NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504501 |
2em6   |
10197 | 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 -14.568 -15.706 -20.232
2 HA2 GLY 1 1HA GLY 1 -12.964 -18.031 -21.069
3 HA3 GLY 1 2HA GLY 1 -12.542 -16.923 -19.772
4 H SER 2 H SER 2 -13.145 -17.390 -17.732
5 HA SER 2 HA SER 2 -14.372 -19.974 -17.274
6 HB2 SER 2 1HB SER 2 -13.664 -19.741 -15.006
7 HB3 SER 2 2HB SER 2 -12.354 -19.104 -16.001
8 HG SER 2 HG SER 2 -12.799 -17.107 -15.347
9 H SER 3 H SER 3 -16.163 -18.203 -18.433
10 HA SER 3 HA SER 3 -17.771 -16.669 -16.817
11 HB2 SER 3 1HB SER 3 -19.448 -16.862 -18.461
12 HB3 SER 3 2HB SER 3 -17.946 -17.116 -19.349
13 HG SER 3 HG SER 3 -18.782 -18.943 -19.930
14 H GLY 4 H GLY 4 -20.095 -17.258 -16.171
15 HA2 GLY 4 1HA GLY 4 -20.997 -19.764 -15.525
16 HA3 GLY 4 2HA GLY 4 -19.927 -19.332 -14.199
17 H SER 5 H SER 5 -21.765 -19.434 -12.801
18 HA SER 5 HA SER 5 -23.378 -16.976 -12.910
19 HB2 SER 5 1HB SER 5 -24.402 -19.707 -12.095
20 HB3 SER 5 2HB SER 5 -25.331 -18.208 -12.099
21 HG SER 5 HG SER 5 -25.774 -19.289 -13.991
22 H SER 6 H SER 6 -21.618 -16.272 -11.459
23 HA SER 6 HA SER 6 -22.391 -16.705 -8.699
24 HB2 SER 6 1HB SER 6 -19.684 -17.480 -9.774
25 HB3 SER 6 2HB SER 6 -19.920 -17.057 -8.078
26 HG SER 6 HG SER 6 -21.619 -18.947 -9.263
27 H GLY 7 H GLY 7 -22.515 -14.765 -7.798
28 HA2 GLY 7 1HA GLY 7 -20.758 -12.631 -8.840
29 HA3 GLY 7 2HA GLY 7 -22.374 -12.358 -8.206
30 H MET 8 H MET 8 -21.326 -10.746 -6.850
31 HA MET 8 HA MET 8 -20.286 -9.997 -4.955
32 HB2 MET 8 1HB MET 8 -21.569 -12.542 -3.948
33 HB3 MET 8 2HB MET 8 -20.932 -11.273 -2.910
34 HG2 MET 8 1HG MET 8 -22.535 -9.692 -3.883
35 HG3 MET 8 2HG MET 8 -23.189 -10.990 -4.880
36 HE1 MET 8 3HE MET 8 -22.845 -10.832 -0.468
37 HE2 MET 8 1HE MET 8 -22.393 -9.588 -1.634
38 HE3 MET 8 2HE MET 8 -23.996 -9.565 -0.898
39 H GLY 9 H GLY 9 -18.474 -11.299 -6.604
40 HA2 GLY 9 1HA GLY 9 -16.853 -12.916 -4.749
41 HA3 GLY 9 2HA GLY 9 -16.697 -12.926 -6.499
42 H GLU 10 H GLU 10 -15.873 -11.284 -3.549
43 HA GLU 10 HA GLU 10 -14.605 -9.034 -4.731
44 HB2 GLU 10 1HB GLU 10 -13.681 -8.617 -2.533
45 HB3 GLU 10 2HB GLU 10 -15.366 -9.094 -2.377
46 HG2 GLU 10 1HG GLU 10 -14.534 -11.428 -1.908
47 HG3 GLU 10 2HG GLU 10 -12.920 -10.730 -1.784
48 H LYS 11 H LYS 11 -12.173 -8.655 -4.148
49 HA LYS 11 HA LYS 11 -10.632 -11.049 -4.899
50 HB2 LYS 11 1HB LYS 11 -10.400 -8.251 -6.006
51 HB3 LYS 11 2HB LYS 11 -9.140 -9.462 -6.202
52 HG2 LYS 11 1HG LYS 11 -10.770 -10.923 -7.345
53 HG3 LYS 11 2HG LYS 11 -11.968 -9.632 -7.222
54 HD2 LYS 11 1HD LYS 11 -11.164 -9.194 -9.312
55 HD3 LYS 11 2HD LYS 11 -10.031 -8.229 -8.363
56 HE2 LYS 11 1HE LYS 11 -9.360 -11.078 -8.892
57 HE3 LYS 11 2HE LYS 11 -9.208 -9.927 -10.219
58 HZ1 LYS 11 3HZ LYS 11 -7.327 -10.407 -8.330
59 HZ2 LYS 11 1HZ LYS 11 -8.053 -8.989 -7.762
60 HZ3 LYS 11 2HZ LYS 11 -7.392 -9.035 -9.318
61 H CYS 12 H CYS 12 -8.460 -11.116 -4.162
62 HA CYS 12 HA CYS 12 -8.084 -9.706 -1.650
63 HB2 CYS 12 1HB CYS 12 -6.813 -12.070 -2.970
64 HB3 CYS 12 2HB CYS 12 -5.928 -11.223 -1.708
65 HG CYS 12 HG CYS 12 -9.088 -12.010 -0.903
66 H TYR 13 H TYR 13 -7.766 -7.604 -2.633
67 HA TYR 13 HA TYR 13 -5.849 -6.898 -4.478
68 HB2 TYR 13 1HB TYR 13 -7.123 -5.483 -2.181
69 HB3 TYR 13 2HB TYR 13 -5.742 -4.721 -2.963
70 HD1 TYR 13 HD2 TYR 13 -5.867 -4.267 -5.452
71 HD2 TYR 13 HD1 TYR 13 -9.265 -5.395 -3.153
72 HE1 TYR 13 HE2 TYR 13 -7.342 -3.396 -7.217
73 HE2 TYR 13 HE1 TYR 13 -10.750 -4.529 -4.912
74 HH TYR 13 HH TYR 13 -10.162 -2.502 -6.983
75 H LYS 14 H LYS 14 -3.901 -7.922 -4.349
76 HA LYS 14 HA LYS 14 -2.347 -7.626 -1.876
77 HB2 LYS 14 1HB LYS 14 -2.500 -9.906 -2.649
78 HB3 LYS 14 2HB LYS 14 -1.984 -9.441 -4.265
79 HG2 LYS 14 1HG LYS 14 0.201 -8.738 -3.276
80 HG3 LYS 14 2HG LYS 14 -0.334 -9.444 -1.750
81 HD2 LYS 14 1HD LYS 14 -0.778 -11.562 -3.199
82 HD3 LYS 14 2HD LYS 14 0.334 -10.794 -4.334
83 HE2 LYS 14 1HE LYS 14 2.122 -10.923 -2.866
84 HE3 LYS 14 2HE LYS 14 1.080 -11.060 -1.451
85 HZ1 LYS 14 3HZ LYS 14 0.528 -13.290 -2.054
86 HZ2 LYS 14 1HZ LYS 14 2.214 -13.151 -2.060
87 HZ3 LYS 14 2HZ LYS 14 1.362 -13.168 -3.521
88 H CYS 15 H CYS 15 -0.202 -6.849 -1.934
89 HA CYS 15 HA CYS 15 0.254 -4.907 -4.065
90 HB2 CYS 15 1HB CYS 15 0.436 -4.018 -1.841
91 HB3 CYS 15 2HB CYS 15 1.538 -5.304 -1.359
92 H ASP 16 H ASP 16 1.661 -5.233 -5.650
93 HA ASP 16 HA ASP 16 3.412 -7.566 -5.529
94 HB2 ASP 16 1HB ASP 16 3.118 -5.767 -7.918
95 HB3 ASP 16 2HB ASP 16 3.520 -7.481 -7.867
96 H VAL 17 H VAL 17 4.205 -5.529 -3.834
97 HA VAL 17 HA VAL 17 6.714 -4.685 -5.114
98 HB VAL 17 HB VAL 17 5.085 -2.958 -3.245
99 HG11 VAL 17 1HG1 VAL 17 6.963 -1.356 -4.409
100 HG12 VAL 17 2HG1 VAL 17 7.099 -2.077 -2.804
101 HG13 VAL 17 3HG1 VAL 17 7.853 -2.863 -4.192
102 HG21 VAL 17 3HG2 VAL 17 5.666 -1.958 -5.930
103 HG22 VAL 17 1HG2 VAL 17 4.613 -3.373 -5.908
104 HG23 VAL 17 2HG2 VAL 17 4.163 -1.924 -5.007
105 H CYS 18 H CYS 18 5.022 -4.936 -1.986
106 HA CYS 18 HA CYS 18 7.573 -5.775 -0.775
107 HB2 CYS 18 1HB CYS 18 6.710 -4.969 1.355
108 HB3 CYS 18 2HB CYS 18 6.640 -3.684 0.154
109 H GLY 19 H GLY 19 4.098 -6.416 -0.919
110 HA2 GLY 19 1HA GLY 19 3.488 -8.802 -1.107
111 HA3 GLY 19 2HA GLY 19 4.654 -9.106 0.172
112 H LYS 20 H LYS 20 1.973 -6.797 -0.272
113 HA LYS 20 HA LYS 20 0.968 -7.632 2.370
114 HB2 LYS 20 1HB LYS 20 1.820 -5.198 1.920
115 HB3 LYS 20 2HB LYS 20 0.266 -5.000 1.121
116 HG2 LYS 20 1HG LYS 20 -0.922 -5.207 3.079
117 HG3 LYS 20 2HG LYS 20 0.360 -6.113 3.886
118 HD2 LYS 20 1HD LYS 20 1.654 -4.170 4.228
119 HD3 LYS 20 2HD LYS 20 0.686 -3.231 3.090
120 HE2 LYS 20 1HE LYS 20 -1.040 -2.950 4.582
121 HE3 LYS 20 2HE LYS 20 -0.643 -4.413 5.481
122 HZ1 LYS 20 3HZ LYS 20 -0.141 -2.344 6.696
123 HZ2 LYS 20 1HZ LYS 20 0.995 -1.938 5.509
124 HZ3 LYS 20 2HZ LYS 20 1.224 -3.315 6.464
125 H GLU 21 H GLU 21 -1.466 -7.076 2.589
126 HA GLU 21 HA GLU 21 -2.972 -7.440 0.133
127 HB2 GLU 21 1HB GLU 21 -2.617 -9.555 2.190
128 HB3 GLU 21 2HB GLU 21 -4.230 -9.349 1.522
129 HG2 GLU 21 1HG GLU 21 -3.141 -9.517 -0.764
130 HG3 GLU 21 2HG GLU 21 -1.700 -10.075 0.084
131 H PHE 22 H PHE 22 -4.913 -6.465 0.217
132 HA PHE 22 HA PHE 22 -5.955 -5.684 2.857
133 HB2 PHE 22 1HB PHE 22 -6.075 -3.928 0.403
134 HB3 PHE 22 2HB PHE 22 -6.515 -3.497 2.052
135 HD1 PHE 22 HD1 PHE 22 -3.623 -4.528 -0.038
136 HD2 PHE 22 HD2 PHE 22 -4.963 -2.493 3.452
137 HE1 PHE 22 HE1 PHE 22 -1.341 -3.692 0.346
138 HE2 PHE 22 HE2 PHE 22 -2.683 -1.653 3.841
139 HZ PHE 22 HZ PHE 22 -0.869 -2.251 2.287
140 H SER 23 H SER 23 -8.297 -4.830 2.590
141 HA SER 23 HA SER 23 -9.755 -6.888 1.119
142 HB2 SER 23 1HB SER 23 -10.312 -6.597 3.484
143 HB3 SER 23 2HB SER 23 -10.702 -4.901 3.199
144 HG SER 23 HG SER 23 -12.542 -5.460 2.278
145 H GLN 24 H GLN 24 -9.715 -3.359 1.503
146 HA GLN 24 HA GLN 24 -11.452 -3.095 -0.839
147 HB2 GLN 24 1HB GLN 24 -10.644 -1.235 1.373
148 HB3 GLN 24 2HB GLN 24 -11.300 -0.597 -0.129
149 HG2 GLN 24 1HG GLN 24 -13.098 -0.776 1.389
150 HG3 GLN 24 2HG GLN 24 -13.287 -2.079 0.217
151 HE21 GLN 24 1HE2 GLN 24 -14.520 -3.342 1.574
152 HE22 GLN 24 2HE2 GLN 24 -13.868 -4.136 2.962
153 H SER 25 H SER 25 -10.854 -1.968 -2.674
154 HA SER 25 HA SER 25 -8.224 -2.184 -3.542
155 HB2 SER 25 1HB SER 25 -10.208 -1.944 -5.031
156 HB3 SER 25 2HB SER 25 -10.300 -0.241 -4.584
157 HG SER 25 HG SER 25 -8.543 -1.539 -6.275
158 H SER 26 H SER 26 -9.952 0.689 -2.362
159 HA SER 26 HA SER 26 -8.009 2.604 -2.702
160 HB2 SER 26 1HB SER 26 -9.857 2.361 -0.316
161 HB3 SER 26 2HB SER 26 -9.064 3.834 -0.872
162 HG SER 26 HG SER 26 -10.354 3.877 -2.634
163 H HIS 27 H HIS 27 -8.499 0.642 0.237
164 HA HIS 27 HA HIS 27 -6.495 1.465 1.837
165 HB2 HIS 27 1HB HIS 27 -7.497 -1.310 1.270
166 HB3 HIS 27 2HB HIS 27 -6.203 -1.048 2.436
167 HD1 HIS 27 HD1 HIS 27 -7.593 -1.723 4.465
168 HD2 HIS 27 HD2 HIS 27 -9.265 1.388 2.277
169 HE1 HIS 27 HE1 HIS 27 -9.452 -0.816 5.896
170 H LEU 28 H LEU 28 -6.050 -1.025 -0.679
171 HA LEU 28 HA LEU 28 -3.283 -1.292 -0.389
172 HB2 LEU 28 1HB LEU 28 -4.502 -2.936 -1.601
173 HB3 LEU 28 2HB LEU 28 -5.098 -1.737 -2.747
174 HG LEU 28 HG LEU 28 -2.746 -1.460 -3.555
175 HD11 LEU 28 1HD1 LEU 28 -2.031 -2.744 -1.278
176 HD12 LEU 28 2HD1 LEU 28 -1.007 -2.595 -2.706
177 HD13 LEU 28 3HD1 LEU 28 -1.954 -4.060 -2.449
178 HD21 LEU 28 3HD2 LEU 28 -4.626 -3.493 -4.085
179 HD22 LEU 28 1HD2 LEU 28 -3.031 -4.244 -4.126
180 HD23 LEU 28 2HD2 LEU 28 -3.379 -2.857 -5.158
181 H GLN 29 H GLN 29 -5.128 0.685 -2.708
182 HA GLN 29 HA GLN 29 -3.075 1.831 -4.116
183 HB2 GLN 29 1HB GLN 29 -5.736 2.927 -3.248
184 HB3 GLN 29 2HB GLN 29 -4.631 3.889 -4.221
185 HG2 GLN 29 1HG GLN 29 -4.635 1.701 -5.713
186 HG3 GLN 29 2HG GLN 29 -6.209 1.490 -4.947
187 HE21 GLN 29 1HE2 GLN 29 -6.905 1.707 -7.218
188 HE22 GLN 29 2HE2 GLN 29 -7.201 3.295 -7.831
189 H THR 30 H THR 30 -4.438 2.968 -1.038
190 HA THR 30 HA THR 30 -2.793 5.224 -0.749
191 HB THR 30 HB THR 30 -4.002 3.549 1.459
192 HG1 THR 30 HG1 THR 30 -5.320 4.670 -0.382
193 HG21 THR 30 3HG2 THR 30 -3.567 5.253 2.922
194 HG22 THR 30 1HG2 THR 30 -3.587 6.487 1.663
195 HG23 THR 30 2HG2 THR 30 -2.181 5.438 1.848
196 H HIS 31 H HIS 31 -2.386 1.879 0.342
197 HA HIS 31 HA HIS 31 -0.058 2.243 1.854
198 HB2 HIS 31 1HB HIS 31 -1.054 0.171 2.176
199 HB3 HIS 31 2HB HIS 31 -1.295 -0.096 0.452
200 HD1 HIS 31 HD1 HIS 31 1.391 -0.237 3.093
201 HD2 HIS 31 HD2 HIS 31 0.731 -1.459 -0.823
202 HE1 HIS 31 HE1 HIS 31 3.317 -1.751 2.527
203 H GLN 32 H GLN 32 -0.400 1.191 -1.535
204 HA GLN 32 HA GLN 32 2.161 0.820 -2.298
205 HB2 GLN 32 1HB GLN 32 0.031 2.328 -3.821
206 HB3 GLN 32 2HB GLN 32 1.529 1.743 -4.535
207 HG2 GLN 32 1HG GLN 32 -0.358 -0.114 -3.136
208 HG3 GLN 32 2HG GLN 32 -0.589 0.338 -4.824
209 HE21 GLN 32 1HE2 GLN 32 -0.056 -1.416 -5.937
210 HE22 GLN 32 2HE2 GLN 32 1.432 -2.282 -5.794
211 H ARG 33 H ARG 33 0.627 3.925 -1.682
212 HA ARG 33 HA ARG 33 2.382 5.720 -2.736
213 HB2 ARG 33 1HB ARG 33 1.081 5.841 -0.009
214 HB3 ARG 33 2HB ARG 33 1.822 7.211 -0.826
215 HG2 ARG 33 1HG ARG 33 0.150 6.538 -2.746
216 HG3 ARG 33 2HG ARG 33 -0.732 5.812 -1.400
217 HD2 ARG 33 1HD ARG 33 -0.318 8.128 -0.264
218 HD3 ARG 33 2HD ARG 33 -0.084 8.680 -1.922
219 HE ARG 33 HE ARG 33 -2.512 7.178 -1.448
220 HH11 ARG 33 1HH1 ARG 33 -1.003 10.312 -1.601
221 HH12 ARG 33 2HH1 ARG 33 -2.491 11.160 -1.863
222 HH21 ARG 33 1HH2 ARG 33 -4.477 8.283 -1.792
223 HH22 ARG 33 2HH2 ARG 33 -4.467 10.005 -1.971
224 H VAL 34 H VAL 34 2.768 3.941 0.305
225 HA VAL 34 HA VAL 34 5.023 5.108 1.338
226 HB VAL 34 HB VAL 34 5.561 2.973 2.388
227 HG11 VAL 34 1HG1 VAL 34 2.808 4.037 2.319
228 HG12 VAL 34 2HG1 VAL 34 3.016 2.455 3.073
229 HG13 VAL 34 3HG1 VAL 34 3.919 3.846 3.674
230 HG21 VAL 34 3HG2 VAL 34 5.323 1.186 1.042
231 HG22 VAL 34 1HG2 VAL 34 3.676 1.157 1.672
232 HG23 VAL 34 2HG2 VAL 34 4.014 1.925 0.121
233 H HIS 35 H HIS 35 4.790 2.853 -1.346
234 HA HIS 35 HA HIS 35 7.657 2.587 -1.594
235 HB2 HIS 35 1HB HIS 35 5.544 1.720 -3.571
236 HB3 HIS 35 2HB HIS 35 7.200 1.132 -3.449
237 HD1 HIS 35 HD1 HIS 35 7.485 0.320 -0.606
238 HD2 HIS 35 HD2 HIS 35 3.970 -0.301 -2.732
239 HE1 HIS 35 HE1 HIS 35 6.295 -1.544 0.592
240 H THR 36 H THR 36 5.095 4.488 -3.003
241 HA THR 36 HA THR 36 7.056 5.759 -4.801
242 HB THR 36 HB THR 36 5.253 4.739 -6.066
243 HG1 THR 36 HG1 THR 36 6.022 6.770 -6.807
244 HG21 THR 36 3HG2 THR 36 3.292 6.547 -4.681
245 HG22 THR 36 1HG2 THR 36 3.609 4.910 -4.108
246 HG23 THR 36 2HG2 THR 36 2.967 5.168 -5.731
247 H GLY 37 H GLY 37 7.804 7.540 -3.823
248 HA2 GLY 37 1HA GLY 37 5.813 9.378 -2.646
249 HA3 GLY 37 2HA GLY 37 7.385 9.111 -1.909
250 H GLU 38 H GLU 38 9.208 10.078 -2.781
251 HA GLU 38 HA GLU 38 8.649 12.139 -4.810
252 HB2 GLU 38 1HB GLU 38 10.474 13.435 -3.816
253 HB3 GLU 38 2HB GLU 38 9.234 13.067 -2.625
254 HG2 GLU 38 1HG GLU 38 11.702 11.390 -2.911
255 HG3 GLU 38 2HG GLU 38 11.663 12.839 -1.909
256 H LYS 39 H LYS 39 9.231 9.579 -5.675
257 HA LYS 39 HA LYS 39 10.677 8.320 -6.921
258 HB2 LYS 39 1HB LYS 39 11.459 11.112 -7.773
259 HB3 LYS 39 2HB LYS 39 11.943 9.649 -8.620
260 HG2 LYS 39 1HG LYS 39 9.343 9.216 -8.645
261 HG3 LYS 39 2HG LYS 39 9.289 10.972 -8.475
262 HD2 LYS 39 1HD LYS 39 10.630 11.240 -10.472
263 HD3 LYS 39 2HD LYS 39 10.820 9.491 -10.614
264 HE2 LYS 39 1HE LYS 39 9.130 10.111 -12.152
265 HE3 LYS 39 2HE LYS 39 8.310 9.350 -10.789
266 HZ1 LYS 39 3HZ LYS 39 7.123 11.311 -11.410
267 HZ2 LYS 39 1HZ LYS 39 8.522 12.260 -11.336
268 HZ3 LYS 39 2HZ LYS 39 7.868 11.605 -9.920
269 HA PRO 40 HA PRO 40 14.266 9.252 -3.992
270 HB2 PRO 40 1HB PRO 40 13.948 7.080 -2.395
271 HB3 PRO 40 2HB PRO 40 13.158 8.629 -2.078
272 HG2 PRO 40 1HG PRO 40 12.048 6.166 -3.365
273 HG3 PRO 40 2HG PRO 40 11.298 7.237 -2.168
274 HD2 PRO 40 1HD PRO 40 10.717 7.373 -4.809
275 HD3 PRO 40 2HD PRO 40 10.701 8.800 -3.753
276 H SER 41 H SER 41 15.877 8.751 -5.394
277 HA SER 41 HA SER 41 16.119 6.377 -6.860
278 HB2 SER 41 1HB SER 41 18.227 8.369 -5.998
279 HB3 SER 41 2HB SER 41 18.512 7.070 -7.157
280 HG SER 41 HG SER 41 17.475 8.163 -8.632
281 H GLY 42 H GLY 42 17.447 4.553 -6.592
282 HA2 GLY 42 1HA GLY 42 18.956 4.122 -4.196
283 HA3 GLY 42 2HA GLY 42 17.412 3.283 -4.160
284 HA PRO 43 HA PRO 43 20.471 0.428 -6.103
285 HB2 PRO 43 1HB PRO 43 19.569 -1.778 -4.804
286 HB3 PRO 43 2HB PRO 43 20.764 -0.676 -4.110
287 HG2 PRO 43 1HG PRO 43 17.816 -0.831 -3.612
288 HG3 PRO 43 2HG PRO 43 19.137 -0.607 -2.450
289 HD2 PRO 43 1HD PRO 43 17.618 1.449 -3.344
290 HD3 PRO 43 2HD PRO 43 19.329 1.643 -2.911
291 H SER 44 H SER 44 17.244 1.055 -6.328
292 HA SER 44 HA SER 44 15.842 -0.997 -7.305
293 HB2 SER 44 1HB SER 44 16.105 1.726 -8.595
294 HB3 SER 44 2HB SER 44 14.844 0.562 -8.998
295 HG SER 44 HG SER 44 15.182 1.162 -6.306
296 H SER 45 H SER 45 18.218 0.792 -9.264
297 HA SER 45 HA SER 45 18.723 -1.642 -10.797
298 HB2 SER 45 1HB SER 45 16.992 -0.391 -12.056
299 HB3 SER 45 2HB SER 45 18.070 1.004 -12.119
300 HG SER 45 HG SER 45 19.585 -0.684 -13.091
301 H GLY 46 H GLY 46 20.831 -1.929 -11.181
302 HA2 GLY 46 1HA GLY 46 23.066 -1.446 -11.510
303 HA3 GLY 46 2HA GLY 46 22.640 0.256 -11.611
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -3.750 -34.826 -2.406
2 HA2 GLY 1 1HA GLY 1 -5.338 -34.127 -0.179
3 HA3 GLY 1 2HA GLY 1 -3.664 -34.657 -0.118
4 H SER 2 H SER 2 -3.558 -33.106 1.678
5 HA SER 2 HA SER 2 -3.307 -30.993 2.588
6 HB2 SER 2 1HB SER 2 -1.251 -30.027 1.877
7 HB3 SER 2 2HB SER 2 -1.087 -31.761 1.598
8 HG SER 2 HG SER 2 -2.007 -31.023 -0.617
9 H SER 3 H SER 3 -5.597 -30.919 1.087
10 HA SER 3 HA SER 3 -5.586 -28.849 -0.868
11 HB2 SER 3 1HB SER 3 -7.706 -30.363 0.610
12 HB3 SER 3 2HB SER 3 -8.152 -28.906 -0.278
13 HG SER 3 HG SER 3 -8.236 -30.982 -1.452
14 H GLY 4 H GLY 4 -6.376 -26.725 -0.706
15 HA2 GLY 4 1HA GLY 4 -6.631 -25.676 2.039
16 HA3 GLY 4 2HA GLY 4 -5.566 -24.897 0.878
17 H SER 5 H SER 5 -8.938 -25.746 1.515
18 HA SER 5 HA SER 5 -10.883 -24.937 0.566
19 HB2 SER 5 1HB SER 5 -10.380 -23.400 2.426
20 HB3 SER 5 2HB SER 5 -9.457 -22.375 1.328
21 HG SER 5 HG SER 5 -12.058 -22.320 1.807
22 H SER 6 H SER 6 -9.137 -25.556 -1.486
23 HA SER 6 HA SER 6 -8.465 -23.588 -3.296
24 HB2 SER 6 1HB SER 6 -9.268 -26.460 -3.602
25 HB3 SER 6 2HB SER 6 -9.024 -25.470 -5.041
26 HG SER 6 HG SER 6 -6.950 -24.926 -3.705
27 H GLY 7 H GLY 7 -9.590 -22.133 -4.402
28 HA2 GLY 7 1HA GLY 7 -11.690 -22.321 -6.023
29 HA3 GLY 7 2HA GLY 7 -12.497 -22.332 -4.462
30 H MET 8 H MET 8 -11.329 -20.406 -6.941
31 HA MET 8 HA MET 8 -10.596 -18.071 -5.519
32 HB2 MET 8 1HB MET 8 -10.923 -16.916 -7.684
33 HB3 MET 8 2HB MET 8 -9.936 -18.364 -7.831
34 HG2 MET 8 1HG MET 8 -11.545 -19.513 -8.991
35 HG3 MET 8 2HG MET 8 -12.864 -18.554 -8.323
36 HE1 MET 8 3HE MET 8 -13.979 -16.816 -9.357
37 HE2 MET 8 1HE MET 8 -13.717 -16.246 -11.005
38 HE3 MET 8 2HE MET 8 -14.131 -17.935 -10.713
39 H GLY 9 H GLY 9 -11.791 -16.050 -5.420
40 HA2 GLY 9 1HA GLY 9 -14.608 -15.982 -5.868
41 HA3 GLY 9 2HA GLY 9 -14.241 -16.238 -4.168
42 H GLU 10 H GLU 10 -13.372 -14.575 -2.950
43 HA GLU 10 HA GLU 10 -13.990 -11.945 -3.827
44 HB2 GLU 10 1HB GLU 10 -12.394 -12.826 -1.415
45 HB3 GLU 10 2HB GLU 10 -13.076 -11.226 -1.669
46 HG2 GLU 10 1HG GLU 10 -15.336 -12.307 -1.744
47 HG3 GLU 10 2HG GLU 10 -14.557 -13.802 -1.230
48 H LYS 11 H LYS 11 -12.585 -10.176 -4.149
49 HA LYS 11 HA LYS 11 -10.026 -10.948 -5.324
50 HB2 LYS 11 1HB LYS 11 -10.062 -8.533 -6.137
51 HB3 LYS 11 2HB LYS 11 -11.293 -9.605 -6.792
52 HG2 LYS 11 1HG LYS 11 -11.968 -8.021 -4.374
53 HG3 LYS 11 2HG LYS 11 -11.870 -7.183 -5.924
54 HD2 LYS 11 1HD LYS 11 -13.406 -9.726 -5.804
55 HD3 LYS 11 2HD LYS 11 -14.123 -8.290 -5.070
56 HE2 LYS 11 1HE LYS 11 -14.918 -8.263 -7.265
57 HE3 LYS 11 2HE LYS 11 -13.575 -7.121 -7.283
58 HZ1 LYS 11 3HZ LYS 11 -13.357 -9.958 -8.128
59 HZ2 LYS 11 1HZ LYS 11 -12.175 -8.758 -8.282
60 HZ3 LYS 11 2HZ LYS 11 -13.596 -8.665 -9.193
61 H CYS 12 H CYS 12 -8.996 -11.323 -3.260
62 HA CYS 12 HA CYS 12 -8.681 -9.227 -1.358
63 HB2 CYS 12 1HB CYS 12 -7.355 -11.889 -1.790
64 HB3 CYS 12 2HB CYS 12 -6.736 -10.765 -0.585
65 HG CYS 12 HG CYS 12 -9.854 -10.838 0.059
66 H TYR 13 H TYR 13 -7.995 -7.448 -2.637
67 HA TYR 13 HA TYR 13 -5.976 -7.208 -4.413
68 HB2 TYR 13 1HB TYR 13 -6.937 -5.394 -2.241
69 HB3 TYR 13 2HB TYR 13 -5.498 -4.939 -3.146
70 HD1 TYR 13 HD1 TYR 13 -8.520 -6.695 -4.410
71 HD2 TYR 13 HD2 TYR 13 -6.240 -3.103 -4.400
72 HE1 TYR 13 HE1 TYR 13 -9.941 -5.795 -6.205
73 HE2 TYR 13 HE2 TYR 13 -7.655 -2.193 -6.194
74 HH TYR 13 HH TYR 13 -10.264 -2.765 -6.950
75 H LYS 14 H LYS 14 -3.802 -7.295 -4.466
76 HA LYS 14 HA LYS 14 -2.353 -7.559 -1.921
77 HB2 LYS 14 1HB LYS 14 -2.615 -9.803 -2.778
78 HB3 LYS 14 2HB LYS 14 -2.052 -9.306 -4.369
79 HG2 LYS 14 1HG LYS 14 0.160 -8.853 -3.462
80 HG3 LYS 14 2HG LYS 14 -0.399 -9.310 -1.851
81 HD2 LYS 14 1HD LYS 14 -0.828 -11.573 -2.609
82 HD3 LYS 14 2HD LYS 14 -0.381 -11.131 -4.258
83 HE2 LYS 14 1HE LYS 14 1.484 -12.247 -3.274
84 HE3 LYS 14 2HE LYS 14 1.888 -10.535 -3.397
85 HZ1 LYS 14 3HZ LYS 14 2.528 -11.471 -1.254
86 HZ2 LYS 14 1HZ LYS 14 0.920 -11.895 -0.940
87 HZ3 LYS 14 2HZ LYS 14 1.356 -10.266 -1.066
88 H CYS 15 H CYS 15 -0.239 -6.780 -1.904
89 HA CYS 15 HA CYS 15 0.340 -4.859 -4.021
90 HB2 CYS 15 1HB CYS 15 0.421 -4.102 -1.678
91 HB3 CYS 15 2HB CYS 15 1.686 -5.281 -1.344
92 H ASP 16 H ASP 16 1.563 -5.482 -5.664
93 HA ASP 16 HA ASP 16 3.335 -7.758 -5.429
94 HB2 ASP 16 1HB ASP 16 2.314 -6.069 -7.669
95 HB3 ASP 16 2HB ASP 16 3.806 -6.972 -7.917
96 H VAL 17 H VAL 17 4.100 -5.601 -3.797
97 HA VAL 17 HA VAL 17 6.648 -4.843 -5.067
98 HB VAL 17 HB VAL 17 5.038 -3.133 -3.166
99 HG11 VAL 17 1HG1 VAL 17 6.976 -2.144 -2.709
100 HG12 VAL 17 2HG1 VAL 17 7.823 -3.120 -3.910
101 HG13 VAL 17 3HG1 VAL 17 7.034 -1.617 -4.390
102 HG21 VAL 17 3HG2 VAL 17 4.300 -3.410 -5.638
103 HG22 VAL 17 1HG2 VAL 17 4.423 -1.790 -4.951
104 HG23 VAL 17 2HG2 VAL 17 5.707 -2.406 -5.991
105 H CYS 18 H CYS 18 4.960 -5.253 -1.963
106 HA CYS 18 HA CYS 18 7.517 -6.143 -0.796
107 HB2 CYS 18 1HB CYS 18 6.596 -5.384 1.398
108 HB3 CYS 18 2HB CYS 18 6.853 -4.075 0.249
109 H GLY 19 H GLY 19 4.025 -6.635 -0.925
110 HA2 GLY 19 1HA GLY 19 3.332 -9.003 -1.104
111 HA3 GLY 19 2HA GLY 19 4.460 -9.332 0.202
112 H LYS 20 H LYS 20 2.005 -6.793 -0.221
113 HA LYS 20 HA LYS 20 0.887 -7.582 2.383
114 HB2 LYS 20 1HB LYS 20 1.817 -5.175 1.795
115 HB3 LYS 20 2HB LYS 20 0.220 -4.975 1.087
116 HG2 LYS 20 1HG LYS 20 -0.841 -5.055 3.111
117 HG3 LYS 20 2HG LYS 20 0.425 -6.030 3.860
118 HD2 LYS 20 1HD LYS 20 1.860 -3.851 3.420
119 HD3 LYS 20 2HD LYS 20 0.270 -3.085 3.462
120 HE2 LYS 20 1HE LYS 20 -0.143 -3.893 5.666
121 HE3 LYS 20 2HE LYS 20 1.279 -4.934 5.616
122 HZ1 LYS 20 3HZ LYS 20 1.098 -2.257 6.452
123 HZ2 LYS 20 1HZ LYS 20 2.128 -2.330 5.112
124 HZ3 LYS 20 2HZ LYS 20 2.446 -3.279 6.475
125 H GLU 21 H GLU 21 -1.484 -7.236 2.632
126 HA GLU 21 HA GLU 21 -2.999 -7.536 0.148
127 HB2 GLU 21 1HB GLU 21 -2.700 -9.577 2.287
128 HB3 GLU 21 2HB GLU 21 -4.307 -9.362 1.606
129 HG2 GLU 21 1HG GLU 21 -3.147 -9.604 -0.673
130 HG3 GLU 21 2HG GLU 21 -1.797 -10.261 0.250
131 H PHE 22 H PHE 22 -4.881 -6.465 0.171
132 HA PHE 22 HA PHE 22 -5.909 -5.538 2.772
133 HB2 PHE 22 1HB PHE 22 -5.982 -3.985 0.179
134 HB3 PHE 22 2HB PHE 22 -6.535 -3.427 1.754
135 HD1 PHE 22 HD1 PHE 22 -3.514 -4.503 -0.107
136 HD2 PHE 22 HD2 PHE 22 -5.074 -2.347 3.215
137 HE1 PHE 22 HE1 PHE 22 -1.275 -3.593 0.349
138 HE2 PHE 22 HE2 PHE 22 -2.837 -1.432 3.676
139 HZ PHE 22 HZ PHE 22 -0.934 -2.054 2.242
140 H SER 23 H SER 23 -8.218 -5.036 2.797
141 HA SER 23 HA SER 23 -9.714 -7.084 1.436
142 HB2 SER 23 1HB SER 23 -10.060 -6.255 3.850
143 HB3 SER 23 2HB SER 23 -10.906 -4.889 3.122
144 HG SER 23 HG SER 23 -12.535 -6.147 2.647
145 H GLN 24 H GLN 24 -9.584 -3.547 1.382
146 HA GLN 24 HA GLN 24 -11.367 -3.554 -0.953
147 HB2 GLN 24 1HB GLN 24 -10.623 -1.391 1.011
148 HB3 GLN 24 2HB GLN 24 -11.468 -1.052 -0.494
149 HG2 GLN 24 1HG GLN 24 -13.176 -2.789 0.308
150 HG3 GLN 24 2HG GLN 24 -12.421 -2.592 1.888
151 HE21 GLN 24 1HE2 GLN 24 -14.565 -1.860 2.512
152 HE22 GLN 24 2HE2 GLN 24 -14.998 -0.208 2.250
153 H SER 25 H SER 25 -10.836 -1.614 -2.479
154 HA SER 25 HA SER 25 -8.174 -2.104 -3.478
155 HB2 SER 25 1HB SER 25 -8.872 -0.725 -5.390
156 HB3 SER 25 2HB SER 25 -10.080 -1.958 -5.028
157 HG SER 25 HG SER 25 -10.182 0.817 -4.606
158 H SER 26 H SER 26 -10.003 0.753 -2.401
159 HA SER 26 HA SER 26 -8.086 2.696 -2.708
160 HB2 SER 26 1HB SER 26 -10.400 3.146 -1.977
161 HB3 SER 26 2HB SER 26 -10.030 2.451 -0.399
162 HG SER 26 HG SER 26 -8.915 4.781 -1.568
163 H HIS 27 H HIS 27 -8.435 0.381 -0.066
164 HA HIS 27 HA HIS 27 -6.576 1.386 1.722
165 HB2 HIS 27 1HB HIS 27 -7.114 -1.526 1.101
166 HB3 HIS 27 2HB HIS 27 -6.361 -0.906 2.568
167 HD1 HIS 27 HD1 HIS 27 -8.913 -2.584 2.748
168 HD2 HIS 27 HD2 HIS 27 -8.881 1.565 2.542
169 HE1 HIS 27 HE1 HIS 27 -11.097 -1.844 3.753
170 H LEU 28 H LEU 28 -5.988 -1.061 -0.807
171 HA LEU 28 HA LEU 28 -3.219 -1.226 -0.453
172 HB2 LEU 28 1HB LEU 28 -4.371 -2.909 -1.692
173 HB3 LEU 28 2HB LEU 28 -4.948 -1.727 -2.866
174 HG LEU 28 HG LEU 28 -2.698 -1.450 -3.733
175 HD11 LEU 28 1HD1 LEU 28 -0.901 -1.950 -2.539
176 HD12 LEU 28 2HD1 LEU 28 -1.371 -3.648 -2.498
177 HD13 LEU 28 3HD1 LEU 28 -1.940 -2.546 -1.244
178 HD21 LEU 28 3HD2 LEU 28 -2.838 -3.267 -5.046
179 HD22 LEU 28 1HD2 LEU 28 -4.317 -3.587 -4.141
180 HD23 LEU 28 2HD2 LEU 28 -2.813 -4.384 -3.681
181 H GLN 29 H GLN 29 -5.058 0.626 -2.883
182 HA GLN 29 HA GLN 29 -3.045 1.864 -4.233
183 HB2 GLN 29 1HB GLN 29 -5.801 2.691 -3.478
184 HB3 GLN 29 2HB GLN 29 -4.738 3.924 -4.143
185 HG2 GLN 29 1HG GLN 29 -5.794 3.138 -6.022
186 HG3 GLN 29 2HG GLN 29 -4.310 2.188 -6.016
187 HE21 GLN 29 1HE2 GLN 29 -4.466 0.048 -6.069
188 HE22 GLN 29 2HE2 GLN 29 -5.923 -0.856 -5.857
189 H THR 30 H THR 30 -4.367 2.819 -1.092
190 HA THR 30 HA THR 30 -2.850 5.179 -0.794
191 HB THR 30 HB THR 30 -3.894 3.406 1.421
192 HG1 THR 30 HG1 THR 30 -5.630 5.166 1.225
193 HG21 THR 30 3HG2 THR 30 -4.127 5.974 2.273
194 HG22 THR 30 1HG2 THR 30 -2.653 6.071 1.311
195 HG23 THR 30 2HG2 THR 30 -2.761 4.924 2.646
196 H HIS 31 H HIS 31 -2.312 1.875 0.414
197 HA HIS 31 HA HIS 31 0.010 2.274 1.845
198 HB2 HIS 31 1HB HIS 31 -0.919 0.131 2.005
199 HB3 HIS 31 2HB HIS 31 -1.009 -0.064 0.257
200 HD1 HIS 31 HD1 HIS 31 1.706 0.253 2.910
201 HD2 HIS 31 HD2 HIS 31 0.972 -1.616 -0.728
202 HE1 HIS 31 HE1 HIS 31 3.719 -1.191 2.477
203 H GLN 32 H GLN 32 -0.327 1.636 -1.631
204 HA GLN 32 HA GLN 32 2.267 1.373 -2.415
205 HB2 GLN 32 1HB GLN 32 -0.058 2.749 -3.724
206 HB3 GLN 32 2HB GLN 32 1.515 2.709 -4.509
207 HG2 GLN 32 1HG GLN 32 1.315 0.130 -4.002
208 HG3 GLN 32 2HG GLN 32 -0.407 0.510 -3.990
209 HE21 GLN 32 1HE2 GLN 32 -0.272 -1.030 -5.841
210 HE22 GLN 32 2HE2 GLN 32 0.026 -0.366 -7.407
211 H ARG 33 H ARG 33 0.739 4.218 -1.169
212 HA ARG 33 HA ARG 33 2.289 6.271 -2.132
213 HB2 ARG 33 1HB ARG 33 1.118 5.836 0.613
214 HB3 ARG 33 2HB ARG 33 1.923 7.331 0.157
215 HG2 ARG 33 1HG ARG 33 -0.444 6.185 -1.304
216 HG3 ARG 33 2HG ARG 33 -0.556 7.393 -0.023
217 HD2 ARG 33 1HD ARG 33 0.942 7.706 -2.623
218 HD3 ARG 33 2HD ARG 33 -0.625 8.420 -2.244
219 HE ARG 33 HE ARG 33 1.505 9.107 -0.416
220 HH11 ARG 33 1HH1 ARG 33 -0.231 9.961 -3.311
221 HH12 ARG 33 2HH1 ARG 33 0.212 11.635 -3.238
222 HH21 ARG 33 1HH2 ARG 33 2.094 11.308 -0.310
223 HH22 ARG 33 2HH2 ARG 33 1.535 12.399 -1.531
224 H VAL 34 H VAL 34 3.084 3.928 0.375
225 HA VAL 34 HA VAL 34 5.455 5.155 1.289
226 HB VAL 34 HB VAL 34 6.024 3.006 2.268
227 HG11 VAL 34 1HG1 VAL 34 4.442 4.221 3.531
228 HG12 VAL 34 2HG1 VAL 34 3.125 3.790 2.437
229 HG13 VAL 34 3HG1 VAL 34 3.845 2.563 3.480
230 HG21 VAL 34 3HG2 VAL 34 5.604 1.242 0.932
231 HG22 VAL 34 1HG2 VAL 34 4.043 1.233 1.754
232 HG23 VAL 34 2HG2 VAL 34 4.207 2.012 0.180
233 H HIS 35 H HIS 35 4.768 3.007 -1.394
234 HA HIS 35 HA HIS 35 7.553 2.546 -1.994
235 HB2 HIS 35 1HB HIS 35 5.094 1.931 -3.646
236 HB3 HIS 35 2HB HIS 35 6.719 1.319 -3.940
237 HD1 HIS 35 HD1 HIS 35 7.467 0.429 -1.097
238 HD2 HIS 35 HD2 HIS 35 3.796 -0.335 -2.885
239 HE1 HIS 35 HE1 HIS 35 6.539 -1.575 0.105
240 H THR 36 H THR 36 5.060 4.772 -2.934
241 HA THR 36 HA THR 36 6.747 5.843 -5.086
242 HB THR 36 HB THR 36 4.323 5.320 -5.553
243 HG1 THR 36 HG1 THR 36 4.761 8.088 -5.887
244 HG21 THR 36 3HG2 THR 36 2.793 6.045 -4.101
245 HG22 THR 36 1HG2 THR 36 3.130 7.688 -4.645
246 HG23 THR 36 2HG2 THR 36 3.990 7.026 -3.255
247 H GLY 37 H GLY 37 6.601 8.312 -5.299
248 HA2 GLY 37 1HA GLY 37 6.401 10.429 -4.161
249 HA3 GLY 37 2HA GLY 37 6.665 9.586 -2.642
250 H GLU 38 H GLU 38 8.536 9.129 -5.591
251 HA GLU 38 HA GLU 38 10.930 9.938 -4.114
252 HB2 GLU 38 1HB GLU 38 10.666 8.491 -6.756
253 HB3 GLU 38 2HB GLU 38 12.175 8.816 -5.915
254 HG2 GLU 38 1HG GLU 38 9.927 7.075 -4.929
255 HG3 GLU 38 2HG GLU 38 11.475 6.526 -5.571
256 H LYS 39 H LYS 39 9.278 12.033 -4.879
257 HA LYS 39 HA LYS 39 9.427 14.109 -5.802
258 HB2 LYS 39 1HB LYS 39 11.863 13.835 -5.249
259 HB3 LYS 39 2HB LYS 39 12.110 13.239 -6.885
260 HG2 LYS 39 1HG LYS 39 11.270 15.386 -7.761
261 HG3 LYS 39 2HG LYS 39 11.133 15.978 -6.103
262 HD2 LYS 39 1HD LYS 39 13.743 14.850 -6.975
263 HD3 LYS 39 2HD LYS 39 13.283 16.442 -7.584
264 HE2 LYS 39 1HE LYS 39 14.340 17.073 -5.667
265 HE3 LYS 39 2HE LYS 39 12.712 16.845 -5.030
266 HZ1 LYS 39 3HZ LYS 39 13.974 15.669 -3.539
267 HZ2 LYS 39 1HZ LYS 39 15.087 15.145 -4.701
268 HZ3 LYS 39 2HZ LYS 39 13.552 14.441 -4.622
269 HA PRO 40 HA PRO 40 8.407 11.989 -9.900
270 HB2 PRO 40 1HB PRO 40 5.706 12.122 -9.664
271 HB3 PRO 40 2HB PRO 40 6.655 10.751 -9.078
272 HG2 PRO 40 1HG PRO 40 5.552 13.080 -7.555
273 HG3 PRO 40 2HG PRO 40 5.571 11.362 -7.114
274 HD2 PRO 40 1HD PRO 40 7.348 13.144 -6.113
275 HD3 PRO 40 2HD PRO 40 7.761 11.441 -6.400
276 H SER 41 H SER 41 7.084 12.960 -11.672
277 HA SER 41 HA SER 41 7.557 15.770 -11.803
278 HB2 SER 41 1HB SER 41 6.039 13.971 -13.709
279 HB3 SER 41 2HB SER 41 6.581 15.613 -14.059
280 HG SER 41 HG SER 41 8.334 13.514 -13.315
281 H GLY 42 H GLY 42 6.304 16.734 -10.192
282 HA2 GLY 42 1HA GLY 42 4.329 18.160 -10.136
283 HA3 GLY 42 2HA GLY 42 3.418 16.816 -10.808
284 HA PRO 43 HA PRO 43 4.350 15.883 -6.124
285 HB2 PRO 43 1HB PRO 43 4.892 18.082 -4.627
286 HB3 PRO 43 2HB PRO 43 6.151 17.109 -5.397
287 HG2 PRO 43 1HG PRO 43 4.929 19.687 -6.303
288 HG3 PRO 43 2HG PRO 43 6.632 19.193 -6.311
289 HD2 PRO 43 1HD PRO 43 5.083 19.118 -8.531
290 HD3 PRO 43 2HD PRO 43 6.394 17.957 -8.243
291 H SER 44 H SER 44 3.242 16.829 -3.981
292 HA SER 44 HA SER 44 0.496 17.259 -4.708
293 HB2 SER 44 1HB SER 44 1.971 16.780 -2.146
294 HB3 SER 44 2HB SER 44 0.324 17.405 -2.085
295 HG SER 44 HG SER 44 0.843 15.205 -3.728
296 H SER 45 H SER 45 -0.769 18.910 -3.305
297 HA SER 45 HA SER 45 0.368 21.512 -3.896
298 HB2 SER 45 1HB SER 45 -1.861 22.379 -3.379
299 HB3 SER 45 2HB SER 45 -1.980 21.013 -4.489
300 HG SER 45 HG SER 45 -2.725 21.206 -1.803
301 H GLY 46 H GLY 46 2.037 21.538 -2.299
302 HA2 GLY 46 1HA GLY 46 1.907 23.070 -0.184
303 HA3 GLY 46 2HA GLY 46 1.153 21.635 0.495
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -12.017 -32.425 -5.033
2 HA2 GLY 1 1HA GLY 1 -12.888 -31.337 -2.862
3 HA3 GLY 1 2HA GLY 1 -11.312 -32.109 -2.780
4 H SER 2 H SER 2 -12.777 -29.564 -1.644
5 HA SER 2 HA SER 2 -10.354 -28.022 -1.420
6 HB2 SER 2 1HB SER 2 -12.649 -27.098 -3.097
7 HB3 SER 2 2HB SER 2 -11.780 -25.905 -2.131
8 HG SER 2 HG SER 2 -10.826 -26.076 -4.163
9 H SER 3 H SER 3 -10.402 -26.532 0.289
10 HA SER 3 HA SER 3 -12.680 -26.899 2.113
11 HB2 SER 3 1HB SER 3 -11.140 -26.357 3.926
12 HB3 SER 3 2HB SER 3 -10.472 -27.661 2.945
13 HG SER 3 HG SER 3 -9.323 -25.389 3.546
14 H GLY 4 H GLY 4 -12.997 -25.057 0.060
15 HA2 GLY 4 1HA GLY 4 -12.292 -22.468 0.285
16 HA3 GLY 4 2HA GLY 4 -13.942 -22.946 -0.085
17 H SER 5 H SER 5 -12.272 -20.952 1.796
18 HA SER 5 HA SER 5 -14.233 -21.127 3.987
19 HB2 SER 5 1HB SER 5 -11.268 -20.633 4.124
20 HB3 SER 5 2HB SER 5 -12.344 -20.057 5.397
21 HG SER 5 HG SER 5 -12.157 -22.748 4.511
22 H SER 6 H SER 6 -14.207 -18.947 5.258
23 HA SER 6 HA SER 6 -14.639 -16.854 3.264
24 HB2 SER 6 1HB SER 6 -15.986 -15.748 4.926
25 HB3 SER 6 2HB SER 6 -16.439 -17.452 4.914
26 HG SER 6 HG SER 6 -14.560 -16.336 6.720
27 H GLY 7 H GLY 7 -13.131 -15.369 2.931
28 HA2 GLY 7 1HA GLY 7 -11.887 -13.891 4.978
29 HA3 GLY 7 2HA GLY 7 -10.774 -15.135 4.428
30 H MET 8 H MET 8 -11.235 -15.219 1.741
31 HA MET 8 HA MET 8 -9.727 -13.065 0.787
32 HB2 MET 8 1HB MET 8 -10.188 -13.924 -1.436
33 HB3 MET 8 2HB MET 8 -9.871 -15.259 -0.336
34 HG2 MET 8 1HG MET 8 -12.313 -15.601 -0.122
35 HG3 MET 8 2HG MET 8 -12.558 -14.344 -1.332
36 HE1 MET 8 3HE MET 8 -12.752 -15.769 -4.349
37 HE2 MET 8 1HE MET 8 -13.791 -16.770 -3.335
38 HE3 MET 8 2HE MET 8 -13.583 -15.059 -2.964
39 H GLY 9 H GLY 9 -13.221 -13.661 0.688
40 HA2 GLY 9 1HA GLY 9 -14.971 -12.301 0.049
41 HA3 GLY 9 2HA GLY 9 -14.084 -11.088 0.960
42 H GLU 10 H GLU 10 -13.889 -9.272 -0.152
43 HA GLU 10 HA GLU 10 -14.302 -9.016 -2.905
44 HB2 GLU 10 1HB GLU 10 -12.841 -7.177 -1.003
45 HB3 GLU 10 2HB GLU 10 -13.330 -6.741 -2.634
46 HG2 GLU 10 1HG GLU 10 -15.007 -5.840 -1.330
47 HG3 GLU 10 2HG GLU 10 -15.701 -7.371 -1.860
48 H LYS 11 H LYS 11 -12.544 -7.823 -4.299
49 HA LYS 11 HA LYS 11 -10.738 -9.559 -5.267
50 HB2 LYS 11 1HB LYS 11 -10.366 -6.572 -4.995
51 HB3 LYS 11 2HB LYS 11 -9.375 -7.599 -6.022
52 HG2 LYS 11 1HG LYS 11 -12.355 -7.498 -6.320
53 HG3 LYS 11 2HG LYS 11 -11.301 -6.319 -7.104
54 HD2 LYS 11 1HD LYS 11 -10.139 -8.089 -8.278
55 HD3 LYS 11 2HD LYS 11 -11.085 -9.312 -7.427
56 HE2 LYS 11 1HE LYS 11 -13.137 -8.204 -8.438
57 HE3 LYS 11 2HE LYS 11 -12.020 -7.323 -9.480
58 HZ1 LYS 11 3HZ LYS 11 -13.014 -9.915 -9.813
59 HZ2 LYS 11 1HZ LYS 11 -11.346 -10.040 -9.555
60 HZ3 LYS 11 2HZ LYS 11 -11.938 -9.072 -10.810
61 H CYS 12 H CYS 12 -8.717 -10.310 -4.835
62 HA CYS 12 HA CYS 12 -7.761 -10.015 -2.136
63 HB2 CYS 12 1HB CYS 12 -6.094 -11.691 -2.762
64 HB3 CYS 12 2HB CYS 12 -7.700 -12.197 -3.269
65 HG CYS 12 HG CYS 12 -7.341 -11.933 -5.911
66 H TYR 13 H TYR 13 -7.646 -7.551 -3.215
67 HA TYR 13 HA TYR 13 -5.530 -6.645 -4.640
68 HB2 TYR 13 1HB TYR 13 -6.882 -5.505 -2.212
69 HB3 TYR 13 2HB TYR 13 -5.543 -4.652 -2.973
70 HD1 TYR 13 HD2 TYR 13 -5.780 -4.281 -5.562
71 HD2 TYR 13 HD1 TYR 13 -9.038 -5.094 -2.950
72 HE1 TYR 13 HE2 TYR 13 -7.330 -3.298 -7.199
73 HE2 TYR 13 HE1 TYR 13 -10.598 -4.115 -4.580
74 HH TYR 13 HH TYR 13 -9.428 -2.678 -7.606
75 H LYS 14 H LYS 14 -3.570 -7.598 -4.506
76 HA LYS 14 HA LYS 14 -2.214 -7.536 -1.889
77 HB2 LYS 14 1HB LYS 14 -2.467 -9.818 -2.550
78 HB3 LYS 14 2HB LYS 14 -1.932 -9.469 -4.188
79 HG2 LYS 14 1HG LYS 14 0.299 -9.227 -3.533
80 HG3 LYS 14 2HG LYS 14 -0.129 -9.061 -1.829
81 HD2 LYS 14 1HD LYS 14 -1.024 -11.445 -1.997
82 HD3 LYS 14 2HD LYS 14 -0.164 -11.536 -3.536
83 HE2 LYS 14 1HE LYS 14 1.922 -10.914 -2.345
84 HE3 LYS 14 2HE LYS 14 1.032 -10.974 -0.824
85 HZ1 LYS 14 3HZ LYS 14 0.541 -13.314 -1.270
86 HZ2 LYS 14 1HZ LYS 14 2.208 -13.031 -1.193
87 HZ3 LYS 14 2HZ LYS 14 1.455 -13.244 -2.692
88 H CYS 15 H CYS 15 -0.416 -6.353 -1.722
89 HA CYS 15 HA CYS 15 0.417 -4.679 -3.859
90 HB2 CYS 15 1HB CYS 15 0.580 -3.973 -1.517
91 HB3 CYS 15 2HB CYS 15 1.753 -5.248 -1.204
92 H ASP 16 H ASP 16 1.482 -5.419 -5.571
93 HA ASP 16 HA ASP 16 3.242 -7.711 -5.365
94 HB2 ASP 16 1HB ASP 16 2.484 -5.985 -7.732
95 HB3 ASP 16 2HB ASP 16 3.473 -7.440 -7.824
96 H VAL 17 H VAL 17 4.180 -5.598 -3.840
97 HA VAL 17 HA VAL 17 6.642 -4.910 -5.295
98 HB VAL 17 HB VAL 17 5.124 -3.050 -3.460
99 HG11 VAL 17 1HG1 VAL 17 6.899 -1.653 -3.412
100 HG12 VAL 17 2HG1 VAL 17 7.804 -3.143 -3.686
101 HG13 VAL 17 3HG1 VAL 17 7.418 -2.081 -5.042
102 HG21 VAL 17 3HG2 VAL 17 4.051 -2.380 -5.287
103 HG22 VAL 17 1HG2 VAL 17 5.597 -1.888 -5.978
104 HG23 VAL 17 2HG2 VAL 17 4.970 -3.508 -6.283
105 H CYS 18 H CYS 18 5.124 -4.962 -2.071
106 HA CYS 18 HA CYS 18 7.712 -5.833 -0.965
107 HB2 CYS 18 1HB CYS 18 7.098 -4.830 1.127
108 HB3 CYS 18 2HB CYS 18 6.828 -3.635 -0.137
109 H GLY 19 H GLY 19 4.215 -6.338 -0.887
110 HA2 GLY 19 1HA GLY 19 3.538 -8.725 -0.910
111 HA3 GLY 19 2HA GLY 19 4.722 -8.967 0.366
112 H LYS 20 H LYS 20 1.839 -7.005 -0.357
113 HA LYS 20 HA LYS 20 0.909 -7.540 2.379
114 HB2 LYS 20 1HB LYS 20 1.904 -5.149 1.846
115 HB3 LYS 20 2HB LYS 20 0.319 -4.890 1.129
116 HG2 LYS 20 1HG LYS 20 -0.776 -5.090 3.161
117 HG3 LYS 20 2HG LYS 20 0.568 -5.953 3.913
118 HD2 LYS 20 1HD LYS 20 1.910 -3.829 3.673
119 HD3 LYS 20 2HD LYS 20 0.405 -3.026 3.218
120 HE2 LYS 20 1HE LYS 20 -0.573 -3.823 5.378
121 HE3 LYS 20 2HE LYS 20 1.030 -4.403 5.826
122 HZ1 LYS 20 3HZ LYS 20 1.653 -1.934 5.216
123 HZ2 LYS 20 1HZ LYS 20 1.087 -2.348 6.756
124 HZ3 LYS 20 2HZ LYS 20 0.034 -1.663 5.624
125 H GLU 21 H GLU 21 -1.467 -7.037 2.617
126 HA GLU 21 HA GLU 21 -2.977 -7.292 0.130
127 HB2 GLU 21 1HB GLU 21 -2.758 -9.362 2.250
128 HB3 GLU 21 2HB GLU 21 -4.353 -9.085 1.567
129 HG2 GLU 21 1HG GLU 21 -3.175 -9.336 -0.711
130 HG3 GLU 21 2HG GLU 21 -1.876 -10.076 0.222
131 H PHE 22 H PHE 22 -5.178 -6.697 0.305
132 HA PHE 22 HA PHE 22 -6.057 -5.583 2.860
133 HB2 PHE 22 1HB PHE 22 -6.213 -3.973 0.309
134 HB3 PHE 22 2HB PHE 22 -6.618 -3.443 1.938
135 HD1 PHE 22 HD1 PHE 22 -3.762 -4.667 -0.104
136 HD2 PHE 22 HD2 PHE 22 -5.044 -2.323 3.210
137 HE1 PHE 22 HE1 PHE 22 -1.467 -3.828 0.186
138 HE2 PHE 22 HE2 PHE 22 -2.752 -1.480 3.505
139 HZ PHE 22 HZ PHE 22 -0.960 -2.231 1.992
140 H SER 23 H SER 23 -8.393 -4.833 2.696
141 HA SER 23 HA SER 23 -9.892 -6.928 1.345
142 HB2 SER 23 1HB SER 23 -11.714 -6.352 2.771
143 HB3 SER 23 2HB SER 23 -10.266 -6.274 3.774
144 HG SER 23 HG SER 23 -12.023 -4.313 3.130
145 H GLN 24 H GLN 24 -9.754 -3.389 1.453
146 HA GLN 24 HA GLN 24 -11.565 -3.268 -0.850
147 HB2 GLN 24 1HB GLN 24 -10.693 -1.239 1.190
148 HB3 GLN 24 2HB GLN 24 -11.454 -0.747 -0.317
149 HG2 GLN 24 1HG GLN 24 -12.613 -2.334 1.939
150 HG3 GLN 24 2HG GLN 24 -13.195 -0.831 1.226
151 HE21 GLN 24 1HE2 GLN 24 -14.509 -3.444 1.675
152 HE22 GLN 24 2HE2 GLN 24 -15.119 -3.918 0.130
153 H SER 25 H SER 25 -11.040 -1.679 -2.560
154 HA SER 25 HA SER 25 -8.470 -2.178 -3.628
155 HB2 SER 25 1HB SER 25 -9.150 -0.542 -5.392
156 HB3 SER 25 2HB SER 25 -10.347 -1.806 -5.110
157 HG SER 25 HG SER 25 -10.446 0.920 -4.498
158 H SER 26 H SER 26 -9.949 0.819 -2.392
159 HA SER 26 HA SER 26 -7.787 2.515 -2.699
160 HB2 SER 26 1HB SER 26 -9.841 3.500 -2.066
161 HB3 SER 26 2HB SER 26 -10.003 2.452 -0.656
162 HG SER 26 HG SER 26 -8.900 4.855 -0.784
163 H HIS 27 H HIS 27 -8.601 0.510 0.124
164 HA HIS 27 HA HIS 27 -6.653 1.188 1.890
165 HB2 HIS 27 1HB HIS 27 -7.818 -1.502 1.216
166 HB3 HIS 27 2HB HIS 27 -6.621 -1.324 2.495
167 HD1 HIS 27 HD1 HIS 27 -7.859 -1.455 4.630
168 HD2 HIS 27 HD2 HIS 27 -9.858 0.867 1.824
169 HE1 HIS 27 HE1 HIS 27 -9.870 -0.535 5.828
170 H LEU 28 H LEU 28 -6.236 -0.479 -1.128
171 HA LEU 28 HA LEU 28 -3.502 -1.249 -0.528
172 HB2 LEU 28 1HB LEU 28 -4.712 -2.809 -1.830
173 HB3 LEU 28 2HB LEU 28 -5.267 -1.558 -2.941
174 HG LEU 28 HG LEU 28 -2.860 -1.304 -3.664
175 HD11 LEU 28 1HD1 LEU 28 -2.325 -2.863 -1.481
176 HD12 LEU 28 2HD1 LEU 28 -1.218 -2.560 -2.820
177 HD13 LEU 28 3HD1 LEU 28 -2.211 -4.018 -2.809
178 HD21 LEU 28 3HD2 LEU 28 -3.716 -4.094 -4.232
179 HD22 LEU 28 1HD2 LEU 28 -3.154 -2.835 -5.332
180 HD23 LEU 28 2HD2 LEU 28 -4.796 -2.776 -4.690
181 H GLN 29 H GLN 29 -5.106 0.776 -2.990
182 HA GLN 29 HA GLN 29 -2.938 1.887 -4.214
183 HB2 GLN 29 1HB GLN 29 -4.353 3.497 -5.047
184 HB3 GLN 29 2HB GLN 29 -5.519 2.297 -4.506
185 HG2 GLN 29 1HG GLN 29 -5.976 3.540 -2.516
186 HG3 GLN 29 2HG GLN 29 -4.671 4.672 -2.869
187 HE21 GLN 29 1HE2 GLN 29 -6.941 5.841 -2.395
188 HE22 GLN 29 2HE2 GLN 29 -7.728 6.383 -3.835
189 H THR 30 H THR 30 -4.403 2.928 -1.163
190 HA THR 30 HA THR 30 -2.808 5.195 -0.735
191 HB THR 30 HB THR 30 -4.119 3.370 1.288
192 HG1 THR 30 HG1 THR 30 -5.703 5.061 1.268
193 HG21 THR 30 3HG2 THR 30 -2.413 4.604 2.426
194 HG22 THR 30 1HG2 THR 30 -3.957 5.372 2.789
195 HG23 THR 30 2HG2 THR 30 -2.868 6.096 1.606
196 H HIS 31 H HIS 31 -2.440 1.898 0.576
197 HA HIS 31 HA HIS 31 -0.091 2.260 1.981
198 HB2 HIS 31 1HB HIS 31 -1.112 0.190 2.309
199 HB3 HIS 31 2HB HIS 31 -1.286 -0.109 0.582
200 HD1 HIS 31 HD1 HIS 31 1.300 -0.178 3.325
201 HD2 HIS 31 HD2 HIS 31 0.802 -1.471 -0.592
202 HE1 HIS 31 HE1 HIS 31 3.262 -1.681 2.858
203 H GLN 32 H GLN 32 -0.505 1.469 -1.449
204 HA GLN 32 HA GLN 32 2.074 0.981 -2.216
205 HB2 GLN 32 1HB GLN 32 -0.146 2.438 -3.634
206 HB3 GLN 32 2HB GLN 32 1.404 2.137 -4.409
207 HG2 GLN 32 1HG GLN 32 1.085 -0.279 -4.035
208 HG3 GLN 32 2HG GLN 32 -0.506 0.064 -3.356
209 HE21 GLN 32 1HE2 GLN 32 1.175 -0.715 -6.117
210 HE22 GLN 32 2HE2 GLN 32 -0.034 -0.329 -7.289
211 H ARG 33 H ARG 33 0.789 3.915 -1.004
212 HA ARG 33 HA ARG 33 2.404 5.845 -2.166
213 HB2 ARG 33 1HB ARG 33 1.298 5.655 0.636
214 HB3 ARG 33 2HB ARG 33 2.110 7.085 0.015
215 HG2 ARG 33 1HG ARG 33 -0.171 5.965 -1.528
216 HG3 ARG 33 2HG ARG 33 -0.503 6.862 -0.045
217 HD2 ARG 33 1HD ARG 33 -0.570 8.517 -1.665
218 HD3 ARG 33 2HD ARG 33 1.079 8.643 -1.051
219 HE ARG 33 HE ARG 33 1.873 7.880 -3.079
220 HH11 ARG 33 1HH1 ARG 33 -1.591 7.557 -2.947
221 HH12 ARG 33 2HH1 ARG 33 -1.754 7.209 -4.636
222 HH21 ARG 33 1HH2 ARG 33 1.672 7.423 -5.304
223 HH22 ARG 33 2HH2 ARG 33 0.103 7.132 -5.976
224 H VAL 34 H VAL 34 3.140 3.515 0.341
225 HA VAL 34 HA VAL 34 5.586 4.690 1.189
226 HB VAL 34 HB VAL 34 6.048 2.556 2.275
227 HG11 VAL 34 1HG1 VAL 34 3.581 4.053 2.595
228 HG12 VAL 34 2HG1 VAL 34 3.450 2.401 3.201
229 HG13 VAL 34 3HG1 VAL 34 4.714 3.468 3.812
230 HG21 VAL 34 3HG2 VAL 34 3.540 1.269 1.477
231 HG22 VAL 34 1HG2 VAL 34 4.729 1.414 0.182
232 HG23 VAL 34 2HG2 VAL 34 5.153 0.585 1.680
233 H HIS 35 H HIS 35 4.799 3.482 -1.741
234 HA HIS 35 HA HIS 35 7.572 2.645 -2.280
235 HB2 HIS 35 1HB HIS 35 5.124 1.589 -3.703
236 HB3 HIS 35 2HB HIS 35 6.787 1.046 -3.906
237 HD1 HIS 35 HD1 HIS 35 7.814 0.203 -1.383
238 HD2 HIS 35 HD2 HIS 35 3.744 -0.122 -2.151
239 HE1 HIS 35 HE1 HIS 35 6.958 -1.514 0.243
240 H THR 36 H THR 36 6.220 5.276 -2.477
241 HA THR 36 HA THR 36 5.971 5.773 -5.318
242 HB THR 36 HB THR 36 5.460 8.063 -4.720
243 HG1 THR 36 HG1 THR 36 7.043 8.005 -2.882
244 HG21 THR 36 3HG2 THR 36 4.051 5.790 -3.679
245 HG22 THR 36 1HG2 THR 36 3.405 7.307 -4.304
246 HG23 THR 36 2HG2 THR 36 3.839 7.168 -2.600
247 H GLY 37 H GLY 37 8.300 6.346 -2.744
248 HA2 GLY 37 1HA GLY 37 10.553 6.820 -2.879
249 HA3 GLY 37 2HA GLY 37 10.431 6.653 -4.625
250 H GLU 38 H GLU 38 10.084 8.460 -5.898
251 HA GLU 38 HA GLU 38 10.093 10.660 -6.490
252 HB2 GLU 38 1HB GLU 38 8.238 10.636 -4.619
253 HB3 GLU 38 2HB GLU 38 9.447 11.521 -3.700
254 HG2 GLU 38 1HG GLU 38 9.570 13.160 -5.570
255 HG3 GLU 38 2HG GLU 38 8.219 12.318 -6.326
256 H LYS 39 H LYS 39 12.494 9.506 -5.860
257 HA LYS 39 HA LYS 39 14.673 10.083 -5.533
258 HB2 LYS 39 1HB LYS 39 13.755 12.320 -6.462
259 HB3 LYS 39 2HB LYS 39 13.824 12.870 -4.793
260 HG2 LYS 39 1HG LYS 39 16.203 12.464 -4.715
261 HG3 LYS 39 2HG LYS 39 16.167 11.787 -6.345
262 HD2 LYS 39 1HD LYS 39 16.915 13.978 -6.661
263 HD3 LYS 39 2HD LYS 39 15.195 14.057 -7.051
264 HE2 LYS 39 1HE LYS 39 15.665 15.938 -5.691
265 HE3 LYS 39 2HE LYS 39 14.807 14.785 -4.670
266 HZ1 LYS 39 3HZ LYS 39 17.657 15.532 -4.625
267 HZ2 LYS 39 1HZ LYS 39 17.163 14.033 -4.016
268 HZ3 LYS 39 2HZ LYS 39 16.553 15.460 -3.345
269 HA PRO 40 HA PRO 40 13.633 9.956 -0.923
270 HB2 PRO 40 1HB PRO 40 14.085 7.304 -0.563
271 HB3 PRO 40 2HB PRO 40 12.502 7.957 -1.001
272 HG2 PRO 40 1HG PRO 40 14.582 6.700 -2.749
273 HG3 PRO 40 2HG PRO 40 12.824 6.465 -2.755
274 HD2 PRO 40 1HD PRO 40 14.086 8.071 -4.534
275 HD3 PRO 40 2HD PRO 40 12.444 8.402 -3.946
276 H SER 41 H SER 41 16.175 9.651 -2.993
277 HA SER 41 HA SER 41 18.253 8.454 -1.667
278 HB2 SER 41 1HB SER 41 19.749 9.880 -2.916
279 HB3 SER 41 2HB SER 41 18.363 9.506 -3.940
280 HG SER 41 HG SER 41 18.887 11.904 -2.526
281 H GLY 42 H GLY 42 18.812 8.655 0.399
282 HA2 GLY 42 1HA GLY 42 20.102 10.141 1.905
283 HA3 GLY 42 2HA GLY 42 18.908 11.379 1.544
284 HA PRO 43 HA PRO 43 17.708 8.437 5.174
285 HB2 PRO 43 1HB PRO 43 18.928 9.641 7.279
286 HB3 PRO 43 2HB PRO 43 19.674 8.329 6.359
287 HG2 PRO 43 1HG PRO 43 20.117 11.282 6.146
288 HG3 PRO 43 2HG PRO 43 21.307 9.967 6.124
289 HD2 PRO 43 1HD PRO 43 20.447 11.191 3.867
290 HD3 PRO 43 2HD PRO 43 20.914 9.479 3.906
291 H SER 44 H SER 44 15.669 9.352 4.825
292 HA SER 44 HA SER 44 14.984 11.488 6.675
293 HB2 SER 44 1HB SER 44 14.789 11.726 3.697
294 HB3 SER 44 2HB SER 44 13.552 12.487 4.698
295 HG SER 44 HG SER 44 14.952 13.937 5.327
296 H SER 45 H SER 45 12.729 11.605 7.145
297 HA SER 45 HA SER 45 11.296 9.126 6.460
298 HB2 SER 45 1HB SER 45 11.922 9.648 8.904
299 HB3 SER 45 2HB SER 45 10.662 10.880 8.826
300 HG SER 45 HG SER 45 9.457 8.857 7.894
301 H GLY 46 H GLY 46 10.617 12.521 7.336
302 HA2 GLY 46 1HA GLY 46 8.275 12.396 5.540
303 HA3 GLY 46 2HA GLY 46 8.383 13.433 6.955
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -10.617 -21.205 -26.532
2 HA2 GLY 1 1HA GLY 1 -10.160 -22.815 -24.920
3 HA3 GLY 1 2HA GLY 1 -9.066 -21.551 -24.376
4 H SER 2 H SER 2 -12.283 -22.922 -23.957
5 HA SER 2 HA SER 2 -13.023 -21.310 -21.748
6 HB2 SER 2 1HB SER 2 -14.736 -22.457 -23.001
7 HB3 SER 2 2HB SER 2 -14.004 -24.024 -22.657
8 HG SER 2 HG SER 2 -15.015 -24.052 -20.823
9 H SER 3 H SER 3 -12.424 -21.402 -19.687
10 HA SER 3 HA SER 3 -10.954 -23.785 -18.773
11 HB2 SER 3 1HB SER 3 -10.742 -20.929 -17.789
12 HB3 SER 3 2HB SER 3 -9.821 -22.298 -17.166
13 HG SER 3 HG SER 3 -8.979 -22.535 -19.328
14 H GLY 4 H GLY 4 -13.087 -21.183 -17.592
15 HA2 GLY 4 1HA GLY 4 -14.759 -23.032 -16.196
16 HA3 GLY 4 2HA GLY 4 -13.692 -22.172 -15.095
17 H SER 5 H SER 5 -15.989 -21.591 -14.350
18 HA SER 5 HA SER 5 -16.883 -19.180 -15.790
19 HB2 SER 5 1HB SER 5 -18.416 -21.235 -14.213
20 HB3 SER 5 2HB SER 5 -19.070 -19.619 -14.480
21 HG SER 5 HG SER 5 -18.493 -21.637 -16.357
22 H SER 6 H SER 6 -14.740 -19.036 -14.020
23 HA SER 6 HA SER 6 -15.164 -18.515 -11.378
24 HB2 SER 6 1HB SER 6 -13.239 -17.080 -11.428
25 HB3 SER 6 2HB SER 6 -12.973 -18.354 -12.618
26 HG SER 6 HG SER 6 -13.448 -15.633 -12.989
27 H GLY 7 H GLY 7 -15.536 -16.568 -10.158
28 HA2 GLY 7 1HA GLY 7 -16.178 -14.109 -10.560
29 HA3 GLY 7 2HA GLY 7 -17.484 -14.814 -11.502
30 H MET 8 H MET 8 -16.046 -14.883 -8.251
31 HA MET 8 HA MET 8 -18.486 -14.363 -6.950
32 HB2 MET 8 1HB MET 8 -18.972 -16.506 -5.937
33 HB3 MET 8 2HB MET 8 -18.994 -16.673 -7.688
34 HG2 MET 8 1HG MET 8 -17.812 -18.531 -7.129
35 HG3 MET 8 2HG MET 8 -16.492 -17.380 -7.324
36 HE1 MET 8 3HE MET 8 -15.566 -19.828 -4.298
37 HE2 MET 8 1HE MET 8 -16.797 -20.294 -5.472
38 HE3 MET 8 2HE MET 8 -15.315 -19.506 -6.015
39 H GLY 9 H GLY 9 -18.117 -13.730 -4.883
40 HA2 GLY 9 1HA GLY 9 -16.934 -14.044 -2.773
41 HA3 GLY 9 2HA GLY 9 -15.496 -14.418 -3.711
42 H GLU 10 H GLU 10 -14.090 -12.863 -3.154
43 HA GLU 10 HA GLU 10 -14.807 -10.112 -3.830
44 HB2 GLU 10 1HB GLU 10 -14.016 -9.195 -1.773
45 HB3 GLU 10 2HB GLU 10 -15.174 -10.455 -1.368
46 HG2 GLU 10 1HG GLU 10 -12.185 -10.799 -1.344
47 HG3 GLU 10 2HG GLU 10 -13.175 -10.457 0.073
48 H LYS 11 H LYS 11 -12.903 -8.695 -3.996
49 HA LYS 11 HA LYS 11 -10.819 -9.969 -5.449
50 HB2 LYS 11 1HB LYS 11 -11.225 -7.142 -4.486
51 HB3 LYS 11 2HB LYS 11 -9.792 -7.630 -5.380
52 HG2 LYS 11 1HG LYS 11 -12.484 -8.227 -6.508
53 HG3 LYS 11 2HG LYS 11 -11.839 -6.588 -6.614
54 HD2 LYS 11 1HD LYS 11 -10.025 -7.262 -7.926
55 HD3 LYS 11 2HD LYS 11 -10.211 -8.958 -7.473
56 HE2 LYS 11 1HE LYS 11 -12.265 -7.441 -9.069
57 HE3 LYS 11 2HE LYS 11 -10.948 -8.348 -9.811
58 HZ1 LYS 11 3HZ LYS 11 -12.021 -10.250 -9.489
59 HZ2 LYS 11 1HZ LYS 11 -13.388 -9.339 -9.084
60 HZ3 LYS 11 2HZ LYS 11 -12.353 -9.897 -7.868
61 H CYS 12 H CYS 12 -8.517 -9.802 -4.973
62 HA CYS 12 HA CYS 12 -7.963 -9.878 -2.080
63 HB2 CYS 12 1HB CYS 12 -6.755 -11.587 -4.265
64 HB3 CYS 12 2HB CYS 12 -6.215 -11.575 -2.591
65 HG CYS 12 HG CYS 12 -7.668 -13.885 -2.872
66 H TYR 13 H TYR 13 -7.764 -7.512 -3.485
67 HA TYR 13 HA TYR 13 -5.594 -6.692 -4.792
68 HB2 TYR 13 1HB TYR 13 -7.100 -5.463 -2.537
69 HB3 TYR 13 2HB TYR 13 -5.594 -4.693 -3.023
70 HD1 TYR 13 HD1 TYR 13 -8.317 -6.328 -4.992
71 HD2 TYR 13 HD2 TYR 13 -6.092 -2.784 -4.225
72 HE1 TYR 13 HE1 TYR 13 -9.495 -5.198 -6.832
73 HE2 TYR 13 HE2 TYR 13 -7.265 -1.643 -6.062
74 HH TYR 13 HH TYR 13 -8.469 -2.427 -8.243
75 H LYS 14 H LYS 14 -3.614 -7.550 -4.621
76 HA LYS 14 HA LYS 14 -2.297 -7.427 -1.987
77 HB2 LYS 14 1HB LYS 14 -2.678 -9.749 -2.555
78 HB3 LYS 14 2HB LYS 14 -1.978 -9.513 -4.151
79 HG2 LYS 14 1HG LYS 14 0.185 -8.957 -3.031
80 HG3 LYS 14 2HG LYS 14 -0.555 -9.435 -1.502
81 HD2 LYS 14 1HD LYS 14 -0.725 -11.669 -2.143
82 HD3 LYS 14 2HD LYS 14 -0.574 -11.286 -3.860
83 HE2 LYS 14 1HE LYS 14 1.790 -10.409 -3.123
84 HE3 LYS 14 2HE LYS 14 1.535 -11.500 -1.762
85 HZ1 LYS 14 3HZ LYS 14 2.686 -12.666 -3.478
86 HZ2 LYS 14 1HZ LYS 14 1.541 -12.220 -4.641
87 HZ3 LYS 14 2HZ LYS 14 1.114 -13.285 -3.399
88 H CYS 15 H CYS 15 -0.316 -6.498 -1.894
89 HA CYS 15 HA CYS 15 0.576 -5.057 -4.242
90 HB2 CYS 15 1HB CYS 15 0.518 -3.937 -2.052
91 HB3 CYS 15 2HB CYS 15 1.685 -5.098 -1.427
92 H ASP 16 H ASP 16 2.243 -5.579 -5.512
93 HA ASP 16 HA ASP 16 3.665 -8.059 -4.972
94 HB2 ASP 16 1HB ASP 16 2.736 -7.703 -7.211
95 HB3 ASP 16 2HB ASP 16 3.708 -6.245 -7.393
96 H VAL 17 H VAL 17 4.210 -4.640 -4.931
97 HA VAL 17 HA VAL 17 6.954 -4.461 -5.243
98 HB VAL 17 HB VAL 17 5.210 -2.871 -3.356
99 HG11 VAL 17 1HG1 VAL 17 7.565 -1.564 -4.469
100 HG12 VAL 17 2HG1 VAL 17 6.965 -1.598 -2.810
101 HG13 VAL 17 3HG1 VAL 17 7.957 -2.924 -3.417
102 HG21 VAL 17 3HG2 VAL 17 5.234 -1.202 -5.196
103 HG22 VAL 17 1HG2 VAL 17 6.043 -2.394 -6.214
104 HG23 VAL 17 2HG2 VAL 17 4.412 -2.703 -5.620
105 H CYS 18 H CYS 18 5.245 -4.641 -2.113
106 HA CYS 18 HA CYS 18 7.699 -5.751 -0.933
107 HB2 CYS 18 1HB CYS 18 6.732 -5.062 1.243
108 HB3 CYS 18 2HB CYS 18 6.952 -3.706 0.140
109 H GLY 19 H GLY 19 4.162 -6.137 -0.913
110 HA2 GLY 19 1HA GLY 19 3.403 -8.481 -1.297
111 HA3 GLY 19 2HA GLY 19 4.588 -8.943 -0.084
112 H LYS 20 H LYS 20 1.824 -6.719 -0.447
113 HA LYS 20 HA LYS 20 0.963 -7.532 2.253
114 HB2 LYS 20 1HB LYS 20 1.822 -5.111 1.890
115 HB3 LYS 20 2HB LYS 20 0.293 -4.856 1.061
116 HG2 LYS 20 1HG LYS 20 -0.934 -5.008 2.978
117 HG3 LYS 20 2HG LYS 20 0.233 -6.066 3.773
118 HD2 LYS 20 1HD LYS 20 1.764 -3.923 3.618
119 HD3 LYS 20 2HD LYS 20 0.206 -3.096 3.533
120 HE2 LYS 20 1HE LYS 20 -0.477 -4.217 5.614
121 HE3 LYS 20 2HE LYS 20 1.104 -4.992 5.703
122 HZ1 LYS 20 3HZ LYS 20 0.560 -2.076 5.835
123 HZ2 LYS 20 1HZ LYS 20 2.105 -2.764 5.805
124 HZ3 LYS 20 2HZ LYS 20 1.071 -3.065 7.109
125 H GLU 21 H GLU 21 -1.429 -7.129 2.603
126 HA GLU 21 HA GLU 21 -3.015 -7.427 0.165
127 HB2 GLU 21 1HB GLU 21 -2.651 -9.478 2.284
128 HB3 GLU 21 2HB GLU 21 -4.277 -9.262 1.652
129 HG2 GLU 21 1HG GLU 21 -3.259 -9.530 -0.654
130 HG3 GLU 21 2HG GLU 21 -1.803 -10.084 0.171
131 H PHE 22 H PHE 22 -4.977 -6.474 0.267
132 HA PHE 22 HA PHE 22 -5.906 -5.529 2.895
133 HB2 PHE 22 1HB PHE 22 -6.021 -3.951 0.316
134 HB3 PHE 22 2HB PHE 22 -6.588 -3.414 1.894
135 HD1 PHE 22 HD1 PHE 22 -3.558 -4.385 0.001
136 HD2 PHE 22 HD2 PHE 22 -5.136 -2.374 3.405
137 HE1 PHE 22 HE1 PHE 22 -1.333 -3.447 0.474
138 HE2 PHE 22 HE2 PHE 22 -2.914 -1.432 3.882
139 HZ PHE 22 HZ PHE 22 -1.009 -1.967 2.416
140 H SER 23 H SER 23 -8.254 -4.752 2.741
141 HA SER 23 HA SER 23 -9.768 -6.868 1.418
142 HB2 SER 23 1HB SER 23 -10.317 -4.977 3.677
143 HB3 SER 23 2HB SER 23 -11.671 -5.711 2.818
144 HG SER 23 HG SER 23 -10.463 -7.763 3.235
145 H GLN 24 H GLN 24 -9.662 -3.332 1.616
146 HA GLN 24 HA GLN 24 -11.571 -3.160 -0.601
147 HB2 GLN 24 1HB GLN 24 -10.478 -1.014 1.227
148 HB3 GLN 24 2HB GLN 24 -11.650 -0.744 -0.057
149 HG2 GLN 24 1HG GLN 24 -12.095 -2.564 2.297
150 HG3 GLN 24 2HG GLN 24 -12.642 -0.891 2.206
151 HE21 GLN 24 1HE2 GLN 24 -14.687 -0.694 1.684
152 HE22 GLN 24 2HE2 GLN 24 -15.591 -1.754 0.662
153 H SER 25 H SER 25 -11.126 -1.743 -2.399
154 HA SER 25 HA SER 25 -8.557 -2.158 -3.503
155 HB2 SER 25 1HB SER 25 -10.744 -0.266 -4.404
156 HB3 SER 25 2HB SER 25 -9.353 -0.761 -5.369
157 HG SER 25 HG SER 25 -10.590 -2.347 -5.964
158 H SER 26 H SER 26 -10.154 0.746 -2.225
159 HA SER 26 HA SER 26 -8.158 2.600 -2.749
160 HB2 SER 26 1HB SER 26 -10.345 3.290 -1.952
161 HB3 SER 26 2HB SER 26 -10.077 2.476 -0.411
162 HG SER 26 HG SER 26 -8.242 4.418 -1.249
163 H HIS 27 H HIS 27 -8.578 0.524 0.099
164 HA HIS 27 HA HIS 27 -6.607 1.393 1.755
165 HB2 HIS 27 1HB HIS 27 -7.452 -1.426 1.102
166 HB3 HIS 27 2HB HIS 27 -6.285 -1.068 2.371
167 HD1 HIS 27 HD1 HIS 27 -8.954 -2.407 3.060
168 HD2 HIS 27 HD2 HIS 27 -8.322 1.698 3.165
169 HE1 HIS 27 HE1 HIS 27 -10.692 -1.499 4.634
170 H LEU 28 H LEU 28 -6.145 -0.900 -0.929
171 HA LEU 28 HA LEU 28 -3.374 -1.199 -0.631
172 HB2 LEU 28 1HB LEU 28 -4.612 -2.750 -1.960
173 HB3 LEU 28 2HB LEU 28 -5.160 -1.469 -3.039
174 HG LEU 28 HG LEU 28 -2.778 -1.183 -3.766
175 HD11 LEU 28 1HD1 LEU 28 -1.213 -2.126 -2.500
176 HD12 LEU 28 2HD1 LEU 28 -1.707 -3.672 -3.191
177 HD13 LEU 28 3HD1 LEU 28 -2.394 -3.131 -1.660
178 HD21 LEU 28 3HD2 LEU 28 -4.316 -3.715 -4.210
179 HD22 LEU 28 1HD2 LEU 28 -2.768 -3.443 -5.010
180 HD23 LEU 28 2HD2 LEU 28 -4.109 -2.331 -5.285
181 H GLN 29 H GLN 29 -5.158 0.827 -2.966
182 HA GLN 29 HA GLN 29 -3.127 2.100 -4.231
183 HB2 GLN 29 1HB GLN 29 -5.765 3.200 -3.278
184 HB3 GLN 29 2HB GLN 29 -4.664 4.143 -4.273
185 HG2 GLN 29 1HG GLN 29 -4.764 2.344 -5.983
186 HG3 GLN 29 2HG GLN 29 -5.992 1.545 -5.003
187 HE21 GLN 29 1HE2 GLN 29 -6.019 2.783 -7.728
188 HE22 GLN 29 2HE2 GLN 29 -7.357 3.875 -7.699
189 H THR 30 H THR 30 -4.437 2.950 -1.050
190 HA THR 30 HA THR 30 -2.806 5.216 -0.630
191 HB THR 30 HB THR 30 -4.012 3.408 1.473
192 HG1 THR 30 HG1 THR 30 -5.174 5.826 0.616
193 HG21 THR 30 3HG2 THR 30 -3.319 4.873 3.014
194 HG22 THR 30 1HG2 THR 30 -3.844 6.251 2.048
195 HG23 THR 30 2HG2 THR 30 -2.258 5.532 1.769
196 H HIS 31 H HIS 31 -2.485 1.857 0.510
197 HA HIS 31 HA HIS 31 -0.127 2.120 1.939
198 HB2 HIS 31 1HB HIS 31 -1.083 0.044 2.224
199 HB3 HIS 31 2HB HIS 31 -1.456 -0.138 0.512
200 HD1 HIS 31 HD1 HIS 31 1.536 -0.269 2.841
201 HD2 HIS 31 HD2 HIS 31 0.309 -1.686 -0.868
202 HE1 HIS 31 HE1 HIS 31 3.343 -1.851 2.093
203 H GLN 32 H GLN 32 -0.548 1.382 -1.510
204 HA GLN 32 HA GLN 32 2.024 0.931 -2.295
205 HB2 GLN 32 1HB GLN 32 -0.079 2.552 -3.739
206 HB3 GLN 32 2HB GLN 32 1.397 1.953 -4.484
207 HG2 GLN 32 1HG GLN 32 0.697 -0.344 -4.013
208 HG3 GLN 32 2HG GLN 32 -0.790 0.266 -3.289
209 HE21 GLN 32 1HE2 GLN 32 0.392 -1.112 -5.962
210 HE22 GLN 32 2HE2 GLN 32 -0.706 -0.498 -7.146
211 H ARG 33 H ARG 33 0.725 3.854 -1.051
212 HA ARG 33 HA ARG 33 2.354 5.796 -2.166
213 HB2 ARG 33 1HB ARG 33 1.240 5.568 0.631
214 HB3 ARG 33 2HB ARG 33 2.045 7.009 0.024
215 HG2 ARG 33 1HG ARG 33 -0.214 5.908 -1.555
216 HG3 ARG 33 2HG ARG 33 -0.577 6.742 -0.043
217 HD2 ARG 33 1HD ARG 33 -0.636 8.496 -1.518
218 HD3 ARG 33 2HD ARG 33 1.053 8.551 -1.016
219 HE ARG 33 HE ARG 33 0.848 6.902 -3.268
220 HH11 ARG 33 1HH1 ARG 33 0.505 10.252 -2.386
221 HH12 ARG 33 2HH1 ARG 33 0.956 10.845 -3.950
222 HH21 ARG 33 1HH2 ARG 33 1.444 7.670 -5.331
223 HH22 ARG 33 2HH2 ARG 33 1.489 9.376 -5.625
224 H VAL 34 H VAL 34 3.042 3.504 0.413
225 HA VAL 34 HA VAL 34 5.452 4.617 1.326
226 HB VAL 34 HB VAL 34 5.943 2.457 2.293
227 HG11 VAL 34 1HG1 VAL 34 3.454 1.991 3.169
228 HG12 VAL 34 2HG1 VAL 34 4.429 3.356 3.716
229 HG13 VAL 34 3HG1 VAL 34 3.217 3.586 2.455
230 HG21 VAL 34 3HG2 VAL 34 3.585 1.111 1.138
231 HG22 VAL 34 1HG2 VAL 34 4.951 1.357 0.049
232 HG23 VAL 34 2HG2 VAL 34 5.172 0.464 1.554
233 H HIS 35 H HIS 35 4.700 3.177 -1.639
234 HA HIS 35 HA HIS 35 7.546 2.653 -2.193
235 HB2 HIS 35 1HB HIS 35 5.279 1.590 -3.860
236 HB3 HIS 35 2HB HIS 35 6.936 1.003 -3.755
237 HD1 HIS 35 HD1 HIS 35 7.417 0.298 -0.978
238 HD2 HIS 35 HD2 HIS 35 3.653 -0.189 -2.667
239 HE1 HIS 35 HE1 HIS 35 6.251 -1.405 0.459
240 H THR 36 H THR 36 4.658 4.319 -3.220
241 HA THR 36 HA THR 36 5.374 5.146 -5.768
242 HB THR 36 HB THR 36 3.843 7.012 -5.487
243 HG1 THR 36 HG1 THR 36 3.076 7.590 -3.468
244 HG21 THR 36 3HG2 THR 36 2.388 5.333 -5.830
245 HG22 THR 36 1HG2 THR 36 2.011 5.514 -4.117
246 HG23 THR 36 2HG2 THR 36 3.167 4.289 -4.641
247 H GLY 37 H GLY 37 7.074 6.252 -6.466
248 HA2 GLY 37 1HA GLY 37 7.923 8.714 -5.957
249 HA3 GLY 37 2HA GLY 37 8.619 7.862 -4.587
250 H GLU 38 H GLU 38 9.532 5.554 -5.587
251 HA GLU 38 HA GLU 38 11.796 6.424 -7.141
252 HB2 GLU 38 1HB GLU 38 11.663 4.653 -5.199
253 HB3 GLU 38 2HB GLU 38 11.270 3.548 -6.509
254 HG2 GLU 38 1HG GLU 38 13.782 5.145 -6.128
255 HG3 GLU 38 2HG GLU 38 13.596 3.392 -6.159
256 H LYS 39 H LYS 39 9.728 6.874 -8.745
257 HA LYS 39 HA LYS 39 10.005 4.792 -10.798
258 HB2 LYS 39 1HB LYS 39 7.455 6.063 -9.821
259 HB3 LYS 39 2HB LYS 39 7.574 5.340 -11.420
260 HG2 LYS 39 1HG LYS 39 8.204 3.851 -8.885
261 HG3 LYS 39 2HG LYS 39 6.607 3.871 -9.636
262 HD2 LYS 39 1HD LYS 39 7.720 3.038 -11.743
263 HD3 LYS 39 2HD LYS 39 9.176 2.787 -10.776
264 HE2 LYS 39 1HE LYS 39 7.555 1.462 -9.214
265 HE3 LYS 39 2HE LYS 39 6.544 1.376 -10.655
266 HZ1 LYS 39 3HZ LYS 39 7.818 -0.521 -10.810
267 HZ2 LYS 39 1HZ LYS 39 9.210 0.215 -10.192
268 HZ3 LYS 39 2HZ LYS 39 8.703 0.555 -11.769
269 HA PRO 40 HA PRO 40 10.777 9.213 -12.252
270 HB2 PRO 40 1HB PRO 40 13.379 8.861 -12.941
271 HB3 PRO 40 2HB PRO 40 12.874 9.372 -11.326
272 HG2 PRO 40 1HG PRO 40 13.651 6.648 -12.294
273 HG3 PRO 40 2HG PRO 40 14.094 7.468 -10.786
274 HD2 PRO 40 1HD PRO 40 12.145 5.592 -10.906
275 HD3 PRO 40 2HD PRO 40 12.089 6.955 -9.771
276 H SER 41 H SER 41 10.517 6.144 -13.415
277 HA SER 41 HA SER 41 11.326 6.763 -16.150
278 HB2 SER 41 1HB SER 41 11.930 4.561 -15.253
279 HB3 SER 41 2HB SER 41 10.229 4.206 -14.953
280 HG SER 41 HG SER 41 11.239 3.401 -16.988
281 H GLY 42 H GLY 42 9.933 6.985 -17.851
282 HA2 GLY 42 1HA GLY 42 7.049 6.876 -17.223
283 HA3 GLY 42 2HA GLY 42 7.747 8.237 -18.088
284 HA PRO 43 HA PRO 43 6.628 4.461 -20.871
285 HB2 PRO 43 1HB PRO 43 4.016 4.953 -21.425
286 HB3 PRO 43 2HB PRO 43 4.536 3.916 -20.092
287 HG2 PRO 43 1HG PRO 43 3.667 6.780 -20.035
288 HG3 PRO 43 2HG PRO 43 3.250 5.462 -18.924
289 HD2 PRO 43 1HD PRO 43 5.133 7.318 -18.341
290 HD3 PRO 43 2HD PRO 43 5.235 5.642 -17.766
291 H SER 44 H SER 44 5.513 4.720 -23.136
292 HA SER 44 HA SER 44 6.125 7.418 -24.154
293 HB2 SER 44 1HB SER 44 7.761 5.487 -24.723
294 HB3 SER 44 2HB SER 44 6.488 4.933 -25.811
295 HG SER 44 HG SER 44 8.136 6.417 -26.699
296 H SER 45 H SER 45 3.969 8.070 -24.108
297 HA SER 45 HA SER 45 1.965 6.513 -25.508
298 HB2 SER 45 1HB SER 45 1.955 9.007 -23.855
299 HB3 SER 45 2HB SER 45 0.609 8.714 -24.957
300 HG SER 45 HG SER 45 0.490 6.583 -23.907
301 H GLY 46 H GLY 46 0.433 7.986 -26.944
302 HA2 GLY 46 1HA GLY 46 0.294 9.638 -28.655
303 HA3 GLY 46 2HA GLY 46 2.050 9.685 -28.710
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -6.745 -19.159 -21.625
2 HA2 GLY 1 1HA GLY 1 -6.619 -16.300 -21.862
3 HA3 GLY 1 2HA GLY 1 -8.030 -17.249 -21.420
4 H SER 2 H SER 2 -8.716 -16.081 -19.687
5 HA SER 2 HA SER 2 -7.482 -16.540 -17.191
6 HB2 SER 2 1HB SER 2 -6.736 -14.330 -16.590
7 HB3 SER 2 2HB SER 2 -5.944 -14.772 -18.103
8 HG SER 2 HG SER 2 -8.030 -13.627 -18.950
9 H SER 3 H SER 3 -8.767 -15.868 -15.439
10 HA SER 3 HA SER 3 -11.375 -14.718 -16.187
11 HB2 SER 3 1HB SER 3 -12.516 -16.246 -14.777
12 HB3 SER 3 2HB SER 3 -11.363 -17.226 -15.683
13 HG SER 3 HG SER 3 -9.950 -16.972 -13.812
14 H GLY 4 H GLY 4 -12.237 -13.194 -14.845
15 HA2 GLY 4 1HA GLY 4 -11.122 -12.733 -12.211
16 HA3 GLY 4 2HA GLY 4 -10.747 -11.485 -13.391
17 H SER 5 H SER 5 -12.925 -11.007 -14.761
18 HA SER 5 HA SER 5 -14.491 -9.335 -13.394
19 HB2 SER 5 1HB SER 5 -15.323 -11.202 -15.616
20 HB3 SER 5 2HB SER 5 -16.380 -9.933 -14.999
21 HG SER 5 HG SER 5 -15.184 -8.462 -15.946
22 H SER 6 H SER 6 -15.510 -12.715 -13.924
23 HA SER 6 HA SER 6 -17.735 -12.762 -12.325
24 HB2 SER 6 1HB SER 6 -16.632 -14.629 -13.792
25 HB3 SER 6 2HB SER 6 -15.864 -15.107 -12.278
26 HG SER 6 HG SER 6 -18.622 -14.648 -12.282
27 H GLY 7 H GLY 7 -17.921 -12.014 -10.315
28 HA2 GLY 7 1HA GLY 7 -16.720 -13.250 -8.112
29 HA3 GLY 7 2HA GLY 7 -15.798 -11.798 -8.470
30 H MET 8 H MET 8 -17.750 -10.036 -9.235
31 HA MET 8 HA MET 8 -18.924 -8.397 -8.104
32 HB2 MET 8 1HB MET 8 -21.235 -9.116 -7.686
33 HB3 MET 8 2HB MET 8 -20.634 -9.734 -9.218
34 HG2 MET 8 1HG MET 8 -20.450 -11.912 -8.403
35 HG3 MET 8 2HG MET 8 -20.534 -11.385 -6.724
36 HE1 MET 8 3HE MET 8 -22.272 -11.932 -5.423
37 HE2 MET 8 1HE MET 8 -23.089 -10.386 -5.655
38 HE3 MET 8 2HE MET 8 -24.000 -11.890 -5.777
39 H GLY 9 H GLY 9 -16.978 -9.402 -6.383
40 HA2 GLY 9 1HA GLY 9 -18.269 -8.889 -3.829
41 HA3 GLY 9 2HA GLY 9 -17.495 -10.459 -3.985
42 H GLU 10 H GLU 10 -16.054 -9.909 -2.292
43 HA GLU 10 HA GLU 10 -14.316 -7.642 -2.519
44 HB2 GLU 10 1HB GLU 10 -14.356 -10.042 -0.698
45 HB3 GLU 10 2HB GLU 10 -13.086 -8.828 -0.622
46 HG2 GLU 10 1HG GLU 10 -14.568 -7.156 0.075
47 HG3 GLU 10 2HG GLU 10 -15.983 -8.095 -0.399
48 H LYS 11 H LYS 11 -12.488 -7.487 -3.632
49 HA LYS 11 HA LYS 11 -11.394 -9.892 -4.884
50 HB2 LYS 11 1HB LYS 11 -11.078 -6.947 -5.419
51 HB3 LYS 11 2HB LYS 11 -10.000 -8.133 -6.144
52 HG2 LYS 11 1HG LYS 11 -12.952 -8.462 -6.419
53 HG3 LYS 11 2HG LYS 11 -12.095 -7.304 -7.438
54 HD2 LYS 11 1HD LYS 11 -10.519 -9.209 -8.021
55 HD3 LYS 11 2HD LYS 11 -11.696 -10.281 -7.258
56 HE2 LYS 11 1HE LYS 11 -12.268 -10.329 -9.521
57 HE3 LYS 11 2HE LYS 11 -13.413 -9.190 -8.815
58 HZ1 LYS 11 3HZ LYS 11 -12.744 -7.826 -10.428
59 HZ2 LYS 11 1HZ LYS 11 -11.369 -8.746 -10.783
60 HZ3 LYS 11 2HZ LYS 11 -11.328 -7.614 -9.527
61 H CYS 12 H CYS 12 -9.380 -10.667 -4.496
62 HA CYS 12 HA CYS 12 -8.084 -9.878 -2.077
63 HB2 CYS 12 1HB CYS 12 -8.069 -12.207 -2.704
64 HB3 CYS 12 2HB CYS 12 -7.298 -11.836 -4.241
65 HG CYS 12 HG CYS 12 -4.876 -12.042 -3.417
66 H TYR 13 H TYR 13 -7.618 -7.651 -2.579
67 HA TYR 13 HA TYR 13 -5.786 -6.999 -4.686
68 HB2 TYR 13 1HB TYR 13 -7.156 -5.514 -2.499
69 HB3 TYR 13 2HB TYR 13 -5.701 -4.797 -3.182
70 HD1 TYR 13 HD1 TYR 13 -8.537 -6.683 -4.725
71 HD2 TYR 13 HD2 TYR 13 -6.306 -3.062 -4.581
72 HE1 TYR 13 HE1 TYR 13 -9.860 -5.800 -6.601
73 HE2 TYR 13 HE2 TYR 13 -7.625 -2.169 -6.456
74 HH TYR 13 HH TYR 13 -10.180 -2.778 -7.363
75 H LYS 14 H LYS 14 -3.848 -8.006 -4.473
76 HA LYS 14 HA LYS 14 -2.406 -7.712 -1.931
77 HB2 LYS 14 1HB LYS 14 -2.595 -10.003 -2.731
78 HB3 LYS 14 2HB LYS 14 -1.903 -9.545 -4.282
79 HG2 LYS 14 1HG LYS 14 0.222 -9.405 -3.451
80 HG3 LYS 14 2HG LYS 14 -0.323 -9.032 -1.815
81 HD2 LYS 14 1HD LYS 14 -1.306 -11.472 -1.944
82 HD3 LYS 14 2HD LYS 14 -0.062 -11.669 -3.181
83 HE2 LYS 14 1HE LYS 14 1.653 -11.005 -1.611
84 HE3 LYS 14 2HE LYS 14 0.437 -10.665 -0.381
85 HZ1 LYS 14 3HZ LYS 14 1.314 -13.278 -1.432
86 HZ2 LYS 14 1HZ LYS 14 -0.196 -13.111 -0.688
87 HZ3 LYS 14 2HZ LYS 14 1.215 -12.759 0.175
88 H CYS 15 H CYS 15 -0.131 -7.151 -1.998
89 HA CYS 15 HA CYS 15 0.410 -5.180 -4.099
90 HB2 CYS 15 1HB CYS 15 0.564 -4.204 -1.941
91 HB3 CYS 15 2HB CYS 15 1.497 -5.559 -1.312
92 H ASP 16 H ASP 16 1.826 -5.610 -5.647
93 HA ASP 16 HA ASP 16 3.548 -7.954 -5.390
94 HB2 ASP 16 1HB ASP 16 3.306 -6.266 -7.864
95 HB3 ASP 16 2HB ASP 16 3.700 -7.977 -7.728
96 H VAL 17 H VAL 17 4.343 -5.870 -3.772
97 HA VAL 17 HA VAL 17 6.871 -5.090 -5.054
98 HB VAL 17 HB VAL 17 5.239 -3.282 -3.265
99 HG11 VAL 17 1HG1 VAL 17 7.783 -2.705 -4.778
100 HG12 VAL 17 2HG1 VAL 17 6.922 -1.614 -3.690
101 HG13 VAL 17 3HG1 VAL 17 7.702 -3.063 -3.053
102 HG21 VAL 17 3HG2 VAL 17 4.898 -3.792 -5.982
103 HG22 VAL 17 1HG2 VAL 17 4.261 -2.423 -5.071
104 HG23 VAL 17 2HG2 VAL 17 5.802 -2.279 -5.916
105 H CYS 18 H CYS 18 5.122 -5.308 -1.962
106 HA CYS 18 HA CYS 18 7.653 -6.131 -0.694
107 HB2 CYS 18 1HB CYS 18 6.799 -5.202 1.405
108 HB3 CYS 18 2HB CYS 18 6.855 -3.967 0.152
109 H GLY 19 H GLY 19 4.152 -6.616 -0.807
110 HA2 GLY 19 1HA GLY 19 3.511 -9.029 -0.891
111 HA3 GLY 19 2HA GLY 19 4.566 -9.235 0.499
112 H LYS 20 H LYS 20 2.444 -6.480 0.053
113 HA LYS 20 HA LYS 20 1.089 -7.169 2.540
114 HB2 LYS 20 1HB LYS 20 2.038 -4.819 1.766
115 HB3 LYS 20 2HB LYS 20 0.460 -4.690 1.001
116 HG2 LYS 20 1HG LYS 20 -0.667 -4.812 3.060
117 HG3 LYS 20 2HG LYS 20 0.776 -5.374 3.906
118 HD2 LYS 20 1HD LYS 20 1.730 -3.275 3.949
119 HD3 LYS 20 2HD LYS 20 0.823 -2.719 2.540
120 HE2 LYS 20 1HE LYS 20 -0.305 -1.596 4.171
121 HE3 LYS 20 2HE LYS 20 -1.228 -3.098 4.172
122 HZ1 LYS 20 3HZ LYS 20 0.512 -3.791 5.947
123 HZ2 LYS 20 1HZ LYS 20 -0.792 -2.808 6.390
124 HZ3 LYS 20 2HZ LYS 20 0.733 -2.124 6.132
125 H GLU 21 H GLU 21 -1.295 -6.774 2.665
126 HA GLU 21 HA GLU 21 -2.742 -7.245 0.179
127 HB2 GLU 21 1HB GLU 21 -2.441 -9.220 2.379
128 HB3 GLU 21 2HB GLU 21 -4.036 -9.062 1.658
129 HG2 GLU 21 1HG GLU 21 -2.869 -9.365 -0.585
130 HG3 GLU 21 2HG GLU 21 -1.472 -9.894 0.350
131 H PHE 22 H PHE 22 -4.905 -6.635 0.243
132 HA PHE 22 HA PHE 22 -5.925 -5.543 2.763
133 HB2 PHE 22 1HB PHE 22 -6.115 -3.995 0.179
134 HB3 PHE 22 2HB PHE 22 -6.520 -3.444 1.802
135 HD1 PHE 22 HD1 PHE 22 -3.664 -4.570 -0.289
136 HD2 PHE 22 HD2 PHE 22 -4.953 -2.304 3.076
137 HE1 PHE 22 HE1 PHE 22 -1.393 -3.655 -0.039
138 HE2 PHE 22 HE2 PHE 22 -2.685 -1.384 3.330
139 HZ PHE 22 HZ PHE 22 -0.902 -2.059 1.771
140 H SER 23 H SER 23 -8.291 -4.803 2.416
141 HA SER 23 HA SER 23 -9.659 -7.012 1.079
142 HB2 SER 23 1HB SER 23 -10.222 -6.594 3.431
143 HB3 SER 23 2HB SER 23 -10.708 -4.947 3.030
144 HG SER 23 HG SER 23 -12.431 -6.578 3.166
145 H GLN 24 H GLN 24 -9.680 -3.472 1.212
146 HA GLN 24 HA GLN 24 -11.422 -3.423 -1.151
147 HB2 GLN 24 1HB GLN 24 -10.738 -1.338 0.915
148 HB3 GLN 24 2HB GLN 24 -11.558 -0.936 -0.589
149 HG2 GLN 24 1HG GLN 24 -12.609 -3.003 1.316
150 HG3 GLN 24 2HG GLN 24 -13.010 -1.291 1.450
151 HE21 GLN 24 1HE2 GLN 24 -15.206 -1.906 1.126
152 HE22 GLN 24 2HE2 GLN 24 -15.800 -2.225 -0.464
153 H SER 25 H SER 25 -10.922 -1.432 -2.608
154 HA SER 25 HA SER 25 -8.267 -1.840 -3.635
155 HB2 SER 25 1HB SER 25 -9.881 -1.595 -5.322
156 HB3 SER 25 2HB SER 25 -10.644 -0.221 -4.521
157 HG SER 25 HG SER 25 -8.201 -0.306 -5.939
158 H SER 26 H SER 26 -10.058 0.920 -2.290
159 HA SER 26 HA SER 26 -8.079 2.853 -2.497
160 HB2 SER 26 1HB SER 26 -9.232 3.949 -0.550
161 HB3 SER 26 2HB SER 26 -10.315 3.480 -1.861
162 HG SER 26 HG SER 26 -10.417 1.420 -0.447
163 H HIS 27 H HIS 27 -8.524 0.334 -0.088
164 HA HIS 27 HA HIS 27 -6.719 1.225 1.847
165 HB2 HIS 27 1HB HIS 27 -7.565 -1.559 1.044
166 HB3 HIS 27 2HB HIS 27 -6.517 -1.241 2.422
167 HD1 HIS 27 HD1 HIS 27 -9.325 -2.543 2.721
168 HD2 HIS 27 HD2 HIS 27 -8.518 1.504 3.202
169 HE1 HIS 27 HE1 HIS 27 -11.173 -1.657 4.178
170 H LEU 28 H LEU 28 -6.180 -0.886 -0.961
171 HA LEU 28 HA LEU 28 -3.410 -1.254 -0.482
172 HB2 LEU 28 1HB LEU 28 -4.536 -2.843 -1.833
173 HB3 LEU 28 2HB LEU 28 -5.129 -1.593 -2.925
174 HG LEU 28 HG LEU 28 -2.779 -1.220 -3.667
175 HD11 LEU 28 1HD1 LEU 28 -1.665 -2.100 -1.670
176 HD12 LEU 28 2HD1 LEU 28 -1.098 -2.891 -3.141
177 HD13 LEU 28 3HD1 LEU 28 -2.232 -3.720 -2.074
178 HD21 LEU 28 3HD2 LEU 28 -2.727 -3.790 -4.583
179 HD22 LEU 28 1HD2 LEU 28 -3.677 -2.480 -5.285
180 HD23 LEU 28 2HD2 LEU 28 -4.423 -3.593 -4.139
181 H GLN 29 H GLN 29 -5.193 0.877 -2.702
182 HA GLN 29 HA GLN 29 -3.109 2.101 -4.000
183 HB2 GLN 29 1HB GLN 29 -5.651 3.409 -3.017
184 HB3 GLN 29 2HB GLN 29 -4.587 4.061 -4.256
185 HG2 GLN 29 1HG GLN 29 -5.795 1.345 -4.563
186 HG3 GLN 29 2HG GLN 29 -6.715 2.795 -4.962
187 HE21 GLN 29 1HE2 GLN 29 -6.668 3.259 -7.029
188 HE22 GLN 29 2HE2 GLN 29 -5.348 2.992 -8.111
189 H THR 30 H THR 30 -4.443 2.910 -0.820
190 HA THR 30 HA THR 30 -2.901 5.197 -0.329
191 HB THR 30 HB THR 30 -3.993 3.199 1.662
192 HG1 THR 30 HG1 THR 30 -5.773 4.063 0.843
193 HG21 THR 30 3HG2 THR 30 -2.947 6.006 2.032
194 HG22 THR 30 1HG2 THR 30 -2.293 4.525 2.730
195 HG23 THR 30 2HG2 THR 30 -3.870 5.123 3.247
196 H HIS 31 H HIS 31 -2.350 1.849 0.777
197 HA HIS 31 HA HIS 31 0.057 2.199 2.064
198 HB2 HIS 31 1HB HIS 31 -0.797 0.064 2.309
199 HB3 HIS 31 2HB HIS 31 -1.172 -0.097 0.596
200 HD1 HIS 31 HD1 HIS 31 1.944 0.101 2.777
201 HD2 HIS 31 HD2 HIS 31 0.573 -1.691 -0.712
202 HE1 HIS 31 HE1 HIS 31 3.815 -1.393 2.008
203 H GLN 32 H GLN 32 -0.510 1.675 -1.393
204 HA GLN 32 HA GLN 32 2.051 1.349 -2.315
205 HB2 GLN 32 1HB GLN 32 -0.361 2.685 -3.483
206 HB3 GLN 32 2HB GLN 32 1.167 2.735 -4.352
207 HG2 GLN 32 1HG GLN 32 0.153 0.114 -3.377
208 HG3 GLN 32 2HG GLN 32 -0.588 0.846 -4.799
209 HE21 GLN 32 1HE2 GLN 32 0.166 -0.756 -6.166
210 HE22 GLN 32 2HE2 GLN 32 1.830 -0.885 -6.615
211 H ARG 33 H ARG 33 0.625 4.186 -0.956
212 HA ARG 33 HA ARG 33 2.161 6.221 -2.024
213 HB2 ARG 33 1HB ARG 33 1.012 5.839 0.735
214 HB3 ARG 33 2HB ARG 33 1.862 7.308 0.274
215 HG2 ARG 33 1HG ARG 33 0.225 7.553 -1.608
216 HG3 ARG 33 2HG ARG 33 -0.683 6.217 -0.896
217 HD2 ARG 33 1HD ARG 33 -1.170 7.445 1.048
218 HD3 ARG 33 2HD ARG 33 0.061 8.656 0.690
219 HE ARG 33 HE ARG 33 -2.634 8.589 -0.287
220 HH11 ARG 33 1HH1 ARG 33 0.604 9.685 -0.946
221 HH12 ARG 33 2HH1 ARG 33 0.095 10.989 -1.967
222 HH21 ARG 33 1HH2 ARG 33 -3.317 10.302 -1.629
223 HH22 ARG 33 2HH2 ARG 33 -2.136 11.339 -2.354
224 H VAL 34 H VAL 34 3.177 3.588 -0.136
225 HA VAL 34 HA VAL 34 5.546 4.901 0.910
226 HB VAL 34 HB VAL 34 6.083 2.803 1.955
227 HG11 VAL 34 1HG1 VAL 34 4.599 3.287 3.532
228 HG12 VAL 34 2HG1 VAL 34 3.643 4.186 2.354
229 HG13 VAL 34 3HG1 VAL 34 3.336 2.469 2.614
230 HG21 VAL 34 3HG2 VAL 34 4.035 1.710 0.068
231 HG22 VAL 34 1HG2 VAL 34 5.665 1.130 0.410
232 HG23 VAL 34 2HG2 VAL 34 4.375 0.881 1.587
233 H HIS 35 H HIS 35 4.628 2.836 -1.743
234 HA HIS 35 HA HIS 35 7.401 2.333 -2.479
235 HB2 HIS 35 1HB HIS 35 4.856 1.483 -3.876
236 HB3 HIS 35 2HB HIS 35 6.482 0.909 -4.234
237 HD1 HIS 35 HD1 HIS 35 7.546 0.146 -1.538
238 HD2 HIS 35 HD2 HIS 35 3.626 -0.608 -2.689
239 HE1 HIS 35 HE1 HIS 35 6.767 -1.744 -0.073
240 H THR 36 H THR 36 4.678 4.294 -3.435
241 HA THR 36 HA THR 36 5.419 5.061 -5.994
242 HB THR 36 HB THR 36 3.269 5.685 -4.976
243 HG1 THR 36 HG1 THR 36 4.535 7.013 -6.682
244 HG21 THR 36 3HG2 THR 36 3.065 7.423 -3.360
245 HG22 THR 36 1HG2 THR 36 4.780 7.816 -3.470
246 HG23 THR 36 2HG2 THR 36 4.269 6.293 -2.741
247 H GLY 37 H GLY 37 6.454 6.384 -2.872
248 HA2 GLY 37 1HA GLY 37 8.384 7.530 -2.337
249 HA3 GLY 37 2HA GLY 37 8.932 7.286 -3.988
250 H GLU 38 H GLU 38 6.648 9.216 -2.067
251 HA GLU 38 HA GLU 38 5.682 11.260 -2.564
252 HB2 GLU 38 1HB GLU 38 8.652 11.767 -2.786
253 HB3 GLU 38 2HB GLU 38 7.445 13.037 -2.650
254 HG2 GLU 38 1HG GLU 38 6.845 12.364 -0.466
255 HG3 GLU 38 2HG GLU 38 7.748 10.857 -0.608
256 H LYS 39 H LYS 39 5.340 9.824 -4.803
257 HA LYS 39 HA LYS 39 5.889 11.785 -6.923
258 HB2 LYS 39 1HB LYS 39 7.257 9.504 -6.894
259 HB3 LYS 39 2HB LYS 39 5.788 8.894 -7.644
260 HG2 LYS 39 1HG LYS 39 7.172 11.329 -8.704
261 HG3 LYS 39 2HG LYS 39 7.689 9.703 -9.159
262 HD2 LYS 39 1HD LYS 39 6.187 10.075 -10.830
263 HD3 LYS 39 2HD LYS 39 5.083 9.427 -9.615
264 HE2 LYS 39 1HE LYS 39 3.985 11.337 -10.335
265 HE3 LYS 39 2HE LYS 39 4.819 11.894 -8.885
266 HZ1 LYS 39 3HZ LYS 39 6.388 13.035 -10.130
267 HZ2 LYS 39 1HZ LYS 39 4.956 13.320 -10.984
268 HZ3 LYS 39 2HZ LYS 39 6.061 12.171 -11.547
269 HA PRO 40 HA PRO 40 1.393 10.308 -6.524
270 HB2 PRO 40 1HB PRO 40 0.340 12.623 -5.573
271 HB3 PRO 40 2HB PRO 40 0.946 11.339 -4.520
272 HG2 PRO 40 1HG PRO 40 2.284 13.876 -5.376
273 HG3 PRO 40 2HG PRO 40 2.240 13.120 -3.773
274 HD2 PRO 40 1HD PRO 40 4.372 12.901 -5.428
275 HD3 PRO 40 2HD PRO 40 3.904 11.614 -4.297
276 H SER 41 H SER 41 1.882 10.438 -8.877
277 HA SER 41 HA SER 41 1.793 11.440 -10.962
278 HB2 SER 41 1HB SER 41 -0.877 11.806 -9.635
279 HB3 SER 41 2HB SER 41 -0.618 12.378 -11.283
280 HG SER 41 HG SER 41 -0.716 9.778 -10.289
281 H GLY 42 H GLY 42 3.315 13.109 -9.514
282 HA2 GLY 42 1HA GLY 42 2.180 15.793 -9.635
283 HA3 GLY 42 2HA GLY 42 3.750 15.355 -8.980
284 HA PRO 43 HA PRO 43 3.850 16.872 -13.551
285 HB2 PRO 43 1HB PRO 43 4.101 19.554 -13.212
286 HB3 PRO 43 2HB PRO 43 2.539 18.755 -13.431
287 HG2 PRO 43 1HG PRO 43 3.860 19.673 -10.906
288 HG3 PRO 43 2HG PRO 43 2.165 19.828 -11.403
289 HD2 PRO 43 1HD PRO 43 3.009 17.918 -9.679
290 HD3 PRO 43 2HD PRO 43 1.660 17.661 -10.803
291 H SER 44 H SER 44 5.749 17.711 -14.586
292 HA SER 44 HA SER 44 8.118 17.455 -12.907
293 HB2 SER 44 1HB SER 44 7.674 16.331 -15.252
294 HB3 SER 44 2HB SER 44 8.260 17.876 -15.868
295 HG SER 44 HG SER 44 9.616 16.036 -14.196
296 H SER 45 H SER 45 6.726 19.787 -12.412
297 HA SER 45 HA SER 45 8.262 21.880 -13.788
298 HB2 SER 45 1HB SER 45 6.582 23.447 -12.870
299 HB3 SER 45 2HB SER 45 5.836 22.184 -13.848
300 HG SER 45 HG SER 45 4.938 22.743 -11.639
301 H GLY 46 H GLY 46 9.663 20.358 -11.946
302 HA2 GLY 46 1HA GLY 46 11.127 20.656 -10.201
303 HA3 GLY 46 2HA GLY 46 10.709 22.362 -10.245
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -33.748 -17.886 -5.869
2 HA2 GLY 1 1HA GLY 1 -33.829 -15.753 -5.025
3 HA3 GLY 1 2HA GLY 1 -33.152 -16.423 -3.548
4 H SER 2 H SER 2 -32.290 -15.215 -6.762
5 HA SER 2 HA SER 2 -29.608 -14.577 -5.731
6 HB2 SER 2 1HB SER 2 -29.393 -15.963 -7.649
7 HB3 SER 2 2HB SER 2 -30.620 -15.057 -8.534
8 HG SER 2 HG SER 2 -29.124 -13.737 -9.170
9 H SER 3 H SER 3 -29.521 -12.557 -5.001
10 HA SER 3 HA SER 3 -30.666 -10.426 -6.678
11 HB2 SER 3 1HB SER 3 -30.944 -10.843 -3.718
12 HB3 SER 3 2HB SER 3 -30.993 -9.213 -4.389
13 HG SER 3 HG SER 3 -32.802 -9.720 -5.513
14 H GLY 4 H GLY 4 -28.822 -9.656 -7.572
15 HA2 GLY 4 1HA GLY 4 -27.117 -8.021 -6.013
16 HA3 GLY 4 2HA GLY 4 -26.301 -9.530 -6.393
17 H SER 5 H SER 5 -26.037 -6.592 -7.257
18 HA SER 5 HA SER 5 -26.600 -6.488 -10.030
19 HB2 SER 5 1HB SER 5 -26.307 -4.412 -8.900
20 HB3 SER 5 2HB SER 5 -24.737 -4.900 -8.262
21 HG SER 5 HG SER 5 -25.124 -4.805 -11.039
22 H SER 6 H SER 6 -23.506 -6.915 -8.306
23 HA SER 6 HA SER 6 -22.437 -8.189 -10.738
24 HB2 SER 6 1HB SER 6 -20.231 -7.480 -10.050
25 HB3 SER 6 2HB SER 6 -21.302 -6.079 -10.006
26 HG SER 6 HG SER 6 -21.157 -6.014 -7.882
27 H GLY 7 H GLY 7 -22.375 -8.323 -7.186
28 HA2 GLY 7 1HA GLY 7 -22.899 -10.821 -6.583
29 HA3 GLY 7 2HA GLY 7 -21.319 -11.054 -7.318
30 H MET 8 H MET 8 -19.874 -11.412 -5.775
31 HA MET 8 HA MET 8 -20.076 -9.880 -3.273
32 HB2 MET 8 1HB MET 8 -20.095 -12.440 -3.257
33 HB3 MET 8 2HB MET 8 -18.395 -12.343 -3.698
34 HG2 MET 8 1HG MET 8 -17.760 -11.572 -1.655
35 HG3 MET 8 2HG MET 8 -19.306 -10.784 -1.348
36 HE1 MET 8 3HE MET 8 -17.209 -13.832 -1.454
37 HE2 MET 8 1HE MET 8 -18.010 -15.028 -0.434
38 HE3 MET 8 2HE MET 8 -18.509 -14.826 -2.114
39 H GLY 9 H GLY 9 -17.800 -10.944 -5.772
40 HA2 GLY 9 1HA GLY 9 -16.020 -9.693 -6.632
41 HA3 GLY 9 2HA GLY 9 -16.213 -8.551 -5.309
42 H GLU 10 H GLU 10 -15.609 -9.452 -3.105
43 HA GLU 10 HA GLU 10 -14.005 -10.255 -1.707
44 HB2 GLU 10 1HB GLU 10 -13.965 -12.408 -3.817
45 HB3 GLU 10 2HB GLU 10 -12.958 -12.481 -2.378
46 HG2 GLU 10 1HG GLU 10 -15.943 -12.187 -2.260
47 HG3 GLU 10 2HG GLU 10 -15.132 -13.751 -2.296
48 H LYS 11 H LYS 11 -13.235 -8.217 -3.425
49 HA LYS 11 HA LYS 11 -10.892 -8.660 -4.885
50 HB2 LYS 11 1HB LYS 11 -12.174 -6.291 -3.614
51 HB3 LYS 11 2HB LYS 11 -10.495 -6.138 -4.116
52 HG2 LYS 11 1HG LYS 11 -11.747 -5.357 -5.928
53 HG3 LYS 11 2HG LYS 11 -11.256 -6.990 -6.386
54 HD2 LYS 11 1HD LYS 11 -13.487 -7.782 -5.529
55 HD3 LYS 11 2HD LYS 11 -13.949 -6.085 -5.382
56 HE2 LYS 11 1HE LYS 11 -14.774 -6.886 -7.473
57 HE3 LYS 11 2HE LYS 11 -13.416 -5.813 -7.807
58 HZ1 LYS 11 3HZ LYS 11 -13.223 -7.749 -9.168
59 HZ2 LYS 11 1HZ LYS 11 -13.385 -8.781 -7.836
60 HZ3 LYS 11 2HZ LYS 11 -12.005 -7.817 -7.996
61 H CYS 12 H CYS 12 -9.451 -9.989 -3.819
62 HA CYS 12 HA CYS 12 -8.477 -9.230 -1.188
63 HB2 CYS 12 1HB CYS 12 -8.906 -11.627 -1.870
64 HB3 CYS 12 2HB CYS 12 -7.510 -11.498 -2.932
65 HG CYS 12 HG CYS 12 -6.630 -10.499 0.061
66 H TYR 13 H TYR 13 -7.942 -7.277 -3.062
67 HA TYR 13 HA TYR 13 -5.748 -7.171 -4.569
68 HB2 TYR 13 1HB TYR 13 -6.866 -5.248 -2.595
69 HB3 TYR 13 2HB TYR 13 -5.270 -4.895 -3.246
70 HD1 TYR 13 HD2 TYR 13 -5.499 -5.806 -6.018
71 HD2 TYR 13 HD1 TYR 13 -8.315 -3.732 -3.595
72 HE1 TYR 13 HE2 TYR 13 -6.530 -4.857 -8.039
73 HE2 TYR 13 HE1 TYR 13 -9.354 -2.777 -5.610
74 HH TYR 13 HH TYR 13 -9.397 -3.700 -8.270
75 H LYS 14 H LYS 14 -3.607 -7.461 -4.432
76 HA LYS 14 HA LYS 14 -2.322 -7.495 -1.802
77 HB2 LYS 14 1HB LYS 14 -2.887 -9.820 -2.233
78 HB3 LYS 14 2HB LYS 14 -2.148 -9.733 -3.827
79 HG2 LYS 14 1HG LYS 14 0.005 -9.120 -2.540
80 HG3 LYS 14 2HG LYS 14 -0.839 -9.789 -1.141
81 HD2 LYS 14 1HD LYS 14 -1.093 -11.912 -2.244
82 HD3 LYS 14 2HD LYS 14 -0.432 -11.258 -3.744
83 HE2 LYS 14 1HE LYS 14 1.223 -11.072 -1.282
84 HE3 LYS 14 2HE LYS 14 1.051 -12.651 -2.047
85 HZ1 LYS 14 3HZ LYS 14 2.433 -12.061 -3.663
86 HZ2 LYS 14 1HZ LYS 14 2.816 -10.685 -2.756
87 HZ3 LYS 14 2HZ LYS 14 1.621 -10.605 -3.950
88 H CYS 15 H CYS 15 -0.564 -6.271 -1.851
89 HA CYS 15 HA CYS 15 0.462 -5.189 -4.267
90 HB2 CYS 15 1HB CYS 15 0.554 -3.905 -2.211
91 HB3 CYS 15 2HB CYS 15 1.555 -5.136 -1.448
92 H ASP 16 H ASP 16 2.494 -5.490 -5.232
93 HA ASP 16 HA ASP 16 3.608 -8.170 -4.803
94 HB2 ASP 16 1HB ASP 16 2.822 -7.641 -7.079
95 HB3 ASP 16 2HB ASP 16 3.947 -6.288 -7.148
96 H VAL 17 H VAL 17 4.506 -4.769 -5.012
97 HA VAL 17 HA VAL 17 7.227 -4.832 -5.013
98 HB VAL 17 HB VAL 17 5.568 -3.049 -3.225
99 HG11 VAL 17 1HG1 VAL 17 7.460 -2.034 -2.660
100 HG12 VAL 17 2HG1 VAL 17 8.358 -3.287 -3.518
101 HG13 VAL 17 3HG1 VAL 17 7.885 -1.809 -4.356
102 HG21 VAL 17 3HG2 VAL 17 4.957 -1.821 -5.005
103 HG22 VAL 17 1HG2 VAL 17 6.518 -2.020 -5.801
104 HG23 VAL 17 2HG2 VAL 17 5.299 -3.288 -5.922
105 H CYS 18 H CYS 18 5.232 -4.931 -2.054
106 HA CYS 18 HA CYS 18 7.534 -6.089 -0.637
107 HB2 CYS 18 1HB CYS 18 6.442 -5.348 1.429
108 HB3 CYS 18 2HB CYS 18 6.674 -3.999 0.322
109 H GLY 19 H GLY 19 4.031 -6.427 -1.089
110 HA2 GLY 19 1HA GLY 19 3.218 -8.712 -1.506
111 HA3 GLY 19 2HA GLY 19 4.307 -9.242 -0.233
112 H LYS 20 H LYS 20 2.193 -6.412 -0.194
113 HA LYS 20 HA LYS 20 1.072 -7.280 2.327
114 HB2 LYS 20 1HB LYS 20 1.724 -4.882 1.725
115 HB3 LYS 20 2HB LYS 20 0.262 -4.843 0.747
116 HG2 LYS 20 1HG LYS 20 -1.118 -4.809 2.556
117 HG3 LYS 20 2HG LYS 20 0.012 -5.702 3.576
118 HD2 LYS 20 1HD LYS 20 0.680 -2.934 2.656
119 HD3 LYS 20 2HD LYS 20 -0.405 -3.175 4.027
120 HE2 LYS 20 1HE LYS 20 1.259 -4.261 5.285
121 HE3 LYS 20 2HE LYS 20 2.283 -4.507 3.872
122 HZ1 LYS 20 3HZ LYS 20 3.337 -2.715 4.687
123 HZ2 LYS 20 1HZ LYS 20 1.998 -2.172 5.568
124 HZ3 LYS 20 2HZ LYS 20 2.107 -1.851 3.911
125 H GLU 21 H GLU 21 -1.363 -6.967 2.628
126 HA GLU 21 HA GLU 21 -2.911 -7.755 0.280
127 HB2 GLU 21 1HB GLU 21 -2.389 -9.448 2.665
128 HB3 GLU 21 2HB GLU 21 -4.027 -9.452 2.026
129 HG2 GLU 21 1HG GLU 21 -2.951 -9.942 -0.237
130 HG3 GLU 21 2HG GLU 21 -1.494 -10.314 0.682
131 H PHE 22 H PHE 22 -4.728 -6.621 0.187
132 HA PHE 22 HA PHE 22 -5.867 -5.585 2.699
133 HB2 PHE 22 1HB PHE 22 -6.057 -4.152 0.054
134 HB3 PHE 22 2HB PHE 22 -6.392 -3.518 1.662
135 HD1 PHE 22 HD1 PHE 22 -3.670 -4.728 -0.539
136 HD2 PHE 22 HD2 PHE 22 -4.721 -2.463 2.907
137 HE1 PHE 22 HE1 PHE 22 -1.367 -3.873 -0.404
138 HE2 PHE 22 HE2 PHE 22 -2.421 -1.603 3.048
139 HZ PHE 22 HZ PHE 22 -0.740 -2.306 1.390
140 H SER 23 H SER 23 -8.219 -4.817 2.292
141 HA SER 23 HA SER 23 -9.604 -7.036 0.966
142 HB2 SER 23 1HB SER 23 -10.503 -5.090 3.099
143 HB3 SER 23 2HB SER 23 -11.577 -6.259 2.331
144 HG SER 23 HG SER 23 -10.753 -7.770 3.533
145 H GLN 24 H GLN 24 -9.651 -3.504 1.244
146 HA GLN 24 HA GLN 24 -11.406 -3.384 -1.109
147 HB2 GLN 24 1HB GLN 24 -10.812 -1.385 1.067
148 HB3 GLN 24 2HB GLN 24 -11.656 -0.948 -0.412
149 HG2 GLN 24 1HG GLN 24 -12.635 -3.208 1.279
150 HG3 GLN 24 2HG GLN 24 -13.015 -1.539 1.699
151 HE21 GLN 24 1HE2 GLN 24 -14.919 -3.492 1.027
152 HE22 GLN 24 2HE2 GLN 24 -15.695 -3.007 -0.438
153 H SER 25 H SER 25 -10.974 -1.516 -2.602
154 HA SER 25 HA SER 25 -8.370 -1.729 -3.659
155 HB2 SER 25 1HB SER 25 -10.402 -1.186 -4.998
156 HB3 SER 25 2HB SER 25 -10.426 0.412 -4.252
157 HG SER 25 HG SER 25 -8.084 -0.483 -5.509
158 H SER 26 H SER 26 -9.975 1.177 -2.348
159 HA SER 26 HA SER 26 -7.956 2.952 -2.283
160 HB2 SER 26 1HB SER 26 -10.058 2.404 -0.193
161 HB3 SER 26 2HB SER 26 -8.932 3.754 -0.042
162 HG SER 26 HG SER 26 -11.164 3.613 -1.488
163 H HIS 27 H HIS 27 -8.526 0.569 0.307
164 HA HIS 27 HA HIS 27 -6.504 1.099 2.026
165 HB2 HIS 27 1HB HIS 27 -7.500 -1.580 1.061
166 HB3 HIS 27 2HB HIS 27 -6.350 -1.417 2.384
167 HD1 HIS 27 HD1 HIS 27 -7.484 -1.588 4.561
168 HD2 HIS 27 HD2 HIS 27 -9.888 0.266 1.724
169 HE1 HIS 27 HE1 HIS 27 -9.626 -1.031 5.755
170 H LEU 28 H LEU 28 -6.189 -0.797 -0.963
171 HA LEU 28 HA LEU 28 -3.395 -1.241 -0.661
172 HB2 LEU 28 1HB LEU 28 -4.565 -2.778 -2.002
173 HB3 LEU 28 2HB LEU 28 -5.306 -1.498 -2.961
174 HG LEU 28 HG LEU 28 -3.086 -1.013 -3.949
175 HD11 LEU 28 1HD1 LEU 28 -1.381 -1.705 -2.644
176 HD12 LEU 28 2HD1 LEU 28 -1.543 -3.179 -3.597
177 HD13 LEU 28 3HD1 LEU 28 -2.283 -3.077 -2.000
178 HD21 LEU 28 3HD2 LEU 28 -3.895 -2.320 -5.550
179 HD22 LEU 28 1HD2 LEU 28 -4.744 -3.321 -4.371
180 HD23 LEU 28 2HD2 LEU 28 -3.070 -3.683 -4.792
181 H GLN 29 H GLN 29 -5.222 0.859 -2.893
182 HA GLN 29 HA GLN 29 -3.203 2.150 -4.170
183 HB2 GLN 29 1HB GLN 29 -5.877 3.108 -3.215
184 HB3 GLN 29 2HB GLN 29 -4.777 4.230 -4.006
185 HG2 GLN 29 1HG GLN 29 -4.696 2.736 -5.959
186 HG3 GLN 29 2HG GLN 29 -5.859 1.673 -5.168
187 HE21 GLN 29 1HE2 GLN 29 -7.211 2.020 -7.008
188 HE22 GLN 29 2HE2 GLN 29 -8.167 3.454 -7.127
189 H THR 30 H THR 30 -4.496 2.981 -0.971
190 HA THR 30 HA THR 30 -2.899 5.232 -0.499
191 HB THR 30 HB THR 30 -3.919 3.288 1.579
192 HG1 THR 30 HG1 THR 30 -5.675 3.988 0.403
193 HG21 THR 30 3HG2 THR 30 -3.627 6.226 2.001
194 HG22 THR 30 1HG2 THR 30 -2.191 5.207 2.091
195 HG23 THR 30 2HG2 THR 30 -3.554 4.909 3.171
196 H HIS 31 H HIS 31 -2.393 1.846 0.486
197 HA HIS 31 HA HIS 31 -0.018 2.095 1.844
198 HB2 HIS 31 1HB HIS 31 -0.939 -0.043 1.893
199 HB3 HIS 31 2HB HIS 31 -1.162 -0.096 0.146
200 HD1 HIS 31 HD1 HIS 31 1.763 -0.010 2.586
201 HD2 HIS 31 HD2 HIS 31 0.687 -1.629 -1.086
202 HE1 HIS 31 HE1 HIS 31 3.700 -1.457 1.896
203 H GLN 32 H GLN 32 -0.493 1.805 -1.654
204 HA GLN 32 HA GLN 32 2.088 1.540 -2.532
205 HB2 GLN 32 1HB GLN 32 -0.189 3.135 -3.703
206 HB3 GLN 32 2HB GLN 32 1.337 2.896 -4.545
207 HG2 GLN 32 1HG GLN 32 -0.134 0.517 -3.530
208 HG3 GLN 32 2HG GLN 32 -0.712 1.330 -4.983
209 HE21 GLN 32 1HE2 GLN 32 0.114 -1.253 -5.117
210 HE22 GLN 32 2HE2 GLN 32 1.603 -1.357 -5.986
211 H ARG 33 H ARG 33 0.639 4.276 -1.004
212 HA ARG 33 HA ARG 33 2.212 6.374 -1.890
213 HB2 ARG 33 1HB ARG 33 0.965 5.810 0.793
214 HB3 ARG 33 2HB ARG 33 1.846 7.298 0.473
215 HG2 ARG 33 1HG ARG 33 0.277 7.663 -1.470
216 HG3 ARG 33 2HG ARG 33 -0.683 6.331 -0.825
217 HD2 ARG 33 1HD ARG 33 -1.242 7.504 1.104
218 HD3 ARG 33 2HD ARG 33 0.103 8.630 0.923
219 HE ARG 33 HE ARG 33 -2.497 8.799 -0.332
220 HH11 ARG 33 1HH1 ARG 33 0.814 9.875 -0.337
221 HH12 ARG 33 2HH1 ARG 33 0.475 11.334 -1.208
222 HH21 ARG 33 1HH2 ARG 33 -2.956 10.716 -1.479
223 HH22 ARG 33 2HH2 ARG 33 -1.670 11.812 -1.856
224 H VAL 34 H VAL 34 3.156 3.612 -0.155
225 HA VAL 34 HA VAL 34 5.516 4.851 1.016
226 HB VAL 34 HB VAL 34 6.003 2.649 1.945
227 HG11 VAL 34 1HG1 VAL 34 4.681 3.456 3.551
228 HG12 VAL 34 2HG1 VAL 34 3.517 4.092 2.387
229 HG13 VAL 34 3HG1 VAL 34 3.428 2.404 2.894
230 HG21 VAL 34 3HG2 VAL 34 5.230 0.755 1.071
231 HG22 VAL 34 1HG2 VAL 34 3.561 1.300 1.234
232 HG23 VAL 34 2HG2 VAL 34 4.486 1.713 -0.209
233 H HIS 35 H HIS 35 4.601 3.038 -1.782
234 HA HIS 35 HA HIS 35 7.380 2.423 -2.448
235 HB2 HIS 35 1HB HIS 35 4.822 1.707 -3.899
236 HB3 HIS 35 2HB HIS 35 6.435 1.140 -4.322
237 HD1 HIS 35 HD1 HIS 35 7.377 0.436 -1.423
238 HD2 HIS 35 HD2 HIS 35 3.749 -0.688 -3.107
239 HE1 HIS 35 HE1 HIS 35 6.642 -1.599 -0.141
240 H THR 36 H THR 36 4.753 4.522 -3.371
241 HA THR 36 HA THR 36 5.432 5.380 -5.873
242 HB THR 36 HB THR 36 3.471 6.234 -4.697
243 HG1 THR 36 HG1 THR 36 4.487 7.479 -6.430
244 HG21 THR 36 3HG2 THR 36 4.722 6.514 -2.494
245 HG22 THR 36 1HG2 THR 36 3.565 7.777 -2.912
246 HG23 THR 36 2HG2 THR 36 5.293 8.053 -3.138
247 H GLY 37 H GLY 37 6.526 7.393 -6.573
248 HA2 GLY 37 1HA GLY 37 9.179 7.463 -6.285
249 HA3 GLY 37 2HA GLY 37 8.259 8.945 -6.500
250 H GLU 38 H GLU 38 10.568 7.576 -4.662
251 HA GLU 38 HA GLU 38 9.899 9.281 -2.358
252 HB2 GLU 38 1HB GLU 38 10.894 7.643 -0.853
253 HB3 GLU 38 2HB GLU 38 9.569 6.921 -1.756
254 HG2 GLU 38 1HG GLU 38 11.067 5.742 -3.172
255 HG3 GLU 38 2HG GLU 38 12.455 6.627 -2.540
256 H LYS 39 H LYS 39 12.105 9.257 -0.910
257 HA LYS 39 HA LYS 39 14.194 10.134 -0.711
258 HB2 LYS 39 1HB LYS 39 14.506 8.673 -3.331
259 HB3 LYS 39 2HB LYS 39 15.839 9.517 -2.554
260 HG2 LYS 39 1HG LYS 39 15.349 8.084 -0.511
261 HG3 LYS 39 2HG LYS 39 14.336 7.111 -1.581
262 HD2 LYS 39 1HD LYS 39 16.339 5.992 -1.738
263 HD3 LYS 39 2HD LYS 39 16.476 7.110 -3.097
264 HE2 LYS 39 1HE LYS 39 17.552 7.716 -0.352
265 HE3 LYS 39 2HE LYS 39 18.505 6.918 -1.602
266 HZ1 LYS 39 3HZ LYS 39 17.621 9.693 -1.428
267 HZ2 LYS 39 1HZ LYS 39 17.665 9.000 -2.970
268 HZ3 LYS 39 2HZ LYS 39 19.068 9.053 -2.028
269 HA PRO 40 HA PRO 40 12.876 13.529 -3.720
270 HB2 PRO 40 1HB PRO 40 11.904 15.246 -1.856
271 HB3 PRO 40 2HB PRO 40 10.905 14.021 -2.647
272 HG2 PRO 40 1HG PRO 40 12.205 13.954 0.050
273 HG3 PRO 40 2HG PRO 40 10.574 13.438 -0.420
274 HD2 PRO 40 1HD PRO 40 12.611 11.688 -0.067
275 HD3 PRO 40 2HD PRO 40 11.316 11.420 -1.252
276 H SER 41 H SER 41 15.231 13.624 -3.866
277 HA SER 41 HA SER 41 16.576 15.298 -1.891
278 HB2 SER 41 1HB SER 41 17.460 13.462 -4.067
279 HB3 SER 41 2HB SER 41 18.535 14.790 -3.631
280 HG SER 41 HG SER 41 18.412 14.030 -1.453
281 H GLY 42 H GLY 42 17.533 17.273 -2.358
282 HA2 GLY 42 1HA GLY 42 18.167 19.042 -3.825
283 HA3 GLY 42 2HA GLY 42 17.040 18.415 -5.019
284 HA PRO 43 HA PRO 43 15.036 22.099 -3.124
285 HB2 PRO 43 1HB PRO 43 13.966 22.985 -5.456
286 HB3 PRO 43 2HB PRO 43 15.612 23.375 -4.945
287 HG2 PRO 43 1HG PRO 43 14.672 21.285 -6.871
288 HG3 PRO 43 2HG PRO 43 16.050 22.393 -7.007
289 HD2 PRO 43 1HD PRO 43 16.330 19.805 -6.263
290 HD3 PRO 43 2HD PRO 43 17.390 21.093 -5.656
291 H SER 44 H SER 44 12.744 22.680 -3.064
292 HA SER 44 HA SER 44 11.042 20.631 -2.504
293 HB2 SER 44 1HB SER 44 10.586 23.461 -3.352
294 HB3 SER 44 2HB SER 44 9.195 22.383 -3.231
295 HG SER 44 HG SER 44 9.901 21.931 -1.061
296 H SER 45 H SER 45 10.903 22.485 -5.552
297 HA SER 45 HA SER 45 9.088 20.824 -6.859
298 HB2 SER 45 1HB SER 45 11.269 22.593 -7.984
299 HB3 SER 45 2HB SER 45 10.023 21.825 -8.968
300 HG SER 45 HG SER 45 9.581 23.650 -6.838
301 H GLY 46 H GLY 46 9.232 18.829 -7.644
302 HA2 GLY 46 1HA GLY 46 11.823 17.831 -8.579
303 HA3 GLY 46 2HA GLY 46 11.011 16.934 -7.305
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -1.253 -29.358 3.947
2 HA2 GLY 1 1HA GLY 1 -3.212 -28.186 4.212
3 HA3 GLY 1 2HA GLY 1 -2.515 -27.079 3.038
4 H SER 2 H SER 2 -4.369 -30.085 3.325
5 HA SER 2 HA SER 2 -5.220 -30.052 0.594
6 HB2 SER 2 1HB SER 2 -6.954 -31.755 1.601
7 HB3 SER 2 2HB SER 2 -5.253 -32.202 1.461
8 HG SER 2 HG SER 2 -6.353 -31.048 3.801
9 H SER 3 H SER 3 -6.215 -28.438 3.421
10 HA SER 3 HA SER 3 -8.569 -27.409 2.011
11 HB2 SER 3 1HB SER 3 -8.520 -28.708 4.709
12 HB3 SER 3 2HB SER 3 -9.660 -27.399 4.405
13 HG SER 3 HG SER 3 -9.499 -29.425 2.501
14 H GLY 4 H GLY 4 -8.629 -25.257 2.017
15 HA2 GLY 4 1HA GLY 4 -8.491 -23.360 3.794
16 HA3 GLY 4 2HA GLY 4 -6.799 -23.834 3.819
17 H SER 5 H SER 5 -9.374 -22.619 1.722
18 HA SER 5 HA SER 5 -7.935 -22.076 -0.567
19 HB2 SER 5 1HB SER 5 -9.663 -20.579 -1.178
20 HB3 SER 5 2HB SER 5 -10.444 -21.766 -0.133
21 HG SER 5 HG SER 5 -10.653 -20.297 1.417
22 H SER 6 H SER 6 -7.051 -20.076 -1.396
23 HA SER 6 HA SER 6 -5.575 -18.626 0.683
24 HB2 SER 6 1HB SER 6 -5.051 -18.683 -2.297
25 HB3 SER 6 2HB SER 6 -3.989 -18.034 -1.048
26 HG SER 6 HG SER 6 -3.224 -20.041 -1.442
27 H GLY 7 H GLY 7 -7.063 -17.084 1.320
28 HA2 GLY 7 1HA GLY 7 -7.740 -14.848 1.191
29 HA3 GLY 7 2HA GLY 7 -7.376 -14.861 -0.529
30 H MET 8 H MET 8 -9.746 -15.726 1.911
31 HA MET 8 HA MET 8 -11.713 -16.627 0.038
32 HB2 MET 8 1HB MET 8 -11.508 -17.201 2.546
33 HB3 MET 8 2HB MET 8 -12.311 -15.662 2.823
34 HG2 MET 8 1HG MET 8 -14.262 -16.373 1.685
35 HG3 MET 8 2HG MET 8 -13.453 -17.810 1.064
36 HE1 MET 8 3HE MET 8 -15.111 -19.695 1.944
37 HE2 MET 8 1HE MET 8 -13.379 -19.979 2.114
38 HE3 MET 8 2HE MET 8 -14.476 -20.414 3.424
39 H GLY 9 H GLY 9 -13.272 -15.505 -0.990
40 HA2 GLY 9 1HA GLY 9 -14.772 -13.429 -0.523
41 HA3 GLY 9 2HA GLY 9 -13.235 -12.588 -0.662
42 H GLU 10 H GLU 10 -14.693 -11.541 -2.377
43 HA GLU 10 HA GLU 10 -14.972 -13.049 -4.829
44 HB2 GLU 10 1HB GLU 10 -15.515 -10.150 -4.170
45 HB3 GLU 10 2HB GLU 10 -15.831 -10.881 -5.738
46 HG2 GLU 10 1HG GLU 10 -17.613 -12.095 -4.972
47 HG3 GLU 10 2HG GLU 10 -17.017 -12.130 -3.314
48 H LYS 11 H LYS 11 -12.665 -10.949 -3.379
49 HA LYS 11 HA LYS 11 -10.819 -11.362 -5.534
50 HB2 LYS 11 1HB LYS 11 -12.211 -8.752 -5.206
51 HB3 LYS 11 2HB LYS 11 -10.491 -8.713 -5.571
52 HG2 LYS 11 1HG LYS 11 -11.131 -10.363 -7.476
53 HG3 LYS 11 2HG LYS 11 -12.756 -9.719 -7.230
54 HD2 LYS 11 1HD LYS 11 -10.359 -7.952 -7.657
55 HD3 LYS 11 2HD LYS 11 -11.332 -8.571 -8.993
56 HE2 LYS 11 1HE LYS 11 -12.518 -7.054 -6.682
57 HE3 LYS 11 2HE LYS 11 -11.916 -6.255 -8.133
58 HZ1 LYS 11 3HZ LYS 11 -14.425 -7.240 -7.784
59 HZ2 LYS 11 1HZ LYS 11 -13.678 -8.435 -8.720
60 HZ3 LYS 11 2HZ LYS 11 -13.722 -6.836 -9.269
61 H CYS 12 H CYS 12 -8.722 -10.106 -5.075
62 HA CYS 12 HA CYS 12 -8.315 -9.442 -2.280
63 HB2 CYS 12 1HB CYS 12 -7.998 -12.022 -2.792
64 HB3 CYS 12 2HB CYS 12 -6.435 -11.480 -3.390
65 HG CYS 12 HG CYS 12 -5.622 -12.140 -0.978
66 H TYR 13 H TYR 13 -7.196 -7.619 -2.318
67 HA TYR 13 HA TYR 13 -5.522 -6.977 -4.607
68 HB2 TYR 13 1HB TYR 13 -6.688 -5.433 -2.330
69 HB3 TYR 13 2HB TYR 13 -5.273 -4.786 -3.152
70 HD1 TYR 13 HD1 TYR 13 -8.150 -6.661 -4.589
71 HD2 TYR 13 HD2 TYR 13 -6.091 -2.946 -4.332
72 HE1 TYR 13 HE1 TYR 13 -9.600 -5.743 -6.351
73 HE2 TYR 13 HE2 TYR 13 -7.536 -2.017 -6.092
74 HH TYR 13 HH TYR 13 -9.449 -2.348 -7.270
75 H LYS 14 H LYS 14 -3.558 -7.880 -4.543
76 HA LYS 14 HA LYS 14 -2.066 -7.828 -2.010
77 HB2 LYS 14 1HB LYS 14 -2.493 -9.992 -3.436
78 HB3 LYS 14 2HB LYS 14 -1.165 -9.375 -4.410
79 HG2 LYS 14 1HG LYS 14 -0.803 -9.555 -1.464
80 HG3 LYS 14 2HG LYS 14 -0.746 -11.036 -2.422
81 HD2 LYS 14 1HD LYS 14 0.837 -8.699 -3.359
82 HD3 LYS 14 2HD LYS 14 1.424 -9.591 -1.954
83 HE2 LYS 14 1HE LYS 14 0.803 -10.741 -4.672
84 HE3 LYS 14 2HE LYS 14 2.408 -10.462 -4.001
85 HZ1 LYS 14 3HZ LYS 14 2.005 -12.708 -3.631
86 HZ2 LYS 14 1HZ LYS 14 0.394 -12.459 -3.177
87 HZ3 LYS 14 2HZ LYS 14 1.646 -12.001 -2.137
88 H CYS 15 H CYS 15 -0.085 -6.856 -1.864
89 HA CYS 15 HA CYS 15 0.606 -5.050 -4.058
90 HB2 CYS 15 1HB CYS 15 0.309 -4.206 -1.695
91 HB3 CYS 15 2HB CYS 15 1.765 -5.099 -1.269
92 H ASP 16 H ASP 16 1.486 -6.796 -5.357
93 HA ASP 16 HA ASP 16 3.414 -8.597 -4.825
94 HB2 ASP 16 1HB ASP 16 3.677 -6.790 -7.224
95 HB3 ASP 16 2HB ASP 16 4.092 -8.497 -7.095
96 H VAL 17 H VAL 17 3.860 -5.124 -5.008
97 HA VAL 17 HA VAL 17 6.573 -4.843 -5.192
98 HB VAL 17 HB VAL 17 4.748 -3.298 -3.344
99 HG11 VAL 17 1HG1 VAL 17 6.534 -1.491 -3.847
100 HG12 VAL 17 2HG1 VAL 17 6.877 -2.720 -2.628
101 HG13 VAL 17 3HG1 VAL 17 7.569 -2.862 -4.244
102 HG21 VAL 17 3HG2 VAL 17 4.122 -3.379 -5.781
103 HG22 VAL 17 1HG2 VAL 17 4.428 -1.767 -5.134
104 HG23 VAL 17 2HG2 VAL 17 5.649 -2.566 -6.124
105 H CYS 18 H CYS 18 4.825 -5.056 -2.085
106 HA CYS 18 HA CYS 18 7.308 -6.042 -0.855
107 HB2 CYS 18 1HB CYS 18 6.295 -5.351 1.296
108 HB3 CYS 18 2HB CYS 18 6.461 -4.007 0.170
109 H GLY 19 H GLY 19 3.793 -6.577 -0.909
110 HA2 GLY 19 1HA GLY 19 3.228 -9.009 -1.269
111 HA3 GLY 19 2HA GLY 19 4.293 -9.309 0.096
112 H LYS 20 H LYS 20 2.199 -6.528 0.017
113 HA LYS 20 HA LYS 20 0.871 -7.449 2.415
114 HB2 LYS 20 1HB LYS 20 1.065 -4.885 0.920
115 HB3 LYS 20 2HB LYS 20 -0.366 -5.131 1.912
116 HG2 LYS 20 1HG LYS 20 0.813 -5.094 3.872
117 HG3 LYS 20 2HG LYS 20 2.305 -5.651 3.112
118 HD2 LYS 20 1HD LYS 20 2.265 -3.377 1.890
119 HD3 LYS 20 2HD LYS 20 1.111 -2.900 3.138
120 HE2 LYS 20 1HE LYS 20 3.749 -4.138 3.846
121 HE3 LYS 20 2HE LYS 20 3.610 -2.411 3.520
122 HZ1 LYS 20 3HZ LYS 20 2.928 -3.837 5.867
123 HZ2 LYS 20 1HZ LYS 20 1.565 -3.033 5.269
124 HZ3 LYS 20 2HZ LYS 20 2.975 -2.165 5.613
125 H GLU 21 H GLU 21 -1.518 -7.237 2.619
126 HA GLU 21 HA GLU 21 -2.971 -7.733 0.127
127 HB2 GLU 21 1HB GLU 21 -2.597 -9.649 2.368
128 HB3 GLU 21 2HB GLU 21 -4.201 -9.558 1.654
129 HG2 GLU 21 1HG GLU 21 -3.040 -9.873 -0.589
130 HG3 GLU 21 2HG GLU 21 -1.618 -10.332 0.346
131 H PHE 22 H PHE 22 -4.786 -6.590 0.054
132 HA PHE 22 HA PHE 22 -6.086 -5.832 2.582
133 HB2 PHE 22 1HB PHE 22 -5.848 -3.993 0.199
134 HB3 PHE 22 2HB PHE 22 -6.461 -3.598 1.801
135 HD1 PHE 22 HD1 PHE 22 -3.413 -4.510 -0.081
136 HD2 PHE 22 HD2 PHE 22 -5.018 -2.885 3.510
137 HE1 PHE 22 HE1 PHE 22 -1.160 -3.787 0.594
138 HE2 PHE 22 HE2 PHE 22 -2.768 -2.158 4.191
139 HZ PHE 22 HZ PHE 22 -0.836 -2.608 2.732
140 H SER 23 H SER 23 -8.357 -5.380 2.422
141 HA SER 23 HA SER 23 -9.651 -7.068 0.449
142 HB2 SER 23 1HB SER 23 -10.220 -7.033 2.943
143 HB3 SER 23 2HB SER 23 -11.020 -5.493 2.629
144 HG SER 23 HG SER 23 -12.046 -7.865 2.333
145 H GLN 24 H GLN 24 -9.574 -3.667 1.389
146 HA GLN 24 HA GLN 24 -11.373 -2.983 -0.812
147 HB2 GLN 24 1HB GLN 24 -10.361 -1.524 1.600
148 HB3 GLN 24 2HB GLN 24 -10.982 -0.613 0.230
149 HG2 GLN 24 1HG GLN 24 -12.555 -2.797 1.555
150 HG3 GLN 24 2HG GLN 24 -12.605 -1.122 2.101
151 HE21 GLN 24 1HE2 GLN 24 -13.346 0.487 0.598
152 HE22 GLN 24 2HE2 GLN 24 -14.473 0.054 -0.638
153 H SER 25 H SER 25 -10.770 -1.804 -2.574
154 HA SER 25 HA SER 25 -8.131 -1.963 -3.479
155 HB2 SER 25 1HB SER 25 -8.848 -0.552 -5.335
156 HB3 SER 25 2HB SER 25 -10.104 -1.732 -4.963
157 HG SER 25 HG SER 25 -10.851 0.472 -5.275
158 H SER 26 H SER 26 -9.911 0.747 -2.051
159 HA SER 26 HA SER 26 -8.024 2.753 -2.368
160 HB2 SER 26 1HB SER 26 -10.135 2.248 -0.289
161 HB3 SER 26 2HB SER 26 -9.053 3.633 -0.145
162 HG SER 26 HG SER 26 -11.218 3.361 -1.686
163 H HIS 27 H HIS 27 -8.297 0.322 0.189
164 HA HIS 27 HA HIS 27 -6.373 1.207 1.950
165 HB2 HIS 27 1HB HIS 27 -7.105 -1.609 1.141
166 HB3 HIS 27 2HB HIS 27 -6.016 -1.246 2.476
167 HD1 HIS 27 HD1 HIS 27 -8.629 -2.742 3.006
168 HD2 HIS 27 HD2 HIS 27 -8.237 1.387 3.259
169 HE1 HIS 27 HE1 HIS 27 -10.483 -1.982 4.526
170 H LEU 28 H LEU 28 -5.888 -0.885 -0.887
171 HA LEU 28 HA LEU 28 -3.077 -1.068 -0.591
172 HB2 LEU 28 1HB LEU 28 -4.309 -2.708 -1.863
173 HB3 LEU 28 2HB LEU 28 -4.848 -1.471 -2.996
174 HG LEU 28 HG LEU 28 -2.434 -1.167 -3.645
175 HD11 LEU 28 1HD1 LEU 28 -1.109 -2.042 -1.998
176 HD12 LEU 28 2HD1 LEU 28 -1.134 -3.390 -3.134
177 HD13 LEU 28 3HD1 LEU 28 -2.176 -3.416 -1.712
178 HD21 LEU 28 3HD2 LEU 28 -3.434 -2.320 -5.303
179 HD22 LEU 28 1HD2 LEU 28 -4.160 -3.488 -4.198
180 HD23 LEU 28 2HD2 LEU 28 -2.472 -3.660 -4.677
181 H GLN 29 H GLN 29 -5.188 1.116 -2.375
182 HA GLN 29 HA GLN 29 -3.224 2.414 -3.902
183 HB2 GLN 29 1HB GLN 29 -5.850 3.465 -2.836
184 HB3 GLN 29 2HB GLN 29 -4.873 4.270 -4.057
185 HG2 GLN 29 1HG GLN 29 -6.016 1.505 -4.365
186 HG3 GLN 29 2HG GLN 29 -6.790 2.974 -4.957
187 HE21 GLN 29 1HE2 GLN 29 -6.493 3.285 -7.032
188 HE22 GLN 29 2HE2 GLN 29 -5.087 2.864 -7.942
189 H THR 30 H THR 30 -4.570 3.193 -0.710
190 HA THR 30 HA THR 30 -3.073 5.547 -0.302
191 HB THR 30 HB THR 30 -4.266 3.649 1.728
192 HG1 THR 30 HG1 THR 30 -6.033 4.922 1.589
193 HG21 THR 30 3HG2 THR 30 -2.604 4.934 2.857
194 HG22 THR 30 1HG2 THR 30 -4.163 5.666 3.231
195 HG23 THR 30 2HG2 THR 30 -3.101 6.413 2.037
196 H HIS 31 H HIS 31 -2.432 2.159 0.455
197 HA HIS 31 HA HIS 31 -0.076 2.623 1.965
198 HB2 HIS 31 1HB HIS 31 -0.907 0.518 2.378
199 HB3 HIS 31 2HB HIS 31 -1.368 0.253 0.699
200 HD1 HIS 31 HD1 HIS 31 1.811 0.448 2.777
201 HD2 HIS 31 HD2 HIS 31 0.327 -1.373 -0.650
202 HE1 HIS 31 HE1 HIS 31 3.628 -1.107 2.002
203 H GLN 32 H GLN 32 -0.561 1.551 -1.398
204 HA GLN 32 HA GLN 32 1.934 1.215 -2.322
205 HB2 GLN 32 1HB GLN 32 -0.459 2.506 -3.552
206 HB3 GLN 32 2HB GLN 32 1.066 2.566 -4.426
207 HG2 GLN 32 1HG GLN 32 -0.020 -0.021 -3.385
208 HG3 GLN 32 2HG GLN 32 -0.562 0.651 -4.923
209 HE21 GLN 32 1HE2 GLN 32 0.616 -1.766 -4.929
210 HE22 GLN 32 2HE2 GLN 32 2.197 -1.673 -5.619
211 H ARG 33 H ARG 33 0.575 4.234 -1.262
212 HA ARG 33 HA ARG 33 2.132 6.147 -2.409
213 HB2 ARG 33 1HB ARG 33 1.281 5.925 0.480
214 HB3 ARG 33 2HB ARG 33 1.987 7.376 -0.217
215 HG2 ARG 33 1HG ARG 33 0.126 7.509 -1.805
216 HG3 ARG 33 2HG ARG 33 -0.586 6.069 -1.076
217 HD2 ARG 33 1HD ARG 33 -1.723 7.826 -0.051
218 HD3 ARG 33 2HD ARG 33 -0.488 7.384 1.127
219 HE ARG 33 HE ARG 33 0.493 9.433 0.824
220 HH11 ARG 33 1HH1 ARG 33 -1.797 8.861 -1.735
221 HH12 ARG 33 2HH1 ARG 33 -1.699 10.473 -2.361
222 HH21 ARG 33 1HH2 ARG 33 0.632 11.559 0.009
223 HH22 ARG 33 2HH2 ARG 33 -0.316 12.007 -1.369
224 H VAL 34 H VAL 34 3.038 4.088 0.335
225 HA VAL 34 HA VAL 34 5.520 5.196 0.912
226 HB VAL 34 HB VAL 34 6.110 3.094 1.949
227 HG11 VAL 34 1HG1 VAL 34 4.060 2.722 3.335
228 HG12 VAL 34 2HG1 VAL 34 4.559 4.410 3.200
229 HG13 VAL 34 3HG1 VAL 34 3.199 3.812 2.248
230 HG21 VAL 34 3HG2 VAL 34 5.532 1.499 0.289
231 HG22 VAL 34 1HG2 VAL 34 4.544 1.134 1.704
232 HG23 VAL 34 2HG2 VAL 34 3.834 1.975 0.325
233 H HIS 35 H HIS 35 4.572 2.973 -1.626
234 HA HIS 35 HA HIS 35 7.319 2.510 -2.444
235 HB2 HIS 35 1HB HIS 35 4.753 1.650 -3.796
236 HB3 HIS 35 2HB HIS 35 6.372 1.051 -4.143
237 HD1 HIS 35 HD1 HIS 35 7.428 0.350 -1.421
238 HD2 HIS 35 HD2 HIS 35 3.509 -0.411 -2.570
239 HE1 HIS 35 HE1 HIS 35 6.634 -1.501 0.084
240 H THR 36 H THR 36 6.205 5.228 -2.508
241 HA THR 36 HA THR 36 7.206 6.014 -5.052
242 HB THR 36 HB THR 36 5.048 5.344 -5.890
243 HG1 THR 36 HG1 THR 36 4.695 7.192 -6.944
244 HG21 THR 36 3HG2 THR 36 3.679 5.295 -3.957
245 HG22 THR 36 1HG2 THR 36 2.984 6.528 -5.008
246 HG23 THR 36 2HG2 THR 36 3.965 7.002 -3.620
247 H GLY 37 H GLY 37 7.562 8.247 -5.201
248 HA2 GLY 37 1HA GLY 37 7.080 9.701 -2.675
249 HA3 GLY 37 2HA GLY 37 8.480 9.949 -3.708
250 H GLU 38 H GLU 38 8.409 11.524 -5.192
251 HA GLU 38 HA GLU 38 5.808 12.556 -6.051
252 HB2 GLU 38 1HB GLU 38 6.403 13.984 -4.195
253 HB3 GLU 38 2HB GLU 38 8.018 14.226 -4.846
254 HG2 GLU 38 1HG GLU 38 6.960 15.317 -6.832
255 HG3 GLU 38 2HG GLU 38 5.421 15.232 -5.977
256 H LYS 39 H LYS 39 5.743 12.986 -8.165
257 HA LYS 39 HA LYS 39 6.382 13.218 -10.335
258 HB2 LYS 39 1HB LYS 39 8.531 14.661 -8.849
259 HB3 LYS 39 2HB LYS 39 8.762 14.359 -10.566
260 HG2 LYS 39 1HG LYS 39 6.210 15.581 -9.629
261 HG3 LYS 39 2HG LYS 39 7.664 16.575 -9.748
262 HD2 LYS 39 1HD LYS 39 7.890 15.666 -12.120
263 HD3 LYS 39 2HD LYS 39 6.235 15.080 -11.932
264 HE2 LYS 39 1HE LYS 39 6.113 17.198 -13.006
265 HE3 LYS 39 2HE LYS 39 5.576 17.428 -11.342
266 HZ1 LYS 39 3HZ LYS 39 8.368 17.827 -11.529
267 HZ2 LYS 39 1HZ LYS 39 7.170 18.911 -11.027
268 HZ3 LYS 39 2HZ LYS 39 7.579 18.802 -12.664
269 HA PRO 40 HA PRO 40 9.213 9.479 -9.742
270 HB2 PRO 40 1HB PRO 40 7.382 7.583 -10.390
271 HB3 PRO 40 2HB PRO 40 7.629 8.154 -8.735
272 HG2 PRO 40 1HG PRO 40 5.525 8.938 -10.716
273 HG3 PRO 40 2HG PRO 40 5.360 8.599 -8.983
274 HD2 PRO 40 1HD PRO 40 5.463 11.118 -9.971
275 HD3 PRO 40 2HD PRO 40 6.110 10.691 -8.374
276 H SER 41 H SER 41 10.428 9.017 -11.460
277 HA SER 41 HA SER 41 9.156 8.759 -14.092
278 HB2 SER 41 1HB SER 41 10.874 10.109 -15.152
279 HB3 SER 41 2HB SER 41 10.100 11.056 -13.881
280 HG SER 41 HG SER 41 12.390 9.574 -13.251
281 H GLY 42 H GLY 42 10.899 7.945 -15.727
282 HA2 GLY 42 1HA GLY 42 13.028 6.355 -14.656
283 HA3 GLY 42 2HA GLY 42 11.630 5.380 -15.083
284 HA PRO 43 HA PRO 43 13.228 5.119 -19.166
285 HB2 PRO 43 1HB PRO 43 10.943 4.504 -20.496
286 HB3 PRO 43 2HB PRO 43 11.790 3.351 -19.459
287 HG2 PRO 43 1HG PRO 43 9.390 5.034 -18.854
288 HG3 PRO 43 2HG PRO 43 9.692 3.332 -18.456
289 HD2 PRO 43 1HD PRO 43 9.999 5.328 -16.651
290 HD3 PRO 43 2HD PRO 43 10.999 3.861 -16.632
291 H SER 44 H SER 44 13.723 7.418 -19.284
292 HA SER 44 HA SER 44 11.693 9.061 -20.616
293 HB2 SER 44 1HB SER 44 13.250 10.950 -20.141
294 HB3 SER 44 2HB SER 44 12.730 10.102 -18.685
295 HG SER 44 HG SER 44 15.067 9.220 -19.920
296 H SER 45 H SER 45 12.797 7.003 -22.142
297 HA SER 45 HA SER 45 13.951 6.533 -24.062
298 HB2 SER 45 1HB SER 45 12.112 8.220 -24.705
299 HB3 SER 45 2HB SER 45 13.418 9.399 -24.824
300 HG SER 45 HG SER 45 14.307 7.395 -26.158
301 H GLY 46 H GLY 46 15.692 7.201 -22.007
302 HA2 GLY 46 1HA GLY 46 17.783 8.697 -23.464
303 HA3 GLY 46 2HA GLY 46 17.584 8.800 -21.721
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -30.904 -20.979 -4.742
2 HA2 GLY 1 1HA GLY 1 -29.921 -22.553 -3.357
3 HA3 GLY 1 2HA GLY 1 -28.602 -22.691 -4.510
4 H SER 2 H SER 2 -26.691 -21.965 -3.867
5 HA SER 2 HA SER 2 -26.618 -19.907 -1.759
6 HB2 SER 2 1HB SER 2 -24.898 -22.375 -2.050
7 HB3 SER 2 2HB SER 2 -24.497 -21.039 -0.971
8 HG SER 2 HG SER 2 -25.705 -22.109 0.382
9 H SER 3 H SER 3 -26.087 -18.131 -2.905
10 HA SER 3 HA SER 3 -23.988 -18.283 -4.926
11 HB2 SER 3 1HB SER 3 -26.046 -16.229 -4.181
12 HB3 SER 3 2HB SER 3 -24.637 -15.758 -5.131
13 HG SER 3 HG SER 3 -26.429 -17.852 -5.810
14 H GLY 4 H GLY 4 -22.478 -16.281 -4.945
15 HA2 GLY 4 1HA GLY 4 -20.549 -15.487 -3.944
16 HA3 GLY 4 2HA GLY 4 -21.712 -14.766 -2.841
17 H SER 5 H SER 5 -20.336 -18.011 -3.403
18 HA SER 5 HA SER 5 -19.717 -18.128 -0.526
19 HB2 SER 5 1HB SER 5 -20.245 -20.577 -0.626
20 HB3 SER 5 2HB SER 5 -21.647 -19.535 -0.870
21 HG SER 5 HG SER 5 -21.267 -21.392 -2.382
22 H SER 6 H SER 6 -17.885 -17.269 -2.402
23 HA SER 6 HA SER 6 -16.220 -19.489 -3.210
24 HB2 SER 6 1HB SER 6 -15.846 -16.493 -3.382
25 HB3 SER 6 2HB SER 6 -14.667 -17.660 -3.981
26 HG SER 6 HG SER 6 -16.140 -16.917 -5.603
27 H GLY 7 H GLY 7 -15.837 -16.702 -1.015
28 HA2 GLY 7 1HA GLY 7 -14.504 -18.282 0.956
29 HA3 GLY 7 2HA GLY 7 -13.366 -17.297 0.048
30 H MET 8 H MET 8 -12.835 -16.130 1.937
31 HA MET 8 HA MET 8 -14.702 -14.807 3.568
32 HB2 MET 8 1HB MET 8 -11.807 -14.158 2.990
33 HB3 MET 8 2HB MET 8 -12.757 -13.400 4.261
34 HG2 MET 8 1HG MET 8 -12.841 -15.329 5.532
35 HG3 MET 8 2HG MET 8 -12.490 -16.371 4.155
36 HE1 MET 8 3HE MET 8 -9.974 -13.984 6.891
37 HE2 MET 8 1HE MET 8 -11.614 -14.622 7.022
38 HE3 MET 8 2HE MET 8 -10.235 -15.645 7.425
39 H GLY 9 H GLY 9 -12.707 -13.547 0.890
40 HA2 GLY 9 1HA GLY 9 -14.809 -11.557 0.381
41 HA3 GLY 9 2HA GLY 9 -13.158 -11.004 0.612
42 H GLU 10 H GLU 10 -15.022 -10.900 -1.730
43 HA GLU 10 HA GLU 10 -13.999 -12.665 -3.717
44 HB2 GLU 10 1HB GLU 10 -16.204 -11.712 -3.980
45 HB3 GLU 10 2HB GLU 10 -15.549 -10.082 -3.940
46 HG2 GLU 10 1HG GLU 10 -14.309 -10.592 -6.030
47 HG3 GLU 10 2HG GLU 10 -15.141 -12.144 -6.090
48 H LYS 11 H LYS 11 -13.005 -9.603 -2.447
49 HA LYS 11 HA LYS 11 -11.051 -9.275 -4.618
50 HB2 LYS 11 1HB LYS 11 -12.377 -7.401 -2.722
51 HB3 LYS 11 2HB LYS 11 -10.742 -7.012 -3.242
52 HG2 LYS 11 1HG LYS 11 -12.011 -5.895 -4.796
53 HG3 LYS 11 2HG LYS 11 -11.690 -7.418 -5.628
54 HD2 LYS 11 1HD LYS 11 -13.956 -7.193 -5.966
55 HD3 LYS 11 2HD LYS 11 -13.927 -8.165 -4.492
56 HE2 LYS 11 1HE LYS 11 -14.122 -5.159 -4.499
57 HE3 LYS 11 2HE LYS 11 -15.529 -6.222 -4.484
58 HZ1 LYS 11 3HZ LYS 11 -13.494 -5.823 -2.390
59 HZ2 LYS 11 1HZ LYS 11 -14.392 -7.256 -2.444
60 HZ3 LYS 11 2HZ LYS 11 -15.180 -5.771 -2.260
61 H CYS 12 H CYS 12 -8.934 -9.566 -4.270
62 HA CYS 12 HA CYS 12 -7.999 -9.798 -1.489
63 HB2 CYS 12 1HB CYS 12 -6.514 -11.635 -2.185
64 HB3 CYS 12 2HB CYS 12 -8.208 -12.041 -2.435
65 HG CYS 12 HG CYS 12 -6.772 -10.690 -5.129
66 H TYR 13 H TYR 13 -7.840 -7.450 -2.964
67 HA TYR 13 HA TYR 13 -5.758 -6.848 -4.547
68 HB2 TYR 13 1HB TYR 13 -6.898 -5.384 -2.195
69 HB3 TYR 13 2HB TYR 13 -5.502 -4.720 -3.036
70 HD1 TYR 13 HD2 TYR 13 -5.708 -4.264 -5.527
71 HD2 TYR 13 HD1 TYR 13 -9.067 -5.108 -3.057
72 HE1 TYR 13 HE2 TYR 13 -7.193 -3.275 -7.219
73 HE2 TYR 13 HE1 TYR 13 -10.562 -4.122 -4.743
74 HH TYR 13 HH TYR 13 -9.659 -2.138 -7.066
75 H LYS 14 H LYS 14 -3.696 -7.413 -4.546
76 HA LYS 14 HA LYS 14 -2.272 -7.556 -1.970
77 HB2 LYS 14 1HB LYS 14 -2.687 -9.779 -3.088
78 HB3 LYS 14 2HB LYS 14 -1.662 -9.231 -4.408
79 HG2 LYS 14 1HG LYS 14 0.160 -8.894 -2.708
80 HG3 LYS 14 2HG LYS 14 -0.878 -9.727 -1.549
81 HD2 LYS 14 1HD LYS 14 -0.727 -11.750 -2.676
82 HD3 LYS 14 2HD LYS 14 -0.265 -10.981 -4.197
83 HE2 LYS 14 1HE LYS 14 1.929 -10.573 -3.439
84 HE3 LYS 14 2HE LYS 14 1.496 -10.906 -1.763
85 HZ1 LYS 14 3HZ LYS 14 1.991 -13.030 -2.059
86 HZ2 LYS 14 1HZ LYS 14 2.526 -12.681 -3.626
87 HZ3 LYS 14 2HZ LYS 14 0.924 -13.158 -3.366
88 H CYS 15 H CYS 15 -0.236 -6.677 -1.857
89 HA CYS 15 HA CYS 15 0.433 -4.795 -3.964
90 HB2 CYS 15 1HB CYS 15 0.494 -4.063 -1.617
91 HB3 CYS 15 2HB CYS 15 1.728 -5.270 -1.271
92 H ASP 16 H ASP 16 1.719 -5.349 -5.582
93 HA ASP 16 HA ASP 16 3.479 -7.650 -5.335
94 HB2 ASP 16 1HB ASP 16 1.944 -6.972 -7.370
95 HB3 ASP 16 2HB ASP 16 3.328 -5.975 -7.809
96 H VAL 17 H VAL 17 4.212 -5.437 -3.749
97 HA VAL 17 HA VAL 17 6.751 -4.678 -5.038
98 HB VAL 17 HB VAL 17 5.148 -2.946 -3.151
99 HG11 VAL 17 1HG1 VAL 17 7.753 -2.491 -4.596
100 HG12 VAL 17 2HG1 VAL 17 6.827 -1.216 -3.801
101 HG13 VAL 17 3HG1 VAL 17 7.489 -2.549 -2.854
102 HG21 VAL 17 3HG2 VAL 17 4.536 -3.365 -5.742
103 HG22 VAL 17 1HG2 VAL 17 4.263 -1.836 -4.906
104 HG23 VAL 17 2HG2 VAL 17 5.701 -2.050 -5.905
105 H CYS 18 H CYS 18 5.071 -5.053 -1.925
106 HA CYS 18 HA CYS 18 7.640 -5.887 -0.745
107 HB2 CYS 18 1HB CYS 18 6.808 -5.049 1.414
108 HB3 CYS 18 2HB CYS 18 6.881 -3.768 0.209
109 H GLY 19 H GLY 19 4.150 -6.408 -0.841
110 HA2 GLY 19 1HA GLY 19 3.465 -8.780 -0.966
111 HA3 GLY 19 2HA GLY 19 4.616 -9.084 0.326
112 H LYS 20 H LYS 20 1.864 -6.903 -0.306
113 HA LYS 20 HA LYS 20 0.867 -7.569 2.387
114 HB2 LYS 20 1HB LYS 20 1.792 -5.162 1.876
115 HB3 LYS 20 2HB LYS 20 0.233 -4.945 1.092
116 HG2 LYS 20 1HG LYS 20 -0.920 -4.995 3.053
117 HG3 LYS 20 2HG LYS 20 0.255 -6.047 3.846
118 HD2 LYS 20 1HD LYS 20 1.830 -3.978 3.631
119 HD3 LYS 20 2HD LYS 20 0.318 -3.083 3.453
120 HE2 LYS 20 1HE LYS 20 -0.452 -4.188 5.581
121 HE3 LYS 20 2HE LYS 20 1.193 -4.791 5.775
122 HZ1 LYS 20 3HZ LYS 20 0.602 -2.641 6.950
123 HZ2 LYS 20 1HZ LYS 20 0.624 -1.911 5.423
124 HZ3 LYS 20 2HZ LYS 20 2.024 -2.638 6.033
125 H GLU 21 H GLU 21 -1.514 -7.194 2.622
126 HA GLU 21 HA GLU 21 -3.014 -7.485 0.131
127 HB2 GLU 21 1HB GLU 21 -2.717 -9.554 2.243
128 HB3 GLU 21 2HB GLU 21 -4.321 -9.336 1.558
129 HG2 GLU 21 1HG GLU 21 -3.196 -9.566 -0.717
130 HG3 GLU 21 2HG GLU 21 -1.797 -10.165 0.172
131 H PHE 22 H PHE 22 -4.877 -6.389 0.158
132 HA PHE 22 HA PHE 22 -5.928 -5.514 2.768
133 HB2 PHE 22 1HB PHE 22 -5.966 -3.926 0.193
134 HB3 PHE 22 2HB PHE 22 -6.565 -3.392 1.760
135 HD1 PHE 22 HD1 PHE 22 -3.528 -4.263 -0.142
136 HD2 PHE 22 HD2 PHE 22 -5.112 -2.479 3.383
137 HE1 PHE 22 HE1 PHE 22 -1.309 -3.341 0.384
138 HE2 PHE 22 HE2 PHE 22 -2.896 -1.554 3.914
139 HZ PHE 22 HZ PHE 22 -0.990 -1.983 2.414
140 H SER 23 H SER 23 -8.251 -4.910 2.709
141 HA SER 23 HA SER 23 -9.731 -6.955 1.282
142 HB2 SER 23 1HB SER 23 -10.237 -6.604 3.640
143 HB3 SER 23 2HB SER 23 -10.620 -4.911 3.332
144 HG SER 23 HG SER 23 -12.271 -6.930 3.253
145 H GLN 24 H GLN 24 -9.610 -3.423 1.457
146 HA GLN 24 HA GLN 24 -11.448 -3.273 -0.827
147 HB2 GLN 24 1HB GLN 24 -10.591 -1.242 1.227
148 HB3 GLN 24 2HB GLN 24 -11.457 -0.790 -0.235
149 HG2 GLN 24 1HG GLN 24 -13.259 -2.389 0.451
150 HG3 GLN 24 2HG GLN 24 -12.420 -2.562 1.992
151 HE21 GLN 24 1HE2 GLN 24 -15.081 -1.517 1.419
152 HE22 GLN 24 2HE2 GLN 24 -15.111 0.090 2.053
153 H SER 25 H SER 25 -10.956 -1.777 -2.563
154 HA SER 25 HA SER 25 -8.365 -2.132 -3.596
155 HB2 SER 25 1HB SER 25 -10.332 -1.789 -5.030
156 HB3 SER 25 2HB SER 25 -10.485 -0.137 -4.433
157 HG SER 25 HG SER 25 -8.435 0.300 -5.342
158 H SER 26 H SER 26 -9.954 0.803 -2.348
159 HA SER 26 HA SER 26 -7.853 2.576 -2.630
160 HB2 SER 26 1HB SER 26 -9.757 2.568 -0.282
161 HB3 SER 26 2HB SER 26 -8.944 3.958 -1.001
162 HG SER 26 HG SER 26 -11.202 3.620 -1.624
163 H HIS 27 H HIS 27 -8.527 0.347 0.036
164 HA HIS 27 HA HIS 27 -6.652 1.120 1.881
165 HB2 HIS 27 1HB HIS 27 -7.703 -1.587 1.111
166 HB3 HIS 27 2HB HIS 27 -6.483 -1.427 2.371
167 HD1 HIS 27 HD1 HIS 27 -8.921 -2.569 3.435
168 HD2 HIS 27 HD2 HIS 27 -8.548 1.543 2.972
169 HE1 HIS 27 HE1 HIS 27 -10.614 -1.560 4.997
170 H LEU 28 H LEU 28 -6.145 -0.578 -1.135
171 HA LEU 28 HA LEU 28 -3.374 -1.162 -0.556
172 HB2 LEU 28 1HB LEU 28 -4.499 -2.753 -1.897
173 HB3 LEU 28 2HB LEU 28 -5.108 -1.508 -2.986
174 HG LEU 28 HG LEU 28 -2.754 -1.127 -3.739
175 HD11 LEU 28 1HD1 LEU 28 -1.304 -3.249 -3.263
176 HD12 LEU 28 2HD1 LEU 28 -2.300 -3.356 -1.812
177 HD13 LEU 28 3HD1 LEU 28 -1.334 -1.911 -2.114
178 HD21 LEU 28 3HD2 LEU 28 -4.396 -3.516 -4.211
179 HD22 LEU 28 1HD2 LEU 28 -2.713 -3.652 -4.722
180 HD23 LEU 28 2HD2 LEU 28 -3.723 -2.352 -5.354
181 H GLN 29 H GLN 29 -5.028 0.775 -3.058
182 HA GLN 29 HA GLN 29 -2.926 2.033 -4.219
183 HB2 GLN 29 1HB GLN 29 -4.419 3.558 -5.056
184 HB3 GLN 29 2HB GLN 29 -5.538 2.322 -4.495
185 HG2 GLN 29 1HG GLN 29 -6.006 3.568 -2.502
186 HG3 GLN 29 2HG GLN 29 -4.760 4.750 -2.899
187 HE21 GLN 29 1HE2 GLN 29 -5.208 6.371 -4.306
188 HE22 GLN 29 2HE2 GLN 29 -6.767 6.642 -4.998
189 H THR 30 H THR 30 -4.449 2.934 -1.154
190 HA THR 30 HA THR 30 -2.918 5.262 -0.699
191 HB THR 30 HB THR 30 -4.275 3.443 1.301
192 HG1 THR 30 HG1 THR 30 -5.227 5.964 0.471
193 HG21 THR 30 3HG2 THR 30 -3.616 4.795 2.958
194 HG22 THR 30 1HG2 THR 30 -3.980 6.245 2.024
195 HG23 THR 30 2HG2 THR 30 -2.426 5.435 1.825
196 H HIS 31 H HIS 31 -2.484 1.893 0.316
197 HA HIS 31 HA HIS 31 -0.202 2.318 1.913
198 HB2 HIS 31 1HB HIS 31 -1.122 0.250 2.320
199 HB3 HIS 31 2HB HIS 31 -1.483 -0.043 0.622
200 HD1 HIS 31 HD1 HIS 31 1.504 0.018 2.961
201 HD2 HIS 31 HD2 HIS 31 0.298 -1.668 -0.640
202 HE1 HIS 31 HE1 HIS 31 3.330 -1.591 2.327
203 H GLN 32 H GLN 32 -0.589 1.558 -1.516
204 HA GLN 32 HA GLN 32 1.995 0.998 -2.248
205 HB2 GLN 32 1HB GLN 32 -0.180 2.491 -3.697
206 HB3 GLN 32 2HB GLN 32 1.373 2.160 -4.452
207 HG2 GLN 32 1HG GLN 32 0.917 -0.291 -3.827
208 HG3 GLN 32 2HG GLN 32 -0.750 0.235 -3.597
209 HE21 GLN 32 1HE2 GLN 32 0.150 -1.652 -5.510
210 HE22 GLN 32 2HE2 GLN 32 -0.182 -1.009 -7.079
211 H ARG 33 H ARG 33 0.770 3.937 -1.016
212 HA ARG 33 HA ARG 33 2.413 5.851 -2.172
213 HB2 ARG 33 1HB ARG 33 1.314 5.662 0.634
214 HB3 ARG 33 2HB ARG 33 2.139 7.085 0.012
215 HG2 ARG 33 1HG ARG 33 0.439 7.413 -1.651
216 HG3 ARG 33 2HG ARG 33 -0.342 5.894 -1.207
217 HD2 ARG 33 1HD ARG 33 -1.576 7.679 -0.206
218 HD3 ARG 33 2HD ARG 33 -0.707 6.832 1.074
219 HE ARG 33 HE ARG 33 0.706 9.104 0.027
220 HH11 ARG 33 1HH1 ARG 33 -1.676 8.025 2.324
221 HH12 ARG 33 2HH1 ARG 33 -1.448 9.372 3.390
222 HH21 ARG 33 1HH2 ARG 33 1.016 10.882 1.422
223 HH22 ARG 33 2HH2 ARG 33 0.083 10.997 2.876
224 H VAL 34 H VAL 34 3.125 3.461 0.273
225 HA VAL 34 HA VAL 34 5.542 4.570 1.227
226 HB VAL 34 HB VAL 34 6.003 2.428 2.199
227 HG11 VAL 34 1HG1 VAL 34 4.119 2.172 3.563
228 HG12 VAL 34 2HG1 VAL 34 4.034 3.848 3.016
229 HG13 VAL 34 3HG1 VAL 34 3.009 2.622 2.269
230 HG21 VAL 34 3HG2 VAL 34 5.020 0.396 1.572
231 HG22 VAL 34 1HG2 VAL 34 3.737 1.195 0.665
232 HG23 VAL 34 2HG2 VAL 34 5.387 1.192 0.042
233 H HIS 35 H HIS 35 4.769 3.340 -1.784
234 HA HIS 35 HA HIS 35 7.596 2.741 -2.363
235 HB2 HIS 35 1HB HIS 35 5.238 1.714 -3.943
236 HB3 HIS 35 2HB HIS 35 6.916 1.189 -4.045
237 HD1 HIS 35 HD1 HIS 35 7.722 0.342 -1.393
238 HD2 HIS 35 HD2 HIS 35 3.803 -0.174 -2.674
239 HE1 HIS 35 HE1 HIS 35 6.772 -1.476 0.062
240 H THR 36 H THR 36 4.827 4.631 -3.136
241 HA THR 36 HA THR 36 5.523 5.468 -5.737
242 HB THR 36 HB THR 36 3.984 7.333 -5.391
243 HG1 THR 36 HG1 THR 36 4.179 8.057 -3.369
244 HG21 THR 36 3HG2 THR 36 2.138 5.705 -4.167
245 HG22 THR 36 1HG2 THR 36 3.311 4.552 -4.802
246 HG23 THR 36 2HG2 THR 36 2.527 5.701 -5.887
247 H GLY 37 H GLY 37 6.822 7.063 -6.491
248 HA2 GLY 37 1HA GLY 37 7.852 9.267 -6.072
249 HA3 GLY 37 2HA GLY 37 8.271 8.666 -4.474
250 H GLU 38 H GLU 38 9.151 6.081 -5.265
251 HA GLU 38 HA GLU 38 11.832 6.448 -5.649
252 HB2 GLU 38 1HB GLU 38 10.058 4.133 -6.395
253 HB3 GLU 38 2HB GLU 38 11.801 4.072 -6.612
254 HG2 GLU 38 1HG GLU 38 10.350 4.495 -4.010
255 HG3 GLU 38 2HG GLU 38 11.146 3.012 -4.534
256 H LYS 39 H LYS 39 13.203 5.837 -7.523
257 HA LYS 39 HA LYS 39 13.951 6.654 -9.552
258 HB2 LYS 39 1HB LYS 39 12.924 5.427 -11.415
259 HB3 LYS 39 2HB LYS 39 13.203 4.380 -10.030
260 HG2 LYS 39 1HG LYS 39 10.810 4.685 -9.407
261 HG3 LYS 39 2HG LYS 39 10.583 5.557 -10.924
262 HD2 LYS 39 1HD LYS 39 9.932 3.384 -11.450
263 HD3 LYS 39 2HD LYS 39 11.598 3.459 -12.027
264 HE2 LYS 39 1HE LYS 39 12.350 2.389 -9.950
265 HE3 LYS 39 2HE LYS 39 10.679 2.299 -9.397
266 HZ1 LYS 39 3HZ LYS 39 12.069 0.680 -11.368
267 HZ2 LYS 39 1HZ LYS 39 10.476 1.098 -11.756
268 HZ3 LYS 39 2HZ LYS 39 10.806 0.267 -10.320
269 HA PRO 40 HA PRO 40 10.472 9.842 -9.918
270 HB2 PRO 40 1HB PRO 40 11.819 11.930 -8.825
271 HB3 PRO 40 2HB PRO 40 10.829 10.820 -7.870
272 HG2 PRO 40 1HG PRO 40 13.797 10.855 -8.258
273 HG3 PRO 40 2HG PRO 40 12.866 10.593 -6.771
274 HD2 PRO 40 1HD PRO 40 13.956 8.557 -8.184
275 HD3 PRO 40 2HD PRO 40 12.440 8.385 -7.277
276 H SER 41 H SER 41 10.562 11.826 -11.207
277 HA SER 41 HA SER 41 12.817 11.761 -13.097
278 HB2 SER 41 1HB SER 41 11.306 12.655 -14.767
279 HB3 SER 41 2HB SER 41 10.553 11.246 -14.020
280 HG SER 41 HG SER 41 9.941 13.974 -13.688
281 H GLY 42 H GLY 42 14.178 13.419 -13.097
282 HA2 GLY 42 1HA GLY 42 15.057 15.514 -12.770
283 HA3 GLY 42 2HA GLY 42 13.422 16.124 -12.974
284 HA PRO 43 HA PRO 43 14.297 15.303 -8.250
285 HB2 PRO 43 1HB PRO 43 16.921 15.515 -7.587
286 HB3 PRO 43 2HB PRO 43 16.157 13.976 -8.003
287 HG2 PRO 43 1HG PRO 43 17.832 15.780 -9.706
288 HG3 PRO 43 2HG PRO 43 17.874 14.013 -9.570
289 HD2 PRO 43 1HD PRO 43 16.638 15.289 -11.614
290 HD3 PRO 43 2HD PRO 43 16.063 13.737 -10.971
291 H SER 44 H SER 44 15.163 17.633 -10.426
292 HA SER 44 HA SER 44 16.428 19.697 -9.312
293 HB2 SER 44 1HB SER 44 14.933 19.580 -11.466
294 HB3 SER 44 2HB SER 44 13.708 20.301 -10.421
295 HG SER 44 HG SER 44 15.402 21.646 -11.704
296 H SER 45 H SER 45 16.453 20.017 -7.149
297 HA SER 45 HA SER 45 13.888 20.455 -5.781
298 HB2 SER 45 1HB SER 45 15.249 20.189 -3.683
299 HB3 SER 45 2HB SER 45 15.208 18.753 -4.705
300 HG SER 45 HG SER 45 17.280 20.621 -5.023
301 H GLY 46 H GLY 46 13.615 22.592 -6.578
302 HA2 GLY 46 1HA GLY 46 13.715 24.775 -5.403
303 HA3 GLY 46 2HA GLY 46 15.457 24.546 -5.341
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -12.700 -24.916 -23.630
2 HA2 GLY 1 1HA GLY 1 -10.303 -25.722 -24.878
3 HA3 GLY 1 2HA GLY 1 -10.699 -24.092 -25.403
4 H SER 2 H SER 2 -10.720 -22.397 -23.876
5 HA SER 2 HA SER 2 -8.960 -22.909 -21.604
6 HB2 SER 2 1HB SER 2 -8.574 -21.024 -23.285
7 HB3 SER 2 2HB SER 2 -9.952 -20.215 -22.538
8 HG SER 2 HG SER 2 -8.048 -21.155 -20.776
9 H SER 3 H SER 3 -12.056 -21.286 -22.273
10 HA SER 3 HA SER 3 -12.693 -20.703 -19.599
11 HB2 SER 3 1HB SER 3 -14.570 -21.180 -21.928
12 HB3 SER 3 2HB SER 3 -14.995 -20.386 -20.411
13 HG SER 3 HG SER 3 -13.446 -18.775 -20.923
14 H GLY 4 H GLY 4 -14.074 -21.727 -18.122
15 HA2 GLY 4 1HA GLY 4 -14.941 -24.454 -18.719
16 HA3 GLY 4 2HA GLY 4 -13.780 -24.255 -17.416
17 H SER 5 H SER 5 -14.522 -23.832 -15.430
18 HA SER 5 HA SER 5 -17.366 -23.738 -15.013
19 HB2 SER 5 1HB SER 5 -14.979 -23.808 -13.177
20 HB3 SER 5 2HB SER 5 -16.609 -23.555 -12.552
21 HG SER 5 HG SER 5 -15.449 -25.831 -13.637
22 H SER 6 H SER 6 -18.087 -22.154 -13.152
23 HA SER 6 HA SER 6 -17.009 -19.471 -13.666
24 HB2 SER 6 1HB SER 6 -19.916 -20.289 -13.823
25 HB3 SER 6 2HB SER 6 -19.378 -18.613 -13.722
26 HG SER 6 HG SER 6 -19.138 -18.724 -15.797
27 H GLY 7 H GLY 7 -17.983 -17.848 -12.076
28 HA2 GLY 7 1HA GLY 7 -18.808 -17.347 -9.919
29 HA3 GLY 7 2HA GLY 7 -18.713 -19.054 -9.512
30 H MET 8 H MET 8 -17.795 -17.660 -7.577
31 HA MET 8 HA MET 8 -16.010 -17.154 -6.260
32 HB2 MET 8 1HB MET 8 -14.648 -19.084 -8.144
33 HB3 MET 8 2HB MET 8 -13.954 -18.508 -6.634
34 HG2 MET 8 1HG MET 8 -15.359 -19.760 -5.345
35 HG3 MET 8 2HG MET 8 -16.638 -19.774 -6.557
36 HE1 MET 8 3HE MET 8 -16.653 -22.467 -8.394
37 HE2 MET 8 1HE MET 8 -16.477 -20.736 -8.680
38 HE3 MET 8 2HE MET 8 -15.257 -21.857 -9.284
39 H GLY 9 H GLY 9 -16.523 -15.218 -8.124
40 HA2 GLY 9 1HA GLY 9 -13.937 -14.492 -9.303
41 HA3 GLY 9 2HA GLY 9 -15.482 -13.736 -9.661
42 H GLU 10 H GLU 10 -13.612 -14.328 -6.681
43 HA GLU 10 HA GLU 10 -14.283 -11.654 -5.756
44 HB2 GLU 10 1HB GLU 10 -14.423 -13.599 -4.222
45 HB3 GLU 10 2HB GLU 10 -12.687 -13.824 -4.384
46 HG2 GLU 10 1HG GLU 10 -12.431 -11.470 -3.504
47 HG3 GLU 10 2HG GLU 10 -14.145 -11.539 -3.097
48 H LYS 11 H LYS 11 -12.677 -10.162 -4.999
49 HA LYS 11 HA LYS 11 -10.142 -10.391 -6.481
50 HB2 LYS 11 1HB LYS 11 -10.077 -7.918 -6.416
51 HB3 LYS 11 2HB LYS 11 -11.489 -8.536 -7.262
52 HG2 LYS 11 1HG LYS 11 -12.805 -8.186 -5.174
53 HG3 LYS 11 2HG LYS 11 -11.387 -7.395 -4.480
54 HD2 LYS 11 1HD LYS 11 -11.455 -5.879 -6.543
55 HD3 LYS 11 2HD LYS 11 -13.081 -6.515 -6.801
56 HE2 LYS 11 1HE LYS 11 -13.611 -5.811 -4.445
57 HE3 LYS 11 2HE LYS 11 -12.056 -4.983 -4.419
58 HZ1 LYS 11 3HZ LYS 11 -13.905 -3.505 -4.998
59 HZ2 LYS 11 1HZ LYS 11 -14.231 -4.444 -6.368
60 HZ3 LYS 11 2HZ LYS 11 -12.766 -3.607 -6.245
61 H CYS 12 H CYS 12 -8.216 -10.040 -5.452
62 HA CYS 12 HA CYS 12 -8.316 -9.440 -2.575
63 HB2 CYS 12 1HB CYS 12 -6.830 -11.669 -3.957
64 HB3 CYS 12 2HB CYS 12 -6.375 -11.091 -2.359
65 HG CYS 12 HG CYS 12 -8.392 -12.110 -1.001
66 H TYR 13 H TYR 13 -7.766 -7.278 -3.315
67 HA TYR 13 HA TYR 13 -5.561 -6.558 -4.812
68 HB2 TYR 13 1HB TYR 13 -7.019 -5.216 -2.560
69 HB3 TYR 13 2HB TYR 13 -5.577 -4.472 -3.242
70 HD1 TYR 13 HD2 TYR 13 -5.558 -4.056 -5.779
71 HD2 TYR 13 HD1 TYR 13 -9.098 -4.910 -3.578
72 HE1 TYR 13 HE2 TYR 13 -6.910 -3.085 -7.589
73 HE2 TYR 13 HE1 TYR 13 -10.460 -3.942 -5.383
74 HH TYR 13 HH TYR 13 -9.100 -2.120 -7.938
75 H LYS 14 H LYS 14 -3.623 -7.494 -4.526
76 HA LYS 14 HA LYS 14 -2.372 -7.222 -1.875
77 HB2 LYS 14 1HB LYS 14 -2.946 -9.573 -2.266
78 HB3 LYS 14 2HB LYS 14 -2.070 -9.543 -3.791
79 HG2 LYS 14 1HG LYS 14 -0.027 -8.904 -2.388
80 HG3 LYS 14 2HG LYS 14 -0.983 -9.430 -1.001
81 HD2 LYS 14 1HD LYS 14 -1.174 -11.641 -1.875
82 HD3 LYS 14 2HD LYS 14 -0.491 -11.149 -3.427
83 HE2 LYS 14 1HE LYS 14 1.155 -12.348 -2.088
84 HE3 LYS 14 2HE LYS 14 1.644 -10.673 -2.338
85 HZ1 LYS 14 3HZ LYS 14 0.842 -12.027 0.116
86 HZ2 LYS 14 1HZ LYS 14 0.361 -10.414 -0.054
87 HZ3 LYS 14 2HZ LYS 14 2.001 -10.819 -0.124
88 H CYS 15 H CYS 15 -0.493 -6.168 -1.871
89 HA CYS 15 HA CYS 15 0.566 -5.088 -4.290
90 HB2 CYS 15 1HB CYS 15 0.683 -3.783 -2.260
91 HB3 CYS 15 2HB CYS 15 1.600 -5.048 -1.449
92 H ASP 16 H ASP 16 2.529 -5.502 -5.297
93 HA ASP 16 HA ASP 16 3.614 -8.178 -4.779
94 HB2 ASP 16 1HB ASP 16 4.268 -6.537 -7.205
95 HB3 ASP 16 2HB ASP 16 4.245 -8.289 -7.024
96 H VAL 17 H VAL 17 4.493 -4.797 -4.978
97 HA VAL 17 HA VAL 17 7.234 -4.883 -5.109
98 HB VAL 17 HB VAL 17 5.601 -3.046 -3.351
99 HG11 VAL 17 1HG1 VAL 17 8.117 -2.121 -4.572
100 HG12 VAL 17 2HG1 VAL 17 7.441 -1.797 -2.974
101 HG13 VAL 17 3HG1 VAL 17 8.285 -3.314 -3.285
102 HG21 VAL 17 3HG2 VAL 17 6.622 -2.363 -6.080
103 HG22 VAL 17 1HG2 VAL 17 5.104 -3.242 -5.890
104 HG23 VAL 17 2HG2 VAL 17 5.293 -1.643 -5.170
105 H CYS 18 H CYS 18 5.398 -4.721 -2.050
106 HA CYS 18 HA CYS 18 7.700 -5.925 -0.686
107 HB2 CYS 18 1HB CYS 18 6.644 -5.120 1.392
108 HB3 CYS 18 2HB CYS 18 6.924 -3.810 0.249
109 H GLY 19 H GLY 19 4.171 -6.223 -0.969
110 HA2 GLY 19 1HA GLY 19 3.300 -8.501 -1.290
111 HA3 GLY 19 2HA GLY 19 4.452 -9.025 -0.072
112 H LYS 20 H LYS 20 1.847 -6.609 -0.398
113 HA LYS 20 HA LYS 20 0.964 -7.359 2.312
114 HB2 LYS 20 1HB LYS 20 1.775 -4.933 1.704
115 HB3 LYS 20 2HB LYS 20 0.164 -4.782 1.015
116 HG2 LYS 20 1HG LYS 20 -0.870 -4.877 3.052
117 HG3 LYS 20 2HG LYS 20 0.432 -5.812 3.792
118 HD2 LYS 20 1HD LYS 20 1.870 -3.801 3.708
119 HD3 LYS 20 2HD LYS 20 0.506 -2.883 3.065
120 HE2 LYS 20 1HE LYS 20 0.652 -2.481 5.425
121 HE3 LYS 20 2HE LYS 20 -0.775 -3.469 5.113
122 HZ1 LYS 20 3HZ LYS 20 1.497 -5.099 5.598
123 HZ2 LYS 20 1HZ LYS 20 0.017 -5.058 6.417
124 HZ3 LYS 20 2HZ LYS 20 1.267 -4.017 6.878
125 H GLU 21 H GLU 21 -1.351 -7.290 2.715
126 HA GLU 21 HA GLU 21 -2.972 -7.717 0.295
127 HB2 GLU 21 1HB GLU 21 -2.583 -9.494 2.644
128 HB3 GLU 21 2HB GLU 21 -4.214 -9.373 1.998
129 HG2 GLU 21 1HG GLU 21 -3.099 -9.852 -0.279
130 HG3 GLU 21 2HG GLU 21 -1.742 -10.423 0.690
131 H PHE 22 H PHE 22 -4.994 -6.858 0.306
132 HA PHE 22 HA PHE 22 -5.970 -5.648 2.797
133 HB2 PHE 22 1HB PHE 22 -6.113 -4.218 0.144
134 HB3 PHE 22 2HB PHE 22 -6.476 -3.572 1.741
135 HD1 PHE 22 HD1 PHE 22 -3.735 -4.793 -0.421
136 HD2 PHE 22 HD2 PHE 22 -4.806 -2.580 3.053
137 HE1 PHE 22 HE1 PHE 22 -1.422 -3.974 -0.233
138 HE2 PHE 22 HE2 PHE 22 -2.496 -1.757 3.246
139 HZ PHE 22 HZ PHE 22 -0.800 -2.453 1.601
140 H SER 23 H SER 23 -8.301 -4.866 2.491
141 HA SER 23 HA SER 23 -9.770 -7.027 1.170
142 HB2 SER 23 1HB SER 23 -10.275 -6.713 3.527
143 HB3 SER 23 2HB SER 23 -10.643 -5.010 3.253
144 HG SER 23 HG SER 23 -12.044 -6.876 1.734
145 H GLN 24 H GLN 24 -9.664 -3.496 1.384
146 HA GLN 24 HA GLN 24 -11.474 -3.340 -0.926
147 HB2 GLN 24 1HB GLN 24 -10.675 -1.184 1.037
148 HB3 GLN 24 2HB GLN 24 -11.811 -0.989 -0.291
149 HG2 GLN 24 1HG GLN 24 -12.242 -3.021 1.869
150 HG3 GLN 24 2HG GLN 24 -12.761 -1.345 2.044
151 HE21 GLN 24 1HE2 GLN 24 -14.041 -4.145 1.580
152 HE22 GLN 24 2HE2 GLN 24 -15.258 -3.809 0.400
153 H SER 25 H SER 25 -10.988 -1.771 -2.599
154 HA SER 25 HA SER 25 -8.342 -1.995 -3.547
155 HB2 SER 25 1HB SER 25 -9.096 -0.346 -5.291
156 HB3 SER 25 2HB SER 25 -10.141 -1.757 -5.127
157 HG SER 25 HG SER 25 -11.499 -0.043 -5.139
158 H SER 26 H SER 26 -10.125 0.777 -2.209
159 HA SER 26 HA SER 26 -8.269 2.766 -2.443
160 HB2 SER 26 1HB SER 26 -9.234 3.710 -0.322
161 HB3 SER 26 2HB SER 26 -10.442 3.235 -1.516
162 HG SER 26 HG SER 26 -10.894 2.528 0.661
163 H HIS 27 H HIS 27 -8.481 0.419 0.223
164 HA HIS 27 HA HIS 27 -6.461 1.235 1.850
165 HB2 HIS 27 1HB HIS 27 -7.148 -1.592 1.030
166 HB3 HIS 27 2HB HIS 27 -6.076 -1.193 2.370
167 HD1 HIS 27 HD1 HIS 27 -7.764 -2.386 3.979
168 HD2 HIS 27 HD2 HIS 27 -9.266 0.973 2.049
169 HE1 HIS 27 HE1 HIS 27 -9.871 -1.787 5.214
170 H LEU 28 H LEU 28 -6.010 -1.022 -0.878
171 HA LEU 28 HA LEU 28 -3.231 -1.161 -0.753
172 HB2 LEU 28 1HB LEU 28 -4.515 -2.712 -2.072
173 HB3 LEU 28 2HB LEU 28 -5.083 -1.411 -3.116
174 HG LEU 28 HG LEU 28 -2.682 -1.095 -3.828
175 HD11 LEU 28 1HD1 LEU 28 -2.257 -2.980 -1.761
176 HD12 LEU 28 2HD1 LEU 28 -1.066 -2.218 -2.815
177 HD13 LEU 28 3HD1 LEU 28 -1.812 -3.745 -3.287
178 HD21 LEU 28 3HD2 LEU 28 -2.718 -3.140 -5.290
179 HD22 LEU 28 1HD2 LEU 28 -4.185 -2.163 -5.324
180 HD23 LEU 28 2HD2 LEU 28 -4.147 -3.663 -4.398
181 H GLN 29 H GLN 29 -5.301 1.027 -2.634
182 HA GLN 29 HA GLN 29 -3.384 2.383 -4.076
183 HB2 GLN 29 1HB GLN 29 -5.902 3.483 -2.816
184 HB3 GLN 29 2HB GLN 29 -4.958 4.312 -4.047
185 HG2 GLN 29 1HG GLN 29 -6.154 1.590 -4.467
186 HG3 GLN 29 2HG GLN 29 -7.006 3.086 -4.844
187 HE21 GLN 29 1HE2 GLN 29 -6.173 0.944 -6.620
188 HE22 GLN 29 2HE2 GLN 29 -5.144 1.668 -7.804
189 H THR 30 H THR 30 -4.463 2.994 -0.758
190 HA THR 30 HA THR 30 -2.847 5.285 -0.345
191 HB THR 30 HB THR 30 -4.025 3.369 1.676
192 HG1 THR 30 HG1 THR 30 -5.709 4.817 1.741
193 HG21 THR 30 3HG2 THR 30 -2.556 4.446 3.034
194 HG22 THR 30 1HG2 THR 30 -3.807 5.688 3.006
195 HG23 THR 30 2HG2 THR 30 -2.400 5.828 1.951
196 H HIS 31 H HIS 31 -2.408 1.855 0.460
197 HA HIS 31 HA HIS 31 0.013 2.076 1.829
198 HB2 HIS 31 1HB HIS 31 -0.900 -0.026 2.046
199 HB3 HIS 31 2HB HIS 31 -1.376 -0.111 0.352
200 HD1 HIS 31 HD1 HIS 31 1.681 -0.470 2.545
201 HD2 HIS 31 HD2 HIS 31 0.387 -1.425 -1.286
202 HE1 HIS 31 HE1 HIS 31 3.471 -1.950 1.580
203 H GLN 32 H GLN 32 -0.598 1.541 -1.629
204 HA GLN 32 HA GLN 32 1.890 1.138 -2.621
205 HB2 GLN 32 1HB GLN 32 -0.394 2.771 -3.687
206 HB3 GLN 32 2HB GLN 32 1.108 2.633 -4.592
207 HG2 GLN 32 1HG GLN 32 0.772 0.086 -4.289
208 HG3 GLN 32 2HG GLN 32 -0.897 0.523 -3.928
209 HE21 GLN 32 1HE2 GLN 32 -0.509 -1.061 -6.024
210 HE22 GLN 32 2HE2 GLN 32 -0.731 -0.208 -7.510
211 H ARG 33 H ARG 33 0.744 4.000 -1.077
212 HA ARG 33 HA ARG 33 2.396 5.969 -2.088
213 HB2 ARG 33 1HB ARG 33 1.417 5.532 0.735
214 HB3 ARG 33 2HB ARG 33 2.238 6.996 0.209
215 HG2 ARG 33 1HG ARG 33 -0.136 6.101 -1.331
216 HG3 ARG 33 2HG ARG 33 -0.391 6.813 0.263
217 HD2 ARG 33 1HD ARG 33 1.071 8.065 -2.058
218 HD3 ARG 33 2HD ARG 33 -0.515 8.527 -1.443
219 HE ARG 33 HE ARG 33 1.340 8.715 0.645
220 HH11 ARG 33 1HH1 ARG 33 0.572 10.257 -2.380
221 HH12 ARG 33 2HH1 ARG 33 1.197 11.801 -1.901
222 HH21 ARG 33 1HH2 ARG 33 2.166 10.741 1.287
223 HH22 ARG 33 2HH2 ARG 33 2.104 12.075 0.185
224 H VAL 34 H VAL 34 3.097 3.555 0.405
225 HA VAL 34 HA VAL 34 5.607 4.481 1.199
226 HB VAL 34 HB VAL 34 6.048 2.253 2.027
227 HG11 VAL 34 1HG1 VAL 34 3.095 2.720 2.354
228 HG12 VAL 34 2HG1 VAL 34 4.228 2.025 3.515
229 HG13 VAL 34 3HG1 VAL 34 4.314 3.741 3.117
230 HG21 VAL 34 3HG2 VAL 34 3.906 0.663 1.414
231 HG22 VAL 34 1HG2 VAL 34 4.204 1.498 -0.111
232 HG23 VAL 34 2HG2 VAL 34 5.495 0.570 0.654
233 H HIS 35 H HIS 35 4.650 3.304 -1.804
234 HA HIS 35 HA HIS 35 7.441 2.704 -2.537
235 HB2 HIS 35 1HB HIS 35 4.977 1.690 -3.961
236 HB3 HIS 35 2HB HIS 35 6.646 1.195 -4.228
237 HD1 HIS 35 HD1 HIS 35 7.675 0.368 -1.613
238 HD2 HIS 35 HD2 HIS 35 3.719 -0.316 -2.681
239 HE1 HIS 35 HE1 HIS 35 6.896 -1.515 -0.138
240 H THR 36 H THR 36 5.967 5.291 -2.474
241 HA THR 36 HA THR 36 6.195 5.978 -5.333
242 HB THR 36 HB THR 36 4.624 7.809 -4.959
243 HG1 THR 36 HG1 THR 36 5.253 7.692 -2.514
244 HG21 THR 36 3HG2 THR 36 2.603 6.361 -4.252
245 HG22 THR 36 1HG2 THR 36 3.769 5.040 -4.180
246 HG23 THR 36 2HG2 THR 36 3.504 5.900 -5.697
247 H GLY 37 H GLY 37 7.649 7.484 -5.895
248 HA2 GLY 37 1HA GLY 37 8.662 9.324 -3.846
249 HA3 GLY 37 2HA GLY 37 9.814 8.293 -4.682
250 H GLU 38 H GLU 38 9.193 8.350 -7.238
251 HA GLU 38 HA GLU 38 9.772 11.079 -7.988
252 HB2 GLU 38 1HB GLU 38 10.708 8.800 -8.962
253 HB3 GLU 38 2HB GLU 38 9.307 8.939 -10.014
254 HG2 GLU 38 1HG GLU 38 11.019 9.935 -11.222
255 HG3 GLU 38 2HG GLU 38 10.146 11.297 -10.520
256 H LYS 39 H LYS 39 8.618 12.214 -9.675
257 HA LYS 39 HA LYS 39 6.732 13.154 -10.532
258 HB2 LYS 39 1HB LYS 39 6.186 10.222 -10.730
259 HB3 LYS 39 2HB LYS 39 4.886 11.349 -11.094
260 HG2 LYS 39 1HG LYS 39 5.785 11.048 -13.171
261 HG3 LYS 39 2HG LYS 39 6.692 12.462 -12.629
262 HD2 LYS 39 1HD LYS 39 8.422 11.171 -13.371
263 HD3 LYS 39 2HD LYS 39 8.330 10.595 -11.705
264 HE2 LYS 39 1HE LYS 39 6.688 9.245 -13.794
265 HE3 LYS 39 2HE LYS 39 8.418 8.912 -13.726
266 HZ1 LYS 39 3HZ LYS 39 8.124 8.315 -11.368
267 HZ2 LYS 39 1HZ LYS 39 7.247 7.310 -12.409
268 HZ3 LYS 39 2HZ LYS 39 6.453 8.521 -11.535
269 HA PRO 40 HA PRO 40 4.681 12.680 -6.299
270 HB2 PRO 40 1HB PRO 40 5.481 15.067 -5.284
271 HB3 PRO 40 2HB PRO 40 6.422 13.582 -5.102
272 HG2 PRO 40 1HG PRO 40 6.777 15.822 -7.056
273 HG3 PRO 40 2HG PRO 40 8.005 14.942 -6.127
274 HD2 PRO 40 1HD PRO 40 7.489 14.410 -8.732
275 HD3 PRO 40 2HD PRO 40 8.010 13.157 -7.586
276 H SER 41 H SER 41 2.663 12.922 -7.232
277 HA SER 41 HA SER 41 1.643 14.928 -8.760
278 HB2 SER 41 1HB SER 41 -0.559 14.320 -7.959
279 HB3 SER 41 2HB SER 41 0.423 12.859 -8.064
280 HG SER 41 HG SER 41 0.080 14.351 -5.678
281 H GLY 42 H GLY 42 1.784 17.055 -8.498
282 HA2 GLY 42 1HA GLY 42 1.408 18.151 -5.780
283 HA3 GLY 42 2HA GLY 42 2.416 18.898 -7.011
284 HA PRO 43 HA PRO 43 -2.265 19.605 -8.148
285 HB2 PRO 43 1HB PRO 43 -3.955 19.472 -6.027
286 HB3 PRO 43 2HB PRO 43 -3.598 18.082 -7.060
287 HG2 PRO 43 1HG PRO 43 -2.458 18.797 -4.386
288 HG3 PRO 43 2HG PRO 43 -2.987 17.216 -4.990
289 HD2 PRO 43 1HD PRO 43 -0.381 17.946 -4.908
290 HD3 PRO 43 2HD PRO 43 -1.031 16.868 -6.159
291 H SER 44 H SER 44 -1.209 21.669 -8.270
292 HA SER 44 HA SER 44 -0.959 23.441 -6.097
293 HB2 SER 44 1HB SER 44 -1.197 24.017 -9.060
294 HB3 SER 44 2HB SER 44 -0.721 25.202 -7.843
295 HG SER 44 HG SER 44 0.682 22.800 -7.889
296 H SER 45 H SER 45 -3.461 23.166 -8.608
297 HA SER 45 HA SER 45 -5.111 25.133 -7.240
298 HB2 SER 45 1HB SER 45 -4.789 24.761 -9.846
299 HB3 SER 45 2HB SER 45 -6.093 23.598 -9.608
300 HG SER 45 HG SER 45 -6.286 26.220 -9.846
301 H GLY 46 H GLY 46 -6.387 24.527 -5.628
302 HA2 GLY 46 1HA GLY 46 -7.423 21.765 -5.618
303 HA3 GLY 46 2HA GLY 46 -7.178 22.751 -4.184
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -4.215 -26.003 1.144
2 HA2 GLY 1 1HA GLY 1 -3.553 -28.823 0.601
3 HA3 GLY 1 2HA GLY 1 -3.753 -28.265 2.255
4 H SER 2 H SER 2 -5.892 -27.162 2.702
5 HA SER 2 HA SER 2 -8.064 -28.322 1.101
6 HB2 SER 2 1HB SER 2 -7.839 -29.842 2.948
7 HB3 SER 2 2HB SER 2 -7.745 -28.513 4.103
8 HG SER 2 HG SER 2 -9.823 -28.776 4.247
9 H SER 3 H SER 3 -10.018 -27.180 1.140
10 HA SER 3 HA SER 3 -10.060 -24.522 0.948
11 HB2 SER 3 1HB SER 3 -12.165 -26.394 1.979
12 HB3 SER 3 2HB SER 3 -12.482 -24.660 1.935
13 HG SER 3 HG SER 3 -12.985 -25.030 -0.070
14 H GLY 4 H GLY 4 -9.888 -22.745 2.185
15 HA2 GLY 4 1HA GLY 4 -9.660 -23.163 5.099
16 HA3 GLY 4 2HA GLY 4 -8.791 -21.927 4.201
17 H SER 5 H SER 5 -9.776 -19.993 3.742
18 HA SER 5 HA SER 5 -12.087 -19.362 5.353
19 HB2 SER 5 1HB SER 5 -11.692 -17.031 4.403
20 HB3 SER 5 2HB SER 5 -10.375 -17.710 5.359
21 HG SER 5 HG SER 5 -10.451 -18.014 2.556
22 H SER 6 H SER 6 -11.328 -19.798 1.964
23 HA SER 6 HA SER 6 -12.609 -19.492 0.064
24 HB2 SER 6 1HB SER 6 -14.473 -21.115 1.814
25 HB3 SER 6 2HB SER 6 -14.531 -21.023 0.053
26 HG SER 6 HG SER 6 -13.121 -22.684 1.520
27 H GLY 7 H GLY 7 -12.822 -17.200 1.622
28 HA2 GLY 7 1HA GLY 7 -14.802 -15.737 0.560
29 HA3 GLY 7 2HA GLY 7 -15.636 -16.535 1.885
30 H MET 8 H MET 8 -12.722 -14.607 1.212
31 HA MET 8 HA MET 8 -12.968 -13.454 3.907
32 HB2 MET 8 1HB MET 8 -10.819 -14.595 3.331
33 HB3 MET 8 2HB MET 8 -10.567 -13.393 2.074
34 HG2 MET 8 1HG MET 8 -10.754 -11.657 3.923
35 HG3 MET 8 2HG MET 8 -10.593 -13.006 5.045
36 HE1 MET 8 3HE MET 8 -7.355 -11.223 2.341
37 HE2 MET 8 1HE MET 8 -8.878 -11.785 1.651
38 HE3 MET 8 2HE MET 8 -8.875 -10.471 2.828
39 H GLY 9 H GLY 9 -12.129 -12.541 0.562
40 HA2 GLY 9 1HA GLY 9 -13.709 -10.131 0.796
41 HA3 GLY 9 2HA GLY 9 -11.977 -9.846 0.701
42 H GLU 10 H GLU 10 -14.728 -9.993 -1.080
43 HA GLU 10 HA GLU 10 -14.223 -11.403 -3.370
44 HB2 GLU 10 1HB GLU 10 -15.485 -8.674 -3.085
45 HB3 GLU 10 2HB GLU 10 -15.527 -9.618 -4.567
46 HG2 GLU 10 1HG GLU 10 -16.789 -10.281 -1.925
47 HG3 GLU 10 2HG GLU 10 -17.590 -9.952 -3.460
48 H LYS 11 H LYS 11 -12.502 -8.696 -2.172
49 HA LYS 11 HA LYS 11 -11.051 -8.456 -4.727
50 HB2 LYS 11 1HB LYS 11 -11.390 -6.386 -2.549
51 HB3 LYS 11 2HB LYS 11 -10.432 -6.175 -4.009
52 HG2 LYS 11 1HG LYS 11 -13.292 -6.915 -4.307
53 HG3 LYS 11 2HG LYS 11 -12.897 -5.265 -3.820
54 HD2 LYS 11 1HD LYS 11 -12.867 -5.003 -6.088
55 HD3 LYS 11 2HD LYS 11 -11.185 -5.475 -5.833
56 HE2 LYS 11 1HE LYS 11 -11.578 -7.670 -6.565
57 HE3 LYS 11 2HE LYS 11 -13.325 -7.502 -6.404
58 HZ1 LYS 11 3HZ LYS 11 -12.479 -7.429 -8.728
59 HZ2 LYS 11 1HZ LYS 11 -11.709 -5.968 -8.361
60 HZ3 LYS 11 2HZ LYS 11 -13.395 -6.078 -8.284
61 H CYS 12 H CYS 12 -9.288 -9.699 -4.555
62 HA CYS 12 HA CYS 12 -7.867 -9.898 -2.025
63 HB2 CYS 12 1HB CYS 12 -7.448 -11.270 -4.687
64 HB3 CYS 12 2HB CYS 12 -6.460 -11.561 -3.260
65 HG CYS 12 HG CYS 12 -8.922 -13.291 -4.104
66 H TYR 13 H TYR 13 -7.807 -7.337 -3.136
67 HA TYR 13 HA TYR 13 -5.707 -6.662 -4.778
68 HB2 TYR 13 1HB TYR 13 -7.125 -5.282 -2.555
69 HB3 TYR 13 2HB TYR 13 -5.617 -4.570 -3.119
70 HD1 TYR 13 HD1 TYR 13 -8.304 -6.306 -5.035
71 HD2 TYR 13 HD2 TYR 13 -6.230 -2.664 -4.301
72 HE1 TYR 13 HE1 TYR 13 -9.509 -5.251 -6.902
73 HE2 TYR 13 HE2 TYR 13 -7.430 -1.598 -6.166
74 HH TYR 13 HH TYR 13 -10.077 -2.474 -7.390
75 H LYS 14 H LYS 14 -3.749 -7.578 -4.610
76 HA LYS 14 HA LYS 14 -2.379 -7.416 -2.005
77 HB2 LYS 14 1HB LYS 14 -2.744 -9.730 -2.665
78 HB3 LYS 14 2HB LYS 14 -2.008 -9.427 -4.233
79 HG2 LYS 14 1HG LYS 14 0.137 -9.207 -3.306
80 HG3 LYS 14 2HG LYS 14 -0.500 -9.044 -1.668
81 HD2 LYS 14 1HD LYS 14 -1.364 -11.393 -1.875
82 HD3 LYS 14 2HD LYS 14 -0.472 -11.516 -3.393
83 HE2 LYS 14 1HE LYS 14 0.786 -10.805 -0.749
84 HE3 LYS 14 2HE LYS 14 0.719 -12.443 -1.397
85 HZ1 LYS 14 3HZ LYS 14 2.346 -12.017 -2.854
86 HZ2 LYS 14 1HZ LYS 14 2.722 -10.717 -1.838
87 HZ3 LYS 14 2HZ LYS 14 1.777 -10.465 -3.219
88 H CYS 15 H CYS 15 -0.245 -6.715 -1.955
89 HA CYS 15 HA CYS 15 0.527 -5.049 -4.211
90 HB2 CYS 15 1HB CYS 15 0.643 -4.016 -2.035
91 HB3 CYS 15 2HB CYS 15 1.644 -5.326 -1.416
92 H ASP 16 H ASP 16 2.075 -5.538 -5.627
93 HA ASP 16 HA ASP 16 3.582 -8.014 -5.227
94 HB2 ASP 16 1HB ASP 16 4.218 -7.346 -7.737
95 HB3 ASP 16 2HB ASP 16 2.728 -8.197 -7.338
96 H VAL 17 H VAL 17 4.292 -5.603 -3.785
97 HA VAL 17 HA VAL 17 6.974 -5.137 -4.918
98 HB VAL 17 HB VAL 17 5.392 -3.200 -3.224
99 HG11 VAL 17 1HG1 VAL 17 7.410 -2.335 -2.824
100 HG12 VAL 17 2HG1 VAL 17 8.177 -3.349 -4.047
101 HG13 VAL 17 3HG1 VAL 17 7.408 -1.832 -4.513
102 HG21 VAL 17 3HG2 VAL 17 4.632 -2.161 -5.079
103 HG22 VAL 17 1HG2 VAL 17 6.089 -2.521 -6.006
104 HG23 VAL 17 2HG2 VAL 17 4.844 -3.755 -5.805
105 H CYS 18 H CYS 18 5.128 -5.084 -1.869
106 HA CYS 18 HA CYS 18 7.569 -5.963 -0.475
107 HB2 CYS 18 1HB CYS 18 6.619 -5.012 1.556
108 HB3 CYS 18 2HB CYS 18 6.665 -3.794 0.285
109 H GLY 19 H GLY 19 4.107 -6.526 -0.854
110 HA2 GLY 19 1HA GLY 19 3.417 -8.884 -0.926
111 HA3 GLY 19 2HA GLY 19 4.494 -9.157 0.435
112 H LYS 20 H LYS 20 2.217 -6.490 -0.030
113 HA LYS 20 HA LYS 20 0.976 -7.195 2.524
114 HB2 LYS 20 1HB LYS 20 1.857 -4.816 1.751
115 HB3 LYS 20 2HB LYS 20 0.258 -4.716 1.025
116 HG2 LYS 20 1HG LYS 20 -0.203 -3.804 3.048
117 HG3 LYS 20 2HG LYS 20 -0.486 -5.502 3.440
118 HD2 LYS 20 1HD LYS 20 2.109 -5.414 3.990
119 HD3 LYS 20 2HD LYS 20 1.743 -3.706 4.240
120 HE2 LYS 20 1HE LYS 20 0.257 -4.155 5.978
121 HE3 LYS 20 2HE LYS 20 0.055 -5.839 5.496
122 HZ1 LYS 20 3HZ LYS 20 1.663 -6.404 6.884
123 HZ2 LYS 20 1HZ LYS 20 1.829 -4.794 7.376
124 HZ3 LYS 20 2HZ LYS 20 2.759 -5.386 6.094
125 H GLU 21 H GLU 21 -1.362 -7.078 2.746
126 HA GLU 21 HA GLU 21 -2.844 -7.547 0.256
127 HB2 GLU 21 1HB GLU 21 -2.509 -9.405 2.550
128 HB3 GLU 21 2HB GLU 21 -4.111 -9.300 1.834
129 HG2 GLU 21 1HG GLU 21 -2.912 -9.677 -0.404
130 HG3 GLU 21 2HG GLU 21 -1.551 -10.209 0.582
131 H PHE 22 H PHE 22 -4.831 -6.649 0.192
132 HA PHE 22 HA PHE 22 -5.983 -5.627 2.692
133 HB2 PHE 22 1HB PHE 22 -6.059 -3.995 0.166
134 HB3 PHE 22 2HB PHE 22 -6.364 -3.475 1.821
135 HD1 PHE 22 HD1 PHE 22 -3.737 -4.485 -0.563
136 HD2 PHE 22 HD2 PHE 22 -4.610 -2.727 3.214
137 HE1 PHE 22 HE1 PHE 22 -1.400 -3.738 -0.374
138 HE2 PHE 22 HE2 PHE 22 -2.275 -1.977 3.409
139 HZ PHE 22 HZ PHE 22 -0.667 -2.482 1.613
140 H SER 23 H SER 23 -8.281 -5.167 2.563
141 HA SER 23 HA SER 23 -9.626 -7.092 0.843
142 HB2 SER 23 1HB SER 23 -10.584 -5.438 3.186
143 HB3 SER 23 2HB SER 23 -11.628 -6.517 2.261
144 HG SER 23 HG SER 23 -10.467 -8.249 2.965
145 H GLN 24 H GLN 24 -9.585 -3.621 1.473
146 HA GLN 24 HA GLN 24 -11.494 -3.186 -0.705
147 HB2 GLN 24 1HB GLN 24 -10.366 -1.276 1.348
148 HB3 GLN 24 2HB GLN 24 -11.524 -0.837 0.100
149 HG2 GLN 24 1HG GLN 24 -12.100 -3.004 2.086
150 HG3 GLN 24 2HG GLN 24 -12.409 -1.306 2.444
151 HE21 GLN 24 1HE2 GLN 24 -14.623 -1.656 2.597
152 HE22 GLN 24 2HE2 GLN 24 -15.609 -1.933 1.206
153 H SER 25 H SER 25 -11.043 -1.638 -2.368
154 HA SER 25 HA SER 25 -8.516 -1.957 -3.552
155 HB2 SER 25 1HB SER 25 -10.310 -1.515 -5.023
156 HB3 SER 25 2HB SER 25 -10.820 -0.095 -4.109
157 HG SER 25 HG SER 25 -9.214 -0.165 -6.187
158 H SER 26 H SER 26 -9.984 0.987 -2.170
159 HA SER 26 HA SER 26 -7.844 2.696 -2.397
160 HB2 SER 26 1HB SER 26 -9.832 3.678 -1.641
161 HB3 SER 26 2HB SER 26 -10.043 2.488 -0.357
162 HG SER 26 HG SER 26 -8.808 4.863 -0.259
163 H HIS 27 H HIS 27 -8.486 0.351 0.175
164 HA HIS 27 HA HIS 27 -6.517 0.988 1.981
165 HB2 HIS 27 1HB HIS 27 -7.571 -1.711 1.136
166 HB3 HIS 27 2HB HIS 27 -6.456 -1.503 2.484
167 HD1 HIS 27 HD1 HIS 27 -8.337 -2.440 4.058
168 HD2 HIS 27 HD2 HIS 27 -9.243 1.160 2.193
169 HE1 HIS 27 HE1 HIS 27 -10.324 -1.523 5.297
170 H LEU 28 H LEU 28 -6.176 -0.418 -1.171
171 HA LEU 28 HA LEU 28 -3.415 -1.197 -0.717
172 HB2 LEU 28 1HB LEU 28 -4.625 -2.680 -2.095
173 HB3 LEU 28 2HB LEU 28 -5.268 -1.364 -3.075
174 HG LEU 28 HG LEU 28 -2.960 -0.980 -3.944
175 HD11 LEU 28 1HD1 LEU 28 -1.684 -3.364 -3.565
176 HD12 LEU 28 2HD1 LEU 28 -2.387 -3.063 -1.976
177 HD13 LEU 28 3HD1 LEU 28 -1.320 -1.866 -2.709
178 HD21 LEU 28 3HD2 LEU 28 -4.412 -3.566 -4.369
179 HD22 LEU 28 1HD2 LEU 28 -2.936 -3.196 -5.260
180 HD23 LEU 28 2HD2 LEU 28 -4.342 -2.142 -5.409
181 H GLN 29 H GLN 29 -5.157 1.032 -2.885
182 HA GLN 29 HA GLN 29 -3.012 2.255 -4.098
183 HB2 GLN 29 1HB GLN 29 -4.486 3.855 -4.825
184 HB3 GLN 29 2HB GLN 29 -5.618 2.606 -4.325
185 HG2 GLN 29 1HG GLN 29 -5.915 3.751 -2.177
186 HG3 GLN 29 2HG GLN 29 -4.812 5.017 -2.714
187 HE21 GLN 29 1HE2 GLN 29 -6.498 6.530 -2.405
188 HE22 GLN 29 2HE2 GLN 29 -7.765 6.698 -3.567
189 H THR 30 H THR 30 -4.490 3.050 -0.978
190 HA THR 30 HA THR 30 -2.943 5.323 -0.410
191 HB THR 30 HB THR 30 -4.185 3.355 1.524
192 HG1 THR 30 HG1 THR 30 -5.540 4.596 -0.061
193 HG21 THR 30 3HG2 THR 30 -3.749 6.197 2.243
194 HG22 THR 30 1HG2 THR 30 -2.328 5.153 2.220
195 HG23 THR 30 2HG2 THR 30 -3.701 4.753 3.253
196 H HIS 31 H HIS 31 -2.396 1.893 0.251
197 HA HIS 31 HA HIS 31 -0.037 2.279 1.791
198 HB2 HIS 31 1HB HIS 31 -0.974 0.206 2.188
199 HB3 HIS 31 2HB HIS 31 -1.377 -0.055 0.494
200 HD1 HIS 31 HD1 HIS 31 1.670 -0.020 2.756
201 HD2 HIS 31 HD2 HIS 31 0.380 -1.645 -0.844
202 HE1 HIS 31 HE1 HIS 31 3.488 -1.604 2.043
203 H GLN 32 H GLN 32 -0.657 1.636 -1.626
204 HA GLN 32 HA GLN 32 1.850 1.069 -2.565
205 HB2 GLN 32 1HB GLN 32 -0.477 2.535 -3.728
206 HB3 GLN 32 2HB GLN 32 1.045 2.538 -4.610
207 HG2 GLN 32 1HG GLN 32 0.946 -0.033 -4.267
208 HG3 GLN 32 2HG GLN 32 -0.767 0.257 -3.971
209 HE21 GLN 32 1HE2 GLN 32 -0.117 -1.314 -6.034
210 HE22 GLN 32 2HE2 GLN 32 -0.379 -0.504 -7.538
211 H ARG 33 H ARG 33 0.700 4.061 -1.275
212 HA ARG 33 HA ARG 33 2.414 5.913 -2.409
213 HB2 ARG 33 1HB ARG 33 1.248 5.727 0.364
214 HB3 ARG 33 2HB ARG 33 2.219 7.099 -0.153
215 HG2 ARG 33 1HG ARG 33 0.490 7.102 -2.155
216 HG3 ARG 33 2HG ARG 33 -0.522 6.301 -0.951
217 HD2 ARG 33 1HD ARG 33 0.896 8.933 -0.549
218 HD3 ARG 33 2HD ARG 33 -0.804 8.758 -0.981
219 HE ARG 33 HE ARG 33 0.396 8.297 1.610
220 HH11 ARG 33 1HH1 ARG 33 -2.363 7.804 -0.455
221 HH12 ARG 33 2HH1 ARG 33 -3.458 7.521 0.857
222 HH21 ARG 33 1HH2 ARG 33 -1.037 7.926 3.346
223 HH22 ARG 33 2HH2 ARG 33 -2.703 7.592 3.019
224 H VAL 34 H VAL 34 2.967 3.843 0.425
225 HA VAL 34 HA VAL 34 5.443 4.763 1.219
226 HB VAL 34 HB VAL 34 5.843 2.603 2.218
227 HG11 VAL 34 1HG1 VAL 34 3.244 3.929 2.395
228 HG12 VAL 34 2HG1 VAL 34 3.239 2.263 2.978
229 HG13 VAL 34 3HG1 VAL 34 4.357 3.439 3.671
230 HG21 VAL 34 3HG2 VAL 34 5.252 0.699 1.238
231 HG22 VAL 34 1HG2 VAL 34 3.547 1.136 1.354
232 HG23 VAL 34 2HG2 VAL 34 4.490 1.627 -0.054
233 H HIS 35 H HIS 35 4.618 3.193 -1.693
234 HA HIS 35 HA HIS 35 7.415 2.481 -2.233
235 HB2 HIS 35 1HB HIS 35 4.929 1.747 -3.793
236 HB3 HIS 35 2HB HIS 35 6.559 1.155 -4.097
237 HD1 HIS 35 HD1 HIS 35 7.465 0.277 -1.366
238 HD2 HIS 35 HD2 HIS 35 3.615 -0.388 -2.781
239 HE1 HIS 35 HE1 HIS 35 6.583 -1.662 -0.030
240 H THR 36 H THR 36 4.850 4.624 -3.157
241 HA THR 36 HA THR 36 6.590 5.784 -5.235
242 HB THR 36 HB THR 36 4.566 4.896 -6.242
243 HG1 THR 36 HG1 THR 36 5.459 7.221 -6.635
244 HG21 THR 36 3HG2 THR 36 2.937 6.802 -4.585
245 HG22 THR 36 1HG2 THR 36 3.228 5.142 -4.068
246 HG23 THR 36 2HG2 THR 36 2.383 5.458 -5.583
247 H GLY 37 H GLY 37 7.292 7.792 -4.893
248 HA2 GLY 37 1HA GLY 37 6.498 10.107 -4.319
249 HA3 GLY 37 2HA GLY 37 5.917 9.391 -2.823
250 H GLU 38 H GLU 38 8.117 7.707 -2.284
251 HA GLU 38 HA GLU 38 9.888 9.621 -1.098
252 HB2 GLU 38 1HB GLU 38 10.052 6.603 -1.195
253 HB3 GLU 38 2HB GLU 38 11.049 7.643 -0.187
254 HG2 GLU 38 1HG GLU 38 8.994 8.443 0.938
255 HG3 GLU 38 2HG GLU 38 8.068 7.280 -0.008
256 H LYS 39 H LYS 39 12.303 9.315 -1.259
257 HA LYS 39 HA LYS 39 14.142 9.693 -2.565
258 HB2 LYS 39 1HB LYS 39 13.060 7.037 -3.398
259 HB3 LYS 39 2HB LYS 39 14.409 7.713 -4.302
260 HG2 LYS 39 1HG LYS 39 14.548 7.571 -1.325
261 HG3 LYS 39 2HG LYS 39 14.850 6.127 -2.295
262 HD2 LYS 39 1HD LYS 39 16.253 8.713 -2.880
263 HD3 LYS 39 2HD LYS 39 16.855 7.608 -1.642
264 HE2 LYS 39 1HE LYS 39 16.640 5.824 -3.529
265 HE3 LYS 39 2HE LYS 39 16.658 7.223 -4.601
266 HZ1 LYS 39 3HZ LYS 39 18.794 6.114 -2.958
267 HZ2 LYS 39 1HZ LYS 39 18.735 7.801 -3.083
268 HZ3 LYS 39 2HZ LYS 39 18.869 6.853 -4.477
269 HA PRO 40 HA PRO 40 11.465 11.260 -6.142
270 HB2 PRO 40 1HB PRO 40 11.466 13.882 -5.436
271 HB3 PRO 40 2HB PRO 40 10.232 12.740 -4.890
272 HG2 PRO 40 1HG PRO 40 12.656 13.742 -3.447
273 HG3 PRO 40 2HG PRO 40 11.007 13.512 -2.838
274 HD2 PRO 40 1HD PRO 40 12.995 11.734 -2.370
275 HD3 PRO 40 2HD PRO 40 11.297 11.244 -2.545
276 H SER 41 H SER 41 13.073 10.961 -7.634
277 HA SER 41 HA SER 41 15.632 12.141 -7.523
278 HB2 SER 41 1HB SER 41 15.386 10.214 -8.892
279 HB3 SER 41 2HB SER 41 14.042 10.927 -9.783
280 HG SER 41 HG SER 41 16.319 10.919 -10.714
281 H GLY 42 H GLY 42 15.787 14.307 -7.364
282 HA2 GLY 42 1HA GLY 42 14.786 15.876 -9.628
283 HA3 GLY 42 2HA GLY 42 14.307 16.374 -8.012
284 HA PRO 43 HA PRO 43 18.168 18.673 -9.048
285 HB2 PRO 43 1HB PRO 43 17.325 21.014 -7.960
286 HB3 PRO 43 2HB PRO 43 16.946 20.534 -9.619
287 HG2 PRO 43 1HG PRO 43 15.254 20.340 -7.157
288 HG3 PRO 43 2HG PRO 43 14.798 20.859 -8.790
289 HD2 PRO 43 1HD PRO 43 14.260 18.379 -7.846
290 HD3 PRO 43 2HD PRO 43 14.603 18.695 -9.559
291 H SER 44 H SER 44 19.027 17.171 -7.393
292 HA SER 44 HA SER 44 19.747 16.607 -5.271
293 HB2 SER 44 1HB SER 44 21.270 18.458 -6.324
294 HB3 SER 44 2HB SER 44 20.593 19.478 -5.055
295 HG SER 44 HG SER 44 21.883 18.537 -3.707
296 H SER 45 H SER 45 17.042 17.178 -5.124
297 HA SER 45 HA SER 45 16.173 19.123 -3.386
298 HB2 SER 45 1HB SER 45 14.283 17.662 -2.880
299 HB3 SER 45 2HB SER 45 14.684 17.553 -4.594
300 HG SER 45 HG SER 45 15.473 15.716 -2.576
301 H GLY 46 H GLY 46 16.065 19.396 -1.195
302 HA2 GLY 46 1HA GLY 46 17.456 17.376 0.453
303 HA3 GLY 46 2HA GLY 46 17.772 19.095 0.637
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -8.749 -23.124 -19.148
2 HA2 GLY 1 1HA GLY 1 -8.861 -23.772 -21.942
3 HA3 GLY 1 2HA GLY 1 -9.110 -24.882 -20.603
4 H SER 2 H SER 2 -11.134 -25.502 -20.102
5 HA SER 2 HA SER 2 -13.372 -24.018 -21.299
6 HB2 SER 2 1HB SER 2 -13.054 -27.030 -21.319
7 HB3 SER 2 2HB SER 2 -14.454 -26.139 -21.915
8 HG SER 2 HG SER 2 -12.555 -26.832 -23.389
9 H SER 3 H SER 3 -13.728 -23.132 -19.214
10 HA SER 3 HA SER 3 -14.899 -25.047 -17.303
11 HB2 SER 3 1HB SER 3 -14.240 -23.458 -15.501
12 HB3 SER 3 2HB SER 3 -12.856 -24.130 -16.364
13 HG SER 3 HG SER 3 -13.652 -21.899 -17.597
14 H GLY 4 H GLY 4 -16.885 -24.589 -16.468
15 HA2 GLY 4 1HA GLY 4 -18.073 -21.970 -16.778
16 HA3 GLY 4 2HA GLY 4 -18.775 -23.204 -17.814
17 H SER 5 H SER 5 -17.907 -22.647 -14.406
18 HA SER 5 HA SER 5 -20.497 -23.790 -13.644
19 HB2 SER 5 1HB SER 5 -18.687 -25.537 -13.441
20 HB3 SER 5 2HB SER 5 -17.928 -24.514 -12.222
21 HG SER 5 HG SER 5 -19.316 -25.231 -10.830
22 H SER 6 H SER 6 -20.977 -23.354 -11.291
23 HA SER 6 HA SER 6 -20.887 -20.612 -10.786
24 HB2 SER 6 1HB SER 6 -21.405 -22.914 -8.891
25 HB3 SER 6 2HB SER 6 -21.694 -21.220 -8.495
26 HG SER 6 HG SER 6 -23.012 -22.858 -10.369
27 H GLY 7 H GLY 7 -20.001 -19.626 -8.723
28 HA2 GLY 7 1HA GLY 7 -18.223 -19.881 -7.008
29 HA3 GLY 7 2HA GLY 7 -17.251 -20.614 -8.275
30 H MET 8 H MET 8 -18.023 -17.755 -6.671
31 HA MET 8 HA MET 8 -16.222 -16.261 -8.383
32 HB2 MET 8 1HB MET 8 -17.887 -14.326 -8.448
33 HB3 MET 8 2HB MET 8 -18.194 -15.679 -9.528
34 HG2 MET 8 1HG MET 8 -20.006 -16.418 -8.307
35 HG3 MET 8 2HG MET 8 -19.478 -15.602 -6.837
36 HE1 MET 8 3HE MET 8 -22.328 -14.087 -9.970
37 HE2 MET 8 1HE MET 8 -21.116 -15.327 -10.296
38 HE3 MET 8 2HE MET 8 -22.339 -15.596 -9.054
39 H GLY 9 H GLY 9 -14.964 -14.943 -7.209
40 HA2 GLY 9 1HA GLY 9 -15.890 -14.221 -4.498
41 HA3 GLY 9 2HA GLY 9 -14.255 -14.795 -4.794
42 H GLU 10 H GLU 10 -14.101 -12.582 -3.574
43 HA GLU 10 HA GLU 10 -14.249 -10.304 -5.376
44 HB2 GLU 10 1HB GLU 10 -13.817 -8.942 -3.481
45 HB3 GLU 10 2HB GLU 10 -14.926 -10.195 -2.942
46 HG2 GLU 10 1HG GLU 10 -12.872 -11.448 -2.129
47 HG3 GLU 10 2HG GLU 10 -11.989 -9.945 -2.389
48 H LYS 11 H LYS 11 -12.384 -8.844 -5.592
49 HA LYS 11 HA LYS 11 -10.018 -10.352 -6.273
50 HB2 LYS 11 1HB LYS 11 -10.919 -8.555 -7.738
51 HB3 LYS 11 2HB LYS 11 -10.527 -7.379 -6.490
52 HG2 LYS 11 1HG LYS 11 -8.705 -7.174 -7.847
53 HG3 LYS 11 2HG LYS 11 -8.124 -8.403 -6.721
54 HD2 LYS 11 1HD LYS 11 -8.982 -10.119 -8.387
55 HD3 LYS 11 2HD LYS 11 -9.159 -8.779 -9.522
56 HE2 LYS 11 1HE LYS 11 -6.569 -9.312 -8.100
57 HE3 LYS 11 2HE LYS 11 -6.989 -10.145 -9.596
58 HZ1 LYS 11 3HZ LYS 11 -5.915 -7.579 -9.284
59 HZ2 LYS 11 1HZ LYS 11 -7.459 -7.412 -9.956
60 HZ3 LYS 11 2HZ LYS 11 -6.304 -8.383 -10.720
61 H CYS 12 H CYS 12 -8.556 -10.820 -4.774
62 HA CYS 12 HA CYS 12 -8.304 -9.289 -2.357
63 HB2 CYS 12 1HB CYS 12 -6.872 -11.695 -3.466
64 HB3 CYS 12 2HB CYS 12 -6.338 -10.908 -1.986
65 HG CYS 12 HG CYS 12 -7.961 -13.316 -1.641
66 H TYR 13 H TYR 13 -7.694 -7.228 -3.159
67 HA TYR 13 HA TYR 13 -5.572 -6.651 -4.840
68 HB2 TYR 13 1HB TYR 13 -7.007 -5.168 -2.698
69 HB3 TYR 13 2HB TYR 13 -5.473 -4.504 -3.249
70 HD1 TYR 13 HD1 TYR 13 -8.203 -6.226 -5.124
71 HD2 TYR 13 HD2 TYR 13 -5.963 -2.654 -4.557
72 HE1 TYR 13 HE1 TYR 13 -9.342 -5.213 -7.055
73 HE2 TYR 13 HE2 TYR 13 -7.096 -1.630 -6.485
74 HH TYR 13 HH TYR 13 -8.272 -2.559 -8.633
75 H LYS 14 H LYS 14 -3.705 -7.771 -4.545
76 HA LYS 14 HA LYS 14 -2.368 -7.524 -1.934
77 HB2 LYS 14 1HB LYS 14 -2.676 -9.827 -2.545
78 HB3 LYS 14 2HB LYS 14 -2.032 -9.542 -4.156
79 HG2 LYS 14 1HG LYS 14 0.167 -9.080 -3.201
80 HG3 LYS 14 2HG LYS 14 -0.479 -9.362 -1.582
81 HD2 LYS 14 1HD LYS 14 -0.992 -11.665 -2.163
82 HD3 LYS 14 2HD LYS 14 -0.431 -11.393 -3.814
83 HE2 LYS 14 1HE LYS 14 1.287 -11.101 -1.353
84 HE3 LYS 14 2HE LYS 14 1.226 -12.547 -2.361
85 HZ1 LYS 14 3HZ LYS 14 2.016 -9.849 -3.317
86 HZ2 LYS 14 1HZ LYS 14 2.040 -11.280 -4.220
87 HZ3 LYS 14 2HZ LYS 14 3.096 -11.086 -2.914
88 H CYS 15 H CYS 15 -0.682 -6.208 -1.787
89 HA CYS 15 HA CYS 15 0.271 -4.687 -3.951
90 HB2 CYS 15 1HB CYS 15 0.426 -3.849 -1.685
91 HB3 CYS 15 2HB CYS 15 1.474 -5.187 -1.223
92 H ASP 16 H ASP 16 1.524 -5.309 -5.568
93 HA ASP 16 HA ASP 16 3.161 -7.700 -5.316
94 HB2 ASP 16 1HB ASP 16 2.744 -5.932 -7.734
95 HB3 ASP 16 2HB ASP 16 3.445 -7.547 -7.719
96 H VAL 17 H VAL 17 4.036 -5.546 -3.744
97 HA VAL 17 HA VAL 17 6.602 -4.937 -5.055
98 HB VAL 17 HB VAL 17 5.105 -3.073 -3.207
99 HG11 VAL 17 1HG1 VAL 17 7.718 -3.156 -3.326
100 HG12 VAL 17 2HG1 VAL 17 7.472 -2.294 -4.847
101 HG13 VAL 17 3HG1 VAL 17 6.873 -1.608 -3.336
102 HG21 VAL 17 3HG2 VAL 17 5.555 -2.923 -6.187
103 HG22 VAL 17 1HG2 VAL 17 4.015 -3.185 -5.370
104 HG23 VAL 17 2HG2 VAL 17 4.853 -1.643 -5.198
105 H CYS 18 H CYS 18 4.950 -4.979 -1.896
106 HA CYS 18 HA CYS 18 7.465 -5.921 -0.689
107 HB2 CYS 18 1HB CYS 18 6.705 -5.006 1.409
108 HB3 CYS 18 2HB CYS 18 6.560 -3.760 0.173
109 H GLY 19 H GLY 19 3.970 -6.434 -0.810
110 HA2 GLY 19 1HA GLY 19 3.337 -8.842 -0.954
111 HA3 GLY 19 2HA GLY 19 4.412 -9.088 0.415
112 H LYS 20 H LYS 20 2.250 -6.344 0.068
113 HA LYS 20 HA LYS 20 0.941 -7.113 2.557
114 HB2 LYS 20 1HB LYS 20 1.856 -4.733 1.837
115 HB3 LYS 20 2HB LYS 20 0.266 -4.598 1.098
116 HG2 LYS 20 1HG LYS 20 -0.211 -3.722 3.131
117 HG3 LYS 20 2HG LYS 20 -0.504 -5.424 3.497
118 HD2 LYS 20 1HD LYS 20 2.151 -4.073 3.942
119 HD3 LYS 20 2HD LYS 20 0.895 -4.167 5.179
120 HE2 LYS 20 1HE LYS 20 2.067 -6.040 5.721
121 HE3 LYS 20 2HE LYS 20 0.981 -6.738 4.521
122 HZ1 LYS 20 3HZ LYS 20 2.750 -6.354 2.851
123 HZ2 LYS 20 1HZ LYS 20 3.189 -7.458 4.055
124 HZ3 LYS 20 2HZ LYS 20 3.789 -5.877 4.098
125 H GLU 21 H GLU 21 -1.387 -7.009 2.775
126 HA GLU 21 HA GLU 21 -2.868 -7.393 0.269
127 HB2 GLU 21 1HB GLU 21 -2.555 -9.311 2.517
128 HB3 GLU 21 2HB GLU 21 -4.154 -9.175 1.800
129 HG2 GLU 21 1HG GLU 21 -2.989 -9.526 -0.441
130 HG3 GLU 21 2HG GLU 21 -1.594 -10.039 0.506
131 H PHE 22 H PHE 22 -4.888 -6.540 0.238
132 HA PHE 22 HA PHE 22 -5.990 -5.506 2.757
133 HB2 PHE 22 1HB PHE 22 -6.000 -3.949 0.167
134 HB3 PHE 22 2HB PHE 22 -6.548 -3.395 1.746
135 HD1 PHE 22 HD2 PHE 22 -4.967 -2.735 3.453
136 HD2 PHE 22 HD1 PHE 22 -3.648 -4.072 -0.367
137 HE1 PHE 22 HE2 PHE 22 -2.725 -1.833 3.914
138 HE2 PHE 22 HE1 PHE 22 -1.404 -3.173 0.089
139 HZ PHE 22 HZ PHE 22 -0.940 -2.050 2.231
140 H SER 23 H SER 23 -8.287 -5.145 2.732
141 HA SER 23 HA SER 23 -9.671 -7.160 1.216
142 HB2 SER 23 1HB SER 23 -10.570 -5.151 3.284
143 HB3 SER 23 2HB SER 23 -11.688 -6.251 2.478
144 HG SER 23 HG SER 23 -10.727 -7.956 3.440
145 H GLN 24 H GLN 24 -9.645 -3.623 1.340
146 HA GLN 24 HA GLN 24 -11.371 -3.557 -1.036
147 HB2 GLN 24 1HB GLN 24 -10.720 -1.500 1.064
148 HB3 GLN 24 2HB GLN 24 -11.480 -1.061 -0.461
149 HG2 GLN 24 1HG GLN 24 -12.591 -3.018 1.539
150 HG3 GLN 24 2HG GLN 24 -13.101 -1.341 1.352
151 HE21 GLN 24 1HE2 GLN 24 -14.576 -3.878 1.049
152 HE22 GLN 24 2HE2 GLN 24 -15.258 -3.827 -0.537
153 H SER 25 H SER 25 -10.854 -1.852 -2.657
154 HA SER 25 HA SER 25 -8.208 -2.188 -3.606
155 HB2 SER 25 1HB SER 25 -10.166 -0.085 -4.539
156 HB3 SER 25 2HB SER 25 -8.861 -0.830 -5.462
157 HG SER 25 HG SER 25 -10.035 -2.842 -5.198
158 H SER 26 H SER 26 -9.901 0.787 -2.593
159 HA SER 26 HA SER 26 -7.909 2.609 -2.684
160 HB2 SER 26 1HB SER 26 -10.083 2.231 -0.636
161 HB3 SER 26 2HB SER 26 -8.962 3.588 -0.533
162 HG SER 26 HG SER 26 -11.021 3.876 -1.753
163 H HIS 27 H HIS 27 -8.491 0.432 0.074
164 HA HIS 27 HA HIS 27 -6.554 1.175 1.815
165 HB2 HIS 27 1HB HIS 27 -7.418 -1.608 1.034
166 HB3 HIS 27 2HB HIS 27 -6.326 -1.296 2.380
167 HD1 HIS 27 HD1 HIS 27 -7.686 -1.684 4.414
168 HD2 HIS 27 HD2 HIS 27 -9.744 0.538 1.570
169 HE1 HIS 27 HE1 HIS 27 -9.852 -1.030 5.511
170 H LEU 28 H LEU 28 -6.067 -0.921 -1.011
171 HA LEU 28 HA LEU 28 -3.327 -1.391 -0.615
172 HB2 LEU 28 1HB LEU 28 -4.592 -2.759 -2.121
173 HB3 LEU 28 2HB LEU 28 -4.997 -1.365 -3.121
174 HG LEU 28 HG LEU 28 -2.556 -1.179 -3.681
175 HD11 LEU 28 1HD1 LEU 28 -2.504 -3.623 -1.982
176 HD12 LEU 28 2HD1 LEU 28 -1.346 -2.299 -2.093
177 HD13 LEU 28 3HD1 LEU 28 -1.415 -3.518 -3.365
178 HD21 LEU 28 3HD2 LEU 28 -2.598 -3.153 -5.222
179 HD22 LEU 28 1HD2 LEU 28 -4.034 -2.132 -5.289
180 HD23 LEU 28 2HD2 LEU 28 -4.084 -3.667 -4.422
181 H GLN 29 H GLN 29 -4.873 0.857 -2.918
182 HA GLN 29 HA GLN 29 -2.670 2.138 -3.889
183 HB2 GLN 29 1HB GLN 29 -5.410 3.205 -3.240
184 HB3 GLN 29 2HB GLN 29 -4.186 4.205 -4.011
185 HG2 GLN 29 1HG GLN 29 -4.153 2.871 -5.940
186 HG3 GLN 29 2HG GLN 29 -5.017 1.557 -5.144
187 HE21 GLN 29 1HE2 GLN 29 -5.377 3.752 -7.432
188 HE22 GLN 29 2HE2 GLN 29 -7.061 4.111 -7.291
189 H THR 30 H THR 30 -4.436 2.987 -0.922
190 HA THR 30 HA THR 30 -3.001 5.206 -0.138
191 HB THR 30 HB THR 30 -4.077 3.050 1.691
192 HG1 THR 30 HG1 THR 30 -5.302 5.421 0.680
193 HG21 THR 30 3HG2 THR 30 -4.167 5.805 2.622
194 HG22 THR 30 1HG2 THR 30 -2.520 5.244 2.337
195 HG23 THR 30 2HG2 THR 30 -3.576 4.358 3.437
196 H HIS 31 H HIS 31 -2.252 1.792 0.476
197 HA HIS 31 HA HIS 31 0.117 2.353 1.969
198 HB2 HIS 31 1HB HIS 31 -0.768 0.271 2.489
199 HB3 HIS 31 2HB HIS 31 -1.132 -0.109 0.808
200 HD1 HIS 31 HD1 HIS 31 1.704 -0.083 3.273
201 HD2 HIS 31 HD2 HIS 31 0.890 -1.394 -0.585
202 HE1 HIS 31 HE1 HIS 31 3.650 -1.543 2.634
203 H GLN 32 H GLN 32 -0.596 1.644 -1.400
204 HA GLN 32 HA GLN 32 1.905 1.068 -2.392
205 HB2 GLN 32 1HB GLN 32 -0.485 2.449 -3.541
206 HB3 GLN 32 2HB GLN 32 1.009 2.418 -4.469
207 HG2 GLN 32 1HG GLN 32 -0.096 -0.116 -3.347
208 HG3 GLN 32 2HG GLN 32 -0.780 0.573 -4.818
209 HE21 GLN 32 1HE2 GLN 32 0.062 -0.161 -6.620
210 HE22 GLN 32 2HE2 GLN 32 1.665 -0.772 -6.827
211 H ARG 33 H ARG 33 0.707 4.075 -1.179
212 HA ARG 33 HA ARG 33 2.384 5.903 -2.437
213 HB2 ARG 33 1HB ARG 33 1.242 5.891 0.358
214 HB3 ARG 33 2HB ARG 33 2.099 7.264 -0.329
215 HG2 ARG 33 1HG ARG 33 0.420 7.703 -1.872
216 HG3 ARG 33 2HG ARG 33 -0.265 6.083 -1.730
217 HD2 ARG 33 1HD ARG 33 -1.769 7.443 -0.570
218 HD3 ARG 33 2HD ARG 33 -0.779 6.717 0.696
219 HE ARG 33 HE ARG 33 0.151 9.286 -0.228
220 HH11 ARG 33 1HH1 ARG 33 -1.884 7.588 2.029
221 HH12 ARG 33 2HH1 ARG 33 -1.911 8.883 3.180
222 HH21 ARG 33 1HH2 ARG 33 0.125 10.998 1.279
223 HH22 ARG 33 2HH2 ARG 33 -0.768 10.822 2.752
224 H VAL 34 H VAL 34 3.042 3.617 0.108
225 HA VAL 34 HA VAL 34 5.506 4.779 0.962
226 HB VAL 34 HB VAL 34 5.876 2.735 2.194
227 HG11 VAL 34 1HG1 VAL 34 2.918 3.235 2.341
228 HG12 VAL 34 2HG1 VAL 34 4.034 2.825 3.646
229 HG13 VAL 34 3HG1 VAL 34 4.097 4.422 2.899
230 HG21 VAL 34 3HG2 VAL 34 5.327 0.817 1.192
231 HG22 VAL 34 1HG2 VAL 34 3.682 1.114 1.755
232 HG23 VAL 34 2HG2 VAL 34 4.163 1.612 0.133
233 H HIS 35 H HIS 35 4.671 3.350 -1.890
234 HA HIS 35 HA HIS 35 7.396 2.322 -2.340
235 HB2 HIS 35 1HB HIS 35 4.841 1.585 -3.783
236 HB3 HIS 35 2HB HIS 35 6.440 0.940 -4.141
237 HD1 HIS 35 HD1 HIS 35 7.401 0.301 -1.296
238 HD2 HIS 35 HD2 HIS 35 3.605 -0.596 -2.728
239 HE1 HIS 35 HE1 HIS 35 6.566 -1.584 0.145
240 H THR 36 H THR 36 4.862 4.425 -3.494
241 HA THR 36 HA THR 36 6.083 5.078 -5.985
242 HB THR 36 HB THR 36 3.637 5.394 -5.426
243 HG1 THR 36 HG1 THR 36 5.001 7.701 -6.403
244 HG21 THR 36 3HG2 THR 36 2.928 7.340 -4.249
245 HG22 THR 36 1HG2 THR 36 4.575 7.959 -4.148
246 HG23 THR 36 2HG2 THR 36 4.112 6.530 -3.224
247 H GLY 37 H GLY 37 6.598 6.077 -2.737
248 HA2 GLY 37 1HA GLY 37 7.859 8.591 -3.467
249 HA3 GLY 37 2HA GLY 37 7.705 7.931 -1.845
250 H GLU 38 H GLU 38 9.111 6.459 -4.751
251 HA GLU 38 HA GLU 38 11.593 6.058 -3.234
252 HB2 GLU 38 1HB GLU 38 10.183 4.179 -4.458
253 HB3 GLU 38 2HB GLU 38 11.096 4.726 -5.857
254 HG2 GLU 38 1HG GLU 38 13.133 4.081 -4.936
255 HG3 GLU 38 2HG GLU 38 12.474 4.000 -3.303
256 H LYS 39 H LYS 39 13.582 5.920 -4.783
257 HA LYS 39 HA LYS 39 15.095 7.072 -6.030
258 HB2 LYS 39 1HB LYS 39 12.570 7.527 -7.598
259 HB3 LYS 39 2HB LYS 39 14.096 8.233 -8.112
260 HG2 LYS 39 1HG LYS 39 13.793 5.293 -7.595
261 HG3 LYS 39 2HG LYS 39 13.427 6.022 -9.160
262 HD2 LYS 39 1HD LYS 39 15.801 7.063 -8.928
263 HD3 LYS 39 2HD LYS 39 16.055 5.772 -7.751
264 HE2 LYS 39 1HE LYS 39 16.776 4.752 -9.677
265 HE3 LYS 39 2HE LYS 39 15.082 4.262 -9.657
266 HZ1 LYS 39 3HZ LYS 39 15.430 6.757 -10.983
267 HZ2 LYS 39 1HZ LYS 39 14.717 5.331 -11.550
268 HZ3 LYS 39 2HZ LYS 39 16.387 5.556 -11.692
269 HA PRO 40 HA PRO 40 13.616 11.049 -3.939
270 HB2 PRO 40 1HB PRO 40 15.292 10.941 -1.806
271 HB3 PRO 40 2HB PRO 40 13.677 10.222 -1.796
272 HG2 PRO 40 1HG PRO 40 16.331 8.910 -2.238
273 HG3 PRO 40 2HG PRO 40 14.955 8.353 -1.268
274 HD2 PRO 40 1HD PRO 40 15.470 7.399 -3.749
275 HD3 PRO 40 2HD PRO 40 13.821 7.551 -3.107
276 H SER 41 H SER 41 16.355 9.691 -5.310
277 HA SER 41 HA SER 41 17.893 12.188 -5.088
278 HB2 SER 41 1HB SER 41 18.688 9.339 -5.619
279 HB3 SER 41 2HB SER 41 19.740 10.665 -6.114
280 HG SER 41 HG SER 41 20.098 9.763 -3.947
281 H GLY 42 H GLY 42 18.782 13.149 -6.957
282 HA2 GLY 42 1HA GLY 42 18.851 12.467 -9.532
283 HA3 GLY 42 2HA GLY 42 17.130 12.760 -9.324
284 HA PRO 43 HA PRO 43 19.689 16.733 -10.080
285 HB2 PRO 43 1HB PRO 43 19.275 17.030 -12.746
286 HB3 PRO 43 2HB PRO 43 20.668 16.169 -12.081
287 HG2 PRO 43 1HG PRO 43 18.107 15.069 -13.173
288 HG3 PRO 43 2HG PRO 43 19.767 14.502 -13.429
289 HD2 PRO 43 1HD PRO 43 18.077 13.319 -11.675
290 HD3 PRO 43 2HD PRO 43 19.831 13.389 -11.411
291 H SER 44 H SER 44 18.745 18.740 -11.296
292 HA SER 44 HA SER 44 16.507 19.651 -10.163
293 HB2 SER 44 1HB SER 44 18.005 20.883 -11.803
294 HB3 SER 44 2HB SER 44 17.023 20.186 -13.092
295 HG SER 44 HG SER 44 15.195 21.189 -12.069
296 H SER 45 H SER 45 14.332 19.465 -10.303
297 HA SER 45 HA SER 45 13.082 17.194 -11.095
298 HB2 SER 45 1HB SER 45 12.017 20.014 -10.973
299 HB3 SER 45 2HB SER 45 10.975 18.633 -11.313
300 HG SER 45 HG SER 45 11.433 17.803 -9.313
301 H GLY 46 H GLY 46 12.928 16.192 -12.982
302 HA2 GLY 46 1HA GLY 46 13.671 17.168 -15.449
303 HA3 GLY 46 2HA GLY 46 12.564 15.822 -15.221
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -25.338 -13.567 -20.797
2 HA2 GLY 1 1HA GLY 1 -24.319 -14.684 -18.822
3 HA3 GLY 1 2HA GLY 1 -23.153 -13.684 -19.675
4 H SER 2 H SER 2 -23.445 -14.502 -16.797
5 HA SER 2 HA SER 2 -23.459 -11.795 -15.630
6 HB2 SER 2 1HB SER 2 -24.277 -12.690 -13.575
7 HB3 SER 2 2HB SER 2 -25.280 -13.384 -14.848
8 HG SER 2 HG SER 2 -24.489 -14.900 -13.234
9 H SER 3 H SER 3 -22.169 -11.833 -13.455
10 HA SER 3 HA SER 3 -19.505 -12.823 -14.132
11 HB2 SER 3 1HB SER 3 -19.501 -10.510 -13.580
12 HB3 SER 3 2HB SER 3 -20.501 -10.774 -12.151
13 HG SER 3 HG SER 3 -18.090 -10.497 -11.919
14 H GLY 4 H GLY 4 -18.192 -13.933 -12.600
15 HA2 GLY 4 1HA GLY 4 -19.141 -14.830 -10.090
16 HA3 GLY 4 2HA GLY 4 -19.432 -16.066 -11.305
17 H SER 5 H SER 5 -16.983 -14.241 -9.591
18 HA SER 5 HA SER 5 -14.831 -15.798 -10.770
19 HB2 SER 5 1HB SER 5 -14.884 -13.548 -8.756
20 HB3 SER 5 2HB SER 5 -13.405 -14.404 -9.191
21 HG SER 5 HG SER 5 -13.588 -13.661 -11.264
22 H SER 6 H SER 6 -13.334 -17.024 -9.487
23 HA SER 6 HA SER 6 -14.081 -17.774 -6.798
24 HB2 SER 6 1HB SER 6 -15.558 -19.266 -7.947
25 HB3 SER 6 2HB SER 6 -14.304 -19.722 -9.099
26 HG SER 6 HG SER 6 -13.157 -20.622 -7.278
27 H GLY 7 H GLY 7 -12.402 -18.684 -5.651
28 HA2 GLY 7 1HA GLY 7 -10.298 -19.983 -5.736
29 HA3 GLY 7 2HA GLY 7 -9.872 -19.019 -7.143
30 H MET 8 H MET 8 -11.130 -18.214 -3.905
31 HA MET 8 HA MET 8 -10.411 -16.748 -2.323
32 HB2 MET 8 1HB MET 8 -7.743 -17.401 -3.581
33 HB3 MET 8 2HB MET 8 -7.925 -16.449 -2.114
34 HG2 MET 8 1HG MET 8 -9.316 -18.559 -1.347
35 HG3 MET 8 2HG MET 8 -8.310 -19.355 -2.555
36 HE1 MET 8 3HE MET 8 -5.374 -19.820 -1.894
37 HE2 MET 8 1HE MET 8 -5.813 -20.612 -0.380
38 HE3 MET 8 2HE MET 8 -6.892 -20.711 -1.772
39 H GLY 9 H GLY 9 -11.477 -15.611 -4.619
40 HA2 GLY 9 1HA GLY 9 -9.725 -13.405 -5.381
41 HA3 GLY 9 2HA GLY 9 -11.305 -13.764 -6.063
42 H GLU 10 H GLU 10 -13.038 -12.661 -5.353
43 HA GLU 10 HA GLU 10 -14.271 -11.093 -4.261
44 HB2 GLU 10 1HB GLU 10 -13.797 -12.744 -2.371
45 HB3 GLU 10 2HB GLU 10 -12.552 -11.622 -1.843
46 HG2 GLU 10 1HG GLU 10 -14.402 -9.861 -1.820
47 HG3 GLU 10 2HG GLU 10 -15.518 -11.222 -1.921
48 H LYS 11 H LYS 11 -11.926 -10.264 -5.696
49 HA LYS 11 HA LYS 11 -10.662 -8.411 -6.073
50 HB2 LYS 11 1HB LYS 11 -12.481 -7.134 -4.023
51 HB3 LYS 11 2HB LYS 11 -11.486 -6.288 -5.201
52 HG2 LYS 11 1HG LYS 11 -13.545 -8.246 -6.118
53 HG3 LYS 11 2HG LYS 11 -14.017 -6.612 -5.646
54 HD2 LYS 11 1HD LYS 11 -12.034 -5.939 -7.244
55 HD3 LYS 11 2HD LYS 11 -12.354 -7.527 -7.945
56 HE2 LYS 11 1HE LYS 11 -14.849 -6.662 -7.870
57 HE3 LYS 11 2HE LYS 11 -14.058 -5.086 -7.889
58 HZ1 LYS 11 3HZ LYS 11 -14.477 -5.678 -10.121
59 HZ2 LYS 11 1HZ LYS 11 -13.853 -7.238 -9.917
60 HZ3 LYS 11 2HZ LYS 11 -12.816 -5.902 -9.887
61 H CYS 12 H CYS 12 -9.422 -10.144 -4.442
62 HA CYS 12 HA CYS 12 -8.560 -8.907 -1.995
63 HB2 CYS 12 1HB CYS 12 -8.709 -11.428 -2.511
64 HB3 CYS 12 2HB CYS 12 -7.180 -11.211 -3.355
65 HG CYS 12 HG CYS 12 -6.998 -9.874 -0.348
66 H TYR 13 H TYR 13 -7.737 -6.900 -2.723
67 HA TYR 13 HA TYR 13 -5.691 -6.666 -4.665
68 HB2 TYR 13 1HB TYR 13 -6.876 -4.879 -2.593
69 HB3 TYR 13 2HB TYR 13 -5.327 -4.420 -3.292
70 HD1 TYR 13 HD1 TYR 13 -8.311 -6.029 -4.851
71 HD2 TYR 13 HD2 TYR 13 -5.743 -2.640 -4.720
72 HE1 TYR 13 HE1 TYR 13 -9.477 -5.078 -6.797
73 HE2 TYR 13 HE2 TYR 13 -6.902 -1.679 -6.665
74 HH TYR 13 HH TYR 13 -9.226 -1.907 -7.720
75 H LYS 14 H LYS 14 -3.672 -7.350 -4.511
76 HA LYS 14 HA LYS 14 -2.351 -7.276 -1.879
77 HB2 LYS 14 1HB LYS 14 -2.713 -9.576 -2.274
78 HB3 LYS 14 2HB LYS 14 -2.300 -9.433 -3.978
79 HG2 LYS 14 1HG LYS 14 0.032 -9.012 -3.377
80 HG3 LYS 14 2HG LYS 14 -0.385 -9.167 -1.669
81 HD2 LYS 14 1HD LYS 14 -1.245 -11.483 -2.230
82 HD3 LYS 14 2HD LYS 14 -0.466 -11.290 -3.803
83 HE2 LYS 14 1HE LYS 14 1.042 -12.474 -2.380
84 HE3 LYS 14 2HE LYS 14 1.676 -10.844 -2.599
85 HZ1 LYS 14 3HZ LYS 14 0.017 -10.809 -0.361
86 HZ2 LYS 14 1HZ LYS 14 1.697 -10.619 -0.412
87 HZ3 LYS 14 2HZ LYS 14 1.026 -12.157 -0.204
88 H CYS 15 H CYS 15 -0.343 -6.412 -1.806
89 HA CYS 15 HA CYS 15 0.610 -5.080 -4.200
90 HB2 CYS 15 1HB CYS 15 0.655 -3.719 -2.259
91 HB3 CYS 15 2HB CYS 15 1.422 -4.980 -1.299
92 H ASP 16 H ASP 16 2.053 -5.943 -5.523
93 HA ASP 16 HA ASP 16 3.469 -8.347 -4.809
94 HB2 ASP 16 1HB ASP 16 3.857 -6.722 -7.321
95 HB3 ASP 16 2HB ASP 16 4.152 -8.442 -7.085
96 H VAL 17 H VAL 17 4.183 -4.946 -5.075
97 HA VAL 17 HA VAL 17 6.916 -4.894 -5.338
98 HB VAL 17 HB VAL 17 5.393 -3.134 -3.416
99 HG11 VAL 17 1HG1 VAL 17 8.012 -2.911 -4.855
100 HG12 VAL 17 2HG1 VAL 17 7.138 -1.471 -4.329
101 HG13 VAL 17 3HG1 VAL 17 7.658 -2.671 -3.145
102 HG21 VAL 17 3HG2 VAL 17 5.158 -1.616 -5.413
103 HG22 VAL 17 1HG2 VAL 17 5.639 -2.987 -6.413
104 HG23 VAL 17 2HG2 VAL 17 4.165 -3.073 -5.449
105 H CYS 18 H CYS 18 5.113 -5.100 -2.268
106 HA CYS 18 HA CYS 18 7.558 -6.162 -1.012
107 HB2 CYS 18 1HB CYS 18 6.713 -5.307 1.115
108 HB3 CYS 18 2HB CYS 18 6.820 -4.009 -0.070
109 H GLY 19 H GLY 19 4.010 -6.405 -1.024
110 HA2 GLY 19 1HA GLY 19 3.235 -8.784 -1.322
111 HA3 GLY 19 2HA GLY 19 4.296 -9.150 0.030
112 H LYS 20 H LYS 20 2.286 -6.278 -0.223
113 HA LYS 20 HA LYS 20 1.059 -6.896 2.316
114 HB2 LYS 20 1HB LYS 20 1.794 -4.568 1.284
115 HB3 LYS 20 2HB LYS 20 0.161 -4.600 0.631
116 HG2 LYS 20 1HG LYS 20 -0.032 -3.425 2.633
117 HG3 LYS 20 2HG LYS 20 -0.602 -5.049 3.024
118 HD2 LYS 20 1HD LYS 20 1.309 -5.565 4.236
119 HD3 LYS 20 2HD LYS 20 2.272 -4.321 3.436
120 HE2 LYS 20 1HE LYS 20 1.480 -2.651 4.781
121 HE3 LYS 20 2HE LYS 20 -0.069 -3.451 5.046
122 HZ1 LYS 20 3HZ LYS 20 1.113 -3.536 7.073
123 HZ2 LYS 20 1HZ LYS 20 2.531 -4.077 6.325
124 HZ3 LYS 20 2HZ LYS 20 1.186 -5.098 6.427
125 H GLU 21 H GLU 21 -1.294 -6.769 2.628
126 HA GLU 21 HA GLU 21 -2.884 -7.509 0.287
127 HB2 GLU 21 1HB GLU 21 -2.301 -9.233 2.635
128 HB3 GLU 21 2HB GLU 21 -3.949 -9.247 2.022
129 HG2 GLU 21 1HG GLU 21 -2.910 -9.692 -0.264
130 HG3 GLU 21 2HG GLU 21 -1.427 -10.049 0.619
131 H PHE 22 H PHE 22 -4.735 -6.424 0.249
132 HA PHE 22 HA PHE 22 -5.875 -5.487 2.796
133 HB2 PHE 22 1HB PHE 22 -5.736 -3.923 0.210
134 HB3 PHE 22 2HB PHE 22 -6.534 -3.391 1.687
135 HD1 PHE 22 HD1 PHE 22 -3.280 -4.124 0.131
136 HD2 PHE 22 HD2 PHE 22 -5.300 -2.467 3.492
137 HE1 PHE 22 HE1 PHE 22 -1.169 -3.120 0.901
138 HE2 PHE 22 HE2 PHE 22 -3.193 -1.460 4.266
139 HZ PHE 22 HZ PHE 22 -1.124 -1.785 2.970
140 H SER 23 H SER 23 -8.189 -5.018 2.706
141 HA SER 23 HA SER 23 -9.548 -6.858 0.862
142 HB2 SER 23 1HB SER 23 -9.826 -7.308 3.280
143 HB3 SER 23 2HB SER 23 -10.534 -5.705 3.483
144 HG SER 23 HG SER 23 -11.722 -7.971 2.709
145 H GLN 24 H GLN 24 -8.732 -3.915 0.530
146 HA GLN 24 HA GLN 24 -11.220 -3.109 -0.734
147 HB2 GLN 24 1HB GLN 24 -10.021 -1.728 1.613
148 HB3 GLN 24 2HB GLN 24 -10.678 -0.724 0.328
149 HG2 GLN 24 1HG GLN 24 -12.156 -2.826 1.894
150 HG3 GLN 24 2HG GLN 24 -12.335 -1.078 2.042
151 HE21 GLN 24 1HE2 GLN 24 -14.240 -3.245 1.311
152 HE22 GLN 24 2HE2 GLN 24 -14.928 -2.745 -0.192
153 H SER 25 H SER 25 -10.746 -2.451 -2.715
154 HA SER 25 HA SER 25 -8.260 -2.252 -3.828
155 HB2 SER 25 1HB SER 25 -9.293 -1.012 -5.670
156 HB3 SER 25 2HB SER 25 -10.358 -2.310 -5.130
157 HG SER 25 HG SER 25 -11.459 -0.688 -3.866
158 H SER 26 H SER 26 -10.053 0.247 -2.134
159 HA SER 26 HA SER 26 -8.296 2.385 -2.812
160 HB2 SER 26 1HB SER 26 -10.243 2.137 -0.505
161 HB3 SER 26 2HB SER 26 -9.474 3.630 -1.042
162 HG SER 26 HG SER 26 -11.267 3.724 -2.183
163 H HIS 27 H HIS 27 -8.535 0.152 -0.090
164 HA HIS 27 HA HIS 27 -6.734 1.298 1.666
165 HB2 HIS 27 1HB HIS 27 -7.512 -1.543 1.103
166 HB3 HIS 27 2HB HIS 27 -6.232 -1.198 2.263
167 HD1 HIS 27 HD1 HIS 27 -7.605 -2.018 4.266
168 HD2 HIS 27 HD2 HIS 27 -9.408 1.075 2.158
169 HE1 HIS 27 HE1 HIS 27 -9.502 -1.231 5.718
170 H LEU 28 H LEU 28 -6.072 -0.931 -1.018
171 HA LEU 28 HA LEU 28 -3.304 -1.146 -0.621
172 HB2 LEU 28 1HB LEU 28 -4.474 -2.683 -2.050
173 HB3 LEU 28 2HB LEU 28 -4.961 -1.375 -3.127
174 HG LEU 28 HG LEU 28 -2.474 -1.058 -3.597
175 HD11 LEU 28 1HD1 LEU 28 -2.242 -3.881 -2.609
176 HD12 LEU 28 2HD1 LEU 28 -1.854 -2.501 -1.582
177 HD13 LEU 28 3HD1 LEU 28 -0.962 -2.763 -3.081
178 HD21 LEU 28 3HD2 LEU 28 -3.928 -3.560 -4.440
179 HD22 LEU 28 1HD2 LEU 28 -2.454 -2.963 -5.203
180 HD23 LEU 28 2HD2 LEU 28 -3.928 -1.995 -5.253
181 H GLN 29 H GLN 29 -5.143 0.997 -2.790
182 HA GLN 29 HA GLN 29 -3.101 2.357 -4.004
183 HB2 GLN 29 1HB GLN 29 -5.681 3.560 -2.986
184 HB3 GLN 29 2HB GLN 29 -4.643 4.254 -4.225
185 HG2 GLN 29 1HG GLN 29 -5.721 1.503 -4.600
186 HG3 GLN 29 2HG GLN 29 -6.771 2.892 -4.872
187 HE21 GLN 29 1HE2 GLN 29 -5.450 0.806 -6.639
188 HE22 GLN 29 2HE2 GLN 29 -4.722 1.734 -7.902
189 H THR 30 H THR 30 -4.498 3.001 -0.812
190 HA THR 30 HA THR 30 -2.952 5.296 -0.247
191 HB THR 30 HB THR 30 -4.175 3.340 1.710
192 HG1 THR 30 HG1 THR 30 -5.192 5.674 0.436
193 HG21 THR 30 3HG2 THR 30 -2.399 5.339 2.265
194 HG22 THR 30 1HG2 THR 30 -3.612 4.728 3.389
195 HG23 THR 30 2HG2 THR 30 -3.943 6.173 2.434
196 H HIS 31 H HIS 31 -2.463 1.859 0.442
197 HA HIS 31 HA HIS 31 -0.121 2.180 1.995
198 HB2 HIS 31 1HB HIS 31 -1.068 0.095 2.292
199 HB3 HIS 31 2HB HIS 31 -1.435 -0.100 0.581
200 HD1 HIS 31 HD1 HIS 31 1.410 -0.406 3.028
201 HD2 HIS 31 HD2 HIS 31 0.502 -1.391 -0.904
202 HE1 HIS 31 HE1 HIS 31 3.280 -1.902 2.262
203 H GLN 32 H GLN 32 -0.682 1.764 -1.456
204 HA GLN 32 HA GLN 32 1.871 1.213 -2.346
205 HB2 GLN 32 1HB GLN 32 -0.480 2.613 -3.525
206 HB3 GLN 32 2HB GLN 32 1.060 2.743 -4.364
207 HG2 GLN 32 1HG GLN 32 0.015 0.069 -3.543
208 HG3 GLN 32 2HG GLN 32 -0.589 0.859 -4.999
209 HE21 GLN 32 1HE2 GLN 32 0.485 -1.377 -5.585
210 HE22 GLN 32 2HE2 GLN 32 2.100 -1.244 -6.182
211 H ARG 33 H ARG 33 0.748 4.025 -0.798
212 HA ARG 33 HA ARG 33 2.339 6.027 -1.899
213 HB2 ARG 33 1HB ARG 33 1.271 5.609 0.886
214 HB3 ARG 33 2HB ARG 33 2.202 7.036 0.451
215 HG2 ARG 33 1HG ARG 33 0.549 7.613 -1.242
216 HG3 ARG 33 2HG ARG 33 -0.379 6.169 -0.833
217 HD2 ARG 33 1HD ARG 33 -1.420 7.970 0.294
218 HD3 ARG 33 2HD ARG 33 -0.521 7.072 1.517
219 HE ARG 33 HE ARG 33 0.896 9.305 0.353
220 HH11 ARG 33 1HH1 ARG 33 -1.198 8.203 2.907
221 HH12 ARG 33 2HH1 ARG 33 -0.782 9.496 3.983
222 HH21 ARG 33 1HH2 ARG 33 1.452 11.012 1.760
223 HH22 ARG 33 2HH2 ARG 33 0.724 11.094 3.329
224 H VAL 34 H VAL 34 3.145 3.438 0.290
225 HA VAL 34 HA VAL 34 5.646 4.501 1.157
226 HB VAL 34 HB VAL 34 6.063 2.393 2.162
227 HG11 VAL 34 1HG1 VAL 34 3.067 2.677 2.229
228 HG12 VAL 34 2HG1 VAL 34 4.127 2.061 3.498
229 HG13 VAL 34 3HG1 VAL 34 4.165 3.771 3.069
230 HG21 VAL 34 3HG2 VAL 34 3.838 1.200 0.514
231 HG22 VAL 34 1HG2 VAL 34 5.551 1.053 0.123
232 HG23 VAL 34 2HG2 VAL 34 4.925 0.354 1.616
233 H HIS 35 H HIS 35 4.627 3.293 -1.789
234 HA HIS 35 HA HIS 35 7.381 2.563 -2.546
235 HB2 HIS 35 1HB HIS 35 4.870 1.675 -3.970
236 HB3 HIS 35 2HB HIS 35 6.509 1.073 -4.203
237 HD1 HIS 35 HD1 HIS 35 7.482 0.104 -1.676
238 HD2 HIS 35 HD2 HIS 35 3.430 -0.110 -2.566
239 HE1 HIS 35 HE1 HIS 35 6.554 -1.674 -0.159
240 H THR 36 H THR 36 4.586 4.500 -3.253
241 HA THR 36 HA THR 36 5.179 5.345 -5.847
242 HB THR 36 HB THR 36 3.794 7.310 -5.386
243 HG1 THR 36 HG1 THR 36 3.951 8.057 -3.411
244 HG21 THR 36 3HG2 THR 36 2.336 5.241 -3.858
245 HG22 THR 36 1HG2 THR 36 2.944 4.758 -5.440
246 HG23 THR 36 2HG2 THR 36 1.854 6.136 -5.298
247 H GLY 37 H GLY 37 6.333 7.069 -6.687
248 HA2 GLY 37 1HA GLY 37 8.064 8.568 -6.834
249 HA3 GLY 37 2HA GLY 37 7.590 9.095 -5.226
250 H GLU 38 H GLU 38 10.262 8.929 -6.291
251 HA GLU 38 HA GLU 38 11.415 6.715 -4.747
252 HB2 GLU 38 1HB GLU 38 13.540 7.356 -5.946
253 HB3 GLU 38 2HB GLU 38 12.250 6.747 -6.974
254 HG2 GLU 38 1HG GLU 38 11.755 8.893 -7.802
255 HG3 GLU 38 2HG GLU 38 12.717 9.680 -6.552
256 H LYS 39 H LYS 39 12.055 7.151 -2.754
257 HA LYS 39 HA LYS 39 12.289 9.789 -1.734
258 HB2 LYS 39 1HB LYS 39 11.734 8.389 -0.025
259 HB3 LYS 39 2HB LYS 39 12.644 7.040 -0.692
260 HG2 LYS 39 1HG LYS 39 13.622 7.732 1.394
261 HG3 LYS 39 2HG LYS 39 14.730 8.098 0.070
262 HD2 LYS 39 1HD LYS 39 13.720 10.438 0.089
263 HD3 LYS 39 2HD LYS 39 12.998 9.993 1.637
264 HE2 LYS 39 1HE LYS 39 15.290 9.431 2.454
265 HE3 LYS 39 2HE LYS 39 15.932 10.083 0.948
266 HZ1 LYS 39 3HZ LYS 39 16.072 11.845 2.428
267 HZ2 LYS 39 1HZ LYS 39 14.576 11.513 3.144
268 HZ3 LYS 39 2HZ LYS 39 14.640 12.177 1.590
269 HA PRO 40 HA PRO 40 17.035 8.915 -1.616
270 HB2 PRO 40 1HB PRO 40 17.932 6.694 -2.895
271 HB3 PRO 40 2HB PRO 40 17.443 6.693 -1.197
272 HG2 PRO 40 1HG PRO 40 15.904 5.819 -3.611
273 HG3 PRO 40 2HG PRO 40 16.035 5.038 -2.025
274 HD2 PRO 40 1HD PRO 40 13.894 6.533 -2.739
275 HD3 PRO 40 2HD PRO 40 14.478 6.439 -1.065
276 H SER 41 H SER 41 17.783 10.430 -2.953
277 HA SER 41 HA SER 41 16.998 10.868 -5.575
278 HB2 SER 41 1HB SER 41 18.869 12.403 -5.743
279 HB3 SER 41 2HB SER 41 18.175 12.523 -4.126
280 HG SER 41 HG SER 41 20.216 10.676 -4.445
281 H GLY 42 H GLY 42 18.279 10.721 -7.566
282 HA2 GLY 42 1HA GLY 42 19.519 9.564 -9.117
283 HA3 GLY 42 2HA GLY 42 20.497 8.966 -7.786
284 HA PRO 43 HA PRO 43 16.775 5.914 -8.513
285 HB2 PRO 43 1HB PRO 43 15.725 6.016 -11.014
286 HB3 PRO 43 2HB PRO 43 15.085 6.962 -9.664
287 HG2 PRO 43 1HG PRO 43 16.931 7.809 -11.863
288 HG3 PRO 43 2HG PRO 43 15.543 8.670 -11.175
289 HD2 PRO 43 1HD PRO 43 18.099 9.248 -10.494
290 HD3 PRO 43 2HD PRO 43 16.747 9.415 -9.356
291 H SER 44 H SER 44 19.549 6.612 -10.152
292 HA SER 44 HA SER 44 19.611 4.313 -11.901
293 HB2 SER 44 1HB SER 44 20.795 6.342 -12.567
294 HB3 SER 44 2HB SER 44 21.784 6.268 -11.109
295 HG SER 44 HG SER 44 22.659 4.316 -11.878
296 H SER 45 H SER 45 21.538 5.338 -9.077
297 HA SER 45 HA SER 45 21.537 2.639 -8.043
298 HB2 SER 45 1HB SER 45 24.007 3.914 -9.193
299 HB3 SER 45 2HB SER 45 24.127 2.739 -7.883
300 HG SER 45 HG SER 45 24.029 2.152 -10.363
301 H GLY 46 H GLY 46 22.062 2.526 -5.860
302 HA2 GLY 46 1HA GLY 46 22.679 5.103 -4.556
303 HA3 GLY 46 2HA GLY 46 21.387 4.068 -3.965
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -28.533 -17.465 -16.786
2 HA2 GLY 1 1HA GLY 1 -26.894 -16.004 -15.082
3 HA3 GLY 1 2HA GLY 1 -28.459 -16.666 -14.636
4 H SER 2 H SER 2 -25.111 -16.826 -14.160
5 HA SER 2 HA SER 2 -24.406 -19.324 -13.490
6 HB2 SER 2 1HB SER 2 -22.872 -17.523 -13.091
7 HB3 SER 2 2HB SER 2 -23.932 -16.813 -11.874
8 HG SER 2 HG SER 2 -23.594 -18.814 -10.672
9 H SER 3 H SER 3 -25.616 -20.864 -12.602
10 HA SER 3 HA SER 3 -27.285 -20.202 -10.277
11 HB2 SER 3 1HB SER 3 -27.389 -22.492 -12.246
12 HB3 SER 3 2HB SER 3 -28.355 -22.448 -10.771
13 HG SER 3 HG SER 3 -29.392 -20.625 -11.527
14 H GLY 4 H GLY 4 -24.560 -20.391 -9.805
15 HA2 GLY 4 1HA GLY 4 -24.518 -22.691 -8.000
16 HA3 GLY 4 2HA GLY 4 -23.219 -22.574 -9.177
17 H SER 5 H SER 5 -22.967 -19.726 -9.117
18 HA SER 5 HA SER 5 -21.721 -18.151 -8.046
19 HB2 SER 5 1HB SER 5 -23.448 -19.196 -5.812
20 HB3 SER 5 2HB SER 5 -22.270 -17.914 -5.532
21 HG SER 5 HG SER 5 -24.330 -17.835 -7.485
22 H SER 6 H SER 6 -20.334 -20.457 -8.543
23 HA SER 6 HA SER 6 -19.044 -21.533 -6.253
24 HB2 SER 6 1HB SER 6 -18.072 -21.491 -9.121
25 HB3 SER 6 2HB SER 6 -17.495 -22.556 -7.840
26 HG SER 6 HG SER 6 -20.231 -22.551 -8.343
27 H GLY 7 H GLY 7 -18.076 -19.082 -8.642
28 HA2 GLY 7 1HA GLY 7 -15.570 -18.534 -7.395
29 HA3 GLY 7 2HA GLY 7 -16.355 -17.552 -8.623
30 H MET 8 H MET 8 -15.139 -16.050 -6.937
31 HA MET 8 HA MET 8 -17.256 -14.997 -5.202
32 HB2 MET 8 1HB MET 8 -15.643 -16.310 -3.826
33 HB3 MET 8 2HB MET 8 -14.363 -15.228 -4.359
34 HG2 MET 8 1HG MET 8 -15.109 -14.590 -2.166
35 HG3 MET 8 2HG MET 8 -15.550 -13.343 -3.331
36 HE1 MET 8 3HE MET 8 -18.181 -16.728 -2.711
37 HE2 MET 8 1HE MET 8 -16.567 -16.624 -2.007
38 HE3 MET 8 2HE MET 8 -17.984 -16.277 -1.017
39 H GLY 9 H GLY 9 -17.033 -12.726 -4.702
40 HA2 GLY 9 1HA GLY 9 -16.000 -11.248 -6.954
41 HA3 GLY 9 2HA GLY 9 -16.879 -10.587 -5.583
42 H GLU 10 H GLU 10 -15.305 -11.342 -3.467
43 HA GLU 10 HA GLU 10 -13.493 -9.370 -3.154
44 HB2 GLU 10 1HB GLU 10 -14.240 -11.362 -1.576
45 HB3 GLU 10 2HB GLU 10 -12.699 -12.040 -2.084
46 HG2 GLU 10 1HG GLU 10 -11.571 -9.999 -1.297
47 HG3 GLU 10 2HG GLU 10 -13.123 -9.387 -0.728
48 H LYS 11 H LYS 11 -11.498 -8.844 -3.825
49 HA LYS 11 HA LYS 11 -10.128 -10.745 -5.607
50 HB2 LYS 11 1HB LYS 11 -9.045 -8.756 -6.606
51 HB3 LYS 11 2HB LYS 11 -10.798 -8.719 -6.754
52 HG2 LYS 11 1HG LYS 11 -10.563 -7.346 -4.488
53 HG3 LYS 11 2HG LYS 11 -8.984 -6.983 -5.189
54 HD2 LYS 11 1HD LYS 11 -10.224 -5.280 -6.087
55 HD3 LYS 11 2HD LYS 11 -10.430 -6.504 -7.342
56 HE2 LYS 11 1HE LYS 11 -12.605 -6.962 -6.722
57 HE3 LYS 11 2HE LYS 11 -12.368 -6.380 -5.075
58 HZ1 LYS 11 3HZ LYS 11 -13.739 -4.944 -6.631
59 HZ2 LYS 11 1HZ LYS 11 -12.282 -4.549 -7.394
60 HZ3 LYS 11 2HZ LYS 11 -12.512 -4.169 -5.762
61 H CYS 12 H CYS 12 -10.015 -9.826 -2.530
62 HA CYS 12 HA CYS 12 -8.349 -9.365 -0.983
63 HB2 CYS 12 1HB CYS 12 -7.774 -11.921 -2.406
64 HB3 CYS 12 2HB CYS 12 -6.580 -11.334 -1.255
65 HG CYS 12 HG CYS 12 -7.741 -12.339 0.791
66 H TYR 13 H TYR 13 -7.893 -7.489 -2.764
67 HA TYR 13 HA TYR 13 -5.804 -7.279 -4.403
68 HB2 TYR 13 1HB TYR 13 -6.873 -5.427 -2.337
69 HB3 TYR 13 2HB TYR 13 -5.332 -5.003 -3.073
70 HD1 TYR 13 HD2 TYR 13 -5.706 -5.910 -5.842
71 HD2 TYR 13 HD1 TYR 13 -8.415 -3.928 -3.227
72 HE1 TYR 13 HE2 TYR 13 -6.887 -4.973 -7.785
73 HE2 TYR 13 HE1 TYR 13 -9.604 -2.987 -5.163
74 HH TYR 13 HH TYR 13 -9.671 -4.006 -7.954
75 H LYS 14 H LYS 14 -3.606 -7.250 -4.381
76 HA LYS 14 HA LYS 14 -2.249 -7.578 -1.796
77 HB2 LYS 14 1HB LYS 14 -2.556 -9.796 -2.880
78 HB3 LYS 14 2HB LYS 14 -1.653 -9.210 -4.271
79 HG2 LYS 14 1HG LYS 14 0.266 -8.778 -2.694
80 HG3 LYS 14 2HG LYS 14 -0.648 -9.674 -1.478
81 HD2 LYS 14 1HD LYS 14 -0.545 -11.670 -2.719
82 HD3 LYS 14 2HD LYS 14 -0.052 -10.826 -4.190
83 HE2 LYS 14 1HE LYS 14 1.698 -10.625 -1.794
84 HE3 LYS 14 2HE LYS 14 1.681 -12.145 -2.686
85 HZ1 LYS 14 3HZ LYS 14 1.926 -10.375 -4.671
86 HZ2 LYS 14 1HZ LYS 14 3.238 -11.127 -3.912
87 HZ3 LYS 14 2HZ LYS 14 2.768 -9.571 -3.443
88 H CYS 15 H CYS 15 -0.276 -6.601 -1.617
89 HA CYS 15 HA CYS 15 0.369 -4.631 -3.623
90 HB2 CYS 15 1HB CYS 15 0.546 -3.934 -1.338
91 HB3 CYS 15 2HB CYS 15 1.581 -5.302 -0.940
92 H ASP 16 H ASP 16 1.297 -5.447 -5.414
93 HA ASP 16 HA ASP 16 3.241 -7.572 -5.289
94 HB2 ASP 16 1HB ASP 16 1.940 -5.994 -7.469
95 HB3 ASP 16 2HB ASP 16 3.431 -6.861 -7.826
96 H VAL 17 H VAL 17 4.129 -5.474 -3.753
97 HA VAL 17 HA VAL 17 6.480 -4.596 -5.282
98 HB VAL 17 HB VAL 17 4.925 -2.867 -3.353
99 HG11 VAL 17 1HG1 VAL 17 6.552 -1.109 -4.050
100 HG12 VAL 17 2HG1 VAL 17 7.265 -2.418 -3.105
101 HG13 VAL 17 3HG1 VAL 17 7.490 -2.367 -4.854
102 HG21 VAL 17 3HG2 VAL 17 5.394 -1.930 -6.090
103 HG22 VAL 17 1HG2 VAL 17 4.341 -3.340 -5.970
104 HG23 VAL 17 2HG2 VAL 17 3.936 -1.860 -5.100
105 H CYS 18 H CYS 18 5.063 -4.932 -2.038
106 HA CYS 18 HA CYS 18 7.736 -5.691 -1.052
107 HB2 CYS 18 1HB CYS 18 7.250 -4.679 1.061
108 HB3 CYS 18 2HB CYS 18 6.874 -3.491 -0.183
109 H GLY 19 H GLY 19 4.257 -6.232 -0.844
110 HA2 GLY 19 1HA GLY 19 3.642 -8.647 -0.822
111 HA3 GLY 19 2HA GLY 19 4.827 -8.821 0.464
112 H LYS 20 H LYS 20 1.776 -7.235 -0.376
113 HA LYS 20 HA LYS 20 0.911 -7.589 2.399
114 HB2 LYS 20 1HB LYS 20 1.766 -5.172 1.726
115 HB3 LYS 20 2HB LYS 20 0.157 -5.048 1.028
116 HG2 LYS 20 1HG LYS 20 -0.888 -5.294 3.110
117 HG3 LYS 20 2HG LYS 20 0.584 -5.900 3.872
118 HD2 LYS 20 1HD LYS 20 1.563 -3.785 3.940
119 HD3 LYS 20 2HD LYS 20 0.484 -3.142 2.700
120 HE2 LYS 20 1HE LYS 20 -1.400 -3.415 4.324
121 HE3 LYS 20 2HE LYS 20 -0.206 -3.836 5.551
122 HZ1 LYS 20 3HZ LYS 20 -0.861 -1.482 5.608
123 HZ2 LYS 20 1HZ LYS 20 -0.245 -1.277 4.046
124 HZ3 LYS 20 2HZ LYS 20 0.794 -1.681 5.318
125 H GLU 21 H GLU 21 -1.498 -7.169 2.602
126 HA GLU 21 HA GLU 21 -2.977 -7.667 0.134
127 HB2 GLU 21 1HB GLU 21 -2.669 -9.578 2.388
128 HB3 GLU 21 2HB GLU 21 -4.272 -9.427 1.682
129 HG2 GLU 21 1HG GLU 21 -3.118 -9.796 -0.567
130 HG3 GLU 21 2HG GLU 21 -1.734 -10.337 0.381
131 H PHE 22 H PHE 22 -4.845 -6.584 0.073
132 HA PHE 22 HA PHE 22 -5.996 -5.633 2.608
133 HB2 PHE 22 1HB PHE 22 -6.145 -3.932 0.148
134 HB3 PHE 22 2HB PHE 22 -6.235 -3.455 1.841
135 HD1 PHE 22 HD1 PHE 22 -3.863 -4.845 -0.666
136 HD2 PHE 22 HD2 PHE 22 -4.385 -2.531 2.868
137 HE1 PHE 22 HE1 PHE 22 -1.479 -4.236 -0.717
138 HE2 PHE 22 HE2 PHE 22 -2.003 -1.916 2.822
139 HZ PHE 22 HZ PHE 22 -0.547 -2.768 1.027
140 H SER 23 H SER 23 -8.285 -4.708 2.166
141 HA SER 23 HA SER 23 -9.689 -6.632 0.433
142 HB2 SER 23 1HB SER 23 -10.543 -5.308 3.011
143 HB3 SER 23 2HB SER 23 -11.656 -6.194 1.968
144 HG SER 23 HG SER 23 -10.592 -7.383 3.761
145 H GLN 24 H GLN 24 -9.536 -3.273 1.478
146 HA GLN 24 HA GLN 24 -11.578 -2.508 -0.459
147 HB2 GLN 24 1HB GLN 24 -11.206 -1.580 1.995
148 HB3 GLN 24 2HB GLN 24 -10.088 -0.502 1.170
149 HG2 GLN 24 1HG GLN 24 -13.052 -0.726 0.881
150 HG3 GLN 24 2HG GLN 24 -12.066 0.697 1.213
151 HE21 GLN 24 1HE2 GLN 24 -13.052 -1.588 -1.250
152 HE22 GLN 24 2HE2 GLN 24 -12.683 -0.581 -2.604
153 H SER 25 H SER 25 -11.074 -1.907 -2.451
154 HA SER 25 HA SER 25 -8.675 -1.953 -3.670
155 HB2 SER 25 1HB SER 25 -9.579 -0.608 -5.429
156 HB3 SER 25 2HB SER 25 -10.928 -1.516 -4.744
157 HG SER 25 HG SER 25 -11.788 0.406 -4.606
158 H SER 26 H SER 26 -9.968 0.746 -1.813
159 HA SER 26 HA SER 26 -7.921 2.596 -2.455
160 HB2 SER 26 1HB SER 26 -8.808 3.950 -0.677
161 HB3 SER 26 2HB SER 26 -10.171 3.176 -1.484
162 HG SER 26 HG SER 26 -9.314 2.938 1.089
163 H HIS 27 H HIS 27 -8.359 0.306 0.207
164 HA HIS 27 HA HIS 27 -6.275 1.013 1.857
165 HB2 HIS 27 1HB HIS 27 -7.425 -1.687 1.175
166 HB3 HIS 27 2HB HIS 27 -6.150 -1.499 2.375
167 HD1 HIS 27 HD1 HIS 27 -7.875 -2.402 4.151
168 HD2 HIS 27 HD2 HIS 27 -8.859 1.249 2.429
169 HE1 HIS 27 HE1 HIS 27 -9.666 -1.426 5.621
170 H LEU 28 H LEU 28 -6.163 -0.934 -1.090
171 HA LEU 28 HA LEU 28 -3.407 -1.603 -0.871
172 HB2 LEU 28 1HB LEU 28 -4.786 -2.992 -2.209
173 HB3 LEU 28 2HB LEU 28 -5.353 -1.623 -3.164
174 HG LEU 28 HG LEU 28 -3.072 -1.405 -4.116
175 HD11 LEU 28 1HD1 LEU 28 -2.593 -3.743 -2.322
176 HD12 LEU 28 2HD1 LEU 28 -1.586 -2.326 -2.614
177 HD13 LEU 28 3HD1 LEU 28 -1.697 -3.595 -3.834
178 HD21 LEU 28 3HD2 LEU 28 -3.292 -3.203 -5.659
179 HD22 LEU 28 1HD2 LEU 28 -4.921 -2.719 -5.187
180 HD23 LEU 28 2HD2 LEU 28 -4.200 -4.172 -4.496
181 H GLN 29 H GLN 29 -5.108 0.679 -3.024
182 HA GLN 29 HA GLN 29 -2.935 1.833 -4.247
183 HB2 GLN 29 1HB GLN 29 -5.620 2.933 -3.474
184 HB3 GLN 29 2HB GLN 29 -4.429 3.956 -4.268
185 HG2 GLN 29 1HG GLN 29 -4.325 2.263 -6.104
186 HG3 GLN 29 2HG GLN 29 -5.683 1.442 -5.337
187 HE21 GLN 29 1HE2 GLN 29 -7.642 2.019 -5.950
188 HE22 GLN 29 2HE2 GLN 29 -8.057 3.474 -6.783
189 H THR 30 H THR 30 -4.471 2.869 -1.210
190 HA THR 30 HA THR 30 -2.858 5.049 -0.638
191 HB THR 30 HB THR 30 -3.962 3.119 1.410
192 HG1 THR 30 HG1 THR 30 -5.176 5.021 -0.236
193 HG21 THR 30 3HG2 THR 30 -2.708 5.781 1.527
194 HG22 THR 30 1HG2 THR 30 -2.826 4.528 2.761
195 HG23 THR 30 2HG2 THR 30 -4.190 5.606 2.466
196 H HIS 31 H HIS 31 -2.403 1.666 0.384
197 HA HIS 31 HA HIS 31 -0.041 1.994 1.808
198 HB2 HIS 31 1HB HIS 31 -1.167 -0.095 1.964
199 HB3 HIS 31 2HB HIS 31 -1.102 -0.343 0.222
200 HD1 HIS 31 HD1 HIS 31 1.118 -0.391 3.272
201 HD2 HIS 31 HD2 HIS 31 1.159 -1.610 -0.700
202 HE1 HIS 31 HE1 HIS 31 3.178 -1.812 3.026
203 H GLN 32 H GLN 32 -0.482 1.276 -1.644
204 HA GLN 32 HA GLN 32 2.091 0.914 -2.468
205 HB2 GLN 32 1HB GLN 32 -0.235 2.285 -3.778
206 HB3 GLN 32 2HB GLN 32 1.322 2.201 -4.593
207 HG2 GLN 32 1HG GLN 32 1.173 -0.330 -4.128
208 HG3 GLN 32 2HG GLN 32 -0.539 -0.017 -3.850
209 HE21 GLN 32 1HE2 GLN 32 1.224 -1.346 -6.019
210 HE22 GLN 32 2HE2 GLN 32 0.533 -0.759 -7.489
211 H ARG 33 H ARG 33 0.720 3.785 -1.175
212 HA ARG 33 HA ARG 33 2.327 5.764 -2.292
213 HB2 ARG 33 1HB ARG 33 1.122 5.544 0.468
214 HB3 ARG 33 2HB ARG 33 1.918 6.994 -0.128
215 HG2 ARG 33 1HG ARG 33 -0.268 5.824 -1.762
216 HG3 ARG 33 2HG ARG 33 -0.691 6.682 -0.279
217 HD2 ARG 33 1HD ARG 33 -0.740 8.390 -1.821
218 HD3 ARG 33 2HD ARG 33 0.914 8.511 -1.221
219 HE ARG 33 HE ARG 33 1.691 7.802 -3.274
220 HH11 ARG 33 1HH1 ARG 33 -1.769 7.452 -3.114
221 HH12 ARG 33 2HH1 ARG 33 -1.947 7.143 -4.809
222 HH21 ARG 33 1HH2 ARG 33 1.469 7.396 -5.508
223 HH22 ARG 33 2HH2 ARG 33 -0.105 7.110 -6.170
224 H VAL 34 H VAL 34 2.941 3.603 0.435
225 HA VAL 34 HA VAL 34 5.286 4.740 1.406
226 HB VAL 34 HB VAL 34 5.825 2.564 2.345
227 HG11 VAL 34 1HG1 VAL 34 4.287 3.185 3.832
228 HG12 VAL 34 2HG1 VAL 34 3.227 3.826 2.576
229 HG13 VAL 34 3HG1 VAL 34 3.169 2.112 2.990
230 HG21 VAL 34 3HG2 VAL 34 4.664 1.557 0.033
231 HG22 VAL 34 1HG2 VAL 34 5.264 0.625 1.404
232 HG23 VAL 34 2HG2 VAL 34 3.562 1.077 1.323
233 H HIS 35 H HIS 35 4.722 3.320 -1.607
234 HA HIS 35 HA HIS 35 7.614 2.958 -2.048
235 HB2 HIS 35 1HB HIS 35 5.470 1.685 -3.736
236 HB3 HIS 35 2HB HIS 35 7.172 1.251 -3.620
237 HD1 HIS 35 HD1 HIS 35 7.794 0.459 -0.973
238 HD2 HIS 35 HD2 HIS 35 3.918 -0.049 -2.382
239 HE1 HIS 35 HE1 HIS 35 6.759 -1.281 0.519
240 H THR 36 H THR 36 6.035 5.427 -2.242
241 HA THR 36 HA THR 36 6.558 6.024 -5.078
242 HB THR 36 HB THR 36 4.665 7.478 -5.207
243 HG1 THR 36 HG1 THR 36 4.008 6.831 -2.517
244 HG21 THR 36 3HG2 THR 36 2.807 5.794 -4.341
245 HG22 THR 36 1HG2 THR 36 4.201 4.727 -4.172
246 HG23 THR 36 2HG2 THR 36 3.809 5.424 -5.744
247 H GLY 37 H GLY 37 8.621 6.829 -4.499
248 HA2 GLY 37 1HA GLY 37 9.115 9.417 -4.353
249 HA3 GLY 37 2HA GLY 37 8.711 9.109 -2.671
250 H GLU 38 H GLU 38 11.224 9.477 -4.709
251 HA GLU 38 HA GLU 38 12.949 7.614 -3.215
252 HB2 GLU 38 1HB GLU 38 13.227 8.803 -5.972
253 HB3 GLU 38 2HB GLU 38 14.565 8.022 -5.142
254 HG2 GLU 38 1HG GLU 38 13.219 5.960 -4.986
255 HG3 GLU 38 2HG GLU 38 11.949 6.753 -5.915
256 H LYS 39 H LYS 39 12.278 9.875 -1.884
257 HA LYS 39 HA LYS 39 14.807 11.368 -1.899
258 HB2 LYS 39 1HB LYS 39 13.600 13.461 -1.463
259 HB3 LYS 39 2HB LYS 39 13.155 12.774 -3.019
260 HG2 LYS 39 1HG LYS 39 11.478 12.097 -0.665
261 HG3 LYS 39 2HG LYS 39 11.352 13.721 -1.345
262 HD2 LYS 39 1HD LYS 39 10.831 12.791 -3.529
263 HD3 LYS 39 2HD LYS 39 11.032 11.154 -2.901
264 HE2 LYS 39 1HE LYS 39 9.106 11.311 -1.571
265 HE3 LYS 39 2HE LYS 39 9.049 13.068 -1.711
266 HZ1 LYS 39 3HZ LYS 39 7.399 12.355 -3.145
267 HZ2 LYS 39 1HZ LYS 39 8.292 11.032 -3.706
268 HZ3 LYS 39 2HZ LYS 39 8.704 12.598 -4.194
269 HA PRO 40 HA PRO 40 13.404 9.770 2.310
270 HB2 PRO 40 1HB PRO 40 15.529 8.136 2.741
271 HB3 PRO 40 2HB PRO 40 14.053 7.599 1.929
272 HG2 PRO 40 1HG PRO 40 16.665 8.451 0.741
273 HG3 PRO 40 2HG PRO 40 15.624 7.087 0.293
274 HD2 PRO 40 1HD PRO 40 15.656 9.411 -1.095
275 HD3 PRO 40 2HD PRO 40 14.195 8.416 -0.932
276 H SER 41 H SER 41 15.721 11.666 0.934
277 HA SER 41 HA SER 41 17.505 11.979 3.160
278 HB2 SER 41 1HB SER 41 17.079 13.700 0.706
279 HB3 SER 41 2HB SER 41 18.387 13.908 1.870
280 HG SER 41 HG SER 41 18.099 12.065 -0.146
281 H GLY 42 H GLY 42 16.021 12.384 4.879
282 HA2 GLY 42 1HA GLY 42 14.173 14.518 4.892
283 HA3 GLY 42 2HA GLY 42 14.827 13.721 6.314
284 HA PRO 43 HA PRO 43 16.690 18.080 5.432
285 HB2 PRO 43 1HB PRO 43 14.900 19.697 6.677
286 HB3 PRO 43 2HB PRO 43 14.804 19.304 4.957
287 HG2 PRO 43 1HG PRO 43 13.298 18.120 7.257
288 HG3 PRO 43 2HG PRO 43 12.704 18.589 5.653
289 HD2 PRO 43 1HD PRO 43 13.256 16.021 6.308
290 HD3 PRO 43 2HD PRO 43 13.473 16.655 4.664
291 H SER 44 H SER 44 17.635 19.451 7.074
292 HA SER 44 HA SER 44 18.023 18.018 9.566
293 HB2 SER 44 1HB SER 44 19.326 20.580 8.617
294 HB3 SER 44 2HB SER 44 19.856 19.565 9.958
295 HG SER 44 HG SER 44 20.301 17.920 8.461
296 H SER 45 H SER 45 17.698 18.889 11.630
297 HA SER 45 HA SER 45 15.336 20.322 12.014
298 HB2 SER 45 1HB SER 45 17.650 19.978 13.938
299 HB3 SER 45 2HB SER 45 16.017 20.477 14.379
300 HG SER 45 HG SER 45 16.186 18.280 14.715
301 H GLY 46 H GLY 46 14.937 22.375 11.540
302 HA2 GLY 46 1HA GLY 46 16.827 24.427 12.398
303 HA3 GLY 46 2HA GLY 46 16.461 24.364 10.681
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -17.342 -14.378 -26.641
2 HA2 GLY 1 1HA GLY 1 -16.052 -16.369 -25.567
3 HA3 GLY 1 2HA GLY 1 -14.664 -15.359 -25.943
4 H SER 2 H SER 2 -17.620 -15.572 -24.045
5 HA SER 2 HA SER 2 -16.612 -13.416 -22.313
6 HB2 SER 2 1HB SER 2 -18.856 -13.038 -23.287
7 HB3 SER 2 2HB SER 2 -19.425 -14.519 -22.518
8 HG SER 2 HG SER 2 -18.441 -13.286 -20.547
9 H SER 3 H SER 3 -15.456 -15.941 -22.092
10 HA SER 3 HA SER 3 -16.356 -16.703 -19.403
11 HB2 SER 3 1HB SER 3 -15.997 -18.478 -21.782
12 HB3 SER 3 2HB SER 3 -15.582 -19.108 -20.188
13 HG SER 3 HG SER 3 -18.077 -18.255 -21.171
14 H GLY 4 H GLY 4 -14.749 -16.496 -18.001
15 HA2 GLY 4 1HA GLY 4 -12.434 -17.512 -17.590
16 HA3 GLY 4 2HA GLY 4 -11.985 -16.594 -19.020
17 H SER 5 H SER 5 -11.896 -16.575 -15.745
18 HA SER 5 HA SER 5 -11.795 -14.952 -14.114
19 HB2 SER 5 1HB SER 5 -10.064 -13.258 -14.621
20 HB3 SER 5 2HB SER 5 -9.570 -14.875 -15.123
21 HG SER 5 HG SER 5 -9.193 -13.185 -16.700
22 H SER 6 H SER 6 -14.195 -14.697 -15.469
23 HA SER 6 HA SER 6 -14.514 -11.772 -15.653
24 HB2 SER 6 1HB SER 6 -15.008 -12.678 -17.803
25 HB3 SER 6 2HB SER 6 -15.965 -13.986 -17.108
26 HG SER 6 HG SER 6 -16.733 -11.348 -16.584
27 H GLY 7 H GLY 7 -16.160 -14.786 -14.722
28 HA2 GLY 7 1HA GLY 7 -17.843 -13.204 -12.888
29 HA3 GLY 7 2HA GLY 7 -18.273 -14.779 -13.538
30 H MET 8 H MET 8 -15.949 -16.204 -13.073
31 HA MET 8 HA MET 8 -16.133 -16.549 -10.193
32 HB2 MET 8 1HB MET 8 -14.922 -18.638 -10.567
33 HB3 MET 8 2HB MET 8 -16.305 -18.517 -11.646
34 HG2 MET 8 1HG MET 8 -15.006 -18.275 -13.514
35 HG3 MET 8 2HG MET 8 -13.652 -17.593 -12.616
36 HE1 MET 8 3HE MET 8 -13.445 -21.351 -14.499
37 HE2 MET 8 1HE MET 8 -14.196 -19.799 -14.874
38 HE3 MET 8 2HE MET 8 -12.452 -19.899 -14.631
39 H GLY 9 H GLY 9 -14.856 -14.182 -10.869
40 HA2 GLY 9 1HA GLY 9 -12.004 -14.760 -10.398
41 HA3 GLY 9 2HA GLY 9 -12.629 -13.269 -11.085
42 H GLU 10 H GLU 10 -11.041 -14.209 -8.547
43 HA GLU 10 HA GLU 10 -12.670 -12.903 -6.502
44 HB2 GLU 10 1HB GLU 10 -10.044 -14.387 -6.322
45 HB3 GLU 10 2HB GLU 10 -10.865 -13.654 -4.951
46 HG2 GLU 10 1HG GLU 10 -12.378 -15.583 -6.624
47 HG3 GLU 10 2HG GLU 10 -11.140 -16.206 -5.535
48 H LYS 11 H LYS 11 -12.035 -11.065 -5.399
49 HA LYS 11 HA LYS 11 -9.868 -9.529 -6.672
50 HB2 LYS 11 1HB LYS 11 -12.302 -8.465 -5.228
51 HB3 LYS 11 2HB LYS 11 -11.077 -7.506 -6.049
52 HG2 LYS 11 1HG LYS 11 -12.739 -9.550 -7.487
53 HG3 LYS 11 2HG LYS 11 -13.263 -7.877 -7.274
54 HD2 LYS 11 1HD LYS 11 -10.837 -7.392 -8.231
55 HD3 LYS 11 2HD LYS 11 -11.070 -8.991 -8.943
56 HE2 LYS 11 1HE LYS 11 -13.023 -8.283 -10.096
57 HE3 LYS 11 2HE LYS 11 -13.086 -6.770 -9.194
58 HZ1 LYS 11 3HZ LYS 11 -11.470 -7.489 -11.495
59 HZ2 LYS 11 1HZ LYS 11 -10.676 -6.587 -10.303
60 HZ3 LYS 11 2HZ LYS 11 -12.080 -5.982 -11.027
61 H CYS 12 H CYS 12 -8.154 -9.991 -5.368
62 HA CYS 12 HA CYS 12 -8.424 -9.211 -2.541
63 HB2 CYS 12 1HB CYS 12 -6.679 -10.913 -2.018
64 HB3 CYS 12 2HB CYS 12 -8.180 -11.612 -2.616
65 HG CYS 12 HG CYS 12 -5.236 -12.275 -3.630
66 H TYR 13 H TYR 13 -7.801 -7.119 -3.676
67 HA TYR 13 HA TYR 13 -5.557 -6.436 -4.946
68 HB2 TYR 13 1HB TYR 13 -7.015 -5.124 -2.704
69 HB3 TYR 13 2HB TYR 13 -5.460 -4.447 -3.175
70 HD1 TYR 13 HD1 TYR 13 -8.302 -5.887 -5.134
71 HD2 TYR 13 HD2 TYR 13 -5.789 -2.530 -4.414
72 HE1 TYR 13 HE1 TYR 13 -9.392 -4.683 -6.981
73 HE2 TYR 13 HE2 TYR 13 -6.874 -1.316 -6.258
74 HH TYR 13 HH TYR 13 -8.614 -1.312 -7.688
75 H LYS 14 H LYS 14 -3.713 -7.594 -4.707
76 HA LYS 14 HA LYS 14 -2.454 -7.598 -2.043
77 HB2 LYS 14 1HB LYS 14 -2.782 -9.850 -2.678
78 HB3 LYS 14 2HB LYS 14 -2.283 -9.541 -4.336
79 HG2 LYS 14 1HG LYS 14 -0.044 -9.551 -3.810
80 HG3 LYS 14 2HG LYS 14 -0.331 -9.133 -2.119
81 HD2 LYS 14 1HD LYS 14 -1.448 -11.426 -1.929
82 HD3 LYS 14 2HD LYS 14 -0.692 -11.787 -3.483
83 HE2 LYS 14 1HE LYS 14 0.765 -10.912 -0.990
84 HE3 LYS 14 2HE LYS 14 0.650 -12.572 -1.572
85 HZ1 LYS 14 3HZ LYS 14 1.704 -11.726 -3.678
86 HZ2 LYS 14 1HZ LYS 14 2.707 -11.752 -2.316
87 HZ3 LYS 14 2HZ LYS 14 2.042 -10.291 -2.849
88 H CYS 15 H CYS 15 -0.508 -6.661 -1.783
89 HA CYS 15 HA CYS 15 0.577 -5.160 -4.014
90 HB2 CYS 15 1HB CYS 15 0.298 -4.205 -1.693
91 HB3 CYS 15 2HB CYS 15 1.605 -5.264 -1.175
92 H ASP 16 H ASP 16 1.793 -6.315 -5.382
93 HA ASP 16 HA ASP 16 3.354 -8.563 -4.620
94 HB2 ASP 16 1HB ASP 16 2.369 -7.926 -6.946
95 HB3 ASP 16 2HB ASP 16 3.854 -6.998 -7.133
96 H VAL 17 H VAL 17 4.014 -5.147 -4.982
97 HA VAL 17 HA VAL 17 6.737 -5.033 -5.193
98 HB VAL 17 HB VAL 17 5.068 -3.302 -3.363
99 HG11 VAL 17 1HG1 VAL 17 7.052 -2.436 -2.812
100 HG12 VAL 17 2HG1 VAL 17 7.882 -3.287 -4.116
101 HG13 VAL 17 3HG1 VAL 17 7.070 -1.755 -4.438
102 HG21 VAL 17 3HG2 VAL 17 5.750 -2.951 -6.282
103 HG22 VAL 17 1HG2 VAL 17 4.165 -3.368 -5.630
104 HG23 VAL 17 2HG2 VAL 17 4.876 -1.793 -5.279
105 H CYS 18 H CYS 18 5.028 -4.960 -2.058
106 HA CYS 18 HA CYS 18 7.465 -5.971 -0.779
107 HB2 CYS 18 1HB CYS 18 6.349 -5.280 1.343
108 HB3 CYS 18 2HB CYS 18 6.603 -3.949 0.218
109 H GLY 19 H GLY 19 3.981 -6.598 -1.006
110 HA2 GLY 19 1HA GLY 19 3.408 -9.001 -1.293
111 HA3 GLY 19 2HA GLY 19 4.509 -9.311 0.042
112 H LYS 20 H LYS 20 2.340 -6.571 -0.009
113 HA LYS 20 HA LYS 20 1.054 -7.584 2.399
114 HB2 LYS 20 1HB LYS 20 1.944 -5.142 1.895
115 HB3 LYS 20 2HB LYS 20 0.348 -4.950 1.183
116 HG2 LYS 20 1HG LYS 20 -0.720 -5.074 3.189
117 HG3 LYS 20 2HG LYS 20 0.516 -6.108 3.909
118 HD2 LYS 20 1HD LYS 20 2.052 -4.120 3.884
119 HD3 LYS 20 2HD LYS 20 0.664 -3.139 3.407
120 HE2 LYS 20 1HE LYS 20 0.655 -2.867 5.694
121 HE3 LYS 20 2HE LYS 20 -0.459 -4.219 5.498
122 HZ1 LYS 20 3HZ LYS 20 2.136 -5.241 5.726
123 HZ2 LYS 20 1HZ LYS 20 0.838 -5.429 6.795
124 HZ3 LYS 20 2HZ LYS 20 1.908 -4.133 6.983
125 H GLU 21 H GLU 21 -1.381 -6.954 2.560
126 HA GLU 21 HA GLU 21 -2.824 -7.360 0.066
127 HB2 GLU 21 1HB GLU 21 -2.606 -9.380 2.234
128 HB3 GLU 21 2HB GLU 21 -4.193 -9.151 1.512
129 HG2 GLU 21 1HG GLU 21 -3.039 -9.463 -0.733
130 HG3 GLU 21 2HG GLU 21 -1.657 -10.049 0.191
131 H PHE 22 H PHE 22 -4.930 -6.616 0.107
132 HA PHE 22 HA PHE 22 -5.996 -5.616 2.639
133 HB2 PHE 22 1HB PHE 22 -5.960 -3.849 0.198
134 HB3 PHE 22 2HB PHE 22 -6.358 -3.408 1.855
135 HD1 PHE 22 HD1 PHE 22 -3.584 -4.427 -0.367
136 HD2 PHE 22 HD2 PHE 22 -4.704 -2.668 3.343
137 HE1 PHE 22 HE1 PHE 22 -1.254 -3.727 -0.000
138 HE2 PHE 22 HE2 PHE 22 -2.376 -1.965 3.716
139 HZ PHE 22 HZ PHE 22 -0.647 -2.493 2.043
140 H SER 23 H SER 23 -8.249 -5.359 2.676
141 HA SER 23 HA SER 23 -9.628 -6.892 0.606
142 HB2 SER 23 1HB SER 23 -11.456 -7.081 2.196
143 HB3 SER 23 2HB SER 23 -9.943 -7.503 3.000
144 HG SER 23 HG SER 23 -10.245 -5.902 4.317
145 H GLN 24 H GLN 24 -8.745 -3.930 0.583
146 HA GLN 24 HA GLN 24 -11.215 -2.963 -0.630
147 HB2 GLN 24 1HB GLN 24 -9.883 -1.763 1.752
148 HB3 GLN 24 2HB GLN 24 -10.578 -0.678 0.556
149 HG2 GLN 24 1HG GLN 24 -11.997 -2.793 2.151
150 HG3 GLN 24 2HG GLN 24 -12.197 -1.045 2.259
151 HE21 GLN 24 1HE2 GLN 24 -14.163 -3.141 1.723
152 HE22 GLN 24 2HE2 GLN 24 -14.885 -2.739 0.206
153 H SER 25 H SER 25 -10.783 -2.123 -2.554
154 HA SER 25 HA SER 25 -8.298 -1.984 -3.718
155 HB2 SER 25 1HB SER 25 -9.322 -0.581 -5.452
156 HB3 SER 25 2HB SER 25 -10.409 -1.889 -4.985
157 HG SER 25 HG SER 25 -11.795 -0.464 -4.307
158 H SER 26 H SER 26 -9.954 0.455 -1.816
159 HA SER 26 HA SER 26 -8.149 2.578 -2.407
160 HB2 SER 26 1HB SER 26 -10.570 2.647 -1.404
161 HB3 SER 26 2HB SER 26 -9.734 2.472 0.138
162 HG SER 26 HG SER 26 -9.686 4.594 -0.088
163 H HIS 27 H HIS 27 -8.393 0.196 0.191
164 HA HIS 27 HA HIS 27 -6.495 1.157 1.949
165 HB2 HIS 27 1HB HIS 27 -7.374 -1.619 1.224
166 HB3 HIS 27 2HB HIS 27 -6.061 -1.382 2.374
167 HD1 HIS 27 HD1 HIS 27 -7.587 -2.439 4.222
168 HD2 HIS 27 HD2 HIS 27 -9.001 1.123 2.618
169 HE1 HIS 27 HE1 HIS 27 -9.385 -1.659 5.798
170 H LEU 28 H LEU 28 -5.991 -0.901 -0.900
171 HA LEU 28 HA LEU 28 -3.204 -1.186 -0.594
172 HB2 LEU 28 1HB LEU 28 -4.434 -2.678 -2.013
173 HB3 LEU 28 2HB LEU 28 -4.967 -1.342 -3.031
174 HG LEU 28 HG LEU 28 -2.580 -1.010 -3.704
175 HD11 LEU 28 1HD1 LEU 28 -0.905 -2.184 -2.825
176 HD12 LEU 28 2HD1 LEU 28 -1.783 -3.705 -2.978
177 HD13 LEU 28 3HD1 LEU 28 -2.045 -2.674 -1.571
178 HD21 LEU 28 3HD2 LEU 28 -3.904 -2.103 -5.284
179 HD22 LEU 28 1HD2 LEU 28 -4.061 -3.551 -4.289
180 HD23 LEU 28 2HD2 LEU 28 -2.524 -3.182 -5.072
181 H GLN 29 H GLN 29 -4.993 0.870 -2.901
182 HA GLN 29 HA GLN 29 -2.952 2.283 -4.003
183 HB2 GLN 29 1HB GLN 29 -5.722 3.155 -3.221
184 HB3 GLN 29 2HB GLN 29 -4.616 4.256 -4.031
185 HG2 GLN 29 1HG GLN 29 -4.393 2.507 -5.835
186 HG3 GLN 29 2HG GLN 29 -5.745 1.675 -5.068
187 HE21 GLN 29 1HE2 GLN 29 -7.325 1.940 -6.518
188 HE22 GLN 29 2HE2 GLN 29 -7.906 3.466 -7.081
189 H THR 30 H THR 30 -4.500 2.944 -0.885
190 HA THR 30 HA THR 30 -3.070 5.293 -0.283
191 HB THR 30 HB THR 30 -4.308 3.271 1.594
192 HG1 THR 30 HG1 THR 30 -6.118 4.290 1.173
193 HG21 THR 30 3HG2 THR 30 -2.818 4.497 2.932
194 HG22 THR 30 1HG2 THR 30 -4.363 5.322 3.133
195 HG23 THR 30 2HG2 THR 30 -3.134 5.998 2.064
196 H HIS 31 H HIS 31 -2.352 1.889 0.227
197 HA HIS 31 HA HIS 31 -0.080 2.333 1.897
198 HB2 HIS 31 1HB HIS 31 -1.020 0.209 2.150
199 HB3 HIS 31 2HB HIS 31 -1.178 -0.035 0.413
200 HD1 HIS 31 HD1 HIS 31 1.543 0.152 3.054
201 HD2 HIS 31 HD2 HIS 31 0.836 -1.484 -0.699
202 HE1 HIS 31 HE1 HIS 31 3.540 -1.295 2.564
203 H GLN 32 H GLN 32 -0.511 1.612 -1.551
204 HA GLN 32 HA GLN 32 2.108 1.328 -2.337
205 HB2 GLN 32 1HB GLN 32 -0.284 2.500 -3.726
206 HB3 GLN 32 2HB GLN 32 1.282 2.443 -4.525
207 HG2 GLN 32 1HG GLN 32 0.094 -0.024 -3.326
208 HG3 GLN 32 2HG GLN 32 -0.404 0.538 -4.921
209 HE21 GLN 32 1HE2 GLN 32 0.606 -1.821 -5.027
210 HE22 GLN 32 2HE2 GLN 32 2.245 -1.843 -5.571
211 H ARG 33 H ARG 33 0.583 4.120 -1.099
212 HA ARG 33 HA ARG 33 2.046 6.168 -2.318
213 HB2 ARG 33 1HB ARG 33 0.910 6.022 0.480
214 HB3 ARG 33 2HB ARG 33 1.498 7.492 -0.286
215 HG2 ARG 33 1HG ARG 33 -0.239 6.795 -2.149
216 HG3 ARG 33 2HG ARG 33 -0.984 5.948 -0.791
217 HD2 ARG 33 1HD ARG 33 -0.748 8.177 0.463
218 HD3 ARG 33 2HD ARG 33 -0.474 8.886 -1.128
219 HE ARG 33 HE ARG 33 -2.969 7.954 -0.053
220 HH11 ARG 33 1HH1 ARG 33 -1.171 8.586 -2.967
221 HH12 ARG 33 2HH1 ARG 33 -2.583 8.799 -3.947
222 HH21 ARG 33 1HH2 ARG 33 -4.836 8.231 -1.334
223 HH22 ARG 33 2HH2 ARG 33 -4.667 8.598 -3.017
224 H VAL 34 H VAL 34 3.061 3.733 -0.180
225 HA VAL 34 HA VAL 34 5.337 5.240 0.835
226 HB VAL 34 HB VAL 34 5.858 3.310 2.169
227 HG11 VAL 34 1HG1 VAL 34 3.371 2.899 3.084
228 HG12 VAL 34 2HG1 VAL 34 4.287 4.373 3.404
229 HG13 VAL 34 3HG1 VAL 34 3.090 4.341 2.109
230 HG21 VAL 34 3HG2 VAL 34 4.490 1.906 0.095
231 HG22 VAL 34 1HG2 VAL 34 5.466 1.259 1.414
232 HG23 VAL 34 2HG2 VAL 34 3.737 1.519 1.642
233 H HIS 35 H HIS 35 4.560 3.194 -1.778
234 HA HIS 35 HA HIS 35 7.329 2.382 -2.218
235 HB2 HIS 35 1HB HIS 35 4.803 1.734 -3.751
236 HB3 HIS 35 2HB HIS 35 6.399 1.091 -4.124
237 HD1 HIS 35 HD1 HIS 35 7.162 0.562 -1.072
238 HD2 HIS 35 HD2 HIS 35 3.717 -0.705 -3.018
239 HE1 HIS 35 HE1 HIS 35 6.347 -1.429 0.231
240 H THR 36 H THR 36 5.059 4.751 -3.245
241 HA THR 36 HA THR 36 6.364 5.360 -5.740
242 HB THR 36 HB THR 36 3.930 5.765 -5.368
243 HG1 THR 36 HG1 THR 36 3.992 7.853 -6.393
244 HG21 THR 36 3HG2 THR 36 3.118 7.421 -3.960
245 HG22 THR 36 1HG2 THR 36 4.673 8.247 -3.866
246 HG23 THR 36 2HG2 THR 36 4.427 6.729 -3.002
247 H GLY 37 H GLY 37 7.882 6.880 -6.144
248 HA2 GLY 37 1HA GLY 37 8.476 9.206 -4.900
249 HA3 GLY 37 2HA GLY 37 9.268 8.017 -3.877
250 H GLU 38 H GLU 38 11.380 8.216 -4.279
251 HA GLU 38 HA GLU 38 12.358 8.783 -6.937
252 HB2 GLU 38 1HB GLU 38 13.883 8.165 -4.400
253 HB3 GLU 38 2HB GLU 38 14.574 8.787 -5.892
254 HG2 GLU 38 1HG GLU 38 12.457 10.252 -4.349
255 HG3 GLU 38 2HG GLU 38 14.181 10.460 -4.049
256 H LYS 39 H LYS 39 11.016 6.153 -6.071
257 HA LYS 39 HA LYS 39 12.813 4.043 -6.108
258 HB2 LYS 39 1HB LYS 39 10.715 3.262 -5.685
259 HB3 LYS 39 2HB LYS 39 9.954 4.392 -6.797
260 HG2 LYS 39 1HG LYS 39 9.673 2.110 -7.559
261 HG3 LYS 39 2HG LYS 39 10.679 3.023 -8.687
262 HD2 LYS 39 1HD LYS 39 11.932 1.122 -8.524
263 HD3 LYS 39 2HD LYS 39 12.621 2.034 -7.178
264 HE2 LYS 39 1HE LYS 39 12.125 -0.281 -6.547
265 HE3 LYS 39 2HE LYS 39 11.162 0.868 -5.619
266 HZ1 LYS 39 3HZ LYS 39 10.096 -0.389 -8.070
267 HZ2 LYS 39 1HZ LYS 39 9.248 0.330 -6.794
268 HZ3 LYS 39 2HZ LYS 39 9.996 -1.170 -6.573
269 HA PRO 40 HA PRO 40 12.480 3.880 -10.921
270 HB2 PRO 40 1HB PRO 40 11.254 5.959 -12.163
271 HB3 PRO 40 2HB PRO 40 10.385 4.521 -11.614
272 HG2 PRO 40 1HG PRO 40 10.629 7.201 -10.303
273 HG3 PRO 40 2HG PRO 40 9.199 6.168 -10.480
274 HD2 PRO 40 1HD PRO 40 10.626 6.300 -8.183
275 HD3 PRO 40 2HD PRO 40 9.798 4.820 -8.709
276 H SER 41 H SER 41 12.807 7.077 -9.464
277 HA SER 41 HA SER 41 15.384 7.378 -10.819
278 HB2 SER 41 1HB SER 41 14.943 9.521 -11.664
279 HB3 SER 41 2HB SER 41 13.458 8.637 -12.012
280 HG SER 41 HG SER 41 13.561 10.867 -10.789
281 H GLY 42 H GLY 42 16.945 8.333 -9.598
282 HA2 GLY 42 1HA GLY 42 16.125 9.528 -7.031
283 HA3 GLY 42 2HA GLY 42 17.347 8.266 -7.066
284 HA PRO 43 HA PRO 43 19.014 12.691 -8.012
285 HB2 PRO 43 1HB PRO 43 19.500 13.632 -5.512
286 HB3 PRO 43 2HB PRO 43 17.987 13.933 -6.374
287 HG2 PRO 43 1HG PRO 43 18.592 11.896 -4.266
288 HG3 PRO 43 2HG PRO 43 17.162 12.928 -4.446
289 HD2 PRO 43 1HD PRO 43 17.188 10.329 -5.204
290 HD3 PRO 43 2HD PRO 43 16.219 11.558 -6.042
291 H SER 44 H SER 44 19.801 9.916 -6.239
292 HA SER 44 HA SER 44 22.622 10.679 -5.985
293 HB2 SER 44 1HB SER 44 22.864 8.997 -4.380
294 HB3 SER 44 2HB SER 44 21.228 9.582 -4.079
295 HG SER 44 HG SER 44 20.590 7.627 -4.450
296 H SER 45 H SER 45 24.280 9.323 -6.801
297 HA SER 45 HA SER 45 23.477 7.306 -8.765
298 HB2 SER 45 1HB SER 45 25.165 8.281 -10.378
299 HB3 SER 45 2HB SER 45 23.714 9.254 -10.137
300 HG SER 45 HG SER 45 24.869 10.637 -8.844
301 H GLY 46 H GLY 46 24.663 5.519 -8.588
302 HA2 GLY 46 1HA GLY 46 26.417 4.110 -8.111
303 HA3 GLY 46 2HA GLY 46 27.466 5.521 -8.113
Start of MODEL 15
1 H1 GLY 1 H GLY 1 4.489 -24.207 6.819
2 HA2 GLY 1 1HA GLY 1 4.812 -25.921 4.667
3 HA3 GLY 1 2HA GLY 1 3.376 -25.860 5.679
4 H SER 2 H SER 2 1.641 -25.809 4.421
5 HA SER 2 HA SER 2 1.728 -24.188 1.968
6 HB2 SER 2 1HB SER 2 -0.282 -25.558 1.298
7 HB3 SER 2 2HB SER 2 1.211 -26.479 1.473
8 HG SER 2 HG SER 2 -0.290 -27.630 2.566
9 H SER 3 H SER 3 1.394 -22.841 4.368
10 HA SER 3 HA SER 3 -0.033 -21.521 5.594
11 HB2 SER 3 1HB SER 3 -1.221 -19.931 4.233
12 HB3 SER 3 2HB SER 3 0.272 -20.345 3.392
13 HG SER 3 HG SER 3 -0.946 -20.909 1.789
14 H GLY 4 H GLY 4 -0.877 -24.165 5.725
15 HA2 GLY 4 1HA GLY 4 -2.695 -25.427 6.332
16 HA3 GLY 4 2HA GLY 4 -3.504 -23.900 6.647
17 H SER 5 H SER 5 -5.429 -25.042 5.913
18 HA SER 5 HA SER 5 -5.633 -24.996 2.976
19 HB2 SER 5 1HB SER 5 -6.463 -27.109 4.906
20 HB3 SER 5 2HB SER 5 -7.519 -26.804 3.528
21 HG SER 5 HG SER 5 -6.160 -28.117 2.579
22 H SER 6 H SER 6 -6.193 -22.797 4.574
23 HA SER 6 HA SER 6 -9.121 -22.630 4.307
24 HB2 SER 6 1HB SER 6 -7.376 -21.608 6.544
25 HB3 SER 6 2HB SER 6 -8.984 -20.950 6.241
26 HG SER 6 HG SER 6 -9.869 -22.935 6.670
27 H GLY 7 H GLY 7 -9.890 -20.333 4.122
28 HA2 GLY 7 1HA GLY 7 -8.455 -18.099 3.580
29 HA3 GLY 7 2HA GLY 7 -8.329 -19.012 2.084
30 H MET 8 H MET 8 -9.780 -16.456 3.065
31 HA MET 8 HA MET 8 -12.178 -16.957 1.493
32 HB2 MET 8 1HB MET 8 -12.562 -17.284 4.066
33 HB3 MET 8 2HB MET 8 -12.537 -15.526 4.098
34 HG2 MET 8 1HG MET 8 -14.806 -16.430 3.946
35 HG3 MET 8 2HG MET 8 -14.386 -15.427 2.559
36 HE1 MET 8 3HE MET 8 -16.962 -18.122 1.813
37 HE2 MET 8 1HE MET 8 -16.609 -16.418 2.101
38 HE3 MET 8 2HE MET 8 -16.393 -17.103 0.490
39 H GLY 9 H GLY 9 -13.362 -14.890 1.029
40 HA2 GLY 9 1HA GLY 9 -13.151 -12.407 1.182
41 HA3 GLY 9 2HA GLY 9 -11.435 -12.653 0.894
42 H GLU 10 H GLU 10 -14.194 -11.681 -0.538
43 HA GLU 10 HA GLU 10 -13.980 -12.962 -3.085
44 HB2 GLU 10 1HB GLU 10 -15.400 -10.406 -2.315
45 HB3 GLU 10 2HB GLU 10 -15.610 -11.276 -3.827
46 HG2 GLU 10 1HG GLU 10 -16.091 -12.706 -1.262
47 HG3 GLU 10 2HG GLU 10 -17.301 -11.570 -1.856
48 H LYS 11 H LYS 11 -12.671 -10.067 -1.633
49 HA LYS 11 HA LYS 11 -11.160 -9.573 -4.113
50 HB2 LYS 11 1HB LYS 11 -12.510 -7.607 -2.280
51 HB3 LYS 11 2HB LYS 11 -11.158 -7.122 -3.294
52 HG2 LYS 11 1HG LYS 11 -12.927 -6.561 -4.628
53 HG3 LYS 11 2HG LYS 11 -12.587 -8.196 -5.202
54 HD2 LYS 11 1HD LYS 11 -14.323 -9.014 -3.576
55 HD3 LYS 11 2HD LYS 11 -14.748 -7.325 -3.289
56 HE2 LYS 11 1HE LYS 11 -14.647 -8.309 -6.097
57 HE3 LYS 11 2HE LYS 11 -16.013 -8.787 -5.090
58 HZ1 LYS 11 3HZ LYS 11 -16.259 -6.340 -4.586
59 HZ2 LYS 11 1HZ LYS 11 -16.663 -6.821 -6.157
60 HZ3 LYS 11 2HZ LYS 11 -15.186 -6.052 -5.861
61 H CYS 12 H CYS 12 -9.130 -10.163 -3.723
62 HA CYS 12 HA CYS 12 -7.951 -9.478 -1.112
63 HB2 CYS 12 1HB CYS 12 -7.284 -11.738 -3.005
64 HB3 CYS 12 2HB CYS 12 -6.325 -11.330 -1.588
65 HG CYS 12 HG CYS 12 -9.099 -11.592 -0.211
66 H TYR 13 H TYR 13 -7.368 -7.382 -1.831
67 HA TYR 13 HA TYR 13 -5.702 -7.021 -4.136
68 HB2 TYR 13 1HB TYR 13 -6.765 -5.269 -1.968
69 HB3 TYR 13 2HB TYR 13 -5.375 -4.702 -2.886
70 HD1 TYR 13 HD2 TYR 13 -5.582 -4.462 -5.382
71 HD2 TYR 13 HD1 TYR 13 -8.944 -5.192 -2.879
72 HE1 TYR 13 HE2 TYR 13 -7.077 -3.689 -7.175
73 HE2 TYR 13 HE1 TYR 13 -10.449 -4.421 -4.666
74 HH TYR 13 HH TYR 13 -10.385 -4.228 -7.170
75 H LYS 14 H LYS 14 -3.776 -8.039 -4.040
76 HA LYS 14 HA LYS 14 -2.121 -7.692 -1.639
77 HB2 LYS 14 1HB LYS 14 -2.510 -10.005 -2.452
78 HB3 LYS 14 2HB LYS 14 -1.729 -9.580 -3.968
79 HG2 LYS 14 1HG LYS 14 0.282 -8.931 -2.489
80 HG3 LYS 14 2HG LYS 14 -0.523 -9.898 -1.251
81 HD2 LYS 14 1HD LYS 14 -0.323 -11.865 -2.487
82 HD3 LYS 14 2HD LYS 14 -0.058 -10.998 -4.001
83 HE2 LYS 14 1HE LYS 14 2.100 -10.149 -2.931
84 HE3 LYS 14 2HE LYS 14 1.846 -11.396 -1.711
85 HZ1 LYS 14 3HZ LYS 14 3.303 -12.008 -3.656
86 HZ2 LYS 14 1HZ LYS 14 1.903 -12.006 -4.607
87 HZ3 LYS 14 2HZ LYS 14 2.044 -13.083 -3.310
88 H CYS 15 H CYS 15 -0.513 -6.274 -1.661
89 HA CYS 15 HA CYS 15 0.097 -4.698 -3.925
90 HB2 CYS 15 1HB CYS 15 0.376 -3.826 -1.672
91 HB3 CYS 15 2HB CYS 15 1.594 -5.048 -1.320
92 H ASP 16 H ASP 16 1.189 -5.331 -5.654
93 HA ASP 16 HA ASP 16 3.013 -7.575 -5.529
94 HB2 ASP 16 1HB ASP 16 2.160 -5.818 -7.840
95 HB3 ASP 16 2HB ASP 16 3.192 -7.238 -7.987
96 H VAL 17 H VAL 17 3.959 -5.519 -3.966
97 HA VAL 17 HA VAL 17 6.368 -4.733 -5.455
98 HB VAL 17 HB VAL 17 4.896 -2.931 -3.527
99 HG11 VAL 17 1HG1 VAL 17 6.546 -1.251 -4.169
100 HG12 VAL 17 2HG1 VAL 17 7.325 -2.660 -3.446
101 HG13 VAL 17 3HG1 VAL 17 7.360 -2.432 -5.195
102 HG21 VAL 17 3HG2 VAL 17 4.303 -1.579 -5.404
103 HG22 VAL 17 1HG2 VAL 17 5.266 -2.575 -6.496
104 HG23 VAL 17 2HG2 VAL 17 3.804 -3.232 -5.761
105 H CYS 18 H CYS 18 4.881 -4.987 -2.233
106 HA CYS 18 HA CYS 18 7.510 -5.814 -1.186
107 HB2 CYS 18 1HB CYS 18 6.832 -4.908 0.986
108 HB3 CYS 18 2HB CYS 18 6.782 -3.661 -0.256
109 H GLY 19 H GLY 19 4.015 -6.314 -1.039
110 HA2 GLY 19 1HA GLY 19 3.338 -8.703 -1.079
111 HA3 GLY 19 2HA GLY 19 4.542 -8.958 0.175
112 H LYS 20 H LYS 20 1.866 -6.659 -0.356
113 HA LYS 20 HA LYS 20 1.079 -7.061 2.444
114 HB2 LYS 20 1HB LYS 20 0.840 -4.810 0.516
115 HB3 LYS 20 2HB LYS 20 -0.450 -4.995 1.697
116 HG2 LYS 20 1HG LYS 20 2.457 -4.860 2.448
117 HG3 LYS 20 2HG LYS 20 1.412 -3.441 2.344
118 HD2 LYS 20 1HD LYS 20 0.478 -5.753 3.965
119 HD3 LYS 20 2HD LYS 20 1.774 -4.750 4.620
120 HE2 LYS 20 1HE LYS 20 0.382 -2.768 4.378
121 HE3 LYS 20 2HE LYS 20 -0.903 -3.740 3.662
122 HZ1 LYS 20 3HZ LYS 20 -0.019 -4.715 6.217
123 HZ2 LYS 20 1HZ LYS 20 -1.587 -4.419 5.656
124 HZ3 LYS 20 2HZ LYS 20 -0.664 -3.153 6.291
125 H GLU 21 H GLU 21 -1.477 -6.489 2.584
126 HA GLU 21 HA GLU 21 -3.024 -7.767 0.513
127 HB2 GLU 21 1HB GLU 21 -2.356 -9.147 3.065
128 HB3 GLU 21 2HB GLU 21 -3.996 -9.313 2.454
129 HG2 GLU 21 1HG GLU 21 -2.994 -10.059 0.274
130 HG3 GLU 21 2HG GLU 21 -1.438 -10.118 1.101
131 H PHE 22 H PHE 22 -4.829 -6.630 0.353
132 HA PHE 22 HA PHE 22 -6.027 -5.521 2.802
133 HB2 PHE 22 1HB PHE 22 -6.000 -4.107 0.132
134 HB3 PHE 22 2HB PHE 22 -6.555 -3.468 1.676
135 HD1 PHE 22 HD1 PHE 22 -3.539 -4.643 -0.128
136 HD2 PHE 22 HD2 PHE 22 -5.089 -2.344 3.102
137 HE1 PHE 22 HE1 PHE 22 -1.294 -3.728 0.293
138 HE2 PHE 22 HE2 PHE 22 -2.847 -1.425 3.528
139 HZ PHE 22 HZ PHE 22 -0.946 -2.116 2.122
140 H SER 23 H SER 23 -8.354 -4.790 2.356
141 HA SER 23 HA SER 23 -9.705 -7.010 1.024
142 HB2 SER 23 1HB SER 23 -10.454 -5.049 3.148
143 HB3 SER 23 2HB SER 23 -11.743 -5.750 2.170
144 HG SER 23 HG SER 23 -9.860 -7.095 3.802
145 H GLN 24 H GLN 24 -9.710 -3.463 1.062
146 HA GLN 24 HA GLN 24 -11.255 -3.493 -1.440
147 HB2 GLN 24 1HB GLN 24 -11.038 -1.551 0.814
148 HB3 GLN 24 2HB GLN 24 -11.377 -0.926 -0.795
149 HG2 GLN 24 1HG GLN 24 -12.997 -3.096 0.507
150 HG3 GLN 24 2HG GLN 24 -13.378 -1.380 0.644
151 HE21 GLN 24 1HE2 GLN 24 -14.286 -0.322 -1.062
152 HE22 GLN 24 2HE2 GLN 24 -14.813 -1.112 -2.505
153 H SER 25 H SER 25 -10.668 -1.910 -3.088
154 HA SER 25 HA SER 25 -7.952 -2.053 -3.779
155 HB2 SER 25 1HB SER 25 -8.554 -0.413 -5.571
156 HB3 SER 25 2HB SER 25 -9.637 -1.803 -5.495
157 HG SER 25 HG SER 25 -10.705 0.268 -5.682
158 H SER 26 H SER 26 -9.864 0.786 -2.774
159 HA SER 26 HA SER 26 -7.983 2.733 -2.740
160 HB2 SER 26 1HB SER 26 -10.207 2.170 -0.786
161 HB3 SER 26 2HB SER 26 -9.190 3.603 -0.636
162 HG SER 26 HG SER 26 -10.621 2.905 -2.984
163 H HIS 27 H HIS 27 -8.571 0.473 -0.049
164 HA HIS 27 HA HIS 27 -6.719 1.297 1.766
165 HB2 HIS 27 1HB HIS 27 -7.347 -1.562 0.998
166 HB3 HIS 27 2HB HIS 27 -6.522 -1.076 2.477
167 HD1 HIS 27 HD1 HIS 27 -9.186 -2.625 2.569
168 HD2 HIS 27 HD2 HIS 27 -8.875 1.515 2.743
169 HE1 HIS 27 HE1 HIS 27 -11.291 -1.839 3.699
170 H LEU 28 H LEU 28 -6.049 -1.097 -0.796
171 HA LEU 28 HA LEU 28 -3.305 -1.306 -0.345
172 HB2 LEU 28 1HB LEU 28 -4.317 -2.941 -1.696
173 HB3 LEU 28 2HB LEU 28 -5.004 -1.734 -2.782
174 HG LEU 28 HG LEU 28 -2.663 -1.225 -3.539
175 HD11 LEU 28 1HD1 LEU 28 -0.872 -2.240 -2.682
176 HD12 LEU 28 2HD1 LEU 28 -1.656 -3.819 -2.681
177 HD13 LEU 28 3HD1 LEU 28 -1.925 -2.701 -1.345
178 HD21 LEU 28 3HD2 LEU 28 -2.791 -3.992 -4.283
179 HD22 LEU 28 1HD2 LEU 28 -3.152 -2.558 -5.244
180 HD23 LEU 28 2HD2 LEU 28 -4.413 -3.298 -4.256
181 H GLN 29 H GLN 29 -5.012 0.686 -2.759
182 HA GLN 29 HA GLN 29 -2.913 1.941 -3.966
183 HB2 GLN 29 1HB GLN 29 -5.690 2.798 -3.306
184 HB3 GLN 29 2HB GLN 29 -4.574 4.014 -3.910
185 HG2 GLN 29 1HG GLN 29 -5.802 3.143 -5.753
186 HG3 GLN 29 2HG GLN 29 -4.142 2.563 -5.875
187 HE21 GLN 29 1HE2 GLN 29 -3.726 0.406 -5.733
188 HE22 GLN 29 2HE2 GLN 29 -4.958 -0.803 -5.662
189 H THR 30 H THR 30 -4.489 2.954 -0.945
190 HA THR 30 HA THR 30 -2.951 5.228 -0.452
191 HB THR 30 HB THR 30 -4.191 3.344 1.564
192 HG1 THR 30 HG1 THR 30 -5.397 4.744 -0.199
193 HG21 THR 30 3HG2 THR 30 -3.852 4.918 3.216
194 HG22 THR 30 1HG2 THR 30 -3.683 6.245 2.068
195 HG23 THR 30 2HG2 THR 30 -2.368 5.088 2.279
196 H HIS 31 H HIS 31 -2.396 1.852 0.474
197 HA HIS 31 HA HIS 31 -0.063 2.334 1.999
198 HB2 HIS 31 1HB HIS 31 -0.967 0.260 2.456
199 HB3 HIS 31 2HB HIS 31 -1.338 -0.070 0.766
200 HD1 HIS 31 HD1 HIS 31 1.535 -0.121 3.205
201 HD2 HIS 31 HD2 HIS 31 0.602 -1.458 -0.617
202 HE1 HIS 31 HE1 HIS 31 3.424 -1.644 2.546
203 H GLN 32 H GLN 32 -0.567 1.436 -1.392
204 HA GLN 32 HA GLN 32 1.945 0.905 -2.264
205 HB2 GLN 32 1HB GLN 32 -0.155 2.594 -3.627
206 HB3 GLN 32 2HB GLN 32 1.289 1.992 -4.430
207 HG2 GLN 32 1HG GLN 32 0.439 -0.325 -3.574
208 HG3 GLN 32 2HG GLN 32 -1.111 0.508 -3.481
209 HE21 GLN 32 1HE2 GLN 32 0.902 -1.260 -5.426
210 HE22 GLN 32 2HE2 GLN 32 0.214 -0.872 -6.963
211 H ARG 33 H ARG 33 0.781 3.923 -1.063
212 HA ARG 33 HA ARG 33 2.471 5.772 -2.212
213 HB2 ARG 33 1HB ARG 33 1.408 5.596 0.606
214 HB3 ARG 33 2HB ARG 33 2.302 6.988 0.009
215 HG2 ARG 33 1HG ARG 33 0.578 7.202 -1.798
216 HG3 ARG 33 2HG ARG 33 -0.352 5.959 -0.958
217 HD2 ARG 33 1HD ARG 33 -1.255 7.951 -0.159
218 HD3 ARG 33 2HD ARG 33 -0.122 7.474 1.105
219 HE ARG 33 HE ARG 33 1.399 9.081 -0.384
220 HH11 ARG 33 1HH1 ARG 33 -1.845 9.470 0.818
221 HH12 ARG 33 2HH1 ARG 33 -1.736 11.195 0.931
222 HH21 ARG 33 1HH2 ARG 33 1.555 11.352 -0.241
223 HH22 ARG 33 2HH2 ARG 33 0.198 12.265 0.327
224 H VAL 34 H VAL 34 3.128 3.546 0.450
225 HA VAL 34 HA VAL 34 5.561 4.494 1.338
226 HB VAL 34 HB VAL 34 6.068 2.255 2.100
227 HG11 VAL 34 1HG1 VAL 34 3.203 3.120 2.298
228 HG12 VAL 34 2HG1 VAL 34 3.793 1.689 3.146
229 HG13 VAL 34 3HG1 VAL 34 4.493 3.271 3.492
230 HG21 VAL 34 3HG2 VAL 34 5.200 1.295 -0.188
231 HG22 VAL 34 1HG2 VAL 34 5.167 0.313 1.277
232 HG23 VAL 34 2HG2 VAL 34 3.695 1.104 0.712
233 H HIS 35 H HIS 35 4.799 3.230 -1.728
234 HA HIS 35 HA HIS 35 7.653 2.838 -2.344
235 HB2 HIS 35 1HB HIS 35 5.350 1.807 -3.995
236 HB3 HIS 35 2HB HIS 35 7.042 1.323 -4.070
237 HD1 HIS 35 HD1 HIS 35 7.820 0.347 -1.481
238 HD2 HIS 35 HD2 HIS 35 3.900 -0.105 -2.781
239 HE1 HIS 35 HE1 HIS 35 6.868 -1.529 -0.105
240 H THR 36 H THR 36 4.708 4.486 -3.230
241 HA THR 36 HA THR 36 5.265 5.488 -5.721
242 HB THR 36 HB THR 36 3.868 7.417 -5.178
243 HG1 THR 36 HG1 THR 36 4.878 7.396 -2.883
244 HG21 THR 36 3HG2 THR 36 1.903 6.140 -4.161
245 HG22 THR 36 1HG2 THR 36 2.991 4.755 -4.085
246 HG23 THR 36 2HG2 THR 36 2.601 5.486 -5.642
247 H GLY 37 H GLY 37 5.924 7.738 -6.319
248 HA2 GLY 37 1HA GLY 37 8.568 8.240 -5.763
249 HA3 GLY 37 2HA GLY 37 7.446 9.462 -6.342
250 H GLU 38 H GLU 38 5.742 9.625 -4.130
251 HA GLU 38 HA GLU 38 7.351 11.262 -2.400
252 HB2 GLU 38 1HB GLU 38 4.438 10.684 -2.697
253 HB3 GLU 38 2HB GLU 38 5.004 11.366 -1.179
254 HG2 GLU 38 1HG GLU 38 6.086 13.190 -2.528
255 HG3 GLU 38 2HG GLU 38 5.218 12.560 -3.926
256 H LYS 39 H LYS 39 8.671 10.143 -1.073
257 HA LYS 39 HA LYS 39 7.390 8.328 0.847
258 HB2 LYS 39 1HB LYS 39 9.375 6.853 0.763
259 HB3 LYS 39 2HB LYS 39 8.500 6.896 -0.762
260 HG2 LYS 39 1HG LYS 39 10.145 8.248 -1.780
261 HG3 LYS 39 2HG LYS 39 10.919 8.596 -0.232
262 HD2 LYS 39 1HD LYS 39 12.334 6.978 -0.997
263 HD3 LYS 39 2HD LYS 39 11.151 5.956 -0.176
264 HE2 LYS 39 1HE LYS 39 9.953 5.845 -2.430
265 HE3 LYS 39 2HE LYS 39 11.436 6.507 -3.116
266 HZ1 LYS 39 3HZ LYS 39 12.158 4.391 -1.459
267 HZ2 LYS 39 1HZ LYS 39 12.257 4.467 -3.146
268 HZ3 LYS 39 2HZ LYS 39 10.868 3.845 -2.407
269 HA PRO 40 HA PRO 40 10.149 11.660 2.721
270 HB2 PRO 40 1HB PRO 40 8.199 12.908 4.139
271 HB3 PRO 40 2HB PRO 40 8.613 13.352 2.479
272 HG2 PRO 40 1HG PRO 40 6.372 11.637 3.478
273 HG3 PRO 40 2HG PRO 40 6.349 12.888 2.222
274 HD2 PRO 40 1HD PRO 40 6.457 10.245 1.644
275 HD3 PRO 40 2HD PRO 40 7.226 11.478 0.624
276 H SER 41 H SER 41 8.462 8.972 3.568
277 HA SER 41 HA SER 41 8.842 9.270 6.453
278 HB2 SER 41 1HB SER 41 7.545 7.040 4.866
279 HB3 SER 41 2HB SER 41 7.601 7.144 6.626
280 HG SER 41 HG SER 41 6.478 9.203 6.355
281 H GLY 42 H GLY 42 10.652 8.594 7.378
282 HA2 GLY 42 1HA GLY 42 12.226 6.507 6.000
283 HA3 GLY 42 2HA GLY 42 12.938 7.809 6.941
284 HA PRO 43 HA PRO 43 12.756 4.074 9.654
285 HB2 PRO 43 1HB PRO 43 15.238 4.433 10.694
286 HB3 PRO 43 2HB PRO 43 14.946 3.566 9.181
287 HG2 PRO 43 1HG PRO 43 15.831 6.394 9.603
288 HG3 PRO 43 2HG PRO 43 16.422 5.200 8.434
289 HD2 PRO 43 1HD PRO 43 14.678 7.158 7.759
290 HD3 PRO 43 2HD PRO 43 14.665 5.560 6.986
291 H SER 44 H SER 44 14.231 7.225 10.441
292 HA SER 44 HA SER 44 14.263 8.401 12.417
293 HB2 SER 44 1HB SER 44 11.924 8.951 13.189
294 HB3 SER 44 2HB SER 44 12.212 9.211 11.468
295 HG SER 44 HG SER 44 11.276 6.703 12.209
296 H SER 45 H SER 45 15.028 5.806 12.935
297 HA SER 45 HA SER 45 13.586 5.086 15.394
298 HB2 SER 45 1HB SER 45 14.761 2.902 15.198
299 HB3 SER 45 2HB SER 45 13.754 3.260 13.795
300 HG SER 45 HG SER 45 15.705 4.021 12.768
301 H GLY 46 H GLY 46 14.660 4.859 17.343
302 HA2 GLY 46 1HA GLY 46 17.165 6.342 17.525
303 HA3 GLY 46 2HA GLY 46 16.133 5.872 18.867
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -21.936 -30.440 -13.582
2 HA2 GLY 1 1HA GLY 1 -23.660 -29.464 -15.647
3 HA3 GLY 1 2HA GLY 1 -24.269 -30.954 -14.941
4 H SER 2 H SER 2 -25.267 -30.903 -12.989
5 HA SER 2 HA SER 2 -26.234 -28.427 -12.037
6 HB2 SER 2 1HB SER 2 -27.454 -30.579 -11.800
7 HB3 SER 2 2HB SER 2 -26.252 -31.104 -10.621
8 HG SER 2 HG SER 2 -27.431 -30.112 -9.207
9 H SER 3 H SER 3 -25.991 -27.590 -9.835
10 HA SER 3 HA SER 3 -23.691 -28.320 -8.288
11 HB2 SER 3 1HB SER 3 -22.420 -27.095 -9.867
12 HB3 SER 3 2HB SER 3 -23.637 -25.823 -9.980
13 HG SER 3 HG SER 3 -22.225 -24.933 -8.635
14 H GLY 4 H GLY 4 -23.695 -27.398 -6.236
15 HA2 GLY 4 1HA GLY 4 -26.235 -26.441 -5.336
16 HA3 GLY 4 2HA GLY 4 -24.793 -26.646 -4.353
17 H SER 5 H SER 5 -25.949 -24.580 -3.519
18 HA SER 5 HA SER 5 -25.514 -22.195 -5.064
19 HB2 SER 5 1HB SER 5 -26.382 -21.010 -3.129
20 HB3 SER 5 2HB SER 5 -27.387 -22.426 -3.437
21 HG SER 5 HG SER 5 -25.241 -22.747 -1.695
22 H SER 6 H SER 6 -23.520 -21.468 -5.390
23 HA SER 6 HA SER 6 -21.745 -21.175 -3.075
24 HB2 SER 6 1HB SER 6 -21.225 -23.235 -4.596
25 HB3 SER 6 2HB SER 6 -20.587 -22.027 -5.712
26 HG SER 6 HG SER 6 -19.354 -23.081 -3.664
27 H GLY 7 H GLY 7 -19.756 -19.800 -3.775
28 HA2 GLY 7 1HA GLY 7 -19.125 -18.111 -5.537
29 HA3 GLY 7 2HA GLY 7 -20.791 -17.565 -5.407
30 H MET 8 H MET 8 -18.381 -18.445 -2.939
31 HA MET 8 HA MET 8 -18.853 -15.818 -1.700
32 HB2 MET 8 1HB MET 8 -17.969 -18.437 -0.484
33 HB3 MET 8 2HB MET 8 -17.993 -16.912 0.391
34 HG2 MET 8 1HG MET 8 -20.348 -18.373 -0.774
35 HG3 MET 8 2HG MET 8 -19.961 -18.157 0.931
36 HE1 MET 8 3HE MET 8 -20.169 -16.019 2.242
37 HE2 MET 8 1HE MET 8 -19.140 -15.066 1.173
38 HE3 MET 8 2HE MET 8 -20.736 -14.467 1.624
39 H GLY 9 H GLY 9 -17.306 -14.593 -2.732
40 HA2 GLY 9 1HA GLY 9 -14.563 -15.101 -1.882
41 HA3 GLY 9 2HA GLY 9 -14.844 -15.050 -3.616
42 H GLU 10 H GLU 10 -13.232 -13.289 -1.885
43 HA GLU 10 HA GLU 10 -14.475 -10.753 -2.693
44 HB2 GLU 10 1HB GLU 10 -14.835 -10.955 -0.300
45 HB3 GLU 10 2HB GLU 10 -13.134 -11.313 -0.044
46 HG2 GLU 10 1HG GLU 10 -12.841 -8.968 -1.234
47 HG3 GLU 10 2HG GLU 10 -14.469 -8.728 -0.600
48 H LYS 11 H LYS 11 -13.187 -10.122 -4.309
49 HA LYS 11 HA LYS 11 -10.684 -10.752 -5.000
50 HB2 LYS 11 1HB LYS 11 -12.361 -8.918 -5.921
51 HB3 LYS 11 2HB LYS 11 -11.291 -7.829 -5.047
52 HG2 LYS 11 1HG LYS 11 -10.419 -7.846 -7.194
53 HG3 LYS 11 2HG LYS 11 -9.394 -8.993 -6.328
54 HD2 LYS 11 1HD LYS 11 -11.033 -10.782 -7.180
55 HD3 LYS 11 2HD LYS 11 -11.579 -9.543 -8.312
56 HE2 LYS 11 1HE LYS 11 -8.994 -9.310 -8.770
57 HE3 LYS 11 2HE LYS 11 -8.964 -10.960 -8.150
58 HZ1 LYS 11 3HZ LYS 11 -9.996 -11.752 -9.965
59 HZ2 LYS 11 1HZ LYS 11 -9.409 -10.347 -10.701
60 HZ3 LYS 11 2HZ LYS 11 -11.002 -10.403 -10.137
61 H CYS 12 H CYS 12 -8.973 -11.039 -3.720
62 HA CYS 12 HA CYS 12 -8.460 -9.231 -1.505
63 HB2 CYS 12 1HB CYS 12 -8.170 -11.854 -1.598
64 HB3 CYS 12 2HB CYS 12 -6.593 -11.441 -2.259
65 HG CYS 12 HG CYS 12 -7.784 -10.465 0.798
66 H TYR 13 H TYR 13 -7.663 -7.322 -2.204
67 HA TYR 13 HA TYR 13 -5.883 -7.041 -4.395
68 HB2 TYR 13 1HB TYR 13 -6.942 -5.244 -2.263
69 HB3 TYR 13 2HB TYR 13 -5.518 -4.720 -3.155
70 HD1 TYR 13 HD1 TYR 13 -8.620 -6.521 -4.210
71 HD2 TYR 13 HD2 TYR 13 -6.143 -3.092 -4.670
72 HE1 TYR 13 HE1 TYR 13 -10.064 -5.730 -6.037
73 HE2 TYR 13 HE2 TYR 13 -7.581 -2.291 -6.497
74 HH TYR 13 HH TYR 13 -9.418 -3.897 -8.230
75 H LYS 14 H LYS 14 -3.962 -8.048 -4.288
76 HA LYS 14 HA LYS 14 -2.359 -7.785 -1.843
77 HB2 LYS 14 1HB LYS 14 -2.635 -10.066 -2.584
78 HB3 LYS 14 2HB LYS 14 -2.109 -9.648 -4.209
79 HG2 LYS 14 1HG LYS 14 0.124 -9.236 -3.449
80 HG3 LYS 14 2HG LYS 14 -0.367 -9.433 -1.764
81 HD2 LYS 14 1HD LYS 14 -1.155 -11.790 -2.579
82 HD3 LYS 14 2HD LYS 14 -0.021 -11.495 -3.899
83 HE2 LYS 14 1HE LYS 14 0.803 -11.127 -1.041
84 HE3 LYS 14 2HE LYS 14 0.815 -12.724 -1.788
85 HZ1 LYS 14 3HZ LYS 14 2.935 -11.992 -2.198
86 HZ2 LYS 14 1HZ LYS 14 2.474 -10.377 -2.402
87 HZ3 LYS 14 2HZ LYS 14 2.160 -11.507 -3.621
88 H CYS 15 H CYS 15 -0.202 -7.078 -1.925
89 HA CYS 15 HA CYS 15 0.379 -5.347 -4.226
90 HB2 CYS 15 1HB CYS 15 0.244 -4.279 -1.985
91 HB3 CYS 15 2HB CYS 15 1.586 -5.287 -1.453
92 H ASP 16 H ASP 16 1.801 -6.073 -5.648
93 HA ASP 16 HA ASP 16 3.502 -8.310 -5.088
94 HB2 ASP 16 1HB ASP 16 2.450 -7.873 -7.318
95 HB3 ASP 16 2HB ASP 16 3.533 -6.497 -7.508
96 H VAL 17 H VAL 17 3.843 -4.859 -5.077
97 HA VAL 17 HA VAL 17 6.559 -4.506 -5.428
98 HB VAL 17 HB VAL 17 4.846 -3.037 -3.418
99 HG11 VAL 17 1HG1 VAL 17 6.983 -2.326 -2.951
100 HG12 VAL 17 2HG1 VAL 17 7.535 -2.542 -4.613
101 HG13 VAL 17 3HG1 VAL 17 6.507 -1.171 -4.195
102 HG21 VAL 17 3HG2 VAL 17 4.434 -1.432 -5.230
103 HG22 VAL 17 1HG2 VAL 17 5.307 -2.481 -6.348
104 HG23 VAL 17 2HG2 VAL 17 3.799 -3.032 -5.616
105 H CYS 18 H CYS 18 4.889 -4.971 -2.307
106 HA CYS 18 HA CYS 18 7.447 -5.910 -1.187
107 HB2 CYS 18 1HB CYS 18 6.497 -5.282 1.028
108 HB3 CYS 18 2HB CYS 18 6.684 -3.912 -0.063
109 H GLY 19 H GLY 19 3.927 -6.422 -1.037
110 HA2 GLY 19 1HA GLY 19 3.358 -8.862 -1.448
111 HA3 GLY 19 2HA GLY 19 4.462 -9.175 -0.117
112 H LYS 20 H LYS 20 2.414 -6.375 -0.054
113 HA LYS 20 HA LYS 20 1.157 -7.304 2.364
114 HB2 LYS 20 1HB LYS 20 1.881 -4.866 1.618
115 HB3 LYS 20 2HB LYS 20 0.252 -4.833 0.956
116 HG2 LYS 20 1HG LYS 20 -0.735 -4.845 3.008
117 HG3 LYS 20 2HG LYS 20 0.589 -5.735 3.763
118 HD2 LYS 20 1HD LYS 20 0.940 -2.915 2.790
119 HD3 LYS 20 2HD LYS 20 0.288 -3.266 4.393
120 HE2 LYS 20 1HE LYS 20 2.858 -4.501 3.471
121 HE3 LYS 20 2HE LYS 20 2.829 -2.866 4.131
122 HZ1 LYS 20 3HZ LYS 20 1.359 -4.502 5.846
123 HZ2 LYS 20 1HZ LYS 20 2.838 -3.738 6.149
124 HZ3 LYS 20 2HZ LYS 20 2.810 -5.306 5.516
125 H GLU 21 H GLU 21 -1.309 -6.785 2.548
126 HA GLU 21 HA GLU 21 -2.819 -7.436 0.161
127 HB2 GLU 21 1HB GLU 21 -2.351 -9.364 2.376
128 HB3 GLU 21 2HB GLU 21 -3.973 -9.287 1.703
129 HG2 GLU 21 1HG GLU 21 -2.898 -9.594 -0.567
130 HG3 GLU 21 2HG GLU 21 -1.416 -9.992 0.301
131 H PHE 22 H PHE 22 -4.674 -6.349 0.173
132 HA PHE 22 HA PHE 22 -5.791 -5.515 2.768
133 HB2 PHE 22 1HB PHE 22 -5.862 -3.882 0.225
134 HB3 PHE 22 2HB PHE 22 -6.411 -3.383 1.822
135 HD1 PHE 22 HD1 PHE 22 -3.390 -4.365 -0.091
136 HD2 PHE 22 HD2 PHE 22 -4.954 -2.331 3.305
137 HE1 PHE 22 HE1 PHE 22 -1.158 -3.443 0.381
138 HE2 PHE 22 HE2 PHE 22 -2.725 -1.405 3.782
139 HZ PHE 22 HZ PHE 22 -0.824 -1.960 2.319
140 H SER 23 H SER 23 -8.144 -4.716 2.441
141 HA SER 23 HA SER 23 -9.532 -6.793 0.897
142 HB2 SER 23 1HB SER 23 -10.457 -5.112 3.237
143 HB3 SER 23 2HB SER 23 -11.476 -6.265 2.377
144 HG SER 23 HG SER 23 -10.149 -6.884 4.399
145 H GLN 24 H GLN 24 -9.451 -3.320 1.503
146 HA GLN 24 HA GLN 24 -11.459 -2.877 -0.576
147 HB2 GLN 24 1HB GLN 24 -11.290 -1.689 1.785
148 HB3 GLN 24 2HB GLN 24 -10.180 -0.634 0.920
149 HG2 GLN 24 1HG GLN 24 -12.116 0.498 0.588
150 HG3 GLN 24 2HG GLN 24 -12.154 -0.559 -0.823
151 HE21 GLN 24 1HE2 GLN 24 -14.184 0.754 1.107
152 HE22 GLN 24 2HE2 GLN 24 -15.302 -0.526 1.418
153 H SER 25 H SER 25 -10.929 -2.298 -2.576
154 HA SER 25 HA SER 25 -8.411 -2.344 -3.634
155 HB2 SER 25 1HB SER 25 -9.320 -1.089 -5.558
156 HB3 SER 25 2HB SER 25 -10.431 -2.347 -5.017
157 HG SER 25 HG SER 25 -10.861 0.279 -5.219
158 H SER 26 H SER 26 -10.051 0.369 -2.127
159 HA SER 26 HA SER 26 -8.168 2.353 -2.894
160 HB2 SER 26 1HB SER 26 -10.609 2.578 -1.934
161 HB3 SER 26 2HB SER 26 -9.777 2.595 -0.379
162 HG SER 26 HG SER 26 -9.818 4.491 -2.395
163 H HIS 27 H HIS 27 -8.553 0.345 -0.004
164 HA HIS 27 HA HIS 27 -6.669 1.422 1.669
165 HB2 HIS 27 1HB HIS 27 -7.514 -1.423 1.191
166 HB3 HIS 27 2HB HIS 27 -6.275 -1.041 2.382
167 HD1 HIS 27 HD1 HIS 27 -8.019 -2.018 4.144
168 HD2 HIS 27 HD2 HIS 27 -9.128 1.526 2.279
169 HE1 HIS 27 HE1 HIS 27 -9.886 -1.078 5.542
170 H LEU 28 H LEU 28 -6.111 -0.897 -0.960
171 HA LEU 28 HA LEU 28 -3.340 -1.187 -0.555
172 HB2 LEU 28 1HB LEU 28 -4.531 -2.781 -1.880
173 HB3 LEU 28 2HB LEU 28 -5.051 -1.531 -3.008
174 HG LEU 28 HG LEU 28 -2.684 -1.253 -3.709
175 HD11 LEU 28 1HD1 LEU 28 -2.303 -3.192 -1.537
176 HD12 LEU 28 2HD1 LEU 28 -1.191 -1.999 -2.207
177 HD13 LEU 28 3HD1 LEU 28 -1.419 -3.546 -3.022
178 HD21 LEU 28 3HD2 LEU 28 -2.583 -3.315 -5.017
179 HD22 LEU 28 1HD2 LEU 28 -4.218 -2.654 -4.987
180 HD23 LEU 28 2HD2 LEU 28 -3.809 -4.040 -3.976
181 H GLN 29 H GLN 29 -5.122 0.831 -2.891
182 HA GLN 29 HA GLN 29 -3.054 2.080 -4.163
183 HB2 GLN 29 1HB GLN 29 -5.816 2.910 -3.440
184 HB3 GLN 29 2HB GLN 29 -4.723 4.160 -4.018
185 HG2 GLN 29 1HG GLN 29 -4.292 2.765 -6.030
186 HG3 GLN 29 2HG GLN 29 -5.535 1.651 -5.463
187 HE21 GLN 29 1HE2 GLN 29 -5.479 3.170 -7.912
188 HE22 GLN 29 2HE2 GLN 29 -6.877 4.185 -7.900
189 H THR 30 H THR 30 -4.446 2.940 -1.023
190 HA THR 30 HA THR 30 -2.908 5.259 -0.588
191 HB THR 30 HB THR 30 -3.976 3.410 1.549
192 HG1 THR 30 HG1 THR 30 -5.648 3.992 0.109
193 HG21 THR 30 3HG2 THR 30 -4.277 5.838 2.573
194 HG22 THR 30 1HG2 THR 30 -2.933 6.195 1.489
195 HG23 THR 30 2HG2 THR 30 -2.761 4.951 2.727
196 H HIS 31 H HIS 31 -2.422 1.904 0.496
197 HA HIS 31 HA HIS 31 -0.088 2.268 1.949
198 HB2 HIS 31 1HB HIS 31 -0.939 0.144 2.204
199 HB3 HIS 31 2HB HIS 31 -1.300 -0.034 0.490
200 HD1 HIS 31 HD1 HIS 31 1.776 0.107 2.726
201 HD2 HIS 31 HD2 HIS 31 0.454 -1.633 -0.807
202 HE1 HIS 31 HE1 HIS 31 3.638 -1.414 1.988
203 H GLN 32 H GLN 32 -0.524 1.796 -1.522
204 HA GLN 32 HA GLN 32 2.080 1.390 -2.326
205 HB2 GLN 32 1HB GLN 32 -0.269 2.730 -3.609
206 HB3 GLN 32 2HB GLN 32 1.297 2.783 -4.408
207 HG2 GLN 32 1HG GLN 32 -0.144 0.273 -3.581
208 HG3 GLN 32 2HG GLN 32 -0.121 0.949 -5.209
209 HE21 GLN 32 1HE2 GLN 32 0.786 -1.643 -4.363
210 HE22 GLN 32 2HE2 GLN 32 2.467 -1.737 -4.746
211 H ARG 33 H ARG 33 0.727 4.173 -0.887
212 HA ARG 33 HA ARG 33 2.272 6.231 -1.949
213 HB2 ARG 33 1HB ARG 33 1.138 5.836 0.820
214 HB3 ARG 33 2HB ARG 33 1.934 7.321 0.315
215 HG2 ARG 33 1HG ARG 33 -0.410 6.180 -1.171
216 HG3 ARG 33 2HG ARG 33 -0.599 7.268 0.206
217 HD2 ARG 33 1HD ARG 33 0.895 7.861 -2.347
218 HD3 ARG 33 2HD ARG 33 -0.687 8.496 -1.896
219 HE ARG 33 HE ARG 33 1.888 9.362 -0.907
220 HH11 ARG 33 1HH1 ARG 33 -1.560 9.349 -0.427
221 HH12 ARG 33 2HH1 ARG 33 -1.558 10.765 0.572
222 HH21 ARG 33 1HH2 ARG 33 1.904 11.227 0.407
223 HH22 ARG 33 2HH2 ARG 33 0.414 11.833 1.045
224 H VAL 34 H VAL 34 3.067 3.779 0.418
225 HA VAL 34 HA VAL 34 5.468 4.978 1.357
226 HB VAL 34 HB VAL 34 5.996 2.786 2.303
227 HG11 VAL 34 1HG1 VAL 34 3.072 3.012 2.777
228 HG12 VAL 34 2HG1 VAL 34 4.400 2.869 3.931
229 HG13 VAL 34 3HG1 VAL 34 4.081 4.412 3.138
230 HG21 VAL 34 3HG2 VAL 34 4.268 1.873 0.195
231 HG22 VAL 34 1HG2 VAL 34 5.364 0.949 1.222
232 HG23 VAL 34 2HG2 VAL 34 3.711 1.261 1.752
233 H HIS 35 H HIS 35 4.665 2.941 -1.359
234 HA HIS 35 HA HIS 35 7.410 2.306 -1.980
235 HB2 HIS 35 1HB HIS 35 4.900 1.932 -3.629
236 HB3 HIS 35 2HB HIS 35 6.480 1.244 -3.993
237 HD1 HIS 35 HD1 HIS 35 6.999 0.438 -0.913
238 HD2 HIS 35 HD2 HIS 35 3.726 -0.571 -3.264
239 HE1 HIS 35 HE1 HIS 35 6.040 -1.642 0.126
240 H THR 36 H THR 36 5.101 4.757 -2.815
241 HA THR 36 HA THR 36 6.880 5.787 -4.914
242 HB THR 36 HB THR 36 4.658 5.583 -5.739
243 HG1 THR 36 HG1 THR 36 4.128 7.851 -6.060
244 HG21 THR 36 3HG2 THR 36 3.931 6.566 -3.053
245 HG22 THR 36 1HG2 THR 36 3.102 5.417 -4.102
246 HG23 THR 36 2HG2 THR 36 2.928 7.150 -4.381
247 H GLY 37 H GLY 37 7.727 7.845 -4.829
248 HA2 GLY 37 1HA GLY 37 7.162 10.039 -3.434
249 HA3 GLY 37 2HA GLY 37 7.834 9.025 -2.166
250 H GLU 38 H GLU 38 8.824 9.286 -5.560
251 HA GLU 38 HA GLU 38 11.495 10.080 -4.612
252 HB2 GLU 38 1HB GLU 38 10.549 8.361 -6.852
253 HB3 GLU 38 2HB GLU 38 12.019 9.292 -7.102
254 HG2 GLU 38 1HG GLU 38 12.604 7.108 -6.329
255 HG3 GLU 38 2HG GLU 38 12.965 8.276 -5.059
256 H LYS 39 H LYS 39 9.012 11.713 -5.363
257 HA LYS 39 HA LYS 39 9.571 13.132 -7.736
258 HB2 LYS 39 1HB LYS 39 7.800 13.492 -5.390
259 HB3 LYS 39 2HB LYS 39 8.190 14.949 -6.293
260 HG2 LYS 39 1HG LYS 39 7.106 14.228 -8.190
261 HG3 LYS 39 2HG LYS 39 7.254 12.524 -7.754
262 HD2 LYS 39 1HD LYS 39 5.026 12.878 -7.328
263 HD3 LYS 39 2HD LYS 39 5.718 13.238 -5.744
264 HE2 LYS 39 1HE LYS 39 4.290 15.028 -6.090
265 HE3 LYS 39 2HE LYS 39 5.843 15.669 -6.623
266 HZ1 LYS 39 3HZ LYS 39 5.167 15.015 -8.921
267 HZ2 LYS 39 1HZ LYS 39 4.242 16.258 -8.241
268 HZ3 LYS 39 2HZ LYS 39 3.620 14.688 -8.320
269 HA PRO 40 HA PRO 40 11.603 16.483 -4.917
270 HB2 PRO 40 1HB PRO 40 12.041 15.835 -2.317
271 HB3 PRO 40 2HB PRO 40 10.544 16.586 -2.881
272 HG2 PRO 40 1HG PRO 40 11.114 13.707 -2.291
273 HG3 PRO 40 2HG PRO 40 9.685 14.671 -1.878
274 HD2 PRO 40 1HD PRO 40 9.731 12.961 -3.976
275 HD3 PRO 40 2HD PRO 40 8.775 14.457 -3.985
276 H SER 41 H SER 41 13.311 15.707 -6.295
277 HA SER 41 HA SER 41 15.652 14.959 -4.842
278 HB2 SER 41 1HB SER 41 14.486 12.956 -6.791
279 HB3 SER 41 2HB SER 41 16.119 12.875 -6.130
280 HG SER 41 HG SER 41 15.252 12.597 -4.088
281 H GLY 42 H GLY 42 16.917 16.491 -5.688
282 HA2 GLY 42 1HA GLY 42 18.336 16.509 -7.889
283 HA3 GLY 42 2HA GLY 42 16.799 17.024 -8.568
284 HA PRO 43 HA PRO 43 17.701 21.200 -7.610
285 HB2 PRO 43 1HB PRO 43 15.260 22.181 -6.939
286 HB3 PRO 43 2HB PRO 43 15.703 21.757 -8.597
287 HG2 PRO 43 1HG PRO 43 14.126 20.184 -6.597
288 HG3 PRO 43 2HG PRO 43 13.818 20.422 -8.327
289 HD2 PRO 43 1HD PRO 43 14.956 18.169 -7.346
290 HD3 PRO 43 2HD PRO 43 15.354 18.820 -8.949
291 H SER 44 H SER 44 15.427 19.843 -5.216
292 HA SER 44 HA SER 44 16.930 21.261 -3.116
293 HB2 SER 44 1HB SER 44 14.844 21.116 -1.766
294 HB3 SER 44 2HB SER 44 14.632 22.042 -3.252
295 HG SER 44 HG SER 44 13.512 19.641 -2.485
296 H SER 45 H SER 45 18.455 19.567 -2.911
297 HA SER 45 HA SER 45 17.721 16.873 -2.413
298 HB2 SER 45 1HB SER 45 20.271 18.411 -1.895
299 HB3 SER 45 2HB SER 45 20.107 16.685 -1.572
300 HG SER 45 HG SER 45 19.325 17.576 -4.088
301 H GLY 46 H GLY 46 17.192 15.840 -0.579
302 HA2 GLY 46 1HA GLY 46 17.565 17.257 1.978
303 HA3 GLY 46 2HA GLY 46 15.988 16.606 1.556
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -4.213 -18.081 -19.533
2 HA2 GLY 1 1HA GLY 1 -1.589 -17.366 -18.390
3 HA3 GLY 1 2HA GLY 1 -3.093 -17.424 -17.483
4 H SER 2 H SER 2 -0.278 -18.923 -17.719
5 HA SER 2 HA SER 2 -0.585 -21.593 -18.128
6 HB2 SER 2 1HB SER 2 1.141 -21.936 -16.343
7 HB3 SER 2 2HB SER 2 1.563 -20.680 -17.507
8 HG SER 2 HG SER 2 1.340 -19.184 -16.003
9 H SER 3 H SER 3 -1.180 -19.964 -15.012
10 HA SER 3 HA SER 3 -3.003 -22.174 -14.321
11 HB2 SER 3 1HB SER 3 -0.727 -21.870 -13.023
12 HB3 SER 3 2HB SER 3 -1.618 -20.600 -12.184
13 HG SER 3 HG SER 3 -2.171 -23.368 -12.296
14 H GLY 4 H GLY 4 -4.576 -21.500 -12.538
15 HA2 GLY 4 1HA GLY 4 -5.907 -19.091 -13.443
16 HA3 GLY 4 2HA GLY 4 -6.531 -20.261 -12.290
17 H SER 5 H SER 5 -4.988 -17.249 -12.710
18 HA SER 5 HA SER 5 -4.314 -17.052 -9.865
19 HB2 SER 5 1HB SER 5 -2.570 -16.332 -11.415
20 HB3 SER 5 2HB SER 5 -3.685 -15.197 -12.176
21 HG SER 5 HG SER 5 -2.162 -14.408 -10.460
22 H SER 6 H SER 6 -5.919 -15.049 -12.345
23 HA SER 6 HA SER 6 -7.188 -13.356 -10.458
24 HB2 SER 6 1HB SER 6 -6.742 -12.699 -12.809
25 HB3 SER 6 2HB SER 6 -7.954 -13.864 -13.343
26 HG SER 6 HG SER 6 -8.410 -11.631 -11.649
27 H GLY 7 H GLY 7 -9.089 -13.520 -9.421
28 HA2 GLY 7 1HA GLY 7 -11.468 -14.375 -9.772
29 HA3 GLY 7 2HA GLY 7 -10.690 -15.941 -9.949
30 H MET 8 H MET 8 -11.072 -17.125 -8.204
31 HA MET 8 HA MET 8 -11.227 -17.790 -6.035
32 HB2 MET 8 1HB MET 8 -9.272 -15.531 -5.867
33 HB3 MET 8 2HB MET 8 -9.879 -16.251 -4.382
34 HG2 MET 8 1HG MET 8 -8.688 -17.921 -6.565
35 HG3 MET 8 2HG MET 8 -7.690 -17.140 -5.341
36 HE1 MET 8 3HE MET 8 -10.407 -19.770 -6.130
37 HE2 MET 8 1HE MET 8 -8.778 -20.438 -6.231
38 HE3 MET 8 2HE MET 8 -9.898 -21.030 -5.004
39 H GLY 9 H GLY 9 -13.362 -16.311 -7.009
40 HA2 GLY 9 1HA GLY 9 -15.109 -14.920 -6.393
41 HA3 GLY 9 2HA GLY 9 -14.937 -15.797 -4.879
42 H GLU 10 H GLU 10 -14.440 -14.674 -3.104
43 HA GLU 10 HA GLU 10 -14.579 -11.989 -2.848
44 HB2 GLU 10 1HB GLU 10 -13.041 -14.021 -1.264
45 HB3 GLU 10 2HB GLU 10 -12.962 -12.318 -0.833
46 HG2 GLU 10 1HG GLU 10 -15.416 -12.289 -0.618
47 HG3 GLU 10 2HG GLU 10 -15.441 -14.018 -0.962
48 H LYS 11 H LYS 11 -13.495 -10.345 -3.682
49 HA LYS 11 HA LYS 11 -11.084 -10.611 -5.106
50 HB2 LYS 11 1HB LYS 11 -11.093 -8.160 -5.214
51 HB3 LYS 11 2HB LYS 11 -12.685 -8.822 -5.566
52 HG2 LYS 11 1HG LYS 11 -13.594 -8.044 -3.602
53 HG3 LYS 11 2HG LYS 11 -12.032 -7.975 -2.782
54 HD2 LYS 11 1HD LYS 11 -12.645 -5.731 -3.188
55 HD3 LYS 11 2HD LYS 11 -11.423 -6.119 -4.401
56 HE2 LYS 11 1HE LYS 11 -12.989 -5.104 -5.723
57 HE3 LYS 11 2HE LYS 11 -13.538 -6.776 -5.828
58 HZ1 LYS 11 3HZ LYS 11 -14.884 -5.976 -3.694
59 HZ2 LYS 11 1HZ LYS 11 -15.489 -5.829 -5.267
60 HZ3 LYS 11 2HZ LYS 11 -14.773 -4.498 -4.508
61 H CYS 12 H CYS 12 -8.981 -10.262 -4.580
62 HA CYS 12 HA CYS 12 -8.373 -9.415 -1.833
63 HB2 CYS 12 1HB CYS 12 -7.288 -11.831 -3.281
64 HB3 CYS 12 2HB CYS 12 -6.505 -11.138 -1.866
65 HG CYS 12 HG CYS 12 -8.437 -13.517 -1.688
66 H TYR 13 H TYR 13 -7.554 -7.441 -2.310
67 HA TYR 13 HA TYR 13 -5.783 -7.021 -4.538
68 HB2 TYR 13 1HB TYR 13 -6.981 -5.319 -2.404
69 HB3 TYR 13 2HB TYR 13 -5.531 -4.731 -3.210
70 HD1 TYR 13 HD1 TYR 13 -8.542 -6.565 -4.457
71 HD2 TYR 13 HD2 TYR 13 -6.117 -3.078 -4.711
72 HE1 TYR 13 HE1 TYR 13 -9.918 -5.751 -6.326
73 HE2 TYR 13 HE2 TYR 13 -7.488 -2.253 -6.579
74 HH TYR 13 HH TYR 13 -8.982 -3.186 -8.317
75 H LYS 14 H LYS 14 -3.835 -7.963 -4.389
76 HA LYS 14 HA LYS 14 -2.335 -7.706 -1.875
77 HB2 LYS 14 1HB LYS 14 -2.619 -9.995 -2.720
78 HB3 LYS 14 2HB LYS 14 -1.860 -9.534 -4.238
79 HG2 LYS 14 1HG LYS 14 -0.355 -9.104 -1.710
80 HG3 LYS 14 2HG LYS 14 -0.506 -10.745 -2.344
81 HD2 LYS 14 1HD LYS 14 0.254 -9.674 -4.584
82 HD3 LYS 14 2HD LYS 14 0.832 -8.357 -3.561
83 HE2 LYS 14 1HE LYS 14 1.984 -10.223 -2.201
84 HE3 LYS 14 2HE LYS 14 1.709 -11.224 -3.627
85 HZ1 LYS 14 3HZ LYS 14 3.016 -9.768 -4.943
86 HZ2 LYS 14 1HZ LYS 14 3.911 -10.093 -3.545
87 HZ3 LYS 14 2HZ LYS 14 3.112 -8.612 -3.712
88 H CYS 15 H CYS 15 -0.574 -6.457 -1.756
89 HA CYS 15 HA CYS 15 0.102 -4.738 -3.930
90 HB2 CYS 15 1HB CYS 15 0.241 -3.983 -1.601
91 HB3 CYS 15 2HB CYS 15 1.496 -5.175 -1.281
92 H ASP 16 H ASP 16 1.250 -5.372 -5.625
93 HA ASP 16 HA ASP 16 3.084 -7.601 -5.447
94 HB2 ASP 16 1HB ASP 16 1.596 -7.292 -7.411
95 HB3 ASP 16 2HB ASP 16 2.463 -5.809 -7.804
96 H VAL 17 H VAL 17 3.880 -5.452 -3.843
97 HA VAL 17 HA VAL 17 6.365 -4.650 -5.205
98 HB VAL 17 HB VAL 17 4.794 -2.931 -3.279
99 HG11 VAL 17 1HG1 VAL 17 7.380 -2.464 -4.754
100 HG12 VAL 17 2HG1 VAL 17 6.462 -1.195 -3.940
101 HG13 VAL 17 3HG1 VAL 17 7.138 -2.531 -3.008
102 HG21 VAL 17 3HG2 VAL 17 3.923 -1.771 -5.024
103 HG22 VAL 17 1HG2 VAL 17 5.319 -2.069 -6.060
104 HG23 VAL 17 2HG2 VAL 17 4.105 -3.328 -5.832
105 H CYS 18 H CYS 18 4.793 -4.928 -2.019
106 HA CYS 18 HA CYS 18 7.396 -5.747 -0.906
107 HB2 CYS 18 1HB CYS 18 6.556 -4.981 1.274
108 HB3 CYS 18 2HB CYS 18 6.544 -3.679 0.089
109 H GLY 19 H GLY 19 3.931 -6.424 -0.960
110 HA2 GLY 19 1HA GLY 19 3.389 -8.844 -1.128
111 HA3 GLY 19 2HA GLY 19 4.529 -9.082 0.188
112 H LYS 20 H LYS 20 2.170 -6.476 -0.059
113 HA LYS 20 HA LYS 20 0.997 -7.390 2.463
114 HB2 LYS 20 1HB LYS 20 1.858 -4.960 1.911
115 HB3 LYS 20 2HB LYS 20 0.272 -4.793 1.170
116 HG2 LYS 20 1HG LYS 20 -0.824 -4.867 3.164
117 HG3 LYS 20 2HG LYS 20 0.405 -5.876 3.929
118 HD2 LYS 20 1HD LYS 20 1.881 -3.705 3.573
119 HD3 LYS 20 2HD LYS 20 0.298 -2.923 3.598
120 HE2 LYS 20 1HE LYS 20 1.070 -4.888 5.722
121 HE3 LYS 20 2HE LYS 20 1.602 -3.210 5.816
122 HZ1 LYS 20 3HZ LYS 20 -0.533 -2.454 6.096
123 HZ2 LYS 20 1HZ LYS 20 -0.610 -3.927 6.925
124 HZ3 LYS 20 2HZ LYS 20 -1.241 -3.803 5.361
125 H GLU 21 H GLU 21 -1.397 -7.041 2.710
126 HA GLU 21 HA GLU 21 -2.894 -7.428 0.227
127 HB2 GLU 21 1HB GLU 21 -2.576 -9.409 2.418
128 HB3 GLU 21 2HB GLU 21 -4.183 -9.235 1.726
129 HG2 GLU 21 1HG GLU 21 -3.062 -9.545 -0.538
130 HG3 GLU 21 2HG GLU 21 -1.650 -10.085 0.369
131 H PHE 22 H PHE 22 -4.817 -6.421 0.220
132 HA PHE 22 HA PHE 22 -5.880 -5.453 2.790
133 HB2 PHE 22 1HB PHE 22 -5.902 -3.915 0.185
134 HB3 PHE 22 2HB PHE 22 -6.503 -3.353 1.741
135 HD1 PHE 22 HD1 PHE 22 -3.465 -4.254 -0.144
136 HD2 PHE 22 HD2 PHE 22 -5.052 -2.411 3.349
137 HE1 PHE 22 HE1 PHE 22 -1.246 -3.320 0.368
138 HE2 PHE 22 HE2 PHE 22 -2.837 -1.474 3.866
139 HZ PHE 22 HZ PHE 22 -0.930 -1.927 2.374
140 H SER 23 H SER 23 -8.169 -5.106 2.859
141 HA SER 23 HA SER 23 -9.625 -7.126 1.452
142 HB2 SER 23 1HB SER 23 -11.544 -6.379 2.759
143 HB3 SER 23 2HB SER 23 -10.125 -6.501 3.800
144 HG SER 23 HG SER 23 -10.874 -4.550 4.303
145 H GLN 24 H GLN 24 -9.593 -3.580 1.398
146 HA GLN 24 HA GLN 24 -11.349 -3.622 -0.951
147 HB2 GLN 24 1HB GLN 24 -10.497 -1.336 0.833
148 HB3 GLN 24 2HB GLN 24 -11.555 -1.177 -0.562
149 HG2 GLN 24 1HG GLN 24 -12.302 -3.127 1.547
150 HG3 GLN 24 2HG GLN 24 -12.499 -1.408 1.886
151 HE21 GLN 24 1HE2 GLN 24 -13.445 -4.036 -0.221
152 HE22 GLN 24 2HE2 GLN 24 -14.897 -3.303 -0.803
153 H SER 25 H SER 25 -10.810 -1.756 -2.545
154 HA SER 25 HA SER 25 -8.197 -2.320 -3.593
155 HB2 SER 25 1HB SER 25 -8.905 -0.721 -5.411
156 HB3 SER 25 2HB SER 25 -9.990 -2.091 -5.173
157 HG SER 25 HG SER 25 -10.369 0.615 -4.572
158 H SER 26 H SER 26 -9.843 0.612 -2.425
159 HA SER 26 HA SER 26 -7.776 2.424 -2.757
160 HB2 SER 26 1HB SER 26 -9.680 2.444 -0.410
161 HB3 SER 26 2HB SER 26 -8.903 3.828 -1.179
162 HG SER 26 HG SER 26 -10.770 3.872 -2.193
163 H HIS 27 H HIS 27 -8.487 0.395 0.075
164 HA HIS 27 HA HIS 27 -6.618 1.206 1.863
165 HB2 HIS 27 1HB HIS 27 -7.370 -1.641 1.177
166 HB3 HIS 27 2HB HIS 27 -6.473 -1.177 2.619
167 HD1 HIS 27 HD1 HIS 27 -9.137 -2.588 2.955
168 HD2 HIS 27 HD2 HIS 27 -8.749 1.545 2.787
169 HE1 HIS 27 HE1 HIS 27 -11.177 -1.674 4.107
170 H LEU 28 H LEU 28 -6.037 -0.464 -1.135
171 HA LEU 28 HA LEU 28 -3.255 -0.991 -0.500
172 HB2 LEU 28 1HB LEU 28 -4.401 -2.646 -1.795
173 HB3 LEU 28 2HB LEU 28 -4.909 -1.441 -2.976
174 HG LEU 28 HG LEU 28 -2.586 -1.176 -3.703
175 HD11 LEU 28 1HD1 LEU 28 -2.087 -3.124 -1.488
176 HD12 LEU 28 2HD1 LEU 28 -1.243 -1.623 -1.869
177 HD13 LEU 28 3HD1 LEU 28 -1.007 -3.048 -2.881
178 HD21 LEU 28 3HD2 LEU 28 -2.584 -4.005 -4.016
179 HD22 LEU 28 1HD2 LEU 28 -3.041 -2.763 -5.181
180 HD23 LEU 28 2HD2 LEU 28 -4.251 -3.432 -4.086
181 H GLN 29 H GLN 29 -4.957 0.806 -3.072
182 HA GLN 29 HA GLN 29 -2.890 2.086 -4.272
183 HB2 GLN 29 1HB GLN 29 -4.428 3.523 -5.172
184 HB3 GLN 29 2HB GLN 29 -5.516 2.289 -4.551
185 HG2 GLN 29 1HG GLN 29 -6.524 4.214 -3.822
186 HG3 GLN 29 2HG GLN 29 -5.558 3.763 -2.419
187 HE21 GLN 29 1HE2 GLN 29 -6.501 6.349 -2.896
188 HE22 GLN 29 2HE2 GLN 29 -5.146 7.385 -3.167
189 H THR 30 H THR 30 -4.374 2.946 -1.192
190 HA THR 30 HA THR 30 -2.919 5.363 -0.830
191 HB THR 30 HB THR 30 -4.266 3.602 1.227
192 HG1 THR 30 HG1 THR 30 -5.754 5.595 0.978
193 HG21 THR 30 3HG2 THR 30 -2.446 5.509 1.796
194 HG22 THR 30 1HG2 THR 30 -3.824 5.140 2.831
195 HG23 THR 30 2HG2 THR 30 -3.905 6.494 1.704
196 H HIS 31 H HIS 31 -2.432 2.027 0.249
197 HA HIS 31 HA HIS 31 -0.162 2.565 1.859
198 HB2 HIS 31 1HB HIS 31 -1.085 0.526 2.397
199 HB3 HIS 31 2HB HIS 31 -1.440 0.123 0.719
200 HD1 HIS 31 HD1 HIS 31 1.364 0.084 3.225
201 HD2 HIS 31 HD2 HIS 31 0.526 -1.314 -0.597
202 HE1 HIS 31 HE1 HIS 31 3.241 -1.491 2.659
203 H GLN 32 H GLN 32 -0.603 1.850 -1.542
204 HA GLN 32 HA GLN 32 1.931 1.108 -2.314
205 HB2 GLN 32 1HB GLN 32 -0.254 2.638 -3.661
206 HB3 GLN 32 2HB GLN 32 1.310 2.512 -4.456
207 HG2 GLN 32 1HG GLN 32 1.129 0.028 -4.218
208 HG3 GLN 32 2HG GLN 32 -0.525 0.270 -3.660
209 HE21 GLN 32 1HE2 GLN 32 -0.418 -1.262 -5.729
210 HE22 GLN 32 2HE2 GLN 32 -0.828 -0.452 -7.199
211 H ARG 33 H ARG 33 0.822 4.205 -1.231
212 HA ARG 33 HA ARG 33 2.723 5.908 -2.323
213 HB2 ARG 33 1HB ARG 33 1.385 5.997 0.385
214 HB3 ARG 33 2HB ARG 33 2.332 7.317 -0.288
215 HG2 ARG 33 1HG ARG 33 0.699 7.147 -2.288
216 HG3 ARG 33 2HG ARG 33 -0.327 6.269 -1.152
217 HD2 ARG 33 1HD ARG 33 -1.066 8.416 -0.825
218 HD3 ARG 33 2HD ARG 33 0.188 8.309 0.409
219 HE ARG 33 HE ARG 33 1.557 9.301 -1.658
220 HH11 ARG 33 1HH1 ARG 33 -1.523 10.193 -0.303
221 HH12 ARG 33 2HH1 ARG 33 -1.381 11.862 -0.744
222 HH21 ARG 33 1HH2 ARG 33 1.756 11.496 -2.245
223 HH22 ARG 33 2HH2 ARG 33 0.484 12.603 -1.850
224 H VAL 34 H VAL 34 3.007 3.589 0.260
225 HA VAL 34 HA VAL 34 5.378 4.563 1.444
226 HB VAL 34 HB VAL 34 5.624 2.350 2.428
227 HG11 VAL 34 1HG1 VAL 34 3.955 3.926 3.346
228 HG12 VAL 34 2HG1 VAL 34 2.718 3.153 2.353
229 HG13 VAL 34 3HG1 VAL 34 3.530 2.237 3.623
230 HG21 VAL 34 3HG2 VAL 34 5.002 0.524 1.328
231 HG22 VAL 34 1HG2 VAL 34 3.313 1.014 1.475
232 HG23 VAL 34 2HG2 VAL 34 4.260 1.518 0.074
233 H HIS 35 H HIS 35 4.818 3.160 -1.579
234 HA HIS 35 HA HIS 35 7.662 2.436 -1.850
235 HB2 HIS 35 1HB HIS 35 5.440 1.472 -3.647
236 HB3 HIS 35 2HB HIS 35 7.077 0.838 -3.512
237 HD1 HIS 35 HD1 HIS 35 7.503 0.046 -0.772
238 HD2 HIS 35 HD2 HIS 35 3.716 -0.217 -2.461
239 HE1 HIS 35 HE1 HIS 35 6.253 -1.621 0.636
240 H THR 36 H THR 36 4.990 4.251 -3.171
241 HA THR 36 HA THR 36 5.924 4.981 -5.656
242 HB THR 36 HB THR 36 4.623 7.050 -5.435
243 HG1 THR 36 HG1 THR 36 5.286 7.162 -3.048
244 HG21 THR 36 3HG2 THR 36 3.573 4.708 -5.703
245 HG22 THR 36 1HG2 THR 36 2.518 6.050 -5.263
246 HG23 THR 36 2HG2 THR 36 3.057 4.910 -4.029
247 H GLY 37 H GLY 37 6.891 7.036 -6.373
248 HA2 GLY 37 1HA GLY 37 8.642 8.519 -6.411
249 HA3 GLY 37 2HA GLY 37 8.322 8.763 -4.700
250 H GLU 38 H GLU 38 10.871 8.976 -5.479
251 HA GLU 38 HA GLU 38 12.172 6.398 -5.021
252 HB2 GLU 38 1HB GLU 38 13.380 9.079 -5.726
253 HB3 GLU 38 2HB GLU 38 14.243 7.549 -5.644
254 HG2 GLU 38 1HG GLU 38 13.391 6.796 -7.614
255 HG3 GLU 38 2HG GLU 38 11.896 7.717 -7.448
256 H LYS 39 H LYS 39 11.587 6.219 -2.798
257 HA LYS 39 HA LYS 39 13.326 7.814 -1.050
258 HB2 LYS 39 1HB LYS 39 10.895 8.575 -0.990
259 HB3 LYS 39 2HB LYS 39 10.525 7.018 -0.261
260 HG2 LYS 39 1HG LYS 39 12.005 7.524 1.605
261 HG3 LYS 39 2HG LYS 39 12.414 9.075 0.869
262 HD2 LYS 39 1HD LYS 39 10.771 9.582 2.469
263 HD3 LYS 39 2HD LYS 39 9.910 9.571 0.928
264 HE2 LYS 39 1HE LYS 39 10.055 7.055 2.520
265 HE3 LYS 39 2HE LYS 39 8.948 8.325 3.038
266 HZ1 LYS 39 3HZ LYS 39 7.546 7.815 1.413
267 HZ2 LYS 39 1HZ LYS 39 8.474 6.431 1.117
268 HZ3 LYS 39 2HZ LYS 39 8.761 7.846 0.236
269 HA PRO 40 HA PRO 40 13.544 3.144 -0.429
270 HB2 PRO 40 1HB PRO 40 16.158 2.867 -1.105
271 HB3 PRO 40 2HB PRO 40 14.845 2.753 -2.282
272 HG2 PRO 40 1HG PRO 40 16.643 5.066 -1.669
273 HG3 PRO 40 2HG PRO 40 16.104 4.455 -3.244
274 HD2 PRO 40 1HD PRO 40 14.985 6.617 -2.060
275 HD3 PRO 40 2HD PRO 40 14.060 5.510 -3.095
276 H SER 41 H SER 41 14.650 5.955 0.884
277 HA SER 41 HA SER 41 15.512 6.508 2.917
278 HB2 SER 41 1HB SER 41 14.040 4.476 3.576
279 HB3 SER 41 2HB SER 41 15.567 3.601 3.691
280 HG SER 41 HG SER 41 16.257 5.234 5.180
281 H GLY 42 H GLY 42 17.261 6.101 0.760
282 HA2 GLY 42 1HA GLY 42 19.734 6.384 1.688
283 HA3 GLY 42 2HA GLY 42 19.556 4.640 1.810
284 HA PRO 43 HA PRO 43 19.452 5.916 -2.887
285 HB2 PRO 43 1HB PRO 43 20.650 8.293 -3.422
286 HB3 PRO 43 2HB PRO 43 18.917 8.139 -3.108
287 HG2 PRO 43 1HG PRO 43 21.111 8.986 -1.254
288 HG3 PRO 43 2HG PRO 43 19.492 9.680 -1.464
289 HD2 PRO 43 1HD PRO 43 20.107 8.009 0.576
290 HD3 PRO 43 2HD PRO 43 18.493 8.064 -0.160
291 H SER 44 H SER 44 22.166 7.278 -1.020
292 HA SER 44 HA SER 44 24.130 6.343 -2.888
293 HB2 SER 44 1HB SER 44 24.172 7.768 -0.268
294 HB3 SER 44 2HB SER 44 25.642 6.941 -0.779
295 HG SER 44 HG SER 44 25.606 9.091 -1.522
296 H SER 45 H SER 45 23.063 5.350 0.346
297 HA SER 45 HA SER 45 24.281 2.720 -0.154
298 HB2 SER 45 1HB SER 45 25.611 4.170 1.471
299 HB3 SER 45 2HB SER 45 24.244 4.014 2.574
300 HG SER 45 HG SER 45 24.691 1.595 1.871
301 H GLY 46 H GLY 46 22.830 1.143 -0.057
302 HA2 GLY 46 1HA GLY 46 21.074 0.532 1.928
303 HA3 GLY 46 2HA GLY 46 20.171 1.657 0.925
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -6.071 -24.304 10.076
2 HA2 GLY 1 1HA GLY 1 -7.054 -26.547 9.544
3 HA3 GLY 1 2HA GLY 1 -8.613 -25.794 9.847
4 H SER 2 H SER 2 -9.690 -25.125 8.121
5 HA SER 2 HA SER 2 -10.146 -24.842 5.886
6 HB2 SER 2 1HB SER 2 -9.169 -22.801 4.985
7 HB3 SER 2 2HB SER 2 -9.545 -22.570 6.692
8 HG SER 2 HG SER 2 -7.219 -22.244 5.496
9 H SER 3 H SER 3 -8.512 -27.057 6.221
10 HA SER 3 HA SER 3 -6.408 -26.857 4.209
11 HB2 SER 3 1HB SER 3 -6.088 -28.076 6.418
12 HB3 SER 3 2HB SER 3 -7.182 -29.310 5.793
13 HG SER 3 HG SER 3 -5.722 -29.856 4.272
14 H GLY 4 H GLY 4 -8.961 -26.488 3.179
15 HA2 GLY 4 1HA GLY 4 -9.068 -27.965 0.924
16 HA3 GLY 4 2HA GLY 4 -9.907 -28.993 2.077
17 H SER 5 H SER 5 -9.890 -25.485 1.436
18 HA SER 5 HA SER 5 -12.720 -25.608 0.747
19 HB2 SER 5 1HB SER 5 -12.412 -25.225 3.279
20 HB3 SER 5 2HB SER 5 -11.821 -23.626 2.830
21 HG SER 5 HG SER 5 -13.898 -23.201 2.943
22 H SER 6 H SER 6 -13.138 -24.323 -0.924
23 HA SER 6 HA SER 6 -11.142 -22.296 -1.649
24 HB2 SER 6 1HB SER 6 -13.093 -23.938 -3.225
25 HB3 SER 6 2HB SER 6 -12.513 -22.408 -3.883
26 HG SER 6 HG SER 6 -10.403 -23.194 -3.730
27 H GLY 7 H GLY 7 -11.614 -20.277 -1.103
28 HA2 GLY 7 1HA GLY 7 -14.451 -19.447 -1.170
29 HA3 GLY 7 2HA GLY 7 -13.307 -18.856 0.027
30 H MET 8 H MET 8 -13.679 -19.047 -3.514
31 HA MET 8 HA MET 8 -12.148 -16.593 -3.817
32 HB2 MET 8 1HB MET 8 -13.219 -18.666 -5.694
33 HB3 MET 8 2HB MET 8 -12.776 -17.082 -6.316
34 HG2 MET 8 1HG MET 8 -10.543 -17.521 -5.049
35 HG3 MET 8 2HG MET 8 -11.051 -19.206 -5.140
36 HE1 MET 8 3HE MET 8 -8.945 -16.547 -7.314
37 HE2 MET 8 1HE MET 8 -10.157 -16.362 -8.582
38 HE3 MET 8 2HE MET 8 -10.565 -15.977 -6.910
39 H GLY 9 H GLY 9 -13.127 -15.105 -5.665
40 HA2 GLY 9 1HA GLY 9 -15.312 -14.292 -6.520
41 HA3 GLY 9 2HA GLY 9 -15.925 -14.546 -4.893
42 H GLU 10 H GLU 10 -14.937 -13.236 -3.160
43 HA GLU 10 HA GLU 10 -15.017 -10.508 -3.775
44 HB2 GLU 10 1HB GLU 10 -13.927 -11.962 -1.365
45 HB3 GLU 10 2HB GLU 10 -14.053 -10.211 -1.459
46 HG2 GLU 10 1HG GLU 10 -16.548 -10.717 -2.039
47 HG3 GLU 10 2HG GLU 10 -16.204 -12.258 -1.256
48 H LYS 11 H LYS 11 -13.522 -9.047 -4.355
49 HA LYS 11 HA LYS 11 -11.036 -9.875 -5.389
50 HB2 LYS 11 1HB LYS 11 -12.179 -7.157 -4.762
51 HB3 LYS 11 2HB LYS 11 -10.580 -7.362 -5.466
52 HG2 LYS 11 1HG LYS 11 -11.902 -8.812 -7.218
53 HG3 LYS 11 2HG LYS 11 -13.258 -7.827 -6.666
54 HD2 LYS 11 1HD LYS 11 -12.483 -6.506 -8.364
55 HD3 LYS 11 2HD LYS 11 -11.523 -5.867 -7.028
56 HE2 LYS 11 1HE LYS 11 -9.956 -6.189 -8.720
57 HE3 LYS 11 2HE LYS 11 -9.779 -7.626 -7.716
58 HZ1 LYS 11 3HZ LYS 11 -10.276 -7.546 -10.424
59 HZ2 LYS 11 1HZ LYS 11 -11.737 -8.037 -9.726
60 HZ3 LYS 11 2HZ LYS 11 -10.320 -8.909 -9.423
61 H CYS 12 H CYS 12 -9.057 -10.021 -4.519
62 HA CYS 12 HA CYS 12 -8.709 -9.068 -1.752
63 HB2 CYS 12 1HB CYS 12 -8.725 -11.616 -2.258
64 HB3 CYS 12 2HB CYS 12 -7.122 -11.332 -2.928
65 HG CYS 12 HG CYS 12 -6.176 -12.012 -0.610
66 H TYR 13 H TYR 13 -8.089 -7.053 -2.972
67 HA TYR 13 HA TYR 13 -5.941 -6.746 -4.638
68 HB2 TYR 13 1HB TYR 13 -7.182 -5.029 -2.548
69 HB3 TYR 13 2HB TYR 13 -5.620 -4.528 -3.185
70 HD1 TYR 13 HD1 TYR 13 -8.360 -6.228 -5.028
71 HD2 TYR 13 HD2 TYR 13 -6.192 -2.617 -4.425
72 HE1 TYR 13 HE1 TYR 13 -9.480 -5.236 -6.980
73 HE2 TYR 13 HE2 TYR 13 -7.307 -1.615 -6.374
74 HH TYR 13 HH TYR 13 -9.748 -2.179 -7.590
75 H LYS 14 H LYS 14 -3.872 -7.270 -4.512
76 HA LYS 14 HA LYS 14 -2.558 -7.257 -1.880
77 HB2 LYS 14 1HB LYS 14 -3.066 -9.579 -2.544
78 HB3 LYS 14 2HB LYS 14 -2.174 -9.339 -4.040
79 HG2 LYS 14 1HG LYS 14 -0.175 -8.784 -2.554
80 HG3 LYS 14 2HG LYS 14 -1.122 -9.479 -1.237
81 HD2 LYS 14 1HD LYS 14 -1.061 -11.605 -2.142
82 HD3 LYS 14 2HD LYS 14 -0.777 -11.011 -3.780
83 HE2 LYS 14 1HE LYS 14 1.478 -10.711 -3.421
84 HE3 LYS 14 2HE LYS 14 1.284 -10.526 -1.679
85 HZ1 LYS 14 3HZ LYS 14 0.814 -13.100 -3.066
86 HZ2 LYS 14 1HZ LYS 14 1.019 -12.831 -1.408
87 HZ3 LYS 14 2HZ LYS 14 2.331 -12.659 -2.461
88 H CYS 15 H CYS 15 -0.370 -6.692 -1.862
89 HA CYS 15 HA CYS 15 0.488 -5.207 -4.234
90 HB2 CYS 15 1HB CYS 15 0.438 -4.010 -2.078
91 HB3 CYS 15 2HB CYS 15 1.584 -5.169 -1.413
92 H ASP 16 H ASP 16 2.183 -5.791 -5.447
93 HA ASP 16 HA ASP 16 3.521 -8.297 -4.806
94 HB2 ASP 16 1HB ASP 16 2.533 -7.566 -7.122
95 HB3 ASP 16 2HB ASP 16 4.064 -6.711 -7.291
96 H VAL 17 H VAL 17 4.154 -4.894 -4.884
97 HA VAL 17 HA VAL 17 6.903 -4.790 -5.175
98 HB VAL 17 HB VAL 17 5.204 -3.100 -3.334
99 HG11 VAL 17 1HG1 VAL 17 7.217 -1.493 -4.152
100 HG12 VAL 17 2HG1 VAL 17 7.228 -2.399 -2.638
101 HG13 VAL 17 3HG1 VAL 17 8.055 -3.041 -4.057
102 HG21 VAL 17 3HG2 VAL 17 4.315 -2.263 -5.192
103 HG22 VAL 17 1HG2 VAL 17 5.920 -1.699 -5.660
104 HG23 VAL 17 2HG2 VAL 17 5.351 -3.281 -6.194
105 H CYS 18 H CYS 18 5.081 -5.059 -2.120
106 HA CYS 18 HA CYS 18 7.531 -6.094 -0.855
107 HB2 CYS 18 1HB CYS 18 6.518 -5.372 1.294
108 HB3 CYS 18 2HB CYS 18 6.789 -4.034 0.183
109 H GLY 19 H GLY 19 4.005 -6.482 -1.000
110 HA2 GLY 19 1HA GLY 19 3.261 -8.831 -1.342
111 HA3 GLY 19 2HA GLY 19 4.381 -9.259 -0.058
112 H LYS 20 H LYS 20 2.136 -6.524 -0.202
113 HA LYS 20 HA LYS 20 1.040 -7.350 2.371
114 HB2 LYS 20 1HB LYS 20 1.781 -4.928 1.588
115 HB3 LYS 20 2HB LYS 20 0.138 -4.878 0.963
116 HG2 LYS 20 1HG LYS 20 -0.231 -4.015 3.026
117 HG3 LYS 20 2HG LYS 20 -0.427 -5.728 3.404
118 HD2 LYS 20 1HD LYS 20 2.157 -5.607 3.842
119 HD3 LYS 20 2HD LYS 20 1.832 -3.884 4.043
120 HE2 LYS 20 1HE LYS 20 1.722 -4.957 6.192
121 HE3 LYS 20 2HE LYS 20 0.100 -4.454 5.720
122 HZ1 LYS 20 3HZ LYS 20 1.021 -7.035 6.366
123 HZ2 LYS 20 1HZ LYS 20 0.469 -7.039 4.767
124 HZ3 LYS 20 2HZ LYS 20 -0.556 -6.533 6.013
125 H GLU 21 H GLU 21 -1.295 -7.286 2.735
126 HA GLU 21 HA GLU 21 -2.878 -7.861 0.326
127 HB2 GLU 21 1HB GLU 21 -2.426 -9.587 2.701
128 HB3 GLU 21 2HB GLU 21 -4.058 -9.539 2.049
129 HG2 GLU 21 1HG GLU 21 -2.998 -10.052 -0.206
130 HG3 GLU 21 2HG GLU 21 -1.539 -10.444 0.701
131 H PHE 22 H PHE 22 -4.750 -6.798 0.242
132 HA PHE 22 HA PHE 22 -5.875 -5.731 2.744
133 HB2 PHE 22 1HB PHE 22 -5.980 -4.218 0.142
134 HB3 PHE 22 2HB PHE 22 -6.300 -3.621 1.767
135 HD1 PHE 22 HD1 PHE 22 -3.661 -4.687 -0.570
136 HD2 PHE 22 HD2 PHE 22 -4.549 -2.835 3.158
137 HE1 PHE 22 HE1 PHE 22 -1.331 -3.917 -0.401
138 HE2 PHE 22 HE2 PHE 22 -2.220 -2.061 3.332
139 HZ PHE 22 HZ PHE 22 -0.608 -2.601 1.551
140 H SER 23 H SER 23 -8.179 -5.215 2.619
141 HA SER 23 HA SER 23 -9.584 -7.248 1.090
142 HB2 SER 23 1HB SER 23 -10.158 -7.047 3.438
143 HB3 SER 23 2HB SER 23 -10.528 -5.335 3.238
144 HG SER 23 HG SER 23 -12.029 -7.562 2.592
145 H GLN 24 H GLN 24 -9.556 -3.726 1.443
146 HA GLN 24 HA GLN 24 -11.381 -3.495 -0.840
147 HB2 GLN 24 1HB GLN 24 -10.478 -1.492 1.229
148 HB3 GLN 24 2HB GLN 24 -11.450 -1.062 -0.172
149 HG2 GLN 24 1HG GLN 24 -13.183 -2.648 0.596
150 HG3 GLN 24 2HG GLN 24 -12.222 -2.947 2.043
151 HE21 GLN 24 1HE2 GLN 24 -14.925 -1.745 1.575
152 HE22 GLN 24 2HE2 GLN 24 -14.882 -0.235 2.413
153 H SER 25 H SER 25 -10.895 -1.662 -2.371
154 HA SER 25 HA SER 25 -8.256 -2.039 -3.430
155 HB2 SER 25 1HB SER 25 -9.033 -0.486 -5.222
156 HB3 SER 25 2HB SER 25 -10.124 -1.847 -4.965
157 HG SER 25 HG SER 25 -11.285 0.095 -5.113
158 H SER 26 H SER 26 -10.054 0.893 -2.475
159 HA SER 26 HA SER 26 -8.148 2.795 -2.662
160 HB2 SER 26 1HB SER 26 -9.252 4.005 -0.864
161 HB3 SER 26 2HB SER 26 -10.465 3.178 -1.840
162 HG SER 26 HG SER 26 -10.720 2.963 0.484
163 H HIS 27 H HIS 27 -8.439 0.433 -0.049
164 HA HIS 27 HA HIS 27 -6.514 1.394 1.693
165 HB2 HIS 27 1HB HIS 27 -7.442 -1.393 1.045
166 HB3 HIS 27 2HB HIS 27 -6.178 -1.113 2.240
167 HD1 HIS 27 HD1 HIS 27 -7.156 -1.240 4.496
168 HD2 HIS 27 HD2 HIS 27 -9.742 0.586 1.806
169 HE1 HIS 27 HE1 HIS 27 -9.177 -0.587 5.843
170 H LEU 28 H LEU 28 -6.078 -0.848 -1.035
171 HA LEU 28 HA LEU 28 -3.306 -1.187 -0.740
172 HB2 LEU 28 1HB LEU 28 -4.530 -2.711 -2.094
173 HB3 LEU 28 2HB LEU 28 -5.120 -1.413 -3.130
174 HG LEU 28 HG LEU 28 -2.867 -1.097 -4.025
175 HD11 LEU 28 1HD1 LEU 28 -2.142 -2.679 -1.747
176 HD12 LEU 28 2HD1 LEU 28 -1.112 -1.768 -2.850
177 HD13 LEU 28 3HD1 LEU 28 -1.545 -3.436 -3.224
178 HD21 LEU 28 3HD2 LEU 28 -4.342 -2.619 -5.185
179 HD22 LEU 28 1HD2 LEU 28 -3.864 -3.942 -4.121
180 HD23 LEU 28 2HD2 LEU 28 -2.692 -3.241 -5.237
181 H GLN 29 H GLN 29 -5.107 0.949 -2.956
182 HA GLN 29 HA GLN 29 -3.014 2.216 -4.196
183 HB2 GLN 29 1HB GLN 29 -5.738 3.184 -3.386
184 HB3 GLN 29 2HB GLN 29 -4.610 4.263 -4.196
185 HG2 GLN 29 1HG GLN 29 -4.562 2.902 -6.133
186 HG3 GLN 29 2HG GLN 29 -5.415 1.595 -5.315
187 HE21 GLN 29 1HE2 GLN 29 -7.505 1.453 -5.685
188 HE22 GLN 29 2HE2 GLN 29 -8.529 2.725 -6.248
189 H THR 30 H THR 30 -4.470 3.031 -1.068
190 HA THR 30 HA THR 30 -2.921 5.324 -0.557
191 HB THR 30 HB THR 30 -4.091 3.433 1.492
192 HG1 THR 30 HG1 THR 30 -5.594 4.304 -0.128
193 HG21 THR 30 3HG2 THR 30 -4.298 5.830 2.621
194 HG22 THR 30 1HG2 THR 30 -2.897 6.152 1.600
195 HG23 THR 30 2HG2 THR 30 -2.844 4.846 2.784
196 H HIS 31 H HIS 31 -2.431 1.917 0.289
197 HA HIS 31 HA HIS 31 -0.166 2.200 1.886
198 HB2 HIS 31 1HB HIS 31 -1.058 0.063 1.939
199 HB3 HIS 31 2HB HIS 31 -1.256 -0.011 0.191
200 HD1 HIS 31 HD1 HIS 31 1.593 0.014 2.713
201 HD2 HIS 31 HD2 HIS 31 0.641 -1.497 -1.038
202 HE1 HIS 31 HE1 HIS 31 3.541 -1.436 2.058
203 H GLN 32 H GLN 32 -0.371 1.626 -1.621
204 HA GLN 32 HA GLN 32 2.236 1.413 -2.326
205 HB2 GLN 32 1HB GLN 32 0.100 3.031 -3.722
206 HB3 GLN 32 2HB GLN 32 1.643 2.600 -4.449
207 HG2 GLN 32 1HG GLN 32 -0.036 0.419 -3.340
208 HG3 GLN 32 2HG GLN 32 -0.540 1.177 -4.850
209 HE21 GLN 32 1HE2 GLN 32 -0.071 -0.311 -6.334
210 HE22 GLN 32 2HE2 GLN 32 1.488 -1.013 -6.582
211 H ARG 33 H ARG 33 0.655 4.245 -1.089
212 HA ARG 33 HA ARG 33 2.144 6.353 -1.891
213 HB2 ARG 33 1HB ARG 33 1.096 5.663 0.842
214 HB3 ARG 33 2HB ARG 33 1.945 7.174 0.550
215 HG2 ARG 33 1HG ARG 33 -0.478 6.311 -1.006
216 HG3 ARG 33 2HG ARG 33 -0.551 7.306 0.449
217 HD2 ARG 33 1HD ARG 33 1.074 8.033 -1.980
218 HD3 ARG 33 2HD ARG 33 -0.590 8.561 -1.734
219 HE ARG 33 HE ARG 33 0.129 10.000 -0.060
220 HH11 ARG 33 1HH1 ARG 33 2.749 8.017 -1.210
221 HH12 ARG 33 2HH1 ARG 33 3.978 8.970 -0.446
222 HH21 ARG 33 1HH2 ARG 33 1.737 11.262 0.950
223 HH22 ARG 33 2HH2 ARG 33 3.401 10.815 0.783
224 H VAL 34 H VAL 34 3.176 3.794 0.274
225 HA VAL 34 HA VAL 34 5.595 5.042 1.111
226 HB VAL 34 HB VAL 34 6.216 2.923 2.042
227 HG11 VAL 34 1HG1 VAL 34 4.707 3.142 3.658
228 HG12 VAL 34 2HG1 VAL 34 3.791 4.208 2.591
229 HG13 VAL 34 3HG1 VAL 34 3.436 2.480 2.630
230 HG21 VAL 34 3HG2 VAL 34 5.694 1.529 0.095
231 HG22 VAL 34 1HG2 VAL 34 5.004 0.861 1.574
232 HG23 VAL 34 2HG2 VAL 34 3.972 1.713 0.425
233 H HIS 35 H HIS 35 4.753 2.785 -1.472
234 HA HIS 35 HA HIS 35 7.475 2.468 -2.342
235 HB2 HIS 35 1HB HIS 35 4.908 1.744 -3.769
236 HB3 HIS 35 2HB HIS 35 6.523 1.185 -4.190
237 HD1 HIS 35 HD1 HIS 35 7.555 0.329 -1.445
238 HD2 HIS 35 HD2 HIS 35 3.738 -0.525 -2.844
239 HE1 HIS 35 HE1 HIS 35 6.795 -1.683 -0.141
240 H THR 36 H THR 36 4.843 4.611 -3.037
241 HA THR 36 HA THR 36 6.245 5.696 -5.374
242 HB THR 36 HB THR 36 3.858 5.193 -5.680
243 HG1 THR 36 HG1 THR 36 5.064 7.268 -6.468
244 HG21 THR 36 3HG2 THR 36 2.334 6.993 -4.486
245 HG22 THR 36 1HG2 THR 36 3.612 6.931 -3.274
246 HG23 THR 36 2HG2 THR 36 2.731 5.464 -3.701
247 H GLY 37 H GLY 37 6.784 7.888 -5.530
248 HA2 GLY 37 1HA GLY 37 7.572 9.105 -3.064
249 HA3 GLY 37 2HA GLY 37 7.764 9.790 -4.671
250 H GLU 38 H GLU 38 7.135 11.848 -3.965
251 HA GLU 38 HA GLU 38 4.337 12.104 -3.101
252 HB2 GLU 38 1HB GLU 38 6.208 13.111 -1.705
253 HB3 GLU 38 2HB GLU 38 6.445 14.258 -3.017
254 HG2 GLU 38 1HG GLU 38 4.222 15.121 -2.736
255 HG3 GLU 38 2HG GLU 38 3.856 13.888 -1.531
256 H LYS 39 H LYS 39 2.968 13.631 -4.098
257 HA LYS 39 HA LYS 39 1.966 14.386 -6.024
258 HB2 LYS 39 1HB LYS 39 4.518 15.944 -5.743
259 HB3 LYS 39 2HB LYS 39 3.411 16.276 -7.068
260 HG2 LYS 39 1HG LYS 39 1.614 16.648 -5.384
261 HG3 LYS 39 2HG LYS 39 2.838 16.491 -4.122
262 HD2 LYS 39 1HD LYS 39 3.246 18.434 -6.358
263 HD3 LYS 39 2HD LYS 39 2.180 18.853 -5.015
264 HE2 LYS 39 1HE LYS 39 4.406 19.683 -4.576
265 HE3 LYS 39 2HE LYS 39 4.024 18.386 -3.445
266 HZ1 LYS 39 3HZ LYS 39 5.390 17.645 -5.917
267 HZ2 LYS 39 1HZ LYS 39 5.559 17.014 -4.356
268 HZ3 LYS 39 2HZ LYS 39 6.297 18.481 -4.759
269 HA PRO 40 HA PRO 40 4.733 11.737 -8.802
270 HB2 PRO 40 1HB PRO 40 3.080 9.591 -8.963
271 HB3 PRO 40 2HB PRO 40 4.324 9.753 -7.718
272 HG2 PRO 40 1HG PRO 40 1.387 10.304 -7.543
273 HG3 PRO 40 2HG PRO 40 2.443 9.485 -6.378
274 HD2 PRO 40 1HD PRO 40 1.680 12.066 -6.088
275 HD3 PRO 40 2HD PRO 40 3.255 11.468 -5.529
276 H SER 41 H SER 41 1.210 12.144 -8.705
277 HA SER 41 HA SER 41 1.085 12.079 -11.620
278 HB2 SER 41 1HB SER 41 -1.344 12.090 -11.329
279 HB3 SER 41 2HB SER 41 -0.616 10.837 -10.323
280 HG SER 41 HG SER 41 -0.662 12.581 -8.635
281 H GLY 42 H GLY 42 0.644 14.295 -8.922
282 HA2 GLY 42 1HA GLY 42 1.294 16.580 -10.407
283 HA3 GLY 42 2HA GLY 42 -0.458 16.453 -10.357
284 HA PRO 43 HA PRO 43 0.926 18.823 -6.623
285 HB2 PRO 43 1HB PRO 43 -0.943 20.775 -6.881
286 HB3 PRO 43 2HB PRO 43 0.624 20.831 -7.697
287 HG2 PRO 43 1HG PRO 43 -2.044 20.003 -8.773
288 HG3 PRO 43 2HG PRO 43 -0.795 21.009 -9.531
289 HD2 PRO 43 1HD PRO 43 -1.129 18.392 -10.143
290 HD3 PRO 43 2HD PRO 43 0.459 19.185 -10.175
291 H SER 44 H SER 44 -1.594 16.908 -7.529
292 HA SER 44 HA SER 44 -3.650 17.503 -5.731
293 HB2 SER 44 1HB SER 44 -4.411 15.217 -6.086
294 HB3 SER 44 2HB SER 44 -3.850 15.895 -7.614
295 HG SER 44 HG SER 44 -2.167 14.354 -5.946
296 H SER 45 H SER 45 -2.385 18.145 -3.844
297 HA SER 45 HA SER 45 -2.408 16.178 -1.831
298 HB2 SER 45 1HB SER 45 -0.120 15.764 -1.409
299 HB3 SER 45 2HB SER 45 -0.288 15.576 -3.154
300 HG SER 45 HG SER 45 0.949 17.256 -3.451
301 H GLY 46 H GLY 46 -1.531 17.022 0.259
302 HA2 GLY 46 1HA GLY 46 -1.416 18.677 1.845
303 HA3 GLY 46 2HA GLY 46 -0.724 19.695 0.590
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -24.739 -26.103 -4.386
2 HA2 GLY 1 1HA GLY 1 -23.600 -24.420 -5.454
3 HA3 GLY 1 2HA GLY 1 -25.144 -23.581 -5.459
4 H SER 2 H SER 2 -22.696 -24.428 -3.004
5 HA SER 2 HA SER 2 -22.573 -21.584 -2.274
6 HB2 SER 2 1HB SER 2 -22.743 -23.878 -0.304
7 HB3 SER 2 2HB SER 2 -22.548 -22.175 0.108
8 HG SER 2 HG SER 2 -24.656 -22.226 0.155
9 H SER 3 H SER 3 -20.562 -20.860 -2.354
10 HA SER 3 HA SER 3 -18.359 -22.770 -1.918
11 HB2 SER 3 1HB SER 3 -18.521 -22.011 -4.270
12 HB3 SER 3 2HB SER 3 -18.351 -20.342 -3.727
13 HG SER 3 HG SER 3 -16.359 -21.277 -4.418
14 H GLY 4 H GLY 4 -17.256 -22.380 -0.124
15 HA2 GLY 4 1HA GLY 4 -15.973 -21.160 1.384
16 HA3 GLY 4 2HA GLY 4 -16.450 -19.686 0.556
17 H SER 5 H SER 5 -16.577 -18.950 2.852
18 HA SER 5 HA SER 5 -19.269 -19.502 3.912
19 HB2 SER 5 1HB SER 5 -18.418 -19.306 6.183
20 HB3 SER 5 2HB SER 5 -17.514 -20.554 5.326
21 HG SER 5 HG SER 5 -15.839 -19.448 5.946
22 H SER 6 H SER 6 -16.561 -17.198 3.927
23 HA SER 6 HA SER 6 -18.535 -15.016 3.930
24 HB2 SER 6 1HB SER 6 -17.248 -15.458 6.163
25 HB3 SER 6 2HB SER 6 -15.898 -14.691 5.327
26 HG SER 6 HG SER 6 -16.906 -13.009 6.222
27 H GLY 7 H GLY 7 -15.037 -15.621 3.523
28 HA2 GLY 7 1HA GLY 7 -13.528 -14.745 2.025
29 HA3 GLY 7 2HA GLY 7 -14.818 -14.988 0.856
30 H MET 8 H MET 8 -14.683 -12.747 3.601
31 HA MET 8 HA MET 8 -15.895 -10.599 2.508
32 HB2 MET 8 1HB MET 8 -14.710 -9.190 4.060
33 HB3 MET 8 2HB MET 8 -15.023 -10.737 4.835
34 HG2 MET 8 1HG MET 8 -12.665 -11.380 4.102
35 HG3 MET 8 2HG MET 8 -12.433 -9.662 3.784
36 HE1 MET 8 3HE MET 8 -10.795 -9.101 4.959
37 HE2 MET 8 1HE MET 8 -11.165 -8.255 6.462
38 HE3 MET 8 2HE MET 8 -10.289 -9.785 6.505
39 H GLY 9 H GLY 9 -15.352 -8.801 1.273
40 HA2 GLY 9 1HA GLY 9 -14.414 -7.864 -0.620
41 HA3 GLY 9 2HA GLY 9 -12.957 -7.915 0.361
42 H GLU 10 H GLU 10 -14.898 -9.799 -1.924
43 HA GLU 10 HA GLU 10 -13.228 -11.933 -2.379
44 HB2 GLU 10 1HB GLU 10 -15.153 -10.433 -4.100
45 HB3 GLU 10 2HB GLU 10 -14.120 -11.642 -4.852
46 HG2 GLU 10 1HG GLU 10 -16.202 -12.022 -2.731
47 HG3 GLU 10 2HG GLU 10 -16.109 -12.757 -4.331
48 H LYS 11 H LYS 11 -12.738 -8.624 -3.207
49 HA LYS 11 HA LYS 11 -10.768 -9.077 -5.240
50 HB2 LYS 11 1HB LYS 11 -11.672 -6.666 -3.690
51 HB3 LYS 11 2HB LYS 11 -10.260 -6.590 -4.734
52 HG2 LYS 11 1HG LYS 11 -11.925 -5.847 -6.131
53 HG3 LYS 11 2HG LYS 11 -11.861 -7.565 -6.532
54 HD2 LYS 11 1HD LYS 11 -13.731 -7.958 -4.955
55 HD3 LYS 11 2HD LYS 11 -13.824 -6.217 -4.677
56 HE2 LYS 11 1HE LYS 11 -14.137 -7.540 -7.369
57 HE3 LYS 11 2HE LYS 11 -15.479 -7.067 -6.328
58 HZ1 LYS 11 3HZ LYS 11 -14.059 -5.489 -8.156
59 HZ2 LYS 11 1HZ LYS 11 -13.784 -4.865 -6.607
60 HZ3 LYS 11 2HZ LYS 11 -15.366 -5.043 -7.178
61 H CYS 12 H CYS 12 -9.142 -10.369 -4.456
62 HA CYS 12 HA CYS 12 -7.855 -9.843 -1.946
63 HB2 CYS 12 1HB CYS 12 -8.082 -12.106 -3.164
64 HB3 CYS 12 2HB CYS 12 -6.723 -11.564 -4.141
65 HG CYS 12 HG CYS 12 -4.993 -12.538 -2.527
66 H TYR 13 H TYR 13 -7.633 -7.485 -2.895
67 HA TYR 13 HA TYR 13 -5.601 -6.891 -4.730
68 HB2 TYR 13 1HB TYR 13 -7.051 -5.387 -2.612
69 HB3 TYR 13 2HB TYR 13 -5.553 -4.687 -3.217
70 HD1 TYR 13 HD1 TYR 13 -8.188 -6.603 -5.029
71 HD2 TYR 13 HD2 TYR 13 -6.201 -2.875 -4.524
72 HE1 TYR 13 HE1 TYR 13 -9.400 -5.701 -6.970
73 HE2 TYR 13 HE2 TYR 13 -7.408 -1.962 -6.462
74 HH TYR 13 HH TYR 13 -10.023 -2.972 -7.644
75 H LYS 14 H LYS 14 -3.549 -7.491 -4.569
76 HA LYS 14 HA LYS 14 -2.248 -7.357 -1.927
77 HB2 LYS 14 1HB LYS 14 -2.371 -9.645 -2.753
78 HB3 LYS 14 2HB LYS 14 -1.629 -9.161 -4.273
79 HG2 LYS 14 1HG LYS 14 0.396 -8.485 -2.965
80 HG3 LYS 14 2HG LYS 14 -0.354 -9.227 -1.550
81 HD2 LYS 14 1HD LYS 14 -0.414 -11.376 -2.672
82 HD3 LYS 14 2HD LYS 14 0.235 -10.652 -4.145
83 HE2 LYS 14 1HE LYS 14 2.347 -10.477 -3.292
84 HE3 LYS 14 2HE LYS 14 1.780 -10.311 -1.631
85 HZ1 LYS 14 3HZ LYS 14 2.830 -12.561 -2.736
86 HZ2 LYS 14 1HZ LYS 14 1.167 -12.870 -2.764
87 HZ3 LYS 14 2HZ LYS 14 1.933 -12.493 -1.304
88 H CYS 15 H CYS 15 -0.032 -6.681 -1.873
89 HA CYS 15 HA CYS 15 0.595 -4.782 -4.024
90 HB2 CYS 15 1HB CYS 15 0.374 -3.952 -1.655
91 HB3 CYS 15 2HB CYS 15 1.802 -4.902 -1.256
92 H ASP 16 H ASP 16 1.307 -6.757 -5.246
93 HA ASP 16 HA ASP 16 3.255 -8.512 -4.779
94 HB2 ASP 16 1HB ASP 16 2.110 -7.762 -7.031
95 HB3 ASP 16 2HB ASP 16 3.611 -6.866 -7.252
96 H VAL 17 H VAL 17 3.743 -5.055 -5.090
97 HA VAL 17 HA VAL 17 6.440 -4.808 -5.421
98 HB VAL 17 HB VAL 17 4.768 -3.210 -3.476
99 HG11 VAL 17 1HG1 VAL 17 6.811 -1.684 -4.723
100 HG12 VAL 17 2HG1 VAL 17 6.607 -2.058 -3.011
101 HG13 VAL 17 3HG1 VAL 17 7.548 -3.134 -4.044
102 HG21 VAL 17 3HG2 VAL 17 3.861 -3.289 -5.778
103 HG22 VAL 17 1HG2 VAL 17 4.390 -1.676 -5.300
104 HG23 VAL 17 2HG2 VAL 17 5.393 -2.651 -6.374
105 H CYS 18 H CYS 18 4.870 -4.960 -2.217
106 HA CYS 18 HA CYS 18 7.407 -5.967 -1.120
107 HB2 CYS 18 1HB CYS 18 6.586 -5.189 1.065
108 HB3 CYS 18 2HB CYS 18 6.640 -3.877 -0.108
109 H GLY 19 H GLY 19 3.886 -6.421 -0.962
110 HA2 GLY 19 1HA GLY 19 3.259 -8.853 -1.229
111 HA3 GLY 19 2HA GLY 19 4.379 -9.134 0.096
112 H LYS 20 H LYS 20 2.099 -6.457 -0.208
113 HA LYS 20 HA LYS 20 0.933 -7.232 2.355
114 HB2 LYS 20 1HB LYS 20 1.741 -4.828 1.576
115 HB3 LYS 20 2HB LYS 20 0.116 -4.753 0.908
116 HG2 LYS 20 1HG LYS 20 -0.312 -3.881 2.950
117 HG3 LYS 20 2HG LYS 20 -0.509 -5.589 3.350
118 HD2 LYS 20 1HD LYS 20 2.215 -4.420 3.561
119 HD3 LYS 20 2HD LYS 20 1.029 -3.970 4.788
120 HE2 LYS 20 1HE LYS 20 1.882 -6.767 4.048
121 HE3 LYS 20 2HE LYS 20 2.304 -5.897 5.522
122 HZ1 LYS 20 3HZ LYS 20 0.441 -6.604 6.453
123 HZ2 LYS 20 1HZ LYS 20 0.075 -7.498 5.064
124 HZ3 LYS 20 2HZ LYS 20 -0.493 -5.912 5.224
125 H GLU 21 H GLU 21 -1.407 -7.128 2.653
126 HA GLU 21 HA GLU 21 -2.959 -7.616 0.211
127 HB2 GLU 21 1HB GLU 21 -2.519 -9.483 2.481
128 HB3 GLU 21 2HB GLU 21 -4.145 -9.400 1.818
129 HG2 GLU 21 1HG GLU 21 -3.058 -9.768 -0.455
130 HG3 GLU 21 2HG GLU 21 -1.611 -10.219 0.445
131 H PHE 22 H PHE 22 -4.729 -6.409 0.170
132 HA PHE 22 HA PHE 22 -5.864 -5.494 2.731
133 HB2 PHE 22 1HB PHE 22 -5.936 -3.982 0.115
134 HB3 PHE 22 2HB PHE 22 -6.460 -3.401 1.692
135 HD1 PHE 22 HD1 PHE 22 -3.563 -4.205 -0.407
136 HD2 PHE 22 HD2 PHE 22 -4.884 -2.609 3.311
137 HE1 PHE 22 HE1 PHE 22 -1.314 -3.292 -0.004
138 HE2 PHE 22 HE2 PHE 22 -2.638 -1.692 3.719
139 HZ PHE 22 HZ PHE 22 -0.849 -2.032 2.060
140 H SER 23 H SER 23 -8.209 -4.679 2.369
141 HA SER 23 HA SER 23 -9.630 -6.822 0.954
142 HB2 SER 23 1HB SER 23 -10.301 -5.103 3.321
143 HB3 SER 23 2HB SER 23 -11.594 -5.861 2.392
144 HG SER 23 HG SER 23 -10.983 -7.238 4.051
145 H GLN 24 H GLN 24 -9.588 -3.312 1.392
146 HA GLN 24 HA GLN 24 -11.470 -3.022 -0.838
147 HB2 GLN 24 1HB GLN 24 -11.543 -1.788 1.531
148 HB3 GLN 24 2HB GLN 24 -10.500 -0.656 0.680
149 HG2 GLN 24 1HG GLN 24 -13.090 -1.541 -0.521
150 HG3 GLN 24 2HG GLN 24 -13.043 -0.260 0.689
151 HE21 GLN 24 1HE2 GLN 24 -12.734 1.733 -0.007
152 HE22 GLN 24 2HE2 GLN 24 -12.118 2.181 -1.557
153 H SER 25 H SER 25 -10.891 -2.166 -2.754
154 HA SER 25 HA SER 25 -8.345 -2.215 -3.716
155 HB2 SER 25 1HB SER 25 -10.426 -0.219 -4.630
156 HB3 SER 25 2HB SER 25 -9.102 -0.887 -5.584
157 HG SER 25 HG SER 25 -11.522 -2.047 -4.826
158 H SER 26 H SER 26 -9.933 0.450 -2.058
159 HA SER 26 HA SER 26 -7.944 2.400 -2.543
160 HB2 SER 26 1HB SER 26 -9.063 3.734 -0.923
161 HB3 SER 26 2HB SER 26 -10.324 2.788 -1.714
162 HG SER 26 HG SER 26 -10.609 1.638 0.070
163 H HIS 27 H HIS 27 -8.516 0.223 0.206
164 HA HIS 27 HA HIS 27 -6.617 1.001 1.980
165 HB2 HIS 27 1HB HIS 27 -7.501 -1.761 1.177
166 HB3 HIS 27 2HB HIS 27 -6.324 -1.515 2.464
167 HD1 HIS 27 HD1 HIS 27 -8.130 -2.599 4.069
168 HD2 HIS 27 HD2 HIS 27 -9.180 1.066 2.418
169 HE1 HIS 27 HE1 HIS 27 -10.070 -1.774 5.441
170 H LEU 28 H LEU 28 -6.084 -0.774 -1.012
171 HA LEU 28 HA LEU 28 -3.284 -1.186 -0.515
172 HB2 LEU 28 1HB LEU 28 -4.511 -2.759 -1.879
173 HB3 LEU 28 2HB LEU 28 -4.944 -1.481 -3.013
174 HG LEU 28 HG LEU 28 -2.548 -1.260 -3.609
175 HD11 LEU 28 1HD1 LEU 28 -1.528 -2.075 -1.583
176 HD12 LEU 28 2HD1 LEU 28 -1.020 -3.081 -2.939
177 HD13 LEU 28 3HD1 LEU 28 -2.249 -3.668 -1.820
178 HD21 LEU 28 3HD2 LEU 28 -4.321 -3.456 -4.200
179 HD22 LEU 28 1HD2 LEU 28 -2.633 -3.948 -4.340
180 HD23 LEU 28 2HD2 LEU 28 -3.229 -2.572 -5.268
181 H GLN 29 H GLN 29 -5.012 0.683 -3.019
182 HA GLN 29 HA GLN 29 -2.993 2.058 -4.162
183 HB2 GLN 29 1HB GLN 29 -5.737 3.033 -3.390
184 HB3 GLN 29 2HB GLN 29 -4.628 4.016 -4.337
185 HG2 GLN 29 1HG GLN 29 -5.816 1.359 -5.088
186 HG3 GLN 29 2HG GLN 29 -6.120 2.927 -5.834
187 HE21 GLN 29 1HE2 GLN 29 -4.555 0.100 -6.231
188 HE22 GLN 29 2HE2 GLN 29 -3.274 0.605 -7.274
189 H THR 30 H THR 30 -4.325 2.633 -0.971
190 HA THR 30 HA THR 30 -2.982 5.098 -0.505
191 HB THR 30 HB THR 30 -3.910 3.169 1.622
192 HG1 THR 30 HG1 THR 30 -5.843 4.735 1.385
193 HG21 THR 30 3HG2 THR 30 -4.480 5.612 2.556
194 HG22 THR 30 1HG2 THR 30 -3.110 6.021 1.525
195 HG23 THR 30 2HG2 THR 30 -2.919 4.834 2.815
196 H HIS 31 H HIS 31 -2.350 1.776 0.625
197 HA HIS 31 HA HIS 31 0.012 2.305 2.008
198 HB2 HIS 31 1HB HIS 31 -0.885 0.191 2.406
199 HB3 HIS 31 2HB HIS 31 -1.110 -0.147 0.692
200 HD1 HIS 31 HD1 HIS 31 1.449 -0.261 3.411
201 HD2 HIS 31 HD2 HIS 31 1.129 -1.194 -0.624
202 HE1 HIS 31 HE1 HIS 31 3.500 -1.611 2.869
203 H GLN 32 H GLN 32 -0.584 1.900 -1.405
204 HA GLN 32 HA GLN 32 1.978 1.339 -2.326
205 HB2 GLN 32 1HB GLN 32 -0.433 2.641 -3.485
206 HB3 GLN 32 2HB GLN 32 1.087 2.840 -4.346
207 HG2 GLN 32 1HG GLN 32 1.330 0.358 -4.338
208 HG3 GLN 32 2HG GLN 32 -0.298 0.260 -3.667
209 HE21 GLN 32 1HE2 GLN 32 0.859 -0.660 -6.240
210 HE22 GLN 32 2HE2 GLN 32 -0.151 0.028 -7.460
211 H ARG 33 H ARG 33 0.733 4.208 -0.915
212 HA ARG 33 HA ARG 33 2.320 6.187 -2.044
213 HB2 ARG 33 1HB ARG 33 1.330 5.909 0.798
214 HB3 ARG 33 2HB ARG 33 2.047 7.375 0.141
215 HG2 ARG 33 1HG ARG 33 -0.389 6.077 -1.046
216 HG3 ARG 33 2HG ARG 33 -0.466 7.306 0.218
217 HD2 ARG 33 1HD ARG 33 0.696 7.594 -2.548
218 HD3 ARG 33 2HD ARG 33 -0.752 8.374 -1.912
219 HE ARG 33 HE ARG 33 1.178 9.236 -0.236
220 HH11 ARG 33 1HH1 ARG 33 0.902 9.175 -3.706
221 HH12 ARG 33 2HH1 ARG 33 1.869 10.593 -3.939
222 HH21 ARG 33 1HH2 ARG 33 2.453 11.104 -0.530
223 HH22 ARG 33 2HH2 ARG 33 2.752 11.689 -2.131
224 H VAL 34 H VAL 34 3.144 3.673 0.208
225 HA VAL 34 HA VAL 34 5.583 4.825 1.136
226 HB VAL 34 HB VAL 34 6.094 2.601 2.020
227 HG11 VAL 34 1HG1 VAL 34 4.718 3.910 3.422
228 HG12 VAL 34 2HG1 VAL 34 3.290 3.611 2.428
229 HG13 VAL 34 3HG1 VAL 34 3.986 2.307 3.391
230 HG21 VAL 34 3HG2 VAL 34 3.811 1.096 1.557
231 HG22 VAL 34 1HG2 VAL 34 4.203 1.787 -0.018
232 HG23 VAL 34 2HG2 VAL 34 5.405 0.832 0.850
233 H HIS 35 H HIS 35 4.655 3.269 -1.753
234 HA HIS 35 HA HIS 35 7.472 2.781 -2.461
235 HB2 HIS 35 1HB HIS 35 5.079 1.613 -3.878
236 HB3 HIS 35 2HB HIS 35 6.762 1.108 -3.997
237 HD1 HIS 35 HD1 HIS 35 7.724 0.251 -1.495
238 HD2 HIS 35 HD2 HIS 35 3.651 -0.013 -2.273
239 HE1 HIS 35 HE1 HIS 35 6.833 -1.433 0.147
240 H THR 36 H THR 36 4.636 4.581 -3.178
241 HA THR 36 HA THR 36 5.722 5.492 -5.745
242 HB THR 36 HB THR 36 3.481 6.742 -5.858
243 HG1 THR 36 HG1 THR 36 2.572 4.813 -4.018
244 HG21 THR 36 3HG2 THR 36 2.257 4.487 -6.313
245 HG22 THR 36 1HG2 THR 36 3.837 3.772 -5.994
246 HG23 THR 36 2HG2 THR 36 3.644 4.937 -7.304
247 H GLY 37 H GLY 37 4.718 6.688 -2.570
248 HA2 GLY 37 1HA GLY 37 4.772 9.351 -2.704
249 HA3 GLY 37 2HA GLY 37 5.611 8.502 -1.414
250 H GLU 38 H GLU 38 5.930 10.459 -4.196
251 HA GLU 38 HA GLU 38 7.766 11.117 -5.443
252 HB2 GLU 38 1HB GLU 38 9.348 12.358 -4.053
253 HB3 GLU 38 2HB GLU 38 7.695 12.634 -3.521
254 HG2 GLU 38 1HG GLU 38 8.008 11.045 -1.698
255 HG3 GLU 38 2HG GLU 38 9.662 10.753 -2.234
256 H LYS 39 H LYS 39 7.861 8.425 -5.474
257 HA LYS 39 HA LYS 39 10.739 7.896 -5.236
258 HB2 LYS 39 1HB LYS 39 9.533 6.829 -3.337
259 HB3 LYS 39 2HB LYS 39 8.579 5.914 -4.497
260 HG2 LYS 39 1HG LYS 39 10.240 4.433 -3.815
261 HG3 LYS 39 2HG LYS 39 10.810 5.035 -5.373
262 HD2 LYS 39 1HD LYS 39 12.719 5.209 -4.096
263 HD3 LYS 39 2HD LYS 39 12.030 6.823 -3.904
264 HE2 LYS 39 1HE LYS 39 10.834 5.665 -1.846
265 HE3 LYS 39 2HE LYS 39 12.223 4.585 -1.954
266 HZ1 LYS 39 3HZ LYS 39 12.504 6.541 -0.449
267 HZ2 LYS 39 1HZ LYS 39 12.474 7.535 -1.818
268 HZ3 LYS 39 2HZ LYS 39 13.700 6.385 -1.635
269 HA PRO 40 HA PRO 40 8.806 6.810 -9.396
270 HB2 PRO 40 1HB PRO 40 10.273 8.549 -10.877
271 HB3 PRO 40 2HB PRO 40 8.721 8.979 -10.151
272 HG2 PRO 40 1HG PRO 40 11.492 9.563 -9.182
273 HG3 PRO 40 2HG PRO 40 10.074 10.626 -9.221
274 HD2 PRO 40 1HD PRO 40 10.890 9.369 -6.966
275 HD3 PRO 40 2HD PRO 40 9.181 9.715 -7.301
276 H SER 41 H SER 41 10.218 6.372 -11.475
277 HA SER 41 HA SER 41 12.759 5.151 -10.618
278 HB2 SER 41 1HB SER 41 12.266 3.329 -12.290
279 HB3 SER 41 2HB SER 41 11.190 3.352 -10.893
280 HG SER 41 HG SER 41 10.324 4.882 -13.003
281 H GLY 42 H GLY 42 14.145 6.647 -11.451
282 HA2 GLY 42 1HA GLY 42 14.048 7.000 -14.382
283 HA3 GLY 42 2HA GLY 42 14.418 8.339 -13.305
284 HA PRO 43 HA PRO 43 18.415 6.449 -14.697
285 HB2 PRO 43 1HB PRO 43 19.606 8.821 -15.270
286 HB3 PRO 43 2HB PRO 43 18.602 7.945 -16.431
287 HG2 PRO 43 1HG PRO 43 17.887 10.265 -14.680
288 HG3 PRO 43 2HG PRO 43 17.483 9.983 -16.384
289 HD2 PRO 43 1HD PRO 43 15.726 9.526 -14.374
290 HD3 PRO 43 2HD PRO 43 15.743 8.563 -15.865
291 H SER 44 H SER 44 19.258 5.795 -12.782
292 HA SER 44 HA SER 44 19.676 7.590 -10.583
293 HB2 SER 44 1HB SER 44 20.597 4.740 -11.023
294 HB3 SER 44 2HB SER 44 20.757 5.626 -9.507
295 HG SER 44 HG SER 44 18.236 5.434 -10.719
296 H SER 45 H SER 45 21.161 9.144 -10.876
297 HA SER 45 HA SER 45 23.923 8.430 -10.997
298 HB2 SER 45 1HB SER 45 24.431 9.744 -13.070
299 HB3 SER 45 2HB SER 45 23.518 8.265 -13.373
300 HG SER 45 HG SER 45 21.649 9.922 -13.073
301 H GLY 46 H GLY 46 25.344 10.325 -10.808
302 HA2 GLY 46 1HA GLY 46 25.877 12.204 -9.580
303 HA3 GLY 46 2HA GLY 46 24.662 12.956 -10.603
Start of MODEL 20
1 H1 GLY 1 H GLY 1 2.247 -18.434 11.923
2 HA2 GLY 1 1HA GLY 1 0.345 -17.561 10.159
3 HA3 GLY 1 2HA GLY 1 -0.541 -17.810 11.656
4 H SER 2 H SER 2 2.639 -16.441 10.792
5 HA SER 2 HA SER 2 2.635 -14.531 12.856
6 HB2 SER 2 1HB SER 2 4.127 -14.375 10.226
7 HB3 SER 2 2HB SER 2 4.540 -13.541 11.724
8 HG SER 2 HG SER 2 5.780 -15.272 11.886
9 H SER 3 H SER 3 2.062 -14.088 9.363
10 HA SER 3 HA SER 3 1.214 -11.383 9.662
11 HB2 SER 3 1HB SER 3 2.166 -12.611 7.562
12 HB3 SER 3 2HB SER 3 0.485 -13.070 7.288
13 HG SER 3 HG SER 3 1.401 -10.972 6.378
14 H GLY 4 H GLY 4 -0.935 -10.576 9.076
15 HA2 GLY 4 1HA GLY 4 -3.026 -12.372 10.125
16 HA3 GLY 4 2HA GLY 4 -3.061 -10.618 10.233
17 H SER 5 H SER 5 -4.476 -13.132 8.750
18 HA SER 5 HA SER 5 -5.168 -11.509 6.394
19 HB2 SER 5 1HB SER 5 -4.369 -14.388 6.540
20 HB3 SER 5 2HB SER 5 -5.551 -13.895 5.328
21 HG SER 5 HG SER 5 -3.300 -13.814 4.650
22 H SER 6 H SER 6 -7.241 -10.985 6.407
23 HA SER 6 HA SER 6 -9.234 -12.948 7.228
24 HB2 SER 6 1HB SER 6 -10.285 -11.587 8.848
25 HB3 SER 6 2HB SER 6 -8.565 -11.469 9.220
26 HG SER 6 HG SER 6 -8.509 -9.458 8.304
27 H GLY 7 H GLY 7 -11.513 -11.976 6.862
28 HA2 GLY 7 1HA GLY 7 -13.045 -11.020 5.437
29 HA3 GLY 7 2HA GLY 7 -11.806 -9.858 4.987
30 H MET 8 H MET 8 -13.139 -13.038 4.309
31 HA MET 8 HA MET 8 -11.498 -13.365 1.944
32 HB2 MET 8 1HB MET 8 -13.609 -15.024 3.289
33 HB3 MET 8 2HB MET 8 -13.070 -15.411 1.661
34 HG2 MET 8 1HG MET 8 -10.768 -15.609 2.488
35 HG3 MET 8 2HG MET 8 -11.341 -15.270 4.119
36 HE1 MET 8 3HE MET 8 -9.850 -18.540 3.672
37 HE2 MET 8 1HE MET 8 -9.975 -17.098 4.681
38 HE3 MET 8 2HE MET 8 -10.800 -18.582 5.158
39 H GLY 9 H GLY 9 -12.105 -11.640 0.617
40 HA2 GLY 9 1HA GLY 9 -14.918 -11.551 -0.233
41 HA3 GLY 9 2HA GLY 9 -13.730 -10.282 -0.491
42 H GLU 10 H GLU 10 -15.066 -10.751 -2.647
43 HA GLU 10 HA GLU 10 -14.166 -12.934 -4.236
44 HB2 GLU 10 1HB GLU 10 -15.348 -11.901 -6.046
45 HB3 GLU 10 2HB GLU 10 -16.312 -11.699 -4.589
46 HG2 GLU 10 1HG GLU 10 -15.589 -9.409 -4.376
47 HG3 GLU 10 2HG GLU 10 -14.506 -9.593 -5.754
48 H LYS 11 H LYS 11 -12.959 -9.755 -3.576
49 HA LYS 11 HA LYS 11 -10.859 -10.137 -5.609
50 HB2 LYS 11 1HB LYS 11 -12.118 -8.172 -6.145
51 HB3 LYS 11 2HB LYS 11 -12.053 -7.604 -4.482
52 HG2 LYS 11 1HG LYS 11 -10.434 -6.292 -5.364
53 HG3 LYS 11 2HG LYS 11 -9.444 -7.694 -4.954
54 HD2 LYS 11 1HD LYS 11 -10.747 -7.649 -7.624
55 HD3 LYS 11 2HD LYS 11 -9.374 -6.571 -7.359
56 HE2 LYS 11 1HE LYS 11 -8.248 -8.420 -8.064
57 HE3 LYS 11 2HE LYS 11 -8.321 -8.782 -6.340
58 HZ1 LYS 11 3HZ LYS 11 -10.656 -9.734 -7.585
59 HZ2 LYS 11 1HZ LYS 11 -9.450 -10.615 -6.790
60 HZ3 LYS 11 2HZ LYS 11 -9.317 -10.303 -8.447
61 H CYS 12 H CYS 12 -8.754 -10.053 -4.997
62 HA CYS 12 HA CYS 12 -8.212 -9.550 -2.144
63 HB2 CYS 12 1HB CYS 12 -8.039 -11.984 -3.145
64 HB3 CYS 12 2HB CYS 12 -6.491 -11.401 -3.744
65 HG CYS 12 HG CYS 12 -7.462 -11.663 -0.477
66 H TYR 13 H TYR 13 -7.654 -7.385 -2.568
67 HA TYR 13 HA TYR 13 -5.726 -6.634 -4.513
68 HB2 TYR 13 1HB TYR 13 -6.917 -5.256 -2.119
69 HB3 TYR 13 2HB TYR 13 -5.627 -4.505 -3.052
70 HD1 TYR 13 HD2 TYR 13 -6.033 -4.271 -5.602
71 HD2 TYR 13 HD1 TYR 13 -9.132 -4.981 -2.775
72 HE1 TYR 13 HE2 TYR 13 -7.687 -3.418 -7.210
73 HE2 TYR 13 HE1 TYR 13 -10.795 -4.131 -4.375
74 HH TYR 13 HH TYR 13 -11.132 -3.215 -6.369
75 H LYS 14 H LYS 14 -3.787 -7.630 -4.377
76 HA LYS 14 HA LYS 14 -2.341 -7.449 -1.817
77 HB2 LYS 14 1HB LYS 14 -2.676 -9.753 -2.490
78 HB3 LYS 14 2HB LYS 14 -2.025 -9.417 -4.089
79 HG2 LYS 14 1HG LYS 14 0.099 -8.697 -2.741
80 HG3 LYS 14 2HG LYS 14 -0.609 -9.719 -1.488
81 HD2 LYS 14 1HD LYS 14 -0.621 -11.615 -2.967
82 HD3 LYS 14 2HD LYS 14 -0.105 -10.613 -4.325
83 HE2 LYS 14 1HE LYS 14 1.552 -10.859 -1.835
84 HE3 LYS 14 2HE LYS 14 1.661 -12.047 -3.133
85 HZ1 LYS 14 3HZ LYS 14 3.327 -10.472 -3.557
86 HZ2 LYS 14 1HZ LYS 14 2.305 -9.160 -3.246
87 HZ3 LYS 14 2HZ LYS 14 2.087 -10.089 -4.642
88 H CYS 15 H CYS 15 -0.449 -6.379 -1.735
89 HA CYS 15 HA CYS 15 0.304 -4.741 -3.959
90 HB2 CYS 15 1HB CYS 15 0.483 -3.950 -1.631
91 HB3 CYS 15 2HB CYS 15 1.703 -5.178 -1.312
92 H ASP 16 H ASP 16 1.631 -5.258 -5.557
93 HA ASP 16 HA ASP 16 3.254 -7.671 -5.348
94 HB2 ASP 16 1HB ASP 16 2.577 -5.887 -7.693
95 HB3 ASP 16 2HB ASP 16 3.623 -7.300 -7.802
96 H VAL 17 H VAL 17 4.000 -5.257 -3.886
97 HA VAL 17 HA VAL 17 6.568 -4.657 -5.206
98 HB VAL 17 HB VAL 17 5.120 -2.939 -3.186
99 HG11 VAL 17 1HG1 VAL 17 6.782 -1.250 -3.761
100 HG12 VAL 17 2HG1 VAL 17 7.558 -2.708 -3.140
101 HG13 VAL 17 3HG1 VAL 17 7.558 -2.377 -4.873
102 HG21 VAL 17 3HG2 VAL 17 5.501 -2.083 -6.003
103 HG22 VAL 17 1HG2 VAL 17 4.234 -3.263 -5.665
104 HG23 VAL 17 2HG2 VAL 17 4.213 -1.691 -4.865
105 H CYS 18 H CYS 18 5.075 -4.858 -1.971
106 HA CYS 18 HA CYS 18 7.659 -5.815 -0.933
107 HB2 CYS 18 1HB CYS 18 6.778 -5.123 1.301
108 HB3 CYS 18 2HB CYS 18 6.964 -3.787 0.169
109 H GLY 19 H GLY 19 4.156 -6.355 -0.795
110 HA2 GLY 19 1HA GLY 19 3.593 -8.800 -1.062
111 HA3 GLY 19 2HA GLY 19 4.705 -9.053 0.275
112 H LYS 20 H LYS 20 2.371 -6.426 -0.046
113 HA LYS 20 HA LYS 20 1.186 -7.244 2.496
114 HB2 LYS 20 1HB LYS 20 1.974 -4.834 1.837
115 HB3 LYS 20 2HB LYS 20 0.420 -4.753 1.017
116 HG2 LYS 20 1HG LYS 20 -0.769 -4.751 2.964
117 HG3 LYS 20 2HG LYS 20 0.466 -5.652 3.848
118 HD2 LYS 20 1HD LYS 20 0.990 -2.861 2.886
119 HD3 LYS 20 2HD LYS 20 0.118 -3.151 4.394
120 HE2 LYS 20 1HE LYS 20 2.118 -4.713 4.945
121 HE3 LYS 20 2HE LYS 20 2.952 -3.805 3.684
122 HZ1 LYS 20 3HZ LYS 20 1.590 -2.467 5.945
123 HZ2 LYS 20 1HZ LYS 20 2.743 -1.823 4.887
124 HZ3 LYS 20 2HZ LYS 20 3.201 -2.973 6.041
125 H GLU 21 H GLU 21 -1.270 -6.715 2.635
126 HA GLU 21 HA GLU 21 -2.739 -7.338 0.212
127 HB2 GLU 21 1HB GLU 21 -2.344 -9.269 2.439
128 HB3 GLU 21 2HB GLU 21 -3.952 -9.168 1.736
129 HG2 GLU 21 1HG GLU 21 -2.835 -9.491 -0.514
130 HG3 GLU 21 2HG GLU 21 -1.381 -9.919 0.386
131 H PHE 22 H PHE 22 -4.813 -6.592 0.246
132 HA PHE 22 HA PHE 22 -5.914 -5.645 2.791
133 HB2 PHE 22 1HB PHE 22 -5.902 -3.937 0.299
134 HB3 PHE 22 2HB PHE 22 -6.467 -3.481 1.902
135 HD1 PHE 22 HD1 PHE 22 -3.433 -4.435 -0.002
136 HD2 PHE 22 HD2 PHE 22 -5.017 -2.502 3.443
137 HE1 PHE 22 HE1 PHE 22 -1.197 -3.557 0.528
138 HE2 PHE 22 HE2 PHE 22 -2.783 -1.620 3.979
139 HZ PHE 22 HZ PHE 22 -0.870 -2.146 2.521
140 H SER 23 H SER 23 -8.247 -4.818 2.390
141 HA SER 23 HA SER 23 -9.585 -6.842 0.735
142 HB2 SER 23 1HB SER 23 -11.455 -6.680 2.190
143 HB3 SER 23 2HB SER 23 -10.041 -6.674 3.243
144 HG SER 23 HG SER 23 -11.933 -4.756 2.871
145 H GLN 24 H GLN 24 -9.550 -3.389 1.472
146 HA GLN 24 HA GLN 24 -11.498 -2.855 -0.627
147 HB2 GLN 24 1HB GLN 24 -11.249 -1.686 1.737
148 HB3 GLN 24 2HB GLN 24 -10.110 -0.673 0.860
149 HG2 GLN 24 1HG GLN 24 -12.364 0.287 0.946
150 HG3 GLN 24 2HG GLN 24 -11.820 -0.021 -0.702
151 HE21 GLN 24 1HE2 GLN 24 -13.998 -0.982 1.829
152 HE22 GLN 24 2HE2 GLN 24 -15.035 -1.954 0.846
153 H SER 25 H SER 25 -11.052 -1.912 -2.555
154 HA SER 25 HA SER 25 -8.537 -2.189 -3.705
155 HB2 SER 25 1HB SER 25 -9.416 -1.065 -5.611
156 HB3 SER 25 2HB SER 25 -10.777 -1.920 -4.887
157 HG SER 25 HG SER 25 -11.713 -0.075 -4.551
158 H SER 26 H SER 26 -10.059 0.659 -2.260
159 HA SER 26 HA SER 26 -7.990 2.477 -2.918
160 HB2 SER 26 1HB SER 26 -9.945 2.652 -0.613
161 HB3 SER 26 2HB SER 26 -9.053 3.988 -1.341
162 HG SER 26 HG SER 26 -11.013 2.380 -2.620
163 H HIS 27 H HIS 27 -8.619 0.456 -0.090
164 HA HIS 27 HA HIS 27 -6.735 1.422 1.674
165 HB2 HIS 27 1HB HIS 27 -7.802 -1.345 1.183
166 HB3 HIS 27 2HB HIS 27 -6.579 -1.059 2.418
167 HD1 HIS 27 HD1 HIS 27 -8.534 -1.908 4.059
168 HD2 HIS 27 HD2 HIS 27 -9.123 1.786 2.251
169 HE1 HIS 27 HE1 HIS 27 -10.345 -0.787 5.396
170 H LEU 28 H LEU 28 -6.277 -0.865 -0.988
171 HA LEU 28 HA LEU 28 -3.556 -1.421 -0.450
172 HB2 LEU 28 1HB LEU 28 -4.770 -2.934 -1.813
173 HB3 LEU 28 2HB LEU 28 -5.237 -1.655 -2.932
174 HG LEU 28 HG LEU 28 -2.836 -1.472 -3.603
175 HD11 LEU 28 1HD1 LEU 28 -1.613 -2.356 -1.831
176 HD12 LEU 28 2HD1 LEU 28 -1.507 -3.605 -3.071
177 HD13 LEU 28 3HD1 LEU 28 -2.627 -3.795 -1.721
178 HD21 LEU 28 3HD2 LEU 28 -3.334 -2.839 -5.287
179 HD22 LEU 28 1HD2 LEU 28 -4.789 -3.278 -4.393
180 HD23 LEU 28 2HD2 LEU 28 -3.328 -4.254 -4.234
181 H GLN 29 H GLN 29 -5.095 0.766 -2.804
182 HA GLN 29 HA GLN 29 -2.826 1.826 -3.964
183 HB2 GLN 29 1HB GLN 29 -5.432 3.223 -3.340
184 HB3 GLN 29 2HB GLN 29 -4.207 3.835 -4.443
185 HG2 GLN 29 1HG GLN 29 -5.701 1.243 -4.767
186 HG3 GLN 29 2HG GLN 29 -6.063 2.748 -5.610
187 HE21 GLN 29 1HE2 GLN 29 -4.901 -0.101 -6.218
188 HE22 GLN 29 2HE2 GLN 29 -3.633 0.255 -7.336
189 H THR 30 H THR 30 -4.476 2.865 -1.005
190 HA THR 30 HA THR 30 -2.954 5.132 -0.449
191 HB THR 30 HB THR 30 -4.193 3.211 1.532
192 HG1 THR 30 HG1 THR 30 -5.764 5.142 1.441
193 HG21 THR 30 3HG2 THR 30 -3.930 4.803 3.188
194 HG22 THR 30 1HG2 THR 30 -3.741 6.124 2.036
195 HG23 THR 30 2HG2 THR 30 -2.424 4.979 2.288
196 H HIS 31 H HIS 31 -2.403 1.747 0.457
197 HA HIS 31 HA HIS 31 -0.072 2.239 1.991
198 HB2 HIS 31 1HB HIS 31 -0.953 0.176 2.494
199 HB3 HIS 31 2HB HIS 31 -1.392 -0.165 0.823
200 HD1 HIS 31 HD1 HIS 31 1.677 -0.064 3.045
201 HD2 HIS 31 HD2 HIS 31 0.365 -1.770 -0.509
202 HE1 HIS 31 HE1 HIS 31 3.489 -1.667 2.359
203 H GLN 32 H GLN 32 -0.590 1.315 -1.388
204 HA GLN 32 HA GLN 32 1.943 0.764 -2.232
205 HB2 GLN 32 1HB GLN 32 -0.359 2.142 -3.557
206 HB3 GLN 32 2HB GLN 32 1.182 2.037 -4.398
207 HG2 GLN 32 1HG GLN 32 1.123 -0.405 -4.170
208 HG3 GLN 32 2HG GLN 32 -0.446 -0.278 -3.375
209 HE21 GLN 32 1HE2 GLN 32 0.708 -1.331 -6.058
210 HE22 GLN 32 2HE2 GLN 32 -0.452 -0.778 -7.212
211 H ARG 33 H ARG 33 0.693 3.823 -1.201
212 HA ARG 33 HA ARG 33 2.403 5.626 -2.406
213 HB2 ARG 33 1HB ARG 33 1.254 5.630 0.387
214 HB3 ARG 33 2HB ARG 33 2.101 7.001 -0.316
215 HG2 ARG 33 1HG ARG 33 0.370 6.813 -2.216
216 HG3 ARG 33 2HG ARG 33 -0.548 5.837 -1.067
217 HD2 ARG 33 1HD ARG 33 -1.332 8.052 -0.821
218 HD3 ARG 33 2HD ARG 33 -0.290 7.744 0.567
219 HE ARG 33 HE ARG 33 1.420 8.889 -1.131
220 HH11 ARG 33 1HH1 ARG 33 -1.811 9.779 -0.189
221 HH12 ARG 33 2HH1 ARG 33 -1.549 11.477 -0.411
222 HH21 ARG 33 1HH2 ARG 33 1.778 11.122 -1.427
223 HH22 ARG 33 2HH2 ARG 33 0.493 12.240 -1.116
224 H VAL 34 H VAL 34 2.982 3.527 0.363
225 HA VAL 34 HA VAL 34 5.368 4.594 1.300
226 HB VAL 34 HB VAL 34 5.845 2.439 2.272
227 HG11 VAL 34 1HG1 VAL 34 3.522 1.915 3.235
228 HG12 VAL 34 2HG1 VAL 34 4.181 3.531 3.492
229 HG13 VAL 34 3HG1 VAL 34 2.961 3.263 2.246
230 HG21 VAL 34 3HG2 VAL 34 5.250 0.463 1.399
231 HG22 VAL 34 1HG2 VAL 34 3.592 0.990 1.104
232 HG23 VAL 34 2HG2 VAL 34 4.862 1.383 -0.056
233 H HIS 35 H HIS 35 4.734 3.171 -1.703
234 HA HIS 35 HA HIS 35 7.608 2.719 -2.170
235 HB2 HIS 35 1HB HIS 35 5.439 1.567 -3.903
236 HB3 HIS 35 2HB HIS 35 7.104 1.026 -3.715
237 HD1 HIS 35 HD1 HIS 35 7.546 0.234 -1.017
238 HD2 HIS 35 HD2 HIS 35 3.739 -0.100 -2.648
239 HE1 HIS 35 HE1 HIS 35 6.344 -1.444 0.419
240 H THR 36 H THR 36 4.706 4.307 -3.257
241 HA THR 36 HA THR 36 5.321 5.111 -5.804
242 HB THR 36 HB THR 36 3.959 7.121 -5.410
243 HG1 THR 36 HG1 THR 36 4.832 7.385 -3.180
244 HG21 THR 36 3HG2 THR 36 1.933 5.921 -4.424
245 HG22 THR 36 1HG2 THR 36 2.989 4.521 -4.247
246 HG23 THR 36 2HG2 THR 36 2.676 5.193 -5.847
247 H GLY 37 H GLY 37 6.894 6.268 -6.705
248 HA2 GLY 37 1HA GLY 37 8.249 8.226 -6.864
249 HA3 GLY 37 2HA GLY 37 8.230 8.342 -5.110
250 H GLU 38 H GLU 38 9.032 5.903 -4.278
251 HA GLU 38 HA GLU 38 11.795 5.994 -4.494
252 HB2 GLU 38 1HB GLU 38 10.296 4.751 -2.793
253 HB3 GLU 38 2HB GLU 38 10.332 3.426 -3.948
254 HG2 GLU 38 1HG GLU 38 12.906 4.640 -3.088
255 HG3 GLU 38 2HG GLU 38 12.055 3.568 -1.977
256 H LYS 39 H LYS 39 12.244 6.214 -6.744
257 HA LYS 39 HA LYS 39 11.598 4.169 -8.620
258 HB2 LYS 39 1HB LYS 39 12.009 6.107 -9.753
259 HB3 LYS 39 2HB LYS 39 13.233 6.642 -8.609
260 HG2 LYS 39 1HG LYS 39 14.881 5.234 -9.596
261 HG3 LYS 39 2HG LYS 39 13.673 4.436 -10.606
262 HD2 LYS 39 1HD LYS 39 13.229 6.808 -11.537
263 HD3 LYS 39 2HD LYS 39 14.797 7.206 -10.831
264 HE2 LYS 39 1HE LYS 39 15.042 6.589 -13.169
265 HE3 LYS 39 2HE LYS 39 15.831 5.404 -12.130
266 HZ1 LYS 39 3HZ LYS 39 13.108 4.728 -12.673
267 HZ2 LYS 39 1HZ LYS 39 14.508 3.800 -12.874
268 HZ3 LYS 39 2HZ LYS 39 14.018 4.865 -14.093
269 HA PRO 40 HA PRO 40 16.216 2.858 -8.087
270 HB2 PRO 40 1HB PRO 40 17.599 3.966 -6.030
271 HB3 PRO 40 2HB PRO 40 17.536 4.686 -7.643
272 HG2 PRO 40 1HG PRO 40 15.966 5.388 -5.193
273 HG3 PRO 40 2HG PRO 40 16.736 6.463 -6.375
274 HD2 PRO 40 1HD PRO 40 14.082 5.927 -6.406
275 HD3 PRO 40 2HD PRO 40 15.009 6.245 -7.886
276 H SER 41 H SER 41 15.916 0.847 -7.358
277 HA SER 41 HA SER 41 15.280 0.472 -4.505
278 HB2 SER 41 1HB SER 41 14.642 -1.412 -6.786
279 HB3 SER 41 2HB SER 41 14.159 -1.601 -5.101
280 HG SER 41 HG SER 41 12.841 -0.364 -6.994
281 H GLY 42 H GLY 42 17.209 0.113 -3.557
282 HA2 GLY 42 1HA GLY 42 19.472 -1.033 -4.676
283 HA3 GLY 42 2HA GLY 42 19.113 -1.020 -2.955
284 HA PRO 43 HA PRO 43 18.474 -5.352 -2.897
285 HB2 PRO 43 1HB PRO 43 16.214 -5.676 -1.428
286 HB3 PRO 43 2HB PRO 43 17.752 -5.165 -0.723
287 HG2 PRO 43 1HG PRO 43 15.387 -3.508 -1.513
288 HG3 PRO 43 2HG PRO 43 16.395 -3.398 -0.058
289 HD2 PRO 43 1HD PRO 43 16.698 -1.730 -2.169
290 HD3 PRO 43 2HD PRO 43 18.059 -2.232 -1.146
291 H SER 44 H SER 44 16.480 -3.416 -4.674
292 HA SER 44 HA SER 44 14.835 -3.740 -6.223
293 HB2 SER 44 1HB SER 44 16.415 -6.306 -6.441
294 HB3 SER 44 2HB SER 44 15.122 -5.881 -7.563
295 HG SER 44 HG SER 44 16.380 -3.844 -7.827
296 H SER 45 H SER 45 13.972 -4.255 -3.617
297 HA SER 45 HA SER 45 12.727 -6.664 -3.113
298 HB2 SER 45 1HB SER 45 11.768 -3.878 -2.420
299 HB3 SER 45 2HB SER 45 11.134 -5.362 -1.708
300 HG SER 45 HG SER 45 13.620 -5.642 -1.331
301 H GLY 46 H GLY 46 11.029 -7.732 -3.920
302 HA2 GLY 46 1HA GLY 46 9.313 -6.295 -5.852
303 HA3 GLY 46 2HA GLY 46 9.791 -7.975 -6.044
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