.061 23.521
273 HD2 LYS 39 1HD LYS 39 -11.351 4.217 25.558
274 HD3 LYS 39 2HD LYS 39 -12.338 2.769 25.767
275 HE2 LYS 39 1HE LYS 39 -10.359 2.315 26.937
276 HE3 LYS 39 2HE LYS 39 -10.181 1.456 25.408
277 HZ1 LYS 39 3HZ LYS 39 -9.076 4.168 25.850
278 HZ2 LYS 39 1HZ LYS 39 -8.712 3.086 24.601
279 HZ3 LYS 39 2HZ LYS 39 -8.195 2.761 26.179
280 HA PRO 40 HA PRO 40 -12.877 3.740 18.311
281 HB2 PRO 40 1HB PRO 40 -14.074 1.307 18.190
282 HB3 PRO 40 2HB PRO 40 -12.474 1.625 17.509
283 HG2 PRO 40 1HG PRO 40 -13.203 0.354 20.119
284 HG3 PRO 40 2HG PRO 40 -11.961 -0.127 18.949
285 HD2 PRO 40 1HD PRO 40 -11.381 1.254 21.205
286 HD3 PRO 40 2HD PRO 40 -10.463 1.456 19.700
287 H SER 41 H SER 41 -14.819 4.683 18.394
288 HA SER 41 HA SER 41 -16.289 5.229 20.574
289 HB2 SER 41 1HB SER 41 -17.215 4.781 17.741
290 HB3 SER 41 2HB SER 41 -18.321 5.328 19.001
291 HG SER 41 HG SER 41 -17.489 7.134 18.014
292 H GLY 42 H GLY 42 -16.776 2.371 18.515
293 HA2 GLY 42 1HA GLY 42 -18.106 1.078 20.805
294 HA3 GLY 42 2HA GLY 42 -18.844 1.021 19.211
295 HA PRO 43 HA PRO 43 -15.406 -2.285 19.949
296 HB2 PRO 43 1HB PRO 43 -16.792 -4.266 21.184
297 HB3 PRO 43 2HB PRO 43 -15.899 -3.024 22.069
298 HG2 PRO 43 1HG PRO 43 -18.828 -3.187 21.472
299 HG3 PRO 43 2HG PRO 43 -18.017 -2.726 22.980
300 HD2 PRO 43 1HD PRO 43 -19.036 -0.902 21.256
301 HD3 PRO 43 2HD PRO 43 -17.597 -0.582 22.245
302 H SER 44 H SER 44 -18.393 -1.873 18.537
303 HA SER 44 HA SER 44 -18.661 -4.458 17.305
304 HB2 SER 44 1HB SER 44 -20.030 -1.817 16.746
305 HB3 SER 44 2HB SER 44 -20.451 -3.341 15.966
306 HG SER 44 HG SER 44 -20.421 -3.801 18.556
307 H SER 45 H SER 45 -18.957 -4.433 14.802
308 HA SER 45 HA SER 45 -16.523 -4.266 13.582
309 HB2 SER 45 1HB SER 45 -18.595 -5.339 12.643
310 HB3 SER 45 2HB SER 45 -19.138 -3.734 12.155
311 HG SER 45 HG SER 45 -17.672 -3.688 10.608
312 H GLY 46 H GLY 46 -15.239 -2.718 12.782
313 HA2 GLY 46 1HA GLY 46 -15.759 -0.432 11.468
314 HA3 GLY 46 2HA GLY 46 -16.037 0.047 13.136
Start of MODEL 8
1 H1 GLY 1 H GLY 1 2.037 6.845 -20.388
2 HA2 GLY 1 1HA GLY 1 3.575 5.417 -19.278
3 HA3 GLY 1 2HA GLY 1 3.707 4.461 -20.747
4 H SER 2 H SER 2 5.882 5.435 -19.174
5 HA SER 2 HA SER 2 7.826 6.636 -19.304
6 HB2 SER 2 1HB SER 2 7.318 5.953 -22.206
7 HB3 SER 2 2HB SER 2 8.844 6.603 -21.607
8 HG SER 2 HG SER 2 7.731 4.326 -20.397
9 H SER 3 H SER 3 5.662 8.335 -19.058
10 HA SER 3 HA SER 3 6.242 10.524 -20.934
11 HB2 SER 3 1HB SER 3 4.091 11.477 -20.267
12 HB3 SER 3 2HB SER 3 3.877 9.812 -20.807
13 HG SER 3 HG SER 3 4.318 10.289 -18.085
14 H GLY 4 H GLY 4 6.884 12.519 -20.210
15 HA2 GLY 4 1HA GLY 4 8.011 13.970 -18.826
16 HA3 GLY 4 2HA GLY 4 6.748 13.571 -17.670
17 H SER 5 H SER 5 7.432 12.803 -15.794
18 HA SER 5 HA SER 5 10.183 11.983 -15.484
19 HB2 SER 5 1HB SER 5 9.099 13.407 -13.789
20 HB3 SER 5 2HB SER 5 7.947 12.117 -13.445
21 HG SER 5 HG SER 5 9.702 10.829 -12.767
22 H SER 6 H SER 6 10.916 9.966 -15.505
23 HA SER 6 HA SER 6 9.047 7.773 -15.798
24 HB2 SER 6 1HB SER 6 11.282 8.145 -17.090
25 HB3 SER 6 2HB SER 6 12.029 7.435 -15.659
26 HG SER 6 HG SER 6 10.420 6.266 -17.597
27 H GLY 7 H GLY 7 8.153 7.028 -13.975
28 HA2 GLY 7 1HA GLY 7 9.842 6.779 -11.577
29 HA3 GLY 7 2HA GLY 7 8.084 6.814 -11.586
30 H THR 8 H THR 8 10.334 4.864 -10.692
31 HA THR 8 HA THR 8 8.940 2.467 -11.660
32 HB THR 8 HB THR 8 11.016 2.616 -12.943
33 HG1 THR 8 HG1 THR 8 11.782 0.548 -12.389
34 HG21 THR 8 3HG2 THR 8 12.489 3.891 -11.646
35 HG22 THR 8 1HG2 THR 8 13.178 2.269 -11.590
36 HG23 THR 8 2HG2 THR 8 12.252 2.882 -10.219
37 H GLY 9 H GLY 9 8.713 0.819 -10.178
38 HA2 GLY 9 1HA GLY 9 9.182 -0.320 -8.152
39 HA3 GLY 9 2HA GLY 9 10.006 1.117 -7.565
40 H GLU 10 H GLU 10 7.217 -0.711 -7.368
41 HA GLU 10 HA GLU 10 5.664 1.548 -6.297
42 HB2 GLU 10 1HB GLU 10 4.654 0.216 -8.171
43 HB3 GLU 10 2HB GLU 10 4.631 -1.175 -7.096
44 HG2 GLU 10 1HG GLU 10 2.474 -0.312 -6.981
45 HG3 GLU 10 2HG GLU 10 3.260 0.275 -5.516
46 H LYS 11 H LYS 11 5.960 1.721 -4.172
47 HA LYS 11 HA LYS 11 6.981 0.040 -2.352
48 HB2 LYS 11 1HB LYS 11 4.842 2.104 -2.156
49 HB3 LYS 11 2HB LYS 11 5.116 1.076 -0.756
50 HG2 LYS 11 1HG LYS 11 6.533 2.776 -0.255
51 HG3 LYS 11 2HG LYS 11 7.631 1.760 -1.193
52 HD2 LYS 11 1HD LYS 11 6.767 3.148 -3.214
53 HD3 LYS 11 2HD LYS 11 6.261 4.303 -1.978
54 HE2 LYS 11 1HE LYS 11 9.056 3.209 -2.086
55 HE3 LYS 11 2HE LYS 11 8.573 4.620 -3.026
56 HZ1 LYS 11 3HZ LYS 11 8.352 4.379 -0.074
57 HZ2 LYS 11 1HZ LYS 11 7.956 5.742 -0.995
58 HZ3 LYS 11 2HZ LYS 11 9.564 5.227 -0.895
59 HA PRO 12 HA PRO 12 4.173 -3.460 -2.670
60 HB2 PRO 12 1HB PRO 12 5.751 -5.145 -1.241
61 HB3 PRO 12 2HB PRO 12 6.037 -4.775 -2.946
62 HG2 PRO 12 1HG PRO 12 7.360 -3.638 -0.513
63 HG3 PRO 12 2HG PRO 12 8.088 -4.151 -2.046
64 HD2 PRO 12 1HD PRO 12 7.595 -1.553 -1.466
65 HD3 PRO 12 2HD PRO 12 7.514 -2.194 -3.119
66 H TYR 13 H TYR 13 4.933 -1.467 -0.126
67 HA TYR 13 HA TYR 13 3.010 -2.840 1.617
68 HB2 TYR 13 1HB TYR 13 5.498 -1.481 2.660
69 HB3 TYR 13 2HB TYR 13 4.329 -2.424 3.578
70 HD1 TYR 13 HD2 TYR 13 4.219 -4.893 3.260
71 HD2 TYR 13 HD1 TYR 13 7.284 -2.531 1.490
72 HE1 TYR 13 HE2 TYR 13 5.566 -6.920 2.901
73 HE2 TYR 13 HE1 TYR 13 8.639 -4.551 1.126
74 HH TYR 13 HH TYR 13 7.766 -7.337 0.910
75 H LYS 14 H LYS 14 1.345 -1.452 1.252
76 HA LYS 14 HA LYS 14 1.789 1.359 2.016
77 HB2 LYS 14 1HB LYS 14 1.359 1.376 -0.324
78 HB3 LYS 14 2HB LYS 14 0.044 0.219 -0.162
79 HG2 LYS 14 1HG LYS 14 -1.342 1.854 0.913
80 HG3 LYS 14 2HG LYS 14 -0.007 3.007 0.972
81 HD2 LYS 14 1HD LYS 14 -1.279 3.708 -0.859
82 HD3 LYS 14 2HD LYS 14 0.038 2.784 -1.586
83 HE2 LYS 14 1HE LYS 14 -1.337 0.983 -2.090
84 HE3 LYS 14 2HE LYS 14 -2.546 1.444 -0.892
85 HZ1 LYS 14 3HZ LYS 14 -2.587 3.554 -2.539
86 HZ2 LYS 14 1HZ LYS 14 -3.629 2.227 -2.673
87 HZ3 LYS 14 2HZ LYS 14 -2.239 2.312 -3.633
88 H CYS 15 H CYS 15 0.572 2.103 3.636
89 HA CYS 15 HA CYS 15 -0.910 0.553 5.324
90 HB2 CYS 15 1HB CYS 15 -0.158 3.110 5.396
91 HB3 CYS 15 2HB CYS 15 -1.843 3.357 4.950
92 H ASP 16 H ASP 16 -3.150 0.261 5.714
93 HA ASP 16 HA ASP 16 -4.781 0.418 3.267
94 HB2 ASP 16 1HB ASP 16 -4.666 -1.569 5.509
95 HB3 ASP 16 2HB ASP 16 -6.157 -1.377 4.591
96 H VAL 17 H VAL 17 -4.333 2.340 5.643
97 HA VAL 17 HA VAL 17 -7.196 2.825 6.141
98 HB VAL 17 HB VAL 17 -6.573 2.197 8.264
99 HG11 VAL 17 1HG1 VAL 17 -4.195 1.835 7.674
100 HG12 VAL 17 2HG1 VAL 17 -3.902 3.556 7.929
101 HG13 VAL 17 3HG1 VAL 17 -4.413 2.539 9.276
102 HG21 VAL 17 3HG2 VAL 17 -6.311 4.203 9.629
103 HG22 VAL 17 1HG2 VAL 17 -5.827 5.119 8.203
104 HG23 VAL 17 2HG2 VAL 17 -7.465 4.477 8.323
105 H CYS 18 H CYS 18 -3.968 4.194 5.779
106 HA CYS 18 HA CYS 18 -5.208 6.801 5.185
107 HB2 CYS 18 1HB CYS 18 -3.273 7.906 6.019
108 HB3 CYS 18 2HB CYS 18 -3.702 6.691 7.220
109 H HIS 19 H HIS 19 -3.510 4.184 3.926
110 HA HIS 19 HA HIS 19 -2.709 3.746 1.838
111 HB2 HIS 19 1HB HIS 19 -3.469 6.572 1.090
112 HB3 HIS 19 2HB HIS 19 -3.239 5.201 0.009
113 HD2 HIS 19 HD2 HIS 19 -5.231 3.237 2.023
114 HE1 HIS 19 HE1 HIS 19 -8.166 5.936 0.574
115 HE2 HIS 19 HE2 HIS 19 -7.752 3.751 1.757
116 H LYS 20 H LYS 20 -0.830 4.220 3.609
117 HA LYS 20 HA LYS 20 0.998 6.206 2.446
118 HB2 LYS 20 1HB LYS 20 0.694 5.019 5.166
119 HB3 LYS 20 2HB LYS 20 2.300 5.524 4.655
120 HG2 LYS 20 1HG LYS 20 0.007 7.409 4.365
121 HG3 LYS 20 2HG LYS 20 0.752 7.168 5.947
122 HD2 LYS 20 1HD LYS 20 2.353 7.835 3.490
123 HD3 LYS 20 2HD LYS 20 1.661 9.076 4.537
124 HE2 LYS 20 1HE LYS 20 2.856 7.862 6.448
125 HE3 LYS 20 2HE LYS 20 3.759 7.027 5.185
126 HZ1 LYS 20 3HZ LYS 20 5.125 8.761 5.232
127 HZ2 LYS 20 1HZ LYS 20 4.069 9.687 6.176
128 HZ3 LYS 20 2HZ LYS 20 3.901 9.665 4.493
129 H SER 21 H SER 21 2.257 5.348 0.925
130 HA SER 21 HA SER 21 2.878 2.596 0.727
131 HB2 SER 21 1HB SER 21 4.731 3.628 -0.875
132 HB3 SER 21 2HB SER 21 3.028 3.612 -1.333
133 HG SER 21 HG SER 21 2.865 5.740 -0.831
134 H PHE 22 H PHE 22 4.828 1.502 1.069
135 HA PHE 22 HA PHE 22 6.962 2.877 2.496
136 HB2 PHE 22 1HB PHE 22 5.424 0.551 3.664
137 HB3 PHE 22 2HB PHE 22 6.966 1.126 4.288
138 HD1 PHE 22 HD1 PHE 22 7.127 3.310 5.380
139 HD2 PHE 22 HD2 PHE 22 3.394 1.741 4.070
140 HE1 PHE 22 HE1 PHE 22 5.948 4.951 6.785
141 HE2 PHE 22 HE2 PHE 22 2.209 3.379 5.472
142 HZ PHE 22 HZ PHE 22 3.486 4.987 6.831
143 H ARG 23 H ARG 23 8.605 2.399 1.178
144 HA ARG 23 HA ARG 23 8.931 0.372 -0.588
145 HB2 ARG 23 1HB ARG 23 10.537 2.157 -0.469
146 HB3 ARG 23 2HB ARG 23 11.035 1.670 1.145
147 HG2 ARG 23 1HG ARG 23 12.743 0.851 -0.160
148 HG3 ARG 23 2HG ARG 23 11.693 -0.559 -0.003
149 HD2 ARG 23 1HD ARG 23 10.804 -0.251 -2.177
150 HD3 ARG 23 2HD ARG 23 11.516 1.357 -2.315
151 HE ARG 23 HE ARG 23 13.428 0.374 -3.063
152 HH11 ARG 23 1HH1 ARG 23 11.595 -1.992 -1.284
153 HH12 ARG 23 2HH1 ARG 23 12.680 -3.294 -1.644
154 HH21 ARG 23 1HH2 ARG 23 14.864 -1.333 -3.544
155 HH22 ARG 23 2HH2 ARG 23 14.539 -2.918 -2.929
156 H TYR 24 H TYR 24 9.350 0.194 2.883
157 HA TYR 24 HA TYR 24 9.926 -2.685 2.618
158 HB2 TYR 24 1HB TYR 24 10.864 -0.683 4.667
159 HB3 TYR 24 2HB TYR 24 10.917 -2.417 4.965
160 HD1 TYR 24 HD2 TYR 24 11.740 -0.318 1.980
161 HD2 TYR 24 HD1 TYR 24 13.093 -3.169 4.834
162 HE1 TYR 24 HE2 TYR 24 13.903 -0.446 0.818
163 HE2 TYR 24 HE1 TYR 24 15.261 -3.304 3.680
164 HH TYR 24 HH TYR 24 16.325 -2.812 1.697
165 H GLY 25 H GLY 25 8.919 -4.111 4.089
166 HA2 GLY 25 1HA GLY 25 6.240 -3.400 4.749
167 HA3 GLY 25 2HA GLY 25 7.037 -4.916 5.142
168 H SER 26 H SER 26 9.202 -3.733 6.624
169 HA SER 26 HA SER 26 8.095 -3.724 9.187
170 HB2 SER 26 1HB SER 26 10.753 -2.835 8.095
171 HB3 SER 26 2HB SER 26 10.366 -2.629 9.803
172 HG SER 26 HG SER 26 10.500 -5.038 8.322
173 H SER 27 H SER 27 9.205 -0.998 7.193
174 HA SER 27 HA SER 27 8.715 1.066 8.977
175 HB2 SER 27 1HB SER 27 8.371 1.125 5.969
176 HB3 SER 27 2HB SER 27 8.573 2.533 7.011
177 HG SER 27 HG SER 27 10.441 0.647 6.176
178 H LEU 28 H LEU 28 6.508 -0.371 6.593
179 HA LEU 28 HA LEU 28 4.311 1.256 6.924
180 HB2 LEU 28 1HB LEU 28 4.265 -0.380 5.224
181 HB3 LEU 28 2HB LEU 28 4.525 -1.690 6.373
182 HG LEU 28 HG LEU 28 2.257 -1.330 7.263
183 HD11 LEU 28 1HD1 LEU 28 2.400 1.147 6.211
184 HD12 LEU 28 2HD1 LEU 28 0.890 0.346 6.643
185 HD13 LEU 28 3HD1 LEU 28 1.449 0.330 4.971
186 HD21 LEU 28 3HD2 LEU 28 2.475 -3.023 5.616
187 HD22 LEU 28 1HD2 LEU 28 2.541 -1.839 4.310
188 HD23 LEU 28 2HD2 LEU 28 1.037 -2.091 5.196
189 H THR 29 H THR 29 4.695 -1.895 8.556
190 HA THR 29 HA THR 29 2.614 -1.696 10.336
191 HB THR 29 HB THR 29 5.310 -2.977 10.826
192 HG1 THR 29 HG1 THR 29 4.564 -4.503 9.570
193 HG21 THR 29 3HG2 THR 29 4.410 -4.122 12.642
194 HG22 THR 29 1HG2 THR 29 2.749 -3.781 12.162
195 HG23 THR 29 2HG2 THR 29 3.752 -2.499 12.841
196 H VAL 30 H VAL 30 5.999 -0.768 10.982
197 HA VAL 30 HA VAL 30 5.687 0.230 13.537
198 HB VAL 30 HB VAL 30 7.519 1.280 11.376
199 HG11 VAL 30 1HG1 VAL 30 8.877 2.168 13.190
200 HG12 VAL 30 2HG1 VAL 30 7.256 2.865 13.230
201 HG13 VAL 30 3HG1 VAL 30 7.699 1.595 14.371
202 HG21 VAL 30 3HG2 VAL 30 8.548 -0.682 11.584
203 HG22 VAL 30 1HG2 VAL 30 8.948 -0.227 13.240
204 HG23 VAL 30 2HG2 VAL 30 7.489 -1.161 12.911
205 H HIS 31 H HIS 31 4.550 1.534 10.568
206 HA HIS 31 HA HIS 31 4.167 4.203 11.663
207 HB2 HIS 31 1HB HIS 31 4.690 4.491 9.454
208 HB3 HIS 31 2HB HIS 31 3.969 2.958 8.973
209 HD1 HIS 31 HD1 HIS 31 3.283 6.567 9.206
210 HD2 HIS 31 HD2 HIS 31 1.122 3.071 8.600
211 HE1 HIS 31 HE1 HIS 31 1.049 7.303 8.316
212 H GLN 32 H GLN 32 2.207 1.480 10.510
213 HA GLN 32 HA GLN 32 -0.318 2.565 10.824
214 HB2 GLN 32 1HB GLN 32 0.454 -0.292 11.432
215 HB3 GLN 32 2HB GLN 32 -1.142 0.292 10.983
216 HG2 GLN 32 1HG GLN 32 -0.115 1.044 8.803
217 HG3 GLN 32 2HG GLN 32 1.317 0.126 9.269
218 HE21 GLN 32 1HE2 GLN 32 -2.139 -0.134 8.651
219 HE22 GLN 32 2HE2 GLN 32 -2.113 -1.791 8.165
220 H ARG 33 H ARG 33 1.994 1.951 13.211
221 HA ARG 33 HA ARG 33 0.586 1.163 15.436
222 HB2 ARG 33 1HB ARG 33 2.780 3.240 15.300
223 HB3 ARG 33 2HB ARG 33 2.249 2.421 16.763
224 HG2 ARG 33 1HG ARG 33 2.834 0.254 15.486
225 HG3 ARG 33 2HG ARG 33 3.760 1.323 14.431
226 HD2 ARG 33 1HD ARG 33 5.285 1.831 16.054
227 HD3 ARG 33 2HD ARG 33 4.127 1.606 17.364
228 HE ARG 33 HE ARG 33 4.425 -0.897 16.488
229 HH11 ARG 33 1HH1 ARG 33 6.771 1.571 17.213
230 HH12 ARG 33 2HH1 ARG 33 8.001 0.446 17.684
231 HH21 ARG 33 1HH2 ARG 33 6.036 -2.388 17.106
232 HH22 ARG 33 2HH2 ARG 33 7.583 -1.806 17.623
233 H ILE 34 H ILE 34 0.715 4.349 13.945
234 HA ILE 34 HA ILE 34 -0.656 5.725 16.015
235 HB ILE 34 HB ILE 34 -0.643 7.585 14.652
236 HG12 ILE 34 1HG1 ILE 34 -2.067 6.527 12.887
237 HG13 ILE 34 2HG1 ILE 34 -0.817 7.588 12.248
238 HG21 ILE 34 1HG2 ILE 34 1.488 6.035 13.219
239 HG22 ILE 34 2HG2 ILE 34 1.490 7.729 13.708
240 HG23 ILE 34 3HG2 ILE 34 1.642 6.461 14.924
241 HD11 ILE 34 3HD1 ILE 34 -1.214 5.367 11.072
242 HD12 ILE 34 1HD1 ILE 34 0.452 5.801 11.455
243 HD13 ILE 34 2HD1 ILE 34 -0.407 4.630 12.456
244 H HIS 35 H HIS 35 -1.685 3.679 13.441
245 HA HIS 35 HA HIS 35 -4.411 4.640 13.422
246 HB2 HIS 35 1HB HIS 35 -3.095 2.253 12.115
247 HB3 HIS 35 2HB HIS 35 -4.792 2.674 11.909
248 HD1 HIS 35 HD1 HIS 35 -4.659 5.646 11.402
249 HD2 HIS 35 HD2 HIS 35 -1.957 2.949 9.762
250 HE1 HIS 35 HE1 HIS 35 -3.724 6.786 9.365
251 H THR 36 H THR 36 -2.563 2.464 15.269
252 HA THR 36 HA THR 36 -5.008 1.179 16.300
253 HB THR 36 HB THR 36 -3.445 -0.437 15.317
254 HG1 THR 36 HG1 THR 36 -3.745 -0.472 18.145
255 HG21 THR 36 3HG2 THR 36 -1.491 0.337 17.474
256 HG22 THR 36 1HG2 THR 36 -1.393 0.958 15.827
257 HG23 THR 36 2HG2 THR 36 -1.240 -0.773 16.128
258 H GLY 37 H GLY 37 -4.237 3.741 17.174
259 HA2 GLY 37 1HA GLY 37 -3.148 3.205 19.863
260 HA3 GLY 37 2HA GLY 37 -3.087 4.762 19.051
261 H GLU 38 H GLU 38 -4.127 5.944 20.609
262 HA GLU 38 HA GLU 38 -6.646 5.074 21.706
263 HB2 GLU 38 1HB GLU 38 -4.901 6.452 22.934
264 HB3 GLU 38 2HB GLU 38 -5.412 7.815 21.948
265 HG2 GLU 38 1HG GLU 38 -6.543 7.999 24.009
266 HG3 GLU 38 2HG GLU 38 -7.732 7.460 22.824
267 H LYS 39 H LYS 39 -6.878 5.138 18.981
268 HA LYS 39 HA LYS 39 -8.338 7.607 18.364
269 HB2 LYS 39 1HB LYS 39 -7.177 5.422 16.651
270 HB3 LYS 39 2HB LYS 39 -8.351 6.564 16.009
271 HG2 LYS 39 1HG LYS 39 -5.943 7.616 17.406
272 HG3 LYS 39 2HG LYS 39 -5.779 6.987 15.765
273 HD2 LYS 39 1HD LYS 39 -7.853 9.032 16.524
274 HD3 LYS 39 2HD LYS 39 -6.231 9.474 15.983
275 HE2 LYS 39 1HE LYS 39 -7.868 7.587 14.347
276 HE3 LYS 39 2HE LYS 39 -8.207 9.315 14.274
277 HZ1 LYS 39 3HZ LYS 39 -6.084 7.849 13.077
278 HZ2 LYS 39 1HZ LYS 39 -5.479 9.102 14.040
279 HZ3 LYS 39 2HZ LYS 39 -6.575 9.443 12.797
280 HA PRO 40 HA PRO 40 -12.096 5.353 19.148
281 HB2 PRO 40 1HB PRO 40 -13.781 7.360 18.436
282 HB3 PRO 40 2HB PRO 40 -12.923 7.329 19.981
283 HG2 PRO 40 1HG PRO 40 -12.254 8.818 17.472
284 HG3 PRO 40 2HG PRO 40 -12.195 9.377 19.154
285 HD2 PRO 40 1HD PRO 40 -9.984 8.597 17.800
286 HD3 PRO 40 2HD PRO 40 -10.163 8.365 19.551
287 H SER 41 H SER 41 -10.751 6.182 16.229
288 HA SER 41 HA SER 41 -12.845 4.735 14.772
289 HB2 SER 41 1HB SER 41 -12.816 7.365 14.499
290 HB3 SER 41 2HB SER 41 -11.484 7.016 13.397
291 HG SER 41 HG SER 41 -12.977 6.570 12.000
292 H GLY 42 H GLY 42 -12.106 3.284 13.306
293 HA2 GLY 42 1HA GLY 42 -9.781 3.317 11.840
294 HA3 GLY 42 2HA GLY 42 -9.330 2.600 13.380
295 HA PRO 43 HA PRO 43 -11.107 -0.604 10.399
296 HB2 PRO 43 1HB PRO 43 -8.830 -2.046 10.069
297 HB3 PRO 43 2HB PRO 43 -9.268 -0.690 9.024
298 HG2 PRO 43 1HG PRO 43 -7.375 -0.761 11.342
299 HG3 PRO 43 2HG PRO 43 -7.182 0.025 9.764
300 HD2 PRO 43 1HD PRO 43 -7.898 1.387 11.992
301 HD3 PRO 43 2HD PRO 43 -8.464 1.842 10.372
302 H SER 44 H SER 44 -12.261 -1.279 12.276
303 HA SER 44 HA SER 44 -10.903 -2.832 14.300
304 HB2 SER 44 1HB SER 44 -13.042 -1.293 14.512
305 HB3 SER 44 2HB SER 44 -13.885 -2.774 14.056
306 HG SER 44 HG SER 44 -13.266 -2.197 16.428
307 H SER 45 H SER 45 -12.173 -4.959 14.928
308 HA SER 45 HA SER 45 -11.812 -6.739 12.685
309 HB2 SER 45 1HB SER 45 -11.056 -7.253 15.040
310 HB3 SER 45 2HB SER 45 -12.755 -7.451 15.469
311 HG SER 45 HG SER 45 -12.893 -9.186 14.107
312 H GLY 46 H GLY 46 -13.898 -5.056 12.120
313 HA2 GLY 46 1HA GLY 46 -16.085 -5.040 11.422
314 HA3 GLY 46 2HA GLY 46 -15.930 -6.789 11.340
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -7.877 20.500 -3.566
2 HA2 GLY 1 1HA GLY 1 -6.130 21.333 -1.904
3 HA3 GLY 1 2HA GLY 1 -6.690 19.995 -0.913
4 H SER 2 H SER 2 -4.196 20.866 -2.703
5 HA SER 2 HA SER 2 -3.560 19.173 -4.666
6 HB2 SER 2 1HB SER 2 -2.050 20.821 -3.321
7 HB3 SER 2 2HB SER 2 -1.598 19.386 -2.401
8 HG SER 2 HG SER 2 -1.019 20.075 -5.028
9 H SER 3 H SER 3 -3.151 17.052 -5.016
10 HA SER 3 HA SER 3 -4.075 15.171 -3.064
11 HB2 SER 3 1HB SER 3 -4.253 15.047 -5.655
12 HB3 SER 3 2HB SER 3 -2.616 14.396 -5.576
13 HG SER 3 HG SER 3 -4.949 13.163 -5.081
14 H GLY 4 H GLY 4 -2.845 13.324 -2.299
15 HA2 GLY 4 1HA GLY 4 -0.195 14.139 -1.439
16 HA3 GLY 4 2HA GLY 4 -1.088 12.732 -0.882
17 H SER 5 H SER 5 1.401 13.851 -2.874
18 HA SER 5 HA SER 5 1.498 12.013 -4.945
19 HB2 SER 5 1HB SER 5 3.054 14.048 -4.342
20 HB3 SER 5 2HB SER 5 4.033 12.808 -3.558
21 HG SER 5 HG SER 5 4.455 13.316 -5.874
22 H SER 6 H SER 6 1.949 9.906 -5.114
23 HA SER 6 HA SER 6 2.419 8.405 -2.668
24 HB2 SER 6 1HB SER 6 1.936 6.423 -4.047
25 HB3 SER 6 2HB SER 6 0.667 7.636 -4.209
26 HG SER 6 HG SER 6 2.245 6.575 -6.108
27 H GLY 7 H GLY 7 4.613 9.942 -3.402
28 HA2 GLY 7 1HA GLY 7 6.902 9.674 -3.470
29 HA3 GLY 7 2HA GLY 7 6.646 7.935 -3.507
30 H THR 8 H THR 8 8.330 7.725 -5.040
31 HA THR 8 HA THR 8 8.148 9.042 -7.591
32 HB THR 8 HB THR 8 10.024 7.475 -8.223
33 HG1 THR 8 HG1 THR 8 10.229 5.803 -6.946
34 HG21 THR 8 3HG2 THR 8 10.629 9.644 -7.482
35 HG22 THR 8 1HG2 THR 8 11.654 8.522 -6.587
36 HG23 THR 8 2HG2 THR 8 10.254 9.255 -5.803
37 H GLY 9 H GLY 9 7.951 5.621 -6.574
38 HA2 GLY 9 1HA GLY 9 6.210 5.158 -8.917
39 HA3 GLY 9 2HA GLY 9 7.422 3.996 -8.398
40 H GLU 10 H GLU 10 6.815 2.431 -7.041
41 HA GLU 10 HA GLU 10 4.477 2.839 -5.332
42 HB2 GLU 10 1HB GLU 10 4.780 0.522 -7.252
43 HB3 GLU 10 2HB GLU 10 3.544 0.643 -6.007
44 HG2 GLU 10 1HG GLU 10 2.491 2.454 -7.086
45 HG3 GLU 10 2HG GLU 10 3.857 2.696 -8.173
46 H LYS 11 H LYS 11 4.273 1.202 -3.648
47 HA LYS 11 HA LYS 11 6.831 -0.131 -3.046
48 HB2 LYS 11 1HB LYS 11 4.975 1.122 -1.017
49 HB3 LYS 11 2HB LYS 11 6.547 0.399 -0.704
50 HG2 LYS 11 1HG LYS 11 6.067 2.870 -2.358
51 HG3 LYS 11 2HG LYS 11 6.622 2.846 -0.683
52 HD2 LYS 11 1HD LYS 11 8.689 1.919 -1.258
53 HD3 LYS 11 2HD LYS 11 8.106 1.368 -2.831
54 HE2 LYS 11 1HE LYS 11 8.263 4.283 -2.126
55 HE3 LYS 11 2HE LYS 11 9.648 3.410 -2.778
56 HZ1 LYS 11 3HZ LYS 11 8.020 2.724 -4.617
57 HZ2 LYS 11 1HZ LYS 11 8.638 4.298 -4.643
58 HZ3 LYS 11 2HZ LYS 11 7.071 4.015 -4.076
59 HA PRO 12 HA PRO 12 4.498 -3.837 -2.617
60 HB2 PRO 12 1HB PRO 12 6.163 -5.224 -0.983
61 HB3 PRO 12 2HB PRO 12 6.512 -4.940 -2.692
62 HG2 PRO 12 1HG PRO 12 7.543 -3.493 -0.282
63 HG3 PRO 12 2HG PRO 12 8.419 -4.021 -1.731
64 HD2 PRO 12 1HD PRO 12 7.600 -1.465 -1.374
65 HD3 PRO 12 2HD PRO 12 7.697 -2.221 -2.977
66 H TYR 13 H TYR 13 5.107 -1.707 -0.051
67 HA TYR 13 HA TYR 13 3.079 -3.066 1.585
68 HB2 TYR 13 1HB TYR 13 5.516 -1.696 2.733
69 HB3 TYR 13 2HB TYR 13 4.283 -2.588 3.617
70 HD1 TYR 13 HD2 TYR 13 4.177 -5.051 3.449
71 HD2 TYR 13 HD1 TYR 13 7.307 -2.827 1.616
72 HE1 TYR 13 HE2 TYR 13 5.502 -7.111 3.226
73 HE2 TYR 13 HE1 TYR 13 8.641 -4.881 1.387
74 HH TYR 13 HH TYR 13 7.659 -7.883 2.867
75 H LYS 14 H LYS 14 1.399 -1.722 1.268
76 HA LYS 14 HA LYS 14 1.809 1.123 1.917
77 HB2 LYS 14 1HB LYS 14 1.382 1.031 -0.429
78 HB3 LYS 14 2HB LYS 14 0.061 -0.109 -0.211
79 HG2 LYS 14 1HG LYS 14 -1.404 1.511 0.502
80 HG3 LYS 14 2HG LYS 14 -0.115 2.586 1.050
81 HD2 LYS 14 1HD LYS 14 -0.893 3.631 -0.877
82 HD3 LYS 14 2HD LYS 14 0.514 2.733 -1.451
83 HE2 LYS 14 1HE LYS 14 -0.957 0.935 -2.225
84 HE3 LYS 14 2HE LYS 14 -2.360 1.834 -1.650
85 HZ1 LYS 14 3HZ LYS 14 -1.113 3.628 -3.234
86 HZ2 LYS 14 1HZ LYS 14 -2.408 2.649 -3.713
87 HZ3 LYS 14 2HZ LYS 14 -0.820 2.179 -4.057
88 H CYS 15 H CYS 15 0.591 1.899 3.518
89 HA CYS 15 HA CYS 15 -0.895 0.368 5.234
90 HB2 CYS 15 1HB CYS 15 -0.115 2.928 5.264
91 HB3 CYS 15 2HB CYS 15 -1.809 3.173 4.855
92 H ASP 16 H ASP 16 -3.147 0.137 5.638
93 HA ASP 16 HA ASP 16 -4.777 0.294 3.190
94 HB2 ASP 16 1HB ASP 16 -4.232 -1.987 4.275
95 HB3 ASP 16 2HB ASP 16 -5.381 -1.509 5.522
96 H VAL 17 H VAL 17 -4.305 2.247 5.509
97 HA VAL 17 HA VAL 17 -7.158 2.746 6.046
98 HB VAL 17 HB VAL 17 -6.491 2.133 8.167
99 HG11 VAL 17 1HG1 VAL 17 -4.327 2.524 9.147
100 HG12 VAL 17 2HG1 VAL 17 -4.110 1.816 7.545
101 HG13 VAL 17 3HG1 VAL 17 -3.853 3.544 7.789
102 HG21 VAL 17 3HG2 VAL 17 -6.250 4.161 9.504
103 HG22 VAL 17 1HG2 VAL 17 -5.805 5.069 8.058
104 HG23 VAL 17 2HG2 VAL 17 -7.428 4.394 8.212
105 H CYS 18 H CYS 18 -3.924 4.113 5.673
106 HA CYS 18 HA CYS 18 -5.166 6.709 5.034
107 HB2 CYS 18 1HB CYS 18 -3.247 7.826 5.858
108 HB3 CYS 18 2HB CYS 18 -3.625 6.595 7.059
109 H HIS 19 H HIS 19 -3.394 4.083 3.837
110 HA HIS 19 HA HIS 19 -2.674 3.612 1.719
111 HB2 HIS 19 1HB HIS 19 -3.262 6.454 0.913
112 HB3 HIS 19 2HB HIS 19 -3.219 5.017 -0.105
113 HD2 HIS 19 HD2 HIS 19 -5.303 3.348 2.060
114 HE1 HIS 19 HE1 HIS 19 -8.017 6.285 0.644
115 HE2 HIS 19 HE2 HIS 19 -7.769 4.108 1.887
116 H LYS 20 H LYS 20 -0.844 4.206 3.629
117 HA LYS 20 HA LYS 20 1.071 6.065 2.421
118 HB2 LYS 20 1HB LYS 20 0.669 4.935 5.142
119 HB3 LYS 20 2HB LYS 20 2.321 5.299 4.660
120 HG2 LYS 20 1HG LYS 20 0.170 7.346 4.326
121 HG3 LYS 20 2HG LYS 20 0.931 7.090 5.898
122 HD2 LYS 20 1HD LYS 20 2.523 7.581 3.393
123 HD3 LYS 20 2HD LYS 20 1.939 8.895 4.417
124 HE2 LYS 20 1HE LYS 20 3.175 8.032 6.300
125 HE3 LYS 20 2HE LYS 20 3.663 6.614 5.374
126 HZ1 LYS 20 3HZ LYS 20 5.103 8.885 5.617
127 HZ2 LYS 20 1HZ LYS 20 4.352 9.108 4.118
128 HZ3 LYS 20 2HZ LYS 20 5.303 7.737 4.391
129 H SER 21 H SER 21 2.303 5.161 0.903
130 HA SER 21 HA SER 21 2.868 2.392 0.740
131 HB2 SER 21 1HB SER 21 4.429 3.033 -1.066
132 HB3 SER 21 2HB SER 21 2.861 3.819 -1.248
133 HG SER 21 HG SER 21 5.187 4.991 -0.117
134 H PHE 22 H PHE 22 4.898 1.324 0.953
135 HA PHE 22 HA PHE 22 7.044 2.660 2.360
136 HB2 PHE 22 1HB PHE 22 5.485 0.411 3.649
137 HB3 PHE 22 2HB PHE 22 7.035 1.010 4.231
138 HD1 PHE 22 HD1 PHE 22 7.209 3.294 5.151
139 HD2 PHE 22 HD2 PHE 22 3.465 1.574 4.084
140 HE1 PHE 22 HE1 PHE 22 6.048 5.002 6.489
141 HE2 PHE 22 HE2 PHE 22 2.297 3.279 5.419
142 HZ PHE 22 HZ PHE 22 3.589 4.997 6.623
143 H ARG 23 H ARG 23 8.739 2.046 1.197
144 HA ARG 23 HA ARG 23 8.923 -0.093 -0.526
145 HB2 ARG 23 1HB ARG 23 10.542 1.667 -0.636
146 HB3 ARG 23 2HB ARG 23 11.087 1.348 1.006
147 HG2 ARG 23 1HG ARG 23 12.163 -0.647 0.371
148 HG3 ARG 23 2HG ARG 23 11.352 -0.674 -1.196
149 HD2 ARG 23 1HD ARG 23 12.573 1.671 -1.435
150 HD3 ARG 23 2HD ARG 23 13.677 0.930 -0.277
151 HE ARG 23 HE ARG 23 14.382 -0.533 -1.915
152 HH11 ARG 23 1HH1 ARG 23 11.595 1.241 -3.014
153 HH12 ARG 23 2HH1 ARG 23 11.751 0.721 -4.659
154 HH21 ARG 23 1HH2 ARG 23 14.597 -1.225 -4.078
155 HH22 ARG 23 2HH2 ARG 23 13.457 -0.682 -5.263
156 H TYR 24 H TYR 24 9.390 -0.025 2.928
157 HA TYR 24 HA TYR 24 10.090 -2.887 2.866
158 HB2 TYR 24 1HB TYR 24 10.805 -0.721 4.837
159 HB3 TYR 24 2HB TYR 24 10.956 -2.431 5.228
160 HD1 TYR 24 HD2 TYR 24 11.845 -0.264 2.306
161 HD2 TYR 24 HD1 TYR 24 13.115 -3.209 5.102
162 HE1 TYR 24 HE2 TYR 24 14.065 -0.303 1.247
163 HE2 TYR 24 HE1 TYR 24 15.339 -3.256 4.052
164 HH TYR 24 HH TYR 24 16.597 -1.062 2.313
165 H GLY 25 H GLY 25 9.062 -4.293 4.318
166 HA2 GLY 25 1HA GLY 25 6.331 -3.677 4.843
167 HA3 GLY 25 2HA GLY 25 7.175 -5.141 5.327
168 H SER 26 H SER 26 9.209 -3.889 6.877
169 HA SER 26 HA SER 26 7.939 -3.764 9.369
170 HB2 SER 26 1HB SER 26 10.681 -2.876 8.467
171 HB3 SER 26 2HB SER 26 10.163 -2.801 10.151
172 HG SER 26 HG SER 26 10.216 -5.140 8.540
173 H SER 27 H SER 27 9.149 -1.178 7.264
174 HA SER 27 HA SER 27 8.701 1.002 8.908
175 HB2 SER 27 1HB SER 27 8.313 0.891 5.907
176 HB3 SER 27 2HB SER 27 8.590 2.346 6.865
177 HG SER 27 HG SER 27 10.395 0.162 6.726
178 H LEU 28 H LEU 28 6.452 -0.504 6.601
179 HA LEU 28 HA LEU 28 4.288 1.176 6.884
180 HB2 LEU 28 1HB LEU 28 4.212 -0.519 5.240
181 HB3 LEU 28 2HB LEU 28 4.437 -1.792 6.438
182 HG LEU 28 HG LEU 28 2.176 -1.329 7.313
183 HD11 LEU 28 1HD1 LEU 28 2.444 1.019 5.744
184 HD12 LEU 28 2HD1 LEU 28 1.122 0.553 6.815
185 HD13 LEU 28 3HD1 LEU 28 1.084 0.089 5.114
186 HD21 LEU 28 3HD2 LEU 28 2.498 -2.025 4.406
187 HD22 LEU 28 1HD2 LEU 28 0.949 -2.134 5.243
188 HD23 LEU 28 2HD2 LEU 28 2.313 -3.114 5.782
189 H THR 29 H THR 29 4.672 -1.906 8.644
190 HA THR 29 HA THR 29 2.587 -1.628 10.417
191 HB THR 29 HB THR 29 5.276 -2.902 10.958
192 HG1 THR 29 HG1 THR 29 3.258 -3.577 9.335
193 HG21 THR 29 3HG2 THR 29 3.598 -2.333 12.910
194 HG22 THR 29 1HG2 THR 29 4.423 -3.890 12.850
195 HG23 THR 29 2HG2 THR 29 2.753 -3.755 12.299
196 H VAL 30 H VAL 30 5.984 -0.724 11.041
197 HA VAL 30 HA VAL 30 5.690 0.381 13.546
198 HB VAL 30 HB VAL 30 7.513 1.341 11.335
199 HG11 VAL 30 1HG1 VAL 30 8.912 2.185 13.220
200 HG12 VAL 30 2HG1 VAL 30 7.382 3.041 13.017
201 HG13 VAL 30 3HG1 VAL 30 7.564 1.850 14.306
202 HG21 VAL 30 3HG2 VAL 30 8.943 -0.097 13.258
203 HG22 VAL 30 1HG2 VAL 30 7.481 -1.037 12.960
204 HG23 VAL 30 2HG2 VAL 30 8.544 -0.611 11.619
205 H HIS 31 H HIS 31 4.583 1.604 10.520
206 HA HIS 31 HA HIS 31 4.215 4.309 11.512
207 HB2 HIS 31 1HB HIS 31 4.686 4.499 9.284
208 HB3 HIS 31 2HB HIS 31 3.962 2.944 8.888
209 HD1 HIS 31 HD1 HIS 31 3.277 6.555 8.940
210 HD2 HIS 31 HD2 HIS 31 1.100 3.034 8.586
211 HE1 HIS 31 HE1 HIS 31 1.023 7.244 8.062
212 H GLN 32 H GLN 32 2.206 1.555 10.527
213 HA GLN 32 HA GLN 32 -0.301 2.677 10.842
214 HB2 GLN 32 1HB GLN 32 0.458 -0.155 11.569
215 HB3 GLN 32 2HB GLN 32 -1.142 0.423 11.123
216 HG2 GLN 32 1HG GLN 32 -0.131 1.069 8.893
217 HG3 GLN 32 2HG GLN 32 1.280 0.131 9.377
218 HE21 GLN 32 1HE2 GLN 32 -1.919 0.044 8.179
219 HE22 GLN 32 2HE2 GLN 32 -2.054 -1.671 8.014
220 H ARG 33 H ARG 33 2.055 2.147 13.208
221 HA ARG 33 HA ARG 33 0.719 1.468 15.499
222 HB2 ARG 33 1HB ARG 33 2.904 3.522 15.133
223 HB3 ARG 33 2HB ARG 33 2.369 2.932 16.701
224 HG2 ARG 33 1HG ARG 33 2.897 0.591 15.706
225 HG3 ARG 33 2HG ARG 33 3.873 1.506 14.556
226 HD2 ARG 33 1HD ARG 33 4.153 2.025 17.484
227 HD3 ARG 33 2HD ARG 33 4.935 0.616 16.769
228 HE ARG 33 HE ARG 33 5.769 2.560 15.145
229 HH11 ARG 33 1HH1 ARG 33 5.632 2.385 18.619
230 HH12 ARG 33 2HH1 ARG 33 7.001 3.421 18.855
231 HH21 ARG 33 1HH2 ARG 33 7.571 3.925 15.442
232 HH22 ARG 33 2HH2 ARG 33 8.102 4.298 17.047
233 H ILE 34 H ILE 34 0.756 4.590 13.868
234 HA ILE 34 HA ILE 34 -0.615 6.021 15.900
235 HB ILE 34 HB ILE 34 -0.671 7.824 14.457
236 HG12 ILE 34 1HG1 ILE 34 -2.055 6.611 12.740
237 HG13 ILE 34 2HG1 ILE 34 -0.874 7.731 12.069
238 HG21 ILE 34 1HG2 ILE 34 1.456 7.980 13.478
239 HG22 ILE 34 2HG2 ILE 34 1.643 6.813 14.786
240 HG23 ILE 34 3HG2 ILE 34 1.511 6.255 13.118
241 HD11 ILE 34 3HD1 ILE 34 0.537 5.981 11.378
242 HD12 ILE 34 1HD1 ILE 34 -0.337 4.792 12.343
243 HD13 ILE 34 2HD1 ILE 34 -1.096 5.501 10.918
244 H HIS 35 H HIS 35 -1.637 3.917 13.347
245 HA HIS 35 HA HIS 35 -4.376 4.805 13.345
246 HB2 HIS 35 1HB HIS 35 -3.033 2.385 12.130
247 HB3 HIS 35 2HB HIS 35 -4.738 2.770 11.920
248 HD1 HIS 35 HD1 HIS 35 -4.649 5.724 11.292
249 HD2 HIS 35 HD2 HIS 35 -1.933 2.993 9.733
250 HE1 HIS 35 HE1 HIS 35 -3.750 6.789 9.199
251 H THR 36 H THR 36 -2.474 2.676 15.221
252 HA THR 36 HA THR 36 -4.890 1.408 16.332
253 HB THR 36 HB THR 36 -3.329 -0.233 15.444
254 HG1 THR 36 HG1 THR 36 -4.415 -0.389 17.686
255 HG21 THR 36 3HG2 THR 36 -1.088 -0.490 16.528
256 HG22 THR 36 1HG2 THR 36 -1.339 1.077 17.297
257 HG23 THR 36 2HG2 THR 36 -1.250 0.961 15.539
258 H GLY 37 H GLY 37 -5.094 1.222 18.604
259 HA2 GLY 37 1HA GLY 37 -4.471 1.670 20.839
260 HA3 GLY 37 2HA GLY 37 -3.208 2.739 20.247
261 H GLU 38 H GLU 38 -3.566 4.869 20.287
262 HA GLU 38 HA GLU 38 -6.109 5.813 21.297
263 HB2 GLU 38 1HB GLU 38 -3.995 6.709 22.188
264 HB3 GLU 38 2HB GLU 38 -3.595 7.339 20.596
265 HG2 GLU 38 1HG GLU 38 -5.873 8.583 20.829
266 HG3 GLU 38 2HG GLU 38 -5.636 8.284 22.549
267 H LYS 39 H LYS 39 -7.680 6.749 20.153
268 HA LYS 39 HA LYS 39 -7.268 8.228 17.771
269 HB2 LYS 39 1HB LYS 39 -8.457 6.705 16.213
270 HB3 LYS 39 2HB LYS 39 -6.904 6.072 16.744
271 HG2 LYS 39 1HG LYS 39 -8.044 4.630 18.356
272 HG3 LYS 39 2HG LYS 39 -9.600 5.261 17.814
273 HD2 LYS 39 1HD LYS 39 -9.222 4.368 15.592
274 HD3 LYS 39 2HD LYS 39 -7.611 3.818 16.061
275 HE2 LYS 39 1HE LYS 39 -9.060 1.929 16.134
276 HE3 LYS 39 2HE LYS 39 -8.705 2.385 17.799
277 HZ1 LYS 39 3HZ LYS 39 -10.953 3.800 17.177
278 HZ2 LYS 39 1HZ LYS 39 -10.892 2.382 18.098
279 HZ3 LYS 39 2HZ LYS 39 -11.216 2.300 16.440
280 HA PRO 40 HA PRO 40 -11.123 9.605 19.540
281 HB2 PRO 40 1HB PRO 40 -11.428 11.740 17.891
282 HB3 PRO 40 2HB PRO 40 -10.313 11.737 19.262
283 HG2 PRO 40 1HG PRO 40 -9.745 11.284 16.358
284 HG3 PRO 40 2HG PRO 40 -8.836 12.244 17.539
285 HD2 PRO 40 1HD PRO 40 -8.081 9.752 16.796
286 HD3 PRO 40 2HD PRO 40 -7.789 10.392 18.426
287 H SER 41 H SER 41 -10.654 9.504 16.008
288 HA SER 41 HA SER 41 -13.497 9.031 15.605
289 HB2 SER 41 1HB SER 41 -13.120 9.445 13.318
290 HB3 SER 41 2HB SER 41 -12.011 10.545 14.137
291 HG SER 41 HG SER 41 -10.451 9.573 13.143
292 H GLY 42 H GLY 42 -14.385 7.089 15.313
293 HA2 GLY 42 1HA GLY 42 -12.735 4.733 15.480
294 HA3 GLY 42 2HA GLY 42 -14.489 4.776 15.390
295 HA PRO 43 HA PRO 43 -12.343 3.690 11.240
296 HB2 PRO 43 1HB PRO 43 -12.393 0.979 11.375
297 HB3 PRO 43 2HB PRO 43 -11.016 1.942 11.921
298 HG2 PRO 43 1HG PRO 43 -13.226 0.718 13.526
299 HG3 PRO 43 2HG PRO 43 -11.487 0.768 13.871
300 HD2 PRO 43 1HD PRO 43 -13.254 2.455 15.040
301 HD3 PRO 43 2HD PRO 43 -11.581 2.926 14.676
302 H SER 44 H SER 44 -13.399 2.545 9.448
303 HA SER 44 HA SER 44 -16.128 3.021 9.307
304 HB2 SER 44 1HB SER 44 -14.523 2.683 7.374
305 HB3 SER 44 2HB SER 44 -14.682 0.948 7.649
306 HG SER 44 HG SER 44 -16.233 2.406 6.182
307 H SER 45 H SER 45 -17.951 1.817 9.598
308 HA SER 45 HA SER 45 -17.744 -0.442 11.362
309 HB2 SER 45 1HB SER 45 -20.073 -0.259 11.640
310 HB3 SER 45 2HB SER 45 -19.549 1.404 11.376
311 HG SER 45 HG SER 45 -21.103 1.286 9.929
312 H GLY 46 H GLY 46 -18.656 -2.534 10.979
313 HA2 GLY 46 1HA GLY 46 -19.770 -3.571 8.722
314 HA3 GLY 46 2HA GLY 46 -18.055 -3.518 8.340
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -12.467 14.280 -7.197
2 HA2 GLY 1 1HA GLY 1 -12.101 13.450 -9.309
3 HA3 GLY 1 2HA GLY 1 -10.619 14.393 -9.343
4 H SER 2 H SER 2 -9.474 12.746 -10.384
5 HA SER 2 HA SER 2 -9.321 10.100 -9.316
6 HB2 SER 2 1HB SER 2 -7.590 11.535 -11.342
7 HB3 SER 2 2HB SER 2 -7.461 9.819 -10.959
8 HG SER 2 HG SER 2 -9.425 9.460 -11.848
9 H SER 3 H SER 3 -8.774 10.522 -7.112
10 HA SER 3 HA SER 3 -6.684 11.949 -6.092
11 HB2 SER 3 1HB SER 3 -7.521 9.194 -5.155
12 HB3 SER 3 2HB SER 3 -6.676 10.409 -4.197
13 HG SER 3 HG SER 3 -9.072 10.226 -3.990
14 H GLY 4 H GLY 4 -4.567 11.959 -6.426
15 HA2 GLY 4 1HA GLY 4 -2.597 10.324 -6.180
16 HA3 GLY 4 2HA GLY 4 -3.323 9.552 -7.581
17 H SER 5 H SER 5 -1.921 12.593 -6.435
18 HA SER 5 HA SER 5 -1.541 13.539 -9.150
19 HB2 SER 5 1HB SER 5 -2.137 15.029 -7.167
20 HB3 SER 5 2HB SER 5 -0.471 14.814 -6.630
21 HG SER 5 HG SER 5 -1.331 15.920 -9.100
22 H SER 6 H SER 6 0.544 12.725 -6.380
23 HA SER 6 HA SER 6 2.817 12.503 -8.228
24 HB2 SER 6 1HB SER 6 2.615 12.962 -5.262
25 HB3 SER 6 2HB SER 6 4.115 12.381 -5.984
26 HG SER 6 HG SER 6 2.732 14.762 -6.679
27 H GLY 7 H GLY 7 3.061 10.511 -9.008
28 HA2 GLY 7 1HA GLY 7 3.052 8.277 -7.094
29 HA3 GLY 7 2HA GLY 7 2.108 8.148 -8.570
30 H THR 8 H THR 8 5.364 9.445 -7.964
31 HA THR 8 HA THR 8 6.579 8.684 -10.272
32 HB THR 8 HB THR 8 8.722 8.539 -8.998
33 HG1 THR 8 HG1 THR 8 8.710 8.501 -6.840
34 HG21 THR 8 3HG2 THR 8 7.471 10.905 -7.790
35 HG22 THR 8 1HG2 THR 8 7.184 10.730 -9.521
36 HG23 THR 8 2HG2 THR 8 8.834 10.787 -8.902
37 H GLY 9 H GLY 9 6.608 6.717 -7.287
38 HA2 GLY 9 1HA GLY 9 6.757 4.322 -9.001
39 HA3 GLY 9 2HA GLY 9 7.853 4.513 -7.640
40 H GLU 10 H GLU 10 6.946 2.466 -6.916
41 HA GLU 10 HA GLU 10 4.604 2.926 -5.234
42 HB2 GLU 10 1HB GLU 10 3.463 0.950 -5.922
43 HB3 GLU 10 2HB GLU 10 3.851 1.851 -7.381
44 HG2 GLU 10 1HG GLU 10 4.414 -0.274 -8.007
45 HG3 GLU 10 2HG GLU 10 5.964 0.329 -7.424
46 H LYS 11 H LYS 11 4.313 1.131 -3.632
47 HA LYS 11 HA LYS 11 6.874 -0.161 -2.971
48 HB2 LYS 11 1HB LYS 11 5.011 1.069 -0.937
49 HB3 LYS 11 2HB LYS 11 6.603 0.380 -0.644
50 HG2 LYS 11 1HG LYS 11 6.024 2.866 -2.243
51 HG3 LYS 11 2HG LYS 11 6.663 2.811 -0.598
52 HD2 LYS 11 1HD LYS 11 8.704 1.884 -1.310
53 HD3 LYS 11 2HD LYS 11 8.051 1.450 -2.891
54 HE2 LYS 11 1HE LYS 11 9.372 3.335 -3.304
55 HE3 LYS 11 2HE LYS 11 7.725 3.960 -3.243
56 HZ1 LYS 11 3HZ LYS 11 8.980 5.431 -1.963
57 HZ2 LYS 11 1HZ LYS 11 9.850 4.196 -1.201
58 HZ3 LYS 11 2HZ LYS 11 8.222 4.444 -0.817
59 HA PRO 12 HA PRO 12 4.495 -3.845 -2.594
60 HB2 PRO 12 1HB PRO 12 6.149 -5.270 -0.980
61 HB3 PRO 12 2HB PRO 12 6.496 -4.969 -2.687
62 HG2 PRO 12 1HG PRO 12 7.550 -3.563 -0.264
63 HG3 PRO 12 2HG PRO 12 8.417 -4.083 -1.721
64 HD2 PRO 12 1HD PRO 12 7.627 -1.522 -1.332
65 HD3 PRO 12 2HD PRO 12 7.711 -2.261 -2.944
66 H TYR 13 H TYR 13 5.107 -1.737 -0.021
67 HA TYR 13 HA TYR 13 3.075 -3.093 1.608
68 HB2 TYR 13 1HB TYR 13 5.515 -1.763 2.791
69 HB3 TYR 13 2HB TYR 13 4.285 -2.692 3.640
70 HD1 TYR 13 HD2 TYR 13 4.178 -5.156 3.343
71 HD2 TYR 13 HD1 TYR 13 7.339 -2.836 1.692
72 HE1 TYR 13 HE2 TYR 13 5.519 -7.198 3.057
73 HE2 TYR 13 HE1 TYR 13 8.689 -4.871 1.401
74 HH TYR 13 HH TYR 13 8.820 -7.061 1.757
75 H LYS 14 H LYS 14 1.430 -1.703 1.231
76 HA LYS 14 HA LYS 14 1.871 1.113 1.978
77 HB2 LYS 14 1HB LYS 14 1.521 1.100 -0.381
78 HB3 LYS 14 2HB LYS 14 0.176 -0.025 -0.243
79 HG2 LYS 14 1HG LYS 14 -1.283 1.599 0.500
80 HG3 LYS 14 2HG LYS 14 0.014 2.649 1.074
81 HD2 LYS 14 1HD LYS 14 -0.851 3.672 -0.878
82 HD3 LYS 14 2HD LYS 14 0.683 2.935 -1.348
83 HE2 LYS 14 1HE LYS 14 -0.434 1.099 -2.384
84 HE3 LYS 14 2HE LYS 14 -1.990 1.595 -1.719
85 HZ1 LYS 14 3HZ LYS 14 -1.324 2.166 -4.170
86 HZ2 LYS 14 1HZ LYS 14 -0.551 3.481 -3.438
87 HZ3 LYS 14 2HZ LYS 14 -2.216 3.259 -3.238
88 H CYS 15 H CYS 15 0.567 1.914 3.509
89 HA CYS 15 HA CYS 15 -0.993 0.347 5.147
90 HB2 CYS 15 1HB CYS 15 -0.162 2.900 5.260
91 HB3 CYS 15 2HB CYS 15 -1.849 3.174 4.836
92 H ASP 16 H ASP 16 -3.297 0.270 5.498
93 HA ASP 16 HA ASP 16 -4.814 0.474 2.981
94 HB2 ASP 16 1HB ASP 16 -4.386 -1.824 4.141
95 HB3 ASP 16 2HB ASP 16 -5.643 -1.297 5.257
96 H VAL 17 H VAL 17 -4.379 2.065 5.767
97 HA VAL 17 HA VAL 17 -7.225 2.749 6.093
98 HB VAL 17 HB VAL 17 -6.588 2.166 8.219
99 HG11 VAL 17 1HG1 VAL 17 -3.876 3.388 7.716
100 HG12 VAL 17 2HG1 VAL 17 -4.378 2.562 9.192
101 HG13 VAL 17 3HG1 VAL 17 -4.262 1.668 7.676
102 HG21 VAL 17 3HG2 VAL 17 -5.761 5.064 8.078
103 HG22 VAL 17 1HG2 VAL 17 -7.411 4.467 8.253
104 HG23 VAL 17 2HG2 VAL 17 -6.233 4.193 9.537
105 H CYS 18 H CYS 18 -3.991 4.075 5.643
106 HA CYS 18 HA CYS 18 -5.217 6.683 5.019
107 HB2 CYS 18 1HB CYS 18 -3.278 7.792 5.823
108 HB3 CYS 18 2HB CYS 18 -3.683 6.588 7.041
109 H HIS 19 H HIS 19 -3.425 4.046 3.851
110 HA HIS 19 HA HIS 19 -2.704 3.555 1.738
111 HB2 HIS 19 1HB HIS 19 -3.328 6.378 0.893
112 HB3 HIS 19 2HB HIS 19 -3.270 4.928 -0.104
113 HD2 HIS 19 HD2 HIS 19 -5.321 3.379 2.275
114 HE1 HIS 19 HE1 HIS 19 -8.087 6.063 0.502
115 HE2 HIS 19 HE2 HIS 19 -7.802 4.054 1.994
116 H LYS 20 H LYS 20 -0.844 4.102 3.571
117 HA LYS 20 HA LYS 20 1.035 6.003 2.358
118 HB2 LYS 20 1HB LYS 20 0.691 4.866 5.092
119 HB3 LYS 20 2HB LYS 20 2.316 5.306 4.583
120 HG2 LYS 20 1HG LYS 20 0.073 7.254 4.274
121 HG3 LYS 20 2HG LYS 20 0.851 7.029 5.843
122 HD2 LYS 20 1HD LYS 20 2.408 7.597 3.333
123 HD3 LYS 20 2HD LYS 20 1.774 8.880 4.365
124 HE2 LYS 20 1HE LYS 20 3.043 8.019 6.249
125 HE3 LYS 20 2HE LYS 20 3.628 6.677 5.267
126 HZ1 LYS 20 3HZ LYS 20 5.068 8.808 5.602
127 HZ2 LYS 20 1HZ LYS 20 4.116 9.418 4.343
128 HZ3 LYS 20 2HZ LYS 20 5.041 8.022 4.105
129 H SER 21 H SER 21 2.318 5.124 0.875
130 HA SER 21 HA SER 21 2.883 2.350 0.707
131 HB2 SER 21 1HB SER 21 4.378 2.954 -1.124
132 HB3 SER 21 2HB SER 21 2.874 3.865 -1.256
133 HG SER 21 HG SER 21 3.996 5.617 -0.217
134 H PHE 22 H PHE 22 4.873 1.265 0.991
135 HA PHE 22 HA PHE 22 7.026 2.617 2.384
136 HB2 PHE 22 1HB PHE 22 5.441 0.390 3.679
137 HB3 PHE 22 2HB PHE 22 6.999 0.967 4.263
138 HD1 PHE 22 HD1 PHE 22 7.207 3.260 5.162
139 HD2 PHE 22 HD2 PHE 22 3.439 1.579 4.115
140 HE1 PHE 22 HE1 PHE 22 6.069 4.992 6.488
141 HE2 PHE 22 HE2 PHE 22 2.295 3.308 5.440
142 HZ PHE 22 HZ PHE 22 3.610 5.019 6.628
143 H ARG 23 H ARG 23 8.644 2.021 1.086
144 HA ARG 23 HA ARG 23 8.853 -0.145 -0.561
145 HB2 ARG 23 1HB ARG 23 10.435 1.822 -0.383
146 HB3 ARG 23 2HB ARG 23 11.203 0.984 0.959
147 HG2 ARG 23 1HG ARG 23 10.887 -0.485 -1.600
148 HG3 ARG 23 2HG ARG 23 12.106 0.788 -1.511
149 HD2 ARG 23 1HD ARG 23 13.285 -0.303 0.191
150 HD3 ARG 23 2HD ARG 23 11.921 -1.347 0.587
151 HE ARG 23 HE ARG 23 13.013 -1.697 -2.068
152 HH11 ARG 23 1HH1 ARG 23 13.059 -2.715 1.260
153 HH12 ARG 23 2HH1 ARG 23 13.743 -4.268 0.912
154 HH21 ARG 23 1HH2 ARG 23 13.914 -3.738 -2.540
155 HH22 ARG 23 2HH2 ARG 23 14.230 -4.849 -1.250
156 H TYR 24 H TYR 24 9.414 -0.028 2.888
157 HA TYR 24 HA TYR 24 10.083 -2.897 2.849
158 HB2 TYR 24 1HB TYR 24 10.689 -0.899 5.037
159 HB3 TYR 24 2HB TYR 24 11.221 -2.575 4.966
160 HD1 TYR 24 HD2 TYR 24 11.504 0.671 3.164
161 HD2 TYR 24 HD1 TYR 24 13.269 -3.113 3.986
162 HE1 TYR 24 HE2 TYR 24 13.547 1.375 1.990
163 HE2 TYR 24 HE1 TYR 24 15.317 -2.418 2.815
164 HH TYR 24 HH TYR 24 15.878 -0.693 0.952
165 H GLY 25 H GLY 25 9.009 -4.299 4.226
166 HA2 GLY 25 1HA GLY 25 6.318 -3.654 4.833
167 HA3 GLY 25 2HA GLY 25 7.159 -5.120 5.314
168 H SER 26 H SER 26 9.221 -3.894 6.832
169 HA SER 26 HA SER 26 8.010 -3.752 9.342
170 HB2 SER 26 1HB SER 26 10.510 -4.134 8.657
171 HB3 SER 26 2HB SER 26 10.629 -2.382 8.824
172 HG SER 26 HG SER 26 10.969 -2.922 10.845
173 H SER 27 H SER 27 9.082 -1.166 7.171
174 HA SER 27 HA SER 27 8.661 1.021 8.821
175 HB2 SER 27 1HB SER 27 8.222 0.836 5.831
176 HB3 SER 27 2HB SER 27 8.398 2.335 6.744
177 HG SER 27 HG SER 27 10.500 1.745 7.250
178 H LEU 28 H LEU 28 6.367 -0.470 6.541
179 HA LEU 28 HA LEU 28 4.186 1.142 6.889
180 HB2 LEU 28 1HB LEU 28 4.120 -0.616 5.291
181 HB3 LEU 28 2HB LEU 28 4.335 -1.842 6.539
182 HG LEU 28 HG LEU 28 2.086 -1.351 7.394
183 HD11 LEU 28 1HD1 LEU 28 2.371 0.972 5.772
184 HD12 LEU 28 2HD1 LEU 28 1.080 0.559 6.901
185 HD13 LEU 28 3HD1 LEU 28 0.971 0.056 5.214
186 HD21 LEU 28 3HD2 LEU 28 0.933 -1.958 5.052
187 HD22 LEU 28 1HD2 LEU 28 1.852 -3.122 6.007
188 HD23 LEU 28 2HD2 LEU 28 2.616 -2.300 4.647
189 H THR 29 H THR 29 4.609 -1.915 8.681
190 HA THR 29 HA THR 29 2.597 -1.598 10.523
191 HB THR 29 HB THR 29 5.300 -2.874 10.984
192 HG1 THR 29 HG1 THR 29 4.002 -3.754 9.256
193 HG21 THR 29 3HG2 THR 29 3.697 -2.253 12.991
194 HG22 THR 29 1HG2 THR 29 4.531 -3.805 12.936
195 HG23 THR 29 2HG2 THR 29 2.839 -3.696 12.450
196 H VAL 30 H VAL 30 6.011 -0.674 11.000
197 HA VAL 30 HA VAL 30 5.812 0.465 13.501
198 HB VAL 30 HB VAL 30 7.550 1.358 11.198
199 HG11 VAL 30 1HG1 VAL 30 7.832 1.952 14.143
200 HG12 VAL 30 2HG1 VAL 30 8.969 2.413 12.874
201 HG13 VAL 30 3HG1 VAL 30 7.348 3.108 12.902
202 HG21 VAL 30 3HG2 VAL 30 7.585 -0.944 12.915
203 HG22 VAL 30 1HG2 VAL 30 8.633 -0.550 11.553
204 HG23 VAL 30 2HG2 VAL 30 9.036 0.026 13.171
205 H HIS 31 H HIS 31 4.581 1.637 10.504
206 HA HIS 31 HA HIS 31 4.243 4.355 11.472
207 HB2 HIS 31 1HB HIS 31 4.622 4.537 9.231
208 HB3 HIS 31 2HB HIS 31 3.926 2.958 8.877
209 HD1 HIS 31 HD1 HIS 31 3.109 6.564 9.028
210 HD2 HIS 31 HD2 HIS 31 1.098 2.962 8.534
211 HE1 HIS 31 HE1 HIS 31 0.824 7.180 8.178
212 H GLN 32 H GLN 32 2.181 1.623 10.513
213 HA GLN 32 HA GLN 32 -0.303 2.745 10.945
214 HB2 GLN 32 1HB GLN 32 0.431 -0.098 11.648
215 HB3 GLN 32 2HB GLN 32 -1.153 0.508 11.185
216 HG2 GLN 32 1HG GLN 32 -0.128 1.123 8.962
217 HG3 GLN 32 2HG GLN 32 1.281 0.187 9.459
218 HE21 GLN 32 1HE2 GLN 32 -1.969 0.089 8.341
219 HE22 GLN 32 2HE2 GLN 32 -2.083 -1.624 8.147
220 H ARG 33 H ARG 33 2.132 2.150 13.223
221 HA ARG 33 HA ARG 33 0.876 1.461 15.550
222 HB2 ARG 33 1HB ARG 33 3.059 3.505 15.126
223 HB3 ARG 33 2HB ARG 33 2.573 2.912 16.708
224 HG2 ARG 33 1HG ARG 33 3.078 0.581 15.791
225 HG3 ARG 33 2HG ARG 33 3.911 1.421 14.481
226 HD2 ARG 33 1HD ARG 33 5.555 2.236 15.868
227 HD3 ARG 33 2HD ARG 33 4.530 2.163 17.300
228 HE ARG 33 HE ARG 33 4.930 -0.449 16.482
229 HH11 ARG 33 1HH1 ARG 33 6.871 2.223 17.583
230 HH12 ARG 33 2HH1 ARG 33 8.085 1.216 18.299
231 HH21 ARG 33 1HH2 ARG 33 6.522 -1.786 17.421
232 HH22 ARG 33 2HH2 ARG 33 7.886 -1.065 18.205
233 H ILE 34 H ILE 34 0.634 4.461 13.805
234 HA ILE 34 HA ILE 34 -0.595 5.922 15.954
235 HB ILE 34 HB ILE 34 -0.720 7.739 14.523
236 HG12 ILE 34 1HG1 ILE 34 -2.065 6.419 12.802
237 HG13 ILE 34 2HG1 ILE 34 -1.011 7.680 12.172
238 HG21 ILE 34 1HG2 ILE 34 1.380 7.794 13.242
239 HG22 ILE 34 2HG2 ILE 34 1.594 7.105 14.851
240 HG23 ILE 34 3HG2 ILE 34 1.529 6.048 13.441
241 HD11 ILE 34 3HD1 ILE 34 -0.345 4.747 12.249
242 HD12 ILE 34 1HD1 ILE 34 -0.940 5.624 10.840
243 HD13 ILE 34 2HD1 ILE 34 0.631 6.030 11.533
244 H HIS 35 H HIS 35 -1.669 3.929 13.306
245 HA HIS 35 HA HIS 35 -4.406 4.770 13.398
246 HB2 HIS 35 1HB HIS 35 -3.080 2.354 12.155
247 HB3 HIS 35 2HB HIS 35 -4.789 2.740 11.972
248 HD1 HIS 35 HD1 HIS 35 -4.801 5.638 11.282
249 HD2 HIS 35 HD2 HIS 35 -1.923 3.026 9.813
250 HE1 HIS 35 HE1 HIS 35 -3.909 6.724 9.197
251 H THR 36 H THR 36 -2.480 2.705 15.289
252 HA THR 36 HA THR 36 -4.851 1.331 16.363
253 HB THR 36 HB THR 36 -3.053 -0.159 15.547
254 HG1 THR 36 HG1 THR 36 -2.750 -1.142 17.829
255 HG21 THR 36 3HG2 THR 36 -1.113 1.221 15.979
256 HG22 THR 36 1HG2 THR 36 -0.952 -0.298 16.860
257 HG23 THR 36 2HG2 THR 36 -1.423 1.171 17.715
258 H GLY 37 H GLY 37 -5.345 1.437 18.522
259 HA2 GLY 37 1HA GLY 37 -4.193 1.939 20.777
260 HA3 GLY 37 2HA GLY 37 -3.897 3.505 20.035
261 H GLU 38 H GLU 38 -5.139 3.899 22.200
262 HA GLU 38 HA GLU 38 -8.012 3.606 21.950
263 HB2 GLU 38 1HB GLU 38 -6.155 4.593 24.077
264 HB3 GLU 38 2HB GLU 38 -7.851 5.048 24.143
265 HG2 GLU 38 1HG GLU 38 -8.559 2.894 24.523
266 HG3 GLU 38 2HG GLU 38 -7.116 2.180 23.804
267 H LYS 39 H LYS 39 -9.493 5.309 21.820
268 HA LYS 39 HA LYS 39 -8.969 7.337 20.035
269 HB2 LYS 39 1HB LYS 39 -11.098 6.853 22.058
270 HB3 LYS 39 2HB LYS 39 -11.008 8.458 21.344
271 HG2 LYS 39 1HG LYS 39 -12.484 7.402 19.941
272 HG3 LYS 39 2HG LYS 39 -10.956 7.160 19.091
273 HD2 LYS 39 1HD LYS 39 -11.772 5.098 21.064
274 HD3 LYS 39 2HD LYS 39 -12.666 5.171 19.544
275 HE2 LYS 39 1HE LYS 39 -9.662 5.008 19.737
276 HE3 LYS 39 2HE LYS 39 -10.716 3.609 19.528
277 HZ1 LYS 39 3HZ LYS 39 -9.642 4.882 17.494
278 HZ2 LYS 39 1HZ LYS 39 -11.044 5.817 17.648
279 HZ3 LYS 39 2HZ LYS 39 -11.163 4.149 17.391
280 HA PRO 40 HA PRO 40 -6.656 10.367 22.240
281 HB2 PRO 40 1HB PRO 40 -7.241 12.537 20.718
282 HB3 PRO 40 2HB PRO 40 -6.147 11.256 20.184
283 HG2 PRO 40 1HG PRO 40 -9.032 11.686 19.510
284 HG3 PRO 40 2HG PRO 40 -7.692 11.220 18.446
285 HD2 PRO 40 1HD PRO 40 -9.474 9.427 19.416
286 HD3 PRO 40 2HD PRO 40 -7.778 9.011 19.098
287 H SER 41 H SER 41 -10.033 10.325 22.061
288 HA SER 41 HA SER 41 -10.205 12.235 24.270
289 HB2 SER 41 1HB SER 41 -12.116 13.381 23.302
290 HB3 SER 41 2HB SER 41 -10.760 13.470 22.179
291 HG SER 41 HG SER 41 -11.786 12.198 20.812
292 H GLY 42 H GLY 42 -12.016 11.934 25.641
293 HA2 GLY 42 1HA GLY 42 -13.938 10.815 26.410
294 HA3 GLY 42 2HA GLY 42 -13.752 9.648 25.110
295 HA PRO 43 HA PRO 43 -11.827 8.277 29.307
296 HB2 PRO 43 1HB PRO 43 -13.953 7.080 30.496
297 HB3 PRO 43 2HB PRO 43 -13.529 8.774 30.767
298 HG2 PRO 43 1HG PRO 43 -15.604 7.609 28.951
299 HG3 PRO 43 2HG PRO 43 -15.718 9.019 30.020
300 HD2 PRO 43 1HD PRO 43 -15.299 9.241 27.354
301 HD3 PRO 43 2HD PRO 43 -14.631 10.397 28.525
302 H SER 44 H SER 44 -11.633 5.991 30.019
303 HA SER 44 HA SER 44 -11.053 4.239 28.045
304 HB2 SER 44 1HB SER 44 -12.123 3.601 30.801
305 HB3 SER 44 2HB SER 44 -11.409 2.399 29.725
306 HG SER 44 HG SER 44 -9.895 4.673 30.097
307 H SER 45 H SER 45 -12.083 2.268 27.271
308 HA SER 45 HA SER 45 -15.020 2.428 27.203
309 HB2 SER 45 1HB SER 45 -13.708 3.272 25.092
310 HB3 SER 45 2HB SER 45 -13.502 1.550 24.771
311 HG SER 45 HG SER 45 -15.455 1.576 24.030
312 H GLY 46 H GLY 46 -15.967 0.590 27.786
313 HA2 GLY 46 1HA GLY 46 -16.138 -1.588 28.537
314 HA3 GLY 46 2HA GLY 46 -15.535 -1.948 26.926
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -4.214 22.186 -9.995
2 HA2 GLY 1 1HA GLY 1 -6.304 22.285 -12.079
3 HA3 GLY 1 2HA GLY 1 -4.782 23.160 -12.157
4 H SER 2 H SER 2 -5.628 21.578 -14.252
5 HA SER 2 HA SER 2 -4.364 18.989 -14.078
6 HB2 SER 2 1HB SER 2 -5.539 20.453 -16.455
7 HB3 SER 2 2HB SER 2 -5.012 18.770 -16.453
8 HG SER 2 HG SER 2 -7.296 19.914 -15.410
9 H SER 3 H SER 3 -2.194 19.308 -13.715
10 HA SER 3 HA SER 3 -0.714 20.655 -15.879
11 HB2 SER 3 1HB SER 3 0.156 20.376 -12.992
12 HB3 SER 3 2HB SER 3 1.008 21.247 -14.267
13 HG SER 3 HG SER 3 -0.148 22.893 -13.691
14 H GLY 4 H GLY 4 -0.500 18.753 -17.092
15 HA2 GLY 4 1HA GLY 4 0.378 16.710 -17.694
16 HA3 GLY 4 2HA GLY 4 1.791 17.282 -16.820
17 H SER 5 H SER 5 2.122 14.984 -16.380
18 HA SER 5 HA SER 5 0.476 14.071 -14.112
19 HB2 SER 5 1HB SER 5 1.884 12.370 -16.185
20 HB3 SER 5 2HB SER 5 0.988 11.755 -14.796
21 HG SER 5 HG SER 5 -0.691 13.328 -15.929
22 H SER 6 H SER 6 1.500 13.573 -12.263
23 HA SER 6 HA SER 6 4.409 13.220 -12.293
24 HB2 SER 6 1HB SER 6 3.603 15.644 -11.729
25 HB3 SER 6 2HB SER 6 3.174 14.943 -10.169
26 HG SER 6 HG SER 6 5.735 14.568 -11.293
27 H GLY 7 H GLY 7 5.254 12.091 -10.481
28 HA2 GLY 7 1HA GLY 7 4.936 10.997 -8.353
29 HA3 GLY 7 2HA GLY 7 3.235 10.815 -8.754
30 H THR 8 H THR 8 6.306 9.374 -8.813
31 HA THR 8 HA THR 8 5.176 7.017 -10.138
32 HB THR 8 HB THR 8 7.951 8.031 -10.770
33 HG1 THR 8 HG1 THR 8 5.493 8.638 -11.867
34 HG21 THR 8 3HG2 THR 8 7.194 6.330 -12.767
35 HG22 THR 8 1HG2 THR 8 6.443 5.584 -11.356
36 HG23 THR 8 2HG2 THR 8 8.182 5.877 -11.379
37 H GLY 9 H GLY 9 5.603 5.172 -9.086
38 HA2 GLY 9 1HA GLY 9 7.951 4.429 -7.830
39 HA3 GLY 9 2HA GLY 9 6.992 5.236 -6.599
40 H GLU 10 H GLU 10 7.708 2.606 -6.292
41 HA GLU 10 HA GLU 10 5.085 1.320 -6.354
42 HB2 GLU 10 1HB GLU 10 7.619 0.075 -7.427
43 HB3 GLU 10 2HB GLU 10 6.157 -0.833 -7.070
44 HG2 GLU 10 1HG GLU 10 4.978 0.124 -8.817
45 HG3 GLU 10 2HG GLU 10 6.067 1.506 -8.925
46 H LYS 11 H LYS 11 4.620 0.707 -4.359
47 HA LYS 11 HA LYS 11 6.806 -0.238 -2.624
48 HB2 LYS 11 1HB LYS 11 4.567 1.669 -2.029
49 HB3 LYS 11 2HB LYS 11 5.261 0.694 -0.740
50 HG2 LYS 11 1HG LYS 11 6.469 2.650 -0.593
51 HG3 LYS 11 2HG LYS 11 7.523 1.632 -1.577
52 HD2 LYS 11 1HD LYS 11 6.316 2.710 -3.586
53 HD3 LYS 11 2HD LYS 11 5.788 3.928 -2.423
54 HE2 LYS 11 1HE LYS 11 8.676 3.162 -2.749
55 HE3 LYS 11 2HE LYS 11 7.920 4.413 -3.733
56 HZ1 LYS 11 3HZ LYS 11 7.994 5.857 -2.058
57 HZ2 LYS 11 1HZ LYS 11 9.067 4.789 -1.303
58 HZ3 LYS 11 2HZ LYS 11 7.419 4.737 -0.928
59 HA PRO 12 HA PRO 12 4.197 -3.858 -2.566
60 HB2 PRO 12 1HB PRO 12 5.833 -5.337 -0.983
61 HB3 PRO 12 2HB PRO 12 6.141 -5.075 -2.704
62 HG2 PRO 12 1HG PRO 12 7.332 -3.688 -0.334
63 HG3 PRO 12 2HG PRO 12 8.129 -4.266 -1.809
64 HD2 PRO 12 1HD PRO 12 7.470 -1.667 -1.432
65 HD3 PRO 12 2HD PRO 12 7.470 -2.430 -3.035
66 H TYR 13 H TYR 13 4.944 -1.726 -0.066
67 HA TYR 13 HA TYR 13 2.952 -3.010 1.672
68 HB2 TYR 13 1HB TYR 13 5.416 -1.621 2.730
69 HB3 TYR 13 2HB TYR 13 4.228 -2.544 3.643
70 HD1 TYR 13 HD2 TYR 13 4.112 -5.031 3.332
71 HD2 TYR 13 HD1 TYR 13 7.259 -2.685 1.691
72 HE1 TYR 13 HE2 TYR 13 5.475 -7.060 3.062
73 HE2 TYR 13 HE1 TYR 13 8.631 -4.708 1.414
74 HH TYR 13 HH TYR 13 8.823 -6.926 2.220
75 H LYS 14 H LYS 14 1.273 -1.660 1.443
76 HA LYS 14 HA LYS 14 1.734 1.187 2.030
77 HB2 LYS 14 1HB LYS 14 1.319 1.130 -0.311
78 HB3 LYS 14 2HB LYS 14 0.003 -0.021 -0.123
79 HG2 LYS 14 1HG LYS 14 -1.449 1.604 0.727
80 HG3 LYS 14 2HG LYS 14 -0.132 2.730 1.063
81 HD2 LYS 14 1HD LYS 14 -1.026 3.635 -0.859
82 HD3 LYS 14 2HD LYS 14 0.244 2.604 -1.521
83 HE2 LYS 14 1HE LYS 14 -2.528 1.541 -1.151
84 HE3 LYS 14 2HE LYS 14 -2.138 2.534 -2.555
85 HZ1 LYS 14 3HZ LYS 14 -1.616 0.525 -3.406
86 HZ2 LYS 14 1HZ LYS 14 -1.289 -0.173 -1.901
87 HZ3 LYS 14 2HZ LYS 14 -0.135 0.815 -2.643
88 H CYS 15 H CYS 15 0.518 1.980 3.624
89 HA CYS 15 HA CYS 15 -1.003 0.472 5.329
90 HB2 CYS 15 1HB CYS 15 -0.187 3.024 5.358
91 HB3 CYS 15 2HB CYS 15 -1.879 3.288 4.949
92 H ASP 16 H ASP 16 -3.243 0.215 5.696
93 HA ASP 16 HA ASP 16 -4.857 0.407 3.242
94 HB2 ASP 16 1HB ASP 16 -4.750 -1.582 5.466
95 HB3 ASP 16 2HB ASP 16 -6.288 -1.323 4.648
96 H VAL 17 H VAL 17 -4.375 2.357 5.575
97 HA VAL 17 HA VAL 17 -7.226 2.914 6.064
98 HB VAL 17 HB VAL 17 -6.617 2.304 8.198
99 HG11 VAL 17 1HG1 VAL 17 -4.450 2.643 9.211
100 HG12 VAL 17 2HG1 VAL 17 -4.250 1.881 7.632
101 HG13 VAL 17 3HG1 VAL 17 -3.920 3.603 7.830
102 HG21 VAL 17 3HG2 VAL 17 -5.837 5.216 8.071
103 HG22 VAL 17 1HG2 VAL 17 -7.475 4.585 8.240
104 HG23 VAL 17 2HG2 VAL 17 -6.297 4.336 9.529
105 H CYS 18 H CYS 18 -3.968 4.198 5.674
106 HA CYS 18 HA CYS 18 -5.150 6.816 5.010
107 HB2 CYS 18 1HB CYS 18 -3.205 7.909 5.856
108 HB3 CYS 18 2HB CYS 18 -3.711 6.754 7.085
109 H HIS 19 H HIS 19 -3.666 4.135 3.763
110 HA HIS 19 HA HIS 19 -2.760 3.637 1.736
111 HB2 HIS 19 1HB HIS 19 -4.033 6.287 1.245
112 HB3 HIS 19 2HB HIS 19 -2.911 5.680 0.031
113 HD2 HIS 19 HD2 HIS 19 -5.193 3.064 1.760
114 HE1 HIS 19 HE1 HIS 19 -6.696 3.751 -2.148
115 HE2 HIS 19 HE2 HIS 19 -6.918 2.384 -0.044
116 H LYS 20 H LYS 20 -0.957 4.263 3.644
117 HA LYS 20 HA LYS 20 0.955 6.128 2.440
118 HB2 LYS 20 1HB LYS 20 0.528 5.031 5.170
119 HB3 LYS 20 2HB LYS 20 2.183 5.401 4.705
120 HG2 LYS 20 1HG LYS 20 0.023 7.428 4.313
121 HG3 LYS 20 2HG LYS 20 0.761 7.198 5.900
122 HD2 LYS 20 1HD LYS 20 2.380 7.677 3.409
123 HD3 LYS 20 2HD LYS 20 1.784 8.991 4.425
124 HE2 LYS 20 1HE LYS 20 2.992 8.091 6.332
125 HE3 LYS 20 2HE LYS 20 3.538 6.723 5.363
126 HZ1 LYS 20 3HZ LYS 20 5.303 7.956 4.878
127 HZ2 LYS 20 1HZ LYS 20 4.620 9.354 5.543
128 HZ3 LYS 20 2HZ LYS 20 4.293 8.934 3.937
129 H SER 21 H SER 21 2.166 5.186 0.919
130 HA SER 21 HA SER 21 2.767 2.433 0.804
131 HB2 SER 21 1HB SER 21 4.574 3.272 -0.860
132 HB3 SER 21 2HB SER 21 2.877 3.539 -1.259
133 HG SER 21 HG SER 21 4.793 5.345 -1.004
134 H PHE 22 H PHE 22 4.855 1.410 0.981
135 HA PHE 22 HA PHE 22 6.927 2.762 2.481
136 HB2 PHE 22 1HB PHE 22 5.382 0.447 3.660
137 HB3 PHE 22 2HB PHE 22 6.928 1.016 4.281
138 HD1 PHE 22 HD1 PHE 22 7.102 3.211 5.355
139 HD2 PHE 22 HD2 PHE 22 3.360 1.643 4.068
140 HE1 PHE 22 HE1 PHE 22 5.932 4.865 6.752
141 HE2 PHE 22 HE2 PHE 22 2.184 3.295 5.463
142 HZ PHE 22 HZ PHE 22 3.470 4.909 6.806
143 H ARG 23 H ARG 23 8.548 2.284 1.127
144 HA ARG 23 HA ARG 23 8.877 0.228 -0.601
145 HB2 ARG 23 1HB ARG 23 10.468 2.021 -0.550
146 HB3 ARG 23 2HB ARG 23 10.979 1.595 1.078
147 HG2 ARG 23 1HG ARG 23 12.692 0.731 -0.168
148 HG3 ARG 23 2HG ARG 23 11.633 -0.674 -0.032
149 HD2 ARG 23 1HD ARG 23 10.794 -0.365 -2.226
150 HD3 ARG 23 2HD ARG 23 11.515 1.240 -2.350
151 HE ARG 23 HE ARG 23 13.619 -0.482 -1.957
152 HH11 ARG 23 1HH1 ARG 23 11.067 -0.124 -4.298
153 HH12 ARG 23 2HH1 ARG 23 11.994 -0.787 -5.603
154 HH21 ARG 23 1HH2 ARG 23 14.850 -1.356 -3.667
155 HH22 ARG 23 2HH2 ARG 23 14.145 -1.488 -5.243
156 H TYR 24 H TYR 24 9.361 0.125 2.866
157 HA TYR 24 HA TYR 24 9.979 -2.749 2.650
158 HB2 TYR 24 1HB TYR 24 10.869 -0.690 4.661
159 HB3 TYR 24 2HB TYR 24 10.950 -2.414 5.001
160 HD1 TYR 24 HD2 TYR 24 11.735 -0.410 1.944
161 HD2 TYR 24 HD1 TYR 24 13.155 -3.096 4.923
162 HE1 TYR 24 HE2 TYR 24 13.906 -0.529 0.794
163 HE2 TYR 24 HE1 TYR 24 15.330 -3.221 3.782
164 HH TYR 24 HH TYR 24 16.005 -2.752 1.052
165 H GLY 25 H GLY 25 9.037 -4.163 4.201
166 HA2 GLY 25 1HA GLY 25 6.324 -3.530 4.809
167 HA3 GLY 25 2HA GLY 25 7.174 -5.000 5.264
168 H SER 26 H SER 26 9.269 -3.755 6.741
169 HA SER 26 HA SER 26 8.131 -3.658 9.281
170 HB2 SER 26 1HB SER 26 10.784 -2.741 8.196
171 HB3 SER 26 2HB SER 26 10.367 -2.502 9.893
172 HG SER 26 HG SER 26 10.421 -4.623 10.229
173 H SER 27 H SER 27 9.224 -0.980 7.211
174 HA SER 27 HA SER 27 8.683 1.141 8.896
175 HB2 SER 27 1HB SER 27 8.287 1.083 5.894
176 HB3 SER 27 2HB SER 27 8.514 2.525 6.884
177 HG SER 27 HG SER 27 10.583 1.590 7.481
178 H LEU 28 H LEU 28 6.485 -0.449 6.603
179 HA LEU 28 HA LEU 28 4.256 1.142 6.882
180 HB2 LEU 28 1HB LEU 28 4.239 -0.579 5.262
181 HB3 LEU 28 2HB LEU 28 4.522 -1.824 6.476
182 HG LEU 28 HG LEU 28 2.258 -1.494 7.343
183 HD11 LEU 28 1HD1 LEU 28 2.377 0.847 5.613
184 HD12 LEU 28 2HD1 LEU 28 1.347 0.514 7.005
185 HD13 LEU 28 3HD1 LEU 28 0.901 -0.097 5.412
186 HD21 LEU 28 3HD2 LEU 28 2.818 -3.059 5.415
187 HD22 LEU 28 1HD2 LEU 28 2.088 -1.845 4.364
188 HD23 LEU 28 2HD2 LEU 28 1.121 -2.618 5.620
189 H THR 29 H THR 29 4.691 -1.933 8.640
190 HA THR 29 HA THR 29 2.634 -1.656 10.444
191 HB THR 29 HB THR 29 5.325 -2.942 10.941
192 HG1 THR 29 HG1 THR 29 4.104 -3.794 9.158
193 HG21 THR 29 3HG2 THR 29 3.642 -2.373 12.908
194 HG22 THR 29 1HG2 THR 29 4.513 -3.905 12.853
195 HG23 THR 29 2HG2 THR 29 2.836 -3.824 12.312
196 H VAL 30 H VAL 30 6.041 -0.762 11.019
197 HA VAL 30 HA VAL 30 5.797 0.327 13.535
198 HB VAL 30 HB VAL 30 7.571 1.303 11.292
199 HG11 VAL 30 1HG1 VAL 30 7.406 2.981 13.033
200 HG12 VAL 30 2HG1 VAL 30 7.755 1.769 14.267
201 HG13 VAL 30 3HG1 VAL 30 8.991 2.209 13.087
202 HG21 VAL 30 3HG2 VAL 30 7.591 -1.068 12.943
203 HG22 VAL 30 1HG2 VAL 30 8.588 -0.661 11.547
204 HG23 VAL 30 2HG2 VAL 30 9.064 -0.124 13.158
205 H HIS 31 H HIS 31 4.606 1.562 10.550
206 HA HIS 31 HA HIS 31 4.241 4.255 11.589
207 HB2 HIS 31 1HB HIS 31 4.715 4.489 9.364
208 HB3 HIS 31 2HB HIS 31 3.988 2.943 8.936
209 HD1 HIS 31 HD1 HIS 31 3.284 6.559 9.133
210 HD2 HIS 31 HD2 HIS 31 1.149 3.038 8.578
211 HE1 HIS 31 HE1 HIS 31 1.034 7.267 8.261
212 H GLN 32 H GLN 32 2.235 1.536 10.490
213 HA GLN 32 HA GLN 32 -0.273 2.619 10.845
214 HB2 GLN 32 1HB GLN 32 0.519 -0.220 11.509
215 HB3 GLN 32 2HB GLN 32 -1.094 0.348 11.098
216 HG2 GLN 32 1HG GLN 32 -0.129 1.055 8.870
217 HG3 GLN 32 2HG GLN 32 1.308 0.134 9.312
218 HE21 GLN 32 1HE2 GLN 32 -1.940 0.004 8.219
219 HE22 GLN 32 2HE2 GLN 32 -2.032 -1.707 7.996
220 H ARG 33 H ARG 33 2.079 2.012 13.212
221 HA ARG 33 HA ARG 33 0.740 1.298 15.483
222 HB2 ARG 33 1HB ARG 33 2.945 3.324 15.119
223 HB3 ARG 33 2HB ARG 33 2.372 2.815 16.701
224 HG2 ARG 33 1HG ARG 33 2.859 0.419 15.784
225 HG3 ARG 33 2HG ARG 33 3.905 1.286 14.658
226 HD2 ARG 33 1HD ARG 33 5.304 0.738 16.452
227 HD3 ARG 33 2HD ARG 33 4.882 2.428 16.723
228 HE ARG 33 HE ARG 33 3.680 1.811 18.595
229 HH11 ARG 33 1HH1 ARG 33 4.677 -1.012 16.817
230 HH12 ARG 33 2HH1 ARG 33 4.253 -2.118 18.081
231 HH21 ARG 33 1HH2 ARG 33 3.118 0.364 20.267
232 HH22 ARG 33 2HH2 ARG 33 3.366 -1.335 20.043
233 H ILE 34 H ILE 34 0.733 4.434 13.891
234 HA ILE 34 HA ILE 34 -0.633 5.831 15.954
235 HB ILE 34 HB ILE 34 -0.724 7.649 14.529
236 HG12 ILE 34 1HG1 ILE 34 -2.083 6.405 12.799
237 HG13 ILE 34 2HG1 ILE 34 -0.949 7.586 12.152
238 HG21 ILE 34 1HG2 ILE 34 1.602 6.737 14.862
239 HG22 ILE 34 2HG2 ILE 34 1.489 6.080 13.230
240 HG23 ILE 34 3HG2 ILE 34 1.397 7.822 13.487
241 HD11 ILE 34 3HD1 ILE 34 0.539 5.899 11.439
242 HD12 ILE 34 1HD1 ILE 34 -0.318 4.658 12.353
243 HD13 ILE 34 2HD1 ILE 34 -1.074 5.392 10.939
244 H HIS 35 H HIS 35 -1.655 3.812 13.311
245 HA HIS 35 HA HIS 35 -4.404 4.652 13.382
246 HB2 HIS 35 1HB HIS 35 -3.060 2.277 12.079
247 HB3 HIS 35 2HB HIS 35 -4.763 2.682 11.882
248 HD1 HIS 35 HD1 HIS 35 -4.673 5.642 11.337
249 HD2 HIS 35 HD2 HIS 35 -1.931 2.971 9.723
250 HE1 HIS 35 HE1 HIS 35 -3.758 6.775 9.287
251 H THR 36 H THR 36 -2.454 2.446 15.134
252 HA THR 36 HA THR 36 -4.854 1.160 16.262
253 HB THR 36 HB THR 36 -3.284 -0.420 15.196
254 HG1 THR 36 HG1 THR 36 -2.867 -1.568 17.401
255 HG21 THR 36 3HG2 THR 36 -1.318 1.177 16.328
256 HG22 THR 36 1HG2 THR 36 -1.072 -0.369 15.517
257 HG23 THR 36 2HG2 THR 36 -1.256 -0.313 17.270
258 H GLY 37 H GLY 37 -5.235 1.271 18.419
259 HA2 GLY 37 1HA GLY 37 -3.144 2.351 20.169
260 HA3 GLY 37 2HA GLY 37 -4.668 3.221 20.066
261 H GLU 38 H GLU 38 -4.507 2.729 22.456
262 HA GLU 38 HA GLU 38 -5.981 0.247 22.972
263 HB2 GLU 38 1HB GLU 38 -3.418 0.241 23.577
264 HB3 GLU 38 2HB GLU 38 -3.958 1.163 24.973
265 HG2 GLU 38 1HG GLU 38 -4.924 -1.576 24.187
266 HG3 GLU 38 2HG GLU 38 -3.786 -1.207 25.481
267 H LYS 39 H LYS 39 -7.639 0.443 24.382
268 HA LYS 39 HA LYS 39 -7.993 3.074 25.664
269 HB2 LYS 39 1HB LYS 39 -9.984 1.186 24.425
270 HB3 LYS 39 2HB LYS 39 -10.482 2.421 25.574
271 HG2 LYS 39 1HG LYS 39 -9.619 4.159 24.120
272 HG3 LYS 39 2HG LYS 39 -9.038 2.941 22.982
273 HD2 LYS 39 1HD LYS 39 -11.460 2.149 22.852
274 HD3 LYS 39 2HD LYS 39 -11.877 3.658 23.669
275 HE2 LYS 39 1HE LYS 39 -10.832 4.930 21.871
276 HE3 LYS 39 2HE LYS 39 -10.368 3.432 21.065
277 HZ1 LYS 39 3HZ LYS 39 -12.941 4.758 21.162
278 HZ2 LYS 39 1HZ LYS 39 -12.999 3.078 21.352
279 HZ3 LYS 39 2HZ LYS 39 -12.285 3.749 19.973
280 HA PRO 40 HA PRO 40 -8.226 1.172 29.612
281 HB2 PRO 40 1HB PRO 40 -10.092 2.706 30.852
282 HB3 PRO 40 2HB PRO 40 -8.459 3.281 30.493
283 HG2 PRO 40 1HG PRO 40 -11.009 3.765 29.001
284 HG3 PRO 40 2HG PRO 40 -9.712 4.906 29.398
285 HD2 PRO 40 1HD PRO 40 -9.953 3.769 26.953
286 HD3 PRO 40 2HD PRO 40 -8.379 4.193 27.658
287 H SER 41 H SER 41 -10.609 0.812 27.382
288 HA SER 41 HA SER 41 -12.910 0.021 28.622
289 HB2 SER 41 1HB SER 41 -13.324 -1.441 26.725
290 HB3 SER 41 2HB SER 41 -12.543 0.036 26.160
291 HG SER 41 HG SER 41 -10.603 -1.086 26.016
292 H GLY 42 H GLY 42 -13.674 -2.381 28.729
293 HA2 GLY 42 1HA GLY 42 -11.762 -3.761 30.493
294 HA3 GLY 42 2HA GLY 42 -13.509 -3.953 30.538
295 HA PRO 43 HA PRO 43 -11.727 -7.593 28.298
296 HB2 PRO 43 1HB PRO 43 -13.249 -9.428 29.596
297 HB3 PRO 43 2HB PRO 43 -11.702 -8.846 30.223
298 HG2 PRO 43 1HG PRO 43 -14.480 -8.009 30.960
299 HG3 PRO 43 2HG PRO 43 -13.089 -8.322 32.015
300 HD2 PRO 43 1HD PRO 43 -13.857 -5.820 31.318
301 HD3 PRO 43 2HD PRO 43 -12.160 -6.251 31.613
302 H SER 44 H SER 44 -13.026 -9.380 27.179
303 HA SER 44 HA SER 44 -15.538 -8.228 26.155
304 HB2 SER 44 1HB SER 44 -15.036 -9.426 24.034
305 HB3 SER 44 2HB SER 44 -13.810 -8.227 24.443
306 HG SER 44 HG SER 44 -12.962 -10.384 25.569
307 H SER 45 H SER 45 -13.865 -11.186 27.084
308 HA SER 45 HA SER 45 -15.906 -13.015 26.506
309 HB2 SER 45 1HB SER 45 -14.765 -14.509 28.107
310 HB3 SER 45 2HB SER 45 -13.618 -13.722 27.023
311 HG SER 45 HG SER 45 -12.865 -13.612 29.144
312 H GLY 46 H GLY 46 -17.161 -14.258 28.165
313 HA2 GLY 46 1HA GLY 46 -18.723 -12.399 29.721
314 HA3 GLY 46 2HA GLY 46 -19.029 -14.119 29.531
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -5.594 3.106 -22.311
2 HA2 GLY 1 1HA GLY 1 -5.714 2.014 -20.192
3 HA3 GLY 1 2HA GLY 1 -5.957 0.737 -21.374
4 H SER 2 H SER 2 -3.945 -0.372 -22.138
5 HA SER 2 HA SER 2 -2.636 -1.676 -20.155
6 HB2 SER 2 1HB SER 2 -0.875 -2.228 -21.802
7 HB3 SER 2 2HB SER 2 -2.489 -2.357 -22.499
8 HG SER 2 HG SER 2 -2.100 -0.683 -23.757
9 H SER 3 H SER 3 -1.827 -0.594 -18.436
10 HA SER 3 HA SER 3 -0.633 1.809 -18.208
11 HB2 SER 3 1HB SER 3 -0.059 -0.781 -16.798
12 HB3 SER 3 2HB SER 3 0.860 0.671 -16.401
13 HG SER 3 HG SER 3 -1.275 1.682 -16.108
14 H GLY 4 H GLY 4 1.168 2.807 -18.871
15 HA2 GLY 4 1HA GLY 4 2.959 1.410 -20.651
16 HA3 GLY 4 2HA GLY 4 3.006 3.121 -20.251
17 H SER 5 H SER 5 5.387 2.385 -20.348
18 HA SER 5 HA SER 5 6.327 1.050 -17.956
19 HB2 SER 5 1HB SER 5 7.479 0.605 -20.056
20 HB3 SER 5 2HB SER 5 7.831 2.321 -20.256
21 HG SER 5 HG SER 5 8.961 2.089 -18.157
22 H SER 6 H SER 6 6.092 2.254 -16.158
23 HA SER 6 HA SER 6 6.977 5.054 -16.220
24 HB2 SER 6 1HB SER 6 4.652 4.231 -15.303
25 HB3 SER 6 2HB SER 6 5.587 3.836 -13.861
26 HG SER 6 HG SER 6 5.417 6.377 -15.118
27 H GLY 7 H GLY 7 8.556 5.819 -14.853
28 HA2 GLY 7 1HA GLY 7 10.601 4.044 -14.090
29 HA3 GLY 7 2HA GLY 7 10.484 5.731 -13.611
30 H THR 8 H THR 8 8.218 5.784 -12.102
31 HA THR 8 HA THR 8 9.000 4.110 -9.816
32 HB THR 8 HB THR 8 7.326 6.629 -9.806
33 HG1 THR 8 HG1 THR 8 9.157 7.701 -9.384
34 HG21 THR 8 3HG2 THR 8 6.726 5.618 -7.839
35 HG22 THR 8 1HG2 THR 8 8.190 6.445 -7.310
36 HG23 THR 8 2HG2 THR 8 8.242 4.727 -7.706
37 H GLY 9 H GLY 9 7.643 2.637 -8.980
38 HA2 GLY 9 1HA GLY 9 4.982 2.411 -10.219
39 HA3 GLY 9 2HA GLY 9 5.873 1.092 -9.472
40 H GLU 10 H GLU 10 5.748 0.771 -7.270
41 HA GLU 10 HA GLU 10 4.620 2.629 -5.457
42 HB2 GLU 10 1HB GLU 10 2.643 1.697 -6.935
43 HB3 GLU 10 2HB GLU 10 2.778 0.311 -5.862
44 HG2 GLU 10 1HG GLU 10 2.066 1.480 -4.029
45 HG3 GLU 10 2HG GLU 10 2.607 3.030 -4.670
46 H LYS 11 H LYS 11 5.300 2.111 -3.478
47 HA LYS 11 HA LYS 11 7.011 0.045 -2.914
48 HB2 LYS 11 1HB LYS 11 5.121 1.248 -0.889
49 HB3 LYS 11 2HB LYS 11 6.703 0.544 -0.583
50 HG2 LYS 11 1HG LYS 11 6.157 3.071 -2.127
51 HG3 LYS 11 2HG LYS 11 6.794 2.966 -0.484
52 HD2 LYS 11 1HD LYS 11 8.832 2.059 -1.216
53 HD3 LYS 11 2HD LYS 11 8.176 1.644 -2.801
54 HE2 LYS 11 1HE LYS 11 9.640 3.576 -2.962
55 HE3 LYS 11 2HE LYS 11 7.978 4.028 -3.333
56 HZ1 LYS 11 3HZ LYS 11 8.537 5.694 -1.913
57 HZ2 LYS 11 1HZ LYS 11 9.633 4.753 -1.033
58 HZ3 LYS 11 2HZ LYS 11 7.970 4.575 -0.778
59 HA PRO 12 HA PRO 12 4.571 -3.614 -2.684
60 HB2 PRO 12 1HB PRO 12 6.212 -5.120 -1.132
61 HB3 PRO 12 2HB PRO 12 6.555 -4.764 -2.829
62 HG2 PRO 12 1HG PRO 12 7.641 -3.460 -0.363
63 HG3 PRO 12 2HG PRO 12 8.493 -3.941 -1.842
64 HD2 PRO 12 1HD PRO 12 7.743 -1.384 -1.357
65 HD3 PRO 12 2HD PRO 12 7.808 -2.066 -2.995
66 H TYR 13 H TYR 13 5.203 -1.596 -0.055
67 HA TYR 13 HA TYR 13 3.175 -2.993 1.545
68 HB2 TYR 13 1HB TYR 13 5.633 -1.711 2.746
69 HB3 TYR 13 2HB TYR 13 4.398 -2.643 3.585
70 HD1 TYR 13 HD2 TYR 13 4.266 -5.096 3.256
71 HD2 TYR 13 HD1 TYR 13 7.428 -2.786 1.592
72 HE1 TYR 13 HE2 TYR 13 5.580 -7.148 2.917
73 HE2 TYR 13 HE1 TYR 13 8.750 -4.831 1.248
74 HH TYR 13 HH TYR 13 7.965 -7.787 2.672
75 H LYS 14 H LYS 14 1.531 -1.591 1.229
76 HA LYS 14 HA LYS 14 1.985 1.201 2.054
77 HB2 LYS 14 1HB LYS 14 1.628 1.263 -0.303
78 HB3 LYS 14 2HB LYS 14 0.280 0.138 -0.196
79 HG2 LYS 14 1HG LYS 14 -1.119 1.770 0.801
80 HG3 LYS 14 2HG LYS 14 0.237 2.871 1.054
81 HD2 LYS 14 1HD LYS 14 -0.720 3.783 -0.827
82 HD3 LYS 14 2HD LYS 14 0.465 2.695 -1.553
83 HE2 LYS 14 1HE LYS 14 -1.536 2.335 -2.741
84 HE3 LYS 14 2HE LYS 14 -1.389 0.967 -1.639
85 HZ1 LYS 14 3HZ LYS 14 -2.839 3.205 -0.546
86 HZ2 LYS 14 1HZ LYS 14 -3.228 1.558 -0.546
87 HZ3 LYS 14 2HZ LYS 14 -3.581 2.511 -1.899
88 H CYS 15 H CYS 15 0.631 2.011 3.553
89 HA CYS 15 HA CYS 15 -0.887 0.413 5.200
90 HB2 CYS 15 1HB CYS 15 -0.129 2.985 5.302
91 HB3 CYS 15 2HB CYS 15 -1.817 3.214 4.860
92 H ASP 16 H ASP 16 -3.212 0.350 5.569
93 HA ASP 16 HA ASP 16 -4.715 0.437 3.036
94 HB2 ASP 16 1HB ASP 16 -5.177 -1.354 5.432
95 HB3 ASP 16 2HB ASP 16 -6.108 -1.370 3.936
96 H VAL 17 H VAL 17 -4.308 2.185 5.699
97 HA VAL 17 HA VAL 17 -7.169 2.844 5.974
98 HB VAL 17 HB VAL 17 -6.620 2.293 8.129
99 HG11 VAL 17 1HG1 VAL 17 -4.283 1.748 7.659
100 HG12 VAL 17 2HG1 VAL 17 -3.869 3.463 7.721
101 HG13 VAL 17 3HG1 VAL 17 -4.443 2.639 9.172
102 HG21 VAL 17 3HG2 VAL 17 -7.392 4.618 8.094
103 HG22 VAL 17 1HG2 VAL 17 -6.278 4.327 9.430
104 HG23 VAL 17 2HG2 VAL 17 -5.721 5.171 7.984
105 H CYS 18 H CYS 18 -3.911 4.146 5.630
106 HA CYS 18 HA CYS 18 -5.098 6.746 4.906
107 HB2 CYS 18 1HB CYS 18 -3.201 7.870 5.792
108 HB3 CYS 18 2HB CYS 18 -3.683 6.695 7.012
109 H HIS 19 H HIS 19 -3.576 4.059 3.722
110 HA HIS 19 HA HIS 19 -2.610 3.539 1.729
111 HB2 HIS 19 1HB HIS 19 -3.695 6.274 1.062
112 HB3 HIS 19 2HB HIS 19 -2.853 5.279 -0.123
113 HD2 HIS 19 HD2 HIS 19 -5.224 3.314 2.187
114 HE1 HIS 19 HE1 HIS 19 -7.223 3.887 -1.511
115 HE2 HIS 19 HE2 HIS 19 -7.300 2.767 0.744
116 H LYS 20 H LYS 20 -0.806 4.124 3.571
117 HA LYS 20 HA LYS 20 1.058 6.073 2.416
118 HB2 LYS 20 1HB LYS 20 0.645 4.929 5.126
119 HB3 LYS 20 2HB LYS 20 2.299 5.320 4.671
120 HG2 LYS 20 1HG LYS 20 0.135 7.340 4.286
121 HG3 LYS 20 2HG LYS 20 0.835 7.083 5.886
122 HD2 LYS 20 1HD LYS 20 2.524 7.601 3.452
123 HD3 LYS 20 2HD LYS 20 1.882 8.906 4.452
124 HE2 LYS 20 1HE LYS 20 3.076 8.128 6.363
125 HE3 LYS 20 2HE LYS 20 3.535 6.637 5.542
126 HZ1 LYS 20 3HZ LYS 20 5.229 8.552 5.717
127 HZ2 LYS 20 1HZ LYS 20 4.360 9.238 4.438
128 HZ3 LYS 20 2HZ LYS 20 5.084 7.721 4.250
129 H SER 21 H SER 21 2.331 5.209 0.906
130 HA SER 21 HA SER 21 2.968 2.467 0.711
131 HB2 SER 21 1HB SER 21 4.464 3.112 -1.081
132 HB3 SER 21 2HB SER 21 2.994 4.079 -1.199
133 HG SER 21 HG SER 21 4.980 5.192 0.349
134 H PHE 22 H PHE 22 4.982 1.409 0.998
135 HA PHE 22 HA PHE 22 7.064 2.749 2.505
136 HB2 PHE 22 1HB PHE 22 5.476 0.454 3.668
137 HB3 PHE 22 2HB PHE 22 7.015 1.015 4.314
138 HD1 PHE 22 HD1 PHE 22 7.186 3.258 5.326
139 HD2 PHE 22 HD2 PHE 22 3.456 1.623 4.090
140 HE1 PHE 22 HE1 PHE 22 6.005 4.927 6.694
141 HE2 PHE 22 HE2 PHE 22 2.269 3.289 5.456
142 HZ PHE 22 HZ PHE 22 3.543 4.945 6.760
143 H ARG 23 H ARG 23 8.755 2.226 1.278
144 HA ARG 23 HA ARG 23 9.060 0.147 -0.465
145 HB2 ARG 23 1HB ARG 23 10.663 1.910 -0.469
146 HB3 ARG 23 2HB ARG 23 11.130 1.579 1.194
147 HG2 ARG 23 1HG ARG 23 12.338 -0.319 0.610
148 HG3 ARG 23 2HG ARG 23 11.523 -0.472 -0.948
149 HD2 ARG 23 1HD ARG 23 13.362 1.799 -0.210
150 HD3 ARG 23 2HD ARG 23 13.874 0.357 -1.087
151 HE ARG 23 HE ARG 23 11.851 1.229 -2.605
152 HH11 ARG 23 1HH1 ARG 23 14.580 2.886 -1.218
153 HH12 ARG 23 2HH1 ARG 23 14.679 4.059 -2.489
154 HH21 ARG 23 1HH2 ARG 23 11.971 2.768 -4.284
155 HH22 ARG 23 2HH2 ARG 23 13.194 3.992 -4.232
156 H TYR 24 H TYR 24 9.453 0.097 3.006
157 HA TYR 24 HA TYR 24 10.106 -2.773 2.852
158 HB2 TYR 24 1HB TYR 24 10.766 -0.872 5.109
159 HB3 TYR 24 2HB TYR 24 11.244 -2.562 4.988
160 HD1 TYR 24 HD2 TYR 24 11.586 0.680 3.170
161 HD2 TYR 24 HD1 TYR 24 13.326 -3.087 4.111
162 HE1 TYR 24 HE2 TYR 24 13.653 1.354 2.021
163 HE2 TYR 24 HE1 TYR 24 15.398 -2.423 2.966
164 HH TYR 24 HH TYR 24 16.563 -0.512 2.229
165 H GLY 25 H GLY 25 8.966 -4.205 4.121
166 HA2 GLY 25 1HA GLY 25 6.303 -3.528 4.764
167 HA3 GLY 25 2HA GLY 25 7.115 -5.024 5.204
168 H SER 26 H SER 26 9.169 -3.970 6.799
169 HA SER 26 HA SER 26 7.962 -3.864 9.293
170 HB2 SER 26 1HB SER 26 10.680 -3.022 8.316
171 HB3 SER 26 2HB SER 26 10.219 -2.809 10.005
172 HG SER 26 HG SER 26 9.792 -5.303 8.814
173 H SER 27 H SER 27 9.162 -1.187 7.291
174 HA SER 27 HA SER 27 8.687 0.921 9.016
175 HB2 SER 27 1HB SER 27 8.362 0.882 6.005
176 HB3 SER 27 2HB SER 27 8.513 2.335 6.994
177 HG SER 27 HG SER 27 10.471 1.164 5.922
178 H LEU 28 H LEU 28 6.459 -0.461 6.608
179 HA LEU 28 HA LEU 28 4.285 1.171 6.935
180 HB2 LEU 28 1HB LEU 28 4.225 -0.506 5.269
181 HB3 LEU 28 2HB LEU 28 4.441 -1.792 6.456
182 HG LEU 28 HG LEU 28 2.177 -1.365 7.310
183 HD11 LEU 28 1HD1 LEU 28 2.454 1.039 5.823
184 HD12 LEU 28 2HD1 LEU 28 1.137 0.543 6.885
185 HD13 LEU 28 3HD1 LEU 28 1.088 0.136 5.170
186 HD21 LEU 28 3HD2 LEU 28 1.025 -1.918 4.990
187 HD22 LEU 28 1HD2 LEU 28 2.055 -3.083 5.821
188 HD23 LEU 28 2HD2 LEU 28 2.704 -2.126 4.489
189 H THR 29 H THR 29 4.640 -1.945 8.639
190 HA THR 29 HA THR 29 2.560 -1.686 10.415
191 HB THR 29 HB THR 29 5.242 -2.986 10.924
192 HG1 THR 29 HG1 THR 29 3.587 -3.645 9.151
193 HG21 THR 29 3HG2 THR 29 4.355 -4.057 12.783
194 HG22 THR 29 1HG2 THR 29 2.690 -3.744 12.296
195 HG23 THR 29 2HG2 THR 29 3.684 -2.433 12.931
196 H VAL 30 H VAL 30 5.957 -0.802 11.059
197 HA VAL 30 HA VAL 30 5.656 0.264 13.583
198 HB VAL 30 HB VAL 30 7.503 1.224 11.394
199 HG11 VAL 30 1HG1 VAL 30 7.696 1.659 14.372
200 HG12 VAL 30 2HG1 VAL 30 8.855 2.197 13.156
201 HG13 VAL 30 3HG1 VAL 30 7.231 2.883 13.192
202 HG21 VAL 30 3HG2 VAL 30 7.481 -1.107 13.147
203 HG22 VAL 30 1HG2 VAL 30 8.407 -0.802 11.678
204 HG23 VAL 30 2HG2 VAL 30 8.984 -0.188 13.227
205 H HIS 31 H HIS 31 4.571 1.535 10.571
206 HA HIS 31 HA HIS 31 4.220 4.229 11.599
207 HB2 HIS 31 1HB HIS 31 4.693 4.466 9.380
208 HB3 HIS 31 2HB HIS 31 3.995 2.906 8.955
209 HD1 HIS 31 HD1 HIS 31 3.244 6.511 9.089
210 HD2 HIS 31 HD2 HIS 31 1.152 2.957 8.579
211 HE1 HIS 31 HE1 HIS 31 0.994 7.178 8.184
212 H GLN 32 H GLN 32 2.166 1.556 10.468
213 HA GLN 32 HA GLN 32 -0.321 2.682 10.818
214 HB2 GLN 32 1HB GLN 32 0.389 -0.175 11.497
215 HB3 GLN 32 2HB GLN 32 -1.192 0.436 11.030
216 HG2 GLN 32 1HG GLN 32 -0.141 1.103 8.832
217 HG3 GLN 32 2HG GLN 32 1.262 0.155 9.325
218 HE21 GLN 32 1HE2 GLN 32 -1.955 0.086 8.135
219 HE22 GLN 32 2HE2 GLN 32 -2.074 -1.624 7.915
220 H ARG 33 H ARG 33 2.003 2.001 13.200
221 HA ARG 33 HA ARG 33 0.612 1.319 15.455
222 HB2 ARG 33 1HB ARG 33 2.847 3.343 15.229
223 HB3 ARG 33 2HB ARG 33 2.308 2.605 16.731
224 HG2 ARG 33 1HG ARG 33 2.883 0.379 15.741
225 HG3 ARG 33 2HG ARG 33 3.615 1.247 14.390
226 HD2 ARG 33 1HD ARG 33 5.204 2.295 15.840
227 HD3 ARG 33 2HD ARG 33 4.388 1.667 17.271
228 HE ARG 33 HE ARG 33 6.337 0.328 15.719
229 HH11 ARG 33 1HH1 ARG 33 3.382 -0.218 17.476
230 HH12 ARG 33 2HH1 ARG 33 3.746 -1.874 17.831
231 HH21 ARG 33 1HH2 ARG 33 6.828 -1.852 16.181
232 HH22 ARG 33 2HH2 ARG 33 5.707 -2.802 17.095
233 H ILE 34 H ILE 34 0.736 4.451 13.867
234 HA ILE 34 HA ILE 34 -0.557 5.916 15.925
235 HB ILE 34 HB ILE 34 -0.600 7.722 14.479
236 HG12 ILE 34 1HG1 ILE 34 -2.017 6.511 12.775
237 HG13 ILE 34 2HG1 ILE 34 -0.843 7.637 12.103
238 HG21 ILE 34 1HG2 ILE 34 1.540 6.096 13.137
239 HG22 ILE 34 2HG2 ILE 34 1.521 7.827 13.471
240 HG23 ILE 34 3HG2 ILE 34 1.696 6.675 14.795
241 HD11 ILE 34 3HD1 ILE 34 -1.063 5.437 10.919
242 HD12 ILE 34 1HD1 ILE 34 0.573 5.882 11.405
243 HD13 ILE 34 2HD1 ILE 34 -0.332 4.689 12.338
244 H HIS 35 H HIS 35 -1.689 3.907 13.322
245 HA HIS 35 HA HIS 35 -4.397 4.856 13.390
246 HB2 HIS 35 1HB HIS 35 -3.149 2.395 12.156
247 HB3 HIS 35 2HB HIS 35 -4.845 2.833 11.972
248 HD1 HIS 35 HD1 HIS 35 -4.745 5.742 11.289
249 HD2 HIS 35 HD2 HIS 35 -1.995 3.010 9.795
250 HE1 HIS 35 HE1 HIS 35 -3.827 6.789 9.196
251 H THR 36 H THR 36 -2.536 2.625 15.206
252 HA THR 36 HA THR 36 -4.969 1.418 16.340
253 HB THR 36 HB THR 36 -3.315 -0.185 15.438
254 HG1 THR 36 HG1 THR 36 -3.649 -1.527 17.098
255 HG21 THR 36 3HG2 THR 36 -1.506 0.749 17.664
256 HG22 THR 36 1HG2 THR 36 -1.311 1.225 15.978
257 HG23 THR 36 2HG2 THR 36 -1.159 -0.470 16.438
258 H GLY 37 H GLY 37 -4.278 4.036 17.090
259 HA2 GLY 37 1HA GLY 37 -2.776 4.049 19.524
260 HA3 GLY 37 2HA GLY 37 -3.785 5.353 18.917
261 H GLU 38 H GLU 38 -6.185 4.981 19.135
262 HA GLU 38 HA GLU 38 -6.877 3.317 21.441
263 HB2 GLU 38 1HB GLU 38 -8.111 5.172 22.490
264 HB3 GLU 38 2HB GLU 38 -6.387 5.502 22.390
265 HG2 GLU 38 1HG GLU 38 -6.867 6.827 20.312
266 HG3 GLU 38 2HG GLU 38 -8.580 6.648 20.686
267 H LYS 39 H LYS 39 -9.011 2.637 21.502
268 HA LYS 39 HA LYS 39 -10.599 3.272 19.102
269 HB2 LYS 39 1HB LYS 39 -9.690 0.914 19.307
270 HB3 LYS 39 2HB LYS 39 -10.747 0.714 20.698
271 HG2 LYS 39 1HG LYS 39 -12.692 0.959 19.367
272 HG3 LYS 39 2HG LYS 39 -11.751 1.501 17.976
273 HD2 LYS 39 1HD LYS 39 -10.630 -0.751 17.989
274 HD3 LYS 39 2HD LYS 39 -11.813 -1.253 19.200
275 HE2 LYS 39 1HE LYS 39 -13.594 -1.078 17.702
276 HE3 LYS 39 2HE LYS 39 -12.681 -0.059 16.590
277 HZ1 LYS 39 3HZ LYS 39 -11.590 -1.843 15.705
278 HZ2 LYS 39 1HZ LYS 39 -13.070 -2.572 16.080
279 HZ3 LYS 39 2HZ LYS 39 -11.738 -2.790 17.099
280 HA PRO 40 HA PRO 40 -13.576 4.920 21.938
281 HB2 PRO 40 1HB PRO 40 -15.596 5.230 20.151
282 HB3 PRO 40 2HB PRO 40 -14.200 6.312 20.220
283 HG2 PRO 40 1HG PRO 40 -14.727 4.014 18.375
284 HG3 PRO 40 2HG PRO 40 -14.066 5.617 18.004
285 HD2 PRO 40 1HD PRO 40 -12.501 3.425 18.276
286 HD3 PRO 40 2HD PRO 40 -11.952 5.052 18.726
287 H SER 41 H SER 41 -14.192 3.342 23.347
288 HA SER 41 HA SER 41 -15.683 1.032 22.466
289 HB2 SER 41 1HB SER 41 -14.879 1.996 25.218
290 HB3 SER 41 2HB SER 41 -15.746 0.490 24.917
291 HG SER 41 HG SER 41 -13.096 1.166 24.373
292 H GLY 42 H GLY 42 -17.042 3.333 21.767
293 HA2 GLY 42 1HA GLY 42 -19.215 3.544 23.743
294 HA3 GLY 42 2HA GLY 42 -18.890 4.703 22.462
295 HA PRO 43 HA PRO 43 -22.285 1.645 21.257
296 HB2 PRO 43 1HB PRO 43 -24.324 3.435 21.163
297 HB3 PRO 43 2HB PRO 43 -23.901 2.536 22.625
298 HG2 PRO 43 1HG PRO 43 -23.193 5.341 21.855
299 HG3 PRO 43 2HG PRO 43 -23.731 4.713 23.424
300 HD2 PRO 43 1HD PRO 43 -21.130 5.230 22.875
301 HD3 PRO 43 2HD PRO 43 -21.634 3.925 23.968
302 H SER 44 H SER 44 -20.636 4.276 20.090
303 HA SER 44 HA SER 44 -21.542 3.745 17.376
304 HB2 SER 44 1HB SER 44 -21.952 6.321 18.811
305 HB3 SER 44 2HB SER 44 -21.440 6.406 17.126
306 HG SER 44 HG SER 44 -23.469 6.091 16.703
307 H SER 45 H SER 45 -20.122 4.856 15.756
308 HA SER 45 HA SER 45 -18.068 5.312 14.886
309 HB2 SER 45 1HB SER 45 -18.082 7.160 16.573
310 HB3 SER 45 2HB SER 45 -17.271 6.077 17.704
311 HG SER 45 HG SER 45 -15.855 5.945 15.534
312 H GLY 46 H GLY 46 -18.661 2.681 15.589
313 HA2 GLY 46 1HA GLY 46 -15.951 1.682 16.147
314 HA3 GLY 46 2HA GLY 46 -17.313 1.015 17.035
Start of MODEL 13
1 H1 GLY 1 H GLY 1 6.295 26.862 -7.812
2 HA2 GLY 1 1HA GLY 1 8.668 26.078 -8.249
3 HA3 GLY 1 2HA GLY 1 8.619 25.519 -6.583
4 H SER 2 H SER 2 7.573 23.630 -6.077
5 HA SER 2 HA SER 2 7.158 21.807 -8.257
6 HB2 SER 2 1HB SER 2 6.764 20.135 -6.512
7 HB3 SER 2 2HB SER 2 8.206 21.080 -6.143
8 HG SER 2 HG SER 2 7.275 21.518 -4.322
9 H SER 3 H SER 3 5.305 21.259 -9.208
10 HA SER 3 HA SER 3 2.778 22.010 -7.894
11 HB2 SER 3 1HB SER 3 3.425 22.274 -10.840
12 HB3 SER 3 2HB SER 3 1.860 22.611 -10.101
13 HG SER 3 HG SER 3 2.661 24.550 -9.911
14 H GLY 4 H GLY 4 4.013 20.137 -10.675
15 HA2 GLY 4 1HA GLY 4 1.878 18.194 -10.335
16 HA3 GLY 4 2HA GLY 4 3.076 18.215 -11.621
17 H SER 5 H SER 5 5.428 17.946 -10.603
18 HA SER 5 HA SER 5 6.812 16.214 -9.975
19 HB2 SER 5 1HB SER 5 5.345 16.779 -7.387
20 HB3 SER 5 2HB SER 5 6.907 15.973 -7.524
21 HG SER 5 HG SER 5 7.533 17.996 -7.242
22 H SER 6 H SER 6 4.576 15.161 -11.242
23 HA SER 6 HA SER 6 3.744 12.888 -9.591
24 HB2 SER 6 1HB SER 6 2.738 13.850 -12.280
25 HB3 SER 6 2HB SER 6 2.102 12.458 -11.404
26 HG SER 6 HG SER 6 1.447 13.844 -9.756
27 H GLY 7 H GLY 7 5.312 11.373 -9.621
28 HA2 GLY 7 1HA GLY 7 5.652 9.670 -11.780
29 HA3 GLY 7 2HA GLY 7 6.964 10.836 -11.873
30 H THR 8 H THR 8 5.482 8.356 -9.858
31 HA THR 8 HA THR 8 8.107 7.647 -8.836
32 HB THR 8 HB THR 8 7.240 9.318 -7.208
33 HG1 THR 8 HG1 THR 8 7.171 6.848 -5.874
34 HG21 THR 8 3HG2 THR 8 5.143 7.252 -6.556
35 HG22 THR 8 1HG2 THR 8 4.826 8.689 -7.527
36 HG23 THR 8 2HG2 THR 8 5.333 8.855 -5.846
37 H GLY 9 H GLY 9 8.292 5.504 -8.313
38 HA2 GLY 9 1HA GLY 9 6.411 3.700 -9.371
39 HA3 GLY 9 2HA GLY 9 7.760 3.272 -8.329
40 H GLU 10 H GLU 10 6.236 1.655 -7.502
41 HA GLU 10 HA GLU 10 4.547 2.816 -5.389
42 HB2 GLU 10 1HB GLU 10 3.103 1.966 -7.169
43 HB3 GLU 10 2HB GLU 10 3.905 0.403 -7.093
44 HG2 GLU 10 1HG GLU 10 3.037 -0.017 -4.911
45 HG3 GLU 10 2HG GLU 10 2.404 1.624 -4.792
46 H LYS 11 H LYS 11 4.676 1.880 -3.404
47 HA LYS 11 HA LYS 11 6.870 0.035 -2.980
48 HB2 LYS 11 1HB LYS 11 5.025 1.147 -0.872
49 HB3 LYS 11 2HB LYS 11 6.665 0.544 -0.668
50 HG2 LYS 11 1HG LYS 11 5.980 2.997 -2.268
51 HG3 LYS 11 2HG LYS 11 6.429 3.026 -0.561
52 HD2 LYS 11 1HD LYS 11 8.492 3.356 -1.460
53 HD3 LYS 11 2HD LYS 11 8.473 1.591 -1.492
54 HE2 LYS 11 1HE LYS 11 9.093 1.983 -3.647
55 HE3 LYS 11 2HE LYS 11 7.343 2.023 -3.852
56 HZ1 LYS 11 3HZ LYS 11 7.495 4.479 -3.550
57 HZ2 LYS 11 1HZ LYS 11 8.241 3.901 -4.955
58 HZ3 LYS 11 2HZ LYS 11 9.180 4.339 -3.619
59 HA PRO 12 HA PRO 12 4.443 -3.627 -2.731
60 HB2 PRO 12 1HB PRO 12 6.061 -5.121 -1.144
61 HB3 PRO 12 2HB PRO 12 6.431 -4.775 -2.837
62 HG2 PRO 12 1HG PRO 12 7.476 -3.455 -0.363
63 HG3 PRO 12 2HG PRO 12 8.352 -3.943 -1.825
64 HD2 PRO 12 1HD PRO 12 7.591 -1.385 -1.368
65 HD3 PRO 12 2HD PRO 12 7.683 -2.077 -3.001
66 H TYR 13 H TYR 13 5.118 -1.644 -0.054
67 HA TYR 13 HA TYR 13 3.044 -3.023 1.510
68 HB2 TYR 13 1HB TYR 13 5.482 -1.712 2.721
69 HB3 TYR 13 2HB TYR 13 4.242 -2.637 3.561
70 HD1 TYR 13 HD2 TYR 13 4.109 -5.097 3.238
71 HD2 TYR 13 HD1 TYR 13 7.301 -2.793 1.625
72 HE1 TYR 13 HE2 TYR 13 5.432 -7.149 2.939
73 HE2 TYR 13 HE1 TYR 13 8.632 -4.839 1.320
74 HH TYR 13 HH TYR 13 7.477 -7.787 1.231
75 H LYS 14 H LYS 14 1.384 -1.645 1.194
76 HA LYS 14 HA LYS 14 1.820 1.175 1.932
77 HB2 LYS 14 1HB LYS 14 1.358 1.133 -0.409
78 HB3 LYS 14 2HB LYS 14 0.030 0.001 -0.194
79 HG2 LYS 14 1HG LYS 14 -1.412 1.619 0.554
80 HG3 LYS 14 2HG LYS 14 -0.113 2.661 1.138
81 HD2 LYS 14 1HD LYS 14 -0.836 3.793 -0.746
82 HD3 LYS 14 2HD LYS 14 0.513 2.847 -1.379
83 HE2 LYS 14 1HE LYS 14 -2.305 1.818 -1.457
84 HE3 LYS 14 2HE LYS 14 -1.678 2.879 -2.717
85 HZ1 LYS 14 3HZ LYS 14 -1.369 0.656 -3.432
86 HZ2 LYS 14 1HZ LYS 14 -0.673 0.193 -1.961
87 HZ3 LYS 14 2HZ LYS 14 0.160 1.237 -2.999
88 H CYS 15 H CYS 15 0.576 1.976 3.513
89 HA CYS 15 HA CYS 15 -0.858 0.431 5.263
90 HB2 CYS 15 1HB CYS 15 -0.128 3.006 5.260
91 HB3 CYS 15 2HB CYS 15 -1.832 3.213 4.867
92 H ASP 16 H ASP 16 -3.121 0.219 5.712
93 HA ASP 16 HA ASP 16 -4.764 0.267 3.268
94 HB2 ASP 16 1HB ASP 16 -4.181 -1.953 4.516
95 HB3 ASP 16 2HB ASP 16 -5.418 -1.428 5.655
96 H VAL 17 H VAL 17 -4.286 2.293 5.544
97 HA VAL 17 HA VAL 17 -7.141 2.825 6.034
98 HB VAL 17 HB VAL 17 -6.517 2.255 8.178
99 HG11 VAL 17 1HG1 VAL 17 -4.361 2.633 9.181
100 HG12 VAL 17 2HG1 VAL 17 -4.134 1.884 7.599
101 HG13 VAL 17 3HG1 VAL 17 -3.851 3.613 7.807
102 HG21 VAL 17 3HG2 VAL 17 -5.770 5.175 8.030
103 HG22 VAL 17 1HG2 VAL 17 -7.411 4.539 8.146
104 HG23 VAL 17 2HG2 VAL 17 -6.277 4.302 9.476
105 H CYS 18 H CYS 18 -3.894 4.140 5.636
106 HA CYS 18 HA CYS 18 -5.105 6.728 4.908
107 HB2 CYS 18 1HB CYS 18 -3.184 7.865 5.749
108 HB3 CYS 18 2HB CYS 18 -3.683 6.727 6.996
109 H HIS 19 H HIS 19 -3.583 4.042 3.726
110 HA HIS 19 HA HIS 19 -2.645 3.514 1.721
111 HB2 HIS 19 1HB HIS 19 -3.605 6.289 0.998
112 HB3 HIS 19 2HB HIS 19 -2.950 5.135 -0.160
113 HD2 HIS 19 HD2 HIS 19 -5.363 3.631 2.447
114 HE1 HIS 19 HE1 HIS 19 -7.505 4.084 -1.187
115 HE2 HIS 19 HE2 HIS 19 -7.565 3.186 1.166
116 H LYS 20 H LYS 20 -0.817 4.076 3.537
117 HA LYS 20 HA LYS 20 1.050 6.011 2.360
118 HB2 LYS 20 1HB LYS 20 0.659 4.882 5.084
119 HB3 LYS 20 2HB LYS 20 2.303 5.288 4.610
120 HG2 LYS 20 1HG LYS 20 0.117 7.285 4.233
121 HG3 LYS 20 2HG LYS 20 0.830 7.042 5.830
122 HD2 LYS 20 1HD LYS 20 2.474 7.590 3.368
123 HD3 LYS 20 2HD LYS 20 1.860 8.871 4.417
124 HE2 LYS 20 1HE LYS 20 2.990 7.581 6.323
125 HE3 LYS 20 2HE LYS 20 3.845 6.709 5.051
126 HZ1 LYS 20 3HZ LYS 20 4.842 8.697 4.298
127 HZ2 LYS 20 1HZ LYS 20 5.027 8.689 5.980
128 HZ3 LYS 20 2HZ LYS 20 3.846 9.665 5.264
129 H SER 21 H SER 21 2.358 5.154 0.886
130 HA SER 21 HA SER 21 2.956 2.396 0.690
131 HB2 SER 21 1HB SER 21 4.206 2.946 -1.202
132 HB3 SER 21 2HB SER 21 3.043 4.269 -1.125
133 HG SER 21 HG SER 21 5.219 4.976 -1.452
134 H PHE 22 H PHE 22 4.937 1.309 1.014
135 HA PHE 22 HA PHE 22 7.040 2.635 2.506
136 HB2 PHE 22 1HB PHE 22 5.431 0.366 3.692
137 HB3 PHE 22 2HB PHE 22 6.962 0.942 4.342
138 HD1 PHE 22 HD1 PHE 22 7.118 3.183 5.343
139 HD2 PHE 22 HD2 PHE 22 3.403 1.557 4.049
140 HE1 PHE 22 HE1 PHE 22 5.920 4.872 6.672
141 HE2 PHE 22 HE2 PHE 22 2.199 3.243 5.375
142 HZ PHE 22 HZ PHE 22 3.457 4.904 6.688
143 H ARG 23 H ARG 23 8.670 2.089 1.189
144 HA ARG 23 HA ARG 23 8.940 -0.054 -0.475
145 HB2 ARG 23 1HB ARG 23 10.512 1.794 -0.495
146 HB3 ARG 23 2HB ARG 23 11.114 1.340 1.094
147 HG2 ARG 23 1HG ARG 23 12.025 -0.715 0.200
148 HG3 ARG 23 2HG ARG 23 11.349 -0.347 -1.388
149 HD2 ARG 23 1HD ARG 23 13.317 1.436 0.032
150 HD3 ARG 23 2HD ARG 23 13.797 0.169 -1.097
151 HE ARG 23 HE ARG 23 11.884 1.850 -2.306
152 HH11 ARG 23 1HH1 ARG 23 15.211 1.821 -1.283
153 HH12 ARG 23 2HH1 ARG 23 15.721 2.979 -2.467
154 HH21 ARG 23 1HH2 ARG 23 12.543 3.375 -3.868
155 HH22 ARG 23 2HH2 ARG 23 14.202 3.863 -3.936
156 H TYR 24 H TYR 24 9.374 0.013 2.982
157 HA TYR 24 HA TYR 24 10.065 -2.852 2.916
158 HB2 TYR 24 1HB TYR 24 10.894 -0.692 4.850
159 HB3 TYR 24 2HB TYR 24 11.036 -2.403 5.234
160 HD1 TYR 24 HD2 TYR 24 11.865 -0.192 2.328
161 HD2 TYR 24 HD1 TYR 24 13.149 -3.269 4.972
162 HE1 TYR 24 HE2 TYR 24 14.040 -0.264 1.180
163 HE2 TYR 24 HE1 TYR 24 15.327 -3.348 3.833
164 HH TYR 24 HH TYR 24 16.670 -1.330 2.291
165 H GLY 25 H GLY 25 8.904 -4.252 4.171
166 HA2 GLY 25 1HA GLY 25 6.272 -3.547 4.883
167 HA3 GLY 25 2HA GLY 25 7.083 -5.043 5.321
168 H SER 26 H SER 26 9.202 -3.899 6.826
169 HA SER 26 HA SER 26 8.062 -3.795 9.362
170 HB2 SER 26 1HB SER 26 10.446 -4.309 8.922
171 HB3 SER 26 2HB SER 26 10.718 -2.616 8.509
172 HG SER 26 HG SER 26 11.252 -3.157 10.706
173 H SER 27 H SER 27 9.220 -1.123 7.322
174 HA SER 27 HA SER 27 8.722 0.985 9.047
175 HB2 SER 27 1HB SER 27 8.469 0.921 6.030
176 HB3 SER 27 2HB SER 27 8.541 2.391 7.003
177 HG SER 27 HG SER 27 10.552 0.755 6.186
178 H LEU 28 H LEU 28 6.531 -0.477 6.660
179 HA LEU 28 HA LEU 28 4.342 1.164 6.934
180 HB2 LEU 28 1HB LEU 28 4.314 -0.518 5.274
181 HB3 LEU 28 2HB LEU 28 4.531 -1.798 6.466
182 HG LEU 28 HG LEU 28 2.251 -1.372 7.303
183 HD11 LEU 28 1HD1 LEU 28 1.011 0.376 6.693
184 HD12 LEU 28 2HD1 LEU 28 1.387 0.156 4.984
185 HD13 LEU 28 3HD1 LEU 28 2.496 1.051 6.022
186 HD21 LEU 28 3HD2 LEU 28 1.064 -2.298 5.363
187 HD22 LEU 28 1HD2 LEU 28 2.613 -3.098 5.633
188 HD23 LEU 28 2HD2 LEU 28 2.448 -1.910 4.340
189 H THR 29 H THR 29 4.734 -1.930 8.671
190 HA THR 29 HA THR 29 2.619 -1.679 10.418
191 HB THR 29 HB THR 29 5.300 -2.965 10.970
192 HG1 THR 29 HG1 THR 29 2.941 -3.784 9.670
193 HG21 THR 29 3HG2 THR 29 2.768 -3.839 12.274
194 HG22 THR 29 1HG2 THR 29 3.594 -2.417 12.910
195 HG23 THR 29 2HG2 THR 29 4.431 -3.968 12.843
196 H VAL 30 H VAL 30 6.007 -0.770 11.077
197 HA VAL 30 HA VAL 30 5.668 0.304 13.601
198 HB VAL 30 HB VAL 30 7.558 1.264 11.447
199 HG11 VAL 30 1HG1 VAL 30 7.550 1.712 14.428
200 HG12 VAL 30 2HG1 VAL 30 8.926 2.053 13.376
201 HG13 VAL 30 3HG1 VAL 30 7.411 2.931 13.162
202 HG21 VAL 30 3HG2 VAL 30 8.500 -0.741 11.706
203 HG22 VAL 30 1HG2 VAL 30 8.957 -0.219 13.327
204 HG23 VAL 30 2HG2 VAL 30 7.466 -1.129 13.081
205 H HIS 31 H HIS 31 4.563 1.515 10.593
206 HA HIS 31 HA HIS 31 4.236 4.235 11.582
207 HB2 HIS 31 1HB HIS 31 4.766 4.438 9.368
208 HB3 HIS 31 2HB HIS 31 4.033 2.894 8.940
209 HD1 HIS 31 HD1 HIS 31 3.383 6.516 9.027
210 HD2 HIS 31 HD2 HIS 31 1.189 3.021 8.550
211 HE1 HIS 31 HE1 HIS 31 1.162 7.239 8.096
212 H GLN 32 H GLN 32 2.228 1.509 10.523
213 HA GLN 32 HA GLN 32 -0.277 2.652 10.785
214 HB2 GLN 32 1HB GLN 32 0.451 -0.194 11.493
215 HB3 GLN 32 2HB GLN 32 -1.142 0.397 11.041
216 HG2 GLN 32 1HG GLN 32 -0.097 1.076 8.831
217 HG3 GLN 32 2HG GLN 32 1.292 0.105 9.315
218 HE21 GLN 32 1HE2 GLN 32 -2.010 0.075 8.286
219 HE22 GLN 32 2HE2 GLN 32 -2.129 -1.626 8.011
220 H ARG 33 H ARG 33 2.014 2.081 13.204
221 HA ARG 33 HA ARG 33 0.594 1.401 15.452
222 HB2 ARG 33 1HB ARG 33 2.821 3.433 15.218
223 HB3 ARG 33 2HB ARG 33 2.261 2.731 16.730
224 HG2 ARG 33 1HG ARG 33 2.790 0.469 15.523
225 HG3 ARG 33 2HG ARG 33 3.831 1.490 14.528
226 HD2 ARG 33 1HD ARG 33 3.935 1.595 17.524
227 HD3 ARG 33 2HD ARG 33 4.842 0.385 16.617
228 HE ARG 33 HE ARG 33 5.267 3.086 15.719
229 HH11 ARG 33 1HH1 ARG 33 6.275 0.604 17.941
230 HH12 ARG 33 2HH1 ARG 33 7.864 1.261 18.158
231 HH21 ARG 33 1HH2 ARG 33 7.355 3.961 15.996
232 HH22 ARG 33 2HH2 ARG 33 8.476 3.171 17.052
233 H ILE 34 H ILE 34 0.741 4.519 13.831
234 HA ILE 34 HA ILE 34 -0.617 5.990 15.845
235 HB ILE 34 HB ILE 34 -0.601 7.791 14.402
236 HG12 ILE 34 1HG1 ILE 34 -2.008 6.628 12.674
237 HG13 ILE 34 2HG1 ILE 34 -0.781 7.701 12.010
238 HG21 ILE 34 1HG2 ILE 34 1.543 6.152 13.086
239 HG22 ILE 34 2HG2 ILE 34 1.536 7.881 13.431
240 HG23 ILE 34 3HG2 ILE 34 1.680 6.719 14.750
241 HD11 ILE 34 3HD1 ILE 34 0.562 5.905 11.322
242 HD12 ILE 34 1HD1 ILE 34 -0.341 4.750 12.302
243 HD13 ILE 34 2HD1 ILE 34 -1.086 5.466 10.873
244 H HIS 35 H HIS 35 -1.660 3.886 13.308
245 HA HIS 35 HA HIS 35 -4.380 4.851 13.277
246 HB2 HIS 35 1HB HIS 35 -3.085 2.415 12.041
247 HB3 HIS 35 2HB HIS 35 -4.777 2.851 11.818
248 HD1 HIS 35 HD1 HIS 35 -4.642 5.784 11.198
249 HD2 HIS 35 HD2 HIS 35 -1.897 3.049 9.699
250 HE1 HIS 35 HE1 HIS 35 -3.678 6.858 9.138
251 H THR 36 H THR 36 -2.543 2.719 15.184
252 HA THR 36 HA THR 36 -4.996 1.490 16.263
253 HB THR 36 HB THR 36 -3.409 -0.143 15.279
254 HG1 THR 36 HG1 THR 36 -4.698 -0.874 16.968
255 HG21 THR 36 3HG2 THR 36 -1.396 1.320 16.088
256 HG22 THR 36 1HG2 THR 36 -1.237 -0.434 16.014
257 HG23 THR 36 2HG2 THR 36 -1.542 0.359 17.560
258 H GLY 37 H GLY 37 -5.499 1.849 18.342
259 HA2 GLY 37 1HA GLY 37 -5.000 2.180 20.638
260 HA3 GLY 37 2HA GLY 37 -3.414 2.782 20.179
261 H GLU 38 H GLU 38 -3.537 4.861 18.799
262 HA GLU 38 HA GLU 38 -5.385 6.683 20.177
263 HB2 GLU 38 1HB GLU 38 -2.858 6.994 20.343
264 HB3 GLU 38 2HB GLU 38 -2.908 7.470 18.651
265 HG2 GLU 38 1HG GLU 38 -4.339 9.332 19.164
266 HG3 GLU 38 2HG GLU 38 -4.464 8.818 20.845
267 H LYS 39 H LYS 39 -6.387 8.393 18.994
268 HA LYS 39 HA LYS 39 -7.210 7.560 16.346
269 HB2 LYS 39 1HB LYS 39 -8.764 8.465 18.153
270 HB3 LYS 39 2HB LYS 39 -8.078 10.049 17.812
271 HG2 LYS 39 1HG LYS 39 -10.055 9.955 16.567
272 HG3 LYS 39 2HG LYS 39 -8.766 9.657 15.398
273 HD2 LYS 39 1HD LYS 39 -10.395 8.050 14.895
274 HD3 LYS 39 2HD LYS 39 -9.191 7.171 15.842
275 HE2 LYS 39 1HE LYS 39 -10.680 7.785 17.863
276 HE3 LYS 39 2HE LYS 39 -11.919 8.111 16.653
277 HZ1 LYS 39 3HZ LYS 39 -10.963 5.606 17.637
278 HZ2 LYS 39 1HZ LYS 39 -10.903 5.677 15.947
279 HZ3 LYS 39 2HZ LYS 39 -12.364 5.950 16.753
280 HA PRO 40 HA PRO 40 -4.152 10.156 14.404
281 HB2 PRO 40 1HB PRO 40 -4.921 9.624 11.855
282 HB3 PRO 40 2HB PRO 40 -3.968 8.496 12.826
283 HG2 PRO 40 1HG PRO 40 -6.912 8.509 12.280
284 HG3 PRO 40 2HG PRO 40 -5.782 7.142 12.293
285 HD2 PRO 40 1HD PRO 40 -7.427 7.692 14.372
286 HD3 PRO 40 2HD PRO 40 -5.821 6.970 14.592
287 H SER 41 H SER 41 -4.112 12.091 13.180
288 HA SER 41 HA SER 41 -6.601 13.598 13.337
289 HB2 SER 41 1HB SER 41 -5.285 15.557 13.215
290 HB3 SER 41 2HB SER 41 -4.331 14.443 14.194
291 HG SER 41 HG SER 41 -3.365 15.664 12.256
292 H GLY 42 H GLY 42 -7.257 15.005 11.557
293 HA2 GLY 42 1HA GLY 42 -6.246 14.459 8.912
294 HA3 GLY 42 2HA GLY 42 -7.822 13.745 9.219
295 HA PRO 43 HA PRO 43 -7.894 18.582 8.648
296 HB2 PRO 43 1HB PRO 43 -7.076 19.049 6.102
297 HB3 PRO 43 2HB PRO 43 -5.981 19.107 7.488
298 HG2 PRO 43 1HG PRO 43 -6.418 16.903 5.510
299 HG3 PRO 43 2HG PRO 43 -4.897 17.519 6.181
300 HD2 PRO 43 1HD PRO 43 -6.078 15.256 7.086
301 HD3 PRO 43 2HD PRO 43 -5.132 16.327 8.140
302 H SER 44 H SER 44 -10.110 17.917 8.717
303 HA SER 44 HA SER 44 -11.455 16.872 6.438
304 HB2 SER 44 1HB SER 44 -12.634 18.322 8.821
305 HB3 SER 44 2HB SER 44 -13.505 17.284 7.692
306 HG SER 44 HG SER 44 -11.683 15.728 8.463
307 H SER 45 H SER 45 -13.021 17.929 5.120
308 HA SER 45 HA SER 45 -12.847 20.855 5.018
309 HB2 SER 45 1HB SER 45 -12.517 20.826 2.598
310 HB3 SER 45 2HB SER 45 -11.208 19.953 3.396
311 HG SER 45 HG SER 45 -12.996 19.063 1.581
312 H GLY 46 H GLY 46 -14.643 21.893 4.103
313 HA2 GLY 46 1HA GLY 46 -17.097 20.393 4.323
314 HA3 GLY 46 2HA GLY 46 -16.949 22.114 4.001
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -8.972 21.608 -9.610
2 HA2 GLY 1 1HA GLY 1 -7.916 21.594 -6.928
3 HA3 GLY 1 2HA GLY 1 -9.463 20.941 -7.446
4 H SER 2 H SER 2 -6.050 20.287 -7.063
5 HA SER 2 HA SER 2 -6.510 17.451 -7.667
6 HB2 SER 2 1HB SER 2 -4.091 17.242 -7.825
7 HB3 SER 2 2HB SER 2 -4.629 18.587 -8.830
8 HG SER 2 HG SER 2 -3.094 19.569 -7.741
9 H SER 3 H SER 3 -6.828 16.099 -6.041
10 HA SER 3 HA SER 3 -6.620 16.870 -3.328
11 HB2 SER 3 1HB SER 3 -8.104 15.039 -4.425
12 HB3 SER 3 2HB SER 3 -6.698 13.995 -4.208
13 HG SER 3 HG SER 3 -6.871 14.187 -2.044
14 H GLY 4 H GLY 4 -4.722 14.517 -5.227
15 HA2 GLY 4 1HA GLY 4 -2.202 15.157 -4.569
16 HA3 GLY 4 2HA GLY 4 -2.743 14.341 -3.110
17 H SER 5 H SER 5 -2.531 13.905 -6.630
18 HA SER 5 HA SER 5 -2.375 11.005 -6.215
19 HB2 SER 5 1HB SER 5 -2.802 10.810 -8.620
20 HB3 SER 5 2HB SER 5 -4.037 11.810 -7.853
21 HG SER 5 HG SER 5 -1.740 12.931 -9.060
22 H SER 6 H SER 6 -0.143 12.344 -5.384
23 HA SER 6 HA SER 6 1.830 12.418 -7.488
24 HB2 SER 6 1HB SER 6 2.033 14.000 -5.658
25 HB3 SER 6 2HB SER 6 2.088 12.686 -4.483
26 HG SER 6 HG SER 6 4.020 11.993 -5.744
27 H GLY 7 H GLY 7 3.238 10.862 -8.050
28 HA2 GLY 7 1HA GLY 7 3.778 8.629 -6.275
29 HA3 GLY 7 2HA GLY 7 2.889 8.221 -7.735
30 H THR 8 H THR 8 5.788 7.905 -6.543
31 HA THR 8 HA THR 8 7.190 8.640 -9.029
32 HB THR 8 HB THR 8 8.164 9.808 -7.161
33 HG1 THR 8 HG1 THR 8 10.040 9.348 -8.005
34 HG21 THR 8 3HG2 THR 8 7.861 7.187 -5.833
35 HG22 THR 8 1HG2 THR 8 7.748 8.815 -5.166
36 HG23 THR 8 2HG2 THR 8 9.329 8.085 -5.447
37 H GLY 9 H GLY 9 6.268 6.071 -6.928
38 HA2 GLY 9 1HA GLY 9 7.189 4.110 -8.815
39 HA3 GLY 9 2HA GLY 9 8.117 4.098 -7.323
40 H GLU 10 H GLU 10 7.206 1.844 -7.342
41 HA GLU 10 HA GLU 10 4.527 1.826 -6.113
42 HB2 GLU 10 1HB GLU 10 5.905 -0.205 -7.858
43 HB3 GLU 10 2HB GLU 10 4.536 -0.634 -6.842
44 HG2 GLU 10 1HG GLU 10 3.622 -0.211 -8.947
45 HG3 GLU 10 2HG GLU 10 3.277 1.236 -8.002
46 H LYS 11 H LYS 11 4.371 1.133 -4.081
47 HA LYS 11 HA LYS 11 6.743 -0.105 -2.859
48 HB2 LYS 11 1HB LYS 11 4.636 1.748 -1.849
49 HB3 LYS 11 2HB LYS 11 5.355 0.616 -0.711
50 HG2 LYS 11 1HG LYS 11 6.556 2.658 -0.558
51 HG3 LYS 11 2HG LYS 11 7.597 1.489 -1.375
52 HD2 LYS 11 1HD LYS 11 6.460 2.551 -3.525
53 HD3 LYS 11 2HD LYS 11 6.266 3.926 -2.435
54 HE2 LYS 11 1HE LYS 11 8.325 4.414 -3.279
55 HE3 LYS 11 2HE LYS 11 8.810 3.403 -1.919
56 HZ1 LYS 11 3HZ LYS 11 8.266 1.966 -4.369
57 HZ2 LYS 11 1HZ LYS 11 9.544 1.796 -3.273
58 HZ3 LYS 11 2HZ LYS 11 9.594 3.011 -4.449
59 HA PRO 12 HA PRO 12 4.406 -3.858 -2.546
60 HB2 PRO 12 1HB PRO 12 6.142 -5.187 -0.936
61 HB3 PRO 12 2HB PRO 12 6.432 -4.937 -2.662
62 HG2 PRO 12 1HG PRO 12 7.520 -3.423 -0.319
63 HG3 PRO 12 2HG PRO 12 8.357 -3.972 -1.783
64 HD2 PRO 12 1HD PRO 12 7.515 -1.419 -1.457
65 HD3 PRO 12 2HD PRO 12 7.570 -2.210 -3.045
66 H TYR 13 H TYR 13 5.067 -1.663 -0.049
67 HA TYR 13 HA TYR 13 3.095 -2.994 1.672
68 HB2 TYR 13 1HB TYR 13 5.530 -1.598 2.780
69 HB3 TYR 13 2HB TYR 13 4.359 -2.580 3.652
70 HD1 TYR 13 HD2 TYR 13 4.317 -5.054 3.281
71 HD2 TYR 13 HD1 TYR 13 7.398 -2.583 1.697
72 HE1 TYR 13 HE2 TYR 13 5.733 -7.038 2.955
73 HE2 TYR 13 HE1 TYR 13 8.822 -4.561 1.366
74 HH TYR 13 HH TYR 13 7.842 -7.524 1.197
75 H LYS 14 H LYS 14 1.421 -1.636 1.368
76 HA LYS 14 HA LYS 14 1.859 1.198 2.038
77 HB2 LYS 14 1HB LYS 14 1.481 1.190 -0.307
78 HB3 LYS 14 2HB LYS 14 0.177 0.019 -0.167
79 HG2 LYS 14 1HG LYS 14 -1.310 1.608 0.698
80 HG3 LYS 14 2HG LYS 14 -0.012 2.747 1.065
81 HD2 LYS 14 1HD LYS 14 -0.912 3.662 -0.854
82 HD3 LYS 14 2HD LYS 14 0.398 2.676 -1.510
83 HE2 LYS 14 1HE LYS 14 -2.447 1.719 -1.259
84 HE3 LYS 14 2HE LYS 14 -1.803 2.485 -2.711
85 HZ1 LYS 14 3HZ LYS 14 -1.505 0.267 -3.159
86 HZ2 LYS 14 1HZ LYS 14 -1.152 -0.140 -1.556
87 HZ3 LYS 14 2HZ LYS 14 0.001 0.661 -2.499
88 H CYS 15 H CYS 15 0.602 1.973 3.612
89 HA CYS 15 HA CYS 15 -0.941 0.424 5.268
90 HB2 CYS 15 1HB CYS 15 -0.120 2.971 5.369
91 HB3 CYS 15 2HB CYS 15 -1.802 3.251 4.930
92 H ASP 16 H ASP 16 -3.192 0.180 5.598
93 HA ASP 16 HA ASP 16 -4.767 0.441 3.124
94 HB2 ASP 16 1HB ASP 16 -4.856 -1.577 5.358
95 HB3 ASP 16 2HB ASP 16 -6.204 -1.375 4.242
96 H VAL 17 H VAL 17 -4.328 2.322 5.503
97 HA VAL 17 HA VAL 17 -7.186 2.820 6.016
98 HB VAL 17 HB VAL 17 -6.540 2.186 8.133
99 HG11 VAL 17 1HG1 VAL 17 -3.889 3.585 7.817
100 HG12 VAL 17 2HG1 VAL 17 -4.381 2.505 9.122
101 HG13 VAL 17 3HG1 VAL 17 -4.150 1.872 7.492
102 HG21 VAL 17 3HG2 VAL 17 -7.454 4.450 8.211
103 HG22 VAL 17 1HG2 VAL 17 -6.271 4.198 9.495
104 HG23 VAL 17 2HG2 VAL 17 -5.829 5.118 8.057
105 H CYS 18 H CYS 18 -3.952 4.196 5.678
106 HA CYS 18 HA CYS 18 -5.196 6.795 5.055
107 HB2 CYS 18 1HB CYS 18 -3.268 7.908 5.902
108 HB3 CYS 18 2HB CYS 18 -3.717 6.705 7.106
109 H HIS 19 H HIS 19 -3.414 4.187 3.853
110 HA HIS 19 HA HIS 19 -2.652 3.745 1.744
111 HB2 HIS 19 1HB HIS 19 -3.206 6.603 0.971
112 HB3 HIS 19 2HB HIS 19 -3.151 5.182 -0.068
113 HD2 HIS 19 HD2 HIS 19 -5.283 3.599 2.213
114 HE1 HIS 19 HE1 HIS 19 -7.960 6.388 0.466
115 HE2 HIS 19 HE2 HIS 19 -7.744 4.328 1.899
116 H LYS 20 H LYS 20 -0.857 4.296 3.698
117 HA LYS 20 HA LYS 20 1.093 6.163 2.559
118 HB2 LYS 20 1HB LYS 20 0.641 4.981 5.253
119 HB3 LYS 20 2HB LYS 20 2.298 5.367 4.806
120 HG2 LYS 20 1HG LYS 20 0.129 7.400 4.485
121 HG3 LYS 20 2HG LYS 20 0.885 7.125 6.056
122 HD2 LYS 20 1HD LYS 20 2.492 7.668 3.572
123 HD3 LYS 20 2HD LYS 20 1.877 8.966 4.600
124 HE2 LYS 20 1HE LYS 20 3.010 7.596 6.511
125 HE3 LYS 20 2HE LYS 20 3.938 6.884 5.193
126 HZ1 LYS 20 3HZ LYS 20 4.265 9.402 6.430
127 HZ2 LYS 20 1HZ LYS 20 3.958 9.620 4.780
128 HZ3 LYS 20 2HZ LYS 20 5.249 8.648 5.279
129 H SER 21 H SER 21 2.285 5.240 1.010
130 HA SER 21 HA SER 21 2.858 2.481 0.838
131 HB2 SER 21 1HB SER 21 4.719 3.421 -0.779
132 HB3 SER 21 2HB SER 21 3.015 3.526 -1.221
133 HG SER 21 HG SER 21 4.801 5.515 -0.710
134 H PHE 22 H PHE 22 4.939 1.440 0.984
135 HA PHE 22 HA PHE 22 7.052 2.739 2.458
136 HB2 PHE 22 1HB PHE 22 5.474 0.477 3.699
137 HB3 PHE 22 2HB PHE 22 7.028 1.048 4.298
138 HD1 PHE 22 HD1 PHE 22 7.223 3.320 5.252
139 HD2 PHE 22 HD2 PHE 22 3.466 1.645 4.159
140 HE1 PHE 22 HE1 PHE 22 6.075 5.015 6.616
141 HE2 PHE 22 HE2 PHE 22 2.311 3.338 5.521
142 HZ PHE 22 HZ PHE 22 3.616 5.026 6.751
143 H ARG 23 H ARG 23 8.638 2.189 1.091
144 HA ARG 23 HA ARG 23 8.869 0.074 -0.594
145 HB2 ARG 23 1HB ARG 23 10.492 1.835 -0.653
146 HB3 ARG 23 2HB ARG 23 11.040 1.462 0.976
147 HG2 ARG 23 1HG ARG 23 12.188 -0.433 0.296
148 HG3 ARG 23 2HG ARG 23 11.266 -0.571 -1.203
149 HD2 ARG 23 1HD ARG 23 13.253 1.605 -0.560
150 HD3 ARG 23 2HD ARG 23 13.565 0.209 -1.590
151 HE ARG 23 HE ARG 23 11.323 1.861 -2.379
152 HH11 ARG 23 1HH1 ARG 23 14.719 1.184 -2.735
153 HH12 ARG 23 2HH1 ARG 23 14.843 1.952 -4.283
154 HH21 ARG 23 1HH2 ARG 23 11.473 2.875 -4.417
155 HH22 ARG 23 2HH2 ARG 23 12.997 2.915 -5.238
156 H TYR 24 H TYR 24 9.358 0.058 2.860
157 HA TYR 24 HA TYR 24 10.011 -2.813 2.725
158 HB2 TYR 24 1HB TYR 24 10.773 -0.739 4.785
159 HB3 TYR 24 2HB TYR 24 10.987 -2.469 5.028
160 HD1 TYR 24 HD2 TYR 24 11.833 0.192 2.543
161 HD2 TYR 24 HD1 TYR 24 13.027 -3.404 4.479
162 HE1 TYR 24 HE2 TYR 24 14.010 0.308 1.404
163 HE2 TYR 24 HE1 TYR 24 15.207 -3.297 3.346
164 HH TYR 24 HH TYR 24 16.657 -1.633 2.297
165 H GLY 25 H GLY 25 9.057 -4.204 4.292
166 HA2 GLY 25 1HA GLY 25 6.324 -3.566 4.845
167 HA3 GLY 25 2HA GLY 25 7.161 -5.042 5.300
168 H SER 26 H SER 26 9.255 -3.769 6.791
169 HA SER 26 HA SER 26 8.076 -3.689 9.326
170 HB2 SER 26 1HB SER 26 10.741 -2.558 8.438
171 HB3 SER 26 2HB SER 26 10.263 -2.841 10.112
172 HG SER 26 HG SER 26 10.207 -4.917 8.202
173 H SER 27 H SER 27 9.172 -1.045 7.225
174 HA SER 27 HA SER 27 8.686 1.097 8.912
175 HB2 SER 27 1HB SER 27 8.349 0.966 5.906
176 HB3 SER 27 2HB SER 27 8.446 2.454 6.849
177 HG SER 27 HG SER 27 10.440 0.585 6.246
178 H LEU 28 H LEU 28 6.459 -0.440 6.607
179 HA LEU 28 HA LEU 28 4.254 1.176 6.908
180 HB2 LEU 28 1HB LEU 28 4.220 -0.538 5.276
181 HB3 LEU 28 2HB LEU 28 4.464 -1.793 6.488
182 HG LEU 28 HG LEU 28 2.201 -1.399 7.345
183 HD11 LEU 28 1HD1 LEU 28 1.020 0.050 5.248
184 HD12 LEU 28 2HD1 LEU 28 2.423 0.980 5.770
185 HD13 LEU 28 3HD1 LEU 28 1.182 0.526 6.938
186 HD21 LEU 28 3HD2 LEU 28 2.242 -3.138 5.813
187 HD22 LEU 28 1HD2 LEU 28 2.612 -2.072 4.457
188 HD23 LEU 28 2HD2 LEU 28 0.993 -2.078 5.159
189 H THR 29 H THR 29 4.671 -1.909 8.653
190 HA THR 29 HA THR 29 2.615 -1.643 10.455
191 HB THR 29 HB THR 29 5.317 -2.906 10.962
192 HG1 THR 29 HG1 THR 29 4.506 -4.625 9.964
193 HG21 THR 29 3HG2 THR 29 2.821 -3.790 12.326
194 HG22 THR 29 1HG2 THR 29 3.640 -2.350 12.929
195 HG23 THR 29 2HG2 THR 29 4.497 -3.890 12.865
196 H VAL 30 H VAL 30 6.015 -0.731 11.049
197 HA VAL 30 HA VAL 30 5.744 0.367 13.559
198 HB VAL 30 HB VAL 30 7.538 1.345 11.333
199 HG11 VAL 30 1HG1 VAL 30 7.372 3.020 13.067
200 HG12 VAL 30 2HG1 VAL 30 7.679 1.806 14.310
201 HG13 VAL 30 3HG1 VAL 30 8.945 2.230 13.158
202 HG21 VAL 30 3HG2 VAL 30 7.530 -1.050 12.920
203 HG22 VAL 30 1HG2 VAL 30 8.600 -0.589 11.597
204 HG23 VAL 30 2HG2 VAL 30 8.981 -0.104 13.249
205 H HIS 31 H HIS 31 4.558 1.575 10.567
206 HA HIS 31 HA HIS 31 4.187 4.277 11.585
207 HB2 HIS 31 1HB HIS 31 4.675 4.507 9.365
208 HB3 HIS 31 2HB HIS 31 3.968 2.952 8.937
209 HD1 HIS 31 HD1 HIS 31 3.242 6.558 9.066
210 HD2 HIS 31 HD2 HIS 31 1.117 3.020 8.590
211 HE1 HIS 31 HE1 HIS 31 0.990 7.240 8.176
212 H GLN 32 H GLN 32 2.210 1.528 10.519
213 HA GLN 32 HA GLN 32 -0.309 2.619 10.842
214 HB2 GLN 32 1HB GLN 32 0.478 -0.223 11.503
215 HB3 GLN 32 2HB GLN 32 -1.130 0.348 11.075
216 HG2 GLN 32 1HG GLN 32 -0.150 1.054 8.859
217 HG3 GLN 32 2HG GLN 32 1.293 0.149 9.315
218 HE21 GLN 32 1HE2 GLN 32 -1.914 -0.011 8.140
219 HE22 GLN 32 2HE2 GLN 32 -1.996 -1.725 7.935
220 H ARG 33 H ARG 33 2.033 2.051 13.215
221 HA ARG 33 HA ARG 33 0.678 1.312 15.478
222 HB2 ARG 33 1HB ARG 33 2.848 3.397 15.203
223 HB3 ARG 33 2HB ARG 33 2.318 2.717 16.736
224 HG2 ARG 33 1HG ARG 33 2.881 0.440 15.612
225 HG3 ARG 33 2HG ARG 33 3.854 1.434 14.525
226 HD2 ARG 33 1HD ARG 33 4.080 1.659 17.511
227 HD3 ARG 33 2HD ARG 33 4.997 0.461 16.598
228 HE ARG 33 HE ARG 33 5.251 3.183 15.656
229 HH11 ARG 33 1HH1 ARG 33 6.526 0.686 17.719
230 HH12 ARG 33 2HH1 ARG 33 8.110 1.383 17.803
231 HH21 ARG 33 1HH2 ARG 33 7.332 4.111 15.759
232 HH22 ARG 33 2HH2 ARG 33 8.567 3.332 16.689
233 H ILE 34 H ILE 34 0.688 4.450 13.892
234 HA ILE 34 HA ILE 34 -0.674 5.856 15.948
235 HB ILE 34 HB ILE 34 -0.768 7.668 14.514
236 HG12 ILE 34 1HG1 ILE 34 -2.137 6.426 12.795
237 HG13 ILE 34 2HG1 ILE 34 -0.992 7.589 12.134
238 HG21 ILE 34 1HG2 ILE 34 1.559 6.720 14.839
239 HG22 ILE 34 2HG2 ILE 34 1.434 6.110 13.190
240 HG23 ILE 34 3HG2 ILE 34 1.352 7.845 13.497
241 HD11 ILE 34 3HD1 ILE 34 -0.395 4.656 12.362
242 HD12 ILE 34 1HD1 ILE 34 -1.143 5.385 10.942
243 HD13 ILE 34 2HD1 ILE 34 0.477 5.877 11.437
244 H HIS 35 H HIS 35 -1.707 3.782 13.367
245 HA HIS 35 HA HIS 35 -4.458 4.639 13.438
246 HB2 HIS 35 1HB HIS 35 -3.122 2.268 12.120
247 HB3 HIS 35 2HB HIS 35 -4.826 2.673 11.937
248 HD1 HIS 35 HD1 HIS 35 -4.792 5.604 11.359
249 HD2 HIS 35 HD2 HIS 35 -1.962 2.997 9.794
250 HE1 HIS 35 HE1 HIS 35 -3.882 6.749 9.313
251 H THR 36 H THR 36 -2.493 2.481 15.208
252 HA THR 36 HA THR 36 -4.870 1.138 16.316
253 HB THR 36 HB THR 36 -3.223 -0.397 15.295
254 HG1 THR 36 HG1 THR 36 -4.296 -1.395 16.901
255 HG21 THR 36 3HG2 THR 36 -1.280 1.186 16.094
256 HG22 THR 36 1HG2 THR 36 -1.017 -0.550 15.937
257 HG23 THR 36 2HG2 THR 36 -1.318 0.156 17.524
258 H GLY 37 H GLY 37 -5.436 1.619 18.335
259 HA2 GLY 37 1HA GLY 37 -4.848 1.837 20.669
260 HA3 GLY 37 2HA GLY 37 -3.366 2.639 20.169
261 H GLU 38 H GLU 38 -3.355 4.819 19.832
262 HA GLU 38 HA GLU 38 -5.895 6.215 20.369
263 HB2 GLU 38 1HB GLU 38 -3.884 6.341 22.037
264 HB3 GLU 38 2HB GLU 38 -3.218 7.469 20.864
265 HG2 GLU 38 1HG GLU 38 -4.291 8.931 22.222
266 HG3 GLU 38 2HG GLU 38 -5.598 8.576 21.094
267 H LYS 39 H LYS 39 -6.578 7.728 18.965
268 HA LYS 39 HA LYS 39 -4.874 8.252 16.625
269 HB2 LYS 39 1HB LYS 39 -6.901 8.683 15.383
270 HB3 LYS 39 2HB LYS 39 -7.047 7.131 16.197
271 HG2 LYS 39 1HG LYS 39 -9.090 7.988 16.677
272 HG3 LYS 39 2HG LYS 39 -8.192 8.625 18.056
273 HD2 LYS 39 1HD LYS 39 -9.267 10.521 17.331
274 HD3 LYS 39 2HD LYS 39 -7.750 10.643 16.437
275 HE2 LYS 39 1HE LYS 39 -9.468 11.095 14.880
276 HE3 LYS 39 2HE LYS 39 -8.921 9.454 14.540
277 HZ1 LYS 39 3HZ LYS 39 -10.854 8.856 16.171
278 HZ2 LYS 39 1HZ LYS 39 -11.170 9.167 14.538
279 HZ3 LYS 39 2HZ LYS 39 -11.455 10.365 15.698
280 HA PRO 40 HA PRO 40 -4.510 12.494 17.727
281 HB2 PRO 40 1HB PRO 40 -4.128 13.573 15.265
282 HB3 PRO 40 2HB PRO 40 -2.890 12.628 16.102
283 HG2 PRO 40 1HG PRO 40 -4.791 11.777 13.952
284 HG3 PRO 40 2HG PRO 40 -3.066 11.409 14.130
285 HD2 PRO 40 1HD PRO 40 -5.008 9.652 14.816
286 HD3 PRO 40 2HD PRO 40 -3.452 9.735 15.667
287 H SER 41 H SER 41 -5.803 14.242 17.998
288 HA SER 41 HA SER 41 -8.513 14.146 17.487
289 HB2 SER 41 1HB SER 41 -7.666 15.656 19.153
290 HB3 SER 41 2HB SER 41 -6.721 16.538 17.952
291 HG SER 41 HG SER 41 -8.448 17.608 17.375
292 H GLY 42 H GLY 42 -9.883 15.012 15.948
293 HA2 GLY 42 1HA GLY 42 -10.556 15.714 13.869
294 HA3 GLY 42 2HA GLY 42 -9.095 16.690 13.828
295 HA PRO 43 HA PRO 43 -8.685 12.435 11.477
296 HB2 PRO 43 1HB PRO 43 -10.634 12.359 9.588
297 HB3 PRO 43 2HB PRO 43 -10.815 11.623 11.185
298 HG2 PRO 43 1HG PRO 43 -11.825 14.259 10.189
299 HG3 PRO 43 2HG PRO 43 -12.652 13.048 11.186
300 HD2 PRO 43 1HD PRO 43 -11.536 15.281 12.235
301 HD3 PRO 43 2HD PRO 43 -11.610 13.744 13.120
302 H SER 44 H SER 44 -8.596 12.204 8.892
303 HA SER 44 HA SER 44 -7.453 14.738 7.923
304 HB2 SER 44 1HB SER 44 -5.971 13.415 6.526
305 HB3 SER 44 2HB SER 44 -5.853 12.848 8.191
306 HG SER 44 HG SER 44 -7.787 11.560 6.755
307 H SER 45 H SER 45 -7.832 15.396 5.790
308 HA SER 45 HA SER 45 -10.236 14.203 4.584
309 HB2 SER 45 1HB SER 45 -10.163 16.678 5.361
310 HB3 SER 45 2HB SER 45 -9.191 16.942 3.914
311 HG SER 45 HG SER 45 -11.800 16.844 4.065
312 H GLY 46 H GLY 46 -10.265 13.597 2.459
313 HA2 GLY 46 1HA GLY 46 -8.991 14.144 0.263
314 HA3 GLY 46 2HA GLY 46 -7.636 13.467 1.153
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -4.428 6.311 -24.579
2 HA2 GLY 1 1HA GLY 1 -5.400 9.025 -23.931
3 HA3 GLY 1 2HA GLY 1 -6.207 7.549 -23.423
4 H SER 2 H SER 2 -6.101 7.643 -21.256
5 HA SER 2 HA SER 2 -3.957 8.720 -19.780
6 HB2 SER 2 1HB SER 2 -6.289 6.956 -19.090
7 HB3 SER 2 2HB SER 2 -5.046 7.295 -17.886
8 HG SER 2 HG SER 2 -7.075 8.848 -18.684
9 H SER 3 H SER 3 -1.956 7.928 -19.960
10 HA SER 3 HA SER 3 -1.596 5.009 -19.774
11 HB2 SER 3 1HB SER 3 0.565 5.351 -20.932
12 HB3 SER 3 2HB SER 3 -0.798 5.906 -21.903
13 HG SER 3 HG SER 3 1.153 7.329 -21.650
14 H GLY 4 H GLY 4 0.401 4.295 -18.680
15 HA2 GLY 4 1HA GLY 4 1.715 6.130 -16.888
16 HA3 GLY 4 2HA GLY 4 0.593 5.049 -16.076
17 H SER 5 H SER 5 3.072 4.753 -18.626
18 HA SER 5 HA SER 5 3.983 2.281 -17.328
19 HB2 SER 5 1HB SER 5 4.162 3.318 -20.143
20 HB3 SER 5 2HB SER 5 5.269 2.066 -19.582
21 HG SER 5 HG SER 5 3.697 0.756 -20.040
22 H SER 6 H SER 6 5.811 2.287 -16.212
23 HA SER 6 HA SER 6 8.111 3.788 -17.017
24 HB2 SER 6 1HB SER 6 6.467 4.709 -14.672
25 HB3 SER 6 2HB SER 6 8.208 4.986 -14.718
26 HG SER 6 HG SER 6 6.191 6.189 -16.151
27 H GLY 7 H GLY 7 9.999 3.187 -15.893
28 HA2 GLY 7 1HA GLY 7 9.825 0.572 -14.678
29 HA3 GLY 7 2HA GLY 7 11.297 1.456 -15.049
30 H THR 8 H THR 8 8.484 1.759 -12.878
31 HA THR 8 HA THR 8 10.368 2.476 -10.725
32 HB THR 8 HB THR 8 7.507 3.421 -10.976
33 HG1 THR 8 HG1 THR 8 9.983 4.650 -11.627
34 HG21 THR 8 3HG2 THR 8 9.059 3.214 -8.723
35 HG22 THR 8 1HG2 THR 8 7.712 4.332 -8.933
36 HG23 THR 8 2HG2 THR 8 9.362 4.872 -9.242
37 H GLY 9 H GLY 9 10.123 1.505 -8.749
38 HA2 GLY 9 1HA GLY 9 8.380 -0.844 -8.714
39 HA3 GLY 9 2HA GLY 9 9.716 -0.527 -7.618
40 H GLU 10 H GLU 10 6.350 -0.314 -8.107
41 HA GLU 10 HA GLU 10 5.672 1.708 -6.274
42 HB2 GLU 10 1HB GLU 10 3.444 0.655 -6.232
43 HB3 GLU 10 2HB GLU 10 4.056 0.846 -7.868
44 HG2 GLU 10 1HG GLU 10 4.620 -1.481 -7.991
45 HG3 GLU 10 2HG GLU 10 4.200 -1.713 -6.295
46 H LYS 11 H LYS 11 5.748 1.783 -4.130
47 HA LYS 11 HA LYS 11 7.020 0.082 -2.470
48 HB2 LYS 11 1HB LYS 11 4.753 1.974 -2.010
49 HB3 LYS 11 2HB LYS 11 5.267 0.935 -0.687
50 HG2 LYS 11 1HG LYS 11 6.499 2.848 -0.329
51 HG3 LYS 11 2HG LYS 11 7.634 1.832 -1.220
52 HD2 LYS 11 1HD LYS 11 5.868 3.627 -2.792
53 HD3 LYS 11 2HD LYS 11 7.180 4.371 -1.875
54 HE2 LYS 11 1HE LYS 11 8.823 3.228 -3.068
55 HE3 LYS 11 2HE LYS 11 7.690 2.005 -3.641
56 HZ1 LYS 11 3HZ LYS 11 8.206 3.448 -5.443
57 HZ2 LYS 11 1HZ LYS 11 7.869 4.831 -4.528
58 HZ3 LYS 11 2HZ LYS 11 6.617 3.784 -4.972
59 HA PRO 12 HA PRO 12 4.488 -3.596 -2.655
60 HB2 PRO 12 1HB PRO 12 6.113 -5.104 -1.087
61 HB3 PRO 12 2HB PRO 12 6.459 -4.770 -2.788
62 HG2 PRO 12 1HG PRO 12 7.561 -3.452 -0.337
63 HG3 PRO 12 2HG PRO 12 8.406 -3.958 -1.811
64 HD2 PRO 12 1HD PRO 12 7.686 -1.388 -1.354
65 HD3 PRO 12 2HD PRO 12 7.742 -2.088 -2.984
66 H TYR 13 H TYR 13 5.032 -1.498 -0.111
67 HA TYR 13 HA TYR 13 3.031 -2.879 1.526
68 HB2 TYR 13 1HB TYR 13 5.464 -1.572 2.745
69 HB3 TYR 13 2HB TYR 13 4.243 -2.544 3.559
70 HD1 TYR 13 HD2 TYR 13 4.146 -5.004 3.123
71 HD2 TYR 13 HD1 TYR 13 7.332 -2.580 1.684
72 HE1 TYR 13 HE2 TYR 13 5.516 -7.018 2.781
73 HE2 TYR 13 HE1 TYR 13 8.711 -4.587 1.337
74 HH TYR 13 HH TYR 13 7.454 -7.828 2.077
75 H LYS 14 H LYS 14 1.369 -1.510 1.374
76 HA LYS 14 HA LYS 14 1.850 1.309 2.072
77 HB2 LYS 14 1HB LYS 14 1.450 1.336 -0.276
78 HB3 LYS 14 2HB LYS 14 0.113 0.203 -0.132
79 HG2 LYS 14 1HG LYS 14 -1.260 1.855 0.922
80 HG3 LYS 14 2HG LYS 14 0.095 2.983 1.021
81 HD2 LYS 14 1HD LYS 14 -0.981 3.778 -0.845
82 HD3 LYS 14 2HD LYS 14 0.150 2.643 -1.585
83 HE2 LYS 14 1HE LYS 14 -2.565 1.706 -0.767
84 HE3 LYS 14 2HE LYS 14 -2.377 2.627 -2.259
85 HZ1 LYS 14 3HZ LYS 14 -0.438 0.541 -2.021
86 HZ2 LYS 14 1HZ LYS 14 -1.511 0.874 -3.286
87 HZ3 LYS 14 2HZ LYS 14 -2.018 -0.062 -1.972
88 H CYS 15 H CYS 15 0.607 2.074 3.664
89 HA CYS 15 HA CYS 15 -0.910 0.530 5.332
90 HB2 CYS 15 1HB CYS 15 -0.140 3.101 5.385
91 HB3 CYS 15 2HB CYS 15 -1.839 3.330 4.985
92 H ASP 16 H ASP 16 -3.161 0.272 5.693
93 HA ASP 16 HA ASP 16 -4.757 0.457 3.225
94 HB2 ASP 16 1HB ASP 16 -4.642 -1.561 5.426
95 HB3 ASP 16 2HB ASP 16 -6.170 -1.319 4.583
96 H VAL 17 H VAL 17 -4.312 2.329 5.665
97 HA VAL 17 HA VAL 17 -7.177 2.853 6.117
98 HB VAL 17 HB VAL 17 -6.589 2.215 8.244
99 HG11 VAL 17 1HG1 VAL 17 -4.423 2.548 9.280
100 HG12 VAL 17 2HG1 VAL 17 -4.226 1.784 7.702
101 HG13 VAL 17 3HG1 VAL 17 -3.883 3.503 7.900
102 HG21 VAL 17 3HG2 VAL 17 -5.767 5.119 8.218
103 HG22 VAL 17 1HG2 VAL 17 -7.426 4.523 8.288
104 HG23 VAL 17 2HG2 VAL 17 -6.316 4.203 9.621
105 H CYS 18 H CYS 18 -3.948 4.165 5.690
106 HA CYS 18 HA CYS 18 -5.158 6.789 5.108
107 HB2 CYS 18 1HB CYS 18 -3.243 7.895 5.991
108 HB3 CYS 18 2HB CYS 18 -3.716 6.693 7.187
109 H HIS 19 H HIS 19 -3.615 4.153 3.824
110 HA HIS 19 HA HIS 19 -2.696 3.705 1.791
111 HB2 HIS 19 1HB HIS 19 -4.036 6.325 1.343
112 HB3 HIS 19 2HB HIS 19 -2.879 5.789 0.128
113 HD2 HIS 19 HD2 HIS 19 -5.541 3.482 1.917
114 HE1 HIS 19 HE1 HIS 19 -6.234 3.470 -2.268
115 HE2 HIS 19 HE2 HIS 19 -6.976 2.575 -0.034
116 H LYS 20 H LYS 20 -0.887 4.271 3.672
117 HA LYS 20 HA LYS 20 0.983 6.218 2.524
118 HB2 LYS 20 1HB LYS 20 0.580 5.050 5.229
119 HB3 LYS 20 2HB LYS 20 2.227 5.462 4.770
120 HG2 LYS 20 1HG LYS 20 0.043 7.463 4.410
121 HG3 LYS 20 2HG LYS 20 0.748 7.199 6.006
122 HD2 LYS 20 1HD LYS 20 2.402 7.783 3.558
123 HD3 LYS 20 2HD LYS 20 1.785 9.047 4.624
124 HE2 LYS 20 1HE LYS 20 2.915 7.783 6.519
125 HE3 LYS 20 2HE LYS 20 3.733 6.848 5.268
126 HZ1 LYS 20 3HZ LYS 20 5.230 8.460 5.178
127 HZ2 LYS 20 1HZ LYS 20 4.343 9.434 6.240
128 HZ3 LYS 20 2HZ LYS 20 4.044 9.506 4.576
129 H SER 21 H SER 21 2.201 5.329 0.976
130 HA SER 21 HA SER 21 2.854 2.590 0.804
131 HB2 SER 21 1HB SER 21 4.677 3.564 -0.821
132 HB3 SER 21 2HB SER 21 2.970 3.661 -1.251
133 HG SER 21 HG SER 21 4.402 5.727 0.063
134 H PHE 22 H PHE 22 4.878 1.548 1.062
135 HA PHE 22 HA PHE 22 6.971 2.926 2.528
136 HB2 PHE 22 1HB PHE 22 5.444 0.592 3.695
137 HB3 PHE 22 2HB PHE 22 6.990 1.164 4.315
138 HD1 PHE 22 HD1 PHE 22 7.157 3.366 5.388
139 HD2 PHE 22 HD2 PHE 22 3.418 1.763 4.136
140 HE1 PHE 22 HE1 PHE 22 5.985 5.003 6.802
141 HE2 PHE 22 HE2 PHE 22 2.241 3.399 5.547
142 HZ PHE 22 HZ PHE 22 3.524 5.022 6.882
143 H ARG 23 H ARG 23 8.593 2.471 1.167
144 HA ARG 23 HA ARG 23 8.961 0.476 -0.597
145 HB2 ARG 23 1HB ARG 23 11.194 1.430 1.199
146 HB3 ARG 23 2HB ARG 23 11.337 0.814 -0.442
147 HG2 ARG 23 1HG ARG 23 11.436 3.000 -0.951
148 HG3 ARG 23 2HG ARG 23 9.677 2.876 -0.878
149 HD2 ARG 23 1HD ARG 23 10.162 3.358 1.698
150 HD3 ARG 23 2HD ARG 23 11.579 4.146 1.007
151 HE ARG 23 HE ARG 23 9.607 5.176 -0.478
152 HH11 ARG 23 1HH1 ARG 23 9.941 4.780 2.965
153 HH12 ARG 23 2HH1 ARG 23 8.983 6.172 3.349
154 HH21 ARG 23 1HH2 ARG 23 8.343 7.009 0.015
155 HH22 ARG 23 2HH2 ARG 23 8.073 7.438 1.671
156 H TYR 24 H TYR 24 9.334 0.214 2.876
157 HA TYR 24 HA TYR 24 9.852 -2.669 2.550
158 HB2 TYR 24 1HB TYR 24 10.669 -0.975 4.915
159 HB3 TYR 24 2HB TYR 24 11.108 -2.651 4.605
160 HD1 TYR 24 HD2 TYR 24 11.423 0.742 3.078
161 HD2 TYR 24 HD1 TYR 24 13.153 -3.107 3.619
162 HE1 TYR 24 HE2 TYR 24 13.454 1.497 1.913
163 HE2 TYR 24 HE1 TYR 24 15.189 -2.362 2.457
164 HH TYR 24 HH TYR 24 15.388 0.163 0.533
165 H GLY 25 H GLY 25 8.872 -4.089 4.083
166 HA2 GLY 25 1HA GLY 25 6.194 -3.345 4.739
167 HA3 GLY 25 2HA GLY 25 6.972 -4.873 5.123
168 H SER 26 H SER 26 9.123 -3.896 6.649
169 HA SER 26 HA SER 26 8.027 -3.814 9.193
170 HB2 SER 26 1HB SER 26 10.712 -2.812 8.225
171 HB3 SER 26 2HB SER 26 10.281 -2.987 9.926
172 HG SER 26 HG SER 26 10.800 -4.938 8.003
173 H SER 27 H SER 27 9.104 -1.130 7.144
174 HA SER 27 HA SER 27 8.715 0.946 8.970
175 HB2 SER 27 1HB SER 27 8.329 1.086 5.971
176 HB3 SER 27 2HB SER 27 8.692 2.433 7.050
177 HG SER 27 HG SER 27 10.559 0.676 7.499
178 H LEU 28 H LEU 28 6.477 -0.463 6.605
179 HA LEU 28 HA LEU 28 4.322 1.231 6.914
180 HB2 LEU 28 1HB LEU 28 4.219 -0.396 5.219
181 HB3 LEU 28 2HB LEU 28 4.480 -1.714 6.359
182 HG LEU 28 HG LEU 28 2.230 -1.355 7.274
183 HD11 LEU 28 1HD1 LEU 28 1.498 0.415 5.012
184 HD12 LEU 28 2HD1 LEU 28 2.346 1.140 6.377
185 HD13 LEU 28 3HD1 LEU 28 0.816 0.303 6.635
186 HD21 LEU 28 3HD2 LEU 28 0.975 -2.152 5.307
187 HD22 LEU 28 1HD2 LEU 28 2.515 -2.986 5.513
188 HD23 LEU 28 2HD2 LEU 28 2.350 -1.732 4.284
189 H THR 29 H THR 29 4.671 -1.905 8.582
190 HA THR 29 HA THR 29 2.577 -1.664 10.350
191 HB THR 29 HB THR 29 5.250 -2.988 10.840
192 HG1 THR 29 HG1 THR 29 3.866 -3.712 9.033
193 HG21 THR 29 3HG2 THR 29 4.331 -4.113 12.670
194 HG22 THR 29 1HG2 THR 29 2.679 -3.691 12.220
195 HG23 THR 29 2HG2 THR 29 3.757 -2.459 12.875
196 H VAL 30 H VAL 30 5.979 -0.825 11.033
197 HA VAL 30 HA VAL 30 5.685 0.205 13.566
198 HB VAL 30 HB VAL 30 7.516 1.242 11.397
199 HG11 VAL 30 1HG1 VAL 30 7.276 2.816 13.266
200 HG12 VAL 30 2HG1 VAL 30 7.723 1.534 14.393
201 HG13 VAL 30 3HG1 VAL 30 8.891 2.111 13.203
202 HG21 VAL 30 3HG2 VAL 30 8.623 -0.671 11.616
203 HG22 VAL 30 1HG2 VAL 30 8.865 -0.326 13.328
204 HG23 VAL 30 2HG2 VAL 30 7.448 -1.235 12.803
205 H HIS 31 H HIS 31 4.551 1.516 10.597
206 HA HIS 31 HA HIS 31 4.188 4.187 11.699
207 HB2 HIS 31 1HB HIS 31 4.722 4.486 9.496
208 HB3 HIS 31 2HB HIS 31 4.004 2.956 9.003
209 HD1 HIS 31 HD1 HIS 31 3.331 6.562 9.214
210 HD2 HIS 31 HD2 HIS 31 1.149 3.074 8.639
211 HE1 HIS 31 HE1 HIS 31 1.101 7.304 8.317
212 H GLN 32 H GLN 32 2.231 1.457 10.575
213 HA GLN 32 HA GLN 32 -0.296 2.553 10.844
214 HB2 GLN 32 1HB GLN 32 0.506 -0.292 11.476
215 HB3 GLN 32 2HB GLN 32 -1.115 0.266 11.085
216 HG2 GLN 32 1HG GLN 32 -0.208 1.005 8.861
217 HG3 GLN 32 2HG GLN 32 1.279 0.152 9.275
218 HE21 GLN 32 1HE2 GLN 32 -2.146 -0.211 8.647
219 HE22 GLN 32 2HE2 GLN 32 -2.089 -1.889 8.240
220 H ARG 33 H ARG 33 1.996 1.989 13.259
221 HA ARG 33 HA ARG 33 0.579 1.237 15.489
222 HB2 ARG 33 1HB ARG 33 2.741 3.348 15.352
223 HB3 ARG 33 2HB ARG 33 2.226 2.503 16.806
224 HG2 ARG 33 1HG ARG 33 2.957 0.378 15.796
225 HG3 ARG 33 2HG ARG 33 3.541 1.275 14.393
226 HD2 ARG 33 1HD ARG 33 5.314 2.162 15.526
227 HD3 ARG 33 2HD ARG 33 4.474 2.138 17.076
228 HE ARG 33 HE ARG 33 6.039 0.004 15.905
229 HH11 ARG 33 1HH1 ARG 33 3.695 0.925 18.308
230 HH12 ARG 33 2HH1 ARG 33 4.012 -0.439 19.328
231 HH21 ARG 33 1HH2 ARG 33 6.466 -1.796 17.240
232 HH22 ARG 33 2HH2 ARG 33 5.589 -1.985 18.720
233 H ILE 34 H ILE 34 0.726 4.415 13.968
234 HA ILE 34 HA ILE 34 -0.684 5.809 15.991
235 HB ILE 34 HB ILE 34 -0.677 7.644 14.594
236 HG12 ILE 34 1HG1 ILE 34 -2.074 6.547 12.835
237 HG13 ILE 34 2HG1 ILE 34 -0.821 7.600 12.186
238 HG21 ILE 34 1HG2 ILE 34 1.481 6.104 13.196
239 HG22 ILE 34 2HG2 ILE 34 1.466 7.796 13.691
240 HG23 ILE 34 3HG2 ILE 34 1.615 6.525 14.904
241 HD11 ILE 34 3HD1 ILE 34 -1.203 5.344 11.060
242 HD12 ILE 34 1HD1 ILE 34 0.457 5.806 11.434
243 HD13 ILE 34 2HD1 ILE 34 -0.391 4.652 12.464
244 H HIS 35 H HIS 35 -1.680 3.713 13.444
245 HA HIS 35 HA HIS 35 -4.412 4.653 13.390
246 HB2 HIS 35 1HB HIS 35 -3.066 2.257 12.130
247 HB3 HIS 35 2HB HIS 35 -4.767 2.656 11.908
248 HD1 HIS 35 HD1 HIS 35 -4.656 5.625 11.360
249 HD2 HIS 35 HD2 HIS 35 -1.933 2.923 9.765
250 HE1 HIS 35 HE1 HIS 35 -3.724 6.742 9.308
251 H THR 36 H THR 36 -2.834 3.210 15.735
252 HA THR 36 HA THR 36 -5.191 1.723 16.633
253 HB THR 36 HB THR 36 -3.620 0.050 15.706
254 HG1 THR 36 HG1 THR 36 -4.712 0.085 18.143
255 HG21 THR 36 3HG2 THR 36 -1.471 0.894 15.976
256 HG22 THR 36 1HG2 THR 36 -1.552 -0.346 17.227
257 HG23 THR 36 2HG2 THR 36 -1.754 1.353 17.655
258 H GLY 37 H GLY 37 -5.513 1.722 18.853
259 HA2 GLY 37 1HA GLY 37 -4.088 2.100 21.008
260 HA3 GLY 37 2HA GLY 37 -3.902 3.699 20.304
261 H GLU 38 H GLU 38 -4.923 3.839 22.670
262 HA GLU 38 HA GLU 38 -7.850 3.844 22.408
263 HB2 GLU 38 1HB GLU 38 -7.011 2.574 24.310
264 HB3 GLU 38 2HB GLU 38 -6.104 3.971 24.872
265 HG2 GLU 38 1HG GLU 38 -7.944 4.043 26.231
266 HG3 GLU 38 2HG GLU 38 -8.432 5.124 24.928
267 H LYS 39 H LYS 39 -8.207 5.762 21.349
268 HA LYS 39 HA LYS 39 -7.333 8.203 22.752
269 HB2 LYS 39 1HB LYS 39 -7.440 9.369 20.614
270 HB3 LYS 39 2HB LYS 39 -6.355 7.989 20.505
271 HG2 LYS 39 1HG LYS 39 -7.495 7.711 18.566
272 HG3 LYS 39 2HG LYS 39 -8.552 6.793 19.642
273 HD2 LYS 39 1HD LYS 39 -10.110 8.558 19.780
274 HD3 LYS 39 2HD LYS 39 -8.975 9.719 19.090
275 HE2 LYS 39 1HE LYS 39 -10.594 9.148 17.416
276 HE3 LYS 39 2HE LYS 39 -9.047 8.436 16.963
277 HZ1 LYS 39 3HZ LYS 39 -11.493 7.145 17.300
278 HZ2 LYS 39 1HZ LYS 39 -10.473 6.597 18.534
279 HZ3 LYS 39 2HZ LYS 39 -9.997 6.454 16.918
280 HA PRO 40 HA PRO 40 -11.562 9.144 23.510
281 HB2 PRO 40 1HB PRO 40 -11.392 11.845 23.724
282 HB3 PRO 40 2HB PRO 40 -10.795 10.743 24.970
283 HG2 PRO 40 1HG PRO 40 -9.280 12.169 22.817
284 HG3 PRO 40 2HG PRO 40 -8.853 11.942 24.523
285 HD2 PRO 40 1HD PRO 40 -7.793 10.430 22.543
286 HD3 PRO 40 2HD PRO 40 -8.084 9.797 24.176
287 H SER 41 H SER 41 -12.609 8.599 21.595
288 HA SER 41 HA SER 41 -12.565 10.467 19.366
289 HB2 SER 41 1HB SER 41 -12.486 8.176 18.712
290 HB3 SER 41 2HB SER 41 -13.839 7.758 19.763
291 HG SER 41 HG SER 41 -14.540 7.938 17.623
292 H GLY 42 H GLY 42 -13.620 12.268 20.260
293 HA2 GLY 42 1HA GLY 42 -15.821 12.583 21.730
294 HA3 GLY 42 2HA GLY 42 -15.560 13.558 20.291
295 HA PRO 43 HA PRO 43 -19.198 10.391 19.949
296 HB2 PRO 43 1HB PRO 43 -21.225 11.694 21.200
297 HB3 PRO 43 2HB PRO 43 -20.179 10.530 22.022
298 HG2 PRO 43 1HG PRO 43 -20.054 13.521 22.026
299 HG3 PRO 43 2HG PRO 43 -19.859 12.391 23.379
300 HD2 PRO 43 1HD PRO 43 -17.752 13.546 22.130
301 HD3 PRO 43 2HD PRO 43 -17.670 11.917 22.831
302 H SER 44 H SER 44 -18.299 13.435 19.115
303 HA SER 44 HA SER 44 -20.650 14.404 17.828
304 HB2 SER 44 1HB SER 44 -19.275 16.136 16.954
305 HB3 SER 44 2HB SER 44 -18.629 15.779 18.555
306 HG SER 44 HG SER 44 -16.975 15.927 16.987
307 H SER 45 H SER 45 -21.022 12.151 16.873
308 HA SER 45 HA SER 45 -19.465 11.293 14.665
309 HB2 SER 45 1HB SER 45 -20.957 9.779 15.924
310 HB3 SER 45 2HB SER 45 -22.356 10.662 15.315
311 HG SER 45 HG SER 45 -20.475 9.162 13.812
312 H GLY 46 H GLY 46 -20.997 10.844 12.541
313 HA2 GLY 46 1HA GLY 46 -22.067 13.476 11.743
314 HA3 GLY 46 2HA GLY 46 -20.919 12.623 10.722
Start of MODEL 16
1 H1 GLY 1 H GLY 1 8.207 14.160 0.400
2 HA2 GLY 1 1HA GLY 1 6.134 14.823 -0.328
3 HA3 GLY 1 2HA GLY 1 6.990 15.952 -1.368
4 H SER 2 H SER 2 5.316 15.605 -2.934
5 HA SER 2 HA SER 2 5.793 13.178 -4.521
6 HB2 SER 2 1HB SER 2 3.391 13.012 -5.020
7 HB3 SER 2 2HB SER 2 3.688 12.863 -3.288
8 HG SER 2 HG SER 2 3.094 15.368 -4.429
9 H SER 3 H SER 3 7.161 14.570 -5.779
10 HA SER 3 HA SER 3 5.647 16.397 -7.529
11 HB2 SER 3 1HB SER 3 8.556 16.586 -6.708
12 HB3 SER 3 2HB SER 3 7.741 17.669 -7.837
13 HG SER 3 HG SER 3 7.135 18.757 -6.159
14 H GLY 4 H GLY 4 5.182 14.624 -8.935
15 HA2 GLY 4 1HA GLY 4 5.560 13.262 -10.745
16 HA3 GLY 4 2HA GLY 4 6.852 14.388 -11.137
17 H SER 5 H SER 5 6.228 11.770 -8.795
18 HA SER 5 HA SER 5 8.705 11.032 -8.067
19 HB2 SER 5 1HB SER 5 6.601 9.854 -7.417
20 HB3 SER 5 2HB SER 5 6.620 9.035 -8.978
21 HG SER 5 HG SER 5 8.853 8.385 -8.268
22 H SER 6 H SER 6 10.541 10.524 -9.045
23 HA SER 6 HA SER 6 10.636 10.140 -11.889
24 HB2 SER 6 1HB SER 6 12.765 10.141 -9.745
25 HB3 SER 6 2HB SER 6 13.122 9.873 -11.451
26 HG SER 6 HG SER 6 13.053 12.155 -10.346
27 H GLY 7 H GLY 7 11.175 8.308 -13.029
28 HA2 GLY 7 1HA GLY 7 11.422 6.066 -13.474
29 HA3 GLY 7 2HA GLY 7 12.057 5.889 -11.845
30 H THR 8 H THR 8 10.908 4.692 -10.487
31 HA THR 8 HA THR 8 8.081 4.764 -10.306
32 HB THR 8 HB THR 8 8.313 3.431 -12.408
33 HG1 THR 8 HG1 THR 8 7.178 2.293 -10.070
34 HG21 THR 8 3HG2 THR 8 9.147 1.028 -10.926
35 HG22 THR 8 1HG2 THR 8 10.415 2.223 -11.192
36 HG23 THR 8 2HG2 THR 8 9.542 1.544 -12.565
37 H GLY 9 H GLY 9 7.471 4.073 -8.335
38 HA2 GLY 9 1HA GLY 9 9.517 2.724 -6.707
39 HA3 GLY 9 2HA GLY 9 8.196 3.698 -6.081
40 H GLU 10 H GLU 10 5.952 2.781 -6.710
41 HA GLU 10 HA GLU 10 4.412 1.137 -6.395
42 HB2 GLU 10 1HB GLU 10 5.739 0.305 -8.474
43 HB3 GLU 10 2HB GLU 10 6.407 -0.884 -7.365
44 HG2 GLU 10 1HG GLU 10 3.903 -1.336 -6.795
45 HG3 GLU 10 2HG GLU 10 3.617 -0.579 -8.360
46 H LYS 11 H LYS 11 5.479 1.779 -4.093
47 HA LYS 11 HA LYS 11 6.962 0.015 -2.604
48 HB2 LYS 11 1HB LYS 11 4.787 1.944 -1.944
49 HB3 LYS 11 2HB LYS 11 5.302 0.822 -0.691
50 HG2 LYS 11 1HG LYS 11 6.624 2.669 -0.294
51 HG3 LYS 11 2HG LYS 11 7.684 1.643 -1.263
52 HD2 LYS 11 1HD LYS 11 6.865 2.929 -3.282
53 HD3 LYS 11 2HD LYS 11 6.120 4.059 -2.150
54 HE2 LYS 11 1HE LYS 11 8.399 4.318 -1.099
55 HE3 LYS 11 2HE LYS 11 9.044 3.414 -2.468
56 HZ1 LYS 11 3HZ LYS 11 8.225 5.101 -3.957
57 HZ2 LYS 11 1HZ LYS 11 9.193 5.826 -2.774
58 HZ3 LYS 11 2HZ LYS 11 7.509 5.948 -2.679
59 HA PRO 12 HA PRO 12 4.417 -3.641 -2.692
60 HB2 PRO 12 1HB PRO 12 6.050 -5.150 -1.133
61 HB3 PRO 12 2HB PRO 12 6.384 -4.820 -2.837
62 HG2 PRO 12 1HG PRO 12 7.508 -3.500 -0.397
63 HG3 PRO 12 2HG PRO 12 8.341 -4.011 -1.877
64 HD2 PRO 12 1HD PRO 12 7.630 -1.438 -1.419
65 HD3 PRO 12 2HD PRO 12 7.672 -2.142 -3.048
66 H TYR 13 H TYR 13 5.097 -1.598 -0.093
67 HA TYR 13 HA TYR 13 3.080 -2.964 1.550
68 HB2 TYR 13 1HB TYR 13 5.491 -1.602 2.745
69 HB3 TYR 13 2HB TYR 13 4.315 -2.630 3.556
70 HD1 TYR 13 HD2 TYR 13 4.282 -5.091 3.025
71 HD2 TYR 13 HD1 TYR 13 7.409 -2.520 1.716
72 HE1 TYR 13 HE2 TYR 13 5.723 -7.048 2.643
73 HE2 TYR 13 HE1 TYR 13 8.858 -4.470 1.329
74 HH TYR 13 HH TYR 13 8.564 -7.257 2.581
75 H LYS 14 H LYS 14 1.403 -1.607 1.344
76 HA LYS 14 HA LYS 14 1.854 1.219 2.038
77 HB2 LYS 14 1HB LYS 14 1.424 1.210 -0.307
78 HB3 LYS 14 2HB LYS 14 0.095 0.072 -0.128
79 HG2 LYS 14 1HG LYS 14 -1.309 1.706 0.825
80 HG3 LYS 14 2HG LYS 14 0.035 2.821 1.079
81 HD2 LYS 14 1HD LYS 14 -0.921 3.723 -0.805
82 HD3 LYS 14 2HD LYS 14 0.269 2.638 -1.529
83 HE2 LYS 14 1HE LYS 14 -2.517 1.694 -0.971
84 HE3 LYS 14 2HE LYS 14 -2.164 2.632 -2.421
85 HZ1 LYS 14 3HZ LYS 14 -0.315 0.480 -1.995
86 HZ2 LYS 14 1HZ LYS 14 -1.191 0.892 -3.382
87 HZ3 LYS 14 2HZ LYS 14 -1.909 -0.056 -2.180
88 H CYS 15 H CYS 15 0.567 2.032 3.584
89 HA CYS 15 HA CYS 15 -0.902 0.460 5.298
90 HB2 CYS 15 1HB CYS 15 -0.132 3.028 5.349
91 HB3 CYS 15 2HB CYS 15 -1.831 3.262 4.953
92 H ASP 16 H ASP 16 -3.153 0.210 5.684
93 HA ASP 16 HA ASP 16 -4.768 0.381 3.228
94 HB2 ASP 16 1HB ASP 16 -4.217 -1.892 4.393
95 HB3 ASP 16 2HB ASP 16 -5.464 -1.404 5.537
96 H VAL 17 H VAL 17 -4.309 2.326 5.564
97 HA VAL 17 HA VAL 17 -7.166 2.839 6.068
98 HB VAL 17 HB VAL 17 -6.534 2.220 8.195
99 HG11 VAL 17 1HG1 VAL 17 -3.872 3.591 7.843
100 HG12 VAL 17 2HG1 VAL 17 -4.375 2.584 9.202
101 HG13 VAL 17 3HG1 VAL 17 -4.154 1.867 7.605
102 HG21 VAL 17 3HG2 VAL 17 -6.299 4.234 9.541
103 HG22 VAL 17 1HG2 VAL 17 -5.794 5.143 8.117
104 HG23 VAL 17 2HG2 VAL 17 -7.434 4.504 8.219
105 H CYS 18 H CYS 18 -3.925 4.176 5.691
106 HA CYS 18 HA CYS 18 -5.149 6.775 5.029
107 HB2 CYS 18 1HB CYS 18 -3.233 7.900 5.896
108 HB3 CYS 18 2HB CYS 18 -3.722 6.727 7.115
109 H HIS 19 H HIS 19 -3.635 4.126 3.771
110 HA HIS 19 HA HIS 19 -2.704 3.651 1.750
111 HB2 HIS 19 1HB HIS 19 -3.654 6.450 1.115
112 HB3 HIS 19 2HB HIS 19 -2.994 5.337 -0.079
113 HD2 HIS 19 HD2 HIS 19 -5.429 3.768 2.477
114 HE1 HIS 19 HE1 HIS 19 -7.535 4.300 -1.167
115 HE2 HIS 19 HE2 HIS 19 -7.619 3.354 1.165
116 H LYS 20 H LYS 20 -0.901 4.226 3.639
117 HA LYS 20 HA LYS 20 0.991 6.147 2.485
118 HB2 LYS 20 1HB LYS 20 0.565 4.993 5.191
119 HB3 LYS 20 2HB LYS 20 2.222 5.374 4.737
120 HG2 LYS 20 1HG LYS 20 0.072 7.412 4.365
121 HG3 LYS 20 2HG LYS 20 0.775 7.143 5.962
122 HD2 LYS 20 1HD LYS 20 2.459 7.662 3.524
123 HD3 LYS 20 2HD LYS 20 1.830 8.965 4.534
124 HE2 LYS 20 1HE LYS 20 2.938 7.897 6.489
125 HE3 LYS 20 2HE LYS 20 3.658 6.724 5.388
126 HZ1 LYS 20 3HZ LYS 20 5.315 8.173 5.191
127 HZ2 LYS 20 1HZ LYS 20 4.445 9.416 5.941
128 HZ3 LYS 20 2HZ LYS 20 4.266 9.140 4.282
129 H SER 21 H SER 21 2.223 5.257 0.953
130 HA SER 21 HA SER 21 2.850 2.507 0.787
131 HB2 SER 21 1HB SER 21 4.732 3.571 -0.796
132 HB3 SER 21 2HB SER 21 3.041 3.459 -1.287
133 HG SER 21 HG SER 21 4.304 5.714 -0.110
134 H PHE 22 H PHE 22 4.883 1.464 1.031
135 HA PHE 22 HA PHE 22 6.991 2.832 2.473
136 HB2 PHE 22 1HB PHE 22 5.445 0.544 3.705
137 HB3 PHE 22 2HB PHE 22 6.993 1.127 4.308
138 HD1 PHE 22 HD1 PHE 22 7.168 3.383 5.286
139 HD2 PHE 22 HD2 PHE 22 3.425 1.706 4.150
140 HE1 PHE 22 HE1 PHE 22 6.004 5.063 6.656
141 HE2 PHE 22 HE2 PHE 22 2.254 3.384 5.517
142 HZ PHE 22 HZ PHE 22 3.544 5.066 6.772
143 H ARG 23 H ARG 23 8.596 2.317 1.115
144 HA ARG 23 HA ARG 23 8.867 0.176 -0.551
145 HB2 ARG 23 1HB ARG 23 10.410 2.282 -0.055
146 HB3 ARG 23 2HB ARG 23 11.330 1.090 0.855
147 HG2 ARG 23 1HG ARG 23 10.540 0.624 -1.999
148 HG3 ARG 23 2HG ARG 23 12.000 1.516 -1.566
149 HD2 ARG 23 1HD ARG 23 12.544 -0.521 -0.088
150 HD3 ARG 23 2HD ARG 23 11.318 -1.357 -1.042
151 HE ARG 23 HE ARG 23 13.968 -0.750 -1.847
152 HH11 ARG 23 1HH1 ARG 23 10.705 -0.966 -3.041
153 HH12 ARG 23 2HH1 ARG 23 11.184 -1.324 -4.666
154 HH21 ARG 23 1HH2 ARG 23 14.612 -1.221 -3.984
155 HH22 ARG 23 2HH2 ARG 23 13.407 -1.470 -5.202
156 H TYR 24 H TYR 24 9.251 0.220 2.889
157 HA TYR 24 HA TYR 24 10.103 -2.601 2.814
158 HB2 TYR 24 1HB TYR 24 10.713 -0.473 4.872
159 HB3 TYR 24 2HB TYR 24 11.061 -2.183 5.096
160 HD1 TYR 24 HD2 TYR 24 11.750 0.638 2.756
161 HD2 TYR 24 HD1 TYR 24 13.119 -3.026 4.430
162 HE1 TYR 24 HE2 TYR 24 13.914 0.936 1.625
163 HE2 TYR 24 HE1 TYR 24 15.287 -2.738 3.304
164 HH TYR 24 HH TYR 24 16.617 -1.218 2.231
165 H GLY 25 H GLY 25 9.025 -4.070 4.085
166 HA2 GLY 25 1HA GLY 25 6.327 -3.516 4.717
167 HA3 GLY 25 2HA GLY 25 7.208 -4.971 5.160
168 H SER 26 H SER 26 9.165 -3.990 6.806
169 HA SER 26 HA SER 26 7.908 -3.834 9.268
170 HB2 SER 26 1HB SER 26 10.643 -2.732 8.580
171 HB3 SER 26 2HB SER 26 10.076 -3.192 10.185
172 HG SER 26 HG SER 26 10.853 -4.790 8.038
173 H SER 27 H SER 27 9.111 -1.213 7.213
174 HA SER 27 HA SER 27 8.709 0.929 8.930
175 HB2 SER 27 1HB SER 27 8.311 0.914 5.928
176 HB3 SER 27 2HB SER 27 8.622 2.332 6.930
177 HG SER 27 HG SER 27 10.581 1.763 6.159
178 H LEU 28 H LEU 28 6.442 -0.478 6.579
179 HA LEU 28 HA LEU 28 4.298 1.215 6.908
180 HB2 LEU 28 1HB LEU 28 4.173 -0.422 5.224
181 HB3 LEU 28 2HB LEU 28 4.433 -1.735 6.370
182 HG LEU 28 HG LEU 28 2.191 -1.351 7.299
183 HD11 LEU 28 1HD1 LEU 28 0.841 0.357 6.731
184 HD12 LEU 28 2HD1 LEU 28 1.365 0.355 5.047
185 HD13 LEU 28 3HD1 LEU 28 2.356 1.138 6.278
186 HD21 LEU 28 3HD2 LEU 28 2.039 -3.030 5.767
187 HD22 LEU 28 1HD2 LEU 28 2.643 -2.031 4.445
188 HD23 LEU 28 2HD2 LEU 28 0.977 -1.850 4.997
189 H THR 29 H THR 29 4.628 -1.919 8.585
190 HA THR 29 HA THR 29 2.553 -1.655 10.368
191 HB THR 29 HB THR 29 5.225 -2.982 10.865
192 HG1 THR 29 HG1 THR 29 4.156 -3.903 9.113
193 HG21 THR 29 3HG2 THR 29 2.652 -3.707 12.223
194 HG22 THR 29 1HG2 THR 29 3.693 -2.445 12.882
195 HG23 THR 29 2HG2 THR 29 4.307 -4.089 12.699
196 H VAL 30 H VAL 30 5.963 -0.824 11.023
197 HA VAL 30 HA VAL 30 5.684 0.226 13.552
198 HB VAL 30 HB VAL 30 7.520 1.219 11.367
199 HG11 VAL 30 1HG1 VAL 30 7.407 2.871 13.101
200 HG12 VAL 30 2HG1 VAL 30 7.587 1.639 14.351
201 HG13 VAL 30 3HG1 VAL 30 8.930 1.998 13.266
202 HG21 VAL 30 3HG2 VAL 30 8.564 -0.728 11.604
203 HG22 VAL 30 1HG2 VAL 30 8.899 -0.304 13.283
204 HG23 VAL 30 2HG2 VAL 30 7.445 -1.217 12.877
205 H HIS 31 H HIS 31 4.553 1.520 10.574
206 HA HIS 31 HA HIS 31 4.223 4.207 11.644
207 HB2 HIS 31 1HB HIS 31 4.723 4.480 9.433
208 HB3 HIS 31 2HB HIS 31 4.008 2.938 8.971
209 HD1 HIS 31 HD1 HIS 31 3.308 6.548 9.162
210 HD2 HIS 31 HD2 HIS 31 1.161 3.036 8.598
211 HE1 HIS 31 HE1 HIS 31 1.071 7.264 8.265
212 H GLN 32 H GLN 32 2.208 1.505 10.536
213 HA GLN 32 HA GLN 32 -0.296 2.628 10.842
214 HB2 GLN 32 1HB GLN 32 0.436 -0.223 11.522
215 HB3 GLN 32 2HB GLN 32 -1.152 0.373 11.059
216 HG2 GLN 32 1HG GLN 32 -0.101 1.060 8.862
217 HG3 GLN 32 2HG GLN 32 1.299 0.108 9.351
218 HE21 GLN 32 1HE2 GLN 32 -2.148 -0.041 8.681
219 HE22 GLN 32 2HE2 GLN 32 -2.181 -1.714 8.252
220 H ARG 33 H ARG 33 2.016 2.020 13.237
221 HA ARG 33 HA ARG 33 0.614 1.314 15.486
222 HB2 ARG 33 1HB ARG 33 2.812 3.382 15.303
223 HB3 ARG 33 2HB ARG 33 2.294 2.575 16.776
224 HG2 ARG 33 1HG ARG 33 2.966 0.415 15.790
225 HG3 ARG 33 2HG ARG 33 3.566 1.281 14.374
226 HD2 ARG 33 1HD ARG 33 5.361 2.143 15.491
227 HD3 ARG 33 2HD ARG 33 4.527 2.154 17.044
228 HE ARG 33 HE ARG 33 6.029 -0.034 15.882
229 HH11 ARG 33 1HH1 ARG 33 3.759 0.993 18.312
230 HH12 ARG 33 2HH1 ARG 33 4.061 -0.359 19.352
231 HH21 ARG 33 1HH2 ARG 33 6.436 -1.819 17.242
232 HH22 ARG 33 2HH2 ARG 33 5.584 -1.958 18.743
233 H ILE 34 H ILE 34 0.739 4.451 13.902
234 HA ILE 34 HA ILE 34 -0.599 5.898 15.944
235 HB ILE 34 HB ILE 34 -0.612 7.712 14.515
236 HG12 ILE 34 1HG1 ILE 34 -2.028 6.549 12.792
237 HG13 ILE 34 2HG1 ILE 34 -0.818 7.640 12.126
238 HG21 ILE 34 1HG2 ILE 34 1.524 6.134 13.125
239 HG22 ILE 34 2HG2 ILE 34 1.520 7.837 13.578
240 HG23 ILE 34 3HG2 ILE 34 1.679 6.595 14.820
241 HD11 ILE 34 3HD1 ILE 34 -0.349 4.690 12.386
242 HD12 ILE 34 1HD1 ILE 34 -1.114 5.413 10.971
243 HD13 ILE 34 2HD1 ILE 34 0.535 5.862 11.408
244 H HIS 35 H HIS 35 -1.670 3.831 13.382
245 HA HIS 35 HA HIS 35 -4.391 4.783 13.399
246 HB2 HIS 35 1HB HIS 35 -3.103 2.358 12.133
247 HB3 HIS 35 2HB HIS 35 -4.800 2.785 11.936
248 HD1 HIS 35 HD1 HIS 35 -4.705 5.715 11.321
249 HD2 HIS 35 HD2 HIS 35 -1.939 3.020 9.788
250 HE1 HIS 35 HE1 HIS 35 -3.773 6.808 9.256
251 H THR 36 H THR 36 -2.525 2.595 15.236
252 HA THR 36 HA THR 36 -4.963 1.360 16.338
253 HB THR 36 HB THR 36 -3.358 -0.249 15.346
254 HG1 THR 36 HG1 THR 36 -4.440 -1.270 16.897
255 HG21 THR 36 3HG2 THR 36 -1.505 1.194 17.131
256 HG22 THR 36 1HG2 THR 36 -1.195 0.364 15.607
257 HG23 THR 36 2HG2 THR 36 -1.329 -0.560 17.103
258 H GLY 37 H GLY 37 -4.836 0.815 18.683
259 HA2 GLY 37 1HA GLY 37 -4.418 1.356 20.886
260 HA3 GLY 37 2HA GLY 37 -2.970 2.197 20.352
261 H GLU 38 H GLU 38 -5.283 2.840 22.244
262 HA GLU 38 HA GLU 38 -6.025 5.429 21.051
263 HB2 GLU 38 1HB GLU 38 -7.430 3.817 23.187
264 HB3 GLU 38 2HB GLU 38 -7.917 5.424 22.668
265 HG2 GLU 38 1HG GLU 38 -8.606 4.676 20.576
266 HG3 GLU 38 2HG GLU 38 -7.691 3.176 20.708
267 H LYS 39 H LYS 39 -4.071 6.420 21.720
268 HA LYS 39 HA LYS 39 -4.017 7.044 24.595
269 HB2 LYS 39 1HB LYS 39 -1.590 7.047 24.571
270 HB3 LYS 39 2HB LYS 39 -2.186 5.483 24.033
271 HG2 LYS 39 1HG LYS 39 -1.923 6.531 21.654
272 HG3 LYS 39 2HG LYS 39 -0.814 7.625 22.484
273 HD2 LYS 39 1HD LYS 39 -0.550 4.690 22.936
274 HD3 LYS 39 2HD LYS 39 0.041 5.374 21.420
275 HE2 LYS 39 1HE LYS 39 1.894 5.411 22.856
276 HE3 LYS 39 2HE LYS 39 1.286 7.066 22.866
277 HZ1 LYS 39 3HZ LYS 39 1.801 5.587 25.064
278 HZ2 LYS 39 1HZ LYS 39 0.128 5.392 24.901
279 HZ3 LYS 39 2HZ LYS 39 0.790 6.943 25.025
280 HA PRO 40 HA PRO 40 -4.030 11.271 23.398
281 HB2 PRO 40 1HB PRO 40 -2.674 12.382 25.471
282 HB3 PRO 40 2HB PRO 40 -4.323 11.766 25.623
283 HG2 PRO 40 1HG PRO 40 -1.738 10.466 26.389
284 HG3 PRO 40 2HG PRO 40 -3.271 10.518 27.279
285 HD2 PRO 40 1HD PRO 40 -2.494 8.359 25.841
286 HD3 PRO 40 2HD PRO 40 -4.199 8.817 26.030
287 H SER 41 H SER 41 -2.865 12.381 21.964
288 HA SER 41 HA SER 41 0.070 12.120 22.038
289 HB2 SER 41 1HB SER 41 -1.778 12.346 19.654
290 HB3 SER 41 2HB SER 41 -0.024 12.497 19.549
291 HG SER 41 HG SER 41 -1.001 10.259 20.871
292 H GLY 42 H GLY 42 1.298 13.954 21.310
293 HA2 GLY 42 1HA GLY 42 0.682 16.355 22.461
294 HA3 GLY 42 2HA GLY 42 1.760 16.200 21.082
295 HA PRO 43 HA PRO 43 -2.666 17.909 19.984
296 HB2 PRO 43 1HB PRO 43 -2.877 20.298 21.256
297 HB3 PRO 43 2HB PRO 43 -3.497 18.789 21.937
298 HG2 PRO 43 1HG PRO 43 -0.939 20.226 22.531
299 HG3 PRO 43 2HG PRO 43 -2.076 19.455 23.653
300 HD2 PRO 43 1HD PRO 43 0.226 18.266 22.866
301 HD3 PRO 43 2HD PRO 43 -1.244 17.345 23.244
302 H SER 44 H SER 44 -3.099 20.223 19.006
303 HA SER 44 HA SER 44 -0.885 21.829 18.283
304 HB2 SER 44 1HB SER 44 -0.637 21.213 15.941
305 HB3 SER 44 2HB SER 44 -0.319 19.805 16.955
306 HG SER 44 HG SER 44 -2.874 20.311 15.860
307 H SER 45 H SER 45 -1.496 23.665 17.140
308 HA SER 45 HA SER 45 -4.384 24.084 17.004
309 HB2 SER 45 1HB SER 45 -2.124 26.088 16.790
310 HB3 SER 45 2HB SER 45 -3.842 26.472 16.898
311 HG SER 45 HG SER 45 -3.465 24.971 18.934
312 H GLY 46 H GLY 46 -1.509 24.760 15.001
313 HA2 GLY 46 1HA GLY 46 -1.380 24.232 12.686
314 HA3 GLY 46 2HA GLY 46 -3.136 24.220 12.620
Start of MODEL 17
1 H1 GLY 1 H GLY 1 2.830 21.896 -12.123
2 HA2 GLY 1 1HA GLY 1 5.117 22.590 -10.694
3 HA3 GLY 1 2HA GLY 1 4.723 20.961 -11.225
4 H SER 2 H SER 2 5.564 20.192 -13.197
5 HA SER 2 HA SER 2 7.146 19.928 -14.812
6 HB2 SER 2 1HB SER 2 6.115 22.293 -15.403
7 HB3 SER 2 2HB SER 2 7.709 22.863 -14.907
8 HG SER 2 HG SER 2 8.171 22.381 -16.914
9 H SER 3 H SER 3 7.955 19.655 -12.170
10 HA SER 3 HA SER 3 10.676 20.785 -12.200
11 HB2 SER 3 1HB SER 3 8.909 19.977 -9.886
12 HB3 SER 3 2HB SER 3 10.632 20.306 -9.708
13 HG SER 3 HG SER 3 9.064 22.104 -9.354
14 H GLY 4 H GLY 4 8.914 17.938 -10.952
15 HA2 GLY 4 1HA GLY 4 11.188 16.284 -11.856
16 HA3 GLY 4 2HA GLY 4 10.459 16.048 -10.274
17 H SER 5 H SER 5 10.602 14.769 -13.246
18 HA SER 5 HA SER 5 8.214 14.256 -14.324
19 HB2 SER 5 1HB SER 5 8.969 11.982 -14.862
20 HB3 SER 5 2HB SER 5 10.289 13.138 -15.041
21 HG SER 5 HG SER 5 10.797 12.484 -12.770
22 H SER 6 H SER 6 6.421 12.945 -13.987
23 HA SER 6 HA SER 6 5.169 12.861 -11.630
24 HB2 SER 6 1HB SER 6 5.110 10.685 -13.731
25 HB3 SER 6 2HB SER 6 3.943 10.819 -12.415
26 HG SER 6 HG SER 6 2.928 12.219 -13.589
27 H GLY 7 H GLY 7 5.712 12.178 -9.673
28 HA2 GLY 7 1HA GLY 7 7.501 9.850 -9.439
29 HA3 GLY 7 2HA GLY 7 7.315 11.110 -8.229
30 H THR 8 H THR 8 5.644 8.411 -9.790
31 HA THR 8 HA THR 8 3.549 8.327 -7.833
32 HB THR 8 HB THR 8 2.983 6.128 -8.900
33 HG1 THR 8 HG1 THR 8 4.675 6.594 -11.030
34 HG21 THR 8 3HG2 THR 8 2.566 7.196 -11.222
35 HG22 THR 8 1HG2 THR 8 3.258 8.649 -10.501
36 HG23 THR 8 2HG2 THR 8 1.808 7.924 -9.806
37 H GLY 9 H GLY 9 6.348 6.236 -8.558
38 HA2 GLY 9 1HA GLY 9 7.683 5.048 -7.083
39 HA3 GLY 9 2HA GLY 9 6.720 5.678 -5.756
40 H GLU 10 H GLU 10 7.630 3.024 -5.900
41 HA GLU 10 HA GLU 10 5.052 1.636 -5.927
42 HB2 GLU 10 1HB GLU 10 6.256 -0.370 -6.941
43 HB3 GLU 10 2HB GLU 10 5.883 0.962 -8.026
44 HG2 GLU 10 1HG GLU 10 8.142 1.728 -7.978
45 HG3 GLU 10 2HG GLU 10 8.557 0.578 -6.707
46 H LYS 11 H LYS 11 4.745 0.650 -4.053
47 HA LYS 11 HA LYS 11 7.047 -0.489 -2.635
48 HB2 LYS 11 1HB LYS 11 4.952 1.326 -1.434
49 HB3 LYS 11 2HB LYS 11 6.071 0.358 -0.483
50 HG2 LYS 11 1HG LYS 11 7.093 2.425 -0.523
51 HG3 LYS 11 2HG LYS 11 7.907 1.571 -1.836
52 HD2 LYS 11 1HD LYS 11 5.902 2.643 -3.230
53 HD3 LYS 11 2HD LYS 11 5.993 3.836 -1.932
54 HE2 LYS 11 1HE LYS 11 8.503 2.972 -3.290
55 HE3 LYS 11 2HE LYS 11 7.429 4.101 -4.115
56 HZ1 LYS 11 3HZ LYS 11 9.166 5.203 -2.789
57 HZ2 LYS 11 1HZ LYS 11 8.522 4.512 -1.385
58 HZ3 LYS 11 2HZ LYS 11 7.605 5.615 -2.282
59 HA PRO 12 HA PRO 12 4.253 -3.936 -2.502
60 HB2 PRO 12 1HB PRO 12 5.819 -5.543 -0.973
61 HB3 PRO 12 2HB PRO 12 6.126 -5.254 -2.690
62 HG2 PRO 12 1HG PRO 12 7.413 -3.995 -0.298
63 HG3 PRO 12 2HG PRO 12 8.163 -4.578 -1.795
64 HD2 PRO 12 1HD PRO 12 7.652 -1.957 -1.347
65 HD3 PRO 12 2HD PRO 12 7.595 -2.677 -2.968
66 H TYR 13 H TYR 13 4.900 -1.787 -0.087
67 HA TYR 13 HA TYR 13 2.966 -3.078 1.697
68 HB2 TYR 13 1HB TYR 13 5.440 -1.710 2.755
69 HB3 TYR 13 2HB TYR 13 4.252 -2.639 3.662
70 HD1 TYR 13 HD2 TYR 13 4.129 -5.124 3.321
71 HD2 TYR 13 HD1 TYR 13 7.286 -2.766 1.715
72 HE1 TYR 13 HE2 TYR 13 5.489 -7.152 3.033
73 HE2 TYR 13 HE1 TYR 13 8.655 -4.788 1.421
74 HH TYR 13 HH TYR 13 8.339 -7.451 2.879
75 H LYS 14 H LYS 14 1.301 -1.711 1.494
76 HA LYS 14 HA LYS 14 1.794 1.128 2.082
77 HB2 LYS 14 1HB LYS 14 1.395 1.166 -0.238
78 HB3 LYS 14 2HB LYS 14 0.139 -0.060 -0.130
79 HG2 LYS 14 1HG LYS 14 -1.387 1.483 0.855
80 HG3 LYS 14 2HG LYS 14 -0.122 2.701 1.035
81 HD2 LYS 14 1HD LYS 14 -1.201 3.436 -0.866
82 HD3 LYS 14 2HD LYS 14 0.090 2.450 -1.556
83 HE2 LYS 14 1HE LYS 14 -1.741 0.552 -1.334
84 HE3 LYS 14 2HE LYS 14 -2.836 1.932 -1.406
85 HZ1 LYS 14 3HZ LYS 14 -0.861 2.182 -3.403
86 HZ2 LYS 14 1HZ LYS 14 -2.539 2.047 -3.582
87 HZ3 LYS 14 2HZ LYS 14 -1.579 0.655 -3.524
88 H CYS 15 H CYS 15 0.542 1.954 3.638
89 HA CYS 15 HA CYS 15 -1.003 0.452 5.333
90 HB2 CYS 15 1HB CYS 15 -0.177 3.010 5.350
91 HB3 CYS 15 2HB CYS 15 -1.873 3.264 4.951
92 H ASP 16 H ASP 16 -3.264 0.260 5.690
93 HA ASP 16 HA ASP 16 -4.845 0.457 3.213
94 HB2 ASP 16 1HB ASP 16 -5.063 -1.466 5.534
95 HB3 ASP 16 2HB ASP 16 -6.263 -1.347 4.250
96 H VAL 17 H VAL 17 -4.375 2.349 5.613
97 HA VAL 17 HA VAL 17 -7.230 2.901 6.092
98 HB VAL 17 HB VAL 17 -6.620 2.308 8.224
99 HG11 VAL 17 1HG1 VAL 17 -3.905 3.559 7.821
100 HG12 VAL 17 2HG1 VAL 17 -4.437 2.622 9.219
101 HG13 VAL 17 3HG1 VAL 17 -4.267 1.842 7.645
102 HG21 VAL 17 3HG2 VAL 17 -7.439 4.608 8.263
103 HG22 VAL 17 1HG2 VAL 17 -6.264 4.332 9.550
104 HG23 VAL 17 2HG2 VAL 17 -5.788 5.206 8.094
105 H CYS 18 H CYS 18 -3.992 4.201 5.642
106 HA CYS 18 HA CYS 18 -5.197 6.818 5.019
107 HB2 CYS 18 1HB CYS 18 -3.223 7.912 5.816
108 HB3 CYS 18 2HB CYS 18 -3.727 6.774 7.061
109 H HIS 19 H HIS 19 -3.595 4.152 3.791
110 HA HIS 19 HA HIS 19 -2.800 3.668 1.710
111 HB2 HIS 19 1HB HIS 19 -3.448 6.528 0.978
112 HB3 HIS 19 2HB HIS 19 -3.210 5.177 -0.127
113 HD2 HIS 19 HD2 HIS 19 -5.476 4.261 2.816
114 HE1 HIS 19 HE1 HIS 19 -8.005 5.205 -0.457
115 HE2 HIS 19 HE2 HIS 19 -7.892 4.306 1.893
116 H LYS 20 H LYS 20 -1.012 4.355 3.697
117 HA LYS 20 HA LYS 20 0.949 6.143 2.474
118 HB2 LYS 20 1HB LYS 20 0.508 5.028 5.195
119 HB3 LYS 20 2HB LYS 20 2.168 5.374 4.730
120 HG2 LYS 20 1HG LYS 20 0.010 7.425 4.411
121 HG3 LYS 20 2HG LYS 20 0.839 7.191 5.951
122 HD2 LYS 20 1HD LYS 20 2.315 7.659 3.371
123 HD3 LYS 20 2HD LYS 20 1.778 8.981 4.411
124 HE2 LYS 20 1HE LYS 20 3.010 7.715 6.285
125 HE3 LYS 20 2HE LYS 20 3.796 6.835 4.976
126 HZ1 LYS 20 3HZ LYS 20 4.960 8.891 5.864
127 HZ2 LYS 20 1HZ LYS 20 3.773 9.790 5.059
128 HZ3 LYS 20 2HZ LYS 20 4.800 8.769 4.185
129 H SER 21 H SER 21 2.072 5.155 0.904
130 HA SER 21 HA SER 21 2.662 2.395 0.825
131 HB2 SER 21 1HB SER 21 4.388 4.354 -0.629
132 HB3 SER 21 2HB SER 21 3.709 2.826 -1.189
133 HG SER 21 HG SER 21 1.822 3.796 -1.609
134 H PHE 22 H PHE 22 4.749 1.372 0.951
135 HA PHE 22 HA PHE 22 6.889 2.755 2.318
136 HB2 PHE 22 1HB PHE 22 5.395 0.484 3.642
137 HB3 PHE 22 2HB PHE 22 6.956 1.092 4.184
138 HD1 PHE 22 HD1 PHE 22 7.142 3.354 5.132
139 HD2 PHE 22 HD2 PHE 22 3.378 1.652 4.108
140 HE1 PHE 22 HE1 PHE 22 6.006 5.051 6.504
141 HE2 PHE 22 HE2 PHE 22 2.235 3.347 5.477
142 HZ PHE 22 HZ PHE 22 3.549 5.050 6.677
143 H ARG 23 H ARG 23 8.498 2.203 0.992
144 HA ARG 23 HA ARG 23 8.731 0.098 -0.708
145 HB2 ARG 23 1HB ARG 23 10.330 2.116 -0.221
146 HB3 ARG 23 2HB ARG 23 11.167 0.960 0.807
147 HG2 ARG 23 1HG ARG 23 10.535 0.217 -2.009
148 HG3 ARG 23 2HG ARG 23 11.890 1.297 -1.674
149 HD2 ARG 23 1HD ARG 23 13.060 -0.322 -0.505
150 HD3 ARG 23 2HD ARG 23 11.608 -1.259 -0.153
151 HE ARG 23 HE ARG 23 11.805 -2.301 -2.202
152 HH11 ARG 23 1HH1 ARG 23 14.057 0.345 -1.978
153 HH12 ARG 23 2HH1 ARG 23 14.936 -0.112 -3.400
154 HH21 ARG 23 1HH2 ARG 23 12.954 -2.912 -4.075
155 HH22 ARG 23 2HH2 ARG 23 14.307 -1.964 -4.592
156 H TYR 24 H TYR 24 9.327 0.087 2.745
157 HA TYR 24 HA TYR 24 9.930 -2.793 2.593
158 HB2 TYR 24 1HB TYR 24 10.708 -0.790 4.722
159 HB3 TYR 24 2HB TYR 24 11.040 -2.517 4.793
160 HD1 TYR 24 HD2 TYR 24 11.704 0.524 2.753
161 HD2 TYR 24 HD1 TYR 24 12.997 -3.378 3.851
162 HE1 TYR 24 HE2 TYR 24 13.811 0.887 1.537
163 HE2 TYR 24 HE1 TYR 24 15.108 -3.026 2.638
164 HH TYR 24 HH TYR 24 16.451 -1.407 1.712
165 H GLY 25 H GLY 25 9.024 -4.168 4.216
166 HA2 GLY 25 1HA GLY 25 6.302 -3.521 4.820
167 HA3 GLY 25 2HA GLY 25 7.148 -4.994 5.273
168 H SER 26 H SER 26 9.260 -3.801 6.736
169 HA SER 26 HA SER 26 8.140 -3.658 9.280
170 HB2 SER 26 1HB SER 26 10.804 -2.720 8.214
171 HB3 SER 26 2HB SER 26 10.386 -2.627 9.925
172 HG SER 26 HG SER 26 10.243 -4.831 10.006
173 H SER 27 H SER 27 9.120 -1.055 7.086
174 HA SER 27 HA SER 27 8.708 1.114 8.780
175 HB2 SER 27 1HB SER 27 8.327 0.923 5.783
176 HB3 SER 27 2HB SER 27 8.379 2.436 6.687
177 HG SER 27 HG SER 27 10.429 0.659 6.061
178 H LEU 28 H LEU 28 6.425 -0.394 6.503
179 HA LEU 28 HA LEU 28 4.231 1.213 6.873
180 HB2 LEU 28 1HB LEU 28 4.138 -0.482 5.232
181 HB3 LEU 28 2HB LEU 28 4.438 -1.750 6.419
182 HG LEU 28 HG LEU 28 2.204 -1.394 7.359
183 HD11 LEU 28 1HD1 LEU 28 1.116 0.160 5.186
184 HD12 LEU 28 2HD1 LEU 28 2.351 1.063 6.063
185 HD13 LEU 28 3HD1 LEU 28 0.966 0.397 6.928
186 HD21 LEU 28 3HD2 LEU 28 2.174 -3.106 5.811
187 HD22 LEU 28 1HD2 LEU 28 2.539 -2.034 4.459
188 HD23 LEU 28 2HD2 LEU 28 0.930 -2.026 5.181
189 H THR 29 H THR 29 4.645 -1.895 8.577
190 HA THR 29 HA THR 29 2.642 -1.630 10.429
191 HB THR 29 HB THR 29 5.351 -2.900 10.877
192 HG1 THR 29 HG1 THR 29 4.046 -3.713 9.096
193 HG21 THR 29 3HG2 THR 29 2.879 -3.797 12.275
194 HG22 THR 29 1HG2 THR 29 3.702 -2.358 12.874
195 HG23 THR 29 2HG2 THR 29 4.564 -3.894 12.787
196 H VAL 30 H VAL 30 6.050 -0.698 10.929
197 HA VAL 30 HA VAL 30 5.829 0.380 13.461
198 HB VAL 30 HB VAL 30 7.594 1.342 11.204
199 HG11 VAL 30 1HG1 VAL 30 9.037 2.211 13.026
200 HG12 VAL 30 2HG1 VAL 30 7.483 3.038 12.907
201 HG13 VAL 30 3HG1 VAL 30 7.751 1.840 14.174
202 HG21 VAL 30 3HG2 VAL 30 8.952 -0.147 13.227
203 HG22 VAL 30 1HG2 VAL 30 7.570 -1.081 12.652
204 HG23 VAL 30 2HG2 VAL 30 8.785 -0.508 11.509
205 H HIS 31 H HIS 31 4.550 1.572 10.516
206 HA HIS 31 HA HIS 31 4.218 4.281 11.547
207 HB2 HIS 31 1HB HIS 31 4.698 4.525 9.324
208 HB3 HIS 31 2HB HIS 31 3.973 2.981 8.887
209 HD1 HIS 31 HD1 HIS 31 3.274 6.594 9.082
210 HD2 HIS 31 HD2 HIS 31 1.128 3.077 8.542
211 HE1 HIS 31 HE1 HIS 31 1.024 7.306 8.212
212 H GLN 32 H GLN 32 2.242 1.531 10.493
213 HA GLN 32 HA GLN 32 -0.279 2.621 10.831
214 HB2 GLN 32 1HB GLN 32 0.511 -0.223 11.476
215 HB3 GLN 32 2HB GLN 32 -1.097 0.350 11.053
216 HG2 GLN 32 1HG GLN 32 -0.119 1.066 8.838
217 HG3 GLN 32 2HG GLN 32 1.322 0.154 9.287
218 HE21 GLN 32 1HE2 GLN 32 -1.994 -0.016 8.318
219 HE22 GLN 32 2HE2 GLN 32 -2.041 -1.718 8.028
220 H ARG 33 H ARG 33 2.080 2.065 13.183
221 HA ARG 33 HA ARG 33 0.734 1.308 15.453
222 HB2 ARG 33 1HB ARG 33 2.888 3.417 15.219
223 HB3 ARG 33 2HB ARG 33 2.398 2.637 16.717
224 HG2 ARG 33 1HG ARG 33 2.977 0.443 15.431
225 HG3 ARG 33 2HG ARG 33 3.931 1.527 14.416
226 HD2 ARG 33 1HD ARG 33 4.195 1.723 17.377
227 HD3 ARG 33 2HD ARG 33 4.971 0.377 16.544
228 HE ARG 33 HE ARG 33 6.467 1.853 15.585
229 HH11 ARG 33 1HH1 ARG 33 3.948 3.590 17.247
230 HH12 ARG 33 2HH1 ARG 33 4.764 5.116 17.161
231 HH21 ARG 33 1HH2 ARG 33 7.551 3.857 15.466
232 HH22 ARG 33 2HH2 ARG 33 6.813 5.267 16.147
233 H ILE 34 H ILE 34 0.733 4.443 13.866
234 HA ILE 34 HA ILE 34 -0.615 5.840 15.946
235 HB ILE 34 HB ILE 34 -0.671 7.673 14.544
236 HG12 ILE 34 1HG1 ILE 34 -2.072 6.505 12.811
237 HG13 ILE 34 2HG1 ILE 34 -0.891 7.634 12.156
238 HG21 ILE 34 1HG2 ILE 34 1.446 7.834 13.519
239 HG22 ILE 34 2HG2 ILE 34 1.642 6.685 14.841
240 HG23 ILE 34 3HG2 ILE 34 1.500 6.104 13.181
241 HD11 ILE 34 3HD1 ILE 34 0.511 5.891 11.423
242 HD12 ILE 34 1HD1 ILE 34 -0.373 4.686 12.360
243 HD13 ILE 34 2HD1 ILE 34 -1.128 5.438 10.953
244 H HIS 35 H HIS 35 -1.643 3.774 13.370
245 HA HIS 35 HA HIS 35 -4.384 4.665 13.392
246 HB2 HIS 35 1HB HIS 35 -3.044 2.275 12.114
247 HB3 HIS 35 2HB HIS 35 -4.750 2.667 11.918
248 HD1 HIS 35 HD1 HIS 35 -4.697 5.613 11.333
249 HD2 HIS 35 HD2 HIS 35 -1.913 2.962 9.758
250 HE1 HIS 35 HE1 HIS 35 -3.792 6.734 9.271
251 H THR 36 H THR 36 -2.469 2.502 15.212
252 HA THR 36 HA THR 36 -4.886 1.236 16.329
253 HB THR 36 HB THR 36 -3.492 -0.468 15.390
254 HG1 THR 36 HG1 THR 36 -3.415 -1.709 17.163
255 HG21 THR 36 3HG2 THR 36 -1.340 1.203 16.430
256 HG22 THR 36 1HG2 THR 36 -1.326 0.037 15.109
257 HG23 THR 36 2HG2 THR 36 -1.109 -0.511 16.771
258 H GLY 37 H GLY 37 -5.360 1.585 18.412
259 HA2 GLY 37 1HA GLY 37 -5.077 2.121 20.644
260 HA3 GLY 37 2HA GLY 37 -3.341 2.171 20.373
261 H GLU 38 H GLU 38 -5.958 3.992 21.197
262 HA GLU 38 HA GLU 38 -4.475 6.445 20.924
263 HB2 GLU 38 1HB GLU 38 -5.733 6.060 18.713
264 HB3 GLU 38 2HB GLU 38 -7.193 6.390 19.636
265 HG2 GLU 38 1HG GLU 38 -6.700 8.600 19.901
266 HG3 GLU 38 2HG GLU 38 -4.960 8.338 19.803
267 H LYS 39 H LYS 39 -6.023 8.341 21.669
268 HA LYS 39 HA LYS 39 -7.413 7.358 24.071
269 HB2 LYS 39 1HB LYS 39 -6.237 10.105 23.623
270 HB3 LYS 39 2HB LYS 39 -6.877 9.462 25.130
271 HG2 LYS 39 1HG LYS 39 -4.516 8.251 23.722
272 HG3 LYS 39 2HG LYS 39 -4.366 9.539 24.920
273 HD2 LYS 39 1HD LYS 39 -5.942 7.097 25.598
274 HD3 LYS 39 2HD LYS 39 -4.178 7.017 25.627
275 HE2 LYS 39 1HE LYS 39 -4.556 7.665 27.779
276 HE3 LYS 39 2HE LYS 39 -4.467 9.252 27.016
277 HZ1 LYS 39 3HZ LYS 39 -6.670 7.995 28.325
278 HZ2 LYS 39 1HZ LYS 39 -7.088 8.517 26.771
279 HZ3 LYS 39 2HZ LYS 39 -6.460 9.617 27.891
280 HA PRO 40 HA PRO 40 -11.211 8.934 22.501
281 HB2 PRO 40 1HB PRO 40 -12.544 9.261 24.844
282 HB3 PRO 40 2HB PRO 40 -12.233 7.674 24.128
283 HG2 PRO 40 1HG PRO 40 -10.765 9.082 26.324
284 HG3 PRO 40 2HG PRO 40 -11.246 7.379 26.213
285 HD2 PRO 40 1HD PRO 40 -8.727 8.218 25.681
286 HD3 PRO 40 2HD PRO 40 -9.468 6.835 24.851
287 H SER 41 H SER 41 -8.969 10.764 24.104
288 HA SER 41 HA SER 41 -10.015 13.008 25.119
289 HB2 SER 41 1HB SER 41 -7.658 12.921 24.864
290 HB3 SER 41 2HB SER 41 -7.776 12.749 23.113
291 HG SER 41 HG SER 41 -7.469 14.967 24.451
292 H GLY 42 H GLY 42 -9.738 12.415 21.616
293 HA2 GLY 42 1HA GLY 42 -11.453 14.732 21.104
294 HA3 GLY 42 2HA GLY 42 -10.549 13.826 19.900
295 HA PRO 43 HA PRO 43 -15.108 12.599 19.965
296 HB2 PRO 43 1HB PRO 43 -15.730 13.520 17.488
297 HB3 PRO 43 2HB PRO 43 -15.876 14.509 18.946
298 HG2 PRO 43 1HG PRO 43 -13.687 14.456 16.903
299 HG3 PRO 43 2HG PRO 43 -14.454 15.851 17.686
300 HD2 PRO 43 1HD PRO 43 -12.050 14.881 18.468
301 HD3 PRO 43 2HD PRO 43 -13.194 15.628 19.603
302 H SER 44 H SER 44 -12.264 11.905 18.404
303 HA SER 44 HA SER 44 -13.384 10.026 16.486
304 HB2 SER 44 1HB SER 44 -11.216 11.535 16.256
305 HB3 SER 44 2HB SER 44 -10.454 10.162 17.059
306 HG SER 44 HG SER 44 -11.071 8.850 15.383
307 H SER 45 H SER 45 -12.404 7.790 16.429
308 HA SER 45 HA SER 45 -13.195 6.189 18.410
309 HB2 SER 45 1HB SER 45 -12.248 5.301 16.347
310 HB3 SER 45 2HB SER 45 -10.636 5.824 16.833
311 HG SER 45 HG SER 45 -11.366 4.401 18.814
312 H GLY 46 H GLY 46 -12.438 5.318 20.333
313 HA2 GLY 46 1HA GLY 46 -11.090 6.980 22.090
314 HA3 GLY 46 2HA GLY 46 -11.284 5.249 22.318
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -1.692 23.912 -10.787
2 HA2 GLY 1 1HA GLY 1 -3.841 25.924 -10.944
3 HA3 GLY 1 2HA GLY 1 -4.046 24.346 -11.690
4 H SER 2 H SER 2 -4.329 22.517 -10.385
5 HA SER 2 HA SER 2 -4.903 23.106 -7.555
6 HB2 SER 2 1HB SER 2 -6.414 21.255 -9.414
7 HB3 SER 2 2HB SER 2 -6.722 21.421 -7.686
8 HG SER 2 HG SER 2 -7.646 23.310 -8.014
9 H SER 3 H SER 3 -4.233 20.442 -9.824
10 HA SER 3 HA SER 3 -2.439 19.280 -7.813
11 HB2 SER 3 1HB SER 3 -4.809 17.986 -9.092
12 HB3 SER 3 2HB SER 3 -3.384 16.997 -8.774
13 HG SER 3 HG SER 3 -5.231 18.009 -7.036
14 H GLY 4 H GLY 4 -0.502 19.360 -8.749
15 HA2 GLY 4 1HA GLY 4 -0.193 18.152 -11.399
16 HA3 GLY 4 2HA GLY 4 0.383 19.797 -11.181
17 H SER 5 H SER 5 0.547 16.991 -9.008
18 HA SER 5 HA SER 5 3.396 17.491 -8.654
19 HB2 SER 5 1HB SER 5 3.242 15.939 -6.774
20 HB3 SER 5 2HB SER 5 1.960 17.145 -6.665
21 HG SER 5 HG SER 5 1.414 14.754 -8.005
22 H SER 6 H SER 6 4.932 15.707 -8.691
23 HA SER 6 HA SER 6 4.169 13.574 -10.574
24 HB2 SER 6 1HB SER 6 5.662 15.526 -11.463
25 HB3 SER 6 2HB SER 6 6.943 14.722 -10.558
26 HG SER 6 HG SER 6 6.072 14.116 -12.955
27 H GLY 7 H GLY 7 4.609 11.571 -9.908
28 HA2 GLY 7 1HA GLY 7 6.507 10.190 -8.931
29 HA3 GLY 7 2HA GLY 7 6.365 11.272 -7.554
30 H THR 8 H THR 8 5.225 8.431 -9.036
31 HA THR 8 HA THR 8 2.926 8.267 -7.215
32 HB THR 8 HB THR 8 2.217 6.323 -8.566
33 HG1 THR 8 HG1 THR 8 4.553 6.972 -10.061
34 HG21 THR 8 3HG2 THR 8 1.125 8.148 -9.390
35 HG22 THR 8 1HG2 THR 8 2.077 7.743 -10.817
36 HG23 THR 8 2HG2 THR 8 2.616 9.024 -9.732
37 H GLY 9 H GLY 9 2.885 6.878 -5.544
38 HA2 GLY 9 1HA GLY 9 5.314 5.475 -4.867
39 HA3 GLY 9 2HA GLY 9 3.857 5.575 -3.890
40 H GLU 10 H GLU 10 5.791 3.454 -5.379
41 HA GLU 10 HA GLU 10 3.581 1.564 -5.842
42 HB2 GLU 10 1HB GLU 10 4.759 2.355 -7.949
43 HB3 GLU 10 2HB GLU 10 6.187 1.517 -7.359
44 HG2 GLU 10 1HG GLU 10 4.706 -0.554 -7.226
45 HG3 GLU 10 2HG GLU 10 3.557 0.358 -8.204
46 H LYS 11 H LYS 11 4.775 1.843 -3.374
47 HA LYS 11 HA LYS 11 6.903 -0.060 -3.046
48 HB2 LYS 11 1HB LYS 11 5.131 1.136 -0.912
49 HB3 LYS 11 2HB LYS 11 6.709 0.393 -0.685
50 HG2 LYS 11 1HG LYS 11 6.146 2.956 -2.164
51 HG3 LYS 11 2HG LYS 11 6.870 2.806 -0.561
52 HD2 LYS 11 1HD LYS 11 8.791 1.674 -1.490
53 HD3 LYS 11 2HD LYS 11 8.050 1.662 -3.092
54 HE2 LYS 11 1HE LYS 11 9.503 3.461 -3.221
55 HE3 LYS 11 2HE LYS 11 7.973 4.234 -2.808
56 HZ1 LYS 11 3HZ LYS 11 8.701 4.791 -0.758
57 HZ2 LYS 11 1HZ LYS 11 10.215 4.727 -1.512
58 HZ3 LYS 11 2HZ LYS 11 9.674 3.418 -0.588
59 HA PRO 12 HA PRO 12 4.531 -3.742 -2.658
60 HB2 PRO 12 1HB PRO 12 6.177 -5.185 -1.052
61 HB3 PRO 12 2HB PRO 12 6.529 -4.872 -2.756
62 HG2 PRO 12 1HG PRO 12 7.581 -3.487 -0.318
63 HG3 PRO 12 2HG PRO 12 8.450 -3.998 -1.777
64 HD2 PRO 12 1HD PRO 12 7.666 -1.439 -1.369
65 HD3 PRO 12 2HD PRO 12 7.752 -2.165 -2.987
66 H TYR 13 H TYR 13 5.162 -1.669 -0.055
67 HA TYR 13 HA TYR 13 3.127 -3.041 1.562
68 HB2 TYR 13 1HB TYR 13 5.553 -1.681 2.740
69 HB3 TYR 13 2HB TYR 13 4.333 -2.618 3.595
70 HD1 TYR 13 HD2 TYR 13 4.248 -5.082 3.315
71 HD2 TYR 13 HD1 TYR 13 7.383 -2.745 1.638
72 HE1 TYR 13 HE2 TYR 13 5.606 -7.114 3.036
73 HE2 TYR 13 HE1 TYR 13 8.749 -4.770 1.354
74 HH TYR 13 HH TYR 13 7.518 -7.965 2.307
75 H LYS 14 H LYS 14 1.454 -1.685 1.241
76 HA LYS 14 HA LYS 14 1.871 1.151 1.927
77 HB2 LYS 14 1HB LYS 14 1.427 1.078 -0.417
78 HB3 LYS 14 2HB LYS 14 0.105 -0.061 -0.198
79 HG2 LYS 14 1HG LYS 14 -1.324 1.573 0.649
80 HG3 LYS 14 2HG LYS 14 0.004 2.680 1.006
81 HD2 LYS 14 1HD LYS 14 -0.887 3.623 -0.902
82 HD3 LYS 14 2HD LYS 14 0.385 2.601 -1.576
83 HE2 LYS 14 1HE LYS 14 -1.580 2.274 -2.888
84 HE3 LYS 14 2HE LYS 14 -1.338 0.823 -1.916
85 HZ1 LYS 14 3HZ LYS 14 -3.667 2.040 -2.094
86 HZ2 LYS 14 1HZ LYS 14 -3.037 2.903 -0.782
87 HZ3 LYS 14 2HZ LYS 14 -3.183 1.221 -0.695
88 H CYS 15 H CYS 15 0.607 1.968 3.484
89 HA CYS 15 HA CYS 15 -0.847 0.416 5.227
90 HB2 CYS 15 1HB CYS 15 -0.077 2.978 5.253
91 HB3 CYS 15 2HB CYS 15 -1.773 3.217 4.847
92 H ASP 16 H ASP 16 -3.081 0.129 5.622
93 HA ASP 16 HA ASP 16 -4.720 0.276 3.181
94 HB2 ASP 16 1HB ASP 16 -4.728 -1.637 5.508
95 HB3 ASP 16 2HB ASP 16 -6.110 -1.499 4.424
96 H VAL 17 H VAL 17 -4.252 2.268 5.467
97 HA VAL 17 HA VAL 17 -7.106 2.778 5.989
98 HB VAL 17 HB VAL 17 -6.450 2.196 8.121
99 HG11 VAL 17 1HG1 VAL 17 -4.292 2.569 9.101
100 HG12 VAL 17 2HG1 VAL 17 -4.063 1.871 7.496
101 HG13 VAL 17 3HG1 VAL 17 -3.807 3.598 7.753
102 HG21 VAL 17 3HG2 VAL 17 -7.376 4.460 8.134
103 HG22 VAL 17 1HG2 VAL 17 -6.198 4.245 9.428
104 HG23 VAL 17 2HG2 VAL 17 -5.753 5.129 7.969
105 H CYS 18 H CYS 18 -3.866 4.142 5.632
106 HA CYS 18 HA CYS 18 -5.103 6.722 4.928
107 HB2 CYS 18 1HB CYS 18 -3.184 7.856 5.752
108 HB3 CYS 18 2HB CYS 18 -3.615 6.672 6.981
109 H HIS 19 H HIS 19 -3.422 4.065 3.755
110 HA HIS 19 HA HIS 19 -2.609 3.565 1.685
111 HB2 HIS 19 1HB HIS 19 -3.303 6.387 0.864
112 HB3 HIS 19 2HB HIS 19 -3.091 4.986 -0.182
113 HD2 HIS 19 HD2 HIS 19 -5.150 3.160 1.942
114 HE1 HIS 19 HE1 HIS 19 -8.004 5.804 0.250
115 HE2 HIS 19 HE2 HIS 19 -7.655 3.700 1.590
116 H LYS 20 H LYS 20 -0.787 4.170 3.560
117 HA LYS 20 HA LYS 20 1.102 6.059 2.353
118 HB2 LYS 20 1HB LYS 20 0.707 4.948 5.082
119 HB3 LYS 20 2HB LYS 20 2.354 5.335 4.603
120 HG2 LYS 20 1HG LYS 20 0.179 7.347 4.231
121 HG3 LYS 20 2HG LYS 20 0.914 7.111 5.819
122 HD2 LYS 20 1HD LYS 20 2.547 7.607 3.341
123 HD3 LYS 20 2HD LYS 20 1.924 8.920 4.343
124 HE2 LYS 20 1HE LYS 20 3.041 7.600 6.288
125 HE3 LYS 20 2HE LYS 20 3.969 6.838 4.997
126 HZ1 LYS 20 3HZ LYS 20 5.269 8.633 5.597
127 HZ2 LYS 20 1HZ LYS 20 3.949 9.663 5.838
128 HZ3 LYS 20 2HZ LYS 20 4.421 9.245 4.268
129 H SER 21 H SER 21 2.347 5.154 0.844
130 HA SER 21 HA SER 21 2.947 2.395 0.700
131 HB2 SER 21 1HB SER 21 4.451 3.001 -1.121
132 HB3 SER 21 2HB SER 21 2.947 3.912 -1.264
133 HG SER 21 HG SER 21 5.511 4.793 -0.755
134 H PHE 22 H PHE 22 4.951 1.325 0.982
135 HA PHE 22 HA PHE 22 7.079 2.685 2.405
136 HB2 PHE 22 1HB PHE 22 5.505 0.433 3.669
137 HB3 PHE 22 2HB PHE 22 7.051 1.021 4.271
138 HD1 PHE 22 HD1 PHE 22 7.228 3.299 5.202
139 HD2 PHE 22 HD2 PHE 22 3.486 1.608 4.083
140 HE1 PHE 22 HE1 PHE 22 6.061 5.009 6.532
141 HE2 PHE 22 HE2 PHE 22 2.313 3.315 5.410
142 HZ PHE 22 HZ PHE 22 3.601 5.020 6.636
143 H ARG 23 H ARG 23 8.752 2.101 1.185
144 HA ARG 23 HA ARG 23 8.984 -0.051 -0.499
145 HB2 ARG 23 1HB ARG 23 10.579 1.729 -0.617
146 HB3 ARG 23 2HB ARG 23 11.123 1.431 1.029
147 HG2 ARG 23 1HG ARG 23 12.341 -0.433 0.433
148 HG3 ARG 23 2HG ARG 23 11.395 -0.710 -1.031
149 HD2 ARG 23 1HD ARG 23 13.461 0.101 -1.791
150 HD3 ARG 23 2HD ARG 23 12.371 1.483 -1.879
151 HE ARG 23 HE ARG 23 14.585 1.117 -0.018
152 HH11 ARG 23 1HH1 ARG 23 11.860 3.014 -1.066
153 HH12 ARG 23 2HH1 ARG 23 12.367 4.444 -0.229
154 HH21 ARG 23 1HH2 ARG 23 15.263 2.993 1.089
155 HH22 ARG 23 2HH2 ARG 23 14.303 4.430 0.996
156 H TYR 24 H TYR 24 9.406 0.038 2.954
157 HA TYR 24 HA TYR 24 10.174 -2.807 2.916
158 HB2 TYR 24 1HB TYR 24 10.776 -0.640 4.930
159 HB3 TYR 24 2HB TYR 24 11.020 -2.351 5.264
160 HD1 TYR 24 HD2 TYR 24 11.914 0.208 2.689
161 HD2 TYR 24 HD1 TYR 24 13.109 -3.249 4.862
162 HE1 TYR 24 HE2 TYR 24 14.138 0.329 1.646
163 HE2 TYR 24 HE1 TYR 24 15.338 -3.137 3.826
164 HH TYR 24 HH TYR 24 16.084 -1.726 1.218
165 H GLY 25 H GLY 25 9.121 -4.243 4.294
166 HA2 GLY 25 1HA GLY 25 6.381 -3.665 4.802
167 HA3 GLY 25 2HA GLY 25 7.235 -5.128 5.272
168 H SER 26 H SER 26 9.214 -3.984 6.903
169 HA SER 26 HA SER 26 7.887 -3.857 9.360
170 HB2 SER 26 1HB SER 26 10.675 -3.165 8.479
171 HB3 SER 26 2HB SER 26 10.160 -2.847 10.135
172 HG SER 26 HG SER 26 10.087 -4.938 10.533
173 H SER 27 H SER 27 9.107 -1.289 7.260
174 HA SER 27 HA SER 27 8.727 0.890 8.945
175 HB2 SER 27 1HB SER 27 8.368 0.802 5.939
176 HB3 SER 27 2HB SER 27 8.635 2.253 6.904
177 HG SER 27 HG SER 27 10.691 1.753 7.118
178 H LEU 28 H LEU 28 6.462 -0.532 6.599
179 HA LEU 28 HA LEU 28 4.332 1.185 6.894
180 HB2 LEU 28 1HB LEU 28 4.201 -0.469 5.227
181 HB3 LEU 28 2HB LEU 28 4.445 -1.771 6.389
182 HG LEU 28 HG LEU 28 2.199 -1.340 7.308
183 HD11 LEU 28 1HD1 LEU 28 2.440 1.086 5.944
184 HD12 LEU 28 2HD1 LEU 28 1.041 0.491 6.837
185 HD13 LEU 28 3HD1 LEU 28 1.171 0.193 5.104
186 HD21 LEU 28 3HD2 LEU 28 2.130 -3.073 5.798
187 HD22 LEU 28 1HD2 LEU 28 2.614 -2.056 4.442
188 HD23 LEU 28 2HD2 LEU 28 0.973 -1.952 5.079
189 H THR 29 H THR 29 4.650 -1.922 8.622
190 HA THR 29 HA THR 29 2.557 -1.637 10.381
191 HB THR 29 HB THR 29 5.230 -2.940 10.933
192 HG1 THR 29 HG1 THR 29 3.645 -4.819 10.476
193 HG21 THR 29 3HG2 THR 29 2.686 -3.764 12.254
194 HG22 THR 29 1HG2 THR 29 3.558 -2.367 12.884
195 HG23 THR 29 2HG2 THR 29 4.350 -3.941 12.809
196 H VAL 30 H VAL 30 5.956 -0.768 11.041
197 HA VAL 30 HA VAL 30 5.651 0.321 13.552
198 HB VAL 30 HB VAL 30 7.499 1.291 11.367
199 HG11 VAL 30 1HG1 VAL 30 7.341 2.956 13.099
200 HG12 VAL 30 2HG1 VAL 30 7.571 1.732 14.349
201 HG13 VAL 30 3HG1 VAL 30 8.888 2.122 13.242
202 HG21 VAL 30 3HG2 VAL 30 8.714 -0.275 13.456
203 HG22 VAL 30 1HG2 VAL 30 7.404 -1.170 12.685
204 HG23 VAL 30 2HG2 VAL 30 8.728 -0.531 11.711
205 H HIS 31 H HIS 31 4.575 1.575 10.528
206 HA HIS 31 HA HIS 31 4.217 4.274 11.545
207 HB2 HIS 31 1HB HIS 31 4.725 4.487 9.327
208 HB3 HIS 31 2HB HIS 31 3.995 2.943 8.900
209 HD1 HIS 31 HD1 HIS 31 3.337 6.559 8.988
210 HD2 HIS 31 HD2 HIS 31 1.139 3.059 8.554
211 HE1 HIS 31 HE1 HIS 31 1.102 7.276 8.085
212 H GLN 32 H GLN 32 2.218 1.527 10.531
213 HA GLN 32 HA GLN 32 -0.294 2.657 10.798
214 HB2 GLN 32 1HB GLN 32 0.453 -0.175 11.540
215 HB3 GLN 32 2HB GLN 32 -1.142 0.403 11.077
216 HG2 GLN 32 1HG GLN 32 -0.096 1.054 8.858
217 HG3 GLN 32 2HG GLN 32 1.297 0.096 9.359
218 HE21 GLN 32 1HE2 GLN 32 -1.943 0.047 8.212
219 HE22 GLN 32 2HE2 GLN 32 -2.078 -1.662 8.006
220 H ARG 33 H ARG 33 2.022 2.145 13.201
221 HA ARG 33 HA ARG 33 0.633 1.474 15.472
222 HB2 ARG 33 1HB ARG 33 2.884 3.448 15.099
223 HB3 ARG 33 2HB ARG 33 2.280 2.978 16.682
224 HG2 ARG 33 1HG ARG 33 2.729 0.554 15.778
225 HG3 ARG 33 2HG ARG 33 3.837 1.403 14.700
226 HD2 ARG 33 1HD ARG 33 5.179 0.868 16.518
227 HD3 ARG 33 2HD ARG 33 4.706 2.534 16.848
228 HE ARG 33 HE ARG 33 2.932 0.639 18.043
229 HH11 ARG 33 1HH1 ARG 33 5.993 2.256 18.411
230 HH12 ARG 33 2HH1 ARG 33 6.009 2.112 20.138
231 HH21 ARG 33 1HH2 ARG 33 2.942 0.443 20.315
232 HH22 ARG 33 2HH2 ARG 33 4.273 1.080 21.220
233 H ILE 34 H ILE 34 0.748 4.589 13.832
234 HA ILE 34 HA ILE 34 -0.633 6.051 15.836
235 HB ILE 34 HB ILE 34 -0.631 7.847 14.388
236 HG12 ILE 34 1HG1 ILE 34 -2.032 6.685 12.664
237 HG13 ILE 34 2HG1 ILE 34 -0.797 7.744 11.990
238 HG21 ILE 34 1HG2 ILE 34 1.507 7.957 13.428
239 HG22 ILE 34 2HG2 ILE 34 1.659 6.785 14.735
240 HG23 ILE 34 3HG2 ILE 34 1.526 6.231 13.066
241 HD11 ILE 34 3HD1 ILE 34 0.524 5.941 11.300
242 HD12 ILE 34 1HD1 ILE 34 -0.354 4.798 12.317
243 HD13 ILE 34 2HD1 ILE 34 -1.129 5.484 10.889
244 H HIS 35 H HIS 35 -1.649 3.906 13.330
245 HA HIS 35 HA HIS 35 -4.379 4.848 13.279
246 HB2 HIS 35 1HB HIS 35 -3.052 2.421 12.060
247 HB3 HIS 35 2HB HIS 35 -4.750 2.830 11.835
248 HD1 HIS 35 HD1 HIS 35 -4.630 5.778 11.217
249 HD2 HIS 35 HD2 HIS 35 -1.904 3.040 9.691
250 HE1 HIS 35 HE1 HIS 35 -3.691 6.848 9.144
251 H THR 36 H THR 36 -2.518 2.726 15.186
252 HA THR 36 HA THR 36 -4.968 1.524 16.303
253 HB THR 36 HB THR 36 -3.566 -0.199 15.323
254 HG1 THR 36 HG1 THR 36 -3.271 -1.452 17.244
255 HG21 THR 36 3HG2 THR 36 -1.347 -0.022 15.307
256 HG22 THR 36 1HG2 THR 36 -1.319 -0.208 17.060
257 HG23 THR 36 2HG2 THR 36 -1.443 1.400 16.345
258 H GLY 37 H GLY 37 -5.482 2.222 18.266
259 HA2 GLY 37 1HA GLY 37 -3.350 2.782 20.194
260 HA3 GLY 37 2HA GLY 37 -4.474 4.081 19.826
261 H GLU 38 H GLU 38 -4.023 1.042 21.438
262 HA GLU 38 HA GLU 38 -6.706 1.309 22.628
263 HB2 GLU 38 1HB GLU 38 -5.110 -1.082 21.824
264 HB3 GLU 38 2HB GLU 38 -6.181 -1.220 23.211
265 HG2 GLU 38 1HG GLU 38 -8.031 -0.377 21.744
266 HG3 GLU 38 2HG GLU 38 -6.923 -0.535 20.382
267 H LYS 39 H LYS 39 -6.638 2.067 24.627
268 HA LYS 39 HA LYS 39 -4.667 1.008 26.500
269 HB2 LYS 39 1HB LYS 39 -3.704 3.101 25.563
270 HB3 LYS 39 2HB LYS 39 -5.113 3.977 26.146
271 HG2 LYS 39 1HG LYS 39 -4.472 3.825 28.343
272 HG3 LYS 39 2HG LYS 39 -3.510 2.370 28.074
273 HD2 LYS 39 1HD LYS 39 -2.758 5.047 26.925
274 HD3 LYS 39 2HD LYS 39 -2.227 4.515 28.522
275 HE2 LYS 39 1HE LYS 39 -1.708 3.073 25.923
276 HE3 LYS 39 2HE LYS 39 -0.542 4.065 26.796
277 HZ1 LYS 39 3HZ LYS 39 -1.490 1.377 27.371
278 HZ2 LYS 39 1HZ LYS 39 -1.256 2.382 28.712
279 HZ3 LYS 39 2HZ LYS 39 0.025 2.075 27.652
280 HA PRO 40 HA PRO 40 -8.459 0.883 28.833
281 HB2 PRO 40 1HB PRO 40 -7.382 -0.248 31.054
282 HB3 PRO 40 2HB PRO 40 -7.746 -1.166 29.588
283 HG2 PRO 40 1HG PRO 40 -5.129 -0.056 30.528
284 HG3 PRO 40 2HG PRO 40 -5.480 -1.640 29.812
285 HD2 PRO 40 1HD PRO 40 -4.414 0.400 28.385
286 HD3 PRO 40 2HD PRO 40 -5.501 -0.804 27.663
287 H SER 41 H SER 41 -9.160 1.606 31.032
288 HA SER 41 HA SER 41 -7.506 3.791 32.091
289 HB2 SER 41 1HB SER 41 -10.453 3.957 31.419
290 HB3 SER 41 2HB SER 41 -9.561 5.183 32.319
291 HG SER 41 HG SER 41 -9.521 4.578 29.614
292 H GLY 42 H GLY 42 -7.067 3.270 34.127
293 HA2 GLY 42 1HA GLY 42 -8.949 1.647 35.657
294 HA3 GLY 42 2HA GLY 42 -7.301 2.045 36.121
295 HA PRO 43 HA PRO 43 -9.333 4.740 39.014
296 HB2 PRO 43 1HB PRO 43 -7.060 5.700 40.149
297 HB3 PRO 43 2HB PRO 43 -7.714 4.098 40.513
298 HG2 PRO 43 1HG PRO 43 -5.500 4.862 38.648
299 HG3 PRO 43 2HG PRO 43 -5.580 3.513 39.796
300 HD2 PRO 43 1HD PRO 43 -6.028 3.198 37.144
301 HD3 PRO 43 2HD PRO 43 -6.847 2.214 38.374
302 H SER 44 H SER 44 -7.523 5.551 36.312
303 HA SER 44 HA SER 44 -6.926 8.245 36.631
304 HB2 SER 44 1HB SER 44 -6.761 8.368 34.271
305 HB3 SER 44 2HB SER 44 -6.350 6.701 34.670
306 HG SER 44 HG SER 44 -7.849 6.279 33.248
307 H SER 45 H SER 45 -8.045 10.128 36.440
308 HA SER 45 HA SER 45 -10.905 9.980 36.760
309 HB2 SER 45 1HB SER 45 -9.473 11.579 38.043
310 HB3 SER 45 2HB SER 45 -9.157 12.441 36.538
311 HG SER 45 HG SER 45 -10.928 13.264 37.876
312 H GLY 46 H GLY 46 -12.415 10.267 35.245
313 HA2 GLY 46 1HA GLY 46 -11.511 10.992 32.543
314 HA3 GLY 46 2HA GLY 46 -12.983 10.112 32.929
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -15.023 14.031 -15.376
2 HA2 GLY 1 1HA GLY 1 -17.260 12.716 -14.007
3 HA3 GLY 1 2HA GLY 1 -16.359 12.064 -15.367
4 H SER 2 H SER 2 -14.203 11.260 -14.980
5 HA SER 2 HA SER 2 -13.637 10.621 -12.168
6 HB2 SER 2 1HB SER 2 -14.804 8.733 -13.520
7 HB3 SER 2 2HB SER 2 -13.239 8.553 -14.314
8 HG SER 2 HG SER 2 -12.548 7.558 -12.609
9 H SER 3 H SER 3 -11.596 11.007 -11.614
10 HA SER 3 HA SER 3 -9.646 11.484 -13.761
11 HB2 SER 3 1HB SER 3 -8.416 12.839 -12.133
12 HB3 SER 3 2HB SER 3 -10.086 13.392 -12.255
13 HG SER 3 HG SER 3 -9.153 13.096 -10.067
14 H GLY 4 H GLY 4 -7.360 10.925 -13.241
15 HA2 GLY 4 1HA GLY 4 -6.891 8.879 -11.264
16 HA3 GLY 4 2HA GLY 4 -6.929 8.264 -12.909
17 H SER 5 H SER 5 -5.004 9.591 -10.510
18 HA SER 5 HA SER 5 -3.104 11.014 -12.046
19 HB2 SER 5 1HB SER 5 -1.604 10.636 -10.058
20 HB3 SER 5 2HB SER 5 -3.166 11.355 -9.667
21 HG SER 5 HG SER 5 -3.554 8.790 -9.521
22 H SER 6 H SER 6 -0.692 10.194 -11.919
23 HA SER 6 HA SER 6 -0.644 7.741 -13.478
24 HB2 SER 6 1HB SER 6 0.639 9.484 -14.445
25 HB3 SER 6 2HB SER 6 1.402 9.884 -12.907
26 HG SER 6 HG SER 6 2.423 7.804 -13.013
27 H GLY 7 H GLY 7 0.837 9.035 -10.520
28 HA2 GLY 7 1HA GLY 7 1.196 7.745 -8.567
29 HA3 GLY 7 2HA GLY 7 1.129 6.288 -9.547
30 H THR 8 H THR 8 3.136 8.551 -8.031
31 HA THR 8 HA THR 8 5.495 7.480 -9.440
32 HB THR 8 HB THR 8 5.338 10.098 -7.936
33 HG1 THR 8 HG1 THR 8 4.135 9.789 -10.070
34 HG21 THR 8 3HG2 THR 8 7.576 9.726 -7.957
35 HG22 THR 8 1HG2 THR 8 7.432 10.334 -9.605
36 HG23 THR 8 2HG2 THR 8 7.485 8.597 -9.308
37 H GLY 9 H GLY 9 6.166 5.810 -8.207
38 HA2 GLY 9 1HA GLY 9 7.663 5.265 -6.383
39 HA3 GLY 9 2HA GLY 9 6.787 6.420 -5.389
40 H GLU 10 H GLU 10 6.695 3.234 -6.849
41 HA GLU 10 HA GLU 10 4.302 2.562 -5.299
42 HB2 GLU 10 1HB GLU 10 4.249 0.501 -6.638
43 HB3 GLU 10 2HB GLU 10 4.256 1.937 -7.652
44 HG2 GLU 10 1HG GLU 10 5.741 0.523 -8.718
45 HG3 GLU 10 2HG GLU 10 6.795 1.583 -7.785
46 H LYS 11 H LYS 11 4.321 1.171 -3.618
47 HA LYS 11 HA LYS 11 6.859 -0.174 -2.973
48 HB2 LYS 11 1HB LYS 11 5.014 1.088 -0.942
49 HB3 LYS 11 2HB LYS 11 6.582 0.353 -0.637
50 HG2 LYS 11 1HG LYS 11 6.086 2.862 -2.228
51 HG3 LYS 11 2HG LYS 11 6.719 2.778 -0.582
52 HD2 LYS 11 1HD LYS 11 8.723 1.743 -1.309
53 HD3 LYS 11 2HD LYS 11 8.061 1.428 -2.915
54 HE2 LYS 11 1HE LYS 11 9.460 3.265 -3.238
55 HE3 LYS 11 2HE LYS 11 7.853 3.978 -3.110
56 HZ1 LYS 11 3HZ LYS 11 8.297 4.815 -1.024
57 HZ2 LYS 11 1HZ LYS 11 9.796 5.000 -1.787
58 HZ3 LYS 11 2HZ LYS 11 9.545 3.717 -0.714
59 HA PRO 12 HA PRO 12 4.433 -3.827 -2.606
60 HB2 PRO 12 1HB PRO 12 6.063 -5.277 -0.991
61 HB3 PRO 12 2HB PRO 12 6.419 -4.977 -2.696
62 HG2 PRO 12 1HG PRO 12 7.484 -3.590 -0.267
63 HG3 PRO 12 2HG PRO 12 8.348 -4.118 -1.723
64 HD2 PRO 12 1HD PRO 12 7.592 -1.548 -1.331
65 HD3 PRO 12 2HD PRO 12 7.670 -2.285 -2.944
66 H TYR 13 H TYR 13 5.139 -1.777 0.016
67 HA TYR 13 HA TYR 13 3.073 -3.108 1.632
68 HB2 TYR 13 1HB TYR 13 5.511 -1.760 2.799
69 HB3 TYR 13 2HB TYR 13 4.288 -2.689 3.659
70 HD1 TYR 13 HD2 TYR 13 4.189 -5.154 3.380
71 HD2 TYR 13 HD1 TYR 13 7.335 -2.834 1.700
72 HE1 TYR 13 HE2 TYR 13 5.537 -7.193 3.104
73 HE2 TYR 13 HE1 TYR 13 8.691 -4.867 1.418
74 HH TYR 13 HH TYR 13 8.477 -7.220 1.287
75 H LYS 14 H LYS 14 1.427 -1.723 1.218
76 HA LYS 14 HA LYS 14 1.854 1.098 1.957
77 HB2 LYS 14 1HB LYS 14 1.491 1.067 -0.399
78 HB3 LYS 14 2HB LYS 14 0.157 -0.068 -0.248
79 HG2 LYS 14 1HG LYS 14 -1.302 1.555 0.542
80 HG3 LYS 14 2HG LYS 14 0.008 2.641 1.013
81 HD2 LYS 14 1HD LYS 14 -0.860 3.618 -0.922
82 HD3 LYS 14 2HD LYS 14 0.557 2.736 -1.496
83 HE2 LYS 14 1HE LYS 14 -1.128 0.808 -1.910
84 HE3 LYS 14 2HE LYS 14 -2.346 2.080 -1.822
85 HZ1 LYS 14 3HZ LYS 14 -1.688 1.733 -4.094
86 HZ2 LYS 14 1HZ LYS 14 -0.056 1.963 -3.710
87 HZ3 LYS 14 2HZ LYS 14 -1.143 3.254 -3.592
88 H CYS 15 H CYS 15 0.582 1.878 3.518
89 HA CYS 15 HA CYS 15 -0.960 0.337 5.176
90 HB2 CYS 15 1HB CYS 15 -0.170 2.898 5.245
91 HB3 CYS 15 2HB CYS 15 -1.856 3.147 4.804
92 H ASP 16 H ASP 16 -3.285 0.314 5.567
93 HA ASP 16 HA ASP 16 -4.810 0.392 3.047
94 HB2 ASP 16 1HB ASP 16 -4.914 -1.497 5.383
95 HB3 ASP 16 2HB ASP 16 -6.302 -1.308 4.315
96 H VAL 17 H VAL 17 -4.368 2.109 5.746
97 HA VAL 17 HA VAL 17 -7.218 2.798 6.041
98 HB VAL 17 HB VAL 17 -6.591 2.224 8.184
99 HG11 VAL 17 1HG1 VAL 17 -4.232 1.806 7.661
100 HG12 VAL 17 2HG1 VAL 17 -3.912 3.540 7.745
101 HG13 VAL 17 3HG1 VAL 17 -4.420 2.665 9.190
102 HG21 VAL 17 3HG2 VAL 17 -6.299 4.288 9.475
103 HG22 VAL 17 1HG2 VAL 17 -5.865 5.147 7.997
104 HG23 VAL 17 2HG2 VAL 17 -7.490 4.489 8.190
105 H CYS 18 H CYS 18 -3.957 4.111 5.693
106 HA CYS 18 HA CYS 18 -5.147 6.715 4.997
107 HB2 CYS 18 1HB CYS 18 -3.209 7.805 5.803
108 HB3 CYS 18 2HB CYS 18 -3.593 6.589 7.017
109 H HIS 19 H HIS 19 -3.385 4.041 3.858
110 HA HIS 19 HA HIS 19 -2.675 3.514 1.749
111 HB2 HIS 19 1HB HIS 19 -3.278 6.330 0.865
112 HB3 HIS 19 2HB HIS 19 -3.240 4.863 -0.109
113 HD2 HIS 19 HD2 HIS 19 -5.323 3.131 1.863
114 HE1 HIS 19 HE1 HIS 19 -8.021 6.238 0.829
115 HE2 HIS 19 HE2 HIS 19 -7.780 3.938 1.828
116 H LYS 20 H LYS 20 -0.829 4.146 3.617
117 HA LYS 20 HA LYS 20 1.063 6.002 2.369
118 HB2 LYS 20 1HB LYS 20 0.700 4.888 5.102
119 HB3 LYS 20 2HB LYS 20 2.345 5.254 4.597
120 HG2 LYS 20 1HG LYS 20 0.191 7.296 4.266
121 HG3 LYS 20 2HG LYS 20 0.951 7.048 5.839
122 HD2 LYS 20 1HD LYS 20 2.557 7.513 3.340
123 HD3 LYS 20 2HD LYS 20 1.954 8.844 4.330
124 HE2 LYS 20 1HE LYS 20 3.084 7.648 6.291
125 HE3 LYS 20 2HE LYS 20 3.923 6.698 5.066
126 HZ1 LYS 20 3HZ LYS 20 5.245 8.590 5.746
127 HZ2 LYS 20 1HZ LYS 20 4.000 9.656 5.327
128 HZ3 LYS 20 2HZ LYS 20 4.785 8.760 4.126
129 H SER 21 H SER 21 2.312 5.112 0.862
130 HA SER 21 HA SER 21 2.872 2.343 0.683
131 HB2 SER 21 1HB SER 21 4.438 2.993 -1.116
132 HB3 SER 21 2HB SER 21 2.871 3.781 -1.296
133 HG SER 21 HG SER 21 4.191 5.452 -1.501
134 H PHE 22 H PHE 22 4.846 1.238 0.967
135 HA PHE 22 HA PHE 22 7.003 2.575 2.379
136 HB2 PHE 22 1HB PHE 22 5.421 0.311 3.609
137 HB3 PHE 22 2HB PHE 22 6.982 0.863 4.207
138 HD1 PHE 22 HD1 PHE 22 7.204 3.094 5.215
139 HD2 PHE 22 HD2 PHE 22 3.424 1.527 4.044
140 HE1 PHE 22 HE1 PHE 22 6.077 4.791 6.596
141 HE2 PHE 22 HE2 PHE 22 2.291 3.221 5.422
142 HZ PHE 22 HZ PHE 22 3.617 4.856 6.700
143 H ARG 23 H ARG 23 8.705 1.995 1.207
144 HA ARG 23 HA ARG 23 8.926 -0.094 -0.559
145 HB2 ARG 23 1HB ARG 23 10.546 1.686 -0.550
146 HB3 ARG 23 2HB ARG 23 11.083 1.253 1.068
147 HG2 ARG 23 1HG ARG 23 12.707 0.495 -0.515
148 HG3 ARG 23 2HG ARG 23 11.888 -0.910 0.169
149 HD2 ARG 23 1HD ARG 23 12.124 -1.217 -2.206
150 HD3 ARG 23 2HD ARG 23 10.421 -0.970 -1.824
151 HE ARG 23 HE ARG 23 10.477 1.047 -2.954
152 HH11 ARG 23 1HH1 ARG 23 13.685 -0.275 -2.664
153 HH12 ARG 23 2HH1 ARG 23 14.384 0.831 -3.800
154 HH21 ARG 23 1HH2 ARG 23 11.386 2.508 -4.451
155 HH22 ARG 23 2HH2 ARG 23 13.075 2.414 -4.815
156 H TYR 24 H TYR 24 9.329 -0.136 2.903
157 HA TYR 24 HA TYR 24 9.912 -3.022 2.758
158 HB2 TYR 24 1HB TYR 24 10.858 -0.973 4.765
159 HB3 TYR 24 2HB TYR 24 10.987 -2.709 5.028
160 HD1 TYR 24 HD2 TYR 24 11.669 -0.474 2.104
161 HD2 TYR 24 HD1 TYR 24 13.163 -3.421 4.786
162 HE1 TYR 24 HE2 TYR 24 13.804 -0.495 0.883
163 HE2 TYR 24 HE1 TYR 24 15.302 -3.449 3.573
164 HH TYR 24 HH TYR 24 16.276 -1.113 1.511
165 H GLY 25 H GLY 25 8.869 -4.384 4.236
166 HA2 GLY 25 1HA GLY 25 6.220 -3.645 4.908
167 HA3 GLY 25 2HA GLY 25 7.034 -5.123 5.402
168 H SER 26 H SER 26 9.171 -3.930 6.833
169 HA SER 26 HA SER 26 8.065 -3.710 9.374
170 HB2 SER 26 1HB SER 26 10.555 -4.057 8.542
171 HB3 SER 26 2HB SER 26 10.644 -2.314 8.790
172 HG SER 26 HG SER 26 9.647 -2.902 10.944
173 H SER 27 H SER 27 9.101 -1.151 7.146
174 HA SER 27 HA SER 27 8.689 1.052 8.779
175 HB2 SER 27 1HB SER 27 8.279 0.807 5.789
176 HB3 SER 27 2HB SER 27 8.372 2.334 6.666
177 HG SER 27 HG SER 27 10.371 0.643 5.884
178 H LEU 28 H LEU 28 6.384 -0.495 6.552
179 HA LEU 28 HA LEU 28 4.203 1.136 6.892
180 HB2 LEU 28 1HB LEU 28 4.116 -0.616 5.297
181 HB3 LEU 28 2HB LEU 28 4.367 -1.845 6.535
182 HG LEU 28 HG LEU 28 2.124 -1.357 7.437
183 HD11 LEU 28 1HD1 LEU 28 2.358 0.964 5.872
184 HD12 LEU 28 2HD1 LEU 28 0.996 0.464 6.873
185 HD13 LEU 28 3HD1 LEU 28 1.048 0.014 5.169
186 HD21 LEU 28 3HD2 LEU 28 0.935 -2.047 5.150
187 HD22 LEU 28 1HD2 LEU 28 1.924 -3.168 6.088
188 HD23 LEU 28 2HD2 LEU 28 2.612 -2.343 4.689
189 H THR 29 H THR 29 4.717 -1.886 8.721
190 HA THR 29 HA THR 29 2.690 -1.594 10.563
191 HB THR 29 HB THR 29 5.415 -2.831 10.997
192 HG1 THR 29 HG1 THR 29 4.598 -4.395 9.844
193 HG21 THR 29 3HG2 THR 29 4.632 -3.842 12.944
194 HG22 THR 29 1HG2 THR 29 2.943 -3.525 12.548
195 HG23 THR 29 2HG2 THR 29 3.991 -2.204 13.068
196 H VAL 30 H VAL 30 6.094 -0.624 11.025
197 HA VAL 30 HA VAL 30 5.882 0.541 13.513
198 HB VAL 30 HB VAL 30 7.607 1.444 11.203
199 HG11 VAL 30 1HG1 VAL 30 9.026 2.493 12.890
200 HG12 VAL 30 2HG1 VAL 30 7.405 3.190 12.905
201 HG13 VAL 30 3HG1 VAL 30 7.881 2.034 14.150
202 HG21 VAL 30 3HG2 VAL 30 9.142 0.129 13.121
203 HG22 VAL 30 1HG2 VAL 30 7.680 -0.845 12.959
204 HG23 VAL 30 2HG2 VAL 30 8.663 -0.487 11.539
205 H HIS 31 H HIS 31 4.583 1.638 10.531
206 HA HIS 31 HA HIS 31 4.227 4.372 11.465
207 HB2 HIS 31 1HB HIS 31 4.622 4.527 9.220
208 HB3 HIS 31 2HB HIS 31 3.917 2.949 8.878
209 HD1 HIS 31 HD1 HIS 31 3.136 6.556 8.956
210 HD2 HIS 31 HD2 HIS 31 1.071 2.969 8.590
211 HE1 HIS 31 HE1 HIS 31 0.848 7.179 8.119
212 H GLN 32 H GLN 32 2.204 1.610 10.506
213 HA GLN 32 HA GLN 32 -0.297 2.677 10.907
214 HB2 GLN 32 1HB GLN 32 0.535 -0.126 11.670
215 HB3 GLN 32 2HB GLN 32 -1.090 0.414 11.267
216 HG2 GLN 32 1HG GLN 32 -0.168 1.033 8.992
217 HG3 GLN 32 2HG GLN 32 1.276 0.130 9.446
218 HE21 GLN 32 1HE2 GLN 32 -1.959 -0.038 8.360
219 HE22 GLN 32 2HE2 GLN 32 -2.069 -1.757 8.233
220 H ARG 33 H ARG 33 2.129 2.150 13.230
221 HA ARG 33 HA ARG 33 0.864 1.529 15.564
222 HB2 ARG 33 1HB ARG 33 3.006 3.612 15.114
223 HB3 ARG 33 2HB ARG 33 2.529 3.019 16.699
224 HG2 ARG 33 1HG ARG 33 3.114 0.703 15.851
225 HG3 ARG 33 2HG ARG 33 3.873 1.513 14.479
226 HD2 ARG 33 1HD ARG 33 5.513 2.485 15.796
227 HD3 ARG 33 2HD ARG 33 4.559 2.331 17.271
228 HE ARG 33 HE ARG 33 6.269 0.326 16.080
229 HH11 ARG 33 1HH1 ARG 33 3.704 1.002 18.334
230 HH12 ARG 33 2HH1 ARG 33 3.973 -0.430 19.271
231 HH21 ARG 33 1HH2 ARG 33 6.633 -1.564 17.305
232 HH22 ARG 33 2HH2 ARG 33 5.640 -1.888 18.685
233 H ILE 34 H ILE 34 0.598 4.480 13.734
234 HA ILE 34 HA ILE 34 -0.648 6.004 15.815
235 HB ILE 34 HB ILE 34 -0.874 7.734 14.279
236 HG12 ILE 34 1HG1 ILE 34 -2.154 6.237 12.642
237 HG13 ILE 34 2HG1 ILE 34 -1.183 7.529 11.946
238 HG21 ILE 34 1HG2 ILE 34 1.440 6.079 13.281
239 HG22 ILE 34 2HG2 ILE 34 1.223 7.807 13.006
240 HG23 ILE 34 3HG2 ILE 34 1.467 7.198 14.643
241 HD11 ILE 34 3HD1 ILE 34 -0.959 5.458 10.693
242 HD12 ILE 34 1HD1 ILE 34 0.576 5.935 11.420
243 HD13 ILE 34 2HD1 ILE 34 -0.377 4.637 12.142
244 H HIS 35 H HIS 35 -1.744 3.921 13.224
245 HA HIS 35 HA HIS 35 -4.508 4.675 13.465
246 HB2 HIS 35 1HB HIS 35 -3.203 2.329 12.070
247 HB3 HIS 35 2HB HIS 35 -4.907 2.754 11.941
248 HD1 HIS 35 HD1 HIS 35 -5.039 5.570 11.246
249 HD2 HIS 35 HD2 HIS 35 -1.924 3.192 9.866
250 HE1 HIS 35 HE1 HIS 35 -4.131 6.757 9.224
251 H THR 36 H THR 36 -2.399 2.563 15.118
252 HA THR 36 HA THR 36 -4.685 1.157 16.337
253 HB THR 36 HB THR 36 -3.081 -0.337 15.181
254 HG1 THR 36 HG1 THR 36 -4.169 -0.687 17.452
255 HG21 THR 36 3HG2 THR 36 -1.157 1.321 16.357
256 HG22 THR 36 1HG2 THR 36 -0.870 -0.139 15.411
257 HG23 THR 36 2HG2 THR 36 -0.993 -0.236 17.168
258 H GLY 37 H GLY 37 -4.699 0.857 18.603
259 HA2 GLY 37 1HA GLY 37 -3.021 1.352 20.578
260 HA3 GLY 37 2HA GLY 37 -3.312 2.997 20.033
261 H GLU 38 H GLU 38 -5.458 0.184 20.444
262 HA GLU 38 HA GLU 38 -7.420 -0.071 21.568
263 HB2 GLU 38 1HB GLU 38 -5.837 0.436 23.484
264 HB3 GLU 38 2HB GLU 38 -6.424 2.092 23.421
265 HG2 GLU 38 1HG GLU 38 -7.644 1.034 25.125
266 HG3 GLU 38 2HG GLU 38 -8.741 1.161 23.751
267 H LYS 39 H LYS 39 -7.535 1.594 19.365
268 HA LYS 39 HA LYS 39 -9.197 3.867 20.172
269 HB2 LYS 39 1HB LYS 39 -7.638 3.163 17.739
270 HB3 LYS 39 2HB LYS 39 -9.084 4.139 17.515
271 HG2 LYS 39 1HG LYS 39 -8.237 5.888 18.837
272 HG3 LYS 39 2HG LYS 39 -6.949 4.875 19.493
273 HD2 LYS 39 1HD LYS 39 -7.117 5.422 16.551
274 HD3 LYS 39 2HD LYS 39 -6.377 6.595 17.644
275 HE2 LYS 39 1HE LYS 39 -5.567 3.700 17.383
276 HE3 LYS 39 2HE LYS 39 -4.731 5.060 16.635
277 HZ1 LYS 39 3HZ LYS 39 -4.732 4.181 19.404
278 HZ2 LYS 39 1HZ LYS 39 -4.777 5.855 19.166
279 HZ3 LYS 39 2HZ LYS 39 -3.515 4.941 18.509
280 HA PRO 40 HA PRO 40 -12.883 1.605 19.261
281 HB2 PRO 40 1HB PRO 40 -14.588 3.717 19.183
282 HB3 PRO 40 2HB PRO 40 -13.937 3.062 20.691
283 HG2 PRO 40 1HG PRO 40 -13.047 5.452 19.123
284 HG3 PRO 40 2HG PRO 40 -13.243 5.274 20.876
285 HD2 PRO 40 1HD PRO 40 -10.829 5.129 19.659
286 HD3 PRO 40 2HD PRO 40 -11.218 4.201 21.121
287 H SER 41 H SER 41 -11.391 3.873 17.211
288 HA SER 41 HA SER 41 -13.213 4.248 15.161
289 HB2 SER 41 1HB SER 41 -11.254 4.568 13.689
290 HB3 SER 41 2HB SER 41 -11.052 5.395 15.234
291 HG SER 41 HG SER 41 -10.112 2.836 15.278
292 H GLY 42 H GLY 42 -13.940 3.069 13.463
293 HA2 GLY 42 1HA GLY 42 -13.698 0.225 13.602
294 HA3 GLY 42 2HA GLY 42 -14.564 1.136 12.374
295 HA PRO 43 HA PRO 43 -10.059 -0.185 11.099
296 HB2 PRO 43 1HB PRO 43 -10.148 -2.889 10.872
297 HB3 PRO 43 2HB PRO 43 -9.610 -2.066 12.341
298 HG2 PRO 43 1HG PRO 43 -12.277 -3.274 11.716
299 HG3 PRO 43 2HG PRO 43 -11.329 -3.366 13.212
300 HD2 PRO 43 1HD PRO 43 -13.420 -1.672 12.913
301 HD3 PRO 43 2HD PRO 43 -12.011 -1.282 13.920
302 H SER 44 H SER 44 -13.193 -0.432 10.136
303 HA SER 44 HA SER 44 -13.347 -1.939 7.870
304 HB2 SER 44 1HB SER 44 -15.009 -0.347 7.035
305 HB3 SER 44 2HB SER 44 -15.215 -0.594 8.769
306 HG SER 44 HG SER 44 -13.711 1.370 8.833
307 H SER 45 H SER 45 -11.508 -2.117 6.653
308 HA SER 45 HA SER 45 -9.672 -0.306 5.871
309 HB2 SER 45 1HB SER 45 -9.427 -1.601 3.746
310 HB3 SER 45 2HB SER 45 -9.508 -2.621 5.183
311 HG SER 45 HG SER 45 -11.352 -2.293 3.117
312 H GLY 46 H GLY 46 -12.870 -0.726 4.409
313 HA2 GLY 46 1HA GLY 46 -13.232 1.949 3.745
314 HA3 GLY 46 2HA GLY 46 -12.507 1.180 2.340
Start of MODEL 20
1 H1 GLY 1 H GLY 1 4.452 17.399 -3.879
2 HA2 GLY 1 1HA GLY 1 2.752 15.479 -3.898
3 HA3 GLY 1 2HA GLY 1 2.496 15.978 -5.563
4 H SER 2 H SER 2 3.445 13.417 -4.491
5 HA SER 2 HA SER 2 6.248 13.263 -5.156
6 HB2 SER 2 1HB SER 2 5.107 11.832 -3.405
7 HB3 SER 2 2HB SER 2 4.339 10.958 -4.730
8 HG SER 2 HG SER 2 6.347 10.299 -5.436
9 H SER 3 H SER 3 4.974 14.321 -7.305
10 HA SER 3 HA SER 3 5.052 12.117 -9.259
11 HB2 SER 3 1HB SER 3 3.342 13.203 -10.571
12 HB3 SER 3 2HB SER 3 2.747 13.047 -8.918
13 HG SER 3 HG SER 3 2.752 15.212 -10.258
14 H GLY 4 H GLY 4 6.304 12.402 -11.034
15 HA2 GLY 4 1HA GLY 4 7.091 14.303 -12.591
16 HA3 GLY 4 2HA GLY 4 7.867 14.893 -11.129
17 H SER 5 H SER 5 8.693 12.408 -10.070
18 HA SER 5 HA SER 5 10.549 11.416 -12.123
19 HB2 SER 5 1HB SER 5 11.245 12.255 -9.301
20 HB3 SER 5 2HB SER 5 12.327 11.340 -10.350
21 HG SER 5 HG SER 5 12.878 13.422 -10.683
22 H SER 6 H SER 6 9.191 9.582 -12.309
23 HA SER 6 HA SER 6 9.801 7.523 -10.375
24 HB2 SER 6 1HB SER 6 7.555 6.939 -9.805
25 HB3 SER 6 2HB SER 6 7.708 8.673 -9.522
26 HG SER 6 HG SER 6 6.923 8.642 -11.916
27 H GLY 7 H GLY 7 10.144 5.657 -11.401
28 HA2 GLY 7 1HA GLY 7 8.717 5.116 -13.907
29 HA3 GLY 7 2HA GLY 7 10.474 5.119 -13.936
30 H THR 8 H THR 8 7.721 3.258 -13.459
31 HA THR 8 HA THR 8 7.338 1.120 -12.765
32 HB THR 8 HB THR 8 10.257 0.562 -13.233
33 HG1 THR 8 HG1 THR 8 9.254 0.181 -15.504
34 HG21 THR 8 3HG2 THR 8 8.603 -1.197 -12.415
35 HG22 THR 8 1HG2 THR 8 9.534 -1.596 -13.858
36 HG23 THR 8 2HG2 THR 8 7.855 -1.078 -14.007
37 H GLY 9 H GLY 9 7.795 2.856 -10.654
38 HA2 GLY 9 1HA GLY 9 9.162 1.064 -8.747
39 HA3 GLY 9 2HA GLY 9 9.400 2.804 -8.687
40 H GLU 10 H GLU 10 7.700 0.274 -7.393
41 HA GLU 10 HA GLU 10 5.716 2.118 -6.256
42 HB2 GLU 10 1HB GLU 10 3.945 0.545 -6.472
43 HB3 GLU 10 2HB GLU 10 4.711 0.658 -8.051
44 HG2 GLU 10 1HG GLU 10 6.010 -1.401 -7.467
45 HG3 GLU 10 2HG GLU 10 5.001 -1.546 -6.029
46 H LYS 11 H LYS 11 4.808 1.366 -4.201
47 HA LYS 11 HA LYS 11 6.861 0.002 -2.627
48 HB2 LYS 11 1HB LYS 11 4.638 1.899 -2.001
49 HB3 LYS 11 2HB LYS 11 5.216 0.827 -0.732
50 HG2 LYS 11 1HG LYS 11 6.524 2.664 -0.370
51 HG3 LYS 11 2HG LYS 11 7.563 1.736 -1.454
52 HD2 LYS 11 1HD LYS 11 5.634 3.632 -2.679
53 HD3 LYS 11 2HD LYS 11 7.038 4.311 -1.852
54 HE2 LYS 11 1HE LYS 11 7.492 2.066 -3.742
55 HE3 LYS 11 2HE LYS 11 7.090 3.642 -4.423
56 HZ1 LYS 11 3HZ LYS 11 8.952 4.359 -2.694
57 HZ2 LYS 11 1HZ LYS 11 9.315 3.893 -4.279
58 HZ3 LYS 11 2HZ LYS 11 9.489 2.787 -3.012
59 HA PRO 12 HA PRO 12 4.333 -3.670 -2.696
60 HB2 PRO 12 1HB PRO 12 5.974 -5.157 -1.125
61 HB3 PRO 12 2HB PRO 12 6.306 -4.840 -2.832
62 HG2 PRO 12 1HG PRO 12 7.424 -3.493 -0.403
63 HG3 PRO 12 2HG PRO 12 8.259 -4.013 -1.878
64 HD2 PRO 12 1HD PRO 12 7.536 -1.440 -1.442
65 HD3 PRO 12 2HD PRO 12 7.581 -2.157 -3.066
66 H TYR 13 H TYR 13 5.018 -1.609 -0.107
67 HA TYR 13 HA TYR 13 2.991 -2.955 1.539
68 HB2 TYR 13 1HB TYR 13 5.447 -1.640 2.703
69 HB3 TYR 13 2HB TYR 13 4.232 -2.588 3.554
70 HD1 TYR 13 HD2 TYR 13 4.106 -5.054 3.160
71 HD2 TYR 13 HD1 TYR 13 7.289 -2.683 1.629
72 HE1 TYR 13 HE2 TYR 13 5.452 -7.086 2.829
73 HE2 TYR 13 HE1 TYR 13 8.644 -4.708 1.292
74 HH TYR 13 HH TYR 13 8.577 -6.976 1.213
75 H LYS 14 H LYS 14 1.326 -1.586 1.372
76 HA LYS 14 HA LYS 14 1.807 1.234 2.065
77 HB2 LYS 14 1HB LYS 14 1.402 1.234 -0.290
78 HB3 LYS 14 2HB LYS 14 0.043 0.129 -0.121
79 HG2 LYS 14 1HG LYS 14 -1.285 1.820 0.928
80 HG3 LYS 14 2HG LYS 14 0.093 2.921 1.004
81 HD2 LYS 14 1HD LYS 14 -1.015 3.711 -0.855
82 HD3 LYS 14 2HD LYS 14 0.127 2.584 -1.590
83 HE2 LYS 14 1HE LYS 14 -1.661 0.850 -1.541
84 HE3 LYS 14 2HE LYS 14 -2.782 2.087 -0.974
85 HZ1 LYS 14 3HZ LYS 14 -2.567 3.269 -2.991
86 HZ2 LYS 14 1HZ LYS 14 -2.804 1.651 -3.424
87 HZ3 LYS 14 2HZ LYS 14 -1.257 2.329 -3.504
88 H CYS 15 H CYS 15 0.553 2.015 3.644
89 HA CYS 15 HA CYS 15 -0.952 0.470 5.327
90 HB2 CYS 15 1HB CYS 15 -0.190 3.048 5.359
91 HB3 CYS 15 2HB CYS 15 -1.895 3.263 4.975
92 H ASP 16 H ASP 16 -3.200 0.203 5.692
93 HA ASP 16 HA ASP 16 -4.802 0.379 3.228
94 HB2 ASP 16 1HB ASP 16 -5.008 -1.538 5.558
95 HB3 ASP 16 2HB ASP 16 -6.161 -1.468 4.228
96 H VAL 17 H VAL 17 -4.365 2.293 5.607
97 HA VAL 17 HA VAL 17 -7.229 2.795 6.082
98 HB VAL 17 HB VAL 17 -6.635 2.158 8.210
99 HG11 VAL 17 1HG1 VAL 17 -4.311 1.678 7.789
100 HG12 VAL 17 2HG1 VAL 17 -3.926 3.400 7.744
101 HG13 VAL 17 3HG1 VAL 17 -4.445 2.650 9.254
102 HG21 VAL 17 3HG2 VAL 17 -7.498 4.451 8.263
103 HG22 VAL 17 1HG2 VAL 17 -6.367 4.154 9.583
104 HG23 VAL 17 2HG2 VAL 17 -5.850 5.072 8.168
105 H CYS 18 H CYS 18 -3.993 4.129 5.711
106 HA CYS 18 HA CYS 18 -5.209 6.746 5.111
107 HB2 CYS 18 1HB CYS 18 -3.297 7.850 5.993
108 HB3 CYS 18 2HB CYS 18 -3.754 6.637 7.184
109 H HIS 19 H HIS 19 -3.652 4.112 3.824
110 HA HIS 19 HA HIS 19 -2.758 3.670 1.779
111 HB2 HIS 19 1HB HIS 19 -3.617 6.498 1.133
112 HB3 HIS 19 2HB HIS 19 -3.120 5.286 -0.043
113 HD2 HIS 19 HD2 HIS 19 -5.625 4.343 2.810
114 HE1 HIS 19 HE1 HIS 19 -7.702 4.343 -0.889
115 HE2 HIS 19 HE2 HIS 19 -7.856 3.889 1.584
116 H LYS 20 H LYS 20 -0.952 4.242 3.682
117 HA LYS 20 HA LYS 20 0.938 6.162 2.524
118 HB2 LYS 20 1HB LYS 20 0.515 5.016 5.234
119 HB3 LYS 20 2HB LYS 20 2.169 5.406 4.778
120 HG2 LYS 20 1HG LYS 20 0.003 7.427 4.406
121 HG3 LYS 20 2HG LYS 20 0.718 7.170 5.999
122 HD2 LYS 20 1HD LYS 20 2.375 7.699 3.544
123 HD3 LYS 20 2HD LYS 20 1.754 8.995 4.569
124 HE2 LYS 20 1HE LYS 20 2.863 7.767 6.507
125 HE3 LYS 20 2HE LYS 20 3.701 6.818 5.279
126 HZ1 LYS 20 3HZ LYS 20 3.778 9.778 5.324
127 HZ2 LYS 20 1HZ LYS 20 4.783 8.721 4.466
128 HZ3 LYS 20 2HZ LYS 20 4.909 8.829 6.149
129 H SER 21 H SER 21 2.159 5.258 0.989
130 HA SER 21 HA SER 21 2.784 2.515 0.820
131 HB2 SER 21 1HB SER 21 4.638 3.469 -0.781
132 HB3 SER 21 2HB SER 21 2.937 3.591 -1.230
133 HG SER 21 HG SER 21 4.499 5.618 0.002
134 H PHE 22 H PHE 22 4.868 1.496 0.999
135 HA PHE 22 HA PHE 22 6.938 2.826 2.516
136 HB2 PHE 22 1HB PHE 22 5.375 0.518 3.686
137 HB3 PHE 22 2HB PHE 22 6.924 1.074 4.312
138 HD1 PHE 22 HD1 PHE 22 7.110 3.306 5.343
139 HD2 PHE 22 HD2 PHE 22 3.361 1.687 4.143
140 HE1 PHE 22 HE1 PHE 22 5.950 4.963 6.743
141 HE2 PHE 22 HE2 PHE 22 2.195 3.342 5.540
142 HZ PHE 22 HZ PHE 22 3.490 4.984 6.842
143 H ARG 23 H ARG 23 8.559 2.343 1.165
144 HA ARG 23 HA ARG 23 8.878 0.287 -0.568
145 HB2 ARG 23 1HB ARG 23 10.442 2.197 -0.314
146 HB3 ARG 23 2HB ARG 23 11.100 1.437 1.129
147 HG2 ARG 23 1HG ARG 23 11.781 -0.499 -0.250
148 HG3 ARG 23 2HG ARG 23 11.215 0.365 -1.681
149 HD2 ARG 23 1HD ARG 23 13.155 1.696 0.150
150 HD3 ARG 23 2HD ARG 23 13.737 0.456 -0.960
151 HE ARG 23 HE ARG 23 12.248 2.151 -2.510
152 HH11 ARG 23 1HH1 ARG 23 15.001 2.476 -0.404
153 HH12 ARG 23 2HH1 ARG 23 15.682 3.803 -1.285
154 HH21 ARG 23 1HH2 ARG 23 13.135 3.898 -3.678
155 HH22 ARG 23 2HH2 ARG 23 14.620 4.612 -3.146
156 H TYR 24 H TYR 24 9.382 0.182 2.901
157 HA TYR 24 HA TYR 24 10.010 -2.689 2.683
158 HB2 TYR 24 1HB TYR 24 10.659 -0.827 4.976
159 HB3 TYR 24 2HB TYR 24 11.140 -2.513 4.829
160 HD1 TYR 24 HD2 TYR 24 11.582 0.841 3.304
161 HD2 TYR 24 HD1 TYR 24 13.120 -3.106 3.705
162 HE1 TYR 24 HE2 TYR 24 13.650 1.538 2.168
163 HE2 TYR 24 HE1 TYR 24 15.192 -2.420 2.572
164 HH TYR 24 HH TYR 24 16.035 0.795 2.069
165 H GLY 25 H GLY 25 9.000 -4.140 4.116
166 HA2 GLY 25 1HA GLY 25 6.284 -3.523 4.701
167 HA3 GLY 25 2HA GLY 25 7.126 -5.003 5.136
168 H SER 26 H SER 26 9.167 -3.898 6.722
169 HA SER 26 HA SER 26 7.940 -3.805 9.219
170 HB2 SER 26 1HB SER 26 10.139 -3.013 10.063
171 HB3 SER 26 2HB SER 26 10.291 -4.389 8.971
172 HG SER 26 HG SER 26 11.802 -2.737 8.491
173 H SER 27 H SER 27 9.124 -1.156 7.179
174 HA SER 27 HA SER 27 8.695 0.972 8.898
175 HB2 SER 27 1HB SER 27 8.285 0.953 5.898
176 HB3 SER 27 2HB SER 27 8.563 2.380 6.897
177 HG SER 27 HG SER 27 10.628 1.843 7.128
178 H LEU 28 H LEU 28 6.425 -0.468 6.572
179 HA LEU 28 HA LEU 28 4.264 1.201 6.904
180 HB2 LEU 28 1HB LEU 28 4.155 -0.467 5.242
181 HB3 LEU 28 2HB LEU 28 4.418 -1.758 6.413
182 HG LEU 28 HG LEU 28 2.174 -1.352 7.337
183 HD11 LEU 28 1HD1 LEU 28 1.001 0.474 6.882
184 HD12 LEU 28 2HD1 LEU 28 1.114 0.177 5.148
185 HD13 LEU 28 3HD1 LEU 28 2.385 1.080 5.972
186 HD21 LEU 28 3HD2 LEU 28 2.547 -2.029 4.450
187 HD22 LEU 28 1HD2 LEU 28 0.928 -1.994 5.148
188 HD23 LEU 28 2HD2 LEU 28 2.149 -3.083 5.808
189 H THR 29 H THR 29 4.670 -1.899 8.628
190 HA THR 29 HA THR 29 2.602 -1.635 10.427
191 HB THR 29 HB THR 29 5.289 -2.933 10.917
192 HG1 THR 29 HG1 THR 29 2.951 -3.693 9.590
193 HG21 THR 29 3HG2 THR 29 3.622 -2.376 12.892
194 HG22 THR 29 1HG2 THR 29 4.464 -3.923 12.814
195 HG23 THR 29 2HG2 THR 29 2.788 -3.803 12.279
196 H VAL 30 H VAL 30 6.012 -0.768 11.028
197 HA VAL 30 HA VAL 30 5.757 0.308 13.548
198 HB VAL 30 HB VAL 30 7.559 1.281 11.327
199 HG11 VAL 30 1HG1 VAL 30 8.967 2.178 13.124
200 HG12 VAL 30 2HG1 VAL 30 7.377 2.944 13.095
201 HG13 VAL 30 3HG1 VAL 30 7.744 1.715 14.306
202 HG21 VAL 30 3HG2 VAL 30 9.052 -0.160 13.153
203 HG22 VAL 30 1HG2 VAL 30 7.556 -1.084 13.011
204 HG23 VAL 30 2HG2 VAL 30 8.510 -0.723 11.572
205 H HIS 31 H HIS 31 4.575 1.556 10.573
206 HA HIS 31 HA HIS 31 4.239 4.254 11.614
207 HB2 HIS 31 1HB HIS 31 4.713 4.497 9.392
208 HB3 HIS 31 2HB HIS 31 3.989 2.951 8.958
209 HD1 HIS 31 HD1 HIS 31 3.297 6.562 9.115
210 HD2 HIS 31 HD2 HIS 31 1.136 3.047 8.633
211 HE1 HIS 31 HE1 HIS 31 1.047 7.271 8.245
212 H GLN 32 H GLN 32 2.230 1.526 10.561
213 HA GLN 32 HA GLN 32 -0.279 2.632 10.887
214 HB2 GLN 32 1HB GLN 32 0.511 -0.204 11.569
215 HB3 GLN 32 2HB GLN 32 -1.107 0.361 11.177
216 HG2 GLN 32 1HG GLN 32 -0.171 1.057 8.931
217 HG3 GLN 32 2HG GLN 32 1.269 0.136 9.359
218 HE21 GLN 32 1HE2 GLN 32 -1.974 0.010 8.276
219 HE22 GLN 32 2HE2 GLN 32 -2.080 -1.703 8.076
220 H ARG 33 H ARG 33 2.068 2.065 13.260
221 HA ARG 33 HA ARG 33 0.733 1.366 15.539
222 HB2 ARG 33 1HB ARG 33 2.889 3.458 15.211
223 HB3 ARG 33 2HB ARG 33 2.365 2.821 16.764
224 HG2 ARG 33 1HG ARG 33 2.940 0.516 15.745
225 HG3 ARG 33 2HG ARG 33 3.870 1.454 14.576
226 HD2 ARG 33 1HD ARG 33 4.205 1.955 17.503
227 HD3 ARG 33 2HD ARG 33 5.011 0.580 16.748
228 HE ARG 33 HE ARG 33 5.739 2.579 15.133
229 HH11 ARG 33 1HH1 ARG 33 5.720 2.320 18.605
230 HH12 ARG 33 2HH1 ARG 33 7.069 3.385 18.822
231 HH21 ARG 33 1HH2 ARG 33 7.515 3.983 15.406
232 HH22 ARG 33 2HH2 ARG 33 8.089 4.332 17.002
233 H ILE 34 H ILE 34 0.736 4.501 13.933
234 HA ILE 34 HA ILE 34 -0.637 5.915 15.969
235 HB ILE 34 HB ILE 34 -0.767 7.705 14.504
236 HG12 ILE 34 1HG1 ILE 34 -2.106 6.407 12.800
237 HG13 ILE 34 2HG1 ILE 34 -0.985 7.585 12.127
238 HG21 ILE 34 1HG2 ILE 34 1.465 6.170 13.204
239 HG22 ILE 34 2HG2 ILE 34 1.355 7.904 13.504
240 HG23 ILE 34 3HG2 ILE 34 1.575 6.788 14.852
241 HD11 ILE 34 3HD1 ILE 34 -1.077 5.372 10.958
242 HD12 ILE 34 1HD1 ILE 34 0.529 5.895 11.466
243 HD13 ILE 34 2HD1 ILE 34 -0.334 4.666 12.393
244 H HIS 35 H HIS 35 -1.674 3.841 13.376
245 HA HIS 35 HA HIS 35 -4.429 4.664 13.472
246 HB2 HIS 35 1HB HIS 35 -3.071 2.303 12.161
247 HB3 HIS 35 2HB HIS 35 -4.787 2.666 11.998
248 HD1 HIS 35 HD1 HIS 35 -4.868 5.567 11.366
249 HD2 HIS 35 HD2 HIS 35 -1.922 3.064 9.843
250 HE1 HIS 35 HE1 HIS 35 -4.003 6.722 9.306
251 H THR 36 H THR 36 -2.437 2.518 15.235
252 HA THR 36 HA THR 36 -4.811 1.225 16.412
253 HB THR 36 HB THR 36 -3.267 -0.361 15.303
254 HG1 THR 36 HG1 THR 36 -3.458 -0.507 18.142
255 HG21 THR 36 3HG2 THR 36 -1.248 1.179 16.172
256 HG22 THR 36 1HG2 THR 36 -1.045 -0.522 15.753
257 HG23 THR 36 2HG2 THR 36 -1.242 -0.047 17.440
258 H GLY 37 H GLY 37 -4.851 0.911 18.688
259 HA2 GLY 37 1HA GLY 37 -4.130 1.266 20.895
260 HA3 GLY 37 2HA GLY 37 -2.816 2.260 20.283
261 H GLU 38 H GLU 38 -3.696 4.315 19.093
262 HA GLU 38 HA GLU 38 -5.426 5.648 21.028
263 HB2 GLU 38 1HB GLU 38 -3.265 6.683 20.435
264 HB3 GLU 38 2HB GLU 38 -3.791 6.803 18.763
265 HG2 GLU 38 1HG GLU 38 -4.012 8.931 19.897
266 HG3 GLU 38 2HG GLU 38 -5.590 8.305 19.424
267 H LYS 39 H LYS 39 -7.394 6.486 20.568
268 HA LYS 39 HA LYS 39 -8.808 5.491 18.317
269 HB2 LYS 39 1HB LYS 39 -9.971 5.875 20.398
270 HB3 LYS 39 2HB LYS 39 -9.538 7.580 20.375
271 HG2 LYS 39 1HG LYS 39 -10.948 7.964 18.465
272 HG3 LYS 39 2HG LYS 39 -11.295 6.238 18.330
273 HD2 LYS 39 1HD LYS 39 -12.500 6.243 20.387
274 HD3 LYS 39 2HD LYS 39 -11.963 7.881 20.767
275 HE2 LYS 39 1HE LYS 39 -13.583 7.271 18.313
276 HE3 LYS 39 2HE LYS 39 -14.343 7.582 19.873
277 HZ1 LYS 39 3HZ LYS 39 -12.422 9.575 19.351
278 HZ2 LYS 39 1HZ LYS 39 -14.093 9.744 19.554
279 HZ3 LYS 39 2HZ LYS 39 -13.454 9.446 18.016
280 HA PRO 40 HA PRO 40 -7.463 8.705 15.512
281 HB2 PRO 40 1HB PRO 40 -8.766 7.709 13.348
282 HB3 PRO 40 2HB PRO 40 -7.241 7.042 13.942
283 HG2 PRO 40 1HG PRO 40 -10.036 6.067 14.387
284 HG3 PRO 40 2HG PRO 40 -8.572 5.137 14.015
285 HD2 PRO 40 1HD PRO 40 -9.572 5.339 16.524
286 HD3 PRO 40 2HD PRO 40 -7.833 5.188 16.198
287 H SER 41 H SER 41 -10.825 7.509 15.387
288 HA SER 41 HA SER 41 -11.921 10.083 15.922
289 HB2 SER 41 1HB SER 41 -11.821 9.109 13.083
290 HB3 SER 41 2HB SER 41 -13.169 10.105 13.631
291 HG SER 41 HG SER 41 -10.589 10.808 13.082
292 H GLY 42 H GLY 42 -14.273 10.062 15.979
293 HA2 GLY 42 1HA GLY 42 -15.310 7.313 16.292
294 HA3 GLY 42 2HA GLY 42 -15.822 8.677 17.275
295 HA PRO 43 HA PRO 43 -18.677 7.981 13.569
296 HB2 PRO 43 1HB PRO 43 -20.868 7.201 14.970
297 HB3 PRO 43 2HB PRO 43 -19.657 6.063 14.369
298 HG2 PRO 43 1HG PRO 43 -19.977 7.215 17.114
299 HG3 PRO 43 2HG PRO 43 -19.608 5.547 16.636
300 HD2 PRO 43 1HD PRO 43 -17.703 7.273 17.487
301 HD3 PRO 43 2HD PRO 43 -17.377 6.006 16.286
302 H SER 44 H SER 44 -19.396 9.904 12.925
303 HA SER 44 HA SER 44 -19.948 12.058 14.653
304 HB2 SER 44 1HB SER 44 -20.789 11.694 11.767
305 HB3 SER 44 2HB SER 44 -20.748 13.223 12.646
306 HG SER 44 HG SER 44 -18.433 11.637 12.463
307 H SER 45 H SER 45 -21.930 13.126 15.091
308 HA SER 45 HA SER 45 -24.448 11.948 14.430
309 HB2 SER 45 1HB SER 45 -25.102 11.364 16.756
310 HB3 SER 45 2HB SER 45 -23.799 10.346 16.143
311 HG SER 45 HG SER 45 -23.713 12.384 18.072
312 H GLY 46 H GLY 46 -26.268 13.127 15.407
313 HA2 GLY 46 1HA GLY 46 -26.218 15.805 15.121
314 HA3 GLY 46 2HA GLY 46 -27.291 15.019 16.269