Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505186 | 2eow RC | 10207 | 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 -12.876 6.986 16.902
2 HA2 GLY 1 1HA GLY 1 -11.894 6.167 14.832
3 HA3 GLY 1 2HA GLY 1 -13.328 6.742 13.996
4 H SER 2 H SER 2 -12.131 7.991 12.549
5 HA SER 2 HA SER 2 -11.409 10.601 13.564
6 HB2 SER 2 1HB SER 2 -9.347 8.973 12.059
7 HB3 SER 2 2HB SER 2 -9.155 10.621 12.656
8 HG SER 2 HG SER 2 -8.497 9.749 14.438
9 H SER 3 H SER 3 -11.101 12.175 11.863
10 HA SER 3 HA SER 3 -12.791 11.604 9.588
11 HB2 SER 3 1HB SER 3 -12.623 13.997 9.117
12 HB3 SER 3 2HB SER 3 -12.997 13.739 10.821
13 HG SER 3 HG SER 3 -10.413 14.250 9.758
14 H GLY 4 H GLY 4 -9.404 11.951 10.270
15 HA2 GLY 4 1HA GLY 4 -7.533 11.838 8.938
16 HA3 GLY 4 2HA GLY 4 -8.490 10.712 7.987
17 H SER 5 H SER 5 -8.778 14.219 8.520
18 HA SER 5 HA SER 5 -8.382 14.609 5.632
19 HB2 SER 5 1HB SER 5 -10.481 16.036 7.280
20 HB3 SER 5 2HB SER 5 -10.211 16.196 5.545
21 HG SER 5 HG SER 5 -11.899 14.774 5.857
22 H SER 6 H SER 6 -6.611 15.795 5.407
23 HA SER 6 HA SER 6 -6.215 18.080 7.223
24 HB2 SER 6 1HB SER 6 -4.147 16.154 6.150
25 HB3 SER 6 2HB SER 6 -3.736 17.699 6.896
26 HG SER 6 HG SER 6 -5.274 16.707 8.634
27 H GLY 7 H GLY 7 -7.023 19.627 5.849
28 HA2 GLY 7 1HA GLY 7 -7.051 21.108 4.095
29 HA3 GLY 7 2HA GLY 7 -5.328 20.785 3.975
30 H THR 8 H THR 8 -4.823 20.362 1.937
31 HA THR 8 HA THR 8 -6.702 19.330 0.053
32 HB THR 8 HB THR 8 -4.876 20.867 -0.602
33 HG1 THR 8 HG1 THR 8 -4.114 19.300 -2.390
34 HG21 THR 8 3HG2 THR 8 -3.191 18.539 0.244
35 HG22 THR 8 1HG2 THR 8 -2.987 20.253 0.604
36 HG23 THR 8 2HG2 THR 8 -2.622 19.641 -1.009
37 H GLY 9 H GLY 9 -6.413 17.368 -1.214
38 HA2 GLY 9 1HA GLY 9 -4.665 15.286 -0.487
39 HA3 GLY 9 2HA GLY 9 -6.181 15.070 0.376
40 H GLU 10 H GLU 10 -4.730 15.329 -2.828
41 HA GLU 10 HA GLU 10 -7.159 14.356 -4.095
42 HB2 GLU 10 1HB GLU 10 -6.004 14.705 -6.190
43 HB3 GLU 10 2HB GLU 10 -5.801 16.124 -5.172
44 HG2 GLU 10 1HG GLU 10 -3.577 14.992 -4.473
45 HG3 GLU 10 2HG GLU 10 -3.797 14.054 -5.948
46 H LYS 11 H LYS 11 -7.513 12.321 -4.757
47 HA LYS 11 HA LYS 11 -5.380 10.354 -4.270
48 HB2 LYS 11 1HB LYS 11 -7.342 8.712 -4.281
49 HB3 LYS 11 2HB LYS 11 -7.212 9.799 -2.905
50 HG2 LYS 11 1HG LYS 11 -8.986 11.144 -3.667
51 HG3 LYS 11 2HG LYS 11 -8.956 10.408 -5.272
52 HD2 LYS 11 1HD LYS 11 -10.734 9.288 -4.381
53 HD3 LYS 11 2HD LYS 11 -9.432 8.211 -3.868
54 HE2 LYS 11 1HE LYS 11 -10.659 8.493 -1.922
55 HE3 LYS 11 2HE LYS 11 -9.371 9.684 -1.744
56 HZ1 LYS 11 3HZ LYS 11 -12.225 10.098 -2.265
57 HZ2 LYS 11 1HZ LYS 11 -11.126 11.217 -2.899
58 HZ3 LYS 11 2HZ LYS 11 -11.185 10.941 -1.231
59 HA PRO 12 HA PRO 12 -5.765 10.479 -8.864
60 HB2 PRO 12 1HB PRO 12 -3.114 10.101 -9.310
61 HB3 PRO 12 2HB PRO 12 -3.821 11.694 -9.017
62 HG2 PRO 12 1HG PRO 12 -2.384 9.881 -7.117
63 HG3 PRO 12 2HG PRO 12 -2.234 11.636 -7.319
64 HD2 PRO 12 1HD PRO 12 -3.691 10.517 -5.329
65 HD3 PRO 12 2HD PRO 12 -4.127 12.067 -6.077
66 H TYR 13 H TYR 13 -3.863 8.307 -6.800
67 HA TYR 13 HA TYR 13 -4.488 6.100 -8.647
68 HB2 TYR 13 1HB TYR 13 -2.199 6.538 -6.740
69 HB3 TYR 13 2HB TYR 13 -2.586 4.937 -7.360
70 HD1 TYR 13 HD2 TYR 13 -2.421 4.492 -9.806
71 HD2 TYR 13 HD1 TYR 13 -1.077 8.146 -8.089
72 HE1 TYR 13 HE2 TYR 13 -1.109 4.957 -11.834
73 HE2 TYR 13 HE1 TYR 13 0.237 8.621 -10.113
74 HH TYR 13 HH TYR 13 0.994 6.360 -12.386
75 H LYS 14 H LYS 14 -5.623 4.379 -7.948
76 HA LYS 14 HA LYS 14 -6.243 4.203 -5.076
77 HB2 LYS 14 1HB LYS 14 -8.176 5.171 -6.159
78 HB3 LYS 14 2HB LYS 14 -8.164 3.917 -7.392
79 HG2 LYS 14 1HG LYS 14 -9.893 3.360 -5.894
80 HG3 LYS 14 2HG LYS 14 -8.564 2.254 -5.541
81 HD2 LYS 14 1HD LYS 14 -9.349 2.978 -3.442
82 HD3 LYS 14 2HD LYS 14 -7.875 3.904 -3.732
83 HE2 LYS 14 1HE LYS 14 -9.542 5.392 -2.870
84 HE3 LYS 14 2HE LYS 14 -9.289 5.770 -4.574
85 HZ1 LYS 14 3HZ LYS 14 -11.305 4.771 -5.161
86 HZ2 LYS 14 1HZ LYS 14 -11.669 5.652 -3.763
87 HZ3 LYS 14 2HZ LYS 14 -11.463 3.976 -3.677
88 H CYS 15 H CYS 15 -5.894 2.261 -4.214
89 HA CYS 15 HA CYS 15 -4.958 0.106 -5.867
90 HB2 CYS 15 1HB CYS 15 -4.038 0.663 -3.592
91 HB3 CYS 15 2HB CYS 15 -5.538 0.051 -2.902
92 H ASN 16 H ASN 16 -6.329 -1.137 -6.956
93 HA ASN 16 HA ASN 16 -9.052 -1.513 -6.081
94 HB2 ASN 16 1HB ASN 16 -9.037 -3.087 -8.159
95 HB3 ASN 16 2HB ASN 16 -8.923 -1.346 -8.400
96 HD21 ASN 16 1HD2 ASN 16 -6.733 -4.060 -7.727
97 HD22 ASN 16 2HD2 ASN 16 -5.549 -3.614 -8.903
98 H GLU 17 H GLU 17 -7.249 -2.513 -4.203
99 HA GLU 17 HA GLU 17 -7.871 -5.383 -4.337
100 HB2 GLU 17 1HB GLU 17 -5.299 -4.230 -3.246
101 HB3 GLU 17 2HB GLU 17 -5.730 -5.932 -3.328
102 HG2 GLU 17 1HG GLU 17 -5.707 -4.375 -5.854
103 HG3 GLU 17 2HG GLU 17 -4.162 -4.801 -5.119
104 H CYS 18 H CYS 18 -7.249 -2.539 -2.369
105 HA CYS 18 HA CYS 18 -8.808 -3.775 -0.207
106 HB2 CYS 18 1HB CYS 18 -7.297 -2.634 1.438
107 HB3 CYS 18 2HB CYS 18 -6.531 -3.938 0.536
108 H GLY 19 H GLY 19 -7.417 -0.727 -1.417
109 HA2 GLY 19 1HA GLY 19 -9.295 0.909 -1.989
110 HA3 GLY 19 2HA GLY 19 -9.758 0.682 -0.308
111 H LYS 20 H LYS 20 -6.427 0.811 -1.379
112 HA LYS 20 HA LYS 20 -5.977 3.095 0.358
113 HB2 LYS 20 1HB LYS 20 -4.215 1.138 -1.070
114 HB3 LYS 20 2HB LYS 20 -3.539 2.656 -0.494
115 HG2 LYS 20 1HG LYS 20 -5.127 1.017 1.407
116 HG3 LYS 20 2HG LYS 20 -3.502 0.475 0.980
117 HD2 LYS 20 1HD LYS 20 -2.994 1.807 2.762
118 HD3 LYS 20 2HD LYS 20 -2.926 3.014 1.476
119 HE2 LYS 20 1HE LYS 20 -5.089 3.828 2.008
120 HE3 LYS 20 2HE LYS 20 -5.419 2.458 3.067
121 HZ1 LYS 20 3HZ LYS 20 -4.741 3.783 4.702
122 HZ2 LYS 20 1HZ LYS 20 -4.070 4.917 3.641
123 HZ3 LYS 20 2HZ LYS 20 -3.168 3.568 4.117
124 H ALA 21 H ALA 21 -4.774 4.971 -0.352
125 HA ALA 21 HA ALA 21 -4.971 5.525 -3.232
126 HB1 ALA 21 3HB ALA 21 -6.876 6.629 -2.490
127 HB2 ALA 21 1HB ALA 21 -6.114 7.140 -0.984
128 HB3 ALA 21 2HB ALA 21 -5.656 7.902 -2.507
129 H PHE 22 H PHE 22 -3.063 6.122 -3.998
130 HA PHE 22 HA PHE 22 -1.142 7.392 -2.164
131 HB2 PHE 22 1HB PHE 22 -0.533 5.873 -4.707
132 HB3 PHE 22 2HB PHE 22 0.634 6.477 -3.535
133 HD1 PHE 22 HD2 PHE 22 -2.120 4.054 -4.013
134 HD2 PHE 22 HD1 PHE 22 1.239 5.202 -1.665
135 HE1 PHE 22 HE2 PHE 22 -2.241 1.916 -2.801
136 HE2 PHE 22 HE1 PHE 22 1.124 3.066 -0.449
137 HZ PHE 22 HZ PHE 22 -0.618 1.420 -1.016
138 H ARG 23 H ARG 23 0.511 8.783 -3.377
139 HA ARG 23 HA ARG 23 -0.983 10.755 -4.888
140 HB2 ARG 23 1HB ARG 23 1.683 10.680 -3.539
141 HB3 ARG 23 2HB ARG 23 1.394 11.889 -4.782
142 HG2 ARG 23 1HG ARG 23 0.750 13.073 -2.957
143 HG3 ARG 23 2HG ARG 23 -0.791 12.310 -3.354
144 HD2 ARG 23 1HD ARG 23 -0.538 11.987 -1.045
145 HD3 ARG 23 2HD ARG 23 -0.086 10.444 -1.770
146 HE ARG 23 HE ARG 23 2.274 11.769 -1.539
147 HH11 ARG 23 1HH1 ARG 23 -0.286 10.966 0.679
148 HH12 ARG 23 2HH1 ARG 23 0.762 10.863 2.055
149 HH21 ARG 23 1HH2 ARG 23 3.664 11.636 0.264
150 HH22 ARG 23 2HH2 ARG 23 3.008 11.245 1.818
151 H ALA 24 H ALA 24 1.681 8.508 -5.380
152 HA ALA 24 HA ALA 24 1.474 9.007 -8.271
153 HB1 ALA 24 3HB ALA 24 4.117 8.359 -7.028
154 HB2 ALA 24 1HB ALA 24 3.768 9.109 -8.586
155 HB3 ALA 24 2HB ALA 24 3.540 10.024 -7.095
156 H ARG 25 H ARG 25 2.756 7.173 -9.465
157 HA ARG 25 HA ARG 25 1.435 4.745 -8.874
158 HB2 ARG 25 1HB ARG 25 2.433 5.692 -11.121
159 HB3 ARG 25 2HB ARG 25 3.866 4.809 -10.611
160 HG2 ARG 25 1HG ARG 25 2.811 2.749 -10.770
161 HG3 ARG 25 2HG ARG 25 1.198 3.462 -10.698
162 HD2 ARG 25 1HD ARG 25 1.618 2.733 -12.946
163 HD3 ARG 25 2HD ARG 25 1.616 4.496 -12.915
164 HE ARG 25 HE ARG 25 4.243 3.757 -12.597
165 HH11 ARG 25 1HH1 ARG 25 1.759 3.254 -14.983
166 HH12 ARG 25 2HH1 ARG 25 2.870 3.149 -16.308
167 HH21 ARG 25 1HH2 ARG 25 5.717 3.621 -14.334
168 HH22 ARG 25 2HH2 ARG 25 5.121 3.357 -15.937
169 H SER 26 H SER 26 4.932 5.467 -8.877
170 HA SER 26 HA SER 26 5.995 3.206 -7.895
171 HB2 SER 26 1HB SER 26 7.090 5.535 -8.314
172 HB3 SER 26 2HB SER 26 6.818 5.783 -6.589
173 HG SER 26 HG SER 26 8.046 3.417 -7.461
174 H SER 27 H SER 27 4.386 5.675 -5.923
175 HA SER 27 HA SER 27 4.805 4.441 -3.429
176 HB2 SER 27 1HB SER 27 2.564 6.285 -4.296
177 HB3 SER 27 2HB SER 27 2.972 5.890 -2.627
178 HG SER 27 HG SER 27 3.954 7.837 -4.029
179 H LEU 28 H LEU 28 2.249 4.106 -5.833
180 HA LEU 28 HA LEU 28 0.572 2.458 -4.223
181 HB2 LEU 28 1HB LEU 28 -0.480 3.611 -5.978
182 HB3 LEU 28 2HB LEU 28 0.706 3.062 -7.160
183 HG LEU 28 HG LEU 28 -0.252 0.721 -6.760
184 HD11 LEU 28 1HD1 LEU 28 -2.569 2.324 -5.695
185 HD12 LEU 28 2HD1 LEU 28 -1.482 1.361 -4.696
186 HD13 LEU 28 3HD1 LEU 28 -2.487 0.576 -5.914
187 HD21 LEU 28 3HD2 LEU 28 -0.991 2.835 -8.476
188 HD22 LEU 28 1HD2 LEU 28 -2.475 2.009 -8.004
189 HD23 LEU 28 2HD2 LEU 28 -1.159 1.100 -8.748
190 H ALA 29 H ALA 29 2.961 1.809 -6.760
191 HA ALA 29 HA ALA 29 2.621 -0.943 -6.983
192 HB1 ALA 29 3HB ALA 29 4.008 0.460 -8.485
193 HB2 ALA 29 1HB ALA 29 5.232 0.544 -7.218
194 HB3 ALA 29 2HB ALA 29 4.822 -1.009 -7.947
195 H ILE 30 H ILE 30 5.122 0.731 -5.059
196 HA ILE 30 HA ILE 30 6.296 -1.323 -3.766
197 HB ILE 30 HB ILE 30 5.436 1.261 -2.459
198 HG12 ILE 30 1HG1 ILE 30 8.147 0.612 -3.597
199 HG13 ILE 30 2HG1 ILE 30 6.874 1.305 -4.596
200 HG21 ILE 30 1HG2 ILE 30 7.887 -0.069 -1.551
201 HG22 ILE 30 2HG2 ILE 30 6.617 0.731 -0.625
202 HG23 ILE 30 3HG2 ILE 30 6.395 -0.931 -1.173
203 HD11 ILE 30 3HD1 ILE 30 6.764 3.238 -3.122
204 HD12 ILE 30 1HD1 ILE 30 8.027 2.541 -2.107
205 HD13 ILE 30 2HD1 ILE 30 8.389 3.013 -3.768
206 H HIS 31 H HIS 31 3.124 0.024 -3.018
207 HA HIS 31 HA HIS 31 2.711 -1.563 -0.681
208 HB2 HIS 31 1HB HIS 31 1.409 0.373 -0.718
209 HB3 HIS 31 2HB HIS 31 0.957 0.155 -2.406
210 HD1 HIS 31 HD1 HIS 31 0.358 -1.662 0.889
211 HD2 HIS 31 HD2 HIS 31 -1.568 -0.756 -2.679
212 HE1 HIS 31 HE1 HIS 31 -1.972 -2.578 1.131
213 H GLN 32 H GLN 32 1.480 -1.761 -4.016
214 HA GLN 32 HA GLN 32 -0.106 -3.996 -3.803
215 HB2 GLN 32 1HB GLN 32 1.671 -3.140 -6.090
216 HB3 GLN 32 2HB GLN 32 0.463 -4.412 -6.215
217 HG2 GLN 32 1HG GLN 32 -1.211 -2.651 -5.429
218 HG3 GLN 32 2HG GLN 32 0.051 -1.476 -5.795
219 HE21 GLN 32 1HE2 GLN 32 -1.466 -0.626 -7.340
220 HE22 GLN 32 2HE2 GLN 32 -1.608 -1.360 -8.897
221 H ALA 33 H ALA 33 3.287 -3.791 -3.463
222 HA ALA 33 HA ALA 33 3.835 -6.548 -4.109
223 HB1 ALA 33 3HB ALA 33 5.536 -4.422 -2.814
224 HB2 ALA 33 1HB ALA 33 6.101 -6.037 -3.242
225 HB3 ALA 33 2HB ALA 33 5.566 -4.926 -4.503
226 H THR 34 H THR 34 1.984 -5.536 -1.817
227 HA THR 34 HA THR 34 3.173 -7.197 0.308
228 HB THR 34 HB THR 34 1.778 -5.962 1.912
229 HG1 THR 34 HG1 THR 34 0.935 -3.869 0.855
230 HG21 THR 34 3HG2 THR 34 3.171 -4.129 2.084
231 HG22 THR 34 1HG2 THR 34 3.193 -3.848 0.344
232 HG23 THR 34 2HG2 THR 34 4.118 -5.182 1.033
233 H HIS 35 H HIS 35 0.382 -6.617 -1.689
234 HA HIS 35 HA HIS 35 -1.490 -8.201 -0.305
235 HB2 HIS 35 1HB HIS 35 -1.249 -7.314 -3.169
236 HB3 HIS 35 2HB HIS 35 -2.549 -8.385 -2.656
237 HD1 HIS 35 HD1 HIS 35 -4.322 -7.384 -1.011
238 HD2 HIS 35 HD2 HIS 35 -1.538 -4.655 -2.445
239 HE1 HIS 35 HE1 HIS 35 -5.262 -5.116 -0.467
240 H SER 36 H SER 36 0.658 -8.982 -3.032
241 HA SER 36 HA SER 36 0.031 -11.481 -3.714
242 HB2 SER 36 1HB SER 36 2.310 -11.906 -4.252
243 HB3 SER 36 2HB SER 36 2.099 -10.162 -4.402
244 HG SER 36 HG SER 36 3.768 -11.526 -2.804
245 H GLY 37 H GLY 37 -0.206 -13.435 -2.820
246 HA2 GLY 37 1HA GLY 37 1.315 -14.435 -0.667
247 HA3 GLY 37 2HA GLY 37 -0.207 -13.811 -0.048
248 H GLU 38 H GLU 38 1.314 -16.524 -1.132
249 HA GLU 38 HA GLU 38 -1.161 -17.991 -1.262
250 HB2 GLU 38 1HB GLU 38 -0.887 -18.908 -3.465
251 HB3 GLU 38 2HB GLU 38 -0.873 -17.155 -3.594
252 HG2 GLU 38 1HG GLU 38 1.723 -17.480 -3.430
253 HG3 GLU 38 2HG GLU 38 1.335 -19.105 -3.992
254 H LYS 39 H LYS 39 -0.760 -20.358 -1.493
255 HA LYS 39 HA LYS 39 0.194 -22.206 -0.543
256 HB2 LYS 39 1HB LYS 39 2.295 -20.971 -2.264
257 HB3 LYS 39 2HB LYS 39 2.749 -22.332 -1.248
258 HG2 LYS 39 1HG LYS 39 1.348 -23.802 -2.367
259 HG3 LYS 39 2HG LYS 39 0.357 -22.503 -3.034
260 HD2 LYS 39 1HD LYS 39 1.954 -21.951 -4.645
261 HD3 LYS 39 2HD LYS 39 3.249 -22.779 -3.777
262 HE2 LYS 39 1HE LYS 39 1.755 -24.892 -4.206
263 HE3 LYS 39 2HE LYS 39 1.091 -23.902 -5.505
264 HZ1 LYS 39 3HZ LYS 39 3.983 -23.967 -5.357
265 HZ2 LYS 39 1HZ LYS 39 2.963 -24.072 -6.703
266 HZ3 LYS 39 2HZ LYS 39 3.257 -25.442 -5.756
267 HA PRO 40 HA PRO 40 2.209 -19.600 2.854
268 HB2 PRO 40 1HB PRO 40 0.186 -19.784 4.654
269 HB3 PRO 40 2HB PRO 40 0.295 -18.484 3.462
270 HG2 PRO 40 1HG PRO 40 -1.344 -20.988 3.390
271 HG3 PRO 40 2HG PRO 40 -1.806 -19.335 2.942
272 HD2 PRO 40 1HD PRO 40 -1.131 -21.207 1.106
273 HD3 PRO 40 2HD PRO 40 -0.798 -19.479 0.875
274 H SER 41 H SER 41 3.575 -20.735 4.069
275 HA SER 41 HA SER 41 2.958 -23.515 4.702
276 HB2 SER 41 1HB SER 41 5.138 -23.038 3.690
277 HB3 SER 41 2HB SER 41 5.528 -21.944 5.016
278 HG SER 41 HG SER 41 6.158 -23.612 6.107
279 H GLY 42 H GLY 42 1.363 -23.012 6.326
280 HA2 GLY 42 1HA GLY 42 1.689 -23.470 8.832
281 HA3 GLY 42 2HA GLY 42 2.478 -21.900 8.817
282 HA PRO 43 HA PRO 43 -2.211 -21.119 7.867
283 HB2 PRO 43 1HB PRO 43 -3.879 -23.216 8.302
284 HB3 PRO 43 2HB PRO 43 -3.126 -22.896 6.735
285 HG2 PRO 43 1HG PRO 43 -2.316 -24.838 8.864
286 HG3 PRO 43 2HG PRO 43 -2.381 -25.067 7.107
287 HD2 PRO 43 1HD PRO 43 -0.070 -24.569 8.427
288 HD3 PRO 43 2HD PRO 43 -0.362 -24.008 6.768
289 H SER 44 H SER 44 -0.653 -22.398 10.471
290 HA SER 44 HA SER 44 -2.301 -22.826 12.543
291 HB2 SER 44 1HB SER 44 -0.666 -21.780 14.020
292 HB3 SER 44 2HB SER 44 0.167 -22.647 12.730
293 HG SER 44 HG SER 44 -0.427 -19.965 12.284
294 H SER 45 H SER 45 -1.889 -19.776 10.889
295 HA SER 45 HA SER 45 -3.720 -18.467 12.772
296 HB2 SER 45 1HB SER 45 -3.032 -16.365 11.586
297 HB3 SER 45 2HB SER 45 -1.701 -17.207 12.380
298 HG SER 45 HG SER 45 -2.359 -17.400 9.624
299 H GLY 46 H GLY 46 -5.717 -19.205 12.144
300 HA2 GLY 46 1HA GLY 46 -7.670 -18.606 10.925
301 HA3 GLY 46 2HA GLY 46 -6.653 -18.193 9.553
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -15.656 7.468 -11.101
2 HA2 GLY 1 1HA GLY 1 -17.637 5.952 -11.038
3 HA3 GLY 1 2HA GLY 1 -17.581 6.141 -9.292
4 H SER 2 H SER 2 -19.883 6.757 -9.768
5 HA SER 2 HA SER 2 -20.076 9.587 -10.557
6 HB2 SER 2 1HB SER 2 -22.484 9.123 -10.961
7 HB3 SER 2 2HB SER 2 -21.427 8.130 -11.965
8 HG SER 2 HG SER 2 -21.758 6.417 -10.504
9 H SER 3 H SER 3 -19.156 8.998 -8.008
10 HA SER 3 HA SER 3 -20.974 10.470 -6.408
11 HB2 SER 3 1HB SER 3 -21.710 8.850 -4.844
12 HB3 SER 3 2HB SER 3 -21.994 8.121 -6.425
13 HG SER 3 HG SER 3 -20.246 7.385 -4.424
14 H GLY 4 H GLY 4 -19.896 11.464 -4.796
15 HA2 GLY 4 1HA GLY 4 -18.241 11.900 -3.240
16 HA3 GLY 4 2HA GLY 4 -17.593 10.293 -3.535
17 H SER 5 H SER 5 -17.767 13.562 -4.889
18 HA SER 5 HA SER 5 -15.057 13.164 -5.956
19 HB2 SER 5 1HB SER 5 -15.620 14.319 -8.005
20 HB3 SER 5 2HB SER 5 -16.749 12.982 -7.789
21 HG SER 5 HG SER 5 -18.324 14.401 -7.205
22 H SER 6 H SER 6 -17.575 15.509 -5.097
23 HA SER 6 HA SER 6 -16.370 17.895 -5.191
24 HB2 SER 6 1HB SER 6 -17.916 16.824 -2.819
25 HB3 SER 6 2HB SER 6 -17.571 18.530 -3.102
26 HG SER 6 HG SER 6 -18.829 17.001 -5.098
27 H GLY 7 H GLY 7 -14.855 19.096 -4.089
28 HA2 GLY 7 1HA GLY 7 -13.492 19.347 -2.045
29 HA3 GLY 7 2HA GLY 7 -13.230 17.611 -2.116
30 H THR 8 H THR 8 -11.005 18.932 -1.899
31 HA THR 8 HA THR 8 -9.828 20.054 -4.168
32 HB THR 8 HB THR 8 -7.641 19.407 -3.123
33 HG1 THR 8 HG1 THR 8 -9.404 17.927 -1.527
34 HG21 THR 8 3HG2 THR 8 -9.466 20.571 -1.042
35 HG22 THR 8 1HG2 THR 8 -9.075 21.455 -2.516
36 HG23 THR 8 2HG2 THR 8 -7.791 20.988 -1.401
37 H GLY 9 H GLY 9 -10.312 16.712 -3.256
38 HA2 GLY 9 1HA GLY 9 -9.826 14.737 -4.328
39 HA3 GLY 9 2HA GLY 9 -10.118 15.659 -5.795
40 H GLU 10 H GLU 10 -7.708 14.396 -3.622
41 HA GLU 10 HA GLU 10 -5.663 14.961 -5.662
42 HB2 GLU 10 1HB GLU 10 -5.470 16.405 -3.588
43 HB3 GLU 10 2HB GLU 10 -5.123 14.933 -2.693
44 HG2 GLU 10 1HG GLU 10 -3.290 14.639 -4.563
45 HG3 GLU 10 2HG GLU 10 -3.460 16.390 -4.672
46 H LYS 11 H LYS 11 -7.144 12.621 -5.602
47 HA LYS 11 HA LYS 11 -5.143 10.665 -4.677
48 HB2 LYS 11 1HB LYS 11 -8.150 10.515 -4.637
49 HB3 LYS 11 2HB LYS 11 -7.154 9.066 -4.582
50 HG2 LYS 11 1HG LYS 11 -7.441 9.402 -2.357
51 HG3 LYS 11 2HG LYS 11 -5.990 10.378 -2.603
52 HD2 LYS 11 1HD LYS 11 -7.281 11.877 -1.454
53 HD3 LYS 11 2HD LYS 11 -7.769 12.265 -3.106
54 HE2 LYS 11 1HE LYS 11 -9.238 10.287 -1.376
55 HE3 LYS 11 2HE LYS 11 -9.638 12.004 -1.424
56 HZ1 LYS 11 3HZ LYS 11 -11.062 10.972 -2.952
57 HZ2 LYS 11 1HZ LYS 11 -9.828 10.025 -3.617
58 HZ3 LYS 11 2HZ LYS 11 -9.864 11.691 -3.905
59 HA PRO 12 HA PRO 12 -5.522 10.362 -9.279
60 HB2 PRO 12 1HB PRO 12 -2.858 10.050 -9.700
61 HB3 PRO 12 2HB PRO 12 -3.630 11.634 -9.566
62 HG2 PRO 12 1HG PRO 12 -2.116 10.084 -7.500
63 HG3 PRO 12 2HG PRO 12 -2.039 11.815 -7.880
64 HD2 PRO 12 1HD PRO 12 -3.445 10.845 -5.779
65 HD3 PRO 12 2HD PRO 12 -3.947 12.292 -6.678
66 H TYR 13 H TYR 13 -3.747 8.466 -6.899
67 HA TYR 13 HA TYR 13 -4.229 6.064 -8.538
68 HB2 TYR 13 1HB TYR 13 -1.936 6.722 -6.691
69 HB3 TYR 13 2HB TYR 13 -2.264 5.087 -7.253
70 HD1 TYR 13 HD2 TYR 13 -2.390 4.761 -9.828
71 HD2 TYR 13 HD1 TYR 13 -0.577 8.123 -7.954
72 HE1 TYR 13 HE2 TYR 13 -1.102 5.202 -11.877
73 HE2 TYR 13 HE1 TYR 13 0.714 8.574 -9.998
74 HH TYR 13 HH TYR 13 0.003 7.267 -12.947
75 H LYS 14 H LYS 14 -5.154 4.306 -7.584
76 HA LYS 14 HA LYS 14 -5.502 4.164 -4.720
77 HB2 LYS 14 1HB LYS 14 -7.358 5.666 -5.715
78 HB3 LYS 14 2HB LYS 14 -8.011 4.173 -6.376
79 HG2 LYS 14 1HG LYS 14 -8.441 3.288 -4.250
80 HG3 LYS 14 2HG LYS 14 -7.407 4.477 -3.454
81 HD2 LYS 14 1HD LYS 14 -9.097 6.190 -4.490
82 HD3 LYS 14 2HD LYS 14 -10.167 4.787 -4.554
83 HE2 LYS 14 1HE LYS 14 -8.715 5.334 -2.018
84 HE3 LYS 14 2HE LYS 14 -10.069 6.381 -2.441
85 HZ1 LYS 14 3HZ LYS 14 -11.011 4.674 -1.194
86 HZ2 LYS 14 1HZ LYS 14 -10.086 3.469 -1.940
87 HZ3 LYS 14 2HZ LYS 14 -11.340 4.220 -2.790
88 H CYS 15 H CYS 15 -5.770 2.101 -4.021
89 HA CYS 15 HA CYS 15 -5.514 0.004 -5.995
90 HB2 CYS 15 1HB CYS 15 -4.228 0.099 -3.809
91 HB3 CYS 15 2HB CYS 15 -5.735 -0.323 -3.002
92 H ASN 16 H ASN 16 -6.917 -1.762 -6.241
93 HA ASN 16 HA ASN 16 -9.688 -1.183 -5.455
94 HB2 ASN 16 1HB ASN 16 -10.207 -2.892 -7.295
95 HB3 ASN 16 2HB ASN 16 -9.569 -1.333 -7.807
96 HD21 ASN 16 1HD2 ASN 16 -8.922 -4.721 -7.452
97 HD22 ASN 16 2HD2 ASN 16 -7.484 -4.756 -8.409
98 H GLU 17 H GLU 17 -7.119 -3.107 -4.602
99 HA GLU 17 HA GLU 17 -8.649 -5.483 -3.953
100 HB2 GLU 17 1HB GLU 17 -5.780 -4.753 -3.337
101 HB3 GLU 17 2HB GLU 17 -6.516 -6.319 -3.029
102 HG2 GLU 17 1HG GLU 17 -6.597 -5.224 -5.791
103 HG3 GLU 17 2HG GLU 17 -5.081 -5.883 -5.179
104 H CYS 18 H CYS 18 -7.017 -2.850 -2.226
105 HA CYS 18 HA CYS 18 -8.488 -3.640 0.203
106 HB2 CYS 18 1HB CYS 18 -6.689 -2.501 1.480
107 HB3 CYS 18 2HB CYS 18 -6.098 -3.867 0.539
108 H GLY 19 H GLY 19 -7.247 -0.867 -1.638
109 HA2 GLY 19 1HA GLY 19 -8.843 0.927 -2.135
110 HA3 GLY 19 2HA GLY 19 -9.456 0.731 -0.499
111 H LYS 20 H LYS 20 -6.043 0.671 -1.249
112 HA LYS 20 HA LYS 20 -5.636 2.955 0.497
113 HB2 LYS 20 1HB LYS 20 -4.253 0.759 0.450
114 HB3 LYS 20 2HB LYS 20 -3.451 1.477 -0.941
115 HG2 LYS 20 1HG LYS 20 -2.133 1.932 0.986
116 HG3 LYS 20 2HG LYS 20 -2.892 3.444 0.482
117 HD2 LYS 20 1HD LYS 20 -4.588 3.191 2.206
118 HD3 LYS 20 2HD LYS 20 -3.897 1.638 2.683
119 HE2 LYS 20 1HE LYS 20 -2.449 4.281 2.796
120 HE3 LYS 20 2HE LYS 20 -3.234 3.503 4.170
121 HZ1 LYS 20 3HZ LYS 20 -0.776 2.750 2.762
122 HZ2 LYS 20 1HZ LYS 20 -1.710 1.522 3.457
123 HZ3 LYS 20 2HZ LYS 20 -1.104 2.771 4.422
124 H ALA 21 H ALA 21 -5.741 4.933 -0.326
125 HA ALA 21 HA ALA 21 -5.156 5.391 -3.141
126 HB1 ALA 21 3HB ALA 21 -5.844 7.687 -1.433
127 HB2 ALA 21 1HB ALA 21 -6.483 7.205 -3.005
128 HB3 ALA 21 2HB ALA 21 -7.067 6.421 -1.537
129 H PHE 22 H PHE 22 -3.289 6.167 -3.870
130 HA PHE 22 HA PHE 22 -1.400 7.305 -1.919
131 HB2 PHE 22 1HB PHE 22 -0.758 5.993 -4.567
132 HB3 PHE 22 2HB PHE 22 0.399 6.530 -3.354
133 HD1 PHE 22 HD2 PHE 22 -2.311 4.100 -4.011
134 HD2 PHE 22 HD1 PHE 22 1.021 5.138 -1.574
135 HE1 PHE 22 HE2 PHE 22 -2.396 1.880 -2.955
136 HE2 PHE 22 HE1 PHE 22 0.941 2.919 -0.514
137 HZ PHE 22 HZ PHE 22 -0.770 1.287 -1.203
138 H ARG 23 H ARG 23 0.377 8.609 -3.326
139 HA ARG 23 HA ARG 23 -1.171 10.738 -4.612
140 HB2 ARG 23 1HB ARG 23 0.560 11.010 -2.632
141 HB3 ARG 23 2HB ARG 23 1.725 11.027 -3.948
142 HG2 ARG 23 1HG ARG 23 0.274 12.856 -4.977
143 HG3 ARG 23 2HG ARG 23 -0.497 12.958 -3.393
144 HD2 ARG 23 1HD ARG 23 1.441 13.703 -2.357
145 HD3 ARG 23 2HD ARG 23 2.482 13.071 -3.633
146 HE ARG 23 HE ARG 23 0.705 15.197 -4.450
147 HH11 ARG 23 1HH1 ARG 23 3.844 14.352 -3.205
148 HH12 ARG 23 2HH1 ARG 23 4.593 15.822 -3.733
149 HH21 ARG 23 1HH2 ARG 23 1.680 17.137 -5.150
150 HH22 ARG 23 2HH2 ARG 23 3.361 17.406 -4.839
151 H ALA 24 H ALA 24 1.281 8.362 -5.228
152 HA ALA 24 HA ALA 24 1.205 9.047 -8.064
153 HB1 ALA 24 3HB ALA 24 3.389 9.548 -8.332
154 HB2 ALA 24 1HB ALA 24 3.268 10.017 -6.636
155 HB3 ALA 24 2HB ALA 24 3.912 8.433 -7.069
156 H ARG 25 H ARG 25 2.487 7.332 -9.343
157 HA ARG 25 HA ARG 25 1.363 4.810 -8.789
158 HB2 ARG 25 1HB ARG 25 2.249 5.867 -11.025
159 HB3 ARG 25 2HB ARG 25 3.758 5.093 -10.560
160 HG2 ARG 25 1HG ARG 25 2.694 2.930 -10.536
161 HG3 ARG 25 2HG ARG 25 1.124 3.668 -10.864
162 HD2 ARG 25 1HD ARG 25 1.694 3.048 -12.983
163 HD3 ARG 25 2HD ARG 25 2.428 4.651 -12.944
164 HE ARG 25 HE ARG 25 4.208 2.573 -12.087
165 HH11 ARG 25 1HH1 ARG 25 2.907 4.245 -14.850
166 HH12 ARG 25 2HH1 ARG 25 4.262 3.888 -15.868
167 HH21 ARG 25 1HH2 ARG 25 5.998 2.097 -13.418
168 HH22 ARG 25 2HH2 ARG 25 6.020 2.665 -15.053
169 H SER 26 H SER 26 4.789 5.811 -8.747
170 HA SER 26 HA SER 26 6.017 3.574 -7.867
171 HB2 SER 26 1HB SER 26 6.907 6.033 -8.204
172 HB3 SER 26 2HB SER 26 6.718 6.119 -6.452
173 HG SER 26 HG SER 26 8.690 5.008 -7.836
174 H SER 27 H SER 27 4.228 5.856 -5.832
175 HA SER 27 HA SER 27 4.768 4.598 -3.368
176 HB2 SER 27 1HB SER 27 2.434 6.334 -4.207
177 HB3 SER 27 2HB SER 27 2.787 5.870 -2.542
178 HG SER 27 HG SER 27 3.637 7.947 -3.157
179 H LEU 28 H LEU 28 2.303 4.078 -5.812
180 HA LEU 28 HA LEU 28 0.718 2.303 -4.230
181 HB2 LEU 28 1HB LEU 28 -0.361 3.442 -6.005
182 HB3 LEU 28 2HB LEU 28 0.838 2.896 -7.175
183 HG LEU 28 HG LEU 28 -0.090 0.522 -6.566
184 HD11 LEU 28 1HD1 LEU 28 -1.894 2.290 -5.170
185 HD12 LEU 28 2HD1 LEU 28 -1.772 0.531 -5.116
186 HD13 LEU 28 3HD1 LEU 28 -2.748 1.309 -6.362
187 HD21 LEU 28 3HD2 LEU 28 -1.463 2.550 -8.318
188 HD22 LEU 28 1HD2 LEU 28 -1.834 0.825 -8.342
189 HD23 LEU 28 2HD2 LEU 28 -0.220 1.386 -8.779
190 H ALA 29 H ALA 29 3.262 1.902 -6.646
191 HA ALA 29 HA ALA 29 3.135 -0.833 -7.053
192 HB1 ALA 29 3HB ALA 29 5.873 -0.129 -6.966
193 HB2 ALA 29 1HB ALA 29 4.832 -0.311 -8.379
194 HB3 ALA 29 2HB ALA 29 4.987 1.261 -7.593
195 H ILE 30 H ILE 30 5.296 0.827 -4.743
196 HA ILE 30 HA ILE 30 6.413 -1.286 -3.464
197 HB ILE 30 HB ILE 30 5.362 1.196 -2.100
198 HG12 ILE 30 1HG1 ILE 30 8.210 0.783 -2.918
199 HG13 ILE 30 2HG1 ILE 30 7.039 1.287 -4.132
200 HG21 ILE 30 1HG2 ILE 30 7.780 -0.031 -1.039
201 HG22 ILE 30 2HG2 ILE 30 6.337 0.540 -0.201
202 HG23 ILE 30 3HG2 ILE 30 6.362 -1.073 -0.915
203 HD11 ILE 30 3HD1 ILE 30 7.855 3.300 -3.418
204 HD12 ILE 30 1HD1 ILE 30 6.446 3.119 -2.374
205 HD13 ILE 30 2HD1 ILE 30 8.057 2.754 -1.753
206 H HIS 31 H HIS 31 3.143 -0.061 -3.008
207 HA HIS 31 HA HIS 31 2.520 -1.720 -0.779
208 HB2 HIS 31 1HB HIS 31 1.080 0.074 -0.882
209 HB3 HIS 31 2HB HIS 31 0.978 0.028 -2.640
210 HD1 HIS 31 HD1 HIS 31 0.001 -2.480 0.063
211 HD2 HIS 31 HD2 HIS 31 -1.559 -0.595 -3.295
212 HE1 HIS 31 HE1 HIS 31 -2.324 -3.401 -0.207
213 H GLN 32 H GLN 32 1.998 -1.988 -4.269
214 HA GLN 32 HA GLN 32 0.389 -4.234 -4.347
215 HB2 GLN 32 1HB GLN 32 2.547 -3.289 -6.227
216 HB3 GLN 32 2HB GLN 32 1.534 -4.683 -6.579
217 HG2 GLN 32 1HG GLN 32 0.619 -1.846 -6.176
218 HG3 GLN 32 2HG GLN 32 0.662 -2.743 -7.693
219 HE21 GLN 32 1HE2 GLN 32 -1.549 -1.462 -6.162
220 HE22 GLN 32 2HE2 GLN 32 -2.737 -2.702 -5.974
221 H ALA 33 H ALA 33 3.592 -3.976 -3.248
222 HA ALA 33 HA ALA 33 4.348 -6.710 -3.772
223 HB1 ALA 33 3HB ALA 33 5.990 -4.842 -3.667
224 HB2 ALA 33 1HB ALA 33 5.682 -4.730 -1.934
225 HB3 ALA 33 2HB ALA 33 6.381 -6.200 -2.613
226 H THR 34 H THR 34 1.969 -5.813 -2.001
227 HA THR 34 HA THR 34 2.653 -7.512 0.310
228 HB THR 34 HB THR 34 2.096 -4.993 0.688
229 HG1 THR 34 HG1 THR 34 2.243 -6.626 2.340
230 HG21 THR 34 3HG2 THR 34 -0.269 -4.517 0.971
231 HG22 THR 34 1HG2 THR 34 -0.685 -6.146 0.438
232 HG23 THR 34 2HG2 THR 34 0.049 -5.008 -0.693
233 H HIS 35 H HIS 35 0.409 -6.832 -2.250
234 HA HIS 35 HA HIS 35 -1.637 -8.613 -1.285
235 HB2 HIS 35 1HB HIS 35 -1.223 -7.066 -3.830
236 HB3 HIS 35 2HB HIS 35 -2.505 -8.268 -3.700
237 HD1 HIS 35 HD1 HIS 35 -4.100 -7.810 -1.445
238 HD2 HIS 35 HD2 HIS 35 -2.047 -4.603 -3.106
239 HE1 HIS 35 HE1 HIS 35 -5.279 -5.752 -0.609
240 H SER 36 H SER 36 -1.074 -10.705 -1.148
241 HA SER 36 HA SER 36 0.372 -11.929 -3.390
242 HB2 SER 36 1HB SER 36 1.040 -12.131 -0.846
243 HB3 SER 36 2HB SER 36 -0.194 -13.391 -0.839
244 HG SER 36 HG SER 36 2.250 -13.293 -2.210
245 H GLY 37 H GLY 37 -0.283 -14.224 -3.902
246 HA2 GLY 37 1HA GLY 37 -2.905 -14.293 -4.855
247 HA3 GLY 37 2HA GLY 37 -1.856 -15.694 -4.697
248 H GLU 38 H GLU 38 -4.213 -16.490 -4.323
249 HA GLU 38 HA GLU 38 -5.715 -17.442 -2.904
250 HB2 GLU 38 1HB GLU 38 -3.296 -17.151 -1.156
251 HB3 GLU 38 2HB GLU 38 -4.805 -17.742 -0.475
252 HG2 GLU 38 1HG GLU 38 -4.786 -19.666 -1.785
253 HG3 GLU 38 2HG GLU 38 -3.621 -18.992 -2.922
254 H LYS 39 H LYS 39 -6.094 -14.745 -3.377
255 HA LYS 39 HA LYS 39 -6.972 -13.714 -0.761
256 HB2 LYS 39 1HB LYS 39 -5.373 -12.239 -1.842
257 HB3 LYS 39 2HB LYS 39 -6.332 -12.230 -3.316
258 HG2 LYS 39 1HG LYS 39 -7.007 -10.256 -2.428
259 HG3 LYS 39 2HG LYS 39 -8.191 -11.322 -1.668
260 HD2 LYS 39 1HD LYS 39 -5.606 -10.880 -0.268
261 HD3 LYS 39 2HD LYS 39 -6.785 -9.567 -0.266
262 HE2 LYS 39 1HE LYS 39 -8.479 -11.178 0.591
263 HE3 LYS 39 2HE LYS 39 -7.202 -12.387 0.717
264 HZ1 LYS 39 3HZ LYS 39 -6.157 -11.220 2.409
265 HZ2 LYS 39 1HZ LYS 39 -7.796 -11.035 2.785
266 HZ3 LYS 39 2HZ LYS 39 -6.948 -9.767 2.053
267 HA PRO 40 HA PRO 40 -10.845 -14.875 -2.981
268 HB2 PRO 40 1HB PRO 40 -12.126 -15.724 -0.743
269 HB3 PRO 40 2HB PRO 40 -11.049 -16.762 -1.685
270 HG2 PRO 40 1HG PRO 40 -10.493 -15.249 0.837
271 HG3 PRO 40 2HG PRO 40 -10.026 -16.902 0.398
272 HD2 PRO 40 1HD PRO 40 -8.311 -14.813 0.240
273 HD3 PRO 40 2HD PRO 40 -8.239 -16.194 -0.874
274 H SER 41 H SER 41 -13.206 -14.369 -2.005
275 HA SER 41 HA SER 41 -13.763 -11.769 -2.201
276 HB2 SER 41 1HB SER 41 -15.067 -13.623 -0.192
277 HB3 SER 41 2HB SER 41 -15.760 -12.114 -0.785
278 HG SER 41 HG SER 41 -16.258 -13.051 -2.619
279 H GLY 42 H GLY 42 -13.426 -13.214 1.049
280 HA2 GLY 42 1HA GLY 42 -11.554 -11.695 2.219
281 HA3 GLY 42 2HA GLY 42 -12.915 -10.585 2.172
282 HA PRO 43 HA PRO 43 -14.007 -14.314 5.106
283 HB2 PRO 43 1HB PRO 43 -11.841 -15.586 6.136
284 HB3 PRO 43 2HB PRO 43 -12.654 -16.115 4.658
285 HG2 PRO 43 1HG PRO 43 -10.161 -14.487 4.970
286 HG3 PRO 43 2HG PRO 43 -10.493 -15.821 3.850
287 HD2 PRO 43 1HD PRO 43 -10.606 -13.223 3.096
288 HD3 PRO 43 2HD PRO 43 -11.652 -14.470 2.386
289 H SER 44 H SER 44 -14.167 -14.185 7.366
290 HA SER 44 HA SER 44 -13.585 -11.762 8.557
291 HB2 SER 44 1HB SER 44 -15.224 -13.549 9.344
292 HB3 SER 44 2HB SER 44 -13.846 -14.340 10.109
293 HG SER 44 HG SER 44 -13.760 -12.805 11.579
294 H SER 45 H SER 45 -11.822 -14.832 8.889
295 HA SER 45 HA SER 45 -9.667 -13.436 10.289
296 HB2 SER 45 1HB SER 45 -8.813 -15.640 10.840
297 HB3 SER 45 2HB SER 45 -10.536 -15.584 11.209
298 HG SER 45 HG SER 45 -9.217 -17.210 9.523
299 H GLY 46 H GLY 46 -7.669 -13.119 9.450
300 HA2 GLY 46 1HA GLY 46 -6.838 -14.476 7.027
301 HA3 GLY 46 2HA GLY 46 -7.151 -12.757 6.836
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -30.968 26.741 0.131
2 HA2 GLY 1 1HA GLY 1 -31.837 24.615 -1.554
3 HA3 GLY 1 2HA GLY 1 -30.253 25.194 -2.046
4 H SER 2 H SER 2 -28.743 23.853 -1.333
5 HA SER 2 HA SER 2 -28.766 23.098 1.497
6 HB2 SER 2 1HB SER 2 -28.421 21.160 -0.802
7 HB3 SER 2 2HB SER 2 -28.087 20.772 0.885
8 HG SER 2 HG SER 2 -30.403 21.610 1.131
9 H SER 3 H SER 3 -26.719 22.672 2.382
10 HA SER 3 HA SER 3 -24.463 23.524 0.687
11 HB2 SER 3 1HB SER 3 -25.054 24.075 3.592
12 HB3 SER 3 2HB SER 3 -23.432 24.252 2.923
13 HG SER 3 HG SER 3 -24.415 26.225 2.755
14 H GLY 4 H GLY 4 -22.430 22.527 1.035
15 HA2 GLY 4 1HA GLY 4 -21.834 20.560 2.904
16 HA3 GLY 4 2HA GLY 4 -22.581 19.738 1.542
17 H SER 5 H SER 5 -19.703 20.376 2.828
18 HA SER 5 HA SER 5 -18.304 19.867 0.376
19 HB2 SER 5 1HB SER 5 -17.971 22.538 1.755
20 HB3 SER 5 2HB SER 5 -16.810 21.889 0.598
21 HG SER 5 HG SER 5 -19.301 22.989 0.177
22 H SER 6 H SER 6 -17.088 18.239 1.080
23 HA SER 6 HA SER 6 -15.676 18.552 3.647
24 HB2 SER 6 1HB SER 6 -16.542 16.031 2.212
25 HB3 SER 6 2HB SER 6 -15.560 16.058 3.677
26 HG SER 6 HG SER 6 -18.066 17.354 3.552
27 H GLY 7 H GLY 7 -14.108 19.810 2.324
28 HA2 GLY 7 1HA GLY 7 -12.248 19.985 0.932
29 HA3 GLY 7 2HA GLY 7 -11.699 18.708 2.007
30 H THR 8 H THR 8 -13.040 19.447 -1.130
31 HA THR 8 HA THR 8 -13.098 16.702 -2.000
32 HB THR 8 HB THR 8 -13.326 19.245 -3.623
33 HG1 THR 8 HG1 THR 8 -15.258 17.533 -2.423
34 HG21 THR 8 3HG2 THR 8 -14.307 17.814 -5.346
35 HG22 THR 8 1HG2 THR 8 -14.025 16.394 -4.340
36 HG23 THR 8 2HG2 THR 8 -12.658 17.310 -4.975
37 H GLY 9 H GLY 9 -10.920 16.060 -1.587
38 HA2 GLY 9 1HA GLY 9 -8.942 17.234 -3.438
39 HA3 GLY 9 2HA GLY 9 -8.537 16.438 -1.924
40 H GLU 10 H GLU 10 -9.782 15.906 -5.183
41 HA GLU 10 HA GLU 10 -10.052 13.186 -5.256
42 HB2 GLU 10 1HB GLU 10 -9.568 13.289 -7.630
43 HB3 GLU 10 2HB GLU 10 -10.518 14.691 -7.157
44 HG2 GLU 10 1HG GLU 10 -8.464 16.038 -7.097
45 HG3 GLU 10 2HG GLU 10 -7.548 14.633 -7.639
46 H LYS 11 H LYS 11 -8.720 11.421 -5.614
47 HA LYS 11 HA LYS 11 -5.917 11.839 -4.867
48 HB2 LYS 11 1HB LYS 11 -5.879 9.499 -4.262
49 HB3 LYS 11 2HB LYS 11 -7.280 10.261 -3.521
50 HG2 LYS 11 1HG LYS 11 -8.611 9.387 -5.500
51 HG3 LYS 11 2HG LYS 11 -7.199 8.393 -5.868
52 HD2 LYS 11 1HD LYS 11 -8.496 6.973 -4.571
53 HD3 LYS 11 2HD LYS 11 -7.376 7.656 -3.391
54 HE2 LYS 11 1HE LYS 11 -9.491 7.762 -2.370
55 HE3 LYS 11 2HE LYS 11 -9.165 9.402 -2.931
56 HZ1 LYS 11 3HZ LYS 11 -11.029 9.335 -4.094
57 HZ2 LYS 11 1HZ LYS 11 -11.341 7.760 -3.558
58 HZ3 LYS 11 2HZ LYS 11 -10.464 8.010 -4.982
59 HA PRO 12 HA PRO 12 -4.479 10.962 -8.934
60 HB2 PRO 12 1HB PRO 12 -1.977 10.096 -8.332
61 HB3 PRO 12 2HB PRO 12 -2.455 11.795 -8.236
62 HG2 PRO 12 1HG PRO 12 -2.225 9.766 -6.047
63 HG3 PRO 12 2HG PRO 12 -1.706 11.461 -6.060
64 HD2 PRO 12 1HD PRO 12 -4.001 10.650 -4.875
65 HD3 PRO 12 2HD PRO 12 -3.830 12.247 -5.633
66 H TYR 13 H TYR 13 -3.609 8.486 -6.514
67 HA TYR 13 HA TYR 13 -4.453 6.430 -8.441
68 HB2 TYR 13 1HB TYR 13 -1.985 6.367 -6.694
69 HB3 TYR 13 2HB TYR 13 -2.594 4.990 -7.606
70 HD1 TYR 13 HD1 TYR 13 -1.063 8.332 -7.881
71 HD2 TYR 13 HD2 TYR 13 -2.236 4.813 -9.965
72 HE1 TYR 13 HE1 TYR 13 0.224 9.072 -9.842
73 HE2 TYR 13 HE2 TYR 13 -0.951 5.542 -11.931
74 HH TYR 13 HH TYR 13 -0.152 7.824 -12.863
75 H LYS 14 H LYS 14 -4.557 4.216 -7.208
76 HA LYS 14 HA LYS 14 -5.168 4.207 -4.452
77 HB2 LYS 14 1HB LYS 14 -7.136 5.450 -5.010
78 HB3 LYS 14 2HB LYS 14 -7.501 4.381 -6.358
79 HG2 LYS 14 1HG LYS 14 -8.353 2.744 -5.014
80 HG3 LYS 14 2HG LYS 14 -7.364 3.213 -3.629
81 HD2 LYS 14 1HD LYS 14 -8.750 5.261 -3.402
82 HD3 LYS 14 2HD LYS 14 -9.783 4.663 -4.701
83 HE2 LYS 14 1HE LYS 14 -9.239 3.093 -2.193
84 HE3 LYS 14 2HE LYS 14 -10.578 4.232 -2.333
85 HZ1 LYS 14 3HZ LYS 14 -11.703 2.881 -3.740
86 HZ2 LYS 14 1HZ LYS 14 -10.837 1.685 -2.915
87 HZ3 LYS 14 2HZ LYS 14 -10.308 2.219 -4.430
88 H CYS 15 H CYS 15 -5.153 2.159 -3.705
89 HA CYS 15 HA CYS 15 -4.575 0.037 -5.521
90 HB2 CYS 15 1HB CYS 15 -3.605 0.227 -3.228
91 HB3 CYS 15 2HB CYS 15 -5.194 -0.143 -2.566
92 H ASN 16 H ASN 16 -6.068 -0.943 -6.708
93 HA ASN 16 HA ASN 16 -8.841 -0.984 -5.903
94 HB2 ASN 16 1HB ASN 16 -9.028 -2.352 -8.095
95 HB3 ASN 16 2HB ASN 16 -8.597 -0.648 -8.205
96 HD21 ASN 16 1HD2 ASN 16 -7.022 -3.802 -7.801
97 HD22 ASN 16 2HD2 ASN 16 -5.717 -3.479 -8.886
98 H GLU 17 H GLU 17 -7.242 -2.369 -4.087
99 HA GLU 17 HA GLU 17 -8.257 -5.104 -4.455
100 HB2 GLU 17 1HB GLU 17 -5.536 -4.322 -3.400
101 HB3 GLU 17 2HB GLU 17 -6.207 -5.943 -3.303
102 HG2 GLU 17 1HG GLU 17 -6.458 -5.698 -5.880
103 HG3 GLU 17 2HG GLU 17 -5.247 -4.432 -5.685
104 H CYS 18 H CYS 18 -7.145 -2.622 -2.200
105 HA CYS 18 HA CYS 18 -8.915 -3.798 -0.159
106 HB2 CYS 18 1HB CYS 18 -7.330 -2.939 1.558
107 HB3 CYS 18 2HB CYS 18 -6.631 -4.186 0.531
108 H GLY 19 H GLY 19 -7.285 -0.811 -1.205
109 HA2 GLY 19 1HA GLY 19 -8.993 1.017 -1.664
110 HA3 GLY 19 2HA GLY 19 -9.513 0.713 -0.014
111 H LYS 20 H LYS 20 -6.216 0.845 -1.300
112 HA LYS 20 HA LYS 20 -5.569 2.846 0.728
113 HB2 LYS 20 1HB LYS 20 -3.995 0.899 -0.899
114 HB3 LYS 20 2HB LYS 20 -3.184 2.344 -0.310
115 HG2 LYS 20 1HG LYS 20 -4.723 0.526 1.514
116 HG3 LYS 20 2HG LYS 20 -3.023 0.255 1.121
117 HD2 LYS 20 1HD LYS 20 -2.344 2.226 2.170
118 HD3 LYS 20 2HD LYS 20 -3.969 2.914 2.136
119 HE2 LYS 20 1HE LYS 20 -3.405 0.422 3.695
120 HE3 LYS 20 2HE LYS 20 -3.013 2.003 4.370
121 HZ1 LYS 20 3HZ LYS 20 -5.425 2.569 3.762
122 HZ2 LYS 20 1HZ LYS 20 -5.148 1.606 5.125
123 HZ3 LYS 20 2HZ LYS 20 -5.657 0.896 3.677
124 H ALA 21 H ALA 21 -4.314 4.729 0.191
125 HA ALA 21 HA ALA 21 -4.611 5.605 -2.606
126 HB1 ALA 21 3HB ALA 21 -5.789 6.749 -0.231
127 HB2 ALA 21 1HB ALA 21 -4.763 7.917 -1.066
128 HB3 ALA 21 2HB ALA 21 -6.084 7.127 -1.928
129 H PHE 22 H PHE 22 -2.833 6.442 -3.509
130 HA PHE 22 HA PHE 22 -0.594 7.167 -1.736
131 HB2 PHE 22 1HB PHE 22 -0.272 6.007 -4.502
132 HB3 PHE 22 2HB PHE 22 0.960 6.205 -3.260
133 HD1 PHE 22 HD2 PHE 22 -2.136 4.348 -4.091
134 HD2 PHE 22 HD1 PHE 22 1.401 4.499 -1.729
135 HE1 PHE 22 HE2 PHE 22 -2.563 2.054 -3.311
136 HE2 PHE 22 HE1 PHE 22 0.980 2.205 -0.946
137 HZ PHE 22 HZ PHE 22 -1.005 0.980 -1.736
138 H ARG 23 H ARG 23 1.125 8.428 -3.153
139 HA ARG 23 HA ARG 23 -0.318 10.455 -4.730
140 HB2 ARG 23 1HB ARG 23 0.523 11.022 -2.286
141 HB3 ARG 23 2HB ARG 23 2.064 11.232 -3.107
142 HG2 ARG 23 1HG ARG 23 1.071 12.897 -4.578
143 HG3 ARG 23 2HG ARG 23 -0.492 12.669 -3.791
144 HD2 ARG 23 1HD ARG 23 0.484 14.614 -2.841
145 HD3 ARG 23 2HD ARG 23 0.611 13.334 -1.635
146 HE ARG 23 HE ARG 23 2.903 13.392 -1.845
147 HH11 ARG 23 1HH1 ARG 23 1.433 15.266 -4.385
148 HH12 ARG 23 2HH1 ARG 23 2.927 15.973 -4.905
149 HH21 ARG 23 1HH2 ARG 23 4.876 14.316 -2.521
150 HH22 ARG 23 2HH2 ARG 23 4.884 15.432 -3.845
151 H ALA 24 H ALA 24 1.501 8.033 -5.275
152 HA ALA 24 HA ALA 24 2.943 9.277 -7.441
153 HB1 ALA 24 3HB ALA 24 4.761 9.597 -6.112
154 HB2 ALA 24 1HB ALA 24 4.336 8.278 -5.021
155 HB3 ALA 24 2HB ALA 24 5.064 7.926 -6.589
156 H ARG 25 H ARG 25 2.814 7.981 -9.151
157 HA ARG 25 HA ARG 25 1.461 5.674 -9.381
158 HB2 ARG 25 1HB ARG 25 2.411 6.901 -11.291
159 HB3 ARG 25 2HB ARG 25 4.012 6.302 -10.877
160 HG2 ARG 25 1HG ARG 25 3.279 4.018 -11.310
161 HG3 ARG 25 2HG ARG 25 1.665 4.609 -11.708
162 HD2 ARG 25 1HD ARG 25 2.593 5.900 -13.564
163 HD3 ARG 25 2HD ARG 25 4.210 5.326 -13.159
164 HE ARG 25 HE ARG 25 2.334 3.209 -13.656
165 HH11 ARG 25 1HH1 ARG 25 4.563 5.452 -15.113
166 HH12 ARG 25 2HH1 ARG 25 4.823 4.480 -16.523
167 HH21 ARG 25 1HH2 ARG 25 2.668 1.920 -15.508
168 HH22 ARG 25 2HH2 ARG 25 3.744 2.471 -16.747
169 H SER 26 H SER 26 4.998 5.761 -8.920
170 HA SER 26 HA SER 26 5.390 3.019 -8.657
171 HB2 SER 26 1HB SER 26 7.131 4.916 -8.855
172 HB3 SER 26 2HB SER 26 7.005 5.029 -7.099
173 HG SER 26 HG SER 26 8.538 3.417 -8.396
174 H SER 27 H SER 27 4.606 5.444 -6.206
175 HA SER 27 HA SER 27 4.904 3.994 -3.894
176 HB2 SER 27 1HB SER 27 4.196 6.411 -4.095
177 HB3 SER 27 2HB SER 27 2.561 5.833 -4.416
178 HG SER 27 HG SER 27 2.685 6.196 -2.243
179 H LEU 28 H LEU 28 2.005 4.120 -5.956
180 HA LEU 28 HA LEU 28 0.358 2.435 -4.520
181 HB2 LEU 28 1HB LEU 28 -0.516 3.608 -6.385
182 HB3 LEU 28 2HB LEU 28 0.639 2.855 -7.484
183 HG LEU 28 HG LEU 28 -0.547 0.659 -6.971
184 HD11 LEU 28 1HD1 LEU 28 -2.062 0.710 -5.346
185 HD12 LEU 28 2HD1 LEU 28 -3.095 1.621 -6.446
186 HD13 LEU 28 3HD1 LEU 28 -2.059 2.473 -5.302
187 HD21 LEU 28 3HD2 LEU 28 -2.456 1.259 -8.517
188 HD22 LEU 28 1HD2 LEU 28 -0.835 1.631 -9.104
189 HD23 LEU 28 2HD2 LEU 28 -1.857 2.918 -8.464
190 H ALA 29 H ALA 29 2.860 1.594 -6.876
191 HA ALA 29 HA ALA 29 2.364 -1.176 -6.949
192 HB1 ALA 29 3HB ALA 29 4.349 0.643 -7.969
193 HB2 ALA 29 1HB ALA 29 5.102 -0.840 -7.380
194 HB3 ALA 29 2HB ALA 29 3.829 -0.919 -8.599
195 H ILE 30 H ILE 30 4.757 0.689 -5.078
196 HA ILE 30 HA ILE 30 6.078 -1.237 -3.722
197 HB ILE 30 HB ILE 30 4.973 1.250 -2.413
198 HG12 ILE 30 1HG1 ILE 30 6.149 1.830 -4.458
199 HG13 ILE 30 2HG1 ILE 30 7.136 2.274 -3.070
200 HG21 ILE 30 1HG2 ILE 30 7.611 0.338 -1.607
201 HG22 ILE 30 2HG2 ILE 30 6.219 0.784 -0.623
202 HG23 ILE 30 3HG2 ILE 30 6.351 -0.849 -1.273
203 HD11 ILE 30 3HD1 ILE 30 8.435 1.261 -4.888
204 HD12 ILE 30 1HD1 ILE 30 8.526 0.333 -3.391
205 HD13 ILE 30 2HD1 ILE 30 7.495 -0.220 -4.711
206 H HIS 31 H HIS 31 2.785 -0.159 -3.088
207 HA HIS 31 HA HIS 31 2.476 -1.775 -0.735
208 HB2 HIS 31 1HB HIS 31 1.143 0.201 -0.860
209 HB3 HIS 31 2HB HIS 31 0.520 -0.240 -2.448
210 HD1 HIS 31 HD1 HIS 31 0.367 -1.517 1.130
211 HD2 HIS 31 HD2 HIS 31 -1.875 -1.508 -2.369
212 HE1 HIS 31 HE1 HIS 31 -1.828 -2.586 1.734
213 H GLN 32 H GLN 32 1.331 -1.978 -4.094
214 HA GLN 32 HA GLN 32 -0.210 -4.243 -3.969
215 HB2 GLN 32 1HB GLN 32 1.683 -3.380 -6.159
216 HB3 GLN 32 2HB GLN 32 0.480 -4.650 -6.342
217 HG2 GLN 32 1HG GLN 32 -1.244 -2.912 -5.689
218 HG3 GLN 32 2HG GLN 32 0.033 -1.716 -5.909
219 HE21 GLN 32 1HE2 GLN 32 -1.613 -0.963 -7.505
220 HE22 GLN 32 2HE2 GLN 32 -1.512 -1.597 -9.109
221 H ALA 33 H ALA 33 3.170 -3.981 -3.484
222 HA ALA 33 HA ALA 33 3.804 -6.721 -4.087
223 HB1 ALA 33 3HB ALA 33 5.989 -6.154 -2.995
224 HB2 ALA 33 1HB ALA 33 5.550 -5.128 -4.362
225 HB3 ALA 33 2HB ALA 33 5.351 -4.534 -2.713
226 H THR 34 H THR 34 1.831 -5.679 -1.861
227 HA THR 34 HA THR 34 2.892 -7.370 0.305
228 HB THR 34 HB THR 34 1.438 -6.171 1.841
229 HG1 THR 34 HG1 THR 34 0.425 -4.180 0.818
230 HG21 THR 34 3HG2 THR 34 3.696 -5.147 0.652
231 HG22 THR 34 1HG2 THR 34 2.918 -4.505 2.098
232 HG23 THR 34 2HG2 THR 34 2.547 -3.817 0.517
233 H HIS 35 H HIS 35 0.313 -6.929 -1.951
234 HA HIS 35 HA HIS 35 -1.526 -8.705 -0.628
235 HB2 HIS 35 1HB HIS 35 -1.499 -7.426 -3.361
236 HB3 HIS 35 2HB HIS 35 -2.766 -8.535 -2.843
237 HD1 HIS 35 HD1 HIS 35 -3.805 -7.687 -0.334
238 HD2 HIS 35 HD2 HIS 35 -2.230 -4.869 -2.949
239 HE1 HIS 35 HE1 HIS 35 -4.791 -5.486 0.376
240 H SER 36 H SER 36 0.884 -9.988 -0.846
241 HA SER 36 HA SER 36 0.232 -12.134 -2.743
242 HB2 SER 36 1HB SER 36 2.880 -10.747 -2.386
243 HB3 SER 36 2HB SER 36 2.792 -12.398 -2.999
244 HG SER 36 HG SER 36 2.749 -10.546 -4.562
245 H GLY 37 H GLY 37 -0.494 -12.169 -0.089
246 HA2 GLY 37 1HA GLY 37 1.526 -13.695 1.361
247 HA3 GLY 37 2HA GLY 37 -0.018 -13.145 1.996
248 H GLU 38 H GLU 38 -1.963 -14.274 1.225
249 HA GLU 38 HA GLU 38 -1.397 -17.134 0.935
250 HB2 GLU 38 1HB GLU 38 -3.659 -17.505 1.734
251 HB3 GLU 38 2HB GLU 38 -2.810 -16.425 2.830
252 HG2 GLU 38 1HG GLU 38 -3.981 -14.531 2.003
253 HG3 GLU 38 2HG GLU 38 -4.670 -15.463 0.675
254 H LYS 39 H LYS 39 -1.027 -15.655 -1.369
255 HA LYS 39 HA LYS 39 -3.308 -16.530 -3.016
256 HB2 LYS 39 1HB LYS 39 -3.118 -14.039 -2.819
257 HB3 LYS 39 2HB LYS 39 -1.537 -14.147 -3.582
258 HG2 LYS 39 1HG LYS 39 -2.404 -14.596 -5.640
259 HG3 LYS 39 2HG LYS 39 -3.845 -15.378 -4.986
260 HD2 LYS 39 1HD LYS 39 -3.395 -12.437 -4.624
261 HD3 LYS 39 2HD LYS 39 -4.085 -13.068 -6.121
262 HE2 LYS 39 1HE LYS 39 -5.744 -14.299 -4.593
263 HE3 LYS 39 2HE LYS 39 -5.192 -13.196 -3.334
264 HZ1 LYS 39 3HZ LYS 39 -6.893 -12.689 -5.612
265 HZ2 LYS 39 1HZ LYS 39 -5.702 -11.514 -5.361
266 HZ3 LYS 39 2HZ LYS 39 -6.800 -11.881 -4.128
267 HA PRO 40 HA PRO 40 0.535 -18.740 -4.368
268 HB2 PRO 40 1HB PRO 40 -0.680 -21.150 -4.655
269 HB3 PRO 40 2HB PRO 40 -0.016 -20.586 -3.117
270 HG2 PRO 40 1HG PRO 40 -2.850 -20.556 -4.081
271 HG3 PRO 40 2HG PRO 40 -2.217 -20.993 -2.484
272 HD2 PRO 40 1HD PRO 40 -3.326 -18.577 -3.001
273 HD3 PRO 40 2HD PRO 40 -2.014 -18.793 -1.824
274 H SER 41 H SER 41 0.366 -17.459 -6.301
275 HA SER 41 HA SER 41 -0.899 -18.936 -8.498
276 HB2 SER 41 1HB SER 41 -1.118 -15.951 -8.044
277 HB3 SER 41 2HB SER 41 -1.595 -16.771 -9.530
278 HG SER 41 HG SER 41 -2.722 -17.011 -6.949
279 H GLY 42 H GLY 42 0.628 -19.474 -9.900
280 HA2 GLY 42 1HA GLY 42 2.157 -18.317 -11.576
281 HA3 GLY 42 2HA GLY 42 2.985 -17.716 -10.147
282 HA PRO 43 HA PRO 43 3.734 -22.512 -10.520
283 HB2 PRO 43 1HB PRO 43 3.463 -23.485 -13.040
284 HB3 PRO 43 2HB PRO 43 2.141 -23.475 -11.867
285 HG2 PRO 43 1HG PRO 43 2.698 -21.572 -14.109
286 HG3 PRO 43 2HG PRO 43 1.154 -22.279 -13.600
287 HD2 PRO 43 1HD PRO 43 1.891 -19.760 -12.935
288 HD3 PRO 43 2HD PRO 43 0.887 -20.772 -11.877
289 H SER 44 H SER 44 5.513 -23.756 -11.658
290 HA SER 44 HA SER 44 7.759 -22.100 -11.996
291 HB2 SER 44 1HB SER 44 7.324 -25.015 -12.675
292 HB3 SER 44 2HB SER 44 8.892 -24.213 -12.769
293 HG SER 44 HG SER 44 7.551 -25.147 -10.596
294 H SER 45 H SER 45 9.121 -21.862 -13.873
295 HA SER 45 HA SER 45 7.785 -22.213 -16.456
296 HB2 SER 45 1HB SER 45 8.922 -19.604 -15.427
297 HB3 SER 45 2HB SER 45 8.486 -19.894 -17.112
298 HG SER 45 HG SER 45 6.593 -19.232 -16.472
299 H GLY 46 H GLY 46 9.261 -21.975 -18.298
300 HA2 GLY 46 1HA GLY 46 11.972 -21.621 -18.263
301 HA3 GLY 46 2HA GLY 46 11.755 -23.291 -17.759
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -16.152 30.106 -20.485
2 HA2 GLY 1 1HA GLY 1 -16.433 32.673 -19.774
3 HA3 GLY 1 2HA GLY 1 -17.712 31.504 -19.479
4 H SER 2 H SER 2 -17.830 33.479 -17.813
5 HA SER 2 HA SER 2 -16.264 32.831 -15.425
6 HB2 SER 2 1HB SER 2 -18.033 35.198 -16.076
7 HB3 SER 2 2HB SER 2 -17.215 34.968 -14.531
8 HG SER 2 HG SER 2 -16.156 36.280 -16.295
9 H SER 3 H SER 3 -17.410 30.862 -14.994
10 HA SER 3 HA SER 3 -19.513 31.168 -13.140
11 HB2 SER 3 1HB SER 3 -20.617 31.419 -15.517
12 HB3 SER 3 2HB SER 3 -20.480 29.661 -15.542
13 HG SER 3 HG SER 3 -22.281 29.748 -14.458
14 H GLY 4 H GLY 4 -19.626 29.415 -11.834
15 HA2 GLY 4 1HA GLY 4 -19.613 26.981 -11.594
16 HA3 GLY 4 2HA GLY 4 -18.322 26.941 -12.786
17 H SER 5 H SER 5 -18.837 26.388 -9.686
18 HA SER 5 HA SER 5 -16.576 27.824 -8.567
19 HB2 SER 5 1HB SER 5 -18.855 27.126 -7.408
20 HB3 SER 5 2HB SER 5 -17.969 25.637 -7.080
21 HG SER 5 HG SER 5 -17.395 28.266 -6.232
22 H SER 6 H SER 6 -14.646 27.096 -9.225
23 HA SER 6 HA SER 6 -13.886 24.690 -10.205
24 HB2 SER 6 1HB SER 6 -11.620 25.195 -9.536
25 HB3 SER 6 2HB SER 6 -12.419 26.707 -9.966
26 HG SER 6 HG SER 6 -11.359 25.929 -7.591
27 H GLY 7 H GLY 7 -12.633 22.901 -9.244
28 HA2 GLY 7 1HA GLY 7 -12.440 22.241 -6.587
29 HA3 GLY 7 2HA GLY 7 -14.069 21.765 -7.043
30 H THR 8 H THR 8 -11.006 20.658 -6.692
31 HA THR 8 HA THR 8 -11.536 18.386 -8.474
32 HB THR 8 HB THR 8 -9.083 18.278 -9.001
33 HG1 THR 8 HG1 THR 8 -9.130 20.920 -7.923
34 HG21 THR 8 3HG2 THR 8 -10.854 19.259 -10.520
35 HG22 THR 8 1HG2 THR 8 -9.203 19.802 -10.818
36 HG23 THR 8 2HG2 THR 8 -10.334 20.847 -9.957
37 H GLY 9 H GLY 9 -9.936 16.545 -7.960
38 HA2 GLY 9 1HA GLY 9 -9.749 16.347 -5.021
39 HA3 GLY 9 2HA GLY 9 -10.010 14.984 -6.100
40 H GLU 10 H GLU 10 -8.126 14.408 -4.492
41 HA GLU 10 HA GLU 10 -5.639 14.852 -5.992
42 HB2 GLU 10 1HB GLU 10 -4.389 14.954 -3.863
43 HB3 GLU 10 2HB GLU 10 -5.515 16.291 -4.046
44 HG2 GLU 10 1HG GLU 10 -6.161 13.813 -2.478
45 HG3 GLU 10 2HG GLU 10 -5.403 15.237 -1.766
46 H LYS 11 H LYS 11 -7.141 12.673 -6.470
47 HA LYS 11 HA LYS 11 -5.682 10.522 -5.082
48 HB2 LYS 11 1HB LYS 11 -8.568 10.654 -5.922
49 HB3 LYS 11 2HB LYS 11 -7.757 9.113 -5.680
50 HG2 LYS 11 1HG LYS 11 -7.556 9.419 -3.408
51 HG3 LYS 11 2HG LYS 11 -7.664 11.177 -3.529
52 HD2 LYS 11 1HD LYS 11 -9.739 10.660 -2.675
53 HD3 LYS 11 2HD LYS 11 -10.077 10.670 -4.408
54 HE2 LYS 11 1HE LYS 11 -9.212 8.114 -3.159
55 HE3 LYS 11 2HE LYS 11 -10.851 8.680 -2.838
56 HZ1 LYS 11 3HZ LYS 11 -9.736 7.572 -5.244
57 HZ2 LYS 11 1HZ LYS 11 -10.609 8.995 -5.513
58 HZ3 LYS 11 2HZ LYS 11 -11.350 7.680 -4.751
59 HA PRO 12 HA PRO 12 -4.648 10.338 -9.575
60 HB2 PRO 12 1HB PRO 12 -2.049 9.666 -9.168
61 HB3 PRO 12 2HB PRO 12 -2.619 11.339 -9.175
62 HG2 PRO 12 1HG PRO 12 -2.043 9.543 -6.850
63 HG3 PRO 12 2HG PRO 12 -1.633 11.254 -7.071
64 HD2 PRO 12 1HD PRO 12 -3.742 10.442 -5.579
65 HD3 PRO 12 2HD PRO 12 -3.748 11.965 -6.490
66 H TYR 13 H TYR 13 -3.518 8.153 -6.997
67 HA TYR 13 HA TYR 13 -4.395 5.882 -8.637
68 HB2 TYR 13 1HB TYR 13 -1.733 6.125 -7.225
69 HB3 TYR 13 2HB TYR 13 -2.367 4.620 -7.883
70 HD1 TYR 13 HD2 TYR 13 -2.902 4.575 -10.400
71 HD2 TYR 13 HD1 TYR 13 -0.489 7.566 -8.575
72 HE1 TYR 13 HE2 TYR 13 -1.926 5.117 -12.592
73 HE2 TYR 13 HE1 TYR 13 0.493 8.117 -10.762
74 HH TYR 13 HH TYR 13 0.609 7.581 -12.916
75 H LYS 14 H LYS 14 -4.373 3.814 -7.265
76 HA LYS 14 HA LYS 14 -4.559 3.976 -4.451
77 HB2 LYS 14 1HB LYS 14 -6.877 3.952 -4.050
78 HB3 LYS 14 2HB LYS 14 -6.644 5.241 -5.224
79 HG2 LYS 14 1HG LYS 14 -7.149 3.338 -6.952
80 HG3 LYS 14 2HG LYS 14 -7.922 2.575 -5.560
81 HD2 LYS 14 1HD LYS 14 -9.653 3.783 -6.545
82 HD3 LYS 14 2HD LYS 14 -9.102 4.846 -5.248
83 HE2 LYS 14 1HE LYS 14 -7.791 6.136 -6.833
84 HE3 LYS 14 2HE LYS 14 -8.248 5.040 -8.136
85 HZ1 LYS 14 3HZ LYS 14 -9.539 7.320 -7.518
86 HZ2 LYS 14 1HZ LYS 14 -10.483 6.172 -6.709
87 HZ3 LYS 14 2HZ LYS 14 -10.221 6.030 -8.374
88 H CYS 15 H CYS 15 -5.269 1.948 -3.477
89 HA CYS 15 HA CYS 15 -4.581 -0.299 -5.181
90 HB2 CYS 15 1HB CYS 15 -3.592 -0.067 -2.918
91 HB3 CYS 15 2HB CYS 15 -5.199 -0.239 -2.220
92 H ASN 16 H ASN 16 -6.105 -1.311 -6.295
93 HA ASN 16 HA ASN 16 -8.886 -1.136 -5.521
94 HB2 ASN 16 1HB ASN 16 -9.400 -1.953 -7.647
95 HB3 ASN 16 2HB ASN 16 -7.910 -1.055 -7.926
96 HD21 ASN 16 1HD2 ASN 16 -5.914 -2.285 -7.990
97 HD22 ASN 16 2HD2 ASN 16 -5.944 -3.906 -8.586
98 H GLU 17 H GLU 17 -7.210 -2.546 -3.690
99 HA GLU 17 HA GLU 17 -8.460 -5.206 -3.847
100 HB2 GLU 17 1HB GLU 17 -5.669 -4.616 -2.845
101 HB3 GLU 17 2HB GLU 17 -6.455 -6.188 -2.831
102 HG2 GLU 17 1HG GLU 17 -6.147 -4.725 -5.408
103 HG3 GLU 17 2HG GLU 17 -4.766 -5.571 -4.712
104 H CYS 18 H CYS 18 -7.094 -2.682 -1.789
105 HA CYS 18 HA CYS 18 -8.745 -3.698 0.431
106 HB2 CYS 18 1HB CYS 18 -7.112 -2.682 1.968
107 HB3 CYS 18 2HB CYS 18 -6.363 -3.895 0.935
108 H GLY 19 H GLY 19 -7.384 -0.762 -1.040
109 HA2 GLY 19 1HA GLY 19 -9.114 0.974 -1.546
110 HA3 GLY 19 2HA GLY 19 -9.659 0.736 0.108
111 H LYS 20 H LYS 20 -6.346 0.973 -1.126
112 HA LYS 20 HA LYS 20 -5.941 3.262 0.676
113 HB2 LYS 20 1HB LYS 20 -4.572 1.219 1.093
114 HB3 LYS 20 2HB LYS 20 -3.858 1.416 -0.503
115 HG2 LYS 20 1HG LYS 20 -2.312 2.318 1.021
116 HG3 LYS 20 2HG LYS 20 -3.097 3.700 0.253
117 HD2 LYS 20 1HD LYS 20 -3.072 4.267 2.516
118 HD3 LYS 20 2HD LYS 20 -4.702 3.639 2.263
119 HE2 LYS 20 1HE LYS 20 -3.899 1.427 3.085
120 HE3 LYS 20 2HE LYS 20 -2.355 2.184 3.474
121 HZ1 LYS 20 3HZ LYS 20 -3.592 3.728 4.934
122 HZ2 LYS 20 1HZ LYS 20 -3.696 2.114 5.432
123 HZ3 LYS 20 2HZ LYS 20 -5.003 2.841 4.643
124 H ALA 21 H ALA 21 -6.028 5.147 -0.349
125 HA ALA 21 HA ALA 21 -5.293 5.336 -3.159
126 HB1 ALA 21 3HB ALA 21 -7.360 6.409 -2.310
127 HB2 ALA 21 1HB ALA 21 -6.359 7.489 -1.339
128 HB3 ALA 21 2HB ALA 21 -6.259 7.538 -3.099
129 H PHE 22 H PHE 22 -3.390 6.047 -3.861
130 HA PHE 22 HA PHE 22 -1.571 7.298 -1.919
131 HB2 PHE 22 1HB PHE 22 -0.868 5.947 -4.532
132 HB3 PHE 22 2HB PHE 22 0.258 6.505 -3.299
133 HD1 PHE 22 HD2 PHE 22 -2.400 4.041 -4.013
134 HD2 PHE 22 HD1 PHE 22 0.817 5.155 -1.458
135 HE1 PHE 22 HE2 PHE 22 -2.502 1.835 -2.928
136 HE2 PHE 22 HE1 PHE 22 0.721 2.950 -0.370
137 HZ PHE 22 HZ PHE 22 -0.940 1.287 -1.104
138 H ARG 23 H ARG 23 0.165 8.689 -3.158
139 HA ARG 23 HA ARG 23 -1.350 10.627 -4.770
140 HB2 ARG 23 1HB ARG 23 -0.413 11.416 -2.596
141 HB3 ARG 23 2HB ARG 23 1.199 11.078 -3.212
142 HG2 ARG 23 1HG ARG 23 0.840 12.709 -5.010
143 HG3 ARG 23 2HG ARG 23 -0.755 13.068 -4.345
144 HD2 ARG 23 1HD ARG 23 0.797 14.745 -3.598
145 HD3 ARG 23 2HD ARG 23 0.335 13.740 -2.224
146 HE ARG 23 HE ARG 23 2.499 12.951 -2.097
147 HH11 ARG 23 1HH1 ARG 23 2.067 14.803 -5.013
148 HH12 ARG 23 2HH1 ARG 23 3.760 14.871 -5.376
149 HH21 ARG 23 1HH2 ARG 23 4.730 13.034 -2.564
150 HH22 ARG 23 2HH2 ARG 23 5.274 13.864 -3.982
151 H ALA 24 H ALA 24 1.361 8.495 -4.766
152 HA ALA 24 HA ALA 24 2.062 9.421 -7.473
153 HB1 ALA 24 3HB ALA 24 3.717 9.575 -5.251
154 HB2 ALA 24 1HB ALA 24 4.279 8.147 -6.121
155 HB3 ALA 24 2HB ALA 24 4.203 9.706 -6.942
156 H ARG 25 H ARG 25 2.663 7.828 -8.963
157 HA ARG 25 HA ARG 25 1.308 5.405 -8.833
158 HB2 ARG 25 1HB ARG 25 2.237 6.597 -10.887
159 HB3 ARG 25 2HB ARG 25 3.782 5.853 -10.496
160 HG2 ARG 25 1HG ARG 25 2.863 3.656 -10.781
161 HG3 ARG 25 2HG ARG 25 1.241 4.319 -10.991
162 HD2 ARG 25 1HD ARG 25 2.000 3.842 -13.164
163 HD3 ARG 25 2HD ARG 25 2.182 5.586 -12.981
164 HE ARG 25 HE ARG 25 4.295 3.628 -13.250
165 HH11 ARG 25 1HH1 ARG 25 3.426 6.874 -12.343
166 HH12 ARG 25 2HH1 ARG 25 5.028 7.500 -12.549
167 HH21 ARG 25 1HH2 ARG 25 6.408 4.439 -13.525
168 HH22 ARG 25 2HH2 ARG 25 6.724 6.114 -13.222
169 H SER 26 H SER 26 4.798 5.998 -8.421
170 HA SER 26 HA SER 26 5.643 3.426 -7.929
171 HB2 SER 26 1HB SER 26 7.559 4.373 -6.833
172 HB3 SER 26 2HB SER 26 7.092 5.481 -8.123
173 HG SER 26 HG SER 26 6.420 5.747 -5.376
174 H SER 27 H SER 27 4.230 5.734 -5.650
175 HA SER 27 HA SER 27 4.584 4.295 -3.294
176 HB2 SER 27 1HB SER 27 2.478 6.268 -4.162
177 HB3 SER 27 2HB SER 27 2.458 5.544 -2.554
178 HG SER 27 HG SER 27 3.830 7.047 -2.057
179 H LEU 28 H LEU 28 2.066 4.060 -5.751
180 HA LEU 28 HA LEU 28 0.384 2.280 -4.337
181 HB2 LEU 28 1HB LEU 28 -0.475 3.526 -6.193
182 HB3 LEU 28 2HB LEU 28 0.716 2.816 -7.281
183 HG LEU 28 HG LEU 28 -0.424 0.584 -6.808
184 HD11 LEU 28 1HD1 LEU 28 -1.724 1.877 -4.859
185 HD12 LEU 28 2HD1 LEU 28 -2.379 0.462 -5.681
186 HD13 LEU 28 3HD1 LEU 28 -2.890 2.078 -6.167
187 HD21 LEU 28 3HD2 LEU 28 -2.187 2.587 -8.188
188 HD22 LEU 28 1HD2 LEU 28 -1.928 0.888 -8.584
189 HD23 LEU 28 2HD2 LEU 28 -0.646 2.065 -8.870
190 H ALA 29 H ALA 29 2.962 1.761 -6.715
191 HA ALA 29 HA ALA 29 2.734 -0.991 -7.020
192 HB1 ALA 29 3HB ALA 29 4.216 -0.143 -8.521
193 HB2 ALA 29 1HB ALA 29 4.927 0.976 -7.357
194 HB3 ALA 29 2HB ALA 29 5.361 -0.733 -7.317
195 H ILE 30 H ILE 30 5.058 0.686 -4.888
196 HA ILE 30 HA ILE 30 6.159 -1.382 -3.550
197 HB ILE 30 HB ILE 30 5.192 1.169 -2.254
198 HG12 ILE 30 1HG1 ILE 30 8.009 0.665 -3.126
199 HG13 ILE 30 2HG1 ILE 30 6.817 1.143 -4.330
200 HG21 ILE 30 1HG2 ILE 30 7.591 0.147 -1.112
201 HG22 ILE 30 2HG2 ILE 30 6.029 0.419 -0.343
202 HG23 ILE 30 3HG2 ILE 30 6.375 -1.130 -1.111
203 HD11 ILE 30 3HD1 ILE 30 7.905 2.683 -2.026
204 HD12 ILE 30 1HD1 ILE 30 7.711 3.162 -3.712
205 HD13 ILE 30 2HD1 ILE 30 6.302 3.062 -2.655
206 H HIS 31 H HIS 31 2.936 -0.063 -2.997
207 HA HIS 31 HA HIS 31 2.360 -1.636 -0.701
208 HB2 HIS 31 1HB HIS 31 1.133 0.430 -1.220
209 HB3 HIS 31 2HB HIS 31 0.467 -0.325 -2.665
210 HD1 HIS 31 HD1 HIS 31 0.570 -1.266 1.031
211 HD2 HIS 31 HD2 HIS 31 -2.053 -1.140 -2.188
212 HE1 HIS 31 HE1 HIS 31 -1.632 -2.090 1.925
213 H GLN 32 H GLN 32 1.349 -1.939 -4.106
214 HA GLN 32 HA GLN 32 -0.095 -4.288 -3.903
215 HB2 GLN 32 1HB GLN 32 1.655 -3.416 -6.209
216 HB3 GLN 32 2HB GLN 32 0.367 -4.610 -6.294
217 HG2 GLN 32 1HG GLN 32 -1.135 -2.691 -5.426
218 HG3 GLN 32 2HG GLN 32 0.178 -1.649 -5.973
219 HE21 GLN 32 1HE2 GLN 32 -1.829 -0.975 -7.271
220 HE22 GLN 32 2HE2 GLN 32 -1.992 -1.712 -8.825
221 H ALA 33 H ALA 33 3.325 -3.800 -3.763
222 HA ALA 33 HA ALA 33 4.361 -6.231 -4.534
223 HB1 ALA 33 3HB ALA 33 5.329 -3.981 -3.248
224 HB2 ALA 33 1HB ALA 33 5.621 -5.288 -2.099
225 HB3 ALA 33 2HB ALA 33 6.265 -5.393 -3.737
226 H THR 34 H THR 34 2.302 -5.558 -1.881
227 HA THR 34 HA THR 34 2.929 -8.137 -0.619
228 HB THR 34 HB THR 34 2.900 -6.061 0.809
229 HG1 THR 34 HG1 THR 34 2.502 -7.520 2.277
230 HG21 THR 34 3HG2 THR 34 -0.023 -6.113 1.019
231 HG22 THR 34 1HG2 THR 34 0.579 -5.474 -0.509
232 HG23 THR 34 2HG2 THR 34 1.088 -4.744 1.014
233 H HIS 35 H HIS 35 0.568 -6.483 -2.488
234 HA HIS 35 HA HIS 35 -1.602 -8.269 -1.798
235 HB2 HIS 35 1HB HIS 35 -1.272 -5.888 -3.564
236 HB3 HIS 35 2HB HIS 35 -2.588 -7.003 -3.918
237 HD1 HIS 35 HD1 HIS 35 -4.389 -7.320 -1.985
238 HD2 HIS 35 HD2 HIS 35 -1.716 -4.183 -1.460
239 HE1 HIS 35 HE1 HIS 35 -5.408 -5.859 -0.210
240 H SER 36 H SER 36 0.700 -9.596 -2.761
241 HA SER 36 HA SER 36 -0.403 -10.794 -5.208
242 HB2 SER 36 1HB SER 36 1.543 -9.318 -5.755
243 HB3 SER 36 2HB SER 36 2.550 -10.334 -4.724
244 HG SER 36 HG SER 36 2.543 -10.848 -7.036
245 H GLY 37 H GLY 37 -1.229 -12.576 -4.177
246 HA2 GLY 37 1HA GLY 37 0.783 -14.431 -3.091
247 HA3 GLY 37 2HA GLY 37 -0.688 -14.119 -2.183
248 H GLU 38 H GLU 38 -2.633 -14.135 -4.057
249 HA GLU 38 HA GLU 38 -2.746 -16.944 -4.742
250 HB2 GLU 38 1HB GLU 38 -4.788 -14.740 -5.079
251 HB3 GLU 38 2HB GLU 38 -5.083 -16.445 -5.388
252 HG2 GLU 38 1HG GLU 38 -4.311 -16.751 -2.927
253 HG3 GLU 38 2HG GLU 38 -4.687 -15.034 -2.791
254 H LYS 39 H LYS 39 -2.385 -17.791 -6.685
255 HA LYS 39 HA LYS 39 -1.811 -17.968 -8.881
256 HB2 LYS 39 1HB LYS 39 -3.837 -15.735 -9.045
257 HB3 LYS 39 2HB LYS 39 -3.143 -16.517 -10.459
258 HG2 LYS 39 1HG LYS 39 -4.499 -18.130 -8.337
259 HG3 LYS 39 2HG LYS 39 -5.433 -17.308 -9.588
260 HD2 LYS 39 1HD LYS 39 -3.111 -19.022 -10.363
261 HD3 LYS 39 2HD LYS 39 -4.649 -19.777 -9.938
262 HE2 LYS 39 1HE LYS 39 -5.724 -18.935 -11.770
263 HE3 LYS 39 2HE LYS 39 -4.695 -17.507 -11.854
264 HZ1 LYS 39 3HZ LYS 39 -4.505 -19.728 -13.430
265 HZ2 LYS 39 1HZ LYS 39 -3.234 -19.914 -12.329
266 HZ3 LYS 39 2HZ LYS 39 -3.336 -18.515 -13.273
267 HA PRO 40 HA PRO 40 0.986 -14.187 -8.432
268 HB2 PRO 40 1HB PRO 40 3.239 -15.537 -7.746
269 HB3 PRO 40 2HB PRO 40 2.076 -14.941 -6.556
270 HG2 PRO 40 1HG PRO 40 2.388 -17.696 -7.684
271 HG3 PRO 40 2HG PRO 40 2.096 -17.201 -6.007
272 HD2 PRO 40 1HD PRO 40 0.122 -18.110 -7.621
273 HD3 PRO 40 2HD PRO 40 -0.162 -16.897 -6.357
274 H SER 41 H SER 41 1.117 -13.772 -10.591
275 HA SER 41 HA SER 41 1.783 -15.497 -12.638
276 HB2 SER 41 1HB SER 41 2.456 -12.548 -12.507
277 HB3 SER 41 2HB SER 41 2.301 -13.519 -13.971
278 HG SER 41 HG SER 41 0.070 -13.935 -12.865
279 H GLY 42 H GLY 42 3.981 -13.300 -10.889
280 HA2 GLY 42 1HA GLY 42 6.115 -15.114 -10.774
281 HA3 GLY 42 2HA GLY 42 6.332 -14.118 -12.205
282 HA PRO 43 HA PRO 43 6.500 -11.114 -8.410
283 HB2 PRO 43 1HB PRO 43 6.650 -12.278 -5.962
284 HB3 PRO 43 2HB PRO 43 5.117 -11.841 -6.725
285 HG2 PRO 43 1HG PRO 43 6.471 -14.507 -6.586
286 HG3 PRO 43 2HG PRO 43 4.757 -14.109 -6.363
287 HD2 PRO 43 1HD PRO 43 5.728 -15.130 -8.676
288 HD3 PRO 43 2HD PRO 43 4.358 -14.001 -8.631
289 H SER 44 H SER 44 8.345 -13.712 -9.251
290 HA SER 44 HA SER 44 10.673 -12.790 -7.700
291 HB2 SER 44 1HB SER 44 11.666 -14.985 -8.116
292 HB3 SER 44 2HB SER 44 10.079 -15.169 -7.371
293 HG SER 44 HG SER 44 10.636 -15.379 -10.148
294 H SER 45 H SER 45 12.396 -11.961 -8.724
295 HA SER 45 HA SER 45 12.186 -11.522 -11.588
296 HB2 SER 45 1HB SER 45 12.920 -9.814 -9.718
297 HB3 SER 45 2HB SER 45 14.504 -10.552 -9.958
298 HG SER 45 HG SER 45 13.053 -9.751 -12.211
299 H GLY 46 H GLY 46 12.577 -13.667 -12.321
300 HA2 GLY 46 1HA GLY 46 13.865 -15.547 -12.789
301 HA3 GLY 46 2HA GLY 46 14.952 -14.295 -13.372
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -22.601 8.512 0.738
2 HA2 GLY 1 1HA GLY 1 -23.799 10.686 -0.819
3 HA3 GLY 1 2HA GLY 1 -24.232 10.560 0.879
4 H SER 2 H SER 2 -22.882 12.744 -0.454
5 HA SER 2 HA SER 2 -20.539 12.876 1.284
6 HB2 SER 2 1HB SER 2 -19.619 12.141 -0.851
7 HB3 SER 2 2HB SER 2 -20.447 13.454 -1.688
8 HG SER 2 HG SER 2 -18.613 13.942 0.405
9 H SER 3 H SER 3 -19.937 14.976 1.877
10 HA SER 3 HA SER 3 -22.014 16.989 1.370
11 HB2 SER 3 1HB SER 3 -21.555 16.309 3.740
12 HB3 SER 3 2HB SER 3 -19.931 16.974 3.566
13 HG SER 3 HG SER 3 -20.750 18.985 3.434
14 H GLY 4 H GLY 4 -21.293 19.271 1.262
15 HA2 GLY 4 1HA GLY 4 -19.620 19.787 -0.845
16 HA3 GLY 4 2HA GLY 4 -19.974 20.958 0.417
17 H SER 5 H SER 5 -17.507 19.734 -1.202
18 HA SER 5 HA SER 5 -15.648 20.202 0.998
19 HB2 SER 5 1HB SER 5 -15.613 17.709 -0.718
20 HB3 SER 5 2HB SER 5 -14.302 18.198 0.356
21 HG SER 5 HG SER 5 -16.234 18.265 1.948
22 H SER 6 H SER 6 -13.504 20.729 0.305
23 HA SER 6 HA SER 6 -13.493 22.118 -2.232
24 HB2 SER 6 1HB SER 6 -11.213 22.877 -1.462
25 HB3 SER 6 2HB SER 6 -12.536 23.300 -0.376
26 HG SER 6 HG SER 6 -11.427 22.299 1.090
27 H GLY 7 H GLY 7 -11.553 19.567 -0.679
28 HA2 GLY 7 1HA GLY 7 -10.954 18.507 -3.349
29 HA3 GLY 7 2HA GLY 7 -9.608 18.891 -2.286
30 H THR 8 H THR 8 -12.618 17.003 -2.386
31 HA THR 8 HA THR 8 -11.287 14.983 -0.700
32 HB THR 8 HB THR 8 -14.248 15.565 -0.903
33 HG1 THR 8 HG1 THR 8 -12.568 16.905 0.423
34 HG21 THR 8 3HG2 THR 8 -13.738 13.176 -0.544
35 HG22 THR 8 1HG2 THR 8 -14.517 13.911 0.857
36 HG23 THR 8 2HG2 THR 8 -12.779 13.611 0.871
37 H GLY 9 H GLY 9 -10.528 13.506 -2.114
38 HA2 GLY 9 1HA GLY 9 -11.049 11.458 -3.252
39 HA3 GLY 9 2HA GLY 9 -12.512 12.216 -3.863
40 H GLU 10 H GLU 10 -9.218 13.511 -3.873
41 HA GLU 10 HA GLU 10 -9.314 13.472 -6.819
42 HB2 GLU 10 1HB GLU 10 -8.055 15.550 -6.833
43 HB3 GLU 10 2HB GLU 10 -9.530 15.747 -5.897
44 HG2 GLU 10 1HG GLU 10 -8.090 15.265 -3.849
45 HG3 GLU 10 2HG GLU 10 -6.709 15.527 -4.913
46 H LYS 11 H LYS 11 -8.234 11.414 -5.111
47 HA LYS 11 HA LYS 11 -5.393 11.647 -4.998
48 HB2 LYS 11 1HB LYS 11 -7.216 9.243 -4.821
49 HB3 LYS 11 2HB LYS 11 -5.479 9.182 -4.553
50 HG2 LYS 11 1HG LYS 11 -7.234 11.022 -2.969
51 HG3 LYS 11 2HG LYS 11 -7.018 9.331 -2.514
52 HD2 LYS 11 1HD LYS 11 -4.674 9.626 -2.220
53 HD3 LYS 11 2HD LYS 11 -4.720 11.228 -2.961
54 HE2 LYS 11 1HE LYS 11 -6.122 10.488 -0.396
55 HE3 LYS 11 2HE LYS 11 -4.542 11.265 -0.479
56 HZ1 LYS 11 3HZ LYS 11 -6.669 12.554 -1.977
57 HZ2 LYS 11 1HZ LYS 11 -5.443 13.235 -1.032
58 HZ3 LYS 11 2HZ LYS 11 -6.828 12.605 -0.294
59 HA PRO 12 HA PRO 12 -4.336 10.658 -9.155
60 HB2 PRO 12 1HB PRO 12 -1.832 9.693 -8.747
61 HB3 PRO 12 2HB PRO 12 -2.228 11.412 -8.640
62 HG2 PRO 12 1HG PRO 12 -1.903 9.403 -6.445
63 HG3 PRO 12 2HG PRO 12 -1.315 11.074 -6.528
64 HD2 PRO 12 1HD PRO 12 -3.536 10.378 -5.145
65 HD3 PRO 12 2HD PRO 12 -3.362 11.956 -5.940
66 H TYR 13 H TYR 13 -3.373 8.178 -6.775
67 HA TYR 13 HA TYR 13 -4.439 6.135 -8.605
68 HB2 TYR 13 1HB TYR 13 -1.821 6.127 -7.116
69 HB3 TYR 13 2HB TYR 13 -2.575 4.638 -7.673
70 HD1 TYR 13 HD1 TYR 13 -1.032 7.807 -8.753
71 HD2 TYR 13 HD2 TYR 13 -2.537 4.023 -9.984
72 HE1 TYR 13 HE1 TYR 13 -0.008 8.126 -10.967
73 HE2 TYR 13 HE2 TYR 13 -1.516 4.331 -12.200
74 HH TYR 13 HH TYR 13 -0.434 5.733 -13.550
75 H LYS 14 H LYS 14 -5.202 4.203 -7.591
76 HA LYS 14 HA LYS 14 -5.493 4.217 -4.696
77 HB2 LYS 14 1HB LYS 14 -7.444 5.475 -5.906
78 HB3 LYS 14 2HB LYS 14 -7.987 3.853 -6.317
79 HG2 LYS 14 1HG LYS 14 -8.215 3.266 -4.018
80 HG3 LYS 14 2HG LYS 14 -7.436 4.765 -3.504
81 HD2 LYS 14 1HD LYS 14 -9.973 4.752 -5.117
82 HD3 LYS 14 2HD LYS 14 -9.982 4.660 -3.354
83 HE2 LYS 14 1HE LYS 14 -8.417 6.749 -3.539
84 HE3 LYS 14 2HE LYS 14 -9.140 6.902 -5.140
85 HZ1 LYS 14 3HZ LYS 14 -10.191 7.842 -2.808
86 HZ2 LYS 14 1HZ LYS 14 -11.092 6.441 -3.102
87 HZ3 LYS 14 2HZ LYS 14 -11.023 7.662 -4.270
88 H CYS 15 H CYS 15 -5.632 2.203 -3.833
89 HA CYS 15 HA CYS 15 -5.079 -0.018 -5.561
90 HB2 CYS 15 1HB CYS 15 -4.110 0.318 -3.248
91 HB3 CYS 15 2HB CYS 15 -5.692 -0.114 -2.605
92 H ASN 16 H ASN 16 -6.355 -1.783 -6.019
93 HA ASN 16 HA ASN 16 -9.227 -1.389 -5.576
94 HB2 ASN 16 1HB ASN 16 -9.570 -2.899 -7.451
95 HB3 ASN 16 2HB ASN 16 -8.441 -1.630 -7.915
96 HD21 ASN 16 1HD2 ASN 16 -6.682 -2.260 -8.923
97 HD22 ASN 16 2HD2 ASN 16 -5.984 -3.840 -8.863
98 H GLU 17 H GLU 17 -6.858 -2.857 -3.999
99 HA GLU 17 HA GLU 17 -8.276 -5.377 -3.521
100 HB2 GLU 17 1HB GLU 17 -5.541 -4.492 -2.584
101 HB3 GLU 17 2HB GLU 17 -6.244 -6.086 -2.345
102 HG2 GLU 17 1HG GLU 17 -4.901 -6.467 -4.152
103 HG3 GLU 17 2HG GLU 17 -6.427 -6.081 -4.946
104 H CYS 18 H CYS 18 -6.769 -2.726 -1.677
105 HA CYS 18 HA CYS 18 -8.575 -3.367 0.559
106 HB2 CYS 18 1HB CYS 18 -6.930 -2.101 1.964
107 HB3 CYS 18 2HB CYS 18 -6.279 -3.568 1.238
108 H GLY 19 H GLY 19 -7.131 -0.675 -1.253
109 HA2 GLY 19 1HA GLY 19 -8.726 1.057 -2.008
110 HA3 GLY 19 2HA GLY 19 -9.426 0.981 -0.398
111 H LYS 20 H LYS 20 -5.980 0.835 -0.873
112 HA LYS 20 HA LYS 20 -5.679 3.283 0.659
113 HB2 LYS 20 1HB LYS 20 -4.325 1.303 1.222
114 HB3 LYS 20 2HB LYS 20 -3.595 1.351 -0.378
115 HG2 LYS 20 1HG LYS 20 -2.048 2.316 1.132
116 HG3 LYS 20 2HG LYS 20 -2.735 3.635 0.181
117 HD2 LYS 20 1HD LYS 20 -2.722 4.421 2.397
118 HD3 LYS 20 2HD LYS 20 -4.392 3.933 2.095
119 HE2 LYS 20 1HE LYS 20 -3.923 1.774 3.197
120 HE3 LYS 20 2HE LYS 20 -2.290 2.333 3.553
121 HZ1 LYS 20 3HZ LYS 20 -4.797 3.590 4.531
122 HZ2 LYS 20 1HZ LYS 20 -3.229 4.125 4.873
123 HZ3 LYS 20 2HZ LYS 20 -3.755 2.624 5.448
124 H ALA 21 H ALA 21 -5.486 5.196 -0.282
125 HA ALA 21 HA ALA 21 -4.697 5.340 -3.096
126 HB1 ALA 21 3HB ALA 21 -5.625 7.564 -3.092
127 HB2 ALA 21 1HB ALA 21 -6.786 6.449 -2.372
128 HB3 ALA 21 2HB ALA 21 -5.830 7.514 -1.341
129 H PHE 22 H PHE 22 -2.743 6.000 -3.698
130 HA PHE 22 HA PHE 22 -0.999 7.220 -1.673
131 HB2 PHE 22 1HB PHE 22 -0.246 5.852 -4.265
132 HB3 PHE 22 2HB PHE 22 0.874 6.448 -3.044
133 HD1 PHE 22 HD2 PHE 22 -1.840 3.994 -3.626
134 HD2 PHE 22 HD1 PHE 22 1.506 5.106 -1.242
135 HE1 PHE 22 HE2 PHE 22 -1.934 1.817 -2.486
136 HE2 PHE 22 HE1 PHE 22 1.418 2.929 -0.098
137 HZ PHE 22 HZ PHE 22 -0.304 1.282 -0.719
138 H ARG 23 H ARG 23 0.885 8.473 -3.026
139 HA ARG 23 HA ARG 23 -0.502 10.389 -4.782
140 HB2 ARG 23 1HB ARG 23 0.121 11.069 -2.298
141 HB3 ARG 23 2HB ARG 23 1.709 11.323 -3.009
142 HG2 ARG 23 1HG ARG 23 0.725 12.871 -4.635
143 HG3 ARG 23 2HG ARG 23 -0.856 12.632 -3.888
144 HD2 ARG 23 1HD ARG 23 1.566 13.661 -2.420
145 HD3 ARG 23 2HD ARG 23 0.347 14.700 -3.157
146 HE ARG 23 HE ARG 23 -1.116 14.160 -1.456
147 HH11 ARG 23 1HH1 ARG 23 1.714 12.140 -1.293
148 HH12 ARG 23 2HH1 ARG 23 1.336 11.514 0.278
149 HH21 ARG 23 1HH2 ARG 23 -1.624 13.344 0.612
150 HH22 ARG 23 2HH2 ARG 23 -0.563 12.199 1.360
151 H ALA 24 H ALA 24 1.259 8.050 -5.321
152 HA ALA 24 HA ALA 24 2.884 9.276 -7.323
153 HB1 ALA 24 3HB ALA 24 4.471 7.751 -5.291
154 HB2 ALA 24 1HB ALA 24 5.034 8.855 -6.546
155 HB3 ALA 24 2HB ALA 24 4.206 9.486 -5.122
156 H ARG 25 H ARG 25 3.167 7.902 -8.981
157 HA ARG 25 HA ARG 25 1.823 5.555 -9.270
158 HB2 ARG 25 1HB ARG 25 4.326 6.574 -10.574
159 HB3 ARG 25 2HB ARG 25 3.690 4.990 -10.995
160 HG2 ARG 25 1HG ARG 25 1.871 5.847 -12.063
161 HG3 ARG 25 2HG ARG 25 1.822 7.294 -11.054
162 HD2 ARG 25 1HD ARG 25 3.547 8.328 -12.258
163 HD3 ARG 25 2HD ARG 25 4.052 6.812 -13.002
164 HE ARG 25 HE ARG 25 1.912 8.549 -13.864
165 HH11 ARG 25 1HH1 ARG 25 3.314 5.367 -14.027
166 HH12 ARG 25 2HH1 ARG 25 2.558 4.969 -15.534
167 HH21 ARG 25 1HH2 ARG 25 0.911 8.037 -15.849
168 HH22 ARG 25 2HH2 ARG 25 1.192 6.488 -16.570
169 H SER 26 H SER 26 5.156 5.931 -8.123
170 HA SER 26 HA SER 26 5.611 3.131 -7.820
171 HB2 SER 26 1HB SER 26 7.645 3.837 -6.582
172 HB3 SER 26 2HB SER 26 7.486 4.656 -8.135
173 HG SER 26 HG SER 26 6.935 5.687 -5.555
174 H SER 27 H SER 27 4.572 5.727 -5.677
175 HA SER 27 HA SER 27 4.769 4.462 -3.221
176 HB2 SER 27 1HB SER 27 2.779 6.485 -4.252
177 HB3 SER 27 2HB SER 27 2.789 5.939 -2.575
178 HG SER 27 HG SER 27 5.033 6.625 -2.535
179 H LEU 28 H LEU 28 2.314 4.143 -5.714
180 HA LEU 28 HA LEU 28 0.574 2.526 -4.090
181 HB2 LEU 28 1HB LEU 28 -0.520 3.785 -5.732
182 HB3 LEU 28 2HB LEU 28 0.628 3.311 -6.983
183 HG LEU 28 HG LEU 28 -0.366 0.935 -6.630
184 HD11 LEU 28 1HD1 LEU 28 -2.316 0.686 -5.528
185 HD12 LEU 28 2HD1 LEU 28 -2.895 2.294 -5.962
186 HD13 LEU 28 3HD1 LEU 28 -1.745 2.098 -4.640
187 HD21 LEU 28 3HD2 LEU 28 -2.412 2.595 -7.914
188 HD22 LEU 28 1HD2 LEU 28 -1.437 1.280 -8.570
189 HD23 LEU 28 2HD2 LEU 28 -0.764 2.907 -8.461
190 H ALA 29 H ALA 29 2.819 1.945 -6.777
191 HA ALA 29 HA ALA 29 2.401 -0.779 -7.115
192 HB1 ALA 29 3HB ALA 29 3.921 -0.437 -8.691
193 HB2 ALA 29 1HB ALA 29 4.270 1.153 -8.013
194 HB3 ALA 29 2HB ALA 29 5.172 -0.259 -7.460
195 H ILE 30 H ILE 30 5.036 0.718 -5.225
196 HA ILE 30 HA ILE 30 6.216 -1.413 -4.091
197 HB ILE 30 HB ILE 30 5.427 1.082 -2.582
198 HG12 ILE 30 1HG1 ILE 30 8.145 0.617 -3.725
199 HG13 ILE 30 2HG1 ILE 30 6.855 1.098 -4.821
200 HG21 ILE 30 1HG2 ILE 30 6.417 -1.182 -1.480
201 HG22 ILE 30 2HG2 ILE 30 7.907 -0.335 -1.893
202 HG23 ILE 30 3HG2 ILE 30 6.713 0.439 -0.852
203 HD11 ILE 30 3HD1 ILE 30 8.212 2.630 -2.692
204 HD12 ILE 30 1HD1 ILE 30 7.632 3.147 -4.275
205 HD13 ILE 30 2HD1 ILE 30 6.494 2.942 -2.942
206 H HIS 31 H HIS 31 3.077 -0.103 -3.169
207 HA HIS 31 HA HIS 31 2.737 -1.849 -0.926
208 HB2 HIS 31 1HB HIS 31 1.461 0.073 -0.710
209 HB3 HIS 31 2HB HIS 31 0.994 0.080 -2.408
210 HD1 HIS 31 HD1 HIS 31 0.343 -2.091 0.655
211 HD2 HIS 31 HD2 HIS 31 -1.554 -0.728 -2.781
212 HE1 HIS 31 HE1 HIS 31 -2.012 -2.959 0.799
213 H GLN 32 H GLN 32 1.496 -1.789 -4.252
214 HA GLN 32 HA GLN 32 -0.216 -3.935 -4.192
215 HB2 GLN 32 1HB GLN 32 1.677 -3.123 -6.403
216 HB3 GLN 32 2HB GLN 32 0.343 -4.251 -6.602
217 HG2 GLN 32 1HG GLN 32 -1.052 -2.248 -5.618
218 HG3 GLN 32 2HG GLN 32 0.302 -1.306 -6.238
219 HE21 GLN 32 1HE2 GLN 32 -1.902 -0.646 -7.377
220 HE22 GLN 32 2HE2 GLN 32 -2.104 -1.348 -8.943
221 H ALA 33 H ALA 33 3.178 -3.949 -3.780
222 HA ALA 33 HA ALA 33 3.610 -6.679 -4.569
223 HB1 ALA 33 3HB ALA 33 5.461 -5.135 -2.793
224 HB2 ALA 33 1HB ALA 33 5.839 -6.358 -4.006
225 HB3 ALA 33 2HB ALA 33 5.321 -4.749 -4.508
226 H THR 34 H THR 34 1.774 -5.608 -2.212
227 HA THR 34 HA THR 34 2.720 -7.540 -0.201
228 HB THR 34 HB THR 34 2.432 -5.122 0.502
229 HG1 THR 34 HG1 THR 34 2.369 -6.940 1.975
230 HG21 THR 34 3HG2 THR 34 0.520 -4.068 0.068
231 HG22 THR 34 1HG2 THR 34 -0.353 -5.240 1.054
232 HG23 THR 34 2HG2 THR 34 -0.127 -5.533 -0.670
233 H HIS 35 H HIS 35 0.212 -6.814 -2.429
234 HA HIS 35 HA HIS 35 -1.728 -8.565 -1.165
235 HB2 HIS 35 1HB HIS 35 -1.749 -6.886 -3.666
236 HB3 HIS 35 2HB HIS 35 -3.033 -8.040 -3.318
237 HD1 HIS 35 HD1 HIS 35 -4.291 -7.600 -0.937
238 HD2 HIS 35 HD2 HIS 35 -2.111 -4.445 -2.535
239 HE1 HIS 35 HE1 HIS 35 -5.130 -5.540 0.237
240 H SER 36 H SER 36 0.179 -8.485 -4.163
241 HA SER 36 HA SER 36 -0.646 -10.785 -5.385
242 HB2 SER 36 1HB SER 36 1.989 -9.383 -5.253
243 HB3 SER 36 2HB SER 36 1.924 -10.973 -6.012
244 HG SER 36 HG SER 36 1.380 -8.758 -7.176
245 H GLY 37 H GLY 37 -0.033 -12.968 -5.347
246 HA2 GLY 37 1HA GLY 37 1.808 -14.331 -3.958
247 HA3 GLY 37 2HA GLY 37 0.656 -13.929 -2.694
248 H GLU 38 H GLU 38 0.458 -15.094 -6.062
249 HA GLU 38 HA GLU 38 -0.711 -16.802 -7.006
250 HB2 GLU 38 1HB GLU 38 -0.012 -17.847 -4.309
251 HB3 GLU 38 2HB GLU 38 -1.207 -18.739 -5.240
252 HG2 GLU 38 1HG GLU 38 0.468 -18.757 -7.130
253 HG3 GLU 38 2HG GLU 38 1.648 -18.162 -5.964
254 H LYS 39 H LYS 39 -2.218 -14.628 -6.183
255 HA LYS 39 HA LYS 39 -4.692 -15.870 -5.176
256 HB2 LYS 39 1HB LYS 39 -3.689 -13.030 -5.022
257 HB3 LYS 39 2HB LYS 39 -5.365 -13.457 -4.699
258 HG2 LYS 39 1HG LYS 39 -4.564 -15.000 -2.921
259 HG3 LYS 39 2HG LYS 39 -2.932 -14.383 -3.189
260 HD2 LYS 39 1HD LYS 39 -3.767 -13.144 -1.373
261 HD3 LYS 39 2HD LYS 39 -3.910 -12.070 -2.766
262 HE2 LYS 39 1HE LYS 39 -5.935 -11.911 -1.515
263 HE3 LYS 39 2HE LYS 39 -6.286 -12.809 -2.992
264 HZ1 LYS 39 3HZ LYS 39 -5.863 -14.860 -1.540
265 HZ2 LYS 39 1HZ LYS 39 -7.327 -14.034 -1.346
266 HZ3 LYS 39 2HZ LYS 39 -6.077 -13.815 -0.227
267 HA PRO 40 HA PRO 40 -5.486 -14.995 -9.634
268 HB2 PRO 40 1HB PRO 40 -6.992 -17.220 -10.022
269 HB3 PRO 40 2HB PRO 40 -5.229 -17.221 -10.140
270 HG2 PRO 40 1HG PRO 40 -6.975 -18.076 -7.864
271 HG3 PRO 40 2HG PRO 40 -5.528 -18.862 -8.520
272 HD2 PRO 40 1HD PRO 40 -5.473 -17.347 -6.277
273 HD3 PRO 40 2HD PRO 40 -4.097 -17.449 -7.394
274 H SER 41 H SER 41 -7.179 -14.891 -6.810
275 HA SER 41 HA SER 41 -9.857 -14.786 -7.852
276 HB2 SER 41 1HB SER 41 -10.506 -14.151 -5.597
277 HB3 SER 41 2HB SER 41 -9.353 -15.483 -5.516
278 HG SER 41 HG SER 41 -8.321 -12.899 -5.440
279 H GLY 42 H GLY 42 -8.552 -13.130 -9.454
280 HA2 GLY 42 1HA GLY 42 -9.739 -10.926 -9.960
281 HA3 GLY 42 2HA GLY 42 -9.051 -10.411 -8.427
282 HA PRO 43 HA PRO 43 -5.306 -11.026 -11.429
283 HB2 PRO 43 1HB PRO 43 -5.904 -11.481 -14.038
284 HB3 PRO 43 2HB PRO 43 -5.682 -12.782 -12.862
285 HG2 PRO 43 1HG PRO 43 -8.219 -11.571 -13.891
286 HG3 PRO 43 2HG PRO 43 -7.826 -13.278 -13.616
287 HD2 PRO 43 1HD PRO 43 -9.302 -11.824 -11.872
288 HD3 PRO 43 2HD PRO 43 -8.225 -13.135 -11.350
289 H SER 44 H SER 44 -7.989 -9.114 -11.645
290 HA SER 44 HA SER 44 -7.909 -7.404 -13.686
291 HB2 SER 44 1HB SER 44 -7.938 -6.572 -10.775
292 HB3 SER 44 2HB SER 44 -8.441 -5.552 -12.123
293 HG SER 44 HG SER 44 -9.588 -8.089 -11.615
294 H SER 45 H SER 45 -5.936 -6.589 -10.835
295 HA SER 45 HA SER 45 -4.046 -5.232 -12.615
296 HB2 SER 45 1HB SER 45 -4.674 -5.000 -9.685
297 HB3 SER 45 2HB SER 45 -3.148 -4.388 -10.323
298 HG SER 45 HG SER 45 -4.436 -3.147 -11.822
299 H GLY 46 H GLY 46 -2.634 -6.724 -13.370
300 HA2 GLY 46 1HA GLY 46 -0.799 -8.108 -13.331
301 HA3 GLY 46 2HA GLY 46 -0.613 -7.697 -11.633
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -10.868 15.995 21.027
2 HA2 GLY 1 1HA GLY 1 -12.574 15.535 19.537
3 HA3 GLY 1 2HA GLY 1 -12.913 17.257 19.456
4 H SER 2 H SER 2 -13.046 15.674 17.203
5 HA SER 2 HA SER 2 -10.890 16.840 15.605
6 HB2 SER 2 1HB SER 2 -10.644 14.713 14.333
7 HB3 SER 2 2HB SER 2 -10.136 14.568 16.015
8 HG SER 2 HG SER 2 -12.783 13.949 15.337
9 H SER 3 H SER 3 -11.603 17.735 13.772
10 HA SER 3 HA SER 3 -14.243 16.931 12.751
11 HB2 SER 3 1HB SER 3 -14.297 19.096 14.077
12 HB3 SER 3 2HB SER 3 -13.286 19.796 12.813
13 HG SER 3 HG SER 3 -15.045 20.083 11.724
14 H GLY 4 H GLY 4 -11.838 15.953 11.765
15 HA2 GLY 4 1HA GLY 4 -11.097 15.497 9.603
16 HA3 GLY 4 2HA GLY 4 -12.005 16.887 9.026
17 H SER 5 H SER 5 -8.957 15.715 10.105
18 HA SER 5 HA SER 5 -7.759 18.349 10.282
19 HB2 SER 5 1HB SER 5 -6.438 15.626 10.384
20 HB3 SER 5 2HB SER 5 -5.700 17.164 10.833
21 HG SER 5 HG SER 5 -7.223 15.530 12.318
22 H SER 6 H SER 6 -6.057 19.081 8.931
23 HA SER 6 HA SER 6 -6.499 18.845 6.204
24 HB2 SER 6 1HB SER 6 -4.353 19.994 5.905
25 HB3 SER 6 2HB SER 6 -5.262 20.714 7.234
26 HG SER 6 HG SER 6 -3.041 18.965 7.375
27 H GLY 7 H GLY 7 -4.946 18.051 4.542
28 HA2 GLY 7 1HA GLY 7 -2.937 16.414 4.467
29 HA3 GLY 7 2HA GLY 7 -4.070 15.342 5.278
30 H THR 8 H THR 8 -6.407 15.841 3.944
31 HA THR 8 HA THR 8 -6.085 14.292 1.605
32 HB THR 8 HB THR 8 -8.481 14.782 1.178
33 HG1 THR 8 HG1 THR 8 -8.559 16.913 1.990
34 HG21 THR 8 3HG2 THR 8 -7.935 14.132 4.075
35 HG22 THR 8 1HG2 THR 8 -7.760 12.987 2.745
36 HG23 THR 8 2HG2 THR 8 -9.345 13.658 3.128
37 H GLY 9 H GLY 9 -6.621 14.879 -0.590
38 HA2 GLY 9 1HA GLY 9 -6.827 17.616 -1.382
39 HA3 GLY 9 2HA GLY 9 -5.197 17.002 -1.615
40 H GLU 10 H GLU 10 -5.078 14.882 -2.839
41 HA GLU 10 HA GLU 10 -7.227 14.584 -4.801
42 HB2 GLU 10 1HB GLU 10 -5.769 14.738 -6.686
43 HB3 GLU 10 2HB GLU 10 -5.514 16.177 -5.709
44 HG2 GLU 10 1HG GLU 10 -3.752 13.790 -5.366
45 HG3 GLU 10 2HG GLU 10 -3.480 14.922 -6.689
46 H LYS 11 H LYS 11 -7.336 12.552 -5.778
47 HA LYS 11 HA LYS 11 -5.498 10.518 -4.703
48 HB2 LYS 11 1HB LYS 11 -8.491 10.539 -4.772
49 HB3 LYS 11 2HB LYS 11 -7.635 9.007 -4.884
50 HG2 LYS 11 1HG LYS 11 -8.019 9.174 -2.626
51 HG3 LYS 11 2HG LYS 11 -6.391 9.844 -2.764
52 HD2 LYS 11 1HD LYS 11 -7.377 11.447 -1.459
53 HD3 LYS 11 2HD LYS 11 -7.714 12.105 -3.062
54 HE2 LYS 11 1HE LYS 11 -9.798 12.246 -2.135
55 HE3 LYS 11 2HE LYS 11 -9.887 10.628 -2.829
56 HZ1 LYS 11 3HZ LYS 11 -9.944 9.676 -0.813
57 HZ2 LYS 11 1HZ LYS 11 -10.465 11.197 -0.287
58 HZ3 LYS 11 2HZ LYS 11 -8.838 10.761 -0.132
59 HA PRO 12 HA PRO 12 -5.497 10.281 -9.309
60 HB2 PRO 12 1HB PRO 12 -2.841 9.751 -9.495
61 HB3 PRO 12 2HB PRO 12 -3.488 11.392 -9.389
62 HG2 PRO 12 1HG PRO 12 -2.306 9.680 -7.237
63 HG3 PRO 12 2HG PRO 12 -2.050 11.404 -7.561
64 HD2 PRO 12 1HD PRO 12 -3.721 10.519 -5.623
65 HD3 PRO 12 2HD PRO 12 -4.015 12.020 -6.525
66 H TYR 13 H TYR 13 -3.662 8.216 -7.056
67 HA TYR 13 HA TYR 13 -4.464 5.884 -8.668
68 HB2 TYR 13 1HB TYR 13 -2.089 6.225 -6.826
69 HB3 TYR 13 2HB TYR 13 -2.511 4.731 -7.655
70 HD1 TYR 13 HD1 TYR 13 -1.215 8.141 -8.076
71 HD2 TYR 13 HD2 TYR 13 -2.100 4.460 -10.017
72 HE1 TYR 13 HE1 TYR 13 0.095 8.863 -10.028
73 HE2 TYR 13 HE2 TYR 13 -0.791 5.171 -11.974
74 HH TYR 13 HH TYR 13 0.739 6.690 -12.714
75 H LYS 14 H LYS 14 -5.453 4.166 -7.705
76 HA LYS 14 HA LYS 14 -5.774 4.130 -4.807
77 HB2 LYS 14 1HB LYS 14 -7.680 5.436 -5.482
78 HB3 LYS 14 2HB LYS 14 -8.079 4.287 -6.753
79 HG2 LYS 14 1HG LYS 14 -9.593 3.672 -5.169
80 HG3 LYS 14 2HG LYS 14 -8.250 2.615 -4.729
81 HD2 LYS 14 1HD LYS 14 -7.698 3.874 -2.868
82 HD3 LYS 14 2HD LYS 14 -8.467 5.332 -3.500
83 HE2 LYS 14 1HE LYS 14 -10.642 3.862 -3.312
84 HE3 LYS 14 2HE LYS 14 -9.678 2.977 -2.130
85 HZ1 LYS 14 3HZ LYS 14 -10.396 5.855 -2.062
86 HZ2 LYS 14 1HZ LYS 14 -9.280 5.142 -1.009
87 HZ3 LYS 14 2HZ LYS 14 -10.898 4.648 -0.989
88 H CYS 15 H CYS 15 -5.810 2.113 -3.997
89 HA CYS 15 HA CYS 15 -5.457 -0.094 -5.824
90 HB2 CYS 15 1HB CYS 15 -4.196 0.284 -3.618
91 HB3 CYS 15 2HB CYS 15 -5.655 -0.303 -2.826
92 H ASN 16 H ASN 16 -7.155 -1.063 -6.706
93 HA ASN 16 HA ASN 16 -9.752 -0.993 -5.445
94 HB2 ASN 16 1HB ASN 16 -10.613 -1.650 -7.479
95 HB3 ASN 16 2HB ASN 16 -9.113 -0.893 -8.008
96 HD21 ASN 16 1HD2 ASN 16 -7.206 -2.456 -8.046
97 HD22 ASN 16 2HD2 ASN 16 -7.515 -4.003 -8.751
98 H GLU 17 H GLU 17 -7.292 -2.648 -4.507
99 HA GLU 17 HA GLU 17 -8.590 -5.280 -4.410
100 HB2 GLU 17 1HB GLU 17 -5.770 -4.568 -3.593
101 HB3 GLU 17 2HB GLU 17 -6.441 -6.182 -3.781
102 HG2 GLU 17 1HG GLU 17 -6.833 -5.550 -6.219
103 HG3 GLU 17 2HG GLU 17 -5.767 -4.181 -5.907
104 H CYS 18 H CYS 18 -7.336 -2.683 -2.404
105 HA CYS 18 HA CYS 18 -8.679 -3.913 -0.091
106 HB2 CYS 18 1HB CYS 18 -6.891 -2.958 1.354
107 HB3 CYS 18 2HB CYS 18 -6.300 -4.193 0.247
108 H GLY 19 H GLY 19 -7.382 -0.890 -1.446
109 HA2 GLY 19 1HA GLY 19 -9.159 0.880 -1.671
110 HA3 GLY 19 2HA GLY 19 -9.501 0.555 0.022
111 H LYS 20 H LYS 20 -6.241 0.551 -1.209
112 HA LYS 20 HA LYS 20 -5.665 2.888 0.462
113 HB2 LYS 20 1HB LYS 20 -4.362 0.837 0.878
114 HB3 LYS 20 2HB LYS 20 -3.781 0.875 -0.781
115 HG2 LYS 20 1HG LYS 20 -2.031 1.775 0.457
116 HG3 LYS 20 2HG LYS 20 -2.852 3.188 -0.210
117 HD2 LYS 20 1HD LYS 20 -4.039 3.499 1.906
118 HD3 LYS 20 2HD LYS 20 -3.231 2.078 2.572
119 HE2 LYS 20 1HE LYS 20 -1.849 4.577 1.599
120 HE3 LYS 20 2HE LYS 20 -2.183 4.192 3.287
121 HZ1 LYS 20 3HZ LYS 20 -0.040 3.455 3.055
122 HZ2 LYS 20 1HZ LYS 20 -0.249 2.960 1.450
123 HZ3 LYS 20 2HZ LYS 20 -0.888 2.032 2.711
124 H ALA 21 H ALA 21 -5.347 4.805 -0.440
125 HA ALA 21 HA ALA 21 -4.692 4.918 -3.309
126 HB1 ALA 21 3HB ALA 21 -6.850 5.991 -2.166
127 HB2 ALA 21 1HB ALA 21 -5.723 7.327 -1.931
128 HB3 ALA 21 2HB ALA 21 -6.046 6.720 -3.556
129 H PHE 22 H PHE 22 -2.971 6.090 -4.019
130 HA PHE 22 HA PHE 22 -1.283 7.339 -1.951
131 HB2 PHE 22 1HB PHE 22 -0.276 6.107 -4.516
132 HB3 PHE 22 2HB PHE 22 0.670 6.617 -3.122
133 HD1 PHE 22 HD2 PHE 22 -2.134 4.293 -3.936
134 HD2 PHE 22 HD1 PHE 22 1.415 4.989 -1.692
135 HE1 PHE 22 HE2 PHE 22 -2.273 2.016 -3.015
136 HE2 PHE 22 HE1 PHE 22 1.282 2.713 -0.768
137 HZ PHE 22 HZ PHE 22 -0.565 1.223 -1.428
138 H ARG 23 H ARG 23 0.513 8.703 -3.327
139 HA ARG 23 HA ARG 23 -1.098 10.697 -4.747
140 HB2 ARG 23 1HB ARG 23 0.167 11.492 -2.808
141 HB3 ARG 23 2HB ARG 23 1.661 10.910 -3.530
142 HG2 ARG 23 1HG ARG 23 0.021 12.836 -5.083
143 HG3 ARG 23 2HG ARG 23 0.926 13.436 -3.691
144 HD2 ARG 23 1HD ARG 23 2.965 12.361 -4.659
145 HD3 ARG 23 2HD ARG 23 2.019 11.994 -6.101
146 HE ARG 23 HE ARG 23 2.051 14.779 -5.319
147 HH11 ARG 23 1HH1 ARG 23 3.510 12.276 -7.249
148 HH12 ARG 23 2HH1 ARG 23 4.222 13.380 -8.378
149 HH21 ARG 23 1HH2 ARG 23 2.983 16.243 -6.799
150 HH22 ARG 23 2HH2 ARG 23 3.922 15.637 -8.121
151 H ALA 24 H ALA 24 1.696 8.611 -5.103
152 HA ALA 24 HA ALA 24 1.804 9.347 -7.954
153 HB1 ALA 24 3HB ALA 24 4.271 8.362 -6.629
154 HB2 ALA 24 1HB ALA 24 4.078 9.488 -7.973
155 HB3 ALA 24 2HB ALA 24 3.773 10.026 -6.321
156 H ARG 25 H ARG 25 2.647 7.638 -9.364
157 HA ARG 25 HA ARG 25 1.334 5.196 -8.964
158 HB2 ARG 25 1HB ARG 25 1.952 6.109 -11.182
159 HB3 ARG 25 2HB ARG 25 3.642 5.775 -10.829
160 HG2 ARG 25 1HG ARG 25 2.980 3.354 -10.563
161 HG3 ARG 25 2HG ARG 25 1.414 3.804 -11.239
162 HD2 ARG 25 1HD ARG 25 4.021 4.390 -12.621
163 HD3 ARG 25 2HD ARG 25 3.123 2.893 -12.870
164 HE ARG 25 HE ARG 25 1.266 4.776 -13.365
165 HH11 ARG 25 1HH1 ARG 25 4.524 4.325 -14.508
166 HH12 ARG 25 2HH1 ARG 25 4.228 5.071 -16.043
167 HH21 ARG 25 1HH2 ARG 25 0.864 5.761 -15.383
168 HH22 ARG 25 2HH2 ARG 25 2.146 5.888 -16.540
169 H SER 26 H SER 26 4.856 5.780 -9.054
170 HA SER 26 HA SER 26 5.812 3.352 -8.336
171 HB2 SER 26 1HB SER 26 7.760 4.439 -7.447
172 HB3 SER 26 2HB SER 26 7.165 5.434 -8.776
173 HG SER 26 HG SER 26 6.736 6.988 -7.417
174 H SER 27 H SER 27 4.545 5.802 -6.108
175 HA SER 27 HA SER 27 5.083 4.523 -3.701
176 HB2 SER 27 1HB SER 27 2.898 6.418 -4.542
177 HB3 SER 27 2HB SER 27 2.983 5.790 -2.896
178 HG SER 27 HG SER 27 5.320 6.847 -3.978
179 H LEU 28 H LEU 28 2.169 4.299 -5.730
180 HA LEU 28 HA LEU 28 0.698 2.554 -4.151
181 HB2 LEU 28 1HB LEU 28 -0.354 3.597 -5.995
182 HB3 LEU 28 2HB LEU 28 0.817 2.929 -7.130
183 HG LEU 28 HG LEU 28 -0.160 0.641 -6.467
184 HD11 LEU 28 1HD1 LEU 28 -2.680 1.011 -5.929
185 HD12 LEU 28 2HD1 LEU 28 -2.116 2.535 -5.244
186 HD13 LEU 28 3HD1 LEU 28 -1.492 1.006 -4.625
187 HD21 LEU 28 3HD2 LEU 28 -0.501 2.056 -8.605
188 HD22 LEU 28 1HD2 LEU 28 -2.102 2.379 -7.938
189 HD23 LEU 28 2HD2 LEU 28 -1.606 0.721 -8.277
190 H ALA 29 H ALA 29 3.148 1.847 -6.605
191 HA ALA 29 HA ALA 29 2.893 -0.924 -6.695
192 HB1 ALA 29 3HB ALA 29 4.701 1.017 -7.684
193 HB2 ALA 29 1HB ALA 29 5.648 -0.260 -6.922
194 HB3 ALA 29 2HB ALA 29 4.499 -0.657 -8.200
195 H ILE 30 H ILE 30 5.024 1.050 -4.634
196 HA ILE 30 HA ILE 30 6.403 -0.842 -3.263
197 HB ILE 30 HB ILE 30 5.105 1.563 -1.977
198 HG12 ILE 30 1HG1 ILE 30 6.378 2.207 -3.957
199 HG13 ILE 30 2HG1 ILE 30 7.227 2.714 -2.501
200 HG21 ILE 30 1HG2 ILE 30 6.474 -0.479 -0.765
201 HG22 ILE 30 2HG2 ILE 30 7.738 0.717 -1.048
202 HG23 ILE 30 3HG2 ILE 30 6.298 1.156 -0.130
203 HD11 ILE 30 3HD1 ILE 30 9.031 1.659 -3.203
204 HD12 ILE 30 1HD1 ILE 30 8.153 0.130 -3.172
205 HD13 ILE 30 2HD1 ILE 30 8.166 1.110 -4.638
206 H HIS 31 H HIS 31 3.013 -0.034 -2.878
207 HA HIS 31 HA HIS 31 2.697 -1.738 -0.560
208 HB2 HIS 31 1HB HIS 31 1.231 0.046 -0.421
209 HB3 HIS 31 2HB HIS 31 0.905 0.049 -2.152
210 HD1 HIS 31 HD1 HIS 31 0.209 -2.251 0.805
211 HD2 HIS 31 HD2 HIS 31 -1.529 -0.956 -2.739
212 HE1 HIS 31 HE1 HIS 31 -2.066 -3.320 0.742
213 H GLN 32 H GLN 32 1.854 -1.801 -3.993
214 HA GLN 32 HA GLN 32 0.259 -4.027 -4.127
215 HB2 GLN 32 1HB GLN 32 2.423 -3.161 -6.049
216 HB3 GLN 32 2HB GLN 32 1.207 -4.378 -6.414
217 HG2 GLN 32 1HG GLN 32 0.469 -1.593 -5.586
218 HG3 GLN 32 2HG GLN 32 0.800 -2.020 -7.264
219 HE21 GLN 32 1HE2 GLN 32 -1.625 -1.022 -6.617
220 HE22 GLN 32 2HE2 GLN 32 -2.830 -2.255 -6.714
221 H ALA 33 H ALA 33 3.544 -3.871 -3.200
222 HA ALA 33 HA ALA 33 4.220 -6.588 -3.841
223 HB1 ALA 33 3HB ALA 33 5.635 -4.762 -1.909
224 HB2 ALA 33 1HB ALA 33 6.292 -6.171 -2.741
225 HB3 ALA 33 2HB ALA 33 5.878 -4.720 -3.655
226 H THR 34 H THR 34 1.982 -5.569 -1.831
227 HA THR 34 HA THR 34 2.686 -7.395 0.367
228 HB THR 34 HB THR 34 2.025 -4.921 0.795
229 HG1 THR 34 HG1 THR 34 1.963 -6.987 2.250
230 HG21 THR 34 3HG2 THR 34 -0.699 -6.164 0.395
231 HG22 THR 34 1HG2 THR 34 0.022 -4.907 -0.609
232 HG23 THR 34 2HG2 THR 34 -0.386 -4.566 1.072
233 H HIS 35 H HIS 35 0.293 -6.682 -2.088
234 HA HIS 35 HA HIS 35 -1.713 -8.465 -1.216
235 HB2 HIS 35 1HB HIS 35 -1.061 -7.154 -3.831
236 HB3 HIS 35 2HB HIS 35 -2.303 -8.401 -3.767
237 HD1 HIS 35 HD1 HIS 35 -4.367 -7.873 -2.137
238 HD2 HIS 35 HD2 HIS 35 -1.875 -4.671 -3.028
239 HE1 HIS 35 HE1 HIS 35 -5.670 -5.814 -1.515
240 H SER 36 H SER 36 -0.909 -10.463 -0.680
241 HA SER 36 HA SER 36 0.971 -12.017 -1.844
242 HB2 SER 36 1HB SER 36 -0.159 -13.959 -0.961
243 HB3 SER 36 2HB SER 36 -0.402 -12.624 0.164
244 HG SER 36 HG SER 36 -2.278 -14.048 -0.651
245 H GLY 37 H GLY 37 0.934 -13.778 -3.372
246 HA2 GLY 37 1HA GLY 37 -0.715 -14.827 -5.067
247 HA3 GLY 37 2HA GLY 37 -0.829 -13.173 -5.648
248 H GLU 38 H GLU 38 1.273 -12.142 -6.272
249 HA GLU 38 HA GLU 38 3.007 -14.146 -7.561
250 HB2 GLU 38 1HB GLU 38 1.586 -12.635 -9.043
251 HB3 GLU 38 2HB GLU 38 2.606 -11.310 -8.502
252 HG2 GLU 38 1HG GLU 38 4.569 -12.731 -9.317
253 HG3 GLU 38 2HG GLU 38 3.352 -13.690 -10.159
254 H LYS 39 H LYS 39 4.344 -14.225 -5.679
255 HA LYS 39 HA LYS 39 6.052 -11.844 -5.357
256 HB2 LYS 39 1HB LYS 39 4.790 -12.249 -3.326
257 HB3 LYS 39 2HB LYS 39 5.294 -13.934 -3.309
258 HG2 LYS 39 1HG LYS 39 6.758 -13.098 -1.794
259 HG3 LYS 39 2HG LYS 39 7.700 -12.836 -3.264
260 HD2 LYS 39 1HD LYS 39 7.872 -10.757 -2.337
261 HD3 LYS 39 2HD LYS 39 6.381 -10.536 -3.256
262 HE2 LYS 39 1HE LYS 39 6.609 -11.210 -0.324
263 HE3 LYS 39 2HE LYS 39 6.117 -9.662 -1.011
264 HZ1 LYS 39 3HZ LYS 39 4.651 -12.210 -1.428
265 HZ2 LYS 39 1HZ LYS 39 4.155 -10.663 -1.899
266 HZ3 LYS 39 2HZ LYS 39 4.243 -11.059 -0.257
267 HA PRO 40 HA PRO 40 8.665 -15.252 -7.080
268 HB2 PRO 40 1HB PRO 40 10.041 -13.640 -8.776
269 HB3 PRO 40 2HB PRO 40 8.491 -14.379 -9.198
270 HG2 PRO 40 1HG PRO 40 9.067 -11.601 -8.242
271 HG3 PRO 40 2HG PRO 40 7.975 -12.136 -9.532
272 HD2 PRO 40 1HD PRO 40 7.093 -11.467 -7.061
273 HD3 PRO 40 2HD PRO 40 6.305 -12.712 -8.052
274 H SER 41 H SER 41 9.027 -12.684 -5.053
275 HA SER 41 HA SER 41 11.938 -12.691 -4.985
276 HB2 SER 41 1HB SER 41 10.321 -10.645 -4.619
277 HB3 SER 41 2HB SER 41 10.256 -11.253 -2.965
278 HG SER 41 HG SER 41 11.946 -9.677 -3.409
279 H GLY 42 H GLY 42 9.422 -13.025 -2.471
280 HA2 GLY 42 1HA GLY 42 10.049 -15.513 -1.505
281 HA3 GLY 42 2HA GLY 42 11.205 -14.440 -0.728
282 HA PRO 43 HA PRO 43 6.716 -13.274 0.752
283 HB2 PRO 43 1HB PRO 43 4.915 -15.295 0.536
284 HB3 PRO 43 2HB PRO 43 5.147 -14.076 -0.723
285 HG2 PRO 43 1HG PRO 43 6.228 -16.863 -0.562
286 HG3 PRO 43 2HG PRO 43 5.535 -16.010 -1.954
287 HD2 PRO 43 1HD PRO 43 8.205 -16.286 -1.596
288 HD3 PRO 43 2HD PRO 43 7.489 -14.865 -2.385
289 H SER 44 H SER 44 6.185 -13.500 2.880
290 HA SER 44 HA SER 44 6.202 -15.932 4.311
291 HB2 SER 44 1HB SER 44 8.206 -15.545 5.716
292 HB3 SER 44 2HB SER 44 8.623 -15.819 4.025
293 HG SER 44 HG SER 44 9.780 -14.060 4.622
294 H SER 45 H SER 45 5.271 -15.699 6.298
295 HA SER 45 HA SER 45 3.938 -13.259 6.851
296 HB2 SER 45 1HB SER 45 4.300 -15.631 8.696
297 HB3 SER 45 2HB SER 45 3.057 -14.385 8.812
298 HG SER 45 HG SER 45 2.705 -16.582 7.646
299 H GLY 46 H GLY 46 4.746 -11.503 7.774
300 HA2 GLY 46 1HA GLY 46 5.870 -10.182 9.299
301 HA3 GLY 46 2HA GLY 46 6.341 -11.644 10.153
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -23.110 2.166 3.794
2 HA2 GLY 1 1HA GLY 1 -22.263 4.257 5.377
3 HA3 GLY 1 2HA GLY 1 -21.281 2.884 5.867
4 H SER 2 H SER 2 -20.024 5.048 4.851
5 HA SER 2 HA SER 2 -18.611 3.956 2.646
6 HB2 SER 2 1HB SER 2 -20.621 4.787 1.444
7 HB3 SER 2 2HB SER 2 -20.279 6.410 2.042
8 HG SER 2 HG SER 2 -19.060 4.970 0.029
9 H SER 3 H SER 3 -16.929 5.518 1.826
10 HA SER 3 HA SER 3 -16.341 7.828 3.420
11 HB2 SER 3 1HB SER 3 -15.624 5.645 4.732
12 HB3 SER 3 2HB SER 3 -14.237 5.715 3.645
13 HG SER 3 HG SER 3 -13.916 6.865 5.626
14 H GLY 4 H GLY 4 -13.956 8.545 2.900
15 HA2 GLY 4 1HA GLY 4 -12.380 7.887 0.864
16 HA3 GLY 4 2HA GLY 4 -13.773 8.508 -0.010
17 H SER 5 H SER 5 -12.516 10.187 -0.897
18 HA SER 5 HA SER 5 -12.081 12.408 0.973
19 HB2 SER 5 1HB SER 5 -10.004 13.013 -0.269
20 HB3 SER 5 2HB SER 5 -9.877 11.473 0.581
21 HG SER 5 HG SER 5 -10.123 11.971 -2.177
22 H SER 6 H SER 6 -13.326 14.037 0.364
23 HA SER 6 HA SER 6 -13.833 14.425 -2.514
24 HB2 SER 6 1HB SER 6 -15.864 13.786 -1.294
25 HB3 SER 6 2HB SER 6 -15.625 15.128 -0.175
26 HG SER 6 HG SER 6 -16.972 15.201 -2.384
27 H GLY 7 H GLY 7 -12.164 15.851 -2.921
28 HA2 GLY 7 1HA GLY 7 -12.313 18.432 -3.050
29 HA3 GLY 7 2HA GLY 7 -12.074 18.312 -1.313
30 H THR 8 H THR 8 -10.158 16.512 -0.955
31 HA THR 8 HA THR 8 -7.844 17.805 -2.172
32 HB THR 8 HB THR 8 -6.528 16.545 -0.479
33 HG1 THR 8 HG1 THR 8 -7.466 14.937 0.511
34 HG21 THR 8 3HG2 THR 8 -6.903 18.125 1.095
35 HG22 THR 8 1HG2 THR 8 -8.633 17.793 1.167
36 HG23 THR 8 2HG2 THR 8 -7.981 18.798 -0.128
37 H GLY 9 H GLY 9 -6.021 16.511 -2.928
38 HA2 GLY 9 1HA GLY 9 -5.078 14.838 -4.192
39 HA3 GLY 9 2HA GLY 9 -6.259 13.744 -3.488
40 H GLU 10 H GLU 10 -5.306 13.750 -6.201
41 HA GLU 10 HA GLU 10 -7.815 14.390 -7.608
42 HB2 GLU 10 1HB GLU 10 -5.024 14.341 -8.769
43 HB3 GLU 10 2HB GLU 10 -6.500 14.719 -9.645
44 HG2 GLU 10 1HG GLU 10 -5.777 16.332 -7.249
45 HG3 GLU 10 2HG GLU 10 -4.940 16.618 -8.774
46 H LYS 11 H LYS 11 -7.506 11.980 -6.271
47 HA LYS 11 HA LYS 11 -7.378 9.696 -6.524
48 HB2 LYS 11 1HB LYS 11 -8.914 10.619 -8.953
49 HB3 LYS 11 2HB LYS 11 -8.784 8.928 -8.486
50 HG2 LYS 11 1HG LYS 11 -9.801 9.514 -6.298
51 HG3 LYS 11 2HG LYS 11 -10.046 11.154 -6.901
52 HD2 LYS 11 1HD LYS 11 -12.088 10.189 -7.362
53 HD3 LYS 11 2HD LYS 11 -11.234 9.935 -8.885
54 HE2 LYS 11 1HE LYS 11 -10.871 7.672 -8.437
55 HE3 LYS 11 2HE LYS 11 -11.177 7.869 -6.712
56 HZ1 LYS 11 3HZ LYS 11 -13.222 7.163 -7.153
57 HZ2 LYS 11 1HZ LYS 11 -13.014 7.313 -8.826
58 HZ3 LYS 11 2HZ LYS 11 -13.503 8.649 -7.912
59 HA PRO 12 HA PRO 12 -3.914 9.976 -9.736
60 HB2 PRO 12 1HB PRO 12 -1.839 9.732 -8.003
61 HB3 PRO 12 2HB PRO 12 -2.524 11.294 -8.467
62 HG2 PRO 12 1HG PRO 12 -3.015 9.666 -6.003
63 HG3 PRO 12 2HG PRO 12 -2.764 11.415 -6.157
64 HD2 PRO 12 1HD PRO 12 -5.221 10.316 -5.866
65 HD3 PRO 12 2HD PRO 12 -4.943 11.797 -6.804
66 H TYR 13 H TYR 13 -3.819 8.088 -6.706
67 HA TYR 13 HA TYR 13 -3.849 5.619 -8.236
68 HB2 TYR 13 1HB TYR 13 -1.581 6.277 -6.346
69 HB3 TYR 13 2HB TYR 13 -1.844 4.720 -7.123
70 HD1 TYR 13 HD2 TYR 13 -1.442 4.444 -9.523
71 HD2 TYR 13 HD1 TYR 13 -0.676 8.148 -7.573
72 HE1 TYR 13 HE2 TYR 13 -0.111 5.180 -11.456
73 HE2 TYR 13 HE1 TYR 13 0.657 8.894 -9.501
74 HH TYR 13 HH TYR 13 1.127 6.795 -12.331
75 H LYS 14 H LYS 14 -4.500 3.817 -7.041
76 HA LYS 14 HA LYS 14 -4.853 3.894 -4.211
77 HB2 LYS 14 1HB LYS 14 -6.769 5.322 -5.360
78 HB3 LYS 14 2HB LYS 14 -7.470 3.733 -5.639
79 HG2 LYS 14 1HG LYS 14 -7.165 3.327 -3.151
80 HG3 LYS 14 2HG LYS 14 -6.844 5.057 -3.020
81 HD2 LYS 14 1HD LYS 14 -9.097 5.069 -2.655
82 HD3 LYS 14 2HD LYS 14 -9.093 5.204 -4.415
83 HE2 LYS 14 1HE LYS 14 -9.732 3.004 -4.715
84 HE3 LYS 14 2HE LYS 14 -9.124 2.504 -3.137
85 HZ1 LYS 14 3HZ LYS 14 -11.684 3.712 -3.845
86 HZ2 LYS 14 1HZ LYS 14 -11.008 4.168 -2.363
87 HZ3 LYS 14 2HZ LYS 14 -11.326 2.538 -2.681
88 H CYS 15 H CYS 15 -5.486 1.893 -3.351
89 HA CYS 15 HA CYS 15 -5.198 -0.325 -5.225
90 HB2 CYS 15 1HB CYS 15 -3.813 -0.221 -3.148
91 HB3 CYS 15 2HB CYS 15 -5.289 -0.392 -2.203
92 H ASN 16 H ASN 16 -7.018 -1.039 -6.121
93 HA ASN 16 HA ASN 16 -9.563 -0.786 -4.783
94 HB2 ASN 16 1HB ASN 16 -10.545 -1.344 -6.819
95 HB3 ASN 16 2HB ASN 16 -9.053 -0.559 -7.329
96 HD21 ASN 16 1HD2 ASN 16 -7.170 -2.105 -7.589
97 HD22 ASN 16 2HD2 ASN 16 -7.511 -3.597 -8.390
98 H GLU 17 H GLU 17 -7.788 -2.416 -3.354
99 HA GLU 17 HA GLU 17 -9.190 -4.996 -3.524
100 HB2 GLU 17 1HB GLU 17 -6.249 -4.639 -2.923
101 HB3 GLU 17 2HB GLU 17 -7.122 -6.164 -2.934
102 HG2 GLU 17 1HG GLU 17 -7.071 -4.453 -5.379
103 HG3 GLU 17 2HG GLU 17 -5.694 -5.480 -4.981
104 H CYS 18 H CYS 18 -7.341 -2.746 -1.520
105 HA CYS 18 HA CYS 18 -8.746 -3.817 0.840
106 HB2 CYS 18 1HB CYS 18 -6.798 -3.133 2.189
107 HB3 CYS 18 2HB CYS 18 -6.364 -4.325 0.968
108 H GLY 19 H GLY 19 -7.296 -0.921 -0.616
109 HA2 GLY 19 1HA GLY 19 -8.875 1.023 -0.683
110 HA3 GLY 19 2HA GLY 19 -9.142 0.702 1.025
111 H LYS 20 H LYS 20 -6.104 0.711 -0.803
112 HA LYS 20 HA LYS 20 -5.076 2.707 1.088
113 HB2 LYS 20 1HB LYS 20 -3.849 0.483 -0.460
114 HB3 LYS 20 2HB LYS 20 -2.855 1.904 -0.164
115 HG2 LYS 20 1HG LYS 20 -4.298 0.504 2.060
116 HG3 LYS 20 2HG LYS 20 -2.709 -0.024 1.499
117 HD2 LYS 20 1HD LYS 20 -1.851 2.262 1.923
118 HD3 LYS 20 2HD LYS 20 -3.428 2.699 2.585
119 HE2 LYS 20 1HE LYS 20 -1.943 2.161 4.398
120 HE3 LYS 20 2HE LYS 20 -3.166 0.898 4.268
121 HZ1 LYS 20 3HZ LYS 20 -0.398 0.730 3.203
122 HZ2 LYS 20 1HZ LYS 20 -1.572 -0.485 3.103
123 HZ3 LYS 20 2HZ LYS 20 -0.958 -0.025 4.610
124 H ALA 21 H ALA 21 -5.034 4.735 0.401
125 HA ALA 21 HA ALA 21 -4.933 5.280 -2.475
126 HB1 ALA 21 3HB ALA 21 -6.587 6.651 -1.839
127 HB2 ALA 21 1HB ALA 21 -6.086 6.632 -0.148
128 HB3 ALA 21 2HB ALA 21 -5.287 7.710 -1.294
129 H PHE 22 H PHE 22 -3.202 6.143 -3.441
130 HA PHE 22 HA PHE 22 -1.032 7.169 -1.731
131 HB2 PHE 22 1HB PHE 22 -0.576 5.827 -4.389
132 HB3 PHE 22 2HB PHE 22 0.595 6.156 -3.117
133 HD1 PHE 22 HD2 PHE 22 -2.421 4.138 -3.892
134 HD2 PHE 22 HD1 PHE 22 1.092 4.539 -1.523
135 HE1 PHE 22 HE2 PHE 22 -2.777 1.878 -2.988
136 HE2 PHE 22 HE1 PHE 22 0.743 2.279 -0.616
137 HZ PHE 22 HZ PHE 22 -1.195 0.946 -1.347
138 H ARG 23 H ARG 23 0.042 8.999 -2.396
139 HA ARG 23 HA ARG 23 -1.360 10.626 -4.347
140 HB2 ARG 23 1HB ARG 23 0.899 11.224 -2.434
141 HB3 ARG 23 2HB ARG 23 0.245 12.405 -3.561
142 HG2 ARG 23 1HG ARG 23 -1.496 10.987 -1.574
143 HG3 ARG 23 2HG ARG 23 -0.609 12.457 -1.164
144 HD2 ARG 23 1HD ARG 23 -1.725 13.644 -2.981
145 HD3 ARG 23 2HD ARG 23 -2.590 12.173 -3.422
146 HE ARG 23 HE ARG 23 -3.179 13.948 -1.227
147 HH11 ARG 23 1HH1 ARG 23 -3.586 10.754 -2.551
148 HH12 ARG 23 2HH1 ARG 23 -5.028 10.422 -1.650
149 HH21 ARG 23 1HH2 ARG 23 -5.076 13.523 -0.034
150 HH22 ARG 23 2HH2 ARG 23 -5.875 11.998 -0.219
151 H ALA 24 H ALA 24 1.516 8.745 -4.132
152 HA ALA 24 HA ALA 24 2.443 9.852 -6.703
153 HB1 ALA 24 3HB ALA 24 4.331 8.278 -5.063
154 HB2 ALA 24 1HB ALA 24 4.604 9.715 -6.049
155 HB3 ALA 24 2HB ALA 24 3.883 9.869 -4.447
156 H ARG 25 H ARG 25 3.426 8.327 -8.192
157 HA ARG 25 HA ARG 25 1.847 6.025 -8.577
158 HB2 ARG 25 1HB ARG 25 2.947 7.258 -10.412
159 HB3 ARG 25 2HB ARG 25 4.513 6.714 -9.826
160 HG2 ARG 25 1HG ARG 25 3.486 4.337 -10.124
161 HG3 ARG 25 2HG ARG 25 2.365 5.173 -11.201
162 HD2 ARG 25 1HD ARG 25 4.131 4.403 -12.567
163 HD3 ARG 25 2HD ARG 25 4.395 6.134 -12.359
164 HE ARG 25 HE ARG 25 6.309 5.679 -11.156
165 HH11 ARG 25 1HH1 ARG 25 4.516 2.746 -11.705
166 HH12 ARG 25 2HH1 ARG 25 5.797 1.709 -11.172
167 HH21 ARG 25 1HH2 ARG 25 8.004 4.324 -10.453
168 HH22 ARG 25 2HH2 ARG 25 7.780 2.608 -10.460
169 H SER 26 H SER 26 5.303 6.309 -7.737
170 HA SER 26 HA SER 26 5.831 3.611 -7.373
171 HB2 SER 26 1HB SER 26 7.444 5.637 -7.348
172 HB3 SER 26 2HB SER 26 7.088 5.712 -5.623
173 HG SER 26 HG SER 26 8.717 4.024 -6.960
174 H SER 27 H SER 27 4.567 5.981 -5.072
175 HA SER 27 HA SER 27 4.640 4.491 -2.744
176 HB2 SER 27 1HB SER 27 2.613 6.525 -3.690
177 HB3 SER 27 2HB SER 27 2.624 5.859 -2.057
178 HG SER 27 HG SER 27 4.676 7.358 -3.318
179 H LEU 28 H LEU 28 2.356 4.347 -5.409
180 HA LEU 28 HA LEU 28 0.545 2.571 -4.067
181 HB2 LEU 28 1HB LEU 28 -0.409 3.942 -5.723
182 HB3 LEU 28 2HB LEU 28 0.831 3.519 -6.901
183 HG LEU 28 HG LEU 28 -0.251 1.107 -6.588
184 HD11 LEU 28 1HD1 LEU 28 -1.960 1.367 -5.102
185 HD12 LEU 28 2HD1 LEU 28 -2.822 1.705 -6.602
186 HD13 LEU 28 3HD1 LEU 28 -2.275 3.035 -5.582
187 HD21 LEU 28 3HD2 LEU 28 -0.277 3.104 -8.515
188 HD22 LEU 28 1HD2 LEU 28 -1.972 2.652 -8.326
189 HD23 LEU 28 2HD2 LEU 28 -0.771 1.423 -8.728
190 H ALA 29 H ALA 29 3.049 2.223 -6.554
191 HA ALA 29 HA ALA 29 2.731 -0.475 -7.129
192 HB1 ALA 29 3HB ALA 29 4.430 -0.049 -8.490
193 HB2 ALA 29 1HB ALA 29 4.591 1.542 -7.745
194 HB3 ALA 29 2HB ALA 29 5.518 0.177 -7.121
195 H ILE 30 H ILE 30 5.132 0.918 -4.881
196 HA ILE 30 HA ILE 30 6.258 -1.249 -3.786
197 HB ILE 30 HB ILE 30 5.196 1.089 -2.195
198 HG12 ILE 30 1HG1 ILE 30 8.027 0.701 -3.128
199 HG13 ILE 30 2HG1 ILE 30 6.826 1.431 -4.188
200 HG21 ILE 30 1HG2 ILE 30 6.368 -1.308 -1.293
201 HG22 ILE 30 2HG2 ILE 30 7.593 -0.050 -1.136
202 HG23 ILE 30 3HG2 ILE 30 6.021 0.149 -0.362
203 HD11 ILE 30 3HD1 ILE 30 7.693 2.445 -1.492
204 HD12 ILE 30 1HD1 ILE 30 8.085 3.143 -3.063
205 HD13 ILE 30 2HD1 ILE 30 6.420 3.157 -2.483
206 H HIS 31 H HIS 31 3.016 -0.075 -2.987
207 HA HIS 31 HA HIS 31 2.524 -2.101 -1.029
208 HB2 HIS 31 1HB HIS 31 1.303 -0.065 -0.803
209 HB3 HIS 31 2HB HIS 31 0.725 -0.149 -2.465
210 HD1 HIS 31 HD1 HIS 31 0.278 -1.910 0.857
211 HD2 HIS 31 HD2 HIS 31 -1.668 -1.429 -2.782
212 HE1 HIS 31 HE1 HIS 31 -1.979 -2.979 1.154
213 H GLN 32 H GLN 32 1.401 -1.579 -4.366
214 HA GLN 32 HA GLN 32 -0.229 -3.750 -4.702
215 HB2 GLN 32 1HB GLN 32 1.733 -2.556 -6.664
216 HB3 GLN 32 2HB GLN 32 0.495 -3.723 -7.107
217 HG2 GLN 32 1HG GLN 32 -0.114 -1.084 -5.806
218 HG3 GLN 32 2HG GLN 32 -0.064 -1.323 -7.552
219 HE21 GLN 32 1HE2 GLN 32 -2.310 -0.550 -7.321
220 HE22 GLN 32 2HE2 GLN 32 -3.543 -1.717 -7.004
221 H ALA 33 H ALA 33 3.151 -3.757 -4.150
222 HA ALA 33 HA ALA 33 3.644 -6.368 -5.265
223 HB1 ALA 33 3HB ALA 33 5.315 -4.564 -3.526
224 HB2 ALA 33 1HB ALA 33 5.861 -6.125 -4.140
225 HB3 ALA 33 2HB ALA 33 5.465 -4.824 -5.263
226 H THR 34 H THR 34 1.691 -5.710 -2.922
227 HA THR 34 HA THR 34 2.690 -7.779 -1.076
228 HB THR 34 HB THR 34 2.175 -5.373 -0.232
229 HG1 THR 34 HG1 THR 34 0.905 -7.505 1.152
230 HG21 THR 34 3HG2 THR 34 -0.015 -5.137 -1.268
231 HG22 THR 34 1HG2 THR 34 -0.164 -5.077 0.488
232 HG23 THR 34 2HG2 THR 34 -0.605 -6.544 -0.385
233 H HIS 35 H HIS 35 0.032 -6.749 -3.087
234 HA HIS 35 HA HIS 35 -1.750 -8.824 -2.155
235 HB2 HIS 35 1HB HIS 35 -1.920 -6.780 -4.366
236 HB3 HIS 35 2HB HIS 35 -3.152 -8.017 -4.133
237 HD1 HIS 35 HD1 HIS 35 -4.692 -7.783 -2.071
238 HD2 HIS 35 HD2 HIS 35 -1.918 -4.717 -2.476
239 HE1 HIS 35 HE1 HIS 35 -5.440 -5.986 -0.479
240 H SER 36 H SER 36 0.641 -9.934 -2.978
241 HA SER 36 HA SER 36 0.930 -10.755 -5.582
242 HB2 SER 36 1HB SER 36 2.383 -11.281 -3.506
243 HB3 SER 36 2HB SER 36 1.340 -12.690 -3.311
244 HG SER 36 HG SER 36 2.453 -13.616 -4.817
245 H GLY 37 H GLY 37 0.442 -12.857 -6.590
246 HA2 GLY 37 1HA GLY 37 -2.326 -13.350 -6.659
247 HA3 GLY 37 2HA GLY 37 -1.092 -14.363 -7.392
248 H GLU 38 H GLU 38 -3.402 -14.108 -4.936
249 HA GLU 38 HA GLU 38 -2.767 -16.777 -4.007
250 HB2 GLU 38 1HB GLU 38 -1.527 -14.992 -2.570
251 HB3 GLU 38 2HB GLU 38 -3.118 -14.679 -1.892
252 HG2 GLU 38 1HG GLU 38 -1.660 -17.312 -1.871
253 HG3 GLU 38 2HG GLU 38 -1.880 -16.224 -0.502
254 H LYS 39 H LYS 39 -4.643 -17.789 -4.205
255 HA LYS 39 HA LYS 39 -6.923 -18.057 -4.468
256 HB2 LYS 39 1HB LYS 39 -6.318 -17.296 -1.655
257 HB3 LYS 39 2HB LYS 39 -8.011 -17.401 -2.120
258 HG2 LYS 39 1HG LYS 39 -6.067 -19.631 -2.629
259 HG3 LYS 39 2HG LYS 39 -6.963 -19.477 -1.116
260 HD2 LYS 39 1HD LYS 39 -9.019 -19.261 -2.754
261 HD3 LYS 39 2HD LYS 39 -7.943 -20.124 -3.855
262 HE2 LYS 39 1HE LYS 39 -7.603 -21.794 -1.972
263 HE3 LYS 39 2HE LYS 39 -8.960 -21.009 -1.166
264 HZ1 LYS 39 3HZ LYS 39 -9.623 -21.608 -3.851
265 HZ2 LYS 39 1HZ LYS 39 -10.372 -22.131 -2.426
266 HZ3 LYS 39 2HZ LYS 39 -9.075 -23.006 -3.070
267 HA PRO 40 HA PRO 40 -7.726 -13.435 -5.056
268 HB2 PRO 40 1HB PRO 40 -7.681 -13.442 -7.770
269 HB3 PRO 40 2HB PRO 40 -6.239 -13.165 -6.786
270 HG2 PRO 40 1HG PRO 40 -7.155 -15.673 -8.139
271 HG3 PRO 40 2HG PRO 40 -5.525 -14.982 -8.049
272 HD2 PRO 40 1HD PRO 40 -6.332 -17.023 -6.463
273 HD3 PRO 40 2HD PRO 40 -5.158 -15.804 -5.927
274 H SER 41 H SER 41 -9.807 -12.870 -5.037
275 HA SER 41 HA SER 41 -11.707 -14.119 -6.839
276 HB2 SER 41 1HB SER 41 -13.177 -14.978 -5.199
277 HB3 SER 41 2HB SER 41 -11.577 -15.515 -4.686
278 HG SER 41 HG SER 41 -13.176 -14.369 -3.146
279 H GLY 42 H GLY 42 -13.085 -12.637 -7.577
280 HA2 GLY 42 1HA GLY 42 -14.710 -10.876 -6.593
281 HA3 GLY 42 2HA GLY 42 -13.213 -10.062 -6.163
282 HA PRO 43 HA PRO 43 -13.531 -10.079 -11.008
283 HB2 PRO 43 1HB PRO 43 -15.989 -10.640 -12.014
284 HB3 PRO 43 2HB PRO 43 -14.757 -11.878 -11.741
285 HG2 PRO 43 1HG PRO 43 -17.106 -11.137 -10.040
286 HG3 PRO 43 2HG PRO 43 -16.494 -12.747 -10.462
287 HD2 PRO 43 1HD PRO 43 -15.977 -11.571 -8.078
288 HD3 PRO 43 2HD PRO 43 -14.829 -12.670 -8.870
289 H SER 44 H SER 44 -13.547 -8.011 -11.600
290 HA SER 44 HA SER 44 -15.890 -6.459 -11.847
291 HB2 SER 44 1HB SER 44 -15.580 -4.819 -10.103
292 HB3 SER 44 2HB SER 44 -15.638 -6.414 -9.352
293 HG SER 44 HG SER 44 -13.712 -6.066 -8.615
294 H SER 45 H SER 45 -15.544 -4.664 -13.091
295 HA SER 45 HA SER 45 -14.447 -3.502 -14.734
296 HB2 SER 45 1HB SER 45 -12.582 -3.062 -12.389
297 HB3 SER 45 2HB SER 45 -12.598 -2.092 -13.862
298 HG SER 45 HG SER 45 -15.017 -2.410 -12.520
299 H GLY 46 H GLY 46 -13.894 -6.220 -14.928
300 HA2 GLY 46 1HA GLY 46 -11.007 -6.343 -15.482
301 HA3 GLY 46 2HA GLY 46 -12.069 -7.731 -15.299
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -19.041 15.447 13.278
2 HA2 GLY 1 1HA GLY 1 -19.678 13.033 11.701
3 HA3 GLY 1 2HA GLY 1 -18.533 14.228 11.109
4 H SER 2 H SER 2 -18.437 11.285 12.055
5 HA SER 2 HA SER 2 -16.461 11.463 14.182
6 HB2 SER 2 1HB SER 2 -17.745 9.121 12.769
7 HB3 SER 2 2HB SER 2 -16.479 8.938 13.983
8 HG SER 2 HG SER 2 -17.823 9.699 15.521
9 H SER 3 H SER 3 -16.627 10.072 10.903
10 HA SER 3 HA SER 3 -14.157 9.167 10.451
11 HB2 SER 3 1HB SER 3 -15.880 10.877 8.669
12 HB3 SER 3 2HB SER 3 -14.335 10.238 8.108
13 HG SER 3 HG SER 3 -15.280 8.138 8.926
14 H GLY 4 H GLY 4 -14.997 12.624 10.233
15 HA2 GLY 4 1HA GLY 4 -13.698 14.468 10.753
16 HA3 GLY 4 2HA GLY 4 -12.413 13.378 11.251
17 H SER 5 H SER 5 -14.024 14.685 8.372
18 HA SER 5 HA SER 5 -11.438 14.501 6.968
19 HB2 SER 5 1HB SER 5 -14.213 14.329 5.767
20 HB3 SER 5 2HB SER 5 -12.698 14.269 4.866
21 HG SER 5 HG SER 5 -13.795 12.200 5.515
22 H SER 6 H SER 6 -10.618 16.506 7.147
23 HA SER 6 HA SER 6 -12.326 18.838 6.875
24 HB2 SER 6 1HB SER 6 -10.425 18.661 8.553
25 HB3 SER 6 2HB SER 6 -9.320 18.807 7.186
26 HG SER 6 HG SER 6 -9.745 20.835 8.138
27 H GLY 7 H GLY 7 -12.975 18.681 4.701
28 HA2 GLY 7 1HA GLY 7 -12.815 19.439 2.522
29 HA3 GLY 7 2HA GLY 7 -11.158 19.921 2.854
30 H THR 8 H THR 8 -13.050 16.912 2.557
31 HA THR 8 HA THR 8 -11.150 15.082 2.026
32 HB THR 8 HB THR 8 -12.731 13.961 0.453
33 HG1 THR 8 HG1 THR 8 -14.623 15.970 0.971
34 HG21 THR 8 3HG2 THR 8 -13.025 13.490 2.764
35 HG22 THR 8 1HG2 THR 8 -14.632 13.813 2.114
36 HG23 THR 8 2HG2 THR 8 -13.795 15.049 3.054
37 H GLY 9 H GLY 9 -9.498 14.901 0.666
38 HA2 GLY 9 1HA GLY 9 -9.512 16.553 -1.772
39 HA3 GLY 9 2HA GLY 9 -8.074 15.954 -0.959
40 H GLU 10 H GLU 10 -9.038 15.716 -3.778
41 HA GLU 10 HA GLU 10 -9.679 12.940 -4.150
42 HB2 GLU 10 1HB GLU 10 -9.059 15.229 -5.989
43 HB3 GLU 10 2HB GLU 10 -9.120 13.585 -6.608
44 HG2 GLU 10 1HG GLU 10 -11.433 13.468 -5.510
45 HG3 GLU 10 2HG GLU 10 -11.324 15.225 -5.421
46 H LYS 11 H LYS 11 -8.361 11.295 -4.825
47 HA LYS 11 HA LYS 11 -5.479 11.799 -4.577
48 HB2 LYS 11 1HB LYS 11 -5.496 9.183 -4.478
49 HB3 LYS 11 2HB LYS 11 -5.962 10.121 -3.065
50 HG2 LYS 11 1HG LYS 11 -8.081 9.290 -4.977
51 HG3 LYS 11 2HG LYS 11 -7.396 8.082 -3.887
52 HD2 LYS 11 1HD LYS 11 -8.000 9.400 -1.965
53 HD3 LYS 11 2HD LYS 11 -8.534 10.730 -2.996
54 HE2 LYS 11 1HE LYS 11 -9.754 7.974 -3.016
55 HE3 LYS 11 2HE LYS 11 -10.382 9.325 -2.074
56 HZ1 LYS 11 3HZ LYS 11 -10.165 10.377 -4.550
57 HZ2 LYS 11 1HZ LYS 11 -11.588 9.744 -3.888
58 HZ3 LYS 11 2HZ LYS 11 -10.621 8.784 -4.891
59 HA PRO 12 HA PRO 12 -4.845 11.130 -8.881
60 HB2 PRO 12 1HB PRO 12 -2.245 10.350 -8.820
61 HB3 PRO 12 2HB PRO 12 -2.753 12.023 -8.559
62 HG2 PRO 12 1HG PRO 12 -2.024 9.929 -6.548
63 HG3 PRO 12 2HG PRO 12 -1.576 11.644 -6.589
64 HD2 PRO 12 1HD PRO 12 -3.562 10.694 -5.012
65 HD3 PRO 12 2HD PRO 12 -3.600 12.323 -5.719
66 H TYR 13 H TYR 13 -3.844 8.601 -6.615
67 HA TYR 13 HA TYR 13 -4.717 6.596 -8.576
68 HB2 TYR 13 1HB TYR 13 -2.083 6.765 -7.170
69 HB3 TYR 13 2HB TYR 13 -2.769 5.178 -7.502
70 HD1 TYR 13 HD1 TYR 13 -2.088 8.406 -9.263
71 HD2 TYR 13 HD2 TYR 13 -2.217 4.160 -9.498
72 HE1 TYR 13 HE1 TYR 13 -1.204 8.512 -11.556
73 HE2 TYR 13 HE2 TYR 13 -1.333 4.254 -11.791
74 HH TYR 13 HH TYR 13 0.210 6.675 -13.070
75 H LYS 14 H LYS 14 -5.187 4.480 -7.587
76 HA LYS 14 HA LYS 14 -5.569 4.368 -4.732
77 HB2 LYS 14 1HB LYS 14 -7.555 5.596 -5.248
78 HB3 LYS 14 2HB LYS 14 -7.920 4.551 -6.615
79 HG2 LYS 14 1HG LYS 14 -9.377 3.709 -5.088
80 HG3 LYS 14 2HG LYS 14 -7.973 2.697 -4.738
81 HD2 LYS 14 1HD LYS 14 -8.645 3.398 -2.628
82 HD3 LYS 14 2HD LYS 14 -7.364 4.544 -3.031
83 HE2 LYS 14 1HE LYS 14 -9.093 5.871 -2.176
84 HE3 LYS 14 2HE LYS 14 -9.231 6.042 -3.926
85 HZ1 LYS 14 3HZ LYS 14 -10.776 3.892 -2.727
86 HZ2 LYS 14 1HZ LYS 14 -11.193 4.967 -3.966
87 HZ3 LYS 14 2HZ LYS 14 -11.284 5.462 -2.351
88 H CYS 15 H CYS 15 -5.717 2.295 -3.982
89 HA CYS 15 HA CYS 15 -5.052 0.201 -5.825
90 HB2 CYS 15 1HB CYS 15 -4.191 0.441 -3.440
91 HB3 CYS 15 2HB CYS 15 -5.769 -0.134 -2.913
92 H ASN 16 H ASN 16 -6.248 -1.638 -6.330
93 HA ASN 16 HA ASN 16 -9.148 -1.303 -6.036
94 HB2 ASN 16 1HB ASN 16 -9.260 -2.986 -7.905
95 HB3 ASN 16 2HB ASN 16 -8.477 -1.467 -8.331
96 HD21 ASN 16 1HD2 ASN 16 -8.294 -4.630 -8.822
97 HD22 ASN 16 2HD2 ASN 16 -6.591 -4.829 -9.034
98 H GLU 17 H GLU 17 -6.748 -2.837 -4.477
99 HA GLU 17 HA GLU 17 -8.182 -5.355 -4.072
100 HB2 GLU 17 1HB GLU 17 -5.423 -4.414 -3.313
101 HB3 GLU 17 2HB GLU 17 -6.114 -5.896 -2.667
102 HG2 GLU 17 1HG GLU 17 -5.821 -5.343 -5.606
103 HG3 GLU 17 2HG GLU 17 -4.612 -6.188 -4.641
104 H CYS 18 H CYS 18 -6.818 -2.674 -2.174
105 HA CYS 18 HA CYS 18 -8.677 -3.386 -0.000
106 HB2 CYS 18 1HB CYS 18 -7.059 -2.219 1.514
107 HB3 CYS 18 2HB CYS 18 -6.413 -3.673 0.760
108 H GLY 19 H GLY 19 -7.026 -0.645 -1.563
109 HA2 GLY 19 1HA GLY 19 -8.613 1.130 -2.350
110 HA3 GLY 19 2HA GLY 19 -9.301 1.052 -0.735
111 H LYS 20 H LYS 20 -5.876 0.744 -1.131
112 HA LYS 20 HA LYS 20 -5.393 3.019 0.525
113 HB2 LYS 20 1HB LYS 20 -3.696 0.994 -0.870
114 HB3 LYS 20 2HB LYS 20 -2.938 2.473 -0.293
115 HG2 LYS 20 1HG LYS 20 -4.655 0.911 1.572
116 HG3 LYS 20 2HG LYS 20 -3.028 0.333 1.206
117 HD2 LYS 20 1HD LYS 20 -3.546 3.165 2.064
118 HD3 LYS 20 2HD LYS 20 -3.318 1.866 3.237
119 HE2 LYS 20 1HE LYS 20 -1.355 2.495 1.041
120 HE3 LYS 20 2HE LYS 20 -1.251 3.176 2.663
121 HZ1 LYS 20 3HZ LYS 20 0.027 1.003 2.040
122 HZ2 LYS 20 1HZ LYS 20 -1.458 0.266 2.376
123 HZ3 LYS 20 2HZ LYS 20 -0.678 1.177 3.568
124 H ALA 21 H ALA 21 -5.175 5.070 -0.062
125 HA ALA 21 HA ALA 21 -5.003 5.729 -2.897
126 HB1 ALA 21 3HB ALA 21 -6.141 7.593 -2.405
127 HB2 ALA 21 1HB ALA 21 -6.466 6.808 -0.859
128 HB3 ALA 21 2HB ALA 21 -5.132 7.953 -1.004
129 H PHE 22 H PHE 22 -3.098 6.088 -3.808
130 HA PHE 22 HA PHE 22 -0.880 7.034 -2.122
131 HB2 PHE 22 1HB PHE 22 -0.720 5.634 -4.798
132 HB3 PHE 22 2HB PHE 22 0.630 6.036 -3.742
133 HD1 PHE 22 HD2 PHE 22 -2.276 3.842 -4.204
134 HD2 PHE 22 HD1 PHE 22 1.154 4.699 -1.833
135 HE1 PHE 22 HE2 PHE 22 -2.500 1.657 -3.095
136 HE2 PHE 22 HE1 PHE 22 0.935 2.515 -0.722
137 HZ PHE 22 HZ PHE 22 -0.894 0.991 -1.351
138 H ARG 23 H ARG 23 0.769 8.371 -3.335
139 HA ARG 23 HA ARG 23 -0.584 10.222 -5.186
140 HB2 ARG 23 1HB ARG 23 1.308 10.852 -2.919
141 HB3 ARG 23 2HB ARG 23 0.882 12.011 -4.171
142 HG2 ARG 23 1HG ARG 23 -1.561 11.471 -3.467
143 HG3 ARG 23 2HG ARG 23 -0.804 10.880 -1.987
144 HD2 ARG 23 1HD ARG 23 -0.170 13.595 -3.094
145 HD3 ARG 23 2HD ARG 23 -1.580 13.330 -2.068
146 HE ARG 23 HE ARG 23 0.523 12.235 -0.693
147 HH11 ARG 23 1HH1 ARG 23 -0.243 15.369 -1.999
148 HH12 ARG 23 2HH1 ARG 23 0.655 16.235 -0.797
149 HH21 ARG 23 1HH2 ARG 23 1.708 13.363 0.897
150 HH22 ARG 23 2HH2 ARG 23 1.765 15.092 0.850
151 H ALA 24 H ALA 24 1.095 7.912 -5.787
152 HA ALA 24 HA ALA 24 2.763 9.092 -7.748
153 HB1 ALA 24 3HB ALA 24 4.584 9.477 -6.518
154 HB2 ALA 24 1HB ALA 24 3.968 8.539 -5.158
155 HB3 ALA 24 2HB ALA 24 4.793 7.726 -6.488
156 H ARG 25 H ARG 25 2.998 7.688 -9.378
157 HA ARG 25 HA ARG 25 1.712 5.312 -9.598
158 HB2 ARG 25 1HB ARG 25 4.164 6.377 -10.947
159 HB3 ARG 25 2HB ARG 25 3.630 4.738 -11.296
160 HG2 ARG 25 1HG ARG 25 1.667 5.450 -12.294
161 HG3 ARG 25 2HG ARG 25 1.711 7.020 -11.490
162 HD2 ARG 25 1HD ARG 25 2.273 7.402 -13.762
163 HD3 ARG 25 2HD ARG 25 3.770 7.533 -12.840
164 HE ARG 25 HE ARG 25 3.329 4.903 -13.885
165 HH11 ARG 25 1HH1 ARG 25 4.532 8.085 -14.626
166 HH12 ARG 25 2HH1 ARG 25 5.594 7.534 -15.879
167 HH21 ARG 25 1HH2 ARG 25 4.723 4.165 -15.533
168 HH22 ARG 25 2HH2 ARG 25 5.701 5.304 -16.395
169 H SER 26 H SER 26 5.031 5.775 -8.449
170 HA SER 26 HA SER 26 5.571 3.002 -8.108
171 HB2 SER 26 1HB SER 26 6.925 5.368 -6.790
172 HB3 SER 26 2HB SER 26 7.572 3.733 -6.917
173 HG SER 26 HG SER 26 7.818 5.706 -8.650
174 H SER 27 H SER 27 4.345 5.549 -6.012
175 HA SER 27 HA SER 27 4.535 4.312 -3.542
176 HB2 SER 27 1HB SER 27 2.422 6.183 -4.623
177 HB3 SER 27 2HB SER 27 2.512 5.698 -2.930
178 HG SER 27 HG SER 27 3.605 7.665 -3.296
179 H LEU 28 H LEU 28 2.192 3.832 -6.111
180 HA LEU 28 HA LEU 28 0.429 2.199 -4.559
181 HB2 LEU 28 1HB LEU 28 -0.491 3.346 -6.421
182 HB3 LEU 28 2HB LEU 28 0.726 2.687 -7.511
183 HG LEU 28 HG LEU 28 -0.318 0.412 -7.059
184 HD11 LEU 28 1HD1 LEU 28 -1.731 1.804 -5.146
185 HD12 LEU 28 2HD1 LEU 28 -2.103 0.189 -5.747
186 HD13 LEU 28 3HD1 LEU 28 -2.899 1.596 -6.451
187 HD21 LEU 28 3HD2 LEU 28 -2.037 2.478 -8.427
188 HD22 LEU 28 1HD2 LEU 28 -2.030 0.740 -8.728
189 HD23 LEU 28 2HD2 LEU 28 -0.616 1.712 -9.139
190 H ALA 29 H ALA 29 2.972 1.561 -6.945
191 HA ALA 29 HA ALA 29 2.693 -1.215 -7.094
192 HB1 ALA 29 3HB ALA 29 5.262 0.342 -7.340
193 HB2 ALA 29 1HB ALA 29 4.917 -1.253 -8.010
194 HB3 ALA 29 2HB ALA 29 4.068 0.165 -8.625
195 H ILE 30 H ILE 30 5.113 0.601 -5.195
196 HA ILE 30 HA ILE 30 6.338 -1.341 -3.803
197 HB ILE 30 HB ILE 30 5.300 1.215 -2.574
198 HG12 ILE 30 1HG1 ILE 30 8.112 0.834 -3.501
199 HG13 ILE 30 2HG1 ILE 30 6.871 1.135 -4.713
200 HG21 ILE 30 1HG2 ILE 30 6.290 -0.838 -1.174
201 HG22 ILE 30 2HG2 ILE 30 7.800 -0.050 -1.631
202 HG23 ILE 30 3HG2 ILE 30 6.573 0.847 -0.737
203 HD11 ILE 30 3HD1 ILE 30 6.727 2.969 -2.463
204 HD12 ILE 30 1HD1 ILE 30 8.264 3.039 -3.325
205 HD13 ILE 30 2HD1 ILE 30 6.751 3.293 -4.196
206 H HIS 31 H HIS 31 3.071 -0.170 -3.197
207 HA HIS 31 HA HIS 31 2.683 -1.724 -0.828
208 HB2 HIS 31 1HB HIS 31 1.247 0.081 -0.861
209 HB3 HIS 31 2HB HIS 31 0.953 -0.048 -2.592
210 HD1 HIS 31 HD1 HIS 31 0.309 -2.489 0.264
211 HD2 HIS 31 HD2 HIS 31 -1.664 -0.627 -2.883
212 HE1 HIS 31 HE1 HIS 31 -2.035 -3.399 0.308
213 H GLN 32 H GLN 32 1.820 -2.107 -4.238
214 HA GLN 32 HA GLN 32 0.188 -4.308 -4.142
215 HB2 GLN 32 1HB GLN 32 2.332 -3.614 -6.150
216 HB3 GLN 32 2HB GLN 32 1.167 -4.910 -6.388
217 HG2 GLN 32 1HG GLN 32 0.408 -2.038 -5.922
218 HG3 GLN 32 2HG GLN 32 0.599 -2.764 -7.517
219 HE21 GLN 32 1HE2 GLN 32 -1.725 -1.821 -7.360
220 HE22 GLN 32 2HE2 GLN 32 -2.946 -2.969 -6.939
221 H ALA 33 H ALA 33 3.485 -4.119 -3.261
222 HA ALA 33 HA ALA 33 4.090 -6.908 -3.627
223 HB1 ALA 33 3HB ALA 33 5.517 -4.513 -2.777
224 HB2 ALA 33 1HB ALA 33 5.969 -5.956 -1.867
225 HB3 ALA 33 2HB ALA 33 6.105 -5.943 -3.626
226 H THR 34 H THR 34 1.912 -5.648 -1.710
227 HA THR 34 HA THR 34 2.634 -7.239 0.661
228 HB THR 34 HB THR 34 2.083 -4.713 0.854
229 HG1 THR 34 HG1 THR 34 0.704 -5.364 2.820
230 HG21 THR 34 3HG2 THR 34 0.011 -4.884 -0.531
231 HG22 THR 34 1HG2 THR 34 -0.244 -4.144 1.049
232 HG23 THR 34 2HG2 THR 34 -0.724 -5.818 0.772
233 H HIS 35 H HIS 35 0.220 -6.720 -1.812
234 HA HIS 35 HA HIS 35 -1.764 -8.420 -0.655
235 HB2 HIS 35 1HB HIS 35 -1.383 -7.191 -3.373
236 HB3 HIS 35 2HB HIS 35 -2.670 -8.356 -3.079
237 HD1 HIS 35 HD1 HIS 35 -4.199 -7.611 -0.839
238 HD2 HIS 35 HD2 HIS 35 -2.199 -4.655 -2.967
239 HE1 HIS 35 HE1 HIS 35 -5.353 -5.457 -0.245
240 H SER 36 H SER 36 -0.943 -10.425 -0.201
241 HA SER 36 HA SER 36 0.802 -11.963 -1.656
242 HB2 SER 36 1HB SER 36 -0.324 -13.946 -0.593
243 HB3 SER 36 2HB SER 36 0.114 -12.667 0.539
244 HG SER 36 HG SER 36 -2.086 -13.597 0.698
245 H GLY 37 H GLY 37 -2.749 -11.941 -1.941
246 HA2 GLY 37 1HA GLY 37 -2.445 -12.860 -4.715
247 HA3 GLY 37 2HA GLY 37 -3.496 -13.766 -3.636
248 H GLU 38 H GLU 38 -5.555 -13.336 -4.023
249 HA GLU 38 HA GLU 38 -6.328 -10.537 -4.511
250 HB2 GLU 38 1HB GLU 38 -7.238 -13.021 -5.950
251 HB3 GLU 38 2HB GLU 38 -8.194 -11.546 -5.953
252 HG2 GLU 38 1HG GLU 38 -7.012 -11.316 -7.896
253 HG3 GLU 38 2HG GLU 38 -5.980 -10.442 -6.765
254 H LYS 39 H LYS 39 -7.924 -9.782 -3.264
255 HA LYS 39 HA LYS 39 -9.479 -11.727 -1.688
256 HB2 LYS 39 1HB LYS 39 -7.738 -10.290 -0.459
257 HB3 LYS 39 2HB LYS 39 -8.825 -8.940 -0.756
258 HG2 LYS 39 1HG LYS 39 -10.457 -9.771 0.652
259 HG3 LYS 39 2HG LYS 39 -9.846 -11.424 0.551
260 HD2 LYS 39 1HD LYS 39 -7.847 -10.728 1.822
261 HD3 LYS 39 2HD LYS 39 -8.533 -9.108 1.974
262 HE2 LYS 39 1HE LYS 39 -10.161 -11.444 2.849
263 HE3 LYS 39 2HE LYS 39 -8.831 -10.910 3.876
264 HZ1 LYS 39 3HZ LYS 39 -10.715 -8.897 2.886
265 HZ2 LYS 39 1HZ LYS 39 -9.855 -8.946 4.343
266 HZ3 LYS 39 2HZ LYS 39 -11.224 -9.917 4.135
267 HA PRO 40 HA PRO 40 -12.320 -9.064 -4.275
268 HB2 PRO 40 1HB PRO 40 -13.710 -11.135 -5.347
269 HB3 PRO 40 2HB PRO 40 -12.232 -10.492 -6.072
270 HG2 PRO 40 1HG PRO 40 -12.598 -12.906 -4.339
271 HG3 PRO 40 2HG PRO 40 -11.618 -12.719 -5.806
272 HD2 PRO 40 1HD PRO 40 -10.550 -12.635 -3.319
273 HD3 PRO 40 2HD PRO 40 -9.892 -11.694 -4.674
274 H SER 41 H SER 41 -12.439 -11.063 -1.629
275 HA SER 41 HA SER 41 -15.301 -11.225 -1.333
276 HB2 SER 41 1HB SER 41 -13.656 -12.911 -0.398
277 HB3 SER 41 2HB SER 41 -13.215 -11.698 0.803
278 HG SER 41 HG SER 41 -15.926 -12.244 0.486
279 H GLY 42 H GLY 42 -16.073 -9.120 -1.358
280 HA2 GLY 42 1HA GLY 42 -16.875 -7.666 0.555
281 HA3 GLY 42 2HA GLY 42 -15.165 -7.391 0.856
282 HA PRO 43 HA PRO 43 -16.181 -5.224 -3.355
283 HB2 PRO 43 1HB PRO 43 -18.811 -5.016 -3.996
284 HB3 PRO 43 2HB PRO 43 -17.803 -6.377 -4.502
285 HG2 PRO 43 1HG PRO 43 -19.732 -6.194 -2.220
286 HG3 PRO 43 2HG PRO 43 -19.488 -7.517 -3.375
287 HD2 PRO 43 1HD PRO 43 -18.456 -7.560 -0.872
288 HD3 PRO 43 2HD PRO 43 -17.644 -8.325 -2.254
289 H SER 44 H SER 44 -16.025 -3.077 -3.199
290 HA SER 44 HA SER 44 -17.842 -1.670 -1.353
291 HB2 SER 44 1HB SER 44 -15.629 -1.730 -0.370
292 HB3 SER 44 2HB SER 44 -14.906 -1.147 -1.869
293 HG SER 44 HG SER 44 -15.124 0.683 -0.779
294 H SER 45 H SER 45 -15.721 -1.248 -4.177
295 HA SER 45 HA SER 45 -16.267 1.204 -5.082
296 HB2 SER 45 1HB SER 45 -16.229 -1.359 -6.680
297 HB3 SER 45 2HB SER 45 -16.289 0.234 -7.435
298 HG SER 45 HG SER 45 -14.328 -0.256 -5.501
299 H GLY 46 H GLY 46 -17.861 2.294 -6.248
300 HA2 GLY 46 1HA GLY 46 -20.504 1.872 -5.511
301 HA3 GLY 46 2HA GLY 46 -19.996 2.859 -6.873
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -17.303 19.998 17.659
2 HA2 GLY 1 1HA GLY 1 -16.907 17.339 18.075
3 HA3 GLY 1 2HA GLY 1 -18.370 17.676 18.989
4 H SER 2 H SER 2 -17.147 18.773 15.826
5 HA SER 2 HA SER 2 -19.664 17.799 14.641
6 HB2 SER 2 1HB SER 2 -19.613 19.682 13.095
7 HB3 SER 2 2HB SER 2 -19.562 20.278 14.754
8 HG SER 2 HG SER 2 -17.287 20.496 14.505
9 H SER 3 H SER 3 -19.493 17.414 12.257
10 HA SER 3 HA SER 3 -16.992 17.016 11.007
11 HB2 SER 3 1HB SER 3 -16.732 14.650 11.093
12 HB3 SER 3 2HB SER 3 -16.984 15.170 12.759
13 HG SER 3 HG SER 3 -18.961 14.301 12.754
14 H GLY 4 H GLY 4 -17.342 17.039 8.880
15 HA2 GLY 4 1HA GLY 4 -19.949 17.162 7.808
16 HA3 GLY 4 2HA GLY 4 -18.464 17.036 6.877
17 H SER 5 H SER 5 -21.117 15.755 6.522
18 HA SER 5 HA SER 5 -20.820 12.983 7.149
19 HB2 SER 5 1HB SER 5 -22.847 12.655 5.899
20 HB3 SER 5 2HB SER 5 -23.022 14.159 6.802
21 HG SER 5 HG SER 5 -22.191 15.146 4.748
22 H SER 6 H SER 6 -20.011 15.016 4.427
23 HA SER 6 HA SER 6 -18.519 12.805 3.250
24 HB2 SER 6 1HB SER 6 -19.477 12.978 1.091
25 HB3 SER 6 2HB SER 6 -20.851 12.951 2.197
26 HG SER 6 HG SER 6 -19.680 15.271 1.050
27 H GLY 7 H GLY 7 -17.193 13.644 1.324
28 HA2 GLY 7 1HA GLY 7 -16.598 16.449 1.254
29 HA3 GLY 7 2HA GLY 7 -15.386 15.535 2.140
30 H THR 8 H THR 8 -14.370 16.776 0.102
31 HA THR 8 HA THR 8 -14.578 15.527 -2.425
32 HB THR 8 HB THR 8 -12.500 16.709 -2.996
33 HG1 THR 8 HG1 THR 8 -12.343 16.909 -0.212
34 HG21 THR 8 3HG2 THR 8 -13.332 18.922 -2.798
35 HG22 THR 8 1HG2 THR 8 -14.232 18.530 -1.333
36 HG23 THR 8 2HG2 THR 8 -14.747 17.874 -2.888
37 H GLY 9 H GLY 9 -12.849 14.325 -3.526
38 HA2 GLY 9 1HA GLY 9 -10.886 12.937 -1.948
39 HA3 GLY 9 2HA GLY 9 -12.245 11.916 -2.396
40 H GLU 10 H GLU 10 -10.289 14.391 -4.065
41 HA GLU 10 HA GLU 10 -10.269 12.731 -6.453
42 HB2 GLU 10 1HB GLU 10 -10.570 15.342 -6.278
43 HB3 GLU 10 2HB GLU 10 -8.812 15.334 -6.260
44 HG2 GLU 10 1HG GLU 10 -10.319 13.866 -8.383
45 HG3 GLU 10 2HG GLU 10 -10.048 15.603 -8.503
46 H LYS 11 H LYS 11 -8.932 11.023 -5.756
47 HA LYS 11 HA LYS 11 -6.137 11.711 -5.179
48 HB2 LYS 11 1HB LYS 11 -7.599 9.080 -4.885
49 HB3 LYS 11 2HB LYS 11 -5.916 9.360 -4.457
50 HG2 LYS 11 1HG LYS 11 -8.032 11.062 -3.229
51 HG3 LYS 11 2HG LYS 11 -7.782 9.418 -2.635
52 HD2 LYS 11 1HD LYS 11 -5.669 9.883 -1.843
53 HD3 LYS 11 2HD LYS 11 -5.425 11.216 -2.974
54 HE2 LYS 11 1HE LYS 11 -7.326 11.260 -0.633
55 HE3 LYS 11 2HE LYS 11 -5.709 11.961 -0.631
56 HZ1 LYS 11 3HZ LYS 11 -8.112 12.853 -2.073
57 HZ2 LYS 11 1HZ LYS 11 -6.582 13.226 -2.691
58 HZ3 LYS 11 2HZ LYS 11 -7.023 13.757 -1.147
59 HA PRO 12 HA PRO 12 -4.847 10.518 -9.215
60 HB2 PRO 12 1HB PRO 12 -2.260 9.893 -8.676
61 HB3 PRO 12 2HB PRO 12 -2.857 11.556 -8.723
62 HG2 PRO 12 1HG PRO 12 -2.366 9.785 -6.360
63 HG3 PRO 12 2HG PRO 12 -1.975 11.502 -6.572
64 HD2 PRO 12 1HD PRO 12 -4.141 10.662 -5.180
65 HD3 PRO 12 2HD PRO 12 -4.127 12.180 -6.101
66 H TYR 13 H TYR 13 -3.689 8.372 -6.609
67 HA TYR 13 HA TYR 13 -4.395 6.076 -8.314
68 HB2 TYR 13 1HB TYR 13 -1.914 6.562 -6.697
69 HB3 TYR 13 2HB TYR 13 -2.461 4.918 -7.006
70 HD1 TYR 13 HD1 TYR 13 -1.225 8.015 -8.579
71 HD2 TYR 13 HD2 TYR 13 -2.218 3.920 -9.165
72 HE1 TYR 13 HE1 TYR 13 -0.114 8.067 -10.772
73 HE2 TYR 13 HE2 TYR 13 -1.109 3.959 -11.360
74 HH TYR 13 HH TYR 13 -0.011 6.916 -12.811
75 H LYS 14 H LYS 14 -5.480 4.425 -7.360
76 HA LYS 14 HA LYS 14 -5.745 4.351 -4.458
77 HB2 LYS 14 1HB LYS 14 -7.573 5.820 -5.266
78 HB3 LYS 14 2HB LYS 14 -8.151 4.508 -6.285
79 HG2 LYS 14 1HG LYS 14 -9.017 3.341 -4.533
80 HG3 LYS 14 2HG LYS 14 -7.840 3.977 -3.382
81 HD2 LYS 14 1HD LYS 14 -9.013 6.218 -3.659
82 HD3 LYS 14 2HD LYS 14 -10.297 5.325 -4.478
83 HE2 LYS 14 1HE LYS 14 -11.049 5.396 -2.289
84 HE3 LYS 14 2HE LYS 14 -10.261 3.821 -2.371
85 HZ1 LYS 14 3HZ LYS 14 -8.257 4.890 -1.419
86 HZ2 LYS 14 1HZ LYS 14 -9.588 4.907 -0.375
87 HZ3 LYS 14 2HZ LYS 14 -9.147 6.313 -1.205
88 H CYS 15 H CYS 15 -5.446 2.324 -3.840
89 HA CYS 15 HA CYS 15 -5.414 0.154 -5.670
90 HB2 CYS 15 1HB CYS 15 -4.034 0.353 -3.561
91 HB3 CYS 15 2HB CYS 15 -5.493 -0.033 -2.656
92 H ASN 16 H ASN 16 -7.023 -1.092 -6.351
93 HA ASN 16 HA ASN 16 -9.663 -0.774 -5.191
94 HB2 ASN 16 1HB ASN 16 -10.507 -1.644 -7.161
95 HB3 ASN 16 2HB ASN 16 -9.004 -0.926 -7.732
96 HD21 ASN 16 1HD2 ASN 16 -7.092 -2.454 -7.650
97 HD22 ASN 16 2HD2 ASN 16 -7.377 -4.067 -8.198
98 H GLU 17 H GLU 17 -7.202 -2.455 -4.155
99 HA GLU 17 HA GLU 17 -8.586 -5.011 -3.793
100 HB2 GLU 17 1HB GLU 17 -5.752 -4.204 -3.112
101 HB3 GLU 17 2HB GLU 17 -6.429 -5.813 -2.898
102 HG2 GLU 17 1HG GLU 17 -6.322 -4.449 -5.568
103 HG3 GLU 17 2HG GLU 17 -5.003 -5.440 -4.948
104 H CYS 18 H CYS 18 -6.935 -2.514 -1.869
105 HA CYS 18 HA CYS 18 -8.473 -3.425 0.474
106 HB2 CYS 18 1HB CYS 18 -6.671 -2.317 1.825
107 HB3 CYS 18 2HB CYS 18 -6.127 -3.706 0.890
108 H GLY 19 H GLY 19 -7.365 -0.622 -1.357
109 HA2 GLY 19 1HA GLY 19 -9.034 1.163 -1.660
110 HA3 GLY 19 2HA GLY 19 -9.413 0.982 0.047
111 H LYS 20 H LYS 20 -6.106 0.797 -0.926
112 HA LYS 20 HA LYS 20 -5.400 3.020 0.712
113 HB2 LYS 20 1HB LYS 20 -3.895 1.160 -1.095
114 HB3 LYS 20 2HB LYS 20 -3.103 2.599 -0.465
115 HG2 LYS 20 1HG LYS 20 -4.497 0.724 1.395
116 HG3 LYS 20 2HG LYS 20 -2.878 0.351 0.798
117 HD2 LYS 20 1HD LYS 20 -1.981 2.338 1.749
118 HD3 LYS 20 2HD LYS 20 -3.590 2.969 2.107
119 HE2 LYS 20 1HE LYS 20 -3.943 1.193 3.731
120 HE3 LYS 20 2HE LYS 20 -2.369 0.502 3.343
121 HZ1 LYS 20 3HZ LYS 20 -1.766 3.061 3.962
122 HZ2 LYS 20 1HZ LYS 20 -1.645 1.751 5.026
123 HZ3 LYS 20 2HZ LYS 20 -3.025 2.729 5.042
124 H ALA 21 H ALA 21 -4.081 4.857 -0.059
125 HA ALA 21 HA ALA 21 -4.602 5.666 -2.820
126 HB1 ALA 21 3HB ALA 21 -6.478 6.576 -1.589
127 HB2 ALA 21 1HB ALA 21 -5.384 7.325 -0.426
128 HB3 ALA 21 2HB ALA 21 -5.406 7.879 -2.101
129 H PHE 22 H PHE 22 -2.744 6.303 -3.672
130 HA PHE 22 HA PHE 22 -0.715 7.493 -1.898
131 HB2 PHE 22 1HB PHE 22 -0.168 6.177 -4.557
132 HB3 PHE 22 2HB PHE 22 0.986 6.581 -3.290
133 HD1 PHE 22 HD2 PHE 22 -2.083 4.521 -3.790
134 HD2 PHE 22 HD1 PHE 22 1.722 4.894 -1.921
135 HE1 PHE 22 HE2 PHE 22 -2.325 2.258 -2.856
136 HE2 PHE 22 HE1 PHE 22 1.487 2.631 -0.984
137 HZ PHE 22 HZ PHE 22 -0.538 1.310 -1.451
138 H ARG 23 H ARG 23 0.981 8.672 -3.558
139 HA ARG 23 HA ARG 23 -0.662 10.664 -4.977
140 HB2 ARG 23 1HB ARG 23 1.991 11.001 -3.568
141 HB3 ARG 23 2HB ARG 23 1.206 12.252 -4.522
142 HG2 ARG 23 1HG ARG 23 0.544 12.841 -2.418
143 HG3 ARG 23 2HG ARG 23 -0.799 11.803 -2.900
144 HD2 ARG 23 1HD ARG 23 0.606 9.909 -1.827
145 HD3 ARG 23 2HD ARG 23 1.464 11.225 -1.028
146 HE ARG 23 HE ARG 23 -1.113 10.230 -0.370
147 HH11 ARG 23 1HH1 ARG 23 0.779 13.149 -0.505
148 HH12 ARG 23 2HH1 ARG 23 -0.122 13.946 0.742
149 HH21 ARG 23 1HH2 ARG 23 -2.307 11.268 1.273
150 HH22 ARG 23 2HH2 ARG 23 -1.877 12.875 1.753
151 H ALA 24 H ALA 24 2.041 8.502 -5.164
152 HA ALA 24 HA ALA 24 2.401 9.257 -7.988
153 HB1 ALA 24 3HB ALA 24 4.704 9.176 -7.860
154 HB2 ALA 24 1HB ALA 24 4.279 9.912 -6.315
155 HB3 ALA 24 2HB ALA 24 4.694 8.199 -6.392
156 H ARG 25 H ARG 25 3.965 7.351 -8.939
157 HA ARG 25 HA ARG 25 2.280 5.011 -8.834
158 HB2 ARG 25 1HB ARG 25 4.758 5.658 -10.436
159 HB3 ARG 25 2HB ARG 25 3.861 4.154 -10.589
160 HG2 ARG 25 1HG ARG 25 2.918 5.320 -12.290
161 HG3 ARG 25 2HG ARG 25 1.845 5.819 -10.981
162 HD2 ARG 25 1HD ARG 25 3.277 7.824 -10.652
163 HD3 ARG 25 2HD ARG 25 4.212 7.339 -12.066
164 HE ARG 25 HE ARG 25 1.711 8.678 -12.065
165 HH11 ARG 25 1HH1 ARG 25 3.570 6.296 -13.794
166 HH12 ARG 25 2HH1 ARG 25 2.788 6.596 -15.310
167 HH21 ARG 25 1HH2 ARG 25 0.674 9.082 -14.056
168 HH22 ARG 25 2HH2 ARG 25 1.141 8.182 -15.458
169 H SER 26 H SER 26 5.817 5.422 -8.571
170 HA SER 26 HA SER 26 6.525 2.975 -7.632
171 HB2 SER 26 1HB SER 26 8.001 5.040 -8.074
172 HB3 SER 26 2HB SER 26 7.696 5.457 -6.387
173 HG SER 26 HG SER 26 9.082 3.994 -5.820
174 H SER 27 H SER 27 4.776 5.433 -5.920
175 HA SER 27 HA SER 27 5.180 4.394 -3.297
176 HB2 SER 27 1HB SER 27 4.344 6.756 -4.066
177 HB3 SER 27 2HB SER 27 2.754 5.993 -4.043
178 HG SER 27 HG SER 27 3.686 5.268 -1.810
179 H LEU 28 H LEU 28 2.681 3.985 -5.760
180 HA LEU 28 HA LEU 28 1.013 2.343 -4.111
181 HB2 LEU 28 1HB LEU 28 -0.119 3.501 -5.792
182 HB3 LEU 28 2HB LEU 28 1.060 3.048 -7.022
183 HG LEU 28 HG LEU 28 0.147 0.632 -6.576
184 HD11 LEU 28 1HD1 LEU 28 -2.509 1.416 -6.266
185 HD12 LEU 28 2HD1 LEU 28 -1.623 2.277 -5.007
186 HD13 LEU 28 3HD1 LEU 28 -1.519 0.519 -5.114
187 HD21 LEU 28 3HD2 LEU 28 -0.872 0.839 -8.571
188 HD22 LEU 28 1HD2 LEU 28 -0.183 2.462 -8.540
189 HD23 LEU 28 2HD2 LEU 28 -1.857 2.205 -8.046
190 H ALA 29 H ALA 29 3.503 1.781 -6.529
191 HA ALA 29 HA ALA 29 3.125 -0.947 -6.967
192 HB1 ALA 29 3HB ALA 29 5.898 -0.487 -7.017
193 HB2 ALA 29 1HB ALA 29 4.778 -0.506 -8.379
194 HB3 ALA 29 2HB ALA 29 5.132 1.009 -7.549
195 H ILE 30 H ILE 30 5.431 0.585 -4.711
196 HA ILE 30 HA ILE 30 6.512 -1.565 -3.480
197 HB ILE 30 HB ILE 30 5.521 0.909 -2.056
198 HG12 ILE 30 1HG1 ILE 30 8.351 0.443 -2.919
199 HG13 ILE 30 2HG1 ILE 30 7.176 1.018 -4.097
200 HG21 ILE 30 1HG2 ILE 30 6.737 0.327 -0.215
201 HG22 ILE 30 2HG2 ILE 30 6.280 -1.279 -0.781
202 HG23 ILE 30 3HG2 ILE 30 7.884 -0.641 -1.140
203 HD11 ILE 30 3HD1 ILE 30 8.622 2.713 -2.786
204 HD12 ILE 30 1HD1 ILE 30 6.907 3.041 -3.034
205 HD13 ILE 30 2HD1 ILE 30 7.471 2.420 -1.482
206 H HIS 31 H HIS 31 3.267 -0.301 -2.962
207 HA HIS 31 HA HIS 31 2.687 -2.130 -0.815
208 HB2 HIS 31 1HB HIS 31 1.431 -0.204 -0.583
209 HB3 HIS 31 2HB HIS 31 1.162 -0.044 -2.316
210 HD1 HIS 31 HD1 HIS 31 0.191 -2.667 0.280
211 HD2 HIS 31 HD2 HIS 31 -1.439 -0.478 -2.853
212 HE1 HIS 31 HE1 HIS 31 -2.213 -3.391 0.134
213 H GLN 32 H GLN 32 1.842 -1.856 -4.245
214 HA GLN 32 HA GLN 32 0.053 -3.943 -4.478
215 HB2 GLN 32 1HB GLN 32 2.142 -2.943 -6.410
216 HB3 GLN 32 2HB GLN 32 0.949 -4.160 -6.843
217 HG2 GLN 32 1HG GLN 32 0.284 -1.399 -5.850
218 HG3 GLN 32 2HG GLN 32 0.346 -1.869 -7.548
219 HE21 GLN 32 1HE2 GLN 32 -1.926 -0.944 -7.171
220 HE22 GLN 32 2HE2 GLN 32 -3.154 -2.106 -6.815
221 H ALA 33 H ALA 33 3.365 -4.085 -3.692
222 HA ALA 33 HA ALA 33 3.785 -6.793 -4.604
223 HB1 ALA 33 3HB ALA 33 5.587 -5.036 -4.461
224 HB2 ALA 33 1HB ALA 33 5.527 -5.234 -2.709
225 HB3 ALA 33 2HB ALA 33 5.981 -6.594 -3.736
226 H THR 34 H THR 34 1.792 -5.796 -2.380
227 HA THR 34 HA THR 34 2.559 -7.799 -0.360
228 HB THR 34 HB THR 34 2.179 -5.302 0.280
229 HG1 THR 34 HG1 THR 34 2.344 -7.175 1.726
230 HG21 THR 34 3HG2 THR 34 -0.028 -5.211 -0.929
231 HG22 THR 34 1HG2 THR 34 -0.070 -4.657 0.744
232 HG23 THR 34 2HG2 THR 34 -0.680 -6.259 0.330
233 H HIS 35 H HIS 35 0.004 -6.681 -2.482
234 HA HIS 35 HA HIS 35 -2.003 -8.453 -1.504
235 HB2 HIS 35 1HB HIS 35 -1.708 -6.760 -3.967
236 HB3 HIS 35 2HB HIS 35 -3.035 -7.911 -3.831
237 HD1 HIS 35 HD1 HIS 35 -4.641 -7.521 -1.687
238 HD2 HIS 35 HD2 HIS 35 -2.156 -4.366 -2.752
239 HE1 HIS 35 HE1 HIS 35 -5.604 -5.493 -0.552
240 H SER 36 H SER 36 0.104 -8.508 -4.372
241 HA SER 36 HA SER 36 -0.672 -10.727 -5.680
242 HB2 SER 36 1HB SER 36 1.426 -9.227 -6.028
243 HB3 SER 36 2HB SER 36 2.252 -10.436 -5.045
244 HG SER 36 HG SER 36 2.477 -11.260 -7.013
245 H GLY 37 H GLY 37 -1.264 -12.672 -5.002
246 HA2 GLY 37 1HA GLY 37 -0.329 -14.823 -4.193
247 HA3 GLY 37 2HA GLY 37 0.298 -13.919 -2.823
248 H GLU 38 H GLU 38 -2.899 -13.647 -4.314
249 HA GLU 38 HA GLU 38 -4.981 -13.734 -3.383
250 HB2 GLU 38 1HB GLU 38 -3.744 -16.194 -2.135
251 HB3 GLU 38 2HB GLU 38 -5.466 -15.839 -2.139
252 HG2 GLU 38 1HG GLU 38 -5.629 -16.110 -4.462
253 HG3 GLU 38 2HG GLU 38 -3.881 -16.035 -4.676
254 H LYS 39 H LYS 39 -3.405 -11.923 -2.067
255 HA LYS 39 HA LYS 39 -4.008 -12.356 0.781
256 HB2 LYS 39 1HB LYS 39 -1.862 -10.882 -0.658
257 HB3 LYS 39 2HB LYS 39 -2.427 -10.202 0.863
258 HG2 LYS 39 1HG LYS 39 -1.777 -12.116 2.076
259 HG3 LYS 39 2HG LYS 39 -1.543 -13.061 0.603
260 HD2 LYS 39 1HD LYS 39 0.630 -12.516 1.170
261 HD3 LYS 39 2HD LYS 39 0.220 -11.231 0.032
262 HE2 LYS 39 1HE LYS 39 -0.376 -9.787 1.960
263 HE3 LYS 39 2HE LYS 39 0.177 -11.063 3.044
264 HZ1 LYS 39 3HZ LYS 39 2.004 -10.084 0.967
265 HZ2 LYS 39 1HZ LYS 39 2.353 -10.711 2.499
266 HZ3 LYS 39 2HZ LYS 39 1.762 -9.134 2.345
267 HA PRO 40 HA PRO 40 -7.140 -9.263 -0.602
268 HB2 PRO 40 1HB PRO 40 -9.115 -10.234 0.988
269 HB3 PRO 40 2HB PRO 40 -8.769 -10.883 -0.619
270 HG2 PRO 40 1HG PRO 40 -7.944 -11.926 2.063
271 HG3 PRO 40 2HG PRO 40 -8.551 -12.817 0.655
272 HD2 PRO 40 1HD PRO 40 -5.919 -12.695 1.277
273 HD3 PRO 40 2HD PRO 40 -6.500 -12.802 -0.397
274 H SER 41 H SER 41 -5.316 -9.826 2.081
275 HA SER 41 HA SER 41 -6.334 -8.768 4.304
276 HB2 SER 41 1HB SER 41 -3.850 -9.274 3.670
277 HB3 SER 41 2HB SER 41 -3.773 -7.547 3.321
278 HG SER 41 HG SER 41 -4.251 -7.101 5.430
279 H GLY 42 H GLY 42 -7.586 -7.094 4.768
280 HA2 GLY 42 1HA GLY 42 -6.995 -4.428 4.184
281 HA3 GLY 42 2HA GLY 42 -8.116 -4.993 2.954
282 HA PRO 43 HA PRO 43 -10.340 -5.138 7.280
283 HB2 PRO 43 1HB PRO 43 -9.246 -3.514 9.161
284 HB3 PRO 43 2HB PRO 43 -8.798 -5.215 8.981
285 HG2 PRO 43 1HG PRO 43 -7.386 -2.768 7.988
286 HG3 PRO 43 2HG PRO 43 -6.709 -4.218 8.753
287 HD2 PRO 43 1HD PRO 43 -6.651 -3.821 6.075
288 HD3 PRO 43 2HD PRO 43 -6.783 -5.437 6.798
289 H SER 44 H SER 44 -9.366 -2.719 5.270
290 HA SER 44 HA SER 44 -11.605 -1.012 6.093
291 HB2 SER 44 1HB SER 44 -8.779 -0.110 5.536
292 HB3 SER 44 2HB SER 44 -10.154 0.990 5.442
293 HG SER 44 HG SER 44 -9.808 1.201 7.507
294 H SER 45 H SER 45 -12.540 0.225 4.399
295 HA SER 45 HA SER 45 -11.879 -0.788 1.712
296 HB2 SER 45 1HB SER 45 -14.058 -1.579 2.359
297 HB3 SER 45 2HB SER 45 -14.545 0.034 2.881
298 HG SER 45 HG SER 45 -15.119 0.424 0.909
299 H GLY 46 H GLY 46 -13.559 1.995 3.197
300 HA2 GLY 46 1HA GLY 46 -13.271 4.257 2.852
301 HA3 GLY 46 2HA GLY 46 -11.803 3.886 1.959
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -21.657 8.913 7.010
2 HA2 GLY 1 1HA GLY 1 -22.651 10.199 5.371
3 HA3 GLY 1 2HA GLY 1 -22.960 11.430 6.587
4 H SER 2 H SER 2 -21.821 13.256 6.489
5 HA SER 2 HA SER 2 -20.180 13.892 4.349
6 HB2 SER 2 1HB SER 2 -20.448 15.143 7.083
7 HB3 SER 2 2HB SER 2 -19.424 15.835 5.826
8 HG SER 2 HG SER 2 -21.465 16.775 5.734
9 H SER 3 H SER 3 -18.076 13.663 3.893
10 HA SER 3 HA SER 3 -16.428 12.188 5.800
11 HB2 SER 3 1HB SER 3 -16.436 11.211 3.626
12 HB3 SER 3 2HB SER 3 -16.138 12.766 2.850
13 HG SER 3 HG SER 3 -14.075 12.760 3.919
14 H GLY 4 H GLY 4 -14.461 12.902 6.568
15 HA2 GLY 4 1HA GLY 4 -14.142 15.769 6.679
16 HA3 GLY 4 2HA GLY 4 -13.165 14.575 7.520
17 H SER 5 H SER 5 -13.832 15.295 4.090
18 HA SER 5 HA SER 5 -10.922 15.498 3.678
19 HB2 SER 5 1HB SER 5 -11.254 14.457 1.446
20 HB3 SER 5 2HB SER 5 -11.679 13.371 2.768
21 HG SER 5 HG SER 5 -13.539 14.955 1.324
22 H SER 6 H SER 6 -11.093 17.773 3.838
23 HA SER 6 HA SER 6 -12.643 19.107 1.734
24 HB2 SER 6 1HB SER 6 -12.268 21.170 3.015
25 HB3 SER 6 2HB SER 6 -12.984 19.921 4.033
26 HG SER 6 HG SER 6 -11.081 19.646 5.059
27 H GLY 7 H GLY 7 -11.178 18.497 0.045
28 HA2 GLY 7 1HA GLY 7 -9.571 19.155 -1.478
29 HA3 GLY 7 2HA GLY 7 -9.134 20.462 -0.387
30 H THR 8 H THR 8 -8.764 16.978 -0.910
31 HA THR 8 HA THR 8 -5.981 17.148 -0.148
32 HB THR 8 HB THR 8 -7.145 16.819 2.032
33 HG1 THR 8 HG1 THR 8 -5.010 15.771 1.270
34 HG21 THR 8 3HG2 THR 8 -8.976 15.383 0.947
35 HG22 THR 8 1HG2 THR 8 -8.378 14.886 2.529
36 HG23 THR 8 2HG2 THR 8 -7.826 14.052 1.077
37 H GLY 9 H GLY 9 -4.879 15.923 -1.526
38 HA2 GLY 9 1HA GLY 9 -4.359 14.281 -3.043
39 HA3 GLY 9 2HA GLY 9 -5.428 13.241 -2.113
40 H GLU 10 H GLU 10 -4.924 14.705 -5.075
41 HA GLU 10 HA GLU 10 -7.689 14.958 -5.852
42 HB2 GLU 10 1HB GLU 10 -5.160 15.035 -7.507
43 HB3 GLU 10 2HB GLU 10 -6.769 15.427 -8.099
44 HG2 GLU 10 1HG GLU 10 -6.005 17.517 -7.660
45 HG3 GLU 10 2HG GLU 10 -6.719 17.134 -6.095
46 H LYS 11 H LYS 11 -7.330 12.440 -4.871
47 HA LYS 11 HA LYS 11 -7.304 10.185 -5.371
48 HB2 LYS 11 1HB LYS 11 -9.117 9.629 -6.991
49 HB3 LYS 11 2HB LYS 11 -9.603 10.780 -5.754
50 HG2 LYS 11 1HG LYS 11 -9.236 12.612 -7.379
51 HG3 LYS 11 2HG LYS 11 -8.889 11.398 -8.613
52 HD2 LYS 11 1HD LYS 11 -11.462 11.494 -7.048
53 HD3 LYS 11 2HD LYS 11 -11.242 12.283 -8.612
54 HE2 LYS 11 1HE LYS 11 -10.852 10.195 -9.693
55 HE3 LYS 11 2HE LYS 11 -10.757 9.346 -8.151
56 HZ1 LYS 11 3HZ LYS 11 -12.886 8.972 -9.198
57 HZ2 LYS 11 1HZ LYS 11 -13.180 10.635 -9.288
58 HZ3 LYS 11 2HZ LYS 11 -13.100 9.871 -7.781
59 HA PRO 12 HA PRO 12 -4.536 10.747 -9.174
60 HB2 PRO 12 1HB PRO 12 -2.160 10.334 -7.927
61 HB3 PRO 12 2HB PRO 12 -2.886 11.936 -8.105
62 HG2 PRO 12 1HG PRO 12 -2.911 10.097 -5.743
63 HG3 PRO 12 2HG PRO 12 -2.653 11.851 -5.793
64 HD2 PRO 12 1HD PRO 12 -5.028 10.746 -5.105
65 HD3 PRO 12 2HD PRO 12 -4.908 12.304 -5.948
66 H TYR 13 H TYR 13 -3.951 8.584 -6.396
67 HA TYR 13 HA TYR 13 -4.157 6.291 -8.201
68 HB2 TYR 13 1HB TYR 13 -1.820 6.868 -6.381
69 HB3 TYR 13 2HB TYR 13 -2.158 5.264 -7.023
70 HD1 TYR 13 HD1 TYR 13 -1.033 8.656 -7.837
71 HD2 TYR 13 HD2 TYR 13 -1.802 4.762 -9.368
72 HE1 TYR 13 HE1 TYR 13 0.209 9.222 -9.883
73 HE2 TYR 13 HE2 TYR 13 -0.561 5.317 -11.418
74 HH TYR 13 HH TYR 13 -0.026 7.872 -12.609
75 H LYS 14 H LYS 14 -5.126 4.539 -7.315
76 HA LYS 14 HA LYS 14 -5.417 4.324 -4.430
77 HB2 LYS 14 1HB LYS 14 -7.327 5.745 -5.382
78 HB3 LYS 14 2HB LYS 14 -7.891 4.265 -6.148
79 HG2 LYS 14 1HG LYS 14 -8.198 3.209 -4.018
80 HG3 LYS 14 2HG LYS 14 -7.458 4.579 -3.186
81 HD2 LYS 14 1HD LYS 14 -9.279 6.021 -3.879
82 HD3 LYS 14 2HD LYS 14 -9.996 4.707 -4.814
83 HE2 LYS 14 1HE LYS 14 -11.225 4.723 -2.831
84 HE3 LYS 14 2HE LYS 14 -10.057 3.424 -2.595
85 HZ1 LYS 14 3HZ LYS 14 -9.114 5.992 -1.711
86 HZ2 LYS 14 1HZ LYS 14 -9.102 4.502 -0.910
87 HZ3 LYS 14 2HZ LYS 14 -10.490 5.467 -0.879
88 H CYS 15 H CYS 15 -5.824 2.244 -3.720
89 HA CYS 15 HA CYS 15 -5.407 0.165 -5.720
90 HB2 CYS 15 1HB CYS 15 -4.045 0.269 -3.608
91 HB3 CYS 15 2HB CYS 15 -5.509 -0.125 -2.714
92 H ASN 16 H ASN 16 -7.085 -0.841 -6.588
93 HA ASN 16 HA ASN 16 -9.679 -0.760 -5.282
94 HB2 ASN 16 1HB ASN 16 -10.607 -1.267 -7.342
95 HB3 ASN 16 2HB ASN 16 -9.143 -0.419 -7.829
96 HD21 ASN 16 1HD2 ASN 16 -7.215 -1.865 -8.162
97 HD22 ASN 16 2HD2 ASN 16 -7.498 -3.360 -8.982
98 H GLU 17 H GLU 17 -7.431 -2.423 -4.249
99 HA GLU 17 HA GLU 17 -8.696 -5.074 -4.463
100 HB2 GLU 17 1HB GLU 17 -5.850 -4.393 -3.702
101 HB3 GLU 17 2HB GLU 17 -6.525 -6.014 -3.788
102 HG2 GLU 17 1HG GLU 17 -6.657 -4.276 -6.198
103 HG3 GLU 17 2HG GLU 17 -5.120 -5.021 -5.761
104 H CYS 18 H CYS 18 -7.136 -2.818 -2.215
105 HA CYS 18 HA CYS 18 -8.554 -4.164 -0.009
106 HB2 CYS 18 1HB CYS 18 -6.761 -3.325 1.479
107 HB3 CYS 18 2HB CYS 18 -6.150 -4.415 0.239
108 H GLY 19 H GLY 19 -7.360 -1.029 -1.181
109 HA2 GLY 19 1HA GLY 19 -9.208 0.698 -1.212
110 HA3 GLY 19 2HA GLY 19 -9.427 0.272 0.479
111 H LYS 20 H LYS 20 -6.302 0.522 -1.098
112 HA LYS 20 HA LYS 20 -5.543 2.583 0.816
113 HB2 LYS 20 1HB LYS 20 -4.079 0.670 -0.940
114 HB3 LYS 20 2HB LYS 20 -3.261 2.158 -0.481
115 HG2 LYS 20 1HG LYS 20 -4.550 0.523 1.644
116 HG3 LYS 20 2HG LYS 20 -3.021 -0.022 0.952
117 HD2 LYS 20 1HD LYS 20 -2.251 1.277 2.677
118 HD3 LYS 20 2HD LYS 20 -2.317 2.478 1.386
119 HE2 LYS 20 1HE LYS 20 -4.125 3.546 2.287
120 HE3 LYS 20 2HE LYS 20 -4.750 2.081 3.043
121 HZ1 LYS 20 3HZ LYS 20 -3.857 3.776 4.614
122 HZ2 LYS 20 1HZ LYS 20 -2.315 3.490 3.981
123 HZ3 LYS 20 2HZ LYS 20 -3.150 2.247 4.766
124 H ALA 21 H ALA 21 -4.196 4.416 0.051
125 HA ALA 21 HA ALA 21 -4.696 5.258 -2.697
126 HB1 ALA 21 3HB ALA 21 -6.499 6.057 -0.911
127 HB2 ALA 21 1HB ALA 21 -5.285 7.308 -0.640
128 HB3 ALA 21 2HB ALA 21 -5.975 7.081 -2.248
129 H PHE 22 H PHE 22 -2.956 6.212 -3.535
130 HA PHE 22 HA PHE 22 -0.970 7.363 -1.687
131 HB2 PHE 22 1HB PHE 22 -0.290 6.016 -4.301
132 HB3 PHE 22 2HB PHE 22 0.811 6.495 -3.012
133 HD1 PHE 22 HD2 PHE 22 -2.202 4.340 -3.477
134 HD2 PHE 22 HD1 PHE 22 1.612 4.836 -1.654
135 HE1 PHE 22 HE2 PHE 22 -2.383 2.092 -2.494
136 HE2 PHE 22 HE1 PHE 22 1.438 2.588 -0.670
137 HZ PHE 22 HZ PHE 22 -0.562 1.213 -1.088
138 H ARG 23 H ARG 23 0.638 8.791 -2.984
139 HA ARG 23 HA ARG 23 -0.965 10.792 -4.331
140 HB2 ARG 23 1HB ARG 23 0.746 11.368 -2.596
141 HB3 ARG 23 2HB ARG 23 1.993 10.839 -3.717
142 HG2 ARG 23 1HG ARG 23 0.055 12.885 -4.649
143 HG3 ARG 23 2HG ARG 23 1.300 13.372 -3.498
144 HD2 ARG 23 1HD ARG 23 1.902 11.890 -6.048
145 HD3 ARG 23 2HD ARG 23 1.877 13.650 -5.941
146 HE ARG 23 HE ARG 23 3.580 12.360 -4.005
147 HH11 ARG 23 1HH1 ARG 23 3.352 13.710 -7.206
148 HH12 ARG 23 2HH1 ARG 23 5.052 14.016 -7.339
149 HH21 ARG 23 1HH2 ARG 23 5.820 12.758 -4.168
150 HH22 ARG 23 2HH2 ARG 23 6.455 13.473 -5.611
151 H ALA 24 H ALA 24 1.657 8.567 -5.094
152 HA ALA 24 HA ALA 24 1.165 9.072 -7.945
153 HB1 ALA 24 3HB ALA 24 3.160 10.327 -7.393
154 HB2 ALA 24 1HB ALA 24 3.889 8.897 -6.662
155 HB3 ALA 24 2HB ALA 24 3.582 8.941 -8.399
156 H ARG 25 H ARG 25 2.217 7.320 -9.315
157 HA ARG 25 HA ARG 25 1.214 4.815 -8.536
158 HB2 ARG 25 1HB ARG 25 1.711 5.733 -10.900
159 HB3 ARG 25 2HB ARG 25 3.349 5.155 -10.626
160 HG2 ARG 25 1HG ARG 25 2.504 2.891 -10.293
161 HG3 ARG 25 2HG ARG 25 0.856 3.468 -10.552
162 HD2 ARG 25 1HD ARG 25 1.681 2.469 -12.585
163 HD3 ARG 25 2HD ARG 25 1.511 4.209 -12.816
164 HE ARG 25 HE ARG 25 4.101 3.920 -12.075
165 HH11 ARG 25 1HH1 ARG 25 2.123 2.456 -14.538
166 HH12 ARG 25 2HH1 ARG 25 3.441 2.214 -15.636
167 HH21 ARG 25 1HH2 ARG 25 5.844 3.607 -13.513
168 HH22 ARG 25 2HH2 ARG 25 5.557 2.868 -15.052
169 H SER 26 H SER 26 4.609 5.836 -8.950
170 HA SER 26 HA SER 26 5.969 3.642 -8.180
171 HB2 SER 26 1HB SER 26 6.465 6.543 -7.576
172 HB3 SER 26 2HB SER 26 7.569 5.308 -6.973
173 HG SER 26 HG SER 26 8.079 4.747 -9.030
174 H SER 27 H SER 27 4.191 5.803 -6.052
175 HA SER 27 HA SER 27 5.098 4.612 -3.623
176 HB2 SER 27 1HB SER 27 4.121 6.949 -3.896
177 HB3 SER 27 2HB SER 27 2.539 6.176 -3.985
178 HG SER 27 HG SER 27 4.362 6.219 -1.826
179 H LEU 28 H LEU 28 2.300 4.161 -5.718
180 HA LEU 28 HA LEU 28 0.885 2.410 -3.998
181 HB2 LEU 28 1HB LEU 28 -0.304 3.504 -5.739
182 HB3 LEU 28 2HB LEU 28 0.788 2.872 -6.969
183 HG LEU 28 HG LEU 28 -0.117 0.559 -6.272
184 HD11 LEU 28 1HD1 LEU 28 -1.735 2.346 -4.643
185 HD12 LEU 28 2HD1 LEU 28 -1.504 0.602 -4.528
186 HD13 LEU 28 3HD1 LEU 28 -2.701 1.260 -5.643
187 HD21 LEU 28 3HD2 LEU 28 -0.634 1.298 -8.420
188 HD22 LEU 28 1HD2 LEU 28 -1.601 2.649 -7.827
189 HD23 LEU 28 2HD2 LEU 28 -2.214 1.000 -7.694
190 H ALA 29 H ALA 29 3.282 1.906 -6.532
191 HA ALA 29 HA ALA 29 3.108 -0.822 -6.903
192 HB1 ALA 29 3HB ALA 29 4.604 0.131 -8.340
193 HB2 ALA 29 1HB ALA 29 5.326 1.148 -7.092
194 HB3 ALA 29 2HB ALA 29 5.722 -0.570 -7.169
195 H ILE 30 H ILE 30 5.255 0.836 -4.582
196 HA ILE 30 HA ILE 30 6.422 -1.254 -3.321
197 HB ILE 30 HB ILE 30 5.259 1.156 -1.919
198 HG12 ILE 30 1HG1 ILE 30 8.135 0.903 -2.676
199 HG13 ILE 30 2HG1 ILE 30 6.978 1.319 -3.936
200 HG21 ILE 30 1HG2 ILE 30 6.253 -1.063 -0.723
201 HG22 ILE 30 2HG2 ILE 30 7.714 -0.094 -0.903
202 HG23 ILE 30 3HG2 ILE 30 6.326 0.559 -0.033
203 HD11 ILE 30 3HD1 ILE 30 7.882 2.885 -1.592
204 HD12 ILE 30 1HD1 ILE 30 7.564 3.399 -3.249
205 HD13 ILE 30 2HD1 ILE 30 6.221 3.103 -2.143
206 H HIS 31 H HIS 31 3.108 -0.144 -2.860
207 HA HIS 31 HA HIS 31 2.543 -1.941 -0.708
208 HB2 HIS 31 1HB HIS 31 1.145 -0.080 -0.706
209 HB3 HIS 31 2HB HIS 31 0.901 -0.135 -2.449
210 HD1 HIS 31 HD1 HIS 31 -0.014 -2.242 0.587
211 HD2 HIS 31 HD2 HIS 31 -1.492 -1.180 -3.148
212 HE1 HIS 31 HE1 HIS 31 -2.298 -3.286 0.446
213 H GLN 32 H GLN 32 2.052 -1.982 -4.201
214 HA GLN 32 HA GLN 32 0.398 -4.181 -4.455
215 HB2 GLN 32 1HB GLN 32 2.685 -3.361 -6.254
216 HB3 GLN 32 2HB GLN 32 1.403 -4.482 -6.696
217 HG2 GLN 32 1HG GLN 32 0.958 -1.610 -5.918
218 HG3 GLN 32 2HG GLN 32 1.091 -2.191 -7.577
219 HE21 GLN 32 1HE2 GLN 32 -1.085 -1.100 -5.587
220 HE22 GLN 32 2HE2 GLN 32 -2.450 -2.085 -5.973
221 H ALA 33 H ALA 33 3.569 -4.066 -3.252
222 HA ALA 33 HA ALA 33 4.284 -6.779 -3.924
223 HB1 ALA 33 3HB ALA 33 5.890 -4.820 -3.559
224 HB2 ALA 33 1HB ALA 33 5.637 -5.102 -1.836
225 HB3 ALA 33 2HB ALA 33 6.320 -6.376 -2.848
226 H THR 34 H THR 34 1.949 -5.757 -2.028
227 HA THR 34 HA THR 34 2.510 -7.634 0.169
228 HB THR 34 HB THR 34 1.899 -5.135 0.603
229 HG1 THR 34 HG1 THR 34 1.050 -5.790 2.557
230 HG21 THR 34 3HG2 THR 34 -0.500 -4.731 0.823
231 HG22 THR 34 1HG2 THR 34 -0.841 -6.330 0.163
232 HG23 THR 34 2HG2 THR 34 -0.081 -5.102 -0.849
233 H HIS 35 H HIS 35 0.392 -6.916 -2.480
234 HA HIS 35 HA HIS 35 -1.678 -8.746 -1.662
235 HB2 HIS 35 1HB HIS 35 -1.169 -7.101 -4.124
236 HB3 HIS 35 2HB HIS 35 -2.422 -8.338 -4.116
237 HD1 HIS 35 HD1 HIS 35 -4.309 -7.999 -2.194
238 HD2 HIS 35 HD2 HIS 35 -1.941 -4.706 -3.094
239 HE1 HIS 35 HE1 HIS 35 -5.548 -6.011 -1.280
240 H SER 36 H SER 36 0.688 -10.097 -1.587
241 HA SER 36 HA SER 36 1.721 -11.401 -3.712
242 HB2 SER 36 1HB SER 36 1.003 -12.454 -0.982
243 HB3 SER 36 2HB SER 36 1.814 -13.471 -2.173
244 HG SER 36 HG SER 36 3.306 -11.507 -2.278
245 H GLY 37 H GLY 37 0.844 -12.366 -5.412
246 HA2 GLY 37 1HA GLY 37 -1.335 -14.271 -5.013
247 HA3 GLY 37 2HA GLY 37 -1.656 -12.912 -6.080
248 H GLU 38 H GLU 38 1.058 -15.179 -5.594
249 HA GLU 38 HA GLU 38 1.266 -15.430 -8.506
250 HB2 GLU 38 1HB GLU 38 3.256 -14.857 -6.956
251 HB3 GLU 38 2HB GLU 38 3.225 -16.562 -6.527
252 HG2 GLU 38 1HG GLU 38 3.830 -17.241 -8.662
253 HG3 GLU 38 2HG GLU 38 3.350 -15.709 -9.390
254 H LYS 39 H LYS 39 0.288 -17.144 -5.702
255 HA LYS 39 HA LYS 39 0.206 -19.669 -7.214
256 HB2 LYS 39 1HB LYS 39 0.317 -19.103 -4.257
257 HB3 LYS 39 2HB LYS 39 -0.165 -20.674 -4.884
258 HG2 LYS 39 1HG LYS 39 2.418 -19.418 -5.721
259 HG3 LYS 39 2HG LYS 39 2.286 -20.306 -4.201
260 HD2 LYS 39 1HD LYS 39 1.582 -22.295 -5.376
261 HD3 LYS 39 2HD LYS 39 1.547 -21.418 -6.908
262 HE2 LYS 39 1HE LYS 39 3.570 -22.653 -6.879
263 HE3 LYS 39 2HE LYS 39 4.003 -20.971 -6.577
264 HZ1 LYS 39 3HZ LYS 39 4.224 -23.277 -4.838
265 HZ2 LYS 39 1HZ LYS 39 3.656 -21.870 -4.089
266 HZ3 LYS 39 2HZ LYS 39 5.149 -21.862 -4.884
267 HA PRO 40 HA PRO 40 -4.181 -18.255 -7.021
268 HB2 PRO 40 1HB PRO 40 -4.810 -19.176 -9.496
269 HB3 PRO 40 2HB PRO 40 -4.087 -17.587 -9.217
270 HG2 PRO 40 1HG PRO 40 -2.779 -20.140 -10.074
271 HG3 PRO 40 2HG PRO 40 -2.524 -18.493 -10.681
272 HD2 PRO 40 1HD PRO 40 -0.839 -19.675 -8.922
273 HD3 PRO 40 2HD PRO 40 -1.142 -17.926 -8.925
274 H SER 41 H SER 41 -2.536 -21.156 -7.019
275 HA SER 41 HA SER 41 -4.853 -22.878 -7.291
276 HB2 SER 41 1HB SER 41 -2.005 -23.541 -6.503
277 HB3 SER 41 2HB SER 41 -3.269 -24.713 -6.873
278 HG SER 41 HG SER 41 -3.286 -24.007 -8.983
279 H GLY 42 H GLY 42 -6.163 -22.146 -5.573
280 HA2 GLY 42 1HA GLY 42 -5.869 -23.553 -3.156
281 HA3 GLY 42 2HA GLY 42 -5.340 -21.896 -2.901
282 HA PRO 43 HA PRO 43 -10.082 -21.898 -4.007
283 HB2 PRO 43 1HB PRO 43 -11.345 -24.241 -3.474
284 HB3 PRO 43 2HB PRO 43 -10.664 -23.856 -5.059
285 HG2 PRO 43 1HG PRO 43 -9.516 -25.532 -2.861
286 HG3 PRO 43 2HG PRO 43 -9.540 -25.841 -4.607
287 HD2 PRO 43 1HD PRO 43 -7.355 -24.882 -3.327
288 HD3 PRO 43 2HD PRO 43 -7.746 -24.451 -5.005
289 H SER 44 H SER 44 -10.021 -20.588 -2.152
290 HA SER 44 HA SER 44 -10.386 -21.844 0.451
291 HB2 SER 44 1HB SER 44 -10.115 -18.925 -0.309
292 HB3 SER 44 2HB SER 44 -10.181 -19.547 1.340
293 HG SER 44 HG SER 44 -8.093 -19.672 1.116
294 H SER 45 H SER 45 -12.509 -22.393 -1.162
295 HA SER 45 HA SER 45 -14.643 -20.652 -1.253
296 HB2 SER 45 1HB SER 45 -14.669 -23.644 -0.798
297 HB3 SER 45 2HB SER 45 -16.091 -22.691 -1.219
298 HG SER 45 HG SER 45 -14.685 -21.987 -3.078
299 H GLY 46 H GLY 46 -16.678 -20.751 0.061
300 HA2 GLY 46 1HA GLY 46 -16.443 -21.527 2.827
301 HA3 GLY 46 2HA GLY 46 -16.379 -19.788 2.584
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -24.212 4.487 -4.372
2 HA2 GLY 1 1HA GLY 1 -24.430 2.410 -5.398
3 HA3 GLY 1 2HA GLY 1 -26.120 2.380 -4.917
4 H SER 2 H SER 2 -27.349 4.352 -6.067
5 HA SER 2 HA SER 2 -27.058 3.789 -8.907
6 HB2 SER 2 1HB SER 2 -29.282 3.783 -7.590
7 HB3 SER 2 2HB SER 2 -29.185 5.541 -7.692
8 HG SER 2 HG SER 2 -29.765 5.428 -9.705
9 H SER 3 H SER 3 -27.479 6.707 -6.897
10 HA SER 3 HA SER 3 -27.118 8.687 -8.696
11 HB2 SER 3 1HB SER 3 -27.481 9.286 -6.421
12 HB3 SER 3 2HB SER 3 -26.009 8.468 -5.896
13 HG SER 3 HG SER 3 -26.065 10.718 -7.624
14 H GLY 4 H GLY 4 -25.377 9.847 -9.588
15 HA2 GLY 4 1HA GLY 4 -22.787 8.430 -9.548
16 HA3 GLY 4 2HA GLY 4 -23.504 8.983 -11.054
17 H SER 5 H SER 5 -23.354 10.645 -7.928
18 HA SER 5 HA SER 5 -22.481 13.067 -9.164
19 HB2 SER 5 1HB SER 5 -23.894 13.191 -7.205
20 HB3 SER 5 2HB SER 5 -22.726 12.275 -6.253
21 HG SER 5 HG SER 5 -22.705 14.644 -6.018
22 H SER 6 H SER 6 -20.481 13.375 -9.867
23 HA SER 6 HA SER 6 -18.254 12.070 -8.465
24 HB2 SER 6 1HB SER 6 -18.475 11.623 -10.895
25 HB3 SER 6 2HB SER 6 -18.291 13.348 -11.211
26 HG SER 6 HG SER 6 -16.396 11.471 -10.681
27 H GLY 7 H GLY 7 -18.122 13.572 -6.749
28 HA2 GLY 7 1HA GLY 7 -16.426 15.809 -7.305
29 HA3 GLY 7 2HA GLY 7 -18.050 16.315 -6.862
30 H THR 8 H THR 8 -15.799 13.803 -5.703
31 HA THR 8 HA THR 8 -15.672 15.073 -3.099
32 HB THR 8 HB THR 8 -16.306 12.892 -1.953
33 HG1 THR 8 HG1 THR 8 -17.832 12.322 -4.248
34 HG21 THR 8 3HG2 THR 8 -18.616 14.119 -3.434
35 HG22 THR 8 1HG2 THR 8 -17.739 15.004 -2.187
36 HG23 THR 8 2HG2 THR 8 -18.570 13.502 -1.783
37 H GLY 9 H GLY 9 -13.532 15.119 -2.825
38 HA2 GLY 9 1HA GLY 9 -11.402 14.333 -2.439
39 HA3 GLY 9 2HA GLY 9 -12.055 12.703 -2.505
40 H GLU 10 H GLU 10 -9.697 14.347 -3.763
41 HA GLU 10 HA GLU 10 -9.995 13.131 -6.427
42 HB2 GLU 10 1HB GLU 10 -8.955 15.866 -5.719
43 HB3 GLU 10 2HB GLU 10 -8.521 15.075 -7.228
44 HG2 GLU 10 1HG GLU 10 -11.378 15.469 -6.412
45 HG3 GLU 10 2HG GLU 10 -10.467 16.713 -7.265
46 H LYS 11 H LYS 11 -8.722 11.375 -6.156
47 HA LYS 11 HA LYS 11 -5.948 11.845 -5.274
48 HB2 LYS 11 1HB LYS 11 -5.916 9.448 -4.619
49 HB3 LYS 11 2HB LYS 11 -7.078 10.401 -3.706
50 HG2 LYS 11 1HG LYS 11 -8.737 9.566 -5.561
51 HG3 LYS 11 2HG LYS 11 -7.539 8.281 -5.739
52 HD2 LYS 11 1HD LYS 11 -8.941 7.373 -4.153
53 HD3 LYS 11 2HD LYS 11 -7.729 8.150 -3.132
54 HE2 LYS 11 1HE LYS 11 -9.296 10.182 -3.165
55 HE3 LYS 11 2HE LYS 11 -10.516 9.064 -3.774
56 HZ1 LYS 11 3HZ LYS 11 -10.916 8.600 -1.652
57 HZ2 LYS 11 1HZ LYS 11 -9.518 9.388 -1.116
58 HZ3 LYS 11 2HZ LYS 11 -9.438 7.777 -1.624
59 HA PRO 12 HA PRO 12 -4.622 10.635 -9.294
60 HB2 PRO 12 1HB PRO 12 -2.094 9.847 -8.695
61 HB3 PRO 12 2HB PRO 12 -2.588 11.543 -8.732
62 HG2 PRO 12 1HG PRO 12 -2.271 9.714 -6.384
63 HG3 PRO 12 2HG PRO 12 -1.771 11.407 -6.559
64 HD2 PRO 12 1HD PRO 12 -4.022 10.681 -5.240
65 HD3 PRO 12 2HD PRO 12 -3.891 12.208 -6.137
66 H TYR 13 H TYR 13 -3.611 8.385 -6.711
67 HA TYR 13 HA TYR 13 -4.347 6.159 -8.497
68 HB2 TYR 13 1HB TYR 13 -2.185 6.188 -6.381
69 HB3 TYR 13 2HB TYR 13 -2.610 4.817 -7.399
70 HD1 TYR 13 HD2 TYR 13 -2.468 5.263 -9.987
71 HD2 TYR 13 HD1 TYR 13 -0.450 7.573 -7.039
72 HE1 TYR 13 HE2 TYR 13 -0.863 6.021 -11.689
73 HE2 TYR 13 HE1 TYR 13 1.160 8.339 -8.732
74 HH TYR 13 HH TYR 13 1.189 7.009 -11.974
75 H LYS 14 H LYS 14 -4.851 4.113 -7.261
76 HA LYS 14 HA LYS 14 -5.734 4.283 -4.563
77 HB2 LYS 14 1HB LYS 14 -7.551 5.577 -5.474
78 HB3 LYS 14 2HB LYS 14 -7.824 4.389 -6.742
79 HG2 LYS 14 1HG LYS 14 -8.639 2.791 -5.172
80 HG3 LYS 14 2HG LYS 14 -8.159 3.805 -3.809
81 HD2 LYS 14 1HD LYS 14 -9.741 5.558 -4.902
82 HD3 LYS 14 2HD LYS 14 -10.424 4.159 -5.734
83 HE2 LYS 14 1HE LYS 14 -10.723 3.084 -3.493
84 HE3 LYS 14 2HE LYS 14 -10.236 4.612 -2.760
85 HZ1 LYS 14 3HZ LYS 14 -12.233 5.493 -3.128
86 HZ2 LYS 14 1HZ LYS 14 -12.771 3.917 -3.426
87 HZ3 LYS 14 2HZ LYS 14 -12.314 4.912 -4.715
88 H CYS 15 H CYS 15 -5.564 2.299 -3.761
89 HA CYS 15 HA CYS 15 -5.095 0.052 -5.444
90 HB2 CYS 15 1HB CYS 15 -4.132 0.451 -3.122
91 HB3 CYS 15 2HB CYS 15 -5.700 -0.039 -2.489
92 H ASN 16 H ASN 16 -6.330 -1.853 -5.650
93 HA ASN 16 HA ASN 16 -9.215 -1.416 -5.293
94 HB2 ASN 16 1HB ASN 16 -8.096 -3.571 -7.048
95 HB3 ASN 16 2HB ASN 16 -9.611 -2.685 -7.198
96 HD21 ASN 16 1HD2 ASN 16 -6.116 -2.384 -7.490
97 HD22 ASN 16 2HD2 ASN 16 -6.141 -1.131 -8.680
98 H GLU 17 H GLU 17 -6.634 -3.101 -4.006
99 HA GLU 17 HA GLU 17 -8.114 -5.490 -3.292
100 HB2 GLU 17 1HB GLU 17 -5.349 -4.554 -2.504
101 HB3 GLU 17 2HB GLU 17 -6.041 -6.114 -2.081
102 HG2 GLU 17 1HG GLU 17 -5.911 -5.321 -4.947
103 HG3 GLU 17 2HG GLU 17 -4.443 -5.861 -4.133
104 H CYS 18 H CYS 18 -6.787 -2.631 -1.670
105 HA CYS 18 HA CYS 18 -8.484 -3.265 0.655
106 HB2 CYS 18 1HB CYS 18 -6.840 -2.001 2.025
107 HB3 CYS 18 2HB CYS 18 -6.150 -3.438 1.277
108 H GLY 19 H GLY 19 -7.032 -0.618 -1.222
109 HA2 GLY 19 1HA GLY 19 -8.635 1.085 -2.036
110 HA3 GLY 19 2HA GLY 19 -9.335 1.055 -0.424
111 H LYS 20 H LYS 20 -5.892 0.877 -0.832
112 HA LYS 20 HA LYS 20 -5.589 3.368 0.614
113 HB2 LYS 20 1HB LYS 20 -4.238 1.128 0.877
114 HB3 LYS 20 2HB LYS 20 -3.277 1.786 -0.440
115 HG2 LYS 20 1HG LYS 20 -3.804 3.225 2.150
116 HG3 LYS 20 2HG LYS 20 -2.368 2.254 1.821
117 HD2 LYS 20 1HD LYS 20 -1.713 3.717 0.036
118 HD3 LYS 20 2HD LYS 20 -3.233 4.608 0.146
119 HE2 LYS 20 1HE LYS 20 -1.312 4.418 2.450
120 HE3 LYS 20 2HE LYS 20 -1.174 5.668 1.215
121 HZ1 LYS 20 3HZ LYS 20 -2.919 5.551 3.440
122 HZ2 LYS 20 1HZ LYS 20 -3.819 5.662 2.011
123 HZ3 LYS 20 2HZ LYS 20 -2.648 6.830 2.366
124 H ALA 21 H ALA 21 -5.426 5.260 -0.374
125 HA ALA 21 HA ALA 21 -4.636 5.350 -3.190
126 HB1 ALA 21 3HB ALA 21 -6.003 7.344 -1.400
127 HB2 ALA 21 1HB ALA 21 -5.449 7.733 -3.029
128 HB3 ALA 21 2HB ALA 21 -6.673 6.486 -2.788
129 H PHE 22 H PHE 22 -2.720 6.094 -3.835
130 HA PHE 22 HA PHE 22 -0.982 7.355 -1.826
131 HB2 PHE 22 1HB PHE 22 -0.131 6.039 -4.409
132 HB3 PHE 22 2HB PHE 22 0.902 6.531 -3.071
133 HD1 PHE 22 HD2 PHE 22 -1.774 4.167 -4.045
134 HD2 PHE 22 HD1 PHE 22 1.334 5.081 -1.285
135 HE1 PHE 22 HE2 PHE 22 -1.998 1.925 -3.056
136 HE2 PHE 22 HE1 PHE 22 1.116 2.841 -0.292
137 HZ PHE 22 HZ PHE 22 -0.552 1.260 -1.177
138 H ARG 23 H ARG 23 0.886 8.597 -3.227
139 HA ARG 23 HA ARG 23 -0.607 10.639 -4.728
140 HB2 ARG 23 1HB ARG 23 0.515 11.374 -2.631
141 HB3 ARG 23 2HB ARG 23 2.060 10.909 -3.331
142 HG2 ARG 23 1HG ARG 23 2.066 13.139 -3.790
143 HG3 ARG 23 2HG ARG 23 1.300 12.529 -5.258
144 HD2 ARG 23 1HD ARG 23 -0.868 13.108 -4.459
145 HD3 ARG 23 2HD ARG 23 -0.245 13.462 -2.848
146 HE ARG 23 HE ARG 23 1.038 15.132 -4.698
147 HH11 ARG 23 1HH1 ARG 23 -2.106 14.626 -3.290
148 HH12 ARG 23 2HH1 ARG 23 -2.588 16.282 -3.449
149 HH21 ARG 23 1HH2 ARG 23 0.415 17.316 -4.913
150 HH22 ARG 23 2HH2 ARG 23 -1.154 17.811 -4.373
151 H ALA 24 H ALA 24 2.122 8.470 -4.818
152 HA ALA 24 HA ALA 24 2.570 9.234 -7.628
153 HB1 ALA 24 3HB ALA 24 4.394 9.984 -6.054
154 HB2 ALA 24 1HB ALA 24 4.753 8.277 -5.793
155 HB3 ALA 24 2HB ALA 24 4.912 8.976 -7.405
156 H ARG 25 H ARG 25 3.489 7.505 -8.964
157 HA ARG 25 HA ARG 25 2.047 5.113 -8.732
158 HB2 ARG 25 1HB ARG 25 3.156 6.204 -10.806
159 HB3 ARG 25 2HB ARG 25 4.593 5.319 -10.312
160 HG2 ARG 25 1HG ARG 25 3.622 3.892 -11.839
161 HG3 ARG 25 2HG ARG 25 3.031 3.260 -10.301
162 HD2 ARG 25 1HD ARG 25 1.115 3.314 -11.608
163 HD3 ARG 25 2HD ARG 25 1.013 4.820 -10.698
164 HE ARG 25 HE ARG 25 2.248 5.623 -12.928
165 HH11 ARG 25 1HH1 ARG 25 -0.570 3.636 -12.447
166 HH12 ARG 25 2HH1 ARG 25 -1.325 4.121 -13.929
167 HH21 ARG 25 1HH2 ARG 25 1.264 6.269 -14.881
168 HH22 ARG 25 2HH2 ARG 25 -0.280 5.618 -15.313
169 H SER 26 H SER 26 5.545 5.667 -8.307
170 HA SER 26 HA SER 26 6.360 3.166 -7.578
171 HB2 SER 26 1HB SER 26 7.665 5.444 -7.736
172 HB3 SER 26 2HB SER 26 7.388 5.494 -5.995
173 HG SER 26 HG SER 26 8.484 3.553 -5.792
174 H SER 27 H SER 27 4.705 5.541 -5.571
175 HA SER 27 HA SER 27 4.970 4.172 -3.115
176 HB2 SER 27 1HB SER 27 3.079 6.285 -4.123
177 HB3 SER 27 2HB SER 27 2.875 5.575 -2.521
178 HG SER 27 HG SER 27 4.208 7.192 -2.085
179 H LEU 28 H LEU 28 2.592 4.014 -5.703
180 HA LEU 28 HA LEU 28 0.786 2.312 -4.275
181 HB2 LEU 28 1HB LEU 28 -0.097 3.692 -6.005
182 HB3 LEU 28 2HB LEU 28 1.046 3.048 -7.182
183 HG LEU 28 HG LEU 28 -0.174 0.791 -6.729
184 HD11 LEU 28 1HD1 LEU 28 -2.680 1.423 -6.369
185 HD12 LEU 28 2HD1 LEU 28 -2.004 2.815 -5.524
186 HD13 LEU 28 3HD1 LEU 28 -1.616 1.182 -4.983
187 HD21 LEU 28 3HD2 LEU 28 -2.045 2.431 -8.221
188 HD22 LEU 28 1HD2 LEU 28 -1.003 1.119 -8.770
189 HD23 LEU 28 2HD2 LEU 28 -0.368 2.761 -8.659
190 H ALA 29 H ALA 29 3.371 1.831 -6.627
191 HA ALA 29 HA ALA 29 2.959 -0.885 -7.160
192 HB1 ALA 29 3HB ALA 29 5.724 -0.473 -7.237
193 HB2 ALA 29 1HB ALA 29 4.586 -0.376 -8.581
194 HB3 ALA 29 2HB ALA 29 4.999 1.076 -7.668
195 H ILE 30 H ILE 30 5.458 0.480 -5.005
196 HA ILE 30 HA ILE 30 6.423 -1.725 -3.809
197 HB ILE 30 HB ILE 30 5.662 0.805 -2.345
198 HG12 ILE 30 1HG1 ILE 30 8.421 0.144 -3.301
199 HG13 ILE 30 2HG1 ILE 30 7.249 0.788 -4.446
200 HG21 ILE 30 1HG2 ILE 30 6.411 -1.519 -1.181
201 HG22 ILE 30 2HG2 ILE 30 7.982 -0.768 -1.460
202 HG23 ILE 30 3HG2 ILE 30 6.755 0.078 -0.517
203 HD11 ILE 30 3HD1 ILE 30 8.176 2.730 -3.761
204 HD12 ILE 30 1HD1 ILE 30 6.937 2.581 -2.516
205 HD13 ILE 30 2HD1 ILE 30 8.598 2.099 -2.169
206 H HIS 31 H HIS 31 3.319 -0.214 -3.073
207 HA HIS 31 HA HIS 31 2.703 -1.987 -0.913
208 HB2 HIS 31 1HB HIS 31 1.628 0.114 -0.824
209 HB3 HIS 31 2HB HIS 31 1.094 0.005 -2.499
210 HD1 HIS 31 HD1 HIS 31 0.523 -2.086 0.641
211 HD2 HIS 31 HD2 HIS 31 -1.545 -0.508 -2.598
212 HE1 HIS 31 HE1 HIS 31 -1.872 -2.780 0.970
213 H GLN 32 H GLN 32 1.578 -1.708 -4.278
214 HA GLN 32 HA GLN 32 -0.228 -3.770 -4.367
215 HB2 GLN 32 1HB GLN 32 1.742 -2.850 -6.459
216 HB3 GLN 32 2HB GLN 32 0.481 -4.031 -6.786
217 HG2 GLN 32 1HG GLN 32 -0.204 -1.364 -5.627
218 HG3 GLN 32 2HG GLN 32 0.073 -1.551 -7.358
219 HE21 GLN 32 1HE2 GLN 32 -2.324 -0.685 -6.668
220 HE22 GLN 32 2HE2 GLN 32 -3.523 -1.919 -6.828
221 H ALA 33 H ALA 33 3.146 -3.976 -3.864
222 HA ALA 33 HA ALA 33 3.436 -6.700 -4.759
223 HB1 ALA 33 3HB ALA 33 5.679 -6.496 -3.602
224 HB2 ALA 33 1HB ALA 33 5.381 -5.376 -4.932
225 HB3 ALA 33 2HB ALA 33 5.245 -4.821 -3.263
226 H THR 34 H THR 34 1.569 -5.717 -2.465
227 HA THR 34 HA THR 34 2.444 -7.708 -0.474
228 HB THR 34 HB THR 34 1.143 -6.490 1.198
229 HG1 THR 34 HG1 THR 34 0.164 -4.512 0.634
230 HG21 THR 34 3HG2 THR 34 3.562 -5.835 0.450
231 HG22 THR 34 1HG2 THR 34 2.677 -4.801 1.571
232 HG23 THR 34 2HG2 THR 34 2.775 -4.370 -0.136
233 H HIS 35 H HIS 35 -0.107 -6.659 -2.576
234 HA HIS 35 HA HIS 35 -2.048 -8.489 -1.423
235 HB2 HIS 35 1HB HIS 35 -2.166 -6.563 -3.744
236 HB3 HIS 35 2HB HIS 35 -3.490 -7.649 -3.334
237 HD1 HIS 35 HD1 HIS 35 -4.391 -7.322 -0.756
238 HD2 HIS 35 HD2 HIS 35 -2.278 -4.179 -2.464
239 HE1 HIS 35 HE1 HIS 35 -4.956 -5.301 0.629
240 H SER 36 H SER 36 -0.890 -7.976 -4.758
241 HA SER 36 HA SER 36 -1.493 -10.721 -5.428
242 HB2 SER 36 1HB SER 36 -0.848 -10.110 -7.694
243 HB3 SER 36 2HB SER 36 -1.907 -8.866 -7.030
244 HG SER 36 HG SER 36 0.360 -7.975 -6.375
245 H GLY 37 H GLY 37 0.092 -12.145 -6.448
246 HA2 GLY 37 1HA GLY 37 2.522 -12.473 -6.890
247 HA3 GLY 37 2HA GLY 37 2.793 -11.739 -5.317
248 H GLU 38 H GLU 38 4.016 -13.985 -5.455
249 HA GLU 38 HA GLU 38 2.644 -16.385 -5.121
250 HB2 GLU 38 1HB GLU 38 5.201 -15.866 -5.364
251 HB3 GLU 38 2HB GLU 38 5.172 -15.852 -3.606
252 HG2 GLU 38 1HG GLU 38 3.950 -18.150 -3.925
253 HG3 GLU 38 2HG GLU 38 4.754 -18.110 -5.493
254 H LYS 39 H LYS 39 1.242 -16.987 -3.623
255 HA LYS 39 HA LYS 39 1.480 -15.834 -0.921
256 HB2 LYS 39 1HB LYS 39 -0.554 -15.131 -2.152
257 HB3 LYS 39 2HB LYS 39 -1.024 -16.819 -2.301
258 HG2 LYS 39 1HG LYS 39 -1.153 -16.987 0.142
259 HG3 LYS 39 2HG LYS 39 -0.721 -15.280 0.270
260 HD2 LYS 39 1HD LYS 39 -3.034 -16.033 -1.446
261 HD3 LYS 39 2HD LYS 39 -3.241 -16.075 0.306
262 HE2 LYS 39 1HE LYS 39 -3.858 -13.912 -0.147
263 HE3 LYS 39 2HE LYS 39 -2.139 -13.700 0.180
264 HZ1 LYS 39 3HZ LYS 39 -3.580 -13.167 -2.202
265 HZ2 LYS 39 1HZ LYS 39 -2.333 -14.267 -2.512
266 HZ3 LYS 39 2HZ LYS 39 -1.984 -12.769 -1.810
267 HA PRO 40 HA PRO 40 2.146 -20.449 -0.686
268 HB2 PRO 40 1HB PRO 40 4.398 -20.301 0.824
269 HB3 PRO 40 2HB PRO 40 4.421 -20.249 -0.943
270 HG2 PRO 40 1HG PRO 40 4.577 -17.995 1.021
271 HG3 PRO 40 2HG PRO 40 5.511 -18.252 -0.464
272 HD2 PRO 40 1HD PRO 40 3.399 -16.561 -0.346
273 HD3 PRO 40 2HD PRO 40 3.818 -17.465 -1.816
274 H SER 41 H SER 41 1.074 -21.502 0.857
275 HA SER 41 HA SER 41 -0.198 -20.438 3.003
276 HB2 SER 41 1HB SER 41 -0.717 -22.676 2.351
277 HB3 SER 41 2HB SER 41 0.930 -23.221 2.670
278 HG SER 41 HG SER 41 -1.177 -22.858 4.402
279 H GLY 42 H GLY 42 0.452 -19.414 4.769
280 HA2 GLY 42 1HA GLY 42 2.496 -20.438 6.475
281 HA3 GLY 42 2HA GLY 42 3.064 -19.039 5.576
282 HA PRO 43 HA PRO 43 -0.563 -17.656 8.512
283 HB2 PRO 43 1HB PRO 43 -0.969 -19.297 10.637
284 HB3 PRO 43 2HB PRO 43 -1.850 -19.462 9.113
285 HG2 PRO 43 1HG PRO 43 0.525 -20.991 10.103
286 HG3 PRO 43 2HG PRO 43 -0.928 -21.590 9.281
287 HD2 PRO 43 1HD PRO 43 1.422 -21.203 7.991
288 HD3 PRO 43 2HD PRO 43 -0.151 -20.983 7.197
289 H SER 44 H SER 44 2.565 -18.583 8.987
290 HA SER 44 HA SER 44 3.387 -18.275 11.505
291 HB2 SER 44 1HB SER 44 5.428 -17.374 10.724
292 HB3 SER 44 2HB SER 44 4.801 -18.304 9.363
293 HG SER 44 HG SER 44 5.250 -15.619 9.584
294 H SER 45 H SER 45 3.786 -16.641 13.000
295 HA SER 45 HA SER 45 2.941 -13.929 12.445
296 HB2 SER 45 1HB SER 45 1.496 -15.609 14.509
297 HB3 SER 45 2HB SER 45 1.303 -13.869 14.303
298 HG SER 45 HG SER 45 0.852 -14.663 11.965
299 H GLY 46 H GLY 46 4.662 -12.864 13.181
300 HA2 GLY 46 1HA GLY 46 5.434 -12.059 15.487
301 HA3 GLY 46 2HA GLY 46 5.879 -13.743 15.718
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -30.396 18.016 -5.308
2 HA2 GLY 1 1HA GLY 1 -28.766 19.845 -3.945
3 HA3 GLY 1 2HA GLY 1 -28.999 18.162 -3.494
4 H SER 2 H SER 2 -26.962 20.440 -5.141
5 HA SER 2 HA SER 2 -24.901 18.347 -5.380
6 HB2 SER 2 1HB SER 2 -25.352 20.692 -7.243
7 HB3 SER 2 2HB SER 2 -24.024 19.537 -7.358
8 HG SER 2 HG SER 2 -25.969 19.158 -8.707
9 H SER 3 H SER 3 -23.434 18.701 -3.855
10 HA SER 3 HA SER 3 -23.035 20.931 -2.331
11 HB2 SER 3 1HB SER 3 -21.922 18.530 -2.285
12 HB3 SER 3 2HB SER 3 -20.612 19.366 -3.119
13 HG SER 3 HG SER 3 -21.666 20.590 -0.851
14 H GLY 4 H GLY 4 -21.071 20.071 -5.188
15 HA2 GLY 4 1HA GLY 4 -20.952 22.165 -6.723
16 HA3 GLY 4 2HA GLY 4 -20.161 22.862 -5.317
17 H SER 5 H SER 5 -19.932 19.750 -7.046
18 HA SER 5 HA SER 5 -18.081 18.486 -7.541
19 HB2 SER 5 1HB SER 5 -17.593 21.194 -8.742
20 HB3 SER 5 2HB SER 5 -16.388 19.919 -8.924
21 HG SER 5 HG SER 5 -18.338 18.634 -9.647
22 H SER 6 H SER 6 -17.979 19.298 -4.892
23 HA SER 6 HA SER 6 -15.818 20.656 -3.935
24 HB2 SER 6 1HB SER 6 -15.859 19.096 -1.987
25 HB3 SER 6 2HB SER 6 -17.460 19.681 -2.439
26 HG SER 6 HG SER 6 -16.340 17.130 -2.735
27 H GLY 7 H GLY 7 -13.771 19.800 -2.979
28 HA2 GLY 7 1HA GLY 7 -12.630 17.548 -4.474
29 HA3 GLY 7 2HA GLY 7 -11.841 19.113 -4.598
30 H THR 8 H THR 8 -10.701 19.936 -2.840
31 HA THR 8 HA THR 8 -9.113 19.586 -1.203
32 HB THR 8 HB THR 8 -10.213 19.071 1.028
33 HG1 THR 8 HG1 THR 8 -12.210 18.378 1.009
34 HG21 THR 8 3HG2 THR 8 -11.909 21.203 0.042
35 HG22 THR 8 1HG2 THR 8 -10.258 21.359 -0.556
36 HG23 THR 8 2HG2 THR 8 -10.562 21.273 1.179
37 H GLY 9 H GLY 9 -9.100 17.380 -2.876
38 HA2 GLY 9 1HA GLY 9 -7.829 15.446 -1.293
39 HA3 GLY 9 2HA GLY 9 -9.472 14.902 -1.595
40 H GLU 10 H GLU 10 -6.317 15.058 -2.796
41 HA GLU 10 HA GLU 10 -7.178 14.440 -5.532
42 HB2 GLU 10 1HB GLU 10 -4.477 15.178 -4.399
43 HB3 GLU 10 2HB GLU 10 -4.734 14.693 -6.070
44 HG2 GLU 10 1HG GLU 10 -4.613 17.118 -5.825
45 HG3 GLU 10 2HG GLU 10 -6.182 16.595 -6.435
46 H LYS 11 H LYS 11 -7.304 12.392 -6.131
47 HA LYS 11 HA LYS 11 -5.459 10.440 -4.937
48 HB2 LYS 11 1HB LYS 11 -7.532 8.833 -5.206
49 HB3 LYS 11 2HB LYS 11 -7.329 9.812 -3.759
50 HG2 LYS 11 1HG LYS 11 -9.012 11.282 -4.358
51 HG3 LYS 11 2HG LYS 11 -8.922 10.846 -6.066
52 HD2 LYS 11 1HD LYS 11 -9.794 8.587 -5.460
53 HD3 LYS 11 2HD LYS 11 -10.028 9.175 -3.811
54 HE2 LYS 11 1HE LYS 11 -12.118 9.513 -4.711
55 HE3 LYS 11 2HE LYS 11 -11.365 11.082 -4.992
56 HZ1 LYS 11 3HZ LYS 11 -12.616 9.796 -6.893
57 HZ2 LYS 11 1HZ LYS 11 -11.109 9.051 -7.081
58 HZ3 LYS 11 2HZ LYS 11 -11.245 10.731 -7.220
59 HA PRO 12 HA PRO 12 -5.312 10.210 -9.542
60 HB2 PRO 12 1HB PRO 12 -2.628 9.820 -9.650
61 HB3 PRO 12 2HB PRO 12 -3.362 11.425 -9.564
62 HG2 PRO 12 1HG PRO 12 -2.155 9.775 -7.377
63 HG3 PRO 12 2HG PRO 12 -1.981 11.511 -7.695
64 HD2 PRO 12 1HD PRO 12 -3.658 10.537 -5.806
65 HD3 PRO 12 2HD PRO 12 -4.004 12.021 -6.717
66 H TYR 13 H TYR 13 -3.819 8.204 -7.047
67 HA TYR 13 HA TYR 13 -4.368 5.843 -8.720
68 HB2 TYR 13 1HB TYR 13 -1.965 6.349 -6.959
69 HB3 TYR 13 2HB TYR 13 -2.364 4.777 -7.643
70 HD1 TYR 13 HD2 TYR 13 -2.603 4.678 -10.229
71 HD2 TYR 13 HD1 TYR 13 -0.614 7.816 -8.154
72 HE1 TYR 13 HE2 TYR 13 -1.385 5.258 -12.286
73 HE2 TYR 13 HE1 TYR 13 0.608 8.405 -10.205
74 HH TYR 13 HH TYR 13 1.170 6.671 -12.574
75 H LYS 14 H LYS 14 -5.072 3.986 -7.653
76 HA LYS 14 HA LYS 14 -5.432 4.035 -4.776
77 HB2 LYS 14 1HB LYS 14 -7.412 5.240 -5.628
78 HB3 LYS 14 2HB LYS 14 -7.810 3.855 -6.637
79 HG2 LYS 14 1HG LYS 14 -8.338 2.518 -4.776
80 HG3 LYS 14 2HG LYS 14 -7.582 3.648 -3.651
81 HD2 LYS 14 1HD LYS 14 -9.373 5.307 -4.648
82 HD3 LYS 14 2HD LYS 14 -10.221 3.806 -5.025
83 HE2 LYS 14 1HE LYS 14 -9.116 4.258 -2.283
84 HE3 LYS 14 2HE LYS 14 -10.643 5.004 -2.751
85 HZ1 LYS 14 3HZ LYS 14 -10.597 2.655 -1.661
86 HZ2 LYS 14 1HZ LYS 14 -10.263 2.136 -3.236
87 HZ3 LYS 14 2HZ LYS 14 -11.685 2.992 -2.911
88 H CYS 15 H CYS 15 -6.007 1.987 -3.895
89 HA CYS 15 HA CYS 15 -5.211 -0.227 -5.622
90 HB2 CYS 15 1HB CYS 15 -4.181 0.152 -3.341
91 HB3 CYS 15 2HB CYS 15 -5.735 -0.303 -2.648
92 H ASN 16 H ASN 16 -6.504 -1.910 -6.170
93 HA ASN 16 HA ASN 16 -9.355 -1.588 -5.636
94 HB2 ASN 16 1HB ASN 16 -9.400 -3.586 -7.345
95 HB3 ASN 16 2HB ASN 16 -9.095 -1.945 -7.907
96 HD21 ASN 16 1HD2 ASN 16 -8.127 -5.027 -8.224
97 HD22 ASN 16 2HD2 ASN 16 -6.488 -4.785 -8.712
98 H GLU 17 H GLU 17 -6.879 -3.079 -4.141
99 HA GLU 17 HA GLU 17 -8.255 -5.578 -3.547
100 HB2 GLU 17 1HB GLU 17 -5.544 -4.485 -2.810
101 HB3 GLU 17 2HB GLU 17 -6.184 -5.962 -2.102
102 HG2 GLU 17 1HG GLU 17 -4.682 -6.410 -3.975
103 HG3 GLU 17 2HG GLU 17 -6.316 -6.995 -4.281
104 H CYS 18 H CYS 18 -6.791 -2.942 -1.636
105 HA CYS 18 HA CYS 18 -8.712 -3.540 0.508
106 HB2 CYS 18 1HB CYS 18 -7.113 -2.138 1.911
107 HB3 CYS 18 2HB CYS 18 -6.508 -3.698 1.360
108 H GLY 19 H GLY 19 -7.182 -0.811 -1.191
109 HA2 GLY 19 1HA GLY 19 -8.773 0.886 -2.062
110 HA3 GLY 19 2HA GLY 19 -9.559 0.803 -0.492
111 H LYS 20 H LYS 20 -6.099 0.931 -1.250
112 HA LYS 20 HA LYS 20 -5.858 3.233 0.535
113 HB2 LYS 20 1HB LYS 20 -4.368 1.284 0.871
114 HB3 LYS 20 2HB LYS 20 -3.702 1.535 -0.737
115 HG2 LYS 20 1HG LYS 20 -2.181 2.453 0.846
116 HG3 LYS 20 2HG LYS 20 -2.955 3.794 -0.003
117 HD2 LYS 20 1HD LYS 20 -4.229 4.391 1.840
118 HD3 LYS 20 2HD LYS 20 -4.092 2.794 2.578
119 HE2 LYS 20 1HE LYS 20 -1.663 3.251 2.930
120 HE3 LYS 20 2HE LYS 20 -1.942 4.896 2.360
121 HZ1 LYS 20 3HZ LYS 20 -3.719 4.948 4.191
122 HZ2 LYS 20 1HZ LYS 20 -2.094 5.084 4.645
123 HZ3 LYS 20 2HZ LYS 20 -2.903 3.611 4.833
124 H ALA 21 H ALA 21 -5.884 5.203 -0.302
125 HA ALA 21 HA ALA 21 -5.330 5.605 -3.129
126 HB1 ALA 21 3HB ALA 21 -7.003 7.045 -2.853
127 HB2 ALA 21 1HB ALA 21 -6.876 6.961 -1.096
128 HB3 ALA 21 2HB ALA 21 -5.861 8.085 -2.001
129 H PHE 22 H PHE 22 -3.377 6.121 -3.839
130 HA PHE 22 HA PHE 22 -1.451 7.304 -1.964
131 HB2 PHE 22 1HB PHE 22 -0.841 6.043 -4.639
132 HB3 PHE 22 2HB PHE 22 0.293 6.424 -3.347
133 HD1 PHE 22 HD2 PHE 22 -2.699 4.331 -4.066
134 HD2 PHE 22 HD1 PHE 22 0.901 4.783 -1.841
135 HE1 PHE 22 HE2 PHE 22 -2.978 2.061 -3.160
136 HE2 PHE 22 HE1 PHE 22 0.629 2.513 -0.932
137 HZ PHE 22 HZ PHE 22 -1.313 1.149 -1.590
138 H ARG 23 H ARG 23 0.302 8.624 -3.294
139 HA ARG 23 HA ARG 23 -1.125 10.484 -5.075
140 HB2 ARG 23 1HB ARG 23 -0.573 11.203 -2.588
141 HB3 ARG 23 2HB ARG 23 1.021 11.501 -3.267
142 HG2 ARG 23 1HG ARG 23 0.311 13.256 -4.534
143 HG3 ARG 23 2HG ARG 23 -1.330 12.623 -4.688
144 HD2 ARG 23 1HD ARG 23 -1.771 13.200 -2.353
145 HD3 ARG 23 2HD ARG 23 -0.129 13.821 -2.194
146 HE ARG 23 HE ARG 23 -1.355 15.152 -4.319
147 HH11 ARG 23 1HH1 ARG 23 -1.650 14.869 -0.862
148 HH12 ARG 23 2HH1 ARG 23 -2.291 16.466 -0.655
149 HH21 ARG 23 1HH2 ARG 23 -2.198 17.256 -4.060
150 HH22 ARG 23 2HH2 ARG 23 -2.603 17.822 -2.475
151 H ALA 24 H ALA 24 1.238 8.273 -4.924
152 HA ALA 24 HA ALA 24 2.778 9.595 -7.048
153 HB1 ALA 24 3HB ALA 24 3.759 8.826 -4.462
154 HB2 ALA 24 1HB ALA 24 4.585 7.914 -5.725
155 HB3 ALA 24 2HB ALA 24 4.587 9.677 -5.766
156 H ARG 25 H ARG 25 3.311 8.321 -8.757
157 HA ARG 25 HA ARG 25 1.870 5.994 -9.267
158 HB2 ARG 25 1HB ARG 25 3.419 5.682 -11.187
159 HB3 ARG 25 2HB ARG 25 2.766 7.311 -11.076
160 HG2 ARG 25 1HG ARG 25 4.925 7.905 -9.850
161 HG3 ARG 25 2HG ARG 25 5.537 6.362 -10.449
162 HD2 ARG 25 1HD ARG 25 5.268 7.035 -12.710
163 HD3 ARG 25 2HD ARG 25 4.337 8.458 -12.243
164 HE ARG 25 HE ARG 25 6.844 8.662 -11.050
165 HH11 ARG 25 1HH1 ARG 25 5.462 8.624 -14.244
166 HH12 ARG 25 2HH1 ARG 25 6.702 9.617 -14.935
167 HH21 ARG 25 1HH2 ARG 25 8.483 9.971 -11.947
168 HH22 ARG 25 2HH2 ARG 25 8.421 10.382 -13.628
169 H SER 26 H SER 26 5.206 6.398 -8.148
170 HA SER 26 HA SER 26 5.694 3.562 -8.070
171 HB2 SER 26 1HB SER 26 7.621 4.856 -8.494
172 HB3 SER 26 2HB SER 26 7.258 5.981 -7.185
173 HG SER 26 HG SER 26 8.260 3.350 -7.038
174 H SER 27 H SER 27 3.885 5.543 -6.181
175 HA SER 27 HA SER 27 4.628 4.495 -3.595
176 HB2 SER 27 1HB SER 27 3.655 6.821 -4.049
177 HB3 SER 27 2HB SER 27 2.099 6.012 -4.236
178 HG SER 27 HG SER 27 2.432 6.740 -2.094
179 H LEU 28 H LEU 28 2.175 3.902 -6.031
180 HA LEU 28 HA LEU 28 0.611 2.145 -4.395
181 HB2 LEU 28 1HB LEU 28 -0.540 3.237 -6.134
182 HB3 LEU 28 2HB LEU 28 0.665 2.768 -7.332
183 HG LEU 28 HG LEU 28 -0.186 0.339 -6.701
184 HD11 LEU 28 1HD1 LEU 28 -2.196 0.159 -5.726
185 HD12 LEU 28 2HD1 LEU 28 -2.837 1.580 -6.549
186 HD13 LEU 28 3HD1 LEU 28 -1.850 1.771 -5.100
187 HD21 LEU 28 3HD2 LEU 28 -0.981 0.361 -8.789
188 HD22 LEU 28 1HD2 LEU 28 -0.481 2.052 -8.823
189 HD23 LEU 28 2HD2 LEU 28 -2.148 1.634 -8.428
190 H ALA 29 H ALA 29 3.240 1.785 -6.685
191 HA ALA 29 HA ALA 29 3.087 -0.967 -7.148
192 HB1 ALA 29 3HB ALA 29 4.789 -0.450 -8.470
193 HB2 ALA 29 1HB ALA 29 4.909 1.138 -7.712
194 HB3 ALA 29 2HB ALA 29 5.821 -0.223 -7.058
195 H ILE 30 H ILE 30 5.233 0.719 -4.843
196 HA ILE 30 HA ILE 30 6.336 -1.419 -3.560
197 HB ILE 30 HB ILE 30 5.396 1.130 -2.239
198 HG12 ILE 30 1HG1 ILE 30 8.153 0.468 -3.277
199 HG13 ILE 30 2HG1 ILE 30 6.951 1.319 -4.242
200 HG21 ILE 30 1HG2 ILE 30 6.534 -1.212 -1.122
201 HG22 ILE 30 2HG2 ILE 30 7.754 0.059 -1.070
202 HG23 ILE 30 3HG2 ILE 30 6.176 0.321 -0.327
203 HD11 ILE 30 3HD1 ILE 30 6.953 3.168 -2.771
204 HD12 ILE 30 1HD1 ILE 30 7.882 2.289 -1.557
205 HD13 ILE 30 2HD1 ILE 30 8.640 2.758 -3.079
206 H HIS 31 H HIS 31 3.083 -0.180 -3.210
207 HA HIS 31 HA HIS 31 2.461 -1.764 -0.896
208 HB2 HIS 31 1HB HIS 31 1.214 0.241 -1.130
209 HB3 HIS 31 2HB HIS 31 0.793 -0.126 -2.800
210 HD1 HIS 31 HD1 HIS 31 0.235 -1.858 0.553
211 HD2 HIS 31 HD2 HIS 31 -1.776 -0.913 -2.957
212 HE1 HIS 31 HE1 HIS 31 -2.099 -2.744 0.856
213 H GLN 32 H GLN 32 1.557 -1.912 -4.337
214 HA GLN 32 HA GLN 32 -0.034 -4.135 -4.349
215 HB2 GLN 32 1HB GLN 32 2.051 -3.340 -6.387
216 HB3 GLN 32 2HB GLN 32 0.802 -4.547 -6.666
217 HG2 GLN 32 1HG GLN 32 0.087 -1.764 -5.835
218 HG3 GLN 32 2HG GLN 32 0.435 -2.151 -7.520
219 HE21 GLN 32 1HE2 GLN 32 -1.850 -1.348 -7.634
220 HE22 GLN 32 2HE2 GLN 32 -3.105 -2.524 -7.474
221 H ALA 33 H ALA 33 3.311 -3.976 -3.618
222 HA ALA 33 HA ALA 33 3.898 -6.735 -4.182
223 HB1 ALA 33 3HB ALA 33 5.639 -5.010 -4.285
224 HB2 ALA 33 1HB ALA 33 5.458 -4.733 -2.552
225 HB3 ALA 33 2HB ALA 33 6.048 -6.288 -3.141
226 H THR 34 H THR 34 1.808 -5.635 -2.099
227 HA THR 34 HA THR 34 2.648 -7.398 0.109
228 HB THR 34 HB THR 34 2.316 -4.948 0.657
229 HG1 THR 34 HG1 THR 34 2.147 -6.677 2.223
230 HG21 THR 34 3HG2 THR 34 -0.573 -5.247 0.890
231 HG22 THR 34 1HG2 THR 34 -0.018 -5.246 -0.784
232 HG23 THR 34 2HG2 THR 34 0.376 -3.893 0.277
233 H HIS 35 H HIS 35 0.238 -6.738 -2.272
234 HA HIS 35 HA HIS 35 -1.717 -8.515 -1.057
235 HB2 HIS 35 1HB HIS 35 -1.704 -6.779 -3.513
236 HB3 HIS 35 2HB HIS 35 -2.959 -7.989 -3.264
237 HD1 HIS 35 HD1 HIS 35 -4.296 -7.688 -0.886
238 HD2 HIS 35 HD2 HIS 35 -2.241 -4.390 -2.355
239 HE1 HIS 35 HE1 HIS 35 -5.269 -5.702 0.311
240 H SER 36 H SER 36 0.782 -9.692 -1.733
241 HA SER 36 HA SER 36 0.864 -10.998 -4.188
242 HB2 SER 36 1HB SER 36 2.668 -10.919 -2.385
243 HB3 SER 36 2HB SER 36 1.802 -12.241 -1.601
244 HG SER 36 HG SER 36 3.035 -13.391 -2.881
245 H GLY 37 H GLY 37 -0.356 -12.522 -5.085
246 HA2 GLY 37 1HA GLY 37 -1.777 -14.422 -3.357
247 HA3 GLY 37 2HA GLY 37 -2.713 -13.473 -4.502
248 H GLU 38 H GLU 38 -3.408 -15.121 -5.797
249 HA GLU 38 HA GLU 38 -1.444 -16.201 -7.631
250 HB2 GLU 38 1HB GLU 38 -1.753 -17.773 -5.566
251 HB3 GLU 38 2HB GLU 38 -3.273 -18.194 -6.342
252 HG2 GLU 38 1HG GLU 38 -1.933 -19.805 -7.214
253 HG3 GLU 38 2HG GLU 38 -1.723 -18.551 -8.435
254 H LYS 39 H LYS 39 -2.304 -15.670 -9.522
255 HA LYS 39 HA LYS 39 -5.216 -15.900 -9.873
256 HB2 LYS 39 1HB LYS 39 -4.075 -13.661 -10.238
257 HB3 LYS 39 2HB LYS 39 -3.302 -14.382 -11.644
258 HG2 LYS 39 1HG LYS 39 -5.244 -14.458 -12.850
259 HG3 LYS 39 2HG LYS 39 -6.263 -14.539 -11.411
260 HD2 LYS 39 1HD LYS 39 -4.663 -12.072 -11.868
261 HD3 LYS 39 2HD LYS 39 -6.092 -12.339 -12.870
262 HE2 LYS 39 1HE LYS 39 -7.535 -12.184 -11.089
263 HE3 LYS 39 2HE LYS 39 -6.317 -12.695 -9.921
264 HZ1 LYS 39 3HZ LYS 39 -6.508 -10.045 -11.243
265 HZ2 LYS 39 1HZ LYS 39 -5.217 -10.526 -10.260
266 HZ3 LYS 39 2HZ LYS 39 -6.771 -10.386 -9.607
267 HA PRO 40 HA PRO 40 -3.360 -19.373 -12.341
268 HB2 PRO 40 1HB PRO 40 -5.182 -21.223 -11.549
269 HB3 PRO 40 2HB PRO 40 -3.708 -20.875 -10.637
270 HG2 PRO 40 1HG PRO 40 -6.499 -19.898 -10.170
271 HG3 PRO 40 2HG PRO 40 -5.304 -20.476 -8.994
272 HD2 PRO 40 1HD PRO 40 -5.783 -17.844 -9.410
273 HD3 PRO 40 2HD PRO 40 -4.183 -18.463 -8.955
274 H SER 41 H SER 41 -6.432 -17.838 -12.062
275 HA SER 41 HA SER 41 -7.964 -19.163 -13.955
276 HB2 SER 41 1HB SER 41 -9.346 -17.261 -14.002
277 HB3 SER 41 2HB SER 41 -8.594 -17.190 -12.409
278 HG SER 41 HG SER 41 -7.605 -15.417 -12.964
279 H GLY 42 H GLY 42 -5.561 -16.599 -14.417
280 HA2 GLY 42 1HA GLY 42 -5.288 -17.435 -17.205
281 HA3 GLY 42 2HA GLY 42 -5.727 -15.759 -16.912
282 HA PRO 43 HA PRO 43 -1.229 -16.502 -15.214
283 HB2 PRO 43 1HB PRO 43 0.040 -18.651 -16.282
284 HB3 PRO 43 2HB PRO 43 -0.885 -18.732 -14.778
285 HG2 PRO 43 1HG PRO 43 -1.697 -19.533 -17.546
286 HG3 PRO 43 2HG PRO 43 -1.972 -20.377 -16.010
287 HD2 PRO 43 1HD PRO 43 -3.886 -18.892 -17.221
288 HD3 PRO 43 2HD PRO 43 -3.769 -19.044 -15.456
289 H SER 44 H SER 44 -2.324 -17.070 -18.453
290 HA SER 44 HA SER 44 -0.123 -16.730 -20.024
291 HB2 SER 44 1HB SER 44 -2.944 -15.736 -20.337
292 HB3 SER 44 2HB SER 44 -1.727 -15.394 -21.567
293 HG SER 44 HG SER 44 -1.399 -17.871 -21.235
294 H SER 45 H SER 45 0.907 -14.933 -21.014
295 HA SER 45 HA SER 45 0.682 -12.421 -19.489
296 HB2 SER 45 1HB SER 45 3.159 -13.864 -20.435
297 HB3 SER 45 2HB SER 45 3.175 -12.162 -19.974
298 HG SER 45 HG SER 45 2.054 -13.123 -17.971
299 H GLY 46 H GLY 46 0.477 -10.592 -20.643
300 HA2 GLY 46 1HA GLY 46 1.463 -9.620 -22.865
301 HA3 GLY 46 2HA GLY 46 0.427 -10.856 -23.563
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -26.981 15.675 -7.056
2 HA2 GLY 1 1HA GLY 1 -28.991 14.925 -8.890
3 HA3 GLY 1 2HA GLY 1 -27.416 14.610 -9.603
4 H SER 2 H SER 2 -29.744 12.944 -8.419
5 HA SER 2 HA SER 2 -29.169 11.567 -6.177
6 HB2 SER 2 1HB SER 2 -30.078 9.515 -7.334
7 HB3 SER 2 2HB SER 2 -31.087 10.953 -7.481
8 HG SER 2 HG SER 2 -30.573 9.621 -9.455
9 H SER 3 H SER 3 -27.676 10.948 -9.342
10 HA SER 3 HA SER 3 -26.116 8.784 -8.827
11 HB2 SER 3 1HB SER 3 -24.566 9.591 -10.517
12 HB3 SER 3 2HB SER 3 -26.213 9.996 -11.001
13 HG SER 3 HG SER 3 -25.290 11.898 -11.242
14 H GLY 4 H GLY 4 -24.223 8.317 -7.793
15 HA2 GLY 4 1HA GLY 4 -22.119 9.041 -6.817
16 HA3 GLY 4 2HA GLY 4 -22.928 10.517 -6.313
17 H SER 5 H SER 5 -21.591 7.896 -5.084
18 HA SER 5 HA SER 5 -23.668 7.368 -3.081
19 HB2 SER 5 1HB SER 5 -22.602 5.425 -4.220
20 HB3 SER 5 2HB SER 5 -21.054 5.908 -3.528
21 HG SER 5 HG SER 5 -21.929 5.570 -1.469
22 H SER 6 H SER 6 -20.260 8.299 -3.366
23 HA SER 6 HA SER 6 -20.429 9.963 -1.045
24 HB2 SER 6 1HB SER 6 -20.135 7.623 -0.095
25 HB3 SER 6 2HB SER 6 -18.535 7.619 -0.837
26 HG SER 6 HG SER 6 -19.505 9.442 1.111
27 H GLY 7 H GLY 7 -18.581 11.295 -0.766
28 HA2 GLY 7 1HA GLY 7 -17.220 11.883 -3.199
29 HA3 GLY 7 2HA GLY 7 -16.939 12.649 -1.643
30 H THR 8 H THR 8 -15.945 10.161 -3.839
31 HA THR 8 HA THR 8 -13.533 9.753 -2.207
32 HB THR 8 HB THR 8 -13.484 7.377 -2.833
33 HG1 THR 8 HG1 THR 8 -15.980 8.013 -4.043
34 HG21 THR 8 3HG2 THR 8 -15.738 6.779 -1.585
35 HG22 THR 8 1HG2 THR 8 -15.751 8.514 -1.271
36 HG23 THR 8 2HG2 THR 8 -14.390 7.531 -0.731
37 H GLY 9 H GLY 9 -11.686 8.908 -3.460
38 HA2 GLY 9 1HA GLY 9 -10.483 8.616 -5.460
39 HA3 GLY 9 2HA GLY 9 -11.845 9.279 -6.351
40 H GLU 10 H GLU 10 -10.013 10.602 -3.607
41 HA GLU 10 HA GLU 10 -9.636 13.064 -5.144
42 HB2 GLU 10 1HB GLU 10 -9.607 12.387 -2.230
43 HB3 GLU 10 2HB GLU 10 -8.747 13.815 -2.787
44 HG2 GLU 10 1HG GLU 10 -10.932 14.456 -2.062
45 HG3 GLU 10 2HG GLU 10 -10.839 14.630 -3.814
46 H LYS 11 H LYS 11 -8.072 10.711 -5.748
47 HA LYS 11 HA LYS 11 -5.432 11.902 -5.485
48 HB2 LYS 11 1HB LYS 11 -6.213 9.259 -4.313
49 HB3 LYS 11 2HB LYS 11 -4.584 9.482 -4.937
50 HG2 LYS 11 1HG LYS 11 -5.830 11.295 -2.888
51 HG3 LYS 11 2HG LYS 11 -4.864 9.876 -2.479
52 HD2 LYS 11 1HD LYS 11 -2.914 10.800 -3.365
53 HD3 LYS 11 2HD LYS 11 -3.801 11.982 -4.330
54 HE2 LYS 11 1HE LYS 11 -4.596 12.812 -1.958
55 HE3 LYS 11 2HE LYS 11 -3.115 12.015 -1.431
56 HZ1 LYS 11 3HZ LYS 11 -2.502 14.209 -1.870
57 HZ2 LYS 11 1HZ LYS 11 -3.405 14.288 -3.299
58 HZ3 LYS 11 2HZ LYS 11 -1.990 13.363 -3.242
59 HA PRO 12 HA PRO 12 -4.862 10.411 -9.573
60 HB2 PRO 12 1HB PRO 12 -2.209 9.839 -9.606
61 HB3 PRO 12 2HB PRO 12 -2.835 11.492 -9.576
62 HG2 PRO 12 1HG PRO 12 -1.792 9.820 -7.322
63 HG3 PRO 12 2HG PRO 12 -1.493 11.532 -7.677
64 HD2 PRO 12 1HD PRO 12 -3.275 10.721 -5.806
65 HD3 PRO 12 2HD PRO 12 -3.499 12.202 -6.760
66 H TYR 13 H TYR 13 -3.203 8.380 -7.159
67 HA TYR 13 HA TYR 13 -4.041 6.016 -8.708
68 HB2 TYR 13 1HB TYR 13 -1.605 6.265 -6.933
69 HB3 TYR 13 2HB TYR 13 -2.062 4.856 -7.884
70 HD1 TYR 13 HD2 TYR 13 -2.558 5.601 -10.492
71 HD2 TYR 13 HD1 TYR 13 0.162 7.455 -7.796
72 HE1 TYR 13 HE2 TYR 13 -1.263 6.461 -12.398
73 HE2 TYR 13 HE1 TYR 13 1.463 8.321 -9.694
74 HH TYR 13 HH TYR 13 0.418 7.774 -13.040
75 H LYS 14 H LYS 14 -4.762 4.199 -7.564
76 HA LYS 14 HA LYS 14 -4.986 4.273 -4.690
77 HB2 LYS 14 1HB LYS 14 -6.883 5.671 -5.280
78 HB3 LYS 14 2HB LYS 14 -7.454 4.465 -6.426
79 HG2 LYS 14 1HG LYS 14 -7.935 2.925 -4.640
80 HG3 LYS 14 2HG LYS 14 -7.235 4.030 -3.455
81 HD2 LYS 14 1HD LYS 14 -9.493 4.922 -5.207
82 HD3 LYS 14 2HD LYS 14 -9.812 3.957 -3.764
83 HE2 LYS 14 1HE LYS 14 -8.686 5.614 -2.386
84 HE3 LYS 14 2HE LYS 14 -8.291 6.562 -3.819
85 HZ1 LYS 14 3HZ LYS 14 -10.164 7.618 -3.078
86 HZ2 LYS 14 1HZ LYS 14 -10.881 6.205 -2.486
87 HZ3 LYS 14 2HZ LYS 14 -10.857 6.507 -4.150
88 H CYS 15 H CYS 15 -5.325 2.266 -3.806
89 HA CYS 15 HA CYS 15 -4.859 0.021 -5.506
90 HB2 CYS 15 1HB CYS 15 -4.082 0.345 -3.080
91 HB3 CYS 15 2HB CYS 15 -5.713 -0.130 -2.620
92 H ASN 16 H ASN 16 -6.207 -1.900 -5.605
93 HA ASN 16 HA ASN 16 -9.071 -1.219 -5.565
94 HB2 ASN 16 1HB ASN 16 -9.410 -2.578 -7.449
95 HB3 ASN 16 2HB ASN 16 -7.890 -1.758 -7.792
96 HD21 ASN 16 1HD2 ASN 16 -6.460 -3.041 -8.679
97 HD22 ASN 16 2HD2 ASN 16 -6.239 -4.720 -8.339
98 H GLU 17 H GLU 17 -6.757 -3.000 -3.991
99 HA GLU 17 HA GLU 17 -8.480 -5.264 -3.367
100 HB2 GLU 17 1HB GLU 17 -5.657 -4.579 -2.541
101 HB3 GLU 17 2HB GLU 17 -6.516 -6.010 -1.989
102 HG2 GLU 17 1HG GLU 17 -6.289 -5.510 -4.912
103 HG3 GLU 17 2HG GLU 17 -4.885 -6.111 -4.033
104 H CYS 18 H CYS 18 -6.909 -2.555 -1.696
105 HA CYS 18 HA CYS 18 -8.764 -2.975 0.555
106 HB2 CYS 18 1HB CYS 18 -7.060 -1.761 1.935
107 HB3 CYS 18 2HB CYS 18 -6.509 -3.312 1.310
108 H GLY 19 H GLY 19 -6.993 -0.459 -1.240
109 HA2 GLY 19 1HA GLY 19 -8.502 1.319 -2.167
110 HA3 GLY 19 2HA GLY 19 -9.172 1.412 -0.545
111 H LYS 20 H LYS 20 -5.787 0.869 -0.821
112 HA LYS 20 HA LYS 20 -5.175 3.265 0.582
113 HB2 LYS 20 1HB LYS 20 -3.626 0.995 -0.562
114 HB3 LYS 20 2HB LYS 20 -2.753 2.485 -0.227
115 HG2 LYS 20 1HG LYS 20 -4.453 1.082 1.817
116 HG3 LYS 20 2HG LYS 20 -2.729 0.769 1.603
117 HD2 LYS 20 1HD LYS 20 -2.116 2.816 2.431
118 HD3 LYS 20 2HD LYS 20 -3.620 3.590 1.928
119 HE2 LYS 20 1HE LYS 20 -3.581 1.515 4.093
120 HE3 LYS 20 2HE LYS 20 -3.219 3.205 4.440
121 HZ1 LYS 20 3HZ LYS 20 -5.618 2.409 4.690
122 HZ2 LYS 20 1HZ LYS 20 -5.681 2.445 3.000
123 HZ3 LYS 20 2HZ LYS 20 -5.354 3.861 3.865
124 H ALA 21 H ALA 21 -5.258 5.212 -0.321
125 HA ALA 21 HA ALA 21 -4.637 5.526 -3.160
126 HB1 ALA 21 3HB ALA 21 -5.423 7.948 -2.587
127 HB2 ALA 21 1HB ALA 21 -6.604 6.647 -2.745
128 HB3 ALA 21 2HB ALA 21 -6.088 7.181 -1.145
129 H PHE 22 H PHE 22 -2.814 6.432 -3.884
130 HA PHE 22 HA PHE 22 -1.043 7.727 -1.916
131 HB2 PHE 22 1HB PHE 22 -0.146 6.271 -4.406
132 HB3 PHE 22 2HB PHE 22 0.859 6.849 -3.081
133 HD1 PHE 22 HD2 PHE 22 -1.835 4.434 -3.903
134 HD2 PHE 22 HD1 PHE 22 1.352 5.465 -1.276
135 HE1 PHE 22 HE2 PHE 22 -2.042 2.246 -2.799
136 HE2 PHE 22 HE1 PHE 22 1.151 3.278 -0.168
137 HZ PHE 22 HZ PHE 22 -0.548 1.665 -0.928
138 H ARG 23 H ARG 23 0.732 9.038 -3.225
139 HA ARG 23 HA ARG 23 -0.776 10.863 -4.965
140 HB2 ARG 23 1HB ARG 23 0.732 12.592 -4.307
141 HB3 ARG 23 2HB ARG 23 0.243 11.749 -2.844
142 HG2 ARG 23 1HG ARG 23 2.472 11.894 -2.456
143 HG3 ARG 23 2HG ARG 23 2.443 10.368 -3.341
144 HD2 ARG 23 1HD ARG 23 4.145 11.521 -4.401
145 HD3 ARG 23 2HD ARG 23 2.758 11.867 -5.433
146 HE ARG 23 HE ARG 23 2.847 14.073 -4.778
147 HH11 ARG 23 1HH1 ARG 23 4.960 12.156 -2.783
148 HH12 ARG 23 2HH1 ARG 23 5.727 13.526 -2.052
149 HH21 ARG 23 1HH2 ARG 23 3.850 15.885 -3.823
150 HH22 ARG 23 2HH2 ARG 23 5.095 15.647 -2.644
151 H ALA 24 H ALA 24 1.714 8.553 -4.975
152 HA ALA 24 HA ALA 24 2.440 9.338 -7.711
153 HB1 ALA 24 3HB ALA 24 4.586 9.646 -7.230
154 HB2 ALA 24 1HB ALA 24 4.161 9.547 -5.521
155 HB3 ALA 24 2HB ALA 24 4.675 8.099 -6.388
156 H ARG 25 H ARG 25 3.146 7.602 -9.060
157 HA ARG 25 HA ARG 25 1.668 5.244 -8.785
158 HB2 ARG 25 1HB ARG 25 2.615 6.237 -10.917
159 HB3 ARG 25 2HB ARG 25 4.163 5.539 -10.457
160 HG2 ARG 25 1HG ARG 25 3.338 3.927 -11.859
161 HG3 ARG 25 2HG ARG 25 2.794 3.326 -10.291
162 HD2 ARG 25 1HD ARG 25 0.910 3.141 -11.660
163 HD3 ARG 25 2HD ARG 25 0.639 4.626 -10.750
164 HE ARG 25 HE ARG 25 1.839 5.507 -13.002
165 HH11 ARG 25 1HH1 ARG 25 -0.894 3.431 -12.416
166 HH12 ARG 25 2HH1 ARG 25 -1.716 3.884 -13.873
167 HH21 ARG 25 1HH2 ARG 25 0.767 6.111 -14.923
168 HH22 ARG 25 2HH2 ARG 25 -0.770 5.408 -15.298
169 H SER 26 H SER 26 5.184 5.728 -8.437
170 HA SER 26 HA SER 26 5.933 3.181 -7.734
171 HB2 SER 26 1HB SER 26 7.048 5.699 -6.480
172 HB3 SER 26 2HB SER 26 7.874 4.153 -6.668
173 HG SER 26 HG SER 26 8.404 4.730 -8.608
174 H SER 27 H SER 27 4.445 5.649 -5.719
175 HA SER 27 HA SER 27 4.792 4.353 -3.236
176 HB2 SER 27 1HB SER 27 2.646 6.309 -4.094
177 HB3 SER 27 2HB SER 27 3.014 5.863 -2.428
178 HG SER 27 HG SER 27 5.287 6.578 -3.259
179 H LEU 28 H LEU 28 2.418 4.030 -5.779
180 HA LEU 28 HA LEU 28 0.587 2.466 -4.210
181 HB2 LEU 28 1HB LEU 28 -0.375 3.702 -5.966
182 HB3 LEU 28 2HB LEU 28 0.811 3.119 -7.132
183 HG LEU 28 HG LEU 28 -0.340 0.790 -6.542
184 HD11 LEU 28 1HD1 LEU 28 -2.878 2.134 -6.613
185 HD12 LEU 28 2HD1 LEU 28 -1.974 2.599 -5.172
186 HD13 LEU 28 3HD1 LEU 28 -2.295 0.896 -5.500
187 HD21 LEU 28 3HD2 LEU 28 -0.145 1.628 -8.773
188 HD22 LEU 28 1HD2 LEU 28 -1.347 2.882 -8.463
189 HD23 LEU 28 2HD2 LEU 28 -1.832 1.187 -8.503
190 H ALA 29 H ALA 29 2.961 1.783 -6.761
191 HA ALA 29 HA ALA 29 2.545 -0.952 -7.016
192 HB1 ALA 29 3HB ALA 29 5.350 -0.063 -7.170
193 HB2 ALA 29 1HB ALA 29 4.366 -0.937 -8.344
194 HB3 ALA 29 2HB ALA 29 4.207 0.813 -8.189
195 H ILE 30 H ILE 30 5.167 0.568 -5.125
196 HA ILE 30 HA ILE 30 6.264 -1.508 -3.847
197 HB ILE 30 HB ILE 30 5.437 1.055 -2.480
198 HG12 ILE 30 1HG1 ILE 30 8.191 0.467 -3.494
199 HG13 ILE 30 2HG1 ILE 30 6.955 0.991 -4.633
200 HG21 ILE 30 1HG2 ILE 30 6.494 -1.254 -1.339
201 HG22 ILE 30 2HG2 ILE 30 7.867 -0.163 -1.517
202 HG23 ILE 30 3HG2 ILE 30 6.439 0.357 -0.623
203 HD11 ILE 30 3HD1 ILE 30 6.586 2.914 -2.927
204 HD12 ILE 30 1HD1 ILE 30 8.205 2.480 -2.378
205 HD13 ILE 30 2HD1 ILE 30 7.944 2.976 -4.050
206 H HIS 31 H HIS 31 3.089 -0.173 -3.125
207 HA HIS 31 HA HIS 31 2.671 -1.893 -0.852
208 HB2 HIS 31 1HB HIS 31 1.504 0.117 -0.655
209 HB3 HIS 31 2HB HIS 31 0.993 0.100 -2.340
210 HD1 HIS 31 HD1 HIS 31 0.342 -1.944 0.806
211 HD2 HIS 31 HD2 HIS 31 -1.581 -0.659 -2.645
212 HE1 HIS 31 HE1 HIS 31 -2.035 -2.735 1.027
213 H GLN 32 H GLN 32 1.533 -1.751 -4.206
214 HA GLN 32 HA GLN 32 -0.288 -3.829 -4.178
215 HB2 GLN 32 1HB GLN 32 1.602 -2.935 -6.354
216 HB3 GLN 32 2HB GLN 32 0.335 -4.128 -6.609
217 HG2 GLN 32 1HG GLN 32 -1.199 -2.252 -5.612
218 HG3 GLN 32 2HG GLN 32 0.118 -1.201 -6.132
219 HE21 GLN 32 1HE2 GLN 32 -1.886 -0.476 -7.403
220 HE22 GLN 32 2HE2 GLN 32 -2.060 -1.165 -8.977
221 H ALA 33 H ALA 33 3.098 -3.958 -3.758
222 HA ALA 33 HA ALA 33 3.436 -6.684 -4.619
223 HB1 ALA 33 3HB ALA 33 5.258 -4.991 -4.694
224 HB2 ALA 33 1HB ALA 33 5.298 -5.020 -2.931
225 HB3 ALA 33 2HB ALA 33 5.696 -6.475 -3.847
226 H THR 34 H THR 34 1.628 -5.646 -2.257
227 HA THR 34 HA THR 34 2.551 -7.622 -0.277
228 HB THR 34 HB THR 34 1.218 -6.409 1.390
229 HG1 THR 34 HG1 THR 34 0.516 -4.211 0.595
230 HG21 THR 34 3HG2 THR 34 2.703 -4.137 0.306
231 HG22 THR 34 1HG2 THR 34 3.633 -5.635 0.334
232 HG23 THR 34 2HG2 THR 34 2.921 -5.012 1.822
233 H HIS 35 H HIS 35 -0.033 -6.681 -2.378
234 HA HIS 35 HA HIS 35 -1.956 -8.476 -1.157
235 HB2 HIS 35 1HB HIS 35 -2.045 -6.670 -3.570
236 HB3 HIS 35 2HB HIS 35 -3.354 -7.782 -3.181
237 HD1 HIS 35 HD1 HIS 35 -4.290 -7.411 -0.585
238 HD2 HIS 35 HD2 HIS 35 -2.370 -4.234 -2.451
239 HE1 HIS 35 HE1 HIS 35 -4.997 -5.359 0.685
240 H SER 36 H SER 36 0.404 -9.757 -1.998
241 HA SER 36 HA SER 36 -0.662 -11.902 -3.493
242 HB2 SER 36 1HB SER 36 -0.154 -10.002 -5.238
243 HB3 SER 36 2HB SER 36 1.513 -10.542 -5.042
244 HG SER 36 HG SER 36 -0.691 -11.897 -6.115
245 H GLY 37 H GLY 37 1.318 -13.339 -4.319
246 HA2 GLY 37 1HA GLY 37 3.766 -13.101 -2.888
247 HA3 GLY 37 2HA GLY 37 2.682 -14.220 -2.077
248 H GLU 38 H GLU 38 5.140 -15.027 -3.075
249 HA GLU 38 HA GLU 38 5.340 -16.012 -5.609
250 HB2 GLU 38 1HB GLU 38 6.303 -16.994 -2.965
251 HB3 GLU 38 2HB GLU 38 6.472 -18.060 -4.353
252 HG2 GLU 38 1HG GLU 38 8.483 -16.969 -4.369
253 HG3 GLU 38 2HG GLU 38 7.543 -15.977 -5.481
254 H LYS 39 H LYS 39 3.111 -16.978 -3.183
255 HA LYS 39 HA LYS 39 2.208 -19.200 -4.896
256 HB2 LYS 39 1HB LYS 39 1.321 -20.265 -2.836
257 HB3 LYS 39 2HB LYS 39 3.072 -20.104 -2.829
258 HG2 LYS 39 1HG LYS 39 2.487 -17.851 -1.565
259 HG3 LYS 39 2HG LYS 39 1.033 -18.761 -1.150
260 HD2 LYS 39 1HD LYS 39 2.351 -20.522 -0.175
261 HD3 LYS 39 2HD LYS 39 3.846 -19.765 -0.727
262 HE2 LYS 39 1HE LYS 39 1.905 -18.510 1.210
263 HE3 LYS 39 2HE LYS 39 3.355 -19.394 1.683
264 HZ1 LYS 39 3HZ LYS 39 4.103 -17.485 -0.207
265 HZ2 LYS 39 1HZ LYS 39 4.504 -17.536 1.436
266 HZ3 LYS 39 2HZ LYS 39 3.123 -16.701 0.927
267 HA PRO 40 HA PRO 40 -1.144 -16.018 -4.746
268 HB2 PRO 40 1HB PRO 40 -1.806 -16.273 -7.367
269 HB3 PRO 40 2HB PRO 40 -0.519 -15.201 -6.800
270 HG2 PRO 40 1HG PRO 40 -0.317 -17.946 -7.976
271 HG3 PRO 40 2HG PRO 40 0.678 -16.514 -8.300
272 HD2 PRO 40 1HD PRO 40 1.487 -18.511 -6.659
273 HD3 PRO 40 2HD PRO 40 1.952 -16.816 -6.403
274 H SER 41 H SER 41 -1.226 -19.017 -6.684
275 HA SER 41 HA SER 41 -2.812 -20.632 -6.926
276 HB2 SER 41 1HB SER 41 -2.195 -20.725 -4.401
277 HB3 SER 41 2HB SER 41 -3.785 -20.004 -4.151
278 HG SER 41 HG SER 41 -4.344 -21.895 -5.727
279 H GLY 42 H GLY 42 -3.552 -18.153 -7.946
280 HA2 GLY 42 1HA GLY 42 -6.168 -18.398 -8.601
281 HA3 GLY 42 2HA GLY 42 -6.234 -17.517 -7.082
282 HA PRO 43 HA PRO 43 -4.003 -14.753 -10.409
283 HB2 PRO 43 1HB PRO 43 -4.595 -15.401 -12.979
284 HB3 PRO 43 2HB PRO 43 -3.190 -16.050 -12.124
285 HG2 PRO 43 1HG PRO 43 -5.861 -17.312 -12.610
286 HG3 PRO 43 2HG PRO 43 -4.244 -18.031 -12.733
287 HD2 PRO 43 1HD PRO 43 -5.847 -18.409 -10.584
288 HD3 PRO 43 2HD PRO 43 -4.077 -18.354 -10.457
289 H SER 44 H SER 44 -7.119 -16.183 -11.357
290 HA SER 44 HA SER 44 -8.240 -13.460 -11.449
291 HB2 SER 44 1HB SER 44 -8.869 -15.786 -13.280
292 HB3 SER 44 2HB SER 44 -9.789 -14.283 -13.233
293 HG SER 44 HG SER 44 -7.483 -13.374 -13.544
294 H SER 45 H SER 45 -8.842 -13.793 -9.233
295 HA SER 45 HA SER 45 -11.284 -15.413 -8.981
296 HB2 SER 45 1HB SER 45 -10.633 -16.029 -6.688
297 HB3 SER 45 2HB SER 45 -9.455 -16.614 -7.863
298 HG SER 45 HG SER 45 -9.095 -14.934 -5.791
299 H GLY 46 H GLY 46 -12.514 -13.522 -9.287
300 HA2 GLY 46 1HA GLY 46 -13.829 -11.834 -8.424
301 HA3 GLY 46 2HA GLY 46 -13.030 -12.066 -6.876
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -18.148 20.595 16.448
2 HA2 GLY 1 1HA GLY 1 -17.970 18.366 16.967
3 HA3 GLY 1 2HA GLY 1 -19.334 18.107 15.890
4 H SER 2 H SER 2 -15.985 19.193 15.345
5 HA SER 2 HA SER 2 -15.743 17.061 13.326
6 HB2 SER 2 1HB SER 2 -15.574 19.155 12.213
7 HB3 SER 2 2HB SER 2 -14.518 19.817 13.460
8 HG SER 2 HG SER 2 -12.863 18.564 12.728
9 H SER 3 H SER 3 -14.046 15.676 13.399
10 HA SER 3 HA SER 3 -12.209 15.969 15.685
11 HB2 SER 3 1HB SER 3 -13.808 14.001 15.694
12 HB3 SER 3 2HB SER 3 -12.929 13.383 14.295
13 HG SER 3 HG SER 3 -11.625 14.067 16.708
14 H GLY 4 H GLY 4 -10.630 17.147 14.583
15 HA2 GLY 4 1HA GLY 4 -8.484 17.028 13.630
16 HA3 GLY 4 2HA GLY 4 -8.933 15.512 12.864
17 H SER 5 H SER 5 -7.823 16.574 11.016
18 HA SER 5 HA SER 5 -9.711 18.291 9.542
19 HB2 SER 5 1HB SER 5 -7.739 19.264 8.382
20 HB3 SER 5 2HB SER 5 -7.728 19.579 10.117
21 HG SER 5 HG SER 5 -6.429 17.416 9.997
22 H SER 6 H SER 6 -10.677 17.058 8.070
23 HA SER 6 HA SER 6 -8.992 15.365 6.358
24 HB2 SER 6 1HB SER 6 -10.754 13.641 6.325
25 HB3 SER 6 2HB SER 6 -10.130 13.892 7.955
26 HG SER 6 HG SER 6 -12.052 14.469 8.555
27 H GLY 7 H GLY 7 -9.465 15.413 4.210
28 HA2 GLY 7 1HA GLY 7 -11.611 17.270 3.412
29 HA3 GLY 7 2HA GLY 7 -10.159 16.946 2.477
30 H THR 8 H THR 8 -12.212 16.789 0.963
31 HA THR 8 HA THR 8 -13.933 14.673 0.890
32 HB THR 8 HB THR 8 -12.455 15.807 -1.493
33 HG1 THR 8 HG1 THR 8 -13.699 17.299 -0.114
34 HG21 THR 8 3HG2 THR 8 -14.870 14.051 -1.223
35 HG22 THR 8 1HG2 THR 8 -13.487 13.882 -2.304
36 HG23 THR 8 2HG2 THR 8 -14.694 15.133 -2.604
37 H GLY 9 H GLY 9 -10.776 14.667 -0.790
38 HA2 GLY 9 1HA GLY 9 -9.230 12.824 -0.462
39 HA3 GLY 9 2HA GLY 9 -10.620 11.771 -0.243
40 H GLU 10 H GLU 10 -8.434 13.168 -2.481
41 HA GLU 10 HA GLU 10 -9.503 11.478 -4.589
42 HB2 GLU 10 1HB GLU 10 -10.655 13.682 -4.833
43 HB3 GLU 10 2HB GLU 10 -9.082 14.434 -5.056
44 HG2 GLU 10 1HG GLU 10 -8.760 13.458 -7.127
45 HG3 GLU 10 2HG GLU 10 -9.933 12.178 -6.818
46 H LYS 11 H LYS 11 -7.813 10.361 -5.273
47 HA LYS 11 HA LYS 11 -5.247 11.759 -5.633
48 HB2 LYS 11 1HB LYS 11 -5.838 9.240 -4.166
49 HB3 LYS 11 2HB LYS 11 -4.357 9.293 -5.112
50 HG2 LYS 11 1HG LYS 11 -3.487 11.073 -3.844
51 HG3 LYS 11 2HG LYS 11 -5.053 11.414 -3.105
52 HD2 LYS 11 1HD LYS 11 -4.968 9.413 -1.815
53 HD3 LYS 11 2HD LYS 11 -3.565 8.824 -2.710
54 HE2 LYS 11 1HE LYS 11 -2.276 10.767 -1.834
55 HE3 LYS 11 2HE LYS 11 -3.669 11.187 -0.839
56 HZ1 LYS 11 3HZ LYS 11 -3.488 8.987 0.210
57 HZ2 LYS 11 1HZ LYS 11 -2.103 9.929 0.450
58 HZ3 LYS 11 2HZ LYS 11 -2.088 8.678 -0.688
59 HA PRO 12 HA PRO 12 -5.077 10.078 -9.682
60 HB2 PRO 12 1HB PRO 12 -2.440 9.495 -9.966
61 HB3 PRO 12 2HB PRO 12 -3.061 11.150 -9.942
62 HG2 PRO 12 1HG PRO 12 -1.789 9.572 -7.739
63 HG3 PRO 12 2HG PRO 12 -1.530 11.266 -8.196
64 HD2 PRO 12 1HD PRO 12 -3.108 10.542 -6.117
65 HD3 PRO 12 2HD PRO 12 -3.431 11.981 -7.105
66 H TYR 13 H TYR 13 -3.246 8.145 -7.320
67 HA TYR 13 HA TYR 13 -4.069 5.721 -8.776
68 HB2 TYR 13 1HB TYR 13 -1.729 6.109 -6.897
69 HB3 TYR 13 2HB TYR 13 -2.147 4.606 -7.713
70 HD1 TYR 13 HD2 TYR 13 -2.378 4.867 -10.364
71 HD2 TYR 13 HD1 TYR 13 -0.083 7.414 -7.845
72 HE1 TYR 13 HE2 TYR 13 -1.005 5.529 -12.294
73 HE2 TYR 13 HE1 TYR 13 1.297 8.083 -9.768
74 HH TYR 13 HH TYR 13 1.734 7.757 -11.923
75 H LYS 14 H LYS 14 -5.063 4.064 -7.698
76 HA LYS 14 HA LYS 14 -5.414 4.213 -4.816
77 HB2 LYS 14 1HB LYS 14 -7.261 5.574 -5.692
78 HB3 LYS 14 2HB LYS 14 -7.765 4.238 -6.719
79 HG2 LYS 14 1HG LYS 14 -8.680 3.069 -4.992
80 HG3 LYS 14 2HG LYS 14 -7.567 3.744 -3.800
81 HD2 LYS 14 1HD LYS 14 -9.530 4.800 -3.225
82 HD3 LYS 14 2HD LYS 14 -8.824 5.978 -4.334
83 HE2 LYS 14 1HE LYS 14 -10.672 3.850 -5.344
84 HE3 LYS 14 2HE LYS 14 -11.316 5.313 -4.600
85 HZ1 LYS 14 3HZ LYS 14 -10.146 4.948 -7.194
86 HZ2 LYS 14 1HZ LYS 14 -9.474 6.255 -6.354
87 HZ3 LYS 14 2HZ LYS 14 -11.143 6.191 -6.623
88 H CYS 15 H CYS 15 -5.531 2.242 -3.903
89 HA CYS 15 HA CYS 15 -5.251 -0.066 -5.610
90 HB2 CYS 15 1HB CYS 15 -4.004 0.375 -3.407
91 HB3 CYS 15 2HB CYS 15 -5.494 -0.115 -2.608
92 H ASN 16 H ASN 16 -6.920 -1.150 -6.397
93 HA ASN 16 HA ASN 16 -9.569 -0.818 -5.320
94 HB2 ASN 16 1HB ASN 16 -10.335 -1.803 -7.263
95 HB3 ASN 16 2HB ASN 16 -8.788 -1.168 -7.814
96 HD21 ASN 16 1HD2 ASN 16 -6.964 -2.657 -7.815
97 HD22 ASN 16 2HD2 ASN 16 -7.254 -4.329 -8.141
98 H GLU 17 H GLU 17 -7.051 -2.628 -4.324
99 HA GLU 17 HA GLU 17 -8.503 -5.081 -3.773
100 HB2 GLU 17 1HB GLU 17 -5.735 -4.268 -2.872
101 HB3 GLU 17 2HB GLU 17 -6.425 -5.884 -2.815
102 HG2 GLU 17 1HG GLU 17 -6.276 -4.515 -5.445
103 HG3 GLU 17 2HG GLU 17 -4.788 -5.139 -4.737
104 H CYS 18 H CYS 18 -6.841 -2.589 -1.836
105 HA CYS 18 HA CYS 18 -8.528 -3.353 0.450
106 HB2 CYS 18 1HB CYS 18 -6.827 -2.216 1.845
107 HB3 CYS 18 2HB CYS 18 -6.151 -3.544 0.908
108 H GLY 19 H GLY 19 -7.194 -0.520 -1.237
109 HA2 GLY 19 1HA GLY 19 -8.925 1.198 -1.796
110 HA3 GLY 19 2HA GLY 19 -9.428 1.060 -0.118
111 H LYS 20 H LYS 20 -6.056 0.915 -0.888
112 HA LYS 20 HA LYS 20 -5.642 3.413 0.555
113 HB2 LYS 20 1HB LYS 20 -4.353 1.113 0.822
114 HB3 LYS 20 2HB LYS 20 -3.380 1.769 -0.488
115 HG2 LYS 20 1HG LYS 20 -3.903 3.235 2.084
116 HG3 LYS 20 2HG LYS 20 -2.503 2.195 1.814
117 HD2 LYS 20 1HD LYS 20 -1.631 3.610 0.160
118 HD3 LYS 20 2HD LYS 20 -3.167 4.451 -0.053
119 HE2 LYS 20 1HE LYS 20 -2.944 5.546 2.054
120 HE3 LYS 20 2HE LYS 20 -1.560 4.546 2.492
121 HZ1 LYS 20 3HZ LYS 20 -0.733 6.641 1.816
122 HZ2 LYS 20 1HZ LYS 20 -1.674 6.652 0.409
123 HZ3 LYS 20 2HZ LYS 20 -0.386 5.566 0.557
124 H ALA 21 H ALA 21 -5.365 5.272 -0.472
125 HA ALA 21 HA ALA 21 -4.582 5.222 -3.303
126 HB1 ALA 21 3HB ALA 21 -6.356 6.933 -1.697
127 HB2 ALA 21 1HB ALA 21 -5.365 7.774 -2.890
128 HB3 ALA 21 2HB ALA 21 -6.448 6.477 -3.398
129 H PHE 22 H PHE 22 -2.774 6.220 -4.018
130 HA PHE 22 HA PHE 22 -1.096 7.551 -1.995
131 HB2 PHE 22 1HB PHE 22 -0.127 6.130 -4.480
132 HB3 PHE 22 2HB PHE 22 0.853 6.738 -3.149
133 HD1 PHE 22 HD2 PHE 22 -1.916 4.342 -3.833
134 HD2 PHE 22 HD1 PHE 22 1.507 5.286 -1.487
135 HE1 PHE 22 HE2 PHE 22 -2.078 2.153 -2.722
136 HE2 PHE 22 HE1 PHE 22 1.352 3.097 -0.373
137 HZ PHE 22 HZ PHE 22 -0.443 1.528 -0.989
138 H ARG 23 H ARG 23 0.676 8.931 -3.211
139 HA ARG 23 HA ARG 23 -0.809 10.736 -4.993
140 HB2 ARG 23 1HB ARG 23 0.121 11.571 -2.774
141 HB3 ARG 23 2HB ARG 23 1.719 11.387 -3.486
142 HG2 ARG 23 1HG ARG 23 0.809 12.885 -5.374
143 HG3 ARG 23 2HG ARG 23 -0.461 13.298 -4.219
144 HD2 ARG 23 1HD ARG 23 1.407 13.841 -2.588
145 HD3 ARG 23 2HD ARG 23 2.504 13.732 -3.963
146 HE ARG 23 HE ARG 23 0.325 15.488 -4.488
147 HH11 ARG 23 1HH1 ARG 23 3.388 15.251 -2.852
148 HH12 ARG 23 2HH1 ARG 23 3.708 16.952 -2.926
149 HH21 ARG 23 1HH2 ARG 23 0.734 17.730 -4.592
150 HH22 ARG 23 2HH2 ARG 23 2.197 18.361 -3.916
151 H ALA 24 H ALA 24 1.794 8.541 -4.880
152 HA ALA 24 HA ALA 24 2.679 9.445 -7.540
153 HB1 ALA 24 3HB ALA 24 4.262 9.014 -5.120
154 HB2 ALA 24 1HB ALA 24 4.891 8.189 -6.547
155 HB3 ALA 24 2HB ALA 24 4.639 9.934 -6.576
156 H ARG 25 H ARG 25 3.304 7.820 -9.000
157 HA ARG 25 HA ARG 25 1.796 5.478 -8.960
158 HB2 ARG 25 1HB ARG 25 3.109 6.732 -10.889
159 HB3 ARG 25 2HB ARG 25 4.347 5.544 -10.506
160 HG2 ARG 25 1HG ARG 25 1.534 4.675 -11.018
161 HG3 ARG 25 2HG ARG 25 2.622 5.035 -12.360
162 HD2 ARG 25 1HD ARG 25 2.980 2.779 -12.080
163 HD3 ARG 25 2HD ARG 25 4.260 3.460 -11.077
164 HE ARG 25 HE ARG 25 2.302 3.155 -9.292
165 HH11 ARG 25 1HH1 ARG 25 3.534 0.995 -11.730
166 HH12 ARG 25 2HH1 ARG 25 3.160 -0.439 -10.833
167 HH21 ARG 25 1HH2 ARG 25 1.805 1.273 -8.102
168 HH22 ARG 25 2HH2 ARG 25 2.176 -0.280 -8.770
169 H SER 26 H SER 26 5.326 5.788 -8.530
170 HA SER 26 HA SER 26 5.890 3.156 -7.913
171 HB2 SER 26 1HB SER 26 7.489 5.167 -8.236
172 HB3 SER 26 2HB SER 26 7.287 5.419 -6.502
173 HG SER 26 HG SER 26 8.256 3.511 -6.096
174 H SER 27 H SER 27 4.634 5.701 -5.842
175 HA SER 27 HA SER 27 4.963 4.411 -3.367
176 HB2 SER 27 1HB SER 27 3.036 6.524 -4.327
177 HB3 SER 27 2HB SER 27 3.013 5.926 -2.668
178 HG SER 27 HG SER 27 4.903 7.500 -3.973
179 H LEU 28 H LEU 28 2.598 4.043 -5.892
180 HA LEU 28 HA LEU 28 0.739 2.560 -4.263
181 HB2 LEU 28 1HB LEU 28 -0.203 3.812 -6.034
182 HB3 LEU 28 2HB LEU 28 0.926 3.136 -7.206
183 HG LEU 28 HG LEU 28 -0.287 0.883 -6.569
184 HD11 LEU 28 1HD1 LEU 28 -2.240 3.022 -5.775
185 HD12 LEU 28 2HD1 LEU 28 -1.725 1.608 -4.857
186 HD13 LEU 28 3HD1 LEU 28 -2.751 1.410 -6.277
187 HD21 LEU 28 3HD2 LEU 28 -0.276 2.488 -8.722
188 HD22 LEU 28 1HD2 LEU 28 -1.981 2.588 -8.282
189 HD23 LEU 28 2HD2 LEU 28 -1.247 1.018 -8.610
190 H ALA 29 H ALA 29 3.101 1.813 -6.800
191 HA ALA 29 HA ALA 29 2.623 -0.919 -7.036
192 HB1 ALA 29 3HB ALA 29 4.703 0.934 -7.815
193 HB2 ALA 29 1HB ALA 29 5.362 -0.645 -7.383
194 HB3 ALA 29 2HB ALA 29 4.122 -0.518 -8.631
195 H ILE 30 H ILE 30 5.205 0.627 -5.112
196 HA ILE 30 HA ILE 30 6.307 -1.468 -3.837
197 HB ILE 30 HB ILE 30 5.504 1.116 -2.494
198 HG12 ILE 30 1HG1 ILE 30 8.215 0.423 -3.601
199 HG13 ILE 30 2HG1 ILE 30 6.970 1.132 -4.624
200 HG21 ILE 30 1HG2 ILE 30 6.637 0.517 -0.654
201 HG22 ILE 30 2HG2 ILE 30 6.406 -1.128 -1.244
202 HG23 ILE 30 3HG2 ILE 30 7.913 -0.275 -1.579
203 HD11 ILE 30 3HD1 ILE 30 8.780 2.571 -3.291
204 HD12 ILE 30 1HD1 ILE 30 7.165 3.165 -3.677
205 HD13 ILE 30 2HD1 ILE 30 7.504 2.509 -2.074
206 H HIS 31 H HIS 31 3.165 -0.055 -3.081
207 HA HIS 31 HA HIS 31 2.711 -1.715 -0.791
208 HB2 HIS 31 1HB HIS 31 1.539 0.326 -0.762
209 HB3 HIS 31 2HB HIS 31 0.978 0.129 -2.420
210 HD1 HIS 31 HD1 HIS 31 0.401 -1.348 1.023
211 HD2 HIS 31 HD2 HIS 31 -1.495 -0.995 -2.656
212 HE1 HIS 31 HE1 HIS 31 -1.921 -2.246 1.375
213 H GLN 32 H GLN 32 1.634 -1.748 -4.168
214 HA GLN 32 HA GLN 32 -0.141 -3.876 -4.050
215 HB2 GLN 32 1HB GLN 32 1.707 -3.011 -6.275
216 HB3 GLN 32 2HB GLN 32 0.453 -4.227 -6.473
217 HG2 GLN 32 1HG GLN 32 -1.216 -2.518 -5.763
218 HG3 GLN 32 2HG GLN 32 0.080 -1.323 -5.791
219 HE21 GLN 32 1HE2 GLN 32 -1.899 -0.685 -7.331
220 HE22 GLN 32 2HE2 GLN 32 -1.585 -1.000 -9.000
221 H ALA 33 H ALA 33 3.218 -3.883 -3.565
222 HA ALA 33 HA ALA 33 3.714 -6.585 -4.408
223 HB1 ALA 33 3HB ALA 33 5.636 -5.322 -4.508
224 HB2 ALA 33 1HB ALA 33 5.293 -4.484 -2.994
225 HB3 ALA 33 2HB ALA 33 5.850 -6.158 -2.970
226 H THR 34 H THR 34 1.771 -5.597 -2.097
227 HA THR 34 HA THR 34 2.647 -7.591 -0.114
228 HB THR 34 HB THR 34 1.405 -6.432 1.559
229 HG1 THR 34 HG1 THR 34 0.299 -5.042 -0.646
230 HG21 THR 34 3HG2 THR 34 2.866 -4.447 -0.185
231 HG22 THR 34 1HG2 THR 34 3.564 -5.434 1.098
232 HG23 THR 34 2HG2 THR 34 2.403 -4.166 1.493
233 H HIS 35 H HIS 35 0.021 -6.557 -2.176
234 HA HIS 35 HA HIS 35 -1.923 -8.360 -1.110
235 HB2 HIS 35 1HB HIS 35 -1.767 -6.717 -3.629
236 HB3 HIS 35 2HB HIS 35 -3.099 -7.832 -3.336
237 HD1 HIS 35 HD1 HIS 35 -4.587 -7.294 -1.176
238 HD2 HIS 35 HD2 HIS 35 -1.999 -4.284 -2.402
239 HE1 HIS 35 HE1 HIS 35 -5.399 -5.205 -0.036
240 H SER 36 H SER 36 -0.985 -10.407 -1.082
241 HA SER 36 HA SER 36 -0.417 -11.592 -3.718
242 HB2 SER 36 1HB SER 36 0.688 -12.118 -0.980
243 HB3 SER 36 2HB SER 36 0.688 -13.410 -2.180
244 HG SER 36 HG SER 36 2.150 -12.369 -3.329
245 H GLY 37 H GLY 37 -2.631 -12.012 -4.147
246 HA2 GLY 37 1HA GLY 37 -4.153 -13.671 -2.336
247 HA3 GLY 37 2HA GLY 37 -4.666 -13.107 -3.920
248 H GLU 38 H GLU 38 -2.511 -15.431 -2.325
249 HA GLU 38 HA GLU 38 -2.511 -17.087 -4.731
250 HB2 GLU 38 1HB GLU 38 -0.801 -18.413 -3.590
251 HB3 GLU 38 2HB GLU 38 -0.366 -16.710 -3.615
252 HG2 GLU 38 1HG GLU 38 -0.794 -16.441 -1.341
253 HG3 GLU 38 2HG GLU 38 -1.746 -17.921 -1.252
254 H LYS 39 H LYS 39 -4.127 -16.807 -1.756
255 HA LYS 39 HA LYS 39 -5.279 -19.493 -2.113
256 HB2 LYS 39 1HB LYS 39 -5.641 -19.327 0.466
257 HB3 LYS 39 2HB LYS 39 -4.077 -19.828 -0.163
258 HG2 LYS 39 1HG LYS 39 -3.441 -18.306 1.418
259 HG3 LYS 39 2HG LYS 39 -3.534 -17.274 -0.011
260 HD2 LYS 39 1HD LYS 39 -5.576 -16.339 0.660
261 HD3 LYS 39 2HD LYS 39 -5.885 -17.630 1.823
262 HE2 LYS 39 1HE LYS 39 -5.224 -15.936 3.224
263 HE3 LYS 39 2HE LYS 39 -3.684 -16.741 2.930
264 HZ1 LYS 39 3HZ LYS 39 -4.624 -14.135 2.011
265 HZ2 LYS 39 1HZ LYS 39 -3.641 -15.014 0.951
266 HZ3 LYS 39 2HZ LYS 39 -3.076 -14.618 2.496
267 HA PRO 40 HA PRO 40 -8.473 -16.026 -2.076
268 HB2 PRO 40 1HB PRO 40 -9.439 -16.477 -4.573
269 HB3 PRO 40 2HB PRO 40 -8.091 -15.380 -4.248
270 HG2 PRO 40 1HG PRO 40 -8.038 -18.212 -5.219
271 HG3 PRO 40 2HG PRO 40 -7.083 -16.822 -5.769
272 HD2 PRO 40 1HD PRO 40 -6.093 -18.693 -4.081
273 HD3 PRO 40 2HD PRO 40 -5.596 -16.990 -4.016
274 H SER 41 H SER 41 -9.481 -17.408 -0.510
275 HA SER 41 HA SER 41 -11.504 -19.188 -1.698
276 HB2 SER 41 1HB SER 41 -9.654 -19.688 0.600
277 HB3 SER 41 2HB SER 41 -11.267 -20.400 0.635
278 HG SER 41 HG SER 41 -9.113 -21.208 -0.726
279 H GLY 42 H GLY 42 -10.656 -17.515 1.341
280 HA2 GLY 42 1HA GLY 42 -13.297 -16.290 1.384
281 HA3 GLY 42 2HA GLY 42 -12.942 -17.395 2.704
282 HA PRO 43 HA PRO 43 -9.881 -13.653 3.109
283 HB2 PRO 43 1HB PRO 43 -10.494 -11.464 1.624
284 HB3 PRO 43 2HB PRO 43 -9.420 -12.744 1.049
285 HG2 PRO 43 1HG PRO 43 -12.319 -12.293 0.454
286 HG3 PRO 43 2HG PRO 43 -11.009 -12.754 -0.649
287 HD2 PRO 43 1HD PRO 43 -12.775 -14.549 0.348
288 HD3 PRO 43 2HD PRO 43 -11.089 -14.970 -0.018
289 H SER 44 H SER 44 -10.144 -12.271 4.787
290 HA SER 44 HA SER 44 -12.897 -11.480 5.439
291 HB2 SER 44 1HB SER 44 -11.666 -12.898 7.086
292 HB3 SER 44 2HB SER 44 -10.491 -11.596 7.274
293 HG SER 44 HG SER 44 -13.173 -11.715 8.087
294 H SER 45 H SER 45 -9.576 -10.246 5.342
295 HA SER 45 HA SER 45 -10.423 -7.545 5.910
296 HB2 SER 45 1HB SER 45 -7.723 -8.597 5.032
297 HB3 SER 45 2HB SER 45 -8.050 -6.972 5.633
298 HG SER 45 HG SER 45 -7.744 -7.776 7.539
299 H GLY 46 H GLY 46 -8.840 -9.136 3.132
300 HA2 GLY 46 1HA GLY 46 -10.207 -8.553 1.004
301 HA3 GLY 46 2HA GLY 46 -9.743 -6.913 1.434
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -26.356 24.342 -12.626
2 HA2 GLY 1 1HA GLY 1 -24.680 22.368 -13.415
3 HA3 GLY 1 2HA GLY 1 -23.571 23.601 -12.834
4 H SER 2 H SER 2 -24.076 20.915 -11.791
5 HA SER 2 HA SER 2 -25.235 21.539 -9.164
6 HB2 SER 2 1HB SER 2 -25.978 19.514 -10.644
7 HB3 SER 2 2HB SER 2 -24.503 18.762 -10.036
8 HG SER 2 HG SER 2 -26.175 18.248 -8.651
9 H SER 3 H SER 3 -23.580 22.475 -8.054
10 HA SER 3 HA SER 3 -21.039 21.004 -7.893
11 HB2 SER 3 1HB SER 3 -20.963 23.409 -8.600
12 HB3 SER 3 2HB SER 3 -21.594 23.845 -7.012
13 HG SER 3 HG SER 3 -19.258 22.285 -7.319
14 H GLY 4 H GLY 4 -21.013 19.624 -6.240
15 HA2 GLY 4 1HA GLY 4 -21.943 20.611 -3.619
16 HA3 GLY 4 2HA GLY 4 -22.380 19.005 -4.182
17 H SER 5 H SER 5 -20.556 20.341 -1.993
18 HA SER 5 HA SER 5 -18.037 19.005 -2.529
19 HB2 SER 5 1HB SER 5 -19.034 20.733 -0.266
20 HB3 SER 5 2HB SER 5 -17.479 19.904 -0.196
21 HG SER 5 HG SER 5 -18.177 21.552 -2.379
22 H SER 6 H SER 6 -19.914 17.101 -2.536
23 HA SER 6 HA SER 6 -20.594 15.934 -0.081
24 HB2 SER 6 1HB SER 6 -20.397 14.951 -2.897
25 HB3 SER 6 2HB SER 6 -20.578 13.766 -1.604
26 HG SER 6 HG SER 6 -22.519 14.928 -2.708
27 H GLY 7 H GLY 7 -17.849 15.277 -2.252
28 HA2 GLY 7 1HA GLY 7 -16.421 14.156 0.071
29 HA3 GLY 7 2HA GLY 7 -16.441 13.292 -1.459
30 H THR 8 H THR 8 -15.010 15.819 0.366
31 HA THR 8 HA THR 8 -13.612 16.998 -1.874
32 HB THR 8 HB THR 8 -13.141 17.448 1.078
33 HG1 THR 8 HG1 THR 8 -14.859 18.678 1.033
34 HG21 THR 8 3HG2 THR 8 -11.981 18.541 -1.383
35 HG22 THR 8 1HG2 THR 8 -11.353 18.547 0.265
36 HG23 THR 8 2HG2 THR 8 -12.527 19.764 -0.236
37 H GLY 9 H GLY 9 -11.378 16.902 -2.247
38 HA2 GLY 9 1HA GLY 9 -9.198 16.094 -1.980
39 HA3 GLY 9 2HA GLY 9 -9.761 15.075 -0.664
40 H GLU 10 H GLU 10 -8.629 15.068 -3.773
41 HA GLU 10 HA GLU 10 -9.697 12.363 -4.223
42 HB2 GLU 10 1HB GLU 10 -9.259 14.505 -6.311
43 HB3 GLU 10 2HB GLU 10 -9.675 12.833 -6.661
44 HG2 GLU 10 1HG GLU 10 -11.689 14.001 -6.811
45 HG3 GLU 10 2HG GLU 10 -11.743 13.207 -5.239
46 H LYS 11 H LYS 11 -8.274 10.851 -5.006
47 HA LYS 11 HA LYS 11 -5.459 11.705 -5.149
48 HB2 LYS 11 1HB LYS 11 -6.791 9.290 -4.021
49 HB3 LYS 11 2HB LYS 11 -5.190 9.093 -4.721
50 HG2 LYS 11 1HG LYS 11 -4.698 9.496 -2.514
51 HG3 LYS 11 2HG LYS 11 -4.568 11.113 -3.211
52 HD2 LYS 11 1HD LYS 11 -5.851 11.534 -1.347
53 HD3 LYS 11 2HD LYS 11 -7.101 11.268 -2.565
54 HE2 LYS 11 1HE LYS 11 -7.159 8.866 -1.826
55 HE3 LYS 11 2HE LYS 11 -6.107 9.325 -0.488
56 HZ1 LYS 11 3HZ LYS 11 -8.361 11.053 -0.687
57 HZ2 LYS 11 1HZ LYS 11 -7.825 10.137 0.630
58 HZ3 LYS 11 2HZ LYS 11 -8.845 9.440 -0.526
59 HA PRO 12 HA PRO 12 -5.335 10.432 -9.361
60 HB2 PRO 12 1HB PRO 12 -2.669 9.977 -9.597
61 HB3 PRO 12 2HB PRO 12 -3.361 11.600 -9.500
62 HG2 PRO 12 1HG PRO 12 -2.083 9.954 -7.351
63 HG3 PRO 12 2HG PRO 12 -1.886 11.680 -7.704
64 HD2 PRO 12 1HD PRO 12 -3.488 10.775 -5.718
65 HD3 PRO 12 2HD PRO 12 -3.845 12.253 -6.634
66 H TYR 13 H TYR 13 -3.517 8.444 -7.038
67 HA TYR 13 HA TYR 13 -4.238 6.070 -8.629
68 HB2 TYR 13 1HB TYR 13 -1.841 6.512 -6.838
69 HB3 TYR 13 2HB TYR 13 -2.244 4.982 -7.609
70 HD1 TYR 13 HD2 TYR 13 -2.112 4.770 -10.076
71 HD2 TYR 13 HD1 TYR 13 -0.795 8.277 -8.060
72 HE1 TYR 13 HE2 TYR 13 -0.858 5.445 -12.082
73 HE2 TYR 13 HE1 TYR 13 0.461 8.963 -10.060
74 HH TYR 13 HH TYR 13 1.508 7.722 -12.091
75 H LYS 14 H LYS 14 -5.449 4.553 -7.689
76 HA LYS 14 HA LYS 14 -5.593 4.422 -4.768
77 HB2 LYS 14 1HB LYS 14 -7.485 5.837 -5.911
78 HB3 LYS 14 2HB LYS 14 -8.141 4.261 -6.335
79 HG2 LYS 14 1HG LYS 14 -9.224 4.692 -4.362
80 HG3 LYS 14 2HG LYS 14 -7.835 3.760 -3.796
81 HD2 LYS 14 1HD LYS 14 -6.807 5.599 -2.873
82 HD3 LYS 14 2HD LYS 14 -7.605 6.728 -3.970
83 HE2 LYS 14 1HE LYS 14 -8.573 7.083 -1.844
84 HE3 LYS 14 2HE LYS 14 -9.759 6.168 -2.773
85 HZ1 LYS 14 3HZ LYS 14 -9.393 4.276 -1.546
86 HZ2 LYS 14 1HZ LYS 14 -9.200 5.468 -0.361
87 HZ3 LYS 14 2HZ LYS 14 -7.841 4.741 -1.059
88 H CYS 15 H CYS 15 -5.812 2.392 -3.972
89 HA CYS 15 HA CYS 15 -5.622 0.208 -5.871
90 HB2 CYS 15 1HB CYS 15 -4.121 0.284 -3.918
91 HB3 CYS 15 2HB CYS 15 -5.515 0.185 -2.848
92 H ASN 16 H ASN 16 -7.308 -0.928 -6.543
93 HA ASN 16 HA ASN 16 -9.865 -0.653 -5.179
94 HB2 ASN 16 1HB ASN 16 -10.692 -1.982 -7.191
95 HB3 ASN 16 2HB ASN 16 -10.033 -0.384 -7.529
96 HD21 ASN 16 1HD2 ASN 16 -9.555 -3.806 -7.817
97 HD22 ASN 16 2HD2 ASN 16 -8.253 -3.736 -8.950
98 H GLU 17 H GLU 17 -7.490 -2.344 -4.255
99 HA GLU 17 HA GLU 17 -8.861 -4.943 -4.115
100 HB2 GLU 17 1HB GLU 17 -5.967 -4.317 -3.510
101 HB3 GLU 17 2HB GLU 17 -6.703 -5.913 -3.557
102 HG2 GLU 17 1HG GLU 17 -5.577 -5.732 -5.583
103 HG3 GLU 17 2HG GLU 17 -7.261 -5.401 -5.988
104 H CYS 18 H CYS 18 -7.001 -2.654 -2.127
105 HA CYS 18 HA CYS 18 -8.321 -3.771 0.257
106 HB2 CYS 18 1HB CYS 18 -6.455 -2.912 1.559
107 HB3 CYS 18 2HB CYS 18 -5.851 -3.925 0.252
108 H GLY 19 H GLY 19 -7.325 -0.744 -1.303
109 HA2 GLY 19 1HA GLY 19 -9.062 1.014 -1.374
110 HA3 GLY 19 2HA GLY 19 -9.381 0.635 0.312
111 H LYS 20 H LYS 20 -6.248 0.998 -1.294
112 HA LYS 20 HA LYS 20 -5.595 3.103 0.645
113 HB2 LYS 20 1HB LYS 20 -4.149 1.063 0.532
114 HB3 LYS 20 2HB LYS 20 -3.713 1.518 -1.110
115 HG2 LYS 20 1HG LYS 20 -1.954 2.252 0.273
116 HG3 LYS 20 2HG LYS 20 -2.872 3.695 -0.161
117 HD2 LYS 20 1HD LYS 20 -2.453 3.911 2.141
118 HD3 LYS 20 2HD LYS 20 -4.125 3.355 2.034
119 HE2 LYS 20 1HE LYS 20 -3.570 1.192 2.720
120 HE3 LYS 20 2HE LYS 20 -1.861 1.415 2.351
121 HZ1 LYS 20 3HZ LYS 20 -2.615 3.319 4.263
122 HZ2 LYS 20 1HZ LYS 20 -1.526 2.035 4.434
123 HZ3 LYS 20 2HZ LYS 20 -3.164 1.808 4.791
124 H ALA 21 H ALA 21 -4.311 4.934 -0.084
125 HA ALA 21 HA ALA 21 -4.700 5.585 -2.929
126 HB1 ALA 21 3HB ALA 21 -4.900 7.807 -0.986
127 HB2 ALA 21 1HB ALA 21 -5.744 7.552 -2.514
128 HB3 ALA 21 2HB ALA 21 -6.262 6.689 -1.065
129 H PHE 22 H PHE 22 -2.951 6.370 -3.930
130 HA PHE 22 HA PHE 22 -0.700 7.288 -2.266
131 HB2 PHE 22 1HB PHE 22 -0.311 5.943 -4.926
132 HB3 PHE 22 2HB PHE 22 0.847 6.153 -3.617
133 HD1 PHE 22 HD2 PHE 22 -2.397 4.473 -4.346
134 HD2 PHE 22 HD1 PHE 22 1.295 4.371 -2.232
135 HE1 PHE 22 HE2 PHE 22 -2.939 2.222 -3.514
136 HE2 PHE 22 HE1 PHE 22 0.760 2.120 -1.398
137 HZ PHE 22 HZ PHE 22 -1.360 1.042 -2.038
138 H ARG 23 H ARG 23 0.874 8.660 -3.503
139 HA ARG 23 HA ARG 23 -0.622 10.667 -4.988
140 HB2 ARG 23 1HB ARG 23 1.049 11.110 -3.055
141 HB3 ARG 23 2HB ARG 23 2.289 10.864 -4.277
142 HG2 ARG 23 1HG ARG 23 1.385 12.689 -5.597
143 HG3 ARG 23 2HG ARG 23 0.090 12.915 -4.419
144 HD2 ARG 23 1HD ARG 23 3.037 13.197 -3.842
145 HD3 ARG 23 2HD ARG 23 1.930 14.536 -4.143
146 HE ARG 23 HE ARG 23 1.053 14.263 -2.025
147 HH11 ARG 23 1HH1 ARG 23 3.194 11.627 -2.791
148 HH12 ARG 23 2HH1 ARG 23 3.241 11.022 -1.168
149 HH21 ARG 23 1HH2 ARG 23 1.106 13.476 0.115
150 HH22 ARG 23 2HH2 ARG 23 2.053 12.074 0.484
151 H ALA 24 H ALA 24 1.871 8.280 -5.485
152 HA ALA 24 HA ALA 24 1.730 8.782 -8.361
153 HB1 ALA 24 3HB ALA 24 4.062 8.893 -8.688
154 HB2 ALA 24 1HB ALA 24 3.713 10.003 -7.363
155 HB3 ALA 24 2HB ALA 24 4.398 8.413 -7.025
156 H ARG 25 H ARG 25 3.242 6.992 -9.455
157 HA ARG 25 HA ARG 25 2.022 4.511 -8.857
158 HB2 ARG 25 1HB ARG 25 4.348 5.238 -10.638
159 HB3 ARG 25 2HB ARG 25 3.692 3.610 -10.529
160 HG2 ARG 25 1HG ARG 25 1.778 4.154 -11.647
161 HG3 ARG 25 2HG ARG 25 1.823 5.840 -11.128
162 HD2 ARG 25 1HD ARG 25 3.807 4.657 -13.058
163 HD3 ARG 25 2HD ARG 25 2.302 5.418 -13.572
164 HE ARG 25 HE ARG 25 3.542 7.252 -11.940
165 HH11 ARG 25 1HH1 ARG 25 4.309 5.578 -14.894
166 HH12 ARG 25 2HH1 ARG 25 5.308 6.852 -15.510
167 HH21 ARG 25 1HH2 ARG 25 4.855 8.937 -12.740
168 HH22 ARG 25 2HH2 ARG 25 5.619 8.762 -14.283
169 H SER 26 H SER 26 5.426 5.544 -8.584
170 HA SER 26 HA SER 26 6.593 3.351 -7.517
171 HB2 SER 26 1HB SER 26 7.689 5.581 -7.949
172 HB3 SER 26 2HB SER 26 7.058 6.120 -6.393
173 HG SER 26 HG SER 26 8.629 5.098 -5.463
174 H SER 27 H SER 27 4.550 5.652 -5.786
175 HA SER 27 HA SER 27 4.914 4.445 -3.228
176 HB2 SER 27 1HB SER 27 2.869 6.391 -4.301
177 HB3 SER 27 2HB SER 27 2.871 5.832 -2.628
178 HG SER 27 HG SER 27 4.796 7.388 -3.980
179 H LEU 28 H LEU 28 2.685 3.990 -5.880
180 HA LEU 28 HA LEU 28 0.816 2.398 -4.412
181 HB2 LEU 28 1HB LEU 28 0.023 3.543 -6.336
182 HB3 LEU 28 2HB LEU 28 1.282 2.841 -7.350
183 HG LEU 28 HG LEU 28 0.126 0.586 -6.800
184 HD11 LEU 28 1HD1 LEU 28 -2.406 1.050 -6.606
185 HD12 LEU 28 2HD1 LEU 28 -1.908 2.599 -5.926
186 HD13 LEU 28 3HD1 LEU 28 -1.416 1.095 -5.147
187 HD21 LEU 28 3HD2 LEU 28 0.118 1.309 -9.022
188 HD22 LEU 28 1HD2 LEU 28 -0.890 2.709 -8.659
189 HD23 LEU 28 2HD2 LEU 28 -1.589 1.090 -8.635
190 H ALA 29 H ALA 29 3.553 1.730 -6.543
191 HA ALA 29 HA ALA 29 3.253 -1.030 -6.795
192 HB1 ALA 29 3HB ALA 29 5.176 0.891 -7.507
193 HB2 ALA 29 1HB ALA 29 6.032 -0.361 -6.606
194 HB3 ALA 29 2HB ALA 29 5.082 -0.791 -8.029
195 H ILE 30 H ILE 30 5.385 0.700 -4.511
196 HA ILE 30 HA ILE 30 6.412 -1.288 -3.031
197 HB ILE 30 HB ILE 30 5.179 1.217 -1.880
198 HG12 ILE 30 1HG1 ILE 30 8.096 0.799 -2.441
199 HG13 ILE 30 2HG1 ILE 30 7.016 1.296 -3.739
200 HG21 ILE 30 1HG2 ILE 30 6.112 -0.972 -0.496
201 HG22 ILE 30 2HG2 ILE 30 7.502 0.112 -0.524
202 HG23 ILE 30 3HG2 ILE 30 5.964 0.667 0.135
203 HD11 ILE 30 3HD1 ILE 30 7.212 3.390 -3.078
204 HD12 ILE 30 1HD1 ILE 30 6.501 2.966 -1.521
205 HD13 ILE 30 2HD1 ILE 30 8.249 2.886 -1.743
206 H HIS 31 H HIS 31 3.078 -0.162 -2.861
207 HA HIS 31 HA HIS 31 2.408 -1.933 -0.685
208 HB2 HIS 31 1HB HIS 31 1.073 -0.052 -0.597
209 HB3 HIS 31 2HB HIS 31 0.933 0.061 -2.349
210 HD1 HIS 31 HD1 HIS 31 -0.301 -2.209 0.445
211 HD2 HIS 31 HD2 HIS 31 -1.455 -0.797 -3.288
212 HE1 HIS 31 HE1 HIS 31 -2.625 -3.097 0.079
213 H GLN 32 H GLN 32 1.847 -1.803 -4.177
214 HA GLN 32 HA GLN 32 0.143 -3.980 -4.439
215 HB2 GLN 32 1HB GLN 32 2.244 -2.876 -6.298
216 HB3 GLN 32 2HB GLN 32 1.164 -4.184 -6.760
217 HG2 GLN 32 1HG GLN 32 0.351 -1.402 -5.948
218 HG3 GLN 32 2HG GLN 32 0.343 -2.064 -7.582
219 HE21 GLN 32 1HE2 GLN 32 -1.774 -1.012 -5.688
220 HE22 GLN 32 2HE2 GLN 32 -2.999 -2.230 -5.712
221 H ALA 33 H ALA 33 3.441 -3.904 -3.551
222 HA ALA 33 HA ALA 33 4.046 -6.602 -4.379
223 HB1 ALA 33 3HB ALA 33 5.766 -4.815 -4.266
224 HB2 ALA 33 1HB ALA 33 5.603 -4.822 -2.510
225 HB3 ALA 33 2HB ALA 33 6.188 -6.260 -3.348
226 H THR 34 H THR 34 1.966 -5.610 -2.189
227 HA THR 34 HA THR 34 2.759 -7.563 -0.132
228 HB THR 34 HB THR 34 1.269 -6.415 1.408
229 HG1 THR 34 HG1 THR 34 0.364 -4.343 0.591
230 HG21 THR 34 3HG2 THR 34 3.142 -4.562 -0.064
231 HG22 THR 34 1HG2 THR 34 3.520 -5.566 1.334
232 HG23 THR 34 2HG2 THR 34 2.416 -4.201 1.502
233 H HIS 35 H HIS 35 0.207 -6.582 -2.323
234 HA HIS 35 HA HIS 35 -1.805 -8.320 -1.369
235 HB2 HIS 35 1HB HIS 35 -1.337 -6.829 -3.921
236 HB3 HIS 35 2HB HIS 35 -2.604 -8.050 -3.864
237 HD1 HIS 35 HD1 HIS 35 -4.311 -7.648 -1.686
238 HD2 HIS 35 HD2 HIS 35 -2.223 -4.388 -3.193
239 HE1 HIS 35 HE1 HIS 35 -5.556 -5.619 -0.874
240 H SER 36 H SER 36 -0.429 -10.226 -1.003
241 HA SER 36 HA SER 36 0.636 -11.675 -3.220
242 HB2 SER 36 1HB SER 36 0.109 -12.402 -0.339
243 HB3 SER 36 2HB SER 36 0.764 -13.559 -1.497
244 HG SER 36 HG SER 36 2.370 -12.389 -0.270
245 H GLY 37 H GLY 37 -0.881 -12.139 -4.752
246 HA2 GLY 37 1HA GLY 37 -3.523 -12.918 -4.325
247 HA3 GLY 37 2HA GLY 37 -2.587 -13.292 -5.765
248 H GLU 38 H GLU 38 -0.741 -15.034 -5.041
249 HA GLU 38 HA GLU 38 -2.163 -17.441 -4.707
250 HB2 GLU 38 1HB GLU 38 0.155 -16.988 -5.801
251 HB3 GLU 38 2HB GLU 38 0.782 -17.221 -4.175
252 HG2 GLU 38 1HG GLU 38 -0.426 -19.438 -4.164
253 HG3 GLU 38 2HG GLU 38 -0.688 -19.196 -5.891
254 H LYS 39 H LYS 39 -3.140 -18.025 -2.886
255 HA LYS 39 HA LYS 39 -1.732 -17.583 -0.335
256 HB2 LYS 39 1HB LYS 39 -4.012 -17.675 0.709
257 HB3 LYS 39 2HB LYS 39 -3.742 -16.289 -0.339
258 HG2 LYS 39 1HG LYS 39 -4.891 -17.604 -2.163
259 HG3 LYS 39 2HG LYS 39 -5.362 -18.753 -0.909
260 HD2 LYS 39 1HD LYS 39 -6.314 -16.726 0.331
261 HD3 LYS 39 2HD LYS 39 -6.145 -15.866 -1.202
262 HE2 LYS 39 1HE LYS 39 -7.788 -17.086 -2.224
263 HE3 LYS 39 2HE LYS 39 -7.512 -18.506 -1.217
264 HZ1 LYS 39 3HZ LYS 39 -8.585 -17.387 0.620
265 HZ2 LYS 39 1HZ LYS 39 -9.623 -17.421 -0.715
266 HZ3 LYS 39 2HZ LYS 39 -8.811 -15.993 -0.312
267 HA PRO 40 HA PRO 40 -2.041 -22.168 -1.077
268 HB2 PRO 40 1HB PRO 40 0.537 -22.694 -0.409
269 HB3 PRO 40 2HB PRO 40 0.041 -22.246 -2.045
270 HG2 PRO 40 1HG PRO 40 1.246 -20.544 0.103
271 HG3 PRO 40 2HG PRO 40 1.619 -20.588 -1.631
272 HD2 PRO 40 1HD PRO 40 0.043 -18.682 -0.527
273 HD3 PRO 40 2HD PRO 40 -0.196 -19.279 -2.182
274 H SER 41 H SER 41 -1.265 -23.922 0.527
275 HA SER 41 HA SER 41 -2.215 -23.147 3.139
276 HB2 SER 41 1HB SER 41 -2.860 -25.301 2.029
277 HB3 SER 41 2HB SER 41 -1.198 -25.851 2.238
278 HG SER 41 HG SER 41 -2.956 -26.320 3.922
279 H GLY 42 H GLY 42 -1.084 -23.430 5.107
280 HA2 GLY 42 1HA GLY 42 1.165 -24.290 5.984
281 HA3 GLY 42 2HA GLY 42 1.836 -23.193 4.787
282 HA PRO 43 HA PRO 43 -0.276 -20.582 8.311
283 HB2 PRO 43 1HB PRO 43 -0.513 -21.890 10.678
284 HB3 PRO 43 2HB PRO 43 -1.797 -21.862 9.464
285 HG2 PRO 43 1HG PRO 43 0.229 -23.993 10.030
286 HG3 PRO 43 2HG PRO 43 -1.504 -24.158 9.691
287 HD2 PRO 43 1HD PRO 43 0.396 -24.595 7.812
288 HD3 PRO 43 2HD PRO 43 -1.208 -23.944 7.416
289 H SER 44 H SER 44 0.815 -19.377 9.911
290 HA SER 44 HA SER 44 3.646 -19.966 10.083
291 HB2 SER 44 1HB SER 44 3.849 -17.725 11.038
292 HB3 SER 44 2HB SER 44 2.863 -17.674 9.576
293 HG SER 44 HG SER 44 2.160 -16.617 11.737
294 H SER 45 H SER 45 4.825 -19.886 12.102
295 HA SER 45 HA SER 45 3.556 -21.471 14.126
296 HB2 SER 45 1HB SER 45 5.793 -21.245 15.281
297 HB3 SER 45 2HB SER 45 5.860 -21.934 13.659
298 HG SER 45 HG SER 45 7.272 -20.410 13.331
299 H GLY 46 H GLY 46 5.109 -18.255 14.173
300 HA2 GLY 46 1HA GLY 46 4.505 -17.515 16.759
301 HA3 GLY 46 2HA GLY 46 4.636 -16.383 15.421
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -32.078 16.014 1.892
2 HA2 GLY 1 1HA GLY 1 -31.469 17.618 4.275
3 HA3 GLY 1 2HA GLY 1 -30.993 15.927 4.255
4 H SER 2 H SER 2 -30.112 19.083 3.438
5 HA SER 2 HA SER 2 -28.026 18.180 1.584
6 HB2 SER 2 1HB SER 2 -29.003 20.964 2.262
7 HB3 SER 2 2HB SER 2 -27.697 20.609 1.131
8 HG SER 2 HG SER 2 -30.319 19.565 0.872
9 H SER 3 H SER 3 -25.991 17.967 2.233
10 HA SER 3 HA SER 3 -25.137 19.366 4.680
11 HB2 SER 3 1HB SER 3 -23.778 17.374 5.260
12 HB3 SER 3 2HB SER 3 -25.504 17.017 5.227
13 HG SER 3 HG SER 3 -24.535 15.399 4.100
14 H GLY 4 H GLY 4 -24.052 17.720 1.722
15 HA2 GLY 4 1HA GLY 4 -22.626 19.210 0.281
16 HA3 GLY 4 2HA GLY 4 -21.678 19.478 1.736
17 H SER 5 H SER 5 -20.983 18.312 -0.922
18 HA SER 5 HA SER 5 -20.597 15.538 -0.707
19 HB2 SER 5 1HB SER 5 -19.046 15.770 -2.555
20 HB3 SER 5 2HB SER 5 -20.414 16.850 -2.824
21 HG SER 5 HG SER 5 -18.253 17.763 -3.167
22 H SER 6 H SER 6 -19.563 14.623 0.947
23 HA SER 6 HA SER 6 -17.473 15.899 2.401
24 HB2 SER 6 1HB SER 6 -18.718 13.170 2.439
25 HB3 SER 6 2HB SER 6 -17.224 13.461 3.330
26 HG SER 6 HG SER 6 -18.852 13.913 4.732
27 H GLY 7 H GLY 7 -17.480 12.997 0.319
28 HA2 GLY 7 1HA GLY 7 -14.617 12.869 0.248
29 HA3 GLY 7 2HA GLY 7 -15.728 11.906 -0.715
30 H THR 8 H THR 8 -14.064 12.272 -2.384
31 HA THR 8 HA THR 8 -14.839 14.500 -4.055
32 HB THR 8 HB THR 8 -13.047 15.501 -2.689
33 HG1 THR 8 HG1 THR 8 -11.912 15.090 -5.235
34 HG21 THR 8 3HG2 THR 8 -11.066 14.521 -2.277
35 HG22 THR 8 1HG2 THR 8 -10.899 13.944 -3.935
36 HG23 THR 8 2HG2 THR 8 -11.871 13.034 -2.778
37 H GLY 9 H GLY 9 -14.310 14.211 -6.240
38 HA2 GLY 9 1HA GLY 9 -13.579 11.449 -6.904
39 HA3 GLY 9 2HA GLY 9 -14.415 12.576 -7.962
40 H GLU 10 H GLU 10 -11.375 12.853 -6.130
41 HA GLU 10 HA GLU 10 -9.870 12.944 -8.623
42 HB2 GLU 10 1HB GLU 10 -10.244 15.262 -6.772
43 HB3 GLU 10 2HB GLU 10 -8.699 15.062 -7.585
44 HG2 GLU 10 1HG GLU 10 -11.310 15.108 -9.064
45 HG3 GLU 10 2HG GLU 10 -10.386 16.567 -8.707
46 H LYS 11 H LYS 11 -8.206 11.629 -8.354
47 HA LYS 11 HA LYS 11 -6.499 11.832 -6.043
48 HB2 LYS 11 1HB LYS 11 -8.519 10.170 -5.603
49 HB3 LYS 11 2HB LYS 11 -7.511 9.067 -6.530
50 HG2 LYS 11 1HG LYS 11 -5.813 9.083 -4.941
51 HG3 LYS 11 2HG LYS 11 -6.397 10.572 -4.194
52 HD2 LYS 11 1HD LYS 11 -8.031 8.051 -4.185
53 HD3 LYS 11 2HD LYS 11 -6.813 8.374 -2.948
54 HE2 LYS 11 1HE LYS 11 -8.945 10.381 -3.597
55 HE3 LYS 11 2HE LYS 11 -9.255 9.051 -2.483
56 HZ1 LYS 11 3HZ LYS 11 -8.516 10.608 -1.028
57 HZ2 LYS 11 1HZ LYS 11 -7.524 11.383 -2.158
58 HZ3 LYS 11 2HZ LYS 11 -7.020 9.936 -1.442
59 HA PRO 12 HA PRO 12 -3.567 10.765 -9.155
60 HB2 PRO 12 1HB PRO 12 -1.467 10.159 -7.544
61 HB3 PRO 12 2HB PRO 12 -2.011 11.816 -7.830
62 HG2 PRO 12 1HG PRO 12 -2.575 10.011 -5.509
63 HG3 PRO 12 2HG PRO 12 -2.160 11.735 -5.511
64 HD2 PRO 12 1HD PRO 12 -4.701 10.849 -5.217
65 HD3 PRO 12 2HD PRO 12 -4.312 12.382 -6.024
66 H TYR 13 H TYR 13 -3.545 8.591 -6.321
67 HA TYR 13 HA TYR 13 -3.843 6.297 -8.086
68 HB2 TYR 13 1HB TYR 13 -1.503 6.586 -6.191
69 HB3 TYR 13 2HB TYR 13 -1.929 5.111 -7.050
70 HD1 TYR 13 HD2 TYR 13 -1.575 4.927 -9.460
71 HD2 TYR 13 HD1 TYR 13 -0.461 8.443 -7.338
72 HE1 TYR 13 HE2 TYR 13 -0.209 5.644 -11.376
73 HE2 TYR 13 HE1 TYR 13 0.907 9.170 -9.249
74 HH TYR 13 HH TYR 13 2.107 7.959 -11.220
75 H LYS 14 H LYS 14 -4.778 4.527 -7.110
76 HA LYS 14 HA LYS 14 -5.135 4.440 -4.241
77 HB2 LYS 14 1HB LYS 14 -6.952 5.913 -4.780
78 HB3 LYS 14 2HB LYS 14 -7.459 4.888 -6.117
79 HG2 LYS 14 1HG LYS 14 -8.474 3.368 -4.753
80 HG3 LYS 14 2HG LYS 14 -7.406 3.712 -3.390
81 HD2 LYS 14 1HD LYS 14 -9.531 4.572 -2.799
82 HD3 LYS 14 2HD LYS 14 -8.540 5.966 -3.234
83 HE2 LYS 14 1HE LYS 14 -9.607 6.189 -5.331
84 HE3 LYS 14 2HE LYS 14 -10.363 4.602 -5.199
85 HZ1 LYS 14 3HZ LYS 14 -11.042 6.415 -3.062
86 HZ2 LYS 14 1HZ LYS 14 -12.041 5.422 -3.998
87 HZ3 LYS 14 2HZ LYS 14 -11.561 6.932 -4.587
88 H CYS 15 H CYS 15 -5.478 2.398 -3.500
89 HA CYS 15 HA CYS 15 -5.283 0.261 -5.453
90 HB2 CYS 15 1HB CYS 15 -3.851 0.232 -3.448
91 HB3 CYS 15 2HB CYS 15 -5.286 0.155 -2.429
92 H ASN 16 H ASN 16 -7.041 -0.622 -6.297
93 HA ASN 16 HA ASN 16 -9.595 -0.406 -4.924
94 HB2 ASN 16 1HB ASN 16 -10.430 -1.509 -7.083
95 HB3 ASN 16 2HB ASN 16 -9.762 0.115 -7.219
96 HD21 ASN 16 1HD2 ASN 16 -8.532 -3.218 -7.195
97 HD22 ASN 16 2HD2 ASN 16 -7.513 -3.029 -8.578
98 H GLU 17 H GLU 17 -7.703 -2.096 -3.675
99 HA GLU 17 HA GLU 17 -9.080 -4.682 -3.945
100 HB2 GLU 17 1HB GLU 17 -6.123 -4.274 -3.461
101 HB3 GLU 17 2HB GLU 17 -6.951 -5.825 -3.446
102 HG2 GLU 17 1HG GLU 17 -7.044 -4.059 -5.857
103 HG3 GLU 17 2HG GLU 17 -5.669 -5.120 -5.557
104 H CYS 18 H CYS 18 -7.238 -2.498 -1.870
105 HA CYS 18 HA CYS 18 -8.531 -3.749 0.465
106 HB2 CYS 18 1HB CYS 18 -6.572 -3.175 1.796
107 HB3 CYS 18 2HB CYS 18 -6.099 -4.171 0.423
108 H GLY 19 H GLY 19 -7.157 -0.731 -0.819
109 HA2 GLY 19 1HA GLY 19 -8.796 1.173 -0.735
110 HA3 GLY 19 2HA GLY 19 -9.004 0.742 0.956
111 H LYS 20 H LYS 20 -5.916 0.697 -0.705
112 HA LYS 20 HA LYS 20 -4.967 2.766 1.140
113 HB2 LYS 20 1HB LYS 20 -3.693 0.494 -0.297
114 HB3 LYS 20 2HB LYS 20 -2.701 1.913 0.011
115 HG2 LYS 20 1HG LYS 20 -4.225 0.437 2.145
116 HG3 LYS 20 2HG LYS 20 -2.535 0.128 1.739
117 HD2 LYS 20 1HD LYS 20 -3.347 2.929 2.321
118 HD3 LYS 20 2HD LYS 20 -3.224 1.801 3.674
119 HE2 LYS 20 1HE LYS 20 -1.079 2.568 3.637
120 HE3 LYS 20 2HE LYS 20 -0.919 1.227 2.504
121 HZ1 LYS 20 3HZ LYS 20 0.092 3.312 1.707
122 HZ2 LYS 20 1HZ LYS 20 -1.436 4.039 1.705
123 HZ3 LYS 20 2HZ LYS 20 -1.117 2.736 0.674
124 H ALA 21 H ALA 21 -4.698 4.771 0.437
125 HA ALA 21 HA ALA 21 -4.459 5.231 -2.459
126 HB1 ALA 21 3HB ALA 21 -6.099 6.694 -2.129
127 HB2 ALA 21 1HB ALA 21 -5.982 6.516 -0.378
128 HB3 ALA 21 2HB ALA 21 -4.955 7.680 -1.217
129 H PHE 22 H PHE 22 -2.761 6.336 -3.299
130 HA PHE 22 HA PHE 22 -0.723 7.312 -1.409
131 HB2 PHE 22 1HB PHE 22 -0.145 6.032 -4.084
132 HB3 PHE 22 2HB PHE 22 1.021 6.489 -2.846
133 HD1 PHE 22 HD2 PHE 22 -1.826 4.208 -3.521
134 HD2 PHE 22 HD1 PHE 22 1.663 4.969 -1.205
135 HE1 PHE 22 HE2 PHE 22 -1.982 1.953 -2.551
136 HE2 PHE 22 HE1 PHE 22 1.513 2.715 -0.232
137 HZ PHE 22 HZ PHE 22 -0.312 1.203 -0.903
138 H ARG 23 H ARG 23 1.010 8.587 -2.912
139 HA ARG 23 HA ARG 23 -0.584 10.698 -4.182
140 HB2 ARG 23 1HB ARG 23 0.948 11.226 -2.235
141 HB3 ARG 23 2HB ARG 23 2.297 10.866 -3.304
142 HG2 ARG 23 1HG ARG 23 1.478 12.640 -4.839
143 HG3 ARG 23 2HG ARG 23 0.256 13.051 -3.634
144 HD2 ARG 23 1HD ARG 23 2.440 14.404 -3.662
145 HD3 ARG 23 2HD ARG 23 1.842 13.818 -2.110
146 HE ARG 23 HE ARG 23 4.235 12.964 -3.496
147 HH11 ARG 23 1HH1 ARG 23 1.915 12.286 -0.991
148 HH12 ARG 23 2HH1 ARG 23 2.979 11.241 -0.108
149 HH21 ARG 23 1HH2 ARG 23 5.645 11.590 -2.344
150 HH22 ARG 23 2HH2 ARG 23 5.100 10.847 -0.878
151 H ALA 24 H ALA 24 2.075 8.482 -4.723
152 HA ALA 24 HA ALA 24 2.007 9.197 -7.576
153 HB1 ALA 24 3HB ALA 24 4.386 9.024 -7.760
154 HB2 ALA 24 1HB ALA 24 4.018 10.154 -6.456
155 HB3 ALA 24 2HB ALA 24 4.530 8.509 -6.080
156 H ARG 25 H ARG 25 2.932 7.460 -8.973
157 HA ARG 25 HA ARG 25 1.655 5.014 -8.496
158 HB2 ARG 25 1HB ARG 25 2.487 6.062 -10.715
159 HB3 ARG 25 2HB ARG 25 4.013 5.272 -10.339
160 HG2 ARG 25 1HG ARG 25 2.544 3.146 -10.070
161 HG3 ARG 25 2HG ARG 25 1.375 4.061 -11.024
162 HD2 ARG 25 1HD ARG 25 2.527 2.976 -12.685
163 HD3 ARG 25 2HD ARG 25 3.437 4.482 -12.582
164 HE ARG 25 HE ARG 25 4.798 2.930 -10.893
165 HH11 ARG 25 1HH1 ARG 25 3.605 2.321 -14.106
166 HH12 ARG 25 2HH1 ARG 25 4.875 1.212 -14.508
167 HH21 ARG 25 1HH2 ARG 25 6.475 1.473 -11.410
168 HH22 ARG 25 2HH2 ARG 25 6.506 0.730 -12.974
169 H SER 26 H SER 26 5.158 5.699 -8.530
170 HA SER 26 HA SER 26 6.192 3.314 -7.792
171 HB2 SER 26 1HB SER 26 7.021 6.003 -6.673
172 HB3 SER 26 2HB SER 26 8.008 4.542 -6.647
173 HG SER 26 HG SER 26 6.979 5.571 -9.063
174 H SER 27 H SER 27 4.720 5.676 -5.601
175 HA SER 27 HA SER 27 5.232 4.310 -3.201
176 HB2 SER 27 1HB SER 27 3.328 6.438 -4.063
177 HB3 SER 27 2HB SER 27 3.013 5.623 -2.531
178 HG SER 27 HG SER 27 4.427 7.578 -2.541
179 H LEU 28 H LEU 28 2.436 4.218 -5.383
180 HA LEU 28 HA LEU 28 0.903 2.419 -3.835
181 HB2 LEU 28 1HB LEU 28 -0.259 3.663 -5.443
182 HB3 LEU 28 2HB LEU 28 0.871 3.224 -6.723
183 HG LEU 28 HG LEU 28 -0.062 0.816 -6.330
184 HD11 LEU 28 1HD1 LEU 28 -1.878 2.515 -4.764
185 HD12 LEU 28 2HD1 LEU 28 -1.538 0.790 -4.636
186 HD13 LEU 28 3HD1 LEU 28 -2.663 1.377 -5.860
187 HD21 LEU 28 3HD2 LEU 28 -1.318 3.091 -7.810
188 HD22 LEU 28 1HD2 LEU 28 -2.050 1.487 -7.857
189 HD23 LEU 28 2HD2 LEU 28 -0.399 1.720 -8.432
190 H ALA 29 H ALA 29 3.111 1.927 -6.569
191 HA ALA 29 HA ALA 29 2.780 -0.766 -7.017
192 HB1 ALA 29 3HB ALA 29 4.364 -0.284 -8.493
193 HB2 ALA 29 1HB ALA 29 4.744 1.212 -7.640
194 HB3 ALA 29 2HB ALA 29 5.552 -0.290 -7.190
195 H ILE 30 H ILE 30 5.170 0.687 -4.798
196 HA ILE 30 HA ILE 30 6.351 -1.488 -3.723
197 HB ILE 30 HB ILE 30 5.341 0.875 -2.135
198 HG12 ILE 30 1HG1 ILE 30 8.144 0.506 -3.142
199 HG13 ILE 30 2HG1 ILE 30 6.908 1.174 -4.202
200 HG21 ILE 30 1HG2 ILE 30 6.745 0.276 -0.395
201 HG22 ILE 30 2HG2 ILE 30 6.109 -1.282 -0.922
202 HG23 ILE 30 3HG2 ILE 30 7.726 -0.777 -1.413
203 HD11 ILE 30 3HD1 ILE 30 8.222 2.353 -1.836
204 HD12 ILE 30 1HD1 ILE 30 7.711 3.103 -3.348
205 HD13 ILE 30 2HD1 ILE 30 6.523 2.746 -2.094
206 H HIS 31 H HIS 31 3.131 -0.284 -2.883
207 HA HIS 31 HA HIS 31 2.677 -2.271 -0.871
208 HB2 HIS 31 1HB HIS 31 1.442 -0.293 -0.572
209 HB3 HIS 31 2HB HIS 31 0.932 -0.250 -2.257
210 HD1 HIS 31 HD1 HIS 31 0.281 -2.192 0.925
211 HD2 HIS 31 HD2 HIS 31 -1.480 -1.433 -2.760
212 HE1 HIS 31 HE1 HIS 31 -2.019 -3.201 1.059
213 H GLN 32 H GLN 32 1.557 -1.811 -4.213
214 HA GLN 32 HA GLN 32 -0.140 -3.944 -4.486
215 HB2 GLN 32 1HB GLN 32 1.870 -2.972 -6.525
216 HB3 GLN 32 2HB GLN 32 0.459 -3.960 -6.876
217 HG2 GLN 32 1HG GLN 32 -0.881 -2.038 -5.811
218 HG3 GLN 32 2HG GLN 32 0.588 -1.092 -6.045
219 HE21 GLN 32 1HE2 GLN 32 -2.123 -0.950 -7.268
220 HE22 GLN 32 2HE2 GLN 32 -1.846 -0.985 -8.973
221 H ALA 33 H ALA 33 3.237 -4.025 -3.933
222 HA ALA 33 HA ALA 33 3.669 -6.671 -4.985
223 HB1 ALA 33 3HB ALA 33 5.519 -5.145 -4.992
224 HB2 ALA 33 1HB ALA 33 5.380 -4.897 -3.251
225 HB3 ALA 33 2HB ALA 33 5.888 -6.464 -3.882
226 H THR 34 H THR 34 1.750 -5.870 -2.630
227 HA THR 34 HA THR 34 2.658 -7.972 -0.774
228 HB THR 34 HB THR 34 2.385 -5.610 0.138
229 HG1 THR 34 HG1 THR 34 2.395 -7.046 1.739
230 HG21 THR 34 3HG2 THR 34 0.464 -4.531 -0.177
231 HG22 THR 34 1HG2 THR 34 -0.400 -5.802 0.688
232 HG23 THR 34 2HG2 THR 34 -0.175 -5.919 -1.057
233 H HIS 35 H HIS 35 0.175 -6.958 -2.929
234 HA HIS 35 HA HIS 35 -1.827 -8.762 -1.876
235 HB2 HIS 35 1HB HIS 35 -1.706 -6.874 -4.209
236 HB3 HIS 35 2HB HIS 35 -2.998 -8.064 -4.090
237 HD1 HIS 35 HD1 HIS 35 -4.332 -7.921 -1.661
238 HD2 HIS 35 HD2 HIS 35 -2.286 -4.548 -2.964
239 HE1 HIS 35 HE1 HIS 35 -5.308 -6.000 -0.365
240 H SER 36 H SER 36 -0.553 -10.714 -2.029
241 HA SER 36 HA SER 36 0.010 -11.691 -4.721
242 HB2 SER 36 1HB SER 36 0.619 -12.830 -1.985
243 HB3 SER 36 2HB SER 36 1.024 -13.640 -3.499
244 HG SER 36 HG SER 36 1.843 -10.995 -3.211
245 H GLY 37 H GLY 37 -2.069 -12.035 -5.530
246 HA2 GLY 37 1HA GLY 37 -4.176 -13.017 -5.669
247 HA3 GLY 37 2HA GLY 37 -3.182 -14.461 -5.552
248 H GLU 38 H GLU 38 -3.955 -15.856 -4.129
249 HA GLU 38 HA GLU 38 -4.809 -14.891 -1.507
250 HB2 GLU 38 1HB GLU 38 -6.787 -16.493 -1.641
251 HB3 GLU 38 2HB GLU 38 -6.917 -14.998 -2.556
252 HG2 GLU 38 1HG GLU 38 -6.257 -16.211 -4.590
253 HG3 GLU 38 2HG GLU 38 -6.208 -17.707 -3.659
254 H LYS 39 H LYS 39 -3.713 -15.996 -0.042
255 HA LYS 39 HA LYS 39 -2.993 -18.793 -0.631
256 HB2 LYS 39 1HB LYS 39 -1.159 -16.953 -0.385
257 HB3 LYS 39 2HB LYS 39 -1.490 -17.099 1.336
258 HG2 LYS 39 1HG LYS 39 -0.625 -19.216 1.466
259 HG3 LYS 39 2HG LYS 39 -0.942 -19.567 -0.235
260 HD2 LYS 39 1HD LYS 39 1.027 -17.438 0.473
261 HD3 LYS 39 2HD LYS 39 1.504 -19.132 0.611
262 HE2 LYS 39 1HE LYS 39 2.116 -18.734 -1.552
263 HE3 LYS 39 2HE LYS 39 0.452 -19.258 -1.808
264 HZ1 LYS 39 3HZ LYS 39 0.833 -16.416 -1.343
265 HZ2 LYS 39 1HZ LYS 39 -0.192 -17.210 -2.431
266 HZ3 LYS 39 2HZ LYS 39 1.445 -17.009 -2.805
267 HA PRO 40 HA PRO 40 -5.841 -18.732 3.051
268 HB2 PRO 40 1HB PRO 40 -7.411 -20.766 2.174
269 HB3 PRO 40 2HB PRO 40 -7.696 -19.077 1.739
270 HG2 PRO 40 1HG PRO 40 -6.345 -21.236 0.166
271 HG3 PRO 40 2HG PRO 40 -7.510 -20.015 -0.380
272 HD2 PRO 40 1HD PRO 40 -4.844 -19.770 -0.787
273 HD3 PRO 40 2HD PRO 40 -5.904 -18.369 -0.532
274 H SER 41 H SER 41 -6.477 -20.724 4.394
275 HA SER 41 HA SER 41 -4.113 -22.443 4.585
276 HB2 SER 41 1HB SER 41 -4.977 -21.055 6.560
277 HB3 SER 41 2HB SER 41 -6.308 -22.209 6.641
278 HG SER 41 HG SER 41 -4.019 -22.482 7.780
279 H GLY 42 H GLY 42 -4.218 -24.429 3.789
280 HA2 GLY 42 1HA GLY 42 -6.614 -26.031 4.188
281 HA3 GLY 42 2HA GLY 42 -6.182 -25.710 2.515
282 HA PRO 43 HA PRO 43 -2.727 -28.473 4.549
283 HB2 PRO 43 1HB PRO 43 -3.575 -29.911 6.690
284 HB3 PRO 43 2HB PRO 43 -2.818 -28.321 6.840
285 HG2 PRO 43 1HG PRO 43 -5.721 -29.051 6.905
286 HG3 PRO 43 2HG PRO 43 -4.829 -27.918 7.937
287 HD2 PRO 43 1HD PRO 43 -6.360 -27.100 5.859
288 HD3 PRO 43 2HD PRO 43 -4.892 -26.237 6.361
289 H SER 44 H SER 44 -5.886 -29.025 3.658
290 HA SER 44 HA SER 44 -6.472 -31.650 3.750
291 HB2 SER 44 1HB SER 44 -6.633 -30.024 1.202
292 HB3 SER 44 2HB SER 44 -7.613 -31.430 1.617
293 HG SER 44 HG SER 44 -8.874 -29.765 2.182
294 H SER 45 H SER 45 -4.507 -30.281 1.103
295 HA SER 45 HA SER 45 -3.094 -32.861 0.949
296 HB2 SER 45 1HB SER 45 -3.937 -31.105 -1.370
297 HB3 SER 45 2HB SER 45 -2.952 -32.562 -1.503
298 HG SER 45 HG SER 45 -5.238 -32.871 -1.899
299 H GLY 46 H GLY 46 -0.966 -32.652 -0.240
300 HA2 GLY 46 1HA GLY 46 0.316 -30.104 0.536
301 HA3 GLY 46 2HA GLY 46 1.112 -31.668 0.639
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -27.430 6.210 6.591
2 HA2 GLY 1 1HA GLY 1 -28.285 6.053 4.136
3 HA3 GLY 1 2HA GLY 1 -29.846 5.965 4.939
4 H SER 2 H SER 2 -30.494 7.790 6.273
5 HA SER 2 HA SER 2 -30.171 10.241 4.957
6 HB2 SER 2 1HB SER 2 -31.301 11.212 6.983
7 HB3 SER 2 2HB SER 2 -32.150 9.840 6.270
8 HG SER 2 HG SER 2 -31.807 8.721 8.023
9 H SER 3 H SER 3 -27.956 10.669 4.762
10 HA SER 3 HA SER 3 -26.845 12.203 6.898
11 HB2 SER 3 1HB SER 3 -25.732 9.469 6.316
12 HB3 SER 3 2HB SER 3 -24.696 10.754 6.937
13 HG SER 3 HG SER 3 -26.641 10.894 8.530
14 H GLY 4 H GLY 4 -24.566 12.957 6.303
15 HA2 GLY 4 1HA GLY 4 -24.630 13.712 3.491
16 HA3 GLY 4 2HA GLY 4 -23.597 14.403 4.733
17 H SER 5 H SER 5 -23.239 13.076 1.952
18 HA SER 5 HA SER 5 -20.731 11.804 2.634
19 HB2 SER 5 1HB SER 5 -21.232 9.743 1.342
20 HB3 SER 5 2HB SER 5 -22.241 9.899 2.780
21 HG SER 5 HG SER 5 -23.035 10.675 0.168
22 H SER 6 H SER 6 -19.269 11.730 0.918
23 HA SER 6 HA SER 6 -20.105 13.266 -1.452
24 HB2 SER 6 1HB SER 6 -17.546 13.163 0.103
25 HB3 SER 6 2HB SER 6 -17.497 13.581 -1.610
26 HG SER 6 HG SER 6 -18.958 15.276 -1.160
27 H GLY 7 H GLY 7 -19.405 12.620 -3.509
28 HA2 GLY 7 1HA GLY 7 -18.450 9.825 -3.637
29 HA3 GLY 7 2HA GLY 7 -19.633 10.492 -4.753
30 H THR 8 H THR 8 -18.398 12.978 -5.242
31 HA THR 8 HA THR 8 -16.387 12.127 -7.132
32 HB THR 8 HB THR 8 -16.395 14.485 -7.882
33 HG1 THR 8 HG1 THR 8 -18.215 15.743 -6.847
34 HG21 THR 8 3HG2 THR 8 -17.961 13.362 -9.109
35 HG22 THR 8 1HG2 THR 8 -19.022 14.508 -8.292
36 HG23 THR 8 2HG2 THR 8 -18.875 12.858 -7.688
37 H GLY 9 H GLY 9 -14.772 11.460 -5.570
38 HA2 GLY 9 1HA GLY 9 -13.549 13.507 -3.918
39 HA3 GLY 9 2HA GLY 9 -13.054 11.825 -4.036
40 H GLU 10 H GLU 10 -10.889 12.861 -4.036
41 HA GLU 10 HA GLU 10 -9.990 13.174 -6.780
42 HB2 GLU 10 1HB GLU 10 -8.709 15.228 -6.269
43 HB3 GLU 10 2HB GLU 10 -10.448 15.473 -6.176
44 HG2 GLU 10 1HG GLU 10 -10.381 15.398 -3.773
45 HG3 GLU 10 2HG GLU 10 -8.665 14.994 -3.800
46 H LYS 11 H LYS 11 -8.125 12.139 -7.084
47 HA LYS 11 HA LYS 11 -6.013 12.057 -5.194
48 HB2 LYS 11 1HB LYS 11 -6.081 9.597 -4.762
49 HB3 LYS 11 2HB LYS 11 -7.381 10.495 -3.991
50 HG2 LYS 11 1HG LYS 11 -8.712 9.852 -6.143
51 HG3 LYS 11 2HG LYS 11 -7.491 8.584 -6.274
52 HD2 LYS 11 1HD LYS 11 -9.130 7.530 -5.037
53 HD3 LYS 11 2HD LYS 11 -8.073 8.153 -3.768
54 HE2 LYS 11 1HE LYS 11 -10.334 9.839 -4.736
55 HE3 LYS 11 2HE LYS 11 -10.675 8.493 -3.649
56 HZ1 LYS 11 3HZ LYS 11 -8.662 9.621 -2.361
57 HZ2 LYS 11 1HZ LYS 11 -10.273 10.072 -2.109
58 HZ3 LYS 11 2HZ LYS 11 -9.285 10.996 -3.124
59 HA PRO 12 HA PRO 12 -3.877 11.165 -8.938
60 HB2 PRO 12 1HB PRO 12 -1.513 10.326 -7.898
61 HB3 PRO 12 2HB PRO 12 -2.013 12.022 -7.903
62 HG2 PRO 12 1HG PRO 12 -2.156 10.011 -5.690
63 HG3 PRO 12 2HG PRO 12 -1.655 11.710 -5.626
64 HD2 PRO 12 1HD PRO 12 -4.117 10.888 -4.856
65 HD3 PRO 12 2HD PRO 12 -3.827 12.480 -5.585
66 H TYR 13 H TYR 13 -3.477 8.715 -6.375
67 HA TYR 13 HA TYR 13 -4.073 6.635 -8.347
68 HB2 TYR 13 1HB TYR 13 -1.600 6.799 -6.640
69 HB3 TYR 13 2HB TYR 13 -2.207 5.253 -7.223
70 HD1 TYR 13 HD1 TYR 13 -0.777 8.492 -8.239
71 HD2 TYR 13 HD2 TYR 13 -1.960 4.610 -9.517
72 HE1 TYR 13 HE1 TYR 13 0.401 8.841 -10.370
73 HE2 TYR 13 HE2 TYR 13 -0.784 4.948 -11.651
74 HH TYR 13 HH TYR 13 -0.000 7.657 -12.909
75 H LYS 14 H LYS 14 -4.680 4.583 -7.376
76 HA LYS 14 HA LYS 14 -5.238 4.514 -4.542
77 HB2 LYS 14 1HB LYS 14 -7.159 5.783 -5.379
78 HB3 LYS 14 2HB LYS 14 -7.501 4.515 -6.548
79 HG2 LYS 14 1HG LYS 14 -8.227 3.028 -4.908
80 HG3 LYS 14 2HG LYS 14 -7.449 3.937 -3.610
81 HD2 LYS 14 1HD LYS 14 -9.045 5.798 -4.040
82 HD3 LYS 14 2HD LYS 14 -9.870 4.764 -5.209
83 HE2 LYS 14 1HE LYS 14 -10.709 3.370 -3.585
84 HE3 LYS 14 2HE LYS 14 -9.412 3.737 -2.449
85 HZ1 LYS 14 3HZ LYS 14 -11.870 4.720 -2.235
86 HZ2 LYS 14 1HZ LYS 14 -11.154 5.954 -3.145
87 HZ3 LYS 14 2HZ LYS 14 -10.500 5.519 -1.647
88 H CYS 15 H CYS 15 -5.702 2.440 -3.774
89 HA CYS 15 HA CYS 15 -4.881 0.308 -5.562
90 HB2 CYS 15 1HB CYS 15 -4.098 0.626 -3.131
91 HB3 CYS 15 2HB CYS 15 -5.671 -0.018 -2.674
92 H ASN 16 H ASN 16 -6.068 -1.754 -5.603
93 HA ASN 16 HA ASN 16 -8.974 -1.280 -5.598
94 HB2 ASN 16 1HB ASN 16 -8.590 -1.790 -7.797
95 HB3 ASN 16 2HB ASN 16 -7.162 -2.754 -7.436
96 HD21 ASN 16 1HD2 ASN 16 -10.566 -2.899 -6.443
97 HD22 ASN 16 2HD2 ASN 16 -10.804 -4.549 -6.897
98 H GLU 17 H GLU 17 -6.421 -3.204 -4.331
99 HA GLU 17 HA GLU 17 -8.028 -5.439 -3.540
100 HB2 GLU 17 1HB GLU 17 -5.296 -4.539 -2.612
101 HB3 GLU 17 2HB GLU 17 -6.046 -6.070 -2.183
102 HG2 GLU 17 1HG GLU 17 -5.686 -5.339 -5.054
103 HG3 GLU 17 2HG GLU 17 -4.328 -5.965 -4.120
104 H CYS 18 H CYS 18 -6.669 -2.623 -1.853
105 HA CYS 18 HA CYS 18 -8.523 -3.166 0.373
106 HB2 CYS 18 1HB CYS 18 -6.947 -1.864 1.787
107 HB3 CYS 18 2HB CYS 18 -6.221 -3.318 1.110
108 H GLY 19 H GLY 19 -7.198 -0.717 -1.778
109 HA2 GLY 19 1HA GLY 19 -8.588 1.039 -2.626
110 HA3 GLY 19 2HA GLY 19 -9.509 0.983 -1.131
111 H LYS 20 H LYS 20 -6.037 0.911 -1.058
112 HA LYS 20 HA LYS 20 -5.924 3.226 0.595
113 HB2 LYS 20 1HB LYS 20 -4.310 1.473 0.926
114 HB3 LYS 20 2HB LYS 20 -3.766 1.589 -0.742
115 HG2 LYS 20 1HG LYS 20 -2.100 2.718 0.344
116 HG3 LYS 20 2HG LYS 20 -3.185 4.047 -0.073
117 HD2 LYS 20 1HD LYS 20 -3.618 2.674 2.525
118 HD3 LYS 20 2HD LYS 20 -2.210 3.728 2.380
119 HE2 LYS 20 1HE LYS 20 -3.744 5.521 1.550
120 HE3 LYS 20 2HE LYS 20 -5.100 4.460 1.931
121 HZ1 LYS 20 3HZ LYS 20 -3.216 4.839 4.090
122 HZ2 LYS 20 1HZ LYS 20 -4.907 4.865 4.111
123 HZ3 LYS 20 2HZ LYS 20 -4.047 6.240 3.633
124 H ALA 21 H ALA 21 -5.015 5.250 0.167
125 HA ALA 21 HA ALA 21 -4.909 5.955 -2.693
126 HB1 ALA 21 3HB ALA 21 -6.757 6.975 -1.356
127 HB2 ALA 21 1HB ALA 21 -5.531 7.817 -0.408
128 HB3 ALA 21 2HB ALA 21 -5.688 8.142 -2.135
129 H PHE 22 H PHE 22 -2.925 6.319 -3.412
130 HA PHE 22 HA PHE 22 -0.877 7.265 -1.532
131 HB2 PHE 22 1HB PHE 22 -0.505 6.035 -4.270
132 HB3 PHE 22 2HB PHE 22 0.766 6.413 -3.112
133 HD1 PHE 22 HD2 PHE 22 -2.187 4.264 -3.692
134 HD2 PHE 22 HD1 PHE 22 1.362 4.894 -1.429
135 HE1 PHE 22 HE2 PHE 22 -2.412 2.015 -2.721
136 HE2 PHE 22 HE1 PHE 22 1.144 2.645 -0.455
137 HZ PHE 22 HZ PHE 22 -0.746 1.203 -1.099
138 H ARG 23 H ARG 23 0.963 8.419 -3.054
139 HA ARG 23 HA ARG 23 -0.443 10.738 -4.192
140 HB2 ARG 23 1HB ARG 23 2.395 10.586 -3.160
141 HB3 ARG 23 2HB ARG 23 1.543 12.036 -3.673
142 HG2 ARG 23 1HG ARG 23 0.628 10.324 -1.380
143 HG3 ARG 23 2HG ARG 23 1.730 11.690 -1.193
144 HD2 ARG 23 1HD ARG 23 -0.927 11.978 -2.560
145 HD3 ARG 23 2HD ARG 23 -0.770 12.101 -0.808
146 HE ARG 23 HE ARG 23 1.046 13.799 -2.245
147 HH11 ARG 23 1HH1 ARG 23 -2.170 13.506 -0.943
148 HH12 ARG 23 2HH1 ARG 23 -2.411 15.216 -0.807
149 HH21 ARG 23 1HH2 ARG 23 0.740 16.053 -2.070
150 HH22 ARG 23 2HH2 ARG 23 -0.756 16.664 -1.449
151 H ALA 24 H ALA 24 1.882 8.243 -4.844
152 HA ALA 24 HA ALA 24 1.950 9.083 -7.647
153 HB1 ALA 24 3HB ALA 24 4.081 9.605 -6.003
154 HB2 ALA 24 1HB ALA 24 4.531 8.068 -6.744
155 HB3 ALA 24 2HB ALA 24 4.150 9.460 -7.759
156 H ARG 25 H ARG 25 2.945 7.331 -9.040
157 HA ARG 25 HA ARG 25 1.578 4.903 -8.589
158 HB2 ARG 25 1HB ARG 25 2.867 4.090 -10.572
159 HB3 ARG 25 2HB ARG 25 2.013 5.603 -10.841
160 HG2 ARG 25 1HG ARG 25 4.347 6.620 -10.111
161 HG3 ARG 25 2HG ARG 25 4.922 5.061 -10.705
162 HD2 ARG 25 1HD ARG 25 5.014 6.331 -12.620
163 HD3 ARG 25 2HD ARG 25 3.409 5.615 -12.760
164 HE ARG 25 HE ARG 25 2.490 7.700 -12.509
165 HH11 ARG 25 1HH1 ARG 25 5.846 7.801 -11.589
166 HH12 ARG 25 2HH1 ARG 25 5.891 9.527 -11.452
167 HH21 ARG 25 1HH2 ARG 25 2.537 9.973 -12.332
168 HH22 ARG 25 2HH2 ARG 25 4.008 10.762 -11.875
169 H SER 26 H SER 26 5.086 5.557 -8.685
170 HA SER 26 HA SER 26 6.111 3.145 -8.015
171 HB2 SER 26 1HB SER 26 7.286 5.452 -8.319
172 HB3 SER 26 2HB SER 26 7.138 5.569 -6.565
173 HG SER 26 HG SER 26 9.129 4.594 -7.392
174 H SER 27 H SER 27 4.290 5.261 -5.940
175 HA SER 27 HA SER 27 4.966 3.902 -3.502
176 HB2 SER 27 1HB SER 27 2.979 6.029 -4.251
177 HB3 SER 27 2HB SER 27 2.905 5.252 -2.670
178 HG SER 27 HG SER 27 5.331 5.833 -2.754
179 H LEU 28 H LEU 28 2.271 3.852 -5.781
180 HA LEU 28 HA LEU 28 0.664 2.063 -4.252
181 HB2 LEU 28 1HB LEU 28 -0.338 3.531 -5.886
182 HB3 LEU 28 2HB LEU 28 0.610 2.793 -7.176
183 HG LEU 28 HG LEU 28 -0.664 0.619 -6.465
184 HD11 LEU 28 1HD1 LEU 28 -1.926 1.129 -4.637
185 HD12 LEU 28 2HD1 LEU 28 -3.090 1.504 -5.907
186 HD13 LEU 28 3HD1 LEU 28 -2.179 2.802 -5.136
187 HD21 LEU 28 3HD2 LEU 28 -0.794 1.943 -8.621
188 HD22 LEU 28 1HD2 LEU 28 -2.202 2.748 -7.928
189 HD23 LEU 28 2HD2 LEU 28 -2.224 1.004 -8.191
190 H ALA 29 H ALA 29 3.076 1.679 -6.777
191 HA ALA 29 HA ALA 29 2.613 -1.027 -7.380
192 HB1 ALA 29 3HB ALA 29 5.395 -0.431 -7.606
193 HB2 ALA 29 1HB ALA 29 4.190 -0.614 -8.882
194 HB3 ALA 29 2HB ALA 29 4.458 0.964 -8.141
195 H ILE 30 H ILE 30 5.167 0.371 -5.312
196 HA ILE 30 HA ILE 30 6.254 -1.922 -4.296
197 HB ILE 30 HB ILE 30 5.743 0.631 -2.765
198 HG12 ILE 30 1HG1 ILE 30 8.312 -0.188 -4.100
199 HG13 ILE 30 2HG1 ILE 30 7.060 0.672 -4.989
200 HG21 ILE 30 1HG2 ILE 30 6.980 -0.143 -1.055
201 HG22 ILE 30 2HG2 ILE 30 6.530 -1.726 -1.687
202 HG23 ILE 30 3HG2 ILE 30 8.086 -1.016 -2.116
203 HD11 ILE 30 3HD1 ILE 30 7.725 2.605 -4.151
204 HD12 ILE 30 1HD1 ILE 30 7.592 1.995 -2.502
205 HD13 ILE 30 2HD1 ILE 30 9.085 1.760 -3.412
206 H HIS 31 H HIS 31 3.285 -0.321 -3.268
207 HA HIS 31 HA HIS 31 2.829 -1.981 -1.004
208 HB2 HIS 31 1HB HIS 31 1.660 0.019 -0.879
209 HB3 HIS 31 2HB HIS 31 1.184 -0.034 -2.574
210 HD1 HIS 31 HD1 HIS 31 0.526 -2.390 0.353
211 HD2 HIS 31 HD2 HIS 31 -1.490 -0.350 -2.654
212 HE1 HIS 31 HE1 HIS 31 -1.892 -3.031 0.610
213 H GLN 32 H GLN 32 1.358 -1.919 -4.251
214 HA GLN 32 HA GLN 32 -0.342 -4.059 -4.043
215 HB2 GLN 32 1HB GLN 32 1.308 -3.097 -6.372
216 HB3 GLN 32 2HB GLN 32 0.150 -4.412 -6.527
217 HG2 GLN 32 1HG GLN 32 -1.456 -2.631 -5.405
218 HG3 GLN 32 2HG GLN 32 -0.307 -1.512 -6.138
219 HE21 GLN 32 1HE2 GLN 32 -2.107 -0.815 -7.432
220 HE22 GLN 32 2HE2 GLN 32 -2.549 -1.709 -8.843
221 H ALA 33 H ALA 33 3.075 -4.094 -3.941
222 HA ALA 33 HA ALA 33 3.361 -6.863 -4.721
223 HB1 ALA 33 3HB ALA 33 5.251 -5.683 -5.293
224 HB2 ALA 33 1HB ALA 33 5.224 -4.714 -3.819
225 HB3 ALA 33 2HB ALA 33 5.745 -6.398 -3.759
226 H THR 34 H THR 34 1.812 -5.792 -2.242
227 HA THR 34 HA THR 34 3.078 -7.585 -0.275
228 HB THR 34 HB THR 34 1.974 -6.306 1.486
229 HG1 THR 34 HG1 THR 34 0.847 -4.378 0.906
230 HG21 THR 34 3HG2 THR 34 3.271 -4.275 1.345
231 HG22 THR 34 1HG2 THR 34 3.418 -4.446 -0.404
232 HG23 THR 34 2HG2 THR 34 4.212 -5.602 0.665
233 H HIS 35 H HIS 35 0.149 -6.756 -1.970
234 HA HIS 35 HA HIS 35 -1.661 -8.295 -0.442
235 HB2 HIS 35 1HB HIS 35 -1.698 -7.233 -3.255
236 HB3 HIS 35 2HB HIS 35 -2.997 -8.262 -2.658
237 HD1 HIS 35 HD1 HIS 35 -4.325 -7.297 -0.529
238 HD2 HIS 35 HD2 HIS 35 -1.907 -4.600 -2.565
239 HE1 HIS 35 HE1 HIS 35 -5.093 -5.018 0.205
240 H SER 36 H SER 36 0.108 -9.023 -3.441
241 HA SER 36 HA SER 36 -0.868 -11.592 -3.865
242 HB2 SER 36 1HB SER 36 0.443 -10.449 -5.557
243 HB3 SER 36 2HB SER 36 1.861 -10.450 -4.508
244 HG SER 36 HG SER 36 1.671 -12.809 -4.578
245 H GLY 37 H GLY 37 -0.590 -13.489 -2.877
246 HA2 GLY 37 1HA GLY 37 1.735 -14.457 -1.711
247 HA3 GLY 37 2HA GLY 37 0.835 -13.663 -0.427
248 H GLU 38 H GLU 38 -0.087 -15.186 0.776
249 HA GLU 38 HA GLU 38 -1.351 -17.469 -0.587
250 HB2 GLU 38 1HB GLU 38 -0.178 -17.183 2.173
251 HB3 GLU 38 2HB GLU 38 -1.240 -18.516 1.744
252 HG2 GLU 38 1HG GLU 38 0.476 -18.771 -0.247
253 HG3 GLU 38 2HG GLU 38 1.544 -17.955 0.894
254 H LYS 39 H LYS 39 -1.907 -14.704 1.364
255 HA LYS 39 HA LYS 39 -4.738 -15.471 1.625
256 HB2 LYS 39 1HB LYS 39 -3.465 -15.532 3.807
257 HB3 LYS 39 2HB LYS 39 -3.230 -13.798 3.637
258 HG2 LYS 39 1HG LYS 39 -5.652 -13.468 3.656
259 HG3 LYS 39 2HG LYS 39 -5.884 -15.208 3.836
260 HD2 LYS 39 1HD LYS 39 -4.142 -13.783 5.789
261 HD3 LYS 39 2HD LYS 39 -5.893 -13.607 5.928
262 HE2 LYS 39 1HE LYS 39 -5.958 -16.169 5.797
263 HE3 LYS 39 2HE LYS 39 -4.229 -16.097 6.131
264 HZ1 LYS 39 3HZ LYS 39 -4.595 -15.617 8.263
265 HZ2 LYS 39 1HZ LYS 39 -6.183 -16.138 8.000
266 HZ3 LYS 39 2HZ LYS 39 -5.808 -14.491 7.916
267 HA PRO 40 HA PRO 40 -4.371 -11.527 -0.767
268 HB2 PRO 40 1HB PRO 40 -6.278 -12.192 -2.581
269 HB3 PRO 40 2HB PRO 40 -4.582 -12.660 -2.755
270 HG2 PRO 40 1HG PRO 40 -6.897 -14.267 -1.744
271 HG3 PRO 40 2HG PRO 40 -5.591 -14.753 -2.841
272 HD2 PRO 40 1HD PRO 40 -5.600 -15.398 -0.211
273 HD3 PRO 40 2HD PRO 40 -4.102 -15.102 -1.117
274 H SER 41 H SER 41 -5.301 -10.589 1.184
275 HA SER 41 HA SER 41 -8.081 -10.762 1.745
276 HB2 SER 41 1HB SER 41 -6.207 -10.071 3.346
277 HB3 SER 41 2HB SER 41 -6.282 -8.487 2.575
278 HG SER 41 HG SER 41 -8.610 -8.595 3.110
279 H GLY 42 H GLY 42 -9.734 -9.283 1.352
280 HA2 GLY 42 1HA GLY 42 -9.218 -6.951 -0.295
281 HA3 GLY 42 2HA GLY 42 -10.115 -8.235 -1.090
282 HA PRO 43 HA PRO 43 -12.816 -6.475 2.554
283 HB2 PRO 43 1HB PRO 43 -12.139 -3.968 3.347
284 HB3 PRO 43 2HB PRO 43 -11.491 -5.425 4.110
285 HG2 PRO 43 1HG PRO 43 -10.242 -3.654 2.045
286 HG3 PRO 43 2HG PRO 43 -9.510 -4.378 3.489
287 HD2 PRO 43 1HD PRO 43 -9.172 -5.412 1.009
288 HD3 PRO 43 2HD PRO 43 -9.216 -6.424 2.467
289 H SER 44 H SER 44 -14.210 -4.310 2.703
290 HA SER 44 HA SER 44 -15.263 -3.903 0.095
291 HB2 SER 44 1HB SER 44 -15.853 -2.488 2.705
292 HB3 SER 44 2HB SER 44 -16.790 -2.289 1.224
293 HG SER 44 HG SER 44 -17.398 -3.963 2.953
294 H SER 45 H SER 45 -15.481 -1.888 -1.032
295 HA SER 45 HA SER 45 -13.365 0.066 -0.421
296 HB2 SER 45 1HB SER 45 -12.675 0.177 -2.668
297 HB3 SER 45 2HB SER 45 -12.886 -1.549 -2.377
298 HG SER 45 HG SER 45 -14.396 0.198 -3.939
299 H GLY 46 H GLY 46 -13.726 2.123 -1.821
300 HA2 GLY 46 1HA GLY 46 -15.070 3.893 -2.429
301 HA3 GLY 46 2HA GLY 46 -16.406 2.760 -2.572
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -17.436 19.042 -23.363
2 HA2 GLY 1 1HA GLY 1 -16.631 16.974 -21.990
3 HA3 GLY 1 2HA GLY 1 -15.330 17.008 -23.171
4 H SER 2 H SER 2 -16.992 19.678 -21.523
5 HA SER 2 HA SER 2 -14.364 20.591 -20.570
6 HB2 SER 2 1HB SER 2 -15.289 22.824 -20.494
7 HB3 SER 2 2HB SER 2 -15.650 22.126 -22.073
8 HG SER 2 HG SER 2 -17.657 22.509 -21.634
9 H SER 3 H SER 3 -14.012 19.898 -18.559
10 HA SER 3 HA SER 3 -16.236 19.800 -16.657
11 HB2 SER 3 1HB SER 3 -14.928 17.771 -16.771
12 HB3 SER 3 2HB SER 3 -13.431 18.671 -16.527
13 HG SER 3 HG SER 3 -15.468 18.860 -14.610
14 H GLY 4 H GLY 4 -12.826 20.866 -16.674
15 HA2 GLY 4 1HA GLY 4 -12.100 23.016 -15.988
16 HA3 GLY 4 2HA GLY 4 -13.624 23.231 -15.139
17 H SER 5 H SER 5 -10.360 22.282 -14.893
18 HA SER 5 HA SER 5 -10.656 21.953 -12.020
19 HB2 SER 5 1HB SER 5 -9.674 19.820 -11.858
20 HB3 SER 5 2HB SER 5 -10.819 19.658 -13.189
21 HG SER 5 HG SER 5 -8.590 18.836 -13.510
22 H SER 6 H SER 6 -8.688 22.217 -10.859
23 HA SER 6 HA SER 6 -6.713 23.773 -12.356
24 HB2 SER 6 1HB SER 6 -5.949 24.518 -10.104
25 HB3 SER 6 2HB SER 6 -7.648 24.880 -10.408
26 HG SER 6 HG SER 6 -7.792 23.940 -8.498
27 H GLY 7 H GLY 7 -6.574 21.047 -12.815
28 HA2 GLY 7 1HA GLY 7 -4.932 19.442 -12.992
29 HA3 GLY 7 2HA GLY 7 -3.859 20.522 -12.113
30 H THR 8 H THR 8 -6.643 18.369 -11.593
31 HA THR 8 HA THR 8 -6.455 18.099 -8.843
32 HB THR 8 HB THR 8 -7.238 15.902 -10.767
33 HG1 THR 8 HG1 THR 8 -8.527 17.646 -11.231
34 HG21 THR 8 3HG2 THR 8 -7.057 15.960 -7.949
35 HG22 THR 8 1HG2 THR 8 -7.764 14.703 -8.964
36 HG23 THR 8 2HG2 THR 8 -8.772 16.015 -8.354
37 H GLY 9 H GLY 9 -4.886 17.368 -7.575
38 HA2 GLY 9 1HA GLY 9 -3.215 15.144 -8.539
39 HA3 GLY 9 2HA GLY 9 -2.451 16.592 -7.900
40 H GLU 10 H GLU 10 -5.344 14.898 -6.744
41 HA GLU 10 HA GLU 10 -3.880 14.210 -4.288
42 HB2 GLU 10 1HB GLU 10 -6.529 15.613 -4.542
43 HB3 GLU 10 2HB GLU 10 -6.111 14.707 -3.095
44 HG2 GLU 10 1HG GLU 10 -5.503 16.861 -2.545
45 HG3 GLU 10 2HG GLU 10 -3.978 16.152 -3.075
46 H LYS 11 H LYS 11 -4.032 12.130 -3.796
47 HA LYS 11 HA LYS 11 -4.604 9.922 -3.995
48 HB2 LYS 11 1HB LYS 11 -7.136 11.367 -3.317
49 HB3 LYS 11 2HB LYS 11 -7.189 9.635 -3.617
50 HG2 LYS 11 1HG LYS 11 -5.595 9.247 -1.836
51 HG3 LYS 11 2HG LYS 11 -5.445 10.984 -1.565
52 HD2 LYS 11 1HD LYS 11 -8.059 10.823 -1.275
53 HD3 LYS 11 2HD LYS 11 -7.688 9.139 -0.898
54 HE2 LYS 11 1HE LYS 11 -7.612 10.150 1.184
55 HE3 LYS 11 2HE LYS 11 -5.917 10.144 0.701
56 HZ1 LYS 11 3HZ LYS 11 -7.722 12.460 0.289
57 HZ2 LYS 11 1HZ LYS 11 -6.041 12.422 0.109
58 HZ3 LYS 11 2HZ LYS 11 -6.729 12.283 1.647
59 HA PRO 12 HA PRO 12 -6.192 10.561 -8.413
60 HB2 PRO 12 1HB PRO 12 -3.851 10.055 -9.691
61 HB3 PRO 12 2HB PRO 12 -4.338 11.677 -9.184
62 HG2 PRO 12 1HG PRO 12 -2.467 9.758 -7.851
63 HG3 PRO 12 2HG PRO 12 -2.294 11.507 -8.088
64 HD2 PRO 12 1HD PRO 12 -3.091 10.427 -5.736
65 HD3 PRO 12 2HD PRO 12 -3.660 12.011 -6.302
66 H TYR 13 H TYR 13 -4.023 8.237 -6.895
67 HA TYR 13 HA TYR 13 -5.109 6.116 -8.619
68 HB2 TYR 13 1HB TYR 13 -2.516 6.486 -7.197
69 HB3 TYR 13 2HB TYR 13 -3.119 4.844 -7.390
70 HD1 TYR 13 HD2 TYR 13 -3.740 4.102 -9.781
71 HD2 TYR 13 HD1 TYR 13 -1.347 7.516 -8.932
72 HE1 TYR 13 HE2 TYR 13 -2.847 4.039 -12.072
73 HE2 TYR 13 HE1 TYR 13 -0.448 7.463 -11.221
74 HH TYR 13 HH TYR 13 -0.553 4.929 -13.179
75 H LYS 14 H LYS 14 -5.345 3.958 -7.505
76 HA LYS 14 HA LYS 14 -5.864 3.947 -4.685
77 HB2 LYS 14 1HB LYS 14 -7.896 5.076 -5.703
78 HB3 LYS 14 2HB LYS 14 -8.247 3.544 -6.492
79 HG2 LYS 14 1HG LYS 14 -8.737 2.480 -4.489
80 HG3 LYS 14 2HG LYS 14 -7.875 3.682 -3.527
81 HD2 LYS 14 1HD LYS 14 -10.314 4.398 -5.126
82 HD3 LYS 14 2HD LYS 14 -10.439 3.736 -3.495
83 HE2 LYS 14 1HE LYS 14 -9.094 5.568 -2.630
84 HE3 LYS 14 2HE LYS 14 -8.893 6.212 -4.259
85 HZ1 LYS 14 3HZ LYS 14 -10.870 6.872 -2.496
86 HZ2 LYS 14 1HZ LYS 14 -11.641 5.829 -3.582
87 HZ3 LYS 14 2HZ LYS 14 -10.857 7.215 -4.152
88 H CYS 15 H CYS 15 -5.873 1.903 -3.862
89 HA CYS 15 HA CYS 15 -5.122 -0.223 -5.663
90 HB2 CYS 15 1HB CYS 15 -4.140 0.227 -3.333
91 HB3 CYS 15 2HB CYS 15 -5.611 -0.508 -2.704
92 H ASN 16 H ASN 16 -6.573 -1.415 -6.690
93 HA ASN 16 HA ASN 16 -9.322 -1.496 -5.938
94 HB2 ASN 16 1HB ASN 16 -9.593 -3.018 -7.828
95 HB3 ASN 16 2HB ASN 16 -8.585 -1.650 -8.288
96 HD21 ASN 16 1HD2 ASN 16 -8.874 -4.963 -8.302
97 HD22 ASN 16 2HD2 ASN 16 -7.241 -5.374 -8.690
98 H GLU 17 H GLU 17 -6.724 -2.998 -4.614
99 HA GLU 17 HA GLU 17 -8.000 -5.566 -4.123
100 HB2 GLU 17 1HB GLU 17 -5.328 -4.421 -3.310
101 HB3 GLU 17 2HB GLU 17 -5.898 -5.999 -2.786
102 HG2 GLU 17 1HG GLU 17 -4.376 -6.140 -4.697
103 HG3 GLU 17 2HG GLU 17 -5.978 -6.775 -5.068
104 H CYS 18 H CYS 18 -6.620 -2.968 -2.101
105 HA CYS 18 HA CYS 18 -8.445 -3.784 0.055
106 HB2 CYS 18 1HB CYS 18 -6.926 -2.567 1.565
107 HB3 CYS 18 2HB CYS 18 -6.082 -3.824 0.667
108 H GLY 19 H GLY 19 -7.242 -0.963 -1.718
109 HA2 GLY 19 1HA GLY 19 -8.975 0.665 -2.389
110 HA3 GLY 19 2HA GLY 19 -9.614 0.517 -0.759
111 H LYS 20 H LYS 20 -6.189 0.553 -1.167
112 HA LYS 20 HA LYS 20 -6.004 3.002 0.346
113 HB2 LYS 20 1HB LYS 20 -4.489 0.828 0.400
114 HB3 LYS 20 2HB LYS 20 -3.606 1.689 -0.854
115 HG2 LYS 20 1HG LYS 20 -4.252 2.972 1.778
116 HG3 LYS 20 2HG LYS 20 -2.822 1.962 1.556
117 HD2 LYS 20 1HD LYS 20 -1.963 3.423 -0.127
118 HD3 LYS 20 2HD LYS 20 -3.472 4.337 -0.183
119 HE2 LYS 20 1HE LYS 20 -3.101 5.203 2.018
120 HE3 LYS 20 2HE LYS 20 -1.717 4.139 2.259
121 HZ1 LYS 20 3HZ LYS 20 -0.984 5.452 0.055
122 HZ2 LYS 20 1HZ LYS 20 -0.573 5.944 1.621
123 HZ3 LYS 20 2HZ LYS 20 -1.890 6.652 0.830
124 H ALA 21 H ALA 21 -5.781 4.979 -0.462
125 HA ALA 21 HA ALA 21 -5.216 5.266 -3.327
126 HB1 ALA 21 3HB ALA 21 -6.067 7.623 -2.935
127 HB2 ALA 21 1HB ALA 21 -7.246 6.322 -2.769
128 HB3 ALA 21 2HB ALA 21 -6.553 7.073 -1.331
129 H PHE 22 H PHE 22 -3.282 5.930 -3.966
130 HA PHE 22 HA PHE 22 -1.510 7.206 -2.003
131 HB2 PHE 22 1HB PHE 22 -0.769 5.935 -4.644
132 HB3 PHE 22 2HB PHE 22 0.339 6.475 -3.387
133 HD1 PHE 22 HD2 PHE 22 -2.440 4.084 -4.004
134 HD2 PHE 22 HD1 PHE 22 1.067 4.989 -1.769
135 HE1 PHE 22 HE2 PHE 22 -2.517 1.847 -2.983
136 HE2 PHE 22 HE1 PHE 22 0.996 2.753 -0.745
137 HZ PHE 22 HZ PHE 22 -0.798 1.179 -1.351
138 H ARG 23 H ARG 23 0.291 8.506 -3.454
139 HA ARG 23 HA ARG 23 -1.284 10.631 -4.720
140 HB2 ARG 23 1HB ARG 23 0.135 11.258 -2.800
141 HB3 ARG 23 2HB ARG 23 1.551 10.692 -3.675
142 HG2 ARG 23 1HG ARG 23 -0.162 12.743 -4.968
143 HG3 ARG 23 2HG ARG 23 0.872 13.237 -3.625
144 HD2 ARG 23 1HD ARG 23 1.994 11.610 -5.870
145 HD3 ARG 23 2HD ARG 23 1.774 13.348 -6.064
146 HE ARG 23 HE ARG 23 3.122 12.988 -3.676
147 HH11 ARG 23 1HH1 ARG 23 3.657 12.319 -7.050
148 HH12 ARG 23 2HH1 ARG 23 5.380 12.462 -6.939
149 HH21 ARG 23 1HH2 ARG 23 5.389 13.180 -3.517
150 HH22 ARG 23 2HH2 ARG 23 6.364 12.952 -4.929
151 H ALA 24 H ALA 24 1.353 8.399 -5.279
152 HA ALA 24 HA ALA 24 1.243 9.061 -8.131
153 HB1 ALA 24 3HB ALA 24 3.151 10.273 -7.576
154 HB2 ALA 24 1HB ALA 24 3.695 9.068 -6.409
155 HB3 ALA 24 2HB ALA 24 3.796 8.731 -8.138
156 H ARG 25 H ARG 25 2.721 7.367 -9.341
157 HA ARG 25 HA ARG 25 1.539 4.843 -8.933
158 HB2 ARG 25 1HB ARG 25 4.053 5.402 -10.509
159 HB3 ARG 25 2HB ARG 25 2.929 4.069 -10.733
160 HG2 ARG 25 1HG ARG 25 1.355 5.388 -11.769
161 HG3 ARG 25 2HG ARG 25 1.953 6.871 -11.021
162 HD2 ARG 25 1HD ARG 25 3.613 5.324 -12.984
163 HD3 ARG 25 2HD ARG 25 2.413 6.499 -13.521
164 HE ARG 25 HE ARG 25 3.830 7.948 -11.786
165 HH11 ARG 25 1HH1 ARG 25 4.837 5.821 -14.351
166 HH12 ARG 25 2HH1 ARG 25 6.298 6.693 -14.676
167 HH21 ARG 25 1HH2 ARG 25 5.751 9.104 -12.204
168 HH22 ARG 25 2HH2 ARG 25 6.818 8.560 -13.454
169 H SER 26 H SER 26 5.004 5.675 -8.719
170 HA SER 26 HA SER 26 6.062 3.443 -7.675
171 HB2 SER 26 1HB SER 26 7.255 5.634 -8.077
172 HB3 SER 26 2HB SER 26 6.685 6.155 -6.492
173 HG SER 26 HG SER 26 8.178 4.984 -5.599
174 H SER 27 H SER 27 4.406 5.922 -5.738
175 HA SER 27 HA SER 27 4.687 4.680 -3.248
176 HB2 SER 27 1HB SER 27 2.806 6.712 -4.378
177 HB3 SER 27 2HB SER 27 2.444 6.006 -2.803
178 HG SER 27 HG SER 27 5.046 6.896 -3.225
179 H LEU 28 H LEU 28 2.184 4.358 -5.723
180 HA LEU 28 HA LEU 28 0.479 2.672 -4.211
181 HB2 LEU 28 1HB LEU 28 -0.429 3.842 -6.069
182 HB3 LEU 28 2HB LEU 28 0.770 3.158 -7.165
183 HG LEU 28 HG LEU 28 -0.413 0.894 -6.409
184 HD11 LEU 28 1HD1 LEU 28 -2.083 1.508 -4.981
185 HD12 LEU 28 2HD1 LEU 28 -2.952 1.592 -6.512
186 HD13 LEU 28 3HD1 LEU 28 -2.336 3.067 -5.766
187 HD21 LEU 28 3HD2 LEU 28 -0.182 1.525 -8.695
188 HD22 LEU 28 1HD2 LEU 28 -1.346 2.838 -8.512
189 HD23 LEU 28 2HD2 LEU 28 -1.886 1.161 -8.417
190 H ALA 29 H ALA 29 2.934 1.999 -6.691
191 HA ALA 29 HA ALA 29 2.657 -0.758 -6.837
192 HB1 ALA 29 3HB ALA 29 4.732 1.193 -7.514
193 HB2 ALA 29 1HB ALA 29 5.341 -0.429 -7.181
194 HB3 ALA 29 2HB ALA 29 4.121 -0.183 -8.433
195 H ILE 30 H ILE 30 5.049 1.021 -4.870
196 HA ILE 30 HA ILE 30 6.300 -0.906 -3.508
197 HB ILE 30 HB ILE 30 5.112 1.564 -2.240
198 HG12 ILE 30 1HG1 ILE 30 7.971 1.207 -3.080
199 HG13 ILE 30 2HG1 ILE 30 6.757 1.678 -4.264
200 HG21 ILE 30 1HG2 ILE 30 7.577 0.571 -1.086
201 HG22 ILE 30 2HG2 ILE 30 6.066 1.028 -0.301
202 HG23 ILE 30 3HG2 ILE 30 6.264 -0.599 -0.952
203 HD11 ILE 30 3HD1 ILE 30 6.264 3.431 -2.245
204 HD12 ILE 30 1HD1 ILE 30 8.012 3.230 -2.134
205 HD13 ILE 30 2HD1 ILE 30 7.280 3.756 -3.650
206 H HIS 31 H HIS 31 2.971 0.103 -2.917
207 HA HIS 31 HA HIS 31 2.623 -1.661 -0.675
208 HB2 HIS 31 1HB HIS 31 1.232 0.212 -0.568
209 HB3 HIS 31 2HB HIS 31 0.806 0.115 -2.274
210 HD1 HIS 31 HD1 HIS 31 0.112 -1.661 0.997
211 HD2 HIS 31 HD2 HIS 31 -1.513 -1.230 -2.802
212 HE1 HIS 31 HE1 HIS 31 -2.133 -2.791 1.094
213 H GLN 32 H GLN 32 1.674 -1.670 -4.088
214 HA GLN 32 HA GLN 32 0.068 -3.895 -4.181
215 HB2 GLN 32 1HB GLN 32 2.120 -2.954 -6.186
216 HB3 GLN 32 2HB GLN 32 0.934 -4.209 -6.520
217 HG2 GLN 32 1HG GLN 32 0.232 -1.404 -5.694
218 HG3 GLN 32 2HG GLN 32 0.324 -1.954 -7.366
219 HE21 GLN 32 1HE2 GLN 32 -1.940 -1.173 -7.300
220 HE22 GLN 32 2HE2 GLN 32 -3.164 -2.290 -6.812
221 H ALA 33 H ALA 33 3.391 -3.748 -3.408
222 HA ALA 33 HA ALA 33 4.004 -6.476 -4.115
223 HB1 ALA 33 3HB ALA 33 6.165 -6.066 -3.181
224 HB2 ALA 33 1HB ALA 33 5.694 -4.640 -4.106
225 HB3 ALA 33 2HB ALA 33 5.590 -4.623 -2.345
226 H THR 34 H THR 34 1.905 -5.500 -1.993
227 HA THR 34 HA THR 34 2.796 -7.277 0.180
228 HB THR 34 HB THR 34 2.180 -4.792 0.632
229 HG1 THR 34 HG1 THR 34 0.805 -6.670 2.247
230 HG21 THR 34 3HG2 THR 34 0.053 -4.826 -0.600
231 HG22 THR 34 1HG2 THR 34 -0.185 -4.411 1.097
232 HG23 THR 34 2HG2 THR 34 -0.572 -6.033 0.524
233 H HIS 35 H HIS 35 0.186 -6.544 -2.047
234 HA HIS 35 HA HIS 35 -1.661 -8.434 -0.982
235 HB2 HIS 35 1HB HIS 35 -1.483 -6.906 -3.565
236 HB3 HIS 35 2HB HIS 35 -2.718 -8.139 -3.328
237 HD1 HIS 35 HD1 HIS 35 -4.320 -7.699 -1.170
238 HD2 HIS 35 HD2 HIS 35 -2.147 -4.457 -2.595
239 HE1 HIS 35 HE1 HIS 35 -5.444 -5.663 -0.214
240 H SER 36 H SER 36 -1.096 -10.520 -0.890
241 HA SER 36 HA SER 36 -0.057 -11.766 -3.351
242 HB2 SER 36 1HB SER 36 1.661 -11.709 -1.585
243 HB3 SER 36 2HB SER 36 0.565 -12.557 -0.494
244 HG SER 36 HG SER 36 2.055 -13.517 -2.616
245 H GLY 37 H GLY 37 -2.092 -12.382 -4.090
246 HA2 GLY 37 1HA GLY 37 -3.093 -14.829 -2.966
247 HA3 GLY 37 2HA GLY 37 -4.197 -13.481 -2.736
248 H GLU 38 H GLU 38 -5.173 -12.509 -4.552
249 HA GLU 38 HA GLU 38 -5.591 -14.349 -6.734
250 HB2 GLU 38 1HB GLU 38 -7.389 -12.932 -5.614
251 HB3 GLU 38 2HB GLU 38 -6.716 -11.563 -6.488
252 HG2 GLU 38 1HG GLU 38 -7.048 -13.060 -8.578
253 HG3 GLU 38 2HG GLU 38 -8.160 -13.953 -7.541
254 H LYS 39 H LYS 39 -2.959 -13.492 -6.707
255 HA LYS 39 HA LYS 39 -2.850 -11.912 -9.188
256 HB2 LYS 39 1HB LYS 39 -1.322 -11.542 -6.649
257 HB3 LYS 39 2HB LYS 39 -0.509 -11.206 -8.172
258 HG2 LYS 39 1HG LYS 39 -3.177 -9.996 -7.565
259 HG3 LYS 39 2HG LYS 39 -1.690 -9.283 -6.936
260 HD2 LYS 39 1HD LYS 39 -1.846 -9.953 -9.836
261 HD3 LYS 39 2HD LYS 39 -2.696 -8.522 -9.249
262 HE2 LYS 39 1HE LYS 39 -0.362 -8.094 -8.061
263 HE3 LYS 39 2HE LYS 39 0.218 -9.086 -9.398
264 HZ1 LYS 39 3HZ LYS 39 -0.224 -7.483 -10.895
265 HZ2 LYS 39 1HZ LYS 39 -0.099 -6.455 -9.556
266 HZ3 LYS 39 2HZ LYS 39 -1.621 -6.951 -10.102
267 HA PRO 40 HA PRO 40 -0.753 -15.978 -9.807
268 HB2 PRO 40 1HB PRO 40 -1.695 -16.323 -12.329
269 HB3 PRO 40 2HB PRO 40 -2.604 -16.801 -10.891
270 HG2 PRO 40 1HG PRO 40 -2.876 -14.339 -12.572
271 HG3 PRO 40 2HG PRO 40 -4.144 -15.371 -11.888
272 HD2 PRO 40 1HD PRO 40 -3.419 -13.016 -10.766
273 HD3 PRO 40 2HD PRO 40 -3.989 -14.396 -9.805
274 H SER 41 H SER 41 1.025 -16.474 -11.128
275 HA SER 41 HA SER 41 2.502 -14.204 -12.051
276 HB2 SER 41 1HB SER 41 4.210 -15.937 -12.699
277 HB3 SER 41 2HB SER 41 3.720 -15.994 -11.006
278 HG SER 41 HG SER 41 2.498 -17.603 -12.984
279 H GLY 42 H GLY 42 1.619 -13.259 -13.831
280 HA2 GLY 42 1HA GLY 42 1.828 -14.770 -16.320
281 HA3 GLY 42 2HA GLY 42 0.245 -14.117 -15.927
282 HA PRO 43 HA PRO 43 3.255 -10.376 -16.665
283 HB2 PRO 43 1HB PRO 43 5.550 -10.981 -17.981
284 HB3 PRO 43 2HB PRO 43 5.427 -10.975 -16.218
285 HG2 PRO 43 1HG PRO 43 5.318 -13.286 -18.118
286 HG3 PRO 43 2HG PRO 43 6.166 -13.153 -16.566
287 HD2 PRO 43 1HD PRO 43 3.796 -14.435 -16.824
288 HD3 PRO 43 2HD PRO 43 4.258 -13.572 -15.343
289 H SER 44 H SER 44 1.923 -9.555 -18.188
290 HA SER 44 HA SER 44 1.774 -10.748 -20.830
291 HB2 SER 44 1HB SER 44 -0.032 -9.196 -21.243
292 HB3 SER 44 2HB SER 44 -0.261 -9.899 -19.642
293 HG SER 44 HG SER 44 1.107 -7.847 -19.093
294 H SER 45 H SER 45 2.637 -9.940 -22.665
295 HA SER 45 HA SER 45 4.856 -8.256 -22.569
296 HB2 SER 45 1HB SER 45 4.607 -8.152 -25.070
297 HB3 SER 45 2HB SER 45 4.594 -9.786 -24.408
298 HG SER 45 HG SER 45 2.890 -9.076 -26.022
299 H GLY 46 H GLY 46 5.203 -6.109 -23.105
300 HA2 GLY 46 1HA GLY 46 4.455 -3.984 -23.944
301 HA3 GLY 46 2HA GLY 46 2.811 -4.447 -23.533
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -15.131 20.295 5.613
2 HA2 GLY 1 1HA GLY 1 -13.970 19.255 3.816
3 HA3 GLY 1 2HA GLY 1 -13.808 20.976 3.498
4 H SER 2 H SER 2 -11.830 21.150 2.623
5 HA SER 2 HA SER 2 -9.564 20.228 4.255
6 HB2 SER 2 1HB SER 2 -9.736 20.066 1.236
7 HB3 SER 2 2HB SER 2 -8.340 19.618 2.216
8 HG SER 2 HG SER 2 -10.764 18.423 2.865
9 H SER 3 H SER 3 -7.900 21.639 4.470
10 HA SER 3 HA SER 3 -7.898 24.064 2.820
11 HB2 SER 3 1HB SER 3 -7.480 25.433 4.867
12 HB3 SER 3 2HB SER 3 -9.086 24.704 4.831
13 HG SER 3 HG SER 3 -8.019 22.955 6.111
14 H GLY 4 H GLY 4 -5.875 25.126 2.673
15 HA2 GLY 4 1HA GLY 4 -3.601 25.058 2.311
16 HA3 GLY 4 2HA GLY 4 -3.543 24.614 4.011
17 H SER 5 H SER 5 -4.806 22.802 1.232
18 HA SER 5 HA SER 5 -3.519 20.405 2.096
19 HB2 SER 5 1HB SER 5 -4.457 19.412 0.059
20 HB3 SER 5 2HB SER 5 -5.673 20.377 0.895
21 HG SER 5 HG SER 5 -5.475 21.953 -0.625
22 H SER 6 H SER 6 -1.306 21.100 2.165
23 HA SER 6 HA SER 6 0.070 21.950 -0.180
24 HB2 SER 6 1HB SER 6 2.116 21.583 1.154
25 HB3 SER 6 2HB SER 6 0.908 22.500 2.054
26 HG SER 6 HG SER 6 1.815 20.844 3.329
27 H GLY 7 H GLY 7 -0.582 20.358 -1.727
28 HA2 GLY 7 1HA GLY 7 -0.274 18.460 -2.981
29 HA3 GLY 7 2HA GLY 7 1.305 18.366 -2.215
30 H THR 8 H THR 8 -2.055 17.924 -1.103
31 HA THR 8 HA THR 8 -1.266 15.705 0.559
32 HB THR 8 HB THR 8 -3.007 17.240 1.337
33 HG1 THR 8 HG1 THR 8 -3.974 14.608 0.811
34 HG21 THR 8 3HG2 THR 8 -5.121 17.460 0.300
35 HG22 THR 8 1HG2 THR 8 -4.812 16.110 -0.791
36 HG23 THR 8 2HG2 THR 8 -3.939 17.628 -0.997
37 H GLY 9 H GLY 9 -3.167 16.159 -2.399
38 HA2 GLY 9 1HA GLY 9 -2.816 14.362 -4.089
39 HA3 GLY 9 2HA GLY 9 -3.090 13.228 -2.775
40 H GLU 10 H GLU 10 -4.504 14.875 -5.324
41 HA GLU 10 HA GLU 10 -7.181 14.965 -4.235
42 HB2 GLU 10 1HB GLU 10 -6.064 15.509 -6.985
43 HB3 GLU 10 2HB GLU 10 -7.780 15.594 -6.615
44 HG2 GLU 10 1HG GLU 10 -7.040 17.232 -4.750
45 HG3 GLU 10 2HG GLU 10 -5.561 17.366 -5.700
46 H LYS 11 H LYS 11 -6.197 12.415 -4.009
47 HA LYS 11 HA LYS 11 -6.712 10.237 -4.415
48 HB2 LYS 11 1HB LYS 11 -9.089 11.622 -5.639
49 HB3 LYS 11 2HB LYS 11 -8.941 9.869 -5.647
50 HG2 LYS 11 1HG LYS 11 -8.940 9.792 -3.256
51 HG3 LYS 11 2HG LYS 11 -8.857 11.553 -3.153
52 HD2 LYS 11 1HD LYS 11 -11.109 11.088 -2.770
53 HD3 LYS 11 2HD LYS 11 -11.064 11.521 -4.481
54 HE2 LYS 11 1HE LYS 11 -10.741 8.661 -3.711
55 HE3 LYS 11 2HE LYS 11 -12.350 9.379 -3.643
56 HZ1 LYS 11 3HZ LYS 11 -10.904 9.945 -6.072
57 HZ2 LYS 11 1HZ LYS 11 -12.501 9.429 -5.857
58 HZ3 LYS 11 2HZ LYS 11 -11.239 8.303 -5.844
59 HA PRO 12 HA PRO 12 -5.104 10.816 -8.827
60 HB2 PRO 12 1HB PRO 12 -2.505 10.227 -8.308
61 HB3 PRO 12 2HB PRO 12 -3.152 11.870 -8.228
62 HG2 PRO 12 1HG PRO 12 -2.631 9.928 -6.010
63 HG3 PRO 12 2HG PRO 12 -2.291 11.667 -6.077
64 HD2 PRO 12 1HD PRO 12 -4.444 10.653 -4.785
65 HD3 PRO 12 2HD PRO 12 -4.468 12.240 -5.580
66 H TYR 13 H TYR 13 -3.873 8.503 -6.401
67 HA TYR 13 HA TYR 13 -4.418 6.341 -8.329
68 HB2 TYR 13 1HB TYR 13 -2.200 6.553 -6.286
69 HB3 TYR 13 2HB TYR 13 -2.572 5.086 -7.185
70 HD1 TYR 13 HD1 TYR 13 -1.370 8.566 -7.499
71 HD2 TYR 13 HD2 TYR 13 -1.848 4.807 -9.434
72 HE1 TYR 13 HE1 TYR 13 0.083 9.331 -9.331
73 HE2 TYR 13 HE2 TYR 13 -0.396 5.560 -11.270
74 HH TYR 13 HH TYR 13 1.660 7.743 -11.213
75 H LYS 14 H LYS 14 -5.262 4.402 -7.527
76 HA LYS 14 HA LYS 14 -5.921 4.174 -4.716
77 HB2 LYS 14 1HB LYS 14 -7.781 5.520 -5.467
78 HB3 LYS 14 2HB LYS 14 -8.059 4.449 -6.834
79 HG2 LYS 14 1HG LYS 14 -9.690 3.743 -5.401
80 HG3 LYS 14 2HG LYS 14 -8.379 2.645 -4.962
81 HD2 LYS 14 1HD LYS 14 -9.170 3.400 -2.904
82 HD3 LYS 14 2HD LYS 14 -7.764 4.424 -3.204
83 HE2 LYS 14 1HE LYS 14 -9.297 6.005 -2.578
84 HE3 LYS 14 2HE LYS 14 -9.557 5.990 -4.322
85 HZ1 LYS 14 3HZ LYS 14 -11.617 5.908 -2.940
86 HZ2 LYS 14 1HZ LYS 14 -11.155 4.364 -2.427
87 HZ3 LYS 14 2HZ LYS 14 -11.474 4.650 -4.063
88 H CYS 15 H CYS 15 -5.907 2.100 -4.095
89 HA CYS 15 HA CYS 15 -5.450 0.062 -6.095
90 HB2 CYS 15 1HB CYS 15 -4.112 0.118 -4.024
91 HB3 CYS 15 2HB CYS 15 -5.572 -0.156 -3.080
92 H ASN 16 H ASN 16 -7.073 -0.958 -7.049
93 HA ASN 16 HA ASN 16 -9.710 -1.002 -5.870
94 HB2 ASN 16 1HB ASN 16 -10.495 -1.652 -7.955
95 HB3 ASN 16 2HB ASN 16 -9.058 -0.730 -8.389
96 HD21 ASN 16 1HD2 ASN 16 -7.010 -2.142 -8.416
97 HD22 ASN 16 2HD2 ASN 16 -7.162 -3.647 -9.250
98 H GLU 17 H GLU 17 -7.810 -2.412 -4.344
99 HA GLU 17 HA GLU 17 -8.903 -5.134 -4.554
100 HB2 GLU 17 1HB GLU 17 -6.048 -4.456 -3.824
101 HB3 GLU 17 2HB GLU 17 -6.748 -6.067 -3.890
102 HG2 GLU 17 1HG GLU 17 -7.248 -5.514 -6.352
103 HG3 GLU 17 2HG GLU 17 -6.075 -4.217 -6.139
104 H CYS 18 H CYS 18 -7.217 -2.819 -2.448
105 HA CYS 18 HA CYS 18 -8.611 -4.015 -0.146
106 HB2 CYS 18 1HB CYS 18 -6.810 -2.932 1.228
107 HB3 CYS 18 2HB CYS 18 -6.236 -4.196 0.144
108 H GLY 19 H GLY 19 -7.463 -0.900 -1.440
109 HA2 GLY 19 1HA GLY 19 -9.308 0.803 -1.611
110 HA3 GLY 19 2HA GLY 19 -9.645 0.404 0.067
111 H LYS 20 H LYS 20 -6.440 0.726 -1.355
112 HA LYS 20 HA LYS 20 -5.908 2.913 0.529
113 HB2 LYS 20 1HB LYS 20 -4.405 1.047 0.771
114 HB3 LYS 20 2HB LYS 20 -4.058 1.040 -0.953
115 HG2 LYS 20 1HG LYS 20 -2.195 2.080 -0.127
116 HG3 LYS 20 2HG LYS 20 -3.217 3.470 -0.499
117 HD2 LYS 20 1HD LYS 20 -3.451 2.274 2.209
118 HD3 LYS 20 2HD LYS 20 -1.990 3.195 1.845
119 HE2 LYS 20 1HE LYS 20 -3.465 5.066 1.081
120 HE3 LYS 20 2HE LYS 20 -4.845 4.147 1.681
121 HZ1 LYS 20 3HZ LYS 20 -2.597 5.273 3.247
122 HZ2 LYS 20 1HZ LYS 20 -3.673 4.133 3.884
123 HZ3 LYS 20 2HZ LYS 20 -4.242 5.643 3.377
124 H ALA 21 H ALA 21 -4.904 4.827 -0.134
125 HA ALA 21 HA ALA 21 -4.859 5.300 -3.041
126 HB1 ALA 21 3HB ALA 21 -6.825 6.381 -2.307
127 HB2 ALA 21 1HB ALA 21 -6.020 7.047 -0.886
128 HB3 ALA 21 2HB ALA 21 -5.617 7.652 -2.494
129 H PHE 22 H PHE 22 -2.968 6.009 -3.767
130 HA PHE 22 HA PHE 22 -1.064 7.142 -1.831
131 HB2 PHE 22 1HB PHE 22 -0.419 5.921 -4.518
132 HB3 PHE 22 2HB PHE 22 0.713 6.343 -3.238
133 HD1 PHE 22 HD2 PHE 22 -2.314 4.223 -3.754
134 HD2 PHE 22 HD1 PHE 22 1.497 4.651 -1.907
135 HE1 PHE 22 HE2 PHE 22 -2.505 1.947 -2.841
136 HE2 PHE 22 HE1 PHE 22 1.313 2.374 -0.992
137 HZ PHE 22 HZ PHE 22 -0.691 1.020 -1.457
138 H ARG 23 H ARG 23 0.671 8.524 -3.121
139 HA ARG 23 HA ARG 23 -0.858 10.684 -4.345
140 HB2 ARG 23 1HB ARG 23 1.195 12.014 -4.038
141 HB3 ARG 23 2HB ARG 23 0.650 11.282 -2.535
142 HG2 ARG 23 1HG ARG 23 2.384 9.712 -2.536
143 HG3 ARG 23 2HG ARG 23 2.754 9.996 -4.238
144 HD2 ARG 23 1HD ARG 23 3.058 12.122 -2.133
145 HD3 ARG 23 2HD ARG 23 4.353 10.996 -2.537
146 HE ARG 23 HE ARG 23 3.573 12.078 -4.931
147 HH11 ARG 23 1HH1 ARG 23 4.749 13.318 -1.898
148 HH12 ARG 23 2HH1 ARG 23 5.520 14.696 -2.611
149 HH21 ARG 23 1HH2 ARG 23 4.585 13.888 -5.882
150 HH22 ARG 23 2HH2 ARG 23 5.426 15.019 -4.877
151 H ALA 24 H ALA 24 1.764 8.456 -5.090
152 HA ALA 24 HA ALA 24 1.496 9.202 -7.923
153 HB1 ALA 24 3HB ALA 24 3.557 10.194 -6.885
154 HB2 ALA 24 1HB ALA 24 4.140 8.547 -6.641
155 HB3 ALA 24 2HB ALA 24 3.846 9.147 -8.274
156 H ARG 25 H ARG 25 2.575 7.489 -9.350
157 HA ARG 25 HA ARG 25 1.336 5.003 -8.845
158 HB2 ARG 25 1HB ARG 25 1.688 5.720 -11.114
159 HB3 ARG 25 2HB ARG 25 3.425 5.821 -10.865
160 HG2 ARG 25 1HG ARG 25 3.218 3.840 -12.013
161 HG3 ARG 25 2HG ARG 25 3.236 3.287 -10.337
162 HD2 ARG 25 1HD ARG 25 1.486 2.146 -11.546
163 HD3 ARG 25 2HD ARG 25 0.770 3.237 -10.360
164 HE ARG 25 HE ARG 25 0.795 4.748 -12.579
165 HH11 ARG 25 1HH1 ARG 25 -0.291 1.496 -11.977
166 HH12 ARG 25 2HH1 ARG 25 -1.532 1.547 -13.186
167 HH21 ARG 25 1HH2 ARG 25 -0.835 4.828 -14.174
168 HH22 ARG 25 2HH2 ARG 25 -1.839 3.442 -14.435
169 H SER 26 H SER 26 4.804 5.829 -9.028
170 HA SER 26 HA SER 26 5.936 3.453 -8.347
171 HB2 SER 26 1HB SER 26 7.858 4.641 -7.655
172 HB3 SER 26 2HB SER 26 7.073 5.709 -8.819
173 HG SER 26 HG SER 26 6.843 5.872 -5.993
174 H SER 27 H SER 27 4.336 5.720 -6.191
175 HA SER 27 HA SER 27 5.100 4.443 -3.769
176 HB2 SER 27 1HB SER 27 4.068 6.839 -4.246
177 HB3 SER 27 2HB SER 27 2.551 5.992 -3.947
178 HG SER 27 HG SER 27 3.010 5.963 -1.902
179 H LEU 28 H LEU 28 2.449 4.030 -6.018
180 HA LEU 28 HA LEU 28 0.838 2.396 -4.343
181 HB2 LEU 28 1HB LEU 28 -0.198 3.482 -6.180
182 HB3 LEU 28 2HB LEU 28 0.955 2.793 -7.321
183 HG LEU 28 HG LEU 28 -0.046 0.533 -6.756
184 HD11 LEU 28 1HD1 LEU 28 -2.136 0.402 -5.689
185 HD12 LEU 28 2HD1 LEU 28 -2.356 2.151 -5.721
186 HD13 LEU 28 3HD1 LEU 28 -1.149 1.434 -4.654
187 HD21 LEU 28 3HD2 LEU 28 -2.104 2.341 -7.954
188 HD22 LEU 28 1HD2 LEU 28 -1.608 0.723 -8.450
189 HD23 LEU 28 2HD2 LEU 28 -0.553 2.102 -8.761
190 H ALA 29 H ALA 29 3.335 1.724 -6.746
191 HA ALA 29 HA ALA 29 3.065 -1.026 -6.974
192 HB1 ALA 29 3HB ALA 29 5.052 0.943 -7.623
193 HB2 ALA 29 1HB ALA 29 5.821 -0.524 -7.018
194 HB3 ALA 29 2HB ALA 29 4.720 -0.608 -8.394
195 H ILE 30 H ILE 30 5.402 0.650 -4.855
196 HA ILE 30 HA ILE 30 6.482 -1.352 -3.448
197 HB ILE 30 HB ILE 30 5.386 1.181 -2.223
198 HG12 ILE 30 1HG1 ILE 30 8.250 0.665 -2.959
199 HG13 ILE 30 2HG1 ILE 30 7.108 1.215 -4.181
200 HG21 ILE 30 1HG2 ILE 30 6.233 0.590 -0.250
201 HG22 ILE 30 2HG2 ILE 30 6.364 -1.044 -0.900
202 HG23 ILE 30 3HG2 ILE 30 7.745 0.050 -0.979
203 HD11 ILE 30 3HD1 ILE 30 8.468 3.001 -3.072
204 HD12 ILE 30 1HD1 ILE 30 6.722 3.242 -3.029
205 HD13 ILE 30 2HD1 ILE 30 7.568 2.665 -1.593
206 H HIS 31 H HIS 31 3.195 -0.148 -3.006
207 HA HIS 31 HA HIS 31 2.606 -1.774 -0.743
208 HB2 HIS 31 1HB HIS 31 1.174 0.036 -0.881
209 HB3 HIS 31 2HB HIS 31 1.013 -0.090 -2.631
210 HD1 HIS 31 HD1 HIS 31 0.070 -2.319 0.319
211 HD2 HIS 31 HD2 HIS 31 -1.465 -0.917 -3.278
212 HE1 HIS 31 HE1 HIS 31 -2.236 -3.305 0.142
213 H GLN 32 H GLN 32 1.829 -2.045 -4.203
214 HA GLN 32 HA GLN 32 0.314 -4.329 -4.203
215 HB2 GLN 32 1HB GLN 32 2.439 -3.556 -6.209
216 HB3 GLN 32 2HB GLN 32 1.171 -4.743 -6.485
217 HG2 GLN 32 1HG GLN 32 0.549 -1.903 -5.758
218 HG3 GLN 32 2HG GLN 32 0.829 -2.405 -7.425
219 HE21 GLN 32 1HE2 GLN 32 -1.570 -1.453 -5.804
220 HE22 GLN 32 2HE2 GLN 32 -2.808 -2.590 -6.202
221 H ALA 33 H ALA 33 3.624 -4.012 -3.376
222 HA ALA 33 HA ALA 33 4.291 -6.790 -3.821
223 HB1 ALA 33 3HB ALA 33 6.460 -6.250 -3.042
224 HB2 ALA 33 1HB ALA 33 5.925 -4.880 -4.015
225 HB3 ALA 33 2HB ALA 33 5.889 -4.779 -2.254
226 H THR 34 H THR 34 2.160 -5.723 -1.837
227 HA THR 34 HA THR 34 3.123 -7.227 0.509
228 HB THR 34 HB THR 34 1.563 -5.931 1.881
229 HG1 THR 34 HG1 THR 34 0.295 -5.447 -0.263
230 HG21 THR 34 3HG2 THR 34 3.873 -5.108 1.531
231 HG22 THR 34 1HG2 THR 34 2.724 -3.805 1.835
232 HG23 THR 34 2HG2 THR 34 3.291 -4.117 0.194
233 H HIS 35 H HIS 35 0.527 -6.759 -1.781
234 HA HIS 35 HA HIS 35 -1.460 -8.305 -0.551
235 HB2 HIS 35 1HB HIS 35 -0.885 -7.501 -3.378
236 HB3 HIS 35 2HB HIS 35 -2.148 -8.686 -3.058
237 HD1 HIS 35 HD1 HIS 35 -4.045 -7.802 -1.288
238 HD2 HIS 35 HD2 HIS 35 -1.717 -4.929 -3.181
239 HE1 HIS 35 HE1 HIS 35 -5.308 -5.642 -1.038
240 H SER 36 H SER 36 1.056 -9.221 -2.886
241 HA SER 36 HA SER 36 0.545 -11.756 -3.525
242 HB2 SER 36 1HB SER 36 2.904 -12.216 -3.599
243 HB3 SER 36 2HB SER 36 2.684 -10.511 -3.995
244 HG SER 36 HG SER 36 3.587 -9.942 -2.142
245 H GLY 37 H GLY 37 1.787 -10.762 -0.350
246 HA2 GLY 37 1HA GLY 37 1.500 -13.496 0.643
247 HA3 GLY 37 2HA GLY 37 2.239 -12.152 1.500
248 H GLU 38 H GLU 38 -0.336 -14.169 1.510
249 HA GLU 38 HA GLU 38 -2.543 -12.535 2.039
250 HB2 GLU 38 1HB GLU 38 -2.630 -14.992 1.629
251 HB3 GLU 38 2HB GLU 38 -1.966 -15.249 3.236
252 HG2 GLU 38 1HG GLU 38 -4.330 -15.573 3.318
253 HG3 GLU 38 2HG GLU 38 -3.932 -14.094 4.190
254 H LYS 39 H LYS 39 -2.020 -10.815 3.365
255 HA LYS 39 HA LYS 39 -1.471 -11.513 6.175
256 HB2 LYS 39 1HB LYS 39 -0.361 -9.262 6.343
257 HB3 LYS 39 2HB LYS 39 0.492 -10.436 5.349
258 HG2 LYS 39 1HG LYS 39 -0.073 -9.352 3.368
259 HG3 LYS 39 2HG LYS 39 -1.389 -8.452 4.126
260 HD2 LYS 39 1HD LYS 39 0.181 -6.799 4.023
261 HD3 LYS 39 2HD LYS 39 0.604 -7.495 5.589
262 HE2 LYS 39 1HE LYS 39 2.409 -8.722 4.646
263 HE3 LYS 39 2HE LYS 39 1.884 -8.356 3.003
264 HZ1 LYS 39 3HZ LYS 39 3.152 -6.555 4.971
265 HZ2 LYS 39 1HZ LYS 39 2.276 -5.940 3.660
266 HZ3 LYS 39 2HZ LYS 39 3.640 -6.903 3.389
267 HA PRO 40 HA PRO 40 -5.563 -9.378 5.946
268 HB2 PRO 40 1HB PRO 40 -6.746 -10.974 7.796
269 HB3 PRO 40 2HB PRO 40 -6.664 -11.390 6.080
270 HG2 PRO 40 1HG PRO 40 -4.942 -12.330 8.341
271 HG3 PRO 40 2HG PRO 40 -5.634 -13.261 7.000
272 HD2 PRO 40 1HD PRO 40 -3.055 -12.435 7.022
273 HD3 PRO 40 2HD PRO 40 -3.995 -12.592 5.524
274 H SER 41 H SER 41 -3.043 -9.604 8.067
275 HA SER 41 HA SER 41 -4.073 -8.809 10.533
276 HB2 SER 41 1HB SER 41 -1.411 -8.107 9.273
277 HB3 SER 41 2HB SER 41 -1.806 -7.905 10.980
278 HG SER 41 HG SER 41 -2.232 -10.419 9.864
279 H GLY 42 H GLY 42 -5.274 -7.096 10.998
280 HA2 GLY 42 1HA GLY 42 -4.579 -4.469 10.785
281 HA3 GLY 42 2HA GLY 42 -5.379 -4.808 9.258
282 HA PRO 43 HA PRO 43 -8.595 -5.297 12.881
283 HB2 PRO 43 1HB PRO 43 -7.956 -3.911 15.126
284 HB3 PRO 43 2HB PRO 43 -7.512 -5.604 14.884
285 HG2 PRO 43 1HG PRO 43 -5.853 -3.140 14.515
286 HG3 PRO 43 2HG PRO 43 -5.410 -4.685 15.265
287 HD2 PRO 43 1HD PRO 43 -4.697 -4.037 12.734
288 HD3 PRO 43 2HD PRO 43 -5.034 -5.707 13.233
289 H SER 44 H SER 44 -6.748 -2.246 13.035
290 HA SER 44 HA SER 44 -8.864 -0.790 11.757
291 HB2 SER 44 1HB SER 44 -8.237 -0.067 14.627
292 HB3 SER 44 2HB SER 44 -9.431 0.692 13.574
293 HG SER 44 HG SER 44 -9.991 -1.130 15.212
294 H SER 45 H SER 45 -8.312 1.695 11.969
295 HA SER 45 HA SER 45 -5.462 2.206 12.166
296 HB2 SER 45 1HB SER 45 -6.156 1.366 9.766
297 HB3 SER 45 2HB SER 45 -6.745 3.019 9.586
298 HG SER 45 HG SER 45 -4.366 2.320 9.120
299 H GLY 46 H GLY 46 -4.935 4.467 12.135
300 HA2 GLY 46 1HA GLY 46 -7.031 6.432 11.982
301 HA3 GLY 46 2HA GLY 46 -6.515 6.108 13.630
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -14.022 7.678 13.228
2 HA2 GLY 1 1HA GLY 1 -14.532 8.308 16.030
3 HA3 GLY 1 2HA GLY 1 -13.652 6.915 15.418
4 H SER 2 H SER 2 -11.582 6.929 15.947
5 HA SER 2 HA SER 2 -10.286 9.409 16.704
6 HB2 SER 2 1HB SER 2 -8.528 8.050 17.578
7 HB3 SER 2 2HB SER 2 -10.036 7.228 17.978
8 HG SER 2 HG SER 2 -9.230 5.585 16.966
9 H SER 3 H SER 3 -7.953 9.702 15.960
10 HA SER 3 HA SER 3 -6.480 10.181 14.293
11 HB2 SER 3 1HB SER 3 -6.737 7.586 14.058
12 HB3 SER 3 2HB SER 3 -7.625 7.993 12.589
13 HG SER 3 HG SER 3 -5.713 9.284 12.034
14 H GLY 4 H GLY 4 -8.842 11.642 14.349
15 HA2 GLY 4 1HA GLY 4 -10.403 11.859 12.123
16 HA3 GLY 4 2HA GLY 4 -9.844 13.252 13.037
17 H SER 5 H SER 5 -9.812 11.729 10.057
18 HA SER 5 HA SER 5 -7.369 12.176 8.924
19 HB2 SER 5 1HB SER 5 -10.040 12.759 7.620
20 HB3 SER 5 2HB SER 5 -8.522 12.445 6.778
21 HG SER 5 HG SER 5 -10.309 10.691 7.767
22 H SER 6 H SER 6 -6.907 13.949 7.221
23 HA SER 6 HA SER 6 -6.783 16.443 8.642
24 HB2 SER 6 1HB SER 6 -5.817 15.630 5.893
25 HB3 SER 6 2HB SER 6 -5.534 17.219 6.604
26 HG SER 6 HG SER 6 -4.186 16.353 8.054
27 H GLY 7 H GLY 7 -8.151 15.444 5.502
28 HA2 GLY 7 1HA GLY 7 -10.395 17.227 5.875
29 HA3 GLY 7 2HA GLY 7 -9.289 17.728 4.605
30 H THR 8 H THR 8 -9.557 16.900 2.629
31 HA THR 8 HA THR 8 -11.711 15.011 2.212
32 HB THR 8 HB THR 8 -9.932 16.256 0.112
33 HG1 THR 8 HG1 THR 8 -12.007 17.634 0.006
34 HG21 THR 8 3HG2 THR 8 -11.193 15.161 -1.363
35 HG22 THR 8 1HG2 THR 8 -12.665 15.814 -0.646
36 HG23 THR 8 2HG2 THR 8 -11.969 14.318 -0.023
37 H GLY 9 H GLY 9 -8.207 15.150 1.718
38 HA2 GLY 9 1HA GLY 9 -6.676 13.515 1.202
39 HA3 GLY 9 2HA GLY 9 -7.690 12.489 2.206
40 H GLU 10 H GLU 10 -7.138 13.624 -1.084
41 HA GLU 10 HA GLU 10 -8.227 11.087 -2.064
42 HB2 GLU 10 1HB GLU 10 -9.934 12.972 -2.236
43 HB3 GLU 10 2HB GLU 10 -8.863 13.701 -3.423
44 HG2 GLU 10 1HG GLU 10 -9.020 11.400 -4.605
45 HG3 GLU 10 2HG GLU 10 -10.462 11.189 -3.613
46 H LYS 11 H LYS 11 -6.971 10.150 -3.549
47 HA LYS 11 HA LYS 11 -4.893 11.796 -4.839
48 HB2 LYS 11 1HB LYS 11 -4.744 9.156 -3.478
49 HB3 LYS 11 2HB LYS 11 -3.749 9.381 -4.911
50 HG2 LYS 11 1HG LYS 11 -2.408 9.934 -3.046
51 HG3 LYS 11 2HG LYS 11 -2.838 11.456 -3.831
52 HD2 LYS 11 1HD LYS 11 -4.636 11.775 -2.180
53 HD3 LYS 11 2HD LYS 11 -4.153 10.276 -1.383
54 HE2 LYS 11 1HE LYS 11 -1.852 11.330 -1.139
55 HE3 LYS 11 2HE LYS 11 -2.611 12.849 -1.613
56 HZ1 LYS 11 3HZ LYS 11 -4.198 12.468 0.269
57 HZ2 LYS 11 1HZ LYS 11 -2.601 12.784 0.732
58 HZ3 LYS 11 2HZ LYS 11 -3.199 11.203 0.780
59 HA PRO 12 HA PRO 12 -6.262 10.394 -8.765
60 HB2 PRO 12 1HB PRO 12 -3.924 10.134 -10.120
61 HB3 PRO 12 2HB PRO 12 -4.617 11.702 -9.692
62 HG2 PRO 12 1HG PRO 12 -2.441 10.158 -8.334
63 HG3 PRO 12 2HG PRO 12 -2.528 11.894 -8.688
64 HD2 PRO 12 1HD PRO 12 -3.072 10.877 -6.238
65 HD3 PRO 12 2HD PRO 12 -3.882 12.324 -6.873
66 H TYR 13 H TYR 13 -3.740 8.502 -7.199
67 HA TYR 13 HA TYR 13 -4.581 6.138 -8.733
68 HB2 TYR 13 1HB TYR 13 -2.024 6.794 -7.280
69 HB3 TYR 13 2HB TYR 13 -2.418 5.154 -7.783
70 HD1 TYR 13 HD2 TYR 13 -3.014 4.858 -10.311
71 HD2 TYR 13 HD1 TYR 13 -0.879 8.186 -8.740
72 HE1 TYR 13 HE2 TYR 13 -2.100 5.320 -12.547
73 HE2 TYR 13 HE1 TYR 13 0.040 8.658 -10.971
74 HH TYR 13 HH TYR 13 -0.971 6.803 -13.804
75 H LYS 14 H LYS 14 -5.442 4.401 -7.736
76 HA LYS 14 HA LYS 14 -5.428 4.296 -4.806
77 HB2 LYS 14 1HB LYS 14 -7.791 4.575 -6.580
78 HB3 LYS 14 2HB LYS 14 -7.936 3.439 -5.246
79 HG2 LYS 14 1HG LYS 14 -7.878 5.071 -3.663
80 HG3 LYS 14 2HG LYS 14 -6.874 6.141 -4.644
81 HD2 LYS 14 1HD LYS 14 -8.671 6.992 -5.797
82 HD3 LYS 14 2HD LYS 14 -9.651 5.544 -5.550
83 HE2 LYS 14 1HE LYS 14 -9.773 6.166 -3.120
84 HE3 LYS 14 2HE LYS 14 -9.008 7.697 -3.542
85 HZ1 LYS 14 3HZ LYS 14 -11.554 7.582 -3.421
86 HZ2 LYS 14 1HZ LYS 14 -11.458 6.817 -4.927
87 HZ3 LYS 14 2HZ LYS 14 -10.850 8.383 -4.734
88 H CYS 15 H CYS 15 -5.682 2.220 -3.921
89 HA CYS 15 HA CYS 15 -4.835 0.090 -5.689
90 HB2 CYS 15 1HB CYS 15 -4.043 0.609 -3.238
91 HB3 CYS 15 2HB CYS 15 -5.465 -0.328 -2.790
92 H ASN 16 H ASN 16 -6.420 -0.757 -6.905
93 HA ASN 16 HA ASN 16 -9.130 -0.908 -6.228
94 HB2 ASN 16 1HB ASN 16 -8.764 -1.154 -8.499
95 HB3 ASN 16 2HB ASN 16 -7.399 -2.243 -8.269
96 HD21 ASN 16 1HD2 ASN 16 -7.736 -4.401 -8.185
97 HD22 ASN 16 2HD2 ASN 16 -9.278 -5.147 -8.406
98 H GLU 17 H GLU 17 -6.544 -2.625 -4.967
99 HA GLU 17 HA GLU 17 -7.955 -5.093 -4.454
100 HB2 GLU 17 1HB GLU 17 -5.329 -4.088 -3.343
101 HB3 GLU 17 2HB GLU 17 -5.952 -5.725 -3.187
102 HG2 GLU 17 1HG GLU 17 -5.993 -5.661 -5.788
103 HG3 GLU 17 2HG GLU 17 -4.843 -4.342 -5.582
104 H CYS 18 H CYS 18 -6.706 -2.420 -2.457
105 HA CYS 18 HA CYS 18 -8.574 -3.239 -0.335
106 HB2 CYS 18 1HB CYS 18 -7.097 -1.907 1.183
107 HB3 CYS 18 2HB CYS 18 -6.298 -3.290 0.444
108 H GLY 19 H GLY 19 -7.285 -0.431 -2.073
109 HA2 GLY 19 1HA GLY 19 -9.029 1.170 -2.834
110 HA3 GLY 19 2HA GLY 19 -9.677 1.073 -1.203
111 H LYS 20 H LYS 20 -6.318 0.978 -1.180
112 HA LYS 20 HA LYS 20 -6.024 3.360 0.242
113 HB2 LYS 20 1HB LYS 20 -4.091 1.585 -1.218
114 HB3 LYS 20 2HB LYS 20 -3.542 3.081 -0.473
115 HG2 LYS 20 1HG LYS 20 -5.145 1.216 1.186
116 HG3 LYS 20 2HG LYS 20 -3.480 0.771 0.805
117 HD2 LYS 20 1HD LYS 20 -3.118 1.964 2.717
118 HD3 LYS 20 2HD LYS 20 -3.034 3.278 1.542
119 HE2 LYS 20 1HE LYS 20 -5.692 2.582 2.676
120 HE3 LYS 20 2HE LYS 20 -4.546 3.424 3.717
121 HZ1 LYS 20 3HZ LYS 20 -4.703 4.596 1.116
122 HZ2 LYS 20 1HZ LYS 20 -4.885 5.319 2.635
123 HZ3 LYS 20 2HZ LYS 20 -6.209 4.578 1.887
124 H ALA 21 H ALA 21 -4.248 5.026 -0.589
125 HA ALA 21 HA ALA 21 -4.788 5.809 -3.354
126 HB1 ALA 21 3HB ALA 21 -6.084 7.015 -1.165
127 HB2 ALA 21 1HB ALA 21 -4.879 8.167 -1.742
128 HB3 ALA 21 2HB ALA 21 -6.094 7.530 -2.852
129 H PHE 22 H PHE 22 -2.925 6.256 -4.311
130 HA PHE 22 HA PHE 22 -0.717 7.310 -2.668
131 HB2 PHE 22 1HB PHE 22 -0.418 5.618 -5.154
132 HB3 PHE 22 2HB PHE 22 0.850 6.100 -4.031
133 HD1 PHE 22 HD2 PHE 22 -2.361 4.213 -4.119
134 HD2 PHE 22 HD1 PHE 22 1.501 4.634 -2.380
135 HE1 PHE 22 HE2 PHE 22 -2.716 2.143 -2.838
136 HE2 PHE 22 HE1 PHE 22 1.152 2.564 -1.097
137 HZ PHE 22 HZ PHE 22 -0.959 1.316 -1.323
138 H ARG 23 H ARG 23 0.440 9.028 -3.433
139 HA ARG 23 HA ARG 23 -0.787 10.815 -5.193
140 HB2 ARG 23 1HB ARG 23 1.360 12.055 -5.125
141 HB3 ARG 23 2HB ARG 23 0.786 11.588 -3.530
142 HG2 ARG 23 1HG ARG 23 2.350 9.689 -3.547
143 HG3 ARG 23 2HG ARG 23 2.953 10.227 -5.116
144 HD2 ARG 23 1HD ARG 23 3.362 12.481 -3.902
145 HD3 ARG 23 2HD ARG 23 3.242 11.517 -2.431
146 HE ARG 23 HE ARG 23 5.062 10.378 -4.305
147 HH11 ARG 23 1HH1 ARG 23 4.720 12.860 -1.888
148 HH12 ARG 23 2HH1 ARG 23 6.411 12.916 -1.519
149 HH21 ARG 23 1HH2 ARG 23 7.292 10.443 -3.828
150 HH22 ARG 23 2HH2 ARG 23 7.874 11.541 -2.624
151 H ALA 24 H ALA 24 1.732 8.412 -5.734
152 HA ALA 24 HA ALA 24 1.351 8.763 -8.625
153 HB1 ALA 24 3HB ALA 24 3.516 9.825 -7.569
154 HB2 ALA 24 1HB ALA 24 4.095 8.161 -7.640
155 HB3 ALA 24 2HB ALA 24 3.576 8.979 -9.115
156 H ARG 25 H ARG 25 2.600 6.869 -9.782
157 HA ARG 25 HA ARG 25 1.348 4.471 -8.961
158 HB2 ARG 25 1HB ARG 25 3.614 4.796 -10.935
159 HB3 ARG 25 2HB ARG 25 2.509 3.432 -10.824
160 HG2 ARG 25 1HG ARG 25 0.791 4.561 -11.813
161 HG3 ARG 25 2HG ARG 25 1.362 6.136 -11.261
162 HD2 ARG 25 1HD ARG 25 3.037 4.617 -13.195
163 HD3 ARG 25 2HD ARG 25 1.568 5.393 -13.788
164 HE ARG 25 HE ARG 25 2.961 7.280 -12.293
165 HH11 ARG 25 1HH1 ARG 25 3.390 5.433 -15.214
166 HH12 ARG 25 2HH1 ARG 25 4.384 6.628 -15.978
167 HH21 ARG 25 1HH2 ARG 25 4.270 8.860 -13.289
168 HH22 ARG 25 2HH2 ARG 25 4.885 8.577 -14.882
169 H SER 26 H SER 26 4.795 5.380 -9.067
170 HA SER 26 HA SER 26 5.995 3.165 -8.080
171 HB2 SER 26 1HB SER 26 6.549 6.071 -7.508
172 HB3 SER 26 2HB SER 26 7.572 4.794 -6.849
173 HG SER 26 HG SER 26 7.938 5.852 -9.107
174 H SER 27 H SER 27 4.344 5.636 -6.146
175 HA SER 27 HA SER 27 4.887 4.434 -3.636
176 HB2 SER 27 1HB SER 27 2.809 6.440 -4.522
177 HB3 SER 27 2HB SER 27 2.980 5.914 -2.848
178 HG SER 27 HG SER 27 4.353 7.527 -2.815
179 H LEU 28 H LEU 28 2.388 3.999 -6.032
180 HA LEU 28 HA LEU 28 0.603 2.538 -4.344
181 HB2 LEU 28 1HB LEU 28 -0.364 3.599 -6.208
182 HB3 LEU 28 2HB LEU 28 0.827 2.917 -7.314
183 HG LEU 28 HG LEU 28 -0.268 0.643 -6.624
184 HD11 LEU 28 1HD1 LEU 28 -2.860 1.399 -6.476
185 HD12 LEU 28 2HD1 LEU 28 -2.092 2.653 -5.503
186 HD13 LEU 28 3HD1 LEU 28 -1.872 0.954 -5.084
187 HD21 LEU 28 3HD2 LEU 28 -1.898 0.916 -8.467
188 HD22 LEU 28 1HD2 LEU 28 -0.283 1.497 -8.876
189 HD23 LEU 28 2HD2 LEU 28 -1.558 2.647 -8.472
190 H ALA 29 H ALA 29 3.000 1.636 -6.801
191 HA ALA 29 HA ALA 29 2.586 -1.121 -6.786
192 HB1 ALA 29 3HB ALA 29 5.173 -1.071 -7.350
193 HB2 ALA 29 1HB ALA 29 3.957 -0.514 -8.500
194 HB3 ALA 29 2HB ALA 29 4.849 0.653 -7.524
195 H ILE 30 H ILE 30 5.149 0.659 -5.047
196 HA ILE 30 HA ILE 30 6.338 -1.253 -3.600
197 HB ILE 30 HB ILE 30 5.398 1.385 -2.470
198 HG12 ILE 30 1HG1 ILE 30 8.121 0.690 -3.567
199 HG13 ILE 30 2HG1 ILE 30 6.848 1.376 -4.570
200 HG21 ILE 30 1HG2 ILE 30 7.747 -0.209 -1.500
201 HG22 ILE 30 2HG2 ILE 30 6.922 1.135 -0.713
202 HG23 ILE 30 3HG2 ILE 30 6.132 -0.437 -0.831
203 HD11 ILE 30 3HD1 ILE 30 8.626 2.661 -2.680
204 HD12 ILE 30 1HD1 ILE 30 7.662 3.354 -3.984
205 HD13 ILE 30 2HD1 ILE 30 6.933 3.069 -2.403
206 H HIS 31 H HIS 31 3.091 -0.041 -3.039
207 HA HIS 31 HA HIS 31 2.736 -1.530 -0.599
208 HB2 HIS 31 1HB HIS 31 1.456 0.430 -0.661
209 HB3 HIS 31 2HB HIS 31 0.944 0.156 -2.323
210 HD1 HIS 31 HD1 HIS 31 0.406 -1.393 1.108
211 HD2 HIS 31 HD2 HIS 31 -1.537 -0.912 -2.533
212 HE1 HIS 31 HE1 HIS 31 -1.902 -2.333 1.448
213 H GLN 32 H GLN 32 1.609 -1.807 -3.952
214 HA GLN 32 HA GLN 32 -0.074 -3.969 -3.743
215 HB2 GLN 32 1HB GLN 32 1.883 -3.364 -5.966
216 HB3 GLN 32 2HB GLN 32 0.536 -4.488 -6.091
217 HG2 GLN 32 1HG GLN 32 0.159 -1.593 -5.397
218 HG3 GLN 32 2HG GLN 32 0.194 -2.179 -7.059
219 HE21 GLN 32 1HE2 GLN 32 -1.979 -1.275 -7.111
220 HE22 GLN 32 2HE2 GLN 32 -3.300 -2.240 -6.556
221 H ALA 33 H ALA 33 3.319 -3.880 -3.265
222 HA ALA 33 HA ALA 33 3.800 -6.670 -3.757
223 HB1 ALA 33 3HB ALA 33 6.016 -6.258 -3.198
224 HB2 ALA 33 1HB ALA 33 5.482 -4.718 -3.874
225 HB3 ALA 33 2HB ALA 33 5.601 -4.921 -2.125
226 H THR 34 H THR 34 1.899 -5.407 -1.563
227 HA THR 34 HA THR 34 2.859 -7.056 0.677
228 HB THR 34 HB THR 34 1.435 -5.747 2.136
229 HG1 THR 34 HG1 THR 34 -0.075 -4.426 1.383
230 HG21 THR 34 3HG2 THR 34 3.249 -4.220 0.297
231 HG22 THR 34 1HG2 THR 34 3.535 -4.740 1.957
232 HG23 THR 34 2HG2 THR 34 2.419 -3.415 1.627
233 H HIS 35 H HIS 35 0.178 -6.487 -1.498
234 HA HIS 35 HA HIS 35 -1.757 -8.073 -0.208
235 HB2 HIS 35 1HB HIS 35 -1.371 -7.166 -3.047
236 HB3 HIS 35 2HB HIS 35 -2.676 -8.273 -2.630
237 HD1 HIS 35 HD1 HIS 35 -4.211 -7.278 -0.510
238 HD2 HIS 35 HD2 HIS 35 -2.122 -4.582 -2.882
239 HE1 HIS 35 HE1 HIS 35 -5.324 -5.054 -0.139
240 H SER 36 H SER 36 -0.347 -9.855 0.482
241 HA SER 36 HA SER 36 -0.588 -12.082 -1.338
242 HB2 SER 36 1HB SER 36 2.110 -11.041 -0.474
243 HB3 SER 36 2HB SER 36 1.865 -12.708 -0.996
244 HG SER 36 HG SER 36 0.858 -10.716 -2.651
245 H GLY 37 H GLY 37 -1.186 -13.815 -0.211
246 HA2 GLY 37 1HA GLY 37 -0.390 -15.251 1.738
247 HA3 GLY 37 2HA GLY 37 -0.674 -13.805 2.695
248 H GLU 38 H GLU 38 -3.054 -12.902 1.632
249 HA GLU 38 HA GLU 38 -4.895 -14.780 2.821
250 HB2 GLU 38 1HB GLU 38 -5.095 -11.970 1.799
251 HB3 GLU 38 2HB GLU 38 -6.559 -12.897 2.094
252 HG2 GLU 38 1HG GLU 38 -4.414 -12.384 4.141
253 HG3 GLU 38 2HG GLU 38 -5.906 -11.457 3.986
254 H LYS 39 H LYS 39 -6.345 -16.049 1.810
255 HA LYS 39 HA LYS 39 -6.367 -15.978 -1.134
256 HB2 LYS 39 1HB LYS 39 -6.853 -18.291 0.752
257 HB3 LYS 39 2HB LYS 39 -7.025 -18.376 -0.996
258 HG2 LYS 39 1HG LYS 39 -4.611 -17.696 -1.161
259 HG3 LYS 39 2HG LYS 39 -4.510 -17.923 0.587
260 HD2 LYS 39 1HD LYS 39 -5.250 -20.258 0.299
261 HD3 LYS 39 2HD LYS 39 -5.275 -20.017 -1.450
262 HE2 LYS 39 1HE LYS 39 -3.197 -20.933 -1.216
263 HE3 LYS 39 2HE LYS 39 -2.792 -19.228 -1.022
264 HZ1 LYS 39 3HZ LYS 39 -1.998 -21.054 0.685
265 HZ2 LYS 39 1HZ LYS 39 -3.503 -20.723 1.384
266 HZ3 LYS 39 2HZ LYS 39 -2.374 -19.480 1.177
267 HA PRO 40 HA PRO 40 -10.635 -14.829 0.385
268 HB2 PRO 40 1HB PRO 40 -10.876 -12.619 -1.173
269 HB3 PRO 40 2HB PRO 40 -10.149 -12.584 0.437
270 HG2 PRO 40 1HG PRO 40 -8.816 -12.677 -2.241
271 HG3 PRO 40 2HG PRO 40 -8.398 -11.706 -0.817
272 HD2 PRO 40 1HD PRO 40 -7.080 -13.980 -1.468
273 HD3 PRO 40 2HD PRO 40 -7.309 -13.458 0.213
274 H SER 41 H SER 41 -12.535 -14.192 -1.172
275 HA SER 41 HA SER 41 -12.903 -16.301 -2.970
276 HB2 SER 41 1HB SER 41 -14.645 -14.753 -1.811
277 HB3 SER 41 2HB SER 41 -14.428 -13.724 -3.227
278 HG SER 41 HG SER 41 -16.115 -15.529 -3.186
279 H GLY 42 H GLY 42 -11.968 -16.630 -4.869
280 HA2 GLY 42 1HA GLY 42 -12.088 -15.359 -7.167
281 HA3 GLY 42 2HA GLY 42 -10.899 -14.348 -6.358
282 HA PRO 43 HA PRO 43 -8.999 -18.769 -7.104
283 HB2 PRO 43 1HB PRO 43 -10.139 -20.129 -9.159
284 HB3 PRO 43 2HB PRO 43 -10.663 -20.308 -7.480
285 HG2 PRO 43 1HG PRO 43 -11.866 -18.666 -9.675
286 HG3 PRO 43 2HG PRO 43 -12.673 -19.683 -8.468
287 HD2 PRO 43 1HD PRO 43 -12.514 -16.990 -8.232
288 HD3 PRO 43 2HD PRO 43 -12.521 -18.073 -6.825
289 H SER 44 H SER 44 -7.505 -19.453 -8.785
290 HA SER 44 HA SER 44 -7.399 -17.700 -11.135
291 HB2 SER 44 1HB SER 44 -5.933 -16.631 -9.540
292 HB3 SER 44 2HB SER 44 -5.140 -18.164 -9.175
293 HG SER 44 HG SER 44 -4.386 -16.440 -10.951
294 H SER 45 H SER 45 -7.329 -18.945 -12.871
295 HA SER 45 HA SER 45 -7.060 -20.781 -14.206
296 HB2 SER 45 1HB SER 45 -4.691 -19.708 -13.869
297 HB3 SER 45 2HB SER 45 -4.361 -21.181 -12.957
298 HG SER 45 HG SER 45 -4.609 -20.810 -15.656
299 H GLY 46 H GLY 46 -8.457 -21.420 -11.902
300 HA2 GLY 46 1HA GLY 46 -7.533 -23.499 -10.331
301 HA3 GLY 46 2HA GLY 46 -9.215 -23.284 -10.792