Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505088 | 2eom RC | 10189 | 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 -17.128 -3.903 -17.116
2 HA2 GLY 1 1HA GLY 1 -17.499 -3.839 -19.800
3 HA3 GLY 1 2HA GLY 1 -17.958 -2.216 -19.308
4 H SER 2 H SER 2 -15.918 -2.429 -21.033
5 HA SER 2 HA SER 2 -13.350 -2.809 -20.084
6 HB2 SER 2 1HB SER 2 -13.643 -2.456 -22.419
7 HB3 SER 2 2HB SER 2 -14.424 -0.896 -22.159
8 HG SER 2 HG SER 2 -11.769 -1.516 -22.317
9 H SER 3 H SER 3 -12.804 -2.051 -18.109
10 HA SER 3 HA SER 3 -12.129 0.685 -17.822
11 HB2 SER 3 1HB SER 3 -14.582 0.865 -17.464
12 HB3 SER 3 2HB SER 3 -14.444 -0.259 -16.112
13 HG SER 3 HG SER 3 -13.372 1.238 -14.954
14 H GLY 4 H GLY 4 -11.058 1.138 -15.789
15 HA2 GLY 4 1HA GLY 4 -10.698 -0.832 -13.783
16 HA3 GLY 4 2HA GLY 4 -9.369 -0.899 -14.931
17 H SER 5 H SER 5 -7.924 -0.289 -13.256
18 HA SER 5 HA SER 5 -8.252 2.317 -12.028
19 HB2 SER 5 1HB SER 5 -6.204 0.123 -11.764
20 HB3 SER 5 2HB SER 5 -5.954 1.709 -11.035
21 HG SER 5 HG SER 5 -7.576 1.357 -9.660
22 H SER 6 H SER 6 -8.090 3.779 -13.718
23 HA SER 6 HA SER 6 -5.978 3.733 -15.625
24 HB2 SER 6 1HB SER 6 -8.312 4.903 -15.739
25 HB3 SER 6 2HB SER 6 -7.487 6.234 -14.928
26 HG SER 6 HG SER 6 -7.483 6.305 -17.282
27 H GLY 7 H GLY 7 -6.558 5.593 -12.658
28 HA2 GLY 7 1HA GLY 7 -5.154 6.877 -11.371
29 HA3 GLY 7 2HA GLY 7 -3.916 5.723 -11.844
30 H HIS 8 H HIS 8 -2.477 6.236 -13.481
31 HA HIS 8 HA HIS 8 -1.110 7.631 -14.654
32 HB2 HIS 8 1HB HIS 8 -3.391 7.559 -15.990
33 HB3 HIS 8 2HB HIS 8 -3.462 9.256 -15.525
34 HD2 HIS 8 HD2 HIS 8 -1.539 10.911 -16.748
35 HE1 HIS 8 HE1 HIS 8 -0.165 7.955 -19.464
36 HE2 HIS 8 HE2 HIS 8 -0.052 10.381 -18.797
37 H GLY 9 H GLY 9 -1.293 8.322 -11.996
38 HA2 GLY 9 1HA GLY 9 -1.060 11.258 -12.159
39 HA3 GLY 9 2HA GLY 9 -1.906 10.500 -10.819
40 H GLU 10 H GLU 10 1.187 11.181 -12.250
41 HA GLU 10 HA GLU 10 2.650 9.763 -10.188
42 HB2 GLU 10 1HB GLU 10 4.655 10.629 -11.339
43 HB3 GLU 10 2HB GLU 10 3.570 9.781 -12.432
44 HG2 GLU 10 1HG GLU 10 2.662 12.001 -13.124
45 HG3 GLU 10 2HG GLU 10 3.937 12.753 -12.166
46 H ARG 11 H ARG 11 0.979 11.624 -9.050
47 HA ARG 11 HA ARG 11 2.914 13.559 -7.976
48 HB2 ARG 11 1HB ARG 11 1.493 14.828 -9.449
49 HB3 ARG 11 2HB ARG 11 0.048 14.104 -8.756
50 HG2 ARG 11 1HG ARG 11 0.074 16.163 -7.744
51 HG3 ARG 11 2HG ARG 11 0.901 15.169 -6.543
52 HD2 ARG 11 1HD ARG 11 2.085 17.262 -6.866
53 HD3 ARG 11 2HD ARG 11 3.062 15.909 -7.437
54 HE ARG 11 HE ARG 11 2.941 16.760 -9.561
55 HH11 ARG 11 1HH1 ARG 11 0.554 18.316 -7.562
56 HH12 ARG 11 2HH1 ARG 11 0.135 19.499 -8.757
57 HH21 ARG 11 1HH2 ARG 11 2.399 18.311 -11.143
58 HH22 ARG 11 2HH2 ARG 11 1.184 19.495 -10.793
59 H GLY 12 H GLY 12 3.276 12.458 -6.088
60 HA2 GLY 12 1HA GLY 12 2.864 12.054 -3.847
61 HA3 GLY 12 2HA GLY 12 1.236 12.674 -4.073
62 H HIS 13 H HIS 13 0.540 10.931 -2.694
63 HA HIS 13 HA HIS 13 -0.041 8.533 -4.240
64 HB2 HIS 13 1HB HIS 13 1.187 8.364 -1.481
65 HB3 HIS 13 2HB HIS 13 0.680 7.009 -2.486
66 HD2 HIS 13 HD2 HIS 13 3.445 9.834 -2.649
67 HE1 HIS 13 HE1 HIS 13 4.765 6.416 -4.789
68 HE2 HIS 13 HE2 HIS 13 5.396 8.687 -3.902
69 H ARG 14 H ARG 14 -2.171 8.337 -4.149
70 HA ARG 14 HA ARG 14 -3.602 9.302 -1.781
71 HB2 ARG 14 1HB ARG 14 -4.357 10.191 -3.921
72 HB3 ARG 14 2HB ARG 14 -4.604 8.561 -4.535
73 HG2 ARG 14 1HG ARG 14 -6.189 8.402 -2.421
74 HG3 ARG 14 2HG ARG 14 -6.244 10.151 -2.648
75 HD2 ARG 14 1HD ARG 14 -8.060 8.991 -3.837
76 HD3 ARG 14 2HD ARG 14 -6.989 9.863 -4.933
77 HE ARG 14 HE ARG 14 -6.297 7.093 -4.579
78 HH11 ARG 14 1HH1 ARG 14 -8.225 9.366 -6.378
79 HH12 ARG 14 2HH1 ARG 14 -8.384 8.336 -7.762
80 HH21 ARG 14 1HH2 ARG 14 -6.499 5.727 -6.395
81 HH22 ARG 14 2HH2 ARG 14 -7.402 6.266 -7.770
82 H CYS 15 H CYS 15 -4.937 8.014 -0.568
83 HA CYS 15 HA CYS 15 -4.450 5.160 -0.760
84 HB2 CYS 15 1HB CYS 15 -4.319 6.242 1.431
85 HB3 CYS 15 2HB CYS 15 -5.990 6.777 1.282
86 H SER 16 H SER 16 -6.123 3.580 -0.792
87 HA SER 16 HA SER 16 -8.519 4.502 -2.224
88 HB2 SER 16 1HB SER 16 -7.307 2.932 -3.548
89 HB3 SER 16 2HB SER 16 -7.094 1.839 -2.181
90 HG SER 16 HG SER 16 -8.778 1.224 -3.681
91 H ASP 17 H ASP 17 -7.403 2.786 0.589
92 HA ASP 17 HA ASP 17 -9.777 1.500 1.342
93 HB2 ASP 17 1HB ASP 17 -7.294 2.361 2.738
94 HB3 ASP 17 2HB ASP 17 -8.690 1.975 3.741
95 H CYS 18 H CYS 18 -8.512 4.696 2.264
96 HA CYS 18 HA CYS 18 -11.190 5.382 3.274
97 HB2 CYS 18 1HB CYS 18 -10.001 7.235 4.485
98 HB3 CYS 18 2HB CYS 18 -9.546 5.615 5.003
99 H GLY 19 H GLY 19 -8.462 6.649 1.385
100 HA2 GLY 19 1HA GLY 19 -8.923 7.711 -0.749
101 HA3 GLY 19 2HA GLY 19 -10.392 8.366 -0.041
102 H LYS 20 H LYS 20 -7.100 8.313 1.274
103 HA LYS 20 HA LYS 20 -7.269 11.216 1.618
104 HB2 LYS 20 1HB LYS 20 -5.798 9.018 2.974
105 HB3 LYS 20 2HB LYS 20 -5.009 10.589 2.914
106 HG2 LYS 20 1HG LYS 20 -6.944 11.610 3.991
107 HG3 LYS 20 2HG LYS 20 -7.749 10.040 4.039
108 HD2 LYS 20 1HD LYS 20 -6.856 10.064 6.139
109 HD3 LYS 20 2HD LYS 20 -5.505 9.342 5.263
110 HE2 LYS 20 1HE LYS 20 -4.607 11.693 4.988
111 HE3 LYS 20 2HE LYS 20 -5.830 12.199 6.152
112 HZ1 LYS 20 3HZ LYS 20 -4.828 10.389 7.627
113 HZ2 LYS 20 1HZ LYS 20 -3.950 11.822 7.433
114 HZ3 LYS 20 2HZ LYS 20 -3.503 10.434 6.577
115 H PHE 21 H PHE 21 -4.771 12.087 1.655
116 HA PHE 21 HA PHE 21 -3.468 11.211 -0.820
117 HB2 PHE 21 1HB PHE 21 -4.984 13.152 -1.307
118 HB3 PHE 21 2HB PHE 21 -4.017 14.118 -0.197
119 HD1 PHE 21 HD1 PHE 21 -3.933 12.244 -3.377
120 HD2 PHE 21 HD2 PHE 21 -1.971 15.070 -0.871
121 HE1 PHE 21 HE1 PHE 21 -2.388 12.792 -5.211
122 HE2 PHE 21 HE2 PHE 21 -0.423 15.624 -2.702
123 HZ PHE 21 HZ PHE 21 -0.631 14.485 -4.875
124 H PHE 22 H PHE 22 -1.246 11.742 -0.971
125 HA PHE 22 HA PHE 22 0.029 12.972 1.337
126 HB2 PHE 22 1HB PHE 22 0.739 10.166 0.457
127 HB3 PHE 22 2HB PHE 22 1.525 11.086 1.735
128 HD1 PHE 22 HD2 PHE 22 -1.891 9.938 0.770
129 HD2 PHE 22 HD1 PHE 22 0.908 10.645 3.897
130 HE1 PHE 22 HE2 PHE 22 -3.490 9.026 2.402
131 HE2 PHE 22 HE1 PHE 22 -0.686 9.733 5.534
132 HZ PHE 22 HZ PHE 22 -2.889 8.923 4.788
133 H LEU 23 H LEU 23 2.484 13.030 0.981
134 HA LEU 23 HA LEU 23 3.033 13.448 -1.884
135 HB2 LEU 23 1HB LEU 23 3.853 15.080 0.503
136 HB3 LEU 23 2HB LEU 23 4.662 15.215 -1.057
137 HG LEU 23 HG LEU 23 3.009 16.999 -0.677
138 HD11 LEU 23 1HD1 LEU 23 3.551 15.819 -2.959
139 HD12 LEU 23 2HD1 LEU 23 2.279 17.035 -2.846
140 HD13 LEU 23 3HD1 LEU 23 1.862 15.321 -2.852
141 HD21 LEU 23 3HD2 LEU 23 1.473 15.100 0.487
142 HD22 LEU 23 1HD2 LEU 23 0.718 15.208 -1.103
143 HD23 LEU 23 2HD2 LEU 23 0.864 16.649 -0.098
144 H GLN 24 H GLN 24 4.352 12.536 1.257
145 HA GLN 24 HA GLN 24 6.800 11.568 -0.013
146 HB2 GLN 24 1HB GLN 24 6.118 11.559 2.927
147 HB3 GLN 24 2HB GLN 24 7.705 11.356 2.198
148 HG2 GLN 24 1HG GLN 24 7.145 13.751 1.215
149 HG3 GLN 24 2HG GLN 24 6.121 13.817 2.648
150 HE21 GLN 24 1HE2 GLN 24 7.789 15.636 2.907
151 HE22 GLN 24 2HE2 GLN 24 9.191 15.235 3.834
152 H ALA 25 H ALA 25 6.727 9.581 -0.818
153 HA ALA 25 HA ALA 25 4.916 7.632 -0.647
154 HB1 ALA 25 3HB ALA 25 7.855 7.004 -0.463
155 HB2 ALA 25 1HB ALA 25 6.586 6.020 -1.193
156 HB3 ALA 25 2HB ALA 25 7.056 7.549 -1.938
157 H SER 26 H SER 26 7.670 7.776 1.621
158 HA SER 26 HA SER 26 7.060 5.703 3.279
159 HB2 SER 26 1HB SER 26 8.155 7.014 5.108
160 HB3 SER 26 2HB SER 26 9.074 7.001 3.603
161 HG SER 26 HG SER 26 8.690 9.080 3.328
162 H ASN 27 H ASN 27 5.936 9.054 3.772
163 HA ASN 27 HA ASN 27 4.278 8.570 5.948
164 HB2 ASN 27 1HB ASN 27 3.954 10.620 3.745
165 HB3 ASN 27 2HB ASN 27 3.100 10.654 5.286
166 HD21 ASN 27 1HD2 ASN 27 3.913 12.342 6.323
167 HD22 ASN 27 2HD2 ASN 27 5.592 12.628 6.613
168 H PHE 28 H PHE 28 3.759 7.989 2.553
169 HA PHE 28 HA PHE 28 0.923 7.592 2.787
170 HB2 PHE 28 1HB PHE 28 1.673 8.306 0.654
171 HB3 PHE 28 2HB PHE 28 2.922 7.066 0.594
172 HD1 PHE 28 HD2 PHE 28 -0.640 7.774 0.176
173 HD2 PHE 28 HD1 PHE 28 2.394 4.795 -0.018
174 HE1 PHE 28 HE2 PHE 28 -2.174 6.298 -1.056
175 HE2 PHE 28 HE1 PHE 28 0.864 3.313 -1.251
176 HZ PHE 28 HZ PHE 28 -1.423 4.064 -1.771
177 H ILE 29 H ILE 29 3.786 5.605 2.955
178 HA ILE 29 HA ILE 29 2.433 3.099 2.719
179 HB ILE 29 HB ILE 29 5.152 3.699 3.889
180 HG12 ILE 29 1HG1 ILE 29 4.394 2.750 1.118
181 HG13 ILE 29 2HG1 ILE 29 4.879 4.393 1.521
182 HG21 ILE 29 1HG2 ILE 29 5.511 1.492 4.148
183 HG22 ILE 29 2HG2 ILE 29 3.752 1.415 4.224
184 HG23 ILE 29 3HG2 ILE 29 4.585 1.066 2.709
185 HD11 ILE 29 3HD1 ILE 29 7.080 3.760 1.950
186 HD12 ILE 29 1HD1 ILE 29 6.658 2.054 2.090
187 HD13 ILE 29 2HD1 ILE 29 6.630 2.844 0.513
188 H GLN 30 H GLN 30 3.781 4.917 5.466
189 HA GLN 30 HA GLN 30 2.976 3.082 7.451
190 HB2 GLN 30 1HB GLN 30 3.278 6.040 7.914
191 HB3 GLN 30 2HB GLN 30 3.603 4.721 9.030
192 HG2 GLN 30 1HG GLN 30 5.406 4.046 7.283
193 HG3 GLN 30 2HG GLN 30 5.245 5.719 6.752
194 HE21 GLN 30 1HE2 GLN 30 7.515 4.368 7.975
195 HE22 GLN 30 2HE2 GLN 30 7.889 5.256 9.409
196 H HIS 31 H HIS 31 1.103 4.922 5.450
197 HA HIS 31 HA HIS 31 -1.007 5.403 7.419
198 HB2 HIS 31 1HB HIS 31 -0.841 7.297 6.092
199 HB3 HIS 31 2HB HIS 31 -0.468 6.374 4.639
200 HD1 HIS 31 HD1 HIS 31 -3.383 7.359 6.820
201 HD2 HIS 31 HD2 HIS 31 -2.639 5.706 3.081
202 HE1 HIS 31 HE1 HIS 31 -5.610 7.303 5.654
203 H ARG 32 H ARG 32 -0.285 3.492 4.561
204 HA ARG 32 HA ARG 32 -2.898 2.424 4.229
205 HB2 ARG 32 1HB ARG 32 -0.263 1.241 3.336
206 HB3 ARG 32 2HB ARG 32 -1.856 0.837 2.711
207 HG2 ARG 32 1HG ARG 32 -0.971 3.668 2.566
208 HG3 ARG 32 2HG ARG 32 -0.254 2.502 1.451
209 HD2 ARG 32 1HD ARG 32 -3.178 3.151 1.791
210 HD3 ARG 32 2HD ARG 32 -2.162 3.506 0.395
211 HE ARG 32 HE ARG 32 -3.482 1.045 0.970
212 HH11 ARG 32 1HH1 ARG 32 -0.655 2.427 -0.520
213 HH12 ARG 32 2HH1 ARG 32 -0.427 1.105 -1.616
214 HH21 ARG 32 1HH2 ARG 32 -3.192 -0.701 -0.468
215 HH22 ARG 32 2HH2 ARG 32 -1.870 -0.673 -1.587
216 H ARG 33 H ARG 33 -0.564 1.923 6.581
217 HA ARG 33 HA ARG 33 -1.016 -0.866 7.066
218 HB2 ARG 33 1HB ARG 33 -0.044 0.682 9.344
219 HB3 ARG 33 2HB ARG 33 0.693 -0.682 8.514
220 HG2 ARG 33 1HG ARG 33 1.140 1.169 6.669
221 HG3 ARG 33 2HG ARG 33 1.048 2.225 8.080
222 HD2 ARG 33 1HD ARG 33 2.707 -0.234 8.270
223 HD3 ARG 33 2HD ARG 33 3.323 1.111 7.311
224 HE ARG 33 HE ARG 33 2.637 2.321 9.606
225 HH11 ARG 33 1HH1 ARG 33 4.496 -0.547 8.945
226 HH12 ARG 33 2HH1 ARG 33 5.500 -0.377 10.346
227 HH21 ARG 33 1HH2 ARG 33 3.953 2.557 11.454
228 HH22 ARG 33 2HH2 ARG 33 5.190 1.389 11.773
229 H ILE 34 H ILE 34 -2.179 2.161 8.485
230 HA ILE 34 HA ILE 34 -3.540 1.338 10.682
231 HB ILE 34 HB ILE 34 -4.870 3.232 10.542
232 HG12 ILE 34 1HG1 ILE 34 -4.667 3.109 7.525
233 HG13 ILE 34 2HG1 ILE 34 -6.050 2.570 8.472
234 HG21 ILE 34 1HG2 ILE 34 -3.305 4.816 10.270
235 HG22 ILE 34 2HG2 ILE 34 -2.236 3.462 9.905
236 HG23 ILE 34 3HG2 ILE 34 -2.997 4.363 8.594
237 HD11 ILE 34 3HD1 ILE 34 -6.286 4.818 7.415
238 HD12 ILE 34 1HD1 ILE 34 -6.541 4.786 9.159
239 HD13 ILE 34 2HD1 ILE 34 -5.020 5.392 8.501
240 H HIS 35 H HIS 35 -4.560 0.949 7.327
241 HA HIS 35 HA HIS 35 -7.125 -0.138 7.983
242 HB2 HIS 35 1HB HIS 35 -5.646 -0.469 5.372
243 HB3 HIS 35 2HB HIS 35 -7.386 -0.526 5.640
244 HD1 HIS 35 HD1 HIS 35 -8.359 1.900 6.610
245 HD2 HIS 35 HD2 HIS 35 -4.809 1.925 4.451
246 HE1 HIS 35 HE1 HIS 35 -8.061 4.274 5.835
247 H THR 36 H THR 36 -3.927 -1.420 7.527
248 HA THR 36 HA THR 36 -4.661 -4.129 7.096
249 HB THR 36 HB THR 36 -2.375 -4.684 7.408
250 HG1 THR 36 HG1 THR 36 -0.927 -3.212 8.431
251 HG21 THR 36 3HG2 THR 36 -2.468 -3.565 5.380
252 HG22 THR 36 1HG2 THR 36 -1.202 -2.678 6.228
253 HG23 THR 36 2HG2 THR 36 -2.833 -2.014 6.135
254 H GLY 37 H GLY 37 -5.764 -5.310 8.517
255 HA2 GLY 37 1HA GLY 37 -4.858 -6.169 10.949
256 HA3 GLY 37 2HA GLY 37 -5.771 -4.716 11.327
257 H GLU 38 H GLU 38 -8.029 -4.648 10.456
258 HA GLU 38 HA GLU 38 -9.251 -7.293 10.811
259 HB2 GLU 38 1HB GLU 38 -9.888 -5.405 12.348
260 HB3 GLU 38 2HB GLU 38 -10.601 -4.596 10.959
261 HG2 GLU 38 1HG GLU 38 -11.991 -6.719 10.665
262 HG3 GLU 38 2HG GLU 38 -11.473 -7.127 12.300
263 H LYS 39 H LYS 39 -10.963 -7.975 9.452
264 HA LYS 39 HA LYS 39 -11.135 -6.569 6.871
265 HB2 LYS 39 1HB LYS 39 -11.276 -8.816 5.780
266 HB3 LYS 39 2HB LYS 39 -9.709 -8.460 6.495
267 HG2 LYS 39 1HG LYS 39 -11.710 -9.944 8.119
268 HG3 LYS 39 2HG LYS 39 -10.861 -10.793 6.825
269 HD2 LYS 39 1HD LYS 39 -9.326 -9.154 8.802
270 HD3 LYS 39 2HD LYS 39 -9.867 -10.778 9.231
271 HE2 LYS 39 1HE LYS 39 -8.613 -11.759 7.486
272 HE3 LYS 39 2HE LYS 39 -8.328 -10.201 6.713
273 HZ1 LYS 39 3HZ LYS 39 -7.211 -11.093 9.316
274 HZ2 LYS 39 1HZ LYS 39 -6.978 -9.563 8.633
275 HZ3 LYS 39 2HZ LYS 39 -6.359 -10.935 7.863
276 HA PRO 40 HA PRO 40 -15.493 -6.782 7.453
277 HB2 PRO 40 1HB PRO 40 -16.288 -6.521 4.870
278 HB3 PRO 40 2HB PRO 40 -15.640 -5.176 5.816
279 HG2 PRO 40 1HG PRO 40 -14.263 -6.914 3.805
280 HG3 PRO 40 2HG PRO 40 -14.164 -5.157 4.020
281 HD2 PRO 40 1HD PRO 40 -12.258 -6.847 4.938
282 HD3 PRO 40 2HD PRO 40 -12.665 -5.328 5.762
283 H SER 41 H SER 41 -17.036 -8.326 7.540
284 HA SER 41 HA SER 41 -16.526 -10.980 7.081
285 HB2 SER 41 1HB SER 41 -19.248 -9.658 6.970
286 HB3 SER 41 2HB SER 41 -18.936 -11.366 7.283
287 HG SER 41 HG SER 41 -17.557 -10.403 9.086
288 H GLY 42 H GLY 42 -16.081 -12.038 5.271
289 HA2 GLY 42 1HA GLY 42 -17.322 -12.819 3.192
290 HA3 GLY 42 2HA GLY 42 -17.333 -11.115 2.764
291 HA PRO 43 HA PRO 43 -13.549 -11.702 0.624
292 HB2 PRO 43 1HB PRO 43 -12.546 -9.181 0.730
293 HB3 PRO 43 2HB PRO 43 -13.910 -9.630 -0.302
294 HG2 PRO 43 1HG PRO 43 -13.921 -8.291 2.375
295 HG3 PRO 43 2HG PRO 43 -14.883 -7.917 0.933
296 HD2 PRO 43 1HD PRO 43 -15.875 -9.327 3.021
297 HD3 PRO 43 2HD PRO 43 -16.391 -9.610 1.346
298 H SER 44 H SER 44 -12.032 -12.903 1.612
299 HA SER 44 HA SER 44 -10.628 -11.761 3.932
300 HB2 SER 44 1HB SER 44 -9.906 -14.122 4.370
301 HB3 SER 44 2HB SER 44 -11.652 -13.885 4.455
302 HG SER 44 HG SER 44 -11.567 -15.572 3.155
303 H SER 45 H SER 45 -8.324 -12.058 4.078
304 HA SER 45 HA SER 45 -7.012 -11.511 1.592
305 HB2 SER 45 1HB SER 45 -6.444 -10.543 3.908
306 HB3 SER 45 2HB SER 45 -5.612 -12.070 4.202
307 HG SER 45 HG SER 45 -4.895 -9.949 2.607
308 H GLY 46 H GLY 46 -5.609 -12.770 0.434
309 HA2 GLY 46 1HA GLY 46 -5.341 -15.576 1.325
310 HA3 GLY 46 2HA GLY 46 -5.669 -15.145 -0.347
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -20.636 -9.071 -7.280
2 HA2 GLY 1 1HA GLY 1 -20.623 -6.121 -7.077
3 HA3 GLY 1 2HA GLY 1 -19.544 -7.151 -6.148
4 H SER 2 H SER 2 -17.785 -5.935 -7.038
5 HA SER 2 HA SER 2 -16.826 -7.086 -9.515
6 HB2 SER 2 1HB SER 2 -17.608 -4.213 -9.257
7 HB3 SER 2 2HB SER 2 -16.184 -4.613 -10.216
8 HG SER 2 HG SER 2 -17.711 -6.230 -11.221
9 H SER 3 H SER 3 -14.606 -7.102 -9.672
10 HA SER 3 HA SER 3 -13.075 -5.697 -7.604
11 HB2 SER 3 1HB SER 3 -11.845 -7.673 -6.989
12 HB3 SER 3 2HB SER 3 -13.563 -8.047 -6.850
13 HG SER 3 HG SER 3 -13.187 -8.791 -9.183
14 H GLY 4 H GLY 4 -10.771 -5.562 -8.073
15 HA2 GLY 4 1HA GLY 4 -9.440 -6.431 -10.303
16 HA3 GLY 4 2HA GLY 4 -10.316 -5.009 -10.850
17 H SER 5 H SER 5 -8.180 -4.129 -11.279
18 HA SER 5 HA SER 5 -6.934 -3.050 -8.836
19 HB2 SER 5 1HB SER 5 -4.806 -2.946 -10.212
20 HB3 SER 5 2HB SER 5 -5.356 -4.568 -9.791
21 HG SER 5 HG SER 5 -6.269 -3.493 -12.192
22 H SER 6 H SER 6 -7.472 -0.980 -8.659
23 HA SER 6 HA SER 6 -7.113 0.767 -10.979
24 HB2 SER 6 1HB SER 6 -9.228 1.904 -10.609
25 HB3 SER 6 2HB SER 6 -9.531 0.185 -10.856
26 HG SER 6 HG SER 6 -9.460 0.095 -8.451
27 H GLY 7 H GLY 7 -6.758 2.985 -10.443
28 HA2 GLY 7 1HA GLY 7 -6.733 4.605 -8.508
29 HA3 GLY 7 2HA GLY 7 -5.864 3.341 -7.650
30 H HIS 8 H HIS 8 -5.545 6.122 -9.455
31 HA HIS 8 HA HIS 8 -2.702 5.535 -9.957
32 HB2 HIS 8 1HB HIS 8 -2.929 7.230 -11.867
33 HB3 HIS 8 2HB HIS 8 -3.622 5.632 -12.124
34 HD2 HIS 8 HD2 HIS 8 -5.217 8.952 -10.635
35 HE1 HIS 8 HE1 HIS 8 -7.832 7.248 -13.508
36 HE2 HIS 8 HE2 HIS 8 -7.445 9.172 -11.930
37 H GLY 9 H GLY 9 -1.323 7.495 -10.015
38 HA2 GLY 9 1HA GLY 9 -2.263 9.959 -8.942
39 HA3 GLY 9 2HA GLY 9 -1.505 8.984 -7.692
40 H GLU 10 H GLU 10 -0.969 10.508 -10.833
41 HA GLU 10 HA GLU 10 1.688 10.020 -11.254
42 HB2 GLU 10 1HB GLU 10 0.064 12.509 -11.745
43 HB3 GLU 10 2HB GLU 10 1.744 12.382 -12.248
44 HG2 GLU 10 1HG GLU 10 1.077 10.303 -13.513
45 HG3 GLU 10 2HG GLU 10 -0.596 10.753 -13.189
46 H ARG 11 H ARG 11 0.433 12.854 -9.481
47 HA ARG 11 HA ARG 11 3.064 13.153 -8.221
48 HB2 ARG 11 1HB ARG 11 1.711 15.059 -9.420
49 HB3 ARG 11 2HB ARG 11 0.844 15.133 -7.892
50 HG2 ARG 11 1HG ARG 11 3.836 15.300 -8.039
51 HG3 ARG 11 2HG ARG 11 2.799 16.719 -8.195
52 HD2 ARG 11 1HD ARG 11 2.757 14.815 -5.858
53 HD3 ARG 11 2HD ARG 11 3.642 16.340 -5.888
54 HE ARG 11 HE ARG 11 0.811 15.982 -5.536
55 HH11 ARG 11 1HH1 ARG 11 3.319 18.176 -6.546
56 HH12 ARG 11 2HH1 ARG 11 2.378 19.598 -6.241
57 HH21 ARG 11 1HH2 ARG 11 -0.438 17.847 -5.132
58 HH22 ARG 11 2HH2 ARG 11 0.241 19.410 -5.436
59 H GLY 12 H GLY 12 3.366 12.474 -6.207
60 HA2 GLY 12 1HA GLY 12 2.924 12.160 -3.946
61 HA3 GLY 12 2HA GLY 12 1.286 12.736 -4.214
62 H HIS 13 H HIS 13 0.679 10.970 -2.781
63 HA HIS 13 HA HIS 13 0.144 8.551 -4.317
64 HB2 HIS 13 1HB HIS 13 1.375 8.437 -1.556
65 HB3 HIS 13 2HB HIS 13 0.903 7.062 -2.549
66 HD2 HIS 13 HD2 HIS 13 3.703 9.819 -2.484
67 HE1 HIS 13 HE1 HIS 13 4.922 6.656 -5.035
68 HE2 HIS 13 HE2 HIS 13 5.623 8.774 -3.867
69 H ARG 14 H ARG 14 -2.001 8.452 -4.269
70 HA ARG 14 HA ARG 14 -3.444 9.340 -1.889
71 HB2 ARG 14 1HB ARG 14 -4.212 10.222 -4.024
72 HB3 ARG 14 2HB ARG 14 -4.423 8.592 -4.649
73 HG2 ARG 14 1HG ARG 14 -6.024 8.367 -2.569
74 HG3 ARG 14 2HG ARG 14 -6.095 10.123 -2.733
75 HD2 ARG 14 1HD ARG 14 -6.653 8.157 -4.951
76 HD3 ARG 14 2HD ARG 14 -7.889 8.945 -3.971
77 HE ARG 14 HE ARG 14 -6.112 10.803 -5.232
78 HH11 ARG 14 1HH1 ARG 14 -8.956 8.846 -5.682
79 HH12 ARG 14 2HH1 ARG 14 -9.606 9.848 -6.938
80 HH21 ARG 14 1HH2 ARG 14 -6.957 12.130 -6.884
81 HH22 ARG 14 2HH2 ARG 14 -8.467 11.715 -7.621
82 H CYS 15 H CYS 15 -4.828 8.038 -0.720
83 HA CYS 15 HA CYS 15 -4.270 5.192 -0.880
84 HB2 CYS 15 1HB CYS 15 -4.200 6.266 1.310
85 HB3 CYS 15 2HB CYS 15 -5.867 6.801 1.123
86 H SER 16 H SER 16 -5.957 3.588 -0.849
87 HA SER 16 HA SER 16 -8.324 4.455 -2.366
88 HB2 SER 16 1HB SER 16 -7.030 1.721 -2.219
89 HB3 SER 16 2HB SER 16 -8.450 2.130 -3.181
90 HG SER 16 HG SER 16 -5.778 2.960 -3.518
91 H ASP 17 H ASP 17 -7.229 2.811 0.491
92 HA ASP 17 HA ASP 17 -9.589 1.477 1.212
93 HB2 ASP 17 1HB ASP 17 -7.341 2.606 2.883
94 HB3 ASP 17 2HB ASP 17 -8.660 1.656 3.563
95 H CYS 18 H CYS 18 -8.395 4.689 2.183
96 HA CYS 18 HA CYS 18 -11.114 5.339 3.102
97 HB2 CYS 18 1HB CYS 18 -9.999 7.203 4.351
98 HB3 CYS 18 2HB CYS 18 -9.503 5.595 4.868
99 H GLY 19 H GLY 19 -8.356 6.646 1.283
100 HA2 GLY 19 1HA GLY 19 -8.796 7.687 -0.872
101 HA3 GLY 19 2HA GLY 19 -10.275 8.343 -0.184
102 H LYS 20 H LYS 20 -7.018 8.299 1.208
103 HA LYS 20 HA LYS 20 -7.189 11.204 1.523
104 HB2 LYS 20 1HB LYS 20 -5.741 9.014 2.917
105 HB3 LYS 20 2HB LYS 20 -4.955 10.586 2.865
106 HG2 LYS 20 1HG LYS 20 -6.906 11.609 3.905
107 HG3 LYS 20 2HG LYS 20 -7.718 10.042 3.935
108 HD2 LYS 20 1HD LYS 20 -6.871 10.062 6.054
109 HD3 LYS 20 2HD LYS 20 -5.502 9.336 5.208
110 HE2 LYS 20 1HE LYS 20 -4.551 11.004 6.548
111 HE3 LYS 20 2HE LYS 20 -4.630 11.720 4.939
112 HZ1 LYS 20 3HZ LYS 20 -5.394 13.141 6.873
113 HZ2 LYS 20 1HZ LYS 20 -6.763 12.150 6.941
114 HZ3 LYS 20 2HZ LYS 20 -6.437 13.047 5.545
115 H PHE 21 H PHE 21 -4.718 12.105 1.583
116 HA PHE 21 HA PHE 21 -3.361 11.207 -0.857
117 HB2 PHE 21 1HB PHE 21 -4.868 13.142 -1.384
118 HB3 PHE 21 2HB PHE 21 -3.929 14.115 -0.256
119 HD1 PHE 21 HD1 PHE 21 -3.794 12.264 -3.441
120 HD2 PHE 21 HD2 PHE 21 -1.845 15.042 -0.873
121 HE1 PHE 21 HE1 PHE 21 -2.211 12.813 -5.243
122 HE2 PHE 21 HE2 PHE 21 -0.260 15.597 -2.670
123 HZ PHE 21 HZ PHE 21 -0.441 14.483 -4.859
124 H PHE 22 H PHE 22 -1.136 11.738 -0.971
125 HA PHE 22 HA PHE 22 0.099 12.986 1.347
126 HB2 PHE 22 1HB PHE 22 0.814 10.167 0.512
127 HB3 PHE 22 2HB PHE 22 1.586 11.100 1.790
128 HD1 PHE 22 HD2 PHE 22 -1.821 9.953 0.790
129 HD2 PHE 22 HD1 PHE 22 0.936 10.690 3.948
130 HE1 PHE 22 HE2 PHE 22 -3.447 9.068 2.411
131 HE2 PHE 22 HE1 PHE 22 -0.685 9.805 5.574
132 HZ PHE 22 HZ PHE 22 -2.881 8.994 4.807
133 H LEU 23 H LEU 23 2.584 12.967 1.030
134 HA LEU 23 HA LEU 23 3.175 13.381 -1.827
135 HB2 LEU 23 1HB LEU 23 3.987 15.020 0.560
136 HB3 LEU 23 2HB LEU 23 4.800 15.143 -0.999
137 HG LEU 23 HG LEU 23 3.164 16.941 -0.642
138 HD11 LEU 23 1HD1 LEU 23 2.218 15.079 -2.807
139 HD12 LEU 23 2HD1 LEU 23 3.711 16.011 -2.911
140 HD13 LEU 23 3HD1 LEU 23 2.160 16.841 -2.787
141 HD21 LEU 23 3HD2 LEU 23 0.843 15.189 -1.038
142 HD22 LEU 23 1HD2 LEU 23 1.031 16.618 -0.022
143 HD23 LEU 23 2HD2 LEU 23 1.614 15.052 0.543
144 H GLN 24 H GLN 24 4.452 12.508 1.347
145 HA GLN 24 HA GLN 24 6.910 11.507 0.129
146 HB2 GLN 24 1HB GLN 24 6.144 11.540 3.050
147 HB3 GLN 24 2HB GLN 24 7.745 11.259 2.379
148 HG2 GLN 24 1HG GLN 24 7.376 13.644 1.346
149 HG3 GLN 24 2HG GLN 24 6.230 13.797 2.677
150 HE21 GLN 24 1HE2 GLN 24 8.047 15.545 2.925
151 HE22 GLN 24 2HE2 GLN 24 9.301 15.113 4.032
152 H ALA 25 H ALA 25 6.866 9.514 -0.662
153 HA ALA 25 HA ALA 25 5.034 7.576 -0.540
154 HB1 ALA 25 3HB ALA 25 7.969 6.947 -0.284
155 HB2 ALA 25 1HB ALA 25 6.717 5.951 -1.027
156 HB3 ALA 25 2HB ALA 25 7.197 7.472 -1.780
157 H SER 26 H SER 26 7.713 7.747 1.813
158 HA SER 26 HA SER 26 7.056 5.668 3.456
159 HB2 SER 26 1HB SER 26 8.097 6.997 5.314
160 HB3 SER 26 2HB SER 26 9.066 6.944 3.842
161 HG SER 26 HG SER 26 8.301 9.076 5.119
162 H ASN 27 H ASN 27 5.935 9.025 3.910
163 HA ASN 27 HA ASN 27 4.222 8.567 6.043
164 HB2 ASN 27 1HB ASN 27 3.872 10.578 3.807
165 HB3 ASN 27 2HB ASN 27 3.093 10.648 5.385
166 HD21 ASN 27 1HD2 ASN 27 3.966 12.472 6.171
167 HD22 ASN 27 2HD2 ASN 27 5.655 12.711 6.442
168 H PHE 28 H PHE 28 3.767 7.971 2.635
169 HA PHE 28 HA PHE 28 0.933 7.557 2.817
170 HB2 PHE 28 1HB PHE 28 1.726 8.250 0.693
171 HB3 PHE 28 2HB PHE 28 2.979 7.014 0.672
172 HD1 PHE 28 HD2 PHE 28 -0.589 7.690 0.208
173 HD2 PHE 28 HD1 PHE 28 2.484 4.750 0.037
174 HE1 PHE 28 HE2 PHE 28 -2.092 6.196 -1.040
175 HE2 PHE 28 HE1 PHE 28 0.986 3.252 -1.213
176 HZ PHE 28 HZ PHE 28 -1.306 3.973 -1.752
177 H ILE 29 H ILE 29 3.799 5.574 3.045
178 HA ILE 29 HA ILE 29 2.457 3.065 2.813
179 HB ILE 29 HB ILE 29 5.153 3.696 4.020
180 HG12 ILE 29 1HG1 ILE 29 4.424 2.686 1.261
181 HG13 ILE 29 2HG1 ILE 29 4.932 4.329 1.637
182 HG21 ILE 29 1HG2 ILE 29 5.646 1.364 3.855
183 HG22 ILE 29 2HG2 ILE 29 4.130 1.535 4.739
184 HG23 ILE 29 3HG2 ILE 29 4.113 1.042 3.046
185 HD11 ILE 29 3HD1 ILE 29 6.538 2.150 0.941
186 HD12 ILE 29 1HD1 ILE 29 7.057 3.753 1.462
187 HD13 ILE 29 2HD1 ILE 29 6.852 2.464 2.648
188 H GLN 30 H GLN 30 3.769 4.889 5.575
189 HA GLN 30 HA GLN 30 2.906 3.074 7.553
190 HB2 GLN 30 1HB GLN 30 3.238 6.032 8.002
191 HB3 GLN 30 2HB GLN 30 3.517 4.718 9.137
192 HG2 GLN 30 1HG GLN 30 5.352 3.998 7.451
193 HG3 GLN 30 2HG GLN 30 5.222 5.660 6.879
194 HE21 GLN 30 1HE2 GLN 30 7.287 4.034 8.424
195 HE22 GLN 30 2HE2 GLN 30 7.701 5.059 9.752
196 H HIS 31 H HIS 31 1.092 4.929 5.511
197 HA HIS 31 HA HIS 31 -1.048 5.443 7.438
198 HB2 HIS 31 1HB HIS 31 -0.838 7.326 6.104
199 HB3 HIS 31 2HB HIS 31 -0.450 6.390 4.663
200 HD1 HIS 31 HD1 HIS 31 -3.393 7.408 6.791
201 HD2 HIS 31 HD2 HIS 31 -2.598 5.749 3.066
202 HE1 HIS 31 HE1 HIS 31 -5.600 7.374 5.585
203 H ARG 32 H ARG 32 -0.280 3.483 4.633
204 HA ARG 32 HA ARG 32 -2.908 2.445 4.261
205 HB2 ARG 32 1HB ARG 32 -0.274 1.237 3.398
206 HB3 ARG 32 2HB ARG 32 -1.864 0.851 2.754
207 HG2 ARG 32 1HG ARG 32 -0.981 3.676 2.619
208 HG3 ARG 32 2HG ARG 32 -0.207 2.517 1.537
209 HD2 ARG 32 1HD ARG 32 -3.173 3.010 1.785
210 HD3 ARG 32 2HD ARG 32 -2.136 3.576 0.476
211 HE ARG 32 HE ARG 32 -2.064 0.730 0.837
212 HH11 ARG 32 1HH1 ARG 32 -3.767 3.374 -0.656
213 HH12 ARG 32 2HH1 ARG 32 -4.443 2.397 -1.918
214 HH21 ARG 32 1HH2 ARG 32 -2.947 -0.566 -0.819
215 HH22 ARG 32 2HH2 ARG 32 -3.976 0.156 -2.009
216 H ARG 33 H ARG 33 -0.608 1.940 6.643
217 HA ARG 33 HA ARG 33 -1.081 -0.846 7.129
218 HB2 ARG 33 1HB ARG 33 -0.122 0.706 9.411
219 HB3 ARG 33 2HB ARG 33 0.612 -0.669 8.597
220 HG2 ARG 33 1HG ARG 33 1.094 1.169 6.746
221 HG3 ARG 33 2HG ARG 33 0.997 2.233 8.151
222 HD2 ARG 33 1HD ARG 33 2.635 -0.242 8.358
223 HD3 ARG 33 2HD ARG 33 3.271 1.104 7.415
224 HE ARG 33 HE ARG 33 2.400 2.099 9.876
225 HH11 ARG 33 1HH1 ARG 33 4.859 -0.006 8.596
226 HH12 ARG 33 2HH1 ARG 33 5.993 0.334 9.861
227 HH21 ARG 33 1HH2 ARG 33 3.883 2.554 11.548
228 HH22 ARG 33 2HH2 ARG 33 5.436 1.789 11.540
229 H ILE 34 H ILE 34 -2.278 2.196 8.472
230 HA ILE 34 HA ILE 34 -3.656 1.394 10.677
231 HB ILE 34 HB ILE 34 -4.975 3.292 10.506
232 HG12 ILE 34 1HG1 ILE 34 -4.741 3.140 7.493
233 HG13 ILE 34 2HG1 ILE 34 -6.136 2.616 8.429
234 HG21 ILE 34 1HG2 ILE 34 -3.381 4.842 10.274
235 HG22 ILE 34 2HG2 ILE 34 -2.326 3.495 9.849
236 HG23 ILE 34 3HG2 ILE 34 -3.108 4.437 8.579
237 HD11 ILE 34 3HD1 ILE 34 -6.439 4.822 7.392
238 HD12 ILE 34 1HD1 ILE 34 -6.548 4.875 9.152
239 HD13 ILE 34 2HD1 ILE 34 -5.084 5.433 8.341
240 H HIS 35 H HIS 35 -4.690 1.051 7.311
241 HA HIS 35 HA HIS 35 -7.247 -0.037 7.939
242 HB2 HIS 35 1HB HIS 35 -5.744 -0.435 5.354
243 HB3 HIS 35 2HB HIS 35 -7.488 -0.429 5.603
244 HD1 HIS 35 HD1 HIS 35 -8.355 2.056 6.579
245 HD2 HIS 35 HD2 HIS 35 -4.850 1.903 4.353
246 HE1 HIS 35 HE1 HIS 35 -7.977 4.403 5.757
247 H THR 36 H THR 36 -4.058 -1.341 7.656
248 HA THR 36 HA THR 36 -4.836 -4.061 7.236
249 HB THR 36 HB THR 36 -2.561 -4.638 7.484
250 HG1 THR 36 HG1 THR 36 -1.067 -3.118 8.460
251 HG21 THR 36 3HG2 THR 36 -2.979 -1.944 6.248
252 HG22 THR 36 1HG2 THR 36 -2.656 -3.493 5.470
253 HG23 THR 36 2HG2 THR 36 -1.361 -2.643 6.312
254 H GLY 37 H GLY 37 -3.654 -2.250 10.071
255 HA2 GLY 37 1HA GLY 37 -3.693 -4.281 11.946
256 HA3 GLY 37 2HA GLY 37 -4.000 -2.591 12.317
257 H GLU 38 H GLU 38 -6.298 -1.862 11.695
258 HA GLU 38 HA GLU 38 -8.181 -3.973 12.520
259 HB2 GLU 38 1HB GLU 38 -7.636 -1.890 14.049
260 HB3 GLU 38 2HB GLU 38 -8.774 -1.082 12.981
261 HG2 GLU 38 1HG GLU 38 -10.519 -2.597 13.576
262 HG3 GLU 38 2HG GLU 38 -9.397 -3.613 14.479
263 H LYS 39 H LYS 39 -9.859 -4.385 11.226
264 HA LYS 39 HA LYS 39 -10.401 -2.498 9.028
265 HB2 LYS 39 1HB LYS 39 -10.272 -5.489 9.089
266 HB3 LYS 39 2HB LYS 39 -11.323 -4.694 7.924
267 HG2 LYS 39 1HG LYS 39 -9.442 -3.514 6.974
268 HG3 LYS 39 2HG LYS 39 -8.366 -4.192 8.198
269 HD2 LYS 39 1HD LYS 39 -9.000 -6.471 7.335
270 HD3 LYS 39 2HD LYS 39 -9.815 -5.656 5.998
271 HE2 LYS 39 1HE LYS 39 -6.934 -5.127 6.661
272 HE3 LYS 39 2HE LYS 39 -7.416 -6.465 5.619
273 HZ1 LYS 39 3HZ LYS 39 -8.108 -3.618 5.134
274 HZ2 LYS 39 1HZ LYS 39 -8.434 -4.923 4.108
275 HZ3 LYS 39 2HZ LYS 39 -6.836 -4.441 4.380
276 HA PRO 40 HA PRO 40 -14.580 -2.194 10.335
277 HB2 PRO 40 1HB PRO 40 -15.873 -1.951 7.960
278 HB3 PRO 40 2HB PRO 40 -14.877 -0.662 8.648
279 HG2 PRO 40 1HG PRO 40 -14.187 -2.664 6.532
280 HG3 PRO 40 2HG PRO 40 -13.830 -0.928 6.589
281 HD2 PRO 40 1HD PRO 40 -11.992 -2.814 7.218
282 HD3 PRO 40 2HD PRO 40 -12.025 -1.217 7.993
283 H SER 41 H SER 41 -16.600 -3.284 10.426
284 HA SER 41 HA SER 41 -16.403 -6.110 10.094
285 HB2 SER 41 1HB SER 41 -17.773 -4.643 11.826
286 HB3 SER 41 2HB SER 41 -19.036 -4.792 10.604
287 HG SER 41 HG SER 41 -19.216 -6.504 12.032
288 H GLY 42 H GLY 42 -16.681 -7.163 8.249
289 HA2 GLY 42 1HA GLY 42 -17.212 -7.448 5.997
290 HA3 GLY 42 2HA GLY 42 -18.827 -7.414 6.690
291 HA PRO 43 HA PRO 43 -17.954 -2.938 5.062
292 HB2 PRO 43 1HB PRO 43 -15.731 -2.623 3.535
293 HB3 PRO 43 2HB PRO 43 -15.732 -2.401 5.288
294 HG2 PRO 43 1HG PRO 43 -14.859 -4.770 3.680
295 HG3 PRO 43 2HG PRO 43 -14.078 -4.023 5.086
296 HD2 PRO 43 1HD PRO 43 -15.577 -6.270 5.275
297 HD3 PRO 43 2HD PRO 43 -15.483 -5.073 6.582
298 H SER 44 H SER 44 -18.320 -1.970 2.948
299 HA SER 44 HA SER 44 -19.254 -3.960 1.033
300 HB2 SER 44 1HB SER 44 -20.476 -2.106 -0.002
301 HB3 SER 44 2HB SER 44 -20.793 -2.159 1.732
302 HG SER 44 HG SER 44 -18.920 -0.457 0.442
303 H SER 45 H SER 45 -17.220 -1.048 1.091
304 HA SER 45 HA SER 45 -15.785 -0.192 -0.490
305 HB2 SER 45 1HB SER 45 -13.937 -1.726 -0.991
306 HB3 SER 45 2HB SER 45 -14.427 -1.875 0.696
307 HG SER 45 HG SER 45 -14.468 -3.926 0.155
308 H GLY 46 H GLY 46 -18.267 -0.792 -1.655
309 HA2 GLY 46 1HA GLY 46 -17.762 -2.218 -4.133
310 HA3 GLY 46 2HA GLY 46 -19.279 -1.478 -3.643
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -20.774 22.929 -23.951
2 HA2 GLY 1 1HA GLY 1 -22.179 21.147 -22.162
3 HA3 GLY 1 2HA GLY 1 -21.303 20.325 -23.444
4 H SER 2 H SER 2 -21.106 21.484 -20.334
5 HA SER 2 HA SER 2 -18.392 22.317 -20.237
6 HB2 SER 2 1HB SER 2 -18.653 21.950 -17.759
7 HB3 SER 2 2HB SER 2 -19.870 23.008 -18.472
8 HG SER 2 HG SER 2 -20.502 21.149 -16.979
9 H SER 3 H SER 3 -17.025 20.850 -21.169
10 HA SER 3 HA SER 3 -16.502 18.443 -19.616
11 HB2 SER 3 1HB SER 3 -17.069 18.392 -22.588
12 HB3 SER 3 2HB SER 3 -16.365 17.049 -21.687
13 HG SER 3 HG SER 3 -18.841 18.232 -20.991
14 H GLY 4 H GLY 4 -14.393 18.301 -19.243
15 HA2 GLY 4 1HA GLY 4 -12.303 18.314 -20.963
16 HA3 GLY 4 2HA GLY 4 -12.557 20.026 -20.658
17 H SER 5 H SER 5 -10.164 19.056 -19.993
18 HA SER 5 HA SER 5 -10.098 18.143 -17.261
19 HB2 SER 5 1HB SER 5 -7.850 19.102 -19.049
20 HB3 SER 5 2HB SER 5 -7.655 18.280 -17.502
21 HG SER 5 HG SER 5 -8.960 17.195 -19.779
22 H SER 6 H SER 6 -9.085 19.290 -15.517
23 HA SER 6 HA SER 6 -9.623 22.167 -15.653
24 HB2 SER 6 1HB SER 6 -10.785 21.129 -13.849
25 HB3 SER 6 2HB SER 6 -9.348 20.246 -13.338
26 HG SER 6 HG SER 6 -9.211 23.032 -13.401
27 H GLY 7 H GLY 7 -7.168 19.948 -14.315
28 HA2 GLY 7 1HA GLY 7 -4.832 20.450 -15.030
29 HA3 GLY 7 2HA GLY 7 -5.197 22.126 -14.648
30 H HIS 8 H HIS 8 -4.881 18.900 -13.233
31 HA HIS 8 HA HIS 8 -3.882 20.166 -10.781
32 HB2 HIS 8 1HB HIS 8 -6.046 18.087 -10.997
33 HB3 HIS 8 2HB HIS 8 -5.073 18.240 -9.537
34 HD2 HIS 8 HD2 HIS 8 -5.525 20.603 -8.047
35 HE1 HIS 8 HE1 HIS 8 -8.990 21.735 -10.218
36 HE2 HIS 8 HE2 HIS 8 -7.540 22.217 -8.216
37 H GLY 9 H GLY 9 -2.275 19.038 -9.699
38 HA2 GLY 9 1HA GLY 9 -0.993 16.946 -11.298
39 HA3 GLY 9 2HA GLY 9 -0.238 17.876 -10.011
40 H GLU 10 H GLU 10 -0.849 14.876 -10.707
41 HA GLU 10 HA GLU 10 -1.883 14.147 -8.049
42 HB2 GLU 10 1HB GLU 10 -2.091 12.883 -10.734
43 HB3 GLU 10 2HB GLU 10 -2.001 11.815 -9.341
44 HG2 GLU 10 1HG GLU 10 -3.977 14.063 -9.475
45 HG3 GLU 10 2HG GLU 10 -4.310 12.485 -10.187
46 H ARG 11 H ARG 11 0.882 14.936 -8.736
47 HA ARG 11 HA ARG 11 2.522 12.615 -8.776
48 HB2 ARG 11 1HB ARG 11 4.356 14.167 -8.213
49 HB3 ARG 11 2HB ARG 11 3.376 14.752 -9.550
50 HG2 ARG 11 1HG ARG 11 2.107 16.017 -7.616
51 HG3 ARG 11 2HG ARG 11 3.655 15.813 -6.793
52 HD2 ARG 11 1HD ARG 11 4.070 17.791 -7.836
53 HD3 ARG 11 2HD ARG 11 4.573 16.695 -9.121
54 HE ARG 11 HE ARG 11 1.809 17.366 -9.311
55 HH11 ARG 11 1HH1 ARG 11 5.024 18.520 -9.982
56 HH12 ARG 11 2HH1 ARG 11 4.524 19.551 -11.281
57 HH21 ARG 11 1HH2 ARG 11 1.137 18.720 -11.019
58 HH22 ARG 11 2HH2 ARG 11 2.312 19.666 -11.869
59 H GLY 12 H GLY 12 1.825 11.237 -7.130
60 HA2 GLY 12 1HA GLY 12 3.130 11.400 -4.683
61 HA3 GLY 12 2HA GLY 12 1.515 12.043 -4.427
62 H HIS 13 H HIS 13 1.146 10.287 -2.968
63 HA HIS 13 HA HIS 13 0.452 7.799 -4.377
64 HB2 HIS 13 1HB HIS 13 1.680 8.016 -1.620
65 HB3 HIS 13 2HB HIS 13 1.109 6.525 -2.362
66 HD2 HIS 13 HD2 HIS 13 4.150 8.942 -2.537
67 HE1 HIS 13 HE1 HIS 13 4.940 5.619 -5.052
68 HE2 HIS 13 HE2 HIS 13 5.908 7.655 -3.929
69 H ARG 14 H ARG 14 -1.704 7.799 -4.423
70 HA ARG 14 HA ARG 14 -3.218 8.864 -2.171
71 HB2 ARG 14 1HB ARG 14 -3.931 9.549 -4.385
72 HB3 ARG 14 2HB ARG 14 -4.087 7.872 -4.890
73 HG2 ARG 14 1HG ARG 14 -5.768 7.783 -2.857
74 HG3 ARG 14 2HG ARG 14 -5.868 9.516 -3.178
75 HD2 ARG 14 1HD ARG 14 -7.592 8.280 -4.393
76 HD3 ARG 14 2HD ARG 14 -6.463 9.065 -5.496
77 HE ARG 14 HE ARG 14 -5.455 6.556 -5.196
78 HH11 ARG 14 1HH1 ARG 14 -8.551 7.846 -6.129
79 HH12 ARG 14 2HH1 ARG 14 -8.941 6.512 -7.163
80 HH21 ARG 14 1HH2 ARG 14 -5.957 4.794 -6.555
81 HH22 ARG 14 2HH2 ARG 14 -7.465 4.776 -7.404
82 H CYS 15 H CYS 15 -4.690 7.677 -0.965
83 HA CYS 15 HA CYS 15 -4.126 4.824 -0.837
84 HB2 CYS 15 1HB CYS 15 -4.090 6.082 1.251
85 HB3 CYS 15 2HB CYS 15 -5.744 6.622 0.980
86 H SER 16 H SER 16 -5.791 3.229 -0.772
87 HA SER 16 HA SER 16 -8.122 3.976 -2.398
88 HB2 SER 16 1HB SER 16 -8.262 1.524 -2.897
89 HB3 SER 16 2HB SER 16 -6.763 2.274 -3.443
90 HG SER 16 HG SER 16 -5.677 1.087 -2.081
91 H ASP 17 H ASP 17 -7.136 2.630 0.644
92 HA ASP 17 HA ASP 17 -9.529 1.390 1.423
93 HB2 ASP 17 1HB ASP 17 -7.398 2.724 3.106
94 HB3 ASP 17 2HB ASP 17 -8.684 1.706 3.748
95 H CYS 18 H CYS 18 -8.344 4.685 2.066
96 HA CYS 18 HA CYS 18 -11.091 5.442 2.809
97 HB2 CYS 18 1HB CYS 18 -9.996 7.415 3.919
98 HB3 CYS 18 2HB CYS 18 -9.587 5.856 4.628
99 H GLY 19 H GLY 19 -8.227 6.533 1.013
100 HA2 GLY 19 1HA GLY 19 -8.562 7.367 -1.254
101 HA3 GLY 19 2HA GLY 19 -10.042 8.126 -0.688
102 H LYS 20 H LYS 20 -6.876 8.132 0.886
103 HA LYS 20 HA LYS 20 -6.961 11.050 0.922
104 HB2 LYS 20 1HB LYS 20 -5.595 8.947 2.518
105 HB3 LYS 20 2HB LYS 20 -4.766 10.490 2.355
106 HG2 LYS 20 1HG LYS 20 -6.760 11.631 3.233
107 HG3 LYS 20 2HG LYS 20 -7.538 10.061 3.450
108 HD2 LYS 20 1HD LYS 20 -6.688 10.341 5.548
109 HD3 LYS 20 2HD LYS 20 -5.300 9.561 4.786
110 HE2 LYS 20 1HE LYS 20 -4.429 11.413 5.954
111 HE3 LYS 20 2HE LYS 20 -4.459 11.892 4.258
112 HZ1 LYS 20 3HZ LYS 20 -6.697 12.556 6.065
113 HZ2 LYS 20 1HZ LYS 20 -6.261 13.290 4.604
114 HZ3 LYS 20 2HZ LYS 20 -5.322 13.537 5.988
115 H PHE 21 H PHE 21 -4.470 11.898 0.964
116 HA PHE 21 HA PHE 21 -3.078 10.776 -1.359
117 HB2 PHE 21 1HB PHE 21 -4.547 12.679 -2.086
118 HB3 PHE 21 2HB PHE 21 -3.609 13.734 -1.035
119 HD1 PHE 21 HD1 PHE 21 -3.473 11.616 -4.046
120 HD2 PHE 21 HD2 PHE 21 -1.482 14.546 -1.686
121 HE1 PHE 21 HE1 PHE 21 -1.851 11.970 -5.861
122 HE2 PHE 21 HE2 PHE 21 0.142 14.906 -3.498
123 HZ PHE 21 HZ PHE 21 -0.041 13.618 -5.589
124 H PHE 22 H PHE 22 -0.845 11.263 -1.466
125 HA PHE 22 HA PHE 22 0.358 12.699 0.759
126 HB2 PHE 22 1HB PHE 22 1.034 9.803 0.202
127 HB3 PHE 22 2HB PHE 22 1.810 10.837 1.397
128 HD1 PHE 22 HD2 PHE 22 -1.596 9.637 0.460
129 HD2 PHE 22 HD1 PHE 22 1.111 10.677 3.576
130 HE1 PHE 22 HE2 PHE 22 -3.260 8.943 2.134
131 HE2 PHE 22 HE1 PHE 22 -0.548 9.983 5.254
132 HZ PHE 22 HZ PHE 22 -2.738 9.116 4.534
133 H LEU 23 H LEU 23 2.803 12.748 0.502
134 HA LEU 23 HA LEU 23 3.483 12.846 -2.364
135 HB2 LEU 23 1HB LEU 23 4.247 14.691 -0.117
136 HB3 LEU 23 2HB LEU 23 5.104 14.665 -1.657
137 HG LEU 23 HG LEU 23 3.401 16.488 -1.400
138 HD11 LEU 23 1HD1 LEU 23 2.221 15.336 -3.668
139 HD12 LEU 23 2HD1 LEU 23 3.870 14.716 -3.604
140 HD13 LEU 23 3HD1 LEU 23 3.583 16.455 -3.609
141 HD21 LEU 23 3HD2 LEU 23 1.115 16.046 -1.373
142 HD22 LEU 23 1HD2 LEU 23 1.772 14.872 -0.233
143 HD23 LEU 23 2HD2 LEU 23 1.335 14.366 -1.865
144 H GLN 24 H GLN 24 4.580 12.110 0.887
145 HA GLN 24 HA GLN 24 7.073 11.000 -0.189
146 HB2 GLN 24 1HB GLN 24 6.360 11.305 2.723
147 HB3 GLN 24 2HB GLN 24 7.954 11.078 2.017
148 HG2 GLN 24 1HG GLN 24 7.336 13.356 0.818
149 HG3 GLN 24 2HG GLN 24 6.303 13.527 2.236
150 HE21 GLN 24 1HE2 GLN 24 7.295 14.922 3.519
151 HE22 GLN 24 2HE2 GLN 24 8.945 14.834 4.022
152 H ALA 25 H ALA 25 6.975 8.931 -0.740
153 HA ALA 25 HA ALA 25 5.097 7.067 -0.390
154 HB1 ALA 25 3HB ALA 25 7.807 6.007 0.108
155 HB2 ALA 25 1HB ALA 25 6.604 5.537 -1.093
156 HB3 ALA 25 2HB ALA 25 7.597 6.971 -1.354
157 H SER 26 H SER 26 7.812 7.369 1.910
158 HA SER 26 HA SER 26 7.129 5.547 3.790
159 HB2 SER 26 1HB SER 26 8.139 7.097 5.494
160 HB3 SER 26 2HB SER 26 9.128 6.863 4.053
161 HG SER 26 HG SER 26 7.871 8.869 3.335
162 H ASN 27 H ASN 27 5.992 8.929 3.858
163 HA ASN 27 HA ASN 27 4.238 8.658 6.006
164 HB2 ASN 27 1HB ASN 27 4.407 10.555 3.692
165 HB3 ASN 27 2HB ASN 27 3.018 10.625 4.772
166 HD21 ASN 27 1HD2 ASN 27 6.542 10.706 4.706
167 HD22 ASN 27 2HD2 ASN 27 6.723 11.721 6.093
168 H PHE 28 H PHE 28 3.872 7.793 2.652
169 HA PHE 28 HA PHE 28 1.022 7.457 2.773
170 HB2 PHE 28 1HB PHE 28 1.872 7.954 0.624
171 HB3 PHE 28 2HB PHE 28 3.126 6.724 0.747
172 HD1 PHE 28 HD2 PHE 28 -0.417 7.355 0.092
173 HD2 PHE 28 HD1 PHE 28 2.645 4.407 0.308
174 HE1 PHE 28 HE2 PHE 28 -1.879 5.757 -1.076
175 HE2 PHE 28 HE1 PHE 28 1.188 2.804 -0.860
176 HZ PHE 28 HZ PHE 28 -1.077 3.478 -1.553
177 H ILE 29 H ILE 29 3.834 5.447 3.263
178 HA ILE 29 HA ILE 29 2.447 2.952 3.186
179 HB ILE 29 HB ILE 29 5.103 3.599 4.472
180 HG12 ILE 29 1HG1 ILE 29 4.544 2.448 1.732
181 HG13 ILE 29 2HG1 ILE 29 4.949 4.134 2.031
182 HG21 ILE 29 1HG2 ILE 29 4.246 1.527 5.318
183 HG22 ILE 29 2HG2 ILE 29 3.826 0.984 3.694
184 HG23 ILE 29 3HG2 ILE 29 5.519 1.165 4.152
185 HD11 ILE 29 3HD1 ILE 29 6.878 2.389 3.256
186 HD12 ILE 29 1HD1 ILE 29 6.704 2.038 1.536
187 HD13 ILE 29 2HD1 ILE 29 7.111 3.670 2.067
188 H GLN 30 H GLN 30 3.707 4.967 5.838
189 HA GLN 30 HA GLN 30 2.745 3.340 7.926
190 HB2 GLN 30 1HB GLN 30 3.109 6.322 8.128
191 HB3 GLN 30 2HB GLN 30 3.311 5.113 9.389
192 HG2 GLN 30 1HG GLN 30 5.194 4.213 7.826
193 HG3 GLN 30 2HG GLN 30 5.137 5.841 7.152
194 HE21 GLN 30 1HE2 GLN 30 7.366 4.762 8.449
195 HE22 GLN 30 2HE2 GLN 30 7.642 5.657 9.901
196 H HIS 31 H HIS 31 1.028 5.038 5.673
197 HA HIS 31 HA HIS 31 -1.171 5.733 7.473
198 HB2 HIS 31 1HB HIS 31 -0.876 7.494 5.989
199 HB3 HIS 31 2HB HIS 31 -0.474 6.429 4.645
200 HD1 HIS 31 HD1 HIS 31 -3.436 7.721 6.582
201 HD2 HIS 31 HD2 HIS 31 -2.605 5.657 3.073
202 HE1 HIS 31 HE1 HIS 31 -5.615 7.615 5.332
203 H ARG 32 H ARG 32 -0.353 3.563 4.834
204 HA ARG 32 HA ARG 32 -2.966 2.521 4.452
205 HB2 ARG 32 1HB ARG 32 -0.312 1.213 3.833
206 HB3 ARG 32 2HB ARG 32 -1.875 0.763 3.165
207 HG2 ARG 32 1HG ARG 32 -0.945 3.557 2.785
208 HG3 ARG 32 2HG ARG 32 -0.178 2.280 1.838
209 HD2 ARG 32 1HD ARG 32 -3.111 2.966 1.940
210 HD3 ARG 32 2HD ARG 32 -2.012 3.188 0.579
211 HE ARG 32 HE ARG 32 -3.362 0.781 1.326
212 HH11 ARG 32 1HH1 ARG 32 -0.505 2.059 -0.199
213 HH12 ARG 32 2HH1 ARG 32 -0.233 0.649 -1.169
214 HH21 ARG 32 1HH2 ARG 32 -3.015 -1.080 0.054
215 HH22 ARG 32 2HH2 ARG 32 -1.663 -1.136 -1.025
216 H ARG 33 H ARG 33 -0.735 2.152 6.949
217 HA ARG 33 HA ARG 33 -1.309 -0.552 7.671
218 HB2 ARG 33 1HB ARG 33 -0.437 1.181 9.854
219 HB3 ARG 33 2HB ARG 33 0.314 -0.267 9.198
220 HG2 ARG 33 1HG ARG 33 0.940 1.369 7.227
221 HG3 ARG 33 2HG ARG 33 0.747 2.582 8.494
222 HD2 ARG 33 1HD ARG 33 2.353 0.160 9.112
223 HD3 ARG 33 2HD ARG 33 3.062 1.370 8.043
224 HE ARG 33 HE ARG 33 2.133 2.795 10.180
225 HH11 ARG 33 1HH1 ARG 33 4.310 0.112 9.757
226 HH12 ARG 33 2HH1 ARG 33 5.281 0.513 11.134
227 HH21 ARG 33 1HH2 ARG 33 3.404 3.334 11.997
228 HH22 ARG 33 2HH2 ARG 33 4.764 2.346 12.408
229 H ILE 34 H ILE 34 -2.452 2.615 8.778
230 HA ILE 34 HA ILE 34 -3.968 2.025 10.937
231 HB ILE 34 HB ILE 34 -5.257 3.916 10.538
232 HG12 ILE 34 1HG1 ILE 34 -4.829 3.537 7.566
233 HG13 ILE 34 2HG1 ILE 34 -6.288 3.089 8.443
234 HG21 ILE 34 1HG2 ILE 34 -2.563 4.025 10.029
235 HG22 ILE 34 2HG2 ILE 34 -3.255 4.888 8.656
236 HG23 ILE 34 3HG2 ILE 34 -3.615 5.414 10.300
237 HD11 ILE 34 3HD1 ILE 34 -6.635 5.174 7.314
238 HD12 ILE 34 1HD1 ILE 34 -6.598 5.458 9.054
239 HD13 ILE 34 2HD1 ILE 34 -5.196 5.864 8.063
240 H HIS 35 H HIS 35 -4.789 1.325 7.581
241 HA HIS 35 HA HIS 35 -7.415 0.350 8.189
242 HB2 HIS 35 1HB HIS 35 -5.818 -0.227 5.694
243 HB3 HIS 35 2HB HIS 35 -7.570 -0.222 5.878
244 HD1 HIS 35 HD1 HIS 35 -8.495 2.315 6.640
245 HD2 HIS 35 HD2 HIS 35 -4.903 2.045 4.570
246 HE1 HIS 35 HE1 HIS 35 -8.103 4.603 5.671
247 H THR 36 H THR 36 -4.221 -1.024 7.944
248 HA THR 36 HA THR 36 -4.957 -3.740 7.700
249 HB THR 36 HB THR 36 -2.708 -4.288 8.263
250 HG1 THR 36 HG1 THR 36 -1.324 -2.648 9.195
251 HG21 THR 36 3HG2 THR 36 -2.639 -3.374 6.132
252 HG22 THR 36 1HG2 THR 36 -1.425 -2.419 6.982
253 HG23 THR 36 2HG2 THR 36 -3.034 -1.753 6.703
254 H GLY 37 H GLY 37 -4.839 -1.561 10.403
255 HA2 GLY 37 1HA GLY 37 -6.452 -2.744 12.145
256 HA3 GLY 37 2HA GLY 37 -5.014 -3.734 12.343
257 H GLU 38 H GLU 38 -3.648 -0.964 11.599
258 HA GLU 38 HA GLU 38 -3.026 -0.320 14.321
259 HB2 GLU 38 1HB GLU 38 -2.249 1.052 11.742
260 HB3 GLU 38 2HB GLU 38 -1.585 1.433 13.324
261 HG2 GLU 38 1HG GLU 38 -1.416 -1.337 12.208
262 HG3 GLU 38 2HG GLU 38 -0.247 -0.097 11.760
263 H LYS 39 H LYS 39 -5.664 0.018 14.215
264 HA LYS 39 HA LYS 39 -5.979 2.796 14.852
265 HB2 LYS 39 1HB LYS 39 -6.288 2.919 12.433
266 HB3 LYS 39 2HB LYS 39 -7.505 1.652 12.505
267 HG2 LYS 39 1HG LYS 39 -8.797 3.223 14.048
268 HG3 LYS 39 2HG LYS 39 -7.684 4.476 13.493
269 HD2 LYS 39 1HD LYS 39 -9.543 4.646 12.067
270 HD3 LYS 39 2HD LYS 39 -8.334 3.765 11.128
271 HE2 LYS 39 1HE LYS 39 -9.467 1.646 12.004
272 HE3 LYS 39 2HE LYS 39 -10.790 2.703 12.494
273 HZ1 LYS 39 3HZ LYS 39 -11.187 3.319 10.269
274 HZ2 LYS 39 1HZ LYS 39 -11.016 1.636 10.252
275 HZ3 LYS 39 2HZ LYS 39 -9.747 2.621 9.722
276 HA PRO 40 HA PRO 40 -8.840 0.943 17.644
277 HB2 PRO 40 1HB PRO 40 -10.149 3.185 18.439
278 HB3 PRO 40 2HB PRO 40 -8.509 2.792 18.968
279 HG2 PRO 40 1HG PRO 40 -9.405 4.661 16.808
280 HG3 PRO 40 2HG PRO 40 -8.141 4.888 18.030
281 HD2 PRO 40 1HD PRO 40 -7.588 4.186 15.474
282 HD3 PRO 40 2HD PRO 40 -6.600 3.648 16.847
283 H SER 41 H SER 41 -11.175 0.748 18.043
284 HA SER 41 HA SER 41 -12.695 -0.064 16.018
285 HB2 SER 41 1HB SER 41 -13.698 1.553 18.372
286 HB3 SER 41 2HB SER 41 -14.725 0.584 17.316
287 HG SER 41 HG SER 41 -13.832 -0.364 19.386
288 H GLY 42 H GLY 42 -13.269 3.231 17.262
289 HA2 GLY 42 1HA GLY 42 -12.971 4.596 14.852
290 HA3 GLY 42 2HA GLY 42 -14.646 4.071 14.937
291 HA PRO 43 HA PRO 43 -14.057 7.017 18.717
292 HB2 PRO 43 1HB PRO 43 -11.661 8.273 18.944
293 HB3 PRO 43 2HB PRO 43 -11.997 6.705 19.687
294 HG2 PRO 43 1HG PRO 43 -10.557 7.322 17.136
295 HG3 PRO 43 2HG PRO 43 -10.138 6.155 18.403
296 HD2 PRO 43 1HD PRO 43 -11.343 5.425 16.091
297 HD3 PRO 43 2HD PRO 43 -11.635 4.584 17.627
298 H SER 44 H SER 44 -13.103 7.567 15.512
299 HA SER 44 HA SER 44 -13.309 10.464 15.665
300 HB2 SER 44 1HB SER 44 -11.638 9.366 14.170
301 HB3 SER 44 2HB SER 44 -12.971 8.705 13.223
302 HG SER 44 HG SER 44 -12.275 10.609 12.269
303 H SER 45 H SER 45 -15.633 9.055 16.444
304 HA SER 45 HA SER 45 -17.498 9.143 14.233
305 HB2 SER 45 1HB SER 45 -17.765 8.482 17.163
306 HB3 SER 45 2HB SER 45 -19.173 8.628 16.111
307 HG SER 45 HG SER 45 -17.845 7.074 14.734
308 H GLY 46 H GLY 46 -16.984 10.920 17.271
309 HA2 GLY 46 1HA GLY 46 -17.229 13.276 17.448
310 HA3 GLY 46 2HA GLY 46 -18.280 13.245 16.040
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -4.590 25.876 -19.380
2 HA2 GLY 1 1HA GLY 1 -4.036 26.642 -17.275
3 HA3 GLY 1 2HA GLY 1 -3.919 24.925 -16.918
4 H SER 2 H SER 2 -2.193 27.858 -17.464
5 HA SER 2 HA SER 2 0.402 26.569 -17.521
6 HB2 SER 2 1HB SER 2 -0.556 29.408 -17.693
7 HB3 SER 2 2HB SER 2 1.140 29.072 -17.349
8 HG SER 2 HG SER 2 -0.006 27.687 -19.468
9 H SER 3 H SER 3 -0.620 25.665 -15.298
10 HA SER 3 HA SER 3 0.072 27.419 -13.073
11 HB2 SER 3 1HB SER 3 -1.028 24.600 -12.993
12 HB3 SER 3 2HB SER 3 -0.946 25.741 -11.650
13 HG SER 3 HG SER 3 -2.903 26.197 -12.303
14 H GLY 4 H GLY 4 2.323 26.968 -14.408
15 HA2 GLY 4 1HA GLY 4 4.461 26.494 -13.366
16 HA3 GLY 4 2HA GLY 4 3.747 25.038 -12.691
17 H SER 5 H SER 5 5.995 25.903 -14.750
18 HA SER 5 HA SER 5 5.281 24.002 -16.868
19 HB2 SER 5 1HB SER 5 7.554 26.000 -16.750
20 HB3 SER 5 2HB SER 5 7.147 24.982 -18.131
21 HG SER 5 HG SER 5 5.934 26.614 -18.667
22 H SER 6 H SER 6 5.884 22.909 -14.377
23 HA SER 6 HA SER 6 8.553 21.740 -14.824
24 HB2 SER 6 1HB SER 6 8.540 21.207 -12.389
25 HB3 SER 6 2HB SER 6 8.470 22.939 -12.714
26 HG SER 6 HG SER 6 6.908 22.600 -11.232
27 H GLY 7 H GLY 7 5.270 21.007 -13.664
28 HA2 GLY 7 1HA GLY 7 4.618 18.852 -15.092
29 HA3 GLY 7 2HA GLY 7 5.757 18.151 -13.951
30 H HIS 8 H HIS 8 5.259 18.314 -11.664
31 HA HIS 8 HA HIS 8 3.817 17.764 -9.973
32 HB2 HIS 8 1HB HIS 8 3.769 20.248 -9.975
33 HB3 HIS 8 2HB HIS 8 2.361 20.197 -11.031
34 HD2 HIS 8 HD2 HIS 8 3.020 18.380 -7.562
35 HE1 HIS 8 HE1 HIS 8 -0.750 20.325 -7.486
36 HE2 HIS 8 HE2 HIS 8 0.913 18.959 -6.178
37 H GLY 9 H GLY 9 3.311 16.138 -12.087
38 HA2 GLY 9 1HA GLY 9 0.517 16.210 -12.808
39 HA3 GLY 9 2HA GLY 9 1.675 14.957 -13.231
40 H GLU 10 H GLU 10 0.748 16.166 -10.027
41 HA GLU 10 HA GLU 10 -0.293 15.156 -8.265
42 HB2 GLU 10 1HB GLU 10 -1.768 14.271 -10.287
43 HB3 GLU 10 2HB GLU 10 -1.016 12.741 -9.857
44 HG2 GLU 10 1HG GLU 10 -1.788 13.471 -7.432
45 HG3 GLU 10 2HG GLU 10 -2.977 14.380 -8.363
46 H ARG 11 H ARG 11 2.434 14.846 -8.633
47 HA ARG 11 HA ARG 11 3.302 12.156 -8.448
48 HB2 ARG 11 1HB ARG 11 4.634 14.721 -7.559
49 HB3 ARG 11 2HB ARG 11 5.428 13.152 -7.611
50 HG2 ARG 11 1HG ARG 11 6.107 13.972 -9.613
51 HG3 ARG 11 2HG ARG 11 4.592 13.222 -10.121
52 HD2 ARG 11 1HD ARG 11 3.524 15.231 -10.381
53 HD3 ARG 11 2HD ARG 11 4.525 16.041 -9.176
54 HE ARG 11 HE ARG 11 5.887 16.702 -10.872
55 HH11 ARG 11 1HH1 ARG 11 4.189 13.837 -11.887
56 HH12 ARG 11 2HH1 ARG 11 4.858 13.849 -13.485
57 HH21 ARG 11 1HH2 ARG 11 6.775 16.728 -12.973
58 HH22 ARG 11 2HH2 ARG 11 6.329 15.493 -14.102
59 H GLY 12 H GLY 12 2.081 11.081 -6.896
60 HA2 GLY 12 1HA GLY 12 3.064 11.265 -4.220
61 HA3 GLY 12 2HA GLY 12 1.428 11.894 -4.347
62 H HIS 13 H HIS 13 0.588 10.258 -3.032
63 HA HIS 13 HA HIS 13 0.053 7.782 -4.455
64 HB2 HIS 13 1HB HIS 13 1.309 7.805 -1.702
65 HB3 HIS 13 2HB HIS 13 0.661 6.378 -2.505
66 HD2 HIS 13 HD2 HIS 13 3.772 8.732 -2.710
67 HE1 HIS 13 HE1 HIS 13 4.443 5.370 -5.210
68 HE2 HIS 13 HE2 HIS 13 5.474 7.397 -4.128
69 H ARG 14 H ARG 14 -2.095 7.759 -4.460
70 HA ARG 14 HA ARG 14 -3.583 8.847 -2.206
71 HB2 ARG 14 1HB ARG 14 -4.260 9.460 -4.487
72 HB3 ARG 14 2HB ARG 14 -4.545 7.765 -4.860
73 HG2 ARG 14 1HG ARG 14 -6.201 7.841 -2.885
74 HG3 ARG 14 2HG ARG 14 -6.108 9.592 -3.085
75 HD2 ARG 14 1HD ARG 14 -6.757 7.695 -5.331
76 HD3 ARG 14 2HD ARG 14 -7.985 8.453 -4.318
77 HE ARG 14 HE ARG 14 -6.335 10.467 -5.319
78 HH11 ARG 14 1HH1 ARG 14 -8.620 8.116 -6.488
79 HH12 ARG 14 2HH1 ARG 14 -9.113 9.076 -7.843
80 HH21 ARG 14 1HH2 ARG 14 -6.974 11.741 -7.099
81 HH22 ARG 14 2HH2 ARG 14 -8.175 11.138 -8.191
82 H CYS 15 H CYS 15 -4.862 7.684 -0.844
83 HA CYS 15 HA CYS 15 -4.373 4.832 -0.730
84 HB2 CYS 15 1HB CYS 15 -4.269 6.088 1.342
85 HB3 CYS 15 2HB CYS 15 -5.906 6.688 1.100
86 H SER 16 H SER 16 -6.060 3.252 -0.553
87 HA SER 16 HA SER 16 -8.425 3.977 -2.143
88 HB2 SER 16 1HB SER 16 -6.888 1.416 -1.808
89 HB3 SER 16 2HB SER 16 -8.559 1.387 -2.370
90 HG SER 16 HG SER 16 -7.821 1.908 -4.254
91 H ASP 17 H ASP 17 -7.358 2.564 0.865
92 HA ASP 17 HA ASP 17 -9.747 1.404 1.736
93 HB2 ASP 17 1HB ASP 17 -7.532 2.704 3.334
94 HB3 ASP 17 2HB ASP 17 -8.822 1.729 4.034
95 H CYS 18 H CYS 18 -8.496 4.691 2.275
96 HA CYS 18 HA CYS 18 -11.194 5.494 3.139
97 HB2 CYS 18 1HB CYS 18 -10.020 7.477 4.150
98 HB3 CYS 18 2HB CYS 18 -9.606 5.927 4.876
99 H GLY 19 H GLY 19 -8.418 6.496 1.167
100 HA2 GLY 19 1HA GLY 19 -8.838 7.303 -1.086
101 HA3 GLY 19 2HA GLY 19 -10.296 8.071 -0.476
102 H LYS 20 H LYS 20 -7.136 8.133 1.078
103 HA LYS 20 HA LYS 20 -7.201 11.046 0.996
104 HB2 LYS 20 1HB LYS 20 -5.813 8.995 2.639
105 HB3 LYS 20 2HB LYS 20 -4.990 10.533 2.418
106 HG2 LYS 20 1HG LYS 20 -6.834 11.726 3.379
107 HG3 LYS 20 2HG LYS 20 -7.804 10.254 3.450
108 HD2 LYS 20 1HD LYS 20 -6.669 9.430 5.254
109 HD3 LYS 20 2HD LYS 20 -5.165 10.242 4.816
110 HE2 LYS 20 1HE LYS 20 -5.777 12.211 5.821
111 HE3 LYS 20 2HE LYS 20 -7.501 11.904 5.617
112 HZ1 LYS 20 3HZ LYS 20 -7.601 11.030 7.636
113 HZ2 LYS 20 1HZ LYS 20 -6.000 11.512 7.896
114 HZ3 LYS 20 2HZ LYS 20 -6.332 9.959 7.315
115 H PHE 21 H PHE 21 -4.728 11.912 0.960
116 HA PHE 21 HA PHE 21 -3.350 10.699 -1.325
117 HB2 PHE 21 1HB PHE 21 -4.846 12.549 -2.125
118 HB3 PHE 21 2HB PHE 21 -3.913 13.663 -1.132
119 HD1 PHE 21 HD1 PHE 21 -3.712 11.341 -4.000
120 HD2 PHE 21 HD2 PHE 21 -1.866 14.540 -1.884
121 HE1 PHE 21 HE1 PHE 21 -2.110 11.632 -5.844
122 HE2 PHE 21 HE2 PHE 21 -0.262 14.837 -3.725
123 HZ PHE 21 HZ PHE 21 -0.383 13.383 -5.709
124 H PHE 22 H PHE 22 -1.123 11.212 -1.483
125 HA PHE 22 HA PHE 22 0.072 12.720 0.709
126 HB2 PHE 22 1HB PHE 22 0.821 9.849 0.116
127 HB3 PHE 22 2HB PHE 22 1.619 10.902 1.279
128 HD1 PHE 22 HD2 PHE 22 -1.810 9.662 0.483
129 HD2 PHE 22 HD1 PHE 22 1.034 10.678 3.483
130 HE1 PHE 22 HE2 PHE 22 -3.386 8.925 2.223
131 HE2 PHE 22 HE1 PHE 22 -0.537 9.942 5.227
132 HZ PHE 22 HZ PHE 22 -2.751 9.065 4.598
133 H LEU 23 H LEU 23 2.595 12.624 0.397
134 HA LEU 23 HA LEU 23 3.184 12.835 -2.480
135 HB2 LEU 23 1HB LEU 23 3.863 14.734 -0.256
136 HB3 LEU 23 2HB LEU 23 4.778 14.705 -1.762
137 HG LEU 23 HG LEU 23 3.089 16.492 -1.708
138 HD11 LEU 23 1HD1 LEU 23 3.688 14.798 -3.768
139 HD12 LEU 23 2HD1 LEU 23 2.786 16.306 -3.913
140 HD13 LEU 23 3HD1 LEU 23 1.925 14.775 -3.762
141 HD21 LEU 23 3HD2 LEU 23 0.912 16.178 -1.234
142 HD22 LEU 23 1HD2 LEU 23 1.494 14.720 -0.430
143 HD23 LEU 23 2HD2 LEU 23 0.846 14.624 -2.068
144 H GLN 24 H GLN 24 4.344 12.139 0.754
145 HA GLN 24 HA GLN 24 6.874 11.141 -0.340
146 HB2 GLN 24 1HB GLN 24 6.069 11.521 2.548
147 HB3 GLN 24 2HB GLN 24 7.671 11.098 1.961
148 HG2 GLN 24 1HG GLN 24 6.337 13.632 1.098
149 HG3 GLN 24 2HG GLN 24 7.196 13.530 2.633
150 HE21 GLN 24 1HE2 GLN 24 9.436 13.163 2.622
151 HE22 GLN 24 2HE2 GLN 24 10.395 13.484 1.222
152 H ALA 25 H ALA 25 6.863 9.078 -0.923
153 HA ALA 25 HA ALA 25 5.074 7.129 -0.620
154 HB1 ALA 25 3HB ALA 25 7.531 5.818 -0.120
155 HB2 ALA 25 1HB ALA 25 6.672 5.992 -1.651
156 HB3 ALA 25 2HB ALA 25 7.865 7.198 -1.166
157 H SER 26 H SER 26 7.795 7.335 1.683
158 HA SER 26 HA SER 26 7.068 5.516 3.534
159 HB2 SER 26 1HB SER 26 8.088 7.053 5.272
160 HB3 SER 26 2HB SER 26 9.093 6.745 3.855
161 HG SER 26 HG SER 26 8.430 9.069 4.786
162 H ASN 27 H ASN 27 6.029 8.927 3.713
163 HA ASN 27 HA ASN 27 4.283 8.678 5.849
164 HB2 ASN 27 1HB ASN 27 3.959 10.515 3.466
165 HB3 ASN 27 2HB ASN 27 3.239 10.738 5.058
166 HD21 ASN 27 1HD2 ASN 27 4.273 12.788 5.112
167 HD22 ASN 27 2HD2 ASN 27 5.947 12.915 5.520
168 H PHE 28 H PHE 28 3.818 7.887 2.474
169 HA PHE 28 HA PHE 28 0.980 7.531 2.681
170 HB2 PHE 28 1HB PHE 28 1.777 8.079 0.520
171 HB3 PHE 28 2HB PHE 28 3.016 6.828 0.574
172 HD1 PHE 28 HD2 PHE 28 -0.559 7.502 0.110
173 HD2 PHE 28 HD1 PHE 28 2.509 4.553 0.035
174 HE1 PHE 28 HE2 PHE 28 -2.081 5.953 -1.047
175 HE2 PHE 28 HE1 PHE 28 0.993 3.000 -1.124
176 HZ PHE 28 HZ PHE 28 -1.306 3.698 -1.665
177 H ILE 29 H ILE 29 3.804 5.524 3.069
178 HA ILE 29 HA ILE 29 2.413 3.026 2.976
179 HB ILE 29 HB ILE 29 5.114 3.640 4.182
180 HG12 ILE 29 1HG1 ILE 29 4.451 2.572 1.430
181 HG13 ILE 29 2HG1 ILE 29 4.888 4.244 1.766
182 HG21 ILE 29 1HG2 ILE 29 4.374 1.555 5.018
183 HG22 ILE 29 2HG2 ILE 29 3.744 1.066 3.445
184 HG23 ILE 29 3HG2 ILE 29 5.485 1.188 3.698
185 HD11 ILE 29 3HD1 ILE 29 7.048 3.760 1.745
186 HD12 ILE 29 1HD1 ILE 29 6.829 2.408 2.855
187 HD13 ILE 29 2HD1 ILE 29 6.603 2.172 1.122
188 H GLN 30 H GLN 30 3.747 5.010 5.613
189 HA GLN 30 HA GLN 30 2.879 3.339 7.709
190 HB2 GLN 30 1HB GLN 30 3.209 6.319 7.961
191 HB3 GLN 30 2HB GLN 30 3.497 5.081 9.177
192 HG2 GLN 30 1HG GLN 30 5.302 4.278 7.435
193 HG3 GLN 30 2HG GLN 30 5.207 5.960 6.916
194 HE21 GLN 30 1HE2 GLN 30 6.395 7.393 7.966
195 HE22 GLN 30 2HE2 GLN 30 7.163 7.144 9.493
196 H HIS 31 H HIS 31 1.066 5.049 5.545
197 HA HIS 31 HA HIS 31 -1.073 5.697 7.432
198 HB2 HIS 31 1HB HIS 31 -0.840 7.481 5.962
199 HB3 HIS 31 2HB HIS 31 -0.492 6.436 4.588
200 HD1 HIS 31 HD1 HIS 31 -3.376 7.675 6.675
201 HD2 HIS 31 HD2 HIS 31 -2.683 5.690 3.091
202 HE1 HIS 31 HE1 HIS 31 -5.606 7.579 5.517
203 H ARG 32 H ARG 32 -0.324 3.567 4.743
204 HA ARG 32 HA ARG 32 -2.946 2.502 4.453
205 HB2 ARG 32 1HB ARG 32 -0.312 1.239 3.676
206 HB3 ARG 32 2HB ARG 32 -1.902 0.802 3.065
207 HG2 ARG 32 1HG ARG 32 -1.033 3.614 2.725
208 HG3 ARG 32 2HG ARG 32 -0.252 2.384 1.729
209 HD2 ARG 32 1HD ARG 32 -3.236 2.738 1.963
210 HD3 ARG 32 2HD ARG 32 -2.253 3.442 0.680
211 HE ARG 32 HE ARG 32 -1.824 0.647 0.851
212 HH11 ARG 32 1HH1 ARG 32 -4.136 3.015 -0.231
213 HH12 ARG 32 2HH1 ARG 32 -4.811 1.989 -1.453
214 HH21 ARG 32 1HH2 ARG 32 -2.703 -0.713 -0.756
215 HH22 ARG 32 2HH2 ARG 32 -3.995 -0.131 -1.750
216 H ARG 33 H ARG 33 -0.687 2.182 6.887
217 HA ARG 33 HA ARG 33 -1.163 -0.573 7.558
218 HB2 ARG 33 1HB ARG 33 -0.181 1.120 9.725
219 HB3 ARG 33 2HB ARG 33 0.542 -0.309 8.997
220 HG2 ARG 33 1HG ARG 33 1.013 1.418 7.030
221 HG3 ARG 33 2HG ARG 33 0.952 2.554 8.379
222 HD2 ARG 33 1HD ARG 33 2.563 0.069 8.678
223 HD3 ARG 33 2HD ARG 33 3.201 1.369 7.672
224 HE ARG 33 HE ARG 33 2.308 2.252 10.254
225 HH11 ARG 33 1HH1 ARG 33 4.964 0.890 8.462
226 HH12 ARG 33 2HH1 ARG 33 6.172 1.464 9.563
227 HH21 ARG 33 1HH2 ARG 33 3.889 3.013 11.712
228 HH22 ARG 33 2HH2 ARG 33 5.559 2.671 11.412
229 H ILE 34 H ILE 34 -2.288 2.570 8.738
230 HA ILE 34 HA ILE 34 -3.676 1.930 10.980
231 HB ILE 34 HB ILE 34 -4.962 3.835 10.699
232 HG12 ILE 34 1HG1 ILE 34 -4.775 3.458 7.702
233 HG13 ILE 34 2HG1 ILE 34 -6.172 3.063 8.698
234 HG21 ILE 34 1HG2 ILE 34 -3.091 4.807 8.675
235 HG22 ILE 34 2HG2 ILE 34 -3.356 5.351 10.331
236 HG23 ILE 34 3HG2 ILE 34 -2.320 3.959 10.016
237 HD11 ILE 34 3HD1 ILE 34 -5.019 5.819 8.338
238 HD12 ILE 34 1HD1 ILE 34 -6.436 5.182 7.503
239 HD13 ILE 34 2HD1 ILE 34 -6.467 5.398 9.254
240 H HIS 35 H HIS 35 -4.694 1.339 7.652
241 HA HIS 35 HA HIS 35 -7.280 0.349 8.356
242 HB2 HIS 35 1HB HIS 35 -5.766 -0.200 5.801
243 HB3 HIS 35 2HB HIS 35 -7.510 -0.235 6.043
244 HD1 HIS 35 HD1 HIS 35 -8.509 2.249 6.788
245 HD2 HIS 35 HD2 HIS 35 -4.896 2.127 4.741
246 HE1 HIS 35 HE1 HIS 35 -8.190 4.559 5.847
247 H THR 36 H THR 36 -4.106 -1.035 8.050
248 HA THR 36 HA THR 36 -4.901 -3.753 7.824
249 HB THR 36 HB THR 36 -2.633 -4.333 8.190
250 HG1 THR 36 HG1 THR 36 -1.163 -2.889 9.160
251 HG21 THR 36 3HG2 THR 36 -1.403 -2.435 6.888
252 HG22 THR 36 1HG2 THR 36 -3.021 -1.755 6.722
253 HG23 THR 36 2HG2 THR 36 -2.671 -3.363 6.088
254 H GLY 37 H GLY 37 -6.143 -4.679 9.334
255 HA2 GLY 37 1HA GLY 37 -5.188 -5.288 11.889
256 HA3 GLY 37 2HA GLY 37 -6.250 -3.896 12.044
257 H GLU 38 H GLU 38 -8.467 -4.123 11.604
258 HA GLU 38 HA GLU 38 -9.559 -6.660 10.818
259 HB2 GLU 38 1HB GLU 38 -9.035 -7.151 13.153
260 HB3 GLU 38 2HB GLU 38 -9.916 -5.721 13.669
261 HG2 GLU 38 1HG GLU 38 -11.988 -6.690 12.795
262 HG3 GLU 38 2HG GLU 38 -11.098 -8.133 12.310
263 H LYS 39 H LYS 39 -11.707 -6.528 10.222
264 HA LYS 39 HA LYS 39 -13.063 -3.958 10.646
265 HB2 LYS 39 1HB LYS 39 -13.889 -4.187 8.234
266 HB3 LYS 39 2HB LYS 39 -12.228 -3.660 8.470
267 HG2 LYS 39 1HG LYS 39 -11.438 -5.923 8.017
268 HG3 LYS 39 2HG LYS 39 -13.104 -6.461 7.792
269 HD2 LYS 39 1HD LYS 39 -11.913 -4.229 6.169
270 HD3 LYS 39 2HD LYS 39 -11.754 -5.921 5.693
271 HE2 LYS 39 1HE LYS 39 -14.104 -6.169 5.481
272 HE3 LYS 39 2HE LYS 39 -14.407 -4.623 6.272
273 HZ1 LYS 39 3HZ LYS 39 -14.507 -4.834 3.691
274 HZ2 LYS 39 1HZ LYS 39 -12.828 -4.660 3.800
275 HZ3 LYS 39 2HZ LYS 39 -13.844 -3.453 4.408
276 HA PRO 40 HA PRO 40 -16.332 -6.721 11.814
277 HB2 PRO 40 1HB PRO 40 -18.240 -4.821 12.158
278 HB3 PRO 40 2HB PRO 40 -16.942 -5.101 13.325
279 HG2 PRO 40 1HG PRO 40 -17.154 -3.009 11.195
280 HG3 PRO 40 2HG PRO 40 -16.598 -2.847 12.871
281 HD2 PRO 40 1HD PRO 40 -14.888 -3.027 10.780
282 HD3 PRO 40 2HD PRO 40 -14.502 -3.673 12.388
283 H SER 41 H SER 41 -17.480 -7.936 10.462
284 HA SER 41 HA SER 41 -18.131 -7.137 7.826
285 HB2 SER 41 1HB SER 41 -18.855 -9.516 9.520
286 HB3 SER 41 2HB SER 41 -19.561 -9.296 7.920
287 HG SER 41 HG SER 41 -17.141 -8.948 7.389
288 H GLY 42 H GLY 42 -19.673 -5.757 7.268
289 HA2 GLY 42 1HA GLY 42 -22.276 -5.845 7.312
290 HA3 GLY 42 2HA GLY 42 -22.020 -5.458 9.007
291 HA PRO 43 HA PRO 43 -21.804 -1.173 8.136
292 HB2 PRO 43 1HB PRO 43 -19.745 -0.306 9.677
293 HB3 PRO 43 2HB PRO 43 -21.299 -0.815 10.348
294 HG2 PRO 43 1HG PRO 43 -18.732 -2.341 10.145
295 HG3 PRO 43 2HG PRO 43 -19.872 -2.245 11.499
296 HD2 PRO 43 1HD PRO 43 -19.811 -4.347 9.794
297 HD3 PRO 43 2HD PRO 43 -21.308 -3.786 10.564
298 H SER 44 H SER 44 -18.741 -2.897 7.856
299 HA SER 44 HA SER 44 -17.779 -0.875 5.954
300 HB2 SER 44 1HB SER 44 -16.261 -3.100 7.339
301 HB3 SER 44 2HB SER 44 -15.558 -1.889 6.267
302 HG SER 44 HG SER 44 -16.171 -1.706 8.898
303 H SER 45 H SER 45 -18.879 -1.469 4.107
304 HA SER 45 HA SER 45 -19.125 -4.125 3.173
305 HB2 SER 45 1HB SER 45 -20.593 -2.270 2.435
306 HB3 SER 45 2HB SER 45 -19.230 -1.555 1.574
307 HG SER 45 HG SER 45 -19.909 -4.219 1.046
308 H GLY 46 H GLY 46 -17.860 -5.360 1.887
309 HA2 GLY 46 1HA GLY 46 -15.241 -4.220 1.143
310 HA3 GLY 46 2HA GLY 46 -15.519 -5.911 1.529
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -4.892 24.353 -25.330
2 HA2 GLY 1 1HA GLY 1 -4.856 22.634 -23.100
3 HA3 GLY 1 2HA GLY 1 -4.983 24.385 -23.037
4 H SER 2 H SER 2 -6.403 24.122 -21.230
5 HA SER 2 HA SER 2 -9.160 23.561 -22.074
6 HB2 SER 2 1HB SER 2 -7.832 22.583 -19.538
7 HB3 SER 2 2HB SER 2 -9.574 22.549 -19.811
8 HG SER 2 HG SER 2 -7.564 20.986 -20.923
9 H SER 3 H SER 3 -10.772 24.743 -20.985
10 HA SER 3 HA SER 3 -9.755 27.180 -19.700
11 HB2 SER 3 1HB SER 3 -12.498 26.702 -20.884
12 HB3 SER 3 2HB SER 3 -11.821 28.245 -20.366
13 HG SER 3 HG SER 3 -11.464 28.228 -22.504
14 H GLY 4 H GLY 4 -10.714 27.990 -17.803
15 HA2 GLY 4 1HA GLY 4 -12.119 27.905 -15.918
16 HA3 GLY 4 2HA GLY 4 -12.646 26.303 -16.411
17 H SER 5 H SER 5 -11.892 24.637 -15.285
18 HA SER 5 HA SER 5 -9.273 24.835 -13.997
19 HB2 SER 5 1HB SER 5 -11.302 25.468 -12.450
20 HB3 SER 5 2HB SER 5 -11.549 23.723 -12.394
21 HG SER 5 HG SER 5 -10.179 24.509 -10.708
22 H SER 6 H SER 6 -8.245 22.870 -13.657
23 HA SER 6 HA SER 6 -9.544 20.359 -14.055
24 HB2 SER 6 1HB SER 6 -8.622 19.703 -16.145
25 HB3 SER 6 2HB SER 6 -9.307 21.306 -16.413
26 HG SER 6 HG SER 6 -7.393 21.939 -16.962
27 H GLY 7 H GLY 7 -8.389 18.756 -13.132
28 HA2 GLY 7 1HA GLY 7 -6.254 19.246 -11.462
29 HA3 GLY 7 2HA GLY 7 -6.648 17.659 -12.107
30 H HIS 8 H HIS 8 -4.161 19.627 -11.717
31 HA HIS 8 HA HIS 8 -2.764 18.546 -14.044
32 HB2 HIS 8 1HB HIS 8 -3.345 20.715 -14.852
33 HB3 HIS 8 2HB HIS 8 -2.897 21.475 -13.328
34 HD2 HIS 8 HD2 HIS 8 -0.944 19.532 -16.181
35 HE1 HIS 8 HE1 HIS 8 1.539 22.551 -14.532
36 HE2 HIS 8 HE2 HIS 8 1.308 20.796 -16.323
37 H GLY 9 H GLY 9 -0.879 17.680 -13.465
38 HA2 GLY 9 1HA GLY 9 1.218 17.635 -12.390
39 HA3 GLY 9 2HA GLY 9 0.633 18.837 -11.249
40 H GLU 10 H GLU 10 0.216 15.440 -12.196
41 HA GLU 10 HA GLU 10 -0.731 14.819 -9.500
42 HB2 GLU 10 1HB GLU 10 -0.616 13.162 -12.024
43 HB3 GLU 10 2HB GLU 10 -1.167 12.548 -10.471
44 HG2 GLU 10 1HG GLU 10 -3.068 13.906 -10.475
45 HG3 GLU 10 2HG GLU 10 -2.425 14.952 -11.739
46 H ARG 11 H ARG 11 0.658 14.174 -8.006
47 HA ARG 11 HA ARG 11 2.710 12.253 -8.571
48 HB2 ARG 11 1HB ARG 11 3.611 14.620 -9.206
49 HB3 ARG 11 2HB ARG 11 3.737 14.844 -7.466
50 HG2 ARG 11 1HG ARG 11 4.953 12.453 -8.789
51 HG3 ARG 11 2HG ARG 11 5.790 14.007 -8.769
52 HD2 ARG 11 1HD ARG 11 5.215 13.907 -6.204
53 HD3 ARG 11 2HD ARG 11 5.119 12.175 -6.517
54 HE ARG 11 HE ARG 11 7.515 13.311 -7.561
55 HH11 ARG 11 1HH1 ARG 11 5.994 12.187 -4.638
56 HH12 ARG 11 2HH1 ARG 11 7.490 11.802 -3.853
57 HH21 ARG 11 1HH2 ARG 11 9.491 12.808 -6.538
58 HH22 ARG 11 2HH2 ARG 11 9.478 12.156 -4.934
59 H GLY 12 H GLY 12 2.508 10.921 -6.902
60 HA2 GLY 12 1HA GLY 12 3.174 11.291 -4.328
61 HA3 GLY 12 2HA GLY 12 1.522 11.890 -4.350
62 H HIS 13 H HIS 13 0.638 10.313 -3.066
63 HA HIS 13 HA HIS 13 0.171 7.765 -4.367
64 HB2 HIS 13 1HB HIS 13 1.398 7.895 -1.604
65 HB3 HIS 13 2HB HIS 13 0.842 6.433 -2.414
66 HD2 HIS 13 HD2 HIS 13 3.843 8.926 -2.537
67 HE1 HIS 13 HE1 HIS 13 4.731 5.614 -5.034
68 HE2 HIS 13 HE2 HIS 13 5.641 7.679 -3.915
69 H ARG 14 H ARG 14 -1.988 7.842 -4.402
70 HA ARG 14 HA ARG 14 -3.454 8.874 -2.104
71 HB2 ARG 14 1HB ARG 14 -4.175 9.647 -4.282
72 HB3 ARG 14 2HB ARG 14 -4.366 7.992 -4.847
73 HG2 ARG 14 1HG ARG 14 -6.031 7.872 -2.794
74 HG3 ARG 14 2HG ARG 14 -6.110 9.611 -3.081
75 HD2 ARG 14 1HD ARG 14 -7.857 8.405 -4.306
76 HD3 ARG 14 2HD ARG 14 -6.737 9.223 -5.395
77 HE ARG 14 HE ARG 14 -5.729 6.705 -5.178
78 HH11 ARG 14 1HH1 ARG 14 -8.831 8.025 -6.047
79 HH12 ARG 14 2HH1 ARG 14 -9.231 6.723 -7.118
80 HH21 ARG 14 1HH2 ARG 14 -6.244 4.985 -6.585
81 HH22 ARG 14 2HH2 ARG 14 -7.759 4.994 -7.422
82 H CYS 15 H CYS 15 -4.792 7.679 -0.816
83 HA CYS 15 HA CYS 15 -4.348 4.817 -0.816
84 HB2 CYS 15 1HB CYS 15 -4.257 6.023 1.303
85 HB3 CYS 15 2HB CYS 15 -5.907 6.593 1.073
86 H SER 16 H SER 16 -6.026 3.249 -0.800
87 HA SER 16 HA SER 16 -8.369 4.085 -2.362
88 HB2 SER 16 1HB SER 16 -6.664 2.194 -3.063
89 HB3 SER 16 2HB SER 16 -7.638 1.209 -1.972
90 HG SER 16 HG SER 16 -8.177 1.781 -4.456
91 H ASP 17 H ASP 17 -7.373 2.577 0.614
92 HA ASP 17 HA ASP 17 -9.799 1.405 1.389
93 HB2 ASP 17 1HB ASP 17 -7.345 2.328 2.800
94 HB3 ASP 17 2HB ASP 17 -8.779 2.026 3.777
95 H CYS 18 H CYS 18 -8.474 4.619 2.166
96 HA CYS 18 HA CYS 18 -11.165 5.443 3.022
97 HB2 CYS 18 1HB CYS 18 -9.961 7.361 4.113
98 HB3 CYS 18 2HB CYS 18 -9.559 5.777 4.769
99 H GLY 19 H GLY 19 -8.366 6.504 1.109
100 HA2 GLY 19 1HA GLY 19 -8.763 7.403 -1.114
101 HA3 GLY 19 2HA GLY 19 -10.225 8.151 -0.487
102 H LYS 20 H LYS 20 -7.040 8.128 1.035
103 HA LYS 20 HA LYS 20 -7.110 11.044 1.109
104 HB2 LYS 20 1HB LYS 20 -5.718 8.914 2.643
105 HB3 LYS 20 2HB LYS 20 -4.888 10.456 2.488
106 HG2 LYS 20 1HG LYS 20 -6.814 11.599 3.454
107 HG3 LYS 20 2HG LYS 20 -7.660 10.056 3.597
108 HD2 LYS 20 1HD LYS 20 -6.802 10.208 5.707
109 HD3 LYS 20 2HD LYS 20 -5.455 9.392 4.910
110 HE2 LYS 20 1HE LYS 20 -4.139 11.272 4.912
111 HE3 LYS 20 2HE LYS 20 -5.519 12.369 4.922
112 HZ1 LYS 20 3HZ LYS 20 -5.463 10.809 7.288
113 HZ2 LYS 20 1HZ LYS 20 -5.426 12.492 7.119
114 HZ3 LYS 20 2HZ LYS 20 -3.986 11.606 7.083
115 H PHE 21 H PHE 21 -4.603 11.871 1.127
116 HA PHE 21 HA PHE 21 -3.255 10.783 -1.234
117 HB2 PHE 21 1HB PHE 21 -4.743 12.671 -1.941
118 HB3 PHE 21 2HB PHE 21 -3.814 13.734 -0.889
119 HD1 PHE 21 HD1 PHE 21 -3.686 11.662 -3.928
120 HD2 PHE 21 HD2 PHE 21 -1.682 14.555 -1.534
121 HE1 PHE 21 HE1 PHE 21 -2.080 12.052 -5.750
122 HE2 PHE 21 HE2 PHE 21 -0.073 14.951 -3.353
123 HZ PHE 21 HZ PHE 21 -0.271 13.699 -5.465
124 H PHE 22 H PHE 22 -1.026 11.298 -1.380
125 HA PHE 22 HA PHE 22 0.199 12.725 0.839
126 HB2 PHE 22 1HB PHE 22 0.922 9.850 0.234
127 HB3 PHE 22 2HB PHE 22 1.670 10.880 1.450
128 HD1 PHE 22 HD2 PHE 22 -1.720 9.654 0.485
129 HD2 PHE 22 HD1 PHE 22 0.988 10.626 3.622
130 HE1 PHE 22 HE2 PHE 22 -3.370 8.889 2.141
131 HE2 PHE 22 HE1 PHE 22 -0.658 9.862 5.284
132 HZ PHE 22 HZ PHE 22 -2.840 8.993 4.544
133 H LEU 23 H LEU 23 2.699 12.630 0.539
134 HA LEU 23 HA LEU 23 3.308 12.821 -2.337
135 HB2 LEU 23 1HB LEU 23 4.052 14.671 -0.092
136 HB3 LEU 23 2HB LEU 23 4.949 14.638 -1.608
137 HG LEU 23 HG LEU 23 3.312 16.470 -1.513
138 HD11 LEU 23 1HD1 LEU 23 3.032 16.317 -3.717
139 HD12 LEU 23 2HD1 LEU 23 2.049 14.860 -3.576
140 HD13 LEU 23 3HD1 LEU 23 3.808 14.737 -3.596
141 HD21 LEU 23 3HD2 LEU 23 1.062 16.187 -1.193
142 HD22 LEU 23 1HD2 LEU 23 1.688 14.904 -0.158
143 HD23 LEU 23 2HD2 LEU 23 1.076 14.519 -1.767
144 H GLN 24 H GLN 24 4.521 12.172 0.907
145 HA GLN 24 HA GLN 24 6.997 11.078 -0.202
146 HB2 GLN 24 1HB GLN 24 6.205 11.428 2.694
147 HB3 GLN 24 2HB GLN 24 7.802 11.010 2.087
148 HG2 GLN 24 1HG GLN 24 6.502 13.555 1.229
149 HG3 GLN 24 2HG GLN 24 7.284 13.445 2.806
150 HE21 GLN 24 1HE2 GLN 24 7.739 13.465 -0.628
151 HE22 GLN 24 2HE2 GLN 24 9.458 13.641 -0.609
152 H ALA 25 H ALA 25 7.052 9.002 -0.716
153 HA ALA 25 HA ALA 25 5.185 7.090 -0.466
154 HB1 ALA 25 3HB ALA 25 6.877 5.426 -0.742
155 HB2 ALA 25 1HB ALA 25 7.378 6.863 -1.634
156 HB3 ALA 25 2HB ALA 25 8.111 6.493 -0.073
157 H SER 26 H SER 26 7.864 7.348 1.882
158 HA SER 26 HA SER 26 7.133 5.499 3.718
159 HB2 SER 26 1HB SER 26 8.170 6.962 5.456
160 HB3 SER 26 2HB SER 26 9.150 6.814 3.997
161 HG SER 26 HG SER 26 8.077 9.024 5.117
162 H ASN 27 H ASN 27 6.036 8.893 3.824
163 HA ASN 27 HA ASN 27 4.284 8.664 5.959
164 HB2 ASN 27 1HB ASN 27 3.943 10.433 3.526
165 HB3 ASN 27 2HB ASN 27 3.200 10.680 5.104
166 HD21 ASN 27 1HD2 ASN 27 4.393 12.789 4.498
167 HD22 ASN 27 2HD2 ASN 27 5.981 12.948 5.161
168 H PHE 28 H PHE 28 3.831 7.830 2.583
169 HA PHE 28 HA PHE 28 1.010 7.417 2.775
170 HB2 PHE 28 1HB PHE 28 1.843 7.891 0.607
171 HB3 PHE 28 2HB PHE 28 3.083 6.647 0.727
172 HD1 PHE 28 HD2 PHE 28 -0.457 7.317 0.109
173 HD2 PHE 28 HD1 PHE 28 2.562 4.326 0.343
174 HE1 PHE 28 HE2 PHE 28 -1.957 5.720 -1.011
175 HE2 PHE 28 HE1 PHE 28 1.068 2.724 -0.778
176 HZ PHE 28 HZ PHE 28 -1.196 3.420 -1.455
177 H ILE 29 H ILE 29 3.852 5.441 3.243
178 HA ILE 29 HA ILE 29 2.490 2.932 3.235
179 HB ILE 29 HB ILE 29 5.158 3.626 4.470
180 HG12 ILE 29 1HG1 ILE 29 4.538 2.466 1.745
181 HG13 ILE 29 2HG1 ILE 29 5.007 4.136 2.042
182 HG21 ILE 29 1HG2 ILE 29 5.509 1.429 4.871
183 HG22 ILE 29 2HG2 ILE 29 3.748 1.397 4.948
184 HG23 ILE 29 3HG2 ILE 29 4.574 0.911 3.468
185 HD11 ILE 29 3HD1 ILE 29 6.715 2.155 1.378
186 HD12 ILE 29 1HD1 ILE 29 7.173 3.617 2.252
187 HD13 ILE 29 2HD1 ILE 29 6.839 2.128 3.136
188 H GLN 30 H GLN 30 3.727 5.041 5.820
189 HA GLN 30 HA GLN 30 2.836 3.430 7.958
190 HB2 GLN 30 1HB GLN 30 3.133 6.420 8.112
191 HB3 GLN 30 2HB GLN 30 3.409 5.228 9.375
192 HG2 GLN 30 1HG GLN 30 5.265 4.378 7.734
193 HG3 GLN 30 2HG GLN 30 5.149 6.018 7.097
194 HE21 GLN 30 1HE2 GLN 30 6.642 4.078 9.324
195 HE22 GLN 30 2HE2 GLN 30 7.246 5.294 10.392
196 H HIS 31 H HIS 31 1.050 5.016 5.691
197 HA HIS 31 HA HIS 31 -1.136 5.714 7.509
198 HB2 HIS 31 1HB HIS 31 -0.912 7.460 6.003
199 HB3 HIS 31 2HB HIS 31 -0.473 6.393 4.672
200 HD1 HIS 31 HD1 HIS 31 -3.481 7.602 6.595
201 HD2 HIS 31 HD2 HIS 31 -2.573 5.547 3.100
202 HE1 HIS 31 HE1 HIS 31 -5.653 7.415 5.342
203 H ARG 32 H ARG 32 -0.306 3.522 4.891
204 HA ARG 32 HA ARG 32 -2.904 2.423 4.559
205 HB2 ARG 32 1HB ARG 32 -0.223 1.183 3.911
206 HB3 ARG 32 2HB ARG 32 -1.784 0.660 3.290
207 HG2 ARG 32 1HG ARG 32 -0.882 3.465 2.829
208 HG3 ARG 32 2HG ARG 32 -0.229 2.156 1.840
209 HD2 ARG 32 1HD ARG 32 -3.132 2.898 2.177
210 HD3 ARG 32 2HD ARG 32 -2.143 3.132 0.736
211 HE ARG 32 HE ARG 32 -3.480 0.744 1.520
212 HH11 ARG 32 1HH1 ARG 32 -0.637 1.951 -0.087
213 HH12 ARG 32 2HH1 ARG 32 -0.433 0.537 -1.068
214 HH21 ARG 32 1HH2 ARG 32 -3.221 -1.122 0.235
215 HH22 ARG 32 2HH2 ARG 32 -1.904 -1.210 -0.885
216 H ARG 33 H ARG 33 -0.675 2.164 7.052
217 HA ARG 33 HA ARG 33 -1.149 -0.554 7.809
218 HB2 ARG 33 1HB ARG 33 -0.325 1.242 9.961
219 HB3 ARG 33 2HB ARG 33 0.466 -0.196 9.330
220 HG2 ARG 33 1HG ARG 33 1.023 1.439 7.324
221 HG3 ARG 33 2HG ARG 33 0.827 2.651 8.592
222 HD2 ARG 33 1HD ARG 33 2.484 0.264 9.200
223 HD3 ARG 33 2HD ARG 33 3.156 1.469 8.102
224 HE ARG 33 HE ARG 33 2.189 2.842 10.307
225 HH11 ARG 33 1HH1 ARG 33 4.612 0.438 9.623
226 HH12 ARG 33 2HH1 ARG 33 5.654 0.932 10.916
227 HH21 ARG 33 1HH2 ARG 33 3.552 3.502 12.013
228 HH22 ARG 33 2HH2 ARG 33 5.049 2.674 12.275
229 H ILE 34 H ILE 34 -2.408 2.590 8.847
230 HA ILE 34 HA ILE 34 -3.899 1.957 11.028
231 HB ILE 34 HB ILE 34 -5.193 3.839 10.656
232 HG12 ILE 34 1HG1 ILE 34 -4.855 3.428 7.676
233 HG13 ILE 34 2HG1 ILE 34 -6.290 3.011 8.607
234 HG21 ILE 34 1HG2 ILE 34 -3.204 4.760 8.701
235 HG22 ILE 34 2HG2 ILE 34 -3.620 5.402 10.289
236 HG23 ILE 34 3HG2 ILE 34 -2.538 4.017 10.154
237 HD11 ILE 34 3HD1 ILE 34 -6.411 5.152 7.315
238 HD12 ILE 34 1HD1 ILE 34 -6.778 5.284 9.035
239 HD13 ILE 34 2HD1 ILE 34 -5.207 5.805 8.425
240 H HIS 35 H HIS 35 -4.663 1.222 7.674
241 HA HIS 35 HA HIS 35 -7.289 0.222 8.247
242 HB2 HIS 35 1HB HIS 35 -5.617 -0.308 5.787
243 HB3 HIS 35 2HB HIS 35 -7.368 -0.421 5.931
244 HD1 HIS 35 HD1 HIS 35 -8.465 2.060 6.689
245 HD2 HIS 35 HD2 HIS 35 -4.849 2.008 4.643
246 HE1 HIS 35 HE1 HIS 35 -8.212 4.363 5.711
247 H THR 36 H THR 36 -4.076 -1.094 8.142
248 HA THR 36 HA THR 36 -4.773 -3.830 7.890
249 HB THR 36 HB THR 36 -2.527 -4.343 8.478
250 HG1 THR 36 HG1 THR 36 -2.770 -2.104 10.030
251 HG21 THR 36 3HG2 THR 36 -1.236 -2.499 7.206
252 HG22 THR 36 1HG2 THR 36 -2.826 -1.786 6.937
253 HG23 THR 36 2HG2 THR 36 -2.475 -3.409 6.342
254 H GLY 37 H GLY 37 -6.052 -4.852 9.294
255 HA2 GLY 37 1HA GLY 37 -5.625 -5.820 11.671
256 HA3 GLY 37 2HA GLY 37 -5.893 -4.148 12.141
257 H GLU 38 H GLU 38 -7.458 -6.568 10.034
258 HA GLU 38 HA GLU 38 -10.057 -5.606 10.998
259 HB2 GLU 38 1HB GLU 38 -9.340 -5.908 8.470
260 HB3 GLU 38 2HB GLU 38 -9.803 -7.577 8.770
261 HG2 GLU 38 1HG GLU 38 -12.028 -6.999 9.213
262 HG3 GLU 38 2HG GLU 38 -11.635 -5.292 9.405
263 H LYS 39 H LYS 39 -11.463 -6.896 12.075
264 HA LYS 39 HA LYS 39 -10.413 -9.412 13.091
265 HB2 LYS 39 1HB LYS 39 -12.787 -7.710 13.838
266 HB3 LYS 39 2HB LYS 39 -12.512 -9.301 14.535
267 HG2 LYS 39 1HG LYS 39 -10.406 -8.569 15.467
268 HG3 LYS 39 2HG LYS 39 -10.586 -6.992 14.695
269 HD2 LYS 39 1HD LYS 39 -11.288 -6.614 16.887
270 HD3 LYS 39 2HD LYS 39 -12.798 -6.839 16.001
271 HE2 LYS 39 1HE LYS 39 -12.956 -9.121 16.765
272 HE3 LYS 39 2HE LYS 39 -11.374 -9.010 17.535
273 HZ1 LYS 39 3HZ LYS 39 -12.305 -8.172 19.345
274 HZ2 LYS 39 1HZ LYS 39 -13.831 -8.440 18.665
275 HZ3 LYS 39 2HZ LYS 39 -13.068 -6.944 18.467
276 HA PRO 40 HA PRO 40 -12.762 -11.791 10.181
277 HB2 PRO 40 1HB PRO 40 -12.341 -14.214 11.332
278 HB3 PRO 40 2HB PRO 40 -11.108 -13.373 10.386
279 HG2 PRO 40 1HG PRO 40 -11.439 -13.524 13.357
280 HG3 PRO 40 2HG PRO 40 -9.960 -13.655 12.388
281 HD2 PRO 40 1HD PRO 40 -10.661 -11.379 13.676
282 HD3 PRO 40 2HD PRO 40 -9.769 -11.372 12.140
283 H SER 41 H SER 41 -14.263 -13.915 10.607
284 HA SER 41 HA SER 41 -16.644 -12.963 11.668
285 HB2 SER 41 1HB SER 41 -15.796 -15.853 11.348
286 HB3 SER 41 2HB SER 41 -17.455 -15.282 11.529
287 HG SER 41 HG SER 41 -15.864 -14.225 9.477
288 H GLY 42 H GLY 42 -14.509 -15.435 13.118
289 HA2 GLY 42 1HA GLY 42 -15.208 -14.401 15.768
290 HA3 GLY 42 2HA GLY 42 -15.566 -16.088 15.430
291 HA PRO 43 HA PRO 43 -10.737 -15.526 15.405
292 HB2 PRO 43 1HB PRO 43 -9.840 -13.292 16.660
293 HB3 PRO 43 2HB PRO 43 -10.173 -13.351 14.925
294 HG2 PRO 43 1HG PRO 43 -11.873 -12.283 17.146
295 HG3 PRO 43 2HG PRO 43 -11.558 -11.588 15.545
296 HD2 PRO 43 1HD PRO 43 -13.832 -12.938 16.125
297 HD3 PRO 43 2HD PRO 43 -13.097 -12.957 14.510
298 H SER 44 H SER 44 -9.299 -16.161 17.057
299 HA SER 44 HA SER 44 -10.473 -16.217 19.761
300 HB2 SER 44 1HB SER 44 -8.933 -18.374 18.306
301 HB3 SER 44 2HB SER 44 -9.273 -18.421 20.036
302 HG SER 44 HG SER 44 -11.031 -18.654 17.862
303 H SER 45 H SER 45 -9.319 -14.436 20.492
304 HA SER 45 HA SER 45 -6.392 -14.765 20.592
305 HB2 SER 45 1HB SER 45 -7.521 -12.703 19.422
306 HB3 SER 45 2HB SER 45 -7.725 -12.124 21.075
307 HG SER 45 HG SER 45 -5.726 -11.526 20.964
308 H GLY 46 H GLY 46 -9.001 -13.173 22.444
309 HA2 GLY 46 1HA GLY 46 -7.618 -13.085 24.881
310 HA3 GLY 46 2HA GLY 46 -9.365 -13.009 24.703
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -19.890 18.528 -26.999
2 HA2 GLY 1 1HA GLY 1 -18.868 16.664 -28.357
3 HA3 GLY 1 2HA GLY 1 -17.591 17.817 -28.713
4 H SER 2 H SER 2 -16.844 15.466 -27.667
5 HA SER 2 HA SER 2 -15.851 16.258 -25.041
6 HB2 SER 2 1HB SER 2 -17.596 13.888 -25.573
7 HB3 SER 2 2HB SER 2 -16.313 13.741 -24.373
8 HG SER 2 HG SER 2 -17.573 14.772 -23.063
9 H SER 3 H SER 3 -13.723 16.089 -25.148
10 HA SER 3 HA SER 3 -12.433 13.680 -25.991
11 HB2 SER 3 1HB SER 3 -11.113 14.676 -27.827
12 HB3 SER 3 2HB SER 3 -12.837 14.659 -28.199
13 HG SER 3 HG SER 3 -11.237 16.851 -27.394
14 H GLY 4 H GLY 4 -10.085 13.773 -25.695
15 HA2 GLY 4 1HA GLY 4 -8.507 15.796 -24.845
16 HA3 GLY 4 2HA GLY 4 -9.434 15.411 -23.402
17 H SER 5 H SER 5 -7.434 13.865 -25.904
18 HA SER 5 HA SER 5 -6.934 11.486 -24.520
19 HB2 SER 5 1HB SER 5 -5.504 12.957 -26.710
20 HB3 SER 5 2HB SER 5 -4.767 11.528 -25.986
21 HG SER 5 HG SER 5 -6.487 10.308 -26.654
22 H SER 6 H SER 6 -4.904 14.406 -24.762
23 HA SER 6 HA SER 6 -2.850 13.602 -23.084
24 HB2 SER 6 1HB SER 6 -2.360 15.989 -22.783
25 HB3 SER 6 2HB SER 6 -2.762 15.641 -24.465
26 HG SER 6 HG SER 6 -4.108 17.243 -24.165
27 H GLY 7 H GLY 7 -2.498 13.605 -20.909
28 HA2 GLY 7 1HA GLY 7 -3.528 14.874 -18.831
29 HA3 GLY 7 2HA GLY 7 -4.882 13.830 -19.235
30 H HIS 8 H HIS 8 -1.558 13.918 -18.120
31 HA HIS 8 HA HIS 8 -1.974 11.587 -16.507
32 HB2 HIS 8 1HB HIS 8 -1.386 10.768 -18.899
33 HB3 HIS 8 2HB HIS 8 0.243 11.316 -18.518
34 HD2 HIS 8 HD2 HIS 8 1.052 10.065 -15.844
35 HE1 HIS 8 HE1 HIS 8 -0.902 6.481 -16.998
36 HE2 HIS 8 HE2 HIS 8 0.692 7.548 -15.366
37 H GLY 9 H GLY 9 -0.307 11.257 -14.969
38 HA2 GLY 9 1HA GLY 9 2.079 11.947 -14.434
39 HA3 GLY 9 2HA GLY 9 1.498 13.580 -14.727
40 H GLU 10 H GLU 10 0.419 10.740 -12.851
41 HA GLU 10 HA GLU 10 -0.777 12.323 -10.820
42 HB2 GLU 10 1HB GLU 10 0.049 9.415 -10.819
43 HB3 GLU 10 2HB GLU 10 -0.921 10.177 -9.567
44 HG2 GLU 10 1HG GLU 10 -2.730 10.523 -11.039
45 HG3 GLU 10 2HG GLU 10 -1.748 10.139 -12.451
46 H ARG 11 H ARG 11 0.018 13.116 -8.960
47 HA ARG 11 HA ARG 11 2.841 12.541 -8.344
48 HB2 ARG 11 1HB ARG 11 2.472 14.857 -9.061
49 HB3 ARG 11 2HB ARG 11 1.257 15.059 -7.805
50 HG2 ARG 11 1HG ARG 11 3.163 14.436 -6.180
51 HG3 ARG 11 2HG ARG 11 4.224 14.819 -7.537
52 HD2 ARG 11 1HD ARG 11 2.089 16.733 -6.673
53 HD3 ARG 11 2HD ARG 11 3.637 16.674 -5.832
54 HE ARG 11 HE ARG 11 4.232 16.876 -8.518
55 HH11 ARG 11 1HH1 ARG 11 2.520 18.758 -6.141
56 HH12 ARG 11 2HH1 ARG 11 2.871 20.276 -6.899
57 HH21 ARG 11 1HH2 ARG 11 4.701 18.869 -9.525
58 HH22 ARG 11 2HH2 ARG 11 4.111 20.337 -8.825
59 H GLY 12 H GLY 12 3.459 12.337 -6.161
60 HA2 GLY 12 1HA GLY 12 3.188 11.877 -3.915
61 HA3 GLY 12 2HA GLY 12 1.543 12.485 -4.036
62 H HIS 13 H HIS 13 0.673 10.825 -2.796
63 HA HIS 13 HA HIS 13 0.187 8.373 -4.265
64 HB2 HIS 13 1HB HIS 13 1.401 8.294 -1.494
65 HB3 HIS 13 2HB HIS 13 0.854 6.901 -2.423
66 HD2 HIS 13 HD2 HIS 13 3.861 9.383 -2.301
67 HE1 HIS 13 HE1 HIS 13 4.765 6.301 -5.072
68 HE2 HIS 13 HE2 HIS 13 5.670 8.254 -3.765
69 H ARG 14 H ARG 14 -1.949 8.214 -4.224
70 HA ARG 14 HA ARG 14 -3.424 9.202 -1.895
71 HB2 ARG 14 1HB ARG 14 -4.138 10.064 -4.057
72 HB3 ARG 14 2HB ARG 14 -4.368 8.428 -4.660
73 HG2 ARG 14 1HG ARG 14 -6.000 8.282 -2.584
74 HG3 ARG 14 2HG ARG 14 -6.052 10.030 -2.821
75 HD2 ARG 14 1HD ARG 14 -6.512 8.056 -5.046
76 HD3 ARG 14 2HD ARG 14 -7.815 8.682 -4.036
77 HE ARG 14 HE ARG 14 -6.185 10.721 -5.248
78 HH11 ARG 14 1HH1 ARG 14 -8.953 8.645 -5.633
79 HH12 ARG 14 2HH1 ARG 14 -9.719 9.665 -6.804
80 HH21 ARG 14 1HH2 ARG 14 -7.184 12.074 -6.790
81 HH22 ARG 14 2HH2 ARG 14 -8.712 11.615 -7.462
82 H CYS 15 H CYS 15 -4.817 7.935 -0.712
83 HA CYS 15 HA CYS 15 -4.320 5.078 -0.844
84 HB2 CYS 15 1HB CYS 15 -4.222 6.085 1.343
85 HB3 CYS 15 2HB CYS 15 -5.821 6.793 1.141
86 H SER 16 H SER 16 -6.032 3.507 -0.816
87 HA SER 16 HA SER 16 -8.371 4.403 -2.357
88 HB2 SER 16 1HB SER 16 -6.862 1.806 -2.259
89 HB3 SER 16 2HB SER 16 -8.526 1.851 -2.841
90 HG SER 16 HG SER 16 -6.931 2.110 -4.510
91 H ASP 17 H ASP 17 -7.344 2.762 0.533
92 HA ASP 17 HA ASP 17 -9.755 1.525 1.260
93 HB2 ASP 17 1HB ASP 17 -7.294 2.386 2.694
94 HB3 ASP 17 2HB ASP 17 -8.718 2.041 3.671
95 H CYS 18 H CYS 18 -8.449 4.703 2.200
96 HA CYS 18 HA CYS 18 -11.141 5.460 3.111
97 HB2 CYS 18 1HB CYS 18 -9.955 7.319 4.306
98 HB3 CYS 18 2HB CYS 18 -9.517 5.707 4.862
99 H GLY 19 H GLY 19 -8.355 6.660 1.259
100 HA2 GLY 19 1HA GLY 19 -8.753 7.675 -0.910
101 HA3 GLY 19 2HA GLY 19 -10.235 8.356 -0.255
102 H LYS 20 H LYS 20 -6.948 8.311 1.087
103 HA LYS 20 HA LYS 20 -7.113 11.225 1.369
104 HB2 LYS 20 1HB LYS 20 -5.711 9.056 2.840
105 HB3 LYS 20 2HB LYS 20 -4.906 10.618 2.760
106 HG2 LYS 20 1HG LYS 20 -6.860 11.689 3.744
107 HG3 LYS 20 2HG LYS 20 -7.690 10.132 3.802
108 HD2 LYS 20 1HD LYS 20 -6.873 10.205 5.934
109 HD3 LYS 20 2HD LYS 20 -5.508 9.430 5.127
110 HE2 LYS 20 1HE LYS 20 -4.577 11.778 4.805
111 HE3 LYS 20 2HE LYS 20 -5.803 12.305 5.957
112 HZ1 LYS 20 3HZ LYS 20 -3.332 10.918 6.423
113 HZ2 LYS 20 1HZ LYS 20 -4.648 10.193 7.200
114 HZ3 LYS 20 2HZ LYS 20 -4.284 11.818 7.493
115 H PHE 21 H PHE 21 -4.635 12.102 1.440
116 HA PHE 21 HA PHE 21 -3.253 11.126 -0.955
117 HB2 PHE 21 1HB PHE 21 -4.732 13.067 -1.547
118 HB3 PHE 21 2HB PHE 21 -3.789 14.056 -0.437
119 HD1 PHE 21 HD1 PHE 21 -3.630 12.087 -3.556
120 HD2 PHE 21 HD2 PHE 21 -1.711 14.964 -1.075
121 HE1 PHE 21 HE1 PHE 21 -2.024 12.563 -5.357
122 HE2 PHE 21 HE2 PHE 21 -0.102 15.446 -2.873
123 HZ PHE 21 HZ PHE 21 -0.257 14.245 -5.018
124 H PHE 22 H PHE 22 -1.021 11.627 -1.050
125 HA PHE 22 HA PHE 22 0.196 12.918 1.255
126 HB2 PHE 22 1HB PHE 22 0.905 10.077 0.495
127 HB3 PHE 22 2HB PHE 22 1.648 11.032 1.774
128 HD1 PHE 22 HD2 PHE 22 -1.736 9.877 0.707
129 HD2 PHE 22 HD1 PHE 22 0.939 10.667 3.922
130 HE1 PHE 22 HE2 PHE 22 -3.408 9.030 2.302
131 HE2 PHE 22 HE1 PHE 22 -0.727 9.820 5.522
132 HZ PHE 22 HZ PHE 22 -2.905 9.001 4.713
133 H LEU 23 H LEU 23 2.642 12.989 0.979
134 HA LEU 23 HA LEU 23 3.300 13.268 -1.880
135 HB2 LEU 23 1HB LEU 23 4.022 15.008 0.460
136 HB3 LEU 23 2HB LEU 23 4.905 15.067 -1.064
137 HG LEU 23 HG LEU 23 3.234 16.869 -0.835
138 HD11 LEU 23 1HD1 LEU 23 2.631 14.870 -3.010
139 HD12 LEU 23 2HD1 LEU 23 3.911 16.082 -3.044
140 HD13 LEU 23 3HD1 LEU 23 2.221 16.586 -3.034
141 HD21 LEU 23 3HD2 LEU 23 1.637 15.184 0.399
142 HD22 LEU 23 1HD2 LEU 23 1.043 14.893 -1.236
143 HD23 LEU 23 2HD2 LEU 23 0.988 16.519 -0.555
144 H GLN 24 H GLN 24 4.490 12.483 1.343
145 HA GLN 24 HA GLN 24 6.994 11.479 0.219
146 HB2 GLN 24 1HB GLN 24 6.186 11.529 3.125
147 HB3 GLN 24 2HB GLN 24 7.806 11.357 2.463
148 HG2 GLN 24 1HG GLN 24 7.229 13.717 1.415
149 HG3 GLN 24 2HG GLN 24 6.137 13.782 2.798
150 HE21 GLN 24 1HE2 GLN 24 7.060 15.059 4.240
151 HE22 GLN 24 2HE2 GLN 24 8.691 14.943 4.797
152 H ALA 25 H ALA 25 6.970 9.468 -0.525
153 HA ALA 25 HA ALA 25 5.161 7.517 -0.396
154 HB1 ALA 25 3HB ALA 25 8.126 7.051 -0.099
155 HB2 ALA 25 1HB ALA 25 6.943 5.859 -0.636
156 HB3 ALA 25 2HB ALA 25 7.259 7.292 -1.616
157 H SER 26 H SER 26 7.800 7.676 2.006
158 HA SER 26 HA SER 26 7.070 5.677 3.693
159 HB2 SER 26 1HB SER 26 8.069 7.045 5.545
160 HB3 SER 26 2HB SER 26 9.078 6.951 4.101
161 HG SER 26 HG SER 26 9.076 9.053 4.338
162 H ASN 27 H ASN 27 5.989 9.057 4.083
163 HA ASN 27 HA ASN 27 4.207 8.659 6.160
164 HB2 ASN 27 1HB ASN 27 3.976 10.627 3.872
165 HB3 ASN 27 2HB ASN 27 3.094 10.729 5.393
166 HD21 ASN 27 1HD2 ASN 27 3.991 12.728 5.873
167 HD22 ASN 27 2HD2 ASN 27 5.634 12.900 6.380
168 H PHE 28 H PHE 28 3.834 7.995 2.755
169 HA PHE 28 HA PHE 28 0.990 7.594 2.890
170 HB2 PHE 28 1HB PHE 28 1.812 8.282 0.776
171 HB3 PHE 28 2HB PHE 28 3.070 7.050 0.778
172 HD1 PHE 28 HD2 PHE 28 -0.475 7.733 0.213
173 HD2 PHE 28 HD1 PHE 28 2.574 4.762 0.189
174 HE1 PHE 28 HE2 PHE 28 -1.954 6.229 -1.054
175 HE2 PHE 28 HE1 PHE 28 1.100 3.254 -1.078
176 HZ PHE 28 HZ PHE 28 -1.168 3.986 -1.700
177 H ILE 29 H ILE 29 3.855 5.621 3.183
178 HA ILE 29 HA ILE 29 2.522 3.107 2.933
179 HB ILE 29 HB ILE 29 5.195 3.741 4.189
180 HG12 ILE 29 1HG1 ILE 29 4.546 2.718 1.417
181 HG13 ILE 29 2HG1 ILE 29 4.986 4.380 1.793
182 HG21 ILE 29 1HG2 ILE 29 3.764 1.192 3.607
183 HG22 ILE 29 2HG2 ILE 29 5.521 1.245 3.469
184 HG23 ILE 29 3HG2 ILE 29 4.745 1.641 5.002
185 HD11 ILE 29 3HD1 ILE 29 6.692 2.303 1.111
186 HD12 ILE 29 1HD1 ILE 29 7.142 3.890 1.735
187 HD13 ILE 29 2HD1 ILE 29 6.930 2.534 2.843
188 H GLN 30 H GLN 30 3.761 4.965 5.705
189 HA GLN 30 HA GLN 30 2.887 3.153 7.681
190 HB2 GLN 30 1HB GLN 30 3.171 6.118 8.112
191 HB3 GLN 30 2HB GLN 30 3.446 4.817 9.263
192 HG2 GLN 30 1HG GLN 30 5.328 4.105 7.640
193 HG3 GLN 30 2HG GLN 30 5.177 5.746 7.014
194 HE21 GLN 30 1HE2 GLN 30 6.162 3.769 9.673
195 HE22 GLN 30 2HE2 GLN 30 6.951 5.011 10.578
196 H HIS 31 H HIS 31 1.087 4.965 5.591
197 HA HIS 31 HA HIS 31 -1.097 5.460 7.474
198 HB2 HIS 31 1HB HIS 31 -0.889 7.343 6.141
199 HB3 HIS 31 2HB HIS 31 -0.452 6.411 4.712
200 HD1 HIS 31 HD1 HIS 31 -3.449 7.447 6.742
201 HD2 HIS 31 HD2 HIS 31 -2.563 5.673 3.091
202 HE1 HIS 31 HE1 HIS 31 -5.628 7.360 5.490
203 H ARG 32 H ARG 32 -0.281 3.551 4.635
204 HA ARG 32 HA ARG 32 -2.867 2.471 4.210
205 HB2 ARG 32 1HB ARG 32 -0.159 1.365 3.443
206 HB3 ARG 32 2HB ARG 32 -1.702 0.792 2.824
207 HG2 ARG 32 1HG ARG 32 -0.924 3.662 2.517
208 HG3 ARG 32 2HG ARG 32 -0.299 2.436 1.412
209 HD2 ARG 32 1HD ARG 32 -3.217 2.951 1.977
210 HD3 ARG 32 2HD ARG 32 -2.337 3.532 0.563
211 HE ARG 32 HE ARG 32 -2.309 1.365 -0.291
212 HH11 ARG 32 1HH1 ARG 32 -3.760 1.466 2.872
213 HH12 ARG 32 2HH1 ARG 32 -4.453 -0.117 2.747
214 HH21 ARG 32 1HH2 ARG 32 -3.217 -0.720 -0.468
215 HH22 ARG 32 2HH2 ARG 32 -4.143 -1.360 0.848
216 H ARG 33 H ARG 33 -0.602 1.961 6.648
217 HA ARG 33 HA ARG 33 -1.100 -0.808 7.155
218 HB2 ARG 33 1HB ARG 33 -0.242 0.765 9.461
219 HB3 ARG 33 2HB ARG 33 0.535 -0.607 8.682
220 HG2 ARG 33 1HG ARG 33 1.100 1.195 6.844
221 HG3 ARG 33 2HG ARG 33 0.885 2.302 8.201
222 HD2 ARG 33 1HD ARG 33 2.555 -0.110 8.644
223 HD3 ARG 33 2HD ARG 33 3.226 1.170 7.635
224 HE ARG 33 HE ARG 33 3.393 2.523 9.493
225 HH11 ARG 33 1HH1 ARG 33 1.550 -0.331 10.256
226 HH12 ARG 33 2HH1 ARG 33 1.565 -0.043 11.964
227 HH21 ARG 33 1HH2 ARG 33 3.420 2.913 11.741
228 HH22 ARG 33 2HH2 ARG 33 2.628 1.803 12.808
229 H ILE 34 H ILE 34 -2.298 2.232 8.533
230 HA ILE 34 HA ILE 34 -3.775 1.429 10.651
231 HB ILE 34 HB ILE 34 -5.108 3.319 10.426
232 HG12 ILE 34 1HG1 ILE 34 -4.713 3.190 7.428
233 HG13 ILE 34 2HG1 ILE 34 -6.153 2.652 8.284
234 HG21 ILE 34 1HG2 ILE 34 -3.493 4.854 10.314
235 HG22 ILE 34 2HG2 ILE 34 -2.421 3.524 9.876
236 HG23 ILE 34 3HG2 ILE 34 -3.165 4.507 8.616
237 HD11 ILE 34 3HD1 ILE 34 -5.110 5.473 8.267
238 HD12 ILE 34 1HD1 ILE 34 -6.418 4.863 7.254
239 HD13 ILE 34 2HD1 ILE 34 -6.606 4.907 9.007
240 H HIS 35 H HIS 35 -4.580 0.940 7.262
241 HA HIS 35 HA HIS 35 -7.191 -0.130 7.816
242 HB2 HIS 35 1HB HIS 35 -5.612 -0.425 5.260
243 HB3 HIS 35 2HB HIS 35 -7.360 -0.515 5.462
244 HD1 HIS 35 HD1 HIS 35 -8.402 1.891 6.427
245 HD2 HIS 35 HD2 HIS 35 -4.795 1.985 4.367
246 HE1 HIS 35 HE1 HIS 35 -8.121 4.273 5.673
247 H THR 36 H THR 36 -3.966 -1.390 7.386
248 HA THR 36 HA THR 36 -4.606 -4.084 6.898
249 HB THR 36 HB THR 36 -2.346 -4.615 7.476
250 HG1 THR 36 HG1 THR 36 -1.957 -3.608 9.382
251 HG21 THR 36 3HG2 THR 36 -2.721 -1.972 6.111
252 HG22 THR 36 1HG2 THR 36 -2.313 -3.538 5.410
253 HG23 THR 36 2HG2 THR 36 -1.107 -2.646 6.338
254 H GLY 37 H GLY 37 -5.818 -5.328 8.169
255 HA2 GLY 37 1HA GLY 37 -5.056 -5.890 10.854
256 HA3 GLY 37 2HA GLY 37 -6.490 -4.875 10.815
257 H GLU 38 H GLU 38 -7.844 -6.436 11.682
258 HA GLU 38 HA GLU 38 -8.074 -9.016 10.380
259 HB2 GLU 38 1HB GLU 38 -8.296 -8.559 12.905
260 HB3 GLU 38 2HB GLU 38 -9.904 -7.960 12.522
261 HG2 GLU 38 1HG GLU 38 -10.193 -10.248 11.335
262 HG3 GLU 38 2HG GLU 38 -8.827 -10.736 12.336
263 H LYS 39 H LYS 39 -8.620 -7.016 8.586
264 HA LYS 39 HA LYS 39 -11.426 -6.471 8.414
265 HB2 LYS 39 1HB LYS 39 -9.057 -6.024 6.639
266 HB3 LYS 39 2HB LYS 39 -10.676 -5.859 5.971
267 HG2 LYS 39 1HG LYS 39 -11.121 -4.268 7.922
268 HG3 LYS 39 2HG LYS 39 -9.369 -4.250 8.134
269 HD2 LYS 39 1HD LYS 39 -9.119 -3.516 5.795
270 HD3 LYS 39 2HD LYS 39 -10.876 -3.485 5.633
271 HE2 LYS 39 1HE LYS 39 -9.589 -1.946 7.839
272 HE3 LYS 39 2HE LYS 39 -9.534 -1.301 6.200
273 HZ1 LYS 39 3HZ LYS 39 -11.473 -0.617 7.672
274 HZ2 LYS 39 1HZ LYS 39 -12.076 -2.179 7.424
275 HZ3 LYS 39 2HZ LYS 39 -11.842 -1.143 6.107
276 HA PRO 40 HA PRO 40 -12.896 -10.051 6.342
277 HB2 PRO 40 1HB PRO 40 -14.769 -8.988 4.690
278 HB3 PRO 40 2HB PRO 40 -14.989 -9.109 6.440
279 HG2 PRO 40 1HG PRO 40 -14.149 -6.754 4.794
280 HG3 PRO 40 2HG PRO 40 -15.290 -6.821 6.150
281 HD2 PRO 40 1HD PRO 40 -12.740 -5.956 6.433
282 HD3 PRO 40 2HD PRO 40 -13.610 -6.804 7.728
283 H SER 41 H SER 41 -12.972 -11.165 4.316
284 HA SER 41 HA SER 41 -10.986 -10.177 2.434
285 HB2 SER 41 1HB SER 41 -11.137 -12.463 1.461
286 HB3 SER 41 2HB SER 41 -10.751 -12.478 3.182
287 HG SER 41 HG SER 41 -12.888 -13.011 3.621
288 H GLY 42 H GLY 42 -11.659 -8.915 0.831
289 HA2 GLY 42 1HA GLY 42 -13.142 -7.911 -0.655
290 HA3 GLY 42 2HA GLY 42 -13.140 -9.544 -1.305
291 HA PRO 43 HA PRO 43 -17.029 -9.252 1.560
292 HB2 PRO 43 1HB PRO 43 -17.654 -6.787 2.510
293 HB3 PRO 43 2HB PRO 43 -16.609 -7.916 3.381
294 HG2 PRO 43 1HG PRO 43 -15.859 -5.583 1.662
295 HG3 PRO 43 2HG PRO 43 -15.184 -6.085 3.223
296 HD2 PRO 43 1HD PRO 43 -13.962 -6.623 0.867
297 HD3 PRO 43 2HD PRO 43 -13.854 -7.707 2.269
298 H SER 44 H SER 44 -19.236 -8.457 1.162
299 HA SER 44 HA SER 44 -20.832 -8.122 -0.461
300 HB2 SER 44 1HB SER 44 -20.969 -5.709 -1.124
301 HB3 SER 44 2HB SER 44 -20.783 -5.958 0.612
302 HG SER 44 HG SER 44 -19.189 -4.615 -1.086
303 H SER 45 H SER 45 -18.672 -9.483 -1.561
304 HA SER 45 HA SER 45 -18.640 -8.377 -4.290
305 HB2 SER 45 1HB SER 45 -16.349 -9.831 -2.945
306 HB3 SER 45 2HB SER 45 -16.359 -9.205 -4.594
307 HG SER 45 HG SER 45 -15.939 -7.285 -3.849
308 H GLY 46 H GLY 46 -17.922 -10.172 -5.892
309 HA2 GLY 46 1HA GLY 46 -18.174 -12.869 -5.462
310 HA3 GLY 46 2HA GLY 46 -19.827 -12.298 -5.637
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -9.309 -3.281 -9.405
2 HA2 GLY 1 1HA GLY 1 -9.828 -0.527 -10.129
3 HA3 GLY 1 2HA GLY 1 -8.195 -0.828 -9.554
4 H SER 2 H SER 2 -9.093 0.039 -12.194
5 HA SER 2 HA SER 2 -8.460 -2.272 -13.873
6 HB2 SER 2 1HB SER 2 -9.385 0.507 -14.642
7 HB3 SER 2 2HB SER 2 -9.155 -0.841 -15.756
8 HG SER 2 HG SER 2 -10.838 -1.167 -13.536
9 H SER 3 H SER 3 -7.082 -1.657 -15.875
10 HA SER 3 HA SER 3 -4.778 -0.047 -14.992
11 HB2 SER 3 1HB SER 3 -3.291 -1.664 -16.098
12 HB3 SER 3 2HB SER 3 -4.246 -2.444 -14.837
13 HG SER 3 HG SER 3 -5.667 -3.162 -16.508
14 H GLY 4 H GLY 4 -3.669 1.115 -16.577
15 HA2 GLY 4 1HA GLY 4 -4.580 0.983 -19.335
16 HA3 GLY 4 2HA GLY 4 -4.963 2.471 -18.483
17 H SER 5 H SER 5 -3.299 2.203 -20.804
18 HA SER 5 HA SER 5 -0.562 2.465 -19.917
19 HB2 SER 5 1HB SER 5 -0.047 2.823 -22.285
20 HB3 SER 5 2HB SER 5 -1.090 1.415 -22.088
21 HG SER 5 HG SER 5 -1.609 3.104 -23.774
22 H SER 6 H SER 6 -2.001 4.315 -18.573
23 HA SER 6 HA SER 6 -1.665 6.864 -19.973
24 HB2 SER 6 1HB SER 6 -3.001 7.843 -18.212
25 HB3 SER 6 2HB SER 6 -3.808 6.379 -18.773
26 HG SER 6 HG SER 6 -2.949 5.294 -16.965
27 H GLY 7 H GLY 7 -0.313 8.484 -19.257
28 HA2 GLY 7 1HA GLY 7 1.865 7.591 -17.532
29 HA3 GLY 7 2HA GLY 7 1.862 9.026 -18.548
30 H HIS 8 H HIS 8 1.736 7.937 -15.421
31 HA HIS 8 HA HIS 8 0.159 10.177 -14.411
32 HB2 HIS 8 1HB HIS 8 1.299 7.689 -13.178
33 HB3 HIS 8 2HB HIS 8 0.810 9.038 -12.157
34 HD2 HIS 8 HD2 HIS 8 -2.045 9.800 -12.821
35 HE1 HIS 8 HE1 HIS 8 -2.973 5.717 -13.503
36 HE2 HIS 8 HE2 HIS 8 -3.903 8.033 -13.164
37 H GLY 9 H GLY 9 3.440 8.834 -14.090
38 HA2 GLY 9 1HA GLY 9 5.444 9.975 -13.858
39 HA3 GLY 9 2HA GLY 9 4.549 11.487 -13.890
40 H GLU 10 H GLU 10 6.120 12.060 -12.187
41 HA GLU 10 HA GLU 10 5.853 10.780 -9.620
42 HB2 GLU 10 1HB GLU 10 7.400 12.524 -8.837
43 HB3 GLU 10 2HB GLU 10 8.001 11.718 -10.280
44 HG2 GLU 10 1HG GLU 10 7.028 13.648 -11.595
45 HG3 GLU 10 2HG GLU 10 6.813 14.464 -10.048
46 H ARG 11 H ARG 11 4.016 11.051 -8.527
47 HA ARG 11 HA ARG 11 3.143 13.768 -7.934
48 HB2 ARG 11 1HB ARG 11 1.516 11.720 -9.383
49 HB3 ARG 11 2HB ARG 11 0.711 12.818 -8.270
50 HG2 ARG 11 1HG ARG 11 2.458 13.727 -10.544
51 HG3 ARG 11 2HG ARG 11 0.706 13.546 -10.654
52 HD2 ARG 11 1HD ARG 11 0.630 15.088 -8.597
53 HD3 ARG 11 2HD ARG 11 2.301 15.475 -9.003
54 HE ARG 11 HE ARG 11 0.464 15.753 -11.202
55 HH11 ARG 11 1HH1 ARG 11 1.917 17.318 -8.452
56 HH12 ARG 11 2HH1 ARG 11 1.669 18.918 -9.066
57 HH21 ARG 11 1HH2 ARG 11 0.132 17.856 -12.022
58 HH22 ARG 11 2HH2 ARG 11 0.653 19.223 -11.097
59 H GLY 12 H GLY 12 1.137 13.553 -6.343
60 HA2 GLY 12 1HA GLY 12 2.103 12.396 -3.987
61 HA3 GLY 12 2HA GLY 12 0.451 12.939 -4.241
62 H HIS 13 H HIS 13 -0.093 11.119 -2.839
63 HA HIS 13 HA HIS 13 -0.646 8.753 -4.434
64 HB2 HIS 13 1HB HIS 13 0.824 8.577 -1.795
65 HB3 HIS 13 2HB HIS 13 0.220 7.209 -2.725
66 HD2 HIS 13 HD2 HIS 13 2.926 10.052 -3.219
67 HE1 HIS 13 HE1 HIS 13 4.029 6.625 -5.463
68 HE2 HIS 13 HE2 HIS 13 4.736 8.909 -4.671
69 H ARG 14 H ARG 14 -2.780 8.603 -4.250
70 HA ARG 14 HA ARG 14 -4.105 9.416 -1.788
71 HB2 ARG 14 1HB ARG 14 -5.059 10.195 -3.884
72 HB3 ARG 14 2HB ARG 14 -5.208 8.541 -4.462
73 HG2 ARG 14 1HG ARG 14 -6.763 8.117 -2.535
74 HG3 ARG 14 2HG ARG 14 -6.737 9.855 -2.234
75 HD2 ARG 14 1HD ARG 14 -7.594 8.522 -4.801
76 HD3 ARG 14 2HD ARG 14 -8.675 9.189 -3.579
77 HE ARG 14 HE ARG 14 -8.107 11.337 -4.268
78 HH11 ARG 14 1HH1 ARG 14 -6.256 8.931 -5.973
79 HH12 ARG 14 2HH1 ARG 14 -5.699 10.033 -7.189
80 HH21 ARG 14 1HH2 ARG 14 -7.380 12.797 -5.863
81 HH22 ARG 14 2HH2 ARG 14 -6.338 12.232 -7.125
82 H CYS 15 H CYS 15 -5.276 8.076 -0.465
83 HA CYS 15 HA CYS 15 -4.589 5.264 -0.594
84 HB2 CYS 15 1HB CYS 15 -4.425 6.279 1.569
85 HB3 CYS 15 2HB CYS 15 -6.056 6.931 1.453
86 H SER 16 H SER 16 -6.177 3.568 -0.401
87 HA SER 16 HA SER 16 -8.655 4.231 -1.836
88 HB2 SER 16 1HB SER 16 -7.051 2.578 -2.868
89 HB3 SER 16 2HB SER 16 -7.402 1.497 -1.519
90 HG SER 16 HG SER 16 -8.695 1.185 -3.471
91 H ASP 17 H ASP 17 -7.364 2.705 1.031
92 HA ASP 17 HA ASP 17 -9.639 1.380 1.953
93 HB2 ASP 17 1HB ASP 17 -7.182 2.484 3.217
94 HB3 ASP 17 2HB ASP 17 -8.526 2.078 4.281
95 H CYS 18 H CYS 18 -8.486 4.621 2.904
96 HA CYS 18 HA CYS 18 -11.207 5.247 3.812
97 HB2 CYS 18 1HB CYS 18 -10.098 7.197 4.946
98 HB3 CYS 18 2HB CYS 18 -9.572 5.620 5.524
99 H GLY 19 H GLY 19 -8.564 6.511 1.814
100 HA2 GLY 19 1HA GLY 19 -9.131 7.465 -0.351
101 HA3 GLY 19 2HA GLY 19 -10.567 8.149 0.395
102 H LYS 20 H LYS 20 -7.403 8.188 1.899
103 HA LYS 20 HA LYS 20 -7.514 11.078 2.052
104 HB2 LYS 20 1HB LYS 20 -5.918 8.922 3.331
105 HB3 LYS 20 2HB LYS 20 -5.163 10.506 3.204
106 HG2 LYS 20 1HG LYS 20 -7.146 11.479 4.340
107 HG3 LYS 20 2HG LYS 20 -7.758 9.840 4.576
108 HD2 LYS 20 1HD LYS 20 -6.179 9.331 6.150
109 HD3 LYS 20 2HD LYS 20 -4.983 10.432 5.463
110 HE2 LYS 20 1HE LYS 20 -5.527 11.596 7.348
111 HE3 LYS 20 2HE LYS 20 -6.738 12.249 6.246
112 HZ1 LYS 20 3HZ LYS 20 -7.131 10.109 8.263
113 HZ2 LYS 20 1HZ LYS 20 -8.289 10.541 7.108
114 HZ3 LYS 20 2HZ LYS 20 -7.803 11.662 8.277
115 H PHE 21 H PHE 21 -5.087 12.047 1.888
116 HA PHE 21 HA PHE 21 -3.905 11.150 -0.642
117 HB2 PHE 21 1HB PHE 21 -5.499 13.035 -1.072
118 HB3 PHE 21 2HB PHE 21 -4.509 14.048 -0.026
119 HD1 PHE 21 HD1 PHE 21 -4.597 12.212 -3.214
120 HD2 PHE 21 HD2 PHE 21 -2.466 14.986 -0.789
121 HE1 PHE 21 HE1 PHE 21 -3.171 12.789 -5.134
122 HE2 PHE 21 HE2 PHE 21 -1.038 15.569 -2.706
123 HZ PHE 21 HZ PHE 21 -1.390 14.471 -4.882
124 H PHE 22 H PHE 22 -1.714 11.750 -0.948
125 HA PHE 22 HA PHE 22 -0.331 13.038 1.265
126 HB2 PHE 22 1HB PHE 22 0.386 10.245 0.348
127 HB3 PHE 22 2HB PHE 22 1.267 11.199 1.537
128 HD1 PHE 22 HD2 PHE 22 -2.193 9.953 0.904
129 HD2 PHE 22 HD1 PHE 22 0.857 10.786 3.754
130 HE1 PHE 22 HE2 PHE 22 -3.613 9.029 2.689
131 HE2 PHE 22 HE1 PHE 22 -0.558 9.863 5.543
132 HZ PHE 22 HZ PHE 22 -2.796 8.984 5.012
133 H LEU 23 H LEU 23 2.194 12.862 0.691
134 HA LEU 23 HA LEU 23 2.494 13.411 -2.184
135 HB2 LEU 23 1HB LEU 23 3.473 15.043 0.142
136 HB3 LEU 23 2HB LEU 23 4.162 15.190 -1.473
137 HG LEU 23 HG LEU 23 2.547 16.964 -1.009
138 HD11 LEU 23 1HD1 LEU 23 1.012 15.431 -2.971
139 HD12 LEU 23 2HD1 LEU 23 2.747 15.472 -3.280
140 HD13 LEU 23 3HD1 LEU 23 1.843 16.978 -3.132
141 HD21 LEU 23 3HD2 LEU 23 0.510 16.637 -0.138
142 HD22 LEU 23 1HD2 LEU 23 1.130 15.054 0.333
143 HD23 LEU 23 2HD2 LEU 23 0.195 15.228 -1.153
144 H GLN 24 H GLN 24 3.984 12.412 0.838
145 HA GLN 24 HA GLN 24 6.354 11.482 -0.614
146 HB2 GLN 24 1HB GLN 24 5.879 11.586 2.369
147 HB3 GLN 24 2HB GLN 24 7.401 11.230 1.564
148 HG2 GLN 24 1HG GLN 24 5.971 13.838 1.185
149 HG3 GLN 24 2HG GLN 24 7.098 13.564 2.513
150 HE21 GLN 24 1HE2 GLN 24 9.132 12.252 1.500
151 HE22 GLN 24 2HE2 GLN 24 9.882 13.113 0.204
152 H ALA 25 H ALA 25 6.230 9.483 -1.381
153 HA ALA 25 HA ALA 25 4.437 7.536 -1.041
154 HB1 ALA 25 3HB ALA 25 7.266 7.557 -1.740
155 HB2 ALA 25 1HB ALA 25 6.724 6.017 -1.072
156 HB3 ALA 25 2HB ALA 25 5.919 6.698 -2.486
157 H SER 26 H SER 26 7.418 7.559 0.927
158 HA SER 26 HA SER 26 6.931 5.555 2.667
159 HB2 SER 26 1HB SER 26 8.179 6.876 4.390
160 HB3 SER 26 2HB SER 26 8.967 6.850 2.813
161 HG SER 26 HG SER 26 8.616 8.959 4.068
162 H ASN 27 H ASN 27 5.869 8.911 3.257
163 HA ASN 27 HA ASN 27 4.399 8.433 5.563
164 HB2 ASN 27 1HB ASN 27 3.812 10.477 3.409
165 HB3 ASN 27 2HB ASN 27 3.228 10.531 5.070
166 HD21 ASN 27 1HD2 ASN 27 4.230 12.153 6.022
167 HD22 ASN 27 2HD2 ASN 27 5.932 12.449 5.993
168 H PHE 28 H PHE 28 3.502 8.042 2.189
169 HA PHE 28 HA PHE 28 0.728 7.595 2.682
170 HB2 PHE 28 1HB PHE 28 1.280 8.318 0.498
171 HB3 PHE 28 2HB PHE 28 2.525 7.086 0.318
172 HD1 PHE 28 HD2 PHE 28 -1.074 7.759 0.260
173 HD2 PHE 28 HD1 PHE 28 1.967 4.837 -0.309
174 HE1 PHE 28 HE2 PHE 28 -2.703 6.285 -0.848
175 HE2 PHE 28 HE1 PHE 28 0.344 3.358 -1.420
176 HZ PHE 28 HZ PHE 28 -1.995 4.081 -1.689
177 H ILE 29 H ILE 29 3.575 5.585 2.605
178 HA ILE 29 HA ILE 29 2.193 3.090 2.446
179 HB ILE 29 HB ILE 29 4.989 3.657 3.437
180 HG12 ILE 29 1HG1 ILE 29 4.028 2.782 0.704
181 HG13 ILE 29 2HG1 ILE 29 4.587 4.401 1.111
182 HG21 ILE 29 1HG2 ILE 29 5.439 1.350 3.213
183 HG22 ILE 29 2HG2 ILE 29 3.921 1.463 4.102
184 HG23 ILE 29 3HG2 ILE 29 3.910 1.055 2.387
185 HD11 ILE 29 3HD1 ILE 29 6.718 3.822 0.886
186 HD12 ILE 29 1HD1 ILE 29 6.506 2.344 1.824
187 HD13 ILE 29 2HD1 ILE 29 6.118 2.361 0.103
188 H GLN 30 H GLN 30 3.771 4.845 5.112
189 HA GLN 30 HA GLN 30 3.073 3.003 7.126
190 HB2 GLN 30 1HB GLN 30 3.460 5.949 7.600
191 HB3 GLN 30 2HB GLN 30 3.837 4.611 8.678
192 HG2 GLN 30 1HG GLN 30 5.504 3.923 6.808
193 HG3 GLN 30 2HG GLN 30 5.332 5.601 6.295
194 HE21 GLN 30 1HE2 GLN 30 7.769 4.804 7.010
195 HE22 GLN 30 2HE2 GLN 30 8.214 5.450 8.549
196 H HIS 31 H HIS 31 1.093 4.896 5.288
197 HA HIS 31 HA HIS 31 -0.862 5.383 7.410
198 HB2 HIS 31 1HB HIS 31 -0.759 7.294 6.102
199 HB3 HIS 31 2HB HIS 31 -0.508 6.388 4.613
200 HD1 HIS 31 HD1 HIS 31 -3.236 7.407 7.004
201 HD2 HIS 31 HD2 HIS 31 -2.800 5.760 3.215
202 HE1 HIS 31 HE1 HIS 31 -5.543 7.402 6.004
203 H ARG 32 H ARG 32 -0.397 3.528 4.458
204 HA ARG 32 HA ARG 32 -3.038 2.502 4.303
205 HB2 ARG 32 1HB ARG 32 -0.471 1.341 3.203
206 HB3 ARG 32 2HB ARG 32 -2.098 0.878 2.724
207 HG2 ARG 32 1HG ARG 32 -1.360 3.738 2.485
208 HG3 ARG 32 2HG ARG 32 -0.651 2.602 1.335
209 HD2 ARG 32 1HD ARG 32 -3.602 2.878 1.895
210 HD3 ARG 32 2HD ARG 32 -2.762 3.624 0.535
211 HE ARG 32 HE ARG 32 -2.133 1.058 0.189
212 HH11 ARG 32 1HH1 ARG 32 -5.182 2.582 0.896
213 HH12 ARG 32 2HH1 ARG 32 -6.122 1.380 0.075
214 HH21 ARG 32 1HH2 ARG 32 -3.359 -0.531 -0.896
215 HH22 ARG 32 2HH2 ARG 32 -5.084 -0.390 -0.943
216 H ARG 33 H ARG 33 -0.588 1.942 6.505
217 HA ARG 33 HA ARG 33 -1.067 -0.853 6.976
218 HB2 ARG 33 1HB ARG 33 0.130 0.616 9.192
219 HB3 ARG 33 2HB ARG 33 0.765 -0.739 8.268
220 HG2 ARG 33 1HG ARG 33 1.109 1.149 6.442
221 HG3 ARG 33 2HG ARG 33 1.148 2.172 7.880
222 HD2 ARG 33 1HD ARG 33 2.762 -0.320 7.906
223 HD3 ARG 33 2HD ARG 33 3.329 1.013 6.900
224 HE ARG 33 HE ARG 33 2.733 2.062 9.404
225 HH11 ARG 33 1HH1 ARG 33 4.959 -0.217 7.999
226 HH12 ARG 33 2HH1 ARG 33 6.200 0.073 9.172
227 HH21 ARG 33 1HH2 ARG 33 4.361 2.454 10.954
228 HH22 ARG 33 2HH2 ARG 33 5.859 1.592 10.852
229 H ILE 34 H ILE 34 -1.958 2.182 8.583
230 HA ILE 34 HA ILE 34 -3.172 1.404 10.852
231 HB ILE 34 HB ILE 34 -4.503 3.309 10.801
232 HG12 ILE 34 1HG1 ILE 34 -4.512 3.169 7.778
233 HG13 ILE 34 2HG1 ILE 34 -5.832 2.654 8.822
234 HG21 ILE 34 1HG2 ILE 34 -2.923 4.851 10.439
235 HG22 ILE 34 2HG2 ILE 34 -1.913 3.493 9.946
236 HG23 ILE 34 3HG2 ILE 34 -2.777 4.435 8.731
237 HD11 ILE 34 3HD1 ILE 34 -4.764 5.461 8.757
238 HD12 ILE 34 1HD1 ILE 34 -6.116 4.899 7.774
239 HD13 ILE 34 2HD1 ILE 34 -6.237 4.883 9.534
240 H HIS 35 H HIS 35 -4.497 1.006 7.605
241 HA HIS 35 HA HIS 35 -6.994 -0.068 8.519
242 HB2 HIS 35 1HB HIS 35 -5.839 -0.412 5.756
243 HB3 HIS 35 2HB HIS 35 -7.535 -0.368 6.231
244 HD1 HIS 35 HD1 HIS 35 -8.397 2.053 7.083
245 HD2 HIS 35 HD2 HIS 35 -4.821 1.987 4.968
246 HE1 HIS 35 HE1 HIS 35 -8.015 4.423 6.334
247 H THR 36 H THR 36 -3.907 -1.376 7.489
248 HA THR 36 HA THR 36 -4.665 -4.055 7.144
249 HB THR 36 HB THR 36 -2.346 -4.625 7.299
250 HG1 THR 36 HG1 THR 36 -0.842 -3.266 8.250
251 HG21 THR 36 3HG2 THR 36 -1.340 -2.532 6.017
252 HG22 THR 36 1HG2 THR 36 -3.038 -2.061 5.958
253 HG23 THR 36 2HG2 THR 36 -2.525 -3.598 5.261
254 H GLY 37 H GLY 37 -3.430 -2.346 10.009
255 HA2 GLY 37 1HA GLY 37 -3.029 -4.208 11.866
256 HA3 GLY 37 2HA GLY 37 -3.979 -2.776 12.236
257 H GLU 38 H GLU 38 -3.971 -6.061 12.376
258 HA GLU 38 HA GLU 38 -6.262 -7.162 11.591
259 HB2 GLU 38 1HB GLU 38 -5.093 -7.309 14.371
260 HB3 GLU 38 2HB GLU 38 -6.383 -8.362 13.808
261 HG2 GLU 38 1HG GLU 38 -3.673 -8.154 12.519
262 HG3 GLU 38 2HG GLU 38 -4.132 -9.381 13.699
263 H LYS 39 H LYS 39 -8.431 -7.207 12.119
264 HA LYS 39 HA LYS 39 -9.400 -5.252 14.077
265 HB2 LYS 39 1HB LYS 39 -9.391 -4.452 11.579
266 HB3 LYS 39 2HB LYS 39 -10.803 -5.491 11.441
267 HG2 LYS 39 1HG LYS 39 -11.869 -4.235 13.276
268 HG3 LYS 39 2HG LYS 39 -10.473 -3.157 13.314
269 HD2 LYS 39 1HD LYS 39 -10.910 -2.563 10.955
270 HD3 LYS 39 2HD LYS 39 -12.350 -3.584 10.989
271 HE2 LYS 39 1HE LYS 39 -11.997 -1.415 13.017
272 HE3 LYS 39 2HE LYS 39 -12.567 -1.022 11.396
273 HZ1 LYS 39 3HZ LYS 39 -14.041 -2.034 13.539
274 HZ2 LYS 39 1HZ LYS 39 -14.012 -3.230 12.343
275 HZ3 LYS 39 2HZ LYS 39 -14.582 -1.680 11.976
276 HA PRO 40 HA PRO 40 -11.942 -8.672 15.242
277 HB2 PRO 40 1HB PRO 40 -13.661 -7.318 16.849
278 HB3 PRO 40 2HB PRO 40 -12.005 -7.707 17.327
279 HG2 PRO 40 1HG PRO 40 -13.112 -5.143 16.251
280 HG3 PRO 40 2HG PRO 40 -11.967 -5.396 17.580
281 HD2 PRO 40 1HD PRO 40 -11.178 -4.648 15.100
282 HD3 PRO 40 2HD PRO 40 -10.177 -5.668 16.153
283 H SER 41 H SER 41 -12.984 -5.967 13.439
284 HA SER 41 HA SER 41 -14.946 -5.450 12.344
285 HB2 SER 41 1HB SER 41 -15.411 -7.014 10.623
286 HB3 SER 41 2HB SER 41 -13.700 -7.226 10.991
287 HG SER 41 HG SER 41 -14.147 -9.217 11.436
288 H GLY 42 H GLY 42 -15.734 -5.601 14.843
289 HA2 GLY 42 1HA GLY 42 -17.950 -5.660 15.715
290 HA3 GLY 42 2HA GLY 42 -18.298 -7.019 14.657
291 HA PRO 43 HA PRO 43 -15.665 -8.891 18.240
292 HB2 PRO 43 1HB PRO 43 -14.947 -7.224 20.259
293 HB3 PRO 43 2HB PRO 43 -13.950 -7.477 18.822
294 HG2 PRO 43 1HG PRO 43 -15.835 -5.237 19.451
295 HG3 PRO 43 2HG PRO 43 -14.216 -5.168 18.731
296 HD2 PRO 43 1HD PRO 43 -16.476 -4.997 17.250
297 HD3 PRO 43 2HD PRO 43 -14.986 -5.739 16.635
298 H SER 44 H SER 44 -18.370 -6.952 18.396
299 HA SER 44 HA SER 44 -19.281 -8.284 20.862
300 HB2 SER 44 1HB SER 44 -20.639 -6.306 21.379
301 HB3 SER 44 2HB SER 44 -18.932 -5.878 21.267
302 HG SER 44 HG SER 44 -20.934 -4.816 19.940
303 H SER 45 H SER 45 -21.554 -8.748 20.968
304 HA SER 45 HA SER 45 -22.928 -8.757 18.369
305 HB2 SER 45 1HB SER 45 -21.794 -11.008 19.186
306 HB3 SER 45 2HB SER 45 -23.250 -11.117 20.175
307 HG SER 45 HG SER 45 -23.120 -11.948 17.806
308 H GLY 46 H GLY 46 -24.955 -8.028 18.465
309 HA2 GLY 46 1HA GLY 46 -26.050 -7.071 20.903
310 HA3 GLY 46 2HA GLY 46 -26.874 -7.125 19.351
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -21.708 15.185 -23.724
2 HA2 GLY 1 1HA GLY 1 -20.441 15.978 -25.949
3 HA3 GLY 1 2HA GLY 1 -19.962 17.233 -24.816
4 H SER 2 H SER 2 -17.794 16.363 -25.370
5 HA SER 2 HA SER 2 -17.101 14.211 -23.494
6 HB2 SER 2 1HB SER 2 -15.524 13.258 -25.103
7 HB3 SER 2 2HB SER 2 -17.152 13.266 -25.781
8 HG SER 2 HG SER 2 -14.904 14.715 -26.524
9 H SER 3 H SER 3 -15.681 14.924 -22.064
10 HA SER 3 HA SER 3 -13.423 16.534 -22.880
11 HB2 SER 3 1HB SER 3 -15.511 18.038 -22.270
12 HB3 SER 3 2HB SER 3 -15.005 17.685 -20.618
13 HG SER 3 HG SER 3 -12.808 18.327 -21.722
14 H GLY 4 H GLY 4 -11.825 16.778 -21.166
15 HA2 GLY 4 1HA GLY 4 -12.066 14.606 -19.180
16 HA3 GLY 4 2HA GLY 4 -10.552 15.122 -19.908
17 H SER 5 H SER 5 -11.455 14.929 -17.067
18 HA SER 5 HA SER 5 -10.893 17.720 -16.303
19 HB2 SER 5 1HB SER 5 -13.203 17.038 -15.714
20 HB3 SER 5 2HB SER 5 -12.548 15.714 -14.750
21 HG SER 5 HG SER 5 -13.042 18.074 -13.882
22 H SER 6 H SER 6 -10.592 14.326 -15.299
23 HA SER 6 HA SER 6 -8.187 15.073 -13.768
24 HB2 SER 6 1HB SER 6 -8.565 13.053 -12.427
25 HB3 SER 6 2HB SER 6 -9.985 14.098 -12.391
26 HG SER 6 HG SER 6 -11.096 12.567 -13.296
27 H GLY 7 H GLY 7 -6.919 14.985 -15.717
28 HA2 GLY 7 1HA GLY 7 -6.725 12.582 -17.252
29 HA3 GLY 7 2HA GLY 7 -5.628 13.953 -17.323
30 H HIS 8 H HIS 8 -4.730 11.331 -17.506
31 HA HIS 8 HA HIS 8 -3.870 10.260 -15.033
32 HB2 HIS 8 1HB HIS 8 -2.731 9.889 -17.811
33 HB3 HIS 8 2HB HIS 8 -2.313 8.908 -16.410
34 HD2 HIS 8 HD2 HIS 8 -3.560 7.156 -18.672
35 HE1 HIS 8 HE1 HIS 8 -7.304 7.599 -16.726
36 HE2 HIS 8 HE2 HIS 8 -5.951 6.224 -18.346
37 H GLY 9 H GLY 9 -2.706 11.500 -13.680
38 HA2 GLY 9 1HA GLY 9 -0.011 11.954 -13.992
39 HA3 GLY 9 2HA GLY 9 -0.785 13.419 -14.579
40 H GLU 10 H GLU 10 0.095 11.561 -11.819
41 HA GLU 10 HA GLU 10 -0.890 13.729 -10.090
42 HB2 GLU 10 1HB GLU 10 -1.444 12.120 -8.355
43 HB3 GLU 10 2HB GLU 10 -2.328 11.747 -9.828
44 HG2 GLU 10 1HG GLU 10 -0.578 10.038 -10.344
45 HG3 GLU 10 2HG GLU 10 0.089 10.332 -8.739
46 H ARG 11 H ARG 11 0.356 14.138 -8.204
47 HA ARG 11 HA ARG 11 3.083 13.026 -8.309
48 HB2 ARG 11 1HB ARG 11 3.184 15.306 -9.051
49 HB3 ARG 11 2HB ARG 11 2.189 15.845 -7.705
50 HG2 ARG 11 1HG ARG 11 4.079 14.972 -6.211
51 HG3 ARG 11 2HG ARG 11 5.047 14.954 -7.686
52 HD2 ARG 11 1HD ARG 11 3.512 17.417 -7.045
53 HD3 ARG 11 2HD ARG 11 4.954 17.068 -6.093
54 HE ARG 11 HE ARG 11 5.781 16.777 -8.666
55 HH11 ARG 11 1HH1 ARG 11 4.195 19.318 -6.892
56 HH12 ARG 11 2HH1 ARG 11 4.885 20.591 -7.843
57 HH21 ARG 11 1HH2 ARG 11 6.696 18.445 -9.926
58 HH22 ARG 11 2HH2 ARG 11 6.306 20.093 -9.569
59 H GLY 12 H GLY 12 2.500 11.431 -6.762
60 HA2 GLY 12 1HA GLY 12 3.228 11.748 -4.201
61 HA3 GLY 12 2HA GLY 12 1.559 12.295 -4.155
62 H HIS 13 H HIS 13 0.630 10.690 -2.993
63 HA HIS 13 HA HIS 13 0.285 8.144 -4.320
64 HB2 HIS 13 1HB HIS 13 1.500 8.276 -1.552
65 HB3 HIS 13 2HB HIS 13 0.970 6.807 -2.365
66 HD2 HIS 13 HD2 HIS 13 3.837 9.479 -2.702
67 HE1 HIS 13 HE1 HIS 13 4.930 5.981 -4.840
68 HE2 HIS 13 HE2 HIS 13 5.703 8.215 -3.972
69 H ARG 14 H ARG 14 -1.866 8.074 -4.352
70 HA ARG 14 HA ARG 14 -3.400 9.073 -2.083
71 HB2 ARG 14 1HB ARG 14 -4.146 9.774 -4.274
72 HB3 ARG 14 2HB ARG 14 -4.240 8.105 -4.819
73 HG2 ARG 14 1HG ARG 14 -5.924 7.893 -2.808
74 HG3 ARG 14 2HG ARG 14 -6.077 9.634 -3.056
75 HD2 ARG 14 1HD ARG 14 -6.287 7.727 -5.357
76 HD3 ARG 14 2HD ARG 14 -7.675 8.043 -4.318
77 HE ARG 14 HE ARG 14 -6.554 9.800 -6.289
78 HH11 ARG 14 1HH1 ARG 14 -8.389 9.629 -3.336
79 HH12 ARG 14 2HH1 ARG 14 -9.183 11.148 -3.588
80 HH21 ARG 14 1HH2 ARG 14 -7.593 11.802 -6.633
81 HH22 ARG 14 2HH2 ARG 14 -8.730 12.383 -5.464
82 H CYS 15 H CYS 15 -4.800 7.836 -0.860
83 HA CYS 15 HA CYS 15 -4.177 4.999 -0.775
84 HB2 CYS 15 1HB CYS 15 -4.214 6.367 1.303
85 HB3 CYS 15 2HB CYS 15 -5.938 6.632 1.064
86 H SER 16 H SER 16 -5.854 3.376 -0.619
87 HA SER 16 HA SER 16 -8.173 4.058 -2.293
88 HB2 SER 16 1HB SER 16 -6.707 2.348 -3.252
89 HB3 SER 16 2HB SER 16 -6.867 1.372 -1.792
90 HG SER 16 HG SER 16 -9.293 1.744 -2.452
91 H ASP 17 H ASP 17 -7.178 2.571 0.717
92 HA ASP 17 HA ASP 17 -9.587 1.400 1.498
93 HB2 ASP 17 1HB ASP 17 -7.235 2.504 2.995
94 HB3 ASP 17 2HB ASP 17 -8.664 1.978 3.881
95 H CYS 18 H CYS 18 -8.346 4.657 2.240
96 HA CYS 18 HA CYS 18 -11.067 5.437 3.034
97 HB2 CYS 18 1HB CYS 18 -9.938 7.397 4.111
98 HB3 CYS 18 2HB CYS 18 -9.471 5.840 4.786
99 H GLY 19 H GLY 19 -8.280 6.490 1.105
100 HA2 GLY 19 1HA GLY 19 -8.641 7.349 -1.124
101 HA3 GLY 19 2HA GLY 19 -10.154 8.043 -0.559
102 H LYS 20 H LYS 20 -6.989 8.198 1.009
103 HA LYS 20 HA LYS 20 -7.201 11.113 1.009
104 HB2 LYS 20 1HB LYS 20 -5.786 9.096 2.670
105 HB3 LYS 20 2HB LYS 20 -5.017 10.668 2.496
106 HG2 LYS 20 1HG LYS 20 -6.925 11.776 3.420
107 HG3 LYS 20 2HG LYS 20 -7.854 10.275 3.422
108 HD2 LYS 20 1HD LYS 20 -6.736 9.427 5.236
109 HD3 LYS 20 2HD LYS 20 -5.267 10.344 4.895
110 HE2 LYS 20 1HE LYS 20 -6.026 12.217 5.963
111 HE3 LYS 20 2HE LYS 20 -7.718 11.859 5.621
112 HZ1 LYS 20 3HZ LYS 20 -6.138 10.226 7.513
113 HZ2 LYS 20 1HZ LYS 20 -7.820 10.335 7.367
114 HZ3 LYS 20 2HZ LYS 20 -6.942 11.630 8.009
115 H PHE 21 H PHE 21 -4.713 12.025 1.115
116 HA PHE 21 HA PHE 21 -3.267 10.940 -1.195
117 HB2 PHE 21 1HB PHE 21 -4.749 12.827 -1.929
118 HB3 PHE 21 2HB PHE 21 -3.850 13.886 -0.848
119 HD1 PHE 21 HD1 PHE 21 -3.578 11.760 -3.853
120 HD2 PHE 21 HD2 PHE 21 -1.766 14.789 -1.474
121 HE1 PHE 21 HE1 PHE 21 -1.927 12.165 -5.632
122 HE2 PHE 21 HE2 PHE 21 -0.113 15.199 -3.249
123 HZ PHE 21 HZ PHE 21 -0.192 13.887 -5.332
124 H PHE 22 H PHE 22 -1.039 11.469 -1.268
125 HA PHE 22 HA PHE 22 0.098 12.862 1.026
126 HB2 PHE 22 1HB PHE 22 0.835 10.012 0.324
127 HB3 PHE 22 2HB PHE 22 1.640 11.008 1.533
128 HD1 PHE 22 HD2 PHE 22 -1.790 9.821 0.667
129 HD2 PHE 22 HD1 PHE 22 1.027 10.736 3.724
130 HE1 PHE 22 HE2 PHE 22 -3.387 9.041 2.367
131 HE2 PHE 22 HE1 PHE 22 -0.566 9.956 5.430
132 HZ PHE 22 HZ PHE 22 -2.777 9.108 4.752
133 H LEU 23 H LEU 23 2.641 12.732 0.774
134 HA LEU 23 HA LEU 23 3.294 13.113 -2.072
135 HB2 LEU 23 1HB LEU 23 3.973 14.848 0.282
136 HB3 LEU 23 2HB LEU 23 4.903 14.902 -1.213
137 HG LEU 23 HG LEU 23 3.255 16.714 -1.069
138 HD11 LEU 23 1HD1 LEU 23 2.208 14.932 -3.206
139 HD12 LEU 23 2HD1 LEU 23 3.917 15.367 -3.233
140 HD13 LEU 23 3HD1 LEU 23 2.686 16.629 -3.278
141 HD21 LEU 23 3HD2 LEU 23 1.611 14.854 0.070
142 HD22 LEU 23 1HD2 LEU 23 0.945 14.989 -1.557
143 HD23 LEU 23 2HD2 LEU 23 1.097 16.425 -0.546
144 H GLN 24 H GLN 24 4.449 12.302 1.156
145 HA GLN 24 HA GLN 24 6.951 11.280 0.032
146 HB2 GLN 24 1HB GLN 24 6.090 11.582 2.915
147 HB3 GLN 24 2HB GLN 24 7.679 11.058 2.371
148 HG2 GLN 24 1HG GLN 24 6.598 13.691 1.477
149 HG3 GLN 24 2HG GLN 24 7.292 13.521 3.089
150 HE21 GLN 24 1HE2 GLN 24 8.486 15.254 1.484
151 HE22 GLN 24 2HE2 GLN 24 9.989 14.641 0.890
152 H ALA 25 H ALA 25 6.935 9.246 -0.643
153 HA ALA 25 HA ALA 25 5.090 7.318 -0.446
154 HB1 ALA 25 3HB ALA 25 7.502 7.316 -1.491
155 HB2 ALA 25 1HB ALA 25 7.895 6.412 -0.028
156 HB3 ALA 25 2HB ALA 25 6.664 5.805 -1.136
157 H SER 26 H SER 26 7.838 7.382 1.834
158 HA SER 26 HA SER 26 7.120 5.459 3.586
159 HB2 SER 26 1HB SER 26 8.222 6.808 5.377
160 HB3 SER 26 2HB SER 26 9.163 6.724 3.888
161 HG SER 26 HG SER 26 8.357 8.883 5.160
162 H ASN 27 H ASN 27 6.052 8.851 3.869
163 HA ASN 27 HA ASN 27 4.354 8.519 6.047
164 HB2 ASN 27 1HB ASN 27 3.984 10.446 3.742
165 HB3 ASN 27 2HB ASN 27 3.301 10.607 5.358
166 HD21 ASN 27 1HD2 ASN 27 4.273 12.285 6.249
167 HD22 ASN 27 2HD2 ASN 27 5.980 12.542 6.320
168 H PHE 28 H PHE 28 3.819 7.912 2.635
169 HA PHE 28 HA PHE 28 0.994 7.528 2.870
170 HB2 PHE 28 1HB PHE 28 1.744 8.149 0.720
171 HB3 PHE 28 2HB PHE 28 3.009 6.924 0.716
172 HD1 PHE 28 HD2 PHE 28 -0.584 7.540 0.312
173 HD2 PHE 28 HD1 PHE 28 2.542 4.658 0.103
174 HE1 PHE 28 HE2 PHE 28 -2.086 6.001 -0.884
175 HE2 PHE 28 HE1 PHE 28 1.045 3.116 -1.094
176 HZ PHE 28 HZ PHE 28 -1.273 3.786 -1.588
177 H ILE 29 H ILE 29 3.821 5.494 3.116
178 HA ILE 29 HA ILE 29 2.436 3.005 2.945
179 HB ILE 29 HB ILE 29 5.125 3.566 4.202
180 HG12 ILE 29 1HG1 ILE 29 4.548 2.604 1.397
181 HG13 ILE 29 2HG1 ILE 29 4.861 4.290 1.795
182 HG21 ILE 29 1HG2 ILE 29 4.189 1.418 4.858
183 HG22 ILE 29 2HG2 ILE 29 3.911 1.008 3.166
184 HG23 ILE 29 3HG2 ILE 29 5.558 1.193 3.769
185 HD11 ILE 29 3HD1 ILE 29 6.802 2.132 2.521
186 HD12 ILE 29 1HD1 ILE 29 6.797 2.876 0.923
187 HD13 ILE 29 2HD1 ILE 29 7.079 3.865 2.355
188 H GLN 30 H GLN 30 3.759 4.879 5.668
189 HA GLN 30 HA GLN 30 2.859 3.119 7.683
190 HB2 GLN 30 1HB GLN 30 3.284 6.082 8.033
191 HB3 GLN 30 2HB GLN 30 3.464 4.813 9.238
192 HG2 GLN 30 1HG GLN 30 5.304 3.933 7.608
193 HG3 GLN 30 2HG GLN 30 5.290 5.594 7.020
194 HE21 GLN 30 1HE2 GLN 30 6.070 7.224 8.308
195 HE22 GLN 30 2HE2 GLN 30 6.938 6.934 9.773
196 H HIS 31 H HIS 31 1.084 4.942 5.590
197 HA HIS 31 HA HIS 31 -1.049 5.549 7.501
198 HB2 HIS 31 1HB HIS 31 -0.794 7.402 6.133
199 HB3 HIS 31 2HB HIS 31 -0.419 6.432 4.712
200 HD1 HIS 31 HD1 HIS 31 -3.336 7.613 6.778
201 HD2 HIS 31 HD2 HIS 31 -2.587 5.742 3.144
202 HE1 HIS 31 HE1 HIS 31 -5.541 7.584 5.569
203 H ARG 32 H ARG 32 -0.348 3.574 4.674
204 HA ARG 32 HA ARG 32 -2.976 2.574 4.315
205 HB2 ARG 32 1HB ARG 32 -0.324 1.366 3.508
206 HB3 ARG 32 2HB ARG 32 -1.899 0.847 2.923
207 HG2 ARG 32 1HG ARG 32 -1.182 3.703 2.582
208 HG3 ARG 32 2HG ARG 32 -0.363 2.518 1.563
209 HD2 ARG 32 1HD ARG 32 -3.354 2.633 1.867
210 HD3 ARG 32 2HD ARG 32 -2.482 3.526 0.622
211 HE ARG 32 HE ARG 32 -1.600 1.014 0.253
212 HH11 ARG 32 1HH1 ARG 32 -4.796 2.352 0.589
213 HH12 ARG 32 2HH1 ARG 32 -5.546 1.152 -0.411
214 HH21 ARG 32 1HH2 ARG 32 -2.575 -0.572 -1.066
215 HH22 ARG 32 2HH2 ARG 32 -4.281 -0.511 -1.351
216 H ARG 33 H ARG 33 -0.783 2.091 6.778
217 HA ARG 33 HA ARG 33 -1.352 -0.679 7.312
218 HB2 ARG 33 1HB ARG 33 -0.331 0.850 9.570
219 HB3 ARG 33 2HB ARG 33 0.364 -0.542 8.750
220 HG2 ARG 33 1HG ARG 33 0.901 1.281 6.905
221 HG3 ARG 33 2HG ARG 33 0.825 2.351 8.307
222 HD2 ARG 33 1HD ARG 33 2.393 -0.158 8.558
223 HD3 ARG 33 2HD ARG 33 3.069 1.137 7.571
224 HE ARG 33 HE ARG 33 2.349 2.378 9.881
225 HH11 ARG 33 1HH1 ARG 33 4.330 -0.379 9.112
226 HH12 ARG 33 2HH1 ARG 33 5.384 -0.165 10.471
227 HH21 ARG 33 1HH2 ARG 33 3.729 2.671 11.673
228 HH22 ARG 33 2HH2 ARG 33 5.040 1.570 11.928
229 H ILE 34 H ILE 34 -2.323 2.442 8.689
230 HA ILE 34 HA ILE 34 -3.756 1.787 10.871
231 HB ILE 34 HB ILE 34 -5.031 3.715 10.618
232 HG12 ILE 34 1HG1 ILE 34 -4.756 3.445 7.616
233 HG13 ILE 34 2HG1 ILE 34 -6.184 3.009 8.549
234 HG21 ILE 34 1HG2 ILE 34 -3.094 4.725 8.682
235 HG22 ILE 34 2HG2 ILE 34 -3.382 5.202 10.355
236 HG23 ILE 34 3HG2 ILE 34 -2.366 3.806 9.999
237 HD11 ILE 34 3HD1 ILE 34 -6.299 5.212 7.383
238 HD12 ILE 34 1HD1 ILE 34 -6.597 5.273 9.120
239 HD13 ILE 34 2HD1 ILE 34 -5.037 5.784 8.474
240 H HIS 35 H HIS 35 -4.768 1.255 7.535
241 HA HIS 35 HA HIS 35 -7.380 0.314 8.221
242 HB2 HIS 35 1HB HIS 35 -5.895 -0.238 5.652
243 HB3 HIS 35 2HB HIS 35 -7.638 -0.193 5.904
244 HD1 HIS 35 HD1 HIS 35 -8.600 2.278 6.529
245 HD2 HIS 35 HD2 HIS 35 -4.831 2.107 4.789
246 HE1 HIS 35 HE1 HIS 35 -8.152 4.597 5.665
247 H THR 36 H THR 36 -4.249 -1.167 7.666
248 HA THR 36 HA THR 36 -5.089 -3.842 7.451
249 HB THR 36 HB THR 36 -2.818 -4.476 7.885
250 HG1 THR 36 HG1 THR 36 -1.324 -2.869 8.685
251 HG21 THR 36 3HG2 THR 36 -3.358 -2.117 6.196
252 HG22 THR 36 1HG2 THR 36 -2.650 -3.676 5.774
253 HG23 THR 36 2HG2 THR 36 -1.659 -2.437 6.546
254 H GLY 37 H GLY 37 -3.958 -1.988 10.277
255 HA2 GLY 37 1HA GLY 37 -4.294 -4.102 12.132
256 HA3 GLY 37 2HA GLY 37 -4.153 -2.396 12.529
257 H GLU 38 H GLU 38 -6.135 -1.076 12.265
258 HA GLU 38 HA GLU 38 -8.544 -2.679 12.826
259 HB2 GLU 38 1HB GLU 38 -7.528 -1.385 14.776
260 HB3 GLU 38 2HB GLU 38 -8.021 0.075 13.931
261 HG2 GLU 38 1HG GLU 38 -10.362 -0.841 13.937
262 HG3 GLU 38 2HG GLU 38 -9.779 -2.101 15.024
263 H LYS 39 H LYS 39 -10.566 -1.779 12.164
264 HA LYS 39 HA LYS 39 -10.317 0.197 9.991
265 HB2 LYS 39 1HB LYS 39 -11.807 -2.388 10.141
266 HB3 LYS 39 2HB LYS 39 -12.492 -1.077 9.189
267 HG2 LYS 39 1HG LYS 39 -10.395 -0.957 7.899
268 HG3 LYS 39 2HG LYS 39 -9.782 -2.336 8.815
269 HD2 LYS 39 1HD LYS 39 -10.614 -3.298 6.859
270 HD3 LYS 39 2HD LYS 39 -11.914 -3.542 8.028
271 HE2 LYS 39 1HE LYS 39 -12.991 -1.470 7.150
272 HE3 LYS 39 2HE LYS 39 -11.751 -1.414 5.897
273 HZ1 LYS 39 3HZ LYS 39 -13.366 -3.849 6.257
274 HZ2 LYS 39 1HZ LYS 39 -12.582 -3.282 4.870
275 HZ3 LYS 39 2HZ LYS 39 -14.004 -2.537 5.401
276 HA PRO 40 HA PRO 40 -13.225 2.652 12.208
277 HB2 PRO 40 1HB PRO 40 -14.132 4.180 10.157
278 HB3 PRO 40 2HB PRO 40 -12.534 4.395 10.881
279 HG2 PRO 40 1HG PRO 40 -13.298 2.957 8.369
280 HG3 PRO 40 2HG PRO 40 -11.930 4.048 8.663
281 HD2 PRO 40 1HD PRO 40 -11.667 1.353 8.647
282 HD3 PRO 40 2HD PRO 40 -10.674 2.403 9.678
283 H SER 41 H SER 41 -15.554 3.357 12.067
284 HA SER 41 HA SER 41 -17.166 1.128 11.033
285 HB2 SER 41 1HB SER 41 -18.862 1.829 12.690
286 HB3 SER 41 2HB SER 41 -17.315 1.463 13.453
287 HG SER 41 HG SER 41 -16.918 3.793 13.324
288 H GLY 42 H GLY 42 -18.330 1.483 9.270
289 HA2 GLY 42 1HA GLY 42 -20.246 2.978 8.511
290 HA3 GLY 42 2HA GLY 42 -19.054 4.266 8.611
291 HA PRO 43 HA PRO 43 -17.665 3.517 4.527
292 HB2 PRO 43 1HB PRO 43 -14.957 3.570 4.715
293 HB3 PRO 43 2HB PRO 43 -15.961 5.016 4.883
294 HG2 PRO 43 1HG PRO 43 -14.728 3.308 7.011
295 HG3 PRO 43 2HG PRO 43 -14.821 5.076 6.909
296 HD2 PRO 43 1HD PRO 43 -16.498 3.616 8.454
297 HD3 PRO 43 2HD PRO 43 -16.994 5.132 7.675
298 H SER 44 H SER 44 -17.992 1.601 3.582
299 HA SER 44 HA SER 44 -17.961 -0.697 3.306
300 HB2 SER 44 1HB SER 44 -15.912 -1.388 2.280
301 HB3 SER 44 2HB SER 44 -16.124 0.319 1.893
302 HG SER 44 HG SER 44 -14.261 0.623 2.789
303 H SER 45 H SER 45 -18.307 -0.433 5.921
304 HA SER 45 HA SER 45 -16.285 -2.157 7.190
305 HB2 SER 45 1HB SER 45 -16.633 0.054 8.265
306 HB3 SER 45 2HB SER 45 -18.326 -0.363 8.528
307 HG SER 45 HG SER 45 -16.511 -0.802 10.213
308 H GLY 46 H GLY 46 -17.048 -3.810 8.665
309 HA2 GLY 46 1HA GLY 46 -18.761 -5.218 9.535
310 HA3 GLY 46 2HA GLY 46 -19.837 -4.637 8.273
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -12.164 14.101 -8.687
2 HA2 GLY 1 1HA GLY 1 -9.528 14.240 -9.762
3 HA3 GLY 1 2HA GLY 1 -10.647 13.544 -10.925
4 H SER 2 H SER 2 -9.306 16.375 -9.795
5 HA SER 2 HA SER 2 -10.938 17.973 -11.525
6 HB2 SER 2 1HB SER 2 -12.394 17.934 -9.553
7 HB3 SER 2 2HB SER 2 -11.060 18.494 -8.544
8 HG SER 2 HG SER 2 -12.614 20.124 -9.361
9 H SER 3 H SER 3 -10.184 20.235 -11.612
10 HA SER 3 HA SER 3 -7.488 20.477 -11.988
11 HB2 SER 3 1HB SER 3 -9.611 22.514 -11.385
12 HB3 SER 3 2HB SER 3 -7.929 23.013 -11.564
13 HG SER 3 HG SER 3 -9.007 21.343 -13.522
14 H GLY 4 H GLY 4 -5.862 20.188 -10.619
15 HA2 GLY 4 1HA GLY 4 -5.857 21.622 -8.084
16 HA3 GLY 4 2HA GLY 4 -5.774 19.870 -7.976
17 H SER 5 H SER 5 -4.174 19.448 -10.298
18 HA SER 5 HA SER 5 -1.619 20.559 -9.338
19 HB2 SER 5 1HB SER 5 -0.573 18.536 -9.738
20 HB3 SER 5 2HB SER 5 -2.183 17.978 -9.281
21 HG SER 5 HG SER 5 -1.476 16.966 -11.191
22 H SER 6 H SER 6 -0.293 21.578 -10.737
23 HA SER 6 HA SER 6 -1.171 22.798 -13.007
24 HB2 SER 6 1HB SER 6 1.622 21.952 -12.238
25 HB3 SER 6 2HB SER 6 1.295 22.926 -13.671
26 HG SER 6 HG SER 6 0.307 23.687 -11.143
27 H GLY 7 H GLY 7 0.588 19.710 -12.850
28 HA2 GLY 7 1HA GLY 7 -0.454 19.112 -15.548
29 HA3 GLY 7 2HA GLY 7 1.213 18.759 -15.115
30 H HIS 8 H HIS 8 1.481 16.651 -14.862
31 HA HIS 8 HA HIS 8 0.025 15.183 -12.911
32 HB2 HIS 8 1HB HIS 8 -0.787 13.438 -14.630
33 HB3 HIS 8 2HB HIS 8 -1.728 14.914 -14.444
34 HD2 HIS 8 HD2 HIS 8 0.226 13.000 -17.146
35 HE1 HIS 8 HE1 HIS 8 -1.022 16.682 -18.844
36 HE2 HIS 8 HE2 HIS 8 -0.092 14.388 -19.306
37 H GLY 9 H GLY 9 0.926 13.115 -12.502
38 HA2 GLY 9 1HA GLY 9 2.538 11.444 -13.667
39 HA3 GLY 9 2HA GLY 9 3.624 12.826 -13.632
40 H GLU 10 H GLU 10 2.465 10.136 -11.939
41 HA GLU 10 HA GLU 10 2.632 9.445 -9.747
42 HB2 GLU 10 1HB GLU 10 4.963 9.385 -8.993
43 HB3 GLU 10 2HB GLU 10 4.832 8.958 -10.693
44 HG2 GLU 10 1HG GLU 10 5.721 11.013 -11.391
45 HG3 GLU 10 2HG GLU 10 5.498 11.742 -9.802
46 H ARG 11 H ARG 11 1.286 11.776 -9.660
47 HA ARG 11 HA ARG 11 2.567 13.673 -7.909
48 HB2 ARG 11 1HB ARG 11 0.674 14.043 -9.699
49 HB3 ARG 11 2HB ARG 11 -0.389 13.618 -8.364
50 HG2 ARG 11 1HG ARG 11 1.690 15.759 -8.095
51 HG3 ARG 11 2HG ARG 11 0.092 16.089 -8.766
52 HD2 ARG 11 1HD ARG 11 0.330 14.660 -6.156
53 HD3 ARG 11 2HD ARG 11 0.551 16.408 -6.211
54 HE ARG 11 HE ARG 11 -1.914 14.958 -6.523
55 HH11 ARG 11 1HH1 ARG 11 -0.225 17.926 -7.201
56 HH12 ARG 11 2HH1 ARG 11 -1.673 18.864 -7.368
57 HH21 ARG 11 1HH2 ARG 11 -3.826 16.182 -6.740
58 HH22 ARG 11 2HH2 ARG 11 -3.720 17.871 -7.105
59 H GLY 12 H GLY 12 2.862 13.258 -5.823
60 HA2 GLY 12 1HA GLY 12 2.588 12.300 -3.740
61 HA3 GLY 12 2HA GLY 12 0.955 12.925 -3.917
62 H HIS 13 H HIS 13 0.556 11.022 -2.474
63 HA HIS 13 HA HIS 13 -0.108 8.702 -4.141
64 HB2 HIS 13 1HB HIS 13 1.176 8.548 -1.406
65 HB3 HIS 13 2HB HIS 13 0.580 7.172 -2.331
66 HD2 HIS 13 HD2 HIS 13 3.416 9.901 -2.737
67 HE1 HIS 13 HE1 HIS 13 4.524 6.369 -4.810
68 HE2 HIS 13 HE2 HIS 13 5.267 8.649 -4.040
69 H ARG 14 H ARG 14 -2.259 8.680 -4.126
70 HA ARG 14 HA ARG 14 -3.713 9.495 -1.732
71 HB2 ARG 14 1HB ARG 14 -4.470 10.434 -3.837
72 HB3 ARG 14 2HB ARG 14 -4.658 8.825 -4.523
73 HG2 ARG 14 1HG ARG 14 -6.295 8.504 -2.495
74 HG3 ARG 14 2HG ARG 14 -6.366 10.266 -2.564
75 HD2 ARG 14 1HD ARG 14 -8.148 9.328 -3.899
76 HD3 ARG 14 2HD ARG 14 -6.973 10.118 -4.949
77 HE ARG 14 HE ARG 14 -6.133 7.565 -4.965
78 HH11 ARG 14 1HH1 ARG 14 -9.260 9.010 -5.465
79 HH12 ARG 14 2HH1 ARG 14 -9.803 7.772 -6.549
80 HH21 ARG 14 1HH2 ARG 14 -6.836 5.929 -6.390
81 HH22 ARG 14 2HH2 ARG 14 -8.424 6.020 -7.074
82 H CYS 15 H CYS 15 -4.973 8.164 -0.514
83 HA CYS 15 HA CYS 15 -4.450 5.340 -0.704
84 HB2 CYS 15 1HB CYS 15 -4.631 6.677 1.454
85 HB3 CYS 15 2HB CYS 15 -6.371 6.697 1.187
86 H SER 16 H SER 16 -6.121 3.704 -0.735
87 HA SER 16 HA SER 16 -8.395 4.512 -2.418
88 HB2 SER 16 1HB SER 16 -6.895 1.903 -2.182
89 HB3 SER 16 2HB SER 16 -8.448 2.029 -3.007
90 HG SER 16 HG SER 16 -7.536 3.426 -4.479
91 H ASP 17 H ASP 17 -7.465 2.727 0.455
92 HA ASP 17 HA ASP 17 -9.939 1.536 1.037
93 HB2 ASP 17 1HB ASP 17 -7.560 1.249 2.128
94 HB3 ASP 17 2HB ASP 17 -8.146 2.486 3.237
95 H CYS 18 H CYS 18 -8.556 4.633 2.104
96 HA CYS 18 HA CYS 18 -11.216 5.409 3.091
97 HB2 CYS 18 1HB CYS 18 -9.984 7.191 4.340
98 HB3 CYS 18 2HB CYS 18 -9.544 5.554 4.815
99 H GLY 19 H GLY 19 -8.463 6.548 1.168
100 HA2 GLY 19 1HA GLY 19 -8.877 7.662 -0.937
101 HA3 GLY 19 2HA GLY 19 -10.323 8.363 -0.225
102 H LYS 20 H LYS 20 -7.381 8.245 1.608
103 HA LYS 20 HA LYS 20 -7.360 11.099 1.874
104 HB2 LYS 20 1HB LYS 20 -5.812 8.824 3.012
105 HB3 LYS 20 2HB LYS 20 -5.067 10.416 3.054
106 HG2 LYS 20 1HG LYS 20 -7.214 11.225 4.143
107 HG3 LYS 20 2HG LYS 20 -7.621 9.520 4.350
108 HD2 LYS 20 1HD LYS 20 -6.574 9.922 6.345
109 HD3 LYS 20 2HD LYS 20 -5.188 9.422 5.373
110 HE2 LYS 20 1HE LYS 20 -6.029 12.293 5.728
111 HE3 LYS 20 2HE LYS 20 -4.847 11.492 6.761
112 HZ1 LYS 20 3HZ LYS 20 -3.627 10.968 4.622
113 HZ2 LYS 20 1HZ LYS 20 -3.606 12.583 5.128
114 HZ3 LYS 20 2HZ LYS 20 -4.636 12.102 3.875
115 H PHE 21 H PHE 21 -4.854 11.963 1.880
116 HA PHE 21 HA PHE 21 -3.624 11.243 -0.676
117 HB2 PHE 21 1HB PHE 21 -5.182 13.157 -1.069
118 HB3 PHE 21 2HB PHE 21 -4.249 14.102 0.087
119 HD1 PHE 21 HD1 PHE 21 -4.133 12.428 -3.195
120 HD2 PHE 21 HD2 PHE 21 -2.209 15.127 -0.525
121 HE1 PHE 21 HE1 PHE 21 -2.613 13.124 -5.000
122 HE2 PHE 21 HE2 PHE 21 -0.686 15.828 -2.326
123 HZ PHE 21 HZ PHE 21 -0.888 14.827 -4.567
124 H PHE 22 H PHE 22 -1.419 11.848 -0.869
125 HA PHE 22 HA PHE 22 -0.108 13.001 1.458
126 HB2 PHE 22 1HB PHE 22 0.589 10.239 0.437
127 HB3 PHE 22 2HB PHE 22 1.472 11.126 1.675
128 HD1 PHE 22 HD2 PHE 22 -1.970 9.904 0.931
129 HD2 PHE 22 HD1 PHE 22 0.987 10.714 3.883
130 HE1 PHE 22 HE2 PHE 22 -3.435 8.943 2.657
131 HE2 PHE 22 HE1 PHE 22 -0.473 9.753 5.614
132 HZ PHE 22 HZ PHE 22 -2.688 8.867 5.003
133 H LEU 23 H LEU 23 2.398 12.954 1.003
134 HA LEU 23 HA LEU 23 2.822 13.602 -1.839
135 HB2 LEU 23 1HB LEU 23 3.745 15.086 0.607
136 HB3 LEU 23 2HB LEU 23 4.470 15.325 -0.981
137 HG LEU 23 HG LEU 23 2.839 17.072 -0.412
138 HD11 LEU 23 1HD1 LEU 23 1.601 15.482 -2.612
139 HD12 LEU 23 2HD1 LEU 23 3.254 16.073 -2.782
140 HD13 LEU 23 3HD1 LEU 23 1.933 17.212 -2.522
141 HD21 LEU 23 3HD2 LEU 23 0.713 16.684 0.240
142 HD22 LEU 23 1HD2 LEU 23 1.381 15.136 0.757
143 HD23 LEU 23 2HD2 LEU 23 0.542 15.261 -0.789
144 H GLN 24 H GLN 24 4.209 12.439 1.177
145 HA GLN 24 HA GLN 24 6.609 11.548 -0.252
146 HB2 GLN 24 1HB GLN 24 6.047 11.560 2.718
147 HB3 GLN 24 2HB GLN 24 7.582 11.172 1.953
148 HG2 GLN 24 1HG GLN 24 6.284 13.834 1.532
149 HG3 GLN 24 2HG GLN 24 7.256 13.508 2.966
150 HE21 GLN 24 1HE2 GLN 24 9.090 14.570 2.668
151 HE22 GLN 24 2HE2 GLN 24 10.097 14.468 1.267
152 H ALA 25 H ALA 25 6.593 9.557 -1.037
153 HA ALA 25 HA ALA 25 4.745 7.619 -0.866
154 HB1 ALA 25 3HB ALA 25 7.026 7.676 -2.114
155 HB2 ALA 25 1HB ALA 25 7.602 6.755 -0.724
156 HB3 ALA 25 2HB ALA 25 6.286 6.125 -1.717
157 H SER 26 H SER 26 7.623 7.593 1.251
158 HA SER 26 HA SER 26 7.028 5.519 2.894
159 HB2 SER 26 1HB SER 26 8.105 8.164 3.895
160 HB3 SER 26 2HB SER 26 8.370 6.573 4.609
161 HG SER 26 HG SER 26 10.103 6.650 3.401
162 H ASN 27 H ASN 27 6.049 8.884 3.569
163 HA ASN 27 HA ASN 27 4.488 8.399 5.800
164 HB2 ASN 27 1HB ASN 27 4.005 10.477 3.653
165 HB3 ASN 27 2HB ASN 27 3.353 10.518 5.288
166 HD21 ASN 27 1HD2 ASN 27 4.355 11.990 6.438
167 HD22 ASN 27 2HD2 ASN 27 6.053 12.311 6.432
168 H PHE 28 H PHE 28 3.700 8.023 2.403
169 HA PHE 28 HA PHE 28 0.901 7.627 2.804
170 HB2 PHE 28 1HB PHE 28 1.554 8.356 0.643
171 HB3 PHE 28 2HB PHE 28 2.759 7.080 0.494
172 HD1 PHE 28 HD2 PHE 28 -0.821 7.866 0.367
173 HD2 PHE 28 HD1 PHE 28 2.150 4.871 -0.195
174 HE1 PHE 28 HE2 PHE 28 -2.468 6.456 -0.797
175 HE2 PHE 28 HE1 PHE 28 0.509 3.456 -1.360
176 HZ PHE 28 HZ PHE 28 -1.804 4.247 -1.661
177 H ILE 29 H ILE 29 3.718 5.561 2.756
178 HA ILE 29 HA ILE 29 2.281 3.097 2.577
179 HB ILE 29 HB ILE 29 5.085 3.588 3.590
180 HG12 ILE 29 1HG1 ILE 29 4.114 2.798 0.834
181 HG13 ILE 29 2HG1 ILE 29 4.736 4.383 1.279
182 HG21 ILE 29 1HG2 ILE 29 4.184 1.437 4.300
183 HG22 ILE 29 2HG2 ILE 29 3.753 1.058 2.633
184 HG23 ILE 29 3HG2 ILE 29 5.448 1.221 3.089
185 HD11 ILE 29 3HD1 ILE 29 6.899 3.347 1.823
186 HD12 ILE 29 1HD1 ILE 29 6.264 1.793 1.285
187 HD13 ILE 29 2HD1 ILE 29 6.434 3.121 0.137
188 H GLN 30 H GLN 30 3.812 4.872 5.250
189 HA GLN 30 HA GLN 30 3.128 3.022 7.266
190 HB2 GLN 30 1HB GLN 30 3.487 5.980 7.705
191 HB3 GLN 30 2HB GLN 30 3.830 4.666 8.823
192 HG2 GLN 30 1HG GLN 30 5.547 3.934 7.017
193 HG3 GLN 30 2HG GLN 30 5.394 5.600 6.462
194 HE21 GLN 30 1HE2 GLN 30 6.888 3.514 8.636
195 HE22 GLN 30 2HE2 GLN 30 7.648 4.697 9.640
196 H HIS 31 H HIS 31 1.135 4.859 5.394
197 HA HIS 31 HA HIS 31 -0.846 5.337 7.494
198 HB2 HIS 31 1HB HIS 31 -0.731 7.240 6.162
199 HB3 HIS 31 2HB HIS 31 -0.501 6.314 4.682
200 HD1 HIS 31 HD1 HIS 31 -3.203 7.326 7.113
201 HD2 HIS 31 HD2 HIS 31 -2.805 5.710 3.306
202 HE1 HIS 31 HE1 HIS 31 -5.522 7.320 6.139
203 H ARG 32 H ARG 32 -0.358 3.511 4.519
204 HA ARG 32 HA ARG 32 -2.968 2.435 4.353
205 HB2 ARG 32 1HB ARG 32 -0.385 1.263 3.307
206 HB3 ARG 32 2HB ARG 32 -2.007 0.830 2.785
207 HG2 ARG 32 1HG ARG 32 -1.220 3.679 2.577
208 HG3 ARG 32 2HG ARG 32 -0.490 2.538 1.445
209 HD2 ARG 32 1HD ARG 32 -3.434 3.016 1.889
210 HD3 ARG 32 2HD ARG 32 -2.491 3.480 0.474
211 HE ARG 32 HE ARG 32 -3.612 0.913 1.024
212 HH11 ARG 32 1HH1 ARG 32 -0.968 2.549 -0.543
213 HH12 ARG 32 2HH1 ARG 32 -0.693 1.282 -1.692
214 HH21 ARG 32 1HH2 ARG 32 -3.260 -0.762 -0.484
215 HH22 ARG 32 2HH2 ARG 32 -1.998 -0.601 -1.658
216 H ARG 33 H ARG 33 -0.564 1.928 6.608
217 HA ARG 33 HA ARG 33 -1.011 -0.872 7.089
218 HB2 ARG 33 1HB ARG 33 0.128 0.630 9.314
219 HB3 ARG 33 2HB ARG 33 0.795 -0.725 8.414
220 HG2 ARG 33 1HG ARG 33 1.140 1.161 6.579
221 HG3 ARG 33 2HG ARG 33 1.160 2.185 8.017
222 HD2 ARG 33 1HD ARG 33 2.790 -0.299 8.045
223 HD3 ARG 33 2HD ARG 33 3.359 1.051 7.064
224 HE ARG 33 HE ARG 33 2.858 2.236 9.418
225 HH11 ARG 33 1HH1 ARG 33 4.615 -0.652 8.588
226 HH12 ARG 33 2HH1 ARG 33 5.719 -0.519 9.917
227 HH21 ARG 33 1HH2 ARG 33 4.305 2.422 11.172
228 HH22 ARG 33 2HH2 ARG 33 5.541 1.229 11.387
229 H ILE 34 H ILE 34 -1.943 2.160 8.685
230 HA ILE 34 HA ILE 34 -3.220 1.306 10.916
231 HB ILE 34 HB ILE 34 -4.441 3.273 10.947
232 HG12 ILE 34 1HG1 ILE 34 -4.469 3.247 7.921
233 HG13 ILE 34 2HG1 ILE 34 -5.811 2.781 8.960
234 HG21 ILE 34 1HG2 ILE 34 -2.807 4.774 10.637
235 HG22 ILE 34 2HG2 ILE 34 -1.848 3.392 10.109
236 HG23 ILE 34 3HG2 ILE 34 -2.664 4.406 8.919
237 HD11 ILE 34 3HD1 ILE 34 -4.575 5.522 8.878
238 HD12 ILE 34 1HD1 ILE 34 -6.040 5.043 8.022
239 HD13 ILE 34 2HD1 ILE 34 -6.005 5.031 9.785
240 H HIS 35 H HIS 35 -4.350 0.973 7.615
241 HA HIS 35 HA HIS 35 -6.997 0.156 8.262
242 HB2 HIS 35 1HB HIS 35 -5.365 -0.321 5.760
243 HB3 HIS 35 2HB HIS 35 -7.096 -0.606 5.909
244 HD1 HIS 35 HD1 HIS 35 -8.637 1.483 6.004
245 HD2 HIS 35 HD2 HIS 35 -4.611 2.344 5.443
246 HE1 HIS 35 HE1 HIS 35 -8.558 3.894 5.293
247 H THR 36 H THR 36 -3.959 -1.539 7.742
248 HA THR 36 HA THR 36 -4.641 -4.125 7.399
249 HB THR 36 HB THR 36 -2.677 -4.804 8.644
250 HG1 THR 36 HG1 THR 36 -2.352 -3.737 10.445
251 HG21 THR 36 3HG2 THR 36 -1.146 -2.738 7.779
252 HG22 THR 36 1HG2 THR 36 -2.614 -2.481 6.837
253 HG23 THR 36 2HG2 THR 36 -1.759 -4.021 6.736
254 H GLY 37 H GLY 37 -6.307 -5.189 8.270
255 HA2 GLY 37 1HA GLY 37 -6.357 -5.557 11.158
256 HA3 GLY 37 2HA GLY 37 -7.781 -4.802 10.457
257 H GLU 38 H GLU 38 -7.640 -7.320 11.858
258 HA GLU 38 HA GLU 38 -8.139 -9.554 11.636
259 HB2 GLU 38 1HB GLU 38 -10.067 -8.083 9.867
260 HB3 GLU 38 2HB GLU 38 -10.164 -9.831 10.032
261 HG2 GLU 38 1HG GLU 38 -10.161 -9.305 12.585
262 HG3 GLU 38 2HG GLU 38 -10.678 -7.706 12.055
263 H LYS 39 H LYS 39 -5.860 -9.101 10.225
264 HA LYS 39 HA LYS 39 -6.227 -10.845 7.884
265 HB2 LYS 39 1HB LYS 39 -4.433 -9.595 6.725
266 HB3 LYS 39 2HB LYS 39 -5.854 -8.607 7.036
267 HG2 LYS 39 1HG LYS 39 -4.220 -7.152 7.655
268 HG3 LYS 39 2HG LYS 39 -4.507 -7.951 9.202
269 HD2 LYS 39 1HD LYS 39 -2.653 -9.595 8.349
270 HD3 LYS 39 2HD LYS 39 -2.217 -8.238 7.308
271 HE2 LYS 39 1HE LYS 39 -0.893 -7.971 9.224
272 HE3 LYS 39 2HE LYS 39 -2.219 -6.828 9.433
273 HZ1 LYS 39 3HZ LYS 39 -1.817 -9.429 10.783
274 HZ2 LYS 39 1HZ LYS 39 -3.325 -8.661 10.760
275 HZ3 LYS 39 2HZ LYS 39 -1.998 -7.899 11.482
276 HA PRO 40 HA PRO 40 -3.082 -13.359 9.640
277 HB2 PRO 40 1HB PRO 40 -2.010 -14.452 7.399
278 HB3 PRO 40 2HB PRO 40 -3.599 -14.908 8.024
279 HG2 PRO 40 1HG PRO 40 -2.907 -13.019 5.807
280 HG3 PRO 40 2HG PRO 40 -4.184 -14.247 5.873
281 HD2 PRO 40 1HD PRO 40 -4.670 -11.616 6.288
282 HD3 PRO 40 2HD PRO 40 -5.593 -12.896 7.100
283 H SER 41 H SER 41 -1.080 -13.003 10.378
284 HA SER 41 HA SER 41 0.497 -10.875 9.231
285 HB2 SER 41 1HB SER 41 0.633 -12.525 11.723
286 HB3 SER 41 2HB SER 41 2.081 -11.674 11.187
287 HG SER 41 HG SER 41 0.297 -9.871 10.998
288 H GLY 42 H GLY 42 0.303 -12.885 7.387
289 HA2 GLY 42 1HA GLY 42 3.058 -13.948 7.369
290 HA3 GLY 42 2HA GLY 42 1.695 -14.936 6.865
291 HA PRO 43 HA PRO 43 2.027 -13.502 2.742
292 HB2 PRO 43 1HB PRO 43 -0.557 -13.150 1.988
293 HB3 PRO 43 2HB PRO 43 0.163 -14.746 2.236
294 HG2 PRO 43 1HG PRO 43 -1.568 -13.141 4.078
295 HG3 PRO 43 2HG PRO 43 -1.629 -14.875 3.712
296 HD2 PRO 43 1HD PRO 43 -0.478 -13.901 5.961
297 HD3 PRO 43 2HD PRO 43 0.105 -15.368 5.149
298 H SER 44 H SER 44 2.498 -11.624 1.772
299 HA SER 44 HA SER 44 1.006 -9.213 2.544
300 HB2 SER 44 1HB SER 44 3.175 -9.327 3.788
301 HB3 SER 44 2HB SER 44 4.016 -9.315 2.238
302 HG SER 44 HG SER 44 3.774 -7.220 3.265
303 H SER 45 H SER 45 0.529 -10.700 0.256
304 HA SER 45 HA SER 45 1.847 -10.217 -2.061
305 HB2 SER 45 1HB SER 45 -1.134 -10.158 -1.567
306 HB3 SER 45 2HB SER 45 -0.422 -10.149 -3.180
307 HG SER 45 HG SER 45 -0.943 -12.239 -1.697
308 H GLY 46 H GLY 46 -0.494 -7.992 -0.559
309 HA2 GLY 46 1HA GLY 46 0.959 -5.703 -1.501
310 HA3 GLY 46 2HA GLY 46 -0.534 -5.959 -2.390
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -19.105 10.942 -0.127
2 HA2 GLY 1 1HA GLY 1 -20.860 12.026 -2.171
3 HA3 GLY 1 2HA GLY 1 -19.895 13.213 -1.307
4 H SER 2 H SER 2 -19.871 10.620 -3.614
5 HA SER 2 HA SER 2 -16.984 10.853 -3.997
6 HB2 SER 2 1HB SER 2 -19.009 8.988 -5.258
7 HB3 SER 2 2HB SER 2 -17.272 8.947 -5.562
8 HG SER 2 HG SER 2 -17.115 7.776 -3.839
9 H SER 3 H SER 3 -16.711 12.827 -4.981
10 HA SER 3 HA SER 3 -18.061 13.210 -7.571
11 HB2 SER 3 1HB SER 3 -18.323 14.952 -5.694
12 HB3 SER 3 2HB SER 3 -16.644 15.379 -6.029
13 HG SER 3 HG SER 3 -17.271 16.381 -7.763
14 H GLY 4 H GLY 4 -16.766 14.296 -9.261
15 HA2 GLY 4 1HA GLY 4 -14.842 14.604 -10.506
16 HA3 GLY 4 2HA GLY 4 -13.901 14.253 -9.064
17 H SER 5 H SER 5 -13.853 13.326 -11.978
18 HA SER 5 HA SER 5 -13.662 10.452 -11.361
19 HB2 SER 5 1HB SER 5 -14.963 11.824 -13.670
20 HB3 SER 5 2HB SER 5 -14.140 10.293 -13.971
21 HG SER 5 HG SER 5 -15.883 10.456 -11.792
22 H SER 6 H SER 6 -12.688 12.836 -13.831
23 HA SER 6 HA SER 6 -10.409 11.429 -14.685
24 HB2 SER 6 1HB SER 6 -9.727 13.566 -15.729
25 HB3 SER 6 2HB SER 6 -11.422 13.194 -16.040
26 HG SER 6 HG SER 6 -10.474 14.935 -14.006
27 H GLY 7 H GLY 7 -8.141 12.378 -14.521
28 HA2 GLY 7 1HA GLY 7 -7.614 13.477 -11.844
29 HA3 GLY 7 2HA GLY 7 -6.816 11.989 -12.331
30 H HIS 8 H HIS 8 -5.755 14.687 -11.637
31 HA HIS 8 HA HIS 8 -4.658 15.688 -14.120
32 HB2 HIS 8 1HB HIS 8 -3.336 17.171 -12.460
33 HB3 HIS 8 2HB HIS 8 -5.076 17.412 -12.597
34 HD2 HIS 8 HD2 HIS 8 -5.371 18.305 -9.984
35 HE1 HIS 8 HE1 HIS 8 -4.083 14.714 -8.128
36 HE2 HIS 8 HE2 HIS 8 -5.215 16.939 -7.793
37 H GLY 9 H GLY 9 -3.056 14.618 -15.077
38 HA2 GLY 9 1HA GLY 9 -1.275 13.140 -15.303
39 HA3 GLY 9 2HA GLY 9 -0.507 14.364 -14.304
40 H GLU 10 H GLU 10 0.647 13.399 -12.776
41 HA GLU 10 HA GLU 10 -0.645 11.613 -10.918
42 HB2 GLU 10 1HB GLU 10 0.353 10.288 -12.978
43 HB3 GLU 10 2HB GLU 10 1.863 10.511 -12.105
44 HG2 GLU 10 1HG GLU 10 -0.612 9.107 -11.138
45 HG3 GLU 10 2HG GLU 10 0.953 8.389 -11.516
46 H ARG 11 H ARG 11 0.094 12.025 -8.940
47 HA ARG 11 HA ARG 11 2.842 12.546 -8.371
48 HB2 ARG 11 1HB ARG 11 2.348 14.744 -9.213
49 HB3 ARG 11 2HB ARG 11 0.879 14.837 -8.250
50 HG2 ARG 11 1HG ARG 11 2.262 16.097 -6.962
51 HG3 ARG 11 2HG ARG 11 2.580 14.509 -6.261
52 HD2 ARG 11 1HD ARG 11 4.701 15.453 -6.596
53 HD3 ARG 11 2HD ARG 11 4.487 14.333 -7.941
54 HE ARG 11 HE ARG 11 3.595 16.799 -8.821
55 HH11 ARG 11 1HH1 ARG 11 6.572 15.408 -7.671
56 HH12 ARG 11 2HH1 ARG 11 7.579 16.467 -8.602
57 HH21 ARG 11 1HH2 ARG 11 4.910 18.199 -10.052
58 HH22 ARG 11 2HH2 ARG 11 6.632 18.055 -9.955
59 H GLY 12 H GLY 12 3.307 12.250 -6.227
60 HA2 GLY 12 1HA GLY 12 2.959 11.811 -3.989
61 HA3 GLY 12 2HA GLY 12 1.333 12.455 -4.166
62 H HIS 13 H HIS 13 0.887 10.644 -2.647
63 HA HIS 13 HA HIS 13 0.219 8.236 -4.188
64 HB2 HIS 13 1HB HIS 13 1.325 8.183 -1.374
65 HB3 HIS 13 2HB HIS 13 0.885 6.790 -2.357
66 HD2 HIS 13 HD2 HIS 13 3.713 9.517 -2.222
67 HE1 HIS 13 HE1 HIS 13 5.017 6.275 -4.628
68 HE2 HIS 13 HE2 HIS 13 5.686 8.415 -3.481
69 H ARG 14 H ARG 14 -1.930 8.207 -4.229
70 HA ARG 14 HA ARG 14 -3.443 9.201 -1.938
71 HB2 ARG 14 1HB ARG 14 -4.099 10.016 -4.141
72 HB3 ARG 14 2HB ARG 14 -4.340 8.366 -4.701
73 HG2 ARG 14 1HG ARG 14 -6.028 8.263 -2.699
74 HG3 ARG 14 2HG ARG 14 -6.017 10.018 -2.883
75 HD2 ARG 14 1HD ARG 14 -6.671 7.992 -5.020
76 HD3 ARG 14 2HD ARG 14 -7.818 9.040 -4.185
77 HE ARG 14 HE ARG 14 -5.787 10.560 -5.456
78 HH11 ARG 14 1HH1 ARG 14 -8.690 8.747 -6.091
79 HH12 ARG 14 2HH1 ARG 14 -9.095 9.643 -7.517
80 HH21 ARG 14 1HH2 ARG 14 -6.309 11.748 -7.333
81 HH22 ARG 14 2HH2 ARG 14 -7.739 11.350 -8.223
82 H CYS 15 H CYS 15 -4.763 7.960 -0.688
83 HA CYS 15 HA CYS 15 -4.319 5.101 -0.779
84 HB2 CYS 15 1HB CYS 15 -4.265 6.314 1.369
85 HB3 CYS 15 2HB CYS 15 -5.954 6.761 1.152
86 H SER 16 H SER 16 -5.990 3.529 -0.833
87 HA SER 16 HA SER 16 -8.335 4.417 -2.367
88 HB2 SER 16 1HB SER 16 -7.007 1.706 -2.158
89 HB3 SER 16 2HB SER 16 -8.508 2.004 -3.036
90 HG SER 16 HG SER 16 -6.999 3.780 -4.012
91 H ASP 17 H ASP 17 -7.324 2.766 0.529
92 HA ASP 17 HA ASP 17 -9.744 1.540 1.240
93 HB2 ASP 17 1HB ASP 17 -7.386 2.522 2.828
94 HB3 ASP 17 2HB ASP 17 -8.796 1.836 3.631
95 H CYS 18 H CYS 18 -8.458 4.754 2.035
96 HA CYS 18 HA CYS 18 -11.136 5.506 3.004
97 HB2 CYS 18 1HB CYS 18 -9.932 7.387 4.163
98 HB3 CYS 18 2HB CYS 18 -9.521 5.780 4.752
99 H GLY 19 H GLY 19 -8.361 6.666 1.113
100 HA2 GLY 19 1HA GLY 19 -8.761 7.665 -1.058
101 HA3 GLY 19 2HA GLY 19 -10.246 8.347 -0.412
102 H LYS 20 H LYS 20 -7.008 8.334 1.025
103 HA LYS 20 HA LYS 20 -7.165 11.253 1.219
104 HB2 LYS 20 1HB LYS 20 -5.797 9.116 2.765
105 HB3 LYS 20 2HB LYS 20 -4.987 10.674 2.668
106 HG2 LYS 20 1HG LYS 20 -6.849 11.784 3.668
107 HG3 LYS 20 2HG LYS 20 -7.832 10.320 3.582
108 HD2 LYS 20 1HD LYS 20 -6.773 9.341 5.356
109 HD3 LYS 20 2HD LYS 20 -5.248 10.174 5.043
110 HE2 LYS 20 1HE LYS 20 -5.892 12.063 6.177
111 HE3 LYS 20 2HE LYS 20 -7.609 11.781 5.889
112 HZ1 LYS 20 3HZ LYS 20 -6.799 9.662 7.421
113 HZ2 LYS 20 1HZ LYS 20 -7.678 11.006 7.954
114 HZ3 LYS 20 2HZ LYS 20 -5.994 10.985 8.099
115 H PHE 21 H PHE 21 -4.676 12.117 1.335
116 HA PHE 21 HA PHE 21 -3.244 11.092 -1.008
117 HB2 PHE 21 1HB PHE 21 -4.714 13.010 -1.687
118 HB3 PHE 21 2HB PHE 21 -3.800 14.032 -0.582
119 HD1 PHE 21 HD1 PHE 21 -3.550 11.967 -3.634
120 HD2 PHE 21 HD2 PHE 21 -1.723 14.944 -1.203
121 HE1 PHE 21 HE1 PHE 21 -1.903 12.401 -5.410
122 HE2 PHE 21 HE2 PHE 21 -0.073 15.384 -2.974
123 HZ PHE 21 HZ PHE 21 -0.162 14.112 -5.081
124 H PHE 22 H PHE 22 -1.012 11.597 -1.065
125 HA PHE 22 HA PHE 22 0.133 12.914 1.273
126 HB2 PHE 22 1HB PHE 22 0.909 10.104 0.460
127 HB3 PHE 22 2HB PHE 22 1.646 11.051 1.749
128 HD1 PHE 22 HD2 PHE 22 -1.737 9.881 0.693
129 HD2 PHE 22 HD1 PHE 22 0.970 10.619 3.893
130 HE1 PHE 22 HE2 PHE 22 -3.382 8.983 2.287
131 HE2 PHE 22 HE1 PHE 22 -0.670 9.721 5.493
132 HZ PHE 22 HZ PHE 22 -2.850 8.903 4.690
133 H LEU 23 H LEU 23 2.643 12.889 1.025
134 HA LEU 23 HA LEU 23 3.313 13.314 -1.811
135 HB2 LEU 23 1HB LEU 23 3.951 15.016 0.580
136 HB3 LEU 23 2HB LEU 23 4.882 15.117 -0.914
137 HG LEU 23 HG LEU 23 3.193 16.893 -0.726
138 HD11 LEU 23 1HD1 LEU 23 2.032 15.371 -2.924
139 HD12 LEU 23 2HD1 LEU 23 3.795 15.358 -2.916
140 HD13 LEU 23 3HD1 LEU 23 2.925 16.892 -2.942
141 HD21 LEU 23 3HD2 LEU 23 0.972 16.540 -0.403
142 HD22 LEU 23 1HD2 LEU 23 1.589 15.123 0.446
143 HD23 LEU 23 2HD2 LEU 23 0.989 14.969 -1.205
144 H GLN 24 H GLN 24 4.424 12.403 1.396
145 HA GLN 24 HA GLN 24 6.969 11.474 0.280
146 HB2 GLN 24 1HB GLN 24 6.085 11.642 3.166
147 HB3 GLN 24 2HB GLN 24 7.698 11.230 2.599
148 HG2 GLN 24 1HG GLN 24 6.426 13.847 1.896
149 HG3 GLN 24 2HG GLN 24 7.264 13.612 3.430
150 HE21 GLN 24 1HE2 GLN 24 8.124 15.497 1.654
151 HE22 GLN 24 2HE2 GLN 24 9.639 15.016 0.976
152 H ALA 25 H ALA 25 6.970 9.465 -0.471
153 HA ALA 25 HA ALA 25 5.165 7.501 -0.341
154 HB1 ALA 25 3HB ALA 25 7.124 7.174 -1.640
155 HB2 ALA 25 1HB ALA 25 8.157 7.203 -0.210
156 HB3 ALA 25 2HB ALA 25 7.057 5.850 -0.477
157 H SER 26 H SER 26 7.879 7.562 1.980
158 HA SER 26 HA SER 26 7.183 5.574 3.667
159 HB2 SER 26 1HB SER 26 8.160 7.000 5.534
160 HB3 SER 26 2HB SER 26 9.184 6.788 4.113
161 HG SER 26 HG SER 26 8.960 8.847 3.625
162 H ASN 27 H ASN 27 6.066 8.937 4.095
163 HA ASN 27 HA ASN 27 4.333 8.499 6.211
164 HB2 ASN 27 1HB ASN 27 3.971 10.484 3.955
165 HB3 ASN 27 2HB ASN 27 3.224 10.577 5.548
166 HD21 ASN 27 1HD2 ASN 27 4.345 12.737 5.285
167 HD22 ASN 27 2HD2 ASN 27 5.952 12.847 5.909
168 H PHE 28 H PHE 28 3.839 8.010 2.770
169 HA PHE 28 HA PHE 28 1.028 7.559 2.944
170 HB2 PHE 28 1HB PHE 28 1.857 8.224 0.822
171 HB3 PHE 28 2HB PHE 28 3.090 6.967 0.825
172 HD1 PHE 28 HD1 PHE 28 2.526 4.669 0.296
173 HD2 PHE 28 HD2 PHE 28 -0.426 7.734 0.233
174 HE1 PHE 28 HE1 PHE 28 1.014 3.182 -0.953
175 HE2 PHE 28 HE2 PHE 28 -1.942 6.253 -1.015
176 HZ PHE 28 HZ PHE 28 -1.224 3.973 -1.609
177 H ILE 29 H ILE 29 3.870 5.563 3.259
178 HA ILE 29 HA ILE 29 2.511 3.058 3.028
179 HB ILE 29 HB ILE 29 5.192 3.666 4.279
180 HG12 ILE 29 1HG1 ILE 29 4.496 2.709 1.493
181 HG13 ILE 29 2HG1 ILE 29 5.050 4.328 1.908
182 HG21 ILE 29 1HG2 ILE 29 5.657 1.362 4.216
183 HG22 ILE 29 2HG2 ILE 29 4.034 1.488 4.894
184 HG23 ILE 29 3HG2 ILE 29 4.251 1.023 3.207
185 HD11 ILE 29 3HD1 ILE 29 7.083 3.004 2.922
186 HD12 ILE 29 1HD1 ILE 29 6.563 1.781 1.762
187 HD13 ILE 29 2HD1 ILE 29 7.001 3.396 1.204
188 H GLN 30 H GLN 30 3.784 4.922 5.780
189 HA GLN 30 HA GLN 30 2.898 3.138 7.775
190 HB2 GLN 30 1HB GLN 30 3.209 6.103 8.183
191 HB3 GLN 30 2HB GLN 30 3.484 4.807 9.339
192 HG2 GLN 30 1HG GLN 30 5.347 4.073 7.701
193 HG3 GLN 30 2HG GLN 30 5.206 5.716 7.077
194 HE21 GLN 30 1HE2 GLN 30 7.192 6.400 7.756
195 HE22 GLN 30 2HE2 GLN 30 7.610 6.602 9.419
196 H HIS 31 H HIS 31 1.104 4.936 5.672
197 HA HIS 31 HA HIS 31 -1.067 5.472 7.561
198 HB2 HIS 31 1HB HIS 31 -0.820 7.341 6.202
199 HB3 HIS 31 2HB HIS 31 -0.444 6.381 4.774
200 HD1 HIS 31 HD1 HIS 31 -3.369 7.476 6.885
201 HD2 HIS 31 HD2 HIS 31 -2.605 5.717 3.199
202 HE1 HIS 31 HE1 HIS 31 -5.579 7.440 5.686
203 H ARG 32 H ARG 32 -0.241 3.481 4.796
204 HA ARG 32 HA ARG 32 -2.860 2.428 4.393
205 HB2 ARG 32 1HB ARG 32 -0.213 1.219 3.577
206 HB3 ARG 32 2HB ARG 32 -1.793 0.836 2.908
207 HG2 ARG 32 1HG ARG 32 -0.913 3.659 2.776
208 HG3 ARG 32 2HG ARG 32 -0.103 2.499 1.721
209 HD2 ARG 32 1HD ARG 32 -3.085 2.918 1.894
210 HD3 ARG 32 2HD ARG 32 -2.036 3.575 0.638
211 HE ARG 32 HE ARG 32 -1.856 0.723 0.895
212 HH11 ARG 32 1HH1 ARG 32 -3.627 3.350 -0.548
213 HH12 ARG 32 2HH1 ARG 32 -4.226 2.395 -1.864
214 HH21 ARG 32 1HH2 ARG 32 -2.638 -0.544 -0.833
215 HH22 ARG 32 2HH2 ARG 32 -3.663 0.180 -2.025
216 H ARG 33 H ARG 33 -0.602 1.966 6.817
217 HA ARG 33 HA ARG 33 -1.036 -0.820 7.319
218 HB2 ARG 33 1HB ARG 33 -0.178 0.782 9.610
219 HB3 ARG 33 2HB ARG 33 0.602 -0.595 8.844
220 HG2 ARG 33 1HG ARG 33 1.105 1.225 6.975
221 HG3 ARG 33 2HG ARG 33 0.963 2.302 8.366
222 HD2 ARG 33 1HD ARG 33 2.618 -0.149 8.655
223 HD3 ARG 33 2HD ARG 33 3.265 1.178 7.690
224 HE ARG 33 HE ARG 33 2.495 2.425 9.943
225 HH11 ARG 33 1HH1 ARG 33 4.405 -0.430 9.377
226 HH12 ARG 33 2HH1 ARG 33 5.370 -0.225 10.802
227 HH21 ARG 33 1HH2 ARG 33 3.758 2.705 11.822
228 HH22 ARG 33 2HH2 ARG 33 5.000 1.558 12.192
229 H ILE 34 H ILE 34 -2.342 2.204 8.594
230 HA ILE 34 HA ILE 34 -3.770 1.372 10.764
231 HB ILE 34 HB ILE 34 -5.102 3.257 10.566
232 HG12 ILE 34 1HG1 ILE 34 -4.792 3.095 7.560
233 HG13 ILE 34 2HG1 ILE 34 -6.214 2.598 8.470
234 HG21 ILE 34 1HG2 ILE 34 -3.514 4.820 10.392
235 HG22 ILE 34 2HG2 ILE 34 -2.435 3.492 9.969
236 HG23 ILE 34 3HG2 ILE 34 -3.203 4.442 8.698
237 HD11 ILE 34 3HD1 ILE 34 -6.476 4.791 7.405
238 HD12 ILE 34 1HD1 ILE 34 -6.610 4.873 9.161
239 HD13 ILE 34 2HD1 ILE 34 -5.127 5.401 8.364
240 H HIS 35 H HIS 35 -4.723 1.078 7.366
241 HA HIS 35 HA HIS 35 -7.258 -0.110 7.955
242 HB2 HIS 35 1HB HIS 35 -5.779 -0.303 5.334
243 HB3 HIS 35 2HB HIS 35 -7.518 -0.362 5.605
244 HD1 HIS 35 HD1 HIS 35 -8.586 1.983 6.472
245 HD2 HIS 35 HD2 HIS 35 -4.820 2.167 4.727
246 HE1 HIS 35 HE1 HIS 35 -8.250 4.397 5.853
247 H THR 36 H THR 36 -4.039 -1.264 7.726
248 HA THR 36 HA THR 36 -5.028 -4.028 7.935
249 HB THR 36 HB THR 36 -4.136 -3.966 5.743
250 HG1 THR 36 HG1 THR 36 -3.037 -5.713 6.174
251 HG21 THR 36 3HG2 THR 36 -1.425 -3.087 6.276
252 HG22 THR 36 1HG2 THR 36 -2.606 -1.838 6.666
253 HG23 THR 36 2HG2 THR 36 -2.564 -2.538 5.048
254 H GLY 37 H GLY 37 -4.796 -4.056 10.169
255 HA2 GLY 37 1HA GLY 37 -2.311 -3.268 11.409
256 HA3 GLY 37 2HA GLY 37 -3.699 -3.987 12.212
257 H GLU 38 H GLU 38 -3.963 -6.336 10.740
258 HA GLU 38 HA GLU 38 -1.720 -7.839 11.814
259 HB2 GLU 38 1HB GLU 38 -4.268 -8.418 11.981
260 HB3 GLU 38 2HB GLU 38 -4.030 -9.089 10.373
261 HG2 GLU 38 1HG GLU 38 -2.563 -10.724 11.137
262 HG3 GLU 38 2HG GLU 38 -2.252 -9.872 12.648
263 H LYS 39 H LYS 39 -0.557 -9.410 10.586
264 HA LYS 39 HA LYS 39 -0.738 -9.311 7.693
265 HB2 LYS 39 1HB LYS 39 1.664 -8.302 9.212
266 HB3 LYS 39 2HB LYS 39 1.753 -8.820 7.534
267 HG2 LYS 39 1HG LYS 39 -0.039 -7.123 7.034
268 HG3 LYS 39 2HG LYS 39 0.197 -6.516 8.675
269 HD2 LYS 39 1HD LYS 39 1.603 -5.145 7.462
270 HD3 LYS 39 2HD LYS 39 2.709 -6.420 7.977
271 HE2 LYS 39 1HE LYS 39 1.268 -6.716 5.384
272 HE3 LYS 39 2HE LYS 39 2.637 -5.608 5.475
273 HZ1 LYS 39 3HZ LYS 39 3.745 -7.684 6.608
274 HZ2 LYS 39 1HZ LYS 39 3.704 -7.522 4.925
275 HZ3 LYS 39 2HZ LYS 39 2.587 -8.524 5.705
276 HA PRO 40 HA PRO 40 0.447 -13.522 8.182
277 HB2 PRO 40 1HB PRO 40 1.289 -14.032 5.652
278 HB3 PRO 40 2HB PRO 40 -0.417 -13.854 6.079
279 HG2 PRO 40 1HG PRO 40 1.448 -11.858 4.855
280 HG3 PRO 40 2HG PRO 40 -0.237 -12.218 4.437
281 HD2 PRO 40 1HD PRO 40 0.464 -10.085 5.950
282 HD3 PRO 40 2HD PRO 40 -1.071 -10.949 6.171
283 H SER 41 H SER 41 2.248 -14.764 8.563
284 HA SER 41 HA SER 41 4.615 -13.671 9.313
285 HB2 SER 41 1HB SER 41 4.130 -16.419 8.148
286 HB3 SER 41 2HB SER 41 5.635 -15.944 8.934
287 HG SER 41 HG SER 41 3.487 -16.872 10.091
288 H GLY 42 H GLY 42 4.230 -15.390 6.203
289 HA2 GLY 42 1HA GLY 42 5.633 -13.357 4.754
290 HA3 GLY 42 2HA GLY 42 6.646 -14.760 5.060
291 HA PRO 43 HA PRO 43 2.947 -16.096 2.194
292 HB2 PRO 43 1HB PRO 43 1.797 -14.055 0.822
293 HB3 PRO 43 2HB PRO 43 1.198 -14.618 2.387
294 HG2 PRO 43 1HG PRO 43 2.945 -12.268 1.761
295 HG3 PRO 43 2HG PRO 43 1.572 -12.376 2.878
296 HD2 PRO 43 1HD PRO 43 4.145 -12.484 3.716
297 HD3 PRO 43 2HD PRO 43 2.836 -13.361 4.535
298 H SER 44 H SER 44 5.108 -13.442 1.436
299 HA SER 44 HA SER 44 5.910 -14.850 -1.006
300 HB2 SER 44 1HB SER 44 4.825 -12.084 -0.817
301 HB3 SER 44 2HB SER 44 6.180 -12.348 -1.915
302 HG SER 44 HG SER 44 4.969 -13.673 -3.122
303 H SER 45 H SER 45 8.049 -14.353 -1.727
304 HA SER 45 HA SER 45 10.021 -14.376 0.126
305 HB2 SER 45 1HB SER 45 10.121 -14.541 -2.487
306 HB3 SER 45 2HB SER 45 10.512 -12.824 -2.394
307 HG SER 45 HG SER 45 12.437 -13.330 -1.736
308 H GLY 46 H GLY 46 9.084 -11.406 -1.626
309 HA2 GLY 46 1HA GLY 46 9.153 -9.199 -0.997
310 HA3 GLY 46 2HA GLY 46 9.023 -9.769 0.661
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -16.182 5.465 -20.655
2 HA2 GLY 1 1HA GLY 1 -17.054 7.294 -19.386
3 HA3 GLY 1 2HA GLY 1 -15.840 6.976 -18.156
4 H SER 2 H SER 2 -16.487 9.488 -19.481
5 HA SER 2 HA SER 2 -13.926 10.001 -20.848
6 HB2 SER 2 1HB SER 2 -16.141 10.350 -22.122
7 HB3 SER 2 2HB SER 2 -16.356 11.764 -21.091
8 HG SER 2 HG SER 2 -14.333 12.525 -21.875
9 H SER 3 H SER 3 -14.228 9.961 -18.008
10 HA SER 3 HA SER 3 -14.685 12.366 -16.754
11 HB2 SER 3 1HB SER 3 -12.947 11.597 -15.079
12 HB3 SER 3 2HB SER 3 -14.223 10.431 -15.426
13 HG SER 3 HG SER 3 -11.907 10.322 -16.976
14 H GLY 4 H GLY 4 -12.216 11.595 -18.991
15 HA2 GLY 4 1HA GLY 4 -10.619 12.938 -19.967
16 HA3 GLY 4 2HA GLY 4 -11.266 14.284 -19.041
17 H SER 5 H SER 5 -8.797 11.908 -19.274
18 HA SER 5 HA SER 5 -7.549 12.997 -16.837
19 HB2 SER 5 1HB SER 5 -7.573 10.151 -17.846
20 HB3 SER 5 2HB SER 5 -6.410 10.726 -16.651
21 HG SER 5 HG SER 5 -7.924 10.318 -15.261
22 H SER 6 H SER 6 -6.041 14.355 -17.579
23 HA SER 6 HA SER 6 -3.748 13.377 -18.916
24 HB2 SER 6 1HB SER 6 -5.082 13.438 -20.921
25 HB3 SER 6 2HB SER 6 -5.655 15.064 -20.551
26 HG SER 6 HG SER 6 -2.957 14.351 -21.082
27 H GLY 7 H GLY 7 -2.031 14.754 -18.689
28 HA2 GLY 7 1HA GLY 7 -1.605 17.324 -18.628
29 HA3 GLY 7 2HA GLY 7 -2.587 17.208 -17.175
30 H HIS 8 H HIS 8 -1.254 17.506 -15.510
31 HA HIS 8 HA HIS 8 1.211 15.892 -15.424
32 HB2 HIS 8 1HB HIS 8 0.754 18.685 -14.357
33 HB3 HIS 8 2HB HIS 8 2.185 17.717 -14.014
34 HD2 HIS 8 HD2 HIS 8 3.240 20.156 -15.443
35 HE1 HIS 8 HE1 HIS 8 2.594 18.266 -19.186
36 HE2 HIS 8 HE2 HIS 8 3.823 20.092 -17.962
37 H GLY 9 H GLY 9 0.082 14.222 -14.330
38 HA2 GLY 9 1HA GLY 9 -0.831 14.914 -11.612
39 HA3 GLY 9 2HA GLY 9 -1.346 13.497 -12.514
40 H GLU 10 H GLU 10 -0.764 12.051 -10.898
41 HA GLU 10 HA GLU 10 0.595 10.726 -9.632
42 HB2 GLU 10 1HB GLU 10 2.113 11.174 -12.169
43 HB3 GLU 10 2HB GLU 10 2.886 10.295 -10.858
44 HG2 GLU 10 1HG GLU 10 1.944 8.637 -12.186
45 HG3 GLU 10 2HG GLU 10 0.808 8.819 -10.850
46 H ARG 11 H ARG 11 0.597 13.331 -8.735
47 HA ARG 11 HA ARG 11 3.408 13.909 -8.107
48 HB2 ARG 11 1HB ARG 11 0.918 15.576 -8.152
49 HB3 ARG 11 2HB ARG 11 2.279 16.068 -7.153
50 HG2 ARG 11 1HG ARG 11 2.464 15.532 -10.108
51 HG3 ARG 11 2HG ARG 11 2.213 17.128 -9.399
52 HD2 ARG 11 1HD ARG 11 4.347 16.468 -8.002
53 HD3 ARG 11 2HD ARG 11 4.628 15.385 -9.365
54 HE ARG 11 HE ARG 11 4.057 18.068 -10.181
55 HH11 ARG 11 1HH1 ARG 11 6.556 15.924 -9.050
56 HH12 ARG 11 2HH1 ARG 11 7.843 16.836 -9.766
57 HH21 ARG 11 1HH2 ARG 11 5.743 19.278 -11.128
58 HH22 ARG 11 2HH2 ARG 11 7.380 18.744 -10.947
59 H GLY 12 H GLY 12 2.233 11.712 -6.838
60 HA2 GLY 12 1HA GLY 12 2.957 11.900 -4.247
61 HA3 GLY 12 2HA GLY 12 1.318 12.535 -4.218
62 H HIS 13 H HIS 13 0.737 10.778 -2.840
63 HA HIS 13 HA HIS 13 0.093 8.362 -4.362
64 HB2 HIS 13 1HB HIS 13 1.379 8.333 -1.623
65 HB3 HIS 13 2HB HIS 13 0.775 6.920 -2.483
66 HD2 HIS 13 HD2 HIS 13 3.814 9.369 -2.582
67 HE1 HIS 13 HE1 HIS 13 4.579 6.150 -5.238
68 HE2 HIS 13 HE2 HIS 13 5.553 8.153 -4.060
69 H ARG 14 H ARG 14 -2.047 8.242 -4.302
70 HA ARG 14 HA ARG 14 -3.483 9.220 -1.947
71 HB2 ARG 14 1HB ARG 14 -4.261 10.116 -4.048
72 HB3 ARG 14 2HB ARG 14 -4.425 8.502 -4.725
73 HG2 ARG 14 1HG ARG 14 -6.062 8.209 -2.661
74 HG3 ARG 14 2HG ARG 14 -6.184 9.960 -2.840
75 HD2 ARG 14 1HD ARG 14 -7.920 8.833 -4.123
76 HD3 ARG 14 2HD ARG 14 -6.798 9.676 -5.190
77 HE ARG 14 HE ARG 14 -5.821 7.133 -5.048
78 HH11 ARG 14 1HH1 ARG 14 -8.883 8.547 -5.910
79 HH12 ARG 14 2HH1 ARG 14 -9.293 7.294 -7.034
80 HH21 ARG 14 1HH2 ARG 14 -6.349 5.478 -6.525
81 HH22 ARG 14 2HH2 ARG 14 -7.851 5.548 -7.383
82 H CYS 15 H CYS 15 -4.839 7.954 -0.731
83 HA CYS 15 HA CYS 15 -4.316 5.121 -0.790
84 HB2 CYS 15 1HB CYS 15 -4.542 6.535 1.310
85 HB3 CYS 15 2HB CYS 15 -6.274 6.567 0.994
86 H SER 16 H SER 16 -6.094 3.527 -0.647
87 HA SER 16 HA SER 16 -8.296 4.271 -2.459
88 HB2 SER 16 1HB SER 16 -8.264 2.080 -3.367
89 HB3 SER 16 2HB SER 16 -6.570 2.559 -3.257
90 HG SER 16 HG SER 16 -7.085 0.407 -2.450
91 H ASP 17 H ASP 17 -7.407 2.642 0.506
92 HA ASP 17 HA ASP 17 -9.901 1.458 1.082
93 HB2 ASP 17 1HB ASP 17 -7.480 2.180 2.676
94 HB3 ASP 17 2HB ASP 17 -8.958 1.759 3.537
95 H CYS 18 H CYS 18 -8.486 4.560 2.090
96 HA CYS 18 HA CYS 18 -11.130 5.389 3.068
97 HB2 CYS 18 1HB CYS 18 -9.867 7.232 4.200
98 HB3 CYS 18 2HB CYS 18 -9.425 5.618 4.747
99 H GLY 19 H GLY 19 -8.380 6.566 1.139
100 HA2 GLY 19 1HA GLY 19 -8.838 7.556 -1.036
101 HA3 GLY 19 2HA GLY 19 -10.294 8.255 -0.343
102 H LYS 20 H LYS 20 -7.167 8.216 1.251
103 HA LYS 20 HA LYS 20 -7.240 11.116 1.416
104 HB2 LYS 20 1HB LYS 20 -5.791 8.932 2.815
105 HB3 LYS 20 2HB LYS 20 -4.988 10.494 2.728
106 HG2 LYS 20 1HG LYS 20 -6.923 11.551 3.778
107 HG3 LYS 20 2HG LYS 20 -7.732 9.985 3.862
108 HD2 LYS 20 1HD LYS 20 -6.838 10.055 5.961
109 HD3 LYS 20 2HD LYS 20 -5.489 9.309 5.101
110 HE2 LYS 20 1HE LYS 20 -4.546 11.024 6.420
111 HE3 LYS 20 2HE LYS 20 -4.580 11.647 4.771
112 HZ1 LYS 20 3HZ LYS 20 -5.489 12.996 6.875
113 HZ2 LYS 20 1HZ LYS 20 -6.918 12.234 6.385
114 HZ3 LYS 20 2HZ LYS 20 -6.073 13.222 5.303
115 H PHE 21 H PHE 21 -4.730 11.963 1.448
116 HA PHE 21 HA PHE 21 -3.429 11.034 -1.007
117 HB2 PHE 21 1HB PHE 21 -4.930 12.975 -1.538
118 HB3 PHE 21 2HB PHE 21 -3.961 13.956 -0.443
119 HD1 PHE 21 HD1 PHE 21 -3.907 12.056 -3.602
120 HD2 PHE 21 HD2 PHE 21 -1.876 14.846 -1.111
121 HE1 PHE 21 HE1 PHE 21 -2.351 12.559 -5.440
122 HE2 PHE 21 HE2 PHE 21 -0.317 15.355 -2.945
123 HZ PHE 21 HZ PHE 21 -0.554 14.212 -5.114
124 H PHE 22 H PHE 22 -1.202 11.550 -1.162
125 HA PHE 22 HA PHE 22 0.074 12.815 1.125
126 HB2 PHE 22 1HB PHE 22 0.756 9.985 0.304
127 HB3 PHE 22 2HB PHE 22 1.562 10.925 1.555
128 HD1 PHE 22 HD2 PHE 22 -1.828 9.686 0.628
129 HD2 PHE 22 HD1 PHE 22 0.909 10.649 3.742
130 HE1 PHE 22 HE2 PHE 22 -3.425 8.830 2.291
131 HE2 PHE 22 HE1 PHE 22 -0.684 9.793 5.411
132 HZ PHE 22 HZ PHE 22 -2.855 8.883 4.686
133 H LEU 23 H LEU 23 2.542 12.816 0.774
134 HA LEU 23 HA LEU 23 3.091 13.207 -2.095
135 HB2 LEU 23 1HB LEU 23 3.953 14.832 0.282
136 HB3 LEU 23 2HB LEU 23 4.760 14.943 -1.281
137 HG LEU 23 HG LEU 23 3.135 16.760 -0.885
138 HD11 LEU 23 1HD1 LEU 23 2.066 16.640 -3.046
139 HD12 LEU 23 2HD1 LEU 23 2.332 14.899 -3.116
140 HD13 LEU 23 3HD1 LEU 23 3.707 16.003 -3.160
141 HD21 LEU 23 3HD2 LEU 23 0.840 14.960 -1.334
142 HD22 LEU 23 1HD2 LEU 23 0.957 16.440 -0.382
143 HD23 LEU 23 2HD2 LEU 23 1.563 14.919 0.275
144 H GLN 24 H GLN 24 4.422 12.312 1.050
145 HA GLN 24 HA GLN 24 6.814 11.237 -0.250
146 HB2 GLN 24 1HB GLN 24 6.250 11.349 2.710
147 HB3 GLN 24 2HB GLN 24 7.804 11.126 1.918
148 HG2 GLN 24 1HG GLN 24 7.194 13.491 0.891
149 HG3 GLN 24 2HG GLN 24 6.234 13.597 2.365
150 HE21 GLN 24 1HE2 GLN 24 7.220 14.103 4.213
151 HE22 GLN 24 2HE2 GLN 24 8.929 14.244 4.424
152 H ALA 25 H ALA 25 6.853 9.175 -0.820
153 HA ALA 25 HA ALA 25 4.950 7.288 -0.588
154 HB1 ALA 25 3HB ALA 25 7.213 7.158 -1.776
155 HB2 ALA 25 1HB ALA 25 7.825 6.491 -0.262
156 HB3 ALA 25 2HB ALA 25 6.538 5.660 -1.136
157 H SER 26 H SER 26 7.700 7.459 1.685
158 HA SER 26 HA SER 26 7.023 5.528 3.464
159 HB2 SER 26 1HB SER 26 9.026 6.610 3.954
160 HB3 SER 26 2HB SER 26 8.303 8.215 3.845
161 HG SER 26 HG SER 26 7.398 6.472 5.838
162 H ASN 27 H ASN 27 5.967 8.924 3.765
163 HA ASN 27 HA ASN 27 4.281 8.620 5.937
164 HB2 ASN 27 1HB ASN 27 4.021 10.495 3.577
165 HB3 ASN 27 2HB ASN 27 3.098 10.644 5.070
166 HD21 ASN 27 1HD2 ASN 27 4.629 12.712 4.231
167 HD22 ASN 27 2HD2 ASN 27 6.000 12.900 5.266
168 H PHE 28 H PHE 28 3.723 7.883 2.560
169 HA PHE 28 HA PHE 28 0.900 7.466 2.857
170 HB2 PHE 28 1HB PHE 28 1.652 8.093 0.685
171 HB3 PHE 28 2HB PHE 28 2.863 6.815 0.660
172 HD1 PHE 28 HD1 PHE 28 2.207 4.489 0.291
173 HD2 PHE 28 HD2 PHE 28 -0.633 7.656 0.138
174 HE1 PHE 28 HE1 PHE 28 0.615 3.001 -0.850
175 HE2 PHE 28 HE2 PHE 28 -2.230 6.172 -1.003
176 HZ PHE 28 HZ PHE 28 -1.608 3.841 -1.497
177 H ILE 29 H ILE 29 3.780 5.475 2.982
178 HA ILE 29 HA ILE 29 2.431 2.968 2.914
179 HB ILE 29 HB ILE 29 5.174 3.634 3.992
180 HG12 ILE 29 1HG1 ILE 29 4.314 2.578 1.289
181 HG13 ILE 29 2HG1 ILE 29 4.894 4.207 1.614
182 HG21 ILE 29 1HG2 ILE 29 3.896 1.410 4.608
183 HG22 ILE 29 2HG2 ILE 29 4.426 0.935 2.995
184 HG23 ILE 29 3HG2 ILE 29 5.614 1.402 4.212
185 HD11 ILE 29 3HD1 ILE 29 6.723 2.121 2.506
186 HD12 ILE 29 1HD1 ILE 29 6.421 2.113 0.768
187 HD13 ILE 29 2HD1 ILE 29 7.027 3.573 1.552
188 H GLN 30 H GLN 30 3.831 4.901 5.555
189 HA GLN 30 HA GLN 30 3.057 3.145 7.626
190 HB2 GLN 30 1HB GLN 30 3.442 6.119 7.926
191 HB3 GLN 30 2HB GLN 30 3.698 4.868 9.135
192 HG2 GLN 30 1HG GLN 30 5.479 4.004 7.428
193 HG3 GLN 30 2HG GLN 30 5.411 5.662 6.835
194 HE21 GLN 30 1HE2 GLN 30 7.759 5.120 7.655
195 HE22 GLN 30 2HE2 GLN 30 8.098 5.699 9.247
196 H HIS 31 H HIS 31 1.153 4.889 5.591
197 HA HIS 31 HA HIS 31 -0.906 5.476 7.590
198 HB2 HIS 31 1HB HIS 31 -0.730 7.332 6.207
199 HB3 HIS 31 2HB HIS 31 -0.420 6.361 4.771
200 HD1 HIS 31 HD1 HIS 31 -3.243 7.483 7.001
201 HD2 HIS 31 HD2 HIS 31 -2.652 5.680 3.304
202 HE1 HIS 31 HE1 HIS 31 -5.506 7.437 5.906
203 H ARG 32 H ARG 32 -0.320 3.555 4.692
204 HA ARG 32 HA ARG 32 -2.926 2.495 4.449
205 HB2 ARG 32 1HB ARG 32 -0.291 1.309 3.557
206 HB3 ARG 32 2HB ARG 32 -1.881 0.788 3.016
207 HG2 ARG 32 1HG ARG 32 -1.190 3.647 2.665
208 HG3 ARG 32 2HG ARG 32 -0.385 2.472 1.623
209 HD2 ARG 32 1HD ARG 32 -3.364 2.485 1.997
210 HD3 ARG 32 2HD ARG 32 -2.575 3.499 0.790
211 HE ARG 32 HE ARG 32 -1.578 1.053 0.254
212 HH11 ARG 32 1HH1 ARG 32 -4.820 2.242 0.700
213 HH12 ARG 32 2HH1 ARG 32 -5.533 1.080 -0.369
214 HH21 ARG 32 1HH2 ARG 32 -2.505 -0.482 -1.156
215 HH22 ARG 32 2HH2 ARG 32 -4.215 -0.470 -1.424
216 H ARG 33 H ARG 33 -0.626 2.038 6.825
217 HA ARG 33 HA ARG 33 -1.108 -0.734 7.386
218 HB2 ARG 33 1HB ARG 33 -0.125 0.864 9.623
219 HB3 ARG 33 2HB ARG 33 0.601 -0.528 8.829
220 HG2 ARG 33 1HG ARG 33 1.075 1.268 6.940
221 HG3 ARG 33 2HG ARG 33 0.983 2.365 8.320
222 HD2 ARG 33 1HD ARG 33 2.612 -0.093 8.632
223 HD3 ARG 33 2HD ARG 33 3.247 1.171 7.579
224 HE ARG 33 HE ARG 33 2.526 2.485 9.857
225 HH11 ARG 33 1HH1 ARG 33 4.594 -0.220 9.131
226 HH12 ARG 33 2HH1 ARG 33 5.673 0.083 10.452
227 HH21 ARG 33 1HH2 ARG 33 3.939 2.895 11.600
228 HH22 ARG 33 2HH2 ARG 33 5.299 1.855 11.856
229 H ILE 34 H ILE 34 -2.140 2.339 8.843
230 HA ILE 34 HA ILE 34 -3.558 1.556 11.004
231 HB ILE 34 HB ILE 34 -4.786 3.512 10.889
232 HG12 ILE 34 1HG1 ILE 34 -4.650 3.377 7.869
233 HG13 ILE 34 2HG1 ILE 34 -6.039 2.914 8.847
234 HG21 ILE 34 1HG2 ILE 34 -2.166 3.647 10.253
235 HG22 ILE 34 2HG2 ILE 34 -2.873 4.522 8.896
236 HG23 ILE 34 3HG2 ILE 34 -3.184 5.057 10.547
237 HD11 ILE 34 3HD1 ILE 34 -6.259 5.141 7.823
238 HD12 ILE 34 1HD1 ILE 34 -6.332 5.181 9.584
239 HD13 ILE 34 2HD1 ILE 34 -4.859 5.678 8.751
240 H HIS 35 H HIS 35 -4.480 1.094 7.653
241 HA HIS 35 HA HIS 35 -7.154 0.273 8.161
242 HB2 HIS 35 1HB HIS 35 -5.372 -0.321 5.789
243 HB3 HIS 35 2HB HIS 35 -7.116 -0.558 5.843
244 HD1 HIS 35 HD1 HIS 35 -8.598 1.505 5.559
245 HD2 HIS 35 HD2 HIS 35 -4.535 2.373 5.603
246 HE1 HIS 35 HE1 HIS 35 -8.413 3.896 4.802
247 H THR 36 H THR 36 -4.081 -1.424 7.866
248 HA THR 36 HA THR 36 -4.747 -4.026 7.609
249 HB THR 36 HB THR 36 -2.831 -4.643 8.958
250 HG1 THR 36 HG1 THR 36 -3.104 -3.309 10.751
251 HG21 THR 36 3HG2 THR 36 -1.276 -2.604 8.059
252 HG22 THR 36 1HG2 THR 36 -2.705 -2.414 7.043
253 HG23 THR 36 2HG2 THR 36 -1.832 -3.947 7.059
254 H GLY 37 H GLY 37 -6.395 -5.110 8.475
255 HA2 GLY 37 1HA GLY 37 -7.527 -4.457 11.016
256 HA3 GLY 37 2HA GLY 37 -7.964 -5.826 10.003
257 H GLU 38 H GLU 38 -6.107 -7.539 9.913
258 HA GLU 38 HA GLU 38 -5.029 -7.894 12.630
259 HB2 GLU 38 1HB GLU 38 -6.360 -9.980 10.895
260 HB3 GLU 38 2HB GLU 38 -5.489 -10.336 12.379
261 HG2 GLU 38 1HG GLU 38 -7.072 -9.019 13.656
262 HG3 GLU 38 2HG GLU 38 -7.925 -8.581 12.178
263 H LYS 39 H LYS 39 -2.892 -7.821 12.491
264 HA LYS 39 HA LYS 39 -1.571 -8.861 10.087
265 HB2 LYS 39 1HB LYS 39 -0.611 -7.019 12.279
266 HB3 LYS 39 2HB LYS 39 0.441 -7.656 11.022
267 HG2 LYS 39 1HG LYS 39 -2.039 -6.281 10.162
268 HG3 LYS 39 2HG LYS 39 -0.736 -5.292 10.826
269 HD2 LYS 39 1HD LYS 39 -0.171 -5.303 8.600
270 HD3 LYS 39 2HD LYS 39 0.743 -6.700 9.174
271 HE2 LYS 39 1HE LYS 39 -0.769 -8.217 8.250
272 HE3 LYS 39 2HE LYS 39 -2.044 -7.007 8.116
273 HZ1 LYS 39 3HZ LYS 39 -1.400 -6.936 5.987
274 HZ2 LYS 39 1HZ LYS 39 0.117 -7.619 6.297
275 HZ3 LYS 39 2HZ LYS 39 -0.134 -5.965 6.551
276 HA PRO 40 HA PRO 40 -0.131 -12.426 12.236
277 HB2 PRO 40 1HB PRO 40 2.011 -13.020 10.678
278 HB3 PRO 40 2HB PRO 40 0.343 -13.296 10.163
279 HG2 PRO 40 1HG PRO 40 2.184 -11.033 9.490
280 HG3 PRO 40 2HG PRO 40 1.083 -11.932 8.430
281 HD2 PRO 40 1HD PRO 40 0.470 -9.494 9.435
282 HD3 PRO 40 2HD PRO 40 -0.761 -10.733 9.119
283 H SER 41 H SER 41 1.728 -13.254 13.404
284 HA SER 41 HA SER 41 3.298 -11.087 14.563
285 HB2 SER 41 1HB SER 41 2.568 -13.860 15.415
286 HB3 SER 41 2HB SER 41 4.007 -13.111 16.105
287 HG SER 41 HG SER 41 2.700 -11.396 16.816
288 H GLY 42 H GLY 42 4.851 -10.699 12.980
289 HA2 GLY 42 1HA GLY 42 6.718 -11.094 11.677
290 HA3 GLY 42 2HA GLY 42 7.291 -11.868 13.147
291 HA PRO 43 HA PRO 43 5.404 -15.403 10.437
292 HB2 PRO 43 1HB PRO 43 4.684 -14.743 7.904
293 HB3 PRO 43 2HB PRO 43 3.569 -14.656 9.273
294 HG2 PRO 43 1HG PRO 43 5.130 -12.465 7.960
295 HG3 PRO 43 2HG PRO 43 3.444 -12.463 8.510
296 HD2 PRO 43 1HD PRO 43 5.445 -11.335 9.944
297 HD3 PRO 43 2HD PRO 43 4.029 -12.086 10.707
298 H SER 44 H SER 44 7.532 -12.952 9.273
299 HA SER 44 HA SER 44 9.332 -14.998 8.239
300 HB2 SER 44 1HB SER 44 9.767 -13.697 6.168
301 HB3 SER 44 2HB SER 44 8.114 -14.307 6.246
302 HG SER 44 HG SER 44 8.960 -11.676 6.900
303 H SER 45 H SER 45 11.110 -14.686 9.396
304 HA SER 45 HA SER 45 11.883 -12.665 10.971
305 HB2 SER 45 1HB SER 45 14.209 -13.341 10.656
306 HB3 SER 45 2HB SER 45 13.166 -14.762 10.676
307 HG SER 45 HG SER 45 14.801 -13.872 8.722
308 H GLY 46 H GLY 46 13.218 -10.802 10.820
309 HA2 GLY 46 1HA GLY 46 14.527 -9.367 9.235
310 HA3 GLY 46 2HA GLY 46 13.166 -9.557 8.140
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -16.778 6.446 -18.748
2 HA2 GLY 1 1HA GLY 1 -14.526 5.750 -19.860
3 HA3 GLY 1 2HA GLY 1 -14.456 6.728 -18.401
4 H SER 2 H SER 2 -13.557 3.816 -19.850
5 HA SER 2 HA SER 2 -13.210 2.313 -17.412
6 HB2 SER 2 1HB SER 2 -12.602 1.839 -20.309
7 HB3 SER 2 2HB SER 2 -11.837 0.824 -19.086
8 HG SER 2 HG SER 2 -13.754 0.006 -18.535
9 H SER 3 H SER 3 -11.854 3.562 -16.126
10 HA SER 3 HA SER 3 -9.034 3.410 -16.855
11 HB2 SER 3 1HB SER 3 -9.833 5.672 -17.559
12 HB3 SER 3 2HB SER 3 -10.276 5.994 -15.882
13 HG SER 3 HG SER 3 -7.815 6.021 -17.083
14 H GLY 4 H GLY 4 -7.679 3.113 -15.133
15 HA2 GLY 4 1HA GLY 4 -8.769 3.414 -12.428
16 HA3 GLY 4 2HA GLY 4 -8.223 1.818 -12.922
17 H SER 5 H SER 5 -5.933 2.204 -14.220
18 HA SER 5 HA SER 5 -4.137 2.942 -12.107
19 HB2 SER 5 1HB SER 5 -2.367 2.304 -13.781
20 HB3 SER 5 2HB SER 5 -3.550 1.038 -13.453
21 HG SER 5 HG SER 5 -4.411 1.306 -15.412
22 H SER 6 H SER 6 -2.307 4.414 -12.418
23 HA SER 6 HA SER 6 -3.200 6.868 -13.730
24 HB2 SER 6 1HB SER 6 -0.956 6.380 -11.757
25 HB3 SER 6 2HB SER 6 -1.406 7.957 -12.406
26 HG SER 6 HG SER 6 -2.401 7.641 -10.409
27 H GLY 7 H GLY 7 -0.310 4.802 -13.538
28 HA2 GLY 7 1HA GLY 7 0.841 4.208 -15.590
29 HA3 GLY 7 2HA GLY 7 0.446 5.805 -16.207
30 H HIS 8 H HIS 8 2.437 6.615 -16.602
31 HA HIS 8 HA HIS 8 4.409 6.554 -14.425
32 HB2 HIS 8 1HB HIS 8 4.939 5.739 -16.824
33 HB3 HIS 8 2HB HIS 8 4.986 7.450 -17.237
34 HD2 HIS 8 HD2 HIS 8 6.718 8.605 -14.757
35 HE1 HIS 8 HE1 HIS 8 9.556 5.636 -15.822
36 HE2 HIS 8 HE2 HIS 8 9.139 7.734 -14.491
37 H GLY 9 H GLY 9 4.283 8.281 -13.144
38 HA2 GLY 9 1HA GLY 9 4.627 10.913 -14.240
39 HA3 GLY 9 2HA GLY 9 3.019 10.667 -13.573
40 H GLU 10 H GLU 10 4.682 12.603 -12.547
41 HA GLU 10 HA GLU 10 5.717 11.458 -10.049
42 HB2 GLU 10 1HB GLU 10 6.341 13.908 -11.624
43 HB3 GLU 10 2HB GLU 10 6.539 13.983 -9.879
44 HG2 GLU 10 1HG GLU 10 7.880 12.053 -11.757
45 HG3 GLU 10 2HG GLU 10 8.631 13.413 -10.924
46 H ARG 11 H ARG 11 3.496 11.174 -9.291
47 HA ARG 11 HA ARG 11 2.369 13.694 -8.257
48 HB2 ARG 11 1HB ARG 11 1.049 11.298 -9.450
49 HB3 ARG 11 2HB ARG 11 0.209 12.164 -8.170
50 HG2 ARG 11 1HG ARG 11 1.248 13.481 -10.666
51 HG3 ARG 11 2HG ARG 11 -0.393 12.856 -10.492
52 HD2 ARG 11 1HD ARG 11 -0.608 14.331 -8.456
53 HD3 ARG 11 2HD ARG 11 0.918 15.074 -8.936
54 HE ARG 11 HE ARG 11 -0.917 15.096 -11.091
55 HH11 ARG 11 1HH1 ARG 11 -0.240 16.644 -8.047
56 HH12 ARG 11 2HH1 ARG 11 -0.995 18.139 -8.491
57 HH21 ARG 11 1HH2 ARG 11 -1.915 17.059 -11.686
58 HH22 ARG 11 2HH2 ARG 11 -1.948 18.373 -10.561
59 H GLY 12 H GLY 12 0.735 13.038 -6.360
60 HA2 GLY 12 1HA GLY 12 2.421 11.986 -4.292
61 HA3 GLY 12 2HA GLY 12 0.769 12.554 -4.103
62 H HIS 13 H HIS 13 0.017 10.882 -2.866
63 HA HIS 13 HA HIS 13 -0.502 8.404 -4.291
64 HB2 HIS 13 1HB HIS 13 0.882 8.404 -1.600
65 HB3 HIS 13 2HB HIS 13 0.319 6.980 -2.470
66 HD2 HIS 13 HD2 HIS 13 3.317 9.432 -2.439
67 HE1 HIS 13 HE1 HIS 13 4.022 6.535 -5.457
68 HE2 HIS 13 HE2 HIS 13 5.025 8.387 -4.077
69 H ARG 14 H ARG 14 -2.657 8.402 -4.183
70 HA ARG 14 HA ARG 14 -4.003 9.290 -1.755
71 HB2 ARG 14 1HB ARG 14 -4.852 10.128 -3.880
72 HB3 ARG 14 2HB ARG 14 -5.092 8.484 -4.457
73 HG2 ARG 14 1HG ARG 14 -6.684 8.192 -2.500
74 HG3 ARG 14 2HG ARG 14 -6.602 9.945 -2.317
75 HD2 ARG 14 1HD ARG 14 -7.344 8.576 -4.894
76 HD3 ARG 14 2HD ARG 14 -8.528 9.084 -3.690
77 HE ARG 14 HE ARG 14 -6.736 11.168 -4.567
78 HH11 ARG 14 1HH1 ARG 14 -9.760 9.533 -5.114
79 HH12 ARG 14 2HH1 ARG 14 -10.475 10.861 -5.965
80 HH21 ARG 14 1HH2 ARG 14 -7.666 12.925 -5.686
81 HH22 ARG 14 2HH2 ARG 14 -9.282 12.790 -6.291
82 H CYS 15 H CYS 15 -5.222 8.001 -0.443
83 HA CYS 15 HA CYS 15 -4.699 5.159 -0.592
84 HB2 CYS 15 1HB CYS 15 -4.552 6.294 1.568
85 HB3 CYS 15 2HB CYS 15 -6.236 6.793 1.439
86 H SER 16 H SER 16 -6.407 3.556 -0.380
87 HA SER 16 HA SER 16 -8.817 4.361 -1.865
88 HB2 SER 16 1HB SER 16 -7.324 2.678 -2.958
89 HB3 SER 16 2HB SER 16 -7.638 1.584 -1.611
90 HG SER 16 HG SER 16 -9.834 2.690 -2.931
91 H ASP 17 H ASP 17 -7.627 2.698 0.972
92 HA ASP 17 HA ASP 17 -10.009 1.497 1.830
93 HB2 ASP 17 1HB ASP 17 -7.644 2.535 3.399
94 HB3 ASP 17 2HB ASP 17 -8.955 1.601 4.115
95 H CYS 18 H CYS 18 -8.654 4.702 2.533
96 HA CYS 18 HA CYS 18 -11.261 5.473 3.666
97 HB2 CYS 18 1HB CYS 18 -10.012 7.292 4.822
98 HB3 CYS 18 2HB CYS 18 -9.502 5.679 5.310
99 H GLY 19 H GLY 19 -8.576 6.605 1.637
100 HA2 GLY 19 1HA GLY 19 -9.126 7.617 -0.511
101 HA3 GLY 19 2HA GLY 19 -10.503 8.377 0.272
102 H LYS 20 H LYS 20 -7.477 8.255 1.944
103 HA LYS 20 HA LYS 20 -7.360 11.119 2.062
104 HB2 LYS 20 1HB LYS 20 -5.867 8.854 3.275
105 HB3 LYS 20 2HB LYS 20 -5.033 10.399 3.177
106 HG2 LYS 20 1HG LYS 20 -6.943 11.447 4.361
107 HG3 LYS 20 2HG LYS 20 -7.650 9.841 4.555
108 HD2 LYS 20 1HD LYS 20 -6.541 10.027 6.548
109 HD3 LYS 20 2HD LYS 20 -5.271 9.298 5.563
110 HE2 LYS 20 1HE LYS 20 -4.436 11.609 5.086
111 HE3 LYS 20 2HE LYS 20 -5.604 12.211 6.262
112 HZ1 LYS 20 3HZ LYS 20 -3.070 10.937 6.694
113 HZ2 LYS 20 1HZ LYS 20 -4.313 10.240 7.607
114 HZ3 LYS 20 2HZ LYS 20 -3.989 11.895 7.742
115 H PHE 21 H PHE 21 -4.918 11.993 1.871
116 HA PHE 21 HA PHE 21 -3.754 11.051 -0.647
117 HB2 PHE 21 1HB PHE 21 -5.333 12.945 -1.116
118 HB3 PHE 21 2HB PHE 21 -4.323 13.969 -0.102
119 HD1 PHE 21 HD1 PHE 21 -4.389 11.980 -3.211
120 HD2 PHE 21 HD2 PHE 21 -2.336 14.929 -0.929
121 HE1 PHE 21 HE1 PHE 21 -2.965 12.485 -5.152
122 HE2 PHE 21 HE2 PHE 21 -0.910 15.440 -2.867
123 HZ PHE 21 HZ PHE 21 -1.223 14.218 -4.983
124 H PHE 22 H PHE 22 -1.556 11.617 -0.954
125 HA PHE 22 HA PHE 22 -0.169 12.953 1.228
126 HB2 PHE 22 1HB PHE 22 0.551 10.133 0.402
127 HB3 PHE 22 2HB PHE 22 1.384 11.112 1.605
128 HD1 PHE 22 HD2 PHE 22 -2.056 9.866 0.867
129 HD2 PHE 22 HD1 PHE 22 0.899 10.721 3.809
130 HE1 PHE 22 HE2 PHE 22 -3.542 8.974 2.613
131 HE2 PHE 22 HE1 PHE 22 -0.582 9.829 5.560
132 HZ PHE 22 HZ PHE 22 -2.806 8.955 4.963
133 H LEU 23 H LEU 23 2.278 12.989 0.716
134 HA LEU 23 HA LEU 23 2.636 13.337 -2.188
135 HB2 LEU 23 1HB LEU 23 3.589 15.058 0.086
136 HB3 LEU 23 2HB LEU 23 4.276 15.157 -1.533
137 HG LEU 23 HG LEU 23 2.599 16.918 -1.035
138 HD11 LEU 23 1HD1 LEU 23 1.108 15.775 -3.129
139 HD12 LEU 23 2HD1 LEU 23 2.768 15.214 -3.323
140 HD13 LEU 23 3HD1 LEU 23 2.426 16.942 -3.243
141 HD21 LEU 23 3HD2 LEU 23 0.413 16.489 -0.529
142 HD22 LEU 23 1HD2 LEU 23 1.178 15.109 0.260
143 HD23 LEU 23 2HD2 LEU 23 0.422 14.912 -1.321
144 H GLN 24 H GLN 24 4.074 12.421 0.878
145 HA GLN 24 HA GLN 24 6.481 11.478 -0.506
146 HB2 GLN 24 1HB GLN 24 5.992 11.583 2.471
147 HB3 GLN 24 2HB GLN 24 7.530 11.353 1.649
148 HG2 GLN 24 1HG GLN 24 6.003 13.839 1.102
149 HG3 GLN 24 2HG GLN 24 6.826 13.681 2.653
150 HE21 GLN 24 1HE2 GLN 24 9.140 12.720 2.334
151 HE22 GLN 24 2HE2 GLN 24 10.088 13.521 1.132
152 H ALA 25 H ALA 25 6.453 9.446 -1.179
153 HA ALA 25 HA ALA 25 4.657 7.493 -0.857
154 HB1 ALA 25 3HB ALA 25 6.949 7.504 -2.100
155 HB2 ALA 25 1HB ALA 25 7.518 6.667 -0.655
156 HB3 ALA 25 2HB ALA 25 6.213 5.975 -1.619
157 H SER 26 H SER 26 7.543 7.632 1.244
158 HA SER 26 HA SER 26 7.011 5.680 3.027
159 HB2 SER 26 1HB SER 26 7.952 8.429 3.871
160 HB3 SER 26 2HB SER 26 8.289 6.897 4.677
161 HG SER 26 HG SER 26 9.889 7.925 3.083
162 H ASN 27 H ASN 27 5.913 9.039 3.532
163 HA ASN 27 HA ASN 27 4.320 8.585 5.749
164 HB2 ASN 27 1HB ASN 27 3.950 10.601 3.524
165 HB3 ASN 27 2HB ASN 27 3.091 10.648 5.060
166 HD21 ASN 27 1HD2 ASN 27 4.900 12.597 3.901
167 HD22 ASN 27 2HD2 ASN 27 6.184 12.803 5.038
168 H PHE 28 H PHE 28 3.638 8.039 2.361
169 HA PHE 28 HA PHE 28 0.830 7.601 2.722
170 HB2 PHE 28 1HB PHE 28 1.497 8.311 0.558
171 HB3 PHE 28 2HB PHE 28 2.736 7.064 0.449
172 HD1 PHE 28 HD2 PHE 28 -0.841 7.784 0.194
173 HD2 PHE 28 HD1 PHE 28 2.175 4.799 -0.143
174 HE1 PHE 28 HE2 PHE 28 -2.434 6.310 -0.966
175 HE2 PHE 28 HE1 PHE 28 0.587 3.321 -1.304
176 HZ PHE 28 HZ PHE 28 -1.721 4.075 -1.716
177 H ILE 29 H ILE 29 3.705 5.639 2.829
178 HA ILE 29 HA ILE 29 2.357 3.121 2.643
179 HB ILE 29 HB ILE 29 5.116 3.737 3.707
180 HG12 ILE 29 1HG1 ILE 29 4.240 2.807 0.963
181 HG13 ILE 29 2HG1 ILE 29 4.781 4.435 1.359
182 HG21 ILE 29 1HG2 ILE 29 5.598 1.428 3.525
183 HG22 ILE 29 2HG2 ILE 29 4.065 1.545 4.388
184 HG23 ILE 29 3HG2 ILE 29 4.084 1.105 2.681
185 HD11 ILE 29 3HD1 ILE 29 6.529 2.057 1.851
186 HD12 ILE 29 1HD1 ILE 29 6.444 2.830 0.269
187 HD13 ILE 29 2HD1 ILE 29 6.981 3.752 1.673
188 H GLN 30 H GLN 30 3.802 4.962 5.323
189 HA GLN 30 HA GLN 30 3.082 3.137 7.349
190 HB2 GLN 30 1HB GLN 30 3.381 6.093 7.806
191 HB3 GLN 30 2HB GLN 30 3.789 4.769 8.888
192 HG2 GLN 30 1HG GLN 30 5.511 4.136 7.061
193 HG3 GLN 30 2HG GLN 30 5.278 5.796 6.514
194 HE21 GLN 30 1HE2 GLN 30 7.729 5.252 7.219
195 HE22 GLN 30 2HE2 GLN 30 8.127 5.890 8.774
196 H HIS 31 H HIS 31 1.120 4.931 5.407
197 HA HIS 31 HA HIS 31 -0.911 5.423 7.458
198 HB2 HIS 31 1HB HIS 31 -0.789 7.318 6.123
199 HB3 HIS 31 2HB HIS 31 -0.490 6.391 4.655
200 HD1 HIS 31 HD1 HIS 31 -3.291 7.398 6.969
201 HD2 HIS 31 HD2 HIS 31 -2.737 5.724 3.207
202 HE1 HIS 31 HE1 HIS 31 -5.572 7.349 5.912
203 H ARG 32 H ARG 32 -0.279 3.501 4.590
204 HA ARG 32 HA ARG 32 -2.906 2.428 4.356
205 HB2 ARG 32 1HB ARG 32 -0.307 1.259 3.346
206 HB3 ARG 32 2HB ARG 32 -1.925 0.857 2.785
207 HG2 ARG 32 1HG ARG 32 -1.081 3.694 2.623
208 HG3 ARG 32 2HG ARG 32 -0.359 2.550 1.490
209 HD2 ARG 32 1HD ARG 32 -3.316 2.966 1.914
210 HD3 ARG 32 2HD ARG 32 -2.374 3.625 0.577
211 HE ARG 32 HE ARG 32 -2.109 0.799 0.743
212 HH11 ARG 32 1HH1 ARG 32 -4.257 3.334 -0.295
213 HH12 ARG 32 2HH1 ARG 32 -5.031 2.362 -1.502
214 HH21 ARG 32 1HH2 ARG 32 -3.121 -0.491 -0.843
215 HH22 ARG 32 2HH2 ARG 32 -4.385 0.186 -1.813
216 H ARG 33 H ARG 33 -0.483 1.942 6.613
217 HA ARG 33 HA ARG 33 -0.861 -0.853 7.101
218 HB2 ARG 33 1HB ARG 33 0.120 0.724 9.360
219 HB3 ARG 33 2HB ARG 33 0.865 -0.632 8.526
220 HG2 ARG 33 1HG ARG 33 1.237 1.215 6.658
221 HG3 ARG 33 2HG ARG 33 1.161 2.276 8.066
222 HD2 ARG 33 1HD ARG 33 2.860 -0.153 8.244
223 HD3 ARG 33 2HD ARG 33 3.433 1.179 7.241
224 HE ARG 33 HE ARG 33 2.795 2.427 9.530
225 HH11 ARG 33 1HH1 ARG 33 4.673 -0.429 8.872
226 HH12 ARG 33 2HH1 ARG 33 5.715 -0.218 10.240
227 HH21 ARG 33 1HH2 ARG 33 4.161 2.717 11.334
228 HH22 ARG 33 2HH2 ARG 33 5.422 1.572 11.640
229 H ILE 34 H ILE 34 -2.089 2.136 8.543
230 HA ILE 34 HA ILE 34 -3.381 1.239 10.767
231 HB ILE 34 HB ILE 34 -4.721 3.126 10.707
232 HG12 ILE 34 1HG1 ILE 34 -4.620 3.037 7.684
233 HG13 ILE 34 2HG1 ILE 34 -5.975 2.516 8.679
234 HG21 ILE 34 1HG2 ILE 34 -3.159 4.706 10.455
235 HG22 ILE 34 2HG2 ILE 34 -2.105 3.388 9.947
236 HG23 ILE 34 3HG2 ILE 34 -2.951 4.354 8.739
237 HD11 ILE 34 3HD1 ILE 34 -6.333 4.768 9.443
238 HD12 ILE 34 1HD1 ILE 34 -4.899 5.323 8.580
239 HD13 ILE 34 2HD1 ILE 34 -6.299 4.739 7.680
240 H HIS 35 H HIS 35 -4.481 0.955 7.423
241 HA HIS 35 HA HIS 35 -7.000 -0.221 8.126
242 HB2 HIS 35 1HB HIS 35 -5.635 -0.350 5.436
243 HB3 HIS 35 2HB HIS 35 -7.359 -0.475 5.777
244 HD1 HIS 35 HD1 HIS 35 -8.380 1.847 6.894
245 HD2 HIS 35 HD2 HIS 35 -4.879 2.129 4.674
246 HE1 HIS 35 HE1 HIS 35 -8.175 4.274 6.266
247 H THR 36 H THR 36 -3.792 -1.374 7.622
248 HA THR 36 HA THR 36 -4.771 -4.141 7.876
249 HB THR 36 HB THR 36 -3.978 -3.985 5.632
250 HG1 THR 36 HG1 THR 36 -1.928 -5.099 7.274
251 HG21 THR 36 3HG2 THR 36 -2.431 -1.917 6.471
252 HG22 THR 36 1HG2 THR 36 -2.250 -2.724 4.914
253 HG23 THR 36 2HG2 THR 36 -1.220 -3.183 6.270
254 H GLY 37 H GLY 37 -4.331 -4.620 9.950
255 HA2 GLY 37 1HA GLY 37 -2.080 -5.463 11.014
256 HA3 GLY 37 2HA GLY 37 -1.802 -3.731 11.125
257 H GLU 38 H GLU 38 -2.792 -2.557 12.710
258 HA GLU 38 HA GLU 38 -3.709 -3.953 14.994
259 HB2 GLU 38 1HB GLU 38 -2.583 -1.608 14.780
260 HB3 GLU 38 2HB GLU 38 -4.230 -1.030 14.569
261 HG2 GLU 38 1HG GLU 38 -2.993 -2.337 16.960
262 HG3 GLU 38 2HG GLU 38 -3.799 -0.774 16.843
263 H LYS 39 H LYS 39 -5.534 -5.139 14.649
264 HA LYS 39 HA LYS 39 -7.875 -3.882 13.459
265 HB2 LYS 39 1HB LYS 39 -8.889 -6.119 13.627
266 HB3 LYS 39 2HB LYS 39 -7.346 -6.161 12.784
267 HG2 LYS 39 1HG LYS 39 -6.315 -6.835 14.999
268 HG3 LYS 39 2HG LYS 39 -7.966 -7.085 15.572
269 HD2 LYS 39 1HD LYS 39 -7.399 -9.198 14.833
270 HD3 LYS 39 2HD LYS 39 -8.203 -8.526 13.412
271 HE2 LYS 39 1HE LYS 39 -6.221 -9.585 12.647
272 HE3 LYS 39 2HE LYS 39 -5.931 -7.848 12.578
273 HZ1 LYS 39 3HZ LYS 39 -5.086 -8.538 15.064
274 HZ2 LYS 39 1HZ LYS 39 -4.089 -8.298 13.718
275 HZ3 LYS 39 2HZ LYS 39 -4.598 -9.858 14.126
276 HA PRO 40 HA PRO 40 -9.792 -2.811 17.270
277 HB2 PRO 40 1HB PRO 40 -12.397 -2.901 16.512
278 HB3 PRO 40 2HB PRO 40 -11.295 -1.612 16.012
279 HG2 PRO 40 1HG PRO 40 -12.173 -4.045 14.505
280 HG3 PRO 40 2HG PRO 40 -11.996 -2.376 13.931
281 HD2 PRO 40 1HD PRO 40 -10.132 -4.284 13.461
282 HD3 PRO 40 2HD PRO 40 -9.713 -2.572 13.677
283 H SER 41 H SER 41 -11.808 -3.569 18.615
284 HA SER 41 HA SER 41 -11.351 -5.948 19.788
285 HB2 SER 41 1HB SER 41 -14.118 -4.813 19.315
286 HB3 SER 41 2HB SER 41 -13.664 -5.945 20.589
287 HG SER 41 HG SER 41 -13.445 -4.097 21.630
288 H GLY 42 H GLY 42 -14.079 -5.653 17.507
289 HA2 GLY 42 1HA GLY 42 -13.311 -8.222 16.319
290 HA3 GLY 42 2HA GLY 42 -14.907 -8.091 17.042
291 HA PRO 43 HA PRO 43 -14.712 -5.218 13.117
292 HB2 PRO 43 1HB PRO 43 -12.818 -5.931 11.308
293 HB3 PRO 43 2HB PRO 43 -12.531 -4.736 12.578
294 HG2 PRO 43 1HG PRO 43 -11.773 -7.630 12.496
295 HG3 PRO 43 2HG PRO 43 -10.819 -6.239 13.043
296 HD2 PRO 43 1HD PRO 43 -12.087 -7.902 14.762
297 HD3 PRO 43 2HD PRO 43 -11.860 -6.174 15.098
298 H SER 44 H SER 44 -16.330 -5.778 11.812
299 HA SER 44 HA SER 44 -16.677 -8.569 11.069
300 HB2 SER 44 1HB SER 44 -18.651 -7.535 11.920
301 HB3 SER 44 2HB SER 44 -18.462 -6.142 10.855
302 HG SER 44 HG SER 44 -19.629 -8.555 10.370
303 H SER 45 H SER 45 -15.182 -8.936 9.456
304 HA SER 45 HA SER 45 -15.511 -7.352 6.993
305 HB2 SER 45 1HB SER 45 -13.247 -7.231 7.981
306 HB3 SER 45 2HB SER 45 -13.115 -8.986 7.866
307 HG SER 45 HG SER 45 -13.123 -7.061 5.822
308 H GLY 46 H GLY 46 -16.083 -8.352 5.141
309 HA2 GLY 46 1HA GLY 46 -15.709 -11.137 4.664
310 HA3 GLY 46 2HA GLY 46 -17.368 -10.797 5.131
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -12.449 11.649 -19.983
2 HA2 GLY 1 1HA GLY 1 -11.369 14.029 -18.611
3 HA3 GLY 1 2HA GLY 1 -10.358 12.627 -18.928
4 H SER 2 H SER 2 -10.897 15.632 -19.947
5 HA SER 2 HA SER 2 -9.811 15.070 -22.585
6 HB2 SER 2 1HB SER 2 -12.517 16.222 -22.102
7 HB3 SER 2 2HB SER 2 -11.555 16.914 -23.409
8 HG SER 2 HG SER 2 -11.649 15.060 -24.489
9 H SER 3 H SER 3 -8.300 16.515 -23.140
10 HA SER 3 HA SER 3 -6.832 18.246 -22.944
11 HB2 SER 3 1HB SER 3 -9.438 19.689 -22.422
12 HB3 SER 3 2HB SER 3 -7.898 20.514 -22.660
13 HG SER 3 HG SER 3 -9.502 19.905 -24.531
14 H GLY 4 H GLY 4 -6.872 16.681 -20.700
15 HA2 GLY 4 1HA GLY 4 -7.216 18.267 -18.324
16 HA3 GLY 4 2HA GLY 4 -6.524 16.655 -18.412
17 H SER 5 H SER 5 -4.941 17.390 -16.879
18 HA SER 5 HA SER 5 -2.945 19.246 -17.977
19 HB2 SER 5 1HB SER 5 -2.086 19.371 -15.649
20 HB3 SER 5 2HB SER 5 -3.774 19.867 -15.774
21 HG SER 5 HG SER 5 -3.261 17.182 -15.235
22 H SER 6 H SER 6 -1.877 17.828 -19.361
23 HA SER 6 HA SER 6 -0.990 15.251 -18.672
24 HB2 SER 6 1HB SER 6 0.255 17.149 -20.675
25 HB3 SER 6 2HB SER 6 0.436 15.395 -20.639
26 HG SER 6 HG SER 6 -1.219 15.480 -21.945
27 H GLY 7 H GLY 7 0.720 18.374 -18.646
28 HA2 GLY 7 1HA GLY 7 3.204 17.460 -17.775
29 HA3 GLY 7 2HA GLY 7 2.569 19.072 -17.481
30 H HIS 8 H HIS 8 0.747 19.014 -15.706
31 HA HIS 8 HA HIS 8 1.786 18.743 -13.260
32 HB2 HIS 8 1HB HIS 8 -1.028 18.279 -14.196
33 HB3 HIS 8 2HB HIS 8 -0.619 18.099 -12.492
34 HD2 HIS 8 HD2 HIS 8 -0.780 20.937 -15.201
35 HE1 HIS 8 HE1 HIS 8 -0.570 22.705 -11.350
36 HE2 HIS 8 HE2 HIS 8 -0.956 23.108 -13.806
37 H GLY 9 H GLY 9 -0.096 16.112 -14.776
38 HA2 GLY 9 1HA GLY 9 0.005 13.836 -14.499
39 HA3 GLY 9 2HA GLY 9 1.678 14.069 -14.014
40 H GLU 10 H GLU 10 1.947 12.913 -12.213
41 HA GLU 10 HA GLU 10 0.308 13.584 -9.899
42 HB2 GLU 10 1HB GLU 10 0.725 10.734 -10.820
43 HB3 GLU 10 2HB GLU 10 -0.035 11.219 -9.310
44 HG2 GLU 10 1HG GLU 10 -1.830 12.302 -10.545
45 HG3 GLU 10 2HG GLU 10 -1.063 11.853 -12.067
46 H ARG 11 H ARG 11 1.595 13.977 -8.231
47 HA ARG 11 HA ARG 11 4.179 12.572 -8.082
48 HB2 ARG 11 1HB ARG 11 4.330 15.004 -8.789
49 HB3 ARG 11 2HB ARG 11 3.735 15.418 -7.187
50 HG2 ARG 11 1HG ARG 11 5.663 14.481 -6.146
51 HG3 ARG 11 2HG ARG 11 6.216 13.791 -7.673
52 HD2 ARG 11 1HD ARG 11 6.799 15.877 -8.542
53 HD3 ARG 11 2HD ARG 11 5.808 16.744 -7.368
54 HE ARG 11 HE ARG 11 7.544 16.646 -5.868
55 HH11 ARG 11 1HH1 ARG 11 8.181 14.496 -8.531
56 HH12 ARG 11 2HH1 ARG 11 9.818 14.183 -8.057
57 HH21 ARG 11 1HH2 ARG 11 9.697 16.242 -5.233
58 HH22 ARG 11 2HH2 ARG 11 10.679 15.175 -6.180
59 H GLY 12 H GLY 12 1.880 11.636 -6.826
60 HA2 GLY 12 1HA GLY 12 2.750 11.740 -4.059
61 HA3 GLY 12 2HA GLY 12 1.136 12.369 -4.355
62 H HIS 13 H HIS 13 0.542 10.613 -2.853
63 HA HIS 13 HA HIS 13 -0.099 8.205 -4.375
64 HB2 HIS 13 1HB HIS 13 1.125 8.089 -1.612
65 HB3 HIS 13 2HB HIS 13 0.608 6.716 -2.585
66 HD2 HIS 13 HD2 HIS 13 3.449 9.450 -2.681
67 HE1 HIS 13 HE1 HIS 13 4.648 6.087 -4.972
68 HE2 HIS 13 HE2 HIS 13 5.361 8.289 -3.980
69 H ARG 14 H ARG 14 -2.226 7.985 -4.270
70 HA ARG 14 HA ARG 14 -3.655 9.013 -1.924
71 HB2 ARG 14 1HB ARG 14 -4.425 9.897 -4.044
72 HB3 ARG 14 2HB ARG 14 -4.629 8.273 -4.687
73 HG2 ARG 14 1HG ARG 14 -6.245 8.044 -2.605
74 HG3 ARG 14 2HG ARG 14 -6.330 9.796 -2.798
75 HD2 ARG 14 1HD ARG 14 -8.104 8.626 -4.039
76 HD3 ARG 14 2HD ARG 14 -7.033 9.542 -5.099
77 HE ARG 14 HE ARG 14 -5.995 7.003 -5.040
78 HH11 ARG 14 1HH1 ARG 14 -9.047 8.441 -5.900
79 HH12 ARG 14 2HH1 ARG 14 -9.427 7.238 -7.088
80 HH21 ARG 14 1HH2 ARG 14 -6.485 5.413 -6.601
81 HH22 ARG 14 2HH2 ARG 14 -7.970 5.516 -7.485
82 H CYS 15 H CYS 15 -4.955 7.746 -0.669
83 HA CYS 15 HA CYS 15 -4.497 4.892 -0.822
84 HB2 CYS 15 1HB CYS 15 -4.376 5.930 1.358
85 HB3 CYS 15 2HB CYS 15 -5.994 6.600 1.174
86 H SER 16 H SER 16 -6.254 3.334 -0.677
87 HA SER 16 HA SER 16 -8.584 4.209 -2.247
88 HB2 SER 16 1HB SER 16 -7.339 1.463 -1.965
89 HB3 SER 16 2HB SER 16 -8.800 1.813 -2.889
90 HG SER 16 HG SER 16 -6.361 3.156 -3.377
91 H ASP 17 H ASP 17 -7.559 2.566 0.659
92 HA ASP 17 HA ASP 17 -9.985 1.415 1.441
93 HB2 ASP 17 1HB ASP 17 -7.544 1.313 2.470
94 HB3 ASP 17 2HB ASP 17 -8.179 2.584 3.511
95 H CYS 18 H CYS 18 -8.603 4.566 2.376
96 HA CYS 18 HA CYS 18 -11.274 5.397 3.274
97 HB2 CYS 18 1HB CYS 18 -10.033 7.267 4.404
98 HB3 CYS 18 2HB CYS 18 -9.628 5.659 4.997
99 H GLY 19 H GLY 19 -8.505 6.488 1.334
100 HA2 GLY 19 1HA GLY 19 -8.889 7.481 -0.833
101 HA3 GLY 19 2HA GLY 19 -10.380 8.165 -0.203
102 H LYS 20 H LYS 20 -7.033 8.176 1.011
103 HA LYS 20 HA LYS 20 -7.247 11.093 1.295
104 HB2 LYS 20 1HB LYS 20 -5.804 8.963 2.783
105 HB3 LYS 20 2HB LYS 20 -5.012 10.529 2.663
106 HG2 LYS 20 1HG LYS 20 -6.857 11.618 3.727
107 HG3 LYS 20 2HG LYS 20 -7.817 10.137 3.683
108 HD2 LYS 20 1HD LYS 20 -6.641 9.164 5.397
109 HD3 LYS 20 2HD LYS 20 -5.172 10.078 5.052
110 HE2 LYS 20 1HE LYS 20 -5.891 11.929 6.213
111 HE3 LYS 20 2HE LYS 20 -7.596 11.536 5.993
112 HZ1 LYS 20 3HZ LYS 20 -5.685 10.228 7.848
113 HZ2 LYS 20 1HZ LYS 20 -7.247 9.651 7.545
114 HZ3 LYS 20 2HZ LYS 20 -7.029 11.169 8.260
115 H PHE 21 H PHE 21 -4.782 12.001 1.313
116 HA PHE 21 HA PHE 21 -3.424 10.999 -1.086
117 HB2 PHE 21 1HB PHE 21 -4.928 12.917 -1.685
118 HB3 PHE 21 2HB PHE 21 -3.980 13.930 -0.601
119 HD1 PHE 21 HD1 PHE 21 -3.849 11.928 -3.699
120 HD2 PHE 21 HD2 PHE 21 -1.913 14.842 -1.275
121 HE1 PHE 21 HE1 PHE 21 -2.271 12.396 -5.528
122 HE2 PHE 21 HE2 PHE 21 -0.333 15.315 -3.100
123 HZ PHE 21 HZ PHE 21 -0.511 14.092 -5.230
124 H PHE 22 H PHE 22 -1.198 11.510 -1.220
125 HA PHE 22 HA PHE 22 0.035 12.826 1.068
126 HB2 PHE 22 1HB PHE 22 0.769 10.004 0.262
127 HB3 PHE 22 2HB PHE 22 1.548 10.960 1.519
128 HD1 PHE 22 HD2 PHE 22 -1.855 9.760 0.569
129 HD2 PHE 22 HD1 PHE 22 0.918 10.587 3.691
130 HE1 PHE 22 HE2 PHE 22 -3.456 8.884 2.219
131 HE2 PHE 22 HE1 PHE 22 -0.679 9.712 5.345
132 HZ PHE 22 HZ PHE 22 -2.870 8.860 4.610
133 H LEU 23 H LEU 23 2.528 12.802 0.736
134 HA LEU 23 HA LEU 23 3.100 13.194 -2.127
135 HB2 LEU 23 1HB LEU 23 3.878 14.886 0.232
136 HB3 LEU 23 2HB LEU 23 4.714 14.984 -1.316
137 HG LEU 23 HG LEU 23 3.042 16.771 -0.995
138 HD11 LEU 23 1HD1 LEU 23 3.669 15.977 -3.242
139 HD12 LEU 23 2HD1 LEU 23 2.012 16.575 -3.171
140 HD13 LEU 23 3HD1 LEU 23 2.322 14.839 -3.195
141 HD21 LEU 23 3HD2 LEU 23 0.815 14.863 -1.419
142 HD22 LEU 23 1HD2 LEU 23 0.842 16.410 -0.573
143 HD23 LEU 23 2HD2 LEU 23 1.491 14.968 0.207
144 H GLN 24 H GLN 24 4.391 12.377 1.055
145 HA GLN 24 HA GLN 24 6.852 11.376 -0.165
146 HB2 GLN 24 1HB GLN 24 6.134 11.479 2.767
147 HB3 GLN 24 2HB GLN 24 7.728 11.219 2.071
148 HG2 GLN 24 1HG GLN 24 7.224 13.580 0.982
149 HG3 GLN 24 2HG GLN 24 6.181 13.722 2.395
150 HE21 GLN 24 1HE2 GLN 24 8.069 15.501 2.342
151 HE22 GLN 24 2HE2 GLN 24 9.375 15.123 3.408
152 H ALA 25 H ALA 25 6.826 9.358 -0.883
153 HA ALA 25 HA ALA 25 5.017 7.408 -0.696
154 HB1 ALA 25 3HB ALA 25 6.670 5.818 -1.218
155 HB2 ALA 25 1HB ALA 25 7.271 7.344 -1.868
156 HB3 ALA 25 2HB ALA 25 7.920 6.712 -0.354
157 H SER 26 H SER 26 7.729 7.571 1.624
158 HA SER 26 HA SER 26 7.026 5.581 3.342
159 HB2 SER 26 1HB SER 26 8.038 8.279 4.263
160 HB3 SER 26 2HB SER 26 8.269 6.725 5.064
161 HG SER 26 HG SER 26 9.525 6.071 3.281
162 H ASN 27 H ASN 27 5.903 8.955 3.552
163 HA ASN 27 HA ASN 27 4.246 8.664 5.771
164 HB2 ASN 27 1HB ASN 27 3.863 10.506 3.400
165 HB3 ASN 27 2HB ASN 27 3.104 10.692 4.978
166 HD21 ASN 27 1HD2 ASN 27 4.049 12.747 5.168
167 HD22 ASN 27 2HD2 ASN 27 5.718 12.934 5.574
168 H PHE 28 H PHE 28 3.710 7.864 2.410
169 HA PHE 28 HA PHE 28 0.887 7.457 2.676
170 HB2 PHE 28 1HB PHE 28 1.634 7.988 0.494
171 HB3 PHE 28 2HB PHE 28 2.897 6.762 0.542
172 HD1 PHE 28 HD2 PHE 28 -0.728 7.322 0.230
173 HD2 PHE 28 HD1 PHE 28 2.455 4.510 -0.056
174 HE1 PHE 28 HE2 PHE 28 -2.239 5.730 -0.881
175 HE2 PHE 28 HE1 PHE 28 0.948 2.913 -1.168
176 HZ PHE 28 HZ PHE 28 -1.402 3.522 -1.580
177 H ILE 29 H ILE 29 3.755 5.450 2.897
178 HA ILE 29 HA ILE 29 2.400 2.950 2.902
179 HB ILE 29 HB ILE 29 5.104 3.597 4.081
180 HG12 ILE 29 1HG1 ILE 29 4.392 2.626 1.304
181 HG13 ILE 29 2HG1 ILE 29 4.921 4.257 1.705
182 HG21 ILE 29 1HG2 ILE 29 3.671 1.321 4.402
183 HG22 ILE 29 2HG2 ILE 29 4.568 0.948 2.931
184 HG23 ILE 29 3HG2 ILE 29 5.433 1.396 4.401
185 HD11 ILE 29 3HD1 ILE 29 6.589 2.453 0.780
186 HD12 ILE 29 1HD1 ILE 29 7.088 3.627 1.997
187 HD13 ILE 29 2HD1 ILE 29 6.664 1.984 2.478
188 H GLN 30 H GLN 30 3.725 4.985 5.502
189 HA GLN 30 HA GLN 30 2.935 3.310 7.626
190 HB2 GLN 30 1HB GLN 30 3.233 6.307 7.782
191 HB3 GLN 30 2HB GLN 30 3.460 5.134 9.072
192 HG2 GLN 30 1HG GLN 30 5.182 4.854 6.686
193 HG3 GLN 30 2HG GLN 30 5.482 6.234 7.740
194 HE21 GLN 30 1HE2 GLN 30 6.053 2.974 7.217
195 HE22 GLN 30 2HE2 GLN 30 6.750 2.584 8.748
196 H HIS 31 H HIS 31 1.051 4.984 5.479
197 HA HIS 31 HA HIS 31 -1.080 5.578 7.390
198 HB2 HIS 31 1HB HIS 31 -0.953 7.353 5.912
199 HB3 HIS 31 2HB HIS 31 -0.535 6.323 4.546
200 HD1 HIS 31 HD1 HIS 31 -3.506 7.413 6.595
201 HD2 HIS 31 HD2 HIS 31 -2.664 5.471 3.020
202 HE1 HIS 31 HE1 HIS 31 -5.713 7.204 5.408
203 H ARG 32 H ARG 32 -0.317 3.442 4.708
204 HA ARG 32 HA ARG 32 -2.912 2.304 4.469
205 HB2 ARG 32 1HB ARG 32 -0.234 1.158 3.655
206 HB3 ARG 32 2HB ARG 32 -1.806 0.577 3.122
207 HG2 ARG 32 1HG ARG 32 -1.000 3.414 2.638
208 HG3 ARG 32 2HG ARG 32 -0.434 2.123 1.577
209 HD2 ARG 32 1HD ARG 32 -3.298 2.845 2.182
210 HD3 ARG 32 2HD ARG 32 -2.442 3.105 0.663
211 HE ARG 32 HE ARG 32 -3.647 0.669 1.571
212 HH11 ARG 32 1HH1 ARG 32 -1.139 2.023 -0.429
213 HH12 ARG 32 2HH1 ARG 32 -1.059 0.651 -1.483
214 HH21 ARG 32 1HH2 ARG 32 -3.550 -1.143 0.189
215 HH22 ARG 32 2HH2 ARG 32 -2.431 -1.149 -1.131
216 H ARG 33 H ARG 33 -0.548 2.030 6.837
217 HA ARG 33 HA ARG 33 -0.965 -0.713 7.556
218 HB2 ARG 33 1HB ARG 33 0.007 1.036 9.686
219 HB3 ARG 33 2HB ARG 33 0.749 -0.391 8.975
220 HG2 ARG 33 1HG ARG 33 1.163 1.298 6.969
221 HG3 ARG 33 2HG ARG 33 1.082 2.469 8.287
222 HD2 ARG 33 1HD ARG 33 2.760 0.037 8.645
223 HD3 ARG 33 2HD ARG 33 3.356 1.321 7.594
224 HE ARG 33 HE ARG 33 2.635 2.639 9.847
225 HH11 ARG 33 1HH1 ARG 33 4.665 -0.119 9.223
226 HH12 ARG 33 2HH1 ARG 33 5.713 0.184 10.568
227 HH21 ARG 33 1HH2 ARG 33 4.008 3.049 11.621
228 HH22 ARG 33 2HH2 ARG 33 5.338 1.986 11.933
229 H ILE 34 H ILE 34 -2.217 2.402 8.646
230 HA ILE 34 HA ILE 34 -3.536 1.744 10.944
231 HB ILE 34 HB ILE 34 -4.869 3.616 10.669
232 HG12 ILE 34 1HG1 ILE 34 -4.708 3.251 7.669
233 HG13 ILE 34 2HG1 ILE 34 -6.073 2.780 8.676
234 HG21 ILE 34 1HG2 ILE 34 -3.292 5.154 10.291
235 HG22 ILE 34 2HG2 ILE 34 -2.238 3.791 9.920
236 HG23 ILE 34 3HG2 ILE 34 -3.068 4.642 8.618
237 HD11 ILE 34 3HD1 ILE 34 -6.484 4.883 7.529
238 HD12 ILE 34 1HD1 ILE 34 -6.441 5.107 9.278
239 HD13 ILE 34 2HD1 ILE 34 -5.058 5.586 8.293
240 H HIS 35 H HIS 35 -4.593 1.131 7.629
241 HA HIS 35 HA HIS 35 -7.140 0.078 8.362
242 HB2 HIS 35 1HB HIS 35 -5.620 -0.438 5.803
243 HB3 HIS 35 2HB HIS 35 -7.359 -0.557 6.053
244 HD1 HIS 35 HD1 HIS 35 -8.501 1.863 6.737
245 HD2 HIS 35 HD2 HIS 35 -4.840 1.939 4.775
246 HE1 HIS 35 HE1 HIS 35 -8.291 4.185 5.795
247 H THR 36 H THR 36 -3.944 -1.208 8.194
248 HA THR 36 HA THR 36 -4.700 -3.963 7.977
249 HB THR 36 HB THR 36 -2.420 -4.499 8.236
250 HG1 THR 36 HG1 THR 36 -0.934 -3.062 9.188
251 HG21 THR 36 3HG2 THR 36 -2.840 -1.881 6.840
252 HG22 THR 36 1HG2 THR 36 -2.567 -3.479 6.149
253 HG23 THR 36 2HG2 THR 36 -1.236 -2.608 6.912
254 H GLY 37 H GLY 37 -5.774 -4.975 9.544
255 HA2 GLY 37 1HA GLY 37 -4.762 -4.770 12.284
256 HA3 GLY 37 2HA GLY 37 -6.455 -4.387 12.011
257 H GLU 38 H GLU 38 -5.172 -6.546 13.584
258 HA GLU 38 HA GLU 38 -5.668 -8.996 12.179
259 HB2 GLU 38 1HB GLU 38 -4.063 -8.542 14.179
260 HB3 GLU 38 2HB GLU 38 -5.496 -8.788 15.167
261 HG2 GLU 38 1HG GLU 38 -5.784 -11.012 14.207
262 HG3 GLU 38 2HG GLU 38 -4.351 -10.767 13.209
263 H LYS 39 H LYS 39 -7.515 -10.086 11.996
264 HA LYS 39 HA LYS 39 -9.987 -9.016 12.711
265 HB2 LYS 39 1HB LYS 39 -10.952 -10.994 11.879
266 HB3 LYS 39 2HB LYS 39 -9.462 -10.805 10.962
267 HG2 LYS 39 1HG LYS 39 -9.324 -12.430 13.431
268 HG3 LYS 39 2HG LYS 39 -10.200 -13.112 12.058
269 HD2 LYS 39 1HD LYS 39 -7.444 -11.954 11.759
270 HD3 LYS 39 2HD LYS 39 -7.698 -13.629 12.253
271 HE2 LYS 39 1HE LYS 39 -9.121 -13.900 10.192
272 HE3 LYS 39 2HE LYS 39 -8.553 -12.311 9.684
273 HZ1 LYS 39 3HZ LYS 39 -6.525 -14.266 10.444
274 HZ2 LYS 39 1HZ LYS 39 -6.493 -13.089 9.228
275 HZ3 LYS 39 2HZ LYS 39 -7.337 -14.535 8.984
276 HA PRO 40 HA PRO 40 -10.540 -10.047 16.948
277 HB2 PRO 40 1HB PRO 40 -13.246 -10.252 17.037
278 HB3 PRO 40 2HB PRO 40 -12.404 -8.705 16.888
279 HG2 PRO 40 1HG PRO 40 -13.696 -10.369 14.762
280 HG3 PRO 40 2HG PRO 40 -13.756 -8.613 14.999
281 HD2 PRO 40 1HD PRO 40 -12.128 -9.782 13.179
282 HD3 PRO 40 2HD PRO 40 -11.693 -8.284 14.026
283 H SER 41 H SER 41 -11.889 -11.651 18.336
284 HA SER 41 HA SER 41 -11.476 -14.304 17.178
285 HB2 SER 41 1HB SER 41 -11.503 -15.130 19.458
286 HB3 SER 41 2HB SER 41 -10.425 -13.737 19.369
287 HG SER 41 HG SER 41 -12.092 -12.468 20.246
288 H GLY 42 H GLY 42 -13.120 -15.511 16.507
289 HA2 GLY 42 1HA GLY 42 -15.318 -16.461 17.305
290 HA3 GLY 42 2HA GLY 42 -15.832 -14.785 17.424
291 HA PRO 43 HA PRO 43 -17.203 -14.784 13.266
292 HB2 PRO 43 1HB PRO 43 -16.406 -12.359 12.340
293 HB3 PRO 43 2HB PRO 43 -17.716 -12.557 13.511
294 HG2 PRO 43 1HG PRO 43 -14.853 -11.815 13.978
295 HG3 PRO 43 2HG PRO 43 -16.319 -11.129 14.702
296 HD2 PRO 43 1HD PRO 43 -14.765 -12.933 15.991
297 HD3 PRO 43 2HD PRO 43 -16.522 -12.847 16.225
298 H SER 44 H SER 44 -16.081 -16.358 12.168
299 HA SER 44 HA SER 44 -13.488 -15.612 11.000
300 HB2 SER 44 1HB SER 44 -13.446 -17.678 12.303
301 HB3 SER 44 2HB SER 44 -14.765 -18.338 11.338
302 HG SER 44 HG SER 44 -13.078 -19.137 10.298
303 H SER 45 H SER 45 -13.083 -15.980 8.784
304 HA SER 45 HA SER 45 -15.379 -16.575 7.079
305 HB2 SER 45 1HB SER 45 -13.965 -13.952 7.241
306 HB3 SER 45 2HB SER 45 -14.474 -14.521 5.651
307 HG SER 45 HG SER 45 -16.332 -14.663 7.723
308 H GLY 46 H GLY 46 -14.832 -17.254 4.971
309 HA2 GLY 46 1HA GLY 46 -12.891 -17.372 3.343
310 HA3 GLY 46 2HA GLY 46 -11.998 -18.037 4.702
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -14.150 31.884 -26.655
2 HA2 GLY 1 1HA GLY 1 -13.616 29.386 -26.258
3 HA3 GLY 1 2HA GLY 1 -13.552 29.344 -28.014
4 H SER 2 H SER 2 -11.550 29.066 -25.670
5 HA SER 2 HA SER 2 -9.458 30.664 -26.969
6 HB2 SER 2 1HB SER 2 -8.482 31.208 -24.768
7 HB3 SER 2 2HB SER 2 -10.106 31.874 -24.938
8 HG SER 2 HG SER 2 -10.702 30.714 -23.301
9 H SER 3 H SER 3 -7.244 29.899 -26.356
10 HA SER 3 HA SER 3 -7.054 27.102 -26.789
11 HB2 SER 3 1HB SER 3 -5.375 28.761 -27.592
12 HB3 SER 3 2HB SER 3 -4.864 29.004 -25.922
13 HG SER 3 HG SER 3 -4.077 26.960 -25.856
14 H GLY 4 H GLY 4 -6.027 29.103 -24.015
15 HA2 GLY 4 1HA GLY 4 -5.917 28.614 -21.772
16 HA3 GLY 4 2HA GLY 4 -7.016 27.279 -22.086
17 H SER 5 H SER 5 -4.520 27.578 -20.414
18 HA SER 5 HA SER 5 -2.601 25.824 -21.655
19 HB2 SER 5 1HB SER 5 -2.819 27.058 -18.910
20 HB3 SER 5 2HB SER 5 -1.547 25.909 -19.323
21 HG SER 5 HG SER 5 -0.881 28.072 -19.648
22 H SER 6 H SER 6 -1.883 23.810 -20.602
23 HA SER 6 HA SER 6 -4.131 22.364 -19.360
24 HB2 SER 6 1HB SER 6 -3.596 20.402 -20.621
25 HB3 SER 6 2HB SER 6 -3.666 21.739 -21.768
26 HG SER 6 HG SER 6 -1.481 21.738 -21.917
27 H GLY 7 H GLY 7 -3.482 20.472 -18.067
28 HA2 GLY 7 1HA GLY 7 -1.302 19.422 -17.171
29 HA3 GLY 7 2HA GLY 7 -0.984 21.062 -16.627
30 H HIS 8 H HIS 8 -3.458 18.513 -16.423
31 HA HIS 8 HA HIS 8 -4.055 19.446 -13.693
32 HB2 HIS 8 1HB HIS 8 -5.772 18.127 -15.781
33 HB3 HIS 8 2HB HIS 8 -6.213 18.072 -14.077
34 HD2 HIS 8 HD2 HIS 8 -8.261 19.689 -15.876
35 HE1 HIS 8 HE1 HIS 8 -6.286 23.199 -14.542
36 HE2 HIS 8 HE2 HIS 8 -8.400 22.248 -15.527
37 H GLY 9 H GLY 9 -1.828 17.836 -14.097
38 HA2 GLY 9 1HA GLY 9 -2.634 15.106 -13.438
39 HA3 GLY 9 2HA GLY 9 -1.000 15.652 -13.781
40 H GLU 10 H GLU 10 -0.802 14.151 -11.801
41 HA GLU 10 HA GLU 10 -0.459 15.873 -9.496
42 HB2 GLU 10 1HB GLU 10 -1.713 14.542 -7.957
43 HB3 GLU 10 2HB GLU 10 -2.777 14.934 -9.300
44 HG2 GLU 10 1HG GLU 10 -1.268 12.347 -9.175
45 HG3 GLU 10 2HG GLU 10 -2.839 12.557 -8.403
46 H ARG 11 H ARG 11 0.862 14.887 -7.821
47 HA ARG 11 HA ARG 11 2.309 12.476 -8.644
48 HB2 ARG 11 1HB ARG 11 3.475 14.675 -9.346
49 HB3 ARG 11 2HB ARG 11 3.812 14.875 -7.631
50 HG2 ARG 11 1HG ARG 11 4.537 12.309 -8.959
51 HG3 ARG 11 2HG ARG 11 5.548 13.733 -9.212
52 HD2 ARG 11 1HD ARG 11 6.069 13.905 -6.931
53 HD3 ARG 11 2HD ARG 11 4.744 12.840 -6.463
54 HE ARG 11 HE ARG 11 6.563 11.441 -8.102
55 HH11 ARG 11 1HH1 ARG 11 6.262 12.768 -4.897
56 HH12 ARG 11 2HH1 ARG 11 7.349 11.625 -4.180
57 HH21 ARG 11 1HH2 ARG 11 7.996 9.931 -7.170
58 HH22 ARG 11 2HH2 ARG 11 8.336 10.012 -5.474
59 H GLY 12 H GLY 12 2.450 11.087 -7.012
60 HA2 GLY 12 1HA GLY 12 3.392 11.337 -4.522
61 HA3 GLY 12 2HA GLY 12 1.764 11.969 -4.328
62 H HIS 13 H HIS 13 0.874 10.397 -3.087
63 HA HIS 13 HA HIS 13 0.381 7.844 -4.396
64 HB2 HIS 13 1HB HIS 13 1.523 8.004 -1.599
65 HB3 HIS 13 2HB HIS 13 1.016 6.535 -2.427
66 HD2 HIS 13 HD2 HIS 13 4.038 8.958 -2.290
67 HE1 HIS 13 HE1 HIS 13 4.971 5.841 -5.012
68 HE2 HIS 13 HE2 HIS 13 5.872 7.782 -3.684
69 H ARG 14 H ARG 14 -1.751 7.638 -4.377
70 HA ARG 14 HA ARG 14 -3.293 8.832 -2.193
71 HB2 ARG 14 1HB ARG 14 -3.986 9.469 -4.429
72 HB3 ARG 14 2HB ARG 14 -4.142 7.780 -4.896
73 HG2 ARG 14 1HG ARG 14 -5.842 7.728 -2.888
74 HG3 ARG 14 2HG ARG 14 -5.926 9.460 -3.217
75 HD2 ARG 14 1HD ARG 14 -7.651 8.377 -4.472
76 HD3 ARG 14 2HD ARG 14 -6.406 8.916 -5.599
77 HE ARG 14 HE ARG 14 -6.071 6.199 -4.726
78 HH11 ARG 14 1HH1 ARG 14 -7.641 8.293 -7.022
79 HH12 ARG 14 2HH1 ARG 14 -7.846 7.051 -8.212
80 HH21 ARG 14 1HH2 ARG 14 -6.335 4.555 -6.285
81 HH22 ARG 14 2HH2 ARG 14 -7.104 4.925 -7.791
82 H CYS 15 H CYS 15 -4.655 7.670 -0.890
83 HA CYS 15 HA CYS 15 -4.116 4.830 -0.709
84 HB2 CYS 15 1HB CYS 15 -4.128 6.053 1.359
85 HB3 CYS 15 2HB CYS 15 -5.720 6.720 1.017
86 H SER 16 H SER 16 -5.808 3.231 -0.543
87 HA SER 16 HA SER 16 -8.091 3.880 -2.280
88 HB2 SER 16 1HB SER 16 -6.480 2.093 -3.031
89 HB3 SER 16 2HB SER 16 -6.996 1.132 -1.646
90 HG SER 16 HG SER 16 -8.686 2.096 -3.714
91 H ASP 17 H ASP 17 -7.161 2.550 0.811
92 HA ASP 17 HA ASP 17 -9.576 1.381 1.588
93 HB2 ASP 17 1HB ASP 17 -7.333 2.648 3.147
94 HB3 ASP 17 2HB ASP 17 -8.745 1.970 3.954
95 H CYS 18 H CYS 18 -8.381 4.677 2.227
96 HA CYS 18 HA CYS 18 -11.138 5.468 2.883
97 HB2 CYS 18 1HB CYS 18 -10.048 7.474 3.937
98 HB3 CYS 18 2HB CYS 18 -9.652 5.939 4.702
99 H GLY 19 H GLY 19 -8.263 6.473 1.060
100 HA2 GLY 19 1HA GLY 19 -8.575 7.241 -1.228
101 HA3 GLY 19 2HA GLY 19 -10.058 8.021 -0.699
102 H LYS 20 H LYS 20 -7.013 8.107 1.053
103 HA LYS 20 HA LYS 20 -7.064 11.009 0.958
104 HB2 LYS 20 1HB LYS 20 -5.678 8.947 2.591
105 HB3 LYS 20 2HB LYS 20 -4.870 10.498 2.405
106 HG2 LYS 20 1HG LYS 20 -6.904 11.617 3.248
107 HG3 LYS 20 2HG LYS 20 -7.628 10.030 3.520
108 HD2 LYS 20 1HD LYS 20 -6.771 10.411 5.601
109 HD3 LYS 20 2HD LYS 20 -5.371 9.640 4.853
110 HE2 LYS 20 1HE LYS 20 -5.833 12.614 5.065
111 HE3 LYS 20 2HE LYS 20 -4.764 11.670 6.101
112 HZ1 LYS 20 3HZ LYS 20 -3.312 12.470 4.539
113 HZ2 LYS 20 1HZ LYS 20 -4.436 12.405 3.276
114 HZ3 LYS 20 2HZ LYS 20 -3.717 10.983 3.842
115 H PHE 21 H PHE 21 -4.588 11.885 0.977
116 HA PHE 21 HA PHE 21 -3.190 10.728 -1.327
117 HB2 PHE 21 1HB PHE 21 -4.662 12.621 -2.073
118 HB3 PHE 21 2HB PHE 21 -3.722 13.689 -1.036
119 HD1 PHE 21 HD1 PHE 21 -3.606 11.553 -4.032
120 HD2 PHE 21 HD2 PHE 21 -1.584 14.478 -1.693
121 HE1 PHE 21 HE1 PHE 21 -1.988 11.887 -5.855
122 HE2 PHE 21 HE2 PHE 21 0.037 14.818 -3.513
123 HZ PHE 21 HZ PHE 21 -0.165 13.522 -5.598
124 H PHE 22 H PHE 22 -0.957 11.233 -1.451
125 HA PHE 22 HA PHE 22 0.245 12.685 0.764
126 HB2 PHE 22 1HB PHE 22 0.931 9.789 0.218
127 HB3 PHE 22 2HB PHE 22 1.711 10.832 1.403
128 HD1 PHE 22 HD2 PHE 22 -1.701 9.626 0.495
129 HD2 PHE 22 HD1 PHE 22 1.031 10.673 3.586
130 HE1 PHE 22 HE2 PHE 22 -3.352 8.936 2.183
131 HE2 PHE 22 HE1 PHE 22 -0.616 9.983 5.279
132 HZ PHE 22 HZ PHE 22 -2.811 9.115 4.579
133 H LEU 23 H LEU 23 2.714 12.679 0.501
134 HA LEU 23 HA LEU 23 3.372 12.799 -2.369
135 HB2 LEU 23 1HB LEU 23 4.170 14.632 -0.123
136 HB3 LEU 23 2HB LEU 23 4.998 14.612 -1.678
137 HG LEU 23 HG LEU 23 3.312 16.440 -1.390
138 HD11 LEU 23 1HD1 LEU 23 2.083 15.696 -3.623
139 HD12 LEU 23 2HD1 LEU 23 3.353 14.473 -3.606
140 HD13 LEU 23 3HD1 LEU 23 3.778 16.184 -3.597
141 HD21 LEU 23 3HD2 LEU 23 1.711 14.756 -0.205
142 HD22 LEU 23 1HD2 LEU 23 1.187 14.394 -1.850
143 HD23 LEU 23 2HD2 LEU 23 1.049 16.037 -1.223
144 H GLN 24 H GLN 24 4.509 12.091 0.881
145 HA GLN 24 HA GLN 24 6.984 10.961 -0.211
146 HB2 GLN 24 1HB GLN 24 6.211 11.406 2.677
147 HB3 GLN 24 2HB GLN 24 7.793 10.918 2.083
148 HG2 GLN 24 1HG GLN 24 6.638 13.455 1.064
149 HG3 GLN 24 2HG GLN 24 7.249 13.417 2.717
150 HE21 GLN 24 1HE2 GLN 24 8.036 13.729 -0.542
151 HE22 GLN 24 2HE2 GLN 24 9.756 13.673 -0.392
152 H ALA 25 H ALA 25 7.061 8.863 -0.618
153 HA ALA 25 HA ALA 25 5.134 6.995 -0.336
154 HB1 ALA 25 3HB ALA 25 7.964 6.946 -0.806
155 HB2 ALA 25 1HB ALA 25 7.486 5.559 0.174
156 HB3 ALA 25 2HB ALA 25 6.715 5.845 -1.386
157 H SER 26 H SER 26 7.857 7.159 1.968
158 HA SER 26 HA SER 26 7.087 5.407 3.856
159 HB2 SER 26 1HB SER 26 8.155 6.900 5.561
160 HB3 SER 26 2HB SER 26 9.131 6.671 4.110
161 HG SER 26 HG SER 26 8.490 8.937 5.136
162 H ASN 27 H ASN 27 6.024 8.811 3.836
163 HA ASN 27 HA ASN 27 4.275 8.640 6.004
164 HB2 ASN 27 1HB ASN 27 4.104 10.432 3.570
165 HB3 ASN 27 2HB ASN 27 3.215 10.675 5.071
166 HD21 ASN 27 1HD2 ASN 27 4.071 12.465 5.891
167 HD22 ASN 27 2HD2 ASN 27 5.751 12.713 6.210
168 H PHE 28 H PHE 28 3.836 7.809 2.629
169 HA PHE 28 HA PHE 28 0.996 7.484 2.805
170 HB2 PHE 28 1HB PHE 28 1.820 7.966 0.643
171 HB3 PHE 28 2HB PHE 28 3.058 6.718 0.748
172 HD1 PHE 28 HD2 PHE 28 -0.520 7.366 0.237
173 HD2 PHE 28 HD1 PHE 28 2.571 4.440 0.230
174 HE1 PHE 28 HE2 PHE 28 -2.021 5.788 -0.906
175 HE2 PHE 28 HE1 PHE 28 1.075 2.857 -0.913
176 HZ PHE 28 HZ PHE 28 -1.225 3.529 -1.482
177 H ILE 29 H ILE 29 3.792 5.412 3.185
178 HA ILE 29 HA ILE 29 2.368 2.946 3.155
179 HB ILE 29 HB ILE 29 5.047 3.538 4.419
180 HG12 ILE 29 1HG1 ILE 29 4.442 2.475 1.652
181 HG13 ILE 29 2HG1 ILE 29 4.899 4.139 1.998
182 HG21 ILE 29 1HG2 ILE 29 3.560 1.022 3.791
183 HG22 ILE 29 2HG2 ILE 29 5.323 1.033 3.794
184 HG23 ILE 29 3HG2 ILE 29 4.437 1.470 5.254
185 HD11 ILE 29 3HD1 ILE 29 6.592 2.035 1.401
186 HD12 ILE 29 1HD1 ILE 29 7.050 3.616 2.033
187 HD13 ILE 29 2HD1 ILE 29 6.777 2.270 3.139
188 H GLN 30 H GLN 30 3.677 4.957 5.785
189 HA GLN 30 HA GLN 30 2.746 3.337 7.892
190 HB2 GLN 30 1HB GLN 30 3.157 6.322 8.029
191 HB3 GLN 30 2HB GLN 30 3.285 5.157 9.341
192 HG2 GLN 30 1HG GLN 30 5.085 4.767 7.031
193 HG3 GLN 30 2HG GLN 30 5.399 6.158 8.067
194 HE21 GLN 30 1HE2 GLN 30 6.104 5.843 10.150
195 HE22 GLN 30 2HE2 GLN 30 6.633 4.308 10.741
196 H HIS 31 H HIS 31 1.003 5.055 5.664
197 HA HIS 31 HA HIS 31 -1.171 5.743 7.494
198 HB2 HIS 31 1HB HIS 31 -0.892 7.506 6.008
199 HB3 HIS 31 2HB HIS 31 -0.515 6.441 4.657
200 HD1 HIS 31 HD1 HIS 31 -3.445 7.726 6.650
201 HD2 HIS 31 HD2 HIS 31 -2.671 5.692 3.111
202 HE1 HIS 31 HE1 HIS 31 -5.644 7.632 5.434
203 H ARG 32 H ARG 32 -0.379 3.556 4.868
204 HA ARG 32 HA ARG 32 -3.008 2.522 4.524
205 HB2 ARG 32 1HB ARG 32 -0.360 1.238 3.829
206 HB3 ARG 32 2HB ARG 32 -1.936 0.768 3.207
207 HG2 ARG 32 1HG ARG 32 -0.953 3.557 2.802
208 HG3 ARG 32 2HG ARG 32 -0.362 2.250 1.773
209 HD2 ARG 32 1HD ARG 32 -3.258 2.977 2.200
210 HD3 ARG 32 2HD ARG 32 -2.293 3.406 0.788
211 HE ARG 32 HE ARG 32 -2.384 1.190 0.070
212 HH11 ARG 32 1HH1 ARG 32 -3.949 1.599 3.153
213 HH12 ARG 32 2HH1 ARG 32 -4.753 0.065 3.095
214 HH21 ARG 32 1HH2 ARG 32 -3.436 -0.831 -0.018
215 HH22 ARG 32 2HH2 ARG 32 -4.460 -1.317 1.291
216 H ARG 33 H ARG 33 -0.762 2.178 6.990
217 HA ARG 33 HA ARG 33 -1.301 -0.545 7.702
218 HB2 ARG 33 1HB ARG 33 -0.364 1.174 9.868
219 HB3 ARG 33 2HB ARG 33 0.365 -0.273 9.185
220 HG2 ARG 33 1HG ARG 33 0.919 1.397 7.202
221 HG3 ARG 33 2HG ARG 33 0.805 2.577 8.510
222 HD2 ARG 33 1HD ARG 33 2.400 0.108 8.967
223 HD3 ARG 33 2HD ARG 33 3.079 1.359 7.927
224 HE ARG 33 HE ARG 33 2.243 2.681 10.176
225 HH11 ARG 33 1HH1 ARG 33 4.409 0.041 9.499
226 HH12 ARG 33 2HH1 ARG 33 5.449 0.377 10.844
227 HH21 ARG 33 1HH2 ARG 33 3.604 3.134 11.950
228 HH22 ARG 33 2HH2 ARG 33 4.989 2.137 12.238
229 H ILE 34 H ILE 34 -2.447 2.621 8.788
230 HA ILE 34 HA ILE 34 -3.896 2.019 11.007
231 HB ILE 34 HB ILE 34 -5.163 3.930 10.665
232 HG12 ILE 34 1HG1 ILE 34 -4.858 3.563 7.677
233 HG13 ILE 34 2HG1 ILE 34 -6.285 3.123 8.609
234 HG21 ILE 34 1HG2 ILE 34 -3.226 4.891 8.709
235 HG22 ILE 34 2HG2 ILE 34 -3.521 5.416 10.365
236 HG23 ILE 34 3HG2 ILE 34 -2.492 4.018 10.054
237 HD11 ILE 34 3HD1 ILE 34 -6.631 5.453 9.201
238 HD12 ILE 34 1HD1 ILE 34 -5.182 5.905 8.304
239 HD13 ILE 34 2HD1 ILE 34 -6.577 5.243 7.451
240 H HIS 35 H HIS 35 -4.801 1.367 7.662
241 HA HIS 35 HA HIS 35 -7.423 0.417 8.303
242 HB2 HIS 35 1HB HIS 35 -5.846 -0.173 5.796
243 HB3 HIS 35 2HB HIS 35 -7.597 -0.184 5.992
244 HD1 HIS 35 HD1 HIS 35 -8.555 2.337 6.732
245 HD2 HIS 35 HD2 HIS 35 -4.946 2.113 4.685
246 HE1 HIS 35 HE1 HIS 35 -8.188 4.628 5.762
247 H THR 36 H THR 36 -4.253 -0.986 8.123
248 HA THR 36 HA THR 36 -5.052 -3.703 7.889
249 HB THR 36 HB THR 36 -2.801 -4.290 8.351
250 HG1 THR 36 HG1 THR 36 -1.390 -2.940 9.432
251 HG21 THR 36 3HG2 THR 36 -3.125 -1.733 6.832
252 HG22 THR 36 1HG2 THR 36 -2.761 -3.351 6.234
253 HG23 THR 36 2HG2 THR 36 -1.516 -2.418 7.065
254 H GLY 37 H GLY 37 -6.342 -4.624 9.359
255 HA2 GLY 37 1HA GLY 37 -5.775 -5.590 11.741
256 HA3 GLY 37 2HA GLY 37 -6.055 -3.912 12.183
257 H GLU 38 H GLU 38 -8.185 -3.313 10.481
258 HA GLU 38 HA GLU 38 -10.284 -5.059 11.588
259 HB2 GLU 38 1HB GLU 38 -10.082 -2.569 12.304
260 HB3 GLU 38 2HB GLU 38 -10.762 -2.225 10.719
261 HG2 GLU 38 1HG GLU 38 -12.775 -3.330 11.228
262 HG3 GLU 38 2HG GLU 38 -12.085 -4.090 12.661
263 H LYS 39 H LYS 39 -12.159 -5.443 10.299
264 HA LYS 39 HA LYS 39 -11.842 -6.398 7.817
265 HB2 LYS 39 1HB LYS 39 -14.217 -5.061 9.070
266 HB3 LYS 39 2HB LYS 39 -14.308 -5.648 7.415
267 HG2 LYS 39 1HG LYS 39 -13.820 -7.894 8.135
268 HG3 LYS 39 2HG LYS 39 -13.570 -7.341 9.793
269 HD2 LYS 39 1HD LYS 39 -16.171 -6.945 8.334
270 HD3 LYS 39 2HD LYS 39 -15.820 -8.403 9.266
271 HE2 LYS 39 1HE LYS 39 -15.572 -5.649 10.443
272 HE3 LYS 39 2HE LYS 39 -17.096 -6.535 10.446
273 HZ1 LYS 39 3HZ LYS 39 -14.556 -7.495 11.649
274 HZ2 LYS 39 1HZ LYS 39 -16.040 -8.306 11.683
275 HZ3 LYS 39 2HZ LYS 39 -15.858 -6.841 12.508
276 HA PRO 40 HA PRO 40 -10.834 -3.055 5.121
277 HB2 PRO 40 1HB PRO 40 -11.390 -4.277 2.761
278 HB3 PRO 40 2HB PRO 40 -9.957 -4.654 3.724
279 HG2 PRO 40 1HG PRO 40 -12.562 -6.119 3.550
280 HG3 PRO 40 2HG PRO 40 -10.912 -6.769 3.573
281 HD2 PRO 40 1HD PRO 40 -12.498 -6.745 5.767
282 HD3 PRO 40 2HD PRO 40 -10.733 -6.578 5.863
283 H SER 41 H SER 41 -11.958 -2.378 2.782
284 HA SER 41 HA SER 41 -14.198 -0.895 3.467
285 HB2 SER 41 1HB SER 41 -13.155 -1.793 0.781
286 HB3 SER 41 2HB SER 41 -14.544 -0.718 0.941
287 HG SER 41 HG SER 41 -12.897 0.459 2.413
288 H GLY 42 H GLY 42 -14.106 -3.865 1.487
289 HA2 GLY 42 1HA GLY 42 -16.735 -4.589 2.548
290 HA3 GLY 42 2HA GLY 42 -16.593 -4.398 0.807
291 HA PRO 43 HA PRO 43 -13.868 -8.202 2.113
292 HB2 PRO 43 1HB PRO 43 -14.416 -9.228 4.566
293 HB3 PRO 43 2HB PRO 43 -13.175 -7.999 4.294
294 HG2 PRO 43 1HG PRO 43 -15.979 -7.672 5.292
295 HG3 PRO 43 2HG PRO 43 -14.488 -6.907 5.873
296 HD2 PRO 43 1HD PRO 43 -16.241 -5.633 4.250
297 HD3 PRO 43 2HD PRO 43 -14.493 -5.329 4.193
298 H SER 44 H SER 44 -14.442 -10.564 2.495
299 HA SER 44 HA SER 44 -17.170 -10.991 1.540
300 HB2 SER 44 1HB SER 44 -15.185 -11.965 0.326
301 HB3 SER 44 2HB SER 44 -14.929 -13.014 1.720
302 HG SER 44 HG SER 44 -16.190 -13.995 0.048
303 H SER 45 H SER 45 -18.598 -12.459 2.487
304 HA SER 45 HA SER 45 -17.869 -13.509 5.127
305 HB2 SER 45 1HB SER 45 -19.855 -12.661 6.163
306 HB3 SER 45 2HB SER 45 -19.082 -11.302 5.348
307 HG SER 45 HG SER 45 -20.744 -11.139 4.066
308 H GLY 46 H GLY 46 -19.432 -15.139 5.925
309 HA2 GLY 46 1HA GLY 46 -20.573 -16.638 3.651
310 HA3 GLY 46 2HA GLY 46 -19.900 -17.386 5.092
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -18.311 17.664 -23.042
2 HA2 GLY 1 1HA GLY 1 -16.224 18.354 -24.428
3 HA3 GLY 1 2HA GLY 1 -16.217 19.708 -23.307
4 H SER 2 H SER 2 -16.155 16.161 -23.420
5 HA SER 2 HA SER 2 -15.426 15.692 -20.774
6 HB2 SER 2 1HB SER 2 -16.106 13.987 -22.547
7 HB3 SER 2 2HB SER 2 -14.433 14.045 -23.101
8 HG SER 2 HG SER 2 -14.505 13.734 -20.435
9 H SER 3 H SER 3 -13.872 17.021 -19.948
10 HA SER 3 HA SER 3 -11.294 17.203 -21.313
11 HB2 SER 3 1HB SER 3 -10.779 18.996 -19.765
12 HB3 SER 3 2HB SER 3 -12.384 19.273 -20.442
13 HG SER 3 HG SER 3 -12.990 19.373 -18.436
14 H GLY 4 H GLY 4 -9.656 15.927 -20.776
15 HA2 GLY 4 1HA GLY 4 -9.048 15.249 -18.068
16 HA3 GLY 4 2HA GLY 4 -9.735 13.882 -18.934
17 H SER 5 H SER 5 -7.388 16.445 -19.739
18 HA SER 5 HA SER 5 -5.678 14.393 -20.944
19 HB2 SER 5 1HB SER 5 -5.727 17.403 -21.204
20 HB3 SER 5 2HB SER 5 -4.452 16.398 -21.892
21 HG SER 5 HG SER 5 -5.856 16.491 -23.515
22 H SER 6 H SER 6 -3.865 13.738 -19.996
23 HA SER 6 HA SER 6 -3.143 14.339 -17.409
24 HB2 SER 6 1HB SER 6 -1.221 13.478 -19.582
25 HB3 SER 6 2HB SER 6 -1.043 13.217 -17.847
26 HG SER 6 HG SER 6 -2.682 11.919 -19.691
27 H GLY 7 H GLY 7 -1.454 15.511 -20.332
28 HA2 GLY 7 1HA GLY 7 -0.497 17.577 -20.741
29 HA3 GLY 7 2HA GLY 7 -1.134 18.135 -19.201
30 H HIS 8 H HIS 8 0.015 17.292 -17.237
31 HA HIS 8 HA HIS 8 2.909 17.174 -17.775
32 HB2 HIS 8 1HB HIS 8 1.457 18.289 -15.367
33 HB3 HIS 8 2HB HIS 8 3.207 18.197 -15.538
34 HD2 HIS 8 HD2 HIS 8 0.343 20.563 -16.361
35 HE1 HIS 8 HE1 HIS 8 3.720 21.940 -18.529
36 HE2 HIS 8 HE2 HIS 8 1.410 22.504 -17.697
37 H GLY 9 H GLY 9 0.447 16.140 -15.410
38 HA2 GLY 9 1HA GLY 9 0.563 13.565 -15.213
39 HA3 GLY 9 2HA GLY 9 2.202 13.896 -14.671
40 H GLU 10 H GLU 10 2.090 13.253 -12.583
41 HA GLU 10 HA GLU 10 0.948 14.981 -10.676
42 HB2 GLU 10 1HB GLU 10 -1.186 14.168 -10.949
43 HB3 GLU 10 2HB GLU 10 -0.632 12.574 -11.439
44 HG2 GLU 10 1HG GLU 10 -0.438 11.823 -9.295
45 HG3 GLU 10 2HG GLU 10 -0.133 13.431 -8.642
46 H ARG 11 H ARG 11 1.766 14.615 -8.647
47 HA ARG 11 HA ARG 11 3.410 12.192 -8.314
48 HB2 ARG 11 1HB ARG 11 4.759 14.255 -8.740
49 HB3 ARG 11 2HB ARG 11 4.084 14.946 -7.270
50 HG2 ARG 11 1HG ARG 11 5.082 13.132 -5.964
51 HG3 ARG 11 2HG ARG 11 5.773 12.459 -7.442
52 HD2 ARG 11 1HD ARG 11 7.516 13.693 -6.477
53 HD3 ARG 11 2HD ARG 11 6.886 14.731 -7.755
54 HE ARG 11 HE ARG 11 5.610 15.300 -5.293
55 HH11 ARG 11 1HH1 ARG 11 8.617 15.739 -6.992
56 HH12 ARG 11 2HH1 ARG 11 9.031 17.194 -6.149
57 HH21 ARG 11 1HH2 ARG 11 6.145 17.215 -4.176
58 HH22 ARG 11 2HH2 ARG 11 7.625 18.033 -4.546
59 H GLY 12 H GLY 12 3.210 11.107 -6.428
60 HA2 GLY 12 1HA GLY 12 2.813 11.592 -3.925
61 HA3 GLY 12 2HA GLY 12 1.261 12.182 -4.502
62 H HIS 13 H HIS 13 0.612 10.473 -2.874
63 HA HIS 13 HA HIS 13 0.009 8.032 -4.347
64 HB2 HIS 13 1HB HIS 13 1.281 8.008 -1.602
65 HB3 HIS 13 2HB HIS 13 0.641 6.596 -2.438
66 HD2 HIS 13 HD2 HIS 13 3.770 8.909 -2.503
67 HE1 HIS 13 HE1 HIS 13 4.403 5.723 -5.232
68 HE2 HIS 13 HE2 HIS 13 5.461 7.650 -4.001
69 H ARG 14 H ARG 14 -2.124 7.857 -4.275
70 HA ARG 14 HA ARG 14 -3.580 8.941 -1.979
71 HB2 ARG 14 1HB ARG 14 -4.296 9.702 -4.187
72 HB3 ARG 14 2HB ARG 14 -4.561 8.039 -4.692
73 HG2 ARG 14 1HG ARG 14 -6.185 7.992 -2.642
74 HG3 ARG 14 2HG ARG 14 -6.169 9.743 -2.857
75 HD2 ARG 14 1HD ARG 14 -6.778 7.776 -5.057
76 HD3 ARG 14 2HD ARG 14 -8.010 8.557 -4.066
77 HE ARG 14 HE ARG 14 -6.522 10.617 -5.063
78 HH11 ARG 14 1HH1 ARG 14 -8.289 7.955 -6.444
79 HH12 ARG 14 2HH1 ARG 14 -8.680 8.802 -7.904
80 HH21 ARG 14 1HH2 ARG 14 -7.031 11.743 -6.981
81 HH22 ARG 14 2HH2 ARG 14 -7.964 10.956 -8.208
82 H CYS 15 H CYS 15 -4.871 7.722 -0.674
83 HA CYS 15 HA CYS 15 -4.406 4.866 -0.705
84 HB2 CYS 15 1HB CYS 15 -4.295 5.992 1.430
85 HB3 CYS 15 2HB CYS 15 -5.913 6.653 1.212
86 H SER 16 H SER 16 -6.138 3.302 -0.541
87 HA SER 16 HA SER 16 -8.474 4.107 -2.136
88 HB2 SER 16 1HB SER 16 -6.900 2.301 -3.006
89 HB3 SER 16 2HB SER 16 -7.503 1.281 -1.701
90 HG SER 16 HG SER 16 -9.051 2.475 -3.761
91 H ASP 17 H ASP 17 -7.450 2.557 0.824
92 HA ASP 17 HA ASP 17 -9.869 1.424 1.640
93 HB2 ASP 17 1HB ASP 17 -7.448 1.348 2.682
94 HB3 ASP 17 2HB ASP 17 -8.053 2.688 3.653
95 H CYS 18 H CYS 18 -8.511 4.606 2.511
96 HA CYS 18 HA CYS 18 -11.195 5.450 3.352
97 HB2 CYS 18 1HB CYS 18 -9.982 7.361 4.430
98 HB3 CYS 18 2HB CYS 18 -9.547 5.779 5.068
99 H GLY 19 H GLY 19 -8.433 6.484 1.375
100 HA2 GLY 19 1HA GLY 19 -8.832 7.397 -0.827
101 HA3 GLY 19 2HA GLY 19 -10.314 8.110 -0.210
102 H LYS 20 H LYS 20 -7.053 8.155 1.181
103 HA LYS 20 HA LYS 20 -7.221 11.076 1.297
104 HB2 LYS 20 1HB LYS 20 -5.783 8.986 2.844
105 HB3 LYS 20 2HB LYS 20 -4.985 10.544 2.676
106 HG2 LYS 20 1HG LYS 20 -6.946 11.652 3.627
107 HG3 LYS 20 2HG LYS 20 -7.741 10.085 3.802
108 HD2 LYS 20 1HD LYS 20 -6.874 10.307 5.904
109 HD3 LYS 20 2HD LYS 20 -5.513 9.510 5.111
110 HE2 LYS 20 1HE LYS 20 -4.410 11.631 4.781
111 HE3 LYS 20 2HE LYS 20 -5.806 12.495 5.424
112 HZ1 LYS 20 3HZ LYS 20 -3.705 11.066 6.827
113 HZ2 LYS 20 1HZ LYS 20 -5.265 10.859 7.447
114 HZ3 LYS 20 2HZ LYS 20 -4.609 12.412 7.310
115 H PHE 21 H PHE 21 -4.784 12.010 1.263
116 HA PHE 21 HA PHE 21 -3.432 10.937 -1.114
117 HB2 PHE 21 1HB PHE 21 -4.926 12.869 -1.717
118 HB3 PHE 21 2HB PHE 21 -3.937 13.883 -0.670
119 HD1 PHE 21 HD1 PHE 21 -3.875 11.790 -3.715
120 HD2 PHE 21 HD2 PHE 21 -1.897 14.777 -1.417
121 HE1 PHE 21 HE1 PHE 21 -2.324 12.194 -5.582
122 HE2 PHE 21 HE2 PHE 21 -0.343 15.186 -3.280
123 HZ PHE 21 HZ PHE 21 -0.556 13.895 -5.366
124 H PHE 22 H PHE 22 -1.202 11.422 -1.270
125 HA PHE 22 HA PHE 22 0.070 12.780 0.966
126 HB2 PHE 22 1HB PHE 22 0.730 9.906 0.285
127 HB3 PHE 22 2HB PHE 22 1.535 10.897 1.497
128 HD1 PHE 22 HD2 PHE 22 -1.900 9.744 0.607
129 HD2 PHE 22 HD1 PHE 22 0.902 10.637 3.684
130 HE1 PHE 22 HE2 PHE 22 -3.519 8.984 2.297
131 HE2 PHE 22 HE1 PHE 22 -0.712 9.877 5.379
132 HZ PHE 22 HZ PHE 22 -2.926 9.051 4.686
133 H LEU 23 H LEU 23 2.453 12.971 0.631
134 HA LEU 23 HA LEU 23 3.068 13.110 -2.248
135 HB2 LEU 23 1HB LEU 23 3.881 14.905 0.024
136 HB3 LEU 23 2HB LEU 23 4.674 14.939 -1.550
137 HG LEU 23 HG LEU 23 3.010 16.737 -1.261
138 HD11 LEU 23 1HD1 LEU 23 2.077 16.556 -3.409
139 HD12 LEU 23 2HD1 LEU 23 2.049 14.794 -3.341
140 HD13 LEU 23 3HD1 LEU 23 3.586 15.646 -3.481
141 HD21 LEU 23 3HD2 LEU 23 1.496 14.980 0.061
142 HD22 LEU 23 1HD2 LEU 23 0.768 14.824 -1.538
143 HD23 LEU 23 2HD2 LEU 23 0.827 16.399 -0.747
144 H GLN 24 H GLN 24 4.252 12.285 0.947
145 HA GLN 24 HA GLN 24 6.756 11.287 -0.203
146 HB2 GLN 24 1HB GLN 24 5.964 11.539 2.703
147 HB3 GLN 24 2HB GLN 24 7.559 11.126 2.089
148 HG2 GLN 24 1HG GLN 24 6.288 13.705 1.297
149 HG3 GLN 24 2HG GLN 24 7.049 13.545 2.879
150 HE21 GLN 24 1HE2 GLN 24 8.137 15.383 1.404
151 HE22 GLN 24 2HE2 GLN 24 9.628 14.876 0.693
152 H ALA 25 H ALA 25 6.866 9.225 -0.759
153 HA ALA 25 HA ALA 25 4.972 7.298 -0.539
154 HB1 ALA 25 3HB ALA 25 7.803 6.426 -0.220
155 HB2 ALA 25 1HB ALA 25 6.534 5.784 -1.264
156 HB3 ALA 25 2HB ALA 25 7.335 7.300 -1.679
157 H SER 26 H SER 26 7.755 7.535 1.688
158 HA SER 26 HA SER 26 7.157 5.575 3.468
159 HB2 SER 26 1HB SER 26 8.042 7.400 5.222
160 HB3 SER 26 2HB SER 26 9.110 6.610 4.063
161 HG SER 26 HG SER 26 7.791 8.930 3.250
162 H ASN 27 H ASN 27 5.944 8.920 3.673
163 HA ASN 27 HA ASN 27 4.320 8.560 5.918
164 HB2 ASN 27 1HB ASN 27 3.919 10.465 3.600
165 HB3 ASN 27 2HB ASN 27 3.151 10.598 5.179
166 HD21 ASN 27 1HD2 ASN 27 4.018 12.502 5.805
167 HD22 ASN 27 2HD2 ASN 27 5.706 12.753 6.080
168 H PHE 28 H PHE 28 3.743 7.904 2.524
169 HA PHE 28 HA PHE 28 0.936 7.464 2.786
170 HB2 PHE 28 1HB PHE 28 1.690 8.021 0.613
171 HB3 PHE 28 2HB PHE 28 2.952 6.794 0.650
172 HD1 PHE 28 HD1 PHE 28 2.439 4.466 0.233
173 HD2 PHE 28 HD2 PHE 28 -0.599 7.444 0.119
174 HE1 PHE 28 HE1 PHE 28 0.937 2.884 -0.905
175 HE2 PHE 28 HE2 PHE 28 -2.107 5.868 -1.018
176 HZ PHE 28 HZ PHE 28 -1.340 3.584 -1.531
177 H ILE 29 H ILE 29 3.790 5.489 3.127
178 HA ILE 29 HA ILE 29 2.447 2.972 3.038
179 HB ILE 29 HB ILE 29 5.130 3.658 4.245
180 HG12 ILE 29 1HG1 ILE 29 4.439 2.550 1.514
181 HG13 ILE 29 2HG1 ILE 29 4.952 4.202 1.839
182 HG21 ILE 29 1HG2 ILE 29 5.614 1.351 4.270
183 HG22 ILE 29 2HG2 ILE 29 4.008 1.507 4.979
184 HG23 ILE 29 3HG2 ILE 29 4.186 0.961 3.312
185 HD11 ILE 29 3HD1 ILE 29 6.660 2.450 0.986
186 HD12 ILE 29 1HD1 ILE 29 7.126 3.585 2.253
187 HD13 ILE 29 2HD1 ILE 29 6.688 1.927 2.670
188 H GLN 30 H GLN 30 3.738 4.957 5.697
189 HA GLN 30 HA GLN 30 2.863 3.265 7.774
190 HB2 GLN 30 1HB GLN 30 3.203 6.249 8.015
191 HB3 GLN 30 2HB GLN 30 3.425 5.029 9.262
192 HG2 GLN 30 1HG GLN 30 5.285 4.155 7.641
193 HG3 GLN 30 2HG GLN 30 5.225 5.806 7.026
194 HE21 GLN 30 1HE2 GLN 30 5.207 4.170 10.180
195 HE22 GLN 30 2HE2 GLN 30 6.376 5.208 10.914
196 H HIS 31 H HIS 31 1.060 4.988 5.609
197 HA HIS 31 HA HIS 31 -1.100 5.603 7.485
198 HB2 HIS 31 1HB HIS 31 -0.886 7.408 6.049
199 HB3 HIS 31 2HB HIS 31 -0.477 6.395 4.667
200 HD1 HIS 31 HD1 HIS 31 -3.440 7.557 6.682
201 HD2 HIS 31 HD2 HIS 31 -2.613 5.612 3.105
202 HE1 HIS 31 HE1 HIS 31 -5.635 7.432 5.461
203 H ARG 32 H ARG 32 -0.328 3.528 4.753
204 HA ARG 32 HA ARG 32 -2.931 2.454 4.413
205 HB2 ARG 32 1HB ARG 32 -0.264 1.229 3.688
206 HB3 ARG 32 2HB ARG 32 -1.832 0.729 3.070
207 HG2 ARG 32 1HG ARG 32 -1.040 3.563 2.697
208 HG3 ARG 32 2HG ARG 32 -0.235 2.338 1.715
209 HD2 ARG 32 1HD ARG 32 -3.220 2.707 1.941
210 HD3 ARG 32 2HD ARG 32 -2.222 3.290 0.609
211 HE ARG 32 HE ARG 32 -1.951 0.474 1.064
212 HH11 ARG 32 1HH1 ARG 32 -3.878 2.929 -0.480
213 HH12 ARG 32 2HH1 ARG 32 -4.502 1.861 -1.692
214 HH21 ARG 32 1HH2 ARG 32 -2.766 -0.942 -0.527
215 HH22 ARG 32 2HH2 ARG 32 -3.870 -0.341 -1.718
216 H ARG 33 H ARG 33 -0.631 2.049 6.842
217 HA ARG 33 HA ARG 33 -1.156 -0.683 7.503
218 HB2 ARG 33 1HB ARG 33 -0.238 0.991 9.711
219 HB3 ARG 33 2HB ARG 33 0.513 -0.423 8.983
220 HG2 ARG 33 1HG ARG 33 1.056 1.289 7.052
221 HG3 ARG 33 2HG ARG 33 0.884 2.455 8.365
222 HD2 ARG 33 1HD ARG 33 2.543 0.037 8.846
223 HD3 ARG 33 2HD ARG 33 3.202 1.299 7.805
224 HE ARG 33 HE ARG 33 2.312 2.623 10.025
225 HH11 ARG 33 1HH1 ARG 33 4.524 0.002 9.427
226 HH12 ARG 33 2HH1 ARG 33 5.530 0.368 10.790
227 HH21 ARG 33 1HH2 ARG 33 3.629 3.115 11.821
228 HH22 ARG 33 2HH2 ARG 33 5.019 2.138 12.151
229 H ILE 34 H ILE 34 -2.318 2.443 8.696
230 HA ILE 34 HA ILE 34 -3.757 1.786 10.894
231 HB ILE 34 HB ILE 34 -5.075 3.671 10.576
232 HG12 ILE 34 1HG1 ILE 34 -4.753 3.345 7.585
233 HG13 ILE 34 2HG1 ILE 34 -6.176 2.877 8.508
234 HG21 ILE 34 1HG2 ILE 34 -3.152 4.701 8.642
235 HG22 ILE 34 2HG2 ILE 34 -3.464 5.196 10.305
236 HG23 ILE 34 3HG2 ILE 34 -2.404 3.825 9.977
237 HD11 ILE 34 3HD1 ILE 34 -6.392 5.037 7.313
238 HD12 ILE 34 1HD1 ILE 34 -6.647 5.151 9.054
239 HD13 ILE 34 2HD1 ILE 34 -5.121 5.687 8.349
240 H HIS 35 H HIS 35 -4.613 1.079 7.559
241 HA HIS 35 HA HIS 35 -7.217 0.047 8.246
242 HB2 HIS 35 1HB HIS 35 -5.757 -0.378 5.642
243 HB3 HIS 35 2HB HIS 35 -7.495 -0.388 5.927
244 HD1 HIS 35 HD1 HIS 35 -8.451 2.073 6.740
245 HD2 HIS 35 HD2 HIS 35 -4.837 1.981 4.693
246 HE1 HIS 35 HE1 HIS 35 -8.101 4.413 5.889
247 H THR 36 H THR 36 -3.999 -1.196 7.833
248 HA THR 36 HA THR 36 -4.675 -3.927 7.476
249 HB THR 36 HB THR 36 -2.374 -4.429 7.896
250 HG1 THR 36 HG1 THR 36 -2.206 -3.064 9.804
251 HG21 THR 36 3HG2 THR 36 -2.964 -1.954 6.351
252 HG22 THR 36 1HG2 THR 36 -2.374 -3.519 5.793
253 HG23 THR 36 2HG2 THR 36 -1.276 -2.400 6.599
254 H GLY 37 H GLY 37 -3.410 -5.430 9.286
255 HA2 GLY 37 1HA GLY 37 -3.200 -5.702 11.709
256 HA3 GLY 37 2HA GLY 37 -4.650 -4.722 11.872
257 H GLU 38 H GLU 38 -5.272 -6.616 13.229
258 HA GLU 38 HA GLU 38 -6.034 -9.000 11.743
259 HB2 GLU 38 1HB GLU 38 -5.073 -9.413 13.895
260 HB3 GLU 38 2HB GLU 38 -6.168 -8.276 14.669
261 HG2 GLU 38 1HG GLU 38 -8.055 -9.751 14.137
262 HG3 GLU 38 2HG GLU 38 -6.934 -10.900 13.410
263 H LYS 39 H LYS 39 -7.786 -8.642 10.501
264 HA LYS 39 HA LYS 39 -10.154 -7.452 11.789
265 HB2 LYS 39 1HB LYS 39 -9.057 -7.263 9.028
266 HB3 LYS 39 2HB LYS 39 -10.807 -7.263 9.210
267 HG2 LYS 39 1HG LYS 39 -10.189 -5.007 9.191
268 HG3 LYS 39 2HG LYS 39 -10.483 -5.387 10.889
269 HD2 LYS 39 1HD LYS 39 -7.911 -5.910 10.891
270 HD3 LYS 39 2HD LYS 39 -7.909 -4.857 9.474
271 HE2 LYS 39 1HE LYS 39 -8.562 -3.004 10.688
272 HE3 LYS 39 2HE LYS 39 -9.292 -3.971 11.968
273 HZ1 LYS 39 3HZ LYS 39 -6.466 -3.284 11.545
274 HZ2 LYS 39 1HZ LYS 39 -6.853 -4.718 12.355
275 HZ3 LYS 39 2HZ LYS 39 -7.382 -3.233 12.966
276 HA PRO 40 HA PRO 40 -12.348 -11.227 11.326
277 HB2 PRO 40 1HB PRO 40 -14.868 -10.318 10.891
278 HB3 PRO 40 2HB PRO 40 -14.072 -10.226 12.466
279 HG2 PRO 40 1HG PRO 40 -14.394 -8.104 10.379
280 HG3 PRO 40 2HG PRO 40 -14.584 -7.981 12.138
281 HD2 PRO 40 1HD PRO 40 -12.348 -7.156 10.853
282 HD3 PRO 40 2HD PRO 40 -12.313 -7.822 12.498
283 H SER 41 H SER 41 -12.940 -12.664 9.769
284 HA SER 41 HA SER 41 -12.422 -12.080 7.071
285 HB2 SER 41 1HB SER 41 -12.294 -14.352 8.154
286 HB3 SER 41 2HB SER 41 -14.056 -14.408 8.103
287 HG SER 41 HG SER 41 -13.985 -14.783 6.026
288 H GLY 42 H GLY 42 -13.611 -10.960 5.686
289 HA2 GLY 42 1HA GLY 42 -15.851 -11.150 4.504
290 HA3 GLY 42 2HA GLY 42 -16.533 -10.875 6.100
291 HA PRO 43 HA PRO 43 -16.551 -6.563 5.308
292 HB2 PRO 43 1HB PRO 43 -16.333 -5.591 7.834
293 HB3 PRO 43 2HB PRO 43 -17.808 -6.348 7.220
294 HG2 PRO 43 1HG PRO 43 -15.648 -7.520 8.929
295 HG3 PRO 43 2HG PRO 43 -17.407 -7.690 9.076
296 HD2 PRO 43 1HD PRO 43 -15.846 -9.603 7.965
297 HD3 PRO 43 2HD PRO 43 -17.514 -9.305 7.436
298 H SER 44 H SER 44 -14.511 -6.505 4.185
299 HA SER 44 HA SER 44 -12.643 -4.731 5.324
300 HB2 SER 44 1HB SER 44 -10.678 -6.189 5.483
301 HB3 SER 44 2HB SER 44 -11.943 -6.732 6.586
302 HG SER 44 HG SER 44 -11.855 -7.820 4.010
303 H SER 45 H SER 45 -10.748 -4.373 3.873
304 HA SER 45 HA SER 45 -11.634 -4.554 1.115
305 HB2 SER 45 1HB SER 45 -10.029 -2.887 0.628
306 HB3 SER 45 2HB SER 45 -10.653 -2.456 2.220
307 HG SER 45 HG SER 45 -8.605 -2.453 2.722
308 H GLY 46 H GLY 46 -9.755 -4.889 -0.536
309 HA2 GLY 46 1HA GLY 46 -8.183 -7.239 0.321
310 HA3 GLY 46 2HA GLY 46 -9.038 -7.201 -1.214
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -15.496 8.856 -32.345
2 HA2 GLY 1 1HA GLY 1 -12.955 8.110 -31.037
3 HA3 GLY 1 2HA GLY 1 -13.432 9.791 -31.229
4 H SER 2 H SER 2 -13.053 7.699 -28.922
5 HA SER 2 HA SER 2 -15.632 7.918 -27.600
6 HB2 SER 2 1HB SER 2 -14.177 5.846 -27.484
7 HB3 SER 2 2HB SER 2 -13.076 6.771 -26.463
8 HG SER 2 HG SER 2 -14.650 6.937 -24.921
9 H SER 3 H SER 3 -15.814 8.781 -25.418
10 HA SER 3 HA SER 3 -14.322 11.271 -25.173
11 HB2 SER 3 1HB SER 3 -16.034 11.991 -23.674
12 HB3 SER 3 2HB SER 3 -16.851 11.151 -24.991
13 HG SER 3 HG SER 3 -16.217 9.386 -23.088
14 H GLY 4 H GLY 4 -12.593 11.416 -23.916
15 HA2 GLY 4 1HA GLY 4 -12.548 10.136 -21.315
16 HA3 GLY 4 2HA GLY 4 -11.361 9.521 -22.456
17 H SER 5 H SER 5 -11.061 11.008 -19.899
18 HA SER 5 HA SER 5 -9.857 13.516 -20.794
19 HB2 SER 5 1HB SER 5 -9.848 14.197 -18.539
20 HB3 SER 5 2HB SER 5 -11.349 13.286 -18.703
21 HG SER 5 HG SER 5 -10.130 12.707 -16.829
22 H SER 6 H SER 6 -7.781 13.610 -21.295
23 HA SER 6 HA SER 6 -6.014 11.413 -20.663
24 HB2 SER 6 1HB SER 6 -5.589 13.976 -22.213
25 HB3 SER 6 2HB SER 6 -4.352 12.736 -22.004
26 HG SER 6 HG SER 6 -5.590 12.556 -23.975
27 H GLY 7 H GLY 7 -4.276 11.435 -19.297
28 HA2 GLY 7 1HA GLY 7 -2.875 12.143 -17.614
29 HA3 GLY 7 2HA GLY 7 -3.239 13.795 -18.092
30 H HIS 8 H HIS 8 -4.004 11.195 -15.938
31 HA HIS 8 HA HIS 8 -6.233 12.574 -14.716
32 HB2 HIS 8 1HB HIS 8 -4.762 10.063 -13.890
33 HB3 HIS 8 2HB HIS 8 -6.229 10.671 -13.129
34 HD2 HIS 8 HD2 HIS 8 -7.962 11.249 -15.867
35 HE1 HIS 8 HE1 HIS 8 -7.262 7.137 -16.645
36 HE2 HIS 8 HE2 HIS 8 -8.610 9.172 -17.266
37 H GLY 9 H GLY 9 -3.019 11.498 -13.587
38 HA2 GLY 9 1HA GLY 9 -1.946 13.670 -12.509
39 HA3 GLY 9 2HA GLY 9 -3.207 13.340 -11.331
40 H GLU 10 H GLU 10 -0.059 12.584 -12.379
41 HA GLU 10 HA GLU 10 0.068 10.226 -10.633
42 HB2 GLU 10 1HB GLU 10 2.177 9.707 -11.737
43 HB3 GLU 10 2HB GLU 10 0.901 9.927 -12.926
44 HG2 GLU 10 1HG GLU 10 1.779 11.904 -13.707
45 HG3 GLU 10 2HG GLU 10 2.651 12.231 -12.211
46 H ARG 11 H ARG 11 -0.150 12.730 -9.404
47 HA ARG 11 HA ARG 11 2.566 13.203 -8.374
48 HB2 ARG 11 1HB ARG 11 1.646 15.218 -9.278
49 HB3 ARG 11 2HB ARG 11 0.124 14.974 -8.432
50 HG2 ARG 11 1HG ARG 11 1.064 15.524 -6.354
51 HG3 ARG 11 2HG ARG 11 2.711 15.358 -6.964
52 HD2 ARG 11 1HD ARG 11 2.086 17.277 -8.560
53 HD3 ARG 11 2HD ARG 11 0.724 17.545 -7.473
54 HE ARG 11 HE ARG 11 3.463 18.211 -6.995
55 HH11 ARG 11 1HH1 ARG 11 0.467 17.312 -5.467
56 HH12 ARG 11 2HH1 ARG 11 0.862 18.063 -3.956
57 HH21 ARG 11 1HH2 ARG 11 3.994 19.204 -5.012
58 HH22 ARG 11 2HH2 ARG 11 2.867 19.140 -3.699
59 H GLY 12 H GLY 12 3.008 12.952 -6.238
60 HA2 GLY 12 1HA GLY 12 2.722 12.369 -4.033
61 HA3 GLY 12 2HA GLY 12 1.048 12.880 -4.191
62 H HIS 13 H HIS 13 0.574 11.072 -2.774
63 HA HIS 13 HA HIS 13 0.070 8.655 -4.322
64 HB2 HIS 13 1HB HIS 13 1.455 8.571 -1.633
65 HB3 HIS 13 2HB HIS 13 0.961 7.178 -2.592
66 HD2 HIS 13 HD2 HIS 13 3.719 9.963 -2.634
67 HE1 HIS 13 HE1 HIS 13 4.796 6.916 -5.382
68 HE2 HIS 13 HE2 HIS 13 5.555 8.992 -4.175
69 H ARG 14 H ARG 14 -2.093 8.670 -4.214
70 HA ARG 14 HA ARG 14 -3.444 9.397 -1.744
71 HB2 ARG 14 1HB ARG 14 -4.398 10.301 -3.750
72 HB3 ARG 14 2HB ARG 14 -4.453 8.714 -4.505
73 HG2 ARG 14 1HG ARG 14 -5.998 8.147 -2.460
74 HG3 ARG 14 2HG ARG 14 -6.235 9.896 -2.441
75 HD2 ARG 14 1HD ARG 14 -7.333 9.908 -4.439
76 HD3 ARG 14 2HD ARG 14 -6.457 8.506 -5.052
77 HE ARG 14 HE ARG 14 -8.042 7.124 -4.105
78 HH11 ARG 14 1HH1 ARG 14 -8.518 10.403 -3.039
79 HH12 ARG 14 2HH1 ARG 14 -10.071 10.088 -2.337
80 HH21 ARG 14 1HH2 ARG 14 -10.085 6.696 -3.185
81 HH22 ARG 14 2HH2 ARG 14 -10.961 7.978 -2.420
82 H CYS 15 H CYS 15 -4.584 8.029 -0.450
83 HA CYS 15 HA CYS 15 -3.897 5.265 -0.514
84 HB2 CYS 15 1HB CYS 15 -4.200 6.274 1.627
85 HB3 CYS 15 2HB CYS 15 -5.802 6.865 1.195
86 H SER 16 H SER 16 -5.497 3.500 -0.449
87 HA SER 16 HA SER 16 -7.582 3.955 -2.468
88 HB2 SER 16 1HB SER 16 -6.226 1.395 -1.588
89 HB3 SER 16 2HB SER 16 -7.502 1.491 -2.801
90 HG SER 16 HG SER 16 -4.830 2.162 -2.981
91 H ASP 17 H ASP 17 -6.993 2.629 0.733
92 HA ASP 17 HA ASP 17 -9.503 1.473 1.191
93 HB2 ASP 17 1HB ASP 17 -7.281 2.459 2.908
94 HB3 ASP 17 2HB ASP 17 -8.841 2.185 3.678
95 H CYS 18 H CYS 18 -8.320 4.666 2.263
96 HA CYS 18 HA CYS 18 -11.106 5.515 2.610
97 HB2 CYS 18 1HB CYS 18 -10.085 7.458 3.830
98 HB3 CYS 18 2HB CYS 18 -9.769 5.890 4.565
99 H GLY 19 H GLY 19 -8.057 6.566 1.117
100 HA2 GLY 19 1HA GLY 19 -8.210 7.384 -1.197
101 HA3 GLY 19 2HA GLY 19 -9.665 8.242 -0.710
102 H LYS 20 H LYS 20 -7.289 8.305 1.685
103 HA LYS 20 HA LYS 20 -7.006 11.075 1.676
104 HB2 LYS 20 1HB LYS 20 -5.595 8.810 2.980
105 HB3 LYS 20 2HB LYS 20 -4.757 10.356 2.956
106 HG2 LYS 20 1HG LYS 20 -6.865 11.359 3.936
107 HG3 LYS 20 2HG LYS 20 -7.407 9.700 4.206
108 HD2 LYS 20 1HD LYS 20 -6.406 10.185 6.224
109 HD3 LYS 20 2HD LYS 20 -5.070 9.435 5.349
110 HE2 LYS 20 1HE LYS 20 -3.973 11.437 5.040
111 HE3 LYS 20 2HE LYS 20 -5.451 12.388 5.173
112 HZ1 LYS 20 3HZ LYS 20 -5.435 12.234 7.476
113 HZ2 LYS 20 1HZ LYS 20 -3.802 12.460 7.098
114 HZ3 LYS 20 2HZ LYS 20 -4.372 10.918 7.495
115 H PHE 21 H PHE 21 -4.604 12.020 1.667
116 HA PHE 21 HA PHE 21 -3.238 11.131 -0.774
117 HB2 PHE 21 1HB PHE 21 -4.777 13.043 -1.291
118 HB3 PHE 21 2HB PHE 21 -3.846 14.030 -0.168
119 HD1 PHE 21 HD1 PHE 21 -3.701 12.179 -3.354
120 HD2 PHE 21 HD2 PHE 21 -1.784 14.992 -0.799
121 HE1 PHE 21 HE1 PHE 21 -2.138 12.753 -5.165
122 HE2 PHE 21 HE2 PHE 21 -0.218 15.571 -2.606
123 HZ PHE 21 HZ PHE 21 -0.394 14.452 -4.793
124 H PHE 22 H PHE 22 -1.023 11.693 -0.904
125 HA PHE 22 HA PHE 22 0.212 12.963 1.401
126 HB2 PHE 22 1HB PHE 22 0.918 10.137 0.582
127 HB3 PHE 22 2HB PHE 22 1.742 11.088 1.814
128 HD1 PHE 22 HD2 PHE 22 -1.668 9.853 0.952
129 HD2 PHE 22 HD1 PHE 22 1.134 10.805 4.012
130 HE1 PHE 22 HE2 PHE 22 -3.235 9.003 2.648
131 HE2 PHE 22 HE1 PHE 22 -0.429 9.956 5.712
132 HZ PHE 22 HZ PHE 22 -2.617 9.055 5.031
133 H LEU 23 H LEU 23 2.703 12.948 1.067
134 HA LEU 23 HA LEU 23 3.258 13.389 -1.793
135 HB2 LEU 23 1HB LEU 23 4.102 14.987 0.608
136 HB3 LEU 23 2HB LEU 23 4.917 15.120 -0.949
137 HG LEU 23 HG LEU 23 3.310 16.934 -0.586
138 HD11 LEU 23 1HD1 LEU 23 1.895 15.517 -2.698
139 HD12 LEU 23 2HD1 LEU 23 3.648 15.421 -2.853
140 HD13 LEU 23 3HD1 LEU 23 2.856 16.994 -2.768
141 HD21 LEU 23 3HD2 LEU 23 1.163 16.648 0.026
142 HD22 LEU 23 1HD2 LEU 23 1.750 15.101 0.639
143 HD23 LEU 23 2HD2 LEU 23 0.969 15.185 -0.941
144 H GLN 24 H GLN 24 4.473 12.305 1.314
145 HA GLN 24 HA GLN 24 6.921 11.321 0.031
146 HB2 GLN 24 1HB GLN 24 6.251 11.458 2.975
147 HB3 GLN 24 2HB GLN 24 7.811 11.045 2.277
148 HG2 GLN 24 1HG GLN 24 6.566 13.680 1.650
149 HG3 GLN 24 2HG GLN 24 7.373 13.435 3.198
150 HE21 GLN 24 1HE2 GLN 24 9.031 14.849 2.770
151 HE22 GLN 24 2HE2 GLN 24 10.263 14.528 1.603
152 H ALA 25 H ALA 25 6.913 9.292 -0.648
153 HA ALA 25 HA ALA 25 5.025 7.398 -0.495
154 HB1 ALA 25 3HB ALA 25 7.976 6.817 -0.267
155 HB2 ALA 25 1HB ALA 25 6.732 5.700 -0.829
156 HB3 ALA 25 2HB ALA 25 7.107 7.148 -1.765
157 H SER 26 H SER 26 7.760 7.409 1.804
158 HA SER 26 HA SER 26 7.025 5.446 3.510
159 HB2 SER 26 1HB SER 26 8.040 8.133 4.459
160 HB3 SER 26 2HB SER 26 8.249 6.576 5.260
161 HG SER 26 HG SER 26 9.985 6.367 4.115
162 H ASN 27 H ASN 27 6.005 8.842 3.913
163 HA ASN 27 HA ASN 27 4.291 8.485 6.056
164 HB2 ASN 27 1HB ASN 27 4.040 10.437 3.757
165 HB3 ASN 27 2HB ASN 27 3.160 10.557 5.277
166 HD21 ASN 27 1HD2 ASN 27 3.982 12.081 6.498
167 HD22 ASN 27 2HD2 ASN 27 5.662 12.426 6.711
168 H PHE 28 H PHE 28 3.743 7.916 2.637
169 HA PHE 28 HA PHE 28 0.922 7.521 2.877
170 HB2 PHE 28 1HB PHE 28 1.687 8.161 0.731
171 HB3 PHE 28 2HB PHE 28 2.928 6.913 0.714
172 HD1 PHE 28 HD2 PHE 28 -0.617 7.640 0.228
173 HD2 PHE 28 HD1 PHE 28 2.381 4.619 0.184
174 HE1 PHE 28 HE2 PHE 28 -2.152 6.139 -0.975
175 HE2 PHE 28 HE1 PHE 28 0.852 3.114 -1.020
176 HZ PHE 28 HZ PHE 28 -1.418 3.872 -1.600
177 H ILE 29 H ILE 29 3.748 5.497 3.141
178 HA ILE 29 HA ILE 29 2.363 3.005 2.949
179 HB ILE 29 HB ILE 29 5.069 3.591 4.157
180 HG12 ILE 29 1HG1 ILE 29 4.350 2.609 1.386
181 HG13 ILE 29 2HG1 ILE 29 4.859 4.249 1.773
182 HG21 ILE 29 1HG2 ILE 29 3.574 1.077 3.590
183 HG22 ILE 29 2HG2 ILE 29 5.328 1.089 3.413
184 HG23 ILE 29 3HG2 ILE 29 4.596 1.496 4.965
185 HD11 ILE 29 3HD1 ILE 29 6.758 3.174 0.926
186 HD12 ILE 29 1HD1 ILE 29 6.988 3.217 2.674
187 HD13 ILE 29 2HD1 ILE 29 6.469 1.725 1.889
188 H GLN 30 H GLN 30 3.671 4.895 5.664
189 HA GLN 30 HA GLN 30 2.810 3.121 7.685
190 HB2 GLN 30 1HB GLN 30 3.163 6.086 8.066
191 HB3 GLN 30 2HB GLN 30 3.432 4.797 9.232
192 HG2 GLN 30 1HG GLN 30 5.268 4.020 7.586
193 HG3 GLN 30 2HG GLN 30 5.140 5.654 6.937
194 HE21 GLN 30 1HE2 GLN 30 6.521 7.036 7.762
195 HE22 GLN 30 2HE2 GLN 30 7.202 6.981 9.348
196 H HIS 31 H HIS 31 0.998 4.907 5.596
197 HA HIS 31 HA HIS 31 -1.137 5.480 7.517
198 HB2 HIS 31 1HB HIS 31 -0.904 7.343 6.153
199 HB3 HIS 31 2HB HIS 31 -0.537 6.380 4.725
200 HD1 HIS 31 HD1 HIS 31 -3.432 7.562 6.813
201 HD2 HIS 31 HD2 HIS 31 -2.725 5.645 3.196
202 HE1 HIS 31 HE1 HIS 31 -5.653 7.510 5.635
203 H ARG 32 H ARG 32 -0.427 3.547 4.660
204 HA ARG 32 HA ARG 32 -3.032 2.507 4.299
205 HB2 ARG 32 1HB ARG 32 -0.351 1.357 3.502
206 HB3 ARG 32 2HB ARG 32 -1.908 0.771 2.932
207 HG2 ARG 32 1HG ARG 32 -1.223 3.641 2.546
208 HG3 ARG 32 2HG ARG 32 -0.485 2.429 1.497
209 HD2 ARG 32 1HD ARG 32 -3.449 2.741 1.954
210 HD3 ARG 32 2HD ARG 32 -2.571 3.394 0.572
211 HE ARG 32 HE ARG 32 -1.934 0.825 0.391
212 HH11 ARG 32 1HH1 ARG 32 -5.008 2.341 1.003
213 HH12 ARG 32 2HH1 ARG 32 -5.928 1.074 0.261
214 HH21 ARG 32 1HH2 ARG 32 -3.134 -0.850 -0.589
215 HH22 ARG 32 2HH2 ARG 32 -4.861 -0.741 -0.643
216 H ARG 33 H ARG 33 -0.776 2.000 6.732
217 HA ARG 33 HA ARG 33 -1.313 -0.759 7.275
218 HB2 ARG 33 1HB ARG 33 -0.400 0.821 9.553
219 HB3 ARG 33 2HB ARG 33 0.347 -0.569 8.776
220 HG2 ARG 33 1HG ARG 33 0.908 1.220 6.916
221 HG3 ARG 33 2HG ARG 33 0.747 2.327 8.281
222 HD2 ARG 33 1HD ARG 33 2.370 -0.122 8.685
223 HD3 ARG 33 2HD ARG 33 3.049 1.142 7.661
224 HE ARG 33 HE ARG 33 2.239 2.487 9.869
225 HH11 ARG 33 1HH1 ARG 33 4.247 -0.310 9.354
226 HH12 ARG 33 2HH1 ARG 33 5.234 -0.020 10.749
227 HH21 ARG 33 1HH2 ARG 33 3.531 2.879 11.708
228 HH22 ARG 33 2HH2 ARG 33 4.825 1.793 12.087
229 H ILE 34 H ILE 34 -2.394 2.316 8.685
230 HA ILE 34 HA ILE 34 -3.870 1.588 10.808
231 HB ILE 34 HB ILE 34 -5.198 3.483 10.549
232 HG12 ILE 34 1HG1 ILE 34 -4.804 3.294 7.554
233 HG13 ILE 34 2HG1 ILE 34 -6.250 2.783 8.420
234 HG21 ILE 34 1HG2 ILE 34 -3.228 4.593 8.709
235 HG22 ILE 34 2HG2 ILE 34 -3.577 5.012 10.386
236 HG23 ILE 34 3HG2 ILE 34 -2.513 3.654 10.020
237 HD11 ILE 34 3HD1 ILE 34 -6.528 5.125 9.199
238 HD12 ILE 34 1HD1 ILE 34 -5.180 5.580 8.157
239 HD13 ILE 34 2HD1 ILE 34 -6.657 4.921 7.452
240 H HIS 35 H HIS 35 -4.822 1.138 7.436
241 HA HIS 35 HA HIS 35 -7.403 0.073 8.071
242 HB2 HIS 35 1HB HIS 35 -5.889 -0.278 5.482
243 HB3 HIS 35 2HB HIS 35 -7.632 -0.345 5.726
244 HD1 HIS 35 HD1 HIS 35 -8.811 1.983 6.273
245 HD2 HIS 35 HD2 HIS 35 -4.880 2.215 4.949
246 HE1 HIS 35 HE1 HIS 35 -8.474 4.378 5.584
247 H THR 36 H THR 36 -4.213 -1.251 7.494
248 HA THR 36 HA THR 36 -4.938 -3.944 7.118
249 HB THR 36 HB THR 36 -2.654 -4.508 7.543
250 HG1 THR 36 HG1 THR 36 -1.543 -3.481 9.018
251 HG21 THR 36 3HG2 THR 36 -1.492 -2.462 6.336
252 HG22 THR 36 1HG2 THR 36 -3.164 -1.957 6.091
253 HG23 THR 36 2HG2 THR 36 -2.614 -3.516 5.475
254 H GLY 37 H GLY 37 -3.779 -2.287 10.063
255 HA2 GLY 37 1HA GLY 37 -3.786 -4.217 11.924
256 HA3 GLY 37 2HA GLY 37 -4.455 -2.627 12.259
257 H GLU 38 H GLU 38 -6.775 -2.538 10.941
258 HA GLU 38 HA GLU 38 -8.314 -4.687 12.216
259 HB2 GLU 38 1HB GLU 38 -8.935 -1.845 11.496
260 HB3 GLU 38 2HB GLU 38 -10.243 -3.002 11.696
261 HG2 GLU 38 1HG GLU 38 -9.799 -1.704 13.730
262 HG3 GLU 38 2HG GLU 38 -9.580 -3.437 13.966
263 H LYS 39 H LYS 39 -10.361 -5.313 11.073
264 HA LYS 39 HA LYS 39 -10.168 -5.172 8.157
265 HB2 LYS 39 1HB LYS 39 -8.997 -7.238 8.872
266 HB3 LYS 39 2HB LYS 39 -10.470 -7.772 9.671
267 HG2 LYS 39 1HG LYS 39 -11.610 -7.676 7.446
268 HG3 LYS 39 2HG LYS 39 -10.028 -7.375 6.723
269 HD2 LYS 39 1HD LYS 39 -10.224 -9.668 6.510
270 HD3 LYS 39 2HD LYS 39 -9.325 -9.519 8.022
271 HE2 LYS 39 1HE LYS 39 -11.021 -11.117 8.419
272 HE3 LYS 39 2HE LYS 39 -11.551 -9.633 9.210
273 HZ1 LYS 39 3HZ LYS 39 -13.446 -10.064 8.113
274 HZ2 LYS 39 1HZ LYS 39 -12.698 -11.036 6.947
275 HZ3 LYS 39 2HZ LYS 39 -12.654 -9.351 6.799
276 HA PRO 40 HA PRO 40 -14.510 -4.487 8.671
277 HB2 PRO 40 1HB PRO 40 -15.192 -4.631 6.047
278 HB3 PRO 40 2HB PRO 40 -14.373 -3.232 6.752
279 HG2 PRO 40 1HG PRO 40 -13.223 -5.510 5.187
280 HG3 PRO 40 2HG PRO 40 -12.867 -3.777 5.066
281 HD2 PRO 40 1HD PRO 40 -11.259 -5.506 6.392
282 HD3 PRO 40 2HD PRO 40 -11.454 -3.812 6.887
283 H SER 41 H SER 41 -16.573 -5.546 8.130
284 HA SER 41 HA SER 41 -16.244 -8.454 8.115
285 HB2 SER 41 1HB SER 41 -18.593 -6.706 8.878
286 HB3 SER 41 2HB SER 41 -18.622 -8.469 8.898
287 HG SER 41 HG SER 41 -17.161 -8.482 10.534
288 H GLY 42 H GLY 42 -18.116 -5.899 6.510
289 HA2 GLY 42 1HA GLY 42 -19.698 -7.337 4.810
290 HA3 GLY 42 2HA GLY 42 -18.952 -5.810 4.364
291 HA PRO 43 HA PRO 43 -16.611 -7.835 1.265
292 HB2 PRO 43 1HB PRO 43 -14.337 -6.353 1.248
293 HB3 PRO 43 2HB PRO 43 -15.877 -5.755 0.619
294 HG2 PRO 43 1HG PRO 43 -14.587 -5.243 3.272
295 HG3 PRO 43 2HG PRO 43 -15.414 -4.106 2.192
296 HD2 PRO 43 1HD PRO 43 -16.608 -5.168 4.377
297 HD3 PRO 43 2HD PRO 43 -17.507 -4.756 2.904
298 H SER 44 H SER 44 -14.879 -9.256 0.893
299 HA SER 44 HA SER 44 -13.121 -9.850 3.161
300 HB2 SER 44 1HB SER 44 -14.836 -11.890 1.726
301 HB3 SER 44 2HB SER 44 -13.549 -12.288 2.864
302 HG SER 44 HG SER 44 -15.721 -12.195 3.765
303 H SER 45 H SER 45 -11.100 -10.502 2.605
304 HA SER 45 HA SER 45 -10.156 -9.969 0.014
305 HB2 SER 45 1HB SER 45 -8.924 -10.124 2.354
306 HB3 SER 45 2HB SER 45 -8.607 -11.776 1.823
307 HG SER 45 HG SER 45 -7.629 -10.924 -0.041
308 H GLY 46 H GLY 46 -9.894 -11.193 -1.759
309 HA2 GLY 46 1HA GLY 46 -9.902 -14.092 -1.581
310 HA3 GLY 46 2HA GLY 46 -11.289 -13.390 -2.399
Start of MODEL 17
1 H1 GLY 1 H GLY 1 2.690 16.716 -27.288
2 HA2 GLY 1 1HA GLY 1 1.240 14.392 -27.839
3 HA3 GLY 1 2HA GLY 1 1.189 15.275 -26.321
4 H SER 2 H SER 2 -1.028 13.941 -27.350
5 HA SER 2 HA SER 2 -2.804 16.216 -27.926
6 HB2 SER 2 1HB SER 2 -2.538 13.632 -29.382
7 HB3 SER 2 2HB SER 2 -4.167 14.272 -29.159
8 HG SER 2 HG SER 2 -1.994 15.722 -30.270
9 H SER 3 H SER 3 -2.611 12.867 -26.761
10 HA SER 3 HA SER 3 -4.661 13.530 -24.764
11 HB2 SER 3 1HB SER 3 -5.610 12.193 -26.700
12 HB3 SER 3 2HB SER 3 -4.566 10.867 -26.189
13 HG SER 3 HG SER 3 -6.753 12.026 -24.843
14 H GLY 4 H GLY 4 -4.717 11.860 -22.977
15 HA2 GLY 4 1HA GLY 4 -3.600 10.901 -21.213
16 HA3 GLY 4 2HA GLY 4 -2.709 10.031 -22.454
17 H SER 5 H SER 5 -2.800 13.109 -20.694
18 HA SER 5 HA SER 5 -0.041 13.674 -21.362
19 HB2 SER 5 1HB SER 5 -0.471 15.631 -19.724
20 HB3 SER 5 2HB SER 5 -1.346 15.623 -21.256
21 HG SER 5 HG SER 5 -2.540 14.349 -19.084
22 H SER 6 H SER 6 -1.568 11.751 -19.131
23 HA SER 6 HA SER 6 0.735 11.902 -17.299
24 HB2 SER 6 1HB SER 6 -0.668 11.462 -15.425
25 HB3 SER 6 2HB SER 6 -1.468 12.741 -16.339
26 HG SER 6 HG SER 6 -2.491 10.682 -17.378
27 H GLY 7 H GLY 7 1.923 10.119 -17.326
28 HA2 GLY 7 1HA GLY 7 0.595 7.519 -17.593
29 HA3 GLY 7 2HA GLY 7 1.852 7.926 -18.752
30 H HIS 8 H HIS 8 3.862 8.947 -17.446
31 HA HIS 8 HA HIS 8 5.231 6.894 -16.292
32 HB2 HIS 8 1HB HIS 8 6.797 8.511 -15.441
33 HB3 HIS 8 2HB HIS 8 6.190 9.100 -16.986
34 HD2 HIS 8 HD2 HIS 8 7.016 10.615 -13.778
35 HE1 HIS 8 HE1 HIS 8 3.549 12.732 -15.000
36 HE2 HIS 8 HE2 HIS 8 5.564 12.736 -13.490
37 H GLY 9 H GLY 9 3.253 9.311 -14.606
38 HA2 GLY 9 1HA GLY 9 2.239 7.678 -12.651
39 HA3 GLY 9 2HA GLY 9 3.782 8.220 -12.009
40 H GLU 10 H GLU 10 2.431 9.175 -10.315
41 HA GLU 10 HA GLU 10 1.403 11.806 -11.150
42 HB2 GLU 10 1HB GLU 10 0.301 10.008 -8.984
43 HB3 GLU 10 2HB GLU 10 -0.238 11.651 -9.298
44 HG2 GLU 10 1HG GLU 10 -0.488 9.282 -11.133
45 HG3 GLU 10 2HG GLU 10 -1.787 10.113 -10.279
46 H ARG 11 H ARG 11 1.231 13.302 -9.151
47 HA ARG 11 HA ARG 11 3.831 13.201 -7.807
48 HB2 ARG 11 1HB ARG 11 3.426 15.248 -9.000
49 HB3 ARG 11 2HB ARG 11 1.857 15.446 -8.231
50 HG2 ARG 11 1HG ARG 11 2.776 16.113 -6.221
51 HG3 ARG 11 2HG ARG 11 4.332 15.355 -6.565
52 HD2 ARG 11 1HD ARG 11 4.642 17.704 -6.752
53 HD3 ARG 11 2HD ARG 11 4.644 17.048 -8.389
54 HE ARG 11 HE ARG 11 2.045 17.789 -7.906
55 HH11 ARG 11 1HH1 ARG 11 5.144 19.376 -7.915
56 HH12 ARG 11 2HH1 ARG 11 4.501 20.915 -8.383
57 HH21 ARG 11 1HH2 ARG 11 1.187 19.810 -8.523
58 HH22 ARG 11 2HH2 ARG 11 2.250 21.161 -8.728
59 H GLY 12 H GLY 12 2.937 11.483 -6.382
60 HA2 GLY 12 1HA GLY 12 2.697 11.946 -3.832
61 HA3 GLY 12 2HA GLY 12 1.105 12.502 -4.324
62 H HIS 13 H HIS 13 0.398 10.817 -2.799
63 HA HIS 13 HA HIS 13 -0.125 8.353 -4.241
64 HB2 HIS 13 1HB HIS 13 1.165 8.317 -1.504
65 HB3 HIS 13 2HB HIS 13 0.592 6.907 -2.392
66 HD2 HIS 13 HD2 HIS 13 3.556 9.466 -2.504
67 HE1 HIS 13 HE1 HIS 13 4.452 6.212 -5.074
68 HE2 HIS 13 HE2 HIS 13 5.345 8.280 -3.947
69 H ARG 14 H ARG 14 -2.264 8.226 -4.163
70 HA ARG 14 HA ARG 14 -3.683 9.205 -1.798
71 HB2 ARG 14 1HB ARG 14 -4.474 10.080 -3.911
72 HB3 ARG 14 2HB ARG 14 -4.659 8.455 -4.557
73 HG2 ARG 14 1HG ARG 14 -6.270 8.199 -2.477
74 HG3 ARG 14 2HG ARG 14 -6.373 9.952 -2.656
75 HD2 ARG 14 1HD ARG 14 -8.144 8.869 -3.913
76 HD3 ARG 14 2HD ARG 14 -7.012 9.663 -5.007
77 HE ARG 14 HE ARG 14 -6.406 6.895 -4.568
78 HH11 ARG 14 1HH1 ARG 14 -8.333 9.127 -6.419
79 HH12 ARG 14 2HH1 ARG 14 -8.533 8.046 -7.758
80 HH21 ARG 14 1HH2 ARG 14 -6.662 5.463 -6.325
81 HH22 ARG 14 2HH2 ARG 14 -7.583 5.962 -7.704
82 H CYS 15 H CYS 15 -4.929 7.929 -0.512
83 HA CYS 15 HA CYS 15 -4.470 5.078 -0.675
84 HB2 CYS 15 1HB CYS 15 -4.319 6.082 1.506
85 HB3 CYS 15 2HB CYS 15 -5.918 6.801 1.342
86 H SER 16 H SER 16 -6.159 3.494 -0.625
87 HA SER 16 HA SER 16 -8.540 4.368 -2.110
88 HB2 SER 16 1HB SER 16 -7.014 2.643 -3.142
89 HB3 SER 16 2HB SER 16 -7.483 1.548 -1.842
90 HG SER 16 HG SER 16 -9.286 2.788 -3.651
91 H ASP 17 H ASP 17 -7.453 2.727 0.767
92 HA ASP 17 HA ASP 17 -9.840 1.509 1.566
93 HB2 ASP 17 1HB ASP 17 -7.443 2.533 3.056
94 HB3 ASP 17 2HB ASP 17 -8.834 1.905 3.935
95 H CYS 18 H CYS 18 -8.544 4.710 2.440
96 HA CYS 18 HA CYS 18 -11.231 5.464 3.369
97 HB2 CYS 18 1HB CYS 18 -10.038 7.345 4.529
98 HB3 CYS 18 2HB CYS 18 -9.603 5.740 5.107
99 H GLY 19 H GLY 19 -8.477 6.617 1.449
100 HA2 GLY 19 1HA GLY 19 -8.887 7.621 -0.714
101 HA3 GLY 19 2HA GLY 19 -10.372 8.297 -0.061
102 H LYS 20 H LYS 20 -7.077 8.297 1.263
103 HA LYS 20 HA LYS 20 -7.273 11.206 1.545
104 HB2 LYS 20 1HB LYS 20 -5.789 9.053 2.957
105 HB3 LYS 20 2HB LYS 20 -5.011 10.627 2.859
106 HG2 LYS 20 1HG LYS 20 -6.941 11.665 3.916
107 HG3 LYS 20 2HG LYS 20 -7.755 10.100 3.985
108 HD2 LYS 20 1HD LYS 20 -6.874 10.160 6.091
109 HD3 LYS 20 2HD LYS 20 -5.526 9.407 5.236
110 HE2 LYS 20 1HE LYS 20 -4.648 11.142 6.628
111 HE3 LYS 20 2HE LYS 20 -4.532 11.675 4.952
112 HZ1 LYS 20 3HZ LYS 20 -6.540 12.523 6.965
113 HZ2 LYS 20 1HZ LYS 20 -6.638 12.911 5.321
114 HZ3 LYS 20 2HZ LYS 20 -5.342 13.477 6.249
115 H PHE 21 H PHE 21 -4.779 12.094 1.566
116 HA PHE 21 HA PHE 21 -3.472 11.171 -0.890
117 HB2 PHE 21 1HB PHE 21 -4.994 13.100 -1.412
118 HB3 PHE 21 2HB PHE 21 -4.026 14.088 -0.323
119 HD1 PHE 21 HD1 PHE 21 -3.940 12.147 -3.463
120 HD2 PHE 21 HD2 PHE 21 -1.987 15.036 -1.022
121 HE1 PHE 21 HE1 PHE 21 -2.398 12.662 -5.311
122 HE2 PHE 21 HE2 PHE 21 -0.444 15.556 -2.866
123 HZ PHE 21 HZ PHE 21 -0.648 14.369 -5.014
124 H PHE 22 H PHE 22 -1.251 11.704 -1.052
125 HA PHE 22 HA PHE 22 0.023 12.983 1.228
126 HB2 PHE 22 1HB PHE 22 0.724 10.154 0.415
127 HB3 PHE 22 2HB PHE 22 1.524 11.105 1.662
128 HD1 PHE 22 HD2 PHE 22 -1.898 9.929 0.753
129 HD2 PHE 22 HD1 PHE 22 0.916 10.741 3.842
130 HE1 PHE 22 HE2 PHE 22 -3.487 9.068 2.422
131 HE2 PHE 22 HE1 PHE 22 -0.669 9.880 5.516
132 HZ PHE 22 HZ PHE 22 -2.874 9.043 4.807
133 H LEU 23 H LEU 23 2.462 13.077 0.874
134 HA LEU 23 HA LEU 23 3.019 13.410 -2.001
135 HB2 LEU 23 1HB LEU 23 3.826 15.106 0.345
136 HB3 LEU 23 2HB LEU 23 4.640 15.204 -1.215
137 HG LEU 23 HG LEU 23 2.988 16.993 -0.905
138 HD11 LEU 23 1HD1 LEU 23 1.861 15.193 -3.003
139 HD12 LEU 23 2HD1 LEU 23 3.517 15.780 -3.145
140 HD13 LEU 23 3HD1 LEU 23 2.180 16.926 -3.061
141 HD21 LEU 23 3HD2 LEU 23 0.855 16.669 -0.278
142 HD22 LEU 23 1HD2 LEU 23 1.460 15.133 0.342
143 HD23 LEU 23 2HD2 LEU 23 0.685 15.200 -1.240
144 H GLN 24 H GLN 24 4.313 12.547 1.159
145 HA GLN 24 HA GLN 24 6.786 11.588 -0.070
146 HB2 GLN 24 1HB GLN 24 6.043 11.628 2.858
147 HB3 GLN 24 2HB GLN 24 7.643 11.368 2.174
148 HG2 GLN 24 1HG GLN 24 7.176 13.752 1.124
149 HG3 GLN 24 2HG GLN 24 6.109 13.879 2.522
150 HE21 GLN 24 1HE2 GLN 24 6.963 14.220 4.493
151 HE22 GLN 24 2HE2 GLN 24 8.654 14.365 4.814
152 H ALA 25 H ALA 25 6.714 9.601 -0.879
153 HA ALA 25 HA ALA 25 4.926 7.639 -0.722
154 HB1 ALA 25 3HB ALA 25 7.912 7.446 -0.780
155 HB2 ALA 25 1HB ALA 25 6.913 5.992 -0.790
156 HB3 ALA 25 2HB ALA 25 6.751 7.183 -2.081
157 H SER 26 H SER 26 7.653 7.755 1.582
158 HA SER 26 HA SER 26 6.980 5.709 3.246
159 HB2 SER 26 1HB SER 26 8.105 6.974 5.069
160 HB3 SER 26 2HB SER 26 9.018 6.998 3.560
161 HG SER 26 HG SER 26 7.503 9.059 4.749
162 H ASN 27 H ASN 27 5.907 9.083 3.684
163 HA ASN 27 HA ASN 27 4.237 8.679 5.859
164 HB2 ASN 27 1HB ASN 27 3.834 10.645 3.593
165 HB3 ASN 27 2HB ASN 27 3.115 10.756 5.197
166 HD21 ASN 27 1HD2 ASN 27 4.037 12.644 5.811
167 HD22 ASN 27 2HD2 ASN 27 5.736 12.853 6.052
168 H PHE 28 H PHE 28 3.703 8.015 2.476
169 HA PHE 28 HA PHE 28 0.870 7.608 2.747
170 HB2 PHE 28 1HB PHE 28 1.564 8.298 0.596
171 HB3 PHE 28 2HB PHE 28 2.850 7.097 0.537
172 HD1 PHE 28 HD2 PHE 28 -0.747 7.674 0.183
173 HD2 PHE 28 HD1 PHE 28 2.398 4.818 -0.076
174 HE1 PHE 28 HE2 PHE 28 -2.247 6.136 -1.015
175 HE2 PHE 28 HE1 PHE 28 0.903 3.275 -1.276
176 HZ PHE 28 HZ PHE 28 -1.423 3.933 -1.746
177 H ILE 29 H ILE 29 3.752 5.637 2.868
178 HA ILE 29 HA ILE 29 2.421 3.121 2.680
179 HB ILE 29 HB ILE 29 5.136 3.738 3.852
180 HG12 ILE 29 1HG1 ILE 29 4.466 2.757 1.073
181 HG13 ILE 29 2HG1 ILE 29 4.774 4.447 1.459
182 HG21 ILE 29 1HG2 ILE 29 5.625 1.391 3.476
183 HG22 ILE 29 2HG2 ILE 29 4.223 1.562 4.530
184 HG23 ILE 29 3HG2 ILE 29 4.003 1.136 2.833
185 HD11 ILE 29 3HD1 ILE 29 6.835 2.545 2.339
186 HD12 ILE 29 1HD1 ILE 29 6.651 2.735 0.596
187 HD13 ILE 29 2HD1 ILE 29 6.993 4.140 1.606
188 H GLN 30 H GLN 30 3.778 4.964 5.407
189 HA GLN 30 HA GLN 30 2.992 3.141 7.409
190 HB2 GLN 30 1HB GLN 30 3.299 6.108 7.826
191 HB3 GLN 30 2HB GLN 30 3.596 4.812 8.977
192 HG2 GLN 30 1HG GLN 30 5.419 4.073 7.292
193 HG3 GLN 30 2HG GLN 30 5.271 5.720 6.680
194 HE21 GLN 30 1HE2 GLN 30 7.009 6.756 7.375
195 HE22 GLN 30 2HE2 GLN 30 7.568 6.804 9.009
196 H HIS 31 H HIS 31 1.101 4.969 5.410
197 HA HIS 31 HA HIS 31 -1.004 5.434 7.389
198 HB2 HIS 31 1HB HIS 31 -0.837 7.337 6.071
199 HB3 HIS 31 2HB HIS 31 -0.488 6.420 4.609
200 HD1 HIS 31 HD1 HIS 31 -3.348 7.508 6.788
201 HD2 HIS 31 HD2 HIS 31 -2.702 5.663 3.123
202 HE1 HIS 31 HE1 HIS 31 -5.597 7.440 5.664
203 H ARG 32 H ARG 32 -0.296 3.564 4.497
204 HA ARG 32 HA ARG 32 -2.895 2.488 4.150
205 HB2 ARG 32 1HB ARG 32 -0.229 1.351 3.287
206 HB3 ARG 32 2HB ARG 32 -1.804 0.850 2.685
207 HG2 ARG 32 1HG ARG 32 -1.068 3.717 2.452
208 HG3 ARG 32 2HG ARG 32 -0.289 2.560 1.371
209 HD2 ARG 32 1HD ARG 32 -3.271 2.771 1.738
210 HD3 ARG 32 2HD ARG 32 -2.379 3.609 0.470
211 HE ARG 32 HE ARG 32 -1.648 1.010 0.169
212 HH11 ARG 32 1HH1 ARG 32 -4.704 2.671 0.318
213 HH12 ARG 32 2HH1 ARG 32 -5.516 1.541 -0.714
214 HH21 ARG 32 1HH2 ARG 32 -2.706 -0.484 -1.191
215 HH22 ARG 32 2HH2 ARG 32 -4.379 -0.254 -1.571
216 H ARG 33 H ARG 33 -0.536 1.942 6.495
217 HA ARG 33 HA ARG 33 -1.023 -0.828 6.990
218 HB2 ARG 33 1HB ARG 33 -0.087 0.711 9.286
219 HB3 ARG 33 2HB ARG 33 0.668 -0.643 8.457
220 HG2 ARG 33 1HG ARG 33 1.168 1.184 6.632
221 HG3 ARG 33 2HG ARG 33 0.986 2.275 8.007
222 HD2 ARG 33 1HD ARG 33 2.686 -0.131 8.367
223 HD3 ARG 33 2HD ARG 33 3.317 1.172 7.361
224 HE ARG 33 HE ARG 33 2.296 1.995 9.937
225 HH11 ARG 33 1HH1 ARG 33 5.069 0.972 8.098
226 HH12 ARG 33 2HH1 ARG 33 6.216 1.673 9.191
227 HH21 ARG 33 1HH2 ARG 33 3.796 2.922 11.384
228 HH22 ARG 33 2HH2 ARG 33 5.491 2.781 11.060
229 H ILE 34 H ILE 34 -2.167 2.194 8.451
230 HA ILE 34 HA ILE 34 -3.570 1.375 10.607
231 HB ILE 34 HB ILE 34 -4.923 3.258 10.437
232 HG12 ILE 34 1HG1 ILE 34 -4.621 3.159 7.427
233 HG13 ILE 34 2HG1 ILE 34 -6.027 2.591 8.321
234 HG21 ILE 34 1HG2 ILE 34 -3.033 4.451 8.566
235 HG22 ILE 34 2HG2 ILE 34 -3.329 4.815 10.265
236 HG23 ILE 34 3HG2 ILE 34 -2.258 3.486 9.822
237 HD11 ILE 34 3HD1 ILE 34 -6.537 4.807 9.047
238 HD12 ILE 34 1HD1 ILE 34 -5.031 5.427 8.372
239 HD13 ILE 34 2HD1 ILE 34 -6.299 4.832 7.300
240 H HIS 35 H HIS 35 -4.482 0.882 7.249
241 HA HIS 35 HA HIS 35 -7.053 -0.244 7.930
242 HB2 HIS 35 1HB HIS 35 -5.673 -0.399 5.252
243 HB3 HIS 35 2HB HIS 35 -7.399 -0.496 5.588
244 HD1 HIS 35 HD1 HIS 35 -8.531 1.800 6.401
245 HD2 HIS 35 HD2 HIS 35 -4.737 2.115 4.736
246 HE1 HIS 35 HE1 HIS 35 -8.253 4.230 5.815
247 H THR 36 H THR 36 -3.831 -1.379 7.261
248 HA THR 36 HA THR 36 -4.449 -4.075 6.687
249 HB THR 36 HB THR 36 -2.123 -4.563 7.084
250 HG1 THR 36 HG1 THR 36 -0.770 -3.033 8.089
251 HG21 THR 36 3HG2 THR 36 -2.165 -3.559 5.029
252 HG22 THR 36 1HG2 THR 36 -1.115 -2.424 5.876
253 HG23 THR 36 2HG2 THR 36 -2.824 -2.049 5.656
254 H GLY 37 H GLY 37 -5.502 -5.402 8.013
255 HA2 GLY 37 1HA GLY 37 -4.663 -5.483 10.837
256 HA3 GLY 37 2HA GLY 37 -6.371 -5.422 10.428
257 H GLU 38 H GLU 38 -6.316 -7.441 11.754
258 HA GLU 38 HA GLU 38 -5.157 -9.775 10.503
259 HB2 GLU 38 1HB GLU 38 -5.384 -9.385 13.018
260 HB3 GLU 38 2HB GLU 38 -7.090 -9.755 12.815
261 HG2 GLU 38 1HG GLU 38 -6.167 -11.909 11.648
262 HG3 GLU 38 2HG GLU 38 -4.722 -11.540 12.588
263 H LYS 39 H LYS 39 -6.178 -11.280 9.300
264 HA LYS 39 HA LYS 39 -9.091 -11.090 8.990
265 HB2 LYS 39 1HB LYS 39 -8.805 -11.450 6.534
266 HB3 LYS 39 2HB LYS 39 -8.221 -9.891 7.100
267 HG2 LYS 39 1HG LYS 39 -6.278 -12.128 6.935
268 HG3 LYS 39 2HG LYS 39 -6.827 -11.384 5.432
269 HD2 LYS 39 1HD LYS 39 -5.864 -9.697 7.714
270 HD3 LYS 39 2HD LYS 39 -4.717 -10.444 6.599
271 HE2 LYS 39 1HE LYS 39 -6.991 -8.625 5.809
272 HE3 LYS 39 2HE LYS 39 -5.302 -8.140 5.952
273 HZ1 LYS 39 3HZ LYS 39 -5.099 -10.228 4.306
274 HZ2 LYS 39 1HZ LYS 39 -5.273 -8.631 3.776
275 HZ3 LYS 39 2HZ LYS 39 -6.623 -9.646 3.858
276 HA PRO 40 HA PRO 40 -8.826 -15.459 9.586
277 HB2 PRO 40 1HB PRO 40 -11.348 -16.090 8.801
278 HB3 PRO 40 2HB PRO 40 -10.988 -15.323 10.352
279 HG2 PRO 40 1HG PRO 40 -11.952 -14.082 7.804
280 HG3 PRO 40 2HG PRO 40 -12.479 -13.772 9.468
281 HD2 PRO 40 1HD PRO 40 -10.761 -12.141 8.155
282 HD3 PRO 40 2HD PRO 40 -10.686 -12.392 9.911
283 H SER 41 H SER 41 -8.386 -17.258 8.388
284 HA SER 41 HA SER 41 -8.067 -16.891 5.541
285 HB2 SER 41 1HB SER 41 -6.814 -18.924 5.574
286 HB3 SER 41 2HB SER 41 -6.381 -18.050 7.043
287 HG SER 41 HG SER 41 -8.320 -20.118 6.885
288 H GLY 42 H GLY 42 -9.535 -17.415 4.070
289 HA2 GLY 42 1HA GLY 42 -10.833 -19.463 3.289
290 HA3 GLY 42 2HA GLY 42 -11.655 -19.319 4.836
291 HA PRO 43 HA PRO 43 -14.598 -16.539 3.169
292 HB2 PRO 43 1HB PRO 43 -14.852 -14.637 5.090
293 HB3 PRO 43 2HB PRO 43 -15.462 -16.284 5.283
294 HG2 PRO 43 1HG PRO 43 -12.928 -15.069 6.315
295 HG3 PRO 43 2HG PRO 43 -14.069 -16.147 7.140
296 HD2 PRO 43 1HD PRO 43 -11.744 -17.030 6.070
297 HD3 PRO 43 2HD PRO 43 -13.207 -18.034 6.136
298 H SER 44 H SER 44 -11.628 -15.039 4.330
299 HA SER 44 HA SER 44 -11.837 -12.479 3.390
300 HB2 SER 44 1HB SER 44 -9.358 -12.546 3.074
301 HB3 SER 44 2HB SER 44 -9.884 -13.200 4.625
302 HG SER 44 HG SER 44 -9.387 -15.199 3.974
303 H SER 45 H SER 45 -10.761 -11.503 1.450
304 HA SER 45 HA SER 45 -11.357 -13.118 -0.942
305 HB2 SER 45 1HB SER 45 -12.862 -11.133 -0.503
306 HB3 SER 45 2HB SER 45 -11.455 -10.102 -0.764
307 HG SER 45 HG SER 45 -13.016 -10.810 -2.605
308 H GLY 46 H GLY 46 -9.665 -13.614 -2.161
309 HA2 GLY 46 1HA GLY 46 -7.422 -11.713 -2.311
310 HA3 GLY 46 2HA GLY 46 -7.104 -13.397 -1.922
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -10.172 19.665 -26.811
2 HA2 GLY 1 1HA GLY 1 -10.603 21.583 -24.611
3 HA3 GLY 1 2HA GLY 1 -11.111 19.908 -24.456
4 H SER 2 H SER 2 -9.614 20.354 -22.508
5 HA SER 2 HA SER 2 -6.896 19.509 -23.268
6 HB2 SER 2 1HB SER 2 -5.920 20.882 -21.624
7 HB3 SER 2 2HB SER 2 -7.151 21.910 -22.358
8 HG SER 2 HG SER 2 -7.830 22.131 -20.384
9 H SER 3 H SER 3 -5.898 17.980 -21.958
10 HA SER 3 HA SER 3 -7.723 16.288 -20.483
11 HB2 SER 3 1HB SER 3 -6.058 15.316 -22.038
12 HB3 SER 3 2HB SER 3 -4.762 15.935 -21.014
13 HG SER 3 HG SER 3 -6.758 14.066 -20.247
14 H GLY 4 H GLY 4 -4.621 17.908 -19.790
15 HA2 GLY 4 1HA GLY 4 -5.086 19.123 -17.461
16 HA3 GLY 4 2HA GLY 4 -4.989 17.447 -16.939
17 H SER 5 H SER 5 -3.201 20.000 -18.617
18 HA SER 5 HA SER 5 -0.724 18.718 -18.761
19 HB2 SER 5 1HB SER 5 -1.331 21.670 -18.461
20 HB3 SER 5 2HB SER 5 0.233 21.004 -18.934
21 HG SER 5 HG SER 5 -1.286 19.890 -20.604
22 H SER 6 H SER 6 -2.093 20.773 -16.215
23 HA SER 6 HA SER 6 -0.016 21.117 -14.514
24 HB2 SER 6 1HB SER 6 -2.259 21.950 -14.023
25 HB3 SER 6 2HB SER 6 -2.829 20.306 -13.738
26 HG SER 6 HG SER 6 -1.043 20.305 -12.084
27 H GLY 7 H GLY 7 -2.177 18.276 -14.349
28 HA2 GLY 7 1HA GLY 7 -0.424 16.875 -12.572
29 HA3 GLY 7 2HA GLY 7 -1.849 16.217 -13.361
30 H HIS 8 H HIS 8 1.587 16.603 -13.501
31 HA HIS 8 HA HIS 8 1.812 15.369 -16.116
32 HB2 HIS 8 1HB HIS 8 3.786 16.441 -14.118
33 HB3 HIS 8 2HB HIS 8 4.323 15.452 -15.473
34 HD2 HIS 8 HD2 HIS 8 4.290 18.998 -14.805
35 HE1 HIS 8 HE1 HIS 8 3.033 18.801 -18.852
36 HE2 HIS 8 HE2 HIS 8 3.995 20.264 -17.042
37 H GLY 9 H GLY 9 1.424 13.251 -16.241
38 HA2 GLY 9 1HA GLY 9 1.586 10.995 -15.849
39 HA3 GLY 9 2HA GLY 9 3.086 11.351 -15.007
40 H GLU 10 H GLU 10 2.924 12.021 -12.740
41 HA GLU 10 HA GLU 10 0.442 11.327 -11.385
42 HB2 GLU 10 1HB GLU 10 1.417 9.680 -9.950
43 HB3 GLU 10 2HB GLU 10 1.770 9.214 -11.608
44 HG2 GLU 10 1HG GLU 10 3.780 10.843 -10.155
45 HG3 GLU 10 2HG GLU 10 3.606 9.144 -9.722
46 H ARG 11 H ARG 11 0.734 11.652 -8.936
47 HA ARG 11 HA ARG 11 2.801 13.452 -8.096
48 HB2 ARG 11 1HB ARG 11 0.974 14.783 -9.458
49 HB3 ARG 11 2HB ARG 11 0.073 14.664 -7.952
50 HG2 ARG 11 1HG ARG 11 2.709 16.015 -8.436
51 HG3 ARG 11 2HG ARG 11 1.192 16.731 -7.886
52 HD2 ARG 11 1HD ARG 11 1.412 15.208 -5.851
53 HD3 ARG 11 2HD ARG 11 3.072 14.937 -6.377
54 HE ARG 11 HE ARG 11 3.597 16.967 -5.496
55 HH11 ARG 11 1HH1 ARG 11 0.194 16.940 -6.232
56 HH12 ARG 11 2HH1 ARG 11 -0.094 18.517 -5.575
57 HH21 ARG 11 1HH2 ARG 11 3.230 19.045 -4.628
58 HH22 ARG 11 2HH2 ARG 11 1.634 19.714 -4.664
59 H GLY 12 H GLY 12 3.201 12.799 -6.093
60 HA2 GLY 12 1HA GLY 12 2.873 12.189 -3.901
61 HA3 GLY 12 2HA GLY 12 1.226 12.781 -4.057
62 H HIS 13 H HIS 13 0.687 10.959 -2.666
63 HA HIS 13 HA HIS 13 0.102 8.590 -4.271
64 HB2 HIS 13 1HB HIS 13 1.422 8.457 -1.552
65 HB3 HIS 13 2HB HIS 13 0.843 7.075 -2.478
66 HD2 HIS 13 HD2 HIS 13 3.683 9.797 -2.778
67 HE1 HIS 13 HE1 HIS 13 4.741 6.391 -5.075
68 HE2 HIS 13 HE2 HIS 13 5.515 8.608 -4.163
69 H ARG 14 H ARG 14 -2.035 8.435 -4.191
70 HA ARG 14 HA ARG 14 -3.470 9.318 -1.806
71 HB2 ARG 14 1HB ARG 14 -4.304 10.164 -3.912
72 HB3 ARG 14 2HB ARG 14 -4.431 8.534 -4.560
73 HG2 ARG 14 1HG ARG 14 -6.014 8.236 -2.448
74 HG3 ARG 14 2HG ARG 14 -6.203 9.975 -2.680
75 HD2 ARG 14 1HD ARG 14 -7.919 8.739 -3.892
76 HD3 ARG 14 2HD ARG 14 -6.854 9.599 -5.003
77 HE ARG 14 HE ARG 14 -5.741 7.142 -4.874
78 HH11 ARG 14 1HH1 ARG 14 -8.980 8.259 -5.490
79 HH12 ARG 14 2HH1 ARG 14 -9.383 6.925 -6.520
80 HH21 ARG 14 1HH2 ARG 14 -6.260 5.382 -6.228
81 HH22 ARG 14 2HH2 ARG 14 -7.836 5.289 -6.938
82 H CYS 15 H CYS 15 -4.875 8.008 -0.642
83 HA CYS 15 HA CYS 15 -4.230 5.176 -0.727
84 HB2 CYS 15 1HB CYS 15 -4.201 6.211 1.448
85 HB3 CYS 15 2HB CYS 15 -5.829 6.842 1.223
86 H SER 16 H SER 16 -5.958 3.554 -0.525
87 HA SER 16 HA SER 16 -8.289 4.306 -2.162
88 HB2 SER 16 1HB SER 16 -8.325 2.085 -3.043
89 HB3 SER 16 2HB SER 16 -6.648 2.627 -3.120
90 HG SER 16 HG SER 16 -7.722 1.064 -1.010
91 H ASP 17 H ASP 17 -7.208 2.716 0.750
92 HA ASP 17 HA ASP 17 -9.574 1.424 1.498
93 HB2 ASP 17 1HB ASP 17 -7.356 2.618 3.166
94 HB3 ASP 17 2HB ASP 17 -8.669 1.660 3.846
95 H CYS 18 H CYS 18 -8.402 4.676 2.348
96 HA CYS 18 HA CYS 18 -11.128 5.345 3.233
97 HB2 CYS 18 1HB CYS 18 -10.026 7.256 4.425
98 HB3 CYS 18 2HB CYS 18 -9.539 5.666 5.005
99 H GLY 19 H GLY 19 -8.358 6.595 1.392
100 HA2 GLY 19 1HA GLY 19 -8.805 7.555 -0.806
101 HA3 GLY 19 2HA GLY 19 -10.266 8.258 -0.129
102 H LYS 20 H LYS 20 -7.107 8.223 1.425
103 HA LYS 20 HA LYS 20 -7.196 11.129 1.587
104 HB2 LYS 20 1HB LYS 20 -5.767 8.956 3.024
105 HB3 LYS 20 2HB LYS 20 -4.952 10.511 2.921
106 HG2 LYS 20 1HG LYS 20 -6.955 11.580 3.900
107 HG3 LYS 20 2HG LYS 20 -7.674 9.980 4.093
108 HD2 LYS 20 1HD LYS 20 -6.746 10.233 6.165
109 HD3 LYS 20 2HD LYS 20 -5.381 9.495 5.323
110 HE2 LYS 20 1HE LYS 20 -4.341 11.624 5.005
111 HE3 LYS 20 2HE LYS 20 -5.771 12.471 5.595
112 HZ1 LYS 20 3HZ LYS 20 -4.119 10.634 7.241
113 HZ2 LYS 20 1HZ LYS 20 -5.401 11.599 7.777
114 HZ3 LYS 20 2HZ LYS 20 -3.965 12.318 7.246
115 H PHE 21 H PHE 21 -4.814 12.106 1.528
116 HA PHE 21 HA PHE 21 -3.448 11.103 -0.873
117 HB2 PHE 21 1HB PHE 21 -4.961 13.023 -1.435
118 HB3 PHE 21 2HB PHE 21 -4.011 14.027 -0.346
119 HD1 PHE 21 HD1 PHE 21 -3.943 12.124 -3.497
120 HD2 PHE 21 HD2 PHE 21 -1.903 14.900 -0.996
121 HE1 PHE 21 HE1 PHE 21 -2.381 12.624 -5.331
122 HE2 PHE 21 HE2 PHE 21 -0.339 15.405 -2.826
123 HZ PHE 21 HZ PHE 21 -0.577 14.267 -4.997
124 H PHE 22 H PHE 22 -1.226 11.616 -1.024
125 HA PHE 22 HA PHE 22 0.041 12.939 1.235
126 HB2 PHE 22 1HB PHE 22 0.728 10.087 0.499
127 HB3 PHE 22 2HB PHE 22 1.524 11.062 1.729
128 HD1 PHE 22 HD2 PHE 22 -1.900 9.891 0.818
129 HD2 PHE 22 HD1 PHE 22 0.895 10.751 3.911
130 HE1 PHE 22 HE2 PHE 22 -3.509 9.081 2.493
131 HE2 PHE 22 HE1 PHE 22 -0.710 9.941 5.591
132 HZ PHE 22 HZ PHE 22 -2.916 9.106 4.883
133 H LEU 23 H LEU 23 2.505 12.945 0.896
134 HA LEU 23 HA LEU 23 3.079 13.219 -1.981
135 HB2 LEU 23 1HB LEU 23 3.919 14.967 0.319
136 HB3 LEU 23 2HB LEU 23 4.688 15.031 -1.266
137 HG LEU 23 HG LEU 23 3.050 16.830 -0.947
138 HD11 LEU 23 1HD1 LEU 23 3.420 15.301 -3.155
139 HD12 LEU 23 2HD1 LEU 23 2.452 16.774 -3.108
140 HD13 LEU 23 3HD1 LEU 23 1.670 15.201 -2.959
141 HD21 LEU 23 3HD2 LEU 23 1.560 15.045 0.410
142 HD22 LEU 23 1HD2 LEU 23 0.752 14.996 -1.156
143 HD23 LEU 23 2HD2 LEU 23 0.912 16.527 -0.295
144 H GLN 24 H GLN 24 4.311 12.396 1.207
145 HA GLN 24 HA GLN 24 6.790 11.384 0.025
146 HB2 GLN 24 1HB GLN 24 6.014 11.614 2.937
147 HB3 GLN 24 2HB GLN 24 7.603 11.188 2.315
148 HG2 GLN 24 1HG GLN 24 6.374 13.782 1.520
149 HG3 GLN 24 2HG GLN 24 7.094 13.614 3.120
150 HE21 GLN 24 1HE2 GLN 24 9.312 12.408 2.968
151 HE22 GLN 24 2HE2 GLN 24 10.398 13.059 1.793
152 H ALA 25 H ALA 25 6.750 9.356 -0.668
153 HA ALA 25 HA ALA 25 4.896 7.431 -0.412
154 HB1 ALA 25 3HB ALA 25 7.005 5.811 -0.382
155 HB2 ALA 25 1HB ALA 25 6.554 6.748 -1.806
156 HB3 ALA 25 2HB ALA 25 7.839 7.322 -0.743
157 H SER 26 H SER 26 7.733 7.547 1.756
158 HA SER 26 HA SER 26 7.149 5.579 3.512
159 HB2 SER 26 1HB SER 26 8.200 7.064 5.300
160 HB3 SER 26 2HB SER 26 9.157 6.808 3.842
161 HG SER 26 HG SER 26 7.814 8.891 3.254
162 H ASN 27 H ASN 27 5.974 8.928 3.864
163 HA ASN 27 HA ASN 27 4.352 8.478 6.095
164 HB2 ASN 27 1HB ASN 27 4.079 10.519 3.878
165 HB3 ASN 27 2HB ASN 27 3.163 10.560 5.382
166 HD21 ASN 27 1HD2 ASN 27 3.956 11.844 6.867
167 HD22 ASN 27 2HD2 ASN 27 5.616 12.282 7.062
168 H PHE 28 H PHE 28 3.741 8.037 2.668
169 HA PHE 28 HA PHE 28 0.931 7.618 2.928
170 HB2 PHE 28 1HB PHE 28 1.634 8.285 0.783
171 HB3 PHE 28 2HB PHE 28 2.931 7.095 0.742
172 HD1 PHE 28 HD1 PHE 28 2.449 4.745 0.280
173 HD2 PHE 28 HD2 PHE 28 -0.606 7.707 0.179
174 HE1 PHE 28 HE1 PHE 28 0.985 3.189 -0.942
175 HE2 PHE 28 HE2 PHE 28 -2.075 6.156 -1.041
176 HZ PHE 28 HZ PHE 28 -1.280 3.893 -1.603
177 H ILE 29 H ILE 29 3.763 5.564 3.036
178 HA ILE 29 HA ILE 29 2.408 3.082 2.811
179 HB ILE 29 HB ILE 29 5.071 3.689 4.102
180 HG12 ILE 29 1HG1 ILE 29 4.373 2.756 1.309
181 HG13 ILE 29 2HG1 ILE 29 4.994 4.344 1.745
182 HG21 ILE 29 1HG2 ILE 29 5.399 1.494 4.448
183 HG22 ILE 29 2HG2 ILE 29 3.638 1.407 4.403
184 HG23 ILE 29 3HG2 ILE 29 4.576 1.032 2.958
185 HD11 ILE 29 3HD1 ILE 29 6.446 2.061 1.025
186 HD12 ILE 29 1HD1 ILE 29 7.070 3.614 1.581
187 HD13 ILE 29 2HD1 ILE 29 6.751 2.325 2.742
188 H GLN 30 H GLN 30 3.783 4.741 5.656
189 HA GLN 30 HA GLN 30 2.813 2.963 7.577
190 HB2 GLN 30 1HB GLN 30 3.215 5.929 7.972
191 HB3 GLN 30 2HB GLN 30 3.280 4.673 9.202
192 HG2 GLN 30 1HG GLN 30 5.206 3.739 7.681
193 HG3 GLN 30 2HG GLN 30 5.281 5.413 7.134
194 HE21 GLN 30 1HE2 GLN 30 6.551 6.712 8.239
195 HE22 GLN 30 2HE2 GLN 30 7.090 6.472 9.862
196 H HIS 31 H HIS 31 1.085 4.991 5.558
197 HA HIS 31 HA HIS 31 -1.110 5.438 7.422
198 HB2 HIS 31 1HB HIS 31 -0.841 7.321 6.087
199 HB3 HIS 31 2HB HIS 31 -0.468 6.375 4.649
200 HD1 HIS 31 HD1 HIS 31 -3.391 7.471 6.762
201 HD2 HIS 31 HD2 HIS 31 -2.629 5.751 3.058
202 HE1 HIS 31 HE1 HIS 31 -5.597 7.469 5.555
203 H ARG 32 H ARG 32 -0.352 3.557 4.540
204 HA ARG 32 HA ARG 32 -2.955 2.514 4.139
205 HB2 ARG 32 1HB ARG 32 -0.278 1.365 3.324
206 HB3 ARG 32 2HB ARG 32 -1.841 0.851 2.704
207 HG2 ARG 32 1HG ARG 32 -1.147 3.723 2.462
208 HG3 ARG 32 2HG ARG 32 -0.304 2.577 1.417
209 HD2 ARG 32 1HD ARG 32 -3.300 2.794 1.679
210 HD3 ARG 32 2HD ARG 32 -2.348 3.524 0.388
211 HE ARG 32 HE ARG 32 -1.975 0.681 0.678
212 HH11 ARG 32 1HH1 ARG 32 -3.837 3.210 -0.826
213 HH12 ARG 32 2HH1 ARG 32 -4.362 2.217 -2.145
214 HH21 ARG 32 1HH2 ARG 32 -2.660 -0.636 -1.054
215 HH22 ARG 32 2HH2 ARG 32 -3.693 0.030 -2.273
216 H ARG 33 H ARG 33 -0.675 1.945 6.546
217 HA ARG 33 HA ARG 33 -1.276 -0.826 7.020
218 HB2 ARG 33 1HB ARG 33 -0.169 0.675 9.274
219 HB3 ARG 33 2HB ARG 33 0.448 -0.758 8.464
220 HG2 ARG 33 1HG ARG 33 0.976 1.070 6.580
221 HG3 ARG 33 2HG ARG 33 1.067 2.090 8.017
222 HD2 ARG 33 1HD ARG 33 3.239 1.057 7.323
223 HD3 ARG 33 2HD ARG 33 2.753 0.712 8.982
224 HE ARG 33 HE ARG 33 1.826 -1.348 7.320
225 HH11 ARG 33 1HH1 ARG 33 4.809 -0.051 8.560
226 HH12 ARG 33 2HH1 ARG 33 5.642 -1.569 8.511
227 HH21 ARG 33 1HH2 ARG 33 2.912 -3.353 7.250
228 HH22 ARG 33 2HH2 ARG 33 4.562 -3.447 7.764
229 H ILE 34 H ILE 34 -2.197 2.268 8.482
230 HA ILE 34 HA ILE 34 -3.569 1.577 10.694
231 HB ILE 34 HB ILE 34 -4.840 3.513 10.512
232 HG12 ILE 34 1HG1 ILE 34 -4.662 3.299 7.499
233 HG13 ILE 34 2HG1 ILE 34 -6.058 2.839 8.467
234 HG21 ILE 34 1HG2 ILE 34 -3.188 4.992 10.232
235 HG22 ILE 34 2HG2 ILE 34 -2.195 3.603 9.794
236 HG23 ILE 34 3HG2 ILE 34 -2.973 4.562 8.535
237 HD11 ILE 34 3HD1 ILE 34 -6.453 5.091 9.105
238 HD12 ILE 34 1HD1 ILE 34 -4.922 5.619 8.408
239 HD13 ILE 34 2HD1 ILE 34 -6.225 5.063 7.357
240 H HIS 35 H HIS 35 -4.592 0.991 7.389
241 HA HIS 35 HA HIS 35 -7.200 0.030 8.171
242 HB2 HIS 35 1HB HIS 35 -5.908 -0.365 5.478
243 HB3 HIS 35 2HB HIS 35 -7.625 -0.279 5.864
244 HD1 HIS 35 HD1 HIS 35 -8.498 2.162 6.598
245 HD2 HIS 35 HD2 HIS 35 -4.776 2.009 4.758
246 HE1 HIS 35 HE1 HIS 35 -8.019 4.516 5.852
247 H THR 36 H THR 36 -4.076 -1.323 7.332
248 HA THR 36 HA THR 36 -4.773 -3.980 6.903
249 HB THR 36 HB THR 36 -2.495 -4.567 7.449
250 HG1 THR 36 HG1 THR 36 -2.659 -2.809 9.306
251 HG21 THR 36 3HG2 THR 36 -2.858 -1.948 6.022
252 HG22 THR 36 1HG2 THR 36 -2.588 -3.550 5.337
253 HG23 THR 36 2HG2 THR 36 -1.274 -2.711 6.161
254 H GLY 37 H GLY 37 -5.998 -5.196 8.194
255 HA2 GLY 37 1HA GLY 37 -5.263 -5.351 11.039
256 HA3 GLY 37 2HA GLY 37 -6.944 -5.089 10.596
257 H GLU 38 H GLU 38 -8.011 -6.758 9.324
258 HA GLU 38 HA GLU 38 -7.780 -9.287 10.405
259 HB2 GLU 38 1HB GLU 38 -9.619 -8.163 8.873
260 HB3 GLU 38 2HB GLU 38 -8.762 -9.018 7.598
261 HG2 GLU 38 1HG GLU 38 -9.136 -11.128 8.707
262 HG3 GLU 38 2HG GLU 38 -9.899 -10.308 10.067
263 H LYS 39 H LYS 39 -6.671 -11.114 9.938
264 HA LYS 39 HA LYS 39 -4.517 -10.872 7.966
265 HB2 LYS 39 1HB LYS 39 -4.153 -11.514 10.445
266 HB3 LYS 39 2HB LYS 39 -4.785 -13.088 9.980
267 HG2 LYS 39 1HG LYS 39 -2.985 -13.517 8.550
268 HG3 LYS 39 2HG LYS 39 -2.492 -11.822 8.522
269 HD2 LYS 39 1HD LYS 39 -2.492 -13.359 11.092
270 HD3 LYS 39 2HD LYS 39 -1.148 -13.516 9.958
271 HE2 LYS 39 1HE LYS 39 -1.181 -10.909 9.998
272 HE3 LYS 39 2HE LYS 39 -2.056 -11.129 11.513
273 HZ1 LYS 39 3HZ LYS 39 0.432 -12.625 11.119
274 HZ2 LYS 39 1HZ LYS 39 -0.242 -12.007 12.543
275 HZ3 LYS 39 2HZ LYS 39 0.543 -10.971 11.460
276 HA PRO 40 HA PRO 40 -6.632 -13.610 5.214
277 HB2 PRO 40 1HB PRO 40 -4.528 -14.184 3.597
278 HB3 PRO 40 2HB PRO 40 -5.383 -12.639 3.548
279 HG2 PRO 40 1HG PRO 40 -2.803 -13.332 4.897
280 HG3 PRO 40 2HG PRO 40 -3.219 -11.891 3.952
281 HD2 PRO 40 1HD PRO 40 -3.198 -11.902 6.659
282 HD3 PRO 40 2HD PRO 40 -4.318 -10.897 5.717
283 H SER 41 H SER 41 -6.464 -15.838 4.397
284 HA SER 41 HA SER 41 -5.583 -17.614 6.481
285 HB2 SER 41 1HB SER 41 -7.053 -17.977 3.882
286 HB3 SER 41 2HB SER 41 -6.458 -19.372 4.782
287 HG SER 41 HG SER 41 -8.524 -17.623 5.372
288 H GLY 42 H GLY 42 -3.287 -16.686 5.963
289 HA2 GLY 42 1HA GLY 42 -1.920 -18.786 4.465
290 HA3 GLY 42 2HA GLY 42 -1.659 -17.135 3.921
291 HA PRO 43 HA PRO 43 1.494 -16.493 6.892
292 HB2 PRO 43 1HB PRO 43 0.955 -14.036 7.914
293 HB3 PRO 43 2HB PRO 43 1.556 -14.282 6.270
294 HG2 PRO 43 1HG PRO 43 -1.246 -13.803 7.211
295 HG3 PRO 43 2HG PRO 43 -0.400 -13.108 5.816
296 HD2 PRO 43 1HD PRO 43 -2.154 -15.158 5.583
297 HD3 PRO 43 2HD PRO 43 -0.748 -14.978 4.514
298 H SER 44 H SER 44 1.346 -17.917 8.561
299 HA SER 44 HA SER 44 -0.033 -16.981 10.967
300 HB2 SER 44 1HB SER 44 -0.315 -19.773 9.831
301 HB3 SER 44 2HB SER 44 -0.909 -19.256 11.409
302 HG SER 44 HG SER 44 -2.150 -17.645 10.200
303 H SER 45 H SER 45 0.996 -17.463 12.860
304 HA SER 45 HA SER 45 3.506 -18.994 12.636
305 HB2 SER 45 1HB SER 45 4.405 -17.491 14.420
306 HB3 SER 45 2HB SER 45 4.033 -16.648 12.917
307 HG SER 45 HG SER 45 3.194 -15.989 15.263
308 H GLY 46 H GLY 46 1.082 -20.221 13.287
309 HA2 GLY 46 1HA GLY 46 1.565 -21.891 15.303
310 HA3 GLY 46 2HA GLY 46 1.000 -20.481 16.187
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -22.220 12.675 -17.437
2 HA2 GLY 1 1HA GLY 1 -21.480 15.089 -18.072
3 HA3 GLY 1 2HA GLY 1 -22.239 15.468 -16.533
4 H SER 2 H SER 2 -20.553 16.029 -15.282
5 HA SER 2 HA SER 2 -18.024 14.704 -15.387
6 HB2 SER 2 1HB SER 2 -18.261 17.083 -14.738
7 HB3 SER 2 2HB SER 2 -19.110 16.584 -13.274
8 HG SER 2 HG SER 2 -17.068 16.744 -12.599
9 H SER 3 H SER 3 -17.452 12.877 -14.429
10 HA SER 3 HA SER 3 -18.847 12.050 -11.978
11 HB2 SER 3 1HB SER 3 -19.846 10.774 -13.796
12 HB3 SER 3 2HB SER 3 -18.250 10.284 -14.364
13 HG SER 3 HG SER 3 -19.372 8.711 -13.030
14 H GLY 4 H GLY 4 -17.118 12.580 -10.673
15 HA2 GLY 4 1HA GLY 4 -15.320 11.621 -9.444
16 HA3 GLY 4 2HA GLY 4 -14.821 10.766 -10.897
17 H SER 5 H SER 5 -13.044 11.506 -11.830
18 HA SER 5 HA SER 5 -11.165 12.835 -12.037
19 HB2 SER 5 1HB SER 5 -13.483 14.427 -13.114
20 HB3 SER 5 2HB SER 5 -11.828 15.025 -13.236
21 HG SER 5 HG SER 5 -11.411 12.845 -14.200
22 H SER 6 H SER 6 -11.986 12.909 -9.387
23 HA SER 6 HA SER 6 -12.575 15.217 -8.120
24 HB2 SER 6 1HB SER 6 -12.066 13.179 -6.893
25 HB3 SER 6 2HB SER 6 -10.369 13.287 -7.361
26 HG SER 6 HG SER 6 -10.844 15.567 -6.267
27 H GLY 7 H GLY 7 -9.210 14.325 -8.927
28 HA2 GLY 7 1HA GLY 7 -8.642 17.084 -9.643
29 HA3 GLY 7 2HA GLY 7 -7.807 16.490 -8.215
30 H HIS 8 H HIS 8 -6.542 17.387 -10.590
31 HA HIS 8 HA HIS 8 -5.480 14.887 -11.719
32 HB2 HIS 8 1HB HIS 8 -4.598 16.326 -13.549
33 HB3 HIS 8 2HB HIS 8 -6.354 16.371 -13.417
34 HD2 HIS 8 HD2 HIS 8 -3.364 18.759 -13.382
35 HE1 HIS 8 HE1 HIS 8 -6.773 21.012 -12.241
36 HE2 HIS 8 HE2 HIS 8 -4.378 21.110 -13.015
37 H GLY 9 H GLY 9 -3.986 14.359 -10.138
38 HA2 GLY 9 1HA GLY 9 -1.509 15.849 -10.255
39 HA3 GLY 9 2HA GLY 9 -2.288 15.870 -8.679
40 H GLU 10 H GLU 10 -0.577 13.952 -11.015
41 HA GLU 10 HA GLU 10 -0.842 11.453 -9.681
42 HB2 GLU 10 1HB GLU 10 0.955 10.696 -11.150
43 HB3 GLU 10 2HB GLU 10 -0.246 11.607 -12.054
44 HG2 GLU 10 1HG GLU 10 1.680 12.476 -12.910
45 HG3 GLU 10 2HG GLU 10 1.365 13.613 -11.600
46 H ARG 11 H ARG 11 1.712 13.922 -9.736
47 HA ARG 11 HA ARG 11 3.664 12.758 -8.242
48 HB2 ARG 11 1HB ARG 11 3.628 15.102 -9.217
49 HB3 ARG 11 2HB ARG 11 2.766 15.599 -7.767
50 HG2 ARG 11 1HG ARG 11 4.805 14.446 -6.566
51 HG3 ARG 11 2HG ARG 11 5.600 14.780 -8.106
52 HD2 ARG 11 1HD ARG 11 5.067 17.133 -7.908
53 HD3 ARG 11 2HD ARG 11 4.160 16.829 -6.427
54 HE ARG 11 HE ARG 11 6.131 16.819 -5.274
55 HH11 ARG 11 1HH1 ARG 11 6.805 16.378 -8.661
56 HH12 ARG 11 2HH1 ARG 11 8.523 16.491 -8.468
57 HH21 ARG 11 1HH2 ARG 11 8.392 16.969 -5.006
58 HH22 ARG 11 2HH2 ARG 11 9.425 16.826 -6.388
59 H GLY 12 H GLY 12 2.999 11.359 -6.647
60 HA2 GLY 12 1HA GLY 12 2.935 11.897 -4.073
61 HA3 GLY 12 2HA GLY 12 1.303 12.393 -4.497
62 H HIS 13 H HIS 13 0.731 10.722 -2.898
63 HA HIS 13 HA HIS 13 0.299 8.179 -4.258
64 HB2 HIS 13 1HB HIS 13 1.364 8.238 -1.433
65 HB3 HIS 13 2HB HIS 13 1.114 6.829 -2.459
66 HD2 HIS 13 HD2 HIS 13 3.723 9.669 -1.915
67 HE1 HIS 13 HE1 HIS 13 5.300 6.918 -4.733
68 HE2 HIS 13 HE2 HIS 13 5.801 8.883 -3.239
69 H ARG 14 H ARG 14 -1.855 8.116 -4.289
70 HA ARG 14 HA ARG 14 -3.376 9.093 -1.997
71 HB2 ARG 14 1HB ARG 14 -4.123 9.865 -4.161
72 HB3 ARG 14 2HB ARG 14 -4.230 8.214 -4.758
73 HG2 ARG 14 1HG ARG 14 -5.949 7.860 -2.887
74 HG3 ARG 14 2HG ARG 14 -6.006 9.622 -2.805
75 HD2 ARG 14 1HD ARG 14 -7.761 8.765 -4.258
76 HD3 ARG 14 2HD ARG 14 -6.593 9.713 -5.177
77 HE ARG 14 HE ARG 14 -7.033 6.841 -5.341
78 HH11 ARG 14 1HH1 ARG 14 -5.113 9.600 -6.248
79 HH12 ARG 14 2HH1 ARG 14 -4.382 8.809 -7.605
80 HH21 ARG 14 1HH2 ARG 14 -6.078 5.790 -7.126
81 HH22 ARG 14 2HH2 ARG 14 -4.933 6.642 -8.104
82 H CYS 15 H CYS 15 -4.755 7.835 -0.784
83 HA CYS 15 HA CYS 15 -4.166 4.992 -0.784
84 HB2 CYS 15 1HB CYS 15 -4.145 6.105 1.357
85 HB3 CYS 15 2HB CYS 15 -5.769 6.733 1.096
86 H SER 16 H SER 16 -5.857 3.377 -0.667
87 HA SER 16 HA SER 16 -8.176 4.122 -2.317
88 HB2 SER 16 1HB SER 16 -6.575 1.598 -2.061
89 HB3 SER 16 2HB SER 16 -8.245 1.522 -2.623
90 HG SER 16 HG SER 16 -7.329 3.384 -4.058
91 H ASP 17 H ASP 17 -7.172 2.638 0.672
92 HA ASP 17 HA ASP 17 -9.564 1.391 1.420
93 HB2 ASP 17 1HB ASP 17 -7.579 2.719 3.275
94 HB3 ASP 17 2HB ASP 17 -8.704 1.425 3.679
95 H CYS 18 H CYS 18 -8.377 4.662 2.173
96 HA CYS 18 HA CYS 18 -11.118 5.390 2.962
97 HB2 CYS 18 1HB CYS 18 -10.043 7.308 4.148
98 HB3 CYS 18 2HB CYS 18 -9.559 5.733 4.768
99 H GLY 19 H GLY 19 -8.278 6.537 1.166
100 HA2 GLY 19 1HA GLY 19 -8.639 7.441 -1.069
101 HA3 GLY 19 2HA GLY 19 -10.112 8.182 -0.461
102 H LYS 20 H LYS 20 -7.019 8.160 1.213
103 HA LYS 20 HA LYS 20 -7.078 11.064 1.305
104 HB2 LYS 20 1HB LYS 20 -5.672 8.907 2.790
105 HB3 LYS 20 2HB LYS 20 -4.859 10.463 2.681
106 HG2 LYS 20 1HG LYS 20 -6.890 11.535 3.611
107 HG3 LYS 20 2HG LYS 20 -7.591 9.929 3.827
108 HD2 LYS 20 1HD LYS 20 -6.688 10.234 5.904
109 HD3 LYS 20 2HD LYS 20 -5.306 9.497 5.089
110 HE2 LYS 20 1HE LYS 20 -4.434 11.359 6.231
111 HE3 LYS 20 2HE LYS 20 -4.558 11.863 4.546
112 HZ1 LYS 20 3HZ LYS 20 -5.913 12.885 6.867
113 HZ2 LYS 20 1HZ LYS 20 -6.954 12.580 5.569
114 HZ3 LYS 20 2HZ LYS 20 -5.634 13.617 5.368
115 H PHE 21 H PHE 21 -4.704 12.042 1.252
116 HA PHE 21 HA PHE 21 -3.316 10.997 -1.120
117 HB2 PHE 21 1HB PHE 21 -4.810 12.942 -1.688
118 HB3 PHE 21 2HB PHE 21 -3.823 13.934 -0.618
119 HD1 PHE 21 HD1 PHE 21 -3.768 11.915 -3.711
120 HD2 PHE 21 HD2 PHE 21 -1.768 14.827 -1.336
121 HE1 PHE 21 HE1 PHE 21 -2.212 12.355 -5.566
122 HE2 PHE 21 HE2 PHE 21 -0.210 15.272 -3.187
123 HZ PHE 21 HZ PHE 21 -0.431 14.036 -5.306
124 H PHE 22 H PHE 22 -1.086 11.470 -1.248
125 HA PHE 22 HA PHE 22 0.174 12.789 1.018
126 HB2 PHE 22 1HB PHE 22 0.813 9.923 0.291
127 HB3 PHE 22 2HB PHE 22 1.646 10.889 1.504
128 HD1 PHE 22 HD2 PHE 22 -1.808 9.772 0.644
129 HD2 PHE 22 HD1 PHE 22 1.032 10.624 3.697
130 HE1 PHE 22 HE2 PHE 22 -3.414 9.011 2.345
131 HE2 PHE 22 HE1 PHE 22 -0.569 9.863 5.403
132 HZ PHE 22 HZ PHE 22 -2.796 9.056 4.728
133 H LEU 23 H LEU 23 2.525 13.064 0.696
134 HA LEU 23 HA LEU 23 3.176 13.208 -2.174
135 HB2 LEU 23 1HB LEU 23 3.938 15.008 0.112
136 HB3 LEU 23 2HB LEU 23 4.740 15.063 -1.457
137 HG LEU 23 HG LEU 23 3.020 16.824 -1.134
138 HD11 LEU 23 1HD1 LEU 23 2.314 14.869 -3.313
139 HD12 LEU 23 2HD1 LEU 23 3.695 15.963 -3.368
140 HD13 LEU 23 3HD1 LEU 23 2.057 16.614 -3.314
141 HD21 LEU 23 3HD2 LEU 23 0.869 14.818 -1.532
142 HD22 LEU 23 1HD2 LEU 23 0.818 16.397 -0.747
143 HD23 LEU 23 2HD2 LEU 23 1.520 15.015 0.096
144 H GLN 24 H GLN 24 4.220 12.200 0.979
145 HA GLN 24 HA GLN 24 6.792 11.305 -0.131
146 HB2 GLN 24 1HB GLN 24 6.015 11.463 2.782
147 HB3 GLN 24 2HB GLN 24 7.624 11.207 2.121
148 HG2 GLN 24 1HG GLN 24 7.137 13.540 0.983
149 HG3 GLN 24 2HG GLN 24 6.040 13.702 2.354
150 HE21 GLN 24 1HE2 GLN 24 9.379 13.146 1.424
151 HE22 GLN 24 2HE2 GLN 24 10.080 13.714 2.897
152 H ALA 25 H ALA 25 6.739 9.278 -0.833
153 HA ALA 25 HA ALA 25 4.899 7.344 -0.558
154 HB1 ALA 25 3HB ALA 25 7.854 7.221 -0.866
155 HB2 ALA 25 1HB ALA 25 6.978 5.718 -0.569
156 HB3 ALA 25 2HB ALA 25 6.578 6.710 -1.971
157 H SER 26 H SER 26 7.691 7.637 1.647
158 HA SER 26 HA SER 26 7.144 5.619 3.402
159 HB2 SER 26 1HB SER 26 8.064 7.412 5.162
160 HB3 SER 26 2HB SER 26 9.110 6.656 3.959
161 HG SER 26 HG SER 26 7.755 8.981 3.224
162 H ASN 27 H ASN 27 5.898 8.948 3.617
163 HA ASN 27 HA ASN 27 4.313 8.543 5.901
164 HB2 ASN 27 1HB ASN 27 4.325 10.570 3.692
165 HB3 ASN 27 2HB ASN 27 3.002 10.558 4.855
166 HD21 ASN 27 1HD2 ASN 27 6.546 10.427 4.771
167 HD22 ASN 27 2HD2 ASN 27 6.786 11.468 6.129
168 H PHE 28 H PHE 28 3.797 7.790 2.554
169 HA PHE 28 HA PHE 28 0.954 7.452 2.775
170 HB2 PHE 28 1HB PHE 28 1.719 8.000 0.608
171 HB3 PHE 28 2HB PHE 28 2.979 6.771 0.653
172 HD1 PHE 28 HD1 PHE 28 2.463 4.442 0.235
173 HD2 PHE 28 HD2 PHE 28 -0.565 7.429 0.091
174 HE1 PHE 28 HE1 PHE 28 0.966 2.864 -0.915
175 HE2 PHE 28 HE2 PHE 28 -2.067 5.856 -1.058
176 HZ PHE 28 HZ PHE 28 -1.303 3.570 -1.562
177 H ILE 29 H ILE 29 3.783 5.421 3.078
178 HA ILE 29 HA ILE 29 2.403 2.930 2.994
179 HB ILE 29 HB ILE 29 5.093 3.581 4.204
180 HG12 ILE 29 1HG1 ILE 29 4.394 2.452 1.485
181 HG13 ILE 29 2HG1 ILE 29 4.909 4.108 1.789
182 HG21 ILE 29 1HG2 ILE 29 4.133 0.889 3.281
183 HG22 ILE 29 2HG2 ILE 29 5.544 1.275 4.266
184 HG23 ILE 29 3HG2 ILE 29 3.924 1.445 4.942
185 HD11 ILE 29 3HD1 ILE 29 6.572 2.171 1.021
186 HD12 ILE 29 1HD1 ILE 29 7.074 3.529 2.028
187 HD13 ILE 29 2HD1 ILE 29 6.694 1.975 2.770
188 H GLN 30 H GLN 30 3.715 4.883 5.667
189 HA GLN 30 HA GLN 30 2.810 3.197 7.734
190 HB2 GLN 30 1HB GLN 30 3.185 6.176 7.987
191 HB3 GLN 30 2HB GLN 30 3.386 4.950 9.230
192 HG2 GLN 30 1HG GLN 30 5.244 4.056 7.620
193 HG3 GLN 30 2HG GLN 30 5.204 5.706 7.001
194 HE21 GLN 30 1HE2 GLN 30 7.248 6.200 7.735
195 HE22 GLN 30 2HE2 GLN 30 7.615 6.406 9.411
196 H HIS 31 H HIS 31 1.036 4.953 5.570
197 HA HIS 31 HA HIS 31 -1.123 5.587 7.439
198 HB2 HIS 31 1HB HIS 31 -0.870 7.392 6.003
199 HB3 HIS 31 2HB HIS 31 -0.492 6.371 4.619
200 HD1 HIS 31 HD1 HIS 31 -3.424 7.558 6.671
201 HD2 HIS 31 HD2 HIS 31 -2.645 5.666 3.055
202 HE1 HIS 31 HE1 HIS 31 -5.628 7.486 5.462
203 H ARG 32 H ARG 32 -0.355 3.494 4.724
204 HA ARG 32 HA ARG 32 -2.977 2.455 4.375
205 HB2 ARG 32 1HB ARG 32 -0.343 1.165 3.644
206 HB3 ARG 32 2HB ARG 32 -1.924 0.761 2.989
207 HG2 ARG 32 1HG ARG 32 -0.986 3.561 2.708
208 HG3 ARG 32 2HG ARG 32 -0.227 2.324 1.704
209 HD2 ARG 32 1HD ARG 32 -3.189 2.861 1.891
210 HD3 ARG 32 2HD ARG 32 -2.134 3.387 0.580
211 HE ARG 32 HE ARG 32 -2.065 0.554 1.024
212 HH11 ARG 32 1HH1 ARG 32 -3.760 3.150 -0.561
213 HH12 ARG 32 2HH1 ARG 32 -4.422 2.135 -1.800
214 HH21 ARG 32 1HH2 ARG 32 -2.931 -0.792 -0.602
215 HH22 ARG 32 2HH2 ARG 32 -3.951 -0.106 -1.822
216 H ARG 33 H ARG 33 -0.732 2.058 6.830
217 HA ARG 33 HA ARG 33 -1.278 -0.687 7.469
218 HB2 ARG 33 1HB ARG 33 -0.291 0.944 9.674
219 HB3 ARG 33 2HB ARG 33 0.425 -0.471 8.915
220 HG2 ARG 33 1HG ARG 33 0.958 1.269 6.999
221 HG3 ARG 33 2HG ARG 33 0.840 2.408 8.342
222 HD2 ARG 33 1HD ARG 33 2.453 -0.051 8.748
223 HD3 ARG 33 2HD ARG 33 3.118 1.201 7.699
224 HE ARG 33 HE ARG 33 3.378 2.578 9.535
225 HH11 ARG 33 1HH1 ARG 33 1.573 -0.269 10.405
226 HH12 ARG 33 2HH1 ARG 33 1.690 0.019 12.109
227 HH21 ARG 33 1HH2 ARG 33 3.538 2.968 11.777
228 HH22 ARG 33 2HH2 ARG 33 2.807 1.861 12.888
229 H ILE 34 H ILE 34 -2.407 2.461 8.600
230 HA ILE 34 HA ILE 34 -3.826 1.808 10.842
231 HB ILE 34 HB ILE 34 -5.048 3.757 10.586
232 HG12 ILE 34 1HG1 ILE 34 -4.827 3.446 7.584
233 HG13 ILE 34 2HG1 ILE 34 -6.249 3.061 8.549
234 HG21 ILE 34 1HG2 ILE 34 -2.391 3.813 9.919
235 HG22 ILE 34 2HG2 ILE 34 -3.135 4.738 8.616
236 HG23 ILE 34 3HG2 ILE 34 -3.384 5.221 10.293
237 HD11 ILE 34 3HD1 ILE 34 -5.024 5.797 8.289
238 HD12 ILE 34 1HD1 ILE 34 -6.432 5.218 7.400
239 HD13 ILE 34 2HD1 ILE 34 -6.504 5.383 9.154
240 H HIS 35 H HIS 35 -4.608 1.051 7.530
241 HA HIS 35 HA HIS 35 -7.295 0.179 8.164
242 HB2 HIS 35 1HB HIS 35 -5.773 -0.272 5.595
243 HB3 HIS 35 2HB HIS 35 -7.518 -0.315 5.829
244 HD1 HIS 35 HD1 HIS 35 -8.496 2.150 6.703
245 HD2 HIS 35 HD2 HIS 35 -4.917 2.083 4.595
246 HE1 HIS 35 HE1 HIS 35 -8.176 4.493 5.846
247 H THR 36 H THR 36 -4.130 -1.182 7.947
248 HA THR 36 HA THR 36 -4.980 -3.904 7.620
249 HB THR 36 HB THR 36 -2.722 -4.520 7.768
250 HG1 THR 36 HG1 THR 36 -2.201 -2.028 9.055
251 HG21 THR 36 3HG2 THR 36 -3.163 -1.859 6.508
252 HG22 THR 36 1HG2 THR 36 -2.738 -3.401 5.767
253 HG23 THR 36 2HG2 THR 36 -1.510 -2.465 6.619
254 H GLY 37 H GLY 37 -3.763 -1.957 10.339
255 HA2 GLY 37 1HA GLY 37 -3.641 -3.832 12.330
256 HA3 GLY 37 2HA GLY 37 -4.147 -2.171 12.599
257 H GLU 38 H GLU 38 -6.528 -1.800 11.809
258 HA GLU 38 HA GLU 38 -8.154 -3.508 13.424
259 HB2 GLU 38 1HB GLU 38 -9.966 -2.025 12.875
260 HB3 GLU 38 2HB GLU 38 -8.529 -1.058 13.178
261 HG2 GLU 38 1HG GLU 38 -9.265 -0.030 11.301
262 HG3 GLU 38 2HG GLU 38 -8.267 -1.279 10.558
263 H LYS 39 H LYS 39 -10.411 -4.115 12.399
264 HA LYS 39 HA LYS 39 -10.156 -5.179 9.704
265 HB2 LYS 39 1HB LYS 39 -10.555 -7.455 10.288
266 HB3 LYS 39 2HB LYS 39 -9.209 -6.904 11.276
267 HG2 LYS 39 1HG LYS 39 -11.899 -6.640 12.461
268 HG3 LYS 39 2HG LYS 39 -11.283 -8.280 12.249
269 HD2 LYS 39 1HD LYS 39 -10.502 -7.749 14.357
270 HD3 LYS 39 2HD LYS 39 -9.123 -7.316 13.344
271 HE2 LYS 39 1HE LYS 39 -9.404 -5.082 13.680
272 HE3 LYS 39 2HE LYS 39 -11.154 -5.216 13.848
273 HZ1 LYS 39 3HZ LYS 39 -9.232 -6.155 15.904
274 HZ2 LYS 39 1HZ LYS 39 -10.911 -6.015 16.057
275 HZ3 LYS 39 2HZ LYS 39 -9.956 -4.626 15.927
276 HA PRO 40 HA PRO 40 -14.451 -4.273 9.538
277 HB2 PRO 40 1HB PRO 40 -15.270 -6.053 7.660
278 HB3 PRO 40 2HB PRO 40 -14.307 -4.622 7.272
279 HG2 PRO 40 1HG PRO 40 -13.423 -7.460 7.633
280 HG3 PRO 40 2HG PRO 40 -12.934 -6.284 6.399
281 HD2 PRO 40 1HD PRO 40 -11.409 -6.842 8.566
282 HD3 PRO 40 2HD PRO 40 -11.442 -5.236 7.809
283 H SER 41 H SER 41 -16.371 -4.898 10.432
284 HA SER 41 HA SER 41 -16.340 -7.238 12.104
285 HB2 SER 41 1HB SER 41 -18.274 -4.979 11.668
286 HB3 SER 41 2HB SER 41 -18.756 -6.402 12.592
287 HG SER 41 HG SER 41 -17.697 -4.467 13.688
288 H GLY 42 H GLY 42 -16.980 -9.198 11.517
289 HA2 GLY 42 1HA GLY 42 -17.810 -10.871 10.151
290 HA3 GLY 42 2HA GLY 42 -19.314 -10.001 10.411
291 HA PRO 43 HA PRO 43 -17.591 -8.276 6.247
292 HB2 PRO 43 1HB PRO 43 -15.310 -9.393 5.287
293 HB3 PRO 43 2HB PRO 43 -15.314 -7.987 6.359
294 HG2 PRO 43 1HG PRO 43 -14.849 -10.871 7.017
295 HG3 PRO 43 2HG PRO 43 -13.981 -9.437 7.595
296 HD2 PRO 43 1HD PRO 43 -15.869 -10.691 9.075
297 HD3 PRO 43 2HD PRO 43 -15.591 -8.940 9.168
298 H SER 44 H SER 44 -17.150 -9.285 3.954
299 HA SER 44 HA SER 44 -19.001 -11.443 3.668
300 HB2 SER 44 1HB SER 44 -17.192 -10.293 1.535
301 HB3 SER 44 2HB SER 44 -18.708 -11.162 1.299
302 HG SER 44 HG SER 44 -18.572 -8.743 2.756
303 H SER 45 H SER 45 -18.621 -13.558 3.570
304 HA SER 45 HA SER 45 -15.822 -14.452 3.391
305 HB2 SER 45 1HB SER 45 -17.290 -14.943 5.479
306 HB3 SER 45 2HB SER 45 -18.063 -16.153 4.454
307 HG SER 45 HG SER 45 -16.326 -17.356 4.551
308 H GLY 46 H GLY 46 -15.316 -15.163 1.428
309 HA2 GLY 46 1HA GLY 46 -17.345 -16.734 -0.041
310 HA3 GLY 46 2HA GLY 46 -16.203 -15.658 -0.833
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -16.620 12.366 -28.583
2 HA2 GLY 1 1HA GLY 1 -16.169 14.711 -28.118
3 HA3 GLY 1 2HA GLY 1 -17.624 14.732 -27.132
4 H SER 2 H SER 2 -14.310 14.571 -27.058
5 HA SER 2 HA SER 2 -14.199 13.085 -24.539
6 HB2 SER 2 1HB SER 2 -12.136 13.978 -26.530
7 HB3 SER 2 2HB SER 2 -11.655 13.561 -24.885
8 HG SER 2 HG SER 2 -11.857 11.542 -25.395
9 H SER 3 H SER 3 -15.548 15.508 -24.398
10 HA SER 3 HA SER 3 -13.810 17.602 -23.502
11 HB2 SER 3 1HB SER 3 -16.794 17.195 -23.447
12 HB3 SER 3 2HB SER 3 -16.040 18.576 -22.651
13 HG SER 3 HG SER 3 -16.559 19.202 -24.715
14 H GLY 4 H GLY 4 -13.109 18.051 -21.493
15 HA2 GLY 4 1HA GLY 4 -13.786 17.978 -19.064
16 HA3 GLY 4 2HA GLY 4 -14.022 16.258 -19.331
17 H SER 5 H SER 5 -11.576 18.818 -19.413
18 HA SER 5 HA SER 5 -9.530 16.770 -18.869
19 HB2 SER 5 1HB SER 5 -9.399 19.405 -20.313
20 HB3 SER 5 2HB SER 5 -7.944 18.676 -19.635
21 HG SER 5 HG SER 5 -8.842 16.717 -20.869
22 H SER 6 H SER 6 -8.666 16.751 -16.909
23 HA SER 6 HA SER 6 -7.960 19.084 -15.464
24 HB2 SER 6 1HB SER 6 -10.391 19.186 -15.072
25 HB3 SER 6 2HB SER 6 -10.350 17.554 -14.405
26 HG SER 6 HG SER 6 -8.578 18.736 -13.022
27 H GLY 7 H GLY 7 -6.593 18.628 -13.763
28 HA2 GLY 7 1HA GLY 7 -5.184 17.384 -12.444
29 HA3 GLY 7 2HA GLY 7 -6.425 16.140 -12.443
30 H HIS 8 H HIS 8 -3.580 17.359 -14.089
31 HA HIS 8 HA HIS 8 -3.431 14.881 -15.660
32 HB2 HIS 8 1HB HIS 8 -1.918 17.484 -15.967
33 HB3 HIS 8 2HB HIS 8 -1.714 16.069 -16.996
34 HD2 HIS 8 HD2 HIS 8 -4.023 15.479 -18.627
35 HE1 HIS 8 HE1 HIS 8 -5.604 19.398 -18.242
36 HE2 HIS 8 HE2 HIS 8 -5.789 17.188 -19.436
37 H GLY 9 H GLY 9 -2.364 13.318 -14.627
38 HA2 GLY 9 1HA GLY 9 -0.481 12.241 -13.799
39 HA3 GLY 9 2HA GLY 9 0.360 13.784 -13.786
40 H GLU 10 H GLU 10 0.937 12.356 -11.701
41 HA GLU 10 HA GLU 10 -0.336 13.765 -9.516
42 HB2 GLU 10 1HB GLU 10 -1.531 11.468 -10.054
43 HB3 GLU 10 2HB GLU 10 -0.166 10.804 -9.167
44 HG2 GLU 10 1HG GLU 10 -0.842 12.622 -7.399
45 HG3 GLU 10 2HG GLU 10 -2.404 12.507 -8.208
46 H ARG 11 H ARG 11 1.202 14.409 -8.168
47 HA ARG 11 HA ARG 11 3.773 12.984 -8.193
48 HB2 ARG 11 1HB ARG 11 4.750 15.066 -7.341
49 HB3 ARG 11 2HB ARG 11 3.892 15.334 -8.853
50 HG2 ARG 11 1HG ARG 11 1.913 15.928 -7.200
51 HG3 ARG 11 2HG ARG 11 3.261 16.279 -6.116
52 HD2 ARG 11 1HD ARG 11 3.359 17.349 -8.890
53 HD3 ARG 11 2HD ARG 11 2.265 18.114 -7.738
54 HE ARG 11 HE ARG 11 5.121 18.298 -7.786
55 HH11 ARG 11 1HH1 ARG 11 2.313 18.396 -5.730
56 HH12 ARG 11 2HH1 ARG 11 3.075 19.369 -4.516
57 HH21 ARG 11 1HH2 ARG 11 6.135 19.579 -6.195
58 HH22 ARG 11 2HH2 ARG 11 5.248 20.042 -4.782
59 H GLY 12 H GLY 12 1.710 11.862 -6.692
60 HA2 GLY 12 1HA GLY 12 2.934 11.899 -4.068
61 HA3 GLY 12 2HA GLY 12 1.282 12.498 -4.107
62 H HIS 13 H HIS 13 0.626 10.777 -2.750
63 HA HIS 13 HA HIS 13 0.123 8.308 -4.233
64 HB2 HIS 13 1HB HIS 13 1.259 8.364 -1.429
65 HB3 HIS 13 2HB HIS 13 0.744 6.921 -2.299
66 HD2 HIS 13 HD2 HIS 13 3.466 9.740 -2.926
67 HE1 HIS 13 HE1 HIS 13 4.906 6.002 -4.325
68 HE2 HIS 13 HE2 HIS 13 5.461 8.425 -3.919
69 H ARG 14 H ARG 14 -2.006 8.076 -4.253
70 HA ARG 14 HA ARG 14 -3.588 9.119 -2.020
71 HB2 ARG 14 1HB ARG 14 -4.305 9.903 -4.178
72 HB3 ARG 14 2HB ARG 14 -4.351 8.264 -4.813
73 HG2 ARG 14 1HG ARG 14 -6.107 7.877 -2.929
74 HG3 ARG 14 2HG ARG 14 -6.253 9.636 -2.974
75 HD2 ARG 14 1HD ARG 14 -6.565 7.798 -5.345
76 HD3 ARG 14 2HD ARG 14 -7.893 8.509 -4.428
77 HE ARG 14 HE ARG 14 -6.392 10.646 -5.213
78 HH11 ARG 14 1HH1 ARG 14 -7.930 7.990 -6.857
79 HH12 ARG 14 2HH1 ARG 14 -8.212 8.885 -8.313
80 HH21 ARG 14 1HH2 ARG 14 -6.758 11.834 -7.125
81 HH22 ARG 14 2HH2 ARG 14 -7.544 11.071 -8.465
82 H CYS 15 H CYS 15 -4.764 7.849 -0.694
83 HA CYS 15 HA CYS 15 -4.235 5.028 -0.696
84 HB2 CYS 15 1HB CYS 15 -4.421 6.417 1.381
85 HB3 CYS 15 2HB CYS 15 -6.146 6.575 1.064
86 H SER 16 H SER 16 -5.855 3.364 -0.692
87 HA SER 16 HA SER 16 -8.127 4.034 -2.436
88 HB2 SER 16 1HB SER 16 -6.566 2.404 -3.388
89 HB3 SER 16 2HB SER 16 -6.760 1.371 -1.972
90 HG SER 16 HG SER 16 -8.283 1.510 -4.173
91 H ASP 17 H ASP 17 -7.218 2.637 0.615
92 HA ASP 17 HA ASP 17 -9.650 1.341 1.229
93 HB2 ASP 17 1HB ASP 17 -7.315 2.319 2.824
94 HB3 ASP 17 2HB ASP 17 -8.778 1.820 3.669
95 H CYS 18 H CYS 18 -8.429 4.580 2.035
96 HA CYS 18 HA CYS 18 -11.156 5.326 2.857
97 HB2 CYS 18 1HB CYS 18 -10.026 7.252 4.013
98 HB3 CYS 18 2HB CYS 18 -9.611 5.667 4.657
99 H GLY 19 H GLY 19 -8.319 6.492 1.061
100 HA2 GLY 19 1HA GLY 19 -8.707 7.397 -1.177
101 HA3 GLY 19 2HA GLY 19 -10.162 8.151 -0.543
102 H LYS 20 H LYS 20 -7.229 8.139 1.320
103 HA LYS 20 HA LYS 20 -7.203 11.013 1.379
104 HB2 LYS 20 1HB LYS 20 -5.747 8.820 2.761
105 HB3 LYS 20 2HB LYS 20 -4.948 10.385 2.678
106 HG2 LYS 20 1HG LYS 20 -6.993 11.402 3.676
107 HG3 LYS 20 2HG LYS 20 -7.628 9.770 3.900
108 HD2 LYS 20 1HD LYS 20 -6.657 10.091 5.945
109 HD3 LYS 20 2HD LYS 20 -5.285 9.405 5.071
110 HE2 LYS 20 1HE LYS 20 -4.258 11.490 4.816
111 HE3 LYS 20 2HE LYS 20 -5.747 12.367 5.165
112 HZ1 LYS 20 3HZ LYS 20 -4.483 12.573 7.090
113 HZ2 LYS 20 1HZ LYS 20 -3.958 10.965 7.051
114 HZ3 LYS 20 2HZ LYS 20 -5.558 11.322 7.464
115 H PHE 21 H PHE 21 -4.720 11.885 1.375
116 HA PHE 21 HA PHE 21 -3.405 10.935 -1.064
117 HB2 PHE 21 1HB PHE 21 -4.935 12.834 -1.640
118 HB3 PHE 21 2HB PHE 21 -3.997 13.855 -0.555
119 HD1 PHE 21 HD1 PHE 21 -3.897 11.927 -3.690
120 HD2 PHE 21 HD2 PHE 21 -1.906 14.757 -1.212
121 HE1 PHE 21 HE1 PHE 21 -2.339 12.433 -5.526
122 HE2 PHE 21 HE2 PHE 21 -0.345 15.268 -3.044
123 HZ PHE 21 HZ PHE 21 -0.561 14.106 -5.204
124 H PHE 22 H PHE 22 -1.188 11.498 -1.233
125 HA PHE 22 HA PHE 22 0.061 12.811 1.046
126 HB2 PHE 22 1HB PHE 22 0.760 9.981 0.234
127 HB3 PHE 22 2HB PHE 22 1.628 10.946 1.424
128 HD1 PHE 22 HD2 PHE 22 -1.829 9.745 0.701
129 HD2 PHE 22 HD1 PHE 22 1.112 10.653 3.641
130 HE1 PHE 22 HE2 PHE 22 -3.338 8.921 2.461
131 HE2 PHE 22 HE1 PHE 22 -0.392 9.829 5.405
132 HZ PHE 22 HZ PHE 22 -2.621 8.963 4.816
133 H LEU 23 H LEU 23 2.592 12.679 0.663
134 HA LEU 23 HA LEU 23 3.108 13.127 -2.200
135 HB2 LEU 23 1HB LEU 23 3.921 14.822 0.145
136 HB3 LEU 23 2HB LEU 23 4.717 14.929 -1.423
137 HG LEU 23 HG LEU 23 3.055 16.706 -1.083
138 HD11 LEU 23 1HD1 LEU 23 1.724 15.161 -3.177
139 HD12 LEU 23 2HD1 LEU 23 3.480 15.214 -3.324
140 HD13 LEU 23 3HD1 LEU 23 2.556 16.714 -3.262
141 HD21 LEU 23 3HD2 LEU 23 0.778 14.869 -1.413
142 HD22 LEU 23 1HD2 LEU 23 0.912 16.361 -0.482
143 HD23 LEU 23 2HD2 LEU 23 1.550 14.853 0.173
144 H GLN 24 H GLN 24 4.302 12.104 0.922
145 HA GLN 24 HA GLN 24 6.792 11.166 -0.322
146 HB2 GLN 24 1HB GLN 24 6.106 11.395 2.613
147 HB3 GLN 24 2HB GLN 24 7.673 10.960 1.943
148 HG2 GLN 24 1HG GLN 24 6.468 13.551 1.138
149 HG3 GLN 24 2HG GLN 24 7.144 13.403 2.759
150 HE21 GLN 24 1HE2 GLN 24 9.365 12.243 2.718
151 HE22 GLN 24 2HE2 GLN 24 10.484 12.850 1.550
152 H ALA 25 H ALA 25 6.733 9.138 -1.012
153 HA ALA 25 HA ALA 25 4.895 7.214 -0.735
154 HB1 ALA 25 3HB ALA 25 7.875 6.975 -0.900
155 HB2 ALA 25 1HB ALA 25 6.854 5.539 -0.829
156 HB3 ALA 25 2HB ALA 25 6.663 6.693 -2.149
157 H SER 26 H SER 26 7.682 7.463 1.482
158 HA SER 26 HA SER 26 7.089 5.460 3.239
159 HB2 SER 26 1HB SER 26 8.204 6.893 4.997
160 HB3 SER 26 2HB SER 26 9.124 6.699 3.505
161 HG SER 26 HG SER 26 9.094 8.872 4.166
162 H ASN 27 H ASN 27 5.990 8.838 3.567
163 HA ASN 27 HA ASN 27 4.381 8.481 5.808
164 HB2 ASN 27 1HB ASN 27 3.914 10.412 3.524
165 HB3 ASN 27 2HB ASN 27 3.273 10.558 5.158
166 HD21 ASN 27 1HD2 ASN 27 4.491 12.688 4.509
167 HD22 ASN 27 2HD2 ASN 27 6.102 12.793 5.125
168 H PHE 28 H PHE 28 3.759 7.800 2.437
169 HA PHE 28 HA PHE 28 0.938 7.446 2.723
170 HB2 PHE 28 1HB PHE 28 1.728 7.974 0.542
171 HB3 PHE 28 2HB PHE 28 2.907 6.667 0.575
172 HD1 PHE 28 HD2 PHE 28 -0.658 7.488 0.236
173 HD2 PHE 28 HD1 PHE 28 2.297 4.433 0.016
174 HE1 PHE 28 HE2 PHE 28 -2.277 6.006 -0.875
175 HE2 PHE 28 HE1 PHE 28 0.683 2.947 -1.097
176 HZ PHE 28 HZ PHE 28 -1.608 3.732 -1.543
177 H ILE 29 H ILE 29 3.749 5.369 2.957
178 HA ILE 29 HA ILE 29 2.312 2.907 2.958
179 HB ILE 29 HB ILE 29 5.068 3.492 4.047
180 HG12 ILE 29 1HG1 ILE 29 4.218 2.435 1.341
181 HG13 ILE 29 2HG1 ILE 29 4.823 4.058 1.656
182 HG21 ILE 29 1HG2 ILE 29 4.062 1.411 4.899
183 HG22 ILE 29 2HG2 ILE 29 3.825 0.867 3.239
184 HG23 ILE 29 3HG2 ILE 29 5.457 1.110 3.863
185 HD11 ILE 29 3HD1 ILE 29 6.899 3.358 1.405
186 HD12 ILE 29 1HD1 ILE 29 6.683 2.159 2.680
187 HD13 ILE 29 2HD1 ILE 29 6.288 1.752 1.010
188 H GLN 30 H GLN 30 3.749 4.898 5.532
189 HA GLN 30 HA GLN 30 2.943 3.243 7.669
190 HB2 GLN 30 1HB GLN 30 3.337 6.225 7.854
191 HB3 GLN 30 2HB GLN 30 3.594 5.017 9.107
192 HG2 GLN 30 1HG GLN 30 5.371 4.094 7.421
193 HG3 GLN 30 2HG GLN 30 5.306 5.736 6.783
194 HE21 GLN 30 1HE2 GLN 30 7.627 4.784 7.817
195 HE22 GLN 30 2HE2 GLN 30 7.980 5.571 9.314
196 H HIS 31 H HIS 31 1.060 4.910 5.551
197 HA HIS 31 HA HIS 31 -1.005 5.596 7.512
198 HB2 HIS 31 1HB HIS 31 -0.816 7.385 6.045
199 HB3 HIS 31 2HB HIS 31 -0.501 6.347 4.658
200 HD1 HIS 31 HD1 HIS 31 -3.340 7.550 6.829
201 HD2 HIS 31 HD2 HIS 31 -2.720 5.635 3.195
202 HE1 HIS 31 HE1 HIS 31 -5.595 7.469 5.719
203 H ARG 32 H ARG 32 -0.416 3.537 4.711
204 HA ARG 32 HA ARG 32 -3.030 2.479 4.513
205 HB2 ARG 32 1HB ARG 32 -0.409 1.223 3.677
206 HB3 ARG 32 2HB ARG 32 -2.008 0.725 3.140
207 HG2 ARG 32 1HG ARG 32 -1.237 3.552 2.701
208 HG3 ARG 32 2HG ARG 32 -0.460 2.321 1.703
209 HD2 ARG 32 1HD ARG 32 -3.419 2.816 2.000
210 HD3 ARG 32 2HD ARG 32 -2.429 3.142 0.578
211 HE ARG 32 HE ARG 32 -3.505 0.604 1.400
212 HH11 ARG 32 1HH1 ARG 32 -1.028 2.209 -0.447
213 HH12 ARG 32 2HH1 ARG 32 -0.764 0.863 -1.506
214 HH21 ARG 32 1HH2 ARG 32 -3.166 -1.174 0.012
215 HH22 ARG 32 2HH2 ARG 32 -1.981 -1.060 -1.245
216 H ARG 33 H ARG 33 -0.748 2.133 6.916
217 HA ARG 33 HA ARG 33 -1.238 -0.616 7.595
218 HB2 ARG 33 1HB ARG 33 -0.227 1.069 9.753
219 HB3 ARG 33 2HB ARG 33 0.483 -0.361 9.017
220 HG2 ARG 33 1HG ARG 33 0.950 1.358 7.048
221 HG3 ARG 33 2HG ARG 33 0.894 2.501 8.392
222 HD2 ARG 33 1HD ARG 33 2.495 0.028 8.748
223 HD3 ARG 33 2HD ARG 33 3.132 1.263 7.665
224 HE ARG 33 HE ARG 33 2.420 2.597 9.958
225 HH11 ARG 33 1HH1 ARG 33 4.562 -0.021 9.135
226 HH12 ARG 33 2HH1 ARG 33 5.685 0.325 10.408
227 HH21 ARG 33 1HH2 ARG 33 3.891 3.063 11.637
228 HH22 ARG 33 2HH2 ARG 33 5.303 2.080 11.831
229 H ILE 34 H ILE 34 -2.244 2.530 8.903
230 HA ILE 34 HA ILE 34 -3.653 1.860 11.111
231 HB ILE 34 HB ILE 34 -4.867 3.817 10.911
232 HG12 ILE 34 1HG1 ILE 34 -4.757 3.526 7.900
233 HG13 ILE 34 2HG1 ILE 34 -6.143 3.140 8.914
234 HG21 ILE 34 1HG2 ILE 34 -2.968 4.728 8.860
235 HG22 ILE 34 2HG2 ILE 34 -3.252 5.326 10.494
236 HG23 ILE 34 3HG2 ILE 34 -2.248 3.899 10.240
237 HD11 ILE 34 3HD1 ILE 34 -4.919 5.876 8.672
238 HD12 ILE 34 1HD1 ILE 34 -6.323 5.316 7.764
239 HD13 ILE 34 2HD1 ILE 34 -6.403 5.444 9.521
240 H HIS 35 H HIS 35 -4.558 1.189 7.801
241 HA HIS 35 HA HIS 35 -7.243 0.396 8.399
242 HB2 HIS 35 1HB HIS 35 -5.551 -0.236 5.971
243 HB3 HIS 35 2HB HIS 35 -7.298 -0.423 6.093
244 HD1 HIS 35 HD1 HIS 35 -8.734 1.700 5.910
245 HD2 HIS 35 HD2 HIS 35 -4.649 2.408 5.648
246 HE1 HIS 35 HE1 HIS 35 -8.513 4.070 5.098
247 H THR 36 H THR 36 -4.152 -1.248 8.058
248 HA THR 36 HA THR 36 -4.942 -3.885 7.910
249 HB THR 36 HB THR 36 -2.817 -4.501 8.883
250 HG1 THR 36 HG1 THR 36 -1.853 -3.271 10.317
251 HG21 THR 36 3HG2 THR 36 -1.284 -2.999 7.557
252 HG22 THR 36 1HG2 THR 36 -2.701 -2.025 7.167
253 HG23 THR 36 2HG2 THR 36 -2.617 -3.708 6.646
254 H GLY 37 H GLY 37 -4.717 -1.811 10.765
255 HA2 GLY 37 1HA GLY 37 -6.416 -2.197 12.499
256 HA3 GLY 37 2HA GLY 37 -6.132 -3.918 12.279
257 H GLU 38 H GLU 38 -5.846 -1.919 14.590
258 HA GLU 38 HA GLU 38 -3.201 -2.882 15.434
259 HB2 GLU 38 1HB GLU 38 -4.253 -0.087 15.453
260 HB3 GLU 38 2HB GLU 38 -3.197 -0.596 16.763
261 HG2 GLU 38 1HG GLU 38 -2.338 -1.133 13.972
262 HG3 GLU 38 2HG GLU 38 -2.252 0.520 14.578
263 H LYS 39 H LYS 39 -2.963 -3.289 17.652
264 HA LYS 39 HA LYS 39 -5.503 -3.728 19.040
265 HB2 LYS 39 1HB LYS 39 -2.763 -4.920 19.264
266 HB3 LYS 39 2HB LYS 39 -3.870 -5.024 20.626
267 HG2 LYS 39 1HG LYS 39 -5.426 -6.297 19.391
268 HG3 LYS 39 2HG LYS 39 -4.610 -5.947 17.865
269 HD2 LYS 39 1HD LYS 39 -3.197 -7.393 20.080
270 HD3 LYS 39 2HD LYS 39 -4.252 -8.256 18.959
271 HE2 LYS 39 1HE LYS 39 -2.899 -7.228 17.092
272 HE3 LYS 39 2HE LYS 39 -1.762 -6.686 18.325
273 HZ1 LYS 39 3HZ LYS 39 -1.747 -9.110 17.064
274 HZ2 LYS 39 1HZ LYS 39 -2.387 -9.458 18.591
275 HZ3 LYS 39 2HZ LYS 39 -0.878 -8.704 18.458
276 HA PRO 40 HA PRO 40 -4.382 -0.054 21.395
277 HB2 PRO 40 1HB PRO 40 -6.807 0.188 22.592
278 HB3 PRO 40 2HB PRO 40 -6.491 0.739 20.942
279 HG2 PRO 40 1HG PRO 40 -7.786 -1.793 21.878
280 HG3 PRO 40 2HG PRO 40 -8.261 -0.717 20.551
281 HD2 PRO 40 1HD PRO 40 -6.909 -3.027 20.141
282 HD3 PRO 40 2HD PRO 40 -6.696 -1.600 19.108
283 H SER 41 H SER 41 -3.725 0.225 23.482
284 HA SER 41 HA SER 41 -3.342 -2.058 25.102
285 HB2 SER 41 1HB SER 41 -2.957 0.894 25.588
286 HB3 SER 41 2HB SER 41 -2.621 -0.308 26.834
287 HG SER 41 HG SER 41 -1.521 -0.742 24.313
288 H GLY 42 H GLY 42 -5.386 -2.959 25.503
289 HA2 GLY 42 1HA GLY 42 -6.602 -2.737 27.837
290 HA3 GLY 42 2HA GLY 42 -7.314 -1.361 27.009
291 HA PRO 43 HA PRO 43 -10.451 -4.023 25.482
292 HB2 PRO 43 1HB PRO 43 -11.213 -2.627 23.281
293 HB3 PRO 43 2HB PRO 43 -11.604 -2.114 24.927
294 HG2 PRO 43 1HG PRO 43 -9.418 -1.163 23.116
295 HG3 PRO 43 2HG PRO 43 -10.492 -0.220 24.166
296 HD2 PRO 43 1HD PRO 43 -7.949 -0.837 24.861
297 HD3 PRO 43 2HD PRO 43 -9.252 -0.675 26.055
298 H SER 44 H SER 44 -9.990 -5.934 24.594
299 HA SER 44 HA SER 44 -8.320 -6.039 22.188
300 HB2 SER 44 1HB SER 44 -9.165 -8.229 24.101
301 HB3 SER 44 2HB SER 44 -8.125 -8.462 22.695
302 HG SER 44 HG SER 44 -6.561 -7.943 23.986
303 H SER 45 H SER 45 -9.030 -6.832 20.272
304 HA SER 45 HA SER 45 -10.609 -7.124 18.632
305 HB2 SER 45 1HB SER 45 -10.894 -9.364 20.579
306 HB3 SER 45 2HB SER 45 -12.096 -9.234 19.296
307 HG SER 45 HG SER 45 -10.368 -9.258 17.791
308 H GLY 46 H GLY 46 -11.385 -5.062 20.322
309 HA2 GLY 46 1HA GLY 46 -14.269 -5.519 20.726
310 HA3 GLY 46 2HA GLY 46 -13.325 -4.260 21.508