Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
563344 | 2lvg RC | 18568 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA ALA 1 HA ALA 1 -28.929 1.506 3.430
2 HB1 ALA 1 HB1 ALA 1 -31.431 0.890 3.121
3 HB2 ALA 1 HB2 ALA 1 -30.240 -0.372 2.810
4 HB3 ALA 1 HB3 ALA 1 -30.984 0.488 1.463
5 H SER 2 H SER 2 -27.284 0.365 2.285
6 HA SER 2 HA SER 2 -27.072 0.854 -0.660
7 HB2 SER 2 HB2 SER 2 -25.728 2.307 1.295
8 HB3 SER 2 HB3 SER 2 -24.544 1.096 0.812
9 HG SER 2 HG SER 2 -24.276 2.226 -0.930
10 H ARG 3 H ARG 3 -27.156 -1.281 -1.340
11 HA ARG 3 HA ARG 3 -25.457 -3.298 0.081
12 HB2 ARG 3 HB2 ARG 3 -27.929 -3.650 -0.115
13 HB3 ARG 3 HB3 ARG 3 -27.757 -3.650 -1.871
14 HG2 ARG 3 HG2 ARG 3 -26.358 -5.614 -1.808
15 HG3 ARG 3 HG3 ARG 3 -26.256 -5.548 -0.048
16 HD2 ARG 3 HD2 ARG 3 -28.964 -5.625 -0.366
17 HD3 ARG 3 HD3 ARG 3 -28.441 -6.585 -1.764
18 HE ARG 3 HE ARG 3 -27.865 -7.227 1.080
19 HH11 ARG 3 HH11 ARG 3 -29.210 -9.237 -0.589
20 HH12 ARG 3 HH12 ARG 3 -27.912 -10.258 -1.108
21 HH21 ARG 3 HH21 ARG 3 -25.434 -7.952 -0.316
22 HH22 ARG 3 HH22 ARG 3 -25.764 -9.528 -0.954
23 H ALA 4 H ALA 4 -26.446 -2.323 -3.234
24 HA ALA 4 HA ALA 4 -24.217 -3.826 -4.436
25 HB1 ALA 4 HB1 ALA 4 -26.314 -1.938 -5.561
26 HB2 ALA 4 HB2 ALA 4 -26.445 -3.694 -5.480
27 HB3 ALA 4 HB3 ALA 4 -25.240 -2.947 -6.528
28 H ALA 5 H ALA 5 -25.189 -0.372 -4.222
29 HA ALA 5 HA ALA 5 -22.898 0.729 -5.519
30 HB1 ALA 5 HB1 ALA 5 -24.529 1.938 -3.266
31 HB2 ALA 5 HB2 ALA 5 -25.099 1.831 -4.931
32 HB3 ALA 5 HB3 ALA 5 -23.678 2.803 -4.546
33 H LEU 6 H LEU 6 -23.437 -0.158 -2.106
34 HA LEU 6 HA LEU 6 -21.057 1.035 -1.029
35 HB2 LEU 6 HB2 LEU 6 -23.271 -0.219 -0.061
36 HB3 LEU 6 HB3 LEU 6 -22.087 -1.511 0.117
37 HG LEU 6 HG LEU 6 -22.197 -0.125 2.157
38 HD11 LEU 6 HD11 LEU 6 -20.014 -1.139 1.270
39 HD12 LEU 6 HD12 LEU 6 -19.855 0.161 2.450
40 HD13 LEU 6 HD13 LEU 6 -19.601 0.490 0.736
41 HD21 LEU 6 HD21 LEU 6 -21.765 2.199 2.165
42 HD22 LEU 6 HD22 LEU 6 -22.814 1.976 0.766
43 HD23 LEU 6 HD23 LEU 6 -21.076 2.167 0.542
44 H ILE 7 H ILE 7 -21.701 -2.240 -2.330
45 HA ILE 7 HA ILE 7 -19.084 -3.315 -1.787
46 HB ILE 7 HB ILE 7 -21.286 -3.988 -3.765
47 HG12 ILE 7 HG12 ILE 7 -21.903 -4.275 -1.418
48 HG13 ILE 7 HG13 ILE 7 -21.676 -5.860 -2.152
49 HG21 ILE 7 HG21 ILE 7 -19.425 -5.007 -4.770
50 HG22 ILE 7 HG22 ILE 7 -20.043 -6.283 -3.722
51 HG23 ILE 7 HG23 ILE 7 -18.645 -5.331 -3.222
52 HD11 ILE 7 HD11 ILE 7 -20.429 -6.161 -0.233
53 HD12 ILE 7 HD12 ILE 7 -20.003 -4.454 -0.115
54 HD13 ILE 7 HD13 ILE 7 -19.176 -5.490 -1.277
55 H GLU 8 H GLU 8 -20.442 -1.582 -4.603
56 HA GLU 8 HA GLU 8 -18.216 -1.973 -6.379
57 HB2 GLU 8 HB2 GLU 8 -20.708 -0.904 -6.536
58 HB3 GLU 8 HB3 GLU 8 -19.752 0.577 -6.461
59 HG2 GLU 8 HG2 GLU 8 -18.681 -1.489 -8.286
60 HG3 GLU 8 HG3 GLU 8 -20.240 -0.819 -8.766
61 H GLU 9 H GLU 9 -18.962 0.638 -4.042
62 HA GLU 9 HA GLU 9 -16.663 2.268 -4.594
63 HB2 GLU 9 HB2 GLU 9 -18.926 2.225 -2.879
64 HB3 GLU 9 HB3 GLU 9 -17.514 2.392 -1.835
65 HG2 GLU 9 HG2 GLU 9 -17.757 4.074 -4.320
66 HG3 GLU 9 HG3 GLU 9 -18.598 4.549 -2.844
67 H GLY 10 H GLY 10 -17.199 -0.401 -2.274
68 HA2 GLY 10 HA2 GLY 10 -14.656 -0.194 -0.954
69 HA3 GLY 10 HA3 GLY 10 -15.668 -1.637 -0.986
70 H GLN 11 H GLN 11 -15.761 -2.008 -3.810
71 HA GLN 11 HA GLN 11 -13.391 -3.526 -4.300
72 HB2 GLN 11 HB2 GLN 11 -15.740 -3.645 -5.346
73 HB3 GLN 11 HB3 GLN 11 -15.227 -2.313 -6.384
74 HG2 GLN 11 HG2 GLN 11 -13.412 -3.640 -7.292
75 HG3 GLN 11 HG3 GLN 11 -13.733 -4.942 -6.144
76 HE21 GLN 11 HE21 GLN 11 -15.819 -6.147 -6.419
77 HE22 GLN 11 HE22 GLN 11 -16.584 -6.166 -7.933
78 H ARG 12 H ARG 12 -14.357 -0.261 -5.416
79 HA ARG 12 HA ARG 12 -11.991 0.249 -6.985
80 HB2 ARG 12 HB2 ARG 12 -14.358 1.398 -6.830
81 HB3 ARG 12 HB3 ARG 12 -13.594 2.374 -5.574
82 HG2 ARG 12 HG2 ARG 12 -11.918 3.174 -7.093
83 HG3 ARG 12 HG3 ARG 12 -12.394 2.010 -8.329
84 HD2 ARG 12 HD2 ARG 12 -14.775 3.297 -7.898
85 HD3 ARG 12 HD3 ARG 12 -13.614 4.617 -7.645
86 HE ARG 12 HE ARG 12 -13.599 2.888 -10.096
87 HH11 ARG 12 HH11 ARG 12 -14.946 5.661 -9.962
88 HH12 ARG 12 HH12 ARG 12 -13.724 6.645 -10.694
89 HH21 ARG 12 HH21 ARG 12 -11.234 4.239 -10.388
90 HH22 ARG 12 HH22 ARG 12 -11.614 5.837 -10.935
91 H ILE 13 H ILE 13 -12.886 1.052 -3.612
92 HA ILE 13 HA ILE 13 -10.452 2.466 -2.975
93 HB ILE 13 HB ILE 13 -12.616 1.064 -1.380
94 HG12 ILE 13 HG12 ILE 13 -11.925 4.006 -1.655
95 HG13 ILE 13 HG13 ILE 13 -13.114 3.187 -2.667
96 HG21 ILE 13 HG21 ILE 13 -10.171 2.564 -0.414
97 HG22 ILE 13 HG22 ILE 13 -10.731 0.965 0.078
98 HG23 ILE 13 HG23 ILE 13 -11.623 2.402 0.574
99 HD11 ILE 13 HD11 ILE 13 -13.207 3.590 0.331
100 HD12 ILE 13 HD12 ILE 13 -14.273 2.469 -0.516
101 HD13 ILE 13 HD13 ILE 13 -14.344 4.194 -0.875
102 H ALA 14 H ALA 14 -11.480 -0.934 -2.522
103 HA ALA 14 HA ALA 14 -9.201 -1.884 -1.104
104 HB1 ALA 14 HB1 ALA 14 -9.947 -4.089 -2.115
105 HB2 ALA 14 HB2 ALA 14 -11.100 -3.173 -3.085
106 HB3 ALA 14 HB3 ALA 14 -11.232 -3.174 -1.326
107 H GLU 15 H GLU 15 -9.769 -1.636 -4.635
108 HA GLU 15 HA GLU 15 -7.357 -2.915 -5.497
109 HB2 GLU 15 HB2 GLU 15 -9.504 -2.159 -6.760
110 HB3 GLU 15 HB3 GLU 15 -8.696 -0.596 -6.898
111 HG2 GLU 15 HG2 GLU 15 -7.628 -1.411 -8.710
112 HG3 GLU 15 HG3 GLU 15 -6.740 -2.474 -7.619
113 H MET 16 H MET 16 -8.076 0.549 -4.911
114 HA MET 16 HA MET 16 -5.400 1.477 -5.513
115 HB2 MET 16 HB2 MET 16 -7.864 2.592 -5.181
116 HB3 MET 16 HB3 MET 16 -7.126 2.996 -3.631
117 HG2 MET 16 HG2 MET 16 -5.606 3.468 -6.183
118 HG3 MET 16 HG3 MET 16 -6.816 4.634 -5.649
119 HE1 MET 16 HE1 MET 16 -3.554 4.771 -6.081
120 HE2 MET 16 HE2 MET 16 -3.121 5.936 -4.831
121 HE3 MET 16 HE3 MET 16 -4.549 6.211 -5.824
122 H LEU 17 H LEU 17 -7.100 0.666 -2.468
123 HA LEU 17 HA LEU 17 -4.995 1.419 -0.675
124 HB2 LEU 17 HB2 LEU 17 -7.493 0.839 -0.280
125 HB3 LEU 17 HB3 LEU 17 -6.950 -0.838 -0.234
126 HG LEU 17 HG LEU 17 -5.159 0.104 1.464
127 HD11 LEU 17 HD11 LEU 17 -6.496 1.892 2.864
128 HD12 LEU 17 HD12 LEU 17 -7.270 2.236 1.317
129 HD13 LEU 17 HD13 LEU 17 -5.523 2.407 1.486
130 HD21 LEU 17 HD21 LEU 17 -6.910 -1.558 1.998
131 HD22 LEU 17 HD22 LEU 17 -8.085 -0.257 2.196
132 HD23 LEU 17 HD23 LEU 17 -6.725 -0.396 3.311
133 H LYS 18 H LYS 18 -5.592 -1.535 -2.517
134 HA LYS 18 HA LYS 18 -3.769 -3.294 -1.195
135 HB2 LYS 18 HB2 LYS 18 -5.356 -3.157 -3.603
136 HB3 LYS 18 HB3 LYS 18 -3.762 -3.799 -3.998
137 HG2 LYS 18 HG2 LYS 18 -4.985 -4.888 -1.528
138 HG3 LYS 18 HG3 LYS 18 -5.801 -5.322 -3.030
139 HD2 LYS 18 HD2 LYS 18 -2.808 -5.596 -2.680
140 HD3 LYS 18 HD3 LYS 18 -3.928 -6.896 -2.274
141 HE2 LYS 18 HE2 LYS 18 -4.519 -5.792 -4.911
142 HE3 LYS 18 HE3 LYS 18 -2.854 -6.397 -4.813
143 HZ1 LYS 18 HZ1 LYS 18 -4.390 -8.192 -5.346
144 HZ2 LYS 18 HZ2 LYS 18 -5.291 -7.870 -3.943
145 HZ3 LYS 18 HZ3 LYS 18 -3.695 -8.442 -3.820
146 H SER 19 H SER 19 -3.261 -1.155 -4.027
147 HA SER 19 HA SER 19 -0.436 -1.701 -4.289
148 HB2 SER 19 HB2 SER 19 -2.360 0.425 -5.226
149 HB3 SER 19 HB3 SER 19 -0.639 0.564 -5.575
150 HG SER 19 HG SER 19 -2.496 -1.388 -6.399
151 H LYS 20 H LYS 20 -2.305 0.686 -2.436
152 HA LYS 20 HA LYS 20 -0.163 2.434 -1.693
153 HB2 LYS 20 HB2 LYS 20 -2.897 1.711 -0.733
154 HB3 LYS 20 HB3 LYS 20 -1.866 2.594 0.393
155 HG2 LYS 20 HG2 LYS 20 -1.402 4.157 -1.657
156 HG3 LYS 20 HG3 LYS 20 -2.884 3.454 -2.304
157 HD2 LYS 20 HD2 LYS 20 -3.951 5.059 -1.110
158 HD3 LYS 20 HD3 LYS 20 -3.609 4.043 0.290
159 HE2 LYS 20 HE2 LYS 20 -1.512 5.990 -0.653
160 HE3 LYS 20 HE3 LYS 20 -2.863 6.569 0.340
161 HZ1 LYS 20 HZ1 LYS 20 -2.383 4.706 1.890
162 HZ2 LYS 20 HZ2 LYS 20 -1.127 5.848 1.801
163 HZ3 LYS 20 HZ3 LYS 20 -0.984 4.359 0.995
164 H ILE 21 H ILE 21 -1.433 -0.532 -0.160
165 HA ILE 21 HA ILE 21 0.372 -0.438 2.110
166 HB ILE 21 HB ILE 21 -1.674 -2.231 0.915
167 HG12 ILE 21 HG12 ILE 21 -2.284 -2.389 3.367
168 HG13 ILE 21 HG13 ILE 21 -0.932 -1.309 3.707
169 HG21 ILE 21 HG21 ILE 21 0.551 -3.282 2.687
170 HG22 ILE 21 HG22 ILE 21 0.080 -3.882 1.097
171 HG23 ILE 21 HG23 ILE 21 -0.996 -4.103 2.477
172 HD11 ILE 21 HD11 ILE 21 -1.924 0.407 2.245
173 HD12 ILE 21 HD12 ILE 21 -3.054 -0.054 3.516
174 HD13 ILE 21 HD13 ILE 21 -3.269 -0.673 1.880
175 H GLN 22 H GLN 22 0.494 -1.893 -1.109
176 HA GLN 22 HA GLN 22 2.767 -3.601 -0.713
177 HB2 GLN 22 HB2 GLN 22 1.410 -2.241 -3.032
178 HB3 GLN 22 HB3 GLN 22 2.932 -3.092 -3.299
179 HG2 GLN 22 HG2 GLN 22 1.021 -4.621 -1.673
180 HG3 GLN 22 HG3 GLN 22 0.430 -4.272 -3.297
181 HE21 GLN 22 HE21 GLN 22 3.657 -5.184 -1.904
182 HE22 GLN 22 HE22 GLN 22 3.954 -6.402 -3.047
183 H GLY 23 H GLY 23 2.514 -0.217 -1.870
184 HA2 GLY 23 HA2 GLY 23 5.334 0.191 -2.227
185 HA3 GLY 23 HA3 GLY 23 4.140 1.474 -2.013
186 H LEU 24 H LEU 24 3.159 0.656 0.554
187 HA LEU 24 HA LEU 24 5.049 1.924 2.306
188 HB2 LEU 24 HB2 LEU 24 2.438 0.505 2.462
189 HB3 LEU 24 HB3 LEU 24 3.358 0.587 3.964
190 HG LEU 24 HG LEU 24 2.883 3.030 2.250
191 HD11 LEU 24 HD11 LEU 24 0.683 2.172 2.840
192 HD12 LEU 24 HD12 LEU 24 1.038 3.567 3.858
193 HD13 LEU 24 HD13 LEU 24 1.185 1.936 4.513
194 HD21 LEU 24 HD21 LEU 24 4.672 3.218 3.895
195 HD22 LEU 24 HD22 LEU 24 3.626 2.569 5.157
196 HD23 LEU 24 HD23 LEU 24 3.287 4.153 4.458
197 H LEU 25 H LEU 25 4.259 -1.511 1.719
198 HA LEU 25 HA LEU 25 5.880 -2.652 3.785
199 HB2 LEU 25 HB2 LEU 25 4.374 -3.454 1.426
200 HB3 LEU 25 HB3 LEU 25 5.854 -4.401 1.577
201 HG LEU 25 HG LEU 25 5.219 -4.753 4.027
202 HD11 LEU 25 HD11 LEU 25 2.993 -4.309 4.724
203 HD12 LEU 25 HD12 LEU 25 2.453 -3.993 3.075
204 HD13 LEU 25 HD13 LEU 25 3.500 -2.836 3.897
205 HD21 LEU 25 HD21 LEU 25 3.729 -5.864 1.662
206 HD22 LEU 25 HD22 LEU 25 3.293 -6.387 3.289
207 HD23 LEU 25 HD23 LEU 25 4.929 -6.649 2.688
208 H GLN 26 H GLN 26 6.635 -1.893 0.363
209 HA GLN 26 HA GLN 26 9.314 -2.904 0.348
210 HB2 GLN 26 HB2 GLN 26 7.507 -1.576 -1.373
211 HB3 GLN 26 HB3 GLN 26 8.936 -0.545 -1.306
212 HG2 GLN 26 HG2 GLN 26 9.829 -1.947 -2.843
213 HG3 GLN 26 HG3 GLN 26 10.022 -3.087 -1.510
214 HE21 GLN 26 HE21 GLN 26 7.718 -2.134 -4.102
215 HE22 GLN 26 HE22 GLN 26 6.966 -3.652 -4.200
216 H GLN 27 H GLN 27 8.008 0.323 1.165
217 HA GLN 27 HA GLN 27 10.544 1.612 1.607
218 HB2 GLN 27 HB2 GLN 27 7.804 2.238 1.616
219 HB3 GLN 27 HB3 GLN 27 8.348 2.584 3.258
220 HG2 GLN 27 HG2 GLN 27 9.521 4.396 2.591
221 HG3 GLN 27 HG3 GLN 27 10.251 3.521 1.245
222 HE21 GLN 27 HE21 GLN 27 6.818 4.422 1.983
223 HE22 GLN 27 HE22 GLN 27 6.548 5.167 0.482
224 H ALA 28 H ALA 28 8.326 -0.158 3.741
225 HA ALA 28 HA ALA 28 9.623 0.338 6.233
226 HB1 ALA 28 HB1 ALA 28 8.526 -2.026 6.678
227 HB2 ALA 28 HB2 ALA 28 7.843 -1.783 5.070
228 HB3 ALA 28 HB3 ALA 28 7.497 -0.629 6.358
229 H SER 29 H SER 29 10.164 -2.183 3.783
230 HA SER 29 HA SER 29 12.146 -3.678 5.243
231 HB2 SER 29 HB2 SER 29 10.746 -4.181 3.078
232 HB3 SER 29 HB3 SER 29 12.083 -3.395 2.242
233 HG SER 29 HG SER 29 13.471 -4.927 3.058
234 H LYS 30 H LYS 30 12.372 -0.930 2.969
235 HA LYS 30 HA LYS 30 15.249 -0.870 2.799
236 HB2 LYS 30 HB2 LYS 30 13.244 0.307 1.474
237 HB3 LYS 30 HB3 LYS 30 13.582 1.614 2.610
238 HG2 LYS 30 HG2 LYS 30 15.916 0.346 1.241
239 HG3 LYS 30 HG3 LYS 30 14.885 1.405 0.278
240 HD2 LYS 30 HD2 LYS 30 15.267 3.263 1.727
241 HD3 LYS 30 HD3 LYS 30 15.980 2.238 2.973
242 HE2 LYS 30 HE2 LYS 30 18.033 2.296 1.988
243 HE3 LYS 30 HE3 LYS 30 17.353 2.023 0.373
244 HZ1 LYS 30 HZ1 LYS 30 18.277 4.251 0.543
245 HZ2 LYS 30 HZ2 LYS 30 17.286 4.587 1.881
246 HZ3 LYS 30 HZ3 LYS 30 16.592 4.329 0.349
247 H GLN 31 H GLN 31 12.918 0.647 5.030
248 HA GLN 31 HA GLN 31 14.820 2.342 6.392
249 HB2 GLN 31 HB2 GLN 31 12.061 1.819 6.387
250 HB3 GLN 31 HB3 GLN 31 12.590 1.387 8.013
251 HG2 GLN 31 HG2 GLN 31 12.234 3.653 8.309
252 HG3 GLN 31 HG3 GLN 31 13.926 3.679 7.815
253 HE21 GLN 31 HE21 GLN 31 12.166 5.925 7.382
254 HE22 GLN 31 HE22 GLN 31 11.964 6.117 5.708
255 H ALA 32 H ALA 32 14.008 -1.067 6.667
256 HA ALA 32 HA ALA 32 15.391 -1.361 9.271
257 HB1 ALA 32 HB1 ALA 32 14.713 -3.809 8.759
258 HB2 ALA 32 HB2 ALA 32 13.846 -3.139 7.377
259 HB3 ALA 32 HB3 ALA 32 13.411 -2.647 9.015
260 H GLN 33 H GLN 33 15.854 -2.247 5.845
261 HA GLN 33 HA GLN 33 18.420 -3.602 6.427
262 HB2 GLN 33 HB2 GLN 33 16.707 -3.083 3.989
263 HB3 GLN 33 HB3 GLN 33 18.302 -3.821 3.854
264 HG2 GLN 33 HG2 GLN 33 17.616 -5.624 5.378
265 HG3 GLN 33 HG3 GLN 33 16.029 -4.878 5.560
266 HE21 GLN 33 HE21 GLN 33 17.905 -7.015 3.587
267 HE22 GLN 33 HE22 GLN 33 16.768 -7.210 2.342
268 H ASP 34 H ASP 34 17.332 -0.824 4.432
269 HA ASP 34 HA ASP 34 18.493 1.067 3.642
270 HB2 ASP 34 HB2 ASP 34 19.538 0.443 6.375
271 HB3 ASP 34 HB3 ASP 34 20.375 1.684 5.445
272 H ILE 35 H ILE 35 19.512 -1.679 2.862
273 HA ILE 35 HA ILE 35 21.466 -2.732 2.008
274 HB ILE 35 HB ILE 35 22.339 -1.288 0.139
275 HG12 ILE 35 HG12 ILE 35 20.350 0.774 1.125
276 HG13 ILE 35 HG13 ILE 35 22.071 0.869 1.500
277 HG21 ILE 35 HG21 ILE 35 19.355 -1.501 0.598
278 HG22 ILE 35 HG22 ILE 35 20.392 -2.610 -0.300
279 HG23 ILE 35 HG23 ILE 35 20.056 -1.001 -0.941
280 HD11 ILE 35 HD11 ILE 35 22.652 1.403 -0.649
281 HD12 ILE 35 HD12 ILE 35 20.997 2.010 -0.695
282 HD13 ILE 35 HD13 ILE 35 21.371 0.417 -1.353
283 H GLN 36 H GLN 36 22.127 -1.754 4.594
284 HA GLN 36 HA GLN 36 24.984 -0.948 4.155
285 HB2 GLN 36 HB2 GLN 36 22.824 0.237 5.874
286 HB3 GLN 36 HB3 GLN 36 24.494 0.317 6.435
287 HG2 GLN 36 HG2 GLN 36 25.187 1.541 4.504
288 HG3 GLN 36 HG3 GLN 36 23.674 1.205 3.661
289 HE21 GLN 36 HE21 GLN 36 25.034 3.025 6.438
290 HE22 GLN 36 HE22 GLN 36 23.768 4.154 6.514
291 HA PRO 37 HA PRO 37 24.767 -4.727 6.761
292 HB2 PRO 37 HB2 PRO 37 27.046 -5.853 5.743
293 HB3 PRO 37 HB3 PRO 37 25.452 -6.035 4.983
294 HG2 PRO 37 HG2 PRO 37 27.699 -4.225 4.258
295 HG3 PRO 37 HG3 PRO 37 26.579 -5.111 3.212
296 HD2 PRO 37 HD2 PRO 37 26.353 -2.446 3.757
297 HD3 PRO 37 HD3 PRO 37 24.976 -3.486 3.332
298 H ALA 38 H ALA 38 25.803 -4.902 8.741
299 HA ALA 38 HA ALA 38 28.027 -2.999 9.307
300 HB1 ALA 38 HB1 ALA 38 25.853 -3.090 10.618
301 HB2 ALA 38 HB2 ALA 38 27.309 -3.249 11.601
302 HB3 ALA 38 HB3 ALA 38 26.355 -4.677 11.202
303 H MET 39 H MET 39 27.168 -6.437 9.907
304 HA MET 39 HA MET 39 29.833 -7.111 10.876
305 HB2 MET 39 HB2 MET 39 28.903 -9.388 10.907
306 HB3 MET 39 HB3 MET 39 27.735 -8.247 11.568
307 HG2 MET 39 HG2 MET 39 26.348 -8.376 9.690
308 HG3 MET 39 HG3 MET 39 27.654 -8.915 8.635
309 HE1 MET 39 HE1 MET 39 28.967 -10.722 8.989
310 HE2 MET 39 HE2 MET 39 27.991 -12.039 8.343
311 HE3 MET 39 HE3 MET 39 28.672 -12.169 9.962
312 H GLN 40 H GLN 40 28.317 -7.003 7.715
313 HA GLN 40 HA GLN 40 30.637 -8.479 6.524
314 HB2 GLN 40 HB2 GLN 40 27.767 -7.979 5.745
315 HB3 GLN 40 HB3 GLN 40 28.950 -8.452 4.525
316 HG2 GLN 40 HG2 GLN 40 29.316 -10.545 5.494
317 HG3 GLN 40 HG3 GLN 40 28.752 -10.020 7.079
318 HE21 GLN 40 HE21 GLN 40 27.647 -11.015 3.839
319 HE22 GLN 40 HE22 GLN 40 26.038 -11.304 4.297
Start of MODEL 2
1 HA ALA 1 HA ALA 1 -27.531 1.942 1.015
2 HB1 ALA 1 HB1 ALA 1 -25.807 -0.159 2.367
3 HB2 ALA 1 HB2 ALA 1 -25.618 1.591 2.476
4 HB3 ALA 1 HB3 ALA 1 -25.299 0.763 0.952
5 H SER 2 H SER 2 -26.938 0.862 -1.089
6 HA SER 2 HA SER 2 -28.691 -1.498 -1.570
7 HB2 SER 2 HB2 SER 2 -28.827 0.632 -2.912
8 HB3 SER 2 HB3 SER 2 -27.198 0.310 -3.499
9 HG SER 2 HG SER 2 -29.598 -0.834 -4.193
10 H ARG 3 H ARG 3 -27.854 -3.324 -2.806
11 HA ARG 3 HA ARG 3 -25.313 -4.320 -1.956
12 HB2 ARG 3 HB2 ARG 3 -25.798 -6.104 -3.612
13 HB3 ARG 3 HB3 ARG 3 -27.228 -5.706 -2.660
14 HG2 ARG 3 HG2 ARG 3 -28.127 -4.356 -4.463
15 HG3 ARG 3 HG3 ARG 3 -26.639 -4.530 -5.393
16 HD2 ARG 3 HD2 ARG 3 -27.182 -7.132 -5.084
17 HD3 ARG 3 HD3 ARG 3 -28.839 -6.505 -4.959
18 HE ARG 3 HE ARG 3 -28.549 -5.461 -7.164
19 HH11 ARG 3 HH11 ARG 3 -27.880 -8.367 -7.622
20 HH12 ARG 3 HH12 ARG 3 -26.405 -8.254 -8.521
21 HH21 ARG 3 HH21 ARG 3 -25.829 -4.936 -7.664
22 HH22 ARG 3 HH22 ARG 3 -25.239 -6.304 -8.547
23 H ALA 4 H ALA 4 -26.252 -2.502 -4.852
24 HA ALA 4 HA ALA 4 -23.763 -2.945 -6.295
25 HB1 ALA 4 HB1 ALA 4 -24.697 -1.194 -7.761
26 HB2 ALA 4 HB2 ALA 4 -25.890 -0.787 -6.528
27 HB3 ALA 4 HB3 ALA 4 -25.949 -2.358 -7.327
28 H ALA 5 H ALA 5 -25.039 -0.323 -4.225
29 HA ALA 5 HA ALA 5 -22.796 1.460 -4.529
30 HB1 ALA 5 HB1 ALA 5 -25.209 1.823 -3.640
31 HB2 ALA 5 HB2 ALA 5 -23.903 2.696 -2.838
32 HB3 ALA 5 HB3 ALA 5 -24.577 1.241 -2.100
33 H LEU 6 H LEU 6 -23.527 -1.138 -2.194
34 HA LEU 6 HA LEU 6 -21.372 -0.660 -0.372
35 HB2 LEU 6 HB2 LEU 6 -23.459 -2.172 -0.214
36 HB3 LEU 6 HB3 LEU 6 -22.518 -3.359 -1.117
37 HG LEU 6 HG LEU 6 -20.685 -2.860 0.714
38 HD11 LEU 6 HD11 LEU 6 -21.979 -2.517 2.939
39 HD12 LEU 6 HD12 LEU 6 -23.259 -1.853 1.924
40 HD13 LEU 6 HD13 LEU 6 -21.666 -1.098 1.942
41 HD21 LEU 6 HD21 LEU 6 -23.179 -4.461 1.374
42 HD22 LEU 6 HD22 LEU 6 -21.565 -4.718 2.039
43 HD23 LEU 6 HD23 LEU 6 -21.874 -5.024 0.330
44 H ILE 7 H ILE 7 -21.557 -2.697 -3.314
45 HA ILE 7 HA ILE 7 -18.864 -3.743 -3.087
46 HB ILE 7 HB ILE 7 -20.870 -3.473 -5.351
47 HG12 ILE 7 HG12 ILE 7 -19.953 -5.936 -3.840
48 HG13 ILE 7 HG13 ILE 7 -21.346 -4.977 -3.344
49 HG21 ILE 7 HG21 ILE 7 -18.105 -4.666 -5.287
50 HG22 ILE 7 HG22 ILE 7 -18.862 -3.687 -6.544
51 HG23 ILE 7 HG23 ILE 7 -19.344 -5.369 -6.327
52 HD11 ILE 7 HD11 ILE 7 -20.984 -6.368 -6.014
53 HD12 ILE 7 HD12 ILE 7 -22.343 -5.322 -5.604
54 HD13 ILE 7 HD13 ILE 7 -22.104 -6.836 -4.733
55 H GLU 8 H GLU 8 -20.299 -0.972 -4.826
56 HA GLU 8 HA GLU 8 -18.028 -0.170 -6.346
57 HB2 GLU 8 HB2 GLU 8 -20.362 0.648 -6.593
58 HB3 GLU 8 HB3 GLU 8 -20.218 1.492 -5.052
59 HG2 GLU 8 HG2 GLU 8 -18.419 2.890 -5.942
60 HG3 GLU 8 HG3 GLU 8 -18.448 2.001 -7.465
61 H GLU 9 H GLU 9 -19.018 0.765 -3.028
62 HA GLU 9 HA GLU 9 -16.944 2.661 -2.520
63 HB2 GLU 9 HB2 GLU 9 -19.124 2.027 -1.243
64 HB3 GLU 9 HB3 GLU 9 -18.132 0.796 -0.462
65 HG2 GLU 9 HG2 GLU 9 -17.208 3.663 -0.563
66 HG3 GLU 9 HG3 GLU 9 -18.336 3.129 0.682
67 H GLY 10 H GLY 10 -17.105 -0.807 -1.584
68 HA2 GLY 10 HA2 GLY 10 -14.440 -0.936 -0.549
69 HA3 GLY 10 HA3 GLY 10 -15.395 -2.326 -1.058
70 H GLN 11 H GLN 11 -15.743 -1.541 -3.813
71 HA GLN 11 HA GLN 11 -13.391 -2.639 -4.997
72 HB2 GLN 11 HB2 GLN 11 -15.613 -2.656 -6.033
73 HB3 GLN 11 HB3 GLN 11 -15.609 -0.896 -6.126
74 HG2 GLN 11 HG2 GLN 11 -15.012 -1.944 -8.303
75 HG3 GLN 11 HG3 GLN 11 -13.702 -0.951 -7.666
76 HE21 GLN 11 HE21 GLN 11 -14.787 -4.380 -7.207
77 HE22 GLN 11 HE22 GLN 11 -13.233 -5.039 -7.386
78 H ARG 12 H ARG 12 -14.474 0.774 -4.788
79 HA ARG 12 HA ARG 12 -12.288 1.948 -6.196
80 HB2 ARG 12 HB2 ARG 12 -14.451 2.748 -4.350
81 HB3 ARG 12 HB3 ARG 12 -13.061 3.832 -4.352
82 HG2 ARG 12 HG2 ARG 12 -13.917 2.959 -7.037
83 HG3 ARG 12 HG3 ARG 12 -15.109 3.934 -6.177
84 HD2 ARG 12 HD2 ARG 12 -12.520 5.123 -5.775
85 HD3 ARG 12 HD3 ARG 12 -12.764 4.858 -7.513
86 HE ARG 12 HE ARG 12 -14.722 6.259 -7.425
87 HH11 ARG 12 HH11 ARG 12 -15.839 5.428 -4.795
88 HH12 ARG 12 HH12 ARG 12 -15.570 6.828 -3.811
89 HH21 ARG 12 HH21 ARG 12 -13.226 8.216 -5.972
90 HH22 ARG 12 HH22 ARG 12 -14.080 8.409 -4.478
91 H ILE 13 H ILE 13 -12.599 1.008 -2.773
92 HA ILE 13 HA ILE 13 -9.977 2.202 -2.100
93 HB ILE 13 HB ILE 13 -11.937 0.530 -0.490
94 HG12 ILE 13 HG12 ILE 13 -13.022 2.567 -1.276
95 HG13 ILE 13 HG13 ILE 13 -12.640 2.757 0.433
96 HG21 ILE 13 HG21 ILE 13 -9.931 0.483 0.722
97 HG22 ILE 13 HG22 ILE 13 -10.743 1.898 1.391
98 HG23 ILE 13 HG23 ILE 13 -9.462 2.099 0.196
99 HD11 ILE 13 HD11 ILE 13 -11.103 3.898 -1.918
100 HD12 ILE 13 HD12 ILE 13 -10.518 3.939 -0.255
101 HD13 ILE 13 HD13 ILE 13 -11.995 4.797 -0.690
102 H ALA 14 H ALA 14 -11.386 -1.012 -2.659
103 HA ALA 14 HA ALA 14 -9.418 -2.720 -1.624
104 HB1 ALA 14 HB1 ALA 14 -11.208 -2.789 -4.051
105 HB2 ALA 14 HB2 ALA 14 -11.382 -3.663 -2.529
106 HB3 ALA 14 HB3 ALA 14 -10.140 -4.145 -3.687
107 H GLU 15 H GLU 15 -9.489 -1.676 -5.068
108 HA GLU 15 HA GLU 15 -6.809 -2.589 -5.605
109 HB2 GLU 15 HB2 GLU 15 -8.639 -0.610 -7.002
110 HB3 GLU 15 HB3 GLU 15 -7.177 -1.292 -7.716
111 HG2 GLU 15 HG2 GLU 15 -8.373 -3.578 -6.926
112 HG3 GLU 15 HG3 GLU 15 -9.807 -2.585 -7.185
113 H MET 16 H MET 16 -8.130 0.564 -4.619
114 HA MET 16 HA MET 16 -5.820 2.180 -5.075
115 HB2 MET 16 HB2 MET 16 -8.395 2.394 -3.947
116 HB3 MET 16 HB3 MET 16 -7.289 2.887 -2.669
117 HG2 MET 16 HG2 MET 16 -7.821 4.858 -3.947
118 HG3 MET 16 HG3 MET 16 -6.167 4.406 -4.354
119 HE1 MET 16 HE1 MET 16 -8.072 5.902 -7.544
120 HE2 MET 16 HE2 MET 16 -6.790 6.199 -6.373
121 HE3 MET 16 HE3 MET 16 -8.472 6.214 -5.850
122 H LEU 17 H LEU 17 -6.836 0.395 -2.129
123 HA LEU 17 HA LEU 17 -4.348 1.049 -0.723
124 HB2 LEU 17 HB2 LEU 17 -6.951 0.229 -0.085
125 HB3 LEU 17 HB3 LEU 17 -5.932 -1.136 0.371
126 HG LEU 17 HG LEU 17 -5.435 1.740 1.202
127 HD11 LEU 17 HD11 LEU 17 -6.192 1.023 3.423
128 HD12 LEU 17 HD12 LEU 17 -6.515 -0.598 2.808
129 HD13 LEU 17 HD13 LEU 17 -7.473 0.770 2.238
130 HD21 LEU 17 HD21 LEU 17 -4.109 -0.900 1.879
131 HD22 LEU 17 HD22 LEU 17 -3.875 0.562 2.838
132 HD23 LEU 17 HD23 LEU 17 -3.363 0.523 1.151
133 H LYS 18 H LYS 18 -5.424 -1.506 -2.832
134 HA LYS 18 HA LYS 18 -3.741 -3.647 -1.936
135 HB2 LYS 18 HB2 LYS 18 -5.660 -3.765 -3.553
136 HB3 LYS 18 HB3 LYS 18 -4.658 -2.946 -4.749
137 HG2 LYS 18 HG2 LYS 18 -3.283 -4.781 -5.060
138 HG3 LYS 18 HG3 LYS 18 -3.555 -5.393 -3.428
139 HD2 LYS 18 HD2 LYS 18 -5.889 -5.985 -4.074
140 HD3 LYS 18 HD3 LYS 18 -5.539 -5.462 -5.722
141 HE2 LYS 18 HE2 LYS 18 -4.137 -7.274 -6.145
142 HE3 LYS 18 HE3 LYS 18 -3.714 -7.476 -4.434
143 HZ1 LYS 18 HZ1 LYS 18 -5.943 -8.217 -3.969
144 HZ2 LYS 18 HZ2 LYS 18 -5.297 -9.176 -5.213
145 HZ3 LYS 18 HZ3 LYS 18 -6.419 -7.952 -5.577
146 H SER 19 H SER 19 -3.183 -1.106 -4.411
147 HA SER 19 HA SER 19 -0.463 -1.943 -4.993
148 HB2 SER 19 HB2 SER 19 -2.119 0.547 -5.463
149 HB3 SER 19 HB3 SER 19 -0.447 0.431 -6.003
150 HG SER 19 HG SER 19 -1.011 -1.011 -7.472
151 H LYS 20 H LYS 20 -1.950 0.423 -2.791
152 HA LYS 20 HA LYS 20 0.488 1.686 -1.914
153 HB2 LYS 20 HB2 LYS 20 -2.345 1.417 -0.927
154 HB3 LYS 20 HB3 LYS 20 -1.137 2.200 0.091
155 HG2 LYS 20 HG2 LYS 20 -0.662 3.847 -1.611
156 HG3 LYS 20 HG3 LYS 20 -1.662 2.992 -2.786
157 HD2 LYS 20 HD2 LYS 20 -3.631 3.361 -1.235
158 HD3 LYS 20 HD3 LYS 20 -2.592 4.416 -0.279
159 HE2 LYS 20 HE2 LYS 20 -3.621 5.955 -1.731
160 HE3 LYS 20 HE3 LYS 20 -2.134 5.578 -2.622
161 HZ1 LYS 20 HZ1 LYS 20 -4.149 5.331 -4.001
162 HZ2 LYS 20 HZ2 LYS 20 -4.713 4.127 -2.943
163 HZ3 LYS 20 HZ3 LYS 20 -3.294 3.874 -3.843
164 H ILE 21 H ILE 21 -1.422 -1.061 -0.608
165 HA ILE 21 HA ILE 21 0.142 -1.475 1.750
166 HB ILE 21 HB ILE 21 -2.160 -2.471 0.744
167 HG12 ILE 21 HG12 ILE 21 -1.912 -4.300 2.525
168 HG13 ILE 21 HG13 ILE 21 -0.280 -3.681 2.779
169 HG21 ILE 21 HG21 ILE 21 -1.960 -4.759 0.071
170 HG22 ILE 21 HG22 ILE 21 -0.238 -4.790 0.450
171 HG23 ILE 21 HG23 ILE 21 -0.822 -3.850 -0.923
172 HD11 ILE 21 HD11 ILE 21 -1.316 -1.390 3.123
173 HD12 ILE 21 HD12 ILE 21 -1.700 -2.573 4.373
174 HD13 ILE 21 HD13 ILE 21 -2.889 -2.186 3.131
175 H GLN 22 H GLN 22 0.660 -2.429 -1.591
176 HA GLN 22 HA GLN 22 2.778 -4.353 -1.050
177 HB2 GLN 22 HB2 GLN 22 1.210 -4.003 -3.114
178 HB3 GLN 22 HB3 GLN 22 2.393 -2.789 -3.604
179 HG2 GLN 22 HG2 GLN 22 3.866 -5.081 -2.808
180 HG3 GLN 22 HG3 GLN 22 2.557 -5.655 -3.841
181 HE21 GLN 22 HE21 GLN 22 5.331 -3.398 -3.755
182 HE22 GLN 22 HE22 GLN 22 5.473 -3.261 -5.441
183 H GLY 23 H GLY 23 2.658 -0.888 -1.906
184 HA2 GLY 23 HA2 GLY 23 5.554 -0.607 -2.041
185 HA3 GLY 23 HA3 GLY 23 4.385 0.716 -2.023
186 H LEU 24 H LEU 24 3.047 0.027 0.411
187 HA LEU 24 HA LEU 24 4.668 1.326 2.363
188 HB2 LEU 24 HB2 LEU 24 2.083 -0.083 2.174
189 HB3 LEU 24 HB3 LEU 24 2.807 -0.149 3.779
190 HG LEU 24 HG LEU 24 1.330 1.832 3.497
191 HD11 LEU 24 HD11 LEU 24 4.219 2.714 3.669
192 HD12 LEU 24 HD12 LEU 24 3.426 1.811 4.960
193 HD13 LEU 24 HD13 LEU 24 2.822 3.401 4.498
194 HD21 LEU 24 HD21 LEU 24 1.592 2.295 1.146
195 HD22 LEU 24 HD22 LEU 24 3.334 2.506 1.322
196 HD23 LEU 24 HD23 LEU 24 2.228 3.688 2.021
197 H LEU 25 H LEU 25 4.009 -2.153 1.846
198 HA LEU 25 HA LEU 25 5.456 -3.168 4.094
199 HB2 LEU 25 HB2 LEU 25 3.824 -4.278 2.413
200 HB3 LEU 25 HB3 LEU 25 5.240 -4.494 1.385
201 HG LEU 25 HG LEU 25 6.314 -5.509 3.563
202 HD11 LEU 25 HD11 LEU 25 3.338 -5.618 4.088
203 HD12 LEU 25 HD12 LEU 25 4.615 -5.055 5.166
204 HD13 LEU 25 HD13 LEU 25 4.454 -6.775 4.813
205 HD21 LEU 25 HD21 LEU 25 5.941 -6.802 1.536
206 HD22 LEU 25 HD22 LEU 25 4.214 -6.909 1.877
207 HD23 LEU 25 HD23 LEU 25 5.371 -7.746 2.912
208 H GLN 26 H GLN 26 6.506 -2.523 0.735
209 HA GLN 26 HA GLN 26 9.247 -3.391 1.163
210 HB2 GLN 26 HB2 GLN 26 7.682 -3.030 -0.983
211 HB3 GLN 26 HB3 GLN 26 8.463 -1.448 -0.975
212 HG2 GLN 26 HG2 GLN 26 9.794 -2.926 -2.356
213 HG3 GLN 26 HG3 GLN 26 10.687 -2.625 -0.866
214 HE21 GLN 26 HE21 GLN 26 8.206 -4.990 -2.056
215 HE22 GLN 26 HE22 GLN 26 8.940 -6.333 -1.322
216 H GLN 27 H GLN 27 7.539 -0.284 1.366
217 HA GLN 27 HA GLN 27 9.858 1.414 1.521
218 HB2 GLN 27 HB2 GLN 27 6.954 1.576 2.296
219 HB3 GLN 27 HB3 GLN 27 8.051 2.892 2.713
220 HG2 GLN 27 HG2 GLN 27 8.072 1.842 -0.094
221 HG3 GLN 27 HG3 GLN 27 6.756 2.907 0.401
222 HE21 GLN 27 HE21 GLN 27 7.447 5.068 1.366
223 HE22 GLN 27 HE22 GLN 27 8.896 5.762 0.821
224 H ALA 28 H ALA 28 7.880 -0.182 4.005
225 HA ALA 28 HA ALA 28 9.119 0.916 6.323
226 HB1 ALA 28 HB1 ALA 28 6.995 -0.405 6.187
227 HB2 ALA 28 HB2 ALA 28 8.089 -1.003 7.435
228 HB3 ALA 28 HB3 ALA 28 7.958 -1.853 5.896
229 H SER 29 H SER 29 9.900 -1.987 4.433
230 HA SER 29 HA SER 29 12.119 -2.840 6.091
231 HB2 SER 29 HB2 SER 29 10.725 -4.242 4.525
232 HB3 SER 29 HB3 SER 29 11.504 -3.425 3.174
233 HG SER 29 HG SER 29 12.533 -5.266 5.016
234 H LYS 30 H LYS 30 11.839 -0.811 3.174
235 HA LYS 30 HA LYS 30 14.592 -0.649 2.475
236 HB2 LYS 30 HB2 LYS 30 12.083 0.616 1.841
237 HB3 LYS 30 HB3 LYS 30 13.330 1.853 1.991
238 HG2 LYS 30 HG2 LYS 30 14.650 -0.102 0.580
239 HG3 LYS 30 HG3 LYS 30 13.009 -0.249 -0.048
240 HD2 LYS 30 HD2 LYS 30 13.104 2.353 -0.235
241 HD3 LYS 30 HD3 LYS 30 14.851 2.134 -0.121
242 HE2 LYS 30 HE2 LYS 30 14.963 0.938 -2.147
243 HE3 LYS 30 HE3 LYS 30 13.240 0.515 -2.100
244 HZ1 LYS 30 HZ1 LYS 30 13.539 2.321 -3.639
245 HZ2 LYS 30 HZ2 LYS 30 14.397 3.229 -2.486
246 HZ3 LYS 30 HZ3 LYS 30 12.738 2.920 -2.267
247 H GLN 31 H GLN 31 12.723 1.275 4.844
248 HA GLN 31 HA GLN 31 14.755 3.216 5.406
249 HB2 GLN 31 HB2 GLN 31 12.454 2.049 6.990
250 HB3 GLN 31 HB3 GLN 31 13.417 3.407 7.572
251 HG2 GLN 31 HG2 GLN 31 12.777 4.773 5.704
252 HG3 GLN 31 HG3 GLN 31 12.047 3.400 4.871
253 HE21 GLN 31 HE21 GLN 31 10.389 2.217 6.650
254 HE22 GLN 31 HE22 GLN 31 9.264 3.309 7.297
255 H ALA 32 H ALA 32 14.115 0.013 6.870
256 HA ALA 32 HA ALA 32 16.381 0.356 8.749
257 HB1 ALA 32 HB1 ALA 32 15.466 -1.570 9.804
258 HB2 ALA 32 HB2 ALA 32 14.622 -2.065 8.336
259 HB3 ALA 32 HB3 ALA 32 14.071 -0.652 9.235
260 H GLN 33 H GLN 33 15.591 -1.603 5.859
261 HA GLN 33 HA GLN 33 18.250 -2.952 6.084
262 HB2 GLN 33 HB2 GLN 33 15.615 -3.709 5.346
263 HB3 GLN 33 HB3 GLN 33 16.609 -3.849 3.896
264 HG2 GLN 33 HG2 GLN 33 17.547 -4.956 6.542
265 HG3 GLN 33 HG3 GLN 33 16.506 -5.897 5.475
266 HE21 GLN 33 HE21 GLN 33 17.374 -6.388 3.262
267 HE22 GLN 33 HE22 GLN 33 19.051 -6.401 3.007
268 H ASP 34 H ASP 34 16.983 -0.235 4.501
269 HA ASP 34 HA ASP 34 19.194 -0.343 2.511
270 HB2 ASP 34 HB2 ASP 34 17.056 -1.282 1.542
271 HB3 ASP 34 HB3 ASP 34 16.314 0.296 1.801
272 H ILE 35 H ILE 35 19.919 1.293 4.193
273 HA ILE 35 HA ILE 35 18.507 3.870 4.298
274 HB ILE 35 HB ILE 35 21.275 3.045 5.263
275 HG12 ILE 35 HG12 ILE 35 19.371 3.239 7.383
276 HG13 ILE 35 HG13 ILE 35 18.667 2.208 6.139
277 HG21 ILE 35 HG21 ILE 35 21.217 5.382 5.410
278 HG22 ILE 35 HG22 ILE 35 20.616 4.899 6.995
279 HG23 ILE 35 HG23 ILE 35 19.486 5.417 5.744
280 HD11 ILE 35 HD11 ILE 35 20.214 1.128 7.951
281 HD12 ILE 35 HD12 ILE 35 21.526 1.802 6.985
282 HD13 ILE 35 HD13 ILE 35 20.406 0.643 6.267
283 H GLN 36 H GLN 36 18.940 3.375 1.656
284 HA GLN 36 HA GLN 36 21.474 4.625 0.775
285 HB2 GLN 36 HB2 GLN 36 19.138 3.187 -0.456
286 HB3 GLN 36 HB3 GLN 36 20.190 4.154 -1.490
287 HG2 GLN 36 HG2 GLN 36 22.099 2.841 -0.174
288 HG3 GLN 36 HG3 GLN 36 20.806 1.658 0.038
289 HE21 GLN 36 HE21 GLN 36 22.145 3.702 -2.640
290 HE22 GLN 36 HE22 GLN 36 22.027 2.480 -3.812
291 HA PRO 37 HA PRO 37 19.722 8.639 0.283
292 HB2 PRO 37 HB2 PRO 37 21.258 9.582 -1.781
293 HB3 PRO 37 HB3 PRO 37 21.867 9.405 -0.123
294 HG2 PRO 37 HG2 PRO 37 22.254 7.631 -2.482
295 HG3 PRO 37 HG3 PRO 37 23.398 8.084 -1.209
296 HD2 PRO 37 HD2 PRO 37 22.098 5.692 -1.275
297 HD3 PRO 37 HD3 PRO 37 22.640 6.472 0.227
298 H ALA 38 H ALA 38 18.626 10.017 -1.427
299 HA ALA 38 HA ALA 38 17.255 8.270 -3.436
300 HB1 ALA 38 HB1 ALA 38 15.458 9.947 -3.239
301 HB2 ALA 38 HB2 ALA 38 16.481 10.931 -2.192
302 HB3 ALA 38 HB3 ALA 38 15.919 9.353 -1.643
303 H MET 39 H MET 39 18.732 11.514 -3.054
304 HA MET 39 HA MET 39 18.545 12.032 -5.958
305 HB2 MET 39 HB2 MET 39 18.197 13.705 -4.053
306 HB3 MET 39 HB3 MET 39 19.941 13.638 -3.799
307 HG2 MET 39 HG2 MET 39 20.085 14.136 -6.361
308 HG3 MET 39 HG3 MET 39 18.420 14.688 -6.176
309 HE1 MET 39 HE1 MET 39 22.291 16.604 -4.874
310 HE2 MET 39 HE2 MET 39 21.975 15.246 -5.950
311 HE3 MET 39 HE3 MET 39 21.940 15.004 -4.206
312 H GLN 40 H GLN 40 21.177 11.718 -3.527
313 HA GLN 40 HA GLN 40 22.925 10.472 -5.561
314 HB2 GLN 40 HB2 GLN 40 22.936 13.285 -4.937
315 HB3 GLN 40 HB3 GLN 40 24.453 12.575 -4.386
316 HG2 GLN 40 HG2 GLN 40 25.193 12.270 -6.500
317 HG3 GLN 40 HG3 GLN 40 23.656 11.577 -7.018
318 HE21 GLN 40 HE21 GLN 40 22.229 12.932 -8.198
319 HE22 GLN 40 HE22 GLN 40 22.528 14.575 -8.501
Start of MODEL 3
1 HA ALA 1 HA ALA 1 -23.895 5.206 1.118
2 HB1 ALA 1 HB1 ALA 1 -21.875 6.156 3.177
3 HB2 ALA 1 HB2 ALA 1 -22.173 6.956 1.634
4 HB3 ALA 1 HB3 ALA 1 -21.514 5.320 1.667
5 H SER 2 H SER 2 -24.092 3.019 1.453
6 HA SER 2 HA SER 2 -24.348 2.013 4.245
7 HB2 SER 2 HB2 SER 2 -24.860 0.709 1.550
8 HB3 SER 2 HB3 SER 2 -25.339 0.064 3.117
9 HG SER 2 HG SER 2 -27.080 1.151 2.250
10 H ARG 3 H ARG 3 -23.173 0.038 4.870
11 HA ARG 3 HA ARG 3 -20.383 0.051 4.239
12 HB2 ARG 3 HB2 ARG 3 -21.646 -0.887 6.271
13 HB3 ARG 3 HB3 ARG 3 -21.987 -2.303 5.274
14 HG2 ARG 3 HG2 ARG 3 -19.576 -2.655 4.927
15 HG3 ARG 3 HG3 ARG 3 -19.220 -1.227 5.899
16 HD2 ARG 3 HD2 ARG 3 -20.418 -2.327 7.832
17 HD3 ARG 3 HD3 ARG 3 -20.529 -3.799 6.845
18 HE ARG 3 HE ARG 3 -18.088 -3.920 6.833
19 HH11 ARG 3 HH11 ARG 3 -17.316 -1.091 7.071
20 HH12 ARG 3 HH12 ARG 3 -16.823 -0.952 8.726
21 HH21 ARG 3 HH21 ARG 3 -18.387 -3.898 9.709
22 HH22 ARG 3 HH22 ARG 3 -17.434 -2.548 10.225
23 H ALA 4 H ALA 4 -22.972 -2.213 3.197
24 HA ALA 4 HA ALA 4 -21.411 -3.867 1.496
25 HB1 ALA 4 HB1 ALA 4 -24.303 -2.952 1.383
26 HB2 ALA 4 HB2 ALA 4 -23.683 -4.409 2.161
27 HB3 ALA 4 HB3 ALA 4 -23.658 -4.268 0.403
28 H ALA 5 H ALA 5 -23.216 -0.864 0.730
29 HA ALA 5 HA ALA 5 -22.637 -0.731 -2.053
30 HB1 ALA 5 HB1 ALA 5 -23.261 1.610 -1.788
31 HB2 ALA 5 HB2 ALA 5 -22.902 1.546 -0.062
32 HB3 ALA 5 HB3 ALA 5 -24.270 0.642 -0.713
33 H LEU 6 H LEU 6 -20.794 0.476 0.761
34 HA LEU 6 HA LEU 6 -18.727 1.850 -0.654
35 HB2 LEU 6 HB2 LEU 6 -19.385 1.713 1.872
36 HB3 LEU 6 HB3 LEU 6 -18.320 0.307 1.910
37 HG LEU 6 HG LEU 6 -17.219 2.722 0.579
38 HD11 LEU 6 HD11 LEU 6 -18.391 3.708 2.523
39 HD12 LEU 6 HD12 LEU 6 -16.641 3.787 2.723
40 HD13 LEU 6 HD13 LEU 6 -17.573 2.566 3.590
41 HD21 LEU 6 HD21 LEU 6 -16.017 0.986 2.744
42 HD22 LEU 6 HD22 LEU 6 -15.181 1.918 1.503
43 HD23 LEU 6 HD23 LEU 6 -16.072 0.462 1.061
44 H ILE 7 H ILE 7 -19.055 -1.569 0.301
45 HA ILE 7 HA ILE 7 -16.415 -2.377 -0.610
46 HB ILE 7 HB ILE 7 -18.993 -3.899 -0.072
47 HG12 ILE 7 HG12 ILE 7 -16.594 -3.847 1.737
48 HG13 ILE 7 HG13 ILE 7 -17.710 -2.481 1.763
49 HG21 ILE 7 HG21 ILE 7 -17.731 -5.454 -1.263
50 HG22 ILE 7 HG22 ILE 7 -17.162 -5.748 0.380
51 HG23 ILE 7 HG23 ILE 7 -16.194 -4.774 -0.727
52 HD11 ILE 7 HD11 ILE 7 -18.613 -3.911 3.391
53 HD12 ILE 7 HD12 ILE 7 -18.240 -5.361 2.460
54 HD13 ILE 7 HD13 ILE 7 -19.562 -4.309 1.959
55 H GLU 8 H GLU 8 -19.659 -2.279 -2.072
56 HA GLU 8 HA GLU 8 -19.172 -3.789 -4.433
57 HB2 GLU 8 HB2 GLU 8 -21.001 -1.570 -3.569
58 HB3 GLU 8 HB3 GLU 8 -20.987 -2.033 -5.270
59 HG2 GLU 8 HG2 GLU 8 -21.922 -4.088 -4.862
60 HG3 GLU 8 HG3 GLU 8 -21.114 -4.262 -3.305
61 H GLU 9 H GLU 9 -18.762 -0.274 -3.849
62 HA GLU 9 HA GLU 9 -17.616 0.192 -6.508
63 HB2 GLU 9 HB2 GLU 9 -18.164 1.748 -3.994
64 HB3 GLU 9 HB3 GLU 9 -17.094 2.444 -5.213
65 HG2 GLU 9 HG2 GLU 9 -19.714 1.286 -6.097
66 HG3 GLU 9 HG3 GLU 9 -19.707 2.870 -5.323
67 H GLY 10 H GLY 10 -16.407 -0.503 -3.267
68 HA2 GLY 10 HA2 GLY 10 -13.694 0.335 -3.652
69 HA3 GLY 10 HA3 GLY 10 -14.238 -0.834 -2.451
70 H GLN 11 H GLN 11 -15.444 -2.383 -4.909
71 HA GLN 11 HA GLN 11 -13.464 -4.381 -5.163
72 HB2 GLN 11 HB2 GLN 11 -15.835 -4.647 -5.728
73 HB3 GLN 11 HB3 GLN 11 -15.673 -3.496 -7.053
74 HG2 GLN 11 HG2 GLN 11 -15.439 -5.468 -8.236
75 HG3 GLN 11 HG3 GLN 11 -13.751 -5.189 -7.811
76 HE21 GLN 11 HE21 GLN 11 -12.828 -7.134 -7.140
77 HE22 GLN 11 HE22 GLN 11 -13.596 -8.289 -6.162
78 H ARG 12 H ARG 12 -14.132 -1.625 -7.368
79 HA ARG 12 HA ARG 12 -11.809 -2.295 -9.056
80 HB2 ARG 12 HB2 ARG 12 -14.201 -1.231 -9.583
81 HB3 ARG 12 HB3 ARG 12 -13.336 0.270 -9.252
82 HG2 ARG 12 HG2 ARG 12 -13.094 -0.113 -11.598
83 HG3 ARG 12 HG3 ARG 12 -11.547 -0.558 -10.874
84 HD2 ARG 12 HD2 ARG 12 -12.251 -2.947 -10.862
85 HD3 ARG 12 HD3 ARG 12 -13.769 -2.483 -11.656
86 HE ARG 12 HE ARG 12 -12.547 -2.007 -13.653
87 HH11 ARG 12 HH11 ARG 12 -10.904 -4.379 -13.005
88 HH12 ARG 12 HH12 ARG 12 -9.289 -3.756 -13.039
89 HH21 ARG 12 HH21 ARG 12 -10.288 -0.435 -12.809
90 HH22 ARG 12 HH22 ARG 12 -8.939 -1.515 -12.927
91 H ILE 13 H ILE 13 -12.557 -0.095 -6.407
92 HA ILE 13 HA ILE 13 -10.234 1.641 -6.877
93 HB ILE 13 HB ILE 13 -12.145 1.293 -4.538
94 HG12 ILE 13 HG12 ILE 13 -13.292 1.976 -6.595
95 HG13 ILE 13 HG13 ILE 13 -13.212 3.341 -5.482
96 HG21 ILE 13 HG21 ILE 13 -9.930 3.243 -5.110
97 HG22 ILE 13 HG22 ILE 13 -10.353 2.453 -3.592
98 HG23 ILE 13 HG23 ILE 13 -11.346 3.776 -4.202
99 HD11 ILE 13 HD11 ILE 13 -11.496 2.848 -7.927
100 HD12 ILE 13 HD12 ILE 13 -11.097 4.060 -6.710
101 HD13 ILE 13 HD13 ILE 13 -12.593 4.197 -7.633
102 H ALA 14 H ALA 14 -10.895 -1.312 -5.105
103 HA ALA 14 HA ALA 14 -8.868 -1.233 -3.115
104 HB1 ALA 14 HB1 ALA 14 -9.052 -3.825 -3.540
105 HB2 ALA 14 HB2 ALA 14 -10.336 -3.357 -4.656
106 HB3 ALA 14 HB3 ALA 14 -10.459 -2.942 -2.946
107 H GLU 15 H GLU 15 -8.685 -2.559 -6.464
108 HA GLU 15 HA GLU 15 -5.989 -3.455 -6.339
109 HB2 GLU 15 HB2 GLU 15 -6.118 -3.365 -8.797
110 HB3 GLU 15 HB3 GLU 15 -7.625 -3.983 -8.127
111 HG2 GLU 15 HG2 GLU 15 -8.507 -1.590 -8.247
112 HG3 GLU 15 HG3 GLU 15 -7.081 -1.211 -9.213
113 H MET 16 H MET 16 -7.296 -0.208 -6.974
114 HA MET 16 HA MET 16 -4.689 0.938 -7.670
115 HB2 MET 16 HB2 MET 16 -7.518 1.822 -7.300
116 HB3 MET 16 HB3 MET 16 -6.270 3.056 -7.132
117 HG2 MET 16 HG2 MET 16 -5.328 2.294 -9.345
118 HG3 MET 16 HG3 MET 16 -6.741 1.252 -9.521
119 HE1 MET 16 HE1 MET 16 -6.018 5.081 -8.384
120 HE2 MET 16 HE2 MET 16 -6.329 5.732 -9.993
121 HE3 MET 16 HE3 MET 16 -5.108 4.480 -9.777
122 H LEU 17 H LEU 17 -6.839 0.969 -4.807
123 HA LEU 17 HA LEU 17 -5.138 2.639 -3.179
124 HB2 LEU 17 HB2 LEU 17 -7.609 1.100 -2.990
125 HB3 LEU 17 HB3 LEU 17 -6.668 0.989 -1.505
126 HG LEU 17 HG LEU 17 -8.204 2.916 -1.427
127 HD11 LEU 17 HD11 LEU 17 -5.549 4.223 -1.797
128 HD12 LEU 17 HD12 LEU 17 -5.642 2.905 -0.628
129 HD13 LEU 17 HD13 LEU 17 -6.674 4.324 -0.442
130 HD21 LEU 17 HD21 LEU 17 -8.101 4.706 -3.000
131 HD22 LEU 17 HD22 LEU 17 -8.116 3.234 -3.972
132 HD23 LEU 17 HD23 LEU 17 -6.604 4.100 -3.705
133 H LYS 18 H LYS 18 -5.115 -0.777 -3.935
134 HA LYS 18 HA LYS 18 -3.683 -1.819 -1.704
135 HB2 LYS 18 HB2 LYS 18 -4.836 -2.994 -3.681
136 HB3 LYS 18 HB3 LYS 18 -3.360 -2.673 -4.591
137 HG2 LYS 18 HG2 LYS 18 -2.049 -3.865 -2.847
138 HG3 LYS 18 HG3 LYS 18 -3.549 -4.232 -1.995
139 HD2 LYS 18 HD2 LYS 18 -3.158 -6.175 -3.273
140 HD3 LYS 18 HD3 LYS 18 -4.326 -5.274 -4.241
141 HE2 LYS 18 HE2 LYS 18 -2.544 -4.405 -5.672
142 HE3 LYS 18 HE3 LYS 18 -1.313 -5.178 -4.652
143 HZ1 LYS 18 HZ1 LYS 18 -1.963 -6.524 -6.621
144 HZ2 LYS 18 HZ2 LYS 18 -3.531 -6.648 -5.979
145 HZ3 LYS 18 HZ3 LYS 18 -2.211 -7.318 -5.144
146 H SER 19 H SER 19 -2.436 -0.547 -4.826
147 HA SER 19 HA SER 19 0.345 -0.863 -4.254
148 HB2 SER 19 HB2 SER 19 -1.374 0.761 -6.082
149 HB3 SER 19 HB3 SER 19 0.314 1.240 -5.924
150 HG SER 19 HG SER 19 0.632 -0.317 -7.307
151 H LYS 20 H LYS 20 -1.921 1.783 -3.507
152 HA LYS 20 HA LYS 20 0.031 3.663 -2.533
153 HB2 LYS 20 HB2 LYS 20 -2.319 4.148 -3.237
154 HB3 LYS 20 HB3 LYS 20 -2.898 3.286 -1.812
155 HG2 LYS 20 HG2 LYS 20 -0.957 5.147 -0.899
156 HG3 LYS 20 HG3 LYS 20 -2.005 6.017 -2.019
157 HD2 LYS 20 HD2 LYS 20 -3.983 5.346 -0.790
158 HD3 LYS 20 HD3 LYS 20 -3.031 4.285 0.247
159 HE2 LYS 20 HE2 LYS 20 -3.121 6.141 1.634
160 HE3 LYS 20 HE3 LYS 20 -1.702 6.604 0.675
161 HZ1 LYS 20 HZ1 LYS 20 -4.527 7.408 0.250
162 HZ2 LYS 20 HZ2 LYS 20 -3.338 7.590 -0.952
163 HZ3 LYS 20 HZ3 LYS 20 -3.189 8.413 0.527
164 H ILE 21 H ILE 21 -2.200 1.491 -0.731
165 HA ILE 21 HA ILE 21 -1.053 1.992 1.852
166 HB ILE 21 HB ILE 21 -2.640 -0.326 0.698
167 HG12 ILE 21 HG12 ILE 21 -3.546 1.961 2.473
168 HG13 ILE 21 HG13 ILE 21 -3.658 2.008 0.715
169 HG21 ILE 21 HG21 ILE 21 -3.249 -0.538 3.245
170 HG22 ILE 21 HG22 ILE 21 -1.712 0.290 3.495
171 HG23 ILE 21 HG23 ILE 21 -1.751 -1.260 2.655
172 HD11 ILE 21 HD11 ILE 21 -5.788 1.246 1.605
173 HD12 ILE 21 HD12 ILE 21 -4.985 -0.002 2.557
174 HD13 ILE 21 HD13 ILE 21 -5.000 -0.107 0.796
175 H GLN 22 H GLN 22 -0.307 -0.362 -0.678
176 HA GLN 22 HA GLN 22 1.516 -1.975 0.909
177 HB2 GLN 22 HB2 GLN 22 0.258 -2.562 -1.246
178 HB3 GLN 22 HB3 GLN 22 1.466 -1.601 -2.100
179 HG2 GLN 22 HG2 GLN 22 3.257 -3.031 -1.197
180 HG3 GLN 22 HG3 GLN 22 2.060 -3.985 -0.318
181 HE21 GLN 22 HE21 GLN 22 0.757 -5.500 -1.534
182 HE22 GLN 22 HE22 GLN 22 1.053 -5.836 -3.171
183 H GLY 23 H GLY 23 1.945 0.730 -1.398
184 HA2 GLY 23 HA2 GLY 23 4.785 0.779 -1.429
185 HA3 GLY 23 HA3 GLY 23 3.758 2.181 -1.729
186 H LEU 24 H LEU 24 2.466 2.281 0.821
187 HA LEU 24 HA LEU 24 4.348 3.798 2.361
188 HB2 LEU 24 HB2 LEU 24 1.767 3.822 2.293
189 HB3 LEU 24 HB3 LEU 24 1.844 2.446 3.395
190 HG LEU 24 HG LEU 24 3.465 4.871 4.064
191 HD11 LEU 24 HD11 LEU 24 0.497 4.644 4.640
192 HD12 LEU 24 HD12 LEU 24 1.188 5.704 3.411
193 HD13 LEU 24 HD13 LEU 24 1.568 5.963 5.113
194 HD21 LEU 24 HD21 LEU 24 2.070 2.620 5.494
195 HD22 LEU 24 HD22 LEU 24 2.471 4.097 6.370
196 HD23 LEU 24 HD23 LEU 24 3.749 3.142 5.620
197 H LEU 25 H LEU 25 3.090 0.473 2.765
198 HA LEU 25 HA LEU 25 4.659 -0.097 5.147
199 HB2 LEU 25 HB2 LEU 25 2.844 -1.490 3.245
200 HB3 LEU 25 HB3 LEU 25 3.975 -2.520 4.117
201 HG LEU 25 HG LEU 25 1.844 -2.292 5.347
202 HD11 LEU 25 HD11 LEU 25 4.147 -2.439 6.492
203 HD12 LEU 25 HD12 LEU 25 2.796 -1.883 7.479
204 HD13 LEU 25 HD13 LEU 25 3.953 -0.719 6.831
205 HD21 LEU 25 HD21 LEU 25 1.087 -0.165 6.184
206 HD22 LEU 25 HD22 LEU 25 1.381 0.041 4.458
207 HD23 LEU 25 HD23 LEU 25 2.554 0.641 5.630
208 H GLN 26 H GLN 26 5.094 -0.675 1.660
209 HA GLN 26 HA GLN 26 7.349 -2.411 1.758
210 HB2 GLN 26 HB2 GLN 26 5.765 -1.435 -0.160
211 HB3 GLN 26 HB3 GLN 26 7.097 -0.296 -0.348
212 HG2 GLN 26 HG2 GLN 26 7.783 -1.994 -1.778
213 HG3 GLN 26 HG3 GLN 26 8.569 -2.493 -0.279
214 HE21 GLN 26 HE21 GLN 26 7.952 -4.509 0.610
215 HE22 GLN 26 HE22 GLN 26 6.696 -5.470 -0.008
216 H GLN 27 H GLN 27 7.162 1.150 1.869
217 HA GLN 27 HA GLN 27 10.011 1.612 1.718
218 HB2 GLN 27 HB2 GLN 27 7.647 3.088 1.692
219 HB3 GLN 27 HB3 GLN 27 8.426 3.586 3.194
220 HG2 GLN 27 HG2 GLN 27 9.743 4.944 1.970
221 HG3 GLN 27 HG3 GLN 27 10.493 3.502 1.288
222 HE21 GLN 27 HE21 GLN 27 7.708 5.727 0.776
223 HE22 GLN 27 HE22 GLN 27 7.629 5.478 -0.901
224 H ALA 28 H ALA 28 7.764 1.048 4.382
225 HA ALA 28 HA ALA 28 9.771 1.618 6.452
226 HB1 ALA 28 HB1 ALA 28 7.521 2.180 6.958
227 HB2 ALA 28 HB2 ALA 28 7.818 0.707 7.881
228 HB3 ALA 28 HB3 ALA 28 6.919 0.632 6.365
229 H SER 29 H SER 29 8.599 -1.197 4.725
230 HA SER 29 HA SER 29 9.686 -3.114 6.679
231 HB2 SER 29 HB2 SER 29 8.776 -4.751 5.121
232 HB3 SER 29 HB3 SER 29 7.607 -3.450 5.326
233 HG SER 29 HG SER 29 9.180 -4.140 3.131
234 H LYS 30 H LYS 30 10.857 -1.467 3.820
235 HA LYS 30 HA LYS 30 12.768 -3.280 2.797
236 HB2 LYS 30 HB2 LYS 30 12.019 -0.965 1.986
237 HB3 LYS 30 HB3 LYS 30 13.171 -0.299 3.143
238 HG2 LYS 30 HG2 LYS 30 14.984 -1.621 2.064
239 HG3 LYS 30 HG3 LYS 30 13.822 -2.201 0.870
240 HD2 LYS 30 HD2 LYS 30 14.714 -0.383 -0.265
241 HD3 LYS 30 HD3 LYS 30 13.349 0.385 0.545
242 HE2 LYS 30 HE2 LYS 30 14.722 1.398 2.175
243 HE3 LYS 30 HE3 LYS 30 16.057 0.266 1.885
244 HZ1 LYS 30 HZ1 LYS 30 16.389 1.180 -0.287
245 HZ2 LYS 30 HZ2 LYS 30 16.387 2.469 0.821
246 HZ3 LYS 30 HZ3 LYS 30 15.021 2.176 -0.147
247 H GLN 31 H GLN 31 13.031 -1.092 5.610
248 HA GLN 31 HA GLN 31 15.790 -1.312 6.171
249 HB2 GLN 31 HB2 GLN 31 13.630 -0.108 7.283
250 HB3 GLN 31 HB3 GLN 31 13.867 -1.416 8.444
251 HG2 GLN 31 HG2 GLN 31 15.358 0.030 9.388
252 HG3 GLN 31 HG3 GLN 31 16.435 -0.564 8.124
253 HE21 GLN 31 HE21 GLN 31 14.038 2.052 8.759
254 HE22 GLN 31 HE22 GLN 31 14.767 3.175 7.716
255 H ALA 32 H ALA 32 13.153 -3.434 7.388
256 HA ALA 32 HA ALA 32 15.098 -5.320 8.557
257 HB1 ALA 32 HB1 ALA 32 12.076 -5.320 8.255
258 HB2 ALA 32 HB2 ALA 32 12.983 -4.797 9.675
259 HB3 ALA 32 HB3 ALA 32 12.986 -6.497 9.203
260 H GLN 33 H GLN 33 13.250 -4.992 5.597
261 HA GLN 33 HA GLN 33 13.031 -7.642 4.670
262 HB2 GLN 33 HB2 GLN 33 12.052 -5.673 3.598
263 HB3 GLN 33 HB3 GLN 33 13.656 -5.052 3.215
264 HG2 GLN 33 HG2 GLN 33 14.048 -7.161 1.870
265 HG3 GLN 33 HG3 GLN 33 12.342 -7.545 2.105
266 HE21 GLN 33 HE21 GLN 33 14.549 -5.702 0.181
267 HE22 GLN 33 HE22 GLN 33 13.388 -4.823 -0.690
268 H ASP 34 H ASP 34 15.846 -5.446 4.481
269 HA ASP 34 HA ASP 34 17.483 -7.790 3.568
270 HB2 ASP 34 HB2 ASP 34 18.936 -5.698 2.700
271 HB3 ASP 34 HB3 ASP 34 17.638 -6.394 1.739
272 H ILE 35 H ILE 35 17.760 -4.641 5.272
273 HA ILE 35 HA ILE 35 19.313 -3.931 6.909
274 HB ILE 35 HB ILE 35 17.420 -5.259 7.961
275 HG12 ILE 35 HG12 ILE 35 19.095 -5.728 10.085
276 HG13 ILE 35 HG13 ILE 35 20.045 -4.592 9.127
277 HG21 ILE 35 HG21 ILE 35 17.810 -7.505 7.420
278 HG22 ILE 35 HG22 ILE 35 18.322 -7.414 9.104
279 HG23 ILE 35 HG23 ILE 35 19.525 -7.408 7.816
280 HD11 ILE 35 HD11 ILE 35 17.142 -4.139 9.868
281 HD12 ILE 35 HD12 ILE 35 18.244 -2.982 9.120
282 HD13 ILE 35 HD13 ILE 35 18.500 -3.492 10.790
283 H GLN 36 H GLN 36 20.700 -5.260 4.734
284 HA GLN 36 HA GLN 36 23.105 -6.198 6.223
285 HB2 GLN 36 HB2 GLN 36 21.363 -7.719 4.328
286 HB3 GLN 36 HB3 GLN 36 23.104 -7.976 4.205
287 HG2 GLN 36 HG2 GLN 36 23.098 -8.353 6.729
288 HG3 GLN 36 HG3 GLN 36 21.337 -8.405 6.623
289 HE21 GLN 36 HE21 GLN 36 20.904 -10.637 6.889
290 HE22 GLN 36 HE22 GLN 36 21.576 -11.853 5.912
291 HA PRO 37 HA PRO 37 25.239 -3.909 3.125
292 HB2 PRO 37 HB2 PRO 37 27.503 -5.397 2.726
293 HB3 PRO 37 HB3 PRO 37 27.221 -4.439 4.195
294 HG2 PRO 37 HG2 PRO 37 26.912 -7.365 3.755
295 HG3 PRO 37 HG3 PRO 37 27.512 -6.493 5.173
296 HD2 PRO 37 HD2 PRO 37 24.997 -7.545 4.990
297 HD3 PRO 37 HD3 PRO 37 25.414 -6.152 6.013
298 H ALA 38 H ALA 38 24.454 -3.843 1.051
299 HA ALA 38 HA ALA 38 24.272 -6.363 -0.539
300 HB1 ALA 38 HB1 ALA 38 22.813 -4.883 -1.973
301 HB2 ALA 38 HB2 ALA 38 23.092 -3.582 -0.815
302 HB3 ALA 38 HB3 ALA 38 22.249 -5.046 -0.310
303 H MET 39 H MET 39 26.777 -4.524 -0.060
304 HA MET 39 HA MET 39 27.396 -3.401 -2.679
305 HB2 MET 39 HB2 MET 39 28.956 -4.012 -0.154
306 HB3 MET 39 HB3 MET 39 29.696 -3.251 -1.562
307 HG2 MET 39 HG2 MET 39 27.538 -1.664 -1.326
308 HG3 MET 39 HG3 MET 39 27.703 -2.149 0.361
309 HE1 MET 39 HE1 MET 39 29.744 -0.830 -2.767
310 HE2 MET 39 HE2 MET 39 30.163 0.730 -2.066
311 HE3 MET 39 HE3 MET 39 28.472 0.247 -2.177
312 H GLN 40 H GLN 40 28.038 -6.468 -1.015
313 HA GLN 40 HA GLN 40 29.549 -7.437 -3.415
314 HB2 GLN 40 HB2 GLN 40 30.583 -7.391 -1.082
315 HB3 GLN 40 HB3 GLN 40 29.406 -8.625 -0.629
316 HG2 GLN 40 HG2 GLN 40 30.745 -9.296 -3.129
317 HG3 GLN 40 HG3 GLN 40 31.900 -9.073 -1.815
318 HE21 GLN 40 HE21 GLN 40 29.121 -11.019 -2.877
319 HE22 GLN 40 HE22 GLN 40 29.313 -12.236 -1.710
Start of MODEL 4
1 HA ALA 1 HA ALA 1 -28.831 0.092 2.784
2 HB1 ALA 1 HB1 ALA 1 -31.327 -0.973 1.419
3 HB2 ALA 1 HB2 ALA 1 -30.755 -1.462 3.015
4 HB3 ALA 1 HB3 ALA 1 -29.796 -1.835 1.582
5 H SER 2 H SER 2 -27.509 0.040 0.904
6 HA SER 2 HA SER 2 -28.562 1.444 -1.529
7 HB2 SER 2 HB2 SER 2 -27.090 2.755 0.209
8 HB3 SER 2 HB3 SER 2 -25.761 1.833 -0.491
9 HG SER 2 HG SER 2 -26.000 3.737 -1.641
10 H ARG 3 H ARG 3 -27.775 0.607 -3.491
11 HA ARG 3 HA ARG 3 -26.156 -1.904 -3.286
12 HB2 ARG 3 HB2 ARG 3 -28.584 -1.462 -4.383
13 HB3 ARG 3 HB3 ARG 3 -27.572 -1.089 -5.780
14 HG2 ARG 3 HG2 ARG 3 -26.505 -3.261 -5.665
15 HG3 ARG 3 HG3 ARG 3 -27.328 -3.631 -4.149
16 HD2 ARG 3 HD2 ARG 3 -29.518 -3.185 -5.556
17 HD3 ARG 3 HD3 ARG 3 -28.455 -3.541 -6.934
18 HE ARG 3 HE ARG 3 -27.953 -5.724 -5.890
19 HH11 ARG 3 HH11 ARG 3 -31.045 -5.265 -6.116
20 HH12 ARG 3 HH12 ARG 3 -31.557 -5.975 -4.621
21 HH21 ARG 3 HH21 ARG 3 -28.360 -6.040 -3.255
22 HH22 ARG 3 HH22 ARG 3 -30.031 -6.414 -2.995
23 H ALA 4 H ALA 4 -26.534 0.969 -5.414
24 HA ALA 4 HA ALA 4 -24.239 0.595 -7.032
25 HB1 ALA 4 HB1 ALA 4 -25.802 2.989 -6.056
26 HB2 ALA 4 HB2 ALA 4 -25.830 2.237 -7.652
27 HB3 ALA 4 HB3 ALA 4 -24.432 3.187 -7.149
28 H ALA 5 H ALA 5 -24.545 2.407 -3.952
29 HA ALA 5 HA ALA 5 -21.841 3.306 -3.767
30 HB1 ALA 5 HB1 ALA 5 -23.876 4.021 -2.434
31 HB2 ALA 5 HB2 ALA 5 -22.434 3.737 -1.458
32 HB3 ALA 5 HB3 ALA 5 -23.715 2.526 -1.512
33 H LEU 6 H LEU 6 -23.381 0.265 -2.706
34 HA LEU 6 HA LEU 6 -21.228 -0.842 -1.207
35 HB2 LEU 6 HB2 LEU 6 -23.660 -1.613 -1.510
36 HB3 LEU 6 HB3 LEU 6 -23.130 -2.354 -3.021
37 HG LEU 6 HG LEU 6 -21.439 -2.964 -0.667
38 HD11 LEU 6 HD11 LEU 6 -24.242 -4.102 -0.926
39 HD12 LEU 6 HD12 LEU 6 -23.704 -3.000 0.341
40 HD13 LEU 6 HD13 LEU 6 -23.017 -4.622 0.232
41 HD21 LEU 6 HD21 LEU 6 -20.821 -4.312 -2.411
42 HD22 LEU 6 HD22 LEU 6 -22.404 -4.211 -3.181
43 HD23 LEU 6 HD23 LEU 6 -22.149 -5.321 -1.835
44 H ILE 7 H ILE 7 -21.972 -1.106 -4.703
45 HA ILE 7 HA ILE 7 -19.732 -2.772 -5.399
46 HB ILE 7 HB ILE 7 -21.316 -0.725 -6.999
47 HG12 ILE 7 HG12 ILE 7 -21.773 -3.666 -7.212
48 HG13 ILE 7 HG13 ILE 7 -22.363 -2.872 -5.752
49 HG21 ILE 7 HG21 ILE 7 -20.616 -2.091 -8.956
50 HG22 ILE 7 HG22 ILE 7 -19.597 -3.062 -7.893
51 HG23 ILE 7 HG23 ILE 7 -19.238 -1.354 -8.142
52 HD11 ILE 7 HD11 ILE 7 -24.108 -2.869 -7.478
53 HD12 ILE 7 HD12 ILE 7 -23.014 -2.065 -8.603
54 HD13 ILE 7 HD13 ILE 7 -23.569 -1.222 -7.157
55 H GLU 8 H GLU 8 -20.177 0.771 -5.316
56 HA GLU 8 HA GLU 8 -17.642 1.525 -6.414
57 HB2 GLU 8 HB2 GLU 8 -19.841 2.840 -5.827
58 HB3 GLU 8 HB3 GLU 8 -19.079 3.056 -4.251
59 HG2 GLU 8 HG2 GLU 8 -16.998 3.738 -5.822
60 HG3 GLU 8 HG3 GLU 8 -18.321 4.197 -6.894
61 H GLU 9 H GLU 9 -18.648 0.693 -3.104
62 HA GLU 9 HA GLU 9 -16.272 1.504 -1.721
63 HB2 GLU 9 HB2 GLU 9 -18.744 0.450 -1.113
64 HB3 GLU 9 HB3 GLU 9 -17.681 -0.913 -0.764
65 HG2 GLU 9 HG2 GLU 9 -17.139 1.878 0.272
66 HG3 GLU 9 HG3 GLU 9 -18.091 0.699 1.173
67 H GLY 10 H GLY 10 -17.228 -1.708 -3.021
68 HA2 GLY 10 HA2 GLY 10 -14.843 -3.091 -2.318
69 HA3 GLY 10 HA3 GLY 10 -15.917 -3.558 -3.634
70 H GLN 11 H GLN 11 -15.666 -1.227 -5.252
71 HA GLN 11 HA GLN 11 -13.343 -1.803 -6.794
72 HB2 GLN 11 HB2 GLN 11 -15.461 -0.570 -7.456
73 HB3 GLN 11 HB3 GLN 11 -14.835 0.835 -6.594
74 HG2 GLN 11 HG2 GLN 11 -14.132 1.225 -8.803
75 HG3 GLN 11 HG3 GLN 11 -12.707 0.498 -8.062
76 HE21 GLN 11 HE21 GLN 11 -11.908 -1.398 -9.034
77 HE22 GLN 11 HE22 GLN 11 -12.736 -2.287 -10.220
78 H ARG 12 H ARG 12 -13.899 0.628 -4.244
79 HA ARG 12 HA ARG 12 -11.265 1.849 -4.471
80 HB2 ARG 12 HB2 ARG 12 -13.568 2.678 -3.471
81 HB3 ARG 12 HB3 ARG 12 -12.989 1.892 -2.001
82 HG2 ARG 12 HG2 ARG 12 -10.880 3.220 -2.168
83 HG3 ARG 12 HG3 ARG 12 -11.560 4.067 -3.559
84 HD2 ARG 12 HD2 ARG 12 -13.476 4.812 -2.124
85 HD3 ARG 12 HD3 ARG 12 -12.670 4.069 -0.728
86 HE ARG 12 HE ARG 12 -11.490 6.294 -2.351
87 HH11 ARG 12 HH11 ARG 12 -10.015 4.208 -0.430
88 HH12 ARG 12 HH12 ARG 12 -9.705 5.263 0.910
89 HH21 ARG 12 HH21 ARG 12 -11.860 7.751 -0.210
90 HH22 ARG 12 HH22 ARG 12 -10.756 7.273 1.035
91 H ILE 13 H ILE 13 -12.741 -0.639 -2.375
92 HA ILE 13 HA ILE 13 -10.517 -1.008 -0.597
93 HB ILE 13 HB ILE 13 -12.776 -2.799 -1.549
94 HG12 ILE 13 HG12 ILE 13 -13.368 -0.718 -0.280
95 HG13 ILE 13 HG13 ILE 13 -13.819 -2.194 0.569
96 HG21 ILE 13 HG21 ILE 13 -12.186 -3.966 0.733
97 HG22 ILE 13 HG22 ILE 13 -10.589 -3.274 0.455
98 HG23 ILE 13 HG23 ILE 13 -11.283 -4.390 -0.721
99 HD11 ILE 13 HD11 ILE 13 -12.783 -0.746 2.185
100 HD12 ILE 13 HD12 ILE 13 -11.424 -0.421 1.109
101 HD13 ILE 13 HD13 ILE 13 -11.620 -2.021 1.823
102 H ALA 14 H ALA 14 -11.409 -2.598 -3.683
103 HA ALA 14 HA ALA 14 -9.409 -4.594 -3.801
104 HB1 ALA 14 HB1 ALA 14 -10.568 -2.837 -5.992
105 HB2 ALA 14 HB2 ALA 14 -11.284 -4.327 -5.378
106 HB3 ALA 14 HB3 ALA 14 -9.756 -4.380 -6.258
107 H GLU 15 H GLU 15 -9.214 -1.169 -4.813
108 HA GLU 15 HA GLU 15 -6.399 -1.373 -5.608
109 HB2 GLU 15 HB2 GLU 15 -8.629 0.510 -5.711
110 HB3 GLU 15 HB3 GLU 15 -7.128 1.318 -5.264
111 HG2 GLU 15 HG2 GLU 15 -6.503 1.273 -7.424
112 HG3 GLU 15 HG3 GLU 15 -6.464 -0.488 -7.344
113 H MET 16 H MET 16 -8.211 -0.037 -2.823
114 HA MET 16 HA MET 16 -6.036 1.153 -1.420
115 HB2 MET 16 HB2 MET 16 -8.597 1.219 -1.048
116 HB3 MET 16 HB3 MET 16 -8.370 -0.273 -0.133
117 HG2 MET 16 HG2 MET 16 -8.208 1.409 1.513
118 HG3 MET 16 HG3 MET 16 -6.525 1.038 1.138
119 HE1 MET 16 HE1 MET 16 -6.090 2.961 2.388
120 HE2 MET 16 HE2 MET 16 -6.024 4.617 1.789
121 HE3 MET 16 HE3 MET 16 -4.945 3.399 1.111
122 H LEU 17 H LEU 17 -7.184 -2.221 -1.484
123 HA LEU 17 HA LEU 17 -5.512 -3.173 0.668
124 HB2 LEU 17 HB2 LEU 17 -7.605 -4.188 -0.492
125 HB3 LEU 17 HB3 LEU 17 -6.462 -4.797 -1.690
126 HG LEU 17 HG LEU 17 -5.139 -5.719 0.340
127 HD11 LEU 17 HD11 LEU 17 -6.264 -4.578 2.133
128 HD12 LEU 17 HD12 LEU 17 -6.711 -6.280 2.257
129 HD13 LEU 17 HD13 LEU 17 -7.844 -5.118 1.565
130 HD21 LEU 17 HD21 LEU 17 -6.787 -7.699 0.478
131 HD22 LEU 17 HD22 LEU 17 -6.178 -7.277 -1.122
132 HD23 LEU 17 HD23 LEU 17 -7.797 -6.778 -0.635
133 H LYS 18 H LYS 18 -5.042 -2.853 -2.824
134 HA LYS 18 HA LYS 18 -2.550 -4.323 -2.956
135 HB2 LYS 18 HB2 LYS 18 -4.263 -2.630 -4.672
136 HB3 LYS 18 HB3 LYS 18 -2.550 -2.598 -5.091
137 HG2 LYS 18 HG2 LYS 18 -2.958 -5.278 -4.648
138 HG3 LYS 18 HG3 LYS 18 -4.503 -4.791 -5.346
139 HD2 LYS 18 HD2 LYS 18 -3.552 -4.159 -7.368
140 HD3 LYS 18 HD3 LYS 18 -1.978 -3.828 -6.643
141 HE2 LYS 18 HE2 LYS 18 -2.801 -6.647 -6.383
142 HE3 LYS 18 HE3 LYS 18 -2.587 -6.118 -8.063
143 HZ1 LYS 18 HZ1 LYS 18 -0.491 -6.852 -6.963
144 HZ2 LYS 18 HZ2 LYS 18 -0.640 -5.543 -5.889
145 HZ3 LYS 18 HZ3 LYS 18 -0.435 -5.264 -7.554
146 H SER 19 H SER 19 -3.321 -0.829 -2.711
147 HA SER 19 HA SER 19 -0.590 0.088 -2.773
148 HB2 SER 19 HB2 SER 19 -1.679 2.157 -1.783
149 HB3 SER 19 HB3 SER 19 -2.426 1.569 -3.264
150 HG SER 19 HG SER 19 -4.185 1.256 -2.171
151 H LYS 20 H LYS 20 -2.609 -1.212 -0.195
152 HA LYS 20 HA LYS 20 -0.968 -0.215 2.001
153 HB2 LYS 20 HB2 LYS 20 -3.412 -0.853 2.070
154 HB3 LYS 20 HB3 LYS 20 -2.922 -2.537 1.892
155 HG2 LYS 20 HG2 LYS 20 -1.484 -1.096 4.023
156 HG3 LYS 20 HG3 LYS 20 -3.220 -1.237 4.300
157 HD2 LYS 20 HD2 LYS 20 -2.321 -3.754 3.317
158 HD3 LYS 20 HD3 LYS 20 -1.202 -3.260 4.587
159 HE2 LYS 20 HE2 LYS 20 -4.113 -2.872 5.144
160 HE3 LYS 20 HE3 LYS 20 -3.499 -4.536 5.161
161 HZ1 LYS 20 HZ1 LYS 20 -3.230 -3.452 7.328
162 HZ2 LYS 20 HZ2 LYS 20 -2.275 -2.245 6.611
163 HZ3 LYS 20 HZ3 LYS 20 -1.731 -3.854 6.644
164 H ILE 21 H ILE 21 -1.297 -3.369 0.333
165 HA ILE 21 HA ILE 21 0.753 -4.696 1.889
166 HB ILE 21 HB ILE 21 -0.489 -5.248 -0.826
167 HG12 ILE 21 HG12 ILE 21 -2.134 -5.238 0.984
168 HG13 ILE 21 HG13 ILE 21 -1.844 -6.898 0.472
169 HG21 ILE 21 HG21 ILE 21 1.450 -6.570 -0.836
170 HG22 ILE 21 HG22 ILE 21 0.244 -7.661 -0.154
171 HG23 ILE 21 HG23 ILE 21 1.390 -6.841 0.905
172 HD11 ILE 21 HD11 ILE 21 -0.927 -5.512 2.983
173 HD12 ILE 21 HD12 ILE 21 -0.049 -6.914 2.372
174 HD13 ILE 21 HD13 ILE 21 -1.750 -7.062 2.812
175 H GLN 22 H GLN 22 0.761 -2.886 -1.150
176 HA GLN 22 HA GLN 22 3.580 -3.533 -1.723
177 HB2 GLN 22 HB2 GLN 22 1.376 -1.896 -2.971
178 HB3 GLN 22 HB3 GLN 22 3.035 -1.734 -3.548
179 HG2 GLN 22 HG2 GLN 22 3.097 -3.875 -4.408
180 HG3 GLN 22 HG3 GLN 22 1.963 -4.501 -3.212
181 HE21 GLN 22 HE21 GLN 22 1.912 -2.052 -5.889
182 HE22 GLN 22 HE22 GLN 22 0.387 -2.521 -6.470
183 H GLY 23 H GLY 23 1.700 -0.691 -0.642
184 HA2 GLY 23 HA2 GLY 23 3.865 1.164 -0.548
185 HA3 GLY 23 HA3 GLY 23 2.380 1.297 0.395
186 H LEU 24 H LEU 24 2.546 -1.029 1.953
187 HA LEU 24 HA LEU 24 4.228 -0.243 4.115
188 HB2 LEU 24 HB2 LEU 24 2.195 -1.737 4.147
189 HB3 LEU 24 HB3 LEU 24 3.180 -3.012 3.429
190 HG LEU 24 HG LEU 24 4.553 -1.890 5.711
191 HD11 LEU 24 HD11 LEU 24 2.093 -1.400 6.306
192 HD12 LEU 24 HD12 LEU 24 3.026 -2.333 7.476
193 HD13 LEU 24 HD13 LEU 24 1.893 -3.150 6.399
194 HD21 LEU 24 HD21 LEU 24 4.556 -4.248 6.409
195 HD22 LEU 24 HD22 LEU 24 4.925 -4.124 4.690
196 HD23 LEU 24 HD23 LEU 24 3.315 -4.618 5.213
197 H LEU 25 H LEU 25 4.691 -2.878 1.715
198 HA LEU 25 HA LEU 25 7.278 -3.721 2.597
199 HB2 LEU 25 HB2 LEU 25 5.640 -4.849 1.006
200 HB3 LEU 25 HB3 LEU 25 6.176 -3.712 -0.231
201 HG LEU 25 HG LEU 25 8.284 -5.214 1.260
202 HD11 LEU 25 HD11 LEU 25 8.043 -7.174 -0.165
203 HD12 LEU 25 HD12 LEU 25 6.662 -6.447 -0.987
204 HD13 LEU 25 HD13 LEU 25 6.533 -6.915 0.709
205 HD21 LEU 25 HD21 LEU 25 8.826 -5.290 -1.436
206 HD22 LEU 25 HD22 LEU 25 9.366 -4.015 -0.346
207 HD23 LEU 25 HD23 LEU 25 7.899 -3.796 -1.301
208 H GLN 26 H GLN 26 6.286 -1.297 0.164
209 HA GLN 26 HA GLN 26 8.899 -0.569 -0.755
210 HB2 GLN 26 HB2 GLN 26 6.734 -0.019 -1.845
211 HB3 GLN 26 HB3 GLN 26 6.338 1.052 -0.501
212 HG2 GLN 26 HG2 GLN 26 8.589 2.229 -1.061
213 HG3 GLN 26 HG3 GLN 26 8.468 1.388 -2.608
214 HE21 GLN 26 HE21 GLN 26 6.771 2.050 -4.088
215 HE22 GLN 26 HE22 GLN 26 5.838 3.443 -3.820
216 H GLN 27 H GLN 27 6.868 0.720 1.891
217 HA GLN 27 HA GLN 27 8.717 2.794 2.691
218 HB2 GLN 27 HB2 GLN 27 6.225 2.623 3.127
219 HB3 GLN 27 HB3 GLN 27 6.591 1.381 4.324
220 HG2 GLN 27 HG2 GLN 27 6.368 3.571 5.416
221 HG3 GLN 27 HG3 GLN 27 8.030 2.995 5.541
222 HE21 GLN 27 HE21 GLN 27 6.089 4.866 3.116
223 HE22 GLN 27 HE22 GLN 27 7.293 6.032 2.849
224 H ALA 28 H ALA 28 8.325 -0.602 3.551
225 HA ALA 28 HA ALA 28 10.171 -0.477 5.828
226 HB1 ALA 28 HB1 ALA 28 9.798 -2.954 5.769
227 HB2 ALA 28 HB2 ALA 28 8.892 -2.745 4.270
228 HB3 ALA 28 HB3 ALA 28 8.293 -2.037 5.771
229 H SER 29 H SER 29 10.663 -0.430 2.497
230 HA SER 29 HA SER 29 13.043 -2.169 2.437
231 HB2 SER 29 HB2 SER 29 11.624 -2.109 0.498
232 HB3 SER 29 HB3 SER 29 11.604 -0.349 0.485
233 HG SER 29 HG SER 29 13.191 -0.627 -0.880
234 H LYS 30 H LYS 30 12.528 1.286 1.580
235 HA LYS 30 HA LYS 30 15.310 1.997 1.822
236 HB2 LYS 30 HB2 LYS 30 12.686 3.503 1.759
237 HB3 LYS 30 HB3 LYS 30 14.230 4.346 1.875
238 HG2 LYS 30 HG2 LYS 30 13.817 2.265 -0.259
239 HG3 LYS 30 HG3 LYS 30 13.201 3.901 -0.494
240 HD2 LYS 30 HD2 LYS 30 15.977 3.766 0.508
241 HD3 LYS 30 HD3 LYS 30 15.752 3.115 -1.114
242 HE2 LYS 30 HE2 LYS 30 14.430 5.730 -0.500
243 HE3 LYS 30 HE3 LYS 30 16.189 5.729 -0.731
244 HZ1 LYS 30 HZ1 LYS 30 14.400 4.269 -2.583
245 HZ2 LYS 30 HZ2 LYS 30 15.998 4.789 -2.838
246 HZ3 LYS 30 HZ3 LYS 30 14.729 5.918 -2.809
247 H GLN 31 H GLN 31 12.543 2.263 4.075
248 HA GLN 31 HA GLN 31 13.842 3.725 6.150
249 HB2 GLN 31 HB2 GLN 31 11.391 3.169 5.862
250 HB3 GLN 31 HB3 GLN 31 11.759 1.537 6.419
251 HG2 GLN 31 HG2 GLN 31 12.963 3.206 8.316
252 HG3 GLN 31 HG3 GLN 31 11.413 3.976 7.970
253 HE21 GLN 31 HE21 GLN 31 9.462 2.367 7.981
254 HE22 GLN 31 HE22 GLN 31 9.496 1.144 9.158
255 H ALA 32 H ALA 32 13.748 0.211 5.488
256 HA ALA 32 HA ALA 32 15.287 -0.457 7.897
257 HB1 ALA 32 HB1 ALA 32 14.625 -2.090 5.426
258 HB2 ALA 32 HB2 ALA 32 13.556 -1.910 6.816
259 HB3 ALA 32 HB3 ALA 32 15.111 -2.722 6.999
260 H GLN 33 H GLN 33 16.041 0.452 4.605
261 HA GLN 33 HA GLN 33 18.762 -0.712 4.707
262 HB2 GLN 33 HB2 GLN 33 17.152 0.887 2.696
263 HB3 GLN 33 HB3 GLN 33 18.830 0.425 2.412
264 HG2 GLN 33 HG2 GLN 33 16.638 -1.558 3.084
265 HG3 GLN 33 HG3 GLN 33 17.140 -1.177 1.437
266 HE21 GLN 33 HE21 GLN 33 18.071 -2.865 4.385
267 HE22 GLN 33 HE22 GLN 33 19.468 -3.589 3.749
268 H ASP 34 H ASP 34 17.321 2.557 4.348
269 HA ASP 34 HA ASP 34 19.859 3.926 4.770
270 HB2 ASP 34 HB2 ASP 34 16.944 4.785 4.776
271 HB3 ASP 34 HB3 ASP 34 18.294 5.916 4.866
272 H ILE 35 H ILE 35 16.971 3.295 6.789
273 HA ILE 35 HA ILE 35 18.540 4.178 9.192
274 HB ILE 35 HB ILE 35 15.532 4.004 8.772
275 HG12 ILE 35 HG12 ILE 35 16.510 5.710 7.289
276 HG13 ILE 35 HG13 ILE 35 15.623 6.482 8.603
277 HG21 ILE 35 HG21 ILE 35 17.309 4.830 11.029
278 HG22 ILE 35 HG22 ILE 35 15.750 4.007 11.070
279 HG23 ILE 35 HG23 ILE 35 15.822 5.745 10.778
280 HD11 ILE 35 HD11 ILE 35 17.719 6.863 9.825
281 HD12 ILE 35 HD12 ILE 35 17.820 7.567 8.212
282 HD13 ILE 35 HD13 ILE 35 18.625 6.037 8.557
283 H GLN 36 H GLN 36 19.197 1.690 8.461
284 HA GLN 36 HA GLN 36 17.538 -0.500 9.140
285 HB2 GLN 36 HB2 GLN 36 19.694 -1.703 9.366
286 HB3 GLN 36 HB3 GLN 36 19.705 -0.633 7.967
287 HG2 GLN 36 HG2 GLN 36 20.618 0.972 10.074
288 HG3 GLN 36 HG3 GLN 36 21.405 -0.585 10.331
289 HE21 GLN 36 HE21 GLN 36 22.487 -1.538 8.267
290 HE22 GLN 36 HE22 GLN 36 23.215 -0.433 7.203
291 HA PRO 37 HA PRO 37 17.182 -0.099 13.531
292 HB2 PRO 37 HB2 PRO 37 16.337 -2.643 14.093
293 HB3 PRO 37 HB3 PRO 37 15.288 -1.415 13.360
294 HG2 PRO 37 HG2 PRO 37 16.729 -3.681 12.083
295 HG3 PRO 37 HG3 PRO 37 15.121 -3.026 11.738
296 HD2 PRO 37 HD2 PRO 37 17.332 -2.502 10.221
297 HD3 PRO 37 HD3 PRO 37 15.937 -1.408 10.347
298 H ALA 38 H ALA 38 19.406 0.126 14.127
299 HA ALA 38 HA ALA 38 21.082 -2.316 14.367
300 HB1 ALA 38 HB1 ALA 38 21.934 -0.193 13.380
301 HB2 ALA 38 HB2 ALA 38 22.852 -0.665 14.810
302 HB3 ALA 38 HB3 ALA 38 21.646 0.618 14.919
303 H MET 39 H MET 39 19.515 0.138 16.420
304 HA MET 39 HA MET 39 20.571 -1.161 18.880
305 HB2 MET 39 HB2 MET 39 20.316 1.411 18.232
306 HB3 MET 39 HB3 MET 39 18.680 1.167 18.844
307 HG2 MET 39 HG2 MET 39 20.344 -0.087 20.724
308 HG3 MET 39 HG3 MET 39 21.168 1.420 20.321
309 HE1 MET 39 HE1 MET 39 17.420 0.601 22.612
310 HE2 MET 39 HE2 MET 39 18.436 -0.474 21.655
311 HE3 MET 39 HE3 MET 39 17.139 0.426 20.875
312 H GLN 40 H GLN 40 17.415 -0.255 17.439
313 HA GLN 40 HA GLN 40 15.977 -1.953 19.393
314 HB2 GLN 40 HB2 GLN 40 13.993 -0.939 18.326
315 HB3 GLN 40 HB3 GLN 40 15.165 0.302 18.763
316 HG2 GLN 40 HG2 GLN 40 15.730 -0.679 16.102
317 HG3 GLN 40 HG3 GLN 40 14.046 -0.175 16.206
318 HE21 GLN 40 HE21 GLN 40 14.275 1.828 15.047
319 HE22 GLN 40 HE22 GLN 40 15.210 3.120 15.630
Start of MODEL 5
1 HA ALA 1 HA ALA 1 -29.009 3.015 -2.096
2 HB1 ALA 1 HB1 ALA 1 -31.607 1.469 -2.052
3 HB2 ALA 1 HB2 ALA 1 -31.304 2.784 -0.916
4 HB3 ALA 1 HB3 ALA 1 -30.256 1.365 -0.924
5 H SER 2 H SER 2 -27.749 1.517 -3.183
6 HA SER 2 HA SER 2 -28.973 -0.153 -5.325
7 HB2 SER 2 HB2 SER 2 -28.277 1.896 -6.435
8 HB3 SER 2 HB3 SER 2 -26.702 1.834 -5.650
9 HG SER 2 HG SER 2 -26.409 0.955 -7.642
10 H ARG 3 H ARG 3 -28.133 -2.198 -5.203
11 HA ARG 3 HA ARG 3 -26.178 -2.981 -3.259
12 HB2 ARG 3 HB2 ARG 3 -27.598 -4.193 -5.602
13 HB3 ARG 3 HB3 ARG 3 -26.224 -5.070 -4.931
14 HG2 ARG 3 HG2 ARG 3 -27.299 -4.829 -2.652
15 HG3 ARG 3 HG3 ARG 3 -28.731 -4.201 -3.471
16 HD2 ARG 3 HD2 ARG 3 -28.905 -6.295 -4.784
17 HD3 ARG 3 HD3 ARG 3 -27.480 -6.933 -3.941
18 HE ARG 3 HE ARG 3 -28.758 -6.982 -1.880
19 HH11 ARG 3 HH11 ARG 3 -30.658 -8.016 -4.147
20 HH12 ARG 3 HH12 ARG 3 -32.140 -7.271 -3.650
21 HH21 ARG 3 HH21 ARG 3 -30.601 -5.082 -1.431
22 HH22 ARG 3 HH22 ARG 3 -32.108 -5.606 -2.105
23 H ALA 4 H ALA 4 -25.910 -2.639 -6.824
24 HA ALA 4 HA ALA 4 -23.160 -3.354 -7.068
25 HB1 ALA 4 HB1 ALA 4 -24.820 -1.374 -8.669
26 HB2 ALA 4 HB2 ALA 4 -24.813 -3.121 -8.912
27 HB3 ALA 4 HB3 ALA 4 -23.356 -2.181 -9.229
28 H ALA 5 H ALA 5 -24.679 -0.144 -6.572
29 HA ALA 5 HA ALA 5 -22.338 1.463 -6.654
30 HB1 ALA 5 HB1 ALA 5 -24.740 2.200 -6.602
31 HB2 ALA 5 HB2 ALA 5 -23.727 3.068 -5.449
32 HB3 ALA 5 HB3 ALA 5 -24.789 1.777 -4.891
33 H LEU 6 H LEU 6 -23.806 -0.319 -3.925
34 HA LEU 6 HA LEU 6 -22.022 0.611 -1.873
35 HB2 LEU 6 HB2 LEU 6 -24.111 -1.381 -2.287
36 HB3 LEU 6 HB3 LEU 6 -22.822 -2.018 -1.267
37 HG LEU 6 HG LEU 6 -23.060 0.400 -0.133
38 HD11 LEU 6 HD11 LEU 6 -25.383 1.121 -0.076
39 HD12 LEU 6 HD12 LEU 6 -25.865 -0.231 -1.100
40 HD13 LEU 6 HD13 LEU 6 -24.854 1.056 -1.757
41 HD21 LEU 6 HD21 LEU 6 -24.932 -1.934 0.386
42 HD22 LEU 6 HD22 LEU 6 -24.527 -0.664 1.541
43 HD23 LEU 6 HD23 LEU 6 -23.285 -1.792 0.998
44 H ILE 7 H ILE 7 -21.870 -2.165 -4.111
45 HA ILE 7 HA ILE 7 -19.436 -3.297 -3.012
46 HB ILE 7 HB ILE 7 -20.872 -3.519 -5.680
47 HG12 ILE 7 HG12 ILE 7 -22.129 -4.344 -3.719
48 HG13 ILE 7 HG13 ILE 7 -21.637 -5.683 -4.755
49 HG21 ILE 7 HG21 ILE 7 -19.485 -5.763 -5.676
50 HG22 ILE 7 HG22 ILE 7 -18.390 -4.851 -4.636
51 HG23 ILE 7 HG23 ILE 7 -18.745 -4.274 -6.264
52 HD11 ILE 7 HD11 ILE 7 -20.429 -4.826 -2.119
53 HD12 ILE 7 HD12 ILE 7 -19.574 -5.891 -3.235
54 HD13 ILE 7 HD13 ILE 7 -21.117 -6.393 -2.544
55 H GLU 8 H GLU 8 -20.153 -0.996 -5.635
56 HA GLU 8 HA GLU 8 -17.548 -0.794 -6.780
57 HB2 GLU 8 HB2 GLU 8 -19.993 0.939 -6.538
58 HB3 GLU 8 HB3 GLU 8 -18.534 1.610 -7.266
59 HG2 GLU 8 HG2 GLU 8 -18.626 0.196 -9.094
60 HG3 GLU 8 HG3 GLU 8 -19.439 -1.084 -8.194
61 H GLU 9 H GLU 9 -19.061 1.064 -4.117
62 HA GLU 9 HA GLU 9 -16.910 2.867 -3.605
63 HB2 GLU 9 HB2 GLU 9 -19.446 2.237 -2.585
64 HB3 GLU 9 HB3 GLU 9 -18.354 1.968 -1.228
65 HG2 GLU 9 HG2 GLU 9 -18.601 4.219 -0.924
66 HG3 GLU 9 HG3 GLU 9 -17.364 4.316 -2.179
67 H GLY 10 H GLY 10 -17.648 -0.306 -2.085
68 HA2 GLY 10 HA2 GLY 10 -15.282 -0.346 -0.439
69 HA3 GLY 10 HA3 GLY 10 -16.290 -1.743 -0.814
70 H GLN 11 H GLN 11 -16.050 -1.778 -3.626
71 HA GLN 11 HA GLN 11 -13.650 -3.233 -4.045
72 HB2 GLN 11 HB2 GLN 11 -15.802 -3.150 -5.417
73 HB3 GLN 11 HB3 GLN 11 -15.197 -1.651 -6.122
74 HG2 GLN 11 HG2 GLN 11 -13.319 -2.752 -7.101
75 HG3 GLN 11 HG3 GLN 11 -13.579 -4.208 -6.139
76 HE21 GLN 11 HE21 GLN 11 -14.872 -2.337 -8.889
77 HE22 GLN 11 HE22 GLN 11 -15.813 -3.604 -9.518
78 H ARG 12 H ARG 12 -14.383 0.192 -4.825
79 HA ARG 12 HA ARG 12 -11.815 0.827 -5.948
80 HB2 ARG 12 HB2 ARG 12 -14.054 2.073 -6.059
81 HB3 ARG 12 HB3 ARG 12 -13.681 2.683 -4.448
82 HG2 ARG 12 HG2 ARG 12 -11.368 3.316 -5.588
83 HG3 ARG 12 HG3 ARG 12 -12.341 3.281 -7.059
84 HD2 ARG 12 HD2 ARG 12 -12.470 5.540 -6.264
85 HD3 ARG 12 HD3 ARG 12 -14.007 4.794 -5.782
86 HE ARG 12 HE ARG 12 -12.891 4.352 -3.535
87 HH11 ARG 12 HH11 ARG 12 -13.510 7.277 -3.896
88 HH12 ARG 12 HH12 ARG 12 -12.011 8.017 -3.446
89 HH21 ARG 12 HH21 ARG 12 -10.182 5.070 -3.712
90 HH22 ARG 12 HH22 ARG 12 -10.114 6.761 -3.341
91 H ILE 13 H ILE 13 -13.119 1.273 -2.630
92 HA ILE 13 HA ILE 13 -10.733 2.414 -1.499
93 HB ILE 13 HB ILE 13 -13.117 0.901 -0.386
94 HG12 ILE 13 HG12 ILE 13 -12.363 3.817 -0.073
95 HG13 ILE 13 HG13 ILE 13 -13.320 3.239 -1.436
96 HG21 ILE 13 HG21 ILE 13 -11.452 0.530 1.267
97 HG22 ILE 13 HG22 ILE 13 -12.327 1.952 1.832
98 HG23 ILE 13 HG23 ILE 13 -10.759 2.137 1.046
99 HD11 ILE 13 HD11 ILE 13 -14.066 3.484 1.433
100 HD12 ILE 13 HD12 ILE 13 -14.686 2.071 0.578
101 HD13 ILE 13 HD13 ILE 13 -15.059 3.691 -0.009
102 H ALA 14 H ALA 14 -11.903 -0.957 -1.745
103 HA ALA 14 HA ALA 14 -9.856 -2.216 -0.197
104 HB1 ALA 14 HB1 ALA 14 -10.564 -4.221 -1.532
105 HB2 ALA 14 HB2 ALA 14 -11.491 -3.146 -2.579
106 HB3 ALA 14 HB3 ALA 14 -11.927 -3.312 -0.877
107 H GLU 15 H GLU 15 -9.995 -1.449 -3.693
108 HA GLU 15 HA GLU 15 -7.514 -2.704 -4.420
109 HB2 GLU 15 HB2 GLU 15 -9.082 -0.374 -5.578
110 HB3 GLU 15 HB3 GLU 15 -7.740 -1.164 -6.407
111 HG2 GLU 15 HG2 GLU 15 -9.991 -2.854 -5.366
112 HG3 GLU 15 HG3 GLU 15 -10.228 -1.946 -6.859
113 H MET 16 H MET 16 -8.290 0.653 -3.455
114 HA MET 16 HA MET 16 -5.680 1.770 -3.774
115 HB2 MET 16 HB2 MET 16 -8.000 2.839 -3.320
116 HB3 MET 16 HB3 MET 16 -7.660 2.526 -1.617
117 HG2 MET 16 HG2 MET 16 -5.912 4.047 -1.540
118 HG3 MET 16 HG3 MET 16 -5.556 3.883 -3.260
119 HE1 MET 16 HE1 MET 16 -6.177 5.514 -4.956
120 HE2 MET 16 HE2 MET 16 -7.810 6.158 -5.108
121 HE3 MET 16 HE3 MET 16 -7.560 4.414 -5.044
122 H LEU 17 H LEU 17 -7.174 0.019 -1.050
123 HA LEU 17 HA LEU 17 -5.025 0.462 0.830
124 HB2 LEU 17 HB2 LEU 17 -7.523 -0.354 1.075
125 HB3 LEU 17 HB3 LEU 17 -6.815 -1.952 0.842
126 HG LEU 17 HG LEU 17 -5.125 -1.244 2.680
127 HD11 LEU 17 HD11 LEU 17 -5.964 0.440 4.249
128 HD12 LEU 17 HD12 LEU 17 -7.385 0.703 3.239
129 HD13 LEU 17 HD13 LEU 17 -5.787 1.158 2.648
130 HD21 LEU 17 HD21 LEU 17 -6.689 -1.974 4.445
131 HD22 LEU 17 HD22 LEU 17 -6.896 -2.944 2.986
132 HD23 LEU 17 HD23 LEU 17 -8.052 -1.669 3.369
133 H LYS 18 H LYS 18 -5.762 -2.165 -1.453
134 HA LYS 18 HA LYS 18 -3.719 -4.000 -0.728
135 HB2 LYS 18 HB2 LYS 18 -5.270 -3.315 -3.207
136 HB3 LYS 18 HB3 LYS 18 -3.940 -4.467 -3.335
137 HG2 LYS 18 HG2 LYS 18 -5.281 -5.314 -1.059
138 HG3 LYS 18 HG3 LYS 18 -6.590 -4.810 -2.128
139 HD2 LYS 18 HD2 LYS 18 -6.140 -6.445 -3.679
140 HD3 LYS 18 HD3 LYS 18 -4.406 -6.425 -3.353
141 HE2 LYS 18 HE2 LYS 18 -4.751 -7.643 -1.248
142 HE3 LYS 18 HE3 LYS 18 -6.508 -7.613 -1.501
143 HZ1 LYS 18 HZ1 LYS 18 -4.686 -8.663 -3.582
144 HZ2 LYS 18 HZ2 LYS 18 -6.347 -8.956 -3.377
145 HZ3 LYS 18 HZ3 LYS 18 -5.222 -9.661 -2.319
146 H SER 19 H SER 19 -3.615 -1.362 -3.159
147 HA SER 19 HA SER 19 -0.872 -1.726 -3.921
148 HB2 SER 19 HB2 SER 19 -3.060 -0.077 -4.559
149 HB3 SER 19 HB3 SER 19 -1.801 1.030 -4.017
150 HG SER 19 HG SER 19 -0.617 0.510 -5.701
151 H LYS 20 H LYS 20 -2.400 0.216 -1.352
152 HA LYS 20 HA LYS 20 -0.075 1.678 -0.527
153 HB2 LYS 20 HB2 LYS 20 -2.680 1.764 0.051
154 HB3 LYS 20 HB3 LYS 20 -2.166 0.781 1.421
155 HG2 LYS 20 HG2 LYS 20 -0.255 2.813 1.293
156 HG3 LYS 20 HG3 LYS 20 -1.779 3.633 0.948
157 HD2 LYS 20 HD2 LYS 20 -1.627 1.679 3.227
158 HD3 LYS 20 HD3 LYS 20 -1.021 3.321 3.443
159 HE2 LYS 20 HE2 LYS 20 -3.240 4.196 2.652
160 HE3 LYS 20 HE3 LYS 20 -3.837 2.526 2.620
161 HZ1 LYS 20 HZ1 LYS 20 -3.090 2.319 4.960
162 HZ2 LYS 20 HZ2 LYS 20 -4.334 3.458 4.757
163 HZ3 LYS 20 HZ3 LYS 20 -2.729 3.977 4.969
164 H ILE 21 H ILE 21 -1.335 -1.520 0.422
165 HA ILE 21 HA ILE 21 0.528 -2.007 2.566
166 HB ILE 21 HB ILE 21 -1.055 -3.820 0.713
167 HG12 ILE 21 HG12 ILE 21 -1.654 -3.315 3.613
168 HG13 ILE 21 HG13 ILE 21 -2.116 -2.099 2.422
169 HG21 ILE 21 HG21 ILE 21 0.417 -4.465 3.287
170 HG22 ILE 21 HG22 ILE 21 0.787 -5.097 1.683
171 HG23 ILE 21 HG23 ILE 21 -0.718 -5.550 2.485
172 HD11 ILE 21 HD11 ILE 21 -2.906 -5.027 2.354
173 HD12 ILE 21 HD12 ILE 21 -3.355 -3.819 1.150
174 HD13 ILE 21 HD13 ILE 21 -3.961 -3.685 2.800
175 H GLN 22 H GLN 22 0.638 -2.626 -0.922
176 HA GLN 22 HA GLN 22 3.083 -4.170 -0.917
177 HB2 GLN 22 HB2 GLN 22 1.266 -2.829 -2.842
178 HB3 GLN 22 HB3 GLN 22 2.926 -3.033 -3.399
179 HG2 GLN 22 HG2 GLN 22 1.523 -5.350 -2.102
180 HG3 GLN 22 HG3 GLN 22 1.171 -4.961 -3.786
181 HE21 GLN 22 HE21 GLN 22 3.489 -6.453 -1.677
182 HE22 GLN 22 HE22 GLN 22 4.671 -6.769 -2.854
183 H GLY 23 H GLY 23 2.387 -0.691 -1.387
184 HA2 GLY 23 HA2 GLY 23 5.076 0.108 -1.968
185 HA3 GLY 23 HA3 GLY 23 3.813 1.174 -1.353
186 H LEU 24 H LEU 24 3.311 -0.288 1.094
187 HA LEU 24 HA LEU 24 5.305 0.877 2.814
188 HB2 LEU 24 HB2 LEU 24 2.811 -0.633 2.977
189 HB3 LEU 24 HB3 LEU 24 3.945 -1.120 4.237
190 HG LEU 24 HG LEU 24 4.281 1.343 4.744
191 HD11 LEU 24 HD11 LEU 24 3.382 2.120 2.529
192 HD12 LEU 24 HD12 LEU 24 2.630 2.917 3.912
193 HD13 LEU 24 HD13 LEU 24 1.774 1.631 3.063
194 HD21 LEU 24 HD21 LEU 24 1.821 1.508 5.706
195 HD22 LEU 24 HD22 LEU 24 2.934 0.289 6.325
196 HD23 LEU 24 HD23 LEU 24 1.710 -0.158 5.136
197 H LEU 25 H LEU 25 4.732 -2.494 1.747
198 HA LEU 25 HA LEU 25 6.776 -3.755 3.289
199 HB2 LEU 25 HB2 LEU 25 5.028 -4.309 1.015
200 HB3 LEU 25 HB3 LEU 25 6.596 -5.094 0.828
201 HG LEU 25 HG LEU 25 6.185 -5.717 3.389
202 HD11 LEU 25 HD11 LEU 25 4.003 -4.400 3.340
203 HD12 LEU 25 HD12 LEU 25 3.874 -6.057 3.925
204 HD13 LEU 25 HD13 LEU 25 3.367 -5.661 2.285
205 HD21 LEU 25 HD21 LEU 25 6.549 -7.401 1.708
206 HD22 LEU 25 HD22 LEU 25 4.989 -7.070 0.954
207 HD23 LEU 25 HD23 LEU 25 5.056 -7.834 2.542
208 H GLN 26 H GLN 26 6.895 -2.162 0.104
209 HA GLN 26 HA GLN 26 9.676 -2.821 -0.436
210 HB2 GLN 26 HB2 GLN 26 7.582 -2.048 -1.916
211 HB3 GLN 26 HB3 GLN 26 8.280 -0.455 -1.629
212 HG2 GLN 26 HG2 GLN 26 9.961 -2.767 -2.609
213 HG3 GLN 26 HG3 GLN 26 9.083 -1.721 -3.724
214 HE21 GLN 26 HE21 GLN 26 9.450 0.807 -2.992
215 HE22 GLN 26 HE22 GLN 26 11.083 1.203 -2.744
216 H GLN 27 H GLN 27 7.990 0.075 0.814
217 HA GLN 27 HA GLN 27 10.401 1.670 1.061
218 HB2 GLN 27 HB2 GLN 27 7.558 1.828 2.056
219 HB3 GLN 27 HB3 GLN 27 8.750 3.053 2.492
220 HG2 GLN 27 HG2 GLN 27 9.233 3.082 -0.100
221 HG3 GLN 27 HG3 GLN 27 7.609 2.400 -0.206
222 HE21 GLN 27 HE21 GLN 27 5.857 3.836 0.039
223 HE22 GLN 27 HE22 GLN 27 6.022 5.466 0.485
224 H ALA 28 H ALA 28 8.554 -0.375 3.297
225 HA ALA 28 HA ALA 28 9.861 0.362 5.724
226 HB1 ALA 28 HB1 ALA 28 8.634 -2.249 4.788
227 HB2 ALA 28 HB2 ALA 28 7.800 -0.943 5.631
228 HB3 ALA 28 HB3 ALA 28 9.033 -1.886 6.467
229 H SER 29 H SER 29 10.681 -2.116 3.301
230 HA SER 29 HA SER 29 12.939 -3.223 4.715
231 HB2 SER 29 HB2 SER 29 11.563 -4.121 2.715
232 HB3 SER 29 HB3 SER 29 12.584 -3.091 1.714
233 HG SER 29 HG SER 29 13.811 -4.830 1.791
234 H LYS 30 H LYS 30 12.631 -0.610 2.299
235 HA LYS 30 HA LYS 30 15.483 -0.121 2.068
236 HB2 LYS 30 HB2 LYS 30 12.918 1.282 1.334
237 HB3 LYS 30 HB3 LYS 30 14.460 2.112 1.132
238 HG2 LYS 30 HG2 LYS 30 13.912 -0.645 0.004
239 HG3 LYS 30 HG3 LYS 30 13.651 0.837 -0.913
240 HD2 LYS 30 HD2 LYS 30 15.825 0.724 -1.512
241 HD3 LYS 30 HD3 LYS 30 16.214 1.144 0.157
242 HE2 LYS 30 HE2 LYS 30 15.938 -1.418 0.623
243 HE3 LYS 30 HE3 LYS 30 16.147 -1.585 -1.130
244 HZ1 LYS 30 HZ1 LYS 30 17.969 0.224 0.273
245 HZ2 LYS 30 HZ2 LYS 30 18.261 -0.791 -1.059
246 HZ3 LYS 30 HZ3 LYS 30 18.207 -1.438 0.514
247 H GLN 31 H GLN 31 12.840 1.498 3.872
248 HA GLN 31 HA GLN 31 14.491 3.478 5.148
249 HB2 GLN 31 HB2 GLN 31 11.806 2.200 5.651
250 HB3 GLN 31 HB3 GLN 31 12.464 3.366 6.799
251 HG2 GLN 31 HG2 GLN 31 12.444 5.116 5.233
252 HG3 GLN 31 HG3 GLN 31 12.384 4.012 3.860
253 HE21 GLN 31 HE21 GLN 31 10.402 4.857 2.961
254 HE22 GLN 31 HE22 GLN 31 8.910 4.702 3.754
255 H ALA 32 H ALA 32 13.658 0.126 5.978
256 HA ALA 32 HA ALA 32 14.619 0.099 8.677
257 HB1 ALA 32 HB1 ALA 32 14.846 -2.393 8.142
258 HB2 ALA 32 HB2 ALA 32 14.375 -1.987 6.492
259 HB3 ALA 32 HB3 ALA 32 13.259 -1.693 7.825
260 H GLN 33 H GLN 33 16.265 -0.324 5.552
261 HA GLN 33 HA GLN 33 18.828 -1.112 6.682
262 HB2 GLN 33 HB2 GLN 33 17.598 -0.475 4.070
263 HB3 GLN 33 HB3 GLN 33 19.310 -0.072 4.171
264 HG2 GLN 33 HG2 GLN 33 19.942 -2.251 4.225
265 HG3 GLN 33 HG3 GLN 33 18.644 -2.694 5.333
266 HE21 GLN 33 HE21 GLN 33 17.466 -4.335 4.306
267 HE22 GLN 33 HE22 GLN 33 16.932 -4.275 2.696
268 H ASP 34 H ASP 34 17.629 1.949 5.219
269 HA ASP 34 HA ASP 34 19.493 3.450 7.004
270 HB2 ASP 34 HB2 ASP 34 19.297 3.464 3.988
271 HB3 ASP 34 HB3 ASP 34 19.931 4.864 4.855
272 H ILE 35 H ILE 35 17.954 5.149 4.408
273 HA ILE 35 HA ILE 35 15.498 5.744 5.952
274 HB ILE 35 HB ILE 35 16.141 8.249 5.773
275 HG12 ILE 35 HG12 ILE 35 18.957 7.155 5.752
276 HG13 ILE 35 HG13 ILE 35 18.147 7.612 4.252
277 HG21 ILE 35 HG21 ILE 35 17.934 6.726 7.650
278 HG22 ILE 35 HG22 ILE 35 16.182 6.664 7.844
279 HG23 ILE 35 HG23 ILE 35 17.026 8.209 7.941
280 HD11 ILE 35 HD11 ILE 35 19.255 9.591 4.868
281 HD12 ILE 35 HD12 ILE 35 18.915 9.357 6.584
282 HD13 ILE 35 HD13 ILE 35 17.623 9.846 5.487
283 H GLN 36 H GLN 36 16.723 5.040 3.005
284 HA GLN 36 HA GLN 36 14.560 6.535 1.609
285 HB2 GLN 36 HB2 GLN 36 17.534 6.651 1.059
286 HB3 GLN 36 HB3 GLN 36 16.345 7.088 -0.168
287 HG2 GLN 36 HG2 GLN 36 15.338 8.607 1.709
288 HG3 GLN 36 HG3 GLN 36 16.924 8.432 2.461
289 HE21 GLN 36 HE21 GLN 36 15.321 9.544 -0.551
290 HE22 GLN 36 HE22 GLN 36 16.580 10.584 -1.016
291 HA PRO 37 HA PRO 37 14.365 2.786 -0.689
292 HB2 PRO 37 HB2 PRO 37 13.090 3.652 -2.950
293 HB3 PRO 37 HB3 PRO 37 12.290 3.514 -1.374
294 HG2 PRO 37 HG2 PRO 37 13.149 5.914 -2.830
295 HG3 PRO 37 HG3 PRO 37 11.909 5.729 -1.586
296 HD2 PRO 37 HD2 PRO 37 14.539 6.758 -1.269
297 HD3 PRO 37 HD3 PRO 37 13.332 6.460 -0.001
298 H ALA 38 H ALA 38 14.605 4.686 -3.652
299 HA ALA 38 HA ALA 38 17.270 3.418 -4.190
300 HB1 ALA 38 HB1 ALA 38 16.539 3.440 -6.531
301 HB2 ALA 38 HB2 ALA 38 15.084 4.334 -6.088
302 HB3 ALA 38 HB3 ALA 38 15.303 2.673 -5.533
303 H MET 39 H MET 39 16.480 6.222 -3.007
304 HA MET 39 HA MET 39 17.553 8.046 -5.080
305 HB2 MET 39 HB2 MET 39 16.393 8.318 -2.300
306 HB3 MET 39 HB3 MET 39 17.107 9.695 -3.140
307 HG2 MET 39 HG2 MET 39 15.162 8.082 -4.703
308 HG3 MET 39 HG3 MET 39 14.495 9.027 -3.372
309 HE1 MET 39 HE1 MET 39 14.278 12.443 -4.480
310 HE2 MET 39 HE2 MET 39 14.374 11.331 -3.117
311 HE3 MET 39 HE3 MET 39 13.218 11.029 -4.412
312 H GLN 40 H GLN 40 18.463 6.850 -1.831
313 HA GLN 40 HA GLN 40 21.228 7.926 -2.293
314 HB2 GLN 40 HB2 GLN 40 19.317 8.124 -0.135
315 HB3 GLN 40 HB3 GLN 40 20.779 7.324 0.443
316 HG2 GLN 40 HG2 GLN 40 21.568 9.505 -1.234
317 HG3 GLN 40 HG3 GLN 40 20.384 10.106 -0.073
318 HE21 GLN 40 HE21 GLN 40 21.676 11.096 1.526
319 HE22 GLN 40 HE22 GLN 40 22.954 10.321 2.332
Start of MODEL 6
1 HA ALA 1 HA ALA 1 -32.666 -1.202 -2.303
2 HB1 ALA 1 HB1 ALA 1 -31.844 -3.315 -1.339
3 HB2 ALA 1 HB2 ALA 1 -32.803 -4.231 -2.503
4 HB3 ALA 1 HB3 ALA 1 -33.606 -3.261 -1.267
5 H SER 2 H SER 2 -30.578 -0.772 -2.993
6 HA SER 2 HA SER 2 -29.545 -2.291 -5.369
7 HB2 SER 2 HB2 SER 2 -29.387 0.679 -4.749
8 HB3 SER 2 HB3 SER 2 -28.660 -0.103 -6.150
9 HG SER 2 HG SER 2 -31.072 0.846 -5.979
10 H ARG 3 H ARG 3 -27.871 -3.484 -4.489
11 HA ARG 3 HA ARG 3 -26.067 -2.165 -2.497
12 HB2 ARG 3 HB2 ARG 3 -25.481 -4.473 -1.888
13 HB3 ARG 3 HB3 ARG 3 -27.232 -4.268 -1.872
14 HG2 ARG 3 HG2 ARG 3 -26.543 -5.025 -4.517
15 HG3 ARG 3 HG3 ARG 3 -25.645 -6.096 -3.442
16 HD2 ARG 3 HD2 ARG 3 -28.502 -5.595 -2.733
17 HD3 ARG 3 HD3 ARG 3 -28.190 -6.618 -4.149
18 HE ARG 3 HE ARG 3 -26.599 -7.226 -1.729
19 HH11 ARG 3 HH11 ARG 3 -29.386 -7.903 -1.047
20 HH12 ARG 3 HH12 ARG 3 -29.558 -9.515 -1.656
21 HH21 ARG 3 HH21 ARG 3 -26.759 -9.316 -3.709
22 HH22 ARG 3 HH22 ARG 3 -28.064 -10.318 -3.171
23 H ALA 4 H ALA 4 -26.158 -3.267 -5.789
24 HA ALA 4 HA ALA 4 -23.476 -4.058 -6.260
25 HB1 ALA 4 HB1 ALA 4 -25.255 -4.306 -7.893
26 HB2 ALA 4 HB2 ALA 4 -24.014 -3.270 -8.597
27 HB3 ALA 4 HB3 ALA 4 -25.496 -2.561 -7.958
28 H ALA 5 H ALA 5 -24.909 -0.773 -6.526
29 HA ALA 5 HA ALA 5 -22.529 0.627 -7.222
30 HB1 ALA 5 HB1 ALA 5 -24.889 1.553 -5.549
31 HB2 ALA 5 HB2 ALA 5 -24.887 1.462 -7.310
32 HB3 ALA 5 HB3 ALA 5 -23.807 2.585 -6.484
33 H LEU 6 H LEU 6 -23.854 -0.244 -4.026
34 HA LEU 6 HA LEU 6 -22.004 1.234 -2.409
35 HB2 LEU 6 HB2 LEU 6 -24.165 0.174 -1.702
36 HB3 LEU 6 HB3 LEU 6 -23.402 -1.408 -1.858
37 HG LEU 6 HG LEU 6 -21.772 0.401 -0.259
38 HD11 LEU 6 HD11 LEU 6 -23.915 1.407 0.357
39 HD12 LEU 6 HD12 LEU 6 -23.309 0.442 1.703
40 HD13 LEU 6 HD13 LEU 6 -24.598 -0.186 0.677
41 HD21 LEU 6 HD21 LEU 6 -23.119 -2.279 0.208
42 HD22 LEU 6 HD22 LEU 6 -21.996 -1.533 1.346
43 HD23 LEU 6 HD23 LEU 6 -21.441 -2.001 -0.261
44 H ILE 7 H ILE 7 -21.876 -2.076 -3.750
45 HA ILE 7 HA ILE 7 -19.378 -2.805 -2.470
46 HB ILE 7 HB ILE 7 -20.922 -3.837 -4.872
47 HG12 ILE 7 HG12 ILE 7 -22.095 -4.075 -2.733
48 HG13 ILE 7 HG13 ILE 7 -21.539 -5.655 -3.279
49 HG21 ILE 7 HG21 ILE 7 -18.377 -4.792 -3.583
50 HG22 ILE 7 HG22 ILE 7 -18.781 -4.681 -5.297
51 HG23 ILE 7 HG23 ILE 7 -19.488 -5.957 -4.306
52 HD11 ILE 7 HD11 ILE 7 -19.404 -5.065 -1.837
53 HD12 ILE 7 HD12 ILE 7 -20.856 -5.691 -1.054
54 HD13 ILE 7 HD13 ILE 7 -20.514 -3.961 -1.024
55 H GLU 8 H GLU 8 -20.232 -1.491 -5.677
56 HA GLU 8 HA GLU 8 -17.688 -1.613 -6.933
57 HB2 GLU 8 HB2 GLU 8 -20.036 0.294 -7.096
58 HB3 GLU 8 HB3 GLU 8 -18.667 0.391 -8.201
59 HG2 GLU 8 HG2 GLU 8 -20.100 -2.226 -7.786
60 HG3 GLU 8 HG3 GLU 8 -20.746 -1.027 -8.905
61 H GLU 9 H GLU 9 -19.109 0.977 -4.919
62 HA GLU 9 HA GLU 9 -16.956 2.839 -5.054
63 HB2 GLU 9 HB2 GLU 9 -19.323 3.113 -4.155
64 HB3 GLU 9 HB3 GLU 9 -18.783 2.282 -2.696
65 HG2 GLU 9 HG2 GLU 9 -16.827 4.225 -3.119
66 HG3 GLU 9 HG3 GLU 9 -18.337 5.047 -3.516
67 H GLY 10 H GLY 10 -17.602 0.239 -2.662
68 HA2 GLY 10 HA2 GLY 10 -15.172 0.703 -1.161
69 HA3 GLY 10 HA3 GLY 10 -16.190 -0.732 -1.048
70 H GLN 11 H GLN 11 -16.030 -1.377 -3.899
71 HA GLN 11 HA GLN 11 -13.765 -3.093 -3.949
72 HB2 GLN 11 HB2 GLN 11 -15.963 -2.990 -5.355
73 HB3 GLN 11 HB3 GLN 11 -15.054 -1.911 -6.412
74 HG2 GLN 11 HG2 GLN 11 -14.590 -3.968 -7.390
75 HG3 GLN 11 HG3 GLN 11 -13.230 -3.820 -6.277
76 HE21 GLN 11 HE21 GLN 11 -13.107 -5.314 -4.514
77 HE22 GLN 11 HE22 GLN 11 -14.240 -6.555 -4.273
78 H ARG 12 H ARG 12 -14.213 0.140 -5.431
79 HA ARG 12 HA ARG 12 -11.634 0.321 -6.675
80 HB2 ARG 12 HB2 ARG 12 -13.787 2.207 -5.755
81 HB3 ARG 12 HB3 ARG 12 -12.250 2.871 -6.312
82 HG2 ARG 12 HG2 ARG 12 -12.540 1.379 -8.384
83 HG3 ARG 12 HG3 ARG 12 -14.209 1.164 -7.854
84 HD2 ARG 12 HD2 ARG 12 -14.492 3.653 -7.847
85 HD3 ARG 12 HD3 ARG 12 -12.854 3.804 -8.514
86 HE ARG 12 HE ARG 12 -15.183 2.604 -9.918
87 HH11 ARG 12 HH11 ARG 12 -13.321 4.882 -10.860
88 HH12 ARG 12 HH12 ARG 12 -12.409 4.059 -12.081
89 HH21 ARG 12 HH21 ARG 12 -13.372 0.887 -11.035
90 HH22 ARG 12 HH22 ARG 12 -12.438 1.789 -12.181
91 H ILE 13 H ILE 13 -12.804 1.459 -3.485
92 HA ILE 13 HA ILE 13 -10.280 2.569 -2.621
93 HB ILE 13 HB ILE 13 -12.718 1.533 -1.127
94 HG12 ILE 13 HG12 ILE 13 -11.995 4.422 -1.586
95 HG13 ILE 13 HG13 ILE 13 -12.828 3.515 -2.848
96 HG21 ILE 13 HG21 ILE 13 -10.227 2.947 -0.227
97 HG22 ILE 13 HG22 ILE 13 -11.131 1.662 0.573
98 HG23 ILE 13 HG23 ILE 13 -11.755 3.311 0.576
99 HD11 ILE 13 HD11 ILE 13 -14.639 4.358 -1.661
100 HD12 ILE 13 HD12 ILE 13 -13.795 4.281 -0.115
101 HD13 ILE 13 HD13 ILE 13 -14.417 2.806 -0.855
102 H ALA 14 H ALA 14 -11.853 -0.604 -2.135
103 HA ALA 14 HA ALA 14 -10.011 -1.783 -0.335
104 HB1 ALA 14 HB1 ALA 14 -11.680 -2.904 -2.607
105 HB2 ALA 14 HB2 ALA 14 -12.135 -2.791 -0.906
106 HB3 ALA 14 HB3 ALA 14 -10.871 -3.914 -1.409
107 H GLU 15 H GLU 15 -9.834 -1.483 -3.890
108 HA GLU 15 HA GLU 15 -7.452 -3.139 -4.157
109 HB2 GLU 15 HB2 GLU 15 -9.380 -1.837 -5.799
110 HB3 GLU 15 HB3 GLU 15 -7.800 -1.225 -6.286
111 HG2 GLU 15 HG2 GLU 15 -8.428 -4.172 -5.963
112 HG3 GLU 15 HG3 GLU 15 -8.511 -3.317 -7.503
113 H MET 16 H MET 16 -8.047 0.392 -4.126
114 HA MET 16 HA MET 16 -5.340 1.239 -4.476
115 HB2 MET 16 HB2 MET 16 -7.658 2.484 -4.477
116 HB3 MET 16 HB3 MET 16 -7.341 2.692 -2.755
117 HG2 MET 16 HG2 MET 16 -4.920 3.370 -3.941
118 HG3 MET 16 HG3 MET 16 -6.119 4.045 -5.043
119 HE1 MET 16 HE1 MET 16 -4.191 6.165 -3.398
120 HE2 MET 16 HE2 MET 16 -5.552 7.284 -3.410
121 HE3 MET 16 HE3 MET 16 -5.313 6.185 -4.767
122 H LEU 17 H LEU 17 -7.226 0.582 -1.502
123 HA LEU 17 HA LEU 17 -5.153 1.261 0.371
124 HB2 LEU 17 HB2 LEU 17 -7.829 0.340 0.360
125 HB3 LEU 17 HB3 LEU 17 -6.914 -0.852 1.282
126 HG LEU 17 HG LEU 17 -6.533 2.093 1.790
127 HD11 LEU 17 HD11 LEU 17 -8.321 2.141 3.341
128 HD12 LEU 17 HD12 LEU 17 -8.505 0.388 3.312
129 HD13 LEU 17 HD13 LEU 17 -9.005 1.350 1.920
130 HD21 LEU 17 HD21 LEU 17 -6.331 -0.338 3.597
131 HD22 LEU 17 HD22 LEU 17 -5.799 1.302 3.969
132 HD23 LEU 17 HD23 LEU 17 -4.964 0.364 2.731
133 H LYS 18 H LYS 18 -5.982 -1.742 -1.311
134 HA LYS 18 HA LYS 18 -4.286 -3.558 0.089
135 HB2 LYS 18 HB2 LYS 18 -6.113 -4.007 -1.617
136 HB3 LYS 18 HB3 LYS 18 -4.968 -3.528 -2.868
137 HG2 LYS 18 HG2 LYS 18 -3.415 -5.307 -1.639
138 HG3 LYS 18 HG3 LYS 18 -4.970 -5.966 -1.131
139 HD2 LYS 18 HD2 LYS 18 -4.601 -5.236 -4.015
140 HD3 LYS 18 HD3 LYS 18 -3.865 -6.723 -3.423
141 HE2 LYS 18 HE2 LYS 18 -5.971 -7.524 -4.040
142 HE3 LYS 18 HE3 LYS 18 -6.294 -7.080 -2.354
143 HZ1 LYS 18 HZ1 LYS 18 -7.834 -6.131 -4.155
144 HZ2 LYS 18 HZ2 LYS 18 -6.546 -5.087 -4.531
145 HZ3 LYS 18 HZ3 LYS 18 -7.242 -5.064 -2.978
146 H SER 19 H SER 19 -3.640 -1.539 -2.798
147 HA SER 19 HA SER 19 -0.903 -2.398 -3.154
148 HB2 SER 19 HB2 SER 19 -2.516 -1.274 -4.796
149 HB3 SER 19 HB3 SER 19 -2.163 0.237 -3.963
150 HG SER 19 HG SER 19 -0.075 0.110 -4.613
151 H LYS 20 H LYS 20 -2.421 0.293 -1.376
152 HA LYS 20 HA LYS 20 -0.023 1.725 -0.715
153 HB2 LYS 20 HB2 LYS 20 -2.828 1.499 0.332
154 HB3 LYS 20 HB3 LYS 20 -1.643 2.404 1.274
155 HG2 LYS 20 HG2 LYS 20 -2.019 2.912 -1.679
156 HG3 LYS 20 HG3 LYS 20 -3.024 3.717 -0.475
157 HD2 LYS 20 HD2 LYS 20 -0.071 3.755 -0.037
158 HD3 LYS 20 HD3 LYS 20 -0.714 4.781 -1.318
159 HE2 LYS 20 HE2 LYS 20 -2.093 6.001 0.199
160 HE3 LYS 20 HE3 LYS 20 -1.885 4.789 1.479
161 HZ1 LYS 20 HZ1 LYS 20 0.517 5.268 1.440
162 HZ2 LYS 20 HZ2 LYS 20 -0.398 6.630 1.879
163 HZ3 LYS 20 HZ3 LYS 20 0.247 6.507 0.313
164 H ILE 21 H ILE 21 -1.802 -0.842 1.039
165 HA ILE 21 HA ILE 21 -0.159 -0.888 3.383
166 HB ILE 21 HB ILE 21 -1.902 -2.915 1.962
167 HG12 ILE 21 HG12 ILE 21 -3.008 -0.927 2.956
168 HG13 ILE 21 HG13 ILE 21 -3.463 -2.406 3.797
169 HG21 ILE 21 HG21 ILE 21 -1.815 -4.009 4.357
170 HG22 ILE 21 HG22 ILE 21 -0.255 -3.193 4.461
171 HG23 ILE 21 HG23 ILE 21 -0.550 -4.373 3.183
172 HD11 ILE 21 HD11 ILE 21 -1.532 -1.863 5.422
173 HD12 ILE 21 HD12 ILE 21 -2.981 -0.864 5.533
174 HD13 ILE 21 HD13 ILE 21 -1.550 -0.252 4.705
175 H GLN 22 H GLN 22 0.172 -2.467 0.241
176 HA GLN 22 HA GLN 22 2.405 -4.174 1.015
177 HB2 GLN 22 HB2 GLN 22 0.637 -4.341 -0.915
178 HB3 GLN 22 HB3 GLN 22 1.740 -3.276 -1.787
179 HG2 GLN 22 HG2 GLN 22 2.610 -5.321 -2.420
180 HG3 GLN 22 HG3 GLN 22 3.544 -5.056 -0.948
181 HE21 GLN 22 HE21 GLN 22 2.965 -6.317 0.966
182 HE22 GLN 22 HE22 GLN 22 1.942 -7.667 0.859
183 H GLY 23 H GLY 23 2.053 -0.934 -0.383
184 HA2 GLY 23 HA2 GLY 23 4.749 -0.570 -1.261
185 HA3 GLY 23 HA3 GLY 23 3.631 0.732 -0.853
186 H LEU 24 H LEU 24 3.184 0.506 1.796
187 HA LEU 24 HA LEU 24 5.599 1.476 3.003
188 HB2 LEU 24 HB2 LEU 24 4.249 1.432 5.068
189 HB3 LEU 24 HB3 LEU 24 3.304 2.055 3.720
190 HG LEU 24 HG LEU 24 2.702 -0.572 3.502
191 HD11 LEU 24 HD11 LEU 24 2.693 -1.723 5.518
192 HD12 LEU 24 HD12 LEU 24 2.674 -0.245 6.480
193 HD13 LEU 24 HD13 LEU 24 4.167 -0.776 5.708
194 HD21 LEU 24 HD21 LEU 24 1.456 1.583 5.217
195 HD22 LEU 24 HD22 LEU 24 0.682 0.014 4.990
196 HD23 LEU 24 HD23 LEU 24 0.977 1.062 3.602
197 H LEU 25 H LEU 25 4.240 -1.778 2.780
198 HA LEU 25 HA LEU 25 5.719 -3.031 4.892
199 HB2 LEU 25 HB2 LEU 25 4.261 -3.806 2.412
200 HB3 LEU 25 HB3 LEU 25 5.389 -4.998 3.054
201 HG LEU 25 HG LEU 25 3.305 -3.633 4.773
202 HD11 LEU 25 HD11 LEU 25 3.121 -6.367 3.473
203 HD12 LEU 25 HD12 LEU 25 2.269 -4.938 2.888
204 HD13 LEU 25 HD13 LEU 25 1.902 -5.591 4.483
205 HD21 LEU 25 HD21 LEU 25 5.003 -6.132 5.085
206 HD22 LEU 25 HD22 LEU 25 3.742 -5.635 6.213
207 HD23 LEU 25 HD23 LEU 25 5.173 -4.630 5.993
208 H GLN 26 H GLN 26 6.490 -2.552 1.429
209 HA GLN 26 HA GLN 26 9.137 -3.812 1.726
210 HB2 GLN 26 HB2 GLN 26 7.583 -3.931 -0.291
211 HB3 GLN 26 HB3 GLN 26 7.984 -2.241 -0.597
212 HG2 GLN 26 HG2 GLN 26 10.405 -3.744 -0.130
213 HG3 GLN 26 HG3 GLN 26 9.457 -4.523 -1.396
214 HE21 GLN 26 HE21 GLN 26 9.717 -3.642 -3.462
215 HE22 GLN 26 HE22 GLN 26 10.300 -2.080 -3.783
216 H GLN 27 H GLN 27 7.842 -0.517 1.176
217 HA GLN 27 HA GLN 27 10.307 0.856 0.880
218 HB2 GLN 27 HB2 GLN 27 7.773 1.543 0.649
219 HB3 GLN 27 HB3 GLN 27 7.964 2.049 2.328
220 HG2 GLN 27 HG2 GLN 27 10.004 3.367 1.594
221 HG3 GLN 27 HG3 GLN 27 9.541 3.012 -0.071
222 HE21 GLN 27 HE21 GLN 27 8.744 4.947 2.755
223 HE22 GLN 27 HE22 GLN 27 7.500 5.840 2.024
224 H ALA 28 H ALA 28 8.483 0.103 3.849
225 HA ALA 28 HA ALA 28 10.126 1.531 5.694
226 HB1 ALA 28 HB1 ALA 28 7.932 0.668 6.266
227 HB2 ALA 28 HB2 ALA 28 9.112 -0.100 7.328
228 HB3 ALA 28 HB3 ALA 28 8.458 -0.985 5.951
229 H SER 29 H SER 29 10.439 -1.750 4.382
230 HA SER 29 HA SER 29 12.786 -2.358 6.064
231 HB2 SER 29 HB2 SER 29 10.818 -3.860 5.037
232 HB3 SER 29 HB3 SER 29 11.961 -4.001 3.703
233 HG SER 29 HG SER 29 12.160 -4.869 6.361
234 H LYS 30 H LYS 30 12.123 -1.518 2.655
235 HA LYS 30 HA LYS 30 14.803 -1.973 1.697
236 HB2 LYS 30 HB2 LYS 30 12.327 -0.556 0.798
237 HB3 LYS 30 HB3 LYS 30 13.832 -0.188 -0.043
238 HG2 LYS 30 HG2 LYS 30 12.759 -2.991 0.394
239 HG3 LYS 30 HG3 LYS 30 12.565 -2.071 -1.097
240 HD2 LYS 30 HD2 LYS 30 14.558 -2.881 -1.763
241 HD3 LYS 30 HD3 LYS 30 15.304 -1.905 -0.499
242 HE2 LYS 30 HE2 LYS 30 15.436 -3.705 1.001
243 HE3 LYS 30 HE3 LYS 30 14.131 -4.597 0.192
244 HZ1 LYS 30 HZ1 LYS 30 16.833 -4.030 -0.919
245 HZ2 LYS 30 HZ2 LYS 30 15.568 -4.779 -1.775
246 HZ3 LYS 30 HZ3 LYS 30 16.250 -5.544 -0.422
247 H GLN 31 H GLN 31 13.307 0.739 3.397
248 HA GLN 31 HA GLN 31 14.872 2.939 2.767
249 HB2 GLN 31 HB2 GLN 31 13.028 2.593 4.531
250 HB3 GLN 31 HB3 GLN 31 14.320 2.078 5.615
251 HG2 GLN 31 HG2 GLN 31 15.487 4.294 4.935
252 HG3 GLN 31 HG3 GLN 31 13.896 4.782 4.351
253 HE21 GLN 31 HE21 GLN 31 15.788 4.104 7.251
254 HE22 GLN 31 HE22 GLN 31 14.612 4.624 8.359
255 H ALA 32 H ALA 32 15.817 0.304 5.005
256 HA ALA 32 HA ALA 32 18.555 1.430 5.232
257 HB1 ALA 32 HB1 ALA 32 18.743 -0.128 7.058
258 HB2 ALA 32 HB2 ALA 32 17.348 -1.047 6.491
259 HB3 ALA 32 HB3 ALA 32 17.127 0.572 7.154
260 H GLN 33 H GLN 33 16.867 -1.236 3.639
261 HA GLN 33 HA GLN 33 19.497 -2.435 2.859
262 HB2 GLN 33 HB2 GLN 33 16.815 -3.405 3.558
263 HB3 GLN 33 HB3 GLN 33 17.487 -4.187 2.128
264 HG2 GLN 33 HG2 GLN 33 18.377 -5.530 3.803
265 HG3 GLN 33 HG3 GLN 33 19.667 -4.341 3.620
266 HE21 GLN 33 HE21 GLN 33 19.887 -2.684 5.309
267 HE22 GLN 33 HE22 GLN 33 19.118 -2.861 6.811
268 H ASP 34 H ASP 34 18.360 -0.035 1.454
269 HA ASP 34 HA ASP 34 17.993 -1.292 -1.249
270 HB2 ASP 34 HB2 ASP 34 15.948 -0.241 -0.224
271 HB3 ASP 34 HB3 ASP 34 16.796 1.302 -0.212
272 H ILE 35 H ILE 35 18.213 2.181 -0.887
273 HA ILE 35 HA ILE 35 21.104 2.365 -1.154
274 HB ILE 35 HB ILE 35 20.504 1.431 -3.351
275 HG12 ILE 35 HG12 ILE 35 20.966 4.277 -4.081
276 HG13 ILE 35 HG13 ILE 35 22.106 3.575 -2.934
277 HG21 ILE 35 HG21 ILE 35 19.096 3.651 -4.500
278 HG22 ILE 35 HG22 ILE 35 18.224 3.115 -3.065
279 HG23 ILE 35 HG23 ILE 35 18.573 1.973 -4.362
280 HD11 ILE 35 HD11 ILE 35 22.834 3.279 -5.301
281 HD12 ILE 35 HD12 ILE 35 21.373 2.341 -5.605
282 HD13 ILE 35 HD13 ILE 35 22.587 1.741 -4.474
283 H GLN 36 H GLN 36 20.314 3.828 0.654
284 HA GLN 36 HA GLN 36 18.930 6.303 -0.175
285 HB2 GLN 36 HB2 GLN 36 19.191 4.759 2.155
286 HB3 GLN 36 HB3 GLN 36 20.072 6.247 2.505
287 HG2 GLN 36 HG2 GLN 36 18.036 7.123 2.990
288 HG3 GLN 36 HG3 GLN 36 17.811 7.196 1.243
289 HE21 GLN 36 HE21 GLN 36 17.295 4.598 0.489
290 HE22 GLN 36 HE22 GLN 36 15.949 3.981 1.318
291 HA PRO 37 HA PRO 37 22.869 8.230 -1.014
292 HB2 PRO 37 HB2 PRO 37 21.876 10.708 -1.612
293 HB3 PRO 37 HB3 PRO 37 21.818 9.340 -2.741
294 HG2 PRO 37 HG2 PRO 37 19.677 10.453 -1.002
295 HG3 PRO 37 HG3 PRO 37 19.576 9.804 -2.646
296 HD2 PRO 37 HD2 PRO 37 18.826 8.417 -0.412
297 HD3 PRO 37 HD3 PRO 37 19.368 7.649 -1.919
298 H ALA 38 H ALA 38 20.692 8.957 1.548
299 HA ALA 38 HA ALA 38 21.787 11.313 2.698
300 HB1 ALA 38 HB1 ALA 38 19.716 10.337 3.461
301 HB2 ALA 38 HB2 ALA 38 20.843 10.275 4.816
302 HB3 ALA 38 HB3 ALA 38 20.520 8.821 3.872
303 H MET 39 H MET 39 22.954 7.965 2.773
304 HA MET 39 HA MET 39 24.966 8.495 4.850
305 HB2 MET 39 HB2 MET 39 24.269 6.198 3.004
306 HB3 MET 39 HB3 MET 39 25.659 6.132 4.088
307 HG2 MET 39 HG2 MET 39 24.134 6.620 6.008
308 HG3 MET 39 HG3 MET 39 22.765 6.539 4.898
309 HE1 MET 39 HE1 MET 39 23.464 4.927 7.578
310 HE2 MET 39 HE2 MET 39 22.913 3.290 7.232
311 HE3 MET 39 HE3 MET 39 21.906 4.664 6.782
312 H GLN 40 H GLN 40 24.991 7.917 1.306
313 HA GLN 40 HA GLN 40 27.489 9.498 1.089
314 HB2 GLN 40 HB2 GLN 40 28.643 7.635 -0.066
315 HB3 GLN 40 HB3 GLN 40 28.201 7.186 1.579
316 HG2 GLN 40 HG2 GLN 40 25.964 6.406 0.211
317 HG3 GLN 40 HG3 GLN 40 27.214 6.118 -0.998
318 HE21 GLN 40 HE21 GLN 40 26.802 5.588 2.563
319 HE22 GLN 40 HE22 GLN 40 27.487 4.038 2.551
Start of MODEL 7
1 HA ALA 1 HA ALA 1 -27.470 6.845 -0.759
2 HB1 ALA 1 HB1 ALA 1 -26.688 7.096 1.571
3 HB2 ALA 1 HB2 ALA 1 -25.881 5.735 0.794
4 HB3 ALA 1 HB3 ALA 1 -27.202 5.447 1.926
5 H SER 2 H SER 2 -27.021 5.205 -2.219
6 HA SER 2 HA SER 2 -28.757 2.864 -2.319
7 HB2 SER 2 HB2 SER 2 -27.835 4.210 -4.258
8 HB3 SER 2 HB3 SER 2 -26.257 3.509 -3.913
9 HG SER 2 HG SER 2 -27.176 2.182 -5.398
10 H ARG 3 H ARG 3 -28.205 0.714 -1.851
11 HA ARG 3 HA ARG 3 -25.887 0.275 -0.087
12 HB2 ARG 3 HB2 ARG 3 -28.428 -1.020 -0.821
13 HB3 ARG 3 HB3 ARG 3 -27.111 -2.163 -0.563
14 HG2 ARG 3 HG2 ARG 3 -28.126 -1.844 1.578
15 HG3 ARG 3 HG3 ARG 3 -26.626 -0.918 1.611
16 HD2 ARG 3 HD2 ARG 3 -29.014 0.556 0.621
17 HD3 ARG 3 HD3 ARG 3 -29.012 0.147 2.347
18 HE ARG 3 HE ARG 3 -26.809 1.661 0.988
19 HH11 ARG 3 HH11 ARG 3 -25.864 0.448 3.474
20 HH12 ARG 3 HH12 ARG 3 -26.263 1.626 4.678
21 HH21 ARG 3 HH21 ARG 3 -28.531 3.308 2.648
22 HH22 ARG 3 HH22 ARG 3 -27.782 3.254 4.208
23 H ALA 4 H ALA 4 -26.957 -0.768 -3.328
24 HA ALA 4 HA ALA 4 -24.851 -2.605 -3.899
25 HB1 ALA 4 HB1 ALA 4 -25.612 -2.356 -6.163
26 HB2 ALA 4 HB2 ALA 4 -26.203 -0.723 -5.853
27 HB3 ALA 4 HB3 ALA 4 -27.034 -2.112 -5.149
28 H ALA 5 H ALA 5 -25.026 0.934 -4.144
29 HA ALA 5 HA ALA 5 -22.731 1.518 -5.670
30 HB1 ALA 5 HB1 ALA 5 -24.089 2.841 -3.314
31 HB2 ALA 5 HB2 ALA 5 -24.216 3.261 -5.022
32 HB3 ALA 5 HB3 ALA 5 -22.728 3.602 -4.138
33 H LEU 6 H LEU 6 -22.958 0.624 -2.224
34 HA LEU 6 HA LEU 6 -20.264 1.193 -1.456
35 HB2 LEU 6 HB2 LEU 6 -22.377 -0.778 -0.554
36 HB3 LEU 6 HB3 LEU 6 -20.822 -0.649 0.266
37 HG LEU 6 HG LEU 6 -22.323 1.883 -0.241
38 HD11 LEU 6 HD11 LEU 6 -23.751 1.584 1.679
39 HD12 LEU 6 HD12 LEU 6 -22.998 0.037 2.065
40 HD13 LEU 6 HD13 LEU 6 -24.001 0.195 0.623
41 HD21 LEU 6 HD21 LEU 6 -21.003 2.667 1.463
42 HD22 LEU 6 HD22 LEU 6 -19.998 1.288 1.022
43 HD23 LEU 6 HD23 LEU 6 -21.115 1.165 2.380
44 H ILE 7 H ILE 7 -21.732 -1.692 -2.955
45 HA ILE 7 HA ILE 7 -19.362 -3.351 -2.824
46 HB ILE 7 HB ILE 7 -21.824 -3.386 -4.608
47 HG12 ILE 7 HG12 ILE 7 -21.586 -5.421 -2.523
48 HG13 ILE 7 HG13 ILE 7 -21.585 -3.790 -1.851
49 HG21 ILE 7 HG21 ILE 7 -20.348 -4.812 -5.724
50 HG22 ILE 7 HG22 ILE 7 -21.148 -5.924 -4.614
51 HG23 ILE 7 HG23 ILE 7 -19.540 -5.307 -4.237
52 HD11 ILE 7 HD11 ILE 7 -23.771 -3.493 -2.329
53 HD12 ILE 7 HD12 ILE 7 -23.835 -5.228 -2.638
54 HD13 ILE 7 HD13 ILE 7 -23.570 -4.104 -3.971
55 H GLU 8 H GLU 8 -20.841 -1.448 -5.486
56 HA GLU 8 HA GLU 8 -18.816 -1.967 -7.442
57 HB2 GLU 8 HB2 GLU 8 -20.921 0.132 -6.957
58 HB3 GLU 8 HB3 GLU 8 -19.809 0.305 -8.315
59 HG2 GLU 8 HG2 GLU 8 -20.912 -1.258 -9.506
60 HG3 GLU 8 HG3 GLU 8 -20.828 -2.407 -8.172
61 H GLU 9 H GLU 9 -19.250 0.876 -5.284
62 HA GLU 9 HA GLU 9 -16.792 2.177 -6.057
63 HB2 GLU 9 HB2 GLU 9 -18.958 2.996 -4.818
64 HB3 GLU 9 HB3 GLU 9 -18.119 2.456 -3.364
65 HG2 GLU 9 HG2 GLU 9 -16.285 3.953 -3.761
66 HG3 GLU 9 HG3 GLU 9 -16.865 4.330 -5.384
67 H GLY 10 H GLY 10 -17.631 -0.108 -3.453
68 HA2 GLY 10 HA2 GLY 10 -15.226 0.009 -1.960
69 HA3 GLY 10 HA3 GLY 10 -16.278 -1.403 -2.047
70 H GLN 11 H GLN 11 -16.009 -1.799 -4.925
71 HA GLN 11 HA GLN 11 -13.791 -3.546 -5.069
72 HB2 GLN 11 HB2 GLN 11 -15.820 -3.347 -6.588
73 HB3 GLN 11 HB3 GLN 11 -15.021 -1.974 -7.357
74 HG2 GLN 11 HG2 GLN 11 -13.072 -3.441 -7.879
75 HG3 GLN 11 HG3 GLN 11 -13.954 -4.810 -7.199
76 HE21 GLN 11 HE21 GLN 11 -16.063 -5.387 -8.311
77 HE22 GLN 11 HE22 GLN 11 -16.237 -5.034 -9.962
78 H ARG 12 H ARG 12 -14.032 -0.135 -6.133
79 HA ARG 12 HA ARG 12 -11.240 -0.006 -6.998
80 HB2 ARG 12 HB2 ARG 12 -13.534 1.917 -6.608
81 HB3 ARG 12 HB3 ARG 12 -11.920 2.518 -6.990
82 HG2 ARG 12 HG2 ARG 12 -12.058 0.629 -8.871
83 HG3 ARG 12 HG3 ARG 12 -13.788 0.900 -8.672
84 HD2 ARG 12 HD2 ARG 12 -13.155 2.451 -10.363
85 HD3 ARG 12 HD3 ARG 12 -13.191 3.435 -8.886
86 HE ARG 12 HE ARG 12 -10.836 3.614 -9.022
87 HH11 ARG 12 HH11 ARG 12 -11.165 3.031 -11.996
88 HH12 ARG 12 HH12 ARG 12 -10.004 1.765 -12.223
89 HH21 ARG 12 HH21 ARG 12 -9.688 1.089 -8.829
90 HH22 ARG 12 HH22 ARG 12 -9.165 0.662 -10.424
91 H ILE 13 H ILE 13 -13.075 0.945 -4.089
92 HA ILE 13 HA ILE 13 -10.985 2.397 -2.759
93 HB ILE 13 HB ILE 13 -13.363 0.769 -1.797
94 HG12 ILE 13 HG12 ILE 13 -13.835 2.781 -3.199
95 HG13 ILE 13 HG13 ILE 13 -14.434 2.955 -1.551
96 HG21 ILE 13 HG21 ILE 13 -13.064 2.213 0.311
97 HG22 ILE 13 HG22 ILE 13 -11.427 2.518 -0.269
98 HG23 ILE 13 HG23 ILE 13 -11.938 0.872 0.102
99 HD11 ILE 13 HD11 ILE 13 -11.879 4.134 -2.685
100 HD12 ILE 13 HD12 ILE 13 -12.330 4.201 -0.980
101 HD13 ILE 13 HD13 ILE 13 -13.321 5.018 -2.187
102 H ALA 14 H ALA 14 -11.922 -1.055 -2.667
103 HA ALA 14 HA ALA 14 -9.969 -1.935 -0.767
104 HB1 ALA 14 HB1 ALA 14 -10.500 -4.150 -1.732
105 HB2 ALA 14 HB2 ALA 14 -11.246 -3.366 -3.124
106 HB3 ALA 14 HB3 ALA 14 -11.968 -3.195 -1.523
107 H GLU 15 H GLU 15 -9.850 -1.681 -4.338
108 HA GLU 15 HA GLU 15 -7.291 -2.874 -4.757
109 HB2 GLU 15 HB2 GLU 15 -9.148 -2.149 -6.399
110 HB3 GLU 15 HB3 GLU 15 -8.441 -0.536 -6.301
111 HG2 GLU 15 HG2 GLU 15 -6.349 -1.298 -7.183
112 HG3 GLU 15 HG3 GLU 15 -6.811 -2.991 -6.997
113 H MET 16 H MET 16 -8.203 0.511 -4.050
114 HA MET 16 HA MET 16 -5.593 1.674 -4.273
115 HB2 MET 16 HB2 MET 16 -8.179 2.317 -2.868
116 HB3 MET 16 HB3 MET 16 -6.761 3.329 -2.589
117 HG2 MET 16 HG2 MET 16 -6.583 3.372 -5.195
118 HG3 MET 16 HG3 MET 16 -8.272 2.862 -5.150
119 HE1 MET 16 HE1 MET 16 -6.961 5.631 -6.370
120 HE2 MET 16 HE2 MET 16 -8.348 6.666 -6.040
121 HE3 MET 16 HE3 MET 16 -8.603 5.015 -6.598
122 H LEU 17 H LEU 17 -7.325 0.272 -1.472
123 HA LEU 17 HA LEU 17 -5.311 0.825 0.497
124 HB2 LEU 17 HB2 LEU 17 -7.774 -0.754 0.183
125 HB3 LEU 17 HB3 LEU 17 -6.625 -1.473 1.311
126 HG LEU 17 HG LEU 17 -6.442 0.995 2.232
127 HD11 LEU 17 HD11 LEU 17 -8.473 2.283 1.995
128 HD12 LEU 17 HD12 LEU 17 -9.252 0.983 1.095
129 HD13 LEU 17 HD13 LEU 17 -7.912 1.873 0.374
130 HD21 LEU 17 HD21 LEU 17 -7.295 -0.969 3.485
131 HD22 LEU 17 HD22 LEU 17 -8.878 -0.746 2.740
132 HD23 LEU 17 HD23 LEU 17 -8.240 0.478 3.836
133 H LYS 18 H LYS 18 -5.824 -1.924 -1.685
134 HA LYS 18 HA LYS 18 -3.823 -3.678 -0.620
135 HB2 LYS 18 HB2 LYS 18 -5.746 -3.982 -2.382
136 HB3 LYS 18 HB3 LYS 18 -4.521 -3.475 -3.546
137 HG2 LYS 18 HG2 LYS 18 -3.540 -5.495 -1.656
138 HG3 LYS 18 HG3 LYS 18 -4.889 -6.065 -2.639
139 HD2 LYS 18 HD2 LYS 18 -3.731 -5.762 -4.647
140 HD3 LYS 18 HD3 LYS 18 -2.621 -4.585 -3.944
141 HE2 LYS 18 HE2 LYS 18 -1.154 -6.211 -3.340
142 HE3 LYS 18 HE3 LYS 18 -2.442 -7.187 -2.607
143 HZ1 LYS 18 HZ1 LYS 18 -1.459 -8.257 -4.582
144 HZ2 LYS 18 HZ2 LYS 18 -1.960 -6.941 -5.533
145 HZ3 LYS 18 HZ3 LYS 18 -3.114 -7.938 -4.780
146 H SER 19 H SER 19 -3.656 -1.100 -3.088
147 HA SER 19 HA SER 19 -0.918 -1.544 -3.873
148 HB2 SER 19 HB2 SER 19 -2.836 -0.158 -4.948
149 HB3 SER 19 HB3 SER 19 -2.365 1.114 -3.825
150 HG SER 19 HG SER 19 -0.290 1.062 -4.724
151 H LYS 20 H LYS 20 -2.438 0.513 -1.388
152 HA LYS 20 HA LYS 20 -0.068 1.870 -0.502
153 HB2 LYS 20 HB2 LYS 20 -2.778 1.202 0.639
154 HB3 LYS 20 HB3 LYS 20 -1.575 2.018 1.639
155 HG2 LYS 20 HG2 LYS 20 -1.664 3.960 0.409
156 HG3 LYS 20 HG3 LYS 20 -2.017 3.113 -1.097
157 HD2 LYS 20 HD2 LYS 20 -4.047 4.200 -0.596
158 HD3 LYS 20 HD3 LYS 20 -4.304 2.559 -0.003
159 HE2 LYS 20 HE2 LYS 20 -3.801 3.244 2.284
160 HE3 LYS 20 HE3 LYS 20 -3.364 4.873 1.732
161 HZ1 LYS 20 HZ1 LYS 20 -6.014 3.609 1.256
162 HZ2 LYS 20 HZ2 LYS 20 -5.571 5.214 0.913
163 HZ3 LYS 20 HZ3 LYS 20 -5.698 4.691 2.525
164 H ILE 21 H ILE 21 -1.621 -1.174 0.566
165 HA ILE 21 HA ILE 21 0.155 -1.693 2.761
166 HB ILE 21 HB ILE 21 -2.151 -2.758 1.693
167 HG12 ILE 21 HG12 ILE 21 -1.497 -2.795 4.058
168 HG13 ILE 21 HG13 ILE 21 -2.000 -4.403 3.539
169 HG21 ILE 21 HG21 ILE 21 -0.820 -4.066 0.039
170 HG22 ILE 21 HG22 ILE 21 -1.729 -5.096 1.142
171 HG23 ILE 21 HG23 ILE 21 0.004 -4.869 1.374
172 HD11 ILE 21 HD11 ILE 21 0.002 -4.754 4.777
173 HD12 ILE 21 HD12 ILE 21 0.810 -3.390 4.004
174 HD13 ILE 21 HD13 ILE 21 0.488 -4.860 3.085
175 H GLN 22 H GLN 22 0.387 -2.351 -0.694
176 HA GLN 22 HA GLN 22 2.620 -4.170 -0.621
177 HB2 GLN 22 HB2 GLN 22 0.942 -3.528 -2.503
178 HB3 GLN 22 HB3 GLN 22 2.029 -2.172 -2.810
179 HG2 GLN 22 HG2 GLN 22 3.747 -4.355 -2.595
180 HG3 GLN 22 HG3 GLN 22 2.361 -4.997 -3.477
181 HE21 GLN 22 HE21 GLN 22 4.938 -2.550 -3.591
182 HE22 GLN 22 HE22 GLN 22 4.744 -2.182 -5.237
183 H GLY 23 H GLY 23 2.383 -0.615 -0.842
184 HA2 GLY 23 HA2 GLY 23 5.205 -0.135 -1.157
185 HA3 GLY 23 HA3 GLY 23 4.021 1.054 -0.609
186 H LEU 24 H LEU 24 3.065 -0.394 1.673
187 HA LEU 24 HA LEU 24 4.962 0.385 3.680
188 HB2 LEU 24 HB2 LEU 24 2.476 -1.330 3.575
189 HB3 LEU 24 HB3 LEU 24 3.364 -1.124 5.085
190 HG LEU 24 HG LEU 24 2.564 1.274 3.444
191 HD11 LEU 24 HD11 LEU 24 0.880 -0.289 5.415
192 HD12 LEU 24 HD12 LEU 24 0.469 0.153 3.758
193 HD13 LEU 24 HD13 LEU 24 0.556 1.397 5.006
194 HD21 LEU 24 HD21 LEU 24 4.188 1.527 5.305
195 HD22 LEU 24 HD22 LEU 24 3.013 0.815 6.412
196 HD23 LEU 24 HD23 LEU 24 2.676 2.369 5.648
197 H LEU 25 H LEU 25 4.222 -2.764 2.180
198 HA LEU 25 HA LEU 25 5.870 -4.409 3.851
199 HB2 LEU 25 HB2 LEU 25 4.416 -4.535 1.300
200 HB3 LEU 25 HB3 LEU 25 5.852 -5.558 1.315
201 HG LEU 25 HG LEU 25 3.856 -6.778 2.131
202 HD11 LEU 25 HD11 LEU 25 6.150 -7.283 3.011
203 HD12 LEU 25 HD12 LEU 25 4.863 -7.676 4.150
204 HD13 LEU 25 HD13 LEU 25 5.819 -6.211 4.372
205 HD21 LEU 25 HD21 LEU 25 3.888 -4.722 4.366
206 HD22 LEU 25 HD22 LEU 25 2.820 -6.122 4.264
207 HD23 LEU 25 HD23 LEU 25 2.677 -4.816 3.088
208 H GLN 26 H GLN 26 6.580 -2.523 0.922
209 HA GLN 26 HA GLN 26 9.320 -3.514 0.668
210 HB2 GLN 26 HB2 GLN 26 7.660 -1.300 -0.557
211 HB3 GLN 26 HB3 GLN 26 9.357 -1.530 -0.982
212 HG2 GLN 26 HG2 GLN 26 8.798 -3.936 -1.535
213 HG3 GLN 26 HG3 GLN 26 7.096 -3.517 -1.332
214 HE21 GLN 26 HE21 GLN 26 9.931 -3.041 -3.405
215 HE22 GLN 26 HE22 GLN 26 9.091 -2.296 -4.677
216 H GLN 27 H GLN 27 7.733 -0.964 2.463
217 HA GLN 27 HA GLN 27 9.904 0.862 2.787
218 HB2 GLN 27 HB2 GLN 27 7.349 0.942 3.396
219 HB3 GLN 27 HB3 GLN 27 7.889 0.279 4.940
220 HG2 GLN 27 HG2 GLN 27 8.286 2.432 5.530
221 HG3 GLN 27 HG3 GLN 27 9.709 2.312 4.496
222 HE21 GLN 27 HE21 GLN 27 9.034 2.667 1.988
223 HE22 GLN 27 HE22 GLN 27 8.013 3.995 1.721
224 H ALA 28 H ALA 28 9.330 -2.280 4.202
225 HA ALA 28 HA ALA 28 10.768 -2.160 6.627
226 HB1 ALA 28 HB1 ALA 28 11.089 -4.586 6.237
227 HB2 ALA 28 HB2 ALA 28 10.663 -4.361 4.540
228 HB3 ALA 28 HB3 ALA 28 9.457 -4.085 5.796
229 H SER 29 H SER 29 11.982 -2.645 3.324
230 HA SER 29 HA SER 29 14.797 -2.622 4.269
231 HB2 SER 29 HB2 SER 29 15.179 -3.055 1.793
232 HB3 SER 29 HB3 SER 29 14.195 -4.267 2.605
233 HG SER 29 HG SER 29 13.342 -3.479 0.566
234 H LYS 30 H LYS 30 12.447 -0.579 2.611
235 HA LYS 30 HA LYS 30 14.243 1.369 1.503
236 HB2 LYS 30 HB2 LYS 30 11.668 0.845 1.214
237 HB3 LYS 30 HB3 LYS 30 11.488 2.016 2.520
238 HG2 LYS 30 HG2 LYS 30 13.288 2.791 0.277
239 HG3 LYS 30 HG3 LYS 30 11.560 2.744 -0.075
240 HD2 LYS 30 HD2 LYS 30 11.733 4.001 2.421
241 HD3 LYS 30 HD3 LYS 30 13.063 4.686 1.488
242 HE2 LYS 30 HE2 LYS 30 11.616 5.519 -0.192
243 HE3 LYS 30 HE3 LYS 30 10.285 4.456 0.308
244 HZ1 LYS 30 HZ1 LYS 30 11.412 6.776 1.779
245 HZ2 LYS 30 HZ2 LYS 30 10.414 5.620 2.526
246 HZ3 LYS 30 HZ3 LYS 30 9.817 6.562 1.243
247 H GLN 31 H GLN 31 12.537 1.217 4.658
248 HA GLN 31 HA GLN 31 13.218 3.753 5.688
249 HB2 GLN 31 HB2 GLN 31 12.787 2.728 7.852
250 HB3 GLN 31 HB3 GLN 31 11.677 2.040 6.670
251 HG2 GLN 31 HG2 GLN 31 13.120 0.067 6.432
252 HG3 GLN 31 HG3 GLN 31 14.274 0.757 7.572
253 HE21 GLN 31 HE21 GLN 31 13.445 1.123 9.851
254 HE22 GLN 31 HE22 GLN 31 12.211 0.117 10.439
255 H ALA 32 H ALA 32 15.265 0.898 5.326
256 HA ALA 32 HA ALA 32 17.393 1.775 7.093
257 HB1 ALA 32 HB1 ALA 32 17.004 -0.564 6.373
258 HB2 ALA 32 HB2 ALA 32 18.628 -0.034 5.936
259 HB3 ALA 32 HB3 ALA 32 17.365 -0.108 4.708
260 H GLN 33 H GLN 33 16.672 2.213 3.639
261 HA GLN 33 HA GLN 33 19.138 3.892 3.339
262 HB2 GLN 33 HB2 GLN 33 18.163 1.768 1.889
263 HB3 GLN 33 HB3 GLN 33 17.537 3.139 0.972
264 HG2 GLN 33 HG2 GLN 33 19.830 4.106 0.901
265 HG3 GLN 33 HG3 GLN 33 20.433 2.678 1.743
266 HE21 GLN 33 HE21 GLN 33 18.562 3.539 -1.229
267 HE22 GLN 33 HE22 GLN 33 19.189 2.266 -2.161
268 H ASP 34 H ASP 34 16.542 4.835 4.576
269 HA ASP 34 HA ASP 34 15.267 6.541 2.553
270 HB2 ASP 34 HB2 ASP 34 14.786 5.575 5.232
271 HB3 ASP 34 HB3 ASP 34 14.580 7.325 5.197
272 H ILE 35 H ILE 35 17.069 7.267 5.591
273 HA ILE 35 HA ILE 35 17.724 9.961 4.466
274 HB ILE 35 HB ILE 35 17.919 8.840 7.290
275 HG12 ILE 35 HG12 ILE 35 15.887 10.845 6.310
276 HG13 ILE 35 HG13 ILE 35 15.587 9.116 6.141
277 HG21 ILE 35 HG21 ILE 35 18.545 11.479 6.035
278 HG22 ILE 35 HG22 ILE 35 19.325 10.670 7.395
279 HG23 ILE 35 HG23 ILE 35 17.785 11.497 7.626
280 HD11 ILE 35 HD11 ILE 35 15.252 8.829 8.372
281 HD12 ILE 35 HD12 ILE 35 14.965 10.568 8.375
282 HD13 ILE 35 HD13 ILE 35 16.553 9.937 8.808
283 H GLN 36 H GLN 36 19.174 7.954 3.274
284 HA GLN 36 HA GLN 36 21.862 8.106 4.603
285 HB2 GLN 36 HB2 GLN 36 20.661 5.869 4.487
286 HB3 GLN 36 HB3 GLN 36 20.803 5.967 2.732
287 HG2 GLN 36 HG2 GLN 36 23.274 6.166 2.971
288 HG3 GLN 36 HG3 GLN 36 23.098 5.969 4.716
289 HE21 GLN 36 HE21 GLN 36 23.383 3.840 5.391
290 HE22 GLN 36 HE22 GLN 36 23.048 2.467 4.452
291 HA PRO 37 HA PRO 37 22.017 10.181 0.438
292 HB2 PRO 37 HB2 PRO 37 23.202 12.492 1.289
293 HB3 PRO 37 HB3 PRO 37 21.443 12.252 1.280
294 HG2 PRO 37 HG2 PRO 37 23.357 12.119 3.546
295 HG3 PRO 37 HG3 PRO 37 21.695 12.725 3.504
296 HD2 PRO 37 HD2 PRO 37 22.428 10.274 4.505
297 HD3 PRO 37 HD3 PRO 37 20.805 10.668 3.898
298 H ALA 38 H ALA 38 24.271 9.254 2.886
299 HA ALA 38 HA ALA 38 26.668 9.944 1.291
300 HB1 ALA 38 HB1 ALA 38 26.144 8.665 3.986
301 HB2 ALA 38 HB2 ALA 38 26.775 10.281 3.664
302 HB3 ALA 38 HB3 ALA 38 27.766 8.862 3.324
303 H MET 39 H MET 39 24.546 7.710 0.573
304 HA MET 39 HA MET 39 26.255 5.292 0.622
305 HB2 MET 39 HB2 MET 39 23.661 5.557 0.987
306 HB3 MET 39 HB3 MET 39 23.602 5.572 -0.776
307 HG2 MET 39 HG2 MET 39 23.313 3.281 0.071
308 HG3 MET 39 HG3 MET 39 24.824 3.418 -0.827
309 HE1 MET 39 HE1 MET 39 25.350 0.813 1.926
310 HE2 MET 39 HE2 MET 39 24.267 1.181 0.587
311 HE3 MET 39 HE3 MET 39 23.726 1.437 2.244
312 H GLN 40 H GLN 40 24.667 7.367 -1.841
313 HA GLN 40 HA GLN 40 26.616 6.310 -3.866
314 HB2 GLN 40 HB2 GLN 40 23.724 6.891 -3.818
315 HB3 GLN 40 HB3 GLN 40 24.550 7.519 -5.243
316 HG2 GLN 40 HG2 GLN 40 25.134 5.418 -6.007
317 HG3 GLN 40 HG3 GLN 40 25.190 4.727 -4.386
318 HE21 GLN 40 HE21 GLN 40 22.889 4.664 -3.270
319 HE22 GLN 40 HE22 GLN 40 21.596 4.206 -4.270
Start of MODEL 8
1 HA ALA 1 HA ALA 1 -26.902 7.331 -4.461
2 HB1 ALA 1 HB1 ALA 1 -29.327 7.175 -3.879
3 HB2 ALA 1 HB2 ALA 1 -29.718 7.987 -5.394
4 HB3 ALA 1 HB3 ALA 1 -28.813 8.841 -4.143
5 H SER 2 H SER 2 -26.724 5.110 -4.504
6 HA SER 2 HA SER 2 -28.326 3.545 -6.471
7 HB2 SER 2 HB2 SER 2 -25.427 4.114 -6.503
8 HB3 SER 2 HB3 SER 2 -25.835 2.413 -6.700
9 HG SER 2 HG SER 2 -26.715 4.630 -8.236
10 H ARG 3 H ARG 3 -28.368 1.240 -5.933
11 HA ARG 3 HA ARG 3 -27.983 0.739 -3.023
12 HB2 ARG 3 HB2 ARG 3 -29.484 -0.615 -5.283
13 HB3 ARG 3 HB3 ARG 3 -29.366 -1.322 -3.671
14 HG2 ARG 3 HG2 ARG 3 -30.213 0.997 -2.839
15 HG3 ARG 3 HG3 ARG 3 -30.730 1.232 -4.509
16 HD2 ARG 3 HD2 ARG 3 -31.532 -1.404 -3.671
17 HD3 ARG 3 HD3 ARG 3 -32.092 -0.221 -2.472
18 HE ARG 3 HE ARG 3 -33.338 0.907 -4.208
19 HH11 ARG 3 HH11 ARG 3 -34.262 -1.789 -4.902
20 HH12 ARG 3 HH12 ARG 3 -33.883 -1.923 -6.587
21 HH21 ARG 3 HH21 ARG 3 -31.648 0.743 -6.562
22 HH22 ARG 3 HH22 ARG 3 -32.395 -0.483 -7.531
23 H ALA 4 H ALA 4 -27.088 -0.653 -6.196
24 HA ALA 4 HA ALA 4 -25.385 -2.709 -4.950
25 HB1 ALA 4 HB1 ALA 4 -24.997 -3.303 -7.338
26 HB2 ALA 4 HB2 ALA 4 -25.882 -1.857 -7.821
27 HB3 ALA 4 HB3 ALA 4 -26.715 -3.156 -6.966
28 H ALA 5 H ALA 5 -24.985 0.535 -6.193
29 HA ALA 5 HA ALA 5 -22.275 0.508 -7.031
30 HB1 ALA 5 HB1 ALA 5 -23.974 2.613 -5.665
31 HB2 ALA 5 HB2 ALA 5 -23.751 2.389 -7.402
32 HB3 ALA 5 HB3 ALA 5 -22.409 2.951 -6.405
33 H LEU 6 H LEU 6 -23.591 1.163 -3.740
34 HA LEU 6 HA LEU 6 -21.132 1.661 -2.432
35 HB2 LEU 6 HB2 LEU 6 -22.375 1.248 -0.415
36 HB3 LEU 6 HB3 LEU 6 -23.509 1.929 -1.578
37 HG LEU 6 HG LEU 6 -23.825 -0.701 -2.136
38 HD11 LEU 6 HD11 LEU 6 -23.653 -0.810 0.848
39 HD12 LEU 6 HD12 LEU 6 -22.153 -0.979 -0.066
40 HD13 LEU 6 HD13 LEU 6 -23.482 -2.109 -0.333
41 HD21 LEU 6 HD21 LEU 6 -25.171 0.802 0.134
42 HD22 LEU 6 HD22 LEU 6 -25.837 -0.597 -0.707
43 HD23 LEU 6 HD23 LEU 6 -25.606 0.922 -1.571
44 H ILE 7 H ILE 7 -22.532 -1.425 -3.444
45 HA ILE 7 HA ILE 7 -20.833 -3.133 -1.834
46 HB ILE 7 HB ILE 7 -22.233 -3.597 -4.498
47 HG12 ILE 7 HG12 ILE 7 -23.187 -4.325 -1.714
48 HG13 ILE 7 HG13 ILE 7 -23.659 -2.830 -2.519
49 HG21 ILE 7 HG21 ILE 7 -21.526 -5.680 -2.427
50 HG22 ILE 7 HG22 ILE 7 -20.399 -5.246 -3.713
51 HG23 ILE 7 HG23 ILE 7 -21.978 -5.919 -4.115
52 HD11 ILE 7 HD11 ILE 7 -24.366 -4.350 -4.493
53 HD12 ILE 7 HD12 ILE 7 -25.400 -4.329 -3.064
54 HD13 ILE 7 HD13 ILE 7 -24.282 -5.669 -3.324
55 H GLU 8 H GLU 8 -20.657 -2.023 -5.238
56 HA GLU 8 HA GLU 8 -18.045 -3.212 -5.717
57 HB2 GLU 8 HB2 GLU 8 -20.080 -1.591 -7.099
58 HB3 GLU 8 HB3 GLU 8 -18.429 -1.226 -7.600
59 HG2 GLU 8 HG2 GLU 8 -18.132 -3.801 -7.759
60 HG3 GLU 8 HG3 GLU 8 -19.894 -3.859 -7.737
61 H GLU 9 H GLU 9 -19.213 -0.058 -4.610
62 HA GLU 9 HA GLU 9 -16.961 1.588 -4.941
63 HB2 GLU 9 HB2 GLU 9 -19.370 1.463 -3.355
64 HB3 GLU 9 HB3 GLU 9 -18.048 2.055 -2.351
65 HG2 GLU 9 HG2 GLU 9 -18.650 4.058 -3.297
66 HG3 GLU 9 HG3 GLU 9 -17.566 3.501 -4.571
67 H GLY 10 H GLY 10 -17.594 -0.768 -2.310
68 HA2 GLY 10 HA2 GLY 10 -15.213 -0.229 -0.805
69 HA3 GLY 10 HA3 GLY 10 -16.132 -1.734 -0.740
70 H GLN 11 H GLN 11 -15.913 -2.475 -3.477
71 HA GLN 11 HA GLN 11 -13.457 -3.904 -3.553
72 HB2 GLN 11 HB2 GLN 11 -15.814 -3.548 -5.112
73 HB3 GLN 11 HB3 GLN 11 -14.448 -3.287 -6.198
74 HG2 GLN 11 HG2 GLN 11 -14.676 -5.596 -6.340
75 HG3 GLN 11 HG3 GLN 11 -13.502 -5.462 -5.032
76 HE21 GLN 11 HE21 GLN 11 -14.225 -5.947 -2.847
77 HE22 GLN 11 HE22 GLN 11 -15.729 -6.671 -2.545
78 H ARG 12 H ARG 12 -14.362 -0.784 -5.059
79 HA ARG 12 HA ARG 12 -11.871 -0.300 -6.410
80 HB2 ARG 12 HB2 ARG 12 -14.094 1.449 -5.321
81 HB3 ARG 12 HB3 ARG 12 -12.746 2.108 -6.248
82 HG2 ARG 12 HG2 ARG 12 -13.310 0.727 -8.161
83 HG3 ARG 12 HG3 ARG 12 -14.557 -0.112 -7.238
84 HD2 ARG 12 HD2 ARG 12 -15.848 1.962 -7.019
85 HD3 ARG 12 HD3 ARG 12 -14.575 2.862 -7.871
86 HE ARG 12 HE ARG 12 -16.438 0.924 -9.100
87 HH11 ARG 12 HH11 ARG 12 -15.064 3.765 -9.819
88 HH12 ARG 12 HH12 ARG 12 -14.323 3.303 -11.314
89 HH21 ARG 12 HH21 ARG 12 -14.835 -0.100 -10.825
90 HH22 ARG 12 HH22 ARG 12 -14.193 1.109 -11.886
91 H ILE 13 H ILE 13 -13.080 0.709 -3.193
92 HA ILE 13 HA ILE 13 -10.737 2.171 -2.389
93 HB ILE 13 HB ILE 13 -12.903 0.694 -0.847
94 HG12 ILE 13 HG12 ILE 13 -13.738 2.513 -2.282
95 HG13 ILE 13 HG13 ILE 13 -13.859 2.972 -0.586
96 HG21 ILE 13 HG21 ILE 13 -11.239 0.974 0.775
97 HG22 ILE 13 HG22 ILE 13 -12.172 2.462 0.944
98 HG23 ILE 13 HG23 ILE 13 -10.650 2.472 0.055
99 HD11 ILE 13 HD11 ILE 13 -11.896 3.933 -2.661
100 HD12 ILE 13 HD12 ILE 13 -11.508 4.041 -0.944
101 HD13 ILE 13 HD13 ILE 13 -12.919 4.884 -1.583
102 H ALA 14 H ALA 14 -11.719 -1.242 -1.960
103 HA ALA 14 HA ALA 14 -9.554 -2.117 -0.326
104 HB1 ALA 14 HB1 ALA 14 -11.578 -3.419 -0.780
105 HB2 ALA 14 HB2 ALA 14 -10.168 -4.346 -1.296
106 HB3 ALA 14 HB3 ALA 14 -11.161 -3.514 -2.492
107 H GLU 15 H GLU 15 -9.831 -1.917 -3.891
108 HA GLU 15 HA GLU 15 -7.301 -3.095 -4.540
109 HB2 GLU 15 HB2 GLU 15 -9.236 -2.654 -6.070
110 HB3 GLU 15 HB3 GLU 15 -8.882 -0.929 -5.971
111 HG2 GLU 15 HG2 GLU 15 -6.421 -2.001 -6.628
112 HG3 GLU 15 HG3 GLU 15 -7.537 -3.027 -7.532
113 H MET 16 H MET 16 -8.243 0.338 -4.091
114 HA MET 16 HA MET 16 -5.633 1.464 -4.512
115 HB2 MET 16 HB2 MET 16 -8.008 2.518 -4.437
116 HB3 MET 16 HB3 MET 16 -7.770 2.581 -2.691
117 HG2 MET 16 HG2 MET 16 -5.622 3.821 -3.092
118 HG3 MET 16 HG3 MET 16 -6.030 3.876 -4.807
119 HE1 MET 16 HE1 MET 16 -6.514 5.854 -1.392
120 HE2 MET 16 HE2 MET 16 -6.504 7.225 -2.498
121 HE3 MET 16 HE3 MET 16 -5.319 5.936 -2.693
122 H LEU 17 H LEU 17 -7.322 0.337 -1.573
123 HA LEU 17 HA LEU 17 -5.421 1.189 0.375
124 HB2 LEU 17 HB2 LEU 17 -7.745 0.302 0.743
125 HB3 LEU 17 HB3 LEU 17 -7.149 -1.309 0.341
126 HG LEU 17 HG LEU 17 -5.462 -0.031 2.340
127 HD11 LEU 17 HD11 LEU 17 -7.585 1.101 2.941
128 HD12 LEU 17 HD12 LEU 17 -7.095 -0.055 4.180
129 HD13 LEU 17 HD13 LEU 17 -8.381 -0.470 3.047
130 HD21 LEU 17 HD21 LEU 17 -7.210 -2.496 2.569
131 HD22 LEU 17 HD22 LEU 17 -5.703 -2.158 3.423
132 HD23 LEU 17 HD23 LEU 17 -5.679 -2.491 1.692
133 H LYS 18 H LYS 18 -5.608 -1.783 -1.562
134 HA LYS 18 HA LYS 18 -3.383 -3.162 -0.381
135 HB2 LYS 18 HB2 LYS 18 -5.272 -3.949 -1.973
136 HB3 LYS 18 HB3 LYS 18 -4.252 -3.332 -3.273
137 HG2 LYS 18 HG2 LYS 18 -2.869 -5.050 -1.294
138 HG3 LYS 18 HG3 LYS 18 -4.075 -5.868 -2.287
139 HD2 LYS 18 HD2 LYS 18 -2.815 -4.397 -4.191
140 HD3 LYS 18 HD3 LYS 18 -1.478 -4.668 -3.071
141 HE2 LYS 18 HE2 LYS 18 -3.038 -7.108 -3.472
142 HE3 LYS 18 HE3 LYS 18 -2.380 -6.485 -4.998
143 HZ1 LYS 18 HZ1 LYS 18 -0.214 -6.365 -4.063
144 HZ2 LYS 18 HZ2 LYS 18 -0.809 -7.914 -3.698
145 HZ3 LYS 18 HZ3 LYS 18 -0.782 -6.707 -2.501
146 H SER 19 H SER 19 -3.609 -0.833 -3.075
147 HA SER 19 HA SER 19 -0.883 -1.026 -3.973
148 HB2 SER 19 HB2 SER 19 -3.033 0.086 -4.983
149 HB3 SER 19 HB3 SER 19 -2.547 1.490 -4.037
150 HG SER 19 HG SER 19 -1.716 1.293 -6.275
151 H LYS 20 H LYS 20 -2.477 0.985 -1.498
152 HA LYS 20 HA LYS 20 -0.221 2.660 -0.873
153 HB2 LYS 20 HB2 LYS 20 -2.748 2.833 -0.284
154 HB3 LYS 20 HB3 LYS 20 -2.362 1.763 1.064
155 HG2 LYS 20 HG2 LYS 20 -0.507 3.424 1.662
156 HG3 LYS 20 HG3 LYS 20 -1.265 4.528 0.515
157 HD2 LYS 20 HD2 LYS 20 -2.880 5.064 1.989
158 HD3 LYS 20 HD3 LYS 20 -3.254 3.364 2.276
159 HE2 LYS 20 HE2 LYS 20 -2.463 3.840 4.387
160 HE3 LYS 20 HE3 LYS 20 -0.882 3.585 3.623
161 HZ1 LYS 20 HZ1 LYS 20 -0.873 5.952 3.008
162 HZ2 LYS 20 HZ2 LYS 20 -0.918 5.735 4.692
163 HZ3 LYS 20 HZ3 LYS 20 -2.328 6.176 3.853
164 H ILE 21 H ILE 21 -1.328 -0.487 0.387
165 HA ILE 21 HA ILE 21 0.632 -0.703 2.497
166 HB ILE 21 HB ILE 21 -1.004 -2.721 0.925
167 HG12 ILE 21 HG12 ILE 21 -2.295 -1.068 2.253
168 HG13 ILE 21 HG13 ILE 21 -2.455 -2.693 2.913
169 HG21 ILE 21 HG21 ILE 21 -0.541 -4.039 3.187
170 HG22 ILE 21 HG22 ILE 21 0.921 -3.051 3.196
171 HG23 ILE 21 HG23 ILE 21 0.593 -4.128 1.839
172 HD11 ILE 21 HD11 ILE 21 -0.673 -0.471 3.951
173 HD12 ILE 21 HD12 ILE 21 -0.603 -2.134 4.533
174 HD13 ILE 21 HD13 ILE 21 -2.069 -1.181 4.761
175 H GLN 22 H GLN 22 0.599 -1.620 -0.920
176 HA GLN 22 HA GLN 22 2.993 -3.199 -0.963
177 HB2 GLN 22 HB2 GLN 22 1.023 -2.287 -2.741
178 HB3 GLN 22 HB3 GLN 22 2.522 -1.592 -3.358
179 HG2 GLN 22 HG2 GLN 22 2.421 -4.489 -2.543
180 HG3 GLN 22 HG3 GLN 22 1.842 -3.993 -4.132
181 HE21 GLN 22 HE21 GLN 22 3.431 -2.975 -5.611
182 HE22 GLN 22 HE22 GLN 22 5.096 -3.208 -5.369
183 H GLY 23 H GLY 23 2.442 0.307 -1.421
184 HA2 GLY 23 HA2 GLY 23 5.178 0.989 -1.974
185 HA3 GLY 23 HA3 GLY 23 3.949 2.111 -1.384
186 H LEU 24 H LEU 24 3.298 0.706 1.030
187 HA LEU 24 HA LEU 24 5.270 1.731 2.841
188 HB2 LEU 24 HB2 LEU 24 2.865 -0.058 2.947
189 HB3 LEU 24 HB3 LEU 24 3.909 0.015 4.367
190 HG LEU 24 HG LEU 24 2.822 2.488 2.999
191 HD11 LEU 24 HD11 LEU 24 1.741 1.065 5.453
192 HD12 LEU 24 HD12 LEU 24 0.972 1.062 3.866
193 HD13 LEU 24 HD13 LEU 24 1.129 2.571 4.766
194 HD21 LEU 24 HD21 LEU 24 4.211 1.905 5.626
195 HD22 LEU 24 HD22 LEU 24 3.339 3.411 5.335
196 HD23 LEU 24 HD23 LEU 24 4.736 2.994 4.341
197 H LEU 25 H LEU 25 4.713 -1.524 1.502
198 HA LEU 25 HA LEU 25 6.676 -2.908 3.097
199 HB2 LEU 25 HB2 LEU 25 4.956 -3.350 0.744
200 HB3 LEU 25 HB3 LEU 25 6.462 -4.262 0.685
201 HG LEU 25 HG LEU 25 4.647 -5.534 1.807
202 HD11 LEU 25 HD11 LEU 25 6.738 -4.713 3.832
203 HD12 LEU 25 HD12 LEU 25 7.108 -5.731 2.441
204 HD13 LEU 25 HD13 LEU 25 5.958 -6.285 3.656
205 HD21 LEU 25 HD21 LEU 25 3.760 -4.790 3.945
206 HD22 LEU 25 HD22 LEU 25 3.502 -3.510 2.760
207 HD23 LEU 25 HD23 LEU 25 4.811 -3.374 3.932
208 H GLN 26 H GLN 26 6.834 -1.221 -0.038
209 HA GLN 26 HA GLN 26 9.492 -1.987 -0.786
210 HB2 GLN 26 HB2 GLN 26 7.508 -0.720 -2.000
211 HB3 GLN 26 HB3 GLN 26 8.320 0.719 -1.385
212 HG2 GLN 26 HG2 GLN 26 9.944 -1.380 -2.788
213 HG3 GLN 26 HG3 GLN 26 8.978 -0.261 -3.748
214 HE21 GLN 26 HE21 GLN 26 12.067 -0.576 -2.885
215 HE22 GLN 26 HE22 GLN 26 12.498 1.040 -2.593
216 H GLN 27 H GLN 27 8.286 0.869 1.018
217 HA GLN 27 HA GLN 27 10.879 2.044 1.480
218 HB2 GLN 27 HB2 GLN 27 8.147 2.598 1.962
219 HB3 GLN 27 HB3 GLN 27 8.927 2.616 3.544
220 HG2 GLN 27 HG2 GLN 27 10.142 4.483 3.068
221 HG3 GLN 27 HG3 GLN 27 10.441 3.982 1.403
222 HE21 GLN 27 HE21 GLN 27 9.358 5.231 -0.132
223 HE22 GLN 27 HE22 GLN 27 7.925 6.094 0.151
224 H ALA 28 H ALA 28 8.956 -0.356 3.206
225 HA ALA 28 HA ALA 28 10.380 -0.419 5.679
226 HB1 ALA 28 HB1 ALA 28 9.011 -2.659 4.160
227 HB2 ALA 28 HB2 ALA 28 8.182 -1.483 5.180
228 HB3 ALA 28 HB3 ALA 28 9.321 -2.624 5.896
229 H SER 29 H SER 29 11.145 -1.762 2.520
230 HA SER 29 HA SER 29 13.079 -3.728 3.255
231 HB2 SER 29 HB2 SER 29 12.985 -1.868 0.852
232 HB3 SER 29 HB3 SER 29 13.876 -3.383 0.938
233 HG SER 29 HG SER 29 11.199 -2.913 0.544
234 H LYS 30 H LYS 30 13.573 -0.286 2.345
235 HA LYS 30 HA LYS 30 16.388 -0.268 3.043
236 HB2 LYS 30 HB2 LYS 30 14.292 1.561 2.083
237 HB3 LYS 30 HB3 LYS 30 15.469 2.351 3.131
238 HG2 LYS 30 HG2 LYS 30 17.230 1.066 1.663
239 HG3 LYS 30 HG3 LYS 30 15.911 0.974 0.496
240 HD2 LYS 30 HD2 LYS 30 16.626 3.602 1.789
241 HD3 LYS 30 HD3 LYS 30 17.522 3.021 0.386
242 HE2 LYS 30 HE2 LYS 30 14.532 2.955 0.225
243 HE3 LYS 30 HE3 LYS 30 15.335 4.530 0.079
244 HZ1 LYS 30 HZ1 LYS 30 15.125 3.288 -2.061
245 HZ2 LYS 30 HZ2 LYS 30 16.174 2.111 -1.432
246 HZ3 LYS 30 HZ3 LYS 30 16.717 3.706 -1.656
247 H GLN 31 H GLN 31 13.387 0.619 4.753
248 HA GLN 31 HA GLN 31 14.590 1.827 7.063
249 HB2 GLN 31 HB2 GLN 31 11.983 0.413 6.466
250 HB3 GLN 31 HB3 GLN 31 12.321 1.073 8.067
251 HG2 GLN 31 HG2 GLN 31 13.046 3.125 6.308
252 HG3 GLN 31 HG3 GLN 31 11.560 2.468 5.625
253 HE21 GLN 31 HE21 GLN 31 12.828 3.315 8.912
254 HE22 GLN 31 HE22 GLN 31 11.377 4.020 9.438
255 H ALA 32 H ALA 32 13.789 -1.557 6.275
256 HA ALA 32 HA ALA 32 14.349 -2.716 8.838
257 HB1 ALA 32 HB1 ALA 32 14.466 -4.790 7.530
258 HB2 ALA 32 HB2 ALA 32 14.703 -3.864 6.047
259 HB3 ALA 32 HB3 ALA 32 13.164 -3.777 6.905
260 H GLN 33 H GLN 33 16.430 -1.773 6.133
261 HA GLN 33 HA GLN 33 18.833 -2.976 7.392
262 HB2 GLN 33 HB2 GLN 33 18.083 -1.686 4.780
263 HB3 GLN 33 HB3 GLN 33 19.786 -1.832 5.215
264 HG2 GLN 33 HG2 GLN 33 19.584 -4.239 5.439
265 HG3 GLN 33 HG3 GLN 33 17.838 -4.155 5.200
266 HE21 GLN 33 HE21 GLN 33 20.807 -3.002 3.470
267 HE22 GLN 33 HE22 GLN 33 20.241 -3.429 1.927
268 H ASP 34 H ASP 34 17.142 -0.191 7.966
269 HA ASP 34 HA ASP 34 19.525 1.208 8.991
270 HB2 ASP 34 HB2 ASP 34 18.365 1.774 6.443
271 HB3 ASP 34 HB3 ASP 34 17.959 3.118 7.511
272 H ILE 35 H ILE 35 18.344 0.690 10.998
273 HA ILE 35 HA ILE 35 15.727 2.022 11.422
274 HB ILE 35 HB ILE 35 17.463 0.421 13.336
275 HG12 ILE 35 HG12 ILE 35 15.255 -1.086 12.309
276 HG13 ILE 35 HG13 ILE 35 16.152 -0.438 10.937
277 HG21 ILE 35 HG21 ILE 35 14.940 -0.109 14.064
278 HG22 ILE 35 HG22 ILE 35 14.672 1.481 13.350
279 HG23 ILE 35 HG23 ILE 35 15.809 1.295 14.685
280 HD11 ILE 35 HD11 ILE 35 18.237 -1.251 12.402
281 HD12 ILE 35 HD12 ILE 35 17.392 -2.347 11.310
282 HD13 ILE 35 HD13 ILE 35 17.031 -2.371 13.036
283 H GLN 36 H GLN 36 18.226 3.645 11.000
284 HA GLN 36 HA GLN 36 17.988 5.333 13.431
285 HB2 GLN 36 HB2 GLN 36 20.529 5.475 13.454
286 HB3 GLN 36 HB3 GLN 36 19.869 3.914 13.935
287 HG2 GLN 36 HG2 GLN 36 20.193 3.879 11.094
288 HG3 GLN 36 HG3 GLN 36 21.691 4.483 11.800
289 HE21 GLN 36 HE21 GLN 36 23.086 2.927 12.688
290 HE22 GLN 36 HE22 GLN 36 22.649 1.319 13.010
291 HA PRO 37 HA PRO 37 18.090 8.500 10.391
292 HB2 PRO 37 HB2 PRO 37 18.996 10.616 11.880
293 HB3 PRO 37 HB3 PRO 37 17.355 9.956 12.016
294 HG2 PRO 37 HG2 PRO 37 19.707 9.552 13.784
295 HG3 PRO 37 HG3 PRO 37 17.991 9.687 14.196
296 HD2 PRO 37 HD2 PRO 37 19.369 7.316 14.085
297 HD3 PRO 37 HD3 PRO 37 17.610 7.464 13.879
298 H ALA 38 H ALA 38 20.905 9.595 12.306
299 HA ALA 38 HA ALA 38 22.575 9.307 9.834
300 HB1 ALA 38 HB1 ALA 38 23.884 11.157 10.909
301 HB2 ALA 38 HB2 ALA 38 22.725 11.153 12.238
302 HB3 ALA 38 HB3 ALA 38 22.200 11.589 10.611
303 H MET 39 H MET 39 22.079 7.320 12.215
304 HA MET 39 HA MET 39 24.687 7.131 13.531
305 HB2 MET 39 HB2 MET 39 22.174 6.352 14.139
306 HB3 MET 39 HB3 MET 39 22.775 4.846 13.447
307 HG2 MET 39 HG2 MET 39 24.656 6.152 15.303
308 HG3 MET 39 HG3 MET 39 23.153 5.615 16.055
309 HE1 MET 39 HE1 MET 39 22.105 3.615 15.803
310 HE2 MET 39 HE2 MET 39 23.155 2.948 17.051
311 HE3 MET 39 HE3 MET 39 22.832 2.017 15.592
312 H GLN 40 H GLN 40 23.187 5.740 10.650
313 HA GLN 40 HA GLN 40 25.420 3.792 10.344
314 HB2 GLN 40 HB2 GLN 40 22.627 3.937 9.676
315 HB3 GLN 40 HB3 GLN 40 23.547 3.726 8.187
316 HG2 GLN 40 HG2 GLN 40 24.697 1.784 9.135
317 HG3 GLN 40 HG3 GLN 40 23.857 2.012 10.669
318 HE21 GLN 40 HE21 GLN 40 23.474 0.879 7.343
319 HE22 GLN 40 HE22 GLN 40 21.918 0.232 7.552
Start of MODEL 9
1 HA ALA 1 HA ALA 1 -28.681 4.515 2.178
2 HB1 ALA 1 HB1 ALA 1 -26.716 3.839 3.465
3 HB2 ALA 1 HB2 ALA 1 -27.698 2.750 4.446
4 HB3 ALA 1 HB3 ALA 1 -27.922 4.496 4.570
5 H SER 2 H SER 2 -27.438 3.369 0.596
6 HA SER 2 HA SER 2 -28.492 0.740 -0.159
7 HB2 SER 2 HB2 SER 2 -26.707 2.853 -1.265
8 HB3 SER 2 HB3 SER 2 -26.462 1.221 -1.879
9 HG SER 2 HG SER 2 -28.030 2.201 -3.124
10 H ARG 3 H ARG 3 -27.387 -1.236 -0.037
11 HA ARG 3 HA ARG 3 -24.899 -1.249 1.631
12 HB2 ARG 3 HB2 ARG 3 -27.296 -2.499 1.965
13 HB3 ARG 3 HB3 ARG 3 -26.419 -3.738 1.072
14 HG2 ARG 3 HG2 ARG 3 -25.272 -4.297 2.922
15 HG3 ARG 3 HG3 ARG 3 -24.671 -2.644 3.069
16 HD2 ARG 3 HD2 ARG 3 -27.101 -2.181 4.041
17 HD3 ARG 3 HD3 ARG 3 -27.041 -3.919 4.397
18 HE ARG 3 HE ARG 3 -25.023 -1.932 5.374
19 HH11 ARG 3 HH11 ARG 3 -27.097 -3.265 7.171
20 HH12 ARG 3 HH12 ARG 3 -26.154 -4.521 7.900
21 HH21 ARG 3 HH21 ARG 3 -23.579 -4.298 5.576
22 HH22 ARG 3 HH22 ARG 3 -24.155 -5.107 6.994
23 H ALA 4 H ALA 4 -26.365 -2.912 -1.196
24 HA ALA 4 HA ALA 4 -24.103 -4.407 -2.027
25 HB1 ALA 4 HB1 ALA 4 -26.405 -3.125 -3.524
26 HB2 ALA 4 HB2 ALA 4 -26.302 -4.784 -2.935
27 HB3 ALA 4 HB3 ALA 4 -25.284 -4.259 -4.276
28 H ALA 5 H ALA 5 -25.122 -1.129 -3.079
29 HA ALA 5 HA ALA 5 -22.999 -0.606 -4.893
30 HB1 ALA 5 HB1 ALA 5 -24.743 1.096 -3.102
31 HB2 ALA 5 HB2 ALA 5 -24.887 0.840 -4.840
32 HB3 ALA 5 HB3 ALA 5 -23.570 1.823 -4.200
33 H LEU 6 H LEU 6 -23.211 0.060 -1.376
34 HA LEU 6 HA LEU 6 -20.736 1.377 -1.000
35 HB2 LEU 6 HB2 LEU 6 -22.657 0.976 0.621
36 HB3 LEU 6 HB3 LEU 6 -22.012 -0.648 0.865
37 HG LEU 6 HG LEU 6 -19.933 1.390 1.084
38 HD11 LEU 6 HD11 LEU 6 -20.725 2.322 3.240
39 HD12 LEU 6 HD12 LEU 6 -22.270 1.501 3.016
40 HD13 LEU 6 HD13 LEU 6 -21.782 2.782 1.906
41 HD21 LEU 6 HD21 LEU 6 -21.019 -0.651 3.053
42 HD22 LEU 6 HD22 LEU 6 -19.454 0.156 3.144
43 HD23 LEU 6 HD23 LEU 6 -19.784 -0.982 1.837
44 H ILE 7 H ILE 7 -21.442 -2.128 -1.087
45 HA ILE 7 HA ILE 7 -18.792 -3.033 -0.415
46 HB ILE 7 HB ILE 7 -21.059 -4.274 -2.018
47 HG12 ILE 7 HG12 ILE 7 -20.318 -4.982 0.807
48 HG13 ILE 7 HG13 ILE 7 -21.273 -3.528 0.510
49 HG21 ILE 7 HG21 ILE 7 -19.389 -5.756 -2.551
50 HG22 ILE 7 HG22 ILE 7 -19.761 -6.383 -0.946
51 HG23 ILE 7 HG23 ILE 7 -18.393 -5.294 -1.171
52 HD11 ILE 7 HD11 ILE 7 -22.671 -5.569 0.926
53 HD12 ILE 7 HD12 ILE 7 -21.998 -6.276 -0.541
54 HD13 ILE 7 HD13 ILE 7 -22.979 -4.815 -0.637
55 H GLU 8 H GLU 8 -20.402 -2.437 -3.560
56 HA GLU 8 HA GLU 8 -18.252 -3.279 -5.256
57 HB2 GLU 8 HB2 GLU 8 -20.733 -2.727 -5.741
58 HB3 GLU 8 HB3 GLU 8 -20.212 -1.044 -5.828
59 HG2 GLU 8 HG2 GLU 8 -20.030 -1.711 -8.060
60 HG3 GLU 8 HG3 GLU 8 -18.389 -1.977 -7.473
61 H GLU 9 H GLU 9 -19.046 -0.090 -3.844
62 HA GLU 9 HA GLU 9 -16.965 1.413 -5.129
63 HB2 GLU 9 HB2 GLU 9 -18.544 1.692 -2.560
64 HB3 GLU 9 HB3 GLU 9 -17.397 2.924 -3.090
65 HG2 GLU 9 HG2 GLU 9 -18.631 3.366 -5.080
66 HG3 GLU 9 HG3 GLU 9 -19.600 1.905 -4.895
67 H GLY 10 H GLY 10 -17.049 -0.404 -2.052
68 HA2 GLY 10 HA2 GLY 10 -14.464 0.371 -1.101
69 HA3 GLY 10 HA3 GLY 10 -15.307 -1.107 -0.639
70 H GLN 11 H GLN 11 -15.513 -2.326 -3.190
71 HA GLN 11 HA GLN 11 -13.011 -3.670 -3.444
72 HB2 GLN 11 HB2 GLN 11 -15.579 -3.420 -4.918
73 HB3 GLN 11 HB3 GLN 11 -14.216 -4.010 -5.869
74 HG2 GLN 11 HG2 GLN 11 -14.109 -5.982 -4.734
75 HG3 GLN 11 HG3 GLN 11 -14.476 -5.224 -3.186
76 HE21 GLN 11 HE21 GLN 11 -16.229 -6.577 -2.528
77 HE22 GLN 11 HE22 GLN 11 -17.678 -6.709 -3.403
78 H ARG 12 H ARG 12 -14.373 -0.902 -5.235
79 HA ARG 12 HA ARG 12 -12.255 -0.639 -7.166
80 HB2 ARG 12 HB2 ARG 12 -14.554 0.358 -7.268
81 HB3 ARG 12 HB3 ARG 12 -14.101 1.456 -5.965
82 HG2 ARG 12 HG2 ARG 12 -13.774 2.679 -7.991
83 HG3 ARG 12 HG3 ARG 12 -12.164 2.209 -7.445
84 HD2 ARG 12 HD2 ARG 12 -12.318 0.194 -8.975
85 HD3 ARG 12 HD3 ARG 12 -13.810 0.897 -9.635
86 HE ARG 12 HE ARG 12 -11.100 2.126 -9.836
87 HH11 ARG 12 HH11 ARG 12 -13.203 4.220 -9.599
88 HH12 ARG 12 HH12 ARG 12 -13.666 4.478 -11.248
89 HH21 ARG 12 HH21 ARG 12 -12.236 1.520 -12.383
90 HH22 ARG 12 HH22 ARG 12 -13.116 2.943 -12.831
91 H ILE 13 H ILE 13 -12.832 0.967 -4.009
92 HA ILE 13 HA ILE 13 -10.386 2.518 -4.050
93 HB ILE 13 HB ILE 13 -12.187 1.577 -1.786
94 HG12 ILE 13 HG12 ILE 13 -13.398 2.905 -3.456
95 HG13 ILE 13 HG13 ILE 13 -13.165 3.862 -1.994
96 HG21 ILE 13 HG21 ILE 13 -11.128 3.942 -0.956
97 HG22 ILE 13 HG22 ILE 13 -9.771 3.292 -1.873
98 HG23 ILE 13 HG23 ILE 13 -10.450 2.371 -0.532
99 HD11 ILE 13 HD11 ILE 13 -10.910 4.532 -3.335
100 HD12 ILE 13 HD12 ILE 13 -12.421 5.428 -3.490
101 HD13 ILE 13 HD13 ILE 13 -11.985 4.219 -4.698
102 H ALA 14 H ALA 14 -11.278 -0.678 -2.744
103 HA ALA 14 HA ALA 14 -8.953 -1.262 -1.228
104 HB1 ALA 14 HB1 ALA 14 -9.608 -3.652 -1.824
105 HB2 ALA 14 HB2 ALA 14 -10.821 -2.964 -2.904
106 HB3 ALA 14 HB3 ALA 14 -10.914 -2.664 -1.169
107 H GLU 15 H GLU 15 -9.531 -1.635 -4.746
108 HA GLU 15 HA GLU 15 -6.981 -2.903 -5.298
109 HB2 GLU 15 HB2 GLU 15 -9.366 -2.357 -6.634
110 HB3 GLU 15 HB3 GLU 15 -8.191 -1.337 -7.464
111 HG2 GLU 15 HG2 GLU 15 -7.833 -4.303 -6.937
112 HG3 GLU 15 HG3 GLU 15 -8.347 -3.611 -8.474
113 H MET 16 H MET 16 -8.177 0.464 -5.631
114 HA MET 16 HA MET 16 -5.765 1.637 -6.611
115 HB2 MET 16 HB2 MET 16 -8.218 2.521 -6.309
116 HB3 MET 16 HB3 MET 16 -7.661 3.011 -4.708
117 HG2 MET 16 HG2 MET 16 -6.867 4.883 -5.685
118 HG3 MET 16 HG3 MET 16 -5.625 3.866 -6.414
119 HE1 MET 16 HE1 MET 16 -5.071 3.831 -8.279
120 HE2 MET 16 HE2 MET 16 -5.740 4.678 -9.673
121 HE3 MET 16 HE3 MET 16 -6.099 2.969 -9.434
122 H LEU 17 H LEU 17 -6.894 0.981 -3.292
123 HA LEU 17 HA LEU 17 -4.700 2.301 -1.946
124 HB2 LEU 17 HB2 LEU 17 -6.948 0.455 -1.312
125 HB3 LEU 17 HB3 LEU 17 -5.608 0.474 -0.165
126 HG LEU 17 HG LEU 17 -6.969 2.995 -1.145
127 HD11 LEU 17 HD11 LEU 17 -8.588 1.550 0.051
128 HD12 LEU 17 HD12 LEU 17 -8.192 2.990 0.989
129 HD13 LEU 17 HD13 LEU 17 -7.471 1.436 1.410
130 HD21 LEU 17 HD21 LEU 17 -5.462 4.080 0.155
131 HD22 LEU 17 HD22 LEU 17 -4.569 2.561 0.216
132 HD23 LEU 17 HD23 LEU 17 -5.712 2.964 1.497
133 H LYS 18 H LYS 18 -5.175 -0.930 -3.268
134 HA LYS 18 HA LYS 18 -3.092 -2.358 -1.969
135 HB2 LYS 18 HB2 LYS 18 -4.935 -2.699 -4.087
136 HB3 LYS 18 HB3 LYS 18 -3.349 -3.033 -4.781
137 HG2 LYS 18 HG2 LYS 18 -3.651 -5.109 -3.902
138 HG3 LYS 18 HG3 LYS 18 -3.161 -4.348 -2.389
139 HD2 LYS 18 HD2 LYS 18 -6.045 -4.266 -3.241
140 HD3 LYS 18 HD3 LYS 18 -5.397 -5.710 -2.462
141 HE2 LYS 18 HE2 LYS 18 -4.765 -4.459 -0.490
142 HE3 LYS 18 HE3 LYS 18 -5.148 -2.919 -1.285
143 HZ1 LYS 18 HZ1 LYS 18 -6.994 -3.671 0.099
144 HZ2 LYS 18 HZ2 LYS 18 -7.076 -5.127 -0.774
145 HZ3 LYS 18 HZ3 LYS 18 -7.435 -3.651 -1.538
146 H SER 19 H SER 19 -2.983 -0.350 -4.933
147 HA SER 19 HA SER 19 -0.215 -0.775 -5.562
148 HB2 SER 19 HB2 SER 19 -2.055 0.225 -6.994
149 HB3 SER 19 HB3 SER 19 -1.922 1.694 -6.033
150 HG SER 19 HG SER 19 -0.607 1.350 -8.108
151 H LYS 20 H LYS 20 -1.868 1.665 -3.550
152 HA LYS 20 HA LYS 20 0.451 3.243 -2.902
153 HB2 LYS 20 HB2 LYS 20 -2.206 2.741 -1.520
154 HB3 LYS 20 HB3 LYS 20 -1.074 4.001 -1.030
155 HG2 LYS 20 HG2 LYS 20 -1.669 4.000 -3.914
156 HG3 LYS 20 HG3 LYS 20 -3.072 4.327 -2.898
157 HD2 LYS 20 HD2 LYS 20 -2.295 6.464 -2.901
158 HD3 LYS 20 HD3 LYS 20 -1.169 5.872 -1.680
159 HE2 LYS 20 HE2 LYS 20 0.267 5.165 -3.805
160 HE3 LYS 20 HE3 LYS 20 -0.675 6.451 -4.584
161 HZ1 LYS 20 HZ1 LYS 20 0.881 6.696 -2.061
162 HZ2 LYS 20 HZ2 LYS 20 -0.105 7.916 -2.716
163 HZ3 LYS 20 HZ3 LYS 20 1.279 7.397 -3.553
164 H ILE 21 H ILE 21 -1.152 0.516 -1.214
165 HA ILE 21 HA ILE 21 0.611 0.483 1.063
166 HB ILE 21 HB ILE 21 -1.119 -1.636 -0.256
167 HG12 ILE 21 HG12 ILE 21 -1.758 -0.257 2.329
168 HG13 ILE 21 HG13 ILE 21 -2.008 0.632 0.826
169 HG21 ILE 21 HG21 ILE 21 0.137 -1.603 2.509
170 HG22 ILE 21 HG22 ILE 21 0.606 -2.668 1.184
171 HG23 ILE 21 HG23 ILE 21 -0.993 -2.818 1.911
172 HD11 ILE 21 HD11 ILE 21 -4.075 -0.446 1.175
173 HD12 ILE 21 HD12 ILE 21 -3.308 -1.934 1.728
174 HD13 ILE 21 HD13 ILE 21 -3.254 -1.496 0.020
175 H GLN 22 H GLN 22 0.787 -0.984 -2.143
176 HA GLN 22 HA GLN 22 2.868 -2.882 -1.708
177 HB2 GLN 22 HB2 GLN 22 1.387 -2.550 -3.734
178 HB3 GLN 22 HB3 GLN 22 2.383 -1.158 -4.159
179 HG2 GLN 22 HG2 GLN 22 4.238 -3.185 -3.668
180 HG3 GLN 22 HG3 GLN 22 2.930 -4.001 -4.525
181 HE21 GLN 22 HE21 GLN 22 2.092 -2.595 -6.527
182 HE22 GLN 22 HE22 GLN 22 3.314 -1.894 -7.474
183 H GLY 23 H GLY 23 3.059 0.567 -2.685
184 HA2 GLY 23 HA2 GLY 23 5.938 0.670 -2.753
185 HA3 GLY 23 HA3 GLY 23 4.868 2.069 -2.636
186 H LEU 24 H LEU 24 3.527 1.233 -0.210
187 HA LEU 24 HA LEU 24 5.303 2.303 1.783
188 HB2 LEU 24 HB2 LEU 24 2.600 1.812 1.478
189 HB3 LEU 24 HB3 LEU 24 3.055 0.617 2.691
190 HG LEU 24 HG LEU 24 2.366 2.738 3.748
191 HD11 LEU 24 HD11 LEU 24 4.085 2.782 5.322
192 HD12 LEU 24 HD12 LEU 24 5.346 2.609 4.101
193 HD13 LEU 24 HD13 LEU 24 4.358 1.219 4.550
194 HD21 LEU 24 HD21 LEU 24 3.486 4.797 3.349
195 HD22 LEU 24 HD22 LEU 24 3.211 4.121 1.744
196 HD23 LEU 24 HD23 LEU 24 4.806 4.006 2.488
197 H LEU 25 H LEU 25 4.280 -1.038 1.008
198 HA LEU 25 HA LEU 25 5.627 -2.365 3.162
199 HB2 LEU 25 HB2 LEU 25 3.964 -3.036 1.085
200 HB3 LEU 25 HB3 LEU 25 5.490 -3.716 0.523
201 HG LEU 25 HG LEU 25 4.220 -5.369 1.841
202 HD11 LEU 25 HD11 LEU 25 6.010 -6.086 3.237
203 HD12 LEU 25 HD12 LEU 25 6.565 -4.433 3.503
204 HD13 LEU 25 HD13 LEU 25 6.775 -5.190 1.924
205 HD21 LEU 25 HD21 LEU 25 3.564 -5.008 4.083
206 HD22 LEU 25 HD22 LEU 25 3.157 -3.493 3.279
207 HD23 LEU 25 HD23 LEU 25 4.618 -3.607 4.259
208 H GLN 26 H GLN 26 6.721 -1.349 -0.071
209 HA GLN 26 HA GLN 26 9.297 -2.632 -0.019
210 HB2 GLN 26 HB2 GLN 26 7.908 -1.533 -1.931
211 HB3 GLN 26 HB3 GLN 26 8.654 -0.025 -1.401
212 HG2 GLN 26 HG2 GLN 26 10.673 -2.071 -1.587
213 HG3 GLN 26 HG3 GLN 26 9.776 -1.997 -3.103
214 HE21 GLN 26 HE21 GLN 26 10.233 -0.246 -4.494
215 HE22 GLN 26 HE22 GLN 26 11.215 1.072 -4.069
216 H GLN 27 H GLN 27 8.131 0.526 1.136
217 HA GLN 27 HA GLN 27 10.790 1.507 1.851
218 HB2 GLN 27 HB2 GLN 27 7.925 2.341 2.342
219 HB3 GLN 27 HB3 GLN 27 9.269 3.217 3.075
220 HG2 GLN 27 HG2 GLN 27 10.255 3.509 0.786
221 HG3 GLN 27 HG3 GLN 27 8.799 2.777 0.113
222 HE21 GLN 27 HE21 GLN 27 6.784 4.012 0.239
223 HE22 GLN 27 HE22 GLN 27 6.788 5.665 0.622
224 H ALA 28 H ALA 28 8.174 -0.211 3.459
225 HA ALA 28 HA ALA 28 9.051 0.108 6.177
226 HB1 ALA 28 HB1 ALA 28 6.796 -0.625 5.410
227 HB2 ALA 28 HB2 ALA 28 7.496 -1.759 6.564
228 HB3 ALA 28 HB3 ALA 28 7.504 -2.137 4.841
229 H SER 29 H SER 29 10.004 -2.091 3.600
230 HA SER 29 HA SER 29 11.330 -4.081 5.187
231 HB2 SER 29 HB2 SER 29 12.229 -4.776 3.073
232 HB3 SER 29 HB3 SER 29 10.631 -4.124 2.729
233 HG SER 29 HG SER 29 11.519 -2.495 1.695
234 H LYS 30 H LYS 30 12.392 -0.936 3.925
235 HA LYS 30 HA LYS 30 15.205 -1.230 4.461
236 HB2 LYS 30 HB2 LYS 30 13.937 0.490 3.037
237 HB3 LYS 30 HB3 LYS 30 13.566 1.318 4.549
238 HG2 LYS 30 HG2 LYS 30 15.533 2.403 4.109
239 HG3 LYS 30 HG3 LYS 30 16.235 0.970 4.859
240 HD2 LYS 30 HD2 LYS 30 17.429 1.139 2.841
241 HD3 LYS 30 HD3 LYS 30 16.172 -0.038 2.457
242 HE2 LYS 30 HE2 LYS 30 15.092 2.575 1.980
243 HE3 LYS 30 HE3 LYS 30 16.665 2.467 1.166
244 HZ1 LYS 30 HZ1 LYS 30 16.023 0.404 0.160
245 HZ2 LYS 30 HZ2 LYS 30 14.811 1.547 -0.172
246 HZ3 LYS 30 HZ3 LYS 30 14.562 0.366 1.024
247 H GLN 31 H GLN 31 12.520 0.136 6.397
248 HA GLN 31 HA GLN 31 14.158 0.874 8.665
249 HB2 GLN 31 HB2 GLN 31 11.347 0.826 7.840
250 HB3 GLN 31 HB3 GLN 31 11.547 0.465 9.555
251 HG2 GLN 31 HG2 GLN 31 11.674 2.710 9.840
252 HG3 GLN 31 HG3 GLN 31 13.304 2.566 9.181
253 HE21 GLN 31 HE21 GLN 31 10.912 4.629 8.859
254 HE22 GLN 31 HE22 GLN 31 10.887 4.892 7.182
255 H ALA 32 H ALA 32 12.495 -2.102 7.713
256 HA ALA 32 HA ALA 32 12.617 -3.414 10.293
257 HB1 ALA 32 HB1 ALA 32 11.701 -5.208 9.108
258 HB2 ALA 32 HB2 ALA 32 12.641 -4.858 7.658
259 HB3 ALA 32 HB3 ALA 32 11.252 -3.854 8.072
260 H GLN 33 H GLN 33 14.869 -3.134 7.571
261 HA GLN 33 HA GLN 33 16.667 -5.236 8.538
262 HB2 GLN 33 HB2 GLN 33 16.167 -4.070 6.145
263 HB3 GLN 33 HB3 GLN 33 17.578 -3.132 6.638
264 HG2 GLN 33 HG2 GLN 33 18.660 -4.907 5.637
265 HG3 GLN 33 HG3 GLN 33 18.502 -5.565 7.265
266 HE21 GLN 33 HE21 GLN 33 17.947 -6.333 4.041
267 HE22 GLN 33 HE22 GLN 33 16.751 -7.518 4.254
268 H ASP 34 H ASP 34 16.264 -1.816 9.149
269 HA ASP 34 HA ASP 34 17.464 -0.310 10.500
270 HB2 ASP 34 HB2 ASP 34 17.104 -2.354 11.993
271 HB3 ASP 34 HB3 ASP 34 18.756 -2.824 11.596
272 H ILE 35 H ILE 35 18.543 -0.325 8.048
273 HA ILE 35 HA ILE 35 21.509 -0.579 8.466
274 HB ILE 35 HB ILE 35 19.887 -0.741 5.898
275 HG12 ILE 35 HG12 ILE 35 19.414 -2.636 7.443
276 HG13 ILE 35 HG13 ILE 35 20.282 -3.164 6.003
277 HG21 ILE 35 HG21 ILE 35 21.964 -0.295 5.060
278 HG22 ILE 35 HG22 ILE 35 22.246 -2.001 5.406
279 HG23 ILE 35 HG23 ILE 35 22.780 -0.770 6.550
280 HD11 ILE 35 HD11 ILE 35 21.421 -2.704 8.771
281 HD12 ILE 35 HD12 ILE 35 22.428 -2.944 7.343
282 HD13 ILE 35 HD13 ILE 35 21.342 -4.224 7.882
283 H GLN 36 H GLN 36 19.618 1.762 8.999
284 HA GLN 36 HA GLN 36 21.024 3.763 7.262
285 HB2 GLN 36 HB2 GLN 36 18.103 3.662 8.100
286 HB3 GLN 36 HB3 GLN 36 18.848 5.004 7.231
287 HG2 GLN 36 HG2 GLN 36 19.599 3.102 5.556
288 HG3 GLN 36 HG3 GLN 36 18.246 2.225 6.269
289 HE21 GLN 36 HE21 GLN 36 16.445 4.443 6.692
290 HE22 GLN 36 HE22 GLN 36 15.990 5.044 5.172
291 HA PRO 37 HA PRO 37 21.554 4.787 11.723
292 HB2 PRO 37 HB2 PRO 37 24.200 5.458 11.537
293 HB3 PRO 37 HB3 PRO 37 23.638 3.792 11.776
294 HG2 PRO 37 HG2 PRO 37 24.615 5.123 9.312
295 HG3 PRO 37 HG3 PRO 37 24.817 3.450 9.849
296 HD2 PRO 37 HD2 PRO 37 23.010 4.281 7.940
297 HD3 PRO 37 HD3 PRO 37 22.873 2.781 8.882
298 H ALA 38 H ALA 38 20.102 6.603 10.763
299 HA ALA 38 HA ALA 38 21.682 9.097 10.225
300 HB1 ALA 38 HB1 ALA 38 19.894 9.757 8.874
301 HB2 ALA 38 HB2 ALA 38 18.730 8.778 9.764
302 HB3 ALA 38 HB3 ALA 38 19.864 8.008 8.653
303 H MET 39 H MET 39 19.691 7.549 12.593
304 HA MET 39 HA MET 39 18.912 10.139 13.853
305 HB2 MET 39 HB2 MET 39 18.148 7.234 14.270
306 HB3 MET 39 HB3 MET 39 17.555 8.542 15.294
307 HG2 MET 39 HG2 MET 39 16.571 9.653 13.332
308 HG3 MET 39 HG3 MET 39 17.189 8.375 12.286
309 HE1 MET 39 HE1 MET 39 15.100 5.401 12.727
310 HE2 MET 39 HE2 MET 39 16.751 5.987 12.546
311 HE3 MET 39 HE3 MET 39 15.491 6.578 11.466
312 H GLN 40 H GLN 40 21.725 8.736 13.885
313 HA GLN 40 HA GLN 40 22.148 7.957 16.660
314 HB2 GLN 40 HB2 GLN 40 23.404 7.391 14.408
315 HB3 GLN 40 HB3 GLN 40 24.306 8.862 14.772
316 HG2 GLN 40 HG2 GLN 40 25.611 7.300 15.884
317 HG3 GLN 40 HG3 GLN 40 24.500 7.753 17.175
318 HE21 GLN 40 HE21 GLN 40 22.885 6.187 17.836
319 HE22 GLN 40 HE22 GLN 40 22.904 4.585 17.277
Start of MODEL 10
1 HA ALA 1 HA ALA 1 -27.968 7.585 1.236
2 HB1 ALA 1 HB1 ALA 1 -28.439 5.189 1.775
3 HB2 ALA 1 HB2 ALA 1 -30.150 5.484 1.468
4 HB3 ALA 1 HB3 ALA 1 -29.340 6.298 2.808
5 H SER 2 H SER 2 -26.687 6.330 -0.251
6 HA SER 2 HA SER 2 -28.004 5.827 -2.903
7 HB2 SER 2 HB2 SER 2 -25.544 7.171 -2.001
8 HB3 SER 2 HB3 SER 2 -25.283 6.053 -3.336
9 HG SER 2 HG SER 2 -26.037 8.392 -3.693
10 H ARG 3 H ARG 3 -27.908 3.742 -3.660
11 HA ARG 3 HA ARG 3 -26.654 1.658 -2.018
12 HB2 ARG 3 HB2 ARG 3 -28.291 1.754 -4.560
13 HB3 ARG 3 HB3 ARG 3 -27.665 0.238 -3.912
14 HG2 ARG 3 HG2 ARG 3 -29.241 2.137 -2.175
15 HG3 ARG 3 HG3 ARG 3 -30.054 0.955 -3.201
16 HD2 ARG 3 HD2 ARG 3 -27.814 0.007 -1.435
17 HD3 ARG 3 HD3 ARG 3 -29.408 0.307 -0.714
18 HE ARG 3 HE ARG 3 -29.201 -1.374 -3.176
19 HH11 ARG 3 HH11 ARG 3 -31.852 -1.112 -1.964
20 HH12 ARG 3 HH12 ARG 3 -31.955 -2.485 -0.914
21 HH21 ARG 3 HH21 ARG 3 -28.526 -3.066 -0.912
22 HH22 ARG 3 HH22 ARG 3 -30.063 -3.595 -0.316
23 H ALA 4 H ALA 4 -25.348 3.701 -4.330
24 HA ALA 4 HA ALA 4 -23.832 1.868 -5.973
25 HB1 ALA 4 HB1 ALA 4 -22.704 3.894 -6.667
26 HB2 ALA 4 HB2 ALA 4 -23.202 4.732 -5.197
27 HB3 ALA 4 HB3 ALA 4 -24.403 4.295 -6.414
28 H ALA 5 H ALA 5 -23.344 3.205 -2.752
29 HA ALA 5 HA ALA 5 -20.538 2.958 -2.449
30 HB1 ALA 5 HB1 ALA 5 -21.093 2.850 -0.051
31 HB2 ALA 5 HB2 ALA 5 -22.759 2.431 -0.449
32 HB3 ALA 5 HB3 ALA 5 -22.127 4.022 -0.869
33 H LEU 6 H LEU 6 -23.026 0.439 -2.475
34 HA LEU 6 HA LEU 6 -21.743 -1.694 -1.158
35 HB2 LEU 6 HB2 LEU 6 -23.746 -1.308 -3.307
36 HB3 LEU 6 HB3 LEU 6 -22.976 -2.895 -3.293
37 HG LEU 6 HG LEU 6 -23.467 -2.819 -0.717
38 HD11 LEU 6 HD11 LEU 6 -24.215 -0.510 -0.595
39 HD12 LEU 6 HD12 LEU 6 -25.587 -1.562 -0.254
40 HD13 LEU 6 HD13 LEU 6 -25.433 -0.799 -1.836
41 HD21 LEU 6 HD21 LEU 6 -25.688 -3.831 -1.136
42 HD22 LEU 6 HD22 LEU 6 -24.496 -4.402 -2.305
43 HD23 LEU 6 HD23 LEU 6 -25.674 -3.174 -2.773
44 H ILE 7 H ILE 7 -21.434 -0.773 -4.614
45 HA ILE 7 HA ILE 7 -19.408 -2.760 -5.216
46 HB ILE 7 HB ILE 7 -20.166 -0.145 -6.574
47 HG12 ILE 7 HG12 ILE 7 -22.098 -1.641 -6.351
48 HG13 ILE 7 HG13 ILE 7 -21.561 -1.616 -8.030
49 HG21 ILE 7 HG21 ILE 7 -18.035 -0.913 -7.412
50 HG22 ILE 7 HG22 ILE 7 -19.259 -1.318 -8.615
51 HG23 ILE 7 HG23 ILE 7 -18.628 -2.569 -7.545
52 HD11 ILE 7 HD11 ILE 7 -20.289 -3.715 -7.633
53 HD12 ILE 7 HD12 ILE 7 -22.014 -3.922 -7.332
54 HD13 ILE 7 HD13 ILE 7 -20.898 -3.751 -5.978
55 H GLU 8 H GLU 8 -19.357 0.621 -4.148
56 HA GLU 8 HA GLU 8 -16.580 1.179 -4.543
57 HB2 GLU 8 HB2 GLU 8 -18.756 2.566 -3.791
58 HB3 GLU 8 HB3 GLU 8 -18.067 2.277 -2.194
59 HG2 GLU 8 HG2 GLU 8 -15.837 3.034 -3.546
60 HG3 GLU 8 HG3 GLU 8 -17.060 3.971 -4.407
61 H GLU 9 H GLU 9 -18.317 -0.481 -1.933
62 HA GLU 9 HA GLU 9 -16.187 -0.534 0.001
63 HB2 GLU 9 HB2 GLU 9 -18.734 -0.991 0.188
64 HB3 GLU 9 HB3 GLU 9 -18.339 -2.626 -0.344
65 HG2 GLU 9 HG2 GLU 9 -16.665 -2.749 1.544
66 HG3 GLU 9 HG3 GLU 9 -17.298 -1.209 2.125
67 H GLY 10 H GLY 10 -16.717 -2.388 -2.924
68 HA2 GLY 10 HA2 GLY 10 -14.556 -4.276 -2.069
69 HA3 GLY 10 HA3 GLY 10 -15.846 -4.727 -3.176
70 H GLN 11 H GLN 11 -15.947 -2.834 -5.057
71 HA GLN 11 HA GLN 11 -13.606 -3.294 -6.656
72 HB2 GLN 11 HB2 GLN 11 -16.195 -2.469 -7.037
73 HB3 GLN 11 HB3 GLN 11 -15.309 -0.968 -7.311
74 HG2 GLN 11 HG2 GLN 11 -14.069 -3.315 -8.584
75 HG3 GLN 11 HG3 GLN 11 -15.681 -2.947 -9.197
76 HE21 GLN 11 HE21 GLN 11 -12.637 -2.393 -10.089
77 HE22 GLN 11 HE22 GLN 11 -12.742 -0.801 -10.664
78 H ARG 12 H ARG 12 -14.769 -0.211 -5.175
79 HA ARG 12 HA ARG 12 -12.409 1.277 -5.868
80 HB2 ARG 12 HB2 ARG 12 -14.873 1.605 -4.360
81 HB3 ARG 12 HB3 ARG 12 -13.528 2.411 -3.555
82 HG2 ARG 12 HG2 ARG 12 -14.074 2.739 -6.514
83 HG3 ARG 12 HG3 ARG 12 -14.783 3.802 -5.299
84 HD2 ARG 12 HD2 ARG 12 -12.549 4.456 -4.514
85 HD3 ARG 12 HD3 ARG 12 -11.799 3.333 -5.665
86 HE ARG 12 HE ARG 12 -12.571 4.737 -7.489
87 HH11 ARG 12 HH11 ARG 12 -11.341 6.837 -5.788
88 HH12 ARG 12 HH12 ARG 12 -12.601 8.018 -5.669
89 HH21 ARG 12 HH21 ARG 12 -15.098 5.837 -6.714
90 HH22 ARG 12 HH22 ARG 12 -14.739 7.448 -6.194
91 H ILE 13 H ILE 13 -13.144 -0.820 -3.105
92 HA ILE 13 HA ILE 13 -10.806 0.081 -1.569
93 HB ILE 13 HB ILE 13 -12.915 -2.068 -1.301
94 HG12 ILE 13 HG12 ILE 13 -12.158 0.476 0.158
95 HG13 ILE 13 HG13 ILE 13 -13.679 0.101 -0.650
96 HG21 ILE 13 HG21 ILE 13 -11.869 -2.606 0.918
97 HG22 ILE 13 HG22 ILE 13 -10.477 -1.626 0.456
98 HG23 ILE 13 HG23 ILE 13 -10.869 -3.087 -0.453
99 HD11 ILE 13 HD11 ILE 13 -12.693 -0.757 2.034
100 HD12 ILE 13 HD12 ILE 13 -13.681 -1.904 1.130
101 HD13 ILE 13 HD13 ILE 13 -14.321 -0.309 1.526
102 H ALA 14 H ALA 14 -11.672 -2.772 -3.567
103 HA ALA 14 HA ALA 14 -9.421 -4.407 -3.135
104 HB1 ALA 14 HB1 ALA 14 -11.056 -3.786 -5.611
105 HB2 ALA 14 HB2 ALA 14 -11.277 -5.127 -4.487
106 HB3 ALA 14 HB3 ALA 14 -9.873 -5.093 -5.554
107 H GLU 15 H GLU 15 -9.757 -1.822 -5.603
108 HA GLU 15 HA GLU 15 -7.067 -1.963 -6.590
109 HB2 GLU 15 HB2 GLU 15 -9.393 -0.096 -6.655
110 HB3 GLU 15 HB3 GLU 15 -7.825 0.594 -7.074
111 HG2 GLU 15 HG2 GLU 15 -8.861 -0.226 -9.110
112 HG3 GLU 15 HG3 GLU 15 -7.505 -1.281 -8.715
113 H MET 16 H MET 16 -8.576 0.110 -4.086
114 HA MET 16 HA MET 16 -6.274 1.654 -3.397
115 HB2 MET 16 HB2 MET 16 -8.851 1.686 -2.718
116 HB3 MET 16 HB3 MET 16 -8.265 0.754 -1.340
117 HG2 MET 16 HG2 MET 16 -7.953 2.863 -0.476
118 HG3 MET 16 HG3 MET 16 -6.415 2.699 -1.323
119 HE1 MET 16 HE1 MET 16 -10.164 4.939 -2.767
120 HE2 MET 16 HE2 MET 16 -9.912 4.249 -1.166
121 HE3 MET 16 HE3 MET 16 -10.095 3.184 -2.557
122 H LEU 17 H LEU 17 -7.393 -1.542 -2.299
123 HA LEU 17 HA LEU 17 -5.529 -1.962 -0.179
124 HB2 LEU 17 HB2 LEU 17 -7.624 -3.301 -1.376
125 HB3 LEU 17 HB3 LEU 17 -6.242 -4.297 -1.830
126 HG LEU 17 HG LEU 17 -6.546 -3.369 1.013
127 HD11 LEU 17 HD11 LEU 17 -7.780 -5.901 -0.103
128 HD12 LEU 17 HD12 LEU 17 -8.705 -4.438 0.238
129 HD13 LEU 17 HD13 LEU 17 -7.892 -5.294 1.549
130 HD21 LEU 17 HD21 LEU 17 -4.449 -4.466 0.213
131 HD22 LEU 17 HD22 LEU 17 -5.396 -5.882 -0.244
132 HD23 LEU 17 HD23 LEU 17 -5.273 -5.414 1.451
133 H LYS 18 H LYS 18 -5.326 -2.717 -3.650
134 HA LYS 18 HA LYS 18 -2.776 -4.002 -3.647
135 HB2 LYS 18 HB2 LYS 18 -4.632 -2.706 -5.556
136 HB3 LYS 18 HB3 LYS 18 -2.948 -2.733 -6.078
137 HG2 LYS 18 HG2 LYS 18 -3.739 -4.784 -6.881
138 HG3 LYS 18 HG3 LYS 18 -3.022 -5.242 -5.337
139 HD2 LYS 18 HD2 LYS 18 -5.484 -4.663 -4.457
140 HD3 LYS 18 HD3 LYS 18 -5.900 -5.079 -6.119
141 HE2 LYS 18 HE2 LYS 18 -6.000 -7.194 -5.148
142 HE3 LYS 18 HE3 LYS 18 -4.283 -7.160 -5.598
143 HZ1 LYS 18 HZ1 LYS 18 -3.821 -6.153 -3.401
144 HZ2 LYS 18 HZ2 LYS 18 -4.450 -7.727 -3.285
145 HZ3 LYS 18 HZ3 LYS 18 -5.446 -6.387 -2.972
146 H SER 19 H SER 19 -3.656 -0.558 -4.093
147 HA SER 19 HA SER 19 -0.998 0.453 -4.475
148 HB2 SER 19 HB2 SER 19 -3.487 1.452 -4.645
149 HB3 SER 19 HB3 SER 19 -3.083 2.046 -3.037
150 HG SER 19 HG SER 19 -2.496 3.452 -4.832
151 H LYS 20 H LYS 20 -2.927 -0.184 -1.553
152 HA LYS 20 HA LYS 20 -1.160 1.050 0.351
153 HB2 LYS 20 HB2 LYS 20 -3.636 -0.139 0.347
154 HB3 LYS 20 HB3 LYS 20 -2.667 -1.362 1.171
155 HG2 LYS 20 HG2 LYS 20 -2.255 1.468 2.010
156 HG3 LYS 20 HG3 LYS 20 -3.776 0.709 2.481
157 HD2 LYS 20 HD2 LYS 20 -2.179 -1.290 3.185
158 HD3 LYS 20 HD3 LYS 20 -0.975 -0.004 3.274
159 HE2 LYS 20 HE2 LYS 20 -1.876 0.010 5.454
160 HE3 LYS 20 HE3 LYS 20 -2.847 1.260 4.652
161 HZ1 LYS 20 HZ1 LYS 20 -3.591 -1.619 4.783
162 HZ2 LYS 20 HZ2 LYS 20 -4.531 -0.354 4.145
163 HZ3 LYS 20 HZ3 LYS 20 -4.217 -0.426 5.813
164 H ILE 21 H ILE 21 -1.299 -2.238 -1.037
165 HA ILE 21 HA ILE 21 0.717 -3.411 0.654
166 HB ILE 21 HB ILE 21 -0.278 -4.017 -2.150
167 HG12 ILE 21 HG12 ILE 21 -1.950 -4.176 -0.305
168 HG13 ILE 21 HG13 ILE 21 -1.609 -5.745 -1.030
169 HG21 ILE 21 HG21 ILE 21 0.653 -6.381 -1.415
170 HG22 ILE 21 HG22 ILE 21 1.718 -5.412 -0.395
171 HG23 ILE 21 HG23 ILE 21 1.730 -5.191 -2.145
172 HD11 ILE 21 HD11 ILE 21 -0.907 -6.558 0.947
173 HD12 ILE 21 HD12 ILE 21 -1.401 -5.043 1.700
174 HD13 ILE 21 HD13 ILE 21 0.252 -5.241 1.122
175 H GLN 22 H GLN 22 0.855 -1.661 -2.422
176 HA GLN 22 HA GLN 22 3.644 -2.077 -2.993
177 HB2 GLN 22 HB2 GLN 22 1.729 -1.193 -4.471
178 HB3 GLN 22 HB3 GLN 22 1.977 0.361 -3.676
179 HG2 GLN 22 HG2 GLN 22 3.382 0.593 -5.515
180 HG3 GLN 22 HG3 GLN 22 4.508 -0.063 -4.327
181 HE21 GLN 22 HE21 GLN 22 2.349 -1.078 -7.023
182 HE22 GLN 22 HE22 GLN 22 3.251 -2.460 -7.422
183 H GLY 23 H GLY 23 1.901 0.509 -1.236
184 HA2 GLY 23 HA2 GLY 23 4.203 2.114 -0.639
185 HA3 GLY 23 HA3 GLY 23 2.681 2.146 0.257
186 H LEU 24 H LEU 24 2.645 -0.598 1.059
187 HA LEU 24 HA LEU 24 4.151 -0.544 3.479
188 HB2 LEU 24 HB2 LEU 24 2.693 -2.598 1.837
189 HB3 LEU 24 HB3 LEU 24 3.641 -3.138 3.222
190 HG LEU 24 HG LEU 24 1.648 -0.883 3.462
191 HD11 LEU 24 HD11 LEU 24 1.007 -3.720 4.230
192 HD12 LEU 24 HD12 LEU 24 0.709 -3.166 2.582
193 HD13 LEU 24 HD13 LEU 24 -0.094 -2.374 3.938
194 HD21 LEU 24 HD21 LEU 24 2.692 -2.882 5.491
195 HD22 LEU 24 HD22 LEU 24 1.755 -1.424 5.819
196 HD23 LEU 24 HD23 LEU 24 3.411 -1.294 5.229
197 H LEU 25 H LEU 25 4.856 -2.064 0.322
198 HA LEU 25 HA LEU 25 7.263 -3.431 1.056
199 HB2 LEU 25 HB2 LEU 25 5.675 -3.102 -1.186
200 HB3 LEU 25 HB3 LEU 25 7.140 -2.235 -1.645
201 HG LEU 25 HG LEU 25 7.270 -4.607 -2.309
202 HD11 LEU 25 HD11 LEU 25 9.121 -4.072 0.029
203 HD12 LEU 25 HD12 LEU 25 9.314 -3.326 -1.558
204 HD13 LEU 25 HD13 LEU 25 9.447 -5.077 -1.384
205 HD21 LEU 25 HD21 LEU 25 5.791 -5.320 -0.310
206 HD22 LEU 25 HD22 LEU 25 7.285 -5.316 0.627
207 HD23 LEU 25 HD23 LEU 25 7.117 -6.392 -0.760
208 H GLN 26 H GLN 26 6.698 -0.130 -0.193
209 HA GLN 26 HA GLN 26 9.480 0.661 -0.246
210 HB2 GLN 26 HB2 GLN 26 7.363 1.647 -1.392
211 HB3 GLN 26 HB3 GLN 26 7.093 2.477 0.141
212 HG2 GLN 26 HG2 GLN 26 9.814 2.884 -0.444
213 HG3 GLN 26 HG3 GLN 26 8.971 3.118 -1.976
214 HE21 GLN 26 HE21 GLN 26 9.362 4.394 1.294
215 HE22 GLN 26 HE22 GLN 26 8.458 5.810 1.042
216 H GLN 27 H GLN 27 6.870 0.941 2.165
217 HA GLN 27 HA GLN 27 8.231 2.559 4.089
218 HB2 GLN 27 HB2 GLN 27 5.768 1.918 3.899
219 HB3 GLN 27 HB3 GLN 27 6.208 0.363 4.605
220 HG2 GLN 27 HG2 GLN 27 7.203 1.618 6.556
221 HG3 GLN 27 HG3 GLN 27 6.525 3.098 5.873
222 HE21 GLN 27 HE21 GLN 27 5.832 0.546 8.003
223 HE22 GLN 27 HE22 GLN 27 4.143 0.716 8.048
224 H ALA 28 H ALA 28 8.268 -0.923 3.488
225 HA ALA 28 HA ALA 28 9.641 -1.698 5.907
226 HB1 ALA 28 HB1 ALA 28 9.481 -2.994 3.168
227 HB2 ALA 28 HB2 ALA 28 8.301 -3.197 4.462
228 HB3 ALA 28 HB3 ALA 28 9.942 -3.812 4.660
229 H SER 29 H SER 29 10.722 -0.464 2.803
230 HA SER 29 HA SER 29 13.450 -1.287 2.820
231 HB2 SER 29 HB2 SER 29 11.745 0.268 1.265
232 HB3 SER 29 HB3 SER 29 12.945 1.428 1.827
233 HG SER 29 HG SER 29 13.186 -0.693 0.091
234 H LYS 30 H LYS 30 11.891 1.604 4.242
235 HA LYS 30 HA LYS 30 14.233 2.897 5.226
236 HB2 LYS 30 HB2 LYS 30 11.303 2.867 5.783
237 HB3 LYS 30 HB3 LYS 30 12.332 3.597 7.015
238 HG2 LYS 30 HG2 LYS 30 13.076 5.283 5.593
239 HG3 LYS 30 HG3 LYS 30 12.759 4.337 4.138
240 HD2 LYS 30 HD2 LYS 30 10.521 4.887 4.096
241 HD3 LYS 30 HD3 LYS 30 10.419 5.046 5.850
242 HE2 LYS 30 HE2 LYS 30 11.656 7.180 5.747
243 HE3 LYS 30 HE3 LYS 30 11.786 7.023 3.985
244 HZ1 LYS 30 HZ1 LYS 30 9.858 8.358 4.579
245 HZ2 LYS 30 HZ2 LYS 30 9.251 7.098 5.545
246 HZ3 LYS 30 HZ3 LYS 30 9.365 6.903 3.859
247 H GLN 31 H GLN 31 12.207 0.323 6.641
248 HA GLN 31 HA GLN 31 13.445 0.259 9.235
249 HB2 GLN 31 HB2 GLN 31 11.283 -0.864 8.140
250 HB3 GLN 31 HB3 GLN 31 12.397 -2.209 7.892
251 HG2 GLN 31 HG2 GLN 31 11.296 -2.511 10.038
252 HG3 GLN 31 HG3 GLN 31 12.985 -2.097 10.329
253 HE21 GLN 31 HE21 GLN 31 9.928 -0.240 9.749
254 HE22 GLN 31 HE22 GLN 31 10.196 0.863 11.010
255 H ALA 32 H ALA 32 14.163 -1.437 6.181
256 HA ALA 32 HA ALA 32 16.339 -3.037 7.267
257 HB1 ALA 32 HB1 ALA 32 15.085 -3.738 5.310
258 HB2 ALA 32 HB2 ALA 32 16.739 -3.409 4.794
259 HB3 ALA 32 HB3 ALA 32 15.464 -2.233 4.473
260 H GLN 33 H GLN 33 16.056 0.182 5.856
261 HA GLN 33 HA GLN 33 19.008 0.476 5.654
262 HB2 GLN 33 HB2 GLN 33 16.588 2.076 4.795
263 HB3 GLN 33 HB3 GLN 33 18.226 2.714 4.657
264 HG2 GLN 33 HG2 GLN 33 18.882 0.927 3.178
265 HG3 GLN 33 HG3 GLN 33 17.375 0.059 3.469
266 HE21 GLN 33 HE21 GLN 33 18.007 3.536 2.673
267 HE22 GLN 33 HE22 GLN 33 16.988 3.553 1.315
268 H ASP 34 H ASP 34 17.601 0.316 8.322
269 HA ASP 34 HA ASP 34 17.335 2.895 9.533
270 HB2 ASP 34 HB2 ASP 34 16.553 0.685 10.421
271 HB3 ASP 34 HB3 ASP 34 18.232 0.259 10.752
272 H ILE 35 H ILE 35 20.145 0.690 9.301
273 HA ILE 35 HA ILE 35 21.896 2.884 10.349
274 HB ILE 35 HB ILE 35 23.470 1.019 10.820
275 HG12 ILE 35 HG12 ILE 35 21.327 -0.963 10.115
276 HG13 ILE 35 HG13 ILE 35 22.366 -0.349 8.828
277 HG21 ILE 35 HG21 ILE 35 20.670 0.415 11.818
278 HG22 ILE 35 HG22 ILE 35 21.710 1.680 12.473
279 HG23 ILE 35 HG23 ILE 35 22.186 -0.012 12.610
280 HD11 ILE 35 HD11 ILE 35 23.306 -2.411 9.807
281 HD12 ILE 35 HD12 ILE 35 23.326 -1.648 11.397
282 HD13 ILE 35 HD13 ILE 35 24.363 -1.033 10.110
283 H GLN 36 H GLN 36 20.966 2.986 7.620
284 HA GLN 36 HA GLN 36 23.213 2.008 5.949
285 HB2 GLN 36 HB2 GLN 36 20.419 2.878 5.640
286 HB3 GLN 36 HB3 GLN 36 21.479 3.468 4.361
287 HG2 GLN 36 HG2 GLN 36 21.793 0.613 5.152
288 HG3 GLN 36 HG3 GLN 36 20.332 1.039 4.261
289 HE21 GLN 36 HE21 GLN 36 23.607 0.211 3.862
290 HE22 GLN 36 HE22 GLN 36 23.800 0.747 2.264
291 HA PRO 37 HA PRO 37 25.205 5.975 6.320
292 HB2 PRO 37 HB2 PRO 37 27.156 5.545 4.449
293 HB3 PRO 37 HB3 PRO 37 27.208 4.841 6.077
294 HG2 PRO 37 HG2 PRO 37 26.406 3.589 3.500
295 HG3 PRO 37 HG3 PRO 37 27.321 2.904 4.851
296 HD2 PRO 37 HD2 PRO 37 24.680 2.392 4.405
297 HD3 PRO 37 HD3 PRO 37 25.434 2.342 6.014
298 H ALA 38 H ALA 38 25.900 7.747 4.683
299 HA ALA 38 HA ALA 38 23.845 7.900 2.512
300 HB1 ALA 38 HB1 ALA 38 23.707 9.621 4.204
301 HB2 ALA 38 HB2 ALA 38 24.357 10.371 2.746
302 HB3 ALA 38 HB3 ALA 38 25.435 9.954 4.077
303 H MET 39 H MET 39 26.748 6.679 2.480
304 HA MET 39 HA MET 39 28.118 8.410 0.517
305 HB2 MET 39 HB2 MET 39 28.665 5.927 2.095
306 HB3 MET 39 HB3 MET 39 29.608 6.185 0.628
307 HG2 MET 39 HG2 MET 39 30.935 7.326 2.138
308 HG3 MET 39 HG3 MET 39 29.861 8.635 1.647
309 HE1 MET 39 HE1 MET 39 31.266 6.588 4.520
310 HE2 MET 39 HE2 MET 39 29.983 5.539 3.923
311 HE3 MET 39 HE3 MET 39 29.865 6.230 5.540
312 H GLN 40 H GLN 40 26.453 5.252 0.581
313 HA GLN 40 HA GLN 40 25.566 3.937 -1.160
314 HB2 GLN 40 HB2 GLN 40 24.910 6.513 -1.638
315 HB3 GLN 40 HB3 GLN 40 25.867 6.195 -3.085
316 HG2 GLN 40 HG2 GLN 40 24.264 3.921 -2.810
317 HG3 GLN 40 HG3 GLN 40 23.191 5.261 -2.403
318 HE21 GLN 40 HE21 GLN 40 25.649 4.390 -4.911
319 HE22 GLN 40 HE22 GLN 40 24.820 5.150 -6.185
Start of MODEL 11
1 HA ALA 1 HA ALA 1 -28.052 3.563 -3.187
2 HB1 ALA 1 HB1 ALA 1 -28.447 4.213 -0.789
3 HB2 ALA 1 HB2 ALA 1 -30.133 4.529 -1.198
4 HB3 ALA 1 HB3 ALA 1 -28.851 5.494 -1.932
5 H SER 2 H SER 2 -27.417 1.533 -2.530
6 HA SER 2 HA SER 2 -29.221 -0.193 -0.949
7 HB2 SER 2 HB2 SER 2 -29.289 -1.932 -2.678
8 HB3 SER 2 HB3 SER 2 -29.916 -0.426 -3.342
9 HG SER 2 HG SER 2 -28.402 -1.413 -4.745
10 H ARG 3 H ARG 3 -28.044 -2.405 -0.605
11 HA ARG 3 HA ARG 3 -25.463 -1.986 0.524
12 HB2 ARG 3 HB2 ARG 3 -25.461 -4.443 0.734
13 HB3 ARG 3 HB3 ARG 3 -27.054 -3.797 1.119
14 HG2 ARG 3 HG2 ARG 3 -27.791 -4.315 -1.210
15 HG3 ARG 3 HG3 ARG 3 -26.214 -5.041 -1.520
16 HD2 ARG 3 HD2 ARG 3 -27.538 -6.907 -0.911
17 HD3 ARG 3 HD3 ARG 3 -26.751 -6.481 0.620
18 HE ARG 3 HE ARG 3 -29.084 -4.914 0.505
19 HH11 ARG 3 HH11 ARG 3 -28.713 -6.717 2.775
20 HH12 ARG 3 HH12 ARG 3 -29.948 -7.911 2.553
21 HH21 ARG 3 HH21 ARG 3 -30.478 -7.119 -0.791
22 HH22 ARG 3 HH22 ARG 3 -30.949 -8.141 0.526
23 H ALA 4 H ALA 4 -26.416 -2.828 -2.760
24 HA ALA 4 HA ALA 4 -23.940 -3.900 -3.720
25 HB1 ALA 4 HB1 ALA 4 -26.258 -3.871 -4.795
26 HB2 ALA 4 HB2 ALA 4 -24.921 -3.491 -5.879
27 HB3 ALA 4 HB3 ALA 4 -25.933 -2.196 -5.241
28 H ALA 5 H ALA 5 -25.114 -0.561 -3.343
29 HA ALA 5 HA ALA 5 -23.036 0.790 -4.773
30 HB1 ALA 5 HB1 ALA 5 -23.763 2.708 -3.326
31 HB2 ALA 5 HB2 ALA 5 -24.707 1.574 -2.359
32 HB3 ALA 5 HB3 ALA 5 -25.122 1.848 -4.051
33 H LEU 6 H LEU 6 -23.272 -0.243 -1.354
34 HA LEU 6 HA LEU 6 -20.789 0.905 -0.466
35 HB2 LEU 6 HB2 LEU 6 -22.938 -0.410 0.642
36 HB3 LEU 6 HB3 LEU 6 -21.674 -1.633 0.766
37 HG LEU 6 HG LEU 6 -21.457 1.227 1.764
38 HD11 LEU 6 HD11 LEU 6 -21.425 0.121 4.007
39 HD12 LEU 6 HD12 LEU 6 -21.796 -1.414 3.221
40 HD13 LEU 6 HD13 LEU 6 -22.960 -0.090 3.163
41 HD21 LEU 6 HD21 LEU 6 -19.559 -1.135 1.789
42 HD22 LEU 6 HD22 LEU 6 -19.373 0.240 2.878
43 HD23 LEU 6 HD23 LEU 6 -19.271 0.477 1.134
44 H ILE 7 H ILE 7 -21.592 -2.184 -2.030
45 HA ILE 7 HA ILE 7 -19.006 -3.432 -1.627
46 HB ILE 7 HB ILE 7 -21.217 -3.857 -3.673
47 HG12 ILE 7 HG12 ILE 7 -20.647 -5.519 -1.213
48 HG13 ILE 7 HG13 ILE 7 -21.683 -4.094 -1.128
49 HG21 ILE 7 HG21 ILE 7 -18.842 -5.571 -2.888
50 HG22 ILE 7 HG22 ILE 7 -19.190 -4.900 -4.482
51 HG23 ILE 7 HG23 ILE 7 -20.217 -6.170 -3.816
52 HD11 ILE 7 HD11 ILE 7 -22.746 -5.307 -3.306
53 HD12 ILE 7 HD12 ILE 7 -23.319 -5.599 -1.664
54 HD13 ILE 7 HD13 ILE 7 -22.183 -6.721 -2.416
55 H GLU 8 H GLU 8 -20.393 -1.353 -4.153
56 HA GLU 8 HA GLU 8 -18.272 -1.670 -6.083
57 HB2 GLU 8 HB2 GLU 8 -20.610 -0.843 -6.478
58 HB3 GLU 8 HB3 GLU 8 -20.188 0.642 -5.629
59 HG2 GLU 8 HG2 GLU 8 -20.016 0.792 -8.148
60 HG3 GLU 8 HG3 GLU 8 -18.537 1.214 -7.290
61 H GLU 9 H GLU 9 -18.899 0.877 -3.614
62 HA GLU 9 HA GLU 9 -16.594 2.459 -4.241
63 HB2 GLU 9 HB2 GLU 9 -17.046 3.491 -2.051
64 HB3 GLU 9 HB3 GLU 9 -18.549 3.219 -2.927
65 HG2 GLU 9 HG2 GLU 9 -19.310 1.728 -1.393
66 HG3 GLU 9 HG3 GLU 9 -17.735 0.960 -1.217
67 H GLY 10 H GLY 10 -16.978 -0.420 -2.214
68 HA2 GLY 10 HA2 GLY 10 -14.388 -0.199 -0.920
69 HA3 GLY 10 HA3 GLY 10 -15.394 -1.648 -0.973
70 H GLN 11 H GLN 11 -15.632 -1.820 -3.828
71 HA GLN 11 HA GLN 11 -13.360 -3.368 -4.541
72 HB2 GLN 11 HB2 GLN 11 -15.816 -2.343 -5.712
73 HB3 GLN 11 HB3 GLN 11 -14.509 -2.299 -6.896
74 HG2 GLN 11 HG2 GLN 11 -14.520 -4.543 -7.116
75 HG3 GLN 11 HG3 GLN 11 -14.474 -4.779 -5.370
76 HE21 GLN 11 HE21 GLN 11 -16.942 -3.427 -7.666
77 HE22 GLN 11 HE22 GLN 11 -18.220 -4.358 -7.050
78 H ARG 12 H ARG 12 -14.180 0.009 -5.398
79 HA ARG 12 HA ARG 12 -11.782 0.561 -6.889
80 HB2 ARG 12 HB2 ARG 12 -13.786 2.268 -5.382
81 HB3 ARG 12 HB3 ARG 12 -12.515 2.947 -6.400
82 HG2 ARG 12 HG2 ARG 12 -13.627 2.437 -8.304
83 HG3 ARG 12 HG3 ARG 12 -13.997 0.807 -7.741
84 HD2 ARG 12 HD2 ARG 12 -16.149 1.662 -7.749
85 HD3 ARG 12 HD3 ARG 12 -15.664 2.210 -6.132
86 HE ARG 12 HE ARG 12 -16.008 3.921 -8.468
87 HH11 ARG 12 HH11 ARG 12 -13.223 4.535 -7.840
88 HH12 ARG 12 HH12 ARG 12 -13.336 5.717 -6.580
89 HH21 ARG 12 HH21 ARG 12 -16.647 4.974 -5.828
90 HH22 ARG 12 HH22 ARG 12 -15.284 5.969 -5.437
91 H ILE 13 H ILE 13 -12.645 1.059 -3.442
92 HA ILE 13 HA ILE 13 -10.193 2.364 -2.675
93 HB ILE 13 HB ILE 13 -12.303 0.731 -1.229
94 HG12 ILE 13 HG12 ILE 13 -12.924 2.970 -2.171
95 HG13 ILE 13 HG13 ILE 13 -13.042 2.908 -0.414
96 HG21 ILE 13 HG21 ILE 13 -9.839 2.100 -0.137
97 HG22 ILE 13 HG22 ILE 13 -10.398 0.454 0.161
98 HG23 ILE 13 HG23 ILE 13 -11.266 1.819 0.861
99 HD11 ILE 13 HD11 ILE 13 -11.925 4.987 -1.229
100 HD12 ILE 13 HD12 ILE 13 -10.653 3.992 -1.937
101 HD13 ILE 13 HD13 ILE 13 -10.881 4.019 -0.188
102 H ALA 14 H ALA 14 -11.223 -1.060 -2.686
103 HA ALA 14 HA ALA 14 -8.893 -2.211 -1.502
104 HB1 ALA 14 HB1 ALA 14 -10.799 -3.256 -3.626
105 HB2 ALA 14 HB2 ALA 14 -11.039 -3.367 -1.883
106 HB3 ALA 14 HB3 ALA 14 -9.725 -4.259 -2.650
107 H GLU 15 H GLU 15 -9.630 -1.364 -4.894
108 HA GLU 15 HA GLU 15 -7.300 -2.509 -6.112
109 HB2 GLU 15 HB2 GLU 15 -9.422 -0.528 -6.725
110 HB3 GLU 15 HB3 GLU 15 -7.933 -0.323 -7.646
111 HG2 GLU 15 HG2 GLU 15 -8.289 -2.203 -8.863
112 HG3 GLU 15 HG3 GLU 15 -8.808 -3.124 -7.453
113 H MET 16 H MET 16 -7.945 0.845 -5.017
114 HA MET 16 HA MET 16 -5.310 1.872 -5.524
115 HB2 MET 16 HB2 MET 16 -7.806 2.638 -4.146
116 HB3 MET 16 HB3 MET 16 -6.358 3.381 -3.467
117 HG2 MET 16 HG2 MET 16 -6.894 4.905 -5.143
118 HG3 MET 16 HG3 MET 16 -5.771 3.846 -5.996
119 HE1 MET 16 HE1 MET 16 -8.040 4.396 -8.925
120 HE2 MET 16 HE2 MET 16 -6.452 4.532 -8.176
121 HE3 MET 16 HE3 MET 16 -7.734 5.645 -7.710
122 H LEU 17 H LEU 17 -6.758 0.263 -2.700
123 HA LEU 17 HA LEU 17 -4.587 0.763 -0.870
124 HB2 LEU 17 HB2 LEU 17 -7.005 0.043 -0.420
125 HB3 LEU 17 HB3 LEU 17 -6.499 -1.582 -0.882
126 HG LEU 17 HG LEU 17 -4.602 -1.261 0.859
127 HD11 LEU 17 HD11 LEU 17 -5.375 0.273 2.740
128 HD12 LEU 17 HD12 LEU 17 -6.526 0.958 1.593
129 HD13 LEU 17 HD13 LEU 17 -4.794 1.090 1.289
130 HD21 LEU 17 HD21 LEU 17 -7.518 -1.747 1.357
131 HD22 LEU 17 HD22 LEU 17 -6.429 -1.678 2.743
132 HD23 LEU 17 HD23 LEU 17 -6.161 -2.869 1.470
133 H LYS 18 H LYS 18 -5.200 -1.739 -3.289
134 HA LYS 18 HA LYS 18 -3.277 -3.678 -2.485
135 HB2 LYS 18 HB2 LYS 18 -5.098 -3.778 -4.282
136 HB3 LYS 18 HB3 LYS 18 -3.981 -2.902 -5.330
137 HG2 LYS 18 HG2 LYS 18 -3.713 -5.267 -5.773
138 HG3 LYS 18 HG3 LYS 18 -2.279 -4.712 -4.908
139 HD2 LYS 18 HD2 LYS 18 -2.921 -5.753 -2.908
140 HD3 LYS 18 HD3 LYS 18 -4.620 -5.818 -3.374
141 HE2 LYS 18 HE2 LYS 18 -3.938 -8.054 -3.676
142 HE3 LYS 18 HE3 LYS 18 -3.737 -7.387 -5.308
143 HZ1 LYS 18 HZ1 LYS 18 -1.558 -7.231 -3.307
144 HZ2 LYS 18 HZ2 LYS 18 -1.458 -7.098 -4.999
145 HZ3 LYS 18 HZ3 LYS 18 -1.751 -8.609 -4.278
146 H SER 19 H SER 19 -2.914 -0.899 -4.736
147 HA SER 19 HA SER 19 -0.064 -1.325 -5.134
148 HB2 SER 19 HB2 SER 19 -0.277 1.021 -6.104
149 HB3 SER 19 HB3 SER 19 -1.369 -0.171 -6.800
150 HG SER 19 HG SER 19 -2.516 1.694 -6.283
151 H LYS 20 H LYS 20 -2.033 0.608 -2.905
152 HA LYS 20 HA LYS 20 0.055 2.230 -1.787
153 HB2 LYS 20 HB2 LYS 20 -2.732 1.697 -1.442
154 HB3 LYS 20 HB3 LYS 20 -1.969 1.560 0.141
155 HG2 LYS 20 HG2 LYS 20 -0.799 3.782 -0.420
156 HG3 LYS 20 HG3 LYS 20 -1.969 3.928 -1.733
157 HD2 LYS 20 HD2 LYS 20 -3.157 4.997 -0.069
158 HD3 LYS 20 HD3 LYS 20 -3.683 3.340 0.231
159 HE2 LYS 20 HE2 LYS 20 -1.694 3.158 1.853
160 HE3 LYS 20 HE3 LYS 20 -1.576 4.924 1.727
161 HZ1 LYS 20 HZ1 LYS 20 -3.952 5.058 2.281
162 HZ2 LYS 20 HZ2 LYS 20 -3.052 4.341 3.532
163 HZ3 LYS 20 HZ3 LYS 20 -3.996 3.374 2.500
164 H ILE 21 H ILE 21 -1.355 -0.883 -0.686
165 HA ILE 21 HA ILE 21 0.337 -1.236 1.596
166 HB ILE 21 HB ILE 21 -1.189 -3.113 -0.226
167 HG12 ILE 21 HG12 ILE 21 -2.511 -1.505 1.124
168 HG13 ILE 21 HG13 ILE 21 -2.783 -3.164 1.650
169 HG21 ILE 21 HG21 ILE 21 0.337 -4.619 0.701
170 HG22 ILE 21 HG22 ILE 21 -0.961 -4.652 1.895
171 HG23 ILE 21 HG23 ILE 21 0.491 -3.698 2.198
172 HD11 ILE 21 HD11 ILE 21 -1.134 -1.021 2.994
173 HD12 ILE 21 HD12 ILE 21 -0.910 -2.728 3.377
174 HD13 ILE 21 HD13 ILE 21 -2.469 -1.956 3.665
175 H GLN 22 H GLN 22 0.780 -2.042 -1.819
176 HA GLN 22 HA GLN 22 3.122 -3.695 -1.522
177 HB2 GLN 22 HB2 GLN 22 1.462 -3.208 -3.517
178 HB3 GLN 22 HB3 GLN 22 2.601 -1.916 -3.893
179 HG2 GLN 22 HG2 GLN 22 4.202 -4.163 -3.358
180 HG3 GLN 22 HG3 GLN 22 2.867 -4.770 -4.339
181 HE21 GLN 22 HE21 GLN 22 5.469 -2.308 -4.295
182 HE22 GLN 22 HE22 GLN 22 5.509 -2.096 -5.979
183 H GLY 23 H GLY 23 2.700 -0.186 -2.120
184 HA2 GLY 23 HA2 GLY 23 5.544 0.372 -2.199
185 HA3 GLY 23 HA3 GLY 23 4.263 1.574 -2.030
186 H LEU 24 H LEU 24 3.027 0.545 0.321
187 HA LEU 24 HA LEU 24 4.606 1.739 2.387
188 HB2 LEU 24 HB2 LEU 24 2.127 0.091 2.142
189 HB3 LEU 24 HB3 LEU 24 2.852 0.200 3.745
190 HG LEU 24 HG LEU 24 2.290 2.639 2.043
191 HD11 LEU 24 HD11 LEU 24 0.169 1.473 2.481
192 HD12 LEU 24 HD12 LEU 24 0.269 2.945 3.446
193 HD13 LEU 24 HD13 LEU 24 0.563 1.377 4.197
194 HD21 LEU 24 HD21 LEU 24 3.806 3.244 3.729
195 HD22 LEU 24 HD22 LEU 24 3.131 2.095 4.883
196 HD23 LEU 24 HD23 LEU 24 2.254 3.576 4.499
197 H LEU 25 H LEU 25 3.998 -1.721 1.630
198 HA LEU 25 HA LEU 25 5.604 -2.837 3.718
199 HB2 LEU 25 HB2 LEU 25 4.559 -3.694 1.033
200 HB3 LEU 25 HB3 LEU 25 5.713 -4.738 1.861
201 HG LEU 25 HG LEU 25 3.235 -3.674 3.234
202 HD11 LEU 25 HD11 LEU 25 3.510 -6.412 1.977
203 HD12 LEU 25 HD12 LEU 25 2.749 -5.062 1.136
204 HD13 LEU 25 HD13 LEU 25 2.058 -5.664 2.643
205 HD21 LEU 25 HD21 LEU 25 5.090 -4.539 4.646
206 HD22 LEU 25 HD22 LEU 25 5.031 -6.066 3.765
207 HD23 LEU 25 HD23 LEU 25 3.659 -5.564 4.752
208 H GLN 26 H GLN 26 6.426 -1.824 0.398
209 HA GLN 26 HA GLN 26 9.132 -2.770 0.347
210 HB2 GLN 26 HB2 GLN 26 7.907 -2.093 -1.644
211 HB3 GLN 26 HB3 GLN 26 7.688 -0.464 -1.009
212 HG2 GLN 26 HG2 GLN 26 10.491 -1.457 -1.231
213 HG3 GLN 26 HG3 GLN 26 9.656 -1.072 -2.736
214 HE21 GLN 26 HE21 GLN 26 11.559 0.324 -0.340
215 HE22 GLN 26 HE22 GLN 26 11.095 1.944 -0.549
216 H GLN 27 H GLN 27 7.737 0.384 1.320
217 HA GLN 27 HA GLN 27 10.222 1.673 1.950
218 HB2 GLN 27 HB2 GLN 27 7.648 2.433 1.716
219 HB3 GLN 27 HB3 GLN 27 7.739 2.313 3.473
220 HG2 GLN 27 HG2 GLN 27 8.425 4.517 3.127
221 HG3 GLN 27 HG3 GLN 27 9.972 3.670 3.168
222 HE21 GLN 27 HE21 GLN 27 7.769 5.470 1.117
223 HE22 GLN 27 HE22 GLN 27 8.741 5.449 -0.275
224 H ALA 28 H ALA 28 8.017 -0.331 3.873
225 HA ALA 28 HA ALA 28 9.192 0.047 6.444
226 HB1 ALA 28 HB1 ALA 28 7.890 -1.847 7.031
227 HB2 ALA 28 HB2 ALA 28 8.061 -2.563 5.430
228 HB3 ALA 28 HB3 ALA 28 7.021 -1.156 5.661
229 H SER 29 H SER 29 9.970 -2.202 3.814
230 HA SER 29 HA SER 29 12.020 -3.696 5.179
231 HB2 SER 29 HB2 SER 29 11.501 -3.061 2.255
232 HB3 SER 29 HB3 SER 29 12.654 -4.272 2.808
233 HG SER 29 HG SER 29 9.976 -4.442 2.553
234 H LYS 30 H LYS 30 12.091 -0.778 3.124
235 HA LYS 30 HA LYS 30 14.969 -0.444 3.160
236 HB2 LYS 30 HB2 LYS 30 12.724 0.670 1.906
237 HB3 LYS 30 HB3 LYS 30 13.378 1.993 2.873
238 HG2 LYS 30 HG2 LYS 30 15.680 1.237 1.884
239 HG3 LYS 30 HG3 LYS 30 14.694 0.445 0.655
240 HD2 LYS 30 HD2 LYS 30 13.666 2.530 0.024
241 HD3 LYS 30 HD3 LYS 30 14.395 3.367 1.395
242 HE2 LYS 30 HE2 LYS 30 16.137 1.995 -0.660
243 HE3 LYS 30 HE3 LYS 30 15.544 3.647 -0.923
244 HZ1 LYS 30 HZ1 LYS 30 17.554 3.890 0.251
245 HZ2 LYS 30 HZ2 LYS 30 17.184 2.635 1.333
246 HZ3 LYS 30 HZ3 LYS 30 16.344 4.110 1.418
247 H GLN 31 H GLN 31 12.304 0.721 5.197
248 HA GLN 31 HA GLN 31 13.845 2.576 6.787
249 HB2 GLN 31 HB2 GLN 31 11.343 2.462 6.498
250 HB3 GLN 31 HB3 GLN 31 11.343 1.001 7.486
251 HG2 GLN 31 HG2 GLN 31 12.836 2.851 8.969
252 HG3 GLN 31 HG3 GLN 31 11.487 3.785 8.323
253 HE21 GLN 31 HE21 GLN 31 9.248 2.602 8.582
254 HE22 GLN 31 HE22 GLN 31 9.004 1.780 10.047
255 H ALA 32 H ALA 32 13.109 -0.898 7.089
256 HA ALA 32 HA ALA 32 14.326 -1.164 9.733
257 HB1 ALA 32 HB1 ALA 32 13.649 -3.224 7.609
258 HB2 ALA 32 HB2 ALA 32 12.505 -2.600 8.797
259 HB3 ALA 32 HB3 ALA 32 13.899 -3.543 9.325
260 H GLN 33 H GLN 33 15.670 -0.704 6.657
261 HA GLN 33 HA GLN 33 17.894 -2.538 6.715
262 HB2 GLN 33 HB2 GLN 33 16.893 -1.274 4.755
263 HB3 GLN 33 HB3 GLN 33 17.683 0.175 5.377
264 HG2 GLN 33 HG2 GLN 33 19.719 -0.479 4.629
265 HG3 GLN 33 HG3 GLN 33 19.488 -2.135 5.193
266 HE21 GLN 33 HE21 GLN 33 18.889 0.061 2.453
267 HE22 GLN 33 HE22 GLN 33 18.539 -1.166 1.332
268 H ASP 34 H ASP 34 17.694 0.979 7.530
269 HA ASP 34 HA ASP 34 19.850 0.597 9.530
270 HB2 ASP 34 HB2 ASP 34 20.280 1.465 6.832
271 HB3 ASP 34 HB3 ASP 34 20.600 2.826 7.906
272 H ILE 35 H ILE 35 18.527 3.425 7.763
273 HA ILE 35 HA ILE 35 17.839 5.524 8.622
274 HB ILE 35 HB ILE 35 15.687 5.266 9.751
275 HG12 ILE 35 HG12 ILE 35 16.114 2.297 9.986
276 HG13 ILE 35 HG13 ILE 35 16.686 3.358 11.270
277 HG21 ILE 35 HG21 ILE 35 15.989 2.927 7.861
278 HG22 ILE 35 HG22 ILE 35 16.033 4.601 7.304
279 HG23 ILE 35 HG23 ILE 35 14.585 3.970 8.090
280 HD11 ILE 35 HD11 ILE 35 14.592 3.761 12.021
281 HD12 ILE 35 HD12 ILE 35 14.110 2.375 11.042
282 HD13 ILE 35 HD13 ILE 35 13.968 4.008 10.390
283 H GLN 36 H GLN 36 20.177 4.888 9.983
284 HA GLN 36 HA GLN 36 19.617 5.233 12.881
285 HB2 GLN 36 HB2 GLN 36 22.146 4.932 12.996
286 HB3 GLN 36 HB3 GLN 36 21.254 3.566 12.335
287 HG2 GLN 36 HG2 GLN 36 21.958 4.001 10.139
288 HG3 GLN 36 HG3 GLN 36 22.355 5.682 10.494
289 HE21 GLN 36 HE21 GLN 36 23.643 2.472 10.348
290 HE22 GLN 36 HE22 GLN 36 25.173 2.828 10.996
291 HA PRO 37 HA PRO 37 20.267 9.611 12.223
292 HB2 PRO 37 HB2 PRO 37 19.543 10.383 14.745
293 HB3 PRO 37 HB3 PRO 37 18.364 9.955 13.492
294 HG2 PRO 37 HG2 PRO 37 19.296 8.387 15.824
295 HG3 PRO 37 HG3 PRO 37 17.710 8.420 15.041
296 HD2 PRO 37 HD2 PRO 37 19.624 6.441 14.706
297 HD3 PRO 37 HD3 PRO 37 18.262 6.752 13.610
298 H ALA 38 H ALA 38 22.658 8.545 12.300
299 HA ALA 38 HA ALA 38 24.073 9.362 14.805
300 HB1 ALA 38 HB1 ALA 38 24.857 7.672 12.407
301 HB2 ALA 38 HB2 ALA 38 24.414 7.076 14.007
302 HB3 ALA 38 HB3 ALA 38 25.909 7.987 13.787
303 H MET 39 H MET 39 24.294 9.702 11.244
304 HA MET 39 HA MET 39 26.304 11.850 11.487
305 HB2 MET 39 HB2 MET 39 25.901 9.896 9.692
306 HB3 MET 39 HB3 MET 39 24.924 11.149 8.928
307 HG2 MET 39 HG2 MET 39 27.169 12.566 9.582
308 HG3 MET 39 HG3 MET 39 27.857 10.978 9.243
309 HE1 MET 39 HE1 MET 39 25.549 13.793 6.506
310 HE2 MET 39 HE2 MET 39 26.857 14.310 7.566
311 HE3 MET 39 HE3 MET 39 25.404 13.597 8.259
312 H GLN 40 H GLN 40 22.844 11.505 10.902
313 HA GLN 40 HA GLN 40 21.162 13.069 10.361
314 HB2 GLN 40 HB2 GLN 40 21.040 14.757 12.124
315 HB3 GLN 40 HB3 GLN 40 21.635 13.244 12.797
316 HG2 GLN 40 HG2 GLN 40 23.812 14.060 13.057
317 HG3 GLN 40 HG3 GLN 40 23.597 15.311 11.833
318 HE21 GLN 40 HE21 GLN 40 24.171 15.224 14.982
319 HE22 GLN 40 HE22 GLN 40 23.168 16.472 15.549
Start of MODEL 12
1 HA ALA 1 HA ALA 1 -28.855 3.555 -7.607
2 HB1 ALA 1 HB1 ALA 1 -31.836 3.628 -7.037
3 HB2 ALA 1 HB2 ALA 1 -30.798 5.023 -7.332
4 HB3 ALA 1 HB3 ALA 1 -30.583 4.057 -5.873
5 H SER 2 H SER 2 -28.398 1.129 -8.300
6 HA SER 2 HA SER 2 -29.932 -0.925 -6.879
7 HB2 SER 2 HB2 SER 2 -28.076 -2.369 -7.801
8 HB3 SER 2 HB3 SER 2 -28.905 -1.407 -9.021
9 HG SER 2 HG SER 2 -26.376 -1.464 -8.652
10 H ARG 3 H ARG 3 -28.960 -2.314 -5.211
11 HA ARG 3 HA ARG 3 -27.500 -0.790 -3.179
12 HB2 ARG 3 HB2 ARG 3 -28.459 -3.666 -3.379
13 HB3 ARG 3 HB3 ARG 3 -27.805 -2.938 -1.913
14 HG2 ARG 3 HG2 ARG 3 -30.184 -1.794 -3.401
15 HG3 ARG 3 HG3 ARG 3 -30.340 -2.938 -2.070
16 HD2 ARG 3 HD2 ARG 3 -30.418 -1.007 -0.814
17 HD3 ARG 3 HD3 ARG 3 -28.652 -1.119 -0.937
18 HE ARG 3 HE ARG 3 -29.502 0.175 -3.288
19 HH11 ARG 3 HH11 ARG 3 -27.653 1.326 -1.152
20 HH12 ARG 3 HH12 ARG 3 -28.517 2.754 -0.693
21 HH21 ARG 3 HH21 ARG 3 -31.504 1.730 -2.149
22 HH22 ARG 3 HH22 ARG 3 -30.707 2.982 -1.257
23 H ALA 4 H ALA 4 -26.770 -3.448 -5.424
24 HA ALA 4 HA ALA 4 -24.218 -4.205 -4.377
25 HB1 ALA 4 HB1 ALA 4 -25.716 -5.360 -6.090
26 HB2 ALA 4 HB2 ALA 4 -23.998 -5.336 -6.488
27 HB3 ALA 4 HB3 ALA 4 -25.102 -4.208 -7.275
28 H ALA 5 H ALA 5 -25.203 -1.482 -6.395
29 HA ALA 5 HA ALA 5 -22.753 -0.756 -7.612
30 HB1 ALA 5 HB1 ALA 5 -24.893 0.294 -8.116
31 HB2 ALA 5 HB2 ALA 5 -23.779 1.541 -7.554
32 HB3 ALA 5 HB3 ALA 5 -25.018 0.910 -6.467
33 H LEU 6 H LEU 6 -24.017 0.230 -4.397
34 HA LEU 6 HA LEU 6 -21.802 1.852 -3.614
35 HB2 LEU 6 HB2 LEU 6 -24.223 1.299 -2.611
36 HB3 LEU 6 HB3 LEU 6 -23.286 0.183 -1.618
37 HG LEU 6 HG LEU 6 -22.312 3.003 -1.929
38 HD11 LEU 6 HD11 LEU 6 -23.719 3.782 -0.131
39 HD12 LEU 6 HD12 LEU 6 -24.396 2.172 0.109
40 HD13 LEU 6 HD13 LEU 6 -24.775 3.079 -1.355
41 HD21 LEU 6 HD21 LEU 6 -21.668 2.499 0.495
42 HD22 LEU 6 HD22 LEU 6 -20.863 1.520 -0.731
43 HD23 LEU 6 HD23 LEU 6 -22.203 0.846 0.194
44 H ILE 7 H ILE 7 -22.374 -1.656 -3.265
45 HA ILE 7 HA ILE 7 -20.077 -2.252 -1.650
46 HB ILE 7 HB ILE 7 -21.693 -3.848 -3.668
47 HG12 ILE 7 HG12 ILE 7 -21.777 -4.275 -0.710
48 HG13 ILE 7 HG13 ILE 7 -22.560 -2.827 -1.342
49 HG21 ILE 7 HG21 ILE 7 -20.721 -5.793 -2.201
50 HG22 ILE 7 HG22 ILE 7 -19.436 -4.639 -1.841
51 HG23 ILE 7 HG23 ILE 7 -19.739 -5.130 -3.507
52 HD11 ILE 7 HD11 ILE 7 -24.170 -4.021 -2.474
53 HD12 ILE 7 HD12 ILE 7 -23.851 -5.167 -1.172
54 HD13 ILE 7 HD13 ILE 7 -23.104 -5.398 -2.753
55 H GLU 8 H GLU 8 -20.532 -2.083 -5.194
56 HA GLU 8 HA GLU 8 -17.932 -3.039 -5.951
57 HB2 GLU 8 HB2 GLU 8 -20.023 -2.725 -7.369
58 HB3 GLU 8 HB3 GLU 8 -19.667 -0.997 -7.376
59 HG2 GLU 8 HG2 GLU 8 -17.275 -2.452 -8.049
60 HG3 GLU 8 HG3 GLU 8 -18.592 -2.990 -9.091
61 H GLU 9 H GLU 9 -19.170 0.284 -5.401
62 HA GLU 9 HA GLU 9 -16.819 1.733 -6.058
63 HB2 GLU 9 HB2 GLU 9 -19.231 2.482 -5.481
64 HB3 GLU 9 HB3 GLU 9 -18.705 2.429 -3.799
65 HG2 GLU 9 HG2 GLU 9 -18.254 4.652 -4.374
66 HG3 GLU 9 HG3 GLU 9 -16.694 3.880 -4.655
67 H GLY 10 H GLY 10 -17.803 0.279 -2.929
68 HA2 GLY 10 HA2 GLY 10 -15.544 1.214 -1.425
69 HA3 GLY 10 HA3 GLY 10 -16.544 -0.171 -0.993
70 H GLN 11 H GLN 11 -16.116 -1.794 -3.265
71 HA GLN 11 HA GLN 11 -13.668 -3.122 -2.622
72 HB2 GLN 11 HB2 GLN 11 -15.904 -3.726 -4.000
73 HB3 GLN 11 HB3 GLN 11 -14.847 -3.343 -5.360
74 HG2 GLN 11 HG2 GLN 11 -13.192 -4.966 -4.578
75 HG3 GLN 11 HG3 GLN 11 -14.169 -5.306 -3.150
76 HE21 GLN 11 HE21 GLN 11 -13.367 -7.029 -5.616
77 HE22 GLN 11 HE22 GLN 11 -14.846 -7.681 -6.137
78 H ARG 12 H ARG 12 -14.471 -0.747 -5.156
79 HA ARG 12 HA ARG 12 -11.990 -0.801 -6.586
80 HB2 ARG 12 HB2 ARG 12 -14.322 0.314 -7.046
81 HB3 ARG 12 HB3 ARG 12 -13.657 1.677 -6.144
82 HG2 ARG 12 HG2 ARG 12 -11.583 1.215 -7.801
83 HG3 ARG 12 HG3 ARG 12 -12.894 0.621 -8.822
84 HD2 ARG 12 HD2 ARG 12 -13.828 3.050 -7.690
85 HD3 ARG 12 HD3 ARG 12 -12.176 3.360 -8.254
86 HE ARG 12 HE ARG 12 -12.870 2.851 -10.485
87 HH11 ARG 12 HH11 ARG 12 -15.486 3.988 -9.087
88 HH12 ARG 12 HH12 ARG 12 -16.661 2.945 -9.816
89 HH21 ARG 12 HH21 ARG 12 -14.302 0.700 -11.033
90 HH22 ARG 12 HH22 ARG 12 -15.990 1.079 -10.921
91 H ILE 13 H ILE 13 -13.076 1.127 -3.783
92 HA ILE 13 HA ILE 13 -10.596 2.637 -3.538
93 HB ILE 13 HB ILE 13 -12.933 2.088 -1.672
94 HG12 ILE 13 HG12 ILE 13 -12.354 4.695 -3.053
95 HG13 ILE 13 HG13 ILE 13 -13.133 3.396 -3.958
96 HG21 ILE 13 HG21 ILE 13 -12.013 4.329 -0.659
97 HG22 ILE 13 HG22 ILE 13 -10.494 3.829 -1.402
98 HG23 ILE 13 HG23 ILE 13 -11.263 2.802 -0.193
99 HD11 ILE 13 HD11 ILE 13 -14.679 5.060 -2.742
100 HD12 ILE 13 HD12 ILE 13 -14.156 4.270 -1.255
101 HD13 ILE 13 HD13 ILE 13 -14.998 3.343 -2.497
102 H ALA 14 H ALA 14 -11.989 -0.239 -1.934
103 HA ALA 14 HA ALA 14 -9.986 -0.676 0.037
104 HB1 ALA 14 HB1 ALA 14 -11.679 -2.605 -1.585
105 HB2 ALA 14 HB2 ALA 14 -12.136 -1.844 -0.061
106 HB3 ALA 14 HB3 ALA 14 -10.829 -3.029 -0.099
107 H GLU 15 H GLU 15 -10.117 -1.767 -3.376
108 HA GLU 15 HA GLU 15 -7.737 -3.362 -3.346
109 HB2 GLU 15 HB2 GLU 15 -9.702 -2.964 -5.086
110 HB3 GLU 15 HB3 GLU 15 -8.588 -1.764 -5.741
111 HG2 GLU 15 HG2 GLU 15 -7.114 -3.344 -6.490
112 HG3 GLU 15 HG3 GLU 15 -7.402 -4.410 -5.115
113 H MET 16 H MET 16 -8.237 0.086 -4.208
114 HA MET 16 HA MET 16 -5.525 0.702 -4.868
115 HB2 MET 16 HB2 MET 16 -7.922 1.986 -4.906
116 HB3 MET 16 HB3 MET 16 -7.191 2.750 -3.495
117 HG2 MET 16 HG2 MET 16 -6.466 4.113 -5.274
118 HG3 MET 16 HG3 MET 16 -5.096 3.034 -5.009
119 HE1 MET 16 HE1 MET 16 -8.152 3.929 -6.692
120 HE2 MET 16 HE2 MET 16 -8.250 3.087 -8.236
121 HE3 MET 16 HE3 MET 16 -7.165 4.463 -8.059
122 H LEU 17 H LEU 17 -7.249 0.662 -1.749
123 HA LEU 17 HA LEU 17 -5.157 1.838 -0.160
124 HB2 LEU 17 HB2 LEU 17 -7.701 1.320 0.276
125 HB3 LEU 17 HB3 LEU 17 -7.093 -0.234 0.846
126 HG LEU 17 HG LEU 17 -5.417 1.227 2.234
127 HD11 LEU 17 HD11 LEU 17 -7.623 3.176 1.524
128 HD12 LEU 17 HD12 LEU 17 -5.885 3.389 1.309
129 HD13 LEU 17 HD13 LEU 17 -6.580 3.385 2.931
130 HD21 LEU 17 HD21 LEU 17 -6.974 1.225 4.093
131 HD22 LEU 17 HD22 LEU 17 -7.299 -0.203 3.110
132 HD23 LEU 17 HD23 LEU 17 -8.354 1.204 2.994
133 H LYS 18 H LYS 18 -5.890 -1.499 -1.100
134 HA LYS 18 HA LYS 18 -4.014 -2.863 0.567
135 HB2 LYS 18 HB2 LYS 18 -5.937 -3.703 -0.965
136 HB3 LYS 18 HB3 LYS 18 -4.740 -3.654 -2.260
137 HG2 LYS 18 HG2 LYS 18 -3.357 -4.949 -0.265
138 HG3 LYS 18 HG3 LYS 18 -4.998 -5.544 -0.014
139 HD2 LYS 18 HD2 LYS 18 -4.250 -5.467 -2.846
140 HD3 LYS 18 HD3 LYS 18 -3.198 -6.514 -1.894
141 HE2 LYS 18 HE2 LYS 18 -4.842 -8.080 -2.137
142 HE3 LYS 18 HE3 LYS 18 -5.733 -7.137 -0.926
143 HZ1 LYS 18 HZ1 LYS 18 -6.724 -5.825 -2.635
144 HZ2 LYS 18 HZ2 LYS 18 -6.956 -7.454 -3.059
145 HZ3 LYS 18 HZ3 LYS 18 -5.759 -6.533 -3.837
146 H SER 19 H SER 19 -3.675 -1.485 -2.713
147 HA SER 19 HA SER 19 -0.919 -2.292 -3.086
148 HB2 SER 19 HB2 SER 19 -2.945 -0.529 -4.371
149 HB3 SER 19 HB3 SER 19 -1.259 -0.179 -4.747
150 HG SER 19 HG SER 19 -2.213 -1.739 -6.159
151 H LYS 20 H LYS 20 -2.492 0.619 -1.765
152 HA LYS 20 HA LYS 20 -0.184 2.304 -1.583
153 HB2 LYS 20 HB2 LYS 20 -2.815 2.042 -0.127
154 HB3 LYS 20 HB3 LYS 20 -1.635 3.247 0.385
155 HG2 LYS 20 HG2 LYS 20 -1.651 4.289 -1.798
156 HG3 LYS 20 HG3 LYS 20 -2.648 2.994 -2.460
157 HD2 LYS 20 HD2 LYS 20 -4.358 3.659 -0.623
158 HD3 LYS 20 HD3 LYS 20 -3.428 5.153 -0.505
159 HE2 LYS 20 HE2 LYS 20 -3.712 5.033 -3.198
160 HE3 LYS 20 HE3 LYS 20 -5.199 4.202 -2.703
161 HZ1 LYS 20 HZ1 LYS 20 -4.261 6.803 -1.607
162 HZ2 LYS 20 HZ2 LYS 20 -5.713 6.011 -1.213
163 HZ3 LYS 20 HZ3 LYS 20 -5.475 6.633 -2.777
164 H ILE 21 H ILE 21 -1.550 -0.103 0.672
165 HA ILE 21 HA ILE 21 0.351 0.322 2.799
166 HB ILE 21 HB ILE 21 -1.427 -1.993 1.971
167 HG12 ILE 21 HG12 ILE 21 -2.631 0.041 2.617
168 HG13 ILE 21 HG13 ILE 21 -2.816 -1.177 3.876
169 HG21 ILE 21 HG21 ILE 21 0.171 -3.058 3.331
170 HG22 ILE 21 HG22 ILE 21 -1.092 -2.612 4.479
171 HG23 ILE 21 HG23 ILE 21 0.375 -1.641 4.362
172 HD11 ILE 21 HD11 ILE 21 -1.354 1.409 3.944
173 HD12 ILE 21 HD12 ILE 21 -0.579 0.057 4.771
174 HD13 ILE 21 HD13 ILE 21 -2.203 0.562 5.237
175 H GLN 22 H GLN 22 0.302 -1.782 -0.046
176 HA GLN 22 HA GLN 22 2.591 -3.395 0.593
177 HB2 GLN 22 HB2 GLN 22 1.204 -2.534 -1.957
178 HB3 GLN 22 HB3 GLN 22 2.589 -3.626 -1.983
179 HG2 GLN 22 HG2 GLN 22 0.173 -4.160 -0.247
180 HG3 GLN 22 HG3 GLN 22 0.261 -4.718 -1.917
181 HE21 GLN 22 HE21 GLN 22 1.468 -5.265 1.333
182 HE22 GLN 22 HE22 GLN 22 2.405 -6.631 0.961
183 H GLY 23 H GLY 23 2.258 -0.333 -1.235
184 HA2 GLY 23 HA2 GLY 23 5.012 -0.056 -1.950
185 HA3 GLY 23 HA3 GLY 23 3.863 1.276 -1.825
186 H LEU 24 H LEU 24 3.193 0.982 0.934
187 HA LEU 24 HA LEU 24 5.278 2.473 2.211
188 HB2 LEU 24 HB2 LEU 24 2.872 0.897 3.152
189 HB3 LEU 24 HB3 LEU 24 3.898 1.774 4.286
190 HG LEU 24 HG LEU 24 2.767 3.141 1.847
191 HD11 LEU 24 HD11 LEU 24 1.007 1.999 3.414
192 HD12 LEU 24 HD12 LEU 24 0.778 3.687 2.958
193 HD13 LEU 24 HD13 LEU 24 1.438 3.284 4.543
194 HD21 LEU 24 HD21 LEU 24 3.671 4.094 4.585
195 HD22 LEU 24 HD22 LEU 24 3.057 5.134 3.299
196 HD23 LEU 24 HD23 LEU 24 4.576 4.264 3.081
197 H LEU 25 H LEU 25 4.371 -0.981 2.442
198 HA LEU 25 HA LEU 25 6.334 -1.781 4.357
199 HB2 LEU 25 HB2 LEU 25 4.508 -2.981 2.374
200 HB3 LEU 25 HB3 LEU 25 5.931 -3.963 2.710
201 HG LEU 25 HG LEU 25 4.026 -4.492 4.229
202 HD11 LEU 25 HD11 LEU 25 6.399 -4.790 4.944
203 HD12 LEU 25 HD12 LEU 25 5.321 -4.442 6.295
204 HD13 LEU 25 HD13 LEU 25 6.361 -3.174 5.648
205 HD21 LEU 25 HD21 LEU 25 3.288 -2.870 5.873
206 HD22 LEU 25 HD22 LEU 25 3.137 -2.134 4.278
207 HD23 LEU 25 HD23 LEU 25 4.488 -1.700 5.325
208 H GLN 26 H GLN 26 6.480 -1.540 0.799
209 HA GLN 26 HA GLN 26 9.088 -2.723 0.484
210 HB2 GLN 26 HB2 GLN 26 7.203 -2.228 -1.220
211 HB3 GLN 26 HB3 GLN 26 7.859 -0.591 -1.273
212 HG2 GLN 26 HG2 GLN 26 8.841 -1.961 -3.064
213 HG3 GLN 26 HG3 GLN 26 10.077 -1.508 -1.891
214 HE21 GLN 26 HE21 GLN 26 7.730 -4.211 -2.451
215 HE22 GLN 26 HE22 GLN 26 8.796 -5.425 -1.933
216 H GLN 27 H GLN 27 7.996 0.607 1.118
217 HA GLN 27 HA GLN 27 10.553 1.882 0.717
218 HB2 GLN 27 HB2 GLN 27 7.864 2.518 1.580
219 HB3 GLN 27 HB3 GLN 27 9.034 3.298 2.645
220 HG2 GLN 27 HG2 GLN 27 9.996 4.534 0.908
221 HG3 GLN 27 HG3 GLN 27 9.427 3.419 -0.334
222 HE21 GLN 27 HE21 GLN 27 7.121 3.546 -0.955
223 HE22 GLN 27 HE22 GLN 27 6.209 4.933 -0.603
224 H ALA 28 H ALA 28 9.035 0.281 3.468
225 HA ALA 28 HA ALA 28 11.101 1.104 5.382
226 HB1 ALA 28 HB1 ALA 28 8.696 -0.717 5.368
227 HB2 ALA 28 HB2 ALA 28 8.927 0.790 6.256
228 HB3 ALA 28 HB3 ALA 28 9.785 -0.668 6.755
229 H SER 29 H SER 29 10.844 -1.371 3.008
230 HA SER 29 HA SER 29 12.328 -3.466 4.338
231 HB2 SER 29 HB2 SER 29 12.259 -4.500 2.200
232 HB3 SER 29 HB3 SER 29 10.796 -3.523 2.257
233 HG SER 29 HG SER 29 11.625 -2.180 0.814
234 H LYS 30 H LYS 30 13.281 -0.638 2.411
235 HA LYS 30 HA LYS 30 16.009 -1.361 1.916
236 HB2 LYS 30 HB2 LYS 30 14.690 0.472 0.836
237 HB3 LYS 30 HB3 LYS 30 14.767 1.378 2.346
238 HG2 LYS 30 HG2 LYS 30 16.816 2.148 1.827
239 HG3 LYS 30 HG3 LYS 30 17.417 0.503 1.635
240 HD2 LYS 30 HD2 LYS 30 15.728 1.603 -0.566
241 HD3 LYS 30 HD3 LYS 30 17.366 2.237 -0.409
242 HE2 LYS 30 HE2 LYS 30 17.754 0.388 -1.790
243 HE3 LYS 30 HE3 LYS 30 17.977 -0.356 -0.195
244 HZ1 LYS 30 HZ1 LYS 30 15.333 -0.187 -1.533
245 HZ2 LYS 30 HZ2 LYS 30 15.758 -1.121 -0.179
246 HZ3 LYS 30 HZ3 LYS 30 16.360 -1.525 -1.713
247 H GLN 31 H GLN 31 14.614 0.669 4.542
248 HA GLN 31 HA GLN 31 17.028 1.207 5.935
249 HB2 GLN 31 HB2 GLN 31 14.254 1.622 6.220
250 HB3 GLN 31 HB3 GLN 31 14.755 0.802 7.698
251 HG2 GLN 31 HG2 GLN 31 15.331 2.904 8.371
252 HG3 GLN 31 HG3 GLN 31 16.783 2.600 7.418
253 HE21 GLN 31 HE21 GLN 31 13.781 4.432 7.535
254 HE22 GLN 31 HE22 GLN 31 14.067 5.347 6.133
255 H ALA 32 H ALA 32 14.851 -1.608 6.157
256 HA ALA 32 HA ALA 32 16.281 -2.829 8.391
257 HB1 ALA 32 HB1 ALA 32 14.123 -3.640 6.443
258 HB2 ALA 32 HB2 ALA 32 13.978 -3.327 8.173
259 HB3 ALA 32 HB3 ALA 32 14.778 -4.793 7.605
260 H GLN 33 H GLN 33 16.466 -3.046 4.858
261 HA GLN 33 HA GLN 33 18.179 -5.443 4.912
262 HB2 GLN 33 HB2 GLN 33 16.432 -4.328 3.131
263 HB3 GLN 33 HB3 GLN 33 17.968 -3.760 2.479
264 HG2 GLN 33 HG2 GLN 33 18.095 -5.787 1.474
265 HG3 GLN 33 HG3 GLN 33 18.507 -6.406 3.073
266 HE21 GLN 33 HE21 GLN 33 15.871 -6.103 0.715
267 HE22 GLN 33 HE22 GLN 33 14.817 -7.180 1.498
268 H ASP 34 H ASP 34 18.586 -1.998 4.004
269 HA ASP 34 HA ASP 34 21.441 -2.198 3.566
270 HB2 ASP 34 HB2 ASP 34 19.507 0.091 4.042
271 HB3 ASP 34 HB3 ASP 34 21.201 0.335 3.622
272 H ILE 35 H ILE 35 19.456 -1.670 6.420
273 HA ILE 35 HA ILE 35 20.016 -1.338 8.682
274 HB ILE 35 HB ILE 35 22.616 -2.524 7.639
275 HG12 ILE 35 HG12 ILE 35 20.620 -3.911 7.152
276 HG13 ILE 35 HG13 ILE 35 21.647 -4.675 8.364
277 HG21 ILE 35 HG21 ILE 35 22.575 -3.410 10.114
278 HG22 ILE 35 HG22 ILE 35 21.536 -2.013 10.396
279 HG23 ILE 35 HG23 ILE 35 23.173 -1.784 9.781
280 HD11 ILE 35 HD11 ILE 35 19.384 -4.856 9.157
281 HD12 ILE 35 HD12 ILE 35 19.071 -3.152 8.832
282 HD13 ILE 35 HD13 ILE 35 20.166 -3.614 10.134
283 H GLN 36 H GLN 36 19.930 1.038 8.025
284 HA GLN 36 HA GLN 36 22.528 2.417 7.763
285 HB2 GLN 36 HB2 GLN 36 19.641 3.346 7.951
286 HB3 GLN 36 HB3 GLN 36 21.009 4.414 7.631
287 HG2 GLN 36 HG2 GLN 36 21.542 2.711 5.704
288 HG3 GLN 36 HG3 GLN 36 19.848 2.259 5.887
289 HE21 GLN 36 HE21 GLN 36 18.233 4.141 5.721
290 HE22 GLN 36 HE22 GLN 36 18.626 5.430 4.690
291 HA PRO 37 HA PRO 37 22.993 3.257 12.061
292 HB2 PRO 37 HB2 PRO 37 24.381 5.613 11.954
293 HB3 PRO 37 HB3 PRO 37 25.107 4.044 11.552
294 HG2 PRO 37 HG2 PRO 37 24.101 6.181 9.746
295 HG3 PRO 37 HG3 PRO 37 25.512 5.126 9.572
296 HD2 PRO 37 HD2 PRO 37 23.151 4.739 8.249
297 HD3 PRO 37 HD3 PRO 37 24.294 3.437 8.639
298 H ALA 38 H ALA 38 22.712 5.278 13.637
299 HA ALA 38 HA ALA 38 20.033 6.422 13.072
300 HB1 ALA 38 HB1 ALA 38 20.208 5.431 15.200
301 HB2 ALA 38 HB2 ALA 38 20.442 7.144 15.552
302 HB3 ALA 38 HB3 ALA 38 21.833 6.064 15.462
303 H MET 39 H MET 39 22.786 7.445 11.928
304 HA MET 39 HA MET 39 22.808 10.209 13.027
305 HB2 MET 39 HB2 MET 39 24.554 8.593 11.151
306 HB3 MET 39 HB3 MET 39 24.813 10.317 11.416
307 HG2 MET 39 HG2 MET 39 24.482 8.899 13.937
308 HG3 MET 39 HG3 MET 39 25.811 8.229 12.991
309 HE1 MET 39 HE1 MET 39 28.062 9.067 13.090
310 HE2 MET 39 HE2 MET 39 28.474 10.758 12.816
311 HE3 MET 39 HE3 MET 39 27.475 9.901 11.644
312 H GLN 40 H GLN 40 22.641 8.628 9.801
313 HA GLN 40 HA GLN 40 20.743 10.746 8.908
314 HB2 GLN 40 HB2 GLN 40 23.551 10.281 8.053
315 HB3 GLN 40 HB3 GLN 40 22.396 10.558 6.750
316 HG2 GLN 40 HG2 GLN 40 22.341 12.760 7.211
317 HG3 GLN 40 HG3 GLN 40 21.890 12.428 8.883
318 HE21 GLN 40 HE21 GLN 40 23.537 12.589 10.498
319 HE22 GLN 40 HE22 GLN 40 25.139 13.029 10.146
Start of MODEL 13
1 HA ALA 1 HA ALA 1 -30.289 1.172 -1.085
2 HB1 ALA 1 HB1 ALA 1 -32.404 -0.714 0.002
3 HB2 ALA 1 HB2 ALA 1 -32.434 1.031 0.260
4 HB3 ALA 1 HB3 ALA 1 -31.107 0.066 0.908
5 H SER 2 H SER 2 -28.545 -0.016 -1.768
6 HA SER 2 HA SER 2 -28.847 -2.976 -2.030
7 HB2 SER 2 HB2 SER 2 -27.274 -2.546 -4.131
8 HB3 SER 2 HB3 SER 2 -29.023 -2.409 -4.279
9 HG SER 2 HG SER 2 -28.546 -0.469 -4.959
10 H ARG 3 H ARG 3 -27.487 -3.579 -0.368
11 HA ARG 3 HA ARG 3 -25.150 -2.149 0.497
12 HB2 ARG 3 HB2 ARG 3 -26.373 -4.860 0.883
13 HB3 ARG 3 HB3 ARG 3 -24.727 -4.597 1.458
14 HG2 ARG 3 HG2 ARG 3 -26.724 -2.495 2.136
15 HG3 ARG 3 HG3 ARG 3 -26.889 -4.042 2.968
16 HD2 ARG 3 HD2 ARG 3 -24.680 -3.900 3.885
17 HD3 ARG 3 HD3 ARG 3 -24.250 -2.551 2.814
18 HE ARG 3 HE ARG 3 -25.777 -1.120 4.077
19 HH11 ARG 3 HH11 ARG 3 -27.789 -3.016 5.059
20 HH12 ARG 3 HH12 ARG 3 -27.355 -3.235 6.722
21 HH21 ARG 3 HH21 ARG 3 -24.147 -1.959 6.324
22 HH22 ARG 3 HH22 ARG 3 -25.284 -2.634 7.440
23 H ALA 4 H ALA 4 -25.532 -4.987 -1.658
24 HA ALA 4 HA ALA 4 -22.804 -5.606 -2.094
25 HB1 ALA 4 HB1 ALA 4 -25.170 -5.709 -3.995
26 HB2 ALA 4 HB2 ALA 4 -24.738 -6.955 -2.824
27 HB3 ALA 4 HB3 ALA 4 -23.671 -6.618 -4.188
28 H ALA 5 H ALA 5 -24.883 -3.233 -3.776
29 HA ALA 5 HA ALA 5 -23.008 -2.406 -5.770
30 HB1 ALA 5 HB1 ALA 5 -24.481 -0.263 -5.594
31 HB2 ALA 5 HB2 ALA 5 -25.381 -1.164 -4.374
32 HB3 ALA 5 HB3 ALA 5 -25.275 -1.777 -6.024
33 H LEU 6 H LEU 6 -23.606 -1.185 -2.458
34 HA LEU 6 HA LEU 6 -21.717 0.985 -2.559
35 HB2 LEU 6 HB2 LEU 6 -23.638 0.004 -0.830
36 HB3 LEU 6 HB3 LEU 6 -22.146 -0.351 0.038
37 HG LEU 6 HG LEU 6 -22.981 1.879 0.647
38 HD11 LEU 6 HD11 LEU 6 -20.942 3.070 0.374
39 HD12 LEU 6 HD12 LEU 6 -20.586 2.270 -1.156
40 HD13 LEU 6 HD13 LEU 6 -20.478 1.368 0.356
41 HD21 LEU 6 HD21 LEU 6 -22.564 2.640 -2.257
42 HD22 LEU 6 HD22 LEU 6 -23.257 3.635 -0.976
43 HD23 LEU 6 HD23 LEU 6 -24.143 2.237 -1.585
44 H ILE 7 H ILE 7 -21.425 -2.428 -1.541
45 HA ILE 7 HA ILE 7 -18.756 -2.313 -0.513
46 HB ILE 7 HB ILE 7 -20.417 -4.498 -1.812
47 HG12 ILE 7 HG12 ILE 7 -19.665 -4.331 1.091
48 HG13 ILE 7 HG13 ILE 7 -20.953 -3.291 0.485
49 HG21 ILE 7 HG21 ILE 7 -18.199 -5.300 -2.048
50 HG22 ILE 7 HG22 ILE 7 -18.751 -6.005 -0.530
51 HG23 ILE 7 HG23 ILE 7 -17.691 -4.596 -0.514
52 HD11 ILE 7 HD11 ILE 7 -20.856 -6.304 0.155
53 HD12 ILE 7 HD12 ILE 7 -22.161 -5.242 -0.373
54 HD13 ILE 7 HD13 ILE 7 -21.834 -5.448 1.347
55 H GLU 8 H GLU 8 -19.977 -2.971 -3.818
56 HA GLU 8 HA GLU 8 -17.443 -3.535 -5.037
57 HB2 GLU 8 HB2 GLU 8 -20.047 -3.610 -5.782
58 HB3 GLU 8 HB3 GLU 8 -19.563 -2.109 -6.574
59 HG2 GLU 8 HG2 GLU 8 -19.026 -3.662 -8.222
60 HG3 GLU 8 HG3 GLU 8 -17.492 -3.549 -7.361
61 H GLU 9 H GLU 9 -19.249 -0.478 -4.622
62 HA GLU 9 HA GLU 9 -17.505 1.255 -6.065
63 HB2 GLU 9 HB2 GLU 9 -19.636 1.399 -4.025
64 HB3 GLU 9 HB3 GLU 9 -18.516 2.759 -3.981
65 HG2 GLU 9 HG2 GLU 9 -19.318 3.615 -5.913
66 HG3 GLU 9 HG3 GLU 9 -19.290 2.043 -6.711
67 H GLY 10 H GLY 10 -17.510 0.359 -2.591
68 HA2 GLY 10 HA2 GLY 10 -15.148 1.902 -1.952
69 HA3 GLY 10 HA3 GLY 10 -15.856 0.647 -0.939
70 H GLN 11 H GLN 11 -15.703 -1.520 -2.802
71 HA GLN 11 HA GLN 11 -13.095 -2.535 -2.330
72 HB2 GLN 11 HB2 GLN 11 -15.257 -3.740 -2.973
73 HB3 GLN 11 HB3 GLN 11 -14.916 -3.272 -4.640
74 HG2 GLN 11 HG2 GLN 11 -12.766 -4.449 -4.560
75 HG3 GLN 11 HG3 GLN 11 -13.033 -4.861 -2.867
76 HE21 GLN 11 HE21 GLN 11 -14.922 -5.139 -5.950
77 HE22 GLN 11 HE22 GLN 11 -15.437 -6.726 -5.651
78 H ARG 12 H ARG 12 -14.400 -0.846 -5.205
79 HA ARG 12 HA ARG 12 -12.105 -1.145 -6.895
80 HB2 ARG 12 HB2 ARG 12 -14.506 -0.321 -7.380
81 HB3 ARG 12 HB3 ARG 12 -13.957 1.249 -6.794
82 HG2 ARG 12 HG2 ARG 12 -12.015 0.998 -8.471
83 HG3 ARG 12 HG3 ARG 12 -12.968 -0.301 -9.190
84 HD2 ARG 12 HD2 ARG 12 -14.906 1.534 -9.097
85 HD3 ARG 12 HD3 ARG 12 -13.519 2.643 -9.140
86 HE ARG 12 HE ARG 12 -12.744 1.223 -11.155
87 HH11 ARG 12 HH11 ARG 12 -15.021 -0.689 -11.161
88 HH12 ARG 12 HH12 ARG 12 -16.102 0.014 -12.318
89 HH21 ARG 12 HH21 ARG 12 -14.578 3.138 -12.234
90 HH22 ARG 12 HH22 ARG 12 -15.853 2.191 -12.924
91 H ILE 13 H ILE 13 -13.057 1.588 -4.769
92 HA ILE 13 HA ILE 13 -10.633 3.104 -5.136
93 HB ILE 13 HB ILE 13 -12.818 3.018 -3.033
94 HG12 ILE 13 HG12 ILE 13 -12.221 5.207 -5.025
95 HG13 ILE 13 HG13 ILE 13 -13.174 3.798 -5.490
96 HG21 ILE 13 HG21 ILE 13 -11.905 5.310 -2.388
97 HG22 ILE 13 HG22 ILE 13 -10.447 4.886 -3.285
98 HG23 ILE 13 HG23 ILE 13 -10.924 3.935 -1.879
99 HD11 ILE 13 HD11 ILE 13 -13.812 5.583 -3.122
100 HD12 ILE 13 HD12 ILE 13 -14.800 4.258 -3.740
101 HD13 ILE 13 HD13 ILE 13 -14.578 5.718 -4.705
102 H ALA 14 H ALA 14 -11.664 0.732 -2.663
103 HA ALA 14 HA ALA 14 -9.415 0.955 -0.917
104 HB1 ALA 14 HB1 ALA 14 -11.259 -1.344 -1.636
105 HB2 ALA 14 HB2 ALA 14 -11.460 -0.199 -0.309
106 HB3 ALA 14 HB3 ALA 14 -10.146 -1.376 -0.269
107 H GLU 15 H GLU 15 -9.957 -1.222 -3.724
108 HA GLU 15 HA GLU 15 -7.517 -2.683 -3.567
109 HB2 GLU 15 HB2 GLU 15 -9.608 -3.057 -4.998
110 HB3 GLU 15 HB3 GLU 15 -8.957 -1.841 -6.097
111 HG2 GLU 15 HG2 GLU 15 -8.363 -4.174 -6.774
112 HG3 GLU 15 HG3 GLU 15 -6.946 -3.176 -6.453
113 H MET 16 H MET 16 -8.255 0.421 -5.170
114 HA MET 16 HA MET 16 -5.734 0.795 -6.482
115 HB2 MET 16 HB2 MET 16 -7.932 2.590 -5.443
116 HB3 MET 16 HB3 MET 16 -6.503 3.271 -6.221
117 HG2 MET 16 HG2 MET 16 -6.951 1.752 -8.187
118 HG3 MET 16 HG3 MET 16 -8.478 1.311 -7.423
119 HE1 MET 16 HE1 MET 16 -8.668 2.154 -10.116
120 HE2 MET 16 HE2 MET 16 -9.748 3.540 -10.243
121 HE3 MET 16 HE3 MET 16 -10.180 2.190 -9.196
122 H LEU 17 H LEU 17 -6.826 1.451 -3.171
123 HA LEU 17 HA LEU 17 -4.422 2.919 -2.401
124 HB2 LEU 17 HB2 LEU 17 -6.987 2.020 -1.249
125 HB3 LEU 17 HB3 LEU 17 -5.661 2.074 -0.091
126 HG LEU 17 HG LEU 17 -6.855 4.229 -0.158
127 HD11 LEU 17 HD11 LEU 17 -4.289 4.011 0.113
128 HD12 LEU 17 HD12 LEU 17 -4.943 5.608 -0.247
129 HD13 LEU 17 HD13 LEU 17 -4.201 4.650 -1.529
130 HD21 LEU 17 HD21 LEU 17 -6.781 5.606 -2.206
131 HD22 LEU 17 HD22 LEU 17 -7.640 4.094 -2.498
132 HD23 LEU 17 HD23 LEU 17 -5.981 4.290 -3.066
133 H LYS 18 H LYS 18 -5.529 -0.429 -2.244
134 HA LYS 18 HA LYS 18 -3.741 -1.560 -0.381
135 HB2 LYS 18 HB2 LYS 18 -5.091 -2.488 -2.906
136 HB3 LYS 18 HB3 LYS 18 -3.980 -3.572 -2.068
137 HG2 LYS 18 HG2 LYS 18 -5.289 -3.263 0.023
138 HG3 LYS 18 HG3 LYS 18 -6.425 -2.243 -0.859
139 HD2 LYS 18 HD2 LYS 18 -7.314 -4.017 -2.049
140 HD3 LYS 18 HD3 LYS 18 -5.825 -4.957 -1.968
141 HE2 LYS 18 HE2 LYS 18 -7.304 -4.389 0.589
142 HE3 LYS 18 HE3 LYS 18 -7.897 -5.671 -0.486
143 HZ1 LYS 18 HZ1 LYS 18 -5.744 -6.686 -0.499
144 HZ2 LYS 18 HZ2 LYS 18 -6.195 -6.450 1.122
145 HZ3 LYS 18 HZ3 LYS 18 -5.068 -5.408 0.392
146 H SER 19 H SER 19 -3.230 -1.143 -3.910
147 HA SER 19 HA SER 19 -0.565 -2.167 -4.010
148 HB2 SER 19 HB2 SER 19 -0.508 -0.922 -6.160
149 HB3 SER 19 HB3 SER 19 -2.029 -1.785 -5.957
150 HG SER 19 HG SER 19 -3.056 0.065 -5.806
151 H LYS 20 H LYS 20 -1.801 1.121 -3.377
152 HA LYS 20 HA LYS 20 0.735 2.472 -3.357
153 HB2 LYS 20 HB2 LYS 20 -1.869 3.190 -3.269
154 HB3 LYS 20 HB3 LYS 20 -1.473 3.355 -1.558
155 HG2 LYS 20 HG2 LYS 20 -0.809 5.444 -2.234
156 HG3 LYS 20 HG3 LYS 20 0.682 4.581 -2.612
157 HD2 LYS 20 HD2 LYS 20 -1.440 4.585 -4.705
158 HD3 LYS 20 HD3 LYS 20 -0.593 6.106 -4.427
159 HE2 LYS 20 HE2 LYS 20 0.900 3.497 -4.840
160 HE3 LYS 20 HE3 LYS 20 0.460 4.563 -6.187
161 HZ1 LYS 20 HZ1 LYS 20 1.470 6.409 -4.778
162 HZ2 LYS 20 HZ2 LYS 20 2.553 5.321 -5.503
163 HZ3 LYS 20 HZ3 LYS 20 2.179 5.176 -3.853
164 H ILE 21 H ILE 21 -1.095 0.767 -0.816
165 HA ILE 21 HA ILE 21 0.617 1.540 1.382
166 HB ILE 21 HB ILE 21 -1.255 -0.808 0.920
167 HG12 ILE 21 HG12 ILE 21 -1.845 1.514 2.718
168 HG13 ILE 21 HG13 ILE 21 -1.981 1.761 0.977
169 HG21 ILE 21 HG21 ILE 21 0.033 0.221 3.469
170 HG22 ILE 21 HG22 ILE 21 0.282 -1.360 2.728
171 HG23 ILE 21 HG23 ILE 21 -1.286 -0.950 3.422
172 HD11 ILE 21 HD11 ILE 21 -3.480 -0.222 0.843
173 HD12 ILE 21 HD12 ILE 21 -4.142 1.048 1.872
174 HD13 ILE 21 HD13 ILE 21 -3.397 -0.376 2.597
175 H GLN 22 H GLN 22 0.685 -1.072 -0.985
176 HA GLN 22 HA GLN 22 2.707 -2.693 0.286
177 HB2 GLN 22 HB2 GLN 22 1.374 -2.420 -2.363
178 HB3 GLN 22 HB3 GLN 22 2.923 -3.264 -2.352
179 HG2 GLN 22 HG2 GLN 22 2.086 -4.755 -0.562
180 HG3 GLN 22 HG3 GLN 22 0.527 -3.932 -0.619
181 HE21 GLN 22 HE21 GLN 22 2.812 -5.620 -2.860
182 HE22 GLN 22 HE22 GLN 22 1.587 -6.315 -3.806
183 H GLY 23 H GLY 23 2.873 -0.141 -2.233
184 HA2 GLY 23 HA2 GLY 23 5.701 -0.291 -2.650
185 HA3 GLY 23 HA3 GLY 23 4.701 1.119 -3.003
186 H LEU 24 H LEU 24 3.734 1.671 -0.412
187 HA LEU 24 HA LEU 24 5.923 3.161 0.723
188 HB2 LEU 24 HB2 LEU 24 3.268 3.366 0.787
189 HB3 LEU 24 HB3 LEU 24 3.460 2.434 2.273
190 HG LEU 24 HG LEU 24 5.347 4.228 2.770
191 HD11 LEU 24 HD11 LEU 24 4.979 5.255 0.467
192 HD12 LEU 24 HD12 LEU 24 4.925 6.387 1.818
193 HD13 LEU 24 HD13 LEU 24 3.426 5.836 1.069
194 HD21 LEU 24 HD21 LEU 24 3.392 3.911 4.183
195 HD22 LEU 24 HD22 LEU 24 2.361 4.720 3.003
196 HD23 LEU 24 HD23 LEU 24 3.585 5.637 3.879
197 H LEU 25 H LEU 25 4.273 0.146 1.736
198 HA LEU 25 HA LEU 25 5.820 -0.255 4.136
199 HB2 LEU 25 HB2 LEU 25 3.568 -1.270 3.303
200 HB3 LEU 25 HB3 LEU 25 4.585 -2.442 2.465
201 HG LEU 25 HG LEU 25 5.764 -2.702 4.788
202 HD11 LEU 25 HD11 LEU 25 3.118 -1.414 5.503
203 HD12 LEU 25 HD12 LEU 25 4.733 -0.889 5.979
204 HD13 LEU 25 HD13 LEU 25 4.056 -2.376 6.645
205 HD21 LEU 25 HD21 LEU 25 2.944 -3.732 4.345
206 HD22 LEU 25 HD22 LEU 25 4.154 -4.455 5.404
207 HD23 LEU 25 HD23 LEU 25 4.404 -4.445 3.660
208 H GLN 26 H GLN 26 6.301 -1.250 0.746
209 HA GLN 26 HA GLN 26 8.388 -3.150 1.107
210 HB2 GLN 26 HB2 GLN 26 7.027 -1.998 -0.981
211 HB3 GLN 26 HB3 GLN 26 8.626 -1.283 -1.180
212 HG2 GLN 26 HG2 GLN 26 8.784 -3.275 -2.418
213 HG3 GLN 26 HG3 GLN 26 9.498 -3.720 -0.868
214 HE21 GLN 26 HE21 GLN 26 8.457 -5.371 0.345
215 HE22 GLN 26 HE22 GLN 26 7.005 -6.109 -0.129
216 H GLN 27 H GLN 27 8.553 0.409 0.777
217 HA GLN 27 HA GLN 27 11.436 0.581 0.953
218 HB2 GLN 27 HB2 GLN 27 9.065 2.396 1.085
219 HB3 GLN 27 HB3 GLN 27 10.597 3.020 1.696
220 HG2 GLN 27 HG2 GLN 27 10.556 1.631 -0.962
221 HG3 GLN 27 HG3 GLN 27 9.982 3.295 -0.858
222 HE21 GLN 27 HE21 GLN 27 11.621 4.802 -1.205
223 HE22 GLN 27 HE22 GLN 27 13.260 4.564 -0.839
224 H ALA 28 H ALA 28 8.821 0.584 3.318
225 HA ALA 28 HA ALA 28 10.577 1.278 5.570
226 HB1 ALA 28 HB1 ALA 28 8.388 2.056 5.823
227 HB2 ALA 28 HB2 ALA 28 8.324 0.558 6.753
228 HB3 ALA 28 HB3 ALA 28 7.686 0.603 5.109
229 H SER 29 H SER 29 9.855 -1.581 3.849
230 HA SER 29 HA SER 29 10.128 -3.434 6.119
231 HB2 SER 29 HB2 SER 29 9.738 -3.592 3.140
232 HB3 SER 29 HB3 SER 29 10.217 -5.036 4.027
233 HG SER 29 HG SER 29 7.839 -3.604 4.058
234 H LYS 30 H LYS 30 12.070 -2.527 3.238
235 HA LYS 30 HA LYS 30 14.304 -4.222 3.722
236 HB2 LYS 30 HB2 LYS 30 13.570 -2.558 1.771
237 HB3 LYS 30 HB3 LYS 30 14.658 -1.457 2.619
238 HG2 LYS 30 HG2 LYS 30 15.565 -4.257 2.011
239 HG3 LYS 30 HG3 LYS 30 15.616 -3.031 0.745
240 HD2 LYS 30 HD2 LYS 30 17.305 -1.862 1.753
241 HD3 LYS 30 HD3 LYS 30 16.718 -2.212 3.378
242 HE2 LYS 30 HE2 LYS 30 17.478 -4.661 2.893
243 HE3 LYS 30 HE3 LYS 30 18.440 -3.933 1.592
244 HZ1 LYS 30 HZ1 LYS 30 19.826 -3.807 3.451
245 HZ2 LYS 30 HZ2 LYS 30 18.558 -3.383 4.502
246 HZ3 LYS 30 HZ3 LYS 30 19.145 -2.257 3.370
247 H GLN 31 H GLN 31 13.715 -0.855 4.811
248 HA GLN 31 HA GLN 31 16.208 -0.539 6.208
249 HB2 GLN 31 HB2 GLN 31 15.010 1.370 7.266
250 HB3 GLN 31 HB3 GLN 31 14.758 1.321 5.523
251 HG2 GLN 31 HG2 GLN 31 12.544 1.397 5.960
252 HG3 GLN 31 HG3 GLN 31 12.694 -0.260 6.537
253 HE21 GLN 31 HE21 GLN 31 11.143 2.316 7.517
254 HE22 GLN 31 HE22 GLN 31 11.450 2.313 9.186
255 H ALA 32 H ALA 32 13.156 -2.053 7.144
256 HA ALA 32 HA ALA 32 13.801 -2.154 10.002
257 HB1 ALA 32 HB1 ALA 32 11.519 -2.171 9.667
258 HB2 ALA 32 HB2 ALA 32 11.784 -3.914 9.659
259 HB3 ALA 32 HB3 ALA 32 11.648 -3.036 8.136
260 H GLN 33 H GLN 33 14.401 -4.167 7.195
261 HA GLN 33 HA GLN 33 14.770 -6.706 8.469
262 HB2 GLN 33 HB2 GLN 33 15.802 -5.371 5.962
263 HB3 GLN 33 HB3 GLN 33 16.254 -7.024 6.368
264 HG2 GLN 33 HG2 GLN 33 13.413 -6.726 6.708
265 HG3 GLN 33 HG3 GLN 33 13.865 -6.141 5.107
266 HE21 GLN 33 HE21 GLN 33 15.893 -7.810 4.295
267 HE22 GLN 33 HE22 GLN 33 15.385 -9.429 4.297
268 H ASP 34 H ASP 34 17.198 -4.212 7.560
269 HA ASP 34 HA ASP 34 19.143 -5.546 9.407
270 HB2 ASP 34 HB2 ASP 34 20.839 -4.443 8.032
271 HB3 ASP 34 HB3 ASP 34 19.710 -5.298 6.986
272 H ILE 35 H ILE 35 17.813 -2.344 8.520
273 HA ILE 35 HA ILE 35 17.694 -0.332 9.714
274 HB ILE 35 HB ILE 35 17.030 -2.506 11.345
275 HG12 ILE 35 HG12 ILE 35 15.618 -0.561 10.875
276 HG13 ILE 35 HG13 ILE 35 15.740 -0.818 12.614
277 HG21 ILE 35 HG21 ILE 35 19.298 -1.964 12.492
278 HG22 ILE 35 HG22 ILE 35 17.872 -2.152 13.509
279 HG23 ILE 35 HG23 ILE 35 18.469 -0.541 13.119
280 HD11 ILE 35 HD11 ILE 35 16.044 1.526 12.291
281 HD12 ILE 35 HD12 ILE 35 17.152 1.272 10.944
282 HD13 ILE 35 HD13 ILE 35 17.657 0.880 12.586
283 H GLN 36 H GLN 36 20.519 -1.754 9.188
284 HA GLN 36 HA GLN 36 22.037 0.366 10.620
285 HB2 GLN 36 HB2 GLN 36 21.879 -2.397 11.374
286 HB3 GLN 36 HB3 GLN 36 23.515 -2.073 10.803
287 HG2 GLN 36 HG2 GLN 36 22.115 -0.258 12.776
288 HG3 GLN 36 HG3 GLN 36 23.077 -1.643 13.292
289 HE21 GLN 36 HE21 GLN 36 23.524 1.459 13.398
290 HE22 GLN 36 HE22 GLN 36 25.104 1.635 12.801
291 HA PRO 37 HA PRO 37 23.921 0.313 6.576
292 HB2 PRO 37 HB2 PRO 37 25.760 2.281 7.059
293 HB3 PRO 37 HB3 PRO 37 24.045 2.615 6.746
294 HG2 PRO 37 HG2 PRO 37 25.521 2.545 9.329
295 HG3 PRO 37 HG3 PRO 37 24.230 3.633 8.794
296 HD2 PRO 37 HD2 PRO 37 23.835 1.525 10.484
297 HD3 PRO 37 HD3 PRO 37 22.576 2.187 9.419
298 H ALA 38 H ALA 38 25.626 -0.097 9.633
299 HA ALA 38 HA ALA 38 27.981 -1.279 8.214
300 HB1 ALA 38 HB1 ALA 38 28.225 0.618 9.866
301 HB2 ALA 38 HB2 ALA 38 29.151 -0.824 10.287
302 HB3 ALA 38 HB3 ALA 38 27.635 -0.475 11.118
303 H MET 39 H MET 39 25.208 -2.565 8.913
304 HA MET 39 HA MET 39 25.712 -4.568 10.943
305 HB2 MET 39 HB2 MET 39 23.552 -3.584 9.563
306 HB3 MET 39 HB3 MET 39 23.771 -5.152 8.787
307 HG2 MET 39 HG2 MET 39 24.072 -5.842 11.408
308 HG3 MET 39 HG3 MET 39 22.916 -4.518 11.548
309 HE1 MET 39 HE1 MET 39 24.045 -7.459 9.712
310 HE2 MET 39 HE2 MET 39 22.640 -8.308 9.074
311 HE3 MET 39 HE3 MET 39 23.054 -8.463 10.779
312 H GLN 40 H GLN 40 25.800 -4.653 7.359
313 HA GLN 40 HA GLN 40 26.803 -6.176 5.867
314 HB2 GLN 40 HB2 GLN 40 28.528 -6.286 8.349
315 HB3 GLN 40 HB3 GLN 40 28.948 -7.197 6.899
316 HG2 GLN 40 HG2 GLN 40 29.245 -5.251 5.610
317 HG3 GLN 40 HG3 GLN 40 28.310 -4.256 6.728
318 HE21 GLN 40 HE21 GLN 40 29.352 -3.816 8.901
319 HE22 GLN 40 HE22 GLN 40 31.046 -3.799 9.005
Start of MODEL 14
1 HA ALA 1 HA ALA 1 -29.911 5.086 -2.585
2 HB1 ALA 1 HB1 ALA 1 -31.408 4.020 -1.039
3 HB2 ALA 1 HB2 ALA 1 -30.049 2.916 -1.242
4 HB3 ALA 1 HB3 ALA 1 -31.572 2.603 -2.075
5 H SER 2 H SER 2 -27.872 3.914 -2.745
6 HA SER 2 HA SER 2 -27.640 2.321 -5.267
7 HB2 SER 2 HB2 SER 2 -25.173 2.969 -4.894
8 HB3 SER 2 HB3 SER 2 -26.285 4.281 -5.270
9 HG SER 2 HG SER 2 -25.199 3.518 -2.768
10 H ARG 3 H ARG 3 -27.645 0.136 -4.881
11 HA ARG 3 HA ARG 3 -26.356 -0.891 -2.375
12 HB2 ARG 3 HB2 ARG 3 -28.668 -1.656 -4.098
13 HB3 ARG 3 HB3 ARG 3 -27.765 -2.977 -3.357
14 HG2 ARG 3 HG2 ARG 3 -27.992 -1.756 -1.145
15 HG3 ARG 3 HG3 ARG 3 -29.116 -0.661 -1.951
16 HD2 ARG 3 HD2 ARG 3 -30.750 -2.307 -2.207
17 HD3 ARG 3 HD3 ARG 3 -29.566 -3.629 -2.167
18 HE ARG 3 HE ARG 3 -30.432 -2.059 0.229
19 HH11 ARG 3 HH11 ARG 3 -31.186 -4.954 -0.139
20 HH12 ARG 3 HH12 ARG 3 -29.993 -5.758 0.825
21 HH21 ARG 3 HH21 ARG 3 -27.891 -2.995 0.993
22 HH22 ARG 3 HH22 ARG 3 -28.119 -4.644 1.469
23 H ALA 4 H ALA 4 -26.897 -2.056 -5.733
24 HA ALA 4 HA ALA 4 -24.675 -3.849 -5.797
25 HB1 ALA 4 HB1 ALA 4 -26.638 -3.816 -7.336
26 HB2 ALA 4 HB2 ALA 4 -25.110 -3.823 -8.218
27 HB3 ALA 4 HB3 ALA 4 -26.025 -2.324 -8.050
28 H ALA 5 H ALA 5 -24.971 -0.458 -6.921
29 HA ALA 5 HA ALA 5 -22.295 -0.203 -7.937
30 HB1 ALA 5 HB1 ALA 5 -23.904 2.026 -6.688
31 HB2 ALA 5 HB2 ALA 5 -24.433 1.270 -8.190
32 HB3 ALA 5 HB3 ALA 5 -22.870 2.084 -8.115
33 H LEU 6 H LEU 6 -23.693 0.266 -4.698
34 HA LEU 6 HA LEU 6 -21.449 1.523 -3.441
35 HB2 LEU 6 HB2 LEU 6 -23.919 1.102 -2.698
36 HB3 LEU 6 HB3 LEU 6 -23.305 -0.434 -2.090
37 HG LEU 6 HG LEU 6 -21.480 0.992 -0.924
38 HD11 LEU 6 HD11 LEU 6 -21.992 3.295 -0.521
39 HD12 LEU 6 HD12 LEU 6 -23.598 3.134 -1.235
40 HD13 LEU 6 HD13 LEU 6 -22.165 3.060 -2.261
41 HD21 LEU 6 HD21 LEU 6 -24.360 1.280 -0.010
42 HD22 LEU 6 HD22 LEU 6 -22.924 1.325 1.013
43 HD23 LEU 6 HD23 LEU 6 -23.386 -0.175 0.208
44 H ILE 7 H ILE 7 -22.217 -1.904 -4.046
45 HA ILE 7 HA ILE 7 -20.216 -3.112 -2.409
46 HB ILE 7 HB ILE 7 -21.465 -3.898 -5.066
47 HG12 ILE 7 HG12 ILE 7 -22.062 -5.069 -2.352
48 HG13 ILE 7 HG13 ILE 7 -22.844 -3.575 -2.868
49 HG21 ILE 7 HG21 ILE 7 -19.650 -5.410 -3.185
50 HG22 ILE 7 HG22 ILE 7 -19.527 -5.247 -4.937
51 HG23 ILE 7 HG23 ILE 7 -20.791 -6.254 -4.233
52 HD11 ILE 7 HD11 ILE 7 -23.116 -6.341 -3.990
53 HD12 ILE 7 HD12 ILE 7 -23.332 -4.961 -5.067
54 HD13 ILE 7 HD13 ILE 7 -24.367 -5.147 -3.651
55 H GLU 8 H GLU 8 -20.088 -2.053 -5.830
56 HA GLU 8 HA GLU 8 -17.304 -2.749 -6.219
57 HB2 GLU 8 HB2 GLU 8 -19.265 -2.323 -7.890
58 HB3 GLU 8 HB3 GLU 8 -18.823 -0.623 -7.729
59 HG2 GLU 8 HG2 GLU 8 -17.514 -1.299 -9.551
60 HG3 GLU 8 HG3 GLU 8 -16.392 -1.477 -8.202
61 H GLU 9 H GLU 9 -18.986 0.158 -5.079
62 HA GLU 9 HA GLU 9 -16.926 2.091 -5.313
63 HB2 GLU 9 HB2 GLU 9 -19.444 2.111 -4.465
64 HB3 GLU 9 HB3 GLU 9 -18.684 1.947 -2.882
65 HG2 GLU 9 HG2 GLU 9 -18.520 4.212 -2.956
66 HG3 GLU 9 HG3 GLU 9 -17.151 3.916 -4.028
67 H GLY 10 H GLY 10 -17.610 -0.149 -2.596
68 HA2 GLY 10 HA2 GLY 10 -15.304 0.671 -1.050
69 HA3 GLY 10 HA3 GLY 10 -16.267 -0.778 -0.767
70 H GLN 11 H GLN 11 -15.920 -1.908 -3.418
71 HA GLN 11 HA GLN 11 -13.503 -3.393 -3.053
72 HB2 GLN 11 HB2 GLN 11 -15.428 -2.911 -5.329
73 HB3 GLN 11 HB3 GLN 11 -14.014 -3.942 -5.549
74 HG2 GLN 11 HG2 GLN 11 -15.085 -4.818 -3.133
75 HG3 GLN 11 HG3 GLN 11 -16.507 -4.497 -4.125
76 HE21 GLN 11 HE21 GLN 11 -13.254 -6.040 -4.530
77 HE22 GLN 11 HE22 GLN 11 -13.831 -7.327 -5.474
78 H ARG 12 H ARG 12 -14.244 -0.592 -5.157
79 HA ARG 12 HA ARG 12 -11.707 -0.452 -6.485
80 HB2 ARG 12 HB2 ARG 12 -14.156 1.062 -6.220
81 HB3 ARG 12 HB3 ARG 12 -12.778 2.158 -6.149
82 HG2 ARG 12 HG2 ARG 12 -12.877 0.014 -8.257
83 HG3 ARG 12 HG3 ARG 12 -13.773 1.515 -8.486
84 HD2 ARG 12 HD2 ARG 12 -11.375 2.530 -7.694
85 HD3 ARG 12 HD3 ARG 12 -10.837 1.053 -8.520
86 HE ARG 12 HE ARG 12 -12.093 1.811 -10.521
87 HH11 ARG 12 HH11 ARG 12 -13.700 3.816 -8.728
88 HH12 ARG 12 HH12 ARG 12 -13.097 5.315 -9.349
89 HH21 ARG 12 HH21 ARG 12 -10.405 3.848 -10.991
90 HH22 ARG 12 HH22 ARG 12 -11.222 5.333 -10.634
91 H ILE 13 H ILE 13 -12.872 0.992 -3.431
92 HA ILE 13 HA ILE 13 -10.383 2.439 -2.916
93 HB ILE 13 HB ILE 13 -12.756 1.686 -1.169
94 HG12 ILE 13 HG12 ILE 13 -13.372 3.079 -3.110
95 HG13 ILE 13 HG13 ILE 13 -13.488 4.011 -1.620
96 HG21 ILE 13 HG21 ILE 13 -10.267 3.232 -0.666
97 HG22 ILE 13 HG22 ILE 13 -11.289 2.343 0.462
98 HG23 ILE 13 HG23 ILE 13 -11.764 3.955 -0.074
99 HD11 ILE 13 HD11 ILE 13 -11.121 4.052 -3.519
100 HD12 ILE 13 HD12 ILE 13 -11.287 5.014 -2.050
101 HD13 ILE 13 HD13 ILE 13 -12.365 5.299 -3.416
102 H ALA 14 H ALA 14 -11.868 -0.600 -1.747
103 HA ALA 14 HA ALA 14 -9.999 -1.335 0.240
104 HB1 ALA 14 HB1 ALA 14 -12.030 -2.564 -0.084
105 HB2 ALA 14 HB2 ALA 14 -10.726 -3.687 -0.474
106 HB3 ALA 14 HB3 ALA 14 -11.633 -2.905 -1.769
107 H GLU 15 H GLU 15 -9.874 -2.070 -3.280
108 HA GLU 15 HA GLU 15 -7.386 -3.497 -3.226
109 HB2 GLU 15 HB2 GLU 15 -9.334 -2.605 -5.098
110 HB3 GLU 15 HB3 GLU 15 -7.776 -2.013 -5.673
111 HG2 GLU 15 HG2 GLU 15 -7.747 -4.130 -6.603
112 HG3 GLU 15 HG3 GLU 15 -7.004 -4.484 -5.044
113 H MET 16 H MET 16 -8.086 -0.049 -3.938
114 HA MET 16 HA MET 16 -5.380 0.803 -4.325
115 HB2 MET 16 HB2 MET 16 -7.944 2.137 -3.419
116 HB3 MET 16 HB3 MET 16 -6.452 3.052 -3.637
117 HG2 MET 16 HG2 MET 16 -7.504 1.256 -5.821
118 HG3 MET 16 HG3 MET 16 -8.084 2.912 -5.646
119 HE1 MET 16 HE1 MET 16 -6.637 4.927 -5.466
120 HE2 MET 16 HE2 MET 16 -7.070 4.676 -7.156
121 HE3 MET 16 HE3 MET 16 -5.434 5.180 -6.738
122 H LEU 17 H LEU 17 -7.390 0.515 -1.399
123 HA LEU 17 HA LEU 17 -5.650 1.784 0.469
124 HB2 LEU 17 HB2 LEU 17 -8.116 0.656 0.504
125 HB3 LEU 17 HB3 LEU 17 -7.196 -0.618 1.303
126 HG LEU 17 HG LEU 17 -6.606 2.133 2.227
127 HD11 LEU 17 HD11 LEU 17 -9.135 0.866 3.239
128 HD12 LEU 17 HD12 LEU 17 -9.189 1.879 1.796
129 HD13 LEU 17 HD13 LEU 17 -8.623 2.552 3.325
130 HD21 LEU 17 HD21 LEU 17 -5.872 -0.251 3.106
131 HD22 LEU 17 HD22 LEU 17 -7.431 -0.199 3.930
132 HD23 LEU 17 HD23 LEU 17 -6.221 1.044 4.251
133 H LYS 18 H LYS 18 -5.786 -1.572 -0.689
134 HA LYS 18 HA LYS 18 -3.747 -2.625 1.062
135 HB2 LYS 18 HB2 LYS 18 -5.584 -3.621 -0.697
136 HB3 LYS 18 HB3 LYS 18 -4.106 -3.790 -1.645
137 HG2 LYS 18 HG2 LYS 18 -3.174 -5.318 -0.187
138 HG3 LYS 18 HG3 LYS 18 -4.017 -4.656 1.213
139 HD2 LYS 18 HD2 LYS 18 -5.416 -6.162 -1.013
140 HD3 LYS 18 HD3 LYS 18 -4.841 -6.932 0.463
141 HE2 LYS 18 HE2 LYS 18 -6.635 -4.505 0.624
142 HE3 LYS 18 HE3 LYS 18 -7.323 -6.125 0.404
143 HZ1 LYS 18 HZ1 LYS 18 -7.098 -5.683 2.748
144 HZ2 LYS 18 HZ2 LYS 18 -5.459 -5.275 2.563
145 HZ3 LYS 18 HZ3 LYS 18 -5.973 -6.875 2.308
146 H SER 19 H SER 19 -3.667 -1.330 -2.272
147 HA SER 19 HA SER 19 -0.931 -1.804 -2.877
148 HB2 SER 19 HB2 SER 19 -3.065 0.132 -3.693
149 HB3 SER 19 HB3 SER 19 -1.415 0.455 -4.220
150 HG SER 19 HG SER 19 -2.739 -0.910 -5.634
151 H LYS 20 H LYS 20 -2.466 0.808 -1.014
152 HA LYS 20 HA LYS 20 -0.065 2.426 -0.752
153 HB2 LYS 20 HB2 LYS 20 -2.530 3.097 -0.556
154 HB3 LYS 20 HB3 LYS 20 -2.507 2.348 1.041
155 HG2 LYS 20 HG2 LYS 20 -0.520 3.832 1.588
156 HG3 LYS 20 HG3 LYS 20 -0.849 4.693 0.083
157 HD2 LYS 20 HD2 LYS 20 -3.188 4.276 1.860
158 HD3 LYS 20 HD3 LYS 20 -1.955 5.381 2.468
159 HE2 LYS 20 HE2 LYS 20 -2.909 5.656 -0.379
160 HE3 LYS 20 HE3 LYS 20 -3.865 6.348 0.946
161 HZ1 LYS 20 HZ1 LYS 20 -0.959 6.810 0.500
162 HZ2 LYS 20 HZ2 LYS 20 -1.892 7.477 1.754
163 HZ3 LYS 20 HZ3 LYS 20 -2.190 7.920 0.141
164 H ILE 21 H ILE 21 -1.759 0.118 1.402
165 HA ILE 21 HA ILE 21 0.074 0.310 3.605
166 HB ILE 21 HB ILE 21 -1.850 -1.818 2.624
167 HG12 ILE 21 HG12 ILE 21 -2.870 0.318 3.303
168 HG13 ILE 21 HG13 ILE 21 -3.261 -0.944 4.470
169 HG21 ILE 21 HG21 ILE 21 -0.207 -2.935 4.022
170 HG22 ILE 21 HG22 ILE 21 -1.693 -2.739 4.952
171 HG23 ILE 21 HG23 ILE 21 -0.323 -1.665 5.242
172 HD11 ILE 21 HD11 ILE 21 -1.254 1.298 4.749
173 HD12 ILE 21 HD12 ILE 21 -1.210 -0.124 5.791
174 HD13 ILE 21 HD13 ILE 21 -2.627 0.925 5.791
175 H GLN 22 H GLN 22 -0.003 -1.754 0.730
176 HA GLN 22 HA GLN 22 2.294 -3.371 1.563
177 HB2 GLN 22 HB2 GLN 22 0.737 -3.012 -1.017
178 HB3 GLN 22 HB3 GLN 22 2.039 -4.189 -0.828
179 HG2 GLN 22 HG2 GLN 22 0.629 -4.832 1.353
180 HG3 GLN 22 HG3 GLN 22 -0.690 -4.170 0.388
181 HE21 GLN 22 HE21 GLN 22 2.080 -6.463 0.015
182 HE22 GLN 22 HE22 GLN 22 1.238 -7.530 -1.001
183 H GLY 23 H GLY 23 1.732 -0.614 -0.636
184 HA2 GLY 23 HA2 GLY 23 4.354 -0.498 -1.769
185 HA3 GLY 23 HA3 GLY 23 3.248 0.872 -1.641
186 H LEU 24 H LEU 24 2.969 0.958 1.177
187 HA LEU 24 HA LEU 24 5.247 2.496 1.975
188 HB2 LEU 24 HB2 LEU 24 2.730 2.243 2.824
189 HB3 LEU 24 HB3 LEU 24 3.474 1.122 3.964
190 HG LEU 24 HG LEU 24 5.213 3.104 4.264
191 HD11 LEU 24 HD11 LEU 24 3.858 4.362 2.411
192 HD12 LEU 24 HD12 LEU 24 4.393 5.259 3.832
193 HD13 LEU 24 HD13 LEU 24 2.723 4.705 3.717
194 HD21 LEU 24 HD21 LEU 24 3.716 3.995 6.095
195 HD22 LEU 24 HD22 LEU 24 3.879 2.238 6.091
196 HD23 LEU 24 HD23 LEU 24 2.420 2.992 5.444
197 H LEU 25 H LEU 25 4.516 -0.941 2.231
198 HA LEU 25 HA LEU 25 6.609 -1.544 4.178
199 HB2 LEU 25 HB2 LEU 25 4.402 -2.780 3.653
200 HB3 LEU 25 HB3 LEU 25 5.245 -3.436 2.250
201 HG LEU 25 HG LEU 25 6.904 -3.675 4.611
202 HD11 LEU 25 HD11 LEU 25 4.606 -3.695 5.691
203 HD12 LEU 25 HD12 LEU 25 5.560 -5.158 5.941
204 HD13 LEU 25 HD13 LEU 25 4.259 -5.146 4.749
205 HD21 LEU 25 HD21 LEU 25 7.176 -5.886 3.813
206 HD22 LEU 25 HD22 LEU 25 6.872 -4.948 2.350
207 HD23 LEU 25 HD23 LEU 25 5.577 -5.907 3.069
208 H GLN 26 H GLN 26 6.306 -1.581 0.630
209 HA GLN 26 HA GLN 26 8.647 -3.035 -0.055
210 HB2 GLN 26 HB2 GLN 26 6.728 -2.131 -1.502
211 HB3 GLN 26 HB3 GLN 26 7.583 -0.589 -1.492
212 HG2 GLN 26 HG2 GLN 26 8.719 -1.381 -3.283
213 HG3 GLN 26 HG3 GLN 26 9.583 -2.400 -2.133
214 HE21 GLN 26 HE21 GLN 26 9.672 -4.476 -3.037
215 HE22 GLN 26 HE22 GLN 26 8.359 -5.275 -3.755
216 H GLN 27 H GLN 27 8.281 0.525 0.339
217 HA GLN 27 HA GLN 27 11.083 1.105 0.026
218 HB2 GLN 27 HB2 GLN 27 10.418 3.317 0.894
219 HB3 GLN 27 HB3 GLN 27 9.240 2.731 -0.276
220 HG2 GLN 27 HG2 GLN 27 8.158 1.712 1.981
221 HG3 GLN 27 HG3 GLN 27 8.960 3.126 2.660
222 HE21 GLN 27 HE21 GLN 27 7.015 4.371 3.007
223 HE22 GLN 27 HE22 GLN 27 6.057 4.935 1.724
224 H ALA 28 H ALA 28 9.149 0.116 2.784
225 HA ALA 28 HA ALA 28 11.004 0.872 4.862
226 HB1 ALA 28 HB1 ALA 28 9.554 -0.442 6.251
227 HB2 ALA 28 HB2 ALA 28 9.020 -1.413 4.879
228 HB3 ALA 28 HB3 ALA 28 8.521 0.273 5.014
229 H SER 29 H SER 29 10.736 -1.911 2.733
230 HA SER 29 HA SER 29 12.386 -3.780 4.129
231 HB2 SER 29 HB2 SER 29 10.903 -4.193 2.145
232 HB3 SER 29 HB3 SER 29 12.065 -3.334 1.140
233 HG SER 29 HG SER 29 12.420 -5.746 2.593
234 H LYS 30 H LYS 30 13.232 -1.304 1.674
235 HA LYS 30 HA LYS 30 16.072 -1.882 1.680
236 HB2 LYS 30 HB2 LYS 30 14.346 0.455 0.825
237 HB3 LYS 30 HB3 LYS 30 16.095 0.451 0.600
238 HG2 LYS 30 HG2 LYS 30 15.970 -1.546 -0.777
239 HG3 LYS 30 HG3 LYS 30 14.245 -1.711 -0.451
240 HD2 LYS 30 HD2 LYS 30 15.466 0.716 -1.796
241 HD3 LYS 30 HD3 LYS 30 14.788 -0.651 -2.682
242 HE2 LYS 30 HE2 LYS 30 12.588 -0.257 -1.788
243 HE3 LYS 30 HE3 LYS 30 13.212 0.912 -0.609
244 HZ1 LYS 30 HZ1 LYS 30 13.976 2.305 -2.430
245 HZ2 LYS 30 HZ2 LYS 30 12.304 2.030 -2.565
246 HZ3 LYS 30 HZ3 LYS 30 13.389 1.189 -3.566
247 H GLN 31 H GLN 31 14.006 0.389 3.488
248 HA GLN 31 HA GLN 31 16.155 1.862 4.738
249 HB2 GLN 31 HB2 GLN 31 13.492 2.170 4.466
250 HB3 GLN 31 HB3 GLN 31 13.517 1.476 6.088
251 HG2 GLN 31 HG2 GLN 31 15.308 3.787 5.320
252 HG3 GLN 31 HG3 GLN 31 13.669 4.040 5.920
253 HE21 GLN 31 HE21 GLN 31 16.865 3.765 6.952
254 HE22 GLN 31 HE22 GLN 31 16.578 3.337 8.569
255 H ALA 32 H ALA 32 14.436 -1.132 5.585
256 HA ALA 32 HA ALA 32 15.652 -1.281 8.260
257 HB1 ALA 32 HB1 ALA 32 14.466 -3.562 8.134
258 HB2 ALA 32 HB2 ALA 32 13.870 -3.034 6.560
259 HB3 ALA 32 HB3 ALA 32 13.443 -2.131 8.013
260 H GLN 33 H GLN 33 15.936 -3.166 5.204
261 HA GLN 33 HA GLN 33 18.318 -4.559 6.309
262 HB2 GLN 33 HB2 GLN 33 16.211 -5.048 4.369
263 HB3 GLN 33 HB3 GLN 33 17.795 -5.375 3.667
264 HG2 GLN 33 HG2 GLN 33 17.234 -7.423 4.686
265 HG3 GLN 33 HG3 GLN 33 18.266 -6.650 5.888
266 HE21 GLN 33 HE21 GLN 33 15.289 -8.202 5.517
267 HE22 GLN 33 HE22 GLN 33 14.520 -7.613 6.912
268 H ASP 34 H ASP 34 17.483 -2.678 3.360
269 HA ASP 34 HA ASP 34 18.840 -1.395 1.919
270 HB2 ASP 34 HB2 ASP 34 19.181 -0.433 4.319
271 HB3 ASP 34 HB3 ASP 34 20.760 -1.213 4.242
272 H ILE 35 H ILE 35 19.302 -4.349 2.068
273 HA ILE 35 HA ILE 35 21.896 -4.397 0.671
274 HB ILE 35 HB ILE 35 22.307 -4.501 3.178
275 HG12 ILE 35 HG12 ILE 35 23.188 -7.122 2.045
276 HG13 ILE 35 HG13 ILE 35 23.668 -5.659 1.185
277 HG21 ILE 35 HG21 ILE 35 20.185 -6.139 3.307
278 HG22 ILE 35 HG22 ILE 35 21.497 -6.212 4.483
279 HG23 ILE 35 HG23 ILE 35 21.450 -7.358 3.143
280 HD11 ILE 35 HD11 ILE 35 24.369 -4.798 3.552
281 HD12 ILE 35 HD12 ILE 35 25.422 -5.937 2.714
282 HD13 ILE 35 HD13 ILE 35 24.346 -6.506 3.991
283 H GLN 36 H GLN 36 19.117 -5.027 -0.074
284 HA GLN 36 HA GLN 36 19.535 -7.844 -0.957
285 HB2 GLN 36 HB2 GLN 36 17.816 -6.986 1.146
286 HB3 GLN 36 HB3 GLN 36 16.783 -7.433 -0.210
287 HG2 GLN 36 HG2 GLN 36 17.042 -9.521 0.724
288 HG3 GLN 36 HG3 GLN 36 18.474 -9.513 -0.304
289 HE21 GLN 36 HE21 GLN 36 17.792 -7.965 2.899
290 HE22 GLN 36 HE22 GLN 36 19.151 -8.631 3.666
291 HA PRO 37 HA PRO 37 17.878 -6.146 -4.687
292 HB2 PRO 37 HB2 PRO 37 17.111 -8.455 -5.943
293 HB3 PRO 37 HB3 PRO 37 18.809 -7.966 -5.771
294 HG2 PRO 37 HG2 PRO 37 17.254 -9.977 -4.237
295 HG3 PRO 37 HG3 PRO 37 18.953 -9.996 -4.729
296 HD2 PRO 37 HD2 PRO 37 18.070 -9.383 -2.198
297 HD3 PRO 37 HD3 PRO 37 19.629 -8.866 -2.875
298 H ALA 38 H ALA 38 15.997 -5.038 -3.920
299 HA ALA 38 HA ALA 38 13.468 -6.646 -3.754
300 HB1 ALA 38 HB1 ALA 38 14.461 -4.077 -2.515
301 HB2 ALA 38 HB2 ALA 38 13.881 -5.533 -1.706
302 HB3 ALA 38 HB3 ALA 38 12.743 -4.470 -2.532
303 H MET 39 H MET 39 14.913 -5.309 -6.208
304 HA MET 39 HA MET 39 13.261 -3.117 -7.088
305 HB2 MET 39 HB2 MET 39 15.166 -5.087 -8.333
306 HB3 MET 39 HB3 MET 39 14.240 -4.000 -9.368
307 HG2 MET 39 HG2 MET 39 16.037 -2.622 -8.992
308 HG3 MET 39 HG3 MET 39 15.109 -2.211 -7.551
309 HE1 MET 39 HE1 MET 39 18.014 -4.331 -9.067
310 HE2 MET 39 HE2 MET 39 19.205 -3.897 -7.844
311 HE3 MET 39 HE3 MET 39 18.344 -2.629 -8.715
312 H GLN 40 H GLN 40 13.172 -6.624 -7.848
313 HA GLN 40 HA GLN 40 10.370 -6.234 -8.859
314 HB2 GLN 40 HB2 GLN 40 12.668 -8.003 -9.721
315 HB3 GLN 40 HB3 GLN 40 11.008 -8.351 -10.205
316 HG2 GLN 40 HG2 GLN 40 10.804 -6.292 -11.380
317 HG3 GLN 40 HG3 GLN 40 12.260 -5.635 -10.633
318 HE21 GLN 40 HE21 GLN 40 11.073 -7.759 -13.186
319 HE22 GLN 40 HE22 GLN 40 12.583 -8.030 -13.913
Start of MODEL 15
1 HA ALA 1 HA ALA 1 -29.237 1.774 1.708
2 HB1 ALA 1 HB1 ALA 1 -31.012 0.139 0.974
3 HB2 ALA 1 HB2 ALA 1 -31.989 1.511 0.452
4 HB3 ALA 1 HB3 ALA 1 -31.584 1.315 2.157
5 H SER 2 H SER 2 -27.645 1.098 0.324
6 HA SER 2 HA SER 2 -28.244 0.923 -2.602
7 HB2 SER 2 HB2 SER 2 -26.145 2.512 -1.155
8 HB3 SER 2 HB3 SER 2 -25.777 1.872 -2.754
9 HG SER 2 HG SER 2 -26.705 3.916 -2.945
10 H ARG 3 H ARG 3 -27.479 -0.985 -3.453
11 HA ARG 3 HA ARG 3 -25.628 -2.626 -1.760
12 HB2 ARG 3 HB2 ARG 3 -27.885 -3.173 -3.662
13 HB3 ARG 3 HB3 ARG 3 -26.641 -4.406 -3.457
14 HG2 ARG 3 HG2 ARG 3 -28.049 -3.122 -1.107
15 HG3 ARG 3 HG3 ARG 3 -28.658 -4.580 -1.890
16 HD2 ARG 3 HD2 ARG 3 -25.853 -4.951 -1.413
17 HD3 ARG 3 HD3 ARG 3 -26.610 -4.400 0.095
18 HE ARG 3 HE ARG 3 -28.184 -6.277 -0.073
19 HH11 ARG 3 HH11 ARG 3 -25.462 -7.573 -0.249
20 HH12 ARG 3 HH12 ARG 3 -25.664 -8.638 -1.599
21 HH21 ARG 3 HH21 ARG 3 -28.537 -7.053 -2.751
22 HH22 ARG 3 HH22 ARG 3 -27.413 -8.344 -3.021
23 H ALA 4 H ALA 4 -26.386 -2.126 -5.238
24 HA ALA 4 HA ALA 4 -23.983 -3.160 -6.321
25 HB1 ALA 4 HB1 ALA 4 -25.980 -2.627 -7.628
26 HB2 ALA 4 HB2 ALA 4 -24.615 -1.712 -8.272
27 HB3 ALA 4 HB3 ALA 4 -25.807 -0.913 -7.246
28 H ALA 5 H ALA 5 -24.754 0.256 -5.503
29 HA ALA 5 HA ALA 5 -22.180 1.338 -6.161
30 HB1 ALA 5 HB1 ALA 5 -24.242 2.246 -4.123
31 HB2 ALA 5 HB2 ALA 5 -24.302 2.605 -5.849
32 HB3 ALA 5 HB3 ALA 5 -22.998 3.258 -4.857
33 H LEU 6 H LEU 6 -23.493 0.007 -3.115
34 HA LEU 6 HA LEU 6 -21.339 0.709 -1.379
35 HB2 LEU 6 HB2 LEU 6 -23.614 -0.191 -0.781
36 HB3 LEU 6 HB3 LEU 6 -23.087 -1.777 -1.345
37 HG LEU 6 HG LEU 6 -21.167 -0.582 0.506
38 HD11 LEU 6 HD11 LEU 6 -23.936 -1.218 1.570
39 HD12 LEU 6 HD12 LEU 6 -23.285 0.413 1.400
40 HD13 LEU 6 HD13 LEU 6 -22.532 -0.725 2.517
41 HD21 LEU 6 HD21 LEU 6 -22.791 -3.147 0.473
42 HD22 LEU 6 HD22 LEU 6 -21.476 -2.810 1.598
43 HD23 LEU 6 HD23 LEU 6 -21.146 -2.942 -0.129
44 H ILE 7 H ILE 7 -21.871 -2.291 -3.284
45 HA ILE 7 HA ILE 7 -19.343 -3.499 -2.528
46 HB ILE 7 HB ILE 7 -21.334 -3.964 -4.775
47 HG12 ILE 7 HG12 ILE 7 -20.810 -5.694 -2.354
48 HG13 ILE 7 HG13 ILE 7 -21.921 -4.328 -2.271
49 HG21 ILE 7 HG21 ILE 7 -18.787 -5.387 -4.036
50 HG22 ILE 7 HG22 ILE 7 -19.408 -4.980 -5.637
51 HG23 ILE 7 HG23 ILE 7 -20.135 -6.298 -4.718
52 HD11 ILE 7 HD11 ILE 7 -23.471 -5.830 -2.991
53 HD12 ILE 7 HD12 ILE 7 -22.245 -6.938 -3.609
54 HD13 ILE 7 HD13 ILE 7 -22.750 -5.552 -4.577
55 H GLU 8 H GLU 8 -20.430 -1.567 -5.329
56 HA GLU 8 HA GLU 8 -18.068 -1.816 -6.930
57 HB2 GLU 8 HB2 GLU 8 -20.495 -0.805 -7.306
58 HB3 GLU 8 HB3 GLU 8 -19.707 0.699 -6.829
59 HG2 GLU 8 HG2 GLU 8 -19.021 0.877 -8.973
60 HG3 GLU 8 HG3 GLU 8 -17.918 -0.455 -8.634
61 H GLU 9 H GLU 9 -19.020 0.704 -4.557
62 HA GLU 9 HA GLU 9 -16.624 2.272 -4.783
63 HB2 GLU 9 HB2 GLU 9 -18.813 1.905 -2.739
64 HB3 GLU 9 HB3 GLU 9 -17.458 2.987 -2.412
65 HG2 GLU 9 HG2 GLU 9 -17.936 4.225 -4.491
66 HG3 GLU 9 HG3 GLU 9 -19.288 3.144 -4.827
67 H GLY 10 H GLY 10 -17.484 -0.494 -2.694
68 HA2 GLY 10 HA2 GLY 10 -15.183 -0.364 -0.990
69 HA3 GLY 10 HA3 GLY 10 -16.151 -1.809 -1.274
70 H GLN 11 H GLN 11 -15.790 -2.121 -4.041
71 HA GLN 11 HA GLN 11 -13.299 -3.509 -4.196
72 HB2 GLN 11 HB2 GLN 11 -15.608 -2.891 -5.838
73 HB3 GLN 11 HB3 GLN 11 -14.137 -2.780 -6.803
74 HG2 GLN 11 HG2 GLN 11 -14.578 -5.047 -6.996
75 HG3 GLN 11 HG3 GLN 11 -13.549 -5.054 -5.564
76 HE21 GLN 11 HE21 GLN 11 -14.867 -4.799 -3.396
77 HE22 GLN 11 HE22 GLN 11 -16.337 -5.641 -3.317
78 H ARG 12 H ARG 12 -14.232 -0.243 -5.314
79 HA ARG 12 HA ARG 12 -11.745 0.402 -6.611
80 HB2 ARG 12 HB2 ARG 12 -14.241 1.690 -5.771
81 HB3 ARG 12 HB3 ARG 12 -12.857 2.776 -5.656
82 HG2 ARG 12 HG2 ARG 12 -13.360 1.098 -8.119
83 HG3 ARG 12 HG3 ARG 12 -14.082 2.694 -7.919
84 HD2 ARG 12 HD2 ARG 12 -11.151 2.504 -7.387
85 HD3 ARG 12 HD3 ARG 12 -11.667 2.360 -9.079
86 HE ARG 12 HE ARG 12 -13.086 4.500 -8.492
87 HH11 ARG 12 HH11 ARG 12 -10.353 5.100 -9.472
88 HH12 ARG 12 HH12 ARG 12 -9.702 6.097 -8.214
89 HH21 ARG 12 HH21 ARG 12 -12.105 5.167 -5.879
90 HH22 ARG 12 HH22 ARG 12 -10.699 6.135 -6.170
91 H ILE 13 H ILE 13 -12.907 0.870 -3.263
92 HA ILE 13 HA ILE 13 -10.493 2.274 -2.399
93 HB ILE 13 HB ILE 13 -12.800 0.933 -0.944
94 HG12 ILE 13 HG12 ILE 13 -13.461 2.855 -2.326
95 HG13 ILE 13 HG13 ILE 13 -13.559 3.280 -0.620
96 HG21 ILE 13 HG21 ILE 13 -11.980 2.526 0.937
97 HG22 ILE 13 HG22 ILE 13 -10.453 2.541 0.057
98 HG23 ILE 13 HG23 ILE 13 -11.094 1.022 0.683
99 HD11 ILE 13 HD11 ILE 13 -11.057 4.079 -1.020
100 HD12 ILE 13 HD12 ILE 13 -12.415 5.125 -1.434
101 HD13 ILE 13 HD13 ILE 13 -11.602 4.196 -2.693
102 H ALA 14 H ALA 14 -11.736 -1.070 -2.162
103 HA ALA 14 HA ALA 14 -9.770 -2.213 -0.480
104 HB1 ALA 14 HB1 ALA 14 -10.356 -4.305 -1.808
105 HB2 ALA 14 HB2 ALA 14 -11.301 -3.269 -2.876
106 HB3 ALA 14 HB3 ALA 14 -11.744 -3.417 -1.176
107 H GLU 15 H GLU 15 -9.668 -1.669 -4.020
108 HA GLU 15 HA GLU 15 -7.062 -2.894 -4.391
109 HB2 GLU 15 HB2 GLU 15 -9.019 -2.370 -6.047
110 HB3 GLU 15 HB3 GLU 15 -8.289 -0.768 -6.148
111 HG2 GLU 15 HG2 GLU 15 -6.605 -3.239 -6.516
112 HG3 GLU 15 HG3 GLU 15 -7.533 -2.580 -7.862
113 H MET 16 H MET 16 -8.154 0.528 -4.242
114 HA MET 16 HA MET 16 -5.614 1.780 -4.459
115 HB2 MET 16 HB2 MET 16 -7.937 2.795 -4.537
116 HB3 MET 16 HB3 MET 16 -7.981 2.670 -2.779
117 HG2 MET 16 HG2 MET 16 -6.773 4.556 -2.573
118 HG3 MET 16 HG3 MET 16 -5.497 3.888 -3.590
119 HE1 MET 16 HE1 MET 16 -9.093 5.528 -3.668
120 HE2 MET 16 HE2 MET 16 -8.623 6.982 -4.545
121 HE3 MET 16 HE3 MET 16 -7.804 6.565 -3.041
122 H LEU 17 H LEU 17 -7.331 0.554 -1.571
123 HA LEU 17 HA LEU 17 -5.337 1.469 0.329
124 HB2 LEU 17 HB2 LEU 17 -7.800 -0.177 0.260
125 HB3 LEU 17 HB3 LEU 17 -6.670 -0.592 1.547
126 HG LEU 17 HG LEU 17 -8.321 1.128 2.262
127 HD11 LEU 17 HD11 LEU 17 -5.814 1.001 3.003
128 HD12 LEU 17 HD12 LEU 17 -6.767 2.419 3.440
129 HD13 LEU 17 HD13 LEU 17 -5.647 2.494 2.079
130 HD21 LEU 17 HD21 LEU 17 -8.473 2.177 -0.049
131 HD22 LEU 17 HD22 LEU 17 -6.928 2.956 0.287
132 HD23 LEU 17 HD23 LEU 17 -8.336 3.323 1.283
133 H LYS 18 H LYS 18 -5.906 -1.573 -1.403
134 HA LYS 18 HA LYS 18 -3.970 -3.203 -0.069
135 HB2 LYS 18 HB2 LYS 18 -5.635 -3.223 -2.467
136 HB3 LYS 18 HB3 LYS 18 -4.079 -3.996 -2.759
137 HG2 LYS 18 HG2 LYS 18 -5.509 -4.673 -0.225
138 HG3 LYS 18 HG3 LYS 18 -6.129 -5.357 -1.729
139 HD2 LYS 18 HD2 LYS 18 -4.310 -6.707 -2.022
140 HD3 LYS 18 HD3 LYS 18 -3.189 -5.503 -1.389
141 HE2 LYS 18 HE2 LYS 18 -3.117 -6.716 0.529
142 HE3 LYS 18 HE3 LYS 18 -4.805 -6.246 0.809
143 HZ1 LYS 18 HZ1 LYS 18 -3.892 -8.556 -0.828
144 HZ2 LYS 18 HZ2 LYS 18 -5.510 -8.085 -0.608
145 HZ3 LYS 18 HZ3 LYS 18 -4.601 -8.654 0.710
146 H SER 19 H SER 19 -3.673 -1.308 -3.102
147 HA SER 19 HA SER 19 -0.927 -1.845 -3.619
148 HB2 SER 19 HB2 SER 19 -2.880 0.347 -4.279
149 HB3 SER 19 HB3 SER 19 -1.199 0.492 -4.786
150 HG SER 19 HG SER 19 -3.199 -1.193 -5.675
151 H LYS 20 H LYS 20 -2.451 0.607 -1.529
152 HA LYS 20 HA LYS 20 -0.069 2.134 -0.986
153 HB2 LYS 20 HB2 LYS 20 -2.809 2.149 -0.330
154 HB3 LYS 20 HB3 LYS 20 -1.968 2.010 1.215
155 HG2 LYS 20 HG2 LYS 20 -2.152 4.354 0.782
156 HG3 LYS 20 HG3 LYS 20 -0.478 3.928 0.428
157 HD2 LYS 20 HD2 LYS 20 -0.980 5.120 -1.489
158 HD3 LYS 20 HD3 LYS 20 -1.474 3.508 -2.009
159 HE2 LYS 20 HE2 LYS 20 -3.808 3.999 -1.381
160 HE3 LYS 20 HE3 LYS 20 -3.324 5.614 -0.825
161 HZ1 LYS 20 HZ1 LYS 20 -4.108 5.667 -3.129
162 HZ2 LYS 20 HZ2 LYS 20 -2.912 4.544 -3.573
163 HZ3 LYS 20 HZ3 LYS 20 -2.468 6.093 -3.030
164 H ILE 21 H ILE 21 -1.534 -0.713 0.580
165 HA ILE 21 HA ILE 21 0.299 -0.838 2.809
166 HB ILE 21 HB ILE 21 -1.483 -2.857 1.410
167 HG12 ILE 21 HG12 ILE 21 -1.936 -1.711 4.149
168 HG13 ILE 21 HG13 ILE 21 -2.318 -0.722 2.741
169 HG21 ILE 21 HG21 ILE 21 -1.233 -4.235 3.456
170 HG22 ILE 21 HG22 ILE 21 -0.030 -3.098 4.064
171 HG23 ILE 21 HG23 ILE 21 0.304 -4.043 2.614
172 HD11 ILE 21 HD11 ILE 21 -4.331 -1.883 3.223
173 HD12 ILE 21 HD12 ILE 21 -3.480 -3.402 3.507
174 HD13 ILE 21 HD13 ILE 21 -3.620 -2.762 1.870
175 H GLN 22 H GLN 22 0.335 -2.157 -0.470
176 HA GLN 22 HA GLN 22 2.603 -3.917 -0.122
177 HB2 GLN 22 HB2 GLN 22 0.715 -3.612 -1.989
178 HB3 GLN 22 HB3 GLN 22 1.956 -2.607 -2.738
179 HG2 GLN 22 HG2 GLN 22 3.480 -4.400 -2.909
180 HG3 GLN 22 HG3 GLN 22 2.611 -5.368 -1.717
181 HE21 GLN 22 HE21 GLN 22 3.291 -5.695 -4.786
182 HE22 GLN 22 HE22 GLN 22 1.810 -6.209 -5.438
183 H GLY 23 H GLY 23 2.272 -0.554 -1.311
184 HA2 GLY 23 HA2 GLY 23 5.037 -0.161 -1.953
185 HA3 GLY 23 HA3 GLY 23 3.885 1.129 -1.605
186 H LEU 24 H LEU 24 3.171 0.497 1.022
187 HA LEU 24 HA LEU 24 5.258 1.668 2.570
188 HB2 LEU 24 HB2 LEU 24 2.714 0.154 3.093
189 HB3 LEU 24 HB3 LEU 24 3.770 0.537 4.452
190 HG LEU 24 HG LEU 24 2.889 2.639 2.463
191 HD11 LEU 24 HD11 LEU 24 0.897 1.596 3.533
192 HD12 LEU 24 HD12 LEU 24 1.132 3.266 4.050
193 HD13 LEU 24 HD13 LEU 24 1.593 1.940 5.117
194 HD21 LEU 24 HD21 LEU 24 4.802 3.279 3.794
195 HD22 LEU 24 HD22 LEU 24 4.045 2.675 5.267
196 HD23 LEU 24 HD23 LEU 24 3.399 4.107 4.466
197 H LEU 25 H LEU 25 4.389 -1.757 2.042
198 HA LEU 25 HA LEU 25 6.180 -2.904 3.969
199 HB2 LEU 25 HB2 LEU 25 4.205 -3.851 2.490
200 HB3 LEU 25 HB3 LEU 25 5.499 -4.210 1.346
201 HG LEU 25 HG LEU 25 6.714 -5.321 3.322
202 HD11 LEU 25 HD11 LEU 25 5.308 -6.053 5.175
203 HD12 LEU 25 HD12 LEU 25 3.899 -5.272 4.456
204 HD13 LEU 25 HD13 LEU 25 5.237 -4.295 5.061
205 HD21 LEU 25 HD21 LEU 25 5.549 -7.416 2.960
206 HD22 LEU 25 HD22 LEU 25 5.530 -6.518 1.443
207 HD23 LEU 25 HD23 LEU 25 4.087 -6.569 2.455
208 H GLN 26 H GLN 26 6.584 -2.311 0.452
209 HA GLN 26 HA GLN 26 9.299 -3.252 0.288
210 HB2 GLN 26 HB2 GLN 26 7.312 -1.801 -1.337
211 HB3 GLN 26 HB3 GLN 26 8.977 -1.351 -1.702
212 HG2 GLN 26 HG2 GLN 26 9.094 -3.218 -2.964
213 HG3 GLN 26 HG3 GLN 26 9.057 -4.136 -1.459
214 HE21 GLN 26 HE21 GLN 26 7.173 -5.373 -1.019
215 HE22 GLN 26 HE22 GLN 26 5.790 -5.360 -2.002
216 H GLN 27 H GLN 27 7.900 0.001 0.796
217 HA GLN 27 HA GLN 27 10.383 1.444 0.851
218 HB2 GLN 27 HB2 GLN 27 7.537 1.838 1.602
219 HB3 GLN 27 HB3 GLN 27 8.689 2.899 2.412
220 HG2 GLN 27 HG2 GLN 27 8.944 4.133 0.546
221 HG3 GLN 27 HG3 GLN 27 9.356 2.698 -0.392
222 HE21 GLN 27 HE21 GLN 27 6.375 4.168 1.062
223 HE22 GLN 27 HE22 GLN 27 5.390 3.829 -0.277
224 H ALA 28 H ALA 28 8.513 -0.200 3.381
225 HA ALA 28 HA ALA 28 10.023 0.704 5.647
226 HB1 ALA 28 HB1 ALA 28 8.427 -1.816 5.093
227 HB2 ALA 28 HB2 ALA 28 7.827 -0.332 5.833
228 HB3 ALA 28 HB3 ALA 28 8.990 -1.340 6.695
229 H SER 29 H SER 29 10.349 -2.182 3.584
230 HA SER 29 HA SER 29 12.516 -3.429 4.967
231 HB2 SER 29 HB2 SER 29 11.449 -3.425 2.147
232 HB3 SER 29 HB3 SER 29 12.896 -4.347 2.544
233 HG SER 29 HG SER 29 10.262 -4.792 3.198
234 H LYS 30 H LYS 30 12.494 -1.025 2.320
235 HA LYS 30 HA LYS 30 15.340 -0.909 1.923
236 HB2 LYS 30 HB2 LYS 30 13.268 -0.019 0.564
237 HB3 LYS 30 HB3 LYS 30 13.476 1.427 1.552
238 HG2 LYS 30 HG2 LYS 30 15.931 1.393 0.848
239 HG3 LYS 30 HG3 LYS 30 15.474 0.179 -0.348
240 HD2 LYS 30 HD2 LYS 30 14.711 1.782 -1.725
241 HD3 LYS 30 HD3 LYS 30 13.599 2.351 -0.480
242 HE2 LYS 30 HE2 LYS 30 15.562 3.620 0.542
243 HE3 LYS 30 HE3 LYS 30 16.466 3.235 -0.937
244 HZ1 LYS 30 HZ1 LYS 30 15.297 5.346 -1.161
245 HZ2 LYS 30 HZ2 LYS 30 13.815 4.586 -0.829
246 HZ3 LYS 30 HZ3 LYS 30 14.674 4.202 -2.246
247 H GLN 31 H GLN 31 13.130 0.879 4.076
248 HA GLN 31 HA GLN 31 15.026 2.800 5.061
249 HB2 GLN 31 HB2 GLN 31 12.409 2.566 5.229
250 HB3 GLN 31 HB3 GLN 31 12.769 1.650 6.694
251 HG2 GLN 31 HG2 GLN 31 14.299 4.147 6.505
252 HG3 GLN 31 HG3 GLN 31 12.556 4.409 6.541
253 HE21 GLN 31 HE21 GLN 31 15.269 2.990 8.372
254 HE22 GLN 31 HE22 GLN 31 14.437 2.898 9.849
255 H ALA 32 H ALA 32 14.215 -0.513 6.090
256 HA ALA 32 HA ALA 32 15.805 -0.444 8.525
257 HB1 ALA 32 HB1 ALA 32 15.411 -2.938 8.363
258 HB2 ALA 32 HB2 ALA 32 14.652 -2.655 6.796
259 HB3 ALA 32 HB3 ALA 32 13.941 -1.969 8.257
260 H GLN 33 H GLN 33 16.416 -1.436 5.165
261 HA GLN 33 HA GLN 33 19.056 -2.565 5.777
262 HB2 GLN 33 HB2 GLN 33 17.124 -2.641 3.702
263 HB3 GLN 33 HB3 GLN 33 18.586 -1.960 2.990
264 HG2 GLN 33 HG2 GLN 33 19.776 -3.898 3.241
265 HG3 GLN 33 HG3 GLN 33 18.991 -4.302 4.768
266 HE21 GLN 33 HE21 GLN 33 18.032 -6.332 4.416
267 HE22 GLN 33 HE22 GLN 33 17.034 -6.705 3.092
268 H ASP 34 H ASP 34 17.778 0.528 4.591
269 HA ASP 34 HA ASP 34 20.506 1.518 3.974
270 HB2 ASP 34 HB2 ASP 34 18.092 1.861 2.807
271 HB3 ASP 34 HB3 ASP 34 18.100 3.268 3.871
272 H ILE 35 H ILE 35 19.836 0.938 6.815
273 HA ILE 35 HA ILE 35 20.205 3.709 7.897
274 HB ILE 35 HB ILE 35 17.884 2.686 8.180
275 HG12 ILE 35 HG12 ILE 35 19.204 3.108 10.856
276 HG13 ILE 35 HG13 ILE 35 19.086 4.435 9.700
277 HG21 ILE 35 HG21 ILE 35 18.850 1.063 10.454
278 HG22 ILE 35 HG22 ILE 35 19.244 0.412 8.863
279 HG23 ILE 35 HG23 ILE 35 17.564 0.727 9.296
280 HD11 ILE 35 HD11 ILE 35 16.687 4.288 9.652
281 HD12 ILE 35 HD12 ILE 35 17.167 4.290 11.349
282 HD13 ILE 35 HD13 ILE 35 16.704 2.779 10.566
283 H GLN 36 H GLN 36 22.257 1.718 7.234
284 HA GLN 36 HA GLN 36 23.327 1.215 9.993
285 HB2 GLN 36 HB2 GLN 36 23.027 -0.548 7.590
286 HB3 GLN 36 HB3 GLN 36 24.435 -0.792 8.624
287 HG2 GLN 36 HG2 GLN 36 22.700 -0.737 10.579
288 HG3 GLN 36 HG3 GLN 36 21.518 -1.072 9.313
289 HE21 GLN 36 HE21 GLN 36 21.101 -3.290 9.299
290 HE22 GLN 36 HE22 GLN 36 22.282 -4.500 9.448
291 HA PRO 37 HA PRO 37 26.751 3.540 8.433
292 HB2 PRO 37 HB2 PRO 37 28.610 2.836 10.318
293 HB3 PRO 37 HB3 PRO 37 27.293 3.983 10.633
294 HG2 PRO 37 HG2 PRO 37 27.509 1.105 11.361
295 HG3 PRO 37 HG3 PRO 37 26.837 2.457 12.286
296 HD2 PRO 37 HD2 PRO 37 25.304 0.647 10.945
297 HD3 PRO 37 HD3 PRO 37 24.800 2.324 11.251
298 H ALA 38 H ALA 38 27.275 0.109 9.310
299 HA ALA 38 HA ALA 38 29.694 -0.209 7.744
300 HB1 ALA 38 HB1 ALA 38 29.250 -2.613 8.200
301 HB2 ALA 38 HB2 ALA 38 27.640 -2.190 8.783
302 HB3 ALA 38 HB3 ALA 38 29.069 -1.631 9.653
303 H MET 39 H MET 39 26.280 -0.272 6.956
304 HA MET 39 HA MET 39 26.810 -1.587 4.331
305 HB2 MET 39 HB2 MET 39 24.388 -0.944 6.013
306 HB3 MET 39 HB3 MET 39 24.211 -1.394 4.317
307 HG2 MET 39 HG2 MET 39 25.805 -3.389 4.999
308 HG3 MET 39 HG3 MET 39 25.204 -3.041 6.620
309 HE1 MET 39 HE1 MET 39 24.366 -5.146 3.392
310 HE2 MET 39 HE2 MET 39 24.438 -3.422 3.035
311 HE3 MET 39 HE3 MET 39 22.906 -4.281 2.893
312 H GLN 40 H GLN 40 25.300 1.391 5.661
313 HA GLN 40 HA GLN 40 25.610 2.651 2.953
314 HB2 GLN 40 HB2 GLN 40 23.558 2.724 5.126
315 HB3 GLN 40 HB3 GLN 40 23.800 4.200 4.193
316 HG2 GLN 40 HG2 GLN 40 23.392 1.513 2.867
317 HG3 GLN 40 HG3 GLN 40 22.042 2.566 3.291
318 HE21 GLN 40 HE21 GLN 40 22.218 4.887 2.373
319 HE22 GLN 40 HE22 GLN 40 22.928 5.066 0.842
Start of MODEL 16
1 HA ALA 1 HA ALA 1 -27.334 -0.612 6.699
2 HB1 ALA 1 HB1 ALA 1 -25.417 -0.178 8.381
3 HB2 ALA 1 HB2 ALA 1 -26.510 -0.832 9.600
4 HB3 ALA 1 HB3 ALA 1 -26.958 0.618 8.701
5 H SER 2 H SER 2 -25.833 -1.649 5.412
6 HA SER 2 HA SER 2 -24.479 -4.102 6.467
7 HB2 SER 2 HB2 SER 2 -26.659 -4.028 4.688
8 HB3 SER 2 HB3 SER 2 -25.253 -4.322 3.669
9 HG SER 2 HG SER 2 -26.431 -5.907 5.599
10 H ARG 3 H ARG 3 -22.486 -4.604 5.302
11 HA ARG 3 HA ARG 3 -21.192 -2.191 4.157
12 HB2 ARG 3 HB2 ARG 3 -20.314 -4.874 5.219
13 HB3 ARG 3 HB3 ARG 3 -19.189 -3.849 4.329
14 HG2 ARG 3 HG2 ARG 3 -19.101 -2.261 5.987
15 HG3 ARG 3 HG3 ARG 3 -20.769 -2.541 6.490
16 HD2 ARG 3 HD2 ARG 3 -20.195 -4.346 7.860
17 HD3 ARG 3 HD3 ARG 3 -18.715 -4.698 6.943
18 HE ARG 3 HE ARG 3 -17.738 -2.614 7.909
19 HH11 ARG 3 HH11 ARG 3 -20.367 -1.427 8.840
20 HH12 ARG 3 HH12 ARG 3 -20.288 -1.704 10.548
21 HH21 ARG 3 HH21 ARG 3 -17.729 -4.046 10.313
22 HH22 ARG 3 HH22 ARG 3 -18.788 -3.193 11.385
23 H ALA 4 H ALA 4 -23.061 -4.532 2.799
24 HA ALA 4 HA ALA 4 -21.547 -5.666 0.675
25 HB1 ALA 4 HB1 ALA 4 -24.429 -4.722 0.585
26 HB2 ALA 4 HB2 ALA 4 -23.917 -6.173 1.445
27 HB3 ALA 4 HB3 ALA 4 -23.721 -6.069 -0.304
28 H ALA 5 H ALA 5 -23.432 -2.614 0.757
29 HA ALA 5 HA ALA 5 -22.753 -1.773 -1.918
30 HB1 ALA 5 HB1 ALA 5 -24.649 -0.793 -0.900
31 HB2 ALA 5 HB2 ALA 5 -23.449 0.499 -0.841
32 HB3 ALA 5 HB3 ALA 5 -23.782 -0.462 0.601
33 H LEU 6 H LEU 6 -21.193 -1.348 1.244
34 HA LEU 6 HA LEU 6 -19.319 0.698 0.564
35 HB2 LEU 6 HB2 LEU 6 -19.663 -1.435 2.605
36 HB3 LEU 6 HB3 LEU 6 -18.014 -0.857 2.396
37 HG LEU 6 HG LEU 6 -19.083 0.484 4.111
38 HD11 LEU 6 HD11 LEU 6 -18.567 2.617 3.285
39 HD12 LEU 6 HD12 LEU 6 -19.183 2.247 1.673
40 HD13 LEU 6 HD13 LEU 6 -17.652 1.557 2.213
41 HD21 LEU 6 HD21 LEU 6 -21.183 1.201 2.044
42 HD22 LEU 6 HD22 LEU 6 -21.146 1.693 3.738
43 HD23 LEU 6 HD23 LEU 6 -21.428 0.005 3.317
44 H ILE 7 H ILE 7 -19.190 -2.844 0.192
45 HA ILE 7 HA ILE 7 -16.462 -2.909 -0.825
46 HB ILE 7 HB ILE 7 -18.786 -4.864 -0.977
47 HG12 ILE 7 HG12 ILE 7 -16.450 -5.240 0.843
48 HG13 ILE 7 HG13 ILE 7 -17.614 -3.991 1.288
49 HG21 ILE 7 HG21 ILE 7 -17.286 -5.661 -2.588
50 HG22 ILE 7 HG22 ILE 7 -16.739 -6.494 -1.134
51 HG23 ILE 7 HG23 ILE 7 -15.875 -5.070 -1.711
52 HD11 ILE 7 HD11 ILE 7 -18.427 -5.965 2.324
53 HD12 ILE 7 HD12 ILE 7 -18.108 -6.943 0.892
54 HD13 ILE 7 HD13 ILE 7 -19.426 -5.772 0.882
55 H GLU 8 H GLU 8 -19.690 -2.628 -2.268
56 HA GLU 8 HA GLU 8 -19.125 -3.209 -4.982
57 HB2 GLU 8 HB2 GLU 8 -21.337 -2.741 -3.807
58 HB3 GLU 8 HB3 GLU 8 -20.945 -1.025 -3.928
59 HG2 GLU 8 HG2 GLU 8 -20.904 -1.125 -6.337
60 HG3 GLU 8 HG3 GLU 8 -21.025 -2.885 -6.319
61 H GLU 9 H GLU 9 -19.010 -0.018 -3.335
62 HA GLU 9 HA GLU 9 -17.704 1.219 -5.679
63 HB2 GLU 9 HB2 GLU 9 -18.551 2.184 -2.930
64 HB3 GLU 9 HB3 GLU 9 -17.840 3.236 -4.156
65 HG2 GLU 9 HG2 GLU 9 -19.874 1.825 -5.490
66 HG3 GLU 9 HG3 GLU 9 -20.570 2.278 -3.935
67 H GLY 10 H GLY 10 -16.840 0.052 -2.457
68 HA2 GLY 10 HA2 GLY 10 -14.301 1.286 -2.169
69 HA3 GLY 10 HA3 GLY 10 -14.766 -0.237 -1.416
70 H GLN 11 H GLN 11 -15.265 -1.527 -4.096
71 HA GLN 11 HA GLN 11 -12.731 -2.736 -4.503
72 HB2 GLN 11 HB2 GLN 11 -13.773 -3.699 -6.476
73 HB3 GLN 11 HB3 GLN 11 -14.990 -3.579 -5.210
74 HG2 GLN 11 HG2 GLN 11 -16.233 -2.605 -6.856
75 HG3 GLN 11 HG3 GLN 11 -15.316 -1.163 -6.426
76 HE21 GLN 11 HE21 GLN 11 -14.974 -0.193 -8.473
77 HE22 GLN 11 HE22 GLN 11 -14.223 -0.976 -9.778
78 H ARG 12 H ARG 12 -14.080 0.212 -5.925
79 HA ARG 12 HA ARG 12 -12.143 0.515 -8.053
80 HB2 ARG 12 HB2 ARG 12 -14.444 1.819 -7.008
81 HB3 ARG 12 HB3 ARG 12 -13.149 3.015 -6.992
82 HG2 ARG 12 HG2 ARG 12 -13.118 3.170 -9.251
83 HG3 ARG 12 HG3 ARG 12 -13.195 1.421 -9.454
84 HD2 ARG 12 HD2 ARG 12 -15.271 2.039 -10.332
85 HD3 ARG 12 HD3 ARG 12 -15.715 1.793 -8.632
86 HE ARG 12 HE ARG 12 -15.265 4.294 -8.344
87 HH11 ARG 12 HH11 ARG 12 -14.256 4.709 -11.160
88 HH12 ARG 12 HH12 ARG 12 -15.654 5.368 -11.943
89 HH21 ARG 12 HH21 ARG 12 -17.849 4.351 -9.442
90 HH22 ARG 12 HH22 ARG 12 -17.699 5.165 -10.965
91 H ILE 13 H ILE 13 -12.376 1.875 -4.748
92 HA ILE 13 HA ILE 13 -9.786 3.210 -4.884
93 HB ILE 13 HB ILE 13 -11.590 2.448 -2.557
94 HG12 ILE 13 HG12 ILE 13 -11.631 5.237 -3.178
95 HG13 ILE 13 HG13 ILE 13 -11.900 4.355 -4.682
96 HG21 ILE 13 HG21 ILE 13 -9.584 3.021 -1.521
97 HG22 ILE 13 HG22 ILE 13 -10.367 4.597 -1.638
98 HG23 ILE 13 HG23 ILE 13 -9.123 4.141 -2.803
99 HD11 ILE 13 HD11 ILE 13 -13.735 3.109 -3.683
100 HD12 ILE 13 HD12 ILE 13 -14.017 4.830 -3.427
101 HD13 ILE 13 HD13 ILE 13 -13.413 3.831 -2.106
102 H ALA 14 H ALA 14 -10.978 0.083 -3.697
103 HA ALA 14 HA ALA 14 -8.799 -0.800 -2.141
104 HB1 ALA 14 HB1 ALA 14 -10.905 -1.998 -2.338
105 HB2 ALA 14 HB2 ALA 14 -9.611 -3.071 -2.872
106 HB3 ALA 14 HB3 ALA 14 -10.637 -2.265 -4.061
107 H GLU 15 H GLU 15 -9.264 -1.306 -5.680
108 HA GLU 15 HA GLU 15 -6.733 -2.567 -6.145
109 HB2 GLU 15 HB2 GLU 15 -8.672 -0.981 -7.848
110 HB3 GLU 15 HB3 GLU 15 -7.236 -1.743 -8.530
111 HG2 GLU 15 HG2 GLU 15 -8.423 -3.731 -6.937
112 HG3 GLU 15 HG3 GLU 15 -9.766 -2.955 -7.773
113 H MET 16 H MET 16 -7.727 0.867 -6.347
114 HA MET 16 HA MET 16 -5.228 1.917 -7.278
115 HB2 MET 16 HB2 MET 16 -7.601 2.958 -7.084
116 HB3 MET 16 HB3 MET 16 -7.147 3.333 -5.421
117 HG2 MET 16 HG2 MET 16 -4.935 4.205 -6.762
118 HG3 MET 16 HG3 MET 16 -6.194 4.533 -7.951
119 HE1 MET 16 HE1 MET 16 -5.523 6.351 -3.836
120 HE2 MET 16 HE2 MET 16 -4.585 5.136 -4.702
121 HE3 MET 16 HE3 MET 16 -6.084 4.674 -3.901
122 H LEU 17 H LEU 17 -6.509 1.433 -3.965
123 HA LEU 17 HA LEU 17 -4.154 2.519 -2.650
124 HB2 LEU 17 HB2 LEU 17 -6.764 1.467 -1.995
125 HB3 LEU 17 HB3 LEU 17 -5.552 0.744 -0.938
126 HG LEU 17 HG LEU 17 -4.735 3.347 -0.935
127 HD11 LEU 17 HD11 LEU 17 -6.547 4.843 -0.953
128 HD12 LEU 17 HD12 LEU 17 -7.735 3.554 -0.761
129 HD13 LEU 17 HD13 LEU 17 -6.913 3.772 -2.306
130 HD21 LEU 17 HD21 LEU 17 -5.698 3.461 1.291
131 HD22 LEU 17 HD22 LEU 17 -5.170 1.802 1.006
132 HD23 LEU 17 HD23 LEU 17 -6.880 2.215 0.889
133 H LYS 18 H LYS 18 -5.133 -0.678 -3.753
134 HA LYS 18 HA LYS 18 -3.296 -2.298 -2.296
135 HB2 LYS 18 HB2 LYS 18 -5.287 -2.889 -3.838
136 HB3 LYS 18 HB3 LYS 18 -4.138 -2.744 -5.167
137 HG2 LYS 18 HG2 LYS 18 -2.721 -4.469 -4.196
138 HG3 LYS 18 HG3 LYS 18 -3.744 -4.548 -2.761
139 HD2 LYS 18 HD2 LYS 18 -5.069 -6.053 -3.781
140 HD3 LYS 18 HD3 LYS 18 -5.427 -4.878 -5.046
141 HE2 LYS 18 HE2 LYS 18 -4.377 -6.360 -6.435
142 HE3 LYS 18 HE3 LYS 18 -2.878 -5.723 -5.733
143 HZ1 LYS 18 HZ1 LYS 18 -3.144 -7.358 -3.912
144 HZ2 LYS 18 HZ2 LYS 18 -2.915 -8.091 -5.429
145 HZ3 LYS 18 HZ3 LYS 18 -4.466 -8.032 -4.737
146 H SER 19 H SER 19 -2.937 -0.908 -5.596
147 HA SER 19 HA SER 19 -0.227 -1.726 -6.013
148 HB2 SER 19 HB2 SER 19 -1.950 0.536 -7.054
149 HB3 SER 19 HB3 SER 19 -0.323 0.241 -7.663
150 HG SER 19 HG SER 19 -2.666 -1.202 -8.008
151 H LYS 20 H LYS 20 -1.606 1.238 -4.580
152 HA LYS 20 HA LYS 20 0.859 2.670 -4.231
153 HB2 LYS 20 HB2 LYS 20 -1.885 2.696 -2.972
154 HB3 LYS 20 HB3 LYS 20 -0.624 3.785 -2.396
155 HG2 LYS 20 HG2 LYS 20 -0.812 3.758 -5.314
156 HG3 LYS 20 HG3 LYS 20 -2.322 4.258 -4.550
157 HD2 LYS 20 HD2 LYS 20 0.285 5.414 -3.594
158 HD3 LYS 20 HD3 LYS 20 -0.480 6.061 -5.046
159 HE2 LYS 20 HE2 LYS 20 -2.326 5.688 -2.759
160 HE3 LYS 20 HE3 LYS 20 -1.076 6.923 -2.516
161 HZ1 LYS 20 HZ1 LYS 20 -2.884 6.701 -4.870
162 HZ2 LYS 20 HZ2 LYS 20 -1.633 7.840 -4.706
163 HZ3 LYS 20 HZ3 LYS 20 -2.969 7.883 -3.658
164 H ILE 21 H ILE 21 -0.967 0.494 -2.046
165 HA ILE 21 HA ILE 21 0.779 0.726 0.213
166 HB ILE 21 HB ILE 21 -1.242 -1.271 -0.794
167 HG12 ILE 21 HG12 ILE 21 -1.133 0.422 1.721
168 HG13 ILE 21 HG13 ILE 21 -1.903 0.940 0.223
169 HG21 ILE 21 HG21 ILE 21 0.265 -2.724 0.355
170 HG22 ILE 21 HG22 ILE 21 -1.002 -2.349 1.522
171 HG23 ILE 21 HG23 ILE 21 0.560 -1.536 1.624
172 HD11 ILE 21 HD11 ILE 21 -3.523 -0.056 1.843
173 HD12 ILE 21 HD12 ILE 21 -2.637 -1.577 1.746
174 HD13 ILE 21 HD13 ILE 21 -3.454 -0.939 0.319
175 H GLN 22 H GLN 22 0.954 -1.257 -2.701
176 HA GLN 22 HA GLN 22 2.871 -3.194 -1.873
177 HB2 GLN 22 HB2 GLN 22 1.484 -2.915 -4.056
178 HB3 GLN 22 HB3 GLN 22 2.810 -1.886 -4.600
179 HG2 GLN 22 HG2 GLN 22 4.056 -4.165 -3.527
180 HG3 GLN 22 HG3 GLN 22 2.687 -4.785 -4.450
181 HE21 GLN 22 HE21 GLN 22 5.340 -2.352 -4.820
182 HE22 GLN 22 HE22 GLN 22 5.591 -2.670 -6.469
183 H GLY 23 H GLY 23 3.392 0.004 -3.425
184 HA2 GLY 23 HA2 GLY 23 6.274 -0.103 -3.197
185 HA3 GLY 23 HA3 GLY 23 5.324 1.344 -3.544
186 H LEU 24 H LEU 24 3.665 1.231 -1.185
187 HA LEU 24 HA LEU 24 5.304 2.637 0.706
188 HB2 LEU 24 HB2 LEU 24 2.638 2.313 0.203
189 HB3 LEU 24 HB3 LEU 24 2.816 1.296 1.631
190 HG LEU 24 HG LEU 24 2.230 3.634 2.224
191 HD11 LEU 24 HD11 LEU 24 3.775 3.831 4.000
192 HD12 LEU 24 HD12 LEU 24 5.089 3.139 3.050
193 HD13 LEU 24 HD13 LEU 24 3.776 2.109 3.622
194 HD21 LEU 24 HD21 LEU 24 3.544 4.559 0.202
195 HD22 LEU 24 HD22 LEU 24 4.973 4.419 1.227
196 HD23 LEU 24 HD23 LEU 24 3.642 5.470 1.709
197 H LEU 25 H LEU 25 4.092 -0.722 0.616
198 HA LEU 25 HA LEU 25 5.119 -1.556 3.165
199 HB2 LEU 25 HB2 LEU 25 3.387 -2.665 1.681
200 HB3 LEU 25 HB3 LEU 25 4.713 -3.208 0.655
201 HG LEU 25 HG LEU 25 5.432 -3.854 3.326
202 HD11 LEU 25 HD11 LEU 25 2.857 -3.570 3.598
203 HD12 LEU 25 HD12 LEU 25 3.607 -5.041 4.217
204 HD13 LEU 25 HD13 LEU 25 2.752 -5.069 2.674
205 HD21 LEU 25 HD21 LEU 25 5.361 -6.149 2.450
206 HD22 LEU 25 HD22 LEU 25 6.051 -5.063 1.245
207 HD23 LEU 25 HD23 LEU 25 4.383 -5.613 1.084
208 H GLN 26 H GLN 26 6.582 -1.456 -0.086
209 HA GLN 26 HA GLN 26 8.892 -3.035 0.344
210 HB2 GLN 26 HB2 GLN 26 8.072 -1.999 -1.795
211 HB3 GLN 26 HB3 GLN 26 8.649 -0.437 -1.214
212 HG2 GLN 26 HG2 GLN 26 10.898 -1.063 -1.357
213 HG3 GLN 26 HG3 GLN 26 10.528 -2.785 -1.275
214 HE21 GLN 26 HE21 GLN 26 11.838 -3.049 -3.298
215 HE22 GLN 26 HE22 GLN 26 11.152 -2.644 -4.798
216 H GLN 27 H GLN 27 8.389 0.447 1.015
217 HA GLN 27 HA GLN 27 11.046 0.717 2.249
218 HB2 GLN 27 HB2 GLN 27 8.707 2.440 1.552
219 HB3 GLN 27 HB3 GLN 27 9.802 3.024 2.803
220 HG2 GLN 27 HG2 GLN 27 10.817 3.881 0.890
221 HG3 GLN 27 HG3 GLN 27 11.671 2.348 1.071
222 HE21 GLN 27 HE21 GLN 27 8.749 3.699 -0.566
223 HE22 GLN 27 HE22 GLN 27 8.870 2.691 -1.927
224 H ALA 28 H ALA 28 7.702 0.303 3.293
225 HA ALA 28 HA ALA 28 8.057 0.983 6.067
226 HB1 ALA 28 HB1 ALA 28 6.106 -0.933 4.757
227 HB2 ALA 28 HB2 ALA 28 5.900 0.817 4.811
228 HB3 ALA 28 HB3 ALA 28 5.887 -0.120 6.306
229 H SER 29 H SER 29 8.173 -2.134 4.339
230 HA SER 29 HA SER 29 8.628 -3.812 6.616
231 HB2 SER 29 HB2 SER 29 9.111 -3.942 3.654
232 HB3 SER 29 HB3 SER 29 9.772 -5.211 4.680
233 HG SER 29 HG SER 29 7.431 -5.242 3.767
234 H LYS 30 H LYS 30 10.904 -2.133 4.427
235 HA LYS 30 HA LYS 30 13.338 -3.147 5.539
236 HB2 LYS 30 HB2 LYS 30 12.414 -0.860 3.871
237 HB3 LYS 30 HB3 LYS 30 13.991 -0.669 4.636
238 HG2 LYS 30 HG2 LYS 30 14.230 -3.207 3.711
239 HG3 LYS 30 HG3 LYS 30 13.143 -2.539 2.493
240 HD2 LYS 30 HD2 LYS 30 15.020 -1.738 1.509
241 HD3 LYS 30 HD3 LYS 30 15.004 -0.523 2.787
242 HE2 LYS 30 HE2 LYS 30 17.077 -1.330 3.313
243 HE3 LYS 30 HE3 LYS 30 16.203 -2.695 4.034
244 HZ1 LYS 30 HZ1 LYS 30 16.179 -3.752 1.823
245 HZ2 LYS 30 HZ2 LYS 30 17.757 -3.523 2.407
246 HZ3 LYS 30 HZ3 LYS 30 17.132 -2.487 1.215
247 H GLN 31 H GLN 31 11.398 -0.253 6.348
248 HA GLN 31 HA GLN 31 13.176 0.707 8.426
249 HB2 GLN 31 HB2 GLN 31 10.319 1.178 7.571
250 HB3 GLN 31 HB3 GLN 31 10.958 1.953 9.022
251 HG2 GLN 31 HG2 GLN 31 12.855 2.845 7.636
252 HG3 GLN 31 HG3 GLN 31 12.052 2.198 6.205
253 HE21 GLN 31 HE21 GLN 31 11.766 4.642 8.782
254 HE22 GLN 31 HE22 GLN 31 10.565 5.558 8.006
255 H ALA 32 H ALA 32 10.413 -1.516 8.363
256 HA ALA 32 HA ALA 32 10.162 -1.704 11.270
257 HB1 ALA 32 HB1 ALA 32 8.316 -2.064 9.651
258 HB2 ALA 32 HB2 ALA 32 8.565 -3.486 10.663
259 HB3 ALA 32 HB3 ALA 32 9.167 -3.467 9.006
260 H GLN 33 H GLN 33 12.016 -3.367 8.775
261 HA GLN 33 HA GLN 33 12.670 -5.706 10.400
262 HB2 GLN 33 HB2 GLN 33 13.611 -4.496 7.798
263 HB3 GLN 33 HB3 GLN 33 14.376 -5.937 8.466
264 HG2 GLN 33 HG2 GLN 33 11.383 -5.841 8.227
265 HG3 GLN 33 HG3 GLN 33 12.355 -6.191 6.796
266 HE21 GLN 33 HE21 GLN 33 13.430 -8.245 6.685
267 HE22 GLN 33 HE22 GLN 33 13.218 -9.453 7.857
268 H ASP 34 H ASP 34 13.622 -2.546 10.830
269 HA ASP 34 HA ASP 34 16.478 -2.743 11.090
270 HB2 ASP 34 HB2 ASP 34 16.277 -0.569 11.955
271 HB3 ASP 34 HB3 ASP 34 14.810 -0.719 10.990
272 H ILE 35 H ILE 35 13.828 -3.670 13.218
273 HA ILE 35 HA ILE 35 13.802 -4.802 15.273
274 HB ILE 35 HB ILE 35 16.696 -5.305 14.486
275 HG12 ILE 35 HG12 ILE 35 14.446 -7.267 14.146
276 HG13 ILE 35 HG13 ILE 35 14.651 -5.990 12.948
277 HG21 ILE 35 HG21 ILE 35 16.550 -5.944 16.745
278 HG22 ILE 35 HG22 ILE 35 16.184 -7.441 15.888
279 HG23 ILE 35 HG23 ILE 35 14.879 -6.480 16.582
280 HD11 ILE 35 HD11 ILE 35 15.904 -8.297 12.653
281 HD12 ILE 35 HD12 ILE 35 17.049 -7.582 13.788
282 HD13 ILE 35 HD13 ILE 35 16.719 -6.786 12.248
283 H GLN 36 H GLN 36 13.529 -2.674 16.311
284 HA GLN 36 HA GLN 36 15.956 -1.444 17.507
285 HB2 GLN 36 HB2 GLN 36 13.817 -0.344 16.376
286 HB3 GLN 36 HB3 GLN 36 13.138 -0.533 17.994
287 HG2 GLN 36 HG2 GLN 36 15.811 0.512 18.214
288 HG3 GLN 36 HG3 GLN 36 14.894 1.504 17.080
289 HE21 GLN 36 HE21 GLN 36 13.837 3.190 18.130
290 HE22 GLN 36 HE22 GLN 36 13.196 3.116 19.700
291 HA PRO 37 HA PRO 37 15.101 -3.866 21.181
292 HB2 PRO 37 HB2 PRO 37 17.241 -2.971 22.629
293 HB3 PRO 37 HB3 PRO 37 17.384 -4.192 21.350
294 HG2 PRO 37 HG2 PRO 37 18.020 -1.290 21.275
295 HG3 PRO 37 HG3 PRO 37 18.853 -2.650 20.508
296 HD2 PRO 37 HD2 PRO 37 17.159 -0.946 19.191
297 HD3 PRO 37 HD3 PRO 37 17.492 -2.615 18.680
298 H ALA 38 H ALA 38 14.031 -3.370 23.110
299 HA ALA 38 HA ALA 38 13.372 -0.510 23.582
300 HB1 ALA 38 HB1 ALA 38 12.301 -3.077 24.800
301 HB2 ALA 38 HB2 ALA 38 11.630 -2.282 23.375
302 HB3 ALA 38 HB3 ALA 38 11.573 -1.477 24.943
303 H MET 39 H MET 39 15.983 -2.072 24.465
304 HA MET 39 HA MET 39 15.842 -1.827 27.408
305 HB2 MET 39 HB2 MET 39 17.762 -2.830 25.328
306 HB3 MET 39 HB3 MET 39 18.382 -2.454 26.935
307 HG2 MET 39 HG2 MET 39 17.760 -4.619 27.354
308 HG3 MET 39 HG3 MET 39 16.189 -3.870 27.632
309 HE1 MET 39 HE1 MET 39 18.539 -4.998 24.783
310 HE2 MET 39 HE2 MET 39 17.629 -6.316 24.049
311 HE3 MET 39 HE3 MET 39 18.169 -6.452 25.721
312 H GLN 40 H GLN 40 17.135 -0.048 24.638
313 HA GLN 40 HA GLN 40 18.185 2.051 24.475
314 HB2 GLN 40 HB2 GLN 40 16.645 2.227 27.082
315 HB3 GLN 40 HB3 GLN 40 17.467 3.617 26.373
316 HG2 GLN 40 HG2 GLN 40 15.610 1.999 24.658
317 HG3 GLN 40 HG3 GLN 40 14.930 3.152 25.804
318 HE21 GLN 40 HE21 GLN 40 16.949 2.868 22.893
319 HE22 GLN 40 HE22 GLN 40 16.918 4.520 22.503
Start of MODEL 17
1 HA ALA 1 HA ALA 1 -30.477 3.027 -2.727
2 HB1 ALA 1 HB1 ALA 1 -29.489 1.552 -0.267
3 HB2 ALA 1 HB2 ALA 1 -29.647 3.298 -0.468
4 HB3 ALA 1 HB3 ALA 1 -28.422 2.411 -1.378
5 H SER 2 H SER 2 -28.707 1.986 -3.995
6 HA SER 2 HA SER 2 -29.522 -0.618 -5.051
7 HB2 SER 2 HB2 SER 2 -28.644 1.245 -6.431
8 HB3 SER 2 HB3 SER 2 -27.107 1.151 -5.574
9 HG SER 2 HG SER 2 -27.575 -0.087 -7.705
10 H ARG 3 H ARG 3 -28.215 -2.543 -5.007
11 HA ARG 3 HA ARG 3 -26.414 -2.722 -2.630
12 HB2 ARG 3 HB2 ARG 3 -27.033 -5.034 -2.595
13 HB3 ARG 3 HB3 ARG 3 -28.515 -4.150 -2.946
14 HG2 ARG 3 HG2 ARG 3 -28.036 -4.553 -5.415
15 HG3 ARG 3 HG3 ARG 3 -26.761 -5.658 -4.903
16 HD2 ARG 3 HD2 ARG 3 -29.538 -5.979 -3.775
17 HD3 ARG 3 HD3 ARG 3 -29.147 -6.642 -5.375
18 HE ARG 3 HE ARG 3 -27.480 -8.067 -4.341
19 HH11 ARG 3 HH11 ARG 3 -29.930 -8.237 -2.461
20 HH12 ARG 3 HH12 ARG 3 -29.149 -8.149 -0.919
21 HH21 ARG 3 HH21 ARG 3 -26.135 -7.004 -2.218
22 HH22 ARG 3 HH22 ARG 3 -26.992 -7.446 -0.780
23 H ALA 4 H ALA 4 -26.475 -3.103 -6.136
24 HA ALA 4 HA ALA 4 -23.903 -4.492 -6.298
25 HB1 ALA 4 HB1 ALA 4 -25.725 -4.733 -7.959
26 HB2 ALA 4 HB2 ALA 4 -24.256 -4.124 -8.721
27 HB3 ALA 4 HB3 ALA 4 -25.583 -3.021 -8.359
28 H ALA 5 H ALA 5 -25.048 -1.136 -6.773
29 HA ALA 5 HA ALA 5 -22.599 0.009 -7.690
30 HB1 ALA 5 HB1 ALA 5 -24.703 1.298 -5.925
31 HB2 ALA 5 HB2 ALA 5 -24.948 0.986 -7.644
32 HB3 ALA 5 HB3 ALA 5 -23.678 2.093 -7.120
33 H LEU 6 H LEU 6 -23.866 -0.433 -4.375
34 HA LEU 6 HA LEU 6 -21.867 0.933 -2.913
35 HB2 LEU 6 HB2 LEU 6 -23.991 -0.986 -2.491
36 HB3 LEU 6 HB3 LEU 6 -22.607 -1.399 -1.483
37 HG LEU 6 HG LEU 6 -24.071 0.137 -0.272
38 HD11 LEU 6 HD11 LEU 6 -22.377 1.457 0.548
39 HD12 LEU 6 HD12 LEU 6 -21.855 1.967 -1.058
40 HD13 LEU 6 HD13 LEU 6 -21.401 0.377 -0.446
41 HD21 LEU 6 HD21 LEU 6 -24.159 2.550 -1.265
42 HD22 LEU 6 HD22 LEU 6 -25.258 1.331 -1.912
43 HD23 LEU 6 HD23 LEU 6 -23.793 1.758 -2.798
44 H ILE 7 H ILE 7 -21.753 -2.274 -4.428
45 HA ILE 7 HA ILE 7 -19.464 -3.337 -3.088
46 HB ILE 7 HB ILE 7 -20.509 -3.677 -5.924
47 HG12 ILE 7 HG12 ILE 7 -20.859 -5.483 -3.513
48 HG13 ILE 7 HG13 ILE 7 -22.035 -4.246 -3.959
49 HG21 ILE 7 HG21 ILE 7 -18.557 -5.368 -4.327
50 HG22 ILE 7 HG22 ILE 7 -18.186 -4.443 -5.782
51 HG23 ILE 7 HG23 ILE 7 -19.264 -5.834 -5.874
52 HD11 ILE 7 HD11 ILE 7 -21.930 -5.370 -6.324
53 HD12 ILE 7 HD12 ILE 7 -22.879 -6.138 -5.049
54 HD13 ILE 7 HD13 ILE 7 -21.271 -6.749 -5.442
55 H GLU 8 H GLU 8 -19.674 -1.463 -6.149
56 HA GLU 8 HA GLU 8 -16.834 -1.318 -6.599
57 HB2 GLU 8 HB2 GLU 8 -18.773 -0.928 -8.213
58 HB3 GLU 8 HB3 GLU 8 -18.968 0.655 -7.461
59 HG2 GLU 8 HG2 GLU 8 -16.246 0.553 -7.977
60 HG3 GLU 8 HG3 GLU 8 -16.940 -0.264 -9.376
61 H GLU 9 H GLU 9 -19.127 0.843 -4.919
62 HA GLU 9 HA GLU 9 -17.451 3.072 -4.443
63 HB2 GLU 9 HB2 GLU 9 -19.801 1.765 -3.130
64 HB3 GLU 9 HB3 GLU 9 -18.975 3.047 -2.244
65 HG2 GLU 9 HG2 GLU 9 -19.665 4.675 -3.690
66 HG3 GLU 9 HG3 GLU 9 -19.508 3.627 -5.100
67 H GLY 10 H GLY 10 -17.528 -0.076 -2.802
68 HA2 GLY 10 HA2 GLY 10 -15.515 0.879 -0.829
69 HA3 GLY 10 HA3 GLY 10 -16.395 -0.645 -0.732
70 H GLN 11 H GLN 11 -15.944 -1.544 -3.413
71 HA GLN 11 HA GLN 11 -13.491 -2.931 -3.179
72 HB2 GLN 11 HB2 GLN 11 -15.455 -3.452 -4.657
73 HB3 GLN 11 HB3 GLN 11 -14.950 -2.137 -5.719
74 HG2 GLN 11 HG2 GLN 11 -12.731 -3.928 -5.093
75 HG3 GLN 11 HG3 GLN 11 -14.072 -4.790 -5.845
76 HE21 GLN 11 HE21 GLN 11 -12.859 -5.036 -7.874
77 HE22 GLN 11 HE22 GLN 11 -12.611 -3.714 -8.909
78 H ARG 12 H ARG 12 -14.177 0.137 -4.907
79 HA ARG 12 HA ARG 12 -11.652 0.472 -6.172
80 HB2 ARG 12 HB2 ARG 12 -13.898 1.793 -6.308
81 HB3 ARG 12 HB3 ARG 12 -13.245 2.734 -4.966
82 HG2 ARG 12 HG2 ARG 12 -11.101 2.865 -6.505
83 HG3 ARG 12 HG3 ARG 12 -12.260 2.531 -7.791
84 HD2 ARG 12 HD2 ARG 12 -13.664 4.457 -6.736
85 HD3 ARG 12 HD3 ARG 12 -12.143 4.912 -5.941
86 HE ARG 12 HE ARG 12 -11.111 5.016 -8.223
87 HH11 ARG 12 HH11 ARG 12 -13.298 3.572 -9.702
88 HH12 ARG 12 HH12 ARG 12 -14.143 4.879 -10.462
89 HH21 ARG 12 HH21 ARG 12 -12.733 7.321 -8.428
90 HH22 ARG 12 HH22 ARG 12 -13.825 7.007 -9.736
91 H ILE 13 H ILE 13 -12.736 1.722 -2.982
92 HA ILE 13 HA ILE 13 -10.111 2.741 -2.266
93 HB ILE 13 HB ILE 13 -12.696 2.171 -0.791
94 HG12 ILE 13 HG12 ILE 13 -11.968 4.881 -0.660
95 HG13 ILE 13 HG13 ILE 13 -11.552 4.383 -2.300
96 HG21 ILE 13 HG21 ILE 13 -11.558 3.649 1.021
97 HG22 ILE 13 HG22 ILE 13 -10.044 3.156 0.262
98 HG23 ILE 13 HG23 ILE 13 -11.120 1.941 0.953
99 HD11 ILE 13 HD11 ILE 13 -14.241 3.958 -0.963
100 HD12 ILE 13 HD12 ILE 13 -13.822 3.471 -2.605
101 HD13 ILE 13 HD13 ILE 13 -13.884 5.181 -2.182
102 H ALA 14 H ALA 14 -11.917 -0.265 -1.549
103 HA ALA 14 HA ALA 14 -10.162 -1.410 0.368
104 HB1 ALA 14 HB1 ALA 14 -12.262 -2.436 -0.056
105 HB2 ALA 14 HB2 ALA 14 -11.088 -3.582 -0.703
106 HB3 ALA 14 HB3 ALA 14 -11.966 -2.510 -1.793
107 H GLU 15 H GLU 15 -10.106 -1.783 -3.210
108 HA GLU 15 HA GLU 15 -7.683 -3.354 -3.271
109 HB2 GLU 15 HB2 GLU 15 -9.655 -2.306 -5.058
110 HB3 GLU 15 HB3 GLU 15 -8.073 -1.828 -5.674
111 HG2 GLU 15 HG2 GLU 15 -7.945 -3.910 -6.548
112 HG3 GLU 15 HG3 GLU 15 -7.676 -4.464 -4.896
113 H MET 16 H MET 16 -8.320 0.144 -3.729
114 HA MET 16 HA MET 16 -5.643 0.957 -4.314
115 HB2 MET 16 HB2 MET 16 -8.138 2.213 -3.206
116 HB3 MET 16 HB3 MET 16 -6.640 3.144 -3.190
117 HG2 MET 16 HG2 MET 16 -6.380 2.836 -5.601
118 HG3 MET 16 HG3 MET 16 -7.817 1.815 -5.649
119 HE1 MET 16 HE1 MET 16 -7.975 5.771 -7.027
120 HE2 MET 16 HE2 MET 16 -7.263 4.217 -7.453
121 HE3 MET 16 HE3 MET 16 -6.476 5.240 -6.254
122 H LEU 17 H LEU 17 -7.337 0.513 -1.206
123 HA LEU 17 HA LEU 17 -5.255 1.571 0.478
124 HB2 LEU 17 HB2 LEU 17 -7.793 0.945 0.861
125 HB3 LEU 17 HB3 LEU 17 -7.130 -0.625 1.312
126 HG LEU 17 HG LEU 17 -5.779 1.736 2.501
127 HD11 LEU 17 HD11 LEU 17 -7.528 1.960 4.251
128 HD12 LEU 17 HD12 LEU 17 -8.568 0.873 3.329
129 HD13 LEU 17 HD13 LEU 17 -8.121 2.444 2.662
130 HD21 LEU 17 HD21 LEU 17 -5.561 -0.905 2.875
131 HD22 LEU 17 HD22 LEU 17 -6.855 -0.594 4.033
132 HD23 LEU 17 HD23 LEU 17 -5.307 0.237 4.194
133 H LYS 18 H LYS 18 -5.888 -1.652 -0.845
134 HA LYS 18 HA LYS 18 -3.897 -3.063 0.711
135 HB2 LYS 18 HB2 LYS 18 -5.926 -3.932 -0.611
136 HB3 LYS 18 HB3 LYS 18 -4.924 -3.758 -2.052
137 HG2 LYS 18 HG2 LYS 18 -4.023 -5.772 -1.611
138 HG3 LYS 18 HG3 LYS 18 -3.318 -5.091 -0.145
139 HD2 LYS 18 HD2 LYS 18 -5.093 -5.821 1.205
140 HD3 LYS 18 HD3 LYS 18 -6.191 -5.992 -0.166
141 HE2 LYS 18 HE2 LYS 18 -3.702 -7.693 -0.023
142 HE3 LYS 18 HE3 LYS 18 -5.161 -8.166 0.870
143 HZ1 LYS 18 HZ1 LYS 18 -6.447 -8.029 -1.135
144 HZ2 LYS 18 HZ2 LYS 18 -5.111 -9.035 -1.434
145 HZ3 LYS 18 HZ3 LYS 18 -5.122 -7.439 -2.015
146 H SER 19 H SER 19 -3.874 -1.649 -2.580
147 HA SER 19 HA SER 19 -1.219 -2.414 -3.319
148 HB2 SER 19 HB2 SER 19 -3.240 -1.366 -4.625
149 HB3 SER 19 HB3 SER 19 -2.533 0.172 -4.140
150 HG SER 19 HG SER 19 -1.792 -0.698 -6.198
151 H LYS 20 H LYS 20 -2.453 0.463 -1.605
152 HA LYS 20 HA LYS 20 0.025 1.916 -1.495
153 HB2 LYS 20 HB2 LYS 20 -2.387 2.676 -1.079
154 HB3 LYS 20 HB3 LYS 20 -2.232 1.958 0.524
155 HG2 LYS 20 HG2 LYS 20 0.094 3.495 0.201
156 HG3 LYS 20 HG3 LYS 20 -1.204 4.495 -0.455
157 HD2 LYS 20 HD2 LYS 20 -2.307 3.402 1.862
158 HD3 LYS 20 HD3 LYS 20 -0.645 3.777 2.318
159 HE2 LYS 20 HE2 LYS 20 -0.921 6.064 1.973
160 HE3 LYS 20 HE3 LYS 20 -2.208 5.830 0.774
161 HZ1 LYS 20 HZ1 LYS 20 -2.610 4.895 3.539
162 HZ2 LYS 20 HZ2 LYS 20 -3.764 5.372 2.386
163 HZ3 LYS 20 HZ3 LYS 20 -2.823 6.540 3.185
164 H ILE 21 H ILE 21 -1.464 -0.459 0.731
165 HA ILE 21 HA ILE 21 0.517 -0.212 2.813
166 HB ILE 21 HB ILE 21 -1.520 -2.290 1.989
167 HG12 ILE 21 HG12 ILE 21 -1.319 -0.537 4.458
168 HG13 ILE 21 HG13 ILE 21 -2.215 -0.083 3.009
169 HG21 ILE 21 HG21 ILE 21 0.232 -3.576 3.050
170 HG22 ILE 21 HG22 ILE 21 -1.055 -3.356 4.236
171 HG23 ILE 21 HG23 ILE 21 0.407 -2.375 4.330
172 HD11 ILE 21 HD11 ILE 21 -3.580 -1.188 4.870
173 HD12 ILE 21 HD12 ILE 21 -2.725 -2.679 4.475
174 HD13 ILE 21 HD13 ILE 21 -3.743 -1.898 3.265
175 H GLN 22 H GLN 22 0.307 -2.194 -0.107
176 HA GLN 22 HA GLN 22 2.459 -4.008 0.464
177 HB2 GLN 22 HB2 GLN 22 0.570 -3.746 -1.455
178 HB3 GLN 22 HB3 GLN 22 1.957 -3.095 -2.329
179 HG2 GLN 22 HG2 GLN 22 2.229 -5.678 -0.811
180 HG3 GLN 22 HG3 GLN 22 1.484 -5.676 -2.409
181 HE21 GLN 22 HE21 GLN 22 2.907 -4.223 -4.064
182 HE22 GLN 22 HE22 GLN 22 4.573 -4.543 -4.011
183 H GLY 23 H GLY 23 2.412 -0.893 -1.321
184 HA2 GLY 23 HA2 GLY 23 5.214 -0.857 -1.929
185 HA3 GLY 23 HA3 GLY 23 4.161 0.557 -1.911
186 H LEU 24 H LEU 24 3.348 0.369 0.845
187 HA LEU 24 HA LEU 24 5.464 1.797 2.142
188 HB2 LEU 24 HB2 LEU 24 2.907 1.711 2.557
189 HB3 LEU 24 HB3 LEU 24 3.247 0.276 3.526
190 HG LEU 24 HG LEU 24 4.993 2.602 4.082
191 HD11 LEU 24 HD11 LEU 24 3.255 3.729 5.448
192 HD12 LEU 24 HD12 LEU 24 2.045 2.619 4.806
193 HD13 LEU 24 HD13 LEU 24 2.855 3.759 3.731
194 HD21 LEU 24 HD21 LEU 24 3.798 0.269 5.431
195 HD22 LEU 24 HD22 LEU 24 3.846 1.722 6.429
196 HD23 LEU 24 HD23 LEU 24 5.334 1.080 5.736
197 H LEU 25 H LEU 25 4.404 -1.610 2.406
198 HA LEU 25 HA LEU 25 6.244 -2.400 4.466
199 HB2 LEU 25 HB2 LEU 25 4.359 -3.586 2.562
200 HB3 LEU 25 HB3 LEU 25 5.757 -4.622 2.845
201 HG LEU 25 HG LEU 25 5.301 -3.991 5.380
202 HD11 LEU 25 HD11 LEU 25 2.947 -3.664 5.864
203 HD12 LEU 25 HD12 LEU 25 2.534 -3.793 4.155
204 HD13 LEU 25 HD13 LEU 25 3.456 -2.407 4.737
205 HD21 LEU 25 HD21 LEU 25 4.016 -6.044 5.590
206 HD22 LEU 25 HD22 LEU 25 5.201 -6.262 4.302
207 HD23 LEU 25 HD23 LEU 25 3.513 -5.948 3.902
208 H GLN 26 H GLN 26 6.493 -2.462 0.895
209 HA GLN 26 HA GLN 26 9.076 -3.735 0.779
210 HB2 GLN 26 HB2 GLN 26 7.146 -3.139 -0.992
211 HB3 GLN 26 HB3 GLN 26 8.202 -1.756 -1.287
212 HG2 GLN 26 HG2 GLN 26 9.728 -4.230 -1.083
213 HG3 GLN 26 HG3 GLN 26 8.505 -4.330 -2.349
214 HE21 GLN 26 HE21 GLN 26 9.625 -3.889 -4.275
215 HE22 GLN 26 HE22 GLN 26 10.643 -2.551 -4.508
216 H GLN 27 H GLN 27 8.062 -0.311 0.858
217 HA GLN 27 HA GLN 27 10.741 0.768 0.600
218 HB2 GLN 27 HB2 GLN 27 8.018 1.778 1.401
219 HB3 GLN 27 HB3 GLN 27 9.431 2.824 1.548
220 HG2 GLN 27 HG2 GLN 27 9.955 2.415 -0.849
221 HG3 GLN 27 HG3 GLN 27 8.489 1.444 -0.984
222 HE21 GLN 27 HE21 GLN 27 9.673 4.767 -0.437
223 HE22 GLN 27 HE22 GLN 27 8.198 5.525 -0.796
224 H ALA 28 H ALA 28 8.737 -0.250 3.314
225 HA ALA 28 HA ALA 28 10.254 0.996 5.423
226 HB1 ALA 28 HB1 ALA 28 8.025 0.198 5.829
227 HB2 ALA 28 HB2 ALA 28 9.093 -0.841 6.772
228 HB3 ALA 28 HB3 ALA 28 8.432 -1.416 5.243
229 H SER 29 H SER 29 10.503 -2.124 3.765
230 HA SER 29 HA SER 29 12.610 -3.190 5.466
231 HB2 SER 29 HB2 SER 29 11.500 -3.864 2.728
232 HB3 SER 29 HB3 SER 29 12.756 -4.822 3.504
233 HG SER 29 HG SER 29 10.063 -4.655 4.029
234 H LYS 30 H LYS 30 12.536 -1.647 2.234
235 HA LYS 30 HA LYS 30 15.378 -1.784 1.760
236 HB2 LYS 30 HB2 LYS 30 13.151 -1.191 0.316
237 HB3 LYS 30 HB3 LYS 30 13.773 0.435 0.603
238 HG2 LYS 30 HG2 LYS 30 16.070 -0.878 -0.074
239 HG3 LYS 30 HG3 LYS 30 14.888 -1.745 -1.057
240 HD2 LYS 30 HD2 LYS 30 14.081 0.387 -1.990
241 HD3 LYS 30 HD3 LYS 30 15.239 1.269 -0.994
242 HE2 LYS 30 HE2 LYS 30 16.365 -0.905 -2.699
243 HE3 LYS 30 HE3 LYS 30 15.801 0.553 -3.538
244 HZ1 LYS 30 HZ1 LYS 30 17.668 0.470 -1.222
245 HZ2 LYS 30 HZ2 LYS 30 17.061 1.891 -1.930
246 HZ3 LYS 30 HZ3 LYS 30 18.077 0.861 -2.821
247 H GLN 31 H GLN 31 13.282 0.646 3.308
248 HA GLN 31 HA GLN 31 15.284 2.716 3.540
249 HB2 GLN 31 HB2 GLN 31 12.806 2.992 3.677
250 HB3 GLN 31 HB3 GLN 31 12.820 2.136 5.219
251 HG2 GLN 31 HG2 GLN 31 14.791 4.150 5.440
252 HG3 GLN 31 HG3 GLN 31 13.397 4.920 4.683
253 HE21 GLN 31 HE21 GLN 31 14.230 2.808 7.486
254 HE22 GLN 31 HE22 GLN 31 12.986 3.394 8.481
255 H ALA 32 H ALA 32 14.754 -0.246 5.301
256 HA ALA 32 HA ALA 32 16.166 0.660 7.726
257 HB1 ALA 32 HB1 ALA 32 15.332 -2.122 6.855
258 HB2 ALA 32 HB2 ALA 32 14.234 -0.975 7.623
259 HB3 ALA 32 HB3 ALA 32 15.643 -1.571 8.501
260 H GLN 33 H GLN 33 17.122 -0.444 4.634
261 HA GLN 33 HA GLN 33 19.658 -1.628 5.692
262 HB2 GLN 33 HB2 GLN 33 17.797 -2.270 3.618
263 HB3 GLN 33 HB3 GLN 33 19.341 -1.887 2.858
264 HG2 GLN 33 HG2 GLN 33 20.300 -3.783 3.629
265 HG3 GLN 33 HG3 GLN 33 19.670 -3.528 5.256
266 HE21 GLN 33 HE21 GLN 33 19.417 -5.576 2.577
267 HE22 GLN 33 HE22 GLN 33 17.907 -6.266 2.929
268 H ASP 34 H ASP 34 18.714 1.407 4.922
269 HA ASP 34 HA ASP 34 21.346 2.026 3.627
270 HB2 ASP 34 HB2 ASP 34 20.288 3.370 2.018
271 HB3 ASP 34 HB3 ASP 34 19.160 2.028 2.181
272 H ILE 35 H ILE 35 20.263 2.212 6.496
273 HA ILE 35 HA ILE 35 20.333 5.160 6.928
274 HB ILE 35 HB ILE 35 19.877 2.880 8.886
275 HG12 ILE 35 HG12 ILE 35 18.192 2.762 7.114
276 HG13 ILE 35 HG13 ILE 35 17.452 3.397 8.582
277 HG21 ILE 35 HG21 ILE 35 19.727 5.859 9.010
278 HG22 ILE 35 HG22 ILE 35 20.196 4.703 10.256
279 HG23 ILE 35 HG23 ILE 35 18.492 4.951 9.882
280 HD11 ILE 35 HD11 ILE 35 16.666 4.842 6.887
281 HD12 ILE 35 HD12 ILE 35 18.234 4.890 6.079
282 HD13 ILE 35 HD13 ILE 35 18.004 5.735 7.611
283 H GLN 36 H GLN 36 22.787 4.106 6.042
284 HA GLN 36 HA GLN 36 24.454 4.277 8.529
285 HB2 GLN 36 HB2 GLN 36 24.104 2.015 7.112
286 HB3 GLN 36 HB3 GLN 36 25.400 2.730 6.152
287 HG2 GLN 36 HG2 GLN 36 26.914 2.717 7.947
288 HG3 GLN 36 HG3 GLN 36 25.630 2.613 9.152
289 HE21 GLN 36 HE21 GLN 36 27.792 0.740 7.181
290 HE22 GLN 36 HE22 GLN 36 27.186 -0.788 7.604
291 HA PRO 37 HA PRO 37 25.732 7.703 5.799
292 HB2 PRO 37 HB2 PRO 37 26.794 9.216 7.821
293 HB3 PRO 37 HB3 PRO 37 25.066 9.204 7.419
294 HG2 PRO 37 HG2 PRO 37 26.512 7.767 9.591
295 HG3 PRO 37 HG3 PRO 37 24.937 8.575 9.628
296 HD2 PRO 37 HD2 PRO 37 25.208 5.882 9.433
297 HD3 PRO 37 HD3 PRO 37 23.839 6.771 8.728
298 H ALA 38 H ALA 38 27.522 5.652 7.983
299 HA ALA 38 HA ALA 38 30.182 6.631 7.568
300 HB1 ALA 38 HB1 ALA 38 29.066 3.864 8.128
301 HB2 ALA 38 HB2 ALA 38 29.564 5.056 9.328
302 HB3 ALA 38 HB3 ALA 38 30.768 4.297 8.286
303 H MET 39 H MET 39 28.130 4.438 5.665
304 HA MET 39 HA MET 39 30.278 3.693 3.811
305 HB2 MET 39 HB2 MET 39 27.302 3.271 4.061
306 HB3 MET 39 HB3 MET 39 28.138 2.812 2.577
307 HG2 MET 39 HG2 MET 39 29.659 1.370 3.848
308 HG3 MET 39 HG3 MET 39 28.896 1.867 5.358
309 HE1 MET 39 HE1 MET 39 28.721 0.164 2.059
310 HE2 MET 39 HE2 MET 39 27.615 -1.185 2.303
311 HE3 MET 39 HE3 MET 39 29.120 -1.113 3.216
312 H GLN 40 H GLN 40 27.325 5.729 3.605
313 HA GLN 40 HA GLN 40 28.626 7.226 1.353
314 HB2 GLN 40 HB2 GLN 40 25.858 6.052 1.652
315 HB3 GLN 40 HB3 GLN 40 26.159 7.381 0.533
316 HG2 GLN 40 HG2 GLN 40 28.221 5.429 0.167
317 HG3 GLN 40 HG3 GLN 40 26.666 4.600 0.130
318 HE21 GLN 40 HE21 GLN 40 27.877 7.790 -1.095
319 HE22 GLN 40 HE22 GLN 40 27.212 7.601 -2.645
Start of MODEL 18
1 HA ALA 1 HA ALA 1 -26.436 4.428 -6.131
2 HB1 ALA 1 HB1 ALA 1 -28.323 5.997 -4.341
3 HB2 ALA 1 HB2 ALA 1 -26.810 6.586 -5.027
4 HB3 ALA 1 HB3 ALA 1 -26.789 5.306 -3.816
5 H SER 2 H SER 2 -26.540 2.265 -5.679
6 HA SER 2 HA SER 2 -29.008 1.196 -4.342
7 HB2 SER 2 HB2 SER 2 -27.367 0.087 -6.639
8 HB3 SER 2 HB3 SER 2 -28.617 -0.829 -5.805
9 HG SER 2 HG SER 2 -29.051 0.620 -7.817
10 H ARG 3 H ARG 3 -28.566 -0.897 -3.187
11 HA ARG 3 HA ARG 3 -26.321 -0.759 -1.432
12 HB2 ARG 3 HB2 ARG 3 -28.389 -2.802 -2.204
13 HB3 ARG 3 HB3 ARG 3 -27.060 -3.292 -1.151
14 HG2 ARG 3 HG2 ARG 3 -28.334 -2.490 0.542
15 HG3 ARG 3 HG3 ARG 3 -27.845 -0.894 -0.031
16 HD2 ARG 3 HD2 ARG 3 -29.988 -0.424 -0.588
17 HD3 ARG 3 HD3 ARG 3 -30.034 -1.843 -1.657
18 HE ARG 3 HE ARG 3 -30.597 -3.206 0.376
19 HH11 ARG 3 HH11 ARG 3 -29.947 -1.265 2.513
20 HH12 ARG 3 HH12 ARG 3 -31.495 -0.608 2.925
21 HH21 ARG 3 HH21 ARG 3 -33.028 -1.719 0.009
22 HH22 ARG 3 HH22 ARG 3 -33.248 -0.867 1.499
23 H ALA 4 H ALA 4 -26.873 -2.798 -4.329
24 HA ALA 4 HA ALA 4 -24.376 -4.206 -4.247
25 HB1 ALA 4 HB1 ALA 4 -24.951 -4.724 -6.591
26 HB2 ALA 4 HB2 ALA 4 -26.135 -3.416 -6.595
27 HB3 ALA 4 HB3 ALA 4 -26.386 -4.830 -5.571
28 H ALA 5 H ALA 5 -25.352 -1.216 -5.968
29 HA ALA 5 HA ALA 5 -22.913 -0.694 -7.334
30 HB1 ALA 5 HB1 ALA 5 -24.773 1.351 -6.093
31 HB2 ALA 5 HB2 ALA 5 -25.202 0.424 -7.530
32 HB3 ALA 5 HB3 ALA 5 -23.822 1.522 -7.568
33 H LEU 6 H LEU 6 -23.957 0.257 -4.043
34 HA LEU 6 HA LEU 6 -21.741 1.869 -3.306
35 HB2 LEU 6 HB2 LEU 6 -23.921 0.359 -2.044
36 HB3 LEU 6 HB3 LEU 6 -22.490 0.459 -1.021
37 HG LEU 6 HG LEU 6 -24.016 2.363 -0.621
38 HD11 LEU 6 HD11 LEU 6 -21.544 3.326 -2.077
39 HD12 LEU 6 HD12 LEU 6 -21.485 2.576 -0.482
40 HD13 LEU 6 HD13 LEU 6 -22.359 4.090 -0.713
41 HD21 LEU 6 HD21 LEU 6 -23.487 2.947 -3.553
42 HD22 LEU 6 HD22 LEU 6 -24.266 4.068 -2.437
43 HD23 LEU 6 HD23 LEU 6 -25.041 2.533 -2.828
44 H ILE 7 H ILE 7 -22.138 -1.677 -3.180
45 HA ILE 7 HA ILE 7 -19.582 -2.208 -1.909
46 HB ILE 7 HB ILE 7 -21.500 -3.875 -3.581
47 HG12 ILE 7 HG12 ILE 7 -21.094 -4.192 -0.632
48 HG13 ILE 7 HG13 ILE 7 -22.018 -2.795 -1.187
49 HG21 ILE 7 HG21 ILE 7 -19.532 -5.132 -3.701
50 HG22 ILE 7 HG22 ILE 7 -20.263 -5.755 -2.221
51 HG23 ILE 7 HG23 ILE 7 -18.959 -4.570 -2.129
52 HD11 ILE 7 HD11 ILE 7 -23.298 -4.537 -2.654
53 HD12 ILE 7 HD12 ILE 7 -23.680 -4.427 -0.936
54 HD13 ILE 7 HD13 ILE 7 -22.635 -5.719 -1.527
55 H GLU 8 H GLU 8 -20.703 -2.003 -5.286
56 HA GLU 8 HA GLU 8 -18.365 -2.999 -6.595
57 HB2 GLU 8 HB2 GLU 8 -20.862 -1.988 -7.264
58 HB3 GLU 8 HB3 GLU 8 -19.761 -0.779 -7.920
59 HG2 GLU 8 HG2 GLU 8 -18.454 -2.762 -8.920
60 HG3 GLU 8 HG3 GLU 8 -19.882 -3.730 -8.548
61 H GLU 9 H GLU 9 -19.110 0.160 -5.202
62 HA GLU 9 HA GLU 9 -16.774 1.495 -6.380
63 HB2 GLU 9 HB2 GLU 9 -19.114 2.417 -5.682
64 HB3 GLU 9 HB3 GLU 9 -18.448 2.437 -4.049
65 HG2 GLU 9 HG2 GLU 9 -17.939 4.590 -4.827
66 HG3 GLU 9 HG3 GLU 9 -16.445 3.709 -5.143
67 H GLY 10 H GLY 10 -17.714 0.261 -3.149
68 HA2 GLY 10 HA2 GLY 10 -15.392 1.107 -1.736
69 HA3 GLY 10 HA3 GLY 10 -16.425 -0.234 -1.255
70 H GLN 11 H GLN 11 -16.052 -2.032 -3.359
71 HA GLN 11 HA GLN 11 -13.619 -3.327 -2.670
72 HB2 GLN 11 HB2 GLN 11 -14.150 -4.784 -4.547
73 HB3 GLN 11 HB3 GLN 11 -15.655 -4.315 -3.760
74 HG2 GLN 11 HG2 GLN 11 -15.850 -2.455 -5.476
75 HG3 GLN 11 HG3 GLN 11 -14.498 -3.201 -6.327
76 HE21 GLN 11 HE21 GLN 11 -17.550 -4.408 -4.784
77 HE22 GLN 11 HE22 GLN 11 -17.983 -5.394 -6.098
78 H ARG 12 H ARG 12 -14.285 -0.953 -5.231
79 HA ARG 12 HA ARG 12 -11.734 -1.255 -6.587
80 HB2 ARG 12 HB2 ARG 12 -13.981 0.759 -6.516
81 HB3 ARG 12 HB3 ARG 12 -12.508 1.106 -7.421
82 HG2 ARG 12 HG2 ARG 12 -14.068 -1.461 -7.787
83 HG3 ARG 12 HG3 ARG 12 -14.388 -0.014 -8.743
84 HD2 ARG 12 HD2 ARG 12 -11.525 -0.698 -8.621
85 HD3 ARG 12 HD3 ARG 12 -12.519 -1.941 -9.405
86 HE ARG 12 HE ARG 12 -12.976 0.890 -10.195
87 HH11 ARG 12 HH11 ARG 12 -14.140 -1.298 -11.803
88 HH12 ARG 12 HH12 ARG 12 -13.003 -1.476 -13.097
89 HH21 ARG 12 HH21 ARG 12 -10.468 0.249 -11.457
90 HH22 ARG 12 HH22 ARG 12 -10.916 -0.596 -12.902
91 H ILE 13 H ILE 13 -12.968 0.930 -4.042
92 HA ILE 13 HA ILE 13 -10.520 2.506 -3.869
93 HB ILE 13 HB ILE 13 -12.935 2.111 -2.065
94 HG12 ILE 13 HG12 ILE 13 -12.205 4.540 -3.711
95 HG13 ILE 13 HG13 ILE 13 -13.117 3.203 -4.410
96 HG21 ILE 13 HG21 ILE 13 -12.055 4.415 -1.174
97 HG22 ILE 13 HG22 ILE 13 -10.502 3.865 -1.802
98 HG23 ILE 13 HG23 ILE 13 -11.333 2.928 -0.562
99 HD11 ILE 13 HD11 ILE 13 -13.960 4.553 -1.839
100 HD12 ILE 13 HD12 ILE 13 -14.916 3.493 -2.875
101 HD13 ILE 13 HD13 ILE 13 -14.501 5.117 -3.419
102 H ALA 14 H ALA 14 -11.970 -0.109 -1.884
103 HA ALA 14 HA ALA 14 -9.921 -0.306 0.085
104 HB1 ALA 14 HB1 ALA 14 -12.141 -1.364 0.210
105 HB2 ALA 14 HB2 ALA 14 -10.881 -2.584 0.391
106 HB3 ALA 14 HB3 ALA 14 -11.729 -2.415 -1.146
107 H GLU 15 H GLU 15 -10.249 -1.966 -3.075
108 HA GLU 15 HA GLU 15 -7.924 -3.622 -2.878
109 HB2 GLU 15 HB2 GLU 15 -9.802 -3.781 -4.532
110 HB3 GLU 15 HB3 GLU 15 -9.187 -2.328 -5.319
111 HG2 GLU 15 HG2 GLU 15 -6.928 -3.898 -5.172
112 HG3 GLU 15 HG3 GLU 15 -8.193 -5.095 -5.454
113 H MET 16 H MET 16 -8.351 -0.320 -4.214
114 HA MET 16 HA MET 16 -5.632 0.069 -5.064
115 HB2 MET 16 HB2 MET 16 -8.007 1.775 -4.366
116 HB3 MET 16 HB3 MET 16 -6.447 2.558 -4.616
117 HG2 MET 16 HG2 MET 16 -6.373 1.086 -6.794
118 HG3 MET 16 HG3 MET 16 -8.121 1.010 -6.572
119 HE1 MET 16 HE1 MET 16 -9.251 3.093 -5.558
120 HE2 MET 16 HE2 MET 16 -9.779 3.148 -7.238
121 HE3 MET 16 HE3 MET 16 -9.244 4.627 -6.442
122 H LEU 17 H LEU 17 -7.308 0.666 -1.979
123 HA LEU 17 HA LEU 17 -5.220 2.032 -0.592
124 HB2 LEU 17 HB2 LEU 17 -7.716 1.580 -0.021
125 HB3 LEU 17 HB3 LEU 17 -7.137 0.051 0.643
126 HG LEU 17 HG LEU 17 -5.386 1.625 1.866
127 HD11 LEU 17 HD11 LEU 17 -6.039 3.709 0.826
128 HD12 LEU 17 HD12 LEU 17 -6.551 3.769 2.512
129 HD13 LEU 17 HD13 LEU 17 -7.732 3.443 1.244
130 HD21 LEU 17 HD21 LEU 17 -8.298 1.331 2.674
131 HD22 LEU 17 HD22 LEU 17 -6.991 1.779 3.770
132 HD23 LEU 17 HD23 LEU 17 -7.000 0.186 3.014
133 H LYS 18 H LYS 18 -5.840 -1.403 -1.140
134 HA LYS 18 HA LYS 18 -3.939 -2.538 0.660
135 HB2 LYS 18 HB2 LYS 18 -5.788 -3.620 -0.764
136 HB3 LYS 18 HB3 LYS 18 -4.647 -3.554 -2.108
137 HG2 LYS 18 HG2 LYS 18 -4.129 -5.650 -1.293
138 HG3 LYS 18 HG3 LYS 18 -3.031 -4.685 -0.306
139 HD2 LYS 18 HD2 LYS 18 -4.034 -5.651 1.478
140 HD3 LYS 18 HD3 LYS 18 -5.398 -4.587 1.129
141 HE2 LYS 18 HE2 LYS 18 -6.539 -6.283 -0.113
142 HE3 LYS 18 HE3 LYS 18 -5.087 -7.300 -0.191
143 HZ1 LYS 18 HZ1 LYS 18 -5.126 -7.577 2.170
144 HZ2 LYS 18 HZ2 LYS 18 -6.671 -7.971 1.584
145 HZ3 LYS 18 HZ3 LYS 18 -6.404 -6.475 2.343
146 H SER 19 H SER 19 -3.612 -1.380 -2.702
147 HA SER 19 HA SER 19 -0.848 -2.122 -3.056
148 HB2 SER 19 HB2 SER 19 -2.968 -0.694 -4.434
149 HB3 SER 19 HB3 SER 19 -1.437 0.155 -4.617
150 HG SER 19 HG SER 19 -2.237 -1.992 -5.892
151 H LYS 20 H LYS 20 -2.449 0.799 -1.789
152 HA LYS 20 HA LYS 20 -0.139 2.492 -1.617
153 HB2 LYS 20 HB2 LYS 20 -2.894 2.331 -0.559
154 HB3 LYS 20 HB3 LYS 20 -1.776 3.209 0.486
155 HG2 LYS 20 HG2 LYS 20 -2.372 4.949 -0.889
156 HG3 LYS 20 HG3 LYS 20 -1.065 4.287 -1.873
157 HD2 LYS 20 HD2 LYS 20 -2.994 2.757 -2.840
158 HD3 LYS 20 HD3 LYS 20 -4.029 4.060 -2.259
159 HE2 LYS 20 HE2 LYS 20 -3.505 5.269 -4.100
160 HE3 LYS 20 HE3 LYS 20 -1.800 5.257 -3.606
161 HZ1 LYS 20 HZ1 LYS 20 -2.132 4.165 -5.765
162 HZ2 LYS 20 HZ2 LYS 20 -3.176 3.040 -5.038
163 HZ3 LYS 20 HZ3 LYS 20 -1.534 3.087 -4.602
164 H ILE 21 H ILE 21 -1.572 0.165 0.683
165 HA ILE 21 HA ILE 21 0.286 0.639 2.833
166 HB ILE 21 HB ILE 21 -1.472 -1.706 2.043
167 HG12 ILE 21 HG12 ILE 21 -2.693 0.366 2.549
168 HG13 ILE 21 HG13 ILE 21 -2.939 -0.806 3.841
169 HG21 ILE 21 HG21 ILE 21 0.265 -1.245 4.458
170 HG22 ILE 21 HG22 ILE 21 0.050 -2.716 3.510
171 HG23 ILE 21 HG23 ILE 21 -1.224 -2.178 4.603
172 HD11 ILE 21 HD11 ILE 21 -0.804 0.403 4.876
173 HD12 ILE 21 HD12 ILE 21 -2.422 1.068 5.100
174 HD13 ILE 21 HD13 ILE 21 -1.360 1.736 3.863
175 H GLN 22 H GLN 22 0.326 -1.475 0.006
176 HA GLN 22 HA GLN 22 2.540 -3.148 0.736
177 HB2 GLN 22 HB2 GLN 22 0.803 -2.659 -1.486
178 HB3 GLN 22 HB3 GLN 22 2.460 -2.630 -2.089
179 HG2 GLN 22 HG2 GLN 22 2.321 -4.889 -2.112
180 HG3 GLN 22 HG3 GLN 22 2.480 -4.790 -0.358
181 HE21 GLN 22 HE21 GLN 22 0.111 -5.128 -2.998
182 HE22 GLN 22 HE22 GLN 22 -1.162 -5.664 -2.010
183 H GLY 23 H GLY 23 2.389 -0.066 -1.088
184 HA2 GLY 23 HA2 GLY 23 5.197 0.145 -1.612
185 HA3 GLY 23 HA3 GLY 23 4.066 1.501 -1.587
186 H LEU 24 H LEU 24 3.181 1.219 1.118
187 HA LEU 24 HA LEU 24 5.117 2.730 2.558
188 HB2 LEU 24 HB2 LEU 24 2.495 1.936 2.857
189 HB3 LEU 24 HB3 LEU 24 3.291 1.002 4.122
190 HG LEU 24 HG LEU 24 2.553 3.174 5.000
191 HD11 LEU 24 HD11 LEU 24 5.563 3.206 4.659
192 HD12 LEU 24 HD12 LEU 24 4.723 2.114 5.761
193 HD13 LEU 24 HD13 LEU 24 4.628 3.858 6.006
194 HD21 LEU 24 HD21 LEU 24 2.843 4.254 2.642
195 HD22 LEU 24 HD22 LEU 24 4.509 4.532 3.150
196 HD23 LEU 24 HD23 LEU 24 3.179 5.241 4.065
197 H LEU 25 H LEU 25 4.414 -0.774 2.590
198 HA LEU 25 HA LEU 25 6.413 -1.441 4.586
199 HB2 LEU 25 HB2 LEU 25 4.277 -2.658 3.249
200 HB3 LEU 25 HB3 LEU 25 5.693 -3.545 2.687
201 HG LEU 25 HG LEU 25 5.306 -2.958 5.619
202 HD11 LEU 25 HD11 LEU 25 4.283 -5.394 4.128
203 HD12 LEU 25 HD12 LEU 25 3.260 -4.101 4.756
204 HD13 LEU 25 HD13 LEU 25 4.185 -5.113 5.866
205 HD21 LEU 25 HD21 LEU 25 7.507 -3.777 4.723
206 HD22 LEU 25 HD22 LEU 25 6.683 -5.227 4.146
207 HD23 LEU 25 HD23 LEU 25 6.766 -4.889 5.875
208 H GLN 26 H GLN 26 6.384 -1.287 1.032
209 HA GLN 26 HA GLN 26 8.807 -2.624 0.430
210 HB2 GLN 26 HB2 GLN 26 6.908 -0.830 -0.806
211 HB3 GLN 26 HB3 GLN 26 8.543 -0.357 -1.265
212 HG2 GLN 26 HG2 GLN 26 8.178 -1.963 -2.875
213 HG3 GLN 26 HG3 GLN 26 8.807 -3.000 -1.595
214 HE21 GLN 26 HE21 GLN 26 7.258 -4.342 -0.402
215 HE22 GLN 26 HE22 GLN 26 5.687 -4.604 -0.991
216 H GLN 27 H GLN 27 8.267 0.785 1.371
217 HA GLN 27 HA GLN 27 10.996 1.651 1.125
218 HB2 GLN 27 HB2 GLN 27 8.441 2.562 2.313
219 HB3 GLN 27 HB3 GLN 27 9.886 3.238 3.064
220 HG2 GLN 27 HG2 GLN 27 9.328 4.735 1.291
221 HG3 GLN 27 HG3 GLN 27 10.693 3.787 0.701
222 HE21 GLN 27 HE21 GLN 27 7.250 4.410 0.266
223 HE22 GLN 27 HE22 GLN 27 7.065 3.451 -1.122
224 H ALA 28 H ALA 28 9.174 0.168 3.773
225 HA ALA 28 HA ALA 28 11.185 0.459 5.816
226 HB1 ALA 28 HB1 ALA 28 8.603 -0.236 5.786
227 HB2 ALA 28 HB2 ALA 28 9.674 -0.769 7.081
228 HB3 ALA 28 HB3 ALA 28 9.294 -1.859 5.749
229 H SER 29 H SER 29 10.625 -1.923 3.276
230 HA SER 29 HA SER 29 12.374 -4.000 4.199
231 HB2 SER 29 HB2 SER 29 10.635 -3.988 2.310
232 HB3 SER 29 HB3 SER 29 11.857 -3.186 1.326
233 HG SER 29 HG SER 29 11.624 -5.684 1.496
234 H LYS 30 H LYS 30 12.947 -1.087 2.223
235 HA LYS 30 HA LYS 30 15.729 -1.632 1.657
236 HB2 LYS 30 HB2 LYS 30 13.842 0.703 1.550
237 HB3 LYS 30 HB3 LYS 30 15.568 1.002 1.352
238 HG2 LYS 30 HG2 LYS 30 14.163 -1.141 -0.242
239 HG3 LYS 30 HG3 LYS 30 14.189 0.536 -0.786
240 HD2 LYS 30 HD2 LYS 30 16.156 -0.050 -1.770
241 HD3 LYS 30 HD3 LYS 30 16.822 0.152 -0.149
242 HE2 LYS 30 HE2 LYS 30 17.057 -2.113 0.178
243 HE3 LYS 30 HE3 LYS 30 15.594 -2.501 -0.745
244 HZ1 LYS 30 HZ1 LYS 30 16.714 -2.016 -2.780
245 HZ2 LYS 30 HZ2 LYS 30 17.701 -3.087 -1.906
246 HZ3 LYS 30 HZ3 LYS 30 18.084 -1.433 -1.967
247 H GLN 31 H GLN 31 14.073 0.373 4.125
248 HA GLN 31 HA GLN 31 16.347 1.436 5.443
249 HB2 GLN 31 HB2 GLN 31 13.781 1.818 5.715
250 HB3 GLN 31 HB3 GLN 31 13.862 0.488 6.870
251 HG2 GLN 31 HG2 GLN 31 14.336 2.152 8.361
252 HG3 GLN 31 HG3 GLN 31 15.969 1.992 7.714
253 HE21 GLN 31 HE21 GLN 31 13.089 4.038 7.725
254 HE22 GLN 31 HE22 GLN 31 13.786 5.334 6.880
255 H ALA 32 H ALA 32 14.792 -1.748 5.781
256 HA ALA 32 HA ALA 32 16.307 -2.621 8.086
257 HB1 ALA 32 HB1 ALA 32 14.291 -3.756 7.616
258 HB2 ALA 32 HB2 ALA 32 15.518 -4.902 7.082
259 HB3 ALA 32 HB3 ALA 32 14.670 -3.905 5.901
260 H GLN 33 H GLN 33 16.902 -2.665 4.598
261 HA GLN 33 HA GLN 33 19.389 -4.270 4.994
262 HB2 GLN 33 HB2 GLN 33 17.554 -3.571 2.717
263 HB3 GLN 33 HB3 GLN 33 19.201 -4.098 2.369
264 HG2 GLN 33 HG2 GLN 33 18.850 -6.230 3.222
265 HG3 GLN 33 HG3 GLN 33 17.574 -5.694 4.315
266 HE21 GLN 33 HE21 GLN 33 18.065 -5.562 0.722
267 HE22 GLN 33 HE22 GLN 33 16.518 -6.158 0.356
268 H ASP 34 H ASP 34 18.673 -1.085 5.249
269 HA ASP 34 HA ASP 34 21.070 -0.163 3.706
270 HB2 ASP 34 HB2 ASP 34 18.395 0.924 4.371
271 HB3 ASP 34 HB3 ASP 34 19.717 2.088 4.470
272 H ILE 35 H ILE 35 20.565 -1.293 6.685
273 HA ILE 35 HA ILE 35 22.621 0.449 7.888
274 HB ILE 35 HB ILE 35 20.415 1.553 8.300
275 HG12 ILE 35 HG12 ILE 35 21.374 0.424 10.924
276 HG13 ILE 35 HG13 ILE 35 22.433 1.458 9.964
277 HG21 ILE 35 HG21 ILE 35 19.487 -1.038 8.660
278 HG22 ILE 35 HG22 ILE 35 18.602 0.434 9.057
279 HG23 ILE 35 HG23 ILE 35 19.535 -0.396 10.302
280 HD11 ILE 35 HD11 ILE 35 19.667 2.172 10.978
281 HD12 ILE 35 HD12 ILE 35 20.643 3.194 9.922
282 HD13 ILE 35 HD13 ILE 35 21.196 2.831 11.557
283 H GLN 36 H GLN 36 23.262 -2.021 7.289
284 HA GLN 36 HA GLN 36 22.892 -3.646 9.789
285 HB2 GLN 36 HB2 GLN 36 22.905 -4.322 6.852
286 HB3 GLN 36 HB3 GLN 36 23.358 -5.552 8.034
287 HG2 GLN 36 HG2 GLN 36 20.840 -3.966 8.454
288 HG3 GLN 36 HG3 GLN 36 20.837 -5.307 7.308
289 HE21 GLN 36 HE21 GLN 36 20.561 -7.383 8.192
290 HE22 GLN 36 HE22 GLN 36 20.704 -7.747 9.843
291 HA PRO 37 HA PRO 37 27.280 -3.709 10.114
292 HB2 PRO 37 HB2 PRO 37 27.743 -6.207 11.132
293 HB3 PRO 37 HB3 PRO 37 27.032 -4.890 12.085
294 HG2 PRO 37 HG2 PRO 37 25.708 -7.205 10.774
295 HG3 PRO 37 HG3 PRO 37 25.352 -6.430 12.325
296 HD2 PRO 37 HD2 PRO 37 23.900 -6.015 10.045
297 HD3 PRO 37 HD3 PRO 37 24.025 -4.836 11.371
298 H ALA 38 H ALA 38 28.002 -3.658 7.933
299 HA ALA 38 HA ALA 38 28.009 -6.077 6.266
300 HB1 ALA 38 HB1 ALA 38 28.791 -4.586 4.589
301 HB2 ALA 38 HB2 ALA 38 29.486 -3.485 5.777
302 HB3 ALA 38 HB3 ALA 38 27.737 -3.590 5.591
303 H MET 39 H MET 39 30.434 -4.117 8.019
304 HA MET 39 HA MET 39 32.577 -6.052 7.306
305 HB2 MET 39 HB2 MET 39 32.729 -3.482 7.244
306 HB3 MET 39 HB3 MET 39 32.755 -3.552 9.006
307 HG2 MET 39 HG2 MET 39 34.877 -4.386 9.071
308 HG3 MET 39 HG3 MET 39 34.628 -5.401 7.652
309 HE1 MET 39 HE1 MET 39 36.269 -1.179 7.949
310 HE2 MET 39 HE2 MET 39 36.458 -2.534 9.059
311 HE3 MET 39 HE3 MET 39 34.890 -1.748 8.899
312 H GLN 40 H GLN 40 31.124 -4.606 10.256
313 HA GLN 40 HA GLN 40 31.663 -7.145 11.719
314 HB2 GLN 40 HB2 GLN 40 33.005 -4.536 12.026
315 HB3 GLN 40 HB3 GLN 40 32.391 -5.200 13.541
316 HG2 GLN 40 HG2 GLN 40 34.141 -6.610 13.615
317 HG3 GLN 40 HG3 GLN 40 33.589 -7.351 12.114
318 HE21 GLN 40 HE21 GLN 40 35.033 -7.173 10.386
319 HE22 GLN 40 HE22 GLN 40 36.262 -6.009 10.263
Start of MODEL 19
1 HA ALA 1 HA ALA 1 -25.715 4.411 0.945
2 HB1 ALA 1 HB1 ALA 1 -25.517 4.899 3.360
3 HB2 ALA 1 HB2 ALA 1 -25.220 3.190 3.046
4 HB3 ALA 1 HB3 ALA 1 -26.771 3.709 3.705
5 H SER 2 H SER 2 -25.761 2.499 -0.200
6 HA SER 2 HA SER 2 -28.004 0.574 0.321
7 HB2 SER 2 HB2 SER 2 -26.966 1.690 -2.302
8 HB3 SER 2 HB3 SER 2 -28.081 0.331 -2.195
9 HG SER 2 HG SER 2 -29.358 2.096 -2.375
10 H ARG 3 H ARG 3 -27.486 -1.649 -0.353
11 HA ARG 3 HA ARG 3 -24.842 -2.514 0.312
12 HB2 ARG 3 HB2 ARG 3 -27.396 -3.619 -0.399
13 HB3 ARG 3 HB3 ARG 3 -26.157 -4.435 -1.353
14 HG2 ARG 3 HG2 ARG 3 -25.900 -4.018 1.633
15 HG3 ARG 3 HG3 ARG 3 -26.643 -5.456 0.935
16 HD2 ARG 3 HD2 ARG 3 -24.075 -4.838 -0.333
17 HD3 ARG 3 HD3 ARG 3 -23.916 -5.125 1.412
18 HE ARG 3 HE ARG 3 -25.426 -7.208 0.896
19 HH11 ARG 3 HH11 ARG 3 -25.460 -6.957 -2.035
20 HH12 ARG 3 HH12 ARG 3 -24.102 -7.912 -2.530
21 HH21 ARG 3 HH21 ARG 3 -22.644 -7.947 0.625
22 HH22 ARG 3 HH22 ARG 3 -22.500 -8.471 -1.019
23 H ALA 4 H ALA 4 -26.433 -2.149 -2.886
24 HA ALA 4 HA ALA 4 -24.248 -3.043 -4.495
25 HB1 ALA 4 HB1 ALA 4 -26.511 -2.747 -5.345
26 HB2 ALA 4 HB2 ALA 4 -25.439 -1.678 -6.248
27 HB3 ALA 4 HB3 ALA 4 -26.465 -1.024 -4.972
28 H ALA 5 H ALA 5 -25.077 0.210 -3.260
29 HA ALA 5 HA ALA 5 -22.939 1.630 -4.561
30 HB1 ALA 5 HB1 ALA 5 -25.022 2.569 -3.484
31 HB2 ALA 5 HB2 ALA 5 -23.541 3.384 -2.985
32 HB3 ALA 5 HB3 ALA 5 -24.306 2.212 -1.913
33 H LEU 6 H LEU 6 -23.188 -0.013 -1.402
34 HA LEU 6 HA LEU 6 -20.679 0.782 -0.298
35 HB2 LEU 6 HB2 LEU 6 -22.697 -1.373 0.052
36 HB3 LEU 6 HB3 LEU 6 -21.095 -1.718 0.701
37 HG LEU 6 HG LEU 6 -22.530 0.880 1.279
38 HD11 LEU 6 HD11 LEU 6 -22.567 -1.685 2.903
39 HD12 LEU 6 HD12 LEU 6 -23.947 -0.988 2.054
40 HD13 LEU 6 HD13 LEU 6 -23.231 -0.134 3.420
41 HD21 LEU 6 HD21 LEU 6 -20.154 -0.613 2.396
42 HD22 LEU 6 HD22 LEU 6 -20.984 0.618 3.348
43 HD23 LEU 6 HD23 LEU 6 -20.231 1.050 1.813
44 H ILE 7 H ILE 7 -21.536 -1.918 -2.468
45 HA ILE 7 HA ILE 7 -18.927 -3.164 -2.483
46 HB ILE 7 HB ILE 7 -21.252 -3.180 -4.441
47 HG12 ILE 7 HG12 ILE 7 -20.530 -5.428 -2.587
48 HG13 ILE 7 HG13 ILE 7 -21.394 -4.038 -1.932
49 HG21 ILE 7 HG21 ILE 7 -19.507 -4.039 -5.732
50 HG22 ILE 7 HG22 ILE 7 -20.116 -5.502 -4.957
51 HG23 ILE 7 HG23 ILE 7 -18.668 -4.712 -4.334
52 HD11 ILE 7 HD11 ILE 7 -22.924 -4.401 -4.066
53 HD12 ILE 7 HD12 ILE 7 -23.182 -5.351 -2.603
54 HD13 ILE 7 HD13 ILE 7 -22.297 -6.046 -3.961
55 H GLU 8 H GLU 8 -20.477 -0.686 -4.535
56 HA GLU 8 HA GLU 8 -18.495 -0.532 -6.583
57 HB2 GLU 8 HB2 GLU 8 -20.843 0.509 -6.397
58 HB3 GLU 8 HB3 GLU 8 -20.081 1.785 -5.446
59 HG2 GLU 8 HG2 GLU 8 -19.991 2.664 -7.617
60 HG3 GLU 8 HG3 GLU 8 -18.400 1.924 -7.449
61 H GLU 9 H GLU 9 -18.784 1.300 -3.508
62 HA GLU 9 HA GLU 9 -16.339 2.808 -3.887
63 HB2 GLU 9 HB2 GLU 9 -18.460 2.428 -1.902
64 HB3 GLU 9 HB3 GLU 9 -16.882 2.662 -1.150
65 HG2 GLU 9 HG2 GLU 9 -16.655 4.615 -2.902
66 HG3 GLU 9 HG3 GLU 9 -18.416 4.519 -2.946
67 H GLY 10 H GLY 10 -17.130 -0.135 -1.990
68 HA2 GLY 10 HA2 GLY 10 -14.520 -0.539 -0.899
69 HA3 GLY 10 HA3 GLY 10 -15.728 -1.805 -1.113
70 H GLN 11 H GLN 11 -16.004 -1.629 -3.949
71 HA GLN 11 HA GLN 11 -13.879 -3.319 -4.850
72 HB2 GLN 11 HB2 GLN 11 -16.228 -3.068 -5.761
73 HB3 GLN 11 HB3 GLN 11 -15.720 -1.544 -6.488
74 HG2 GLN 11 HG2 GLN 11 -13.731 -3.290 -7.293
75 HG3 GLN 11 HG3 GLN 11 -15.180 -4.297 -7.350
76 HE21 GLN 11 HE21 GLN 11 -16.421 -4.086 -9.224
77 HE22 GLN 11 HE22 GLN 11 -16.355 -2.763 -10.284
78 H ARG 12 H ARG 12 -14.436 0.193 -5.225
79 HA ARG 12 HA ARG 12 -12.104 0.689 -6.870
80 HB2 ARG 12 HB2 ARG 12 -14.085 2.260 -5.252
81 HB3 ARG 12 HB3 ARG 12 -12.617 3.075 -5.796
82 HG2 ARG 12 HG2 ARG 12 -13.646 1.551 -7.989
83 HG3 ARG 12 HG3 ARG 12 -14.972 2.497 -7.311
84 HD2 ARG 12 HD2 ARG 12 -13.976 4.525 -7.836
85 HD3 ARG 12 HD3 ARG 12 -12.332 3.867 -7.705
86 HE ARG 12 HE ARG 12 -14.143 3.527 -10.042
87 HH11 ARG 12 HH11 ARG 12 -11.281 4.693 -9.967
88 HH12 ARG 12 HH12 ARG 12 -10.392 3.402 -10.704
89 HH21 ARG 12 HH21 ARG 12 -12.958 1.083 -10.342
90 HH22 ARG 12 HH22 ARG 12 -11.348 1.353 -10.926
91 H ILE 13 H ILE 13 -12.761 0.874 -3.363
92 HA ILE 13 HA ILE 13 -10.168 1.868 -2.584
93 HB ILE 13 HB ILE 13 -12.341 0.276 -1.179
94 HG12 ILE 13 HG12 ILE 13 -11.567 3.158 -0.723
95 HG13 ILE 13 HG13 ILE 13 -12.663 2.717 -2.032
96 HG21 ILE 13 HG21 ILE 13 -11.101 1.296 0.899
97 HG22 ILE 13 HG22 ILE 13 -9.712 1.352 -0.186
98 HG23 ILE 13 HG23 ILE 13 -10.486 -0.191 0.173
99 HD11 ILE 13 HD11 ILE 13 -13.846 1.334 -0.078
100 HD12 ILE 13 HD12 ILE 13 -14.211 3.037 -0.351
101 HD13 ILE 13 HD13 ILE 13 -13.082 2.570 0.920
102 H ALA 14 H ALA 14 -11.534 -1.420 -2.930
103 HA ALA 14 HA ALA 14 -9.338 -2.927 -1.922
104 HB1 ALA 14 HB1 ALA 14 -11.484 -3.926 -2.407
105 HB2 ALA 14 HB2 ALA 14 -10.311 -4.688 -3.482
106 HB3 ALA 14 HB3 ALA 14 -11.389 -3.437 -4.098
107 H GLU 15 H GLU 15 -9.907 -1.566 -5.179
108 HA GLU 15 HA GLU 15 -7.660 -2.778 -6.495
109 HB2 GLU 15 HB2 GLU 15 -9.793 -1.244 -7.208
110 HB3 GLU 15 HB3 GLU 15 -8.515 -0.029 -7.253
111 HG2 GLU 15 HG2 GLU 15 -7.734 -2.573 -8.499
112 HG3 GLU 15 HG3 GLU 15 -9.103 -1.798 -9.296
113 H MET 16 H MET 16 -8.031 0.404 -4.885
114 HA MET 16 HA MET 16 -5.245 1.168 -5.234
115 HB2 MET 16 HB2 MET 16 -7.436 2.555 -4.803
116 HB3 MET 16 HB3 MET 16 -7.098 2.222 -3.105
117 HG2 MET 16 HG2 MET 16 -5.979 4.260 -3.479
118 HG3 MET 16 HG3 MET 16 -4.696 3.063 -3.648
119 HE1 MET 16 HE1 MET 16 -6.803 5.794 -5.218
120 HE2 MET 16 HE2 MET 16 -7.678 4.379 -5.798
121 HE3 MET 16 HE3 MET 16 -6.842 5.419 -6.947
122 H LEU 17 H LEU 17 -7.080 -0.575 -2.770
123 HA LEU 17 HA LEU 17 -5.312 -0.413 -0.561
124 HB2 LEU 17 HB2 LEU 17 -7.603 -1.332 -0.535
125 HB3 LEU 17 HB3 LEU 17 -7.073 -2.690 -1.525
126 HG LEU 17 HG LEU 17 -5.536 -3.410 0.253
127 HD11 LEU 17 HD11 LEU 17 -5.990 -2.187 2.541
128 HD12 LEU 17 HD12 LEU 17 -6.476 -0.844 1.506
129 HD13 LEU 17 HD13 LEU 17 -4.841 -1.496 1.396
130 HD21 LEU 17 HD21 LEU 17 -7.324 -3.870 2.034
131 HD22 LEU 17 HD22 LEU 17 -7.706 -4.395 0.394
132 HD23 LEU 17 HD23 LEU 17 -8.417 -2.914 1.034
133 H LYS 18 H LYS 18 -5.301 -2.657 -3.326
134 HA LYS 18 HA LYS 18 -3.154 -4.345 -2.456
135 HB2 LYS 18 HB2 LYS 18 -4.518 -3.602 -5.010
136 HB3 LYS 18 HB3 LYS 18 -2.957 -4.410 -5.147
137 HG2 LYS 18 HG2 LYS 18 -3.753 -6.263 -3.764
138 HG3 LYS 18 HG3 LYS 18 -5.293 -5.442 -3.510
139 HD2 LYS 18 HD2 LYS 18 -5.765 -6.951 -5.257
140 HD3 LYS 18 HD3 LYS 18 -5.471 -5.430 -6.100
141 HE2 LYS 18 HE2 LYS 18 -3.126 -6.118 -6.530
142 HE3 LYS 18 HE3 LYS 18 -3.438 -7.659 -5.706
143 HZ1 LYS 18 HZ1 LYS 18 -5.192 -8.139 -7.264
144 HZ2 LYS 18 HZ2 LYS 18 -3.771 -7.805 -8.132
145 HZ3 LYS 18 HZ3 LYS 18 -4.998 -6.634 -8.024
146 H SER 19 H SER 19 -3.178 -1.353 -4.409
147 HA SER 19 HA SER 19 -0.353 -1.194 -4.897
148 HB2 SER 19 HB2 SER 19 -2.341 1.076 -4.565
149 HB3 SER 19 HB3 SER 19 -0.882 1.077 -5.550
150 HG SER 19 HG SER 19 -3.365 0.212 -6.157
151 H LYS 20 H LYS 20 -2.421 -0.011 -2.249
152 HA LYS 20 HA LYS 20 -0.455 1.532 -0.842
153 HB2 LYS 20 HB2 LYS 20 -3.025 0.105 -0.175
154 HB3 LYS 20 HB3 LYS 20 -2.088 0.869 1.108
155 HG2 LYS 20 HG2 LYS 20 -2.155 3.013 -0.124
156 HG3 LYS 20 HG3 LYS 20 -3.111 2.247 -1.393
157 HD2 LYS 20 HD2 LYS 20 -4.850 3.077 -0.142
158 HD3 LYS 20 HD3 LYS 20 -4.616 1.563 0.732
159 HE2 LYS 20 HE2 LYS 20 -3.130 2.725 2.348
160 HE3 LYS 20 HE3 LYS 20 -3.400 4.250 1.481
161 HZ1 LYS 20 HZ1 LYS 20 -4.973 4.043 3.296
162 HZ2 LYS 20 HZ2 LYS 20 -5.502 2.538 2.710
163 HZ3 LYS 20 HZ3 LYS 20 -5.794 3.953 1.815
164 H ILE 21 H ILE 21 -1.383 -1.915 -0.628
165 HA ILE 21 HA ILE 21 0.261 -2.648 1.586
166 HB ILE 21 HB ILE 21 -0.810 -4.103 -0.846
167 HG12 ILE 21 HG12 ILE 21 -2.421 -3.241 0.862
168 HG13 ILE 21 HG13 ILE 21 -2.430 -4.999 0.749
169 HG21 ILE 21 HG21 ILE 21 1.049 -5.449 -0.243
170 HG22 ILE 21 HG22 ILE 21 -0.324 -6.195 0.575
171 HG23 ILE 21 HG23 ILE 21 0.793 -5.173 1.481
172 HD11 ILE 21 HD11 ILE 21 -1.751 -5.224 2.891
173 HD12 ILE 21 HD12 ILE 21 -2.079 -3.502 3.079
174 HD13 ILE 21 HD13 ILE 21 -0.453 -4.051 2.675
175 H GLN 22 H GLN 22 0.968 -2.370 -1.870
176 HA GLN 22 HA GLN 22 3.621 -3.523 -1.767
177 HB2 GLN 22 HB2 GLN 22 2.118 -1.700 -3.664
178 HB3 GLN 22 HB3 GLN 22 3.759 -2.254 -4.000
179 HG2 GLN 22 HG2 GLN 22 3.071 -4.559 -3.997
180 HG3 GLN 22 HG3 GLN 22 1.475 -4.140 -3.371
181 HE21 GLN 22 HE21 GLN 22 3.437 -4.311 -6.278
182 HE22 GLN 22 HE22 GLN 22 2.214 -3.838 -7.357
183 H GLY 23 H GLY 23 2.400 -0.152 -1.697
184 HA2 GLY 23 HA2 GLY 23 4.936 1.147 -1.581
185 HA3 GLY 23 HA3 GLY 23 3.427 1.832 -0.973
186 H LEU 24 H LEU 24 2.797 -0.049 1.019
187 HA LEU 24 HA LEU 24 4.333 0.853 3.251
188 HB2 LEU 24 HB2 LEU 24 2.142 -0.977 2.641
189 HB3 LEU 24 HB3 LEU 24 3.164 -1.609 3.932
190 HG LEU 24 HG LEU 24 3.007 0.806 4.913
191 HD11 LEU 24 HD11 LEU 24 0.466 0.747 3.263
192 HD12 LEU 24 HD12 LEU 24 1.895 1.674 2.805
193 HD13 LEU 24 HD13 LEU 24 1.040 2.052 4.300
194 HD21 LEU 24 HD21 LEU 24 0.806 0.192 6.000
195 HD22 LEU 24 HD22 LEU 24 2.020 -1.086 6.048
196 HD23 LEU 24 HD23 LEU 24 0.702 -1.166 4.879
197 H LEU 25 H LEU 25 4.536 -2.156 1.334
198 HA LEU 25 HA LEU 25 6.515 -3.509 2.884
199 HB2 LEU 25 HB2 LEU 25 5.038 -4.322 0.951
200 HB3 LEU 25 HB3 LEU 25 6.211 -3.569 -0.130
201 HG LEU 25 HG LEU 25 7.979 -4.936 1.211
202 HD11 LEU 25 HD11 LEU 25 6.993 -7.102 2.050
203 HD12 LEU 25 HD12 LEU 25 5.396 -6.371 1.890
204 HD13 LEU 25 HD13 LEU 25 6.566 -5.694 3.022
205 HD21 LEU 25 HD21 LEU 25 7.617 -6.881 -0.280
206 HD22 LEU 25 HD22 LEU 25 7.382 -5.361 -1.145
207 HD23 LEU 25 HD23 LEU 25 5.987 -6.307 -0.626
208 H GLN 26 H GLN 26 6.850 -1.200 0.168
209 HA GLN 26 HA GLN 26 9.714 -1.313 -0.035
210 HB2 GLN 26 HB2 GLN 26 7.764 -0.258 -1.509
211 HB3 GLN 26 HB3 GLN 26 8.146 1.189 -0.575
212 HG2 GLN 26 HG2 GLN 26 10.338 1.303 -1.402
213 HG3 GLN 26 HG3 GLN 26 10.354 -0.398 -1.868
214 HE21 GLN 26 HE21 GLN 26 8.421 -0.872 -3.580
215 HE22 GLN 26 HE22 GLN 26 8.330 0.251 -4.850
216 H GLN 27 H GLN 27 7.519 0.731 1.902
217 HA GLN 27 HA GLN 27 9.514 2.475 3.007
218 HB2 GLN 27 HB2 GLN 27 6.693 1.815 3.327
219 HB3 GLN 27 HB3 GLN 27 7.447 2.167 4.881
220 HG2 GLN 27 HG2 GLN 27 7.537 4.368 4.413
221 HG3 GLN 27 HG3 GLN 27 8.344 4.057 2.876
222 HE21 GLN 27 HE21 GLN 27 7.145 4.868 1.149
223 HE22 GLN 27 HE22 GLN 27 5.450 4.909 1.071
224 H ALA 28 H ALA 28 8.190 -0.635 4.103
225 HA ALA 28 HA ALA 28 9.498 -0.782 6.637
226 HB1 ALA 28 HB1 ALA 28 8.323 -2.689 4.645
227 HB2 ALA 28 HB2 ALA 28 7.814 -2.357 6.301
228 HB3 ALA 28 HB3 ALA 28 9.240 -3.350 5.998
229 H SER 29 H SER 29 10.532 -1.879 3.412
230 HA SER 29 HA SER 29 13.028 -3.065 4.215
231 HB2 SER 29 HB2 SER 29 11.658 -3.192 2.005
232 HB3 SER 29 HB3 SER 29 12.489 -1.702 1.571
233 HG SER 29 HG SER 29 14.441 -2.772 1.746
234 H LYS 30 H LYS 30 12.136 0.232 3.195
235 HA LYS 30 HA LYS 30 14.766 1.363 3.084
236 HB2 LYS 30 HB2 LYS 30 12.418 2.218 2.325
237 HB3 LYS 30 HB3 LYS 30 12.273 2.816 3.978
238 HG2 LYS 30 HG2 LYS 30 14.646 3.849 3.516
239 HG3 LYS 30 HG3 LYS 30 14.188 3.660 1.822
240 HD2 LYS 30 HD2 LYS 30 13.346 5.781 2.241
241 HD3 LYS 30 HD3 LYS 30 11.938 4.796 2.640
242 HE2 LYS 30 HE2 LYS 30 13.098 4.763 5.055
243 HE3 LYS 30 HE3 LYS 30 13.779 6.292 4.466
244 HZ1 LYS 30 HZ1 LYS 30 10.898 5.542 4.477
245 HZ2 LYS 30 HZ2 LYS 30 11.527 6.973 3.807
246 HZ3 LYS 30 HZ3 LYS 30 11.634 6.694 5.481
247 H GLN 31 H GLN 31 12.394 1.129 5.755
248 HA GLN 31 HA GLN 31 13.935 2.575 7.705
249 HB2 GLN 31 HB2 GLN 31 11.724 0.511 7.784
250 HB3 GLN 31 HB3 GLN 31 12.384 1.213 9.263
251 HG2 GLN 31 HG2 GLN 31 11.910 3.495 8.314
252 HG3 GLN 31 HG3 GLN 31 11.090 2.708 6.965
253 HE21 GLN 31 HE21 GLN 31 10.702 3.784 10.231
254 HE22 GLN 31 HE22 GLN 31 9.159 3.124 10.488
255 H ALA 32 H ALA 32 13.891 -0.845 6.725
256 HA ALA 32 HA ALA 32 15.458 -1.936 8.855
257 HB1 ALA 32 HB1 ALA 32 15.728 -3.784 7.344
258 HB2 ALA 32 HB2 ALA 32 15.549 -2.743 5.932
259 HB3 ALA 32 HB3 ALA 32 14.156 -3.085 6.959
260 H GLN 33 H GLN 33 16.370 -0.387 5.778
261 HA GLN 33 HA GLN 33 19.228 -0.746 6.052
262 HB2 GLN 33 HB2 GLN 33 17.275 0.701 4.352
263 HB3 GLN 33 HB3 GLN 33 18.872 1.441 4.436
264 HG2 GLN 33 HG2 GLN 33 19.443 -0.042 2.818
265 HG3 GLN 33 HG3 GLN 33 19.493 -1.226 4.122
266 HE21 GLN 33 HE21 GLN 33 18.146 -3.016 3.825
267 HE22 GLN 33 HE22 GLN 33 16.788 -3.052 2.807
268 H ASP 34 H ASP 34 16.933 1.732 7.141
269 HA ASP 34 HA ASP 34 18.766 3.808 7.833
270 HB2 ASP 34 HB2 ASP 34 16.004 2.943 8.537
271 HB3 ASP 34 HB3 ASP 34 16.774 4.072 9.652
272 H ILE 35 H ILE 35 17.936 0.792 9.477
273 HA ILE 35 HA ILE 35 19.459 1.607 11.906
274 HB ILE 35 HB ILE 35 17.925 -0.949 11.318
275 HG12 ILE 35 HG12 ILE 35 16.429 0.985 11.002
276 HG13 ILE 35 HG13 ILE 35 16.016 0.126 12.483
277 HG21 ILE 35 HG21 ILE 35 19.145 -1.338 13.266
278 HG22 ILE 35 HG22 ILE 35 17.651 -0.669 13.923
279 HG23 ILE 35 HG23 ILE 35 19.081 0.353 13.766
280 HD11 ILE 35 HD11 ILE 35 16.968 2.868 12.134
281 HD12 ILE 35 HD12 ILE 35 17.921 1.974 13.318
282 HD13 ILE 35 HD13 ILE 35 16.176 2.126 13.524
283 H GLN 36 H GLN 36 20.628 0.838 9.118
284 HA GLN 36 HA GLN 36 22.401 -1.389 10.072
285 HB2 GLN 36 HB2 GLN 36 20.770 -1.728 8.111
286 HB3 GLN 36 HB3 GLN 36 21.795 -0.612 7.208
287 HG2 GLN 36 HG2 GLN 36 23.550 -2.099 7.088
288 HG3 GLN 36 HG3 GLN 36 23.150 -2.861 8.628
289 HE21 GLN 36 HE21 GLN 36 22.238 -4.914 8.427
290 HE22 GLN 36 HE22 GLN 36 21.401 -5.478 7.062
291 HA PRO 37 HA PRO 37 25.035 2.366 9.607
292 HB2 PRO 37 HB2 PRO 37 26.671 1.775 11.723
293 HB3 PRO 37 HB3 PRO 37 25.136 2.649 11.900
294 HG2 PRO 37 HG2 PRO 37 25.753 -0.215 12.419
295 HG3 PRO 37 HG3 PRO 37 24.710 0.897 13.318
296 HD2 PRO 37 HD2 PRO 37 23.765 -0.983 11.587
297 HD3 PRO 37 HD3 PRO 37 22.920 0.540 11.938
298 H ALA 38 H ALA 38 27.188 2.441 8.766
299 HA ALA 38 HA ALA 38 28.250 -0.190 7.845
300 HB1 ALA 38 HB1 ALA 38 29.375 1.178 6.161
301 HB2 ALA 38 HB2 ALA 38 28.925 2.652 7.017
302 HB3 ALA 38 HB3 ALA 38 27.681 1.663 6.252
303 H MET 39 H MET 39 29.375 2.859 9.358
304 HA MET 39 HA MET 39 32.053 1.807 9.880
305 HB2 MET 39 HB2 MET 39 32.383 3.985 10.910
306 HB3 MET 39 HB3 MET 39 31.442 4.209 9.438
307 HG2 MET 39 HG2 MET 39 29.419 3.857 11.191
308 HG3 MET 39 HG3 MET 39 30.624 4.546 12.279
309 HE1 MET 39 HE1 MET 39 27.732 6.806 10.106
310 HE2 MET 39 HE2 MET 39 27.762 5.287 10.999
311 HE3 MET 39 HE3 MET 39 28.134 5.295 9.277
312 H GLN 40 H GLN 40 29.003 1.919 11.634
313 HA GLN 40 HA GLN 40 30.350 1.032 14.149
314 HB2 GLN 40 HB2 GLN 40 27.588 2.078 13.458
315 HB3 GLN 40 HB3 GLN 40 28.021 1.502 15.066
316 HG2 GLN 40 HG2 GLN 40 30.062 3.310 14.182
317 HG3 GLN 40 HG3 GLN 40 28.495 4.082 13.941
318 HE21 GLN 40 HE21 GLN 40 30.116 2.076 16.488
319 HE22 GLN 40 HE22 GLN 40 29.512 2.987 17.785
Start of MODEL 20
1 HA ALA 1 HA ALA 1 -27.525 2.217 -1.834
2 HB1 ALA 1 HB1 ALA 1 -28.350 3.213 0.322
3 HB2 ALA 1 HB2 ALA 1 -27.458 1.710 0.553
4 HB3 ALA 1 HB3 ALA 1 -29.219 1.710 0.635
5 H SER 2 H SER 2 -26.760 0.139 -2.225
6 HA SER 2 HA SER 2 -28.682 -2.146 -1.946
7 HB2 SER 2 HB2 SER 2 -27.077 -1.179 -4.301
8 HB3 SER 2 HB3 SER 2 -27.497 -2.884 -4.169
9 HG SER 2 HG SER 2 -29.098 -1.740 -5.299
10 H ARG 3 H ARG 3 -27.621 -4.225 -1.658
11 HA ARG 3 HA ARG 3 -25.353 -4.270 0.047
12 HB2 ARG 3 HB2 ARG 3 -26.664 -6.312 -1.764
13 HB3 ARG 3 HB3 ARG 3 -25.352 -6.741 -0.666
14 HG2 ARG 3 HG2 ARG 3 -26.646 -6.466 1.215
15 HG3 ARG 3 HG3 ARG 3 -27.621 -5.188 0.486
16 HD2 ARG 3 HD2 ARG 3 -28.538 -7.078 -1.065
17 HD3 ARG 3 HD3 ARG 3 -27.905 -8.175 0.178
18 HE ARG 3 HE ARG 3 -29.450 -7.232 1.762
19 HH11 ARG 3 HH11 ARG 3 -31.007 -7.271 -0.965
20 HH12 ARG 3 HH12 ARG 3 -31.838 -5.756 -0.848
21 HH21 ARG 3 HH21 ARG 3 -29.879 -4.588 1.776
22 HH22 ARG 3 HH22 ARG 3 -31.199 -4.233 0.713
23 H ALA 4 H ALA 4 -25.539 -5.027 -3.456
24 HA ALA 4 HA ALA 4 -22.740 -5.493 -3.851
25 HB1 ALA 4 HB1 ALA 4 -24.841 -5.955 -5.326
26 HB2 ALA 4 HB2 ALA 4 -23.341 -5.510 -6.139
27 HB3 ALA 4 HB3 ALA 4 -24.607 -4.305 -5.905
28 H ALA 5 H ALA 5 -24.718 -2.524 -4.185
29 HA ALA 5 HA ALA 5 -22.703 -0.775 -5.179
30 HB1 ALA 5 HB1 ALA 5 -24.906 0.023 -5.223
31 HB2 ALA 5 HB2 ALA 5 -24.236 0.918 -3.858
32 HB3 ALA 5 HB3 ALA 5 -25.232 -0.510 -3.574
33 H LEU 6 H LEU 6 -23.578 -1.623 -1.817
34 HA LEU 6 HA LEU 6 -21.859 0.172 -0.436
35 HB2 LEU 6 HB2 LEU 6 -23.344 -2.321 0.048
36 HB3 LEU 6 HB3 LEU 6 -21.914 -2.165 1.066
37 HG LEU 6 HG LEU 6 -23.879 -1.164 2.163
38 HD11 LEU 6 HD11 LEU 6 -21.447 -0.137 2.170
39 HD12 LEU 6 HD12 LEU 6 -22.782 0.741 2.915
40 HD13 LEU 6 HD13 LEU 6 -22.227 1.184 1.302
41 HD21 LEU 6 HD21 LEU 6 -23.922 0.661 -0.264
42 HD22 LEU 6 HD22 LEU 6 -24.916 0.863 1.177
43 HD23 LEU 6 HD23 LEU 6 -25.141 -0.547 0.144
44 H ILE 7 H ILE 7 -21.177 -2.924 -2.015
45 HA ILE 7 HA ILE 7 -18.435 -3.092 -0.964
46 HB ILE 7 HB ILE 7 -19.936 -4.600 -3.137
47 HG12 ILE 7 HG12 ILE 7 -19.287 -5.711 -0.426
48 HG13 ILE 7 HG13 ILE 7 -20.657 -4.611 -0.578
49 HG21 ILE 7 HG21 ILE 7 -17.371 -5.298 -1.672
50 HG22 ILE 7 HG22 ILE 7 -17.475 -4.778 -3.353
51 HG23 ILE 7 HG23 ILE 7 -18.190 -6.313 -2.860
52 HD11 ILE 7 HD11 ILE 7 -21.308 -6.139 -2.610
53 HD12 ILE 7 HD12 ILE 7 -21.666 -6.680 -0.970
54 HD13 ILE 7 HD13 ILE 7 -20.259 -7.317 -1.821
55 H GLU 8 H GLU 8 -20.050 -2.091 -3.969
56 HA GLU 8 HA GLU 8 -17.804 -1.843 -5.687
57 HB2 GLU 8 HB2 GLU 8 -20.508 -0.555 -5.415
58 HB3 GLU 8 HB3 GLU 8 -19.393 0.031 -6.651
59 HG2 GLU 8 HG2 GLU 8 -19.469 -1.940 -7.855
60 HG3 GLU 8 HG3 GLU 8 -19.788 -2.924 -6.428
61 H GLU 9 H GLU 9 -19.302 0.691 -3.622
62 HA GLU 9 HA GLU 9 -17.507 2.805 -4.211
63 HB2 GLU 9 HB2 GLU 9 -18.325 3.719 -2.059
64 HB3 GLU 9 HB3 GLU 9 -19.642 3.002 -2.987
65 HG2 GLU 9 HG2 GLU 9 -19.195 0.849 -1.657
66 HG3 GLU 9 HG3 GLU 9 -18.211 1.845 -0.588
67 H GLY 10 H GLY 10 -17.048 -0.001 -2.121
68 HA2 GLY 10 HA2 GLY 10 -14.594 1.170 -0.944
69 HA3 GLY 10 HA3 GLY 10 -15.327 -0.362 -0.480
70 H GLN 11 H GLN 11 -15.544 -1.680 -2.902
71 HA GLN 11 HA GLN 11 -12.983 -2.802 -3.310
72 HB2 GLN 11 HB2 GLN 11 -15.458 -3.465 -4.006
73 HB3 GLN 11 HB3 GLN 11 -14.999 -2.705 -5.531
74 HG2 GLN 11 HG2 GLN 11 -13.013 -4.174 -5.664
75 HG3 GLN 11 HG3 GLN 11 -13.482 -4.940 -4.147
76 HE21 GLN 11 HE21 GLN 11 -15.693 -6.057 -4.168
77 HE22 GLN 11 HE22 GLN 11 -16.226 -6.743 -5.626
78 H ARG 12 H ARG 12 -14.566 -0.139 -5.101
79 HA ARG 12 HA ARG 12 -12.670 0.119 -7.218
80 HB2 ARG 12 HB2 ARG 12 -15.006 1.323 -6.419
81 HB3 ARG 12 HB3 ARG 12 -13.835 2.606 -6.117
82 HG2 ARG 12 HG2 ARG 12 -12.985 1.798 -8.552
83 HG3 ARG 12 HG3 ARG 12 -14.695 1.391 -8.692
84 HD2 ARG 12 HD2 ARG 12 -15.094 3.577 -9.154
85 HD3 ARG 12 HD3 ARG 12 -14.614 3.957 -7.488
86 HE ARG 12 HE ARG 12 -12.735 3.908 -9.817
87 HH11 ARG 12 HH11 ARG 12 -11.579 3.386 -7.049
88 HH12 ARG 12 HH12 ARG 12 -11.077 4.976 -6.584
89 HH21 ARG 12 HH21 ARG 12 -12.962 6.566 -9.034
90 HH22 ARG 12 HH22 ARG 12 -11.862 6.785 -7.714
91 H ILE 13 H ILE 13 -12.747 1.703 -4.001
92 HA ILE 13 HA ILE 13 -10.170 3.039 -4.469
93 HB ILE 13 HB ILE 13 -12.229 2.859 -2.277
94 HG12 ILE 13 HG12 ILE 13 -11.710 5.469 -2.614
95 HG13 ILE 13 HG13 ILE 13 -11.140 4.892 -4.178
96 HG21 ILE 13 HG21 ILE 13 -10.662 4.511 -1.031
97 HG22 ILE 13 HG22 ILE 13 -9.378 3.814 -2.017
98 HG23 ILE 13 HG23 ILE 13 -10.298 2.789 -0.916
99 HD11 ILE 13 HD11 ILE 13 -13.244 4.214 -4.851
100 HD12 ILE 13 HD12 ILE 13 -13.696 5.549 -3.792
101 HD13 ILE 13 HD13 ILE 13 -13.780 3.890 -3.203
102 H ALA 14 H ALA 14 -11.373 0.209 -2.663
103 HA ALA 14 HA ALA 14 -9.099 -0.413 -1.101
104 HB1 ALA 14 HB1 ALA 14 -11.026 -2.233 -2.586
105 HB2 ALA 14 HB2 ALA 14 -11.283 -1.547 -0.982
106 HB3 ALA 14 HB3 ALA 14 -10.002 -2.730 -1.240
107 H GLU 15 H GLU 15 -9.810 -1.369 -4.486
108 HA GLU 15 HA GLU 15 -7.436 -2.904 -4.942
109 HB2 GLU 15 HB2 GLU 15 -9.628 -2.657 -6.294
110 HB3 GLU 15 HB3 GLU 15 -8.894 -1.210 -6.985
111 HG2 GLU 15 HG2 GLU 15 -8.249 -2.849 -8.522
112 HG3 GLU 15 HG3 GLU 15 -6.852 -2.796 -7.446
113 H MET 16 H MET 16 -8.145 0.556 -5.538
114 HA MET 16 HA MET 16 -5.572 1.229 -6.645
115 HB2 MET 16 HB2 MET 16 -8.068 2.485 -5.884
116 HB3 MET 16 HB3 MET 16 -6.711 3.482 -5.361
117 HG2 MET 16 HG2 MET 16 -5.890 3.735 -7.546
118 HG3 MET 16 HG3 MET 16 -6.756 2.318 -8.138
119 HE1 MET 16 HE1 MET 16 -9.021 2.009 -8.340
120 HE2 MET 16 HE2 MET 16 -8.809 2.875 -9.859
121 HE3 MET 16 HE3 MET 16 -10.199 3.232 -8.836
122 H LEU 17 H LEU 17 -6.885 1.409 -3.319
123 HA LEU 17 HA LEU 17 -4.485 2.576 -2.173
124 HB2 LEU 17 HB2 LEU 17 -7.005 2.458 -1.388
125 HB3 LEU 17 HB3 LEU 17 -6.486 0.949 -0.634
126 HG LEU 17 HG LEU 17 -4.499 2.403 0.278
127 HD11 LEU 17 HD11 LEU 17 -5.079 4.397 -1.081
128 HD12 LEU 17 HD12 LEU 17 -5.120 4.751 0.646
129 HD13 LEU 17 HD13 LEU 17 -6.626 4.506 -0.240
130 HD21 LEU 17 HD21 LEU 17 -7.352 2.303 1.226
131 HD22 LEU 17 HD22 LEU 17 -6.166 3.237 2.137
132 HD23 LEU 17 HD23 LEU 17 -5.928 1.506 1.897
133 H LYS 18 H LYS 18 -5.559 -0.694 -2.827
134 HA LYS 18 HA LYS 18 -3.921 -2.192 -1.054
135 HB2 LYS 18 HB2 LYS 18 -5.785 -3.015 -2.499
136 HB3 LYS 18 HB3 LYS 18 -4.754 -2.802 -3.912
137 HG2 LYS 18 HG2 LYS 18 -3.694 -4.756 -3.530
138 HG3 LYS 18 HG3 LYS 18 -3.400 -4.338 -1.843
139 HD2 LYS 18 HD2 LYS 18 -4.821 -6.387 -2.118
140 HD3 LYS 18 HD3 LYS 18 -5.615 -5.106 -1.206
141 HE2 LYS 18 HE2 LYS 18 -7.275 -5.854 -2.752
142 HE3 LYS 18 HE3 LYS 18 -6.628 -4.381 -3.497
143 HZ1 LYS 18 HZ1 LYS 18 -6.216 -5.711 -5.242
144 HZ2 LYS 18 HZ2 LYS 18 -6.341 -7.137 -4.325
145 HZ3 LYS 18 HZ3 LYS 18 -4.886 -6.261 -4.341
146 H SER 19 H SER 19 -3.227 -1.211 -4.446
147 HA SER 19 HA SER 19 -0.548 -2.224 -4.528
148 HB2 SER 19 HB2 SER 19 -2.181 -0.192 -6.022
149 HB3 SER 19 HB3 SER 19 -0.456 -0.317 -6.360
150 HG SER 19 HG SER 19 -0.744 -2.279 -7.168
151 H LYS 20 H LYS 20 -1.869 0.875 -3.394
152 HA LYS 20 HA LYS 20 0.635 2.281 -3.161
153 HB2 LYS 20 HB2 LYS 20 -2.186 2.562 -2.378
154 HB3 LYS 20 HB3 LYS 20 -1.074 3.301 -1.226
155 HG2 LYS 20 HG2 LYS 20 -1.271 5.062 -2.695
156 HG3 LYS 20 HG3 LYS 20 0.051 4.202 -3.485
157 HD2 LYS 20 HD2 LYS 20 -1.881 2.910 -4.705
158 HD3 LYS 20 HD3 LYS 20 -2.858 4.303 -4.241
159 HE2 LYS 20 HE2 LYS 20 -0.185 4.681 -5.607
160 HE3 LYS 20 HE3 LYS 20 -1.666 4.410 -6.546
161 HZ1 LYS 20 HZ1 LYS 20 -2.697 6.205 -5.142
162 HZ2 LYS 20 HZ2 LYS 20 -1.503 6.736 -6.226
163 HZ3 LYS 20 HZ3 LYS 20 -1.139 6.568 -4.575
164 H ILE 21 H ILE 21 -1.298 0.443 -0.755
165 HA ILE 21 HA ILE 21 0.536 0.792 1.432
166 HB ILE 21 HB ILE 21 -1.564 -1.301 0.780
167 HG12 ILE 21 HG12 ILE 21 -1.679 1.012 2.738
168 HG13 ILE 21 HG13 ILE 21 -2.224 1.152 1.066
169 HG21 ILE 21 HG21 ILE 21 -1.473 -1.473 3.414
170 HG22 ILE 21 HG22 ILE 21 0.177 -0.891 3.196
171 HG23 ILE 21 HG23 ILE 21 -0.333 -2.397 2.434
172 HD11 ILE 21 HD11 ILE 21 -4.217 0.524 2.040
173 HD12 ILE 21 HD12 ILE 21 -3.424 -0.378 3.331
174 HD13 ILE 21 HD13 ILE 21 -3.555 -1.079 1.717
175 H GLN 22 H GLN 22 0.336 -1.603 -1.162
176 HA GLN 22 HA GLN 22 2.207 -3.516 -0.119
177 HB2 GLN 22 HB2 GLN 22 0.553 -3.674 -2.081
178 HB3 GLN 22 HB3 GLN 22 1.758 -2.804 -3.031
179 HG2 GLN 22 HG2 GLN 22 2.785 -4.769 -3.425
180 HG3 GLN 22 HG3 GLN 22 3.167 -4.864 -1.706
181 HE21 GLN 22 HE21 GLN 22 1.462 -6.432 -4.210
182 HE22 GLN 22 HE22 GLN 22 0.484 -7.428 -3.245
183 H GLY 23 H GLY 23 2.654 -0.691 -2.282
184 HA2 GLY 23 HA2 GLY 23 5.502 -1.017 -2.579
185 HA3 GLY 23 HA3 GLY 23 4.604 0.469 -2.897
186 H LEU 24 H LEU 24 3.474 0.786 -0.276
187 HA LEU 24 HA LEU 24 5.509 2.253 1.073
188 HB2 LEU 24 HB2 LEU 24 2.784 1.164 1.715
189 HB3 LEU 24 HB3 LEU 24 3.740 1.866 3.020
190 HG LEU 24 HG LEU 24 3.273 3.308 0.401
191 HD11 LEU 24 HD11 LEU 24 1.693 3.542 2.983
192 HD12 LEU 24 HD12 LEU 24 1.095 2.835 1.482
193 HD13 LEU 24 HD13 LEU 24 1.487 4.553 1.553
194 HD21 LEU 24 HD21 LEU 24 4.172 4.148 3.176
195 HD22 LEU 24 HD22 LEU 24 3.803 5.282 1.876
196 HD23 LEU 24 HD23 LEU 24 5.142 4.149 1.703
197 H LEU 25 H LEU 25 4.272 -1.055 1.640
198 HA LEU 25 HA LEU 25 5.884 -1.619 3.962
199 HB2 LEU 25 HB2 LEU 25 4.093 -2.986 2.077
200 HB3 LEU 25 HB3 LEU 25 5.383 -4.032 2.670
201 HG LEU 25 HG LEU 25 4.749 -3.037 5.014
202 HD11 LEU 25 HD11 LEU 25 3.187 -1.349 3.978
203 HD12 LEU 25 HD12 LEU 25 2.442 -2.347 5.225
204 HD13 LEU 25 HD13 LEU 25 2.134 -2.687 3.522
205 HD21 LEU 25 HD21 LEU 25 4.452 -5.401 4.326
206 HD22 LEU 25 HD22 LEU 25 2.916 -4.980 3.568
207 HD23 LEU 25 HD23 LEU 25 3.104 -4.846 5.318
208 H GLN 26 H GLN 26 6.407 -2.112 0.465
209 HA GLN 26 HA GLN 26 8.843 -3.604 0.632
210 HB2 GLN 26 HB2 GLN 26 7.148 -2.505 -1.323
211 HB3 GLN 26 HB3 GLN 26 8.714 -1.745 -1.608
212 HG2 GLN 26 HG2 GLN 26 9.166 -4.515 -1.054
213 HG3 GLN 26 HG3 GLN 26 7.899 -4.402 -2.276
214 HE21 GLN 26 HE21 GLN 26 8.459 -2.738 -4.122
215 HE22 GLN 26 HE22 GLN 26 10.070 -2.734 -4.657
216 H GLN 27 H GLN 27 8.178 -0.126 0.828
217 HA GLN 27 HA GLN 27 11.028 0.607 0.770
218 HB2 GLN 27 HB2 GLN 27 8.819 1.879 0.002
219 HB3 GLN 27 HB3 GLN 27 8.817 2.417 1.682
220 HG2 GLN 27 HG2 GLN 27 10.123 4.080 0.734
221 HG3 GLN 27 HG3 GLN 27 11.377 2.917 1.167
222 HE21 GLN 27 HE21 GLN 27 12.436 1.747 -0.567
223 HE22 GLN 27 HE22 GLN 27 12.187 2.138 -2.199
224 H ALA 28 H ALA 28 8.436 0.270 3.161
225 HA ALA 28 HA ALA 28 9.879 1.310 5.425
226 HB1 ALA 28 HB1 ALA 28 8.050 0.162 6.674
227 HB2 ALA 28 HB2 ALA 28 7.578 -0.650 5.182
228 HB3 ALA 28 HB3 ALA 28 7.438 1.102 5.313
229 H SER 29 H SER 29 9.666 -1.905 3.967
230 HA SER 29 HA SER 29 10.785 -3.457 6.082
231 HB2 SER 29 HB2 SER 29 11.216 -5.072 4.301
232 HB3 SER 29 HB3 SER 29 9.679 -4.275 3.982
233 HG SER 29 HG SER 29 10.522 -3.695 2.154
234 H LYS 30 H LYS 30 12.327 -1.443 3.594
235 HA LYS 30 HA LYS 30 15.042 -2.312 4.086
236 HB2 LYS 30 HB2 LYS 30 13.587 -0.169 2.634
237 HB3 LYS 30 HB3 LYS 30 15.249 0.219 3.084
238 HG2 LYS 30 HG2 LYS 30 15.926 -2.016 2.083
239 HG3 LYS 30 HG3 LYS 30 14.291 -2.128 1.430
240 HD2 LYS 30 HD2 LYS 30 14.640 0.074 0.297
241 HD3 LYS 30 HD3 LYS 30 16.311 0.061 0.862
242 HE2 LYS 30 HE2 LYS 30 16.922 -1.282 -0.856
243 HE3 LYS 30 HE3 LYS 30 15.678 -2.468 -0.414
244 HZ1 LYS 30 HZ1 LYS 30 15.213 -1.544 -2.595
245 HZ2 LYS 30 HZ2 LYS 30 15.232 0.034 -1.964
246 HZ3 LYS 30 HZ3 LYS 30 14.018 -1.058 -1.494
247 H GLN 31 H GLN 31 12.981 0.237 5.474
248 HA GLN 31 HA GLN 31 15.018 1.604 6.973
249 HB2 GLN 31 HB2 GLN 31 12.041 1.328 6.972
250 HB3 GLN 31 HB3 GLN 31 12.784 2.024 8.410
251 HG2 GLN 31 HG2 GLN 31 13.433 3.927 7.323
252 HG3 GLN 31 HG3 GLN 31 13.788 3.069 5.823
253 HE21 GLN 31 HE21 GLN 31 10.746 3.402 7.764
254 HE22 GLN 31 HE22 GLN 31 9.810 3.942 6.456
255 H ALA 32 H ALA 32 13.186 -1.355 7.575
256 HA ALA 32 HA ALA 32 14.117 -1.520 10.384
257 HB1 ALA 32 HB1 ALA 32 12.704 -3.693 10.149
258 HB2 ALA 32 HB2 ALA 32 12.224 -3.028 8.589
259 HB3 ALA 32 HB3 ALA 32 11.867 -2.144 10.071
260 H GLN 33 H GLN 33 14.471 -3.404 7.333
261 HA GLN 33 HA GLN 33 16.631 -5.005 8.655
262 HB2 GLN 33 HB2 GLN 33 14.435 -5.516 6.857
263 HB3 GLN 33 HB3 GLN 33 15.944 -6.025 6.101
264 HG2 GLN 33 HG2 GLN 33 16.479 -7.167 8.351
265 HG3 GLN 33 HG3 GLN 33 14.774 -6.932 8.734
266 HE21 GLN 33 HE21 GLN 33 13.283 -7.665 6.710
267 HE22 GLN 33 HE22 GLN 33 13.704 -9.168 6.045
268 H ASP 34 H ASP 34 16.735 -2.198 7.113
269 HA ASP 34 HA ASP 34 19.316 -2.805 5.795
270 HB2 ASP 34 HB2 ASP 34 17.004 -2.927 4.327
271 HB3 ASP 34 HB3 ASP 34 17.452 -1.236 4.108
272 H ILE 35 H ILE 35 18.855 -1.284 8.126
273 HA ILE 35 HA ILE 35 18.487 1.527 7.659
274 HB ILE 35 HB ILE 35 18.671 -0.169 9.803
275 HG12 ILE 35 HG12 ILE 35 17.471 1.985 9.718
276 HG13 ILE 35 HG13 ILE 35 18.425 1.848 11.192
277 HG21 ILE 35 HG21 ILE 35 21.166 1.556 9.866
278 HG22 ILE 35 HG22 ILE 35 21.141 -0.199 9.697
279 HG23 ILE 35 HG23 ILE 35 20.569 0.552 11.186
280 HD11 ILE 35 HD11 ILE 35 18.870 4.039 10.398
281 HD12 ILE 35 HD12 ILE 35 19.020 3.490 8.728
282 HD13 ILE 35 HD13 ILE 35 20.276 3.097 9.902
283 H GLN 36 H GLN 36 21.218 -0.562 7.147
284 HA GLN 36 HA GLN 36 22.994 1.814 6.710
285 HB2 GLN 36 HB2 GLN 36 23.400 -0.227 8.393
286 HB3 GLN 36 HB3 GLN 36 24.006 -0.999 6.927
287 HG2 GLN 36 HG2 GLN 36 25.696 0.629 6.629
288 HG3 GLN 36 HG3 GLN 36 24.913 1.768 7.724
289 HE21 GLN 36 HE21 GLN 36 27.026 -1.046 7.572
290 HE22 GLN 36 HE22 GLN 36 27.382 -1.098 9.230
291 HA PRO 37 HA PRO 37 22.051 0.167 2.527
292 HB2 PRO 37 HB2 PRO 37 22.288 2.583 1.259
293 HB3 PRO 37 HB3 PRO 37 20.791 2.043 2.047
294 HG2 PRO 37 HG2 PRO 37 22.881 3.921 3.035
295 HG3 PRO 37 HG3 PRO 37 21.120 4.007 3.195
296 HD2 PRO 37 HD2 PRO 37 22.758 3.185 5.204
297 HD3 PRO 37 HD3 PRO 37 21.084 2.618 5.018
298 H ALA 38 H ALA 38 23.928 -0.953 2.036
299 HA ALA 38 HA ALA 38 26.571 0.302 2.030
300 HB1 ALA 38 HB1 ALA 38 27.208 -1.984 1.183
301 HB2 ALA 38 HB2 ALA 38 25.491 -2.384 1.125
302 HB3 ALA 38 HB3 ALA 38 26.260 -2.023 2.671
303 H MET 39 H MET 39 24.011 0.187 -0.251
304 HA MET 39 HA MET 39 25.751 0.223 -2.640
305 HB2 MET 39 HB2 MET 39 22.779 0.377 -2.082
306 HB3 MET 39 HB3 MET 39 23.431 0.577 -3.708
307 HG2 MET 39 HG2 MET 39 23.840 -1.639 -3.931
308 HG3 MET 39 HG3 MET 39 24.539 -1.756 -2.316
309 HE1 MET 39 HE1 MET 39 23.696 -2.417 -0.448
310 HE2 MET 39 HE2 MET 39 22.094 -3.038 -0.056
311 HE3 MET 39 HE3 MET 39 22.380 -1.301 -0.055
312 H GLN 40 H GLN 40 23.348 2.454 -1.157
313 HA GLN 40 HA GLN 40 25.040 4.765 -1.950
314 HB2 GLN 40 HB2 GLN 40 23.455 4.129 -3.820
315 HB3 GLN 40 HB3 GLN 40 22.119 4.493 -2.728
316 HG2 GLN 40 HG2 GLN 40 24.061 6.653 -2.739
317 HG3 GLN 40 HG3 GLN 40 23.485 6.317 -4.371
318 HE21 GLN 40 HE21 GLN 40 22.458 7.356 -1.133
319 HE22 GLN 40 HE22 GLN 40 20.915 7.881 -1.605
Start of MODEL 21
1 HA ALA 1 HA ALA 1 -30.847 4.505 -1.215
2 HB1 ALA 1 HB1 ALA 1 -32.145 1.776 -1.291
3 HB2 ALA 1 HB2 ALA 1 -31.952 2.856 0.089
4 HB3 ALA 1 HB3 ALA 1 -30.553 2.010 -0.571
5 H SER 2 H SER 2 -28.739 3.111 -1.576
6 HA SER 2 HA SER 2 -28.465 2.441 -4.490
7 HB2 SER 2 HB2 SER 2 -27.382 4.607 -3.029
8 HB3 SER 2 HB3 SER 2 -26.047 3.488 -3.285
9 HG SER 2 HG SER 2 -27.204 5.142 -5.029
10 H ARG 3 H ARG 3 -28.034 0.265 -4.552
11 HA ARG 3 HA ARG 3 -26.373 -0.937 -2.366
12 HB2 ARG 3 HB2 ARG 3 -28.502 -1.923 -4.260
13 HB3 ARG 3 HB3 ARG 3 -27.418 -3.067 -3.467
14 HG2 ARG 3 HG2 ARG 3 -28.111 -2.330 -1.281
15 HG3 ARG 3 HG3 ARG 3 -29.013 -0.976 -1.964
16 HD2 ARG 3 HD2 ARG 3 -30.342 -2.826 -3.259
17 HD3 ARG 3 HD3 ARG 3 -29.701 -3.910 -2.007
18 HE ARG 3 HE ARG 3 -31.359 -1.480 -1.443
19 HH11 ARG 3 HH11 ARG 3 -32.563 -4.174 -1.049
20 HH12 ARG 3 HH12 ARG 3 -32.294 -4.464 0.637
21 HH21 ARG 3 HH21 ARG 3 -29.882 -1.980 0.947
22 HH22 ARG 3 HH22 ARG 3 -30.772 -3.216 1.773
23 H ALA 4 H ALA 4 -26.866 -1.205 -5.920
24 HA ALA 4 HA ALA 4 -24.534 -2.722 -6.512
25 HB1 ALA 4 HB1 ALA 4 -24.867 -1.463 -8.784
26 HB2 ALA 4 HB2 ALA 4 -26.273 -0.753 -7.992
27 HB3 ALA 4 HB3 ALA 4 -26.167 -2.501 -8.199
28 H ALA 5 H ALA 5 -24.998 0.833 -6.483
29 HA ALA 5 HA ALA 5 -22.334 1.561 -7.235
30 HB1 ALA 5 HB1 ALA 5 -24.098 3.169 -7.327
31 HB2 ALA 5 HB2 ALA 5 -23.047 3.719 -6.021
32 HB3 ALA 5 HB3 ALA 5 -24.550 2.878 -5.646
33 H LEU 6 H LEU 6 -23.781 0.803 -4.073
34 HA LEU 6 HA LEU 6 -21.688 1.676 -2.357
35 HB2 LEU 6 HB2 LEU 6 -24.033 0.849 -1.807
36 HB3 LEU 6 HB3 LEU 6 -23.427 -0.790 -2.040
37 HG LEU 6 HG LEU 6 -21.740 0.863 -0.279
38 HD11 LEU 6 HD11 LEU 6 -23.943 1.738 0.376
39 HD12 LEU 6 HD12 LEU 6 -23.294 0.697 1.643
40 HD13 LEU 6 HD13 LEU 6 -24.551 0.093 0.565
41 HD21 LEU 6 HD21 LEU 6 -22.793 -1.918 -0.500
42 HD22 LEU 6 HD22 LEU 6 -22.369 -1.354 1.116
43 HD23 LEU 6 HD23 LEU 6 -21.154 -1.360 -0.162
44 H ILE 7 H ILE 7 -22.140 -1.470 -4.019
45 HA ILE 7 HA ILE 7 -19.714 -2.656 -2.934
46 HB ILE 7 HB ILE 7 -21.467 -3.317 -5.328
47 HG12 ILE 7 HG12 ILE 7 -21.521 -5.044 -2.944
48 HG13 ILE 7 HG13 ILE 7 -22.087 -3.403 -2.632
49 HG21 ILE 7 HG21 ILE 7 -19.133 -4.719 -4.051
50 HG22 ILE 7 HG22 ILE 7 -19.506 -4.516 -5.762
51 HG23 ILE 7 HG23 ILE 7 -20.423 -5.668 -4.791
52 HD11 ILE 7 HD11 ILE 7 -24.011 -4.643 -3.325
53 HD12 ILE 7 HD12 ILE 7 -23.141 -5.364 -4.679
54 HD13 ILE 7 HD13 ILE 7 -23.549 -3.649 -4.707
55 H GLU 8 H GLU 8 -20.532 -0.846 -5.881
56 HA GLU 8 HA GLU 8 -18.212 -1.321 -7.444
57 HB2 GLU 8 HB2 GLU 8 -20.421 -0.059 -7.926
58 HB3 GLU 8 HB3 GLU 8 -19.628 1.340 -7.200
59 HG2 GLU 8 HG2 GLU 8 -17.670 0.708 -8.858
60 HG3 GLU 8 HG3 GLU 8 -18.960 -0.109 -9.742
61 H GLU 9 H GLU 9 -18.796 1.264 -5.023
62 HA GLU 9 HA GLU 9 -16.149 2.411 -5.234
63 HB2 GLU 9 HB2 GLU 9 -18.548 2.602 -3.458
64 HB3 GLU 9 HB3 GLU 9 -17.027 3.252 -2.842
65 HG2 GLU 9 HG2 GLU 9 -16.823 4.785 -4.644
66 HG3 GLU 9 HG3 GLU 9 -18.047 3.950 -5.598
67 H GLY 10 H GLY 10 -17.625 0.035 -3.004
68 HA2 GLY 10 HA2 GLY 10 -15.447 -0.214 -1.193
69 HA3 GLY 10 HA3 GLY 10 -16.628 -1.481 -1.511
70 H GLN 11 H GLN 11 -16.111 -1.926 -4.258
71 HA GLN 11 HA GLN 11 -13.876 -3.721 -4.149
72 HB2 GLN 11 HB2 GLN 11 -16.013 -3.426 -5.734
73 HB3 GLN 11 HB3 GLN 11 -14.846 -2.565 -6.738
74 HG2 GLN 11 HG2 GLN 11 -14.028 -5.210 -5.606
75 HG3 GLN 11 HG3 GLN 11 -15.171 -5.205 -6.949
76 HE21 GLN 11 HE21 GLN 11 -11.950 -5.516 -6.436
77 HE22 GLN 11 HE22 GLN 11 -11.346 -4.782 -7.842
78 H ARG 12 H ARG 12 -14.224 -0.456 -5.581
79 HA ARG 12 HA ARG 12 -11.557 -0.236 -6.624
80 HB2 ARG 12 HB2 ARG 12 -13.700 1.705 -5.727
81 HB3 ARG 12 HB3 ARG 12 -12.161 2.273 -6.372
82 HG2 ARG 12 HG2 ARG 12 -13.799 0.234 -7.872
83 HG3 ARG 12 HG3 ARG 12 -14.139 1.957 -8.029
84 HD2 ARG 12 HD2 ARG 12 -11.296 1.570 -8.262
85 HD3 ARG 12 HD3 ARG 12 -12.123 0.472 -9.385
86 HE ARG 12 HE ARG 12 -12.476 3.437 -9.325
87 HH11 ARG 12 HH11 ARG 12 -14.953 2.059 -10.224
88 HH12 ARG 12 HH12 ARG 12 -14.712 1.923 -11.934
89 HH21 ARG 12 HH21 ARG 12 -11.290 2.514 -11.759
90 HH22 ARG 12 HH22 ARG 12 -12.628 2.181 -12.807
91 H ILE 13 H ILE 13 -12.997 0.713 -3.491
92 HA ILE 13 HA ILE 13 -10.601 1.849 -2.359
93 HB ILE 13 HB ILE 13 -13.121 0.626 -1.181
94 HG12 ILE 13 HG12 ILE 13 -12.351 3.540 -1.205
95 HG13 ILE 13 HG13 ILE 13 -13.086 2.809 -2.631
96 HG21 ILE 13 HG21 ILE 13 -11.650 0.510 0.639
97 HG22 ILE 13 HG22 ILE 13 -12.344 2.120 0.832
98 HG23 ILE 13 HG23 ILE 13 -10.741 1.931 0.121
99 HD11 ILE 13 HD11 ILE 13 -15.000 3.481 -1.527
100 HD12 ILE 13 HD12 ILE 13 -14.269 3.302 0.068
101 HD13 ILE 13 HD13 ILE 13 -14.807 1.877 -0.820
102 H ALA 14 H ALA 14 -12.033 -1.435 -2.268
103 HA ALA 14 HA ALA 14 -10.270 -2.690 -0.444
104 HB1 ALA 14 HB1 ALA 14 -10.874 -4.744 -1.743
105 HB2 ALA 14 HB2 ALA 14 -11.549 -3.712 -3.003
106 HB3 ALA 14 HB3 ALA 14 -12.273 -3.730 -1.394
107 H GLU 15 H GLU 15 -9.857 -2.131 -3.955
108 HA GLU 15 HA GLU 15 -7.312 -3.471 -4.205
109 HB2 GLU 15 HB2 GLU 15 -8.676 -1.245 -5.761
110 HB3 GLU 15 HB3 GLU 15 -7.225 -2.081 -6.314
111 HG2 GLU 15 HG2 GLU 15 -8.385 -4.191 -6.414
112 HG3 GLU 15 HG3 GLU 15 -9.802 -3.511 -5.614
113 H MET 16 H MET 16 -8.234 -0.063 -3.645
114 HA MET 16 HA MET 16 -5.637 1.105 -3.643
115 HB2 MET 16 HB2 MET 16 -8.054 2.097 -3.558
116 HB3 MET 16 HB3 MET 16 -7.885 1.940 -1.808
117 HG2 MET 16 HG2 MET 16 -7.026 4.065 -2.066
118 HG3 MET 16 HG3 MET 16 -5.546 3.135 -2.304
119 HE1 MET 16 HE1 MET 16 -5.212 5.745 -3.195
120 HE2 MET 16 HE2 MET 16 -4.812 5.746 -4.910
121 HE3 MET 16 HE3 MET 16 -4.099 4.535 -3.847
122 H LEU 17 H LEU 17 -7.482 -0.470 -1.025
123 HA LEU 17 HA LEU 17 -5.677 0.124 1.127
124 HB2 LEU 17 HB2 LEU 17 -8.046 -1.455 0.581
125 HB3 LEU 17 HB3 LEU 17 -6.922 -2.376 1.580
126 HG LEU 17 HG LEU 17 -6.738 -0.086 2.908
127 HD11 LEU 17 HD11 LEU 17 -9.560 0.052 1.813
128 HD12 LEU 17 HD12 LEU 17 -8.239 1.053 1.209
129 HD13 LEU 17 HD13 LEU 17 -8.768 1.208 2.885
130 HD21 LEU 17 HD21 LEU 17 -9.032 -2.064 3.066
131 HD22 LEU 17 HD22 LEU 17 -8.684 -0.875 4.321
132 HD23 LEU 17 HD23 LEU 17 -7.504 -2.130 3.946
133 H LYS 18 H LYS 18 -5.894 -2.641 -1.098
134 HA LYS 18 HA LYS 18 -3.821 -4.256 0.012
135 HB2 LYS 18 HB2 LYS 18 -5.103 -3.888 -2.687
136 HB3 LYS 18 HB3 LYS 18 -3.738 -4.990 -2.515
137 HG2 LYS 18 HG2 LYS 18 -4.979 -6.113 -0.630
138 HG3 LYS 18 HG3 LYS 18 -6.374 -5.108 -1.024
139 HD2 LYS 18 HD2 LYS 18 -6.784 -7.088 -2.233
140 HD3 LYS 18 HD3 LYS 18 -6.073 -6.017 -3.441
141 HE2 LYS 18 HE2 LYS 18 -4.789 -7.941 -3.775
142 HE3 LYS 18 HE3 LYS 18 -3.797 -7.114 -2.558
143 HZ1 LYS 18 HZ1 LYS 18 -4.286 -9.415 -1.912
144 HZ2 LYS 18 HZ2 LYS 18 -5.952 -9.080 -1.965
145 HZ3 LYS 18 HZ3 LYS 18 -4.962 -8.305 -0.820
146 H SER 19 H SER 19 -3.691 -1.717 -2.511
147 HA SER 19 HA SER 19 -0.872 -1.934 -3.055
148 HB2 SER 19 HB2 SER 19 -2.801 -0.786 -4.349
149 HB3 SER 19 HB3 SER 19 -2.552 0.573 -3.256
150 HG SER 19 HG SER 19 -0.594 0.912 -4.105
151 H LYS 20 H LYS 20 -2.736 -0.020 -0.694
152 HA LYS 20 HA LYS 20 -0.631 1.695 0.207
153 HB2 LYS 20 HB2 LYS 20 -3.229 0.634 1.272
154 HB3 LYS 20 HB3 LYS 20 -2.171 1.522 2.369
155 HG2 LYS 20 HG2 LYS 20 -2.223 3.477 0.991
156 HG3 LYS 20 HG3 LYS 20 -2.969 2.599 -0.345
157 HD2 LYS 20 HD2 LYS 20 -5.062 2.605 0.634
158 HD3 LYS 20 HD3 LYS 20 -4.412 2.623 2.273
159 HE2 LYS 20 HE2 LYS 20 -4.948 4.842 2.267
160 HE3 LYS 20 HE3 LYS 20 -3.526 5.047 1.228
161 HZ1 LYS 20 HZ1 LYS 20 -5.520 5.924 0.158
162 HZ2 LYS 20 HZ2 LYS 20 -6.277 4.409 0.286
163 HZ3 LYS 20 HZ3 LYS 20 -4.909 4.599 -0.705
164 H ILE 21 H ILE 21 -1.735 -1.476 1.475
165 HA ILE 21 HA ILE 21 0.178 -1.671 3.594
166 HB ILE 21 HB ILE 21 -1.696 -3.422 2.093
167 HG12 ILE 21 HG12 ILE 21 -2.070 -4.114 4.590
168 HG13 ILE 21 HG13 ILE 21 -1.063 -2.713 4.950
169 HG21 ILE 21 HG21 ILE 21 0.619 -4.545 3.698
170 HG22 ILE 21 HG22 ILE 21 0.253 -4.867 2.003
171 HG23 ILE 21 HG23 ILE 21 -0.822 -5.464 3.267
172 HD11 ILE 21 HD11 ILE 21 -3.511 -2.185 4.920
173 HD12 ILE 21 HD12 ILE 21 -3.543 -2.621 3.212
174 HD13 ILE 21 HD13 ILE 21 -2.583 -1.244 3.753
175 H GLN 22 H GLN 22 0.351 -2.566 0.174
176 HA GLN 22 HA GLN 22 2.858 -3.996 0.305
177 HB2 GLN 22 HB2 GLN 22 0.979 -3.839 -1.521
178 HB3 GLN 22 HB3 GLN 22 1.883 -2.432 -2.081
179 HG2 GLN 22 HG2 GLN 22 3.855 -3.738 -2.466
180 HG3 GLN 22 HG3 GLN 22 3.178 -5.129 -1.619
181 HE21 GLN 22 HE21 GLN 22 2.203 -6.677 -2.950
182 HE22 GLN 22 HE22 GLN 22 1.648 -6.387 -4.527
183 H GLY 23 H GLY 23 2.024 -0.590 -0.413
184 HA2 GLY 23 HA2 GLY 23 4.669 0.319 -0.991
185 HA3 GLY 23 HA3 GLY 23 3.355 1.346 -0.416
186 H LEU 24 H LEU 24 2.889 0.012 2.076
187 HA LEU 24 HA LEU 24 4.787 1.294 3.793
188 HB2 LEU 24 HB2 LEU 24 2.699 -0.871 4.102
189 HB3 LEU 24 HB3 LEU 24 3.659 -0.335 5.479
190 HG LEU 24 HG LEU 24 2.221 1.660 3.734
191 HD11 LEU 24 HD11 LEU 24 0.280 1.528 5.155
192 HD12 LEU 24 HD12 LEU 24 1.070 0.364 6.218
193 HD13 LEU 24 HD13 LEU 24 0.617 -0.105 4.581
194 HD21 LEU 24 HD21 LEU 24 2.341 3.019 5.772
195 HD22 LEU 24 HD22 LEU 24 3.949 2.424 5.360
196 HD23 LEU 24 HD23 LEU 24 3.033 1.661 6.660
197 H LEU 25 H LEU 25 4.507 -2.086 2.673
198 HA LEU 25 HA LEU 25 6.625 -3.213 4.233
199 HB2 LEU 25 HB2 LEU 25 4.778 -4.281 2.754
200 HB3 LEU 25 HB3 LEU 25 5.889 -4.015 1.411
201 HG LEU 25 HG LEU 25 6.971 -5.332 3.867
202 HD11 LEU 25 HD11 LEU 25 6.122 -7.487 3.281
203 HD12 LEU 25 HD12 LEU 25 5.453 -6.889 1.764
204 HD13 LEU 25 HD13 LEU 25 4.726 -6.410 3.298
205 HD21 LEU 25 HD21 LEU 25 8.667 -5.276 2.338
206 HD22 LEU 25 HD22 LEU 25 7.563 -5.097 0.974
207 HD23 LEU 25 HD23 LEU 25 7.858 -6.692 1.667
208 H GLN 26 H GLN 26 6.615 -1.630 1.035
209 HA GLN 26 HA GLN 26 9.433 -2.066 0.502
210 HB2 GLN 26 HB2 GLN 26 7.115 -0.614 -0.646
211 HB3 GLN 26 HB3 GLN 26 8.695 0.064 -1.041
212 HG2 GLN 26 HG2 GLN 26 8.453 -2.892 -1.252
213 HG3 GLN 26 HG3 GLN 26 7.568 -1.952 -2.453
214 HE21 GLN 26 HE21 GLN 26 10.835 -1.674 -0.895
215 HE22 GLN 26 HE22 GLN 26 11.658 -1.424 -2.357
216 H GLN 27 H GLN 27 7.585 0.453 2.171
217 HA GLN 27 HA GLN 27 9.568 2.511 2.234
218 HB2 GLN 27 HB2 GLN 27 7.190 1.682 3.863
219 HB3 GLN 27 HB3 GLN 27 8.236 2.955 4.489
220 HG2 GLN 27 HG2 GLN 27 7.997 3.934 2.048
221 HG3 GLN 27 HG3 GLN 27 6.535 2.946 2.017
222 HE21 GLN 27 HE21 GLN 27 4.766 4.238 2.558
223 HE22 GLN 27 HE22 GLN 27 4.762 5.417 3.777
224 H ALA 28 H ALA 28 8.847 -0.072 4.594
225 HA ALA 28 HA ALA 28 11.018 0.508 6.384
226 HB1 ALA 28 HB1 ALA 28 10.481 -1.721 7.273
227 HB2 ALA 28 HB2 ALA 28 9.598 -2.112 5.797
228 HB3 ALA 28 HB3 ALA 28 8.990 -0.862 6.884
229 H SER 29 H SER 29 10.724 -1.650 3.584
230 HA SER 29 HA SER 29 13.329 -2.870 3.800
231 HB2 SER 29 HB2 SER 29 11.247 -3.594 2.480
232 HB3 SER 29 HB3 SER 29 11.714 -2.390 1.282
233 HG SER 29 HG SER 29 12.576 -4.456 0.802
234 H LYS 30 H LYS 30 12.159 0.131 2.321
235 HA LYS 30 HA LYS 30 14.338 0.766 0.615
236 HB2 LYS 30 HB2 LYS 30 12.038 2.030 1.818
237 HB3 LYS 30 HB3 LYS 30 13.411 3.135 1.888
238 HG2 LYS 30 HG2 LYS 30 13.501 1.943 -0.674
239 HG3 LYS 30 HG3 LYS 30 11.814 2.377 -0.396
240 HD2 LYS 30 HD2 LYS 30 12.757 4.654 0.424
241 HD3 LYS 30 HD3 LYS 30 14.239 4.172 -0.404
242 HE2 LYS 30 HE2 LYS 30 11.680 3.880 -1.927
243 HE3 LYS 30 HE3 LYS 30 12.307 5.523 -1.687
244 HZ1 LYS 30 HZ1 LYS 30 13.208 4.268 -3.676
245 HZ2 LYS 30 HZ2 LYS 30 14.039 3.282 -2.570
246 HZ3 LYS 30 HZ3 LYS 30 14.362 4.951 -2.639
247 H GLN 31 H GLN 31 13.888 1.534 4.089
248 HA GLN 31 HA GLN 31 16.365 2.922 4.470
249 HB2 GLN 31 HB2 GLN 31 14.172 2.485 5.937
250 HB3 GLN 31 HB3 GLN 31 15.172 1.198 6.612
251 HG2 GLN 31 HG2 GLN 31 16.318 2.692 7.844
252 HG3 GLN 31 HG3 GLN 31 16.751 3.592 6.390
253 HE21 GLN 31 HE21 GLN 31 13.596 3.069 8.096
254 HE22 GLN 31 HE22 GLN 31 13.221 4.722 8.196
255 H ALA 32 H ALA 32 15.514 -0.531 4.669
256 HA ALA 32 HA ALA 32 18.099 -1.440 5.622
257 HB1 ALA 32 HB1 ALA 32 17.152 -3.609 5.234
258 HB2 ALA 32 HB2 ALA 32 16.047 -2.982 4.011
259 HB3 ALA 32 HB3 ALA 32 15.800 -2.582 5.712
260 H GLN 33 H GLN 33 16.662 -0.925 2.418
261 HA GLN 33 HA GLN 33 18.795 -2.216 0.922
262 HB2 GLN 33 HB2 GLN 33 16.473 -0.382 0.353
263 HB3 GLN 33 HB3 GLN 33 17.630 -0.765 -0.922
264 HG2 GLN 33 HG2 GLN 33 17.190 -3.132 -0.706
265 HG3 GLN 33 HG3 GLN 33 16.197 -2.865 0.728
266 HE21 GLN 33 HE21 GLN 33 13.983 -2.571 0.364
267 HE22 GLN 33 HE22 GLN 33 13.291 -2.229 -1.147
268 H ASP 34 H ASP 34 18.253 1.040 2.178
269 HA ASP 34 HA ASP 34 20.016 2.572 0.587
270 HB2 ASP 34 HB2 ASP 34 18.678 2.703 3.173
271 HB3 ASP 34 HB3 ASP 34 20.244 3.511 3.221
272 H ILE 35 H ILE 35 20.758 0.669 3.535
273 HA ILE 35 HA ILE 35 23.675 1.059 2.958
274 HB ILE 35 HB ILE 35 22.617 1.863 5.128
275 HG12 ILE 35 HG12 ILE 35 24.628 -0.289 5.734
276 HG13 ILE 35 HG13 ILE 35 25.086 1.065 4.702
277 HG21 ILE 35 HG21 ILE 35 21.335 -0.544 5.128
278 HG22 ILE 35 HG22 ILE 35 21.579 0.438 6.573
279 HG23 ILE 35 HG23 ILE 35 22.682 -0.890 6.213
280 HD11 ILE 35 HD11 ILE 35 24.052 2.543 6.588
281 HD12 ILE 35 HD12 ILE 35 25.650 1.842 6.845
282 HD13 ILE 35 HD13 ILE 35 24.233 1.102 7.589
283 H GLN 36 H GLN 36 22.010 -0.950 1.573
284 HA GLN 36 HA GLN 36 22.774 -3.536 2.807
285 HB2 GLN 36 HB2 GLN 36 20.615 -2.613 1.366
286 HB3 GLN 36 HB3 GLN 36 21.534 -3.474 0.131
287 HG2 GLN 36 HG2 GLN 36 21.602 -5.111 2.435
288 HG3 GLN 36 HG3 GLN 36 19.935 -4.559 2.276
289 HE21 GLN 36 HE21 GLN 36 18.906 -4.903 0.067
290 HE22 GLN 36 HE22 GLN 36 19.420 -6.226 -0.863
291 HA PRO 37 HA PRO 37 26.447 -3.496 0.253
292 HB2 PRO 37 HB2 PRO 37 27.438 -5.893 1.115
293 HB3 PRO 37 HB3 PRO 37 27.568 -4.399 2.063
294 HG2 PRO 37 HG2 PRO 37 25.694 -6.681 2.376
295 HG3 PRO 37 HG3 PRO 37 26.460 -5.669 3.608
296 HD2 PRO 37 HD2 PRO 37 23.856 -5.396 2.779
297 HD3 PRO 37 HD3 PRO 37 24.817 -4.096 3.513
298 H ALA 38 H ALA 38 26.711 -4.264 -1.826
299 HA ALA 38 HA ALA 38 24.848 -6.363 -2.805
300 HB1 ALA 38 HB1 ALA 38 25.471 -5.475 -4.991
301 HB2 ALA 38 HB2 ALA 38 26.808 -4.571 -4.280
302 HB3 ALA 38 HB3 ALA 38 25.143 -4.122 -3.910
303 H MET 39 H MET 39 28.362 -5.651 -2.821
304 HA MET 39 HA MET 39 28.925 -8.432 -3.724
305 HB2 MET 39 HB2 MET 39 31.143 -7.548 -4.187
306 HB3 MET 39 HB3 MET 39 29.951 -6.411 -4.812
307 HG2 MET 39 HG2 MET 39 31.085 -4.837 -3.638
308 HG3 MET 39 HG3 MET 39 30.320 -5.534 -2.211
309 HE1 MET 39 HE1 MET 39 33.298 -5.518 -4.603
310 HE2 MET 39 HE2 MET 39 34.639 -5.545 -3.461
311 HE3 MET 39 HE3 MET 39 33.458 -4.239 -3.392
312 H GLN 40 H GLN 40 28.943 -6.502 -0.831
313 HA GLN 40 HA GLN 40 30.718 -8.463 0.566
314 HB2 GLN 40 HB2 GLN 40 30.070 -5.581 0.767
315 HB3 GLN 40 HB3 GLN 40 30.242 -6.409 2.314
316 HG2 GLN 40 HG2 GLN 40 32.318 -7.139 0.365
317 HG3 GLN 40 HG3 GLN 40 32.336 -5.430 0.804
318 HE21 GLN 40 HE21 GLN 40 31.985 -8.626 2.476
319 HE22 GLN 40 HE22 GLN 40 32.939 -8.186 3.809
Start of MODEL 22
1 HA ALA 1 HA ALA 1 -24.834 0.989 1.850
2 HB1 ALA 1 HB1 ALA 1 -27.350 0.328 3.418
3 HB2 ALA 1 HB2 ALA 1 -25.701 0.139 4.013
4 HB3 ALA 1 HB3 ALA 1 -26.271 -0.847 2.666
5 H SER 2 H SER 2 -25.236 1.015 -0.322
6 HA SER 2 HA SER 2 -28.079 1.034 -1.266
7 HB2 SER 2 HB2 SER 2 -25.822 2.612 -2.528
8 HB3 SER 2 HB3 SER 2 -27.544 2.742 -2.873
9 HG SER 2 HG SER 2 -27.765 3.994 -1.195
10 H ARG 3 H ARG 3 -28.223 0.241 -3.569
11 HA ARG 3 HA ARG 3 -26.821 -2.212 -3.977
12 HB2 ARG 3 HB2 ARG 3 -29.057 -1.405 -4.911
13 HB3 ARG 3 HB3 ARG 3 -28.130 -0.476 -6.090
14 HG2 ARG 3 HG2 ARG 3 -27.102 -3.161 -5.999
15 HG3 ARG 3 HG3 ARG 3 -28.850 -3.222 -6.225
16 HD2 ARG 3 HD2 ARG 3 -27.543 -1.149 -7.862
17 HD3 ARG 3 HD3 ARG 3 -27.033 -2.801 -8.260
18 HE ARG 3 HE ARG 3 -29.235 -3.251 -9.003
19 HH11 ARG 3 HH11 ARG 3 -29.272 -0.125 -9.232
20 HH12 ARG 3 HH12 ARG 3 -30.838 0.198 -8.568
21 HH21 ARG 3 HH21 ARG 3 -31.201 -2.978 -7.200
22 HH22 ARG 3 HH22 ARG 3 -31.934 -1.424 -7.411
23 H ALA 4 H ALA 4 -26.354 0.995 -5.517
24 HA ALA 4 HA ALA 4 -24.054 0.126 -7.085
25 HB1 ALA 4 HB1 ALA 4 -25.424 1.915 -7.898
26 HB2 ALA 4 HB2 ALA 4 -23.903 2.665 -7.413
27 HB3 ALA 4 HB3 ALA 4 -25.319 2.784 -6.368
28 H ALA 5 H ALA 5 -24.519 1.834 -3.994
29 HA ALA 5 HA ALA 5 -21.846 2.683 -3.523
30 HB1 ALA 5 HB1 ALA 5 -23.734 3.436 -2.205
31 HB2 ALA 5 HB2 ALA 5 -22.618 2.606 -1.120
32 HB3 ALA 5 HB3 ALA 5 -24.077 1.789 -1.678
33 H LEU 6 H LEU 6 -23.428 -0.440 -2.783
34 HA LEU 6 HA LEU 6 -21.337 -1.650 -1.281
35 HB2 LEU 6 HB2 LEU 6 -23.786 -2.357 -1.833
36 HB3 LEU 6 HB3 LEU 6 -23.084 -3.111 -3.265
37 HG LEU 6 HG LEU 6 -21.720 -3.680 -0.684
38 HD11 LEU 6 HD11 LEU 6 -23.343 -5.289 0.053
39 HD12 LEU 6 HD12 LEU 6 -24.321 -5.058 -1.397
40 HD13 LEU 6 HD13 LEU 6 -24.211 -3.773 -0.193
41 HD21 LEU 6 HD21 LEU 6 -21.183 -4.607 -3.030
42 HD22 LEU 6 HD22 LEU 6 -22.646 -5.577 -2.851
43 HD23 LEU 6 HD23 LEU 6 -21.308 -5.782 -1.720
44 H ILE 7 H ILE 7 -21.923 -1.717 -4.823
45 HA ILE 7 HA ILE 7 -19.698 -3.371 -5.521
46 HB ILE 7 HB ILE 7 -21.280 -1.230 -6.971
47 HG12 ILE 7 HG12 ILE 7 -21.256 -4.255 -7.242
48 HG13 ILE 7 HG13 ILE 7 -22.413 -3.364 -6.254
49 HG21 ILE 7 HG21 ILE 7 -20.240 -2.649 -8.997
50 HG22 ILE 7 HG22 ILE 7 -18.913 -2.827 -7.849
51 HG23 ILE 7 HG23 ILE 7 -19.434 -1.219 -8.354
52 HD11 ILE 7 HD11 ILE 7 -23.670 -2.901 -8.062
53 HD12 ILE 7 HD12 ILE 7 -22.599 -3.921 -9.021
54 HD13 ILE 7 HD13 ILE 7 -22.284 -2.191 -8.889
55 H GLU 8 H GLU 8 -19.948 0.182 -5.156
56 HA GLU 8 HA GLU 8 -17.188 0.645 -6.008
57 HB2 GLU 8 HB2 GLU 8 -19.334 2.175 -6.021
58 HB3 GLU 8 HB3 GLU 8 -18.838 2.554 -4.370
59 HG2 GLU 8 HG2 GLU 8 -16.462 2.733 -5.790
60 HG3 GLU 8 HG3 GLU 8 -17.645 3.399 -6.914
61 H GLU 9 H GLU 9 -18.871 0.242 -2.904
62 HA GLU 9 HA GLU 9 -16.909 1.150 -1.089
63 HB2 GLU 9 HB2 GLU 9 -19.335 0.128 -0.856
64 HB3 GLU 9 HB3 GLU 9 -18.460 -1.382 -0.612
65 HG2 GLU 9 HG2 GLU 9 -17.670 -0.744 1.431
66 HG3 GLU 9 HG3 GLU 9 -17.436 0.931 0.928
67 H GLY 10 H GLY 10 -17.218 -2.105 -2.570
68 HA2 GLY 10 HA2 GLY 10 -14.865 -3.169 -1.264
69 HA3 GLY 10 HA3 GLY 10 -15.686 -3.894 -2.646
70 H GLN 11 H GLN 11 -15.471 -1.920 -4.567
71 HA GLN 11 HA GLN 11 -12.820 -2.251 -5.577
72 HB2 GLN 11 HB2 GLN 11 -15.000 -1.681 -6.783
73 HB3 GLN 11 HB3 GLN 11 -14.763 -0.021 -6.238
74 HG2 GLN 11 HG2 GLN 11 -12.282 -0.799 -7.309
75 HG3 GLN 11 HG3 GLN 11 -13.487 -1.419 -8.439
76 HE21 GLN 11 HE21 GLN 11 -11.968 1.492 -7.227
77 HE22 GLN 11 HE22 GLN 11 -12.838 2.582 -8.194
78 H ARG 12 H ARG 12 -14.245 0.282 -3.550
79 HA ARG 12 HA ARG 12 -12.098 2.200 -3.842
80 HB2 ARG 12 HB2 ARG 12 -14.400 1.704 -1.971
81 HB3 ARG 12 HB3 ARG 12 -13.214 2.947 -1.574
82 HG2 ARG 12 HG2 ARG 12 -14.026 3.106 -4.367
83 HG3 ARG 12 HG3 ARG 12 -15.409 3.240 -3.283
84 HD2 ARG 12 HD2 ARG 12 -14.823 5.370 -2.797
85 HD3 ARG 12 HD3 ARG 12 -13.251 4.806 -2.199
86 HE ARG 12 HE ARG 12 -13.814 5.480 -5.062
87 HH11 ARG 12 HH11 ARG 12 -12.126 7.330 -3.435
88 HH12 ARG 12 HH12 ARG 12 -10.522 6.798 -3.812
89 HH21 ARG 12 HH21 ARG 12 -11.558 3.750 -5.117
90 HH22 ARG 12 HH22 ARG 12 -10.197 4.762 -4.762
91 H ILE 13 H ILE 13 -12.704 -0.486 -1.584
92 HA ILE 13 HA ILE 13 -10.281 0.186 -0.015
93 HB ILE 13 HB ILE 13 -12.479 -1.893 0.191
94 HG12 ILE 13 HG12 ILE 13 -11.765 0.305 2.138
95 HG13 ILE 13 HG13 ILE 13 -12.822 0.612 0.761
96 HG21 ILE 13 HG21 ILE 13 -11.357 -2.151 2.559
97 HG22 ILE 13 HG22 ILE 13 -9.916 -1.567 1.729
98 HG23 ILE 13 HG23 ILE 13 -10.706 -3.047 1.187
99 HD11 ILE 13 HD11 ILE 13 -14.304 -1.238 1.518
100 HD12 ILE 13 HD12 ILE 13 -14.170 0.041 2.723
101 HD13 ILE 13 HD13 ILE 13 -13.270 -1.461 2.929
102 H ALA 14 H ALA 14 -11.510 -2.772 -1.666
103 HA ALA 14 HA ALA 14 -9.169 -4.322 -1.559
104 HB1 ALA 14 HB1 ALA 14 -11.369 -5.114 -2.289
105 HB2 ALA 14 HB2 ALA 14 -10.168 -5.471 -3.530
106 HB3 ALA 14 HB3 ALA 14 -11.270 -4.110 -3.737
107 H GLU 15 H GLU 15 -10.116 -2.139 -4.264
108 HA GLU 15 HA GLU 15 -7.747 -2.557 -5.822
109 HB2 GLU 15 HB2 GLU 15 -9.951 -1.563 -6.528
110 HB3 GLU 15 HB3 GLU 15 -9.514 -0.101 -5.647
111 HG2 GLU 15 HG2 GLU 15 -7.269 -0.520 -7.177
112 HG3 GLU 15 HG3 GLU 15 -8.553 -1.070 -8.254
113 H MET 16 H MET 16 -8.568 0.105 -3.545
114 HA MET 16 HA MET 16 -6.080 1.501 -3.761
115 HB2 MET 16 HB2 MET 16 -8.329 2.218 -2.760
116 HB3 MET 16 HB3 MET 16 -7.853 1.330 -1.313
117 HG2 MET 16 HG2 MET 16 -6.544 3.035 -0.646
118 HG3 MET 16 HG3 MET 16 -5.668 3.002 -2.178
119 HE1 MET 16 HE1 MET 16 -8.402 6.110 -0.616
120 HE2 MET 16 HE2 MET 16 -7.222 5.033 0.127
121 HE3 MET 16 HE3 MET 16 -8.832 4.432 -0.262
122 H LEU 17 H LEU 17 -7.128 -1.073 -1.500
123 HA LEU 17 HA LEU 17 -4.789 -1.070 0.150
124 HB2 LEU 17 HB2 LEU 17 -7.134 -2.764 -0.395
125 HB3 LEU 17 HB3 LEU 17 -5.723 -3.673 0.138
126 HG LEU 17 HG LEU 17 -7.089 -2.979 2.066
127 HD11 LEU 17 HD11 LEU 17 -4.368 -2.743 1.815
128 HD12 LEU 17 HD12 LEU 17 -5.247 -2.570 3.334
129 HD13 LEU 17 HD13 LEU 17 -4.806 -1.139 2.403
130 HD21 LEU 17 HD21 LEU 17 -7.440 -0.641 2.596
131 HD22 LEU 17 HD22 LEU 17 -7.997 -0.907 0.944
132 HD23 LEU 17 HD23 LEU 17 -6.439 -0.135 1.235
133 H LYS 18 H LYS 18 -5.471 -2.605 -2.957
134 HA LYS 18 HA LYS 18 -3.298 -4.452 -3.056
135 HB2 LYS 18 HB2 LYS 18 -5.302 -4.201 -4.610
136 HB3 LYS 18 HB3 LYS 18 -4.464 -2.836 -5.347
137 HG2 LYS 18 HG2 LYS 18 -3.703 -4.513 -6.735
138 HG3 LYS 18 HG3 LYS 18 -2.471 -4.618 -5.476
139 HD2 LYS 18 HD2 LYS 18 -4.761 -6.173 -4.686
140 HD3 LYS 18 HD3 LYS 18 -4.268 -6.652 -6.310
141 HE2 LYS 18 HE2 LYS 18 -1.868 -6.763 -5.395
142 HE3 LYS 18 HE3 LYS 18 -2.600 -6.670 -3.780
143 HZ1 LYS 18 HZ1 LYS 18 -4.040 -8.537 -4.382
144 HZ2 LYS 18 HZ2 LYS 18 -2.400 -8.972 -4.471
145 HZ3 LYS 18 HZ3 LYS 18 -3.275 -8.655 -5.892
146 H SER 19 H SER 19 -3.493 -1.070 -4.246
147 HA SER 19 HA SER 19 -0.671 -0.949 -4.957
148 HB2 SER 19 HB2 SER 19 -3.014 0.912 -4.757
149 HB3 SER 19 HB3 SER 19 -1.400 1.610 -4.873
150 HG SER 19 HG SER 19 -1.590 1.217 -6.927
151 H LYS 20 H LYS 20 -2.601 -0.083 -2.105
152 HA LYS 20 HA LYS 20 -0.673 1.476 -0.692
153 HB2 LYS 20 HB2 LYS 20 -3.167 1.053 -0.249
154 HB3 LYS 20 HB3 LYS 20 -2.670 -0.459 0.511
155 HG2 LYS 20 HG2 LYS 20 -1.889 0.594 2.361
156 HG3 LYS 20 HG3 LYS 20 -1.119 1.870 1.417
157 HD2 LYS 20 HD2 LYS 20 -3.640 2.609 0.999
158 HD3 LYS 20 HD3 LYS 20 -3.903 1.736 2.509
159 HE2 LYS 20 HE2 LYS 20 -2.067 3.103 3.557
160 HE3 LYS 20 HE3 LYS 20 -1.995 4.059 2.064
161 HZ1 LYS 20 HZ1 LYS 20 -4.404 4.458 2.297
162 HZ2 LYS 20 HZ2 LYS 20 -3.516 5.105 3.591
163 HZ3 LYS 20 HZ3 LYS 20 -4.382 3.657 3.793
164 H ILE 21 H ILE 21 -1.160 -2.050 -0.888
165 HA ILE 21 HA ILE 21 0.708 -2.799 1.155
166 HB ILE 21 HB ILE 21 -0.956 -3.997 -0.899
167 HG12 ILE 21 HG12 ILE 21 -0.690 -5.963 0.767
168 HG13 ILE 21 HG13 ILE 21 0.268 -4.837 1.728
169 HG21 ILE 21 HG21 ILE 21 1.809 -5.191 -0.530
170 HG22 ILE 21 HG22 ILE 21 1.075 -4.660 -2.044
171 HG23 ILE 21 HG23 ILE 21 0.438 -6.072 -1.202
172 HD11 ILE 21 HD11 ILE 21 -1.700 -3.215 1.531
173 HD12 ILE 21 HD12 ILE 21 -1.967 -4.636 2.542
174 HD13 ILE 21 HD13 ILE 21 -2.632 -4.578 0.910
175 H GLN 22 H GLN 22 1.103 -2.105 -2.293
176 HA GLN 22 HA GLN 22 3.880 -2.937 -2.463
177 HB2 GLN 22 HB2 GLN 22 2.033 -2.563 -4.281
178 HB3 GLN 22 HB3 GLN 22 2.540 -0.875 -4.213
179 HG2 GLN 22 HG2 GLN 22 4.143 -1.454 -5.703
180 HG3 GLN 22 HG3 GLN 22 4.950 -2.240 -4.346
181 HE21 GLN 22 HE21 GLN 22 5.513 -4.362 -4.856
182 HE22 GLN 22 HE22 GLN 22 4.607 -5.401 -5.845
183 H GLY 23 H GLY 23 2.247 0.211 -1.962
184 HA2 GLY 23 HA2 GLY 23 4.658 1.784 -1.930
185 HA3 GLY 23 HA3 GLY 23 3.103 2.287 -1.265
186 H LEU 24 H LEU 24 2.706 0.305 0.680
187 HA LEU 24 HA LEU 24 4.181 1.276 2.911
188 HB2 LEU 24 HB2 LEU 24 2.452 -1.089 2.276
189 HB3 LEU 24 HB3 LEU 24 3.335 -1.094 3.802
190 HG LEU 24 HG LEU 24 1.601 1.223 2.906
191 HD11 LEU 24 HD11 LEU 24 0.209 -0.790 3.160
192 HD12 LEU 24 HD12 LEU 24 -0.086 0.333 4.488
193 HD13 LEU 24 HD13 LEU 24 0.918 -1.093 4.746
194 HD21 LEU 24 HD21 LEU 24 3.204 1.883 4.572
195 HD22 LEU 24 HD22 LEU 24 2.931 0.413 5.506
196 HD23 LEU 24 HD23 LEU 24 1.678 1.650 5.422
197 H LEU 25 H LEU 25 4.718 -1.606 0.872
198 HA LEU 25 HA LEU 25 6.925 -2.689 2.367
199 HB2 LEU 25 HB2 LEU 25 5.392 -3.678 0.506
200 HB3 LEU 25 HB3 LEU 25 6.529 -2.931 -0.616
201 HG LEU 25 HG LEU 25 8.354 -4.130 0.821
202 HD11 LEU 25 HD11 LEU 25 5.872 -5.754 1.466
203 HD12 LEU 25 HD12 LEU 25 6.849 -4.850 2.624
204 HD13 LEU 25 HD13 LEU 25 7.528 -6.256 1.804
205 HD21 LEU 25 HD21 LEU 25 6.476 -5.720 -0.959
206 HD22 LEU 25 HD22 LEU 25 8.157 -6.124 -0.606
207 HD23 LEU 25 HD23 LEU 25 7.775 -4.674 -1.533
208 H GLN 26 H GLN 26 6.729 -0.287 -0.254
209 HA GLN 26 HA GLN 26 9.518 -0.123 -0.877
210 HB2 GLN 26 HB2 GLN 26 7.221 0.936 -1.841
211 HB3 GLN 26 HB3 GLN 26 7.828 2.330 -0.947
212 HG2 GLN 26 HG2 GLN 26 9.887 0.954 -2.543
213 HG3 GLN 26 HG3 GLN 26 8.589 1.660 -3.506
214 HE21 GLN 26 HE21 GLN 26 11.096 2.465 -1.081
215 HE22 GLN 26 HE22 GLN 26 11.120 4.127 -1.429
216 H GLN 27 H GLN 27 7.554 1.482 1.626
217 HA GLN 27 HA GLN 27 9.826 3.112 2.558
218 HB2 GLN 27 HB2 GLN 27 6.922 2.735 3.197
219 HB3 GLN 27 HB3 GLN 27 7.951 3.489 4.414
220 HG2 GLN 27 HG2 GLN 27 8.775 4.902 2.298
221 HG3 GLN 27 HG3 GLN 27 7.161 4.491 1.714
222 HE21 GLN 27 HE21 GLN 27 5.549 5.932 2.366
223 HE22 GLN 27 HE22 GLN 27 5.633 6.925 3.740
224 H ALA 28 H ALA 28 8.253 0.090 3.400
225 HA ALA 28 HA ALA 28 9.596 -0.139 6.007
226 HB1 ALA 28 HB1 ALA 28 7.969 -2.092 4.348
227 HB2 ALA 28 HB2 ALA 28 7.315 -0.986 5.557
228 HB3 ALA 28 HB3 ALA 28 8.391 -2.294 6.048
229 H SER 29 H SER 29 10.906 -0.331 3.016
230 HA SER 29 HA SER 29 12.327 -2.904 3.313
231 HB2 SER 29 HB2 SER 29 13.311 -2.175 1.123
232 HB3 SER 29 HB3 SER 29 11.552 -2.179 1.119
233 HG SER 29 HG SER 29 11.593 -0.104 0.796
234 H LYS 30 H LYS 30 13.390 0.513 2.879
235 HA LYS 30 HA LYS 30 16.102 0.017 3.721
236 HB2 LYS 30 HB2 LYS 30 14.318 2.362 3.204
237 HB3 LYS 30 HB3 LYS 30 15.823 2.656 4.076
238 HG2 LYS 30 HG2 LYS 30 17.026 1.400 2.236
239 HG3 LYS 30 HG3 LYS 30 15.510 1.403 1.336
240 HD2 LYS 30 HD2 LYS 30 16.476 4.013 2.425
241 HD3 LYS 30 HD3 LYS 30 17.320 3.347 1.027
242 HE2 LYS 30 HE2 LYS 30 14.309 3.423 1.009
243 HE3 LYS 30 HE3 LYS 30 15.223 4.897 0.634
244 HZ1 LYS 30 HZ1 LYS 30 15.648 2.241 -0.643
245 HZ2 LYS 30 HZ2 LYS 30 16.502 3.666 -0.999
246 HZ3 LYS 30 HZ3 LYS 30 14.846 3.551 -1.361
247 H GLN 31 H GLN 31 13.243 1.282 5.469
248 HA GLN 31 HA GLN 31 14.526 1.885 7.945
249 HB2 GLN 31 HB2 GLN 31 11.804 1.392 6.890
250 HB3 GLN 31 HB3 GLN 31 11.983 1.102 8.621
251 HG2 GLN 31 HG2 GLN 31 13.372 3.527 7.907
252 HG3 GLN 31 HG3 GLN 31 11.711 3.602 7.316
253 HE21 GLN 31 HE21 GLN 31 9.959 3.243 8.958
254 HE22 GLN 31 HE22 GLN 31 10.269 3.580 10.591
255 H ALA 32 H ALA 32 13.265 -1.175 6.649
256 HA ALA 32 HA ALA 32 13.606 -2.672 9.130
257 HB1 ALA 32 HB1 ALA 32 13.199 -3.416 6.217
258 HB2 ALA 32 HB2 ALA 32 11.966 -3.337 7.476
259 HB3 ALA 32 HB3 ALA 32 13.202 -4.595 7.528
260 H GLN 33 H GLN 33 15.591 -2.014 6.265
261 HA GLN 33 HA GLN 33 17.597 -4.040 6.771
262 HB2 GLN 33 HB2 GLN 33 16.964 -2.016 4.853
263 HB3 GLN 33 HB3 GLN 33 18.636 -1.773 5.354
264 HG2 GLN 33 HG2 GLN 33 17.665 -4.542 4.692
265 HG3 GLN 33 HG3 GLN 33 18.117 -3.438 3.395
266 HE21 GLN 33 HE21 GLN 33 19.380 -5.280 6.149
267 HE22 GLN 33 HE22 GLN 33 21.019 -5.044 5.776
268 H ASP 34 H ASP 34 16.991 -0.898 8.179
269 HA ASP 34 HA ASP 34 19.616 -0.109 8.949
270 HB2 ASP 34 HB2 ASP 34 16.803 0.391 9.756
271 HB3 ASP 34 HB3 ASP 34 18.011 0.759 10.986
272 H ILE 35 H ILE 35 17.255 -1.418 11.294
273 HA ILE 35 HA ILE 35 18.844 -3.653 12.147
274 HB ILE 35 HB ILE 35 20.398 -1.896 12.842
275 HG12 ILE 35 HG12 ILE 35 19.051 -2.725 15.401
276 HG13 ILE 35 HG13 ILE 35 19.779 -3.945 14.356
277 HG21 ILE 35 HG21 ILE 35 18.246 -0.798 14.658
278 HG22 ILE 35 HG22 ILE 35 18.531 -0.145 13.045
279 HG23 ILE 35 HG23 ILE 35 19.807 -0.082 14.259
280 HD11 ILE 35 HD11 ILE 35 21.229 -1.489 15.388
281 HD12 ILE 35 HD12 ILE 35 21.933 -2.813 14.460
282 HD13 ILE 35 HD13 ILE 35 21.357 -3.096 16.103
283 H GLN 36 H GLN 36 16.608 -1.119 13.297
284 HA GLN 36 HA GLN 36 14.727 -3.230 14.197
285 HB2 GLN 36 HB2 GLN 36 16.464 -1.588 15.896
286 HB3 GLN 36 HB3 GLN 36 14.763 -1.448 16.336
287 HG2 GLN 36 HG2 GLN 36 14.814 -3.477 17.302
288 HG3 GLN 36 HG3 GLN 36 15.348 -4.206 15.788
289 HE21 GLN 36 HE21 GLN 36 17.508 -4.933 15.694
290 HE22 GLN 36 HE22 GLN 36 18.669 -4.622 16.893
291 HA PRO 37 HA PRO 37 11.845 -0.206 12.749
292 HB2 PRO 37 HB2 PRO 37 9.584 -1.092 14.014
293 HB3 PRO 37 HB3 PRO 37 10.301 -1.926 12.621
294 HG2 PRO 37 HG2 PRO 37 10.475 -2.584 15.515
295 HG3 PRO 37 HG3 PRO 37 10.350 -3.661 14.116
296 HD2 PRO 37 HD2 PRO 37 12.683 -3.159 15.457
297 HD3 PRO 37 HD3 PRO 37 12.604 -3.658 13.754
298 H ALA 38 H ALA 38 10.169 1.391 13.721
299 HA ALA 38 HA ALA 38 11.285 2.493 16.257
300 HB1 ALA 38 HB1 ALA 38 11.258 3.975 14.359
301 HB2 ALA 38 HB2 ALA 38 9.984 4.521 15.449
302 HB3 ALA 38 HB3 ALA 38 9.573 3.588 14.010
303 H MET 39 H MET 39 9.130 0.226 15.939
304 HA MET 39 HA MET 39 6.865 1.533 17.383
305 HB2 MET 39 HB2 MET 39 7.297 -0.821 15.631
306 HB3 MET 39 HB3 MET 39 6.134 -1.059 16.933
307 HG2 MET 39 HG2 MET 39 4.749 -0.179 15.291
308 HG3 MET 39 HG3 MET 39 5.231 1.297 16.127
309 HE1 MET 39 HE1 MET 39 6.837 3.310 14.747
310 HE2 MET 39 HE2 MET 39 5.120 2.953 14.921
311 HE3 MET 39 HE3 MET 39 5.776 3.330 13.331
312 H GLN 40 H GLN 40 9.666 0.599 18.492
313 HA GLN 40 HA GLN 40 8.557 -0.616 20.959
314 HB2 GLN 40 HB2 GLN 40 9.083 -2.511 19.503
315 HB3 GLN 40 HB3 GLN 40 10.691 -1.859 19.190
316 HG2 GLN 40 HG2 GLN 40 10.407 -1.990 22.012
317 HG3 GLN 40 HG3 GLN 40 9.823 -3.528 21.372
318 HE21 GLN 40 HE21 GLN 40 12.645 -1.296 21.184
319 HE22 GLN 40 HE22 GLN 40 13.770 -2.515 20.819
Start of MODEL 23
1 HA ALA 1 HA ALA 1 -28.825 0.849 5.762
2 HB1 ALA 1 HB1 ALA 1 -30.537 -0.605 4.805
3 HB2 ALA 1 HB2 ALA 1 -31.300 0.769 4.003
4 HB3 ALA 1 HB3 ALA 1 -31.330 0.645 5.762
5 H SER 2 H SER 2 -26.983 0.592 4.544
6 HA SER 2 HA SER 2 -27.242 0.698 1.558
7 HB2 SER 2 HB2 SER 2 -25.025 1.857 3.281
8 HB3 SER 2 HB3 SER 2 -25.090 1.909 1.522
9 HG SER 2 HG SER 2 -26.602 3.411 1.614
10 H ARG 3 H ARG 3 -26.945 -1.474 1.070
11 HA ARG 3 HA ARG 3 -24.738 -2.954 2.453
12 HB2 ARG 3 HB2 ARG 3 -27.213 -3.705 2.392
13 HB3 ARG 3 HB3 ARG 3 -26.924 -4.088 0.695
14 HG2 ARG 3 HG2 ARG 3 -24.743 -5.175 2.147
15 HG3 ARG 3 HG3 ARG 3 -26.202 -5.613 3.033
16 HD2 ARG 3 HD2 ARG 3 -25.955 -7.365 1.442
17 HD3 ARG 3 HD3 ARG 3 -27.148 -6.290 0.689
18 HE ARG 3 HE ARG 3 -24.282 -5.788 0.087
19 HH11 ARG 3 HH11 ARG 3 -27.035 -4.957 -1.273
20 HH12 ARG 3 HH12 ARG 3 -26.850 -5.791 -2.779
21 HH21 ARG 3 HH21 ARG 3 -24.181 -7.728 -1.680
22 HH22 ARG 3 HH22 ARG 3 -25.229 -7.365 -3.009
23 H ALA 4 H ALA 4 -26.197 -2.658 -0.823
24 HA ALA 4 HA ALA 4 -24.066 -3.899 -2.259
25 HB1 ALA 4 HB1 ALA 4 -25.106 -2.463 -4.152
26 HB2 ALA 4 HB2 ALA 4 -26.224 -1.887 -2.916
27 HB3 ALA 4 HB3 ALA 4 -26.167 -3.602 -3.325
28 H ALA 5 H ALA 5 -24.683 -0.437 -1.575
29 HA ALA 5 HA ALA 5 -22.453 0.665 -2.959
30 HB1 ALA 5 HB1 ALA 5 -22.866 2.591 -1.461
31 HB2 ALA 5 HB2 ALA 5 -23.831 1.561 -0.405
32 HB3 ALA 5 HB3 ALA 5 -24.387 1.911 -2.041
33 H LEU 6 H LEU 6 -22.682 -0.767 0.286
34 HA LEU 6 HA LEU 6 -20.219 0.081 1.401
35 HB2 LEU 6 HB2 LEU 6 -22.185 -1.233 2.410
36 HB3 LEU 6 HB3 LEU 6 -21.449 -2.671 1.701
37 HG LEU 6 HG LEU 6 -19.271 -1.749 2.898
38 HD11 LEU 6 HD11 LEU 6 -21.565 -0.514 4.448
39 HD12 LEU 6 HD12 LEU 6 -20.191 0.324 3.724
40 HD13 LEU 6 HD13 LEU 6 -19.946 -0.734 5.113
41 HD21 LEU 6 HD21 LEU 6 -21.590 -3.289 4.047
42 HD22 LEU 6 HD22 LEU 6 -20.159 -2.984 5.032
43 HD23 LEU 6 HD23 LEU 6 -20.015 -3.886 3.523
44 H ILE 7 H ILE 7 -20.910 -2.803 -0.619
45 HA ILE 7 HA ILE 7 -18.137 -3.691 -0.685
46 HB ILE 7 HB ILE 7 -20.546 -4.320 -2.432
47 HG12 ILE 7 HG12 ILE 7 -19.698 -6.366 -0.545
48 HG13 ILE 7 HG13 ILE 7 -20.086 -4.862 0.290
49 HG21 ILE 7 HG21 ILE 7 -18.521 -5.014 -3.561
50 HG22 ILE 7 HG22 ILE 7 -19.272 -6.451 -2.870
51 HG23 ILE 7 HG23 ILE 7 -17.878 -5.717 -2.076
52 HD11 ILE 7 HD11 ILE 7 -22.131 -6.120 0.120
53 HD12 ILE 7 HD12 ILE 7 -21.865 -6.423 -1.597
54 HD13 ILE 7 HD13 ILE 7 -22.241 -4.794 -1.039
55 H GLU 8 H GLU 8 -20.219 -1.731 -2.803
56 HA GLU 8 HA GLU 8 -18.512 -1.551 -5.082
57 HB2 GLU 8 HB2 GLU 8 -20.961 -0.838 -4.686
58 HB3 GLU 8 HB3 GLU 8 -20.292 0.645 -4.006
59 HG2 GLU 8 HG2 GLU 8 -18.893 0.307 -6.400
60 HG3 GLU 8 HG3 GLU 8 -20.548 -0.150 -6.801
61 H GLU 9 H GLU 9 -18.618 0.385 -2.081
62 HA GLU 9 HA GLU 9 -16.779 2.433 -2.817
63 HB2 GLU 9 HB2 GLU 9 -18.338 2.165 -0.781
64 HB3 GLU 9 HB3 GLU 9 -17.050 1.193 -0.071
65 HG2 GLU 9 HG2 GLU 9 -16.634 3.387 0.726
66 HG3 GLU 9 HG3 GLU 9 -15.497 3.185 -0.608
67 H GLY 10 H GLY 10 -16.197 -0.836 -1.505
68 HA2 GLY 10 HA2 GLY 10 -13.265 -0.322 -1.600
69 HA3 GLY 10 HA3 GLY 10 -14.033 -1.671 -0.768
70 H GLN 11 H GLN 11 -15.169 -0.938 -3.981
71 HA GLN 11 HA GLN 11 -14.157 -3.548 -4.927
72 HB2 GLN 11 HB2 GLN 11 -16.453 -2.095 -5.290
73 HB3 GLN 11 HB3 GLN 11 -15.571 -1.703 -6.766
74 HG2 GLN 11 HG2 GLN 11 -15.172 -4.435 -6.515
75 HG3 GLN 11 HG3 GLN 11 -16.834 -4.225 -5.962
76 HE21 GLN 11 HE21 GLN 11 -14.875 -4.460 -8.767
77 HE22 GLN 11 HE22 GLN 11 -16.030 -3.939 -9.896
78 H ARG 12 H ARG 12 -14.033 -0.168 -6.137
79 HA ARG 12 HA ARG 12 -11.779 -0.812 -7.921
80 HB2 ARG 12 HB2 ARG 12 -12.124 1.445 -8.705
81 HB3 ARG 12 HB3 ARG 12 -13.717 0.746 -8.427
82 HG2 ARG 12 HG2 ARG 12 -13.504 1.794 -6.047
83 HG3 ARG 12 HG3 ARG 12 -12.239 2.785 -6.771
84 HD2 ARG 12 HD2 ARG 12 -14.664 2.651 -8.428
85 HD3 ARG 12 HD3 ARG 12 -14.940 3.387 -6.838
86 HE ARG 12 HE ARG 12 -13.342 4.544 -8.964
87 HH11 ARG 12 HH11 ARG 12 -14.777 5.692 -6.390
88 HH12 ARG 12 HH12 ARG 12 -13.420 6.463 -5.639
89 HH21 ARG 12 HH21 ARG 12 -11.071 4.858 -7.633
90 HH22 ARG 12 HH22 ARG 12 -11.313 5.985 -6.340
91 H ILE 13 H ILE 13 -12.222 0.465 -4.698
92 HA ILE 13 HA ILE 13 -9.634 1.828 -4.557
93 HB ILE 13 HB ILE 13 -11.708 0.973 -2.511
94 HG12 ILE 13 HG12 ILE 13 -12.491 2.674 -4.101
95 HG13 ILE 13 HG13 ILE 13 -12.258 3.398 -2.511
96 HG21 ILE 13 HG21 ILE 13 -9.160 2.573 -2.222
97 HG22 ILE 13 HG22 ILE 13 -9.688 1.182 -1.275
98 HG23 ILE 13 HG23 ILE 13 -10.499 2.736 -1.085
99 HD11 ILE 13 HD11 ILE 13 -10.627 3.741 -5.006
100 HD12 ILE 13 HD12 ILE 13 -9.834 3.908 -3.440
101 HD13 ILE 13 HD13 ILE 13 -11.185 4.961 -3.862
102 H ALA 14 H ALA 14 -10.904 -1.389 -3.750
103 HA ALA 14 HA ALA 14 -8.838 -2.367 -2.073
104 HB1 ALA 14 HB1 ALA 14 -10.840 -3.472 -3.991
105 HB2 ALA 14 HB2 ALA 14 -10.615 -3.826 -2.278
106 HB3 ALA 14 HB3 ALA 14 -9.548 -4.558 -3.476
107 H GLU 15 H GLU 15 -9.073 -2.601 -5.650
108 HA GLU 15 HA GLU 15 -6.490 -3.787 -6.054
109 HB2 GLU 15 HB2 GLU 15 -8.709 -2.680 -7.583
110 HB3 GLU 15 HB3 GLU 15 -7.164 -2.259 -8.320
111 HG2 GLU 15 HG2 GLU 15 -7.701 -4.358 -9.272
112 HG3 GLU 15 HG3 GLU 15 -6.543 -4.746 -8.002
113 H MET 16 H MET 16 -7.579 -0.371 -6.132
114 HA MET 16 HA MET 16 -5.060 0.803 -6.834
115 HB2 MET 16 HB2 MET 16 -7.557 1.704 -6.587
116 HB3 MET 16 HB3 MET 16 -6.998 2.146 -4.974
117 HG2 MET 16 HG2 MET 16 -5.373 2.866 -7.408
118 HG3 MET 16 HG3 MET 16 -6.718 3.882 -6.892
119 HE1 MET 16 HE1 MET 16 -5.572 5.971 -6.344
120 HE2 MET 16 HE2 MET 16 -5.124 6.215 -4.657
121 HE3 MET 16 HE3 MET 16 -6.693 5.516 -5.052
122 H LEU 17 H LEU 17 -6.454 -0.181 -3.714
123 HA LEU 17 HA LEU 17 -4.426 1.008 -2.040
124 HB2 LEU 17 HB2 LEU 17 -6.766 0.191 -1.433
125 HB3 LEU 17 HB3 LEU 17 -6.117 -1.447 -1.499
126 HG LEU 17 HG LEU 17 -4.369 -0.729 0.182
127 HD11 LEU 17 HD11 LEU 17 -6.057 1.768 0.065
128 HD12 LEU 17 HD12 LEU 17 -4.300 1.622 0.021
129 HD13 LEU 17 HD13 LEU 17 -5.170 1.346 1.529
130 HD21 LEU 17 HD21 LEU 17 -5.948 -0.780 2.102
131 HD22 LEU 17 HD22 LEU 17 -6.370 -1.977 0.878
132 HD23 LEU 17 HD23 LEU 17 -7.285 -0.473 0.993
133 H LYS 18 H LYS 18 -4.703 -2.077 -3.734
134 HA LYS 18 HA LYS 18 -2.579 -3.508 -2.461
135 HB2 LYS 18 HB2 LYS 18 -4.359 -3.760 -4.685
136 HB3 LYS 18 HB3 LYS 18 -2.731 -4.088 -5.274
137 HG2 LYS 18 HG2 LYS 18 -3.052 -6.175 -4.453
138 HG3 LYS 18 HG3 LYS 18 -2.759 -5.442 -2.875
139 HD2 LYS 18 HD2 LYS 18 -5.206 -4.979 -2.679
140 HD3 LYS 18 HD3 LYS 18 -5.458 -5.834 -4.201
141 HE2 LYS 18 HE2 LYS 18 -5.764 -7.638 -2.799
142 HE3 LYS 18 HE3 LYS 18 -3.992 -7.691 -2.837
143 HZ1 LYS 18 HZ1 LYS 18 -3.931 -6.210 -0.927
144 HZ2 LYS 18 HZ2 LYS 18 -4.826 -7.606 -0.554
145 HZ3 LYS 18 HZ3 LYS 18 -5.627 -6.146 -0.890
146 H SER 19 H SER 19 -2.563 -1.433 -5.388
147 HA SER 19 HA SER 19 0.331 -1.597 -5.729
148 HB2 SER 19 HB2 SER 19 -0.200 0.298 -7.362
149 HB3 SER 19 HB3 SER 19 -1.069 -1.207 -7.643
150 HG SER 19 HG SER 19 -1.978 1.264 -6.767
151 H LYS 20 H LYS 20 -1.935 0.662 -4.180
152 HA LYS 20 HA LYS 20 -0.081 2.800 -3.672
153 HB2 LYS 20 HB2 LYS 20 -2.573 2.908 -3.553
154 HB3 LYS 20 HB3 LYS 20 -2.527 1.887 -2.116
155 HG2 LYS 20 HG2 LYS 20 -1.910 3.609 -0.775
156 HG3 LYS 20 HG3 LYS 20 -0.735 4.211 -1.946
157 HD2 LYS 20 HD2 LYS 20 -2.424 5.904 -1.737
158 HD3 LYS 20 HD3 LYS 20 -2.694 5.109 -3.289
159 HE2 LYS 20 HE2 LYS 20 -4.674 4.145 -2.602
160 HE3 LYS 20 HE3 LYS 20 -4.117 3.952 -0.928
161 HZ1 LYS 20 HZ1 LYS 20 -5.775 5.728 -1.134
162 HZ2 LYS 20 HZ2 LYS 20 -4.767 6.551 -2.227
163 HZ3 LYS 20 HZ3 LYS 20 -4.278 6.331 -0.613
164 H ILE 21 H ILE 21 -1.053 -0.046 -1.716
165 HA ILE 21 HA ILE 21 0.524 0.566 0.597
166 HB ILE 21 HB ILE 21 -0.614 -1.951 -0.633
167 HG12 ILE 21 HG12 ILE 21 -2.091 -0.172 0.421
168 HG13 ILE 21 HG13 ILE 21 -2.238 -1.775 1.138
169 HG21 ILE 21 HG21 ILE 21 1.082 -1.656 1.849
170 HG22 ILE 21 HG22 ILE 21 1.222 -2.849 0.557
171 HG23 ILE 21 HG23 ILE 21 -0.113 -2.946 1.706
172 HD11 ILE 21 HD11 ILE 21 -0.282 0.212 2.277
173 HD12 ILE 21 HD12 ILE 21 -1.054 -1.160 3.071
174 HD13 ILE 21 HD13 ILE 21 -1.986 0.295 2.718
175 H GLN 22 H GLN 22 1.301 -1.062 -2.445
176 HA GLN 22 HA GLN 22 3.861 -2.133 -1.697
177 HB2 GLN 22 HB2 GLN 22 2.243 -2.364 -3.819
178 HB3 GLN 22 HB3 GLN 22 3.308 -1.114 -4.462
179 HG2 GLN 22 HG2 GLN 22 4.388 -3.644 -3.206
180 HG3 GLN 22 HG3 GLN 22 3.987 -3.550 -4.920
181 HE21 GLN 22 HE21 GLN 22 6.588 -3.271 -2.887
182 HE22 GLN 22 HE22 GLN 22 7.531 -2.172 -3.774
183 H GLY 23 H GLY 23 2.896 1.000 -3.136
184 HA2 GLY 23 HA2 GLY 23 5.562 2.051 -3.393
185 HA3 GLY 23 HA3 GLY 23 4.084 3.015 -3.363
186 H LEU 24 H LEU 24 3.150 2.133 -0.787
187 HA LEU 24 HA LEU 24 4.686 3.904 0.947
188 HB2 LEU 24 HB2 LEU 24 2.192 2.305 0.974
189 HB3 LEU 24 HB3 LEU 24 2.947 2.513 2.554
190 HG LEU 24 HG LEU 24 3.152 5.040 1.723
191 HD11 LEU 24 HD11 LEU 24 0.716 3.973 0.261
192 HD12 LEU 24 HD12 LEU 24 2.188 4.574 -0.501
193 HD13 LEU 24 HD13 LEU 24 1.157 5.674 0.412
194 HD21 LEU 24 HD21 LEU 24 0.590 3.780 2.758
195 HD22 LEU 24 HD22 LEU 24 1.014 5.488 2.891
196 HD23 LEU 24 HD23 LEU 24 1.965 4.273 3.745
197 H LEU 25 H LEU 25 4.476 0.402 0.451
198 HA LEU 25 HA LEU 25 5.773 -0.460 2.851
199 HB2 LEU 25 HB2 LEU 25 4.480 -1.705 0.933
200 HB3 LEU 25 HB3 LEU 25 6.076 -1.845 0.198
201 HG LEU 25 HG LEU 25 6.338 -2.515 2.960
202 HD11 LEU 25 HD11 LEU 25 4.783 -4.314 3.245
203 HD12 LEU 25 HD12 LEU 25 4.230 -4.187 1.576
204 HD13 LEU 25 HD13 LEU 25 3.834 -2.919 2.735
205 HD21 LEU 25 HD21 LEU 25 6.734 -4.840 1.791
206 HD22 LEU 25 HD22 LEU 25 7.845 -3.507 1.475
207 HD23 LEU 25 HD23 LEU 25 6.585 -3.903 0.304
208 H GLN 26 H GLN 26 7.077 1.124 0.022
209 HA GLN 26 HA GLN 26 9.704 0.149 -0.155
210 HB2 GLN 26 HB2 GLN 26 8.717 1.858 -1.621
211 HB3 GLN 26 HB3 GLN 26 8.669 3.004 -0.282
212 HG2 GLN 26 HG2 GLN 26 11.318 1.780 -0.822
213 HG3 GLN 26 HG3 GLN 26 10.718 2.875 -2.067
214 HE21 GLN 26 HE21 GLN 26 9.557 4.952 -0.837
215 HE22 GLN 26 HE22 GLN 26 10.561 5.672 0.326
216 H GLN 27 H GLN 27 8.519 2.730 2.055
217 HA GLN 27 HA GLN 27 11.072 2.912 3.459
218 HB2 GLN 27 HB2 GLN 27 8.328 4.082 3.619
219 HB3 GLN 27 HB3 GLN 27 9.335 4.183 5.063
220 HG2 GLN 27 HG2 GLN 27 10.824 5.630 4.095
221 HG3 GLN 27 HG3 GLN 27 10.658 4.895 2.500
222 HE21 GLN 27 HE21 GLN 27 9.390 7.385 4.636
223 HE22 GLN 27 HE22 GLN 27 8.310 8.059 3.513
224 H ALA 28 H ALA 28 7.959 1.324 4.043
225 HA ALA 28 HA ALA 28 8.510 0.424 6.724
226 HB1 ALA 28 HB1 ALA 28 6.725 -0.908 4.681
227 HB2 ALA 28 HB2 ALA 28 6.296 0.631 5.430
228 HB3 ALA 28 HB3 ALA 28 6.491 -0.811 6.426
229 H SER 29 H SER 29 9.428 -0.806 3.571
230 HA SER 29 HA SER 29 9.923 -3.540 4.212
231 HB2 SER 29 HB2 SER 29 11.133 -3.543 2.158
232 HB3 SER 29 HB3 SER 29 9.905 -2.301 1.955
233 HG SER 29 HG SER 29 12.629 -2.099 2.029
234 H LYS 30 H LYS 30 11.916 -0.631 4.709
235 HA LYS 30 HA LYS 30 14.358 -1.950 5.451
236 HB2 LYS 30 HB2 LYS 30 13.140 0.714 5.512
237 HB3 LYS 30 HB3 LYS 30 14.200 0.436 6.893
238 HG2 LYS 30 HG2 LYS 30 15.754 1.178 5.344
239 HG3 LYS 30 HG3 LYS 30 15.813 -0.556 5.031
240 HD2 LYS 30 HD2 LYS 30 15.572 0.386 2.882
241 HD3 LYS 30 HD3 LYS 30 13.931 -0.102 3.307
242 HE2 LYS 30 HE2 LYS 30 13.786 2.352 4.302
243 HE3 LYS 30 HE3 LYS 30 15.102 2.660 3.152
244 HZ1 LYS 30 HZ1 LYS 30 13.046 2.967 2.003
245 HZ2 LYS 30 HZ2 LYS 30 12.440 1.477 2.553
246 HZ3 LYS 30 HZ3 LYS 30 13.729 1.518 1.446
247 H GLN 31 H GLN 31 11.511 -0.932 7.341
248 HA GLN 31 HA GLN 31 12.584 -1.674 9.930
249 HB2 GLN 31 HB2 GLN 31 9.806 -1.221 8.800
250 HB3 GLN 31 HB3 GLN 31 10.094 -1.548 10.509
251 HG2 GLN 31 HG2 GLN 31 11.696 0.615 9.197
252 HG3 GLN 31 HG3 GLN 31 10.010 0.949 9.594
253 HE21 GLN 31 HE21 GLN 31 9.381 0.496 11.955
254 HE22 GLN 31 HE22 GLN 31 10.560 0.748 13.149
255 H ALA 32 H ALA 32 10.758 -3.390 7.415
256 HA ALA 32 HA ALA 32 10.234 -5.754 9.047
257 HB1 ALA 32 HB1 ALA 32 10.002 -4.987 6.136
258 HB2 ALA 32 HB2 ALA 32 8.709 -5.297 7.295
259 HB3 ALA 32 HB3 ALA 32 9.673 -6.636 6.669
260 H GLN 33 H GLN 33 12.781 -4.721 6.815
261 HA GLN 33 HA GLN 33 14.006 -7.226 6.249
262 HB2 GLN 33 HB2 GLN 33 14.944 -4.369 6.501
263 HB3 GLN 33 HB3 GLN 33 16.083 -5.652 6.098
264 HG2 GLN 33 HG2 GLN 33 13.507 -5.426 4.565
265 HG3 GLN 33 HG3 GLN 33 14.854 -4.362 4.164
266 HE21 GLN 33 HE21 GLN 33 17.079 -5.714 4.013
267 HE22 GLN 33 HE22 GLN 33 16.962 -7.160 3.135
268 H ASP 34 H ASP 34 14.160 -5.189 9.140
269 HA ASP 34 HA ASP 34 16.477 -6.262 10.393
270 HB2 ASP 34 HB2 ASP 34 13.917 -4.955 11.269
271 HB3 ASP 34 HB3 ASP 34 15.014 -5.590 12.495
272 H ILE 35 H ILE 35 13.059 -7.185 11.107
273 HA ILE 35 HA ILE 35 13.924 -10.011 11.442
274 HB ILE 35 HB ILE 35 14.266 -8.656 13.568
275 HG12 ILE 35 HG12 ILE 35 13.054 -10.354 15.020
276 HG13 ILE 35 HG13 ILE 35 12.347 -11.002 13.540
277 HG21 ILE 35 HG21 ILE 35 12.352 -7.940 14.829
278 HG22 ILE 35 HG22 ILE 35 11.240 -8.707 13.694
279 HG23 ILE 35 HG23 ILE 35 12.162 -7.286 13.202
280 HD11 ILE 35 HD11 ILE 35 14.492 -12.137 14.365
281 HD12 ILE 35 HD12 ILE 35 15.331 -10.667 13.876
282 HD13 ILE 35 HD13 ILE 35 14.474 -11.633 12.676
283 H GLN 36 H GLN 36 12.024 -8.461 9.641
284 HA GLN 36 HA GLN 36 9.529 -9.999 10.296
285 HB2 GLN 36 HB2 GLN 36 9.730 -7.346 10.478
286 HB3 GLN 36 HB3 GLN 36 9.495 -7.440 8.734
287 HG2 GLN 36 HG2 GLN 36 7.669 -8.886 10.656
288 HG3 GLN 36 HG3 GLN 36 7.377 -7.213 10.179
289 HE21 GLN 36 HE21 GLN 36 7.211 -10.543 9.104
290 HE22 GLN 36 HE22 GLN 36 6.564 -10.218 7.569
291 HA PRO 37 HA PRO 37 11.102 -11.328 6.173
292 HB2 PRO 37 HB2 PRO 37 10.399 -13.958 6.473
293 HB3 PRO 37 HB3 PRO 37 11.935 -13.292 7.062
294 HG2 PRO 37 HG2 PRO 37 9.442 -13.912 8.562
295 HG3 PRO 37 HG3 PRO 37 11.134 -14.115 9.046
296 HD2 PRO 37 HD2 PRO 37 9.552 -12.054 9.892
297 HD3 PRO 37 HD3 PRO 37 11.323 -11.956 9.770
298 H ALA 38 H ALA 38 9.478 -10.317 4.947
299 HA ALA 38 HA ALA 38 6.723 -11.486 5.009
300 HB1 ALA 38 HB1 ALA 38 6.947 -9.076 5.391
301 HB2 ALA 38 HB2 ALA 38 6.167 -9.348 3.833
302 HB3 ALA 38 HB3 ALA 38 7.872 -8.903 3.899
303 H MET 39 H MET 39 9.320 -10.521 2.738
304 HA MET 39 HA MET 39 7.962 -12.029 0.549
305 HB2 MET 39 HB2 MET 39 9.982 -9.838 0.811
306 HB3 MET 39 HB3 MET 39 10.078 -10.863 -0.621
307 HG2 MET 39 HG2 MET 39 7.833 -10.326 -1.268
308 HG3 MET 39 HG3 MET 39 7.503 -9.555 0.285
309 HE1 MET 39 HE1 MET 39 7.375 -6.549 -2.120
310 HE2 MET 39 HE2 MET 39 6.551 -7.512 -0.896
311 HE3 MET 39 HE3 MET 39 6.872 -8.207 -2.483
312 H GLN 40 H GLN 40 11.140 -11.792 2.190
313 HA GLN 40 HA GLN 40 11.771 -14.554 1.193
314 HB2 GLN 40 HB2 GLN 40 13.180 -12.005 1.137
315 HB3 GLN 40 HB3 GLN 40 14.142 -13.242 1.945
316 HG2 GLN 40 HG2 GLN 40 14.188 -14.629 0.054
317 HG3 GLN 40 HG3 GLN 40 12.770 -13.863 -0.660
318 HE21 GLN 40 HE21 GLN 40 16.213 -13.189 0.158
319 HE22 GLN 40 HE22 GLN 40 16.435 -12.045 -1.075
Start of MODEL 24
1 HA ALA 1 HA ALA 1 -28.988 5.192 1.178
2 HB1 ALA 1 HB1 ALA 1 -26.747 5.336 0.080
3 HB2 ALA 1 HB2 ALA 1 -26.099 6.054 1.555
4 HB3 ALA 1 HB3 ALA 1 -27.327 6.911 0.622
5 H SER 2 H SER 2 -28.173 3.054 0.460
6 HA SER 2 HA SER 2 -27.598 1.278 2.737
7 HB2 SER 2 HB2 SER 2 -28.549 1.124 -0.051
8 HB3 SER 2 HB3 SER 2 -27.541 -0.238 0.433
9 HG SER 2 HG SER 2 -30.007 0.641 1.446
10 H ARG 3 H ARG 3 -25.652 0.176 3.079
11 HA ARG 3 HA ARG 3 -23.242 1.283 1.851
12 HB2 ARG 3 HB2 ARG 3 -22.214 0.329 3.674
13 HB3 ARG 3 HB3 ARG 3 -23.865 0.306 4.282
14 HG2 ARG 3 HG2 ARG 3 -22.750 -2.028 2.718
15 HG3 ARG 3 HG3 ARG 3 -22.478 -1.878 4.451
16 HD2 ARG 3 HD2 ARG 3 -24.843 -1.937 4.918
17 HD3 ARG 3 HD3 ARG 3 -25.242 -1.794 3.195
18 HE ARG 3 HE ARG 3 -24.352 -4.042 2.846
19 HH11 ARG 3 HH11 ARG 3 -22.315 -4.307 4.925
20 HH12 ARG 3 HH12 ARG 3 -23.084 -5.288 6.128
21 HH21 ARG 3 HH21 ARG 3 -26.291 -4.728 4.909
22 HH22 ARG 3 HH22 ARG 3 -25.343 -5.526 6.119
23 H ALA 4 H ALA 4 -25.353 -1.277 0.978
24 HA ALA 4 HA ALA 4 -23.696 -3.316 -0.024
25 HB1 ALA 4 HB1 ALA 4 -26.216 -2.101 -1.202
26 HB2 ALA 4 HB2 ALA 4 -26.159 -3.344 0.049
27 HB3 ALA 4 HB3 ALA 4 -25.591 -3.706 -1.581
28 H ALA 5 H ALA 5 -24.620 -0.246 -1.619
29 HA ALA 5 HA ALA 5 -23.317 -0.714 -4.125
30 HB1 ALA 5 HB1 ALA 5 -23.591 1.963 -2.741
31 HB2 ALA 5 HB2 ALA 5 -25.001 1.098 -3.355
32 HB3 ALA 5 HB3 ALA 5 -23.727 1.606 -4.463
33 H LEU 6 H LEU 6 -22.144 0.706 -1.066
34 HA LEU 6 HA LEU 6 -19.546 1.499 -2.021
35 HB2 LEU 6 HB2 LEU 6 -20.978 1.982 0.175
36 HB3 LEU 6 HB3 LEU 6 -20.039 0.628 0.805
37 HG LEU 6 HG LEU 6 -18.644 2.862 -0.650
38 HD11 LEU 6 HD11 LEU 6 -19.963 4.030 1.016
39 HD12 LEU 6 HD12 LEU 6 -18.300 3.937 1.597
40 HD13 LEU 6 HD13 LEU 6 -19.526 2.850 2.251
41 HD21 LEU 6 HD21 LEU 6 -16.992 2.122 1.309
42 HD22 LEU 6 HD22 LEU 6 -17.107 1.189 -0.183
43 HD23 LEU 6 HD23 LEU 6 -17.969 0.655 1.260
44 H ILE 7 H ILE 7 -20.819 -1.567 -0.741
45 HA ILE 7 HA ILE 7 -18.256 -2.854 -0.350
46 HB ILE 7 HB ILE 7 -21.063 -3.909 -0.857
47 HG12 ILE 7 HG12 ILE 7 -19.596 -3.886 1.775
48 HG13 ILE 7 HG13 ILE 7 -20.433 -2.436 1.224
49 HG21 ILE 7 HG21 ILE 7 -20.315 -6.049 -0.124
50 HG22 ILE 7 HG22 ILE 7 -18.763 -5.409 0.415
51 HG23 ILE 7 HG23 ILE 7 -19.118 -5.526 -1.308
52 HD11 ILE 7 HD11 ILE 7 -21.696 -4.258 2.683
53 HD12 ILE 7 HD12 ILE 7 -21.895 -5.046 1.118
54 HD13 ILE 7 HD13 ILE 7 -22.525 -3.418 1.372
55 H GLU 8 H GLU 8 -20.542 -2.698 -3.090
56 HA GLU 8 HA GLU 8 -19.050 -4.518 -4.794
57 HB2 GLU 8 HB2 GLU 8 -21.537 -3.227 -4.754
58 HB3 GLU 8 HB3 GLU 8 -20.706 -2.516 -6.138
59 HG2 GLU 8 HG2 GLU 8 -20.644 -4.501 -7.297
60 HG3 GLU 8 HG3 GLU 8 -20.509 -5.474 -5.832
61 H GLU 9 H GLU 9 -19.405 -0.940 -4.757
62 HA GLU 9 HA GLU 9 -17.397 -0.451 -6.780
63 HB2 GLU 9 HB2 GLU 9 -19.355 0.993 -5.755
64 HB3 GLU 9 HB3 GLU 9 -18.125 1.486 -4.592
65 HG2 GLU 9 HG2 GLU 9 -17.786 3.097 -6.217
66 HG3 GLU 9 HG3 GLU 9 -16.685 1.852 -6.803
67 H GLY 10 H GLY 10 -17.285 -0.914 -3.289
68 HA2 GLY 10 HA2 GLY 10 -14.775 0.238 -2.681
69 HA3 GLY 10 HA3 GLY 10 -15.492 -1.112 -1.804
70 H GLN 11 H GLN 11 -15.533 -2.832 -4.275
71 HA GLN 11 HA GLN 11 -13.056 -4.178 -3.943
72 HB2 GLN 11 HB2 GLN 11 -13.848 -5.558 -5.680
73 HB3 GLN 11 HB3 GLN 11 -15.332 -4.859 -5.039
74 HG2 GLN 11 HG2 GLN 11 -15.285 -3.140 -6.821
75 HG3 GLN 11 HG3 GLN 11 -13.809 -3.858 -7.467
76 HE21 GLN 11 HE21 GLN 11 -17.299 -4.414 -7.022
77 HE22 GLN 11 HE22 GLN 11 -17.402 -5.698 -8.129
78 H ARG 12 H ARG 12 -13.950 -1.551 -6.164
79 HA ARG 12 HA ARG 12 -11.416 -1.672 -7.648
80 HB2 ARG 12 HB2 ARG 12 -13.785 -0.879 -8.399
81 HB3 ARG 12 HB3 ARG 12 -13.382 0.621 -7.564
82 HG2 ARG 12 HG2 ARG 12 -12.634 1.063 -9.736
83 HG3 ARG 12 HG3 ARG 12 -11.162 0.491 -8.950
84 HD2 ARG 12 HD2 ARG 12 -12.192 -1.884 -9.798
85 HD3 ARG 12 HD3 ARG 12 -12.783 -0.802 -11.074
86 HE ARG 12 HE ARG 12 -10.200 0.027 -10.848
87 HH11 ARG 12 HH11 ARG 12 -11.145 -1.836 -13.069
88 HH12 ARG 12 HH12 ARG 12 -10.000 -3.128 -12.935
89 HH21 ARG 12 HH21 ARG 12 -8.916 -2.188 -9.769
90 HH22 ARG 12 HH22 ARG 12 -8.732 -3.327 -11.061
91 H ILE 13 H ILE 13 -12.885 0.394 -5.134
92 HA ILE 13 HA ILE 13 -10.741 2.293 -4.903
93 HB ILE 13 HB ILE 13 -12.812 1.273 -2.922
94 HG12 ILE 13 HG12 ILE 13 -13.000 3.914 -4.306
95 HG13 ILE 13 HG13 ILE 13 -13.343 2.476 -5.267
96 HG21 ILE 13 HG21 ILE 13 -10.973 3.676 -2.871
97 HG22 ILE 13 HG22 ILE 13 -11.144 2.417 -1.649
98 HG23 ILE 13 HG23 ILE 13 -12.441 3.586 -1.899
99 HD11 ILE 13 HD11 ILE 13 -14.607 2.837 -2.557
100 HD12 ILE 13 HD12 ILE 13 -15.153 1.844 -3.908
101 HD13 ILE 13 HD13 ILE 13 -15.310 3.598 -3.984
102 H ALA 14 H ALA 14 -11.382 -0.829 -3.302
103 HA ALA 14 HA ALA 14 -9.231 -0.746 -1.403
104 HB1 ALA 14 HB1 ALA 14 -9.624 -3.239 -1.418
105 HB2 ALA 14 HB2 ALA 14 -10.699 -3.008 -2.796
106 HB3 ALA 14 HB3 ALA 14 -11.100 -2.291 -1.235
107 H GLU 15 H GLU 15 -9.403 -1.961 -4.765
108 HA GLU 15 HA GLU 15 -6.771 -3.115 -4.855
109 HB2 GLU 15 HB2 GLU 15 -8.861 -2.168 -6.778
110 HB3 GLU 15 HB3 GLU 15 -7.246 -2.481 -7.414
111 HG2 GLU 15 HG2 GLU 15 -8.583 -4.506 -5.632
112 HG3 GLU 15 HG3 GLU 15 -8.975 -4.443 -7.350
113 H MET 16 H MET 16 -7.982 0.155 -5.655
114 HA MET 16 HA MET 16 -5.475 1.215 -6.601
115 HB2 MET 16 HB2 MET 16 -8.173 2.040 -6.173
116 HB3 MET 16 HB3 MET 16 -7.139 3.205 -5.345
117 HG2 MET 16 HG2 MET 16 -6.429 2.328 -8.129
118 HG3 MET 16 HG3 MET 16 -7.693 3.535 -7.898
119 HE1 MET 16 HE1 MET 16 -5.875 4.654 -9.566
120 HE2 MET 16 HE2 MET 16 -4.513 3.588 -9.225
121 HE3 MET 16 HE3 MET 16 -4.331 5.329 -9.029
122 H LEU 17 H LEU 17 -7.084 1.336 -3.397
123 HA LEU 17 HA LEU 17 -5.023 2.805 -2.044
124 HB2 LEU 17 HB2 LEU 17 -7.482 2.189 -1.403
125 HB3 LEU 17 HB3 LEU 17 -6.769 0.709 -0.760
126 HG LEU 17 HG LEU 17 -5.080 2.421 0.375
127 HD11 LEU 17 HD11 LEU 17 -5.842 4.483 -0.488
128 HD12 LEU 17 HD12 LEU 17 -6.555 4.418 1.123
129 HD13 LEU 17 HD13 LEU 17 -7.538 4.041 -0.291
130 HD21 LEU 17 HD21 LEU 17 -6.385 0.922 1.705
131 HD22 LEU 17 HD22 LEU 17 -7.890 1.732 1.266
132 HD23 LEU 17 HD23 LEU 17 -6.733 2.536 2.326
133 H LYS 18 H LYS 18 -5.531 -0.659 -2.594
134 HA LYS 18 HA LYS 18 -3.492 -1.719 -0.913
135 HB2 LYS 18 HB2 LYS 18 -5.263 -3.012 -2.068
136 HB3 LYS 18 HB3 LYS 18 -4.513 -2.647 -3.622
137 HG2 LYS 18 HG2 LYS 18 -2.368 -3.692 -2.457
138 HG3 LYS 18 HG3 LYS 18 -3.579 -4.490 -1.453
139 HD2 LYS 18 HD2 LYS 18 -4.008 -4.505 -4.409
140 HD3 LYS 18 HD3 LYS 18 -2.751 -5.559 -3.762
141 HE2 LYS 18 HE2 LYS 18 -5.293 -5.630 -2.244
142 HE3 LYS 18 HE3 LYS 18 -5.395 -6.267 -3.898
143 HZ1 LYS 18 HZ1 LYS 18 -3.492 -7.654 -3.489
144 HZ2 LYS 18 HZ2 LYS 18 -4.643 -7.950 -2.275
145 HZ3 LYS 18 HZ3 LYS 18 -3.277 -6.997 -1.939
146 H SER 19 H SER 19 -3.342 -0.520 -4.282
147 HA SER 19 HA SER 19 -0.603 -1.182 -4.808
148 HB2 SER 19 HB2 SER 19 -2.587 -0.320 -6.307
149 HB3 SER 19 HB3 SER 19 -1.983 1.277 -5.874
150 HG SER 19 HG SER 19 -0.745 0.845 -7.560
151 H LYS 20 H LYS 20 -2.123 1.741 -3.418
152 HA LYS 20 HA LYS 20 0.300 3.284 -3.149
153 HB2 LYS 20 HB2 LYS 20 -2.492 3.505 -2.625
154 HB3 LYS 20 HB3 LYS 20 -1.660 3.866 -1.112
155 HG2 LYS 20 HG2 LYS 20 -0.162 5.434 -2.424
156 HG3 LYS 20 HG3 LYS 20 -1.242 5.198 -3.800
157 HD2 LYS 20 HD2 LYS 20 -3.108 6.127 -2.604
158 HD3 LYS 20 HD3 LYS 20 -2.210 6.127 -1.085
159 HE2 LYS 20 HE2 LYS 20 -1.017 7.637 -3.379
160 HE3 LYS 20 HE3 LYS 20 -2.416 8.353 -2.557
161 HZ1 LYS 20 HZ1 LYS 20 0.027 7.322 -1.206
162 HZ2 LYS 20 HZ2 LYS 20 -1.315 8.026 -0.437
163 HZ3 LYS 20 HZ3 LYS 20 -0.330 8.960 -1.458
164 H ILE 21 H ILE 21 -1.417 1.038 -0.965
165 HA ILE 21 HA ILE 21 0.241 1.411 1.347
166 HB ILE 21 HB ILE 21 -1.421 -0.903 0.302
167 HG12 ILE 21 HG12 ILE 21 -2.639 1.200 0.828
168 HG13 ILE 21 HG13 ILE 21 -3.078 -0.103 1.930
169 HG21 ILE 21 HG21 ILE 21 -1.389 -1.534 2.828
170 HG22 ILE 21 HG22 ILE 21 0.079 -0.558 2.893
171 HG23 ILE 21 HG23 ILE 21 0.004 -1.971 1.839
172 HD11 ILE 21 HD11 ILE 21 -1.286 2.270 2.460
173 HD12 ILE 21 HD12 ILE 21 -1.250 0.835 3.487
174 HD13 ILE 21 HD13 ILE 21 -2.735 1.775 3.336
175 H GLN 22 H GLN 22 0.517 -0.686 -1.488
176 HA GLN 22 HA GLN 22 2.724 -2.298 -0.605
177 HB2 GLN 22 HB2 GLN 22 1.065 -2.473 -2.625
178 HB3 GLN 22 HB3 GLN 22 2.239 -1.455 -3.461
179 HG2 GLN 22 HG2 GLN 22 3.788 -3.423 -2.208
180 HG3 GLN 22 HG3 GLN 22 2.386 -4.294 -2.831
181 HE21 GLN 22 HE21 GLN 22 2.137 -4.453 -5.143
182 HE22 GLN 22 HE22 GLN 22 3.321 -3.898 -6.225
183 H GLY 23 H GLY 23 2.555 0.865 -2.247
184 HA2 GLY 23 HA2 GLY 23 5.337 1.142 -2.846
185 HA3 GLY 23 HA3 GLY 23 4.213 2.486 -2.625
186 H LEU 24 H LEU 24 3.422 2.025 0.031
187 HA LEU 24 HA LEU 24 5.589 3.202 1.529
188 HB2 LEU 24 HB2 LEU 24 3.033 3.328 1.853
189 HB3 LEU 24 HB3 LEU 24 3.171 1.754 2.637
190 HG LEU 24 HG LEU 24 5.128 3.744 3.591
191 HD11 LEU 24 HD11 LEU 24 2.153 4.134 4.036
192 HD12 LEU 24 HD12 LEU 24 3.263 5.271 3.271
193 HD13 LEU 24 HD13 LEU 24 3.413 4.917 4.992
194 HD21 LEU 24 HD21 LEU 24 3.857 2.844 5.776
195 HD22 LEU 24 HD22 LEU 24 5.068 1.870 4.942
196 HD23 LEU 24 HD23 LEU 24 3.353 1.585 4.648
197 H LEU 25 H LEU 25 4.509 -0.115 1.013
198 HA LEU 25 HA LEU 25 5.733 -1.463 3.180
199 HB2 LEU 25 HB2 LEU 25 4.261 -2.139 1.019
200 HB3 LEU 25 HB3 LEU 25 5.846 -2.661 0.449
201 HG LEU 25 HG LEU 25 4.981 -3.424 3.218
202 HD11 LEU 25 HD11 LEU 25 3.051 -4.058 1.900
203 HD12 LEU 25 HD12 LEU 25 3.992 -5.515 2.218
204 HD13 LEU 25 HD13 LEU 25 4.079 -4.736 0.637
205 HD21 LEU 25 HD21 LEU 25 6.250 -5.549 2.288
206 HD22 LEU 25 HD22 LEU 25 7.165 -4.130 2.800
207 HD23 LEU 25 HD23 LEU 25 6.854 -4.409 1.086
208 H GLN 26 H GLN 26 7.144 -0.369 0.081
209 HA GLN 26 HA GLN 26 9.716 -1.610 0.374
210 HB2 GLN 26 HB2 GLN 26 8.362 -0.039 -1.472
211 HB3 GLN 26 HB3 GLN 26 9.655 1.030 -0.927
212 HG2 GLN 26 HG2 GLN 26 11.316 -0.306 -1.793
213 HG3 GLN 26 HG3 GLN 26 10.403 -1.793 -1.531
214 HE21 GLN 26 HE21 GLN 26 10.844 0.937 -3.766
215 HE22 GLN 26 HE22 GLN 26 9.975 0.246 -5.049
216 H GLN 27 H GLN 27 8.521 1.626 1.340
217 HA GLN 27 HA GLN 27 10.998 2.565 2.466
218 HB2 GLN 27 HB2 GLN 27 8.956 3.894 1.761
219 HB3 GLN 27 HB3 GLN 27 8.156 3.309 3.219
220 HG2 GLN 27 HG2 GLN 27 9.030 5.331 3.974
221 HG3 GLN 27 HG3 GLN 27 10.327 4.220 4.415
222 HE21 GLN 27 HE21 GLN 27 9.333 6.536 1.857
223 HE22 GLN 27 HE22 GLN 27 10.912 6.854 1.319
224 H ALA 28 H ALA 28 8.307 0.687 3.769
225 HA ALA 28 HA ALA 28 9.244 0.806 6.541
226 HB1 ALA 28 HB1 ALA 28 6.929 0.548 6.324
227 HB2 ALA 28 HB2 ALA 28 7.436 -1.119 6.602
228 HB3 ALA 28 HB3 ALA 28 7.085 -0.565 4.964
229 H SER 29 H SER 29 9.615 -1.362 3.795
230 HA SER 29 HA SER 29 10.622 -3.652 5.230
231 HB2 SER 29 HB2 SER 29 9.753 -3.226 2.751
232 HB3 SER 29 HB3 SER 29 11.468 -2.992 2.434
233 HG SER 29 HG SER 29 11.166 -5.138 2.215
234 H LYS 30 H LYS 30 12.056 -0.580 4.593
235 HA LYS 30 HA LYS 30 14.776 -1.109 4.129
236 HB2 LYS 30 HB2 LYS 30 13.299 0.942 5.793
237 HB3 LYS 30 HB3 LYS 30 15.047 1.019 5.573
238 HG2 LYS 30 HG2 LYS 30 14.790 1.152 3.158
239 HG3 LYS 30 HG3 LYS 30 13.047 0.918 3.296
240 HD2 LYS 30 HD2 LYS 30 12.813 3.148 3.470
241 HD3 LYS 30 HD3 LYS 30 13.667 3.072 5.011
242 HE2 LYS 30 HE2 LYS 30 15.827 3.331 3.856
243 HE3 LYS 30 HE3 LYS 30 14.994 3.366 2.290
244 HZ1 LYS 30 HZ1 LYS 30 13.660 5.248 3.136
245 HZ2 LYS 30 HZ2 LYS 30 15.319 5.612 3.045
246 HZ3 LYS 30 HZ3 LYS 30 14.605 5.265 4.547
247 H GLN 31 H GLN 31 13.059 -1.067 7.273
248 HA GLN 31 HA GLN 31 15.453 -1.941 8.747
249 HB2 GLN 31 HB2 GLN 31 13.078 -0.569 9.283
250 HB3 GLN 31 HB3 GLN 31 12.857 -2.121 10.091
251 HG2 GLN 31 HG2 GLN 31 14.207 -1.436 11.752
252 HG3 GLN 31 HG3 GLN 31 15.531 -1.277 10.598
253 HE21 GLN 31 HE21 GLN 31 12.766 0.535 12.001
254 HE22 GLN 31 HE22 GLN 31 13.421 2.072 11.697
255 H ALA 32 H ALA 32 12.431 -3.359 7.532
256 HA ALA 32 HA ALA 32 12.666 -5.902 8.886
257 HB1 ALA 32 HB1 ALA 32 10.837 -6.508 7.426
258 HB2 ALA 32 HB2 ALA 32 11.263 -5.233 6.284
259 HB3 ALA 32 HB3 ALA 32 10.617 -4.816 7.871
260 H GLN 33 H GLN 33 14.237 -4.600 6.049
261 HA GLN 33 HA GLN 33 14.728 -6.990 4.567
262 HB2 GLN 33 HB2 GLN 33 15.117 -4.450 4.074
263 HB3 GLN 33 HB3 GLN 33 16.694 -4.719 4.818
264 HG2 GLN 33 HG2 GLN 33 17.443 -6.013 3.084
265 HG3 GLN 33 HG3 GLN 33 15.854 -6.721 2.791
266 HE21 GLN 33 HE21 GLN 33 14.197 -5.126 1.772
267 HE22 GLN 33 HE22 GLN 33 14.799 -4.010 0.641
268 H ASP 34 H ASP 34 16.837 -5.366 6.995
269 HA ASP 34 HA ASP 34 17.917 -8.011 7.798
270 HB2 ASP 34 HB2 ASP 34 19.111 -6.819 5.738
271 HB3 ASP 34 HB3 ASP 34 19.882 -5.881 7.018
272 H ILE 35 H ILE 35 16.353 -6.049 9.242
273 HA ILE 35 HA ILE 35 16.341 -4.856 11.276
274 HB ILE 35 HB ILE 35 18.883 -6.471 11.698
275 HG12 ILE 35 HG12 ILE 35 16.511 -7.657 12.835
276 HG13 ILE 35 HG13 ILE 35 16.259 -7.398 11.109
277 HG21 ILE 35 HG21 ILE 35 17.963 -6.469 14.084
278 HG22 ILE 35 HG22 ILE 35 16.845 -5.214 13.549
279 HG23 ILE 35 HG23 ILE 35 18.584 -4.927 13.496
280 HD11 ILE 35 HD11 ILE 35 18.348 -8.577 10.600
281 HD12 ILE 35 HD12 ILE 35 17.298 -9.607 11.574
282 HD13 ILE 35 HD13 ILE 35 18.668 -8.786 12.323
283 H GLN 36 H GLN 36 16.995 -2.991 9.699
284 HA GLN 36 HA GLN 36 19.665 -2.017 9.505
285 HB2 GLN 36 HB2 GLN 36 17.457 -1.339 8.316
286 HB3 GLN 36 HB3 GLN 36 17.204 -0.273 9.699
287 HG2 GLN 36 HG2 GLN 36 19.623 0.554 9.223
288 HG3 GLN 36 HG3 GLN 36 19.408 -0.197 7.643
289 HE21 GLN 36 HE21 GLN 36 17.936 2.251 9.829
290 HE22 GLN 36 HE22 GLN 36 17.206 3.142 8.583
291 HA PRO 37 HA PRO 37 20.202 -0.743 13.745
292 HB2 PRO 37 HB2 PRO 37 22.682 0.373 13.439
293 HB3 PRO 37 HB3 PRO 37 22.413 -1.380 13.511
294 HG2 PRO 37 HG2 PRO 37 22.926 0.360 11.164
295 HG3 PRO 37 HG3 PRO 37 23.437 -1.306 11.471
296 HD2 PRO 37 HD2 PRO 37 21.345 -0.579 9.828
297 HD3 PRO 37 HD3 PRO 37 21.536 -2.177 10.580
298 H ALA 38 H ALA 38 18.470 0.900 13.480
299 HA ALA 38 HA ALA 38 19.206 3.579 12.487
300 HB1 ALA 38 HB1 ALA 38 16.704 2.634 13.920
301 HB2 ALA 38 HB2 ALA 38 16.974 2.407 12.191
302 HB3 ALA 38 HB3 ALA 38 16.861 4.036 12.859
303 H MET 39 H MET 39 18.322 2.097 15.630
304 HA MET 39 HA MET 39 19.145 4.601 17.031
305 HB2 MET 39 HB2 MET 39 17.483 2.170 17.654
306 HB3 MET 39 HB3 MET 39 18.131 3.136 18.979
307 HG2 MET 39 HG2 MET 39 16.798 4.611 16.757
308 HG3 MET 39 HG3 MET 39 15.761 3.688 17.843
309 HE1 MET 39 HE1 MET 39 15.979 6.693 17.124
310 HE2 MET 39 HE2 MET 39 15.980 7.669 18.591
311 HE3 MET 39 HE3 MET 39 14.752 6.424 18.371
312 H GLN 40 H GLN 40 19.636 1.054 17.304
313 HA GLN 40 HA GLN 40 22.246 1.584 18.677
314 HB2 GLN 40 HB2 GLN 40 20.094 -0.478 18.823
315 HB3 GLN 40 HB3 GLN 40 21.744 -1.031 19.105
316 HG2 GLN 40 HG2 GLN 40 22.046 0.473 20.931
317 HG3 GLN 40 HG3 GLN 40 20.593 1.381 20.518
318 HE21 GLN 40 HE21 GLN 40 18.924 0.906 21.958
319 HE22 GLN 40 HE22 GLN 40 18.632 -0.618 22.644
Start of MODEL 25
1 HA ALA 1 HA ALA 1 -30.071 3.531 -1.349
2 HB1 ALA 1 HB1 ALA 1 -30.930 4.585 1.367
3 HB2 ALA 1 HB2 ALA 1 -30.999 5.521 -0.127
4 HB3 ALA 1 HB3 ALA 1 -29.443 4.987 0.508
5 H SER 2 H SER 2 -28.464 2.078 -0.804
6 HA SER 2 HA SER 2 -28.666 0.540 1.741
7 HB2 SER 2 HB2 SER 2 -29.898 -0.726 0.027
8 HB3 SER 2 HB3 SER 2 -28.513 -0.636 -1.057
9 HG SER 2 HG SER 2 -28.267 -2.552 -0.063
10 H ARG 3 H ARG 3 -26.619 -0.236 2.452
11 HA ARG 3 HA ARG 3 -24.278 1.097 1.261
12 HB2 ARG 3 HB2 ARG 3 -24.853 -0.585 3.705
13 HB3 ARG 3 HB3 ARG 3 -23.204 -0.126 3.281
14 HG2 ARG 3 HG2 ARG 3 -25.379 1.955 3.429
15 HG3 ARG 3 HG3 ARG 3 -24.540 1.428 4.888
16 HD2 ARG 3 HD2 ARG 3 -22.626 1.959 2.765
17 HD3 ARG 3 HD3 ARG 3 -23.643 3.381 3.071
18 HE ARG 3 HE ARG 3 -23.061 3.101 5.511
19 HH11 ARG 3 HH11 ARG 3 -21.757 0.381 5.172
20 HH12 ARG 3 HH12 ARG 3 -20.077 0.795 5.235
21 HH21 ARG 3 HH21 ARG 3 -20.623 4.182 4.672
22 HH22 ARG 3 HH22 ARG 3 -19.432 2.955 4.945
23 H ALA 4 H ALA 4 -25.851 -1.841 0.655
24 HA ALA 4 HA ALA 4 -23.799 -3.776 0.447
25 HB1 ALA 4 HB1 ALA 4 -26.303 -4.020 0.123
26 HB2 ALA 4 HB2 ALA 4 -25.331 -4.860 -1.086
27 HB3 ALA 4 HB3 ALA 4 -26.098 -3.322 -1.483
28 H ALA 5 H ALA 5 -24.870 -1.377 -1.998
29 HA ALA 5 HA ALA 5 -22.935 -2.100 -4.008
30 HB1 ALA 5 HB1 ALA 5 -24.019 0.683 -3.680
31 HB2 ALA 5 HB2 ALA 5 -25.146 -0.635 -4.002
32 HB3 ALA 5 HB3 ALA 5 -23.853 -0.281 -5.148
33 H LEU 6 H LEU 6 -22.863 0.169 -1.268
34 HA LEU 6 HA LEU 6 -20.484 1.603 -1.918
35 HB2 LEU 6 HB2 LEU 6 -22.163 1.008 0.447
36 HB3 LEU 6 HB3 LEU 6 -20.495 1.431 0.825
37 HG LEU 6 HG LEU 6 -21.912 3.443 0.779
38 HD11 LEU 6 HD11 LEU 6 -20.468 4.782 -0.514
39 HD12 LEU 6 HD12 LEU 6 -20.231 3.519 -1.723
40 HD13 LEU 6 HD13 LEU 6 -19.484 3.369 -0.132
41 HD21 LEU 6 HD21 LEU 6 -22.358 2.839 -2.157
42 HD22 LEU 6 HD22 LEU 6 -23.078 4.140 -1.207
43 HD23 LEU 6 HD23 LEU 6 -23.543 2.466 -0.904
44 H ILE 7 H ILE 7 -20.959 -1.507 -0.235
45 HA ILE 7 HA ILE 7 -18.133 -1.893 0.378
46 HB ILE 7 HB ILE 7 -20.517 -3.778 0.262
47 HG12 ILE 7 HG12 ILE 7 -19.350 -2.888 2.841
48 HG13 ILE 7 HG13 ILE 7 -20.194 -1.641 1.922
49 HG21 ILE 7 HG21 ILE 7 -18.345 -4.971 0.170
50 HG22 ILE 7 HG22 ILE 7 -19.172 -5.249 1.703
51 HG23 ILE 7 HG23 ILE 7 -17.824 -4.114 1.621
52 HD11 ILE 7 HD11 ILE 7 -21.295 -4.298 2.866
53 HD12 ILE 7 HD12 ILE 7 -22.124 -3.278 1.692
54 HD13 ILE 7 HD13 ILE 7 -21.836 -2.684 3.327
55 H GLU 8 H GLU 8 -20.332 -2.879 -2.238
56 HA GLU 8 HA GLU 8 -18.587 -4.750 -3.550
57 HB2 GLU 8 HB2 GLU 8 -21.173 -3.856 -3.797
58 HB3 GLU 8 HB3 GLU 8 -20.414 -3.114 -5.206
59 HG2 GLU 8 HG2 GLU 8 -19.380 -5.506 -5.559
60 HG3 GLU 8 HG3 GLU 8 -20.715 -6.028 -4.534
61 H GLU 9 H GLU 9 -19.017 -1.224 -3.879
62 HA GLU 9 HA GLU 9 -17.173 -0.955 -6.115
63 HB2 GLU 9 HB2 GLU 9 -18.470 0.913 -4.118
64 HB3 GLU 9 HB3 GLU 9 -17.394 1.501 -5.385
65 HG2 GLU 9 HG2 GLU 9 -18.874 0.248 -7.046
66 HG3 GLU 9 HG3 GLU 9 -20.021 0.038 -5.722
67 H GLY 10 H GLY 10 -16.880 -0.812 -2.583
68 HA2 GLY 10 HA2 GLY 10 -14.377 0.455 -2.304
69 HA3 GLY 10 HA3 GLY 10 -14.978 -0.788 -1.208
70 H GLN 11 H GLN 11 -15.122 -2.864 -3.292
71 HA GLN 11 HA GLN 11 -12.555 -4.053 -3.048
72 HB2 GLN 11 HB2 GLN 11 -14.777 -5.113 -3.630
73 HB3 GLN 11 HB3 GLN 11 -14.603 -4.452 -5.255
74 HG2 GLN 11 HG2 GLN 11 -12.209 -5.881 -4.338
75 HG3 GLN 11 HG3 GLN 11 -13.639 -6.910 -4.407
76 HE21 GLN 11 HE21 GLN 11 -11.260 -6.919 -6.251
77 HE22 GLN 11 HE22 GLN 11 -11.891 -6.647 -7.803
78 H ARG 12 H ARG 12 -13.962 -2.254 -5.819
79 HA ARG 12 HA ARG 12 -11.602 -2.406 -7.480
80 HB2 ARG 12 HB2 ARG 12 -14.067 -1.911 -8.065
81 HB3 ARG 12 HB3 ARG 12 -13.739 -0.262 -7.530
82 HG2 ARG 12 HG2 ARG 12 -11.830 -1.508 -9.467
83 HG3 ARG 12 HG3 ARG 12 -13.399 -0.985 -10.078
84 HD2 ARG 12 HD2 ARG 12 -11.629 0.835 -8.413
85 HD3 ARG 12 HD3 ARG 12 -11.552 0.781 -10.183
86 HE ARG 12 HE ARG 12 -14.273 1.024 -9.604
87 HH11 ARG 12 HH11 ARG 12 -12.201 3.065 -10.835
88 HH12 ARG 12 HH12 ARG 12 -12.610 4.471 -9.913
89 HH21 ARG 12 HH21 ARG 12 -14.470 2.711 -7.562
90 HH22 ARG 12 HH22 ARG 12 -13.900 4.270 -8.052
91 H ILE 13 H ILE 13 -12.866 0.102 -5.255
92 HA ILE 13 HA ILE 13 -10.839 2.073 -5.740
93 HB ILE 13 HB ILE 13 -12.547 1.433 -3.307
94 HG12 ILE 13 HG12 ILE 13 -13.042 3.725 -5.168
95 HG13 ILE 13 HG13 ILE 13 -13.469 2.108 -5.728
96 HG21 ILE 13 HG21 ILE 13 -12.154 3.897 -2.802
97 HG22 ILE 13 HG22 ILE 13 -10.866 3.855 -4.006
98 HG23 ILE 13 HG23 ILE 13 -10.756 2.850 -2.561
99 HD11 ILE 13 HD11 ILE 13 -14.834 1.761 -3.704
100 HD12 ILE 13 HD12 ILE 13 -15.382 3.179 -4.596
101 HD13 ILE 13 HD13 ILE 13 -14.410 3.376 -3.138
102 H ALA 14 H ALA 14 -11.071 -0.533 -3.293
103 HA ALA 14 HA ALA 14 -8.615 0.016 -1.928
104 HB1 ALA 14 HB1 ALA 14 -8.904 -2.321 -1.145
105 HB2 ALA 14 HB2 ALA 14 -10.106 -2.587 -2.409
106 HB3 ALA 14 HB3 ALA 14 -10.432 -1.442 -1.106
107 H GLU 15 H GLU 15 -9.329 -1.915 -4.843
108 HA GLU 15 HA GLU 15 -6.821 -3.226 -5.155
109 HB2 GLU 15 HB2 GLU 15 -9.176 -3.218 -6.450
110 HB3 GLU 15 HB3 GLU 15 -8.280 -2.155 -7.535
111 HG2 GLU 15 HG2 GLU 15 -6.850 -3.821 -8.216
112 HG3 GLU 15 HG3 GLU 15 -6.899 -4.644 -6.656
113 H MET 16 H MET 16 -7.913 -0.037 -6.382
114 HA MET 16 HA MET 16 -5.394 0.654 -7.626
115 HB2 MET 16 HB2 MET 16 -7.756 1.599 -8.003
116 HB3 MET 16 HB3 MET 16 -7.499 2.539 -6.532
117 HG2 MET 16 HG2 MET 16 -6.662 4.066 -8.029
118 HG3 MET 16 HG3 MET 16 -5.196 3.110 -7.816
119 HE1 MET 16 HE1 MET 16 -4.346 1.650 -10.979
120 HE2 MET 16 HE2 MET 16 -4.842 0.748 -9.550
121 HE3 MET 16 HE3 MET 16 -3.950 2.256 -9.366
122 H LEU 17 H LEU 17 -6.790 1.179 -4.400
123 HA LEU 17 HA LEU 17 -4.692 2.932 -3.435
124 HB2 LEU 17 HB2 LEU 17 -7.102 1.541 -2.461
125 HB3 LEU 17 HB3 LEU 17 -5.853 1.741 -1.233
126 HG LEU 17 HG LEU 17 -5.752 4.161 -1.727
127 HD11 LEU 17 HD11 LEU 17 -7.670 5.074 -3.156
128 HD12 LEU 17 HD12 LEU 17 -7.888 3.424 -3.739
129 HD13 LEU 17 HD13 LEU 17 -6.369 4.268 -4.033
130 HD21 LEU 17 HD21 LEU 17 -7.281 3.395 0.024
131 HD22 LEU 17 HD22 LEU 17 -8.537 3.087 -1.175
132 HD23 LEU 17 HD23 LEU 17 -8.015 4.741 -0.849
133 H LYS 18 H LYS 18 -4.943 -0.505 -3.847
134 HA LYS 18 HA LYS 18 -3.242 -1.530 -1.831
135 HB2 LYS 18 HB2 LYS 18 -4.669 -2.710 -3.595
136 HB3 LYS 18 HB3 LYS 18 -3.352 -2.413 -4.729
137 HG2 LYS 18 HG2 LYS 18 -2.083 -3.484 -2.483
138 HG3 LYS 18 HG3 LYS 18 -3.564 -4.430 -2.634
139 HD2 LYS 18 HD2 LYS 18 -1.763 -3.878 -4.999
140 HD3 LYS 18 HD3 LYS 18 -1.535 -5.280 -3.954
141 HE2 LYS 18 HE2 LYS 18 -3.656 -6.200 -4.537
142 HE3 LYS 18 HE3 LYS 18 -4.212 -4.671 -5.244
143 HZ1 LYS 18 HZ1 LYS 18 -3.506 -5.991 -7.052
144 HZ2 LYS 18 HZ2 LYS 18 -2.087 -6.478 -6.257
145 HZ3 LYS 18 HZ3 LYS 18 -2.255 -4.875 -6.799
146 H SER 19 H SER 19 -2.374 -0.342 -5.104
147 HA SER 19 HA SER 19 0.464 -0.710 -4.848
148 HB2 SER 19 HB2 SER 19 -1.351 1.026 -6.530
149 HB3 SER 19 HB3 SER 19 0.399 1.079 -6.720
150 HG SER 19 HG SER 19 0.394 -0.939 -7.463
151 H LYS 20 H LYS 20 -1.677 2.056 -4.122
152 HA LYS 20 HA LYS 20 0.329 3.995 -3.515
153 HB2 LYS 20 HB2 LYS 20 -2.538 3.491 -2.738
154 HB3 LYS 20 HB3 LYS 20 -1.656 4.824 -1.993
155 HG2 LYS 20 HG2 LYS 20 -1.734 6.073 -3.880
156 HG3 LYS 20 HG3 LYS 20 -1.286 4.705 -4.898
157 HD2 LYS 20 HD2 LYS 20 -3.561 3.902 -4.950
158 HD3 LYS 20 HD3 LYS 20 -4.058 5.080 -3.734
159 HE2 LYS 20 HE2 LYS 20 -4.751 6.132 -5.720
160 HE3 LYS 20 HE3 LYS 20 -3.136 6.834 -5.501
161 HZ1 LYS 20 HZ1 LYS 20 -2.206 5.120 -6.901
162 HZ2 LYS 20 HZ2 LYS 20 -3.453 5.906 -7.745
163 HZ3 LYS 20 HZ3 LYS 20 -3.720 4.372 -7.068
164 H ILE 21 H ILE 21 -1.224 1.506 -1.482
165 HA ILE 21 HA ILE 21 0.032 2.290 1.000
166 HB ILE 21 HB ILE 21 -1.125 -0.334 -0.003
167 HG12 ILE 21 HG12 ILE 21 -2.483 1.502 1.941
168 HG13 ILE 21 HG13 ILE 21 -2.503 1.932 0.231
169 HG21 ILE 21 HG21 ILE 21 0.237 -0.837 1.908
170 HG22 ILE 21 HG22 ILE 21 -1.427 -0.766 2.486
171 HG23 ILE 21 HG23 ILE 21 -0.336 0.590 2.771
172 HD11 ILE 21 HD11 ILE 21 -3.466 -0.683 1.428
173 HD12 ILE 21 HD12 ILE 21 -3.412 -0.324 -0.299
174 HD13 ILE 21 HD13 ILE 21 -4.481 0.595 0.760
175 H GLN 22 H GLN 22 0.924 0.105 -1.628
176 HA GLN 22 HA GLN 22 3.163 -1.177 -0.364
177 HB2 GLN 22 HB2 GLN 22 1.752 -1.464 -2.665
178 HB3 GLN 22 HB3 GLN 22 3.196 -0.669 -3.293
179 HG2 GLN 22 HG2 GLN 22 3.859 -2.894 -3.388
180 HG3 GLN 22 HG3 GLN 22 4.447 -2.450 -1.786
181 HE21 GLN 22 HE21 GLN 22 3.460 -3.463 0.046
182 HE22 GLN 22 HE22 GLN 22 2.230 -4.625 -0.091
183 H GLY 23 H GLY 23 2.830 1.905 -2.092
184 HA2 GLY 23 HA2 GLY 23 5.542 2.484 -2.631
185 HA3 GLY 23 HA3 GLY 23 4.320 3.709 -2.291
186 H LEU 24 H LEU 24 3.650 3.200 0.327
187 HA LEU 24 HA LEU 24 5.953 4.248 1.778
188 HB2 LEU 24 HB2 LEU 24 3.097 3.511 2.335
189 HB3 LEU 24 HB3 LEU 24 4.183 3.756 3.704
190 HG LEU 24 HG LEU 24 3.956 5.773 1.463
191 HD11 LEU 24 HD11 LEU 24 2.347 6.998 2.796
192 HD12 LEU 24 HD12 LEU 24 2.461 5.817 4.101
193 HD13 LEU 24 HD13 LEU 24 1.726 5.365 2.562
194 HD21 LEU 24 HD21 LEU 24 4.828 6.020 4.362
195 HD22 LEU 24 HD22 LEU 24 4.925 7.275 3.127
196 HD23 LEU 24 HD23 LEU 24 5.935 5.834 3.002
197 H LEU 25 H LEU 25 4.430 1.080 1.403
198 HA LEU 25 HA LEU 25 5.690 -0.249 3.628
199 HB2 LEU 25 HB2 LEU 25 4.354 -1.012 1.047
200 HB3 LEU 25 HB3 LEU 25 5.191 -2.258 1.970
201 HG LEU 25 HG LEU 25 3.165 -0.408 3.243
202 HD11 LEU 25 HD11 LEU 25 1.508 -2.198 2.951
203 HD12 LEU 25 HD12 LEU 25 2.687 -3.164 2.065
204 HD13 LEU 25 HD13 LEU 25 2.094 -1.652 1.380
205 HD21 LEU 25 HD21 LEU 25 4.423 -3.069 3.975
206 HD22 LEU 25 HD22 LEU 25 3.041 -2.386 4.833
207 HD23 LEU 25 HD23 LEU 25 4.586 -1.536 4.831
208 H GLN 26 H GLN 26 6.797 0.556 0.375
209 HA GLN 26 HA GLN 26 8.893 -1.278 -0.034
210 HB2 GLN 26 HB2 GLN 26 7.947 1.202 -1.064
211 HB3 GLN 26 HB3 GLN 26 9.681 1.386 -0.807
212 HG2 GLN 26 HG2 GLN 26 10.125 0.116 -2.610
213 HG3 GLN 26 HG3 GLN 26 9.160 -1.206 -1.955
214 HE21 GLN 26 HE21 GLN 26 8.490 2.050 -3.414
215 HE22 GLN 26 HE22 GLN 26 7.225 1.497 -4.400
216 H GLN 27 H GLN 27 8.893 1.678 1.966
217 HA GLN 27 HA GLN 27 11.734 1.377 2.670
218 HB2 GLN 27 HB2 GLN 27 9.482 3.227 3.492
219 HB3 GLN 27 HB3 GLN 27 11.115 3.363 4.146
220 HG2 GLN 27 HG2 GLN 27 11.939 3.482 1.737
221 HG3 GLN 27 HG3 GLN 27 10.250 3.668 1.262
222 HE21 GLN 27 HE21 GLN 27 9.174 5.687 1.790
223 HE22 GLN 27 HE22 GLN 27 10.031 7.031 2.374
224 H ALA 28 H ALA 28 8.587 0.777 4.179
225 HA ALA 28 HA ALA 28 9.656 0.133 6.806
226 HB1 ALA 28 HB1 ALA 28 7.030 -0.102 5.358
227 HB2 ALA 28 HB2 ALA 28 7.432 0.874 6.772
228 HB3 ALA 28 HB3 ALA 28 7.232 -0.871 6.933
229 H SER 29 H SER 29 8.855 -1.745 3.918
230 HA SER 29 HA SER 29 8.905 -4.359 5.091
231 HB2 SER 29 HB2 SER 29 9.157 -5.080 2.760
232 HB3 SER 29 HB3 SER 29 8.023 -3.737 2.842
233 HG SER 29 HG SER 29 10.418 -3.920 1.580
234 H LYS 30 H LYS 30 11.511 -2.433 3.556
235 HA LYS 30 HA LYS 30 13.568 -4.432 3.889
236 HB2 LYS 30 HB2 LYS 30 13.424 -1.478 3.328
237 HB3 LYS 30 HB3 LYS 30 14.991 -2.244 3.595
238 HG2 LYS 30 HG2 LYS 30 14.608 -3.801 1.777
239 HG3 LYS 30 HG3 LYS 30 12.955 -3.222 1.574
240 HD2 LYS 30 HD2 LYS 30 14.022 -0.900 1.174
241 HD3 LYS 30 HD3 LYS 30 15.534 -1.782 0.955
242 HE2 LYS 30 HE2 LYS 30 14.743 -1.746 -1.244
243 HE3 LYS 30 HE3 LYS 30 14.023 -3.265 -0.679
244 HZ1 LYS 30 HZ1 LYS 30 12.756 -0.588 -0.835
245 HZ2 LYS 30 HZ2 LYS 30 12.104 -1.836 0.117
246 HZ3 LYS 30 HZ3 LYS 30 12.243 -2.031 -1.565
247 H GLN 31 H GLN 31 12.300 -1.898 6.013
248 HA GLN 31 HA GLN 31 14.471 -1.748 7.871
249 HB2 GLN 31 HB2 GLN 31 11.769 -0.826 7.570
250 HB3 GLN 31 HB3 GLN 31 11.953 -1.468 9.202
251 HG2 GLN 31 HG2 GLN 31 14.068 0.349 8.073
252 HG3 GLN 31 HG3 GLN 31 12.582 1.037 8.728
253 HE21 GLN 31 HE21 GLN 31 12.296 1.009 11.031
254 HE22 GLN 31 HE22 GLN 31 13.478 0.423 12.098
255 H ALA 32 H ALA 32 11.609 -3.903 7.777
256 HA ALA 32 HA ALA 32 12.595 -5.391 10.150
257 HB1 ALA 32 HB1 ALA 32 10.166 -4.620 9.542
258 HB2 ALA 32 HB2 ALA 32 10.402 -6.221 10.244
259 HB3 ALA 32 HB3 ALA 32 10.162 -6.047 8.505
260 H GLN 33 H GLN 33 12.605 -5.690 6.663
261 HA GLN 33 HA GLN 33 13.105 -8.621 6.783
262 HB2 GLN 33 HB2 GLN 33 11.529 -7.559 5.157
263 HB3 GLN 33 HB3 GLN 33 12.894 -6.699 4.446
264 HG2 GLN 33 HG2 GLN 33 13.937 -9.118 4.268
265 HG3 GLN 33 HG3 GLN 33 12.251 -9.629 4.364
266 HE21 GLN 33 HE21 GLN 33 11.795 -10.165 2.188
267 HE22 GLN 33 HE22 GLN 33 11.989 -9.089 0.889
268 H ASP 34 H ASP 34 14.808 -5.596 5.981
269 HA ASP 34 HA ASP 34 17.260 -7.144 5.294
270 HB2 ASP 34 HB2 ASP 34 16.048 -5.061 4.075
271 HB3 ASP 34 HB3 ASP 34 17.128 -4.169 5.145
272 H ILE 35 H ILE 35 16.825 -7.407 7.962
273 HA ILE 35 HA ILE 35 18.253 -5.239 9.414
274 HB ILE 35 HB ILE 35 17.088 -7.861 10.415
275 HG12 ILE 35 HG12 ILE 35 15.754 -5.138 10.425
276 HG13 ILE 35 HG13 ILE 35 15.438 -6.355 9.188
277 HG21 ILE 35 HG21 ILE 35 16.830 -6.072 12.438
278 HG22 ILE 35 HG22 ILE 35 18.288 -5.448 11.668
279 HG23 ILE 35 HG23 ILE 35 18.240 -7.113 12.248
280 HD11 ILE 35 HD11 ILE 35 13.847 -6.300 11.220
281 HD12 ILE 35 HD12 ILE 35 15.187 -7.002 12.126
282 HD13 ILE 35 HD13 ILE 35 14.503 -7.868 10.749
283 H GLN 36 H GLN 36 19.489 -7.370 7.440
284 HA GLN 36 HA GLN 36 21.834 -7.960 9.173
285 HB2 GLN 36 HB2 GLN 36 21.772 -10.336 8.315
286 HB3 GLN 36 HB3 GLN 36 20.418 -9.922 9.363
287 HG2 GLN 36 HG2 GLN 36 19.834 -9.299 6.573
288 HG3 GLN 36 HG3 GLN 36 20.246 -11.000 6.785
289 HE21 GLN 36 HE21 GLN 36 18.772 -12.340 7.991
290 HE22 GLN 36 HE22 GLN 36 17.269 -11.775 8.543
291 HA PRO 37 HA PRO 37 22.787 -6.635 4.786
292 HB2 PRO 37 HB2 PRO 37 24.253 -4.415 5.432
293 HB3 PRO 37 HB3 PRO 37 22.495 -4.377 5.192
294 HG2 PRO 37 HG2 PRO 37 24.059 -4.416 7.720
295 HG3 PRO 37 HG3 PRO 37 22.565 -3.553 7.329
296 HD2 PRO 37 HD2 PRO 37 22.655 -5.857 8.800
297 HD3 PRO 37 HD3 PRO 37 21.246 -5.339 7.851
298 H ALA 38 H ALA 38 24.651 -7.436 3.855
299 HA ALA 38 HA ALA 38 26.904 -8.199 5.667
300 HB1 ALA 38 HB1 ALA 38 25.726 -9.952 4.380
301 HB2 ALA 38 HB2 ALA 38 27.404 -9.808 3.856
302 HB3 ALA 38 HB3 ALA 38 26.112 -9.108 2.880
303 H MET 39 H MET 39 26.381 -5.469 4.211
304 HA MET 39 HA MET 39 28.612 -5.279 2.307
305 HB2 MET 39 HB2 MET 39 26.282 -3.769 3.149
306 HB3 MET 39 HB3 MET 39 27.700 -2.722 3.090
307 HG2 MET 39 HG2 MET 39 27.002 -4.607 0.832
308 HG3 MET 39 HG3 MET 39 26.376 -2.960 0.909
309 HE1 MET 39 HE1 MET 39 28.278 -1.012 1.802
310 HE2 MET 39 HE2 MET 39 27.497 -0.961 0.224
311 HE3 MET 39 HE3 MET 39 29.225 -0.646 0.354
312 H GLN 40 H GLN 40 27.959 -4.295 5.671
313 HA GLN 40 HA GLN 40 30.724 -3.201 5.909
314 HB2 GLN 40 HB2 GLN 40 28.622 -1.955 6.622
315 HB3 GLN 40 HB3 GLN 40 28.428 -3.165 7.889
316 HG2 GLN 40 HG2 GLN 40 31.077 -1.790 7.622
317 HG3 GLN 40 HG3 GLN 40 29.743 -0.909 8.366
318 HE21 GLN 40 HE21 GLN 40 28.428 -2.736 9.915
319 HE22 GLN 40 HE22 GLN 40 29.473 -3.468 11.034
Start of MODEL 26
1 HA ALA 1 HA ALA 1 -22.634 1.564 7.915
2 HB1 ALA 1 HB1 ALA 1 -21.226 -0.341 8.382
3 HB2 ALA 1 HB2 ALA 1 -22.529 -1.160 9.243
4 HB3 ALA 1 HB3 ALA 1 -21.781 0.279 9.937
5 H SER 2 H SER 2 -22.792 0.919 5.776
6 HA SER 2 HA SER 2 -24.751 -1.262 5.124
7 HB2 SER 2 HB2 SER 2 -25.008 0.215 2.986
8 HB3 SER 2 HB3 SER 2 -25.770 0.765 4.474
9 HG SER 2 HG SER 2 -24.640 2.490 3.733
10 H ARG 3 H ARG 3 -23.601 -2.979 4.341
11 HA ARG 3 HA ARG 3 -20.917 -2.743 3.253
12 HB2 ARG 3 HB2 ARG 3 -22.958 -4.854 3.777
13 HB3 ARG 3 HB3 ARG 3 -21.689 -5.241 2.614
14 HG2 ARG 3 HG2 ARG 3 -19.969 -4.925 4.203
15 HG3 ARG 3 HG3 ARG 3 -21.028 -4.038 5.301
16 HD2 ARG 3 HD2 ARG 3 -22.403 -6.234 5.447
17 HD3 ARG 3 HD3 ARG 3 -20.964 -7.009 4.753
18 HE ARG 3 HE ARG 3 -19.661 -6.076 6.670
19 HH11 ARG 3 HH11 ARG 3 -21.551 -8.011 7.881
20 HH12 ARG 3 HH12 ARG 3 -22.299 -7.084 9.138
21 HH21 ARG 3 HH21 ARG 3 -21.291 -4.022 7.835
22 HH22 ARG 3 HH22 ARG 3 -22.151 -4.815 9.113
23 H ALA 4 H ALA 4 -24.126 -2.650 1.845
24 HA ALA 4 HA ALA 4 -23.667 -3.537 -0.798
25 HB1 ALA 4 HB1 ALA 4 -25.585 -2.077 -1.323
26 HB2 ALA 4 HB2 ALA 4 -25.342 -1.200 0.187
27 HB3 ALA 4 HB3 ALA 4 -25.844 -2.890 0.220
28 H ALA 5 H ALA 5 -23.295 -0.200 0.489
29 HA ALA 5 HA ALA 5 -22.169 0.857 -1.975
30 HB1 ALA 5 HB1 ALA 5 -21.835 1.995 0.806
31 HB2 ALA 5 HB2 ALA 5 -23.401 2.020 -0.005
32 HB3 ALA 5 HB3 ALA 5 -22.027 2.864 -0.717
33 H LEU 6 H LEU 6 -20.813 -0.399 1.067
34 HA LEU 6 HA LEU 6 -18.098 0.341 0.777
35 HB2 LEU 6 HB2 LEU 6 -19.350 -0.785 2.707
36 HB3 LEU 6 HB3 LEU 6 -19.129 -2.304 1.838
37 HG LEU 6 HG LEU 6 -16.663 -0.717 2.076
38 HD11 LEU 6 HD11 LEU 6 -17.938 -1.890 4.567
39 HD12 LEU 6 HD12 LEU 6 -17.739 -0.167 4.245
40 HD13 LEU 6 HD13 LEU 6 -16.321 -1.194 4.459
41 HD21 LEU 6 HD21 LEU 6 -17.046 -3.485 3.154
42 HD22 LEU 6 HD22 LEU 6 -15.699 -2.820 2.229
43 HD23 LEU 6 HD23 LEU 6 -17.204 -3.245 1.413
44 H ILE 7 H ILE 7 -19.881 -2.383 -0.674
45 HA ILE 7 HA ILE 7 -17.466 -3.534 -1.895
46 HB ILE 7 HB ILE 7 -20.444 -4.075 -2.192
47 HG12 ILE 7 HG12 ILE 7 -19.587 -4.514 0.072
48 HG13 ILE 7 HG13 ILE 7 -19.938 -6.035 -0.747
49 HG21 ILE 7 HG21 ILE 7 -19.505 -4.997 -4.140
50 HG22 ILE 7 HG22 ILE 7 -19.475 -6.352 -3.012
51 HG23 ILE 7 HG23 ILE 7 -18.003 -5.433 -3.325
52 HD11 ILE 7 HD11 ILE 7 -17.457 -6.030 -1.445
53 HD12 ILE 7 HD12 ILE 7 -17.810 -6.370 0.249
54 HD13 ILE 7 HD13 ILE 7 -17.244 -4.770 -0.229
55 H GLU 8 H GLU 8 -20.368 -1.762 -3.038
56 HA GLU 8 HA GLU 8 -19.779 -1.736 -5.819
57 HB2 GLU 8 HB2 GLU 8 -21.878 -1.025 -4.527
58 HB3 GLU 8 HB3 GLU 8 -21.057 0.506 -4.226
59 HG2 GLU 8 HG2 GLU 8 -22.352 0.882 -6.184
60 HG3 GLU 8 HG3 GLU 8 -20.708 0.633 -6.769
61 H GLU 9 H GLU 9 -19.059 0.818 -3.391
62 HA GLU 9 HA GLU 9 -17.338 2.292 -5.243
63 HB2 GLU 9 HB2 GLU 9 -18.008 2.448 -2.292
64 HB3 GLU 9 HB3 GLU 9 -16.895 3.576 -3.066
65 HG2 GLU 9 HG2 GLU 9 -18.619 4.779 -3.862
66 HG3 GLU 9 HG3 GLU 9 -19.258 3.357 -4.684
67 H GLY 10 H GLY 10 -16.874 -0.014 -2.581
68 HA2 GLY 10 HA2 GLY 10 -14.070 0.313 -2.217
69 HA3 GLY 10 HA3 GLY 10 -14.969 -1.155 -1.841
70 H GLN 11 H GLN 11 -15.890 -1.455 -4.682
71 HA GLN 11 HA GLN 11 -13.905 -3.206 -5.675
72 HB2 GLN 11 HB2 GLN 11 -16.332 -2.999 -6.336
73 HB3 GLN 11 HB3 GLN 11 -15.898 -1.571 -7.277
74 HG2 GLN 11 HG2 GLN 11 -15.824 -3.315 -8.863
75 HG3 GLN 11 HG3 GLN 11 -14.134 -3.107 -8.402
76 HE21 GLN 11 HE21 GLN 11 -13.083 -4.877 -7.368
77 HE22 GLN 11 HE22 GLN 11 -13.862 -6.336 -6.995
78 H ARG 12 H ARG 12 -14.426 0.252 -6.432
79 HA ARG 12 HA ARG 12 -12.211 0.372 -8.337
80 HB2 ARG 12 HB2 ARG 12 -14.397 2.004 -7.375
81 HB3 ARG 12 HB3 ARG 12 -12.909 2.949 -7.375
82 HG2 ARG 12 HG2 ARG 12 -12.735 2.922 -9.649
83 HG3 ARG 12 HG3 ARG 12 -13.325 1.265 -9.775
84 HD2 ARG 12 HD2 ARG 12 -15.633 2.322 -9.055
85 HD3 ARG 12 HD3 ARG 12 -14.901 3.825 -9.655
86 HE ARG 12 HE ARG 12 -15.405 1.385 -11.287
87 HH11 ARG 12 HH11 ARG 12 -12.905 2.526 -12.269
88 HH12 ARG 12 HH12 ARG 12 -13.420 3.742 -13.389
89 HH21 ARG 12 HH21 ARG 12 -16.672 3.860 -12.165
90 HH22 ARG 12 HH22 ARG 12 -15.563 4.501 -13.329
91 H ILE 13 H ILE 13 -12.689 1.278 -4.916
92 HA ILE 13 HA ILE 13 -10.090 2.510 -4.568
93 HB ILE 13 HB ILE 13 -12.081 1.271 -2.632
94 HG12 ILE 13 HG12 ILE 13 -11.578 4.166 -3.408
95 HG13 ILE 13 HG13 ILE 13 -12.916 3.187 -4.008
96 HG21 ILE 13 HG21 ILE 13 -10.141 1.404 -1.340
97 HG22 ILE 13 HG22 ILE 13 -10.836 3.003 -1.081
98 HG23 ILE 13 HG23 ILE 13 -9.518 2.792 -2.233
99 HD11 ILE 13 HD11 ILE 13 -13.434 2.781 -1.481
100 HD12 ILE 13 HD12 ILE 13 -13.890 4.324 -2.202
101 HD13 ILE 13 HD13 ILE 13 -12.432 4.208 -1.217
102 H ALA 14 H ALA 14 -11.327 -0.803 -4.162
103 HA ALA 14 HA ALA 14 -9.157 -1.990 -2.775
104 HB1 ALA 14 HB1 ALA 14 -11.078 -2.994 -4.893
105 HB2 ALA 14 HB2 ALA 14 -11.230 -3.156 -3.143
106 HB3 ALA 14 HB3 ALA 14 -9.990 -4.063 -4.008
107 H GLU 15 H GLU 15 -9.610 -1.510 -6.299
108 HA GLU 15 HA GLU 15 -7.221 -2.817 -7.171
109 HB2 GLU 15 HB2 GLU 15 -9.187 -2.075 -8.551
110 HB3 GLU 15 HB3 GLU 15 -8.646 -0.407 -8.352
111 HG2 GLU 15 HG2 GLU 15 -6.376 -1.857 -9.203
112 HG3 GLU 15 HG3 GLU 15 -7.709 -2.405 -10.221
113 H MET 16 H MET 16 -7.845 0.564 -6.198
114 HA MET 16 HA MET 16 -5.141 1.496 -6.722
115 HB2 MET 16 HB2 MET 16 -7.693 2.521 -5.955
116 HB3 MET 16 HB3 MET 16 -6.533 3.040 -4.733
117 HG2 MET 16 HG2 MET 16 -5.060 3.935 -6.493
118 HG3 MET 16 HG3 MET 16 -6.205 3.403 -7.726
119 HE1 MET 16 HE1 MET 16 -8.355 5.123 -8.500
120 HE2 MET 16 HE2 MET 16 -9.369 5.286 -7.068
121 HE3 MET 16 HE3 MET 16 -8.613 3.737 -7.431
122 H LEU 17 H LEU 17 -6.868 0.255 -3.860
123 HA LEU 17 HA LEU 17 -4.831 0.826 -1.921
124 HB2 LEU 17 HB2 LEU 17 -7.400 -0.274 -2.012
125 HB3 LEU 17 HB3 LEU 17 -6.386 -1.591 -1.422
126 HG LEU 17 HG LEU 17 -5.365 0.321 0.108
127 HD11 LEU 17 HD11 LEU 17 -7.442 1.753 0.809
128 HD12 LEU 17 HD12 LEU 17 -8.032 1.376 -0.810
129 HD13 LEU 17 HD13 LEU 17 -6.508 2.241 -0.606
130 HD21 LEU 17 HD21 LEU 17 -8.112 -0.780 0.747
131 HD22 LEU 17 HD22 LEU 17 -6.807 -0.418 1.875
132 HD23 LEU 17 HD23 LEU 17 -6.659 -1.780 0.764
133 H LYS 18 H LYS 18 -5.248 -1.810 -4.222
134 HA LYS 18 HA LYS 18 -3.469 -3.742 -3.118
135 HB2 LYS 18 HB2 LYS 18 -5.023 -3.410 -5.394
136 HB3 LYS 18 HB3 LYS 18 -3.384 -3.413 -6.045
137 HG2 LYS 18 HG2 LYS 18 -3.370 -5.477 -4.159
138 HG3 LYS 18 HG3 LYS 18 -4.939 -5.624 -4.950
139 HD2 LYS 18 HD2 LYS 18 -3.958 -6.529 -6.758
140 HD3 LYS 18 HD3 LYS 18 -2.979 -5.077 -6.964
141 HE2 LYS 18 HE2 LYS 18 -2.215 -7.185 -4.932
142 HE3 LYS 18 HE3 LYS 18 -1.704 -7.307 -6.626
143 HZ1 LYS 18 HZ1 LYS 18 -0.060 -6.068 -5.404
144 HZ2 LYS 18 HZ2 LYS 18 -1.238 -5.005 -4.798
145 HZ3 LYS 18 HZ3 LYS 18 -0.862 -5.008 -6.455
146 H SER 19 H SER 19 -2.836 -0.988 -5.311
147 HA SER 19 HA SER 19 0.042 -1.432 -5.432
148 HB2 SER 19 HB2 SER 19 -1.968 0.599 -6.297
149 HB3 SER 19 HB3 SER 19 -0.298 1.145 -6.168
150 HG SER 19 HG SER 19 0.240 -0.108 -7.798
151 H LYS 20 H LYS 20 -2.157 0.502 -3.428
152 HA LYS 20 HA LYS 20 -0.239 2.144 -2.086
153 HB2 LYS 20 HB2 LYS 20 -2.823 2.193 -2.145
154 HB3 LYS 20 HB3 LYS 20 -2.754 0.966 -0.881
155 HG2 LYS 20 HG2 LYS 20 -1.109 2.650 0.286
156 HG3 LYS 20 HG3 LYS 20 -1.868 3.835 -0.777
157 HD2 LYS 20 HD2 LYS 20 -3.865 3.746 0.326
158 HD3 LYS 20 HD3 LYS 20 -3.733 2.014 0.637
159 HE2 LYS 20 HE2 LYS 20 -2.008 2.504 2.393
160 HE3 LYS 20 HE3 LYS 20 -2.303 4.235 2.141
161 HZ1 LYS 20 HZ1 LYS 20 -4.686 3.804 2.545
162 HZ2 LYS 20 HZ2 LYS 20 -3.724 3.450 3.900
163 HZ3 LYS 20 HZ3 LYS 20 -4.317 2.192 2.926
164 H ILE 21 H ILE 21 -1.445 -1.146 -1.403
165 HA ILE 21 HA ILE 21 -0.049 -1.498 1.099
166 HB ILE 21 HB ILE 21 -1.160 -3.396 -0.994
167 HG12 ILE 21 HG12 ILE 21 -2.270 -2.890 1.760
168 HG13 ILE 21 HG13 ILE 21 -2.621 -1.762 0.451
169 HG21 ILE 21 HG21 ILE 21 0.127 -3.919 1.681
170 HG22 ILE 21 HG22 ILE 21 0.369 -4.766 0.154
171 HG23 ILE 21 HG23 ILE 21 -1.123 -5.000 1.066
172 HD11 ILE 21 HD11 ILE 21 -3.710 -3.424 -0.841
173 HD12 ILE 21 HD12 ILE 21 -4.289 -3.695 0.802
174 HD13 ILE 21 HD13 ILE 21 -3.035 -4.736 0.126
175 H GLN 22 H GLN 22 0.808 -2.082 -2.285
176 HA GLN 22 HA GLN 22 3.208 -3.592 -1.874
177 HB2 GLN 22 HB2 GLN 22 1.804 -3.056 -4.005
178 HB3 GLN 22 HB3 GLN 22 2.773 -1.585 -4.091
179 HG2 GLN 22 HG2 GLN 22 4.835 -3.067 -3.947
180 HG3 GLN 22 HG3 GLN 22 3.760 -4.447 -4.176
181 HE21 GLN 22 HE21 GLN 22 2.618 -4.613 -6.273
182 HE22 GLN 22 HE22 GLN 22 3.177 -3.757 -7.628
183 H GLY 23 H GLY 23 2.731 -0.064 -2.353
184 HA2 GLY 23 HA2 GLY 23 5.478 0.662 -1.986
185 HA3 GLY 23 HA3 GLY 23 4.107 1.753 -1.777
186 H LEU 24 H LEU 24 2.753 0.373 0.294
187 HA LEU 24 HA LEU 24 4.014 1.353 2.645
188 HB2 LEU 24 HB2 LEU 24 1.582 0.711 2.201
189 HB3 LEU 24 HB3 LEU 24 2.069 -0.967 2.444
190 HG LEU 24 HG LEU 24 3.072 -0.145 4.685
191 HD11 LEU 24 HD11 LEU 24 3.024 2.194 4.539
192 HD12 LEU 24 HD12 LEU 24 1.594 1.851 5.513
193 HD13 LEU 24 HD13 LEU 24 1.425 2.212 3.795
194 HD21 LEU 24 HD21 LEU 24 1.004 -1.537 4.418
195 HD22 LEU 24 HD22 LEU 24 0.059 -0.050 4.328
196 HD23 LEU 24 HD23 LEU 24 0.929 -0.453 5.808
197 H LEU 25 H LEU 25 3.941 -1.969 1.297
198 HA LEU 25 HA LEU 25 5.427 -3.271 3.356
199 HB2 LEU 25 HB2 LEU 25 4.106 -4.096 1.221
200 HB3 LEU 25 HB3 LEU 25 5.685 -3.976 0.442
201 HG LEU 25 HG LEU 25 6.607 -5.384 2.350
202 HD11 LEU 25 HD11 LEU 25 4.822 -6.797 3.487
203 HD12 LEU 25 HD12 LEU 25 3.635 -5.640 2.883
204 HD13 LEU 25 HD13 LEU 25 4.888 -5.113 4.006
205 HD21 LEU 25 HD21 LEU 25 6.452 -6.943 0.729
206 HD22 LEU 25 HD22 LEU 25 5.038 -6.143 0.043
207 HD23 LEU 25 HD23 LEU 25 4.840 -7.343 1.320
208 H GLN 26 H GLN 26 6.499 -1.564 0.409
209 HA GLN 26 HA GLN 26 9.303 -2.141 0.633
210 HB2 GLN 26 HB2 GLN 26 7.609 -0.896 -1.140
211 HB3 GLN 26 HB3 GLN 26 8.480 0.482 -0.468
212 HG2 GLN 26 HG2 GLN 26 10.085 -0.027 -1.990
213 HG3 GLN 26 HG3 GLN 26 10.512 -1.333 -0.886
214 HE21 GLN 26 HE21 GLN 26 8.349 -0.641 -3.690
215 HE22 GLN 26 HE22 GLN 26 8.367 -2.232 -4.282
216 H GLN 27 H GLN 27 7.306 0.566 1.852
217 HA GLN 27 HA GLN 27 9.426 2.102 3.024
218 HB2 GLN 27 HB2 GLN 27 6.458 1.801 3.520
219 HB3 GLN 27 HB3 GLN 27 7.433 2.965 4.417
220 HG2 GLN 27 HG2 GLN 27 7.961 4.202 2.475
221 HG3 GLN 27 HG3 GLN 27 7.494 2.882 1.402
222 HE21 GLN 27 HE21 GLN 27 6.258 5.568 3.326
223 HE22 GLN 27 HE22 GLN 27 4.655 5.459 2.780
224 H ALA 28 H ALA 28 7.419 -0.532 4.282
225 HA ALA 28 HA ALA 28 8.230 -0.448 7.017
226 HB1 ALA 28 HB1 ALA 28 7.502 -2.851 5.313
227 HB2 ALA 28 HB2 ALA 28 6.322 -1.725 5.983
228 HB3 ALA 28 HB3 ALA 28 7.314 -2.707 7.061
229 H SER 29 H SER 29 9.667 -2.006 4.181
230 HA SER 29 HA SER 29 11.756 -3.395 5.669
231 HB2 SER 29 HB2 SER 29 11.135 -2.769 2.785
232 HB3 SER 29 HB3 SER 29 12.666 -3.522 3.222
233 HG SER 29 HG SER 29 10.052 -4.502 3.384
234 H LYS 30 H LYS 30 11.470 -0.281 3.976
235 HA LYS 30 HA LYS 30 14.174 0.504 3.809
236 HB2 LYS 30 HB2 LYS 30 11.537 1.902 4.193
237 HB3 LYS 30 HB3 LYS 30 13.026 2.847 4.216
238 HG2 LYS 30 HG2 LYS 30 13.640 1.995 2.006
239 HG3 LYS 30 HG3 LYS 30 12.207 0.967 1.981
240 HD2 LYS 30 HD2 LYS 30 10.845 2.682 1.396
241 HD3 LYS 30 HD3 LYS 30 11.600 3.788 2.545
242 HE2 LYS 30 HE2 LYS 30 13.243 3.029 0.169
243 HE3 LYS 30 HE3 LYS 30 11.868 4.113 -0.120
244 HZ1 LYS 30 HZ1 LYS 30 14.043 5.192 0.602
245 HZ2 LYS 30 HZ2 LYS 30 13.739 4.535 2.140
246 HZ3 LYS 30 HZ3 LYS 30 12.645 5.641 1.453
247 H GLN 31 H GLN 31 11.906 1.288 6.496
248 HA GLN 31 HA GLN 31 13.929 2.369 8.225
249 HB2 GLN 31 HB2 GLN 31 12.148 2.222 9.917
250 HB3 GLN 31 HB3 GLN 31 11.486 2.790 8.386
251 HG2 GLN 31 HG2 GLN 31 10.952 0.296 7.922
252 HG3 GLN 31 HG3 GLN 31 11.212 0.064 9.651
253 HE21 GLN 31 HE21 GLN 31 9.515 0.681 11.060
254 HE22 GLN 31 HE22 GLN 31 8.103 1.470 10.547
255 H ALA 32 H ALA 32 12.730 -0.935 7.740
256 HA ALA 32 HA ALA 32 13.894 -2.134 10.084
257 HB1 ALA 32 HB1 ALA 32 13.414 -3.375 7.359
258 HB2 ALA 32 HB2 ALA 32 12.124 -3.057 8.519
259 HB3 ALA 32 HB3 ALA 32 13.409 -4.197 8.919
260 H GLN 33 H GLN 33 15.174 -1.423 6.846
261 HA GLN 33 HA GLN 33 17.630 -2.939 7.150
262 HB2 GLN 33 HB2 GLN 33 16.245 -1.432 5.176
263 HB3 GLN 33 HB3 GLN 33 17.842 -0.702 5.336
264 HG2 GLN 33 HG2 GLN 33 17.964 -3.623 5.355
265 HG3 GLN 33 HG3 GLN 33 17.231 -2.998 3.878
266 HE21 GLN 33 HE21 GLN 33 20.017 -2.047 6.002
267 HE22 GLN 33 HE22 GLN 33 21.086 -1.783 4.708
268 H ASP 34 H ASP 34 16.578 0.201 8.272
269 HA ASP 34 HA ASP 34 19.342 1.167 8.707
270 HB2 ASP 34 HB2 ASP 34 17.552 2.660 7.886
271 HB3 ASP 34 HB3 ASP 34 16.606 2.334 9.337
272 H ILE 35 H ILE 35 16.581 1.363 10.969
273 HA ILE 35 HA ILE 35 16.494 0.996 13.299
274 HB ILE 35 HB ILE 35 18.208 -1.380 12.488
275 HG12 ILE 35 HG12 ILE 35 16.289 -1.172 10.970
276 HG13 ILE 35 HG13 ILE 35 16.038 -2.526 12.070
277 HG21 ILE 35 HG21 ILE 35 16.540 -0.670 14.861
278 HG22 ILE 35 HG22 ILE 35 18.028 -1.612 14.775
279 HG23 ILE 35 HG23 ILE 35 16.494 -2.345 14.310
280 HD11 ILE 35 HD11 ILE 35 13.969 -1.331 12.026
281 HD12 ILE 35 HD12 ILE 35 14.782 0.224 12.197
282 HD13 ILE 35 HD13 ILE 35 14.736 -0.902 13.555
283 H GLN 36 H GLN 36 18.548 2.825 12.540
284 HA GLN 36 HA GLN 36 20.481 2.390 14.764
285 HB2 GLN 36 HB2 GLN 36 22.336 2.994 13.165
286 HB3 GLN 36 HB3 GLN 36 21.556 1.458 12.787
287 HG2 GLN 36 HG2 GLN 36 20.313 2.414 10.992
288 HG3 GLN 36 HG3 GLN 36 20.689 4.057 11.506
289 HE21 GLN 36 HE21 GLN 36 22.819 4.910 10.990
290 HE22 GLN 36 HE22 GLN 36 23.863 4.110 9.917
291 HA PRO 37 HA PRO 37 19.973 6.731 15.287
292 HB2 PRO 37 HB2 PRO 37 22.435 7.501 16.201
293 HB3 PRO 37 HB3 PRO 37 21.288 6.570 17.185
294 HG2 PRO 37 HG2 PRO 37 23.688 5.643 15.695
295 HG3 PRO 37 HG3 PRO 37 23.060 5.118 17.264
296 HD2 PRO 37 HD2 PRO 37 22.720 3.717 14.939
297 HD3 PRO 37 HD3 PRO 37 21.618 3.617 16.329
298 H ALA 38 H ALA 38 19.701 7.550 13.166
299 HA ALA 38 HA ALA 38 21.886 7.831 11.269
300 HB1 ALA 38 HB1 ALA 38 19.611 7.558 10.519
301 HB2 ALA 38 HB2 ALA 38 20.107 9.190 10.067
302 HB3 ALA 38 HB3 ALA 38 19.073 8.942 11.473
303 H MET 39 H MET 39 20.882 9.729 13.984
304 HA MET 39 HA MET 39 21.797 12.315 12.960
305 HB2 MET 39 HB2 MET 39 20.021 11.782 14.753
306 HB3 MET 39 HB3 MET 39 21.377 11.474 15.838
307 HG2 MET 39 HG2 MET 39 21.868 13.946 14.478
308 HG3 MET 39 HG3 MET 39 20.231 13.990 15.131
309 HE1 MET 39 HE1 MET 39 24.091 14.613 17.241
310 HE2 MET 39 HE2 MET 39 23.328 15.411 15.868
311 HE3 MET 39 HE3 MET 39 23.955 13.774 15.690
312 H GLN 40 H GLN 40 23.072 9.886 15.270
313 HA GLN 40 HA GLN 40 25.830 10.847 14.690
314 HB2 GLN 40 HB2 GLN 40 26.251 10.940 17.167
315 HB3 GLN 40 HB3 GLN 40 25.091 12.143 16.612
316 HG2 GLN 40 HG2 GLN 40 23.443 11.265 17.884
317 HG3 GLN 40 HG3 GLN 40 23.782 9.631 17.317
318 HE21 GLN 40 HE21 GLN 40 24.775 12.065 19.747
319 HE22 GLN 40 HE22 GLN 40 25.493 10.948 20.803
Start of MODEL 27
1 HA ALA 1 HA ALA 1 -30.199 1.041 5.439
2 HB1 ALA 1 HB1 ALA 1 -27.838 2.572 6.558
3 HB2 ALA 1 HB2 ALA 1 -29.310 3.224 5.835
4 HB3 ALA 1 HB3 ALA 1 -28.113 2.415 4.822
5 H SER 2 H SER 2 -28.959 -0.070 3.768
6 HA SER 2 HA SER 2 -27.501 -2.414 4.755
7 HB2 SER 2 HB2 SER 2 -28.750 -1.419 2.279
8 HB3 SER 2 HB3 SER 2 -27.295 -2.370 1.999
9 HG SER 2 HG SER 2 -29.541 -3.403 2.324
10 H ARG 3 H ARG 3 -25.282 -2.806 4.530
11 HA ARG 3 HA ARG 3 -23.589 -0.439 3.875
12 HB2 ARG 3 HB2 ARG 3 -23.289 -2.992 5.449
13 HB3 ARG 3 HB3 ARG 3 -21.863 -2.065 4.978
14 HG2 ARG 3 HG2 ARG 3 -23.968 -0.365 6.085
15 HG3 ARG 3 HG3 ARG 3 -23.438 -1.600 7.228
16 HD2 ARG 3 HD2 ARG 3 -21.140 -0.452 5.876
17 HD3 ARG 3 HD3 ARG 3 -22.109 0.820 6.643
18 HE ARG 3 HE ARG 3 -22.012 -0.563 8.752
19 HH11 ARG 3 HH11 ARG 3 -20.803 -2.958 7.215
20 HH12 ARG 3 HH12 ARG 3 -19.163 -2.891 7.768
21 HH21 ARG 3 HH21 ARG 3 -19.447 0.334 9.037
22 HH22 ARG 3 HH22 ARG 3 -18.392 -1.021 8.805
23 H ALA 4 H ALA 4 -24.788 -3.026 2.175
24 HA ALA 4 HA ALA 4 -22.491 -4.180 0.904
25 HB1 ALA 4 HB1 ALA 4 -24.182 -4.897 -0.759
26 HB2 ALA 4 HB2 ALA 4 -25.330 -3.742 -0.082
27 HB3 ALA 4 HB3 ALA 4 -24.782 -5.110 0.886
28 H ALA 5 H ALA 5 -24.374 -1.246 0.222
29 HA ALA 5 HA ALA 5 -23.457 -0.619 -2.380
30 HB1 ALA 5 HB1 ALA 5 -24.308 1.529 -1.888
31 HB2 ALA 5 HB2 ALA 5 -23.833 1.426 -0.194
32 HB3 ALA 5 HB3 ALA 5 -25.201 0.482 -0.785
33 H LEU 6 H LEU 6 -21.892 -0.065 0.779
34 HA LEU 6 HA LEU 6 -19.731 1.581 -0.136
35 HB2 LEU 6 HB2 LEU 6 -20.623 0.257 2.244
36 HB3 LEU 6 HB3 LEU 6 -18.924 -0.148 2.010
37 HG LEU 6 HG LEU 6 -19.209 1.929 3.343
38 HD11 LEU 6 HD11 LEU 6 -18.031 2.345 0.576
39 HD12 LEU 6 HD12 LEU 6 -17.193 1.658 1.967
40 HD13 LEU 6 HD13 LEU 6 -17.693 3.349 1.986
41 HD21 LEU 6 HD21 LEU 6 -20.195 3.302 0.852
42 HD22 LEU 6 HD22 LEU 6 -20.321 3.825 2.532
43 HD23 LEU 6 HD23 LEU 6 -21.347 2.520 1.936
44 H ILE 7 H ILE 7 -20.104 -1.962 0.068
45 HA ILE 7 HA ILE 7 -17.398 -2.610 -0.729
46 HB ILE 7 HB ILE 7 -20.044 -4.101 -0.807
47 HG12 ILE 7 HG12 ILE 7 -17.954 -4.980 1.046
48 HG13 ILE 7 HG13 ILE 7 -18.437 -3.307 1.327
49 HG21 ILE 7 HG21 ILE 7 -18.731 -5.299 -2.351
50 HG22 ILE 7 HG22 ILE 7 -18.407 -6.128 -0.829
51 HG23 ILE 7 HG23 ILE 7 -17.237 -4.976 -1.473
52 HD11 ILE 7 HD11 ILE 7 -20.695 -3.898 1.701
53 HD12 ILE 7 HD12 ILE 7 -19.783 -5.154 2.538
54 HD13 ILE 7 HD13 ILE 7 -20.493 -5.484 0.957
55 H GLU 8 H GLU 8 -20.421 -2.014 -2.509
56 HA GLU 8 HA GLU 8 -19.598 -2.936 -5.088
57 HB2 GLU 8 HB2 GLU 8 -21.905 -2.228 -4.202
58 HB3 GLU 8 HB3 GLU 8 -21.393 -0.566 -4.499
59 HG2 GLU 8 HG2 GLU 8 -21.135 -0.967 -6.848
60 HG3 GLU 8 HG3 GLU 8 -21.292 -2.710 -6.634
61 H GLU 9 H GLU 9 -19.173 0.218 -3.459
62 HA GLU 9 HA GLU 9 -17.864 1.442 -5.785
63 HB2 GLU 9 HB2 GLU 9 -19.070 2.234 -3.343
64 HB3 GLU 9 HB3 GLU 9 -17.392 2.772 -3.262
65 HG2 GLU 9 HG2 GLU 9 -17.631 3.874 -5.455
66 HG3 GLU 9 HG3 GLU 9 -19.307 3.333 -5.548
67 H GLY 10 H GLY 10 -16.853 -0.506 -3.076
68 HA2 GLY 10 HA2 GLY 10 -14.128 0.414 -2.907
69 HA3 GLY 10 HA3 GLY 10 -14.739 -1.107 -2.266
70 H GLN 11 H GLN 11 -15.732 -1.572 -5.256
71 HA GLN 11 HA GLN 11 -13.687 -3.375 -6.017
72 HB2 GLN 11 HB2 GLN 11 -14.883 -3.482 -8.126
73 HB3 GLN 11 HB3 GLN 11 -16.062 -3.273 -6.834
74 HG2 GLN 11 HG2 GLN 11 -16.179 -0.859 -7.316
75 HG3 GLN 11 HG3 GLN 11 -14.975 -1.049 -8.589
76 HE21 GLN 11 HE21 GLN 11 -18.342 -1.773 -7.711
77 HE22 GLN 11 HE22 GLN 11 -18.832 -2.215 -9.276
78 H ARG 12 H ARG 12 -14.087 0.065 -6.918
79 HA ARG 12 HA ARG 12 -11.708 0.002 -8.662
80 HB2 ARG 12 HB2 ARG 12 -14.031 1.540 -8.406
81 HB3 ARG 12 HB3 ARG 12 -12.743 2.619 -7.867
82 HG2 ARG 12 HG2 ARG 12 -11.556 2.395 -9.922
83 HG3 ARG 12 HG3 ARG 12 -12.530 1.012 -10.419
84 HD2 ARG 12 HD2 ARG 12 -13.550 2.714 -11.655
85 HD3 ARG 12 HD3 ARG 12 -14.523 2.780 -10.173
86 HE ARG 12 HE ARG 12 -12.233 4.607 -10.780
87 HH11 ARG 12 HH11 ARG 12 -15.184 5.436 -10.649
88 HH12 ARG 12 HH12 ARG 12 -15.247 6.172 -9.082
89 HH21 ARG 12 HH21 ARG 12 -12.226 4.815 -8.033
90 HH22 ARG 12 HH22 ARG 12 -13.568 5.816 -7.595
91 H ILE 13 H ILE 13 -12.588 1.133 -5.407
92 HA ILE 13 HA ILE 13 -10.123 2.543 -4.860
93 HB ILE 13 HB ILE 13 -12.211 1.247 -3.071
94 HG12 ILE 13 HG12 ILE 13 -13.120 2.984 -4.568
95 HG13 ILE 13 HG13 ILE 13 -13.100 3.555 -2.902
96 HG21 ILE 13 HG21 ILE 13 -10.495 1.610 -1.560
97 HG22 ILE 13 HG22 ILE 13 -11.256 3.200 -1.536
98 HG23 ILE 13 HG23 ILE 13 -9.804 2.933 -2.500
99 HD11 ILE 13 HD11 ILE 13 -10.868 4.649 -3.407
100 HD12 ILE 13 HD12 ILE 13 -12.245 5.345 -4.262
101 HD13 ILE 13 HD13 ILE 13 -11.143 4.257 -5.105
102 H ALA 14 H ALA 14 -11.183 -0.824 -4.380
103 HA ALA 14 HA ALA 14 -9.080 -1.773 -2.731
104 HB1 ALA 14 HB1 ALA 14 -9.646 -3.959 -4.029
105 HB2 ALA 14 HB2 ALA 14 -10.834 -2.970 -4.877
106 HB3 ALA 14 HB3 ALA 14 -10.944 -3.174 -3.128
107 H GLU 15 H GLU 15 -9.245 -1.615 -6.313
108 HA GLU 15 HA GLU 15 -6.644 -2.743 -6.801
109 HB2 GLU 15 HB2 GLU 15 -8.623 -2.423 -8.380
110 HB3 GLU 15 HB3 GLU 15 -8.157 -0.724 -8.483
111 HG2 GLU 15 HG2 GLU 15 -5.765 -2.091 -8.905
112 HG3 GLU 15 HG3 GLU 15 -6.959 -3.052 -9.778
113 H MET 16 H MET 16 -7.762 0.645 -6.483
114 HA MET 16 HA MET 16 -5.195 1.866 -6.983
115 HB2 MET 16 HB2 MET 16 -7.549 2.866 -7.070
116 HB3 MET 16 HB3 MET 16 -7.483 2.940 -5.309
117 HG2 MET 16 HG2 MET 16 -5.109 4.095 -5.889
118 HG3 MET 16 HG3 MET 16 -6.016 4.557 -7.329
119 HE1 MET 16 HE1 MET 16 -5.315 5.251 -3.616
120 HE2 MET 16 HE2 MET 16 -6.527 3.973 -3.579
121 HE3 MET 16 HE3 MET 16 -6.923 5.571 -2.952
122 H LEU 17 H LEU 17 -6.827 0.734 -4.022
123 HA LEU 17 HA LEU 17 -4.819 1.822 -2.211
124 HB2 LEU 17 HB2 LEU 17 -7.337 1.112 -1.879
125 HB3 LEU 17 HB3 LEU 17 -6.644 -0.482 -1.578
126 HG LEU 17 HG LEU 17 -5.025 0.857 0.022
127 HD11 LEU 17 HD11 LEU 17 -5.899 3.077 -0.675
128 HD12 LEU 17 HD12 LEU 17 -6.125 2.795 1.050
129 HD13 LEU 17 HD13 LEU 17 -7.488 2.629 -0.056
130 HD21 LEU 17 HD21 LEU 17 -6.569 -0.868 0.792
131 HD22 LEU 17 HD22 LEU 17 -7.931 0.243 0.650
132 HD23 LEU 17 HD23 LEU 17 -6.686 0.524 1.867
133 H LYS 18 H LYS 18 -5.176 -1.141 -4.040
134 HA LYS 18 HA LYS 18 -3.481 -2.899 -2.571
135 HB2 LYS 18 HB2 LYS 18 -5.028 -3.315 -4.581
136 HB3 LYS 18 HB3 LYS 18 -3.706 -2.725 -5.587
137 HG2 LYS 18 HG2 LYS 18 -2.703 -4.736 -5.483
138 HG3 LYS 18 HG3 LYS 18 -2.649 -4.634 -3.722
139 HD2 LYS 18 HD2 LYS 18 -4.951 -5.513 -3.594
140 HD3 LYS 18 HD3 LYS 18 -5.015 -5.609 -5.355
141 HE2 LYS 18 HE2 LYS 18 -3.083 -7.191 -5.317
142 HE3 LYS 18 HE3 LYS 18 -3.120 -7.149 -3.543
143 HZ1 LYS 18 HZ1 LYS 18 -5.436 -7.864 -5.270
144 HZ2 LYS 18 HZ2 LYS 18 -5.397 -7.894 -3.571
145 HZ3 LYS 18 HZ3 LYS 18 -4.455 -8.989 -4.465
146 H SER 19 H SER 19 -2.663 -0.693 -5.291
147 HA SER 19 HA SER 19 0.162 -1.231 -5.276
148 HB2 SER 19 HB2 SER 19 0.216 0.910 -6.585
149 HB3 SER 19 HB3 SER 19 -1.016 -0.211 -7.157
150 HG SER 19 HG SER 19 -1.260 2.247 -5.907
151 H LYS 20 H LYS 20 -1.845 1.106 -3.497
152 HA LYS 20 HA LYS 20 0.267 2.715 -2.409
153 HB2 LYS 20 HB2 LYS 20 -2.366 2.926 -2.483
154 HB3 LYS 20 HB3 LYS 20 -2.280 2.083 -0.935
155 HG2 LYS 20 HG2 LYS 20 -1.237 3.847 0.128
156 HG3 LYS 20 HG3 LYS 20 -0.446 4.406 -1.347
157 HD2 LYS 20 HD2 LYS 20 -2.920 4.915 -2.120
158 HD3 LYS 20 HD3 LYS 20 -3.244 4.918 -0.387
159 HE2 LYS 20 HE2 LYS 20 -2.686 7.169 -0.754
160 HE3 LYS 20 HE3 LYS 20 -1.105 6.496 -0.314
161 HZ1 LYS 20 HZ1 LYS 20 -0.649 6.105 -2.655
162 HZ2 LYS 20 HZ2 LYS 20 -0.983 7.750 -2.394
163 HZ3 LYS 20 HZ3 LYS 20 -2.161 6.742 -3.087
164 H ILE 21 H ILE 21 -1.453 -0.133 -1.052
165 HA ILE 21 HA ILE 21 0.057 -0.277 1.386
166 HB ILE 21 HB ILE 21 -1.489 -2.310 -0.252
167 HG12 ILE 21 HG12 ILE 21 -2.217 -0.930 2.350
168 HG13 ILE 21 HG13 ILE 21 -2.675 -0.298 0.768
169 HG21 ILE 21 HG21 ILE 21 -0.068 -2.551 2.388
170 HG22 ILE 21 HG22 ILE 21 -0.169 -3.716 1.069
171 HG23 ILE 21 HG23 ILE 21 -1.560 -3.452 2.120
172 HD11 ILE 21 HD11 ILE 21 -3.641 -2.684 0.355
173 HD12 ILE 21 HD12 ILE 21 -4.551 -1.574 1.379
174 HD13 ILE 21 HD13 ILE 21 -3.566 -2.842 2.110
175 H GLN 22 H GLN 22 0.630 -1.571 -1.854
176 HA GLN 22 HA GLN 22 2.753 -3.393 -1.238
177 HB2 GLN 22 HB2 GLN 22 1.341 -2.567 -3.458
178 HB3 GLN 22 HB3 GLN 22 2.936 -1.885 -3.772
179 HG2 GLN 22 HG2 GLN 22 3.182 -4.012 -4.683
180 HG3 GLN 22 HG3 GLN 22 3.773 -4.282 -3.044
181 HE21 GLN 22 HE21 GLN 22 2.490 -5.613 -1.624
182 HE22 GLN 22 HE22 GLN 22 1.102 -6.434 -2.153
183 H GLY 23 H GLY 23 2.855 0.052 -2.251
184 HA2 GLY 23 HA2 GLY 23 5.704 0.336 -2.053
185 HA3 GLY 23 HA3 GLY 23 4.546 1.668 -1.998
186 H LEU 24 H LEU 24 3.072 0.693 0.294
187 HA LEU 24 HA LEU 24 4.571 1.843 2.451
188 HB2 LEU 24 HB2 LEU 24 2.045 1.569 2.124
189 HB3 LEU 24 HB3 LEU 24 2.256 -0.108 2.627
190 HG LEU 24 HG LEU 24 3.483 0.907 4.691
191 HD11 LEU 24 HD11 LEU 24 3.651 3.197 3.909
192 HD12 LEU 24 HD12 LEU 24 2.548 3.166 5.284
193 HD13 LEU 24 HD13 LEU 24 1.910 3.280 3.643
194 HD21 LEU 24 HD21 LEU 24 0.526 0.901 4.126
195 HD22 LEU 24 HD22 LEU 24 1.117 1.443 5.697
196 HD23 LEU 24 HD23 LEU 24 1.464 -0.195 5.141
197 H LEU 25 H LEU 25 3.965 -1.547 1.497
198 HA LEU 25 HA LEU 25 5.268 -2.786 3.745
199 HB2 LEU 25 HB2 LEU 25 3.778 -3.548 1.544
200 HB3 LEU 25 HB3 LEU 25 5.374 -4.176 1.144
201 HG LEU 25 HG LEU 25 4.080 -5.855 2.384
202 HD11 LEU 25 HD11 LEU 25 6.592 -5.536 2.735
203 HD12 LEU 25 HD12 LEU 25 5.739 -6.418 4.002
204 HD13 LEU 25 HD13 LEU 25 6.179 -4.728 4.248
205 HD21 LEU 25 HD21 LEU 25 4.065 -3.879 4.683
206 HD22 LEU 25 HD22 LEU 25 3.284 -5.459 4.627
207 HD23 LEU 25 HD23 LEU 25 2.683 -4.143 3.619
208 H GLN 26 H GLN 26 6.442 -1.812 0.511
209 HA GLN 26 HA GLN 26 9.087 -2.899 0.730
210 HB2 GLN 26 HB2 GLN 26 7.554 -1.047 -0.960
211 HB3 GLN 26 HB3 GLN 26 9.266 -0.634 -0.870
212 HG2 GLN 26 HG2 GLN 26 8.333 -3.457 -1.415
213 HG3 GLN 26 HG3 GLN 26 8.580 -2.289 -2.712
214 HE21 GLN 26 HE21 GLN 26 10.178 -4.626 -0.809
215 HE22 GLN 26 HE22 GLN 26 11.774 -4.161 -1.152
216 H GLN 27 H GLN 27 7.774 0.319 1.594
217 HA GLN 27 HA GLN 27 10.288 1.462 2.410
218 HB2 GLN 27 HB2 GLN 27 7.379 2.042 2.643
219 HB3 GLN 27 HB3 GLN 27 8.429 2.847 3.811
220 HG2 GLN 27 HG2 GLN 27 9.816 3.731 1.987
221 HG3 GLN 27 HG3 GLN 27 8.814 2.894 0.802
222 HE21 GLN 27 HE21 GLN 27 6.484 3.612 0.660
223 HE22 GLN 27 HE22 GLN 27 6.085 5.202 1.100
224 H ALA 28 H ALA 28 7.808 -0.397 4.118
225 HA ALA 28 HA ALA 28 8.788 -0.056 6.789
226 HB1 ALA 28 HB1 ALA 28 7.414 -2.472 5.576
227 HB2 ALA 28 HB2 ALA 28 6.564 -0.986 6.003
228 HB3 ALA 28 HB3 ALA 28 7.347 -1.947 7.258
229 H SER 29 H SER 29 9.529 -2.458 4.274
230 HA SER 29 HA SER 29 11.282 -4.127 5.818
231 HB2 SER 29 HB2 SER 29 10.230 -4.640 3.595
232 HB3 SER 29 HB3 SER 29 11.319 -3.475 2.848
233 HG SER 29 HG SER 29 11.934 -5.919 4.146
234 H LYS 30 H LYS 30 11.869 -1.213 3.844
235 HA LYS 30 HA LYS 30 14.762 -1.249 4.192
236 HB2 LYS 30 HB2 LYS 30 13.068 -0.093 2.455
237 HB3 LYS 30 HB3 LYS 30 13.230 1.249 3.589
238 HG2 LYS 30 HG2 LYS 30 15.159 1.773 2.542
239 HG3 LYS 30 HG3 LYS 30 15.846 0.308 3.243
240 HD2 LYS 30 HD2 LYS 30 14.203 0.046 0.753
241 HD3 LYS 30 HD3 LYS 30 15.837 0.690 0.608
242 HE2 LYS 30 HE2 LYS 30 15.291 -1.866 2.141
243 HE3 LYS 30 HE3 LYS 30 15.589 -1.874 0.393
244 HZ1 LYS 30 HZ1 LYS 30 17.388 -1.058 2.576
245 HZ2 LYS 30 HZ2 LYS 30 17.557 -0.323 1.054
246 HZ3 LYS 30 HZ3 LYS 30 17.722 -2.007 1.210
247 H GLN 31 H GLN 31 12.036 0.413 5.789
248 HA GLN 31 HA GLN 31 13.532 2.168 7.474
249 HB2 GLN 31 HB2 GLN 31 11.055 2.149 6.991
250 HB3 GLN 31 HB3 GLN 31 10.911 0.745 8.048
251 HG2 GLN 31 HG2 GLN 31 12.375 2.595 9.554
252 HG3 GLN 31 HG3 GLN 31 11.137 3.563 8.753
253 HE21 GLN 31 HE21 GLN 31 8.819 2.601 8.925
254 HE22 GLN 31 HE22 GLN 31 8.413 1.836 10.386
255 H ALA 32 H ALA 32 12.548 -1.232 7.904
256 HA ALA 32 HA ALA 32 13.511 -1.465 10.637
257 HB1 ALA 32 HB1 ALA 32 11.770 -2.890 9.574
258 HB2 ALA 32 HB2 ALA 32 13.096 -3.859 10.217
259 HB3 ALA 32 HB3 ALA 32 12.992 -3.545 8.485
260 H GLN 33 H GLN 33 14.920 -2.031 7.428
261 HA GLN 33 HA GLN 33 17.481 -2.947 8.674
262 HB2 GLN 33 HB2 GLN 33 16.214 -3.096 5.931
263 HB3 GLN 33 HB3 GLN 33 17.912 -3.492 6.185
264 HG2 GLN 33 HG2 GLN 33 17.300 -5.216 7.810
265 HG3 GLN 33 HG3 GLN 33 15.596 -4.788 7.652
266 HE21 GLN 33 HE21 GLN 33 14.448 -5.558 5.779
267 HE22 GLN 33 HE22 GLN 33 15.151 -6.604 4.644
268 H ASP 34 H ASP 34 16.584 -0.074 8.639
269 HA ASP 34 HA ASP 34 18.211 1.247 6.580
270 HB2 ASP 34 HB2 ASP 34 15.948 1.927 7.724
271 HB3 ASP 34 HB3 ASP 34 16.991 2.566 8.995
272 H ILE 35 H ILE 35 18.430 0.717 10.119
273 HA ILE 35 HA ILE 35 21.246 1.749 9.993
274 HB ILE 35 HB ILE 35 19.182 1.867 12.216
275 HG12 ILE 35 HG12 ILE 35 20.064 4.433 11.602
276 HG13 ILE 35 HG13 ILE 35 19.949 3.655 10.024
277 HG21 ILE 35 HG21 ILE 35 22.116 2.500 12.111
278 HG22 ILE 35 HG22 ILE 35 21.186 1.738 13.401
279 HG23 ILE 35 HG23 ILE 35 21.061 3.477 13.133
280 HD11 ILE 35 HD11 ILE 35 17.634 2.866 10.697
281 HD12 ILE 35 HD12 ILE 35 17.792 4.609 10.486
282 HD13 ILE 35 HD13 ILE 35 17.768 3.916 12.107
283 H GLN 36 H GLN 36 19.445 -0.064 12.483
284 HA GLN 36 HA GLN 36 21.223 -2.417 12.082
285 HB2 GLN 36 HB2 GLN 36 21.837 -0.410 13.865
286 HB3 GLN 36 HB3 GLN 36 20.947 -1.538 14.886
287 HG2 GLN 36 HG2 GLN 36 22.437 -3.348 14.314
288 HG3 GLN 36 HG3 GLN 36 23.229 -2.372 13.077
289 HE21 GLN 36 HE21 GLN 36 25.112 -1.320 13.754
290 HE22 GLN 36 HE22 GLN 36 25.510 -0.987 15.369
291 HA PRO 37 HA PRO 37 17.299 -4.253 13.125
292 HB2 PRO 37 HB2 PRO 37 18.083 -6.863 12.888
293 HB3 PRO 37 HB3 PRO 37 17.758 -5.821 11.492
294 HG2 PRO 37 HG2 PRO 37 20.340 -6.687 12.643
295 HG3 PRO 37 HG3 PRO 37 19.909 -6.344 10.964
296 HD2 PRO 37 HD2 PRO 37 21.325 -4.647 12.643
297 HD3 PRO 37 HD3 PRO 37 20.496 -4.164 11.148
298 H ALA 38 H ALA 38 16.963 -6.579 14.570
299 HA ALA 38 HA ALA 38 17.910 -5.790 17.265
300 HB1 ALA 38 HB1 ALA 38 15.945 -7.868 16.244
301 HB2 ALA 38 HB2 ALA 38 15.541 -6.266 16.865
302 HB3 ALA 38 HB3 ALA 38 16.208 -7.489 17.947
303 H MET 39 H MET 39 18.130 -8.584 15.044
304 HA MET 39 HA MET 39 19.598 -10.266 16.906
305 HB2 MET 39 HB2 MET 39 18.742 -10.273 14.053
306 HB3 MET 39 HB3 MET 39 20.111 -11.308 14.460
307 HG2 MET 39 HG2 MET 39 18.839 -12.501 16.102
308 HG3 MET 39 HG3 MET 39 17.524 -11.328 16.029
309 HE1 MET 39 HE1 MET 39 15.797 -11.131 14.365
310 HE2 MET 39 HE2 MET 39 15.463 -12.553 15.351
311 HE3 MET 39 HE3 MET 39 15.178 -12.607 13.613
312 H GLN 40 H GLN 40 20.694 -8.775 13.817
313 HA GLN 40 HA GLN 40 23.369 -8.321 15.099
314 HB2 GLN 40 HB2 GLN 40 22.612 -9.621 12.471
315 HB3 GLN 40 HB3 GLN 40 24.232 -8.981 12.749
316 HG2 GLN 40 HG2 GLN 40 23.169 -10.706 14.910
317 HG3 GLN 40 HG3 GLN 40 23.491 -11.524 13.382
318 HE21 GLN 40 HE21 GLN 40 25.722 -11.643 12.646
319 HE22 GLN 40 HE22 GLN 40 27.018 -11.212 13.652
Start of MODEL 28
1 HA ALA 1 HA ALA 1 -21.373 6.160 5.614
2 HB1 ALA 1 HB1 ALA 1 -24.394 6.340 5.680
3 HB2 ALA 1 HB2 ALA 1 -23.386 7.107 6.908
4 HB3 ALA 1 HB3 ALA 1 -23.345 5.356 6.700
5 H SER 2 H SER 2 -21.023 4.434 4.265
6 HA SER 2 HA SER 2 -22.965 3.942 2.032
7 HB2 SER 2 HB2 SER 2 -20.824 3.395 0.705
8 HB3 SER 2 HB3 SER 2 -21.129 5.095 1.044
9 HG SER 2 HG SER 2 -19.099 3.478 1.867
10 H ARG 3 H ARG 3 -23.808 1.939 2.462
11 HA ARG 3 HA ARG 3 -22.025 -0.154 3.654
12 HB2 ARG 3 HB2 ARG 3 -24.858 0.656 3.885
13 HB3 ARG 3 HB3 ARG 3 -24.609 -1.088 3.788
14 HG2 ARG 3 HG2 ARG 3 -22.838 -0.819 5.595
15 HG3 ARG 3 HG3 ARG 3 -23.412 0.836 5.796
16 HD2 ARG 3 HD2 ARG 3 -25.365 -1.467 5.887
17 HD3 ARG 3 HD3 ARG 3 -24.450 -0.996 7.333
18 HE ARG 3 HE ARG 3 -26.203 0.895 5.801
19 HH11 ARG 3 HH11 ARG 3 -24.310 2.294 7.545
20 HH12 ARG 3 HH12 ARG 3 -25.149 2.392 9.056
21 HH21 ARG 3 HH21 ARG 3 -27.452 -0.080 8.234
22 HH22 ARG 3 HH22 ARG 3 -26.937 1.042 9.448
23 H ALA 4 H ALA 4 -24.655 0.199 1.226
24 HA ALA 4 HA ALA 4 -24.133 -2.380 -0.010
25 HB1 ALA 4 HB1 ALA 4 -26.329 -1.440 -0.130
26 HB2 ALA 4 HB2 ALA 4 -25.686 -1.334 -1.768
27 HB3 ALA 4 HB3 ALA 4 -25.714 0.097 -0.739
28 H ALA 5 H ALA 5 -23.394 1.004 -0.936
29 HA ALA 5 HA ALA 5 -22.089 0.422 -3.419
30 HB1 ALA 5 HB1 ALA 5 -21.199 2.694 -1.687
31 HB2 ALA 5 HB2 ALA 5 -22.901 2.638 -2.149
32 HB3 ALA 5 HB3 ALA 5 -21.652 2.696 -3.392
33 H LEU 6 H LEU 6 -20.964 0.205 -0.086
34 HA LEU 6 HA LEU 6 -18.149 0.327 -0.453
35 HB2 LEU 6 HB2 LEU 6 -19.437 0.299 1.695
36 HB3 LEU 6 HB3 LEU 6 -19.769 -1.414 1.437
37 HG LEU 6 HG LEU 6 -16.947 -0.956 1.114
38 HD11 LEU 6 HD11 LEU 6 -17.044 0.966 2.512
39 HD12 LEU 6 HD12 LEU 6 -16.571 -0.351 3.586
40 HD13 LEU 6 HD13 LEU 6 -18.238 0.227 3.579
41 HD21 LEU 6 HD21 LEU 6 -16.881 -2.581 3.033
42 HD22 LEU 6 HD22 LEU 6 -17.919 -3.105 1.707
43 HD23 LEU 6 HD23 LEU 6 -18.632 -2.424 3.169
44 H ILE 7 H ILE 7 -20.431 -2.333 -1.047
45 HA ILE 7 HA ILE 7 -18.344 -4.344 -1.441
46 HB ILE 7 HB ILE 7 -21.301 -4.214 -2.137
47 HG12 ILE 7 HG12 ILE 7 -20.373 -6.030 -0.018
48 HG13 ILE 7 HG13 ILE 7 -20.071 -4.331 0.344
49 HG21 ILE 7 HG21 ILE 7 -20.986 -6.784 -2.103
50 HG22 ILE 7 HG22 ILE 7 -19.269 -6.441 -2.313
51 HG23 ILE 7 HG23 ILE 7 -20.429 -5.915 -3.533
52 HD11 ILE 7 HD11 ILE 7 -22.750 -5.415 -0.570
53 HD12 ILE 7 HD12 ILE 7 -22.406 -3.780 -0.006
54 HD13 ILE 7 HD13 ILE 7 -22.322 -5.137 1.117
55 H GLU 8 H GLU 8 -20.294 -2.228 -3.550
56 HA GLU 8 HA GLU 8 -19.188 -3.385 -6.015
57 HB2 GLU 8 HB2 GLU 8 -20.940 -0.997 -5.356
58 HB3 GLU 8 HB3 GLU 8 -20.538 -1.479 -7.003
59 HG2 GLU 8 HG2 GLU 8 -21.655 -3.577 -6.769
60 HG3 GLU 8 HG3 GLU 8 -21.789 -3.391 -5.021
61 H GLU 9 H GLU 9 -19.141 -0.032 -4.707
62 HA GLU 9 HA GLU 9 -16.961 0.847 -6.360
63 HB2 GLU 9 HB2 GLU 9 -18.464 1.783 -3.953
64 HB3 GLU 9 HB3 GLU 9 -16.924 2.572 -4.296
65 HG2 GLU 9 HG2 GLU 9 -17.723 3.609 -6.157
66 HG3 GLU 9 HG3 GLU 9 -18.657 2.201 -6.658
67 H GLY 10 H GLY 10 -17.069 -0.542 -3.078
68 HA2 GLY 10 HA2 GLY 10 -14.364 -0.059 -2.335
69 HA3 GLY 10 HA3 GLY 10 -15.352 -1.379 -1.714
70 H GLN 11 H GLN 11 -15.809 -2.561 -4.385
71 HA GLN 11 HA GLN 11 -13.612 -4.375 -4.523
72 HB2 GLN 11 HB2 GLN 11 -16.144 -4.045 -5.652
73 HB3 GLN 11 HB3 GLN 11 -15.057 -3.953 -7.038
74 HG2 GLN 11 HG2 GLN 11 -14.148 -6.100 -6.612
75 HG3 GLN 11 HG3 GLN 11 -14.793 -6.136 -4.970
76 HE21 GLN 11 HE21 GLN 11 -17.250 -6.237 -4.797
77 HE22 GLN 11 HE22 GLN 11 -18.112 -7.028 -6.028
78 H ARG 12 H ARG 12 -14.321 -1.412 -6.383
79 HA ARG 12 HA ARG 12 -11.922 -1.647 -8.053
80 HB2 ARG 12 HB2 ARG 12 -14.115 -0.594 -8.709
81 HB3 ARG 12 HB3 ARG 12 -13.792 0.695 -7.550
82 HG2 ARG 12 HG2 ARG 12 -11.522 0.206 -9.333
83 HG3 ARG 12 HG3 ARG 12 -12.982 0.662 -10.211
84 HD2 ARG 12 HD2 ARG 12 -12.458 2.263 -7.769
85 HD3 ARG 12 HD3 ARG 12 -11.288 2.484 -9.086
86 HE ARG 12 HE ARG 12 -13.623 2.589 -10.467
87 HH11 ARG 12 HH11 ARG 12 -12.000 5.032 -9.434
88 HH12 ARG 12 HH12 ARG 12 -13.279 5.984 -8.758
89 HH21 ARG 12 HH21 ARG 12 -15.575 3.374 -8.757
90 HH22 ARG 12 HH22 ARG 12 -15.312 5.043 -8.374
91 H ILE 13 H ILE 13 -12.939 0.317 -5.240
92 HA ILE 13 HA ILE 13 -10.583 1.949 -5.063
93 HB ILE 13 HB ILE 13 -12.623 0.997 -3.025
94 HG12 ILE 13 HG12 ILE 13 -12.362 3.728 -4.297
95 HG13 ILE 13 HG13 ILE 13 -13.286 2.439 -5.067
96 HG21 ILE 13 HG21 ILE 13 -10.858 1.709 -1.656
97 HG22 ILE 13 HG22 ILE 13 -11.789 3.193 -1.863
98 HG23 ILE 13 HG23 ILE 13 -10.325 2.931 -2.811
99 HD11 ILE 13 HD11 ILE 13 -15.004 3.248 -3.808
100 HD12 ILE 13 HD12 ILE 13 -13.920 4.032 -2.658
101 HD13 ILE 13 HD13 ILE 13 -14.254 2.306 -2.519
102 H ALA 14 H ALA 14 -11.390 -1.241 -3.672
103 HA ALA 14 HA ALA 14 -9.210 -1.585 -1.899
104 HB1 ALA 14 HB1 ALA 14 -11.044 -3.143 -1.989
105 HB2 ALA 14 HB2 ALA 14 -9.604 -4.043 -2.468
106 HB3 ALA 14 HB3 ALA 14 -10.745 -3.487 -3.694
107 H GLU 15 H GLU 15 -9.358 -2.077 -5.431
108 HA GLU 15 HA GLU 15 -6.680 -3.176 -5.676
109 HB2 GLU 15 HB2 GLU 15 -8.672 -3.403 -7.254
110 HB3 GLU 15 HB3 GLU 15 -8.361 -1.741 -7.755
111 HG2 GLU 15 HG2 GLU 15 -7.158 -2.974 -9.345
112 HG3 GLU 15 HG3 GLU 15 -5.915 -2.584 -8.155
113 H MET 16 H MET 16 -8.089 0.088 -6.074
114 HA MET 16 HA MET 16 -5.674 1.392 -6.952
115 HB2 MET 16 HB2 MET 16 -8.406 2.042 -6.138
116 HB3 MET 16 HB3 MET 16 -7.254 3.265 -5.600
117 HG2 MET 16 HG2 MET 16 -7.583 4.077 -7.716
118 HG3 MET 16 HG3 MET 16 -6.349 2.881 -8.118
119 HE1 MET 16 HE1 MET 16 -7.347 3.720 -10.154
120 HE2 MET 16 HE2 MET 16 -9.036 3.587 -10.637
121 HE3 MET 16 HE3 MET 16 -7.896 2.321 -11.087
122 H LEU 17 H LEU 17 -7.179 1.071 -3.713
123 HA LEU 17 HA LEU 17 -5.128 2.535 -2.308
124 HB2 LEU 17 HB2 LEU 17 -7.624 1.349 -1.795
125 HB3 LEU 17 HB3 LEU 17 -6.496 0.489 -0.750
126 HG LEU 17 HG LEU 17 -7.430 2.475 0.385
127 HD11 LEU 17 HD11 LEU 17 -5.029 1.673 0.735
128 HD12 LEU 17 HD12 LEU 17 -5.366 3.336 1.217
129 HD13 LEU 17 HD13 LEU 17 -4.535 3.009 -0.304
130 HD21 LEU 17 HD21 LEU 17 -5.916 4.261 -1.492
131 HD22 LEU 17 HD22 LEU 17 -7.307 4.634 -0.473
132 HD23 LEU 17 HD23 LEU 17 -7.525 3.707 -1.957
133 H LYS 18 H LYS 18 -5.376 -0.762 -3.429
134 HA LYS 18 HA LYS 18 -3.559 -2.110 -1.714
135 HB2 LYS 18 HB2 LYS 18 -5.038 -2.630 -4.012
136 HB3 LYS 18 HB3 LYS 18 -3.374 -2.817 -4.560
137 HG2 LYS 18 HG2 LYS 18 -3.715 -4.054 -1.963
138 HG3 LYS 18 HG3 LYS 18 -4.900 -4.689 -3.106
139 HD2 LYS 18 HD2 LYS 18 -3.031 -5.073 -4.739
140 HD3 LYS 18 HD3 LYS 18 -1.892 -4.599 -3.478
141 HE2 LYS 18 HE2 LYS 18 -3.911 -6.740 -2.857
142 HE3 LYS 18 HE3 LYS 18 -2.476 -7.159 -3.811
143 HZ1 LYS 18 HZ1 LYS 18 -1.091 -6.114 -2.118
144 HZ2 LYS 18 HZ2 LYS 18 -2.023 -7.362 -1.438
145 HZ3 LYS 18 HZ3 LYS 18 -2.464 -5.739 -1.195
146 H SER 19 H SER 19 -2.921 -0.245 -4.704
147 HA SER 19 HA SER 19 -0.083 -0.672 -4.792
148 HB2 SER 19 HB2 SER 19 -2.083 1.244 -5.916
149 HB3 SER 19 HB3 SER 19 -0.386 1.702 -6.013
150 HG SER 19 HG SER 19 -1.755 -0.435 -7.193
151 H LYS 20 H LYS 20 -2.075 1.827 -3.203
152 HA LYS 20 HA LYS 20 0.038 3.528 -2.300
153 HB2 LYS 20 HB2 LYS 20 -2.734 2.859 -1.269
154 HB3 LYS 20 HB3 LYS 20 -1.740 4.127 -0.553
155 HG2 LYS 20 HG2 LYS 20 -1.994 4.214 -3.508
156 HG3 LYS 20 HG3 LYS 20 -3.466 4.566 -2.606
157 HD2 LYS 20 HD2 LYS 20 -0.875 5.877 -1.818
158 HD3 LYS 20 HD3 LYS 20 -1.817 6.524 -3.161
159 HE2 LYS 20 HE2 LYS 20 -3.535 5.944 -0.877
160 HE3 LYS 20 HE3 LYS 20 -2.238 7.073 -0.441
161 HZ1 LYS 20 HZ1 LYS 20 -4.201 8.179 -1.448
162 HZ2 LYS 20 HZ2 LYS 20 -3.914 7.320 -2.886
163 HZ3 LYS 20 HZ3 LYS 20 -2.768 8.439 -2.318
164 H ILE 21 H ILE 21 -1.472 0.649 -0.823
165 HA ILE 21 HA ILE 21 0.062 0.782 1.638
166 HB ILE 21 HB ILE 21 -1.450 -1.464 0.262
167 HG12 ILE 21 HG12 ILE 21 -2.491 -0.024 2.661
168 HG13 ILE 21 HG13 ILE 21 -2.520 0.854 1.132
169 HG21 ILE 21 HG21 ILE 21 -1.586 -2.356 2.643
170 HG22 ILE 21 HG22 ILE 21 -0.342 -1.181 3.067
171 HG23 ILE 21 HG23 ILE 21 0.007 -2.452 1.894
172 HD11 ILE 21 HD11 ILE 21 -3.678 -1.116 0.092
173 HD12 ILE 21 HD12 ILE 21 -4.619 -0.337 1.363
174 HD13 ILE 21 HD13 ILE 21 -3.772 -1.848 1.695
175 H GLN 22 H GLN 22 0.518 -0.773 -1.501
176 HA GLN 22 HA GLN 22 2.621 -2.581 -0.827
177 HB2 GLN 22 HB2 GLN 22 1.277 -2.440 -2.960
178 HB3 GLN 22 HB3 GLN 22 2.220 -1.016 -3.399
179 HG2 GLN 22 HG2 GLN 22 3.089 -3.149 -4.411
180 HG3 GLN 22 HG3 GLN 22 4.274 -2.304 -3.416
181 HE21 GLN 22 HE21 GLN 22 5.378 -3.698 -2.039
182 HE22 GLN 22 HE22 GLN 22 4.736 -5.116 -1.362
183 H GLY 23 H GLY 23 2.774 0.814 -1.991
184 HA2 GLY 23 HA2 GLY 23 5.637 1.024 -1.909
185 HA3 GLY 23 HA3 GLY 23 4.518 2.388 -1.865
186 H LEU 24 H LEU 24 3.096 1.773 0.478
187 HA LEU 24 HA LEU 24 4.777 2.824 2.542
188 HB2 LEU 24 HB2 LEU 24 2.253 2.897 2.331
189 HB3 LEU 24 HB3 LEU 24 2.224 1.200 2.811
190 HG LEU 24 HG LEU 24 3.843 2.871 4.602
191 HD11 LEU 24 HD11 LEU 24 0.846 3.318 4.565
192 HD12 LEU 24 HD12 LEU 24 2.006 4.465 3.896
193 HD13 LEU 24 HD13 LEU 24 2.030 4.091 5.619
194 HD21 LEU 24 HD21 LEU 24 2.889 1.491 6.241
195 HD22 LEU 24 HD22 LEU 24 2.875 0.444 4.823
196 HD23 LEU 24 HD23 LEU 24 1.399 1.267 5.326
197 H LEU 25 H LEU 25 3.755 -0.513 1.777
198 HA LEU 25 HA LEU 25 4.930 -1.798 4.064
199 HB2 LEU 25 HB2 LEU 25 3.219 -2.711 2.452
200 HB3 LEU 25 HB3 LEU 25 4.502 -2.865 1.252
201 HG LEU 25 HG LEU 25 5.235 -4.049 3.828
202 HD11 LEU 25 HD11 LEU 25 3.713 -5.935 3.753
203 HD12 LEU 25 HD12 LEU 25 2.950 -5.315 2.288
204 HD13 LEU 25 HD13 LEU 25 2.753 -4.456 3.816
205 HD21 LEU 25 HD21 LEU 25 6.031 -5.814 2.416
206 HD22 LEU 25 HD22 LEU 25 6.330 -4.316 1.534
207 HD23 LEU 25 HD23 LEU 25 4.958 -5.337 1.101
208 H GLN 26 H GLN 26 6.209 -1.028 0.818
209 HA GLN 26 HA GLN 26 8.719 -2.401 1.064
210 HB2 GLN 26 HB2 GLN 26 7.559 -1.430 -0.997
211 HB3 GLN 26 HB3 GLN 26 8.142 0.149 -0.471
212 HG2 GLN 26 HG2 GLN 26 10.227 -1.927 -0.483
213 HG3 GLN 26 HG3 GLN 26 9.550 -1.598 -2.078
214 HE21 GLN 26 HE21 GLN 26 10.198 0.342 -3.110
215 HE22 GLN 26 HE22 GLN 26 11.150 1.534 -2.369
216 H GLN 27 H GLN 27 7.726 0.936 1.882
217 HA GLN 27 HA GLN 27 10.288 1.966 2.603
218 HB2 GLN 27 HB2 GLN 27 8.066 3.169 2.254
219 HB3 GLN 27 HB3 GLN 27 7.611 2.620 3.867
220 HG2 GLN 27 HG2 GLN 27 8.505 4.770 4.249
221 HG3 GLN 27 HG3 GLN 27 9.843 3.690 4.640
222 HE21 GLN 27 HE21 GLN 27 8.535 5.626 1.886
223 HE22 GLN 27 HE22 GLN 27 10.053 5.929 1.191
224 H ALA 28 H ALA 28 7.816 0.299 4.541
225 HA ALA 28 HA ALA 28 9.277 0.386 7.039
226 HB1 ALA 28 HB1 ALA 28 7.561 -1.489 7.545
227 HB2 ALA 28 HB2 ALA 28 6.961 -1.194 5.913
228 HB3 ALA 28 HB3 ALA 28 6.917 0.096 7.115
229 H SER 29 H SER 29 8.906 -2.046 4.476
230 HA SER 29 HA SER 29 10.450 -4.134 5.708
231 HB2 SER 29 HB2 SER 29 9.718 -3.394 2.867
232 HB3 SER 29 HB3 SER 29 10.645 -4.844 3.237
233 HG SER 29 HG SER 29 7.988 -4.189 3.839
234 H LYS 30 H LYS 30 11.339 -1.505 3.444
235 HA LYS 30 HA LYS 30 14.072 -2.201 3.051
236 HB2 LYS 30 HB2 LYS 30 12.670 -0.480 1.838
237 HB3 LYS 30 HB3 LYS 30 12.855 0.573 3.240
238 HG2 LYS 30 HG2 LYS 30 15.357 0.346 2.977
239 HG3 LYS 30 HG3 LYS 30 15.059 -0.495 1.455
240 HD2 LYS 30 HD2 LYS 30 13.686 1.531 0.745
241 HD3 LYS 30 HD3 LYS 30 14.339 2.358 2.159
242 HE2 LYS 30 HE2 LYS 30 15.907 2.967 0.529
243 HE3 LYS 30 HE3 LYS 30 16.661 1.497 1.173
244 HZ1 LYS 30 HZ1 LYS 30 14.772 1.567 -1.123
245 HZ2 LYS 30 HZ2 LYS 30 15.580 0.197 -0.525
246 HZ3 LYS 30 HZ3 LYS 30 16.458 1.447 -1.268
247 H GLN 31 H GLN 31 12.505 -0.271 5.623
248 HA GLN 31 HA GLN 31 14.777 0.734 6.964
249 HB2 GLN 31 HB2 GLN 31 12.076 -0.271 7.901
250 HB3 GLN 31 HB3 GLN 31 13.216 0.510 8.998
251 HG2 GLN 31 HG2 GLN 31 12.780 1.959 6.463
252 HG3 GLN 31 HG3 GLN 31 11.355 1.851 7.496
253 HE21 GLN 31 HE21 GLN 31 14.761 2.957 7.452
254 HE22 GLN 31 HE22 GLN 31 14.593 4.029 8.758
255 H ALA 32 H ALA 32 13.344 -2.521 7.091
256 HA ALA 32 HA ALA 32 15.323 -3.420 9.110
257 HB1 ALA 32 HB1 ALA 32 13.966 -5.461 9.063
258 HB2 ALA 32 HB2 ALA 32 13.114 -4.886 7.629
259 HB3 ALA 32 HB3 ALA 32 12.907 -4.055 9.172
260 H GLN 33 H GLN 33 14.788 -3.554 5.633
261 HA GLN 33 HA GLN 33 16.959 -5.594 5.329
262 HB2 GLN 33 HB2 GLN 33 14.422 -5.316 4.237
263 HB3 GLN 33 HB3 GLN 33 15.473 -4.726 2.950
264 HG2 GLN 33 HG2 GLN 33 16.045 -7.317 4.394
265 HG3 GLN 33 HG3 GLN 33 14.978 -7.256 2.991
266 HE21 GLN 33 HE21 GLN 33 15.967 -6.377 0.926
267 HE22 GLN 33 HE22 GLN 33 17.639 -6.544 0.687
268 H ASP 34 H ASP 34 17.453 -2.668 5.912
269 HA ASP 34 HA ASP 34 19.364 -2.188 3.708
270 HB2 ASP 34 HB2 ASP 34 16.846 -1.206 3.436
271 HB3 ASP 34 HB3 ASP 34 17.589 0.119 4.331
272 H ILE 35 H ILE 35 20.063 -2.780 6.302
273 HA ILE 35 HA ILE 35 20.772 -0.130 7.530
274 HB ILE 35 HB ILE 35 20.623 -2.873 8.836
275 HG12 ILE 35 HG12 ILE 35 18.551 -0.739 9.258
276 HG13 ILE 35 HG13 ILE 35 18.428 -1.765 7.831
277 HG21 ILE 35 HG21 ILE 35 21.958 -1.424 10.166
278 HG22 ILE 35 HG22 ILE 35 20.354 -1.348 10.894
279 HG23 ILE 35 HG23 ILE 35 20.911 -0.040 9.852
280 HD11 ILE 35 HD11 ILE 35 17.233 -2.545 10.001
281 HD12 ILE 35 HD12 ILE 35 18.851 -2.973 10.557
282 HD13 ILE 35 HD13 ILE 35 18.187 -3.728 9.108
283 H GLN 36 H GLN 36 22.384 -0.921 5.438
284 HA GLN 36 HA GLN 36 24.916 -1.636 6.835
285 HB2 GLN 36 HB2 GLN 36 25.374 -3.248 4.908
286 HB3 GLN 36 HB3 GLN 36 24.113 -3.754 6.029
287 HG2 GLN 36 HG2 GLN 36 22.395 -2.838 4.472
288 HG3 GLN 36 HG3 GLN 36 23.678 -2.424 3.335
289 HE21 GLN 36 HE21 GLN 36 24.817 -4.218 2.255
290 HE22 GLN 36 HE22 GLN 36 24.161 -5.784 2.250
291 HA PRO 37 HA PRO 37 25.263 1.751 3.640
292 HB2 PRO 37 HB2 PRO 37 26.152 3.711 5.329
293 HB3 PRO 37 HB3 PRO 37 24.430 3.407 5.024
294 HG2 PRO 37 HG2 PRO 37 26.104 2.635 7.351
295 HG3 PRO 37 HG3 PRO 37 24.405 3.131 7.293
296 HD2 PRO 37 HD2 PRO 37 25.263 0.528 7.541
297 HD3 PRO 37 HD3 PRO 37 23.674 1.011 6.910
298 H ALA 38 H ALA 38 27.069 0.420 2.890
299 HA ALA 38 HA ALA 38 29.657 0.608 4.319
300 HB1 ALA 38 HB1 ALA 38 28.662 -0.790 1.819
301 HB2 ALA 38 HB2 ALA 38 29.021 -1.521 3.384
302 HB3 ALA 38 HB3 ALA 38 30.330 -0.897 2.380
303 H MET 39 H MET 39 28.290 1.554 1.143
304 HA MET 39 HA MET 39 30.697 3.239 0.618
305 HB2 MET 39 HB2 MET 39 28.455 2.028 -0.984
306 HB3 MET 39 HB3 MET 39 29.345 3.399 -1.647
307 HG2 MET 39 HG2 MET 39 30.943 1.156 -0.492
308 HG3 MET 39 HG3 MET 39 30.152 0.877 -2.043
309 HE1 MET 39 HE1 MET 39 34.097 1.823 -2.254
310 HE2 MET 39 HE2 MET 39 32.982 0.571 -2.793
311 HE3 MET 39 HE3 MET 39 33.134 0.924 -1.074
312 H GLN 40 H GLN 40 27.116 3.492 0.498
313 HA GLN 40 HA GLN 40 27.390 6.446 0.942
314 HB2 GLN 40 HB2 GLN 40 26.368 5.374 -1.209
315 HB3 GLN 40 HB3 GLN 40 24.978 5.022 -0.181
316 HG2 GLN 40 HG2 GLN 40 24.571 7.320 0.248
317 HG3 GLN 40 HG3 GLN 40 26.165 7.795 -0.340
318 HE21 GLN 40 HE21 GLN 40 25.669 9.055 -2.182
319 HE22 GLN 40 HE22 GLN 40 24.710 8.511 -3.472
Start of MODEL 29
1 HA ALA 1 HA ALA 1 -24.723 5.713 0.488
2 HB1 ALA 1 HB1 ALA 1 -24.122 3.284 2.210
3 HB2 ALA 1 HB2 ALA 1 -23.160 4.758 2.093
4 HB3 ALA 1 HB3 ALA 1 -23.272 3.667 0.713
5 H SER 2 H SER 2 -24.841 4.332 -1.447
6 HA SER 2 HA SER 2 -27.466 3.043 -1.755
7 HB2 SER 2 HB2 SER 2 -25.239 4.048 -3.424
8 HB3 SER 2 HB3 SER 2 -26.080 2.652 -4.091
9 HG SER 2 HG SER 2 -26.980 5.240 -3.604
10 H ARG 3 H ARG 3 -27.819 0.851 -1.650
11 HA ARG 3 HA ARG 3 -25.937 -1.018 -0.663
12 HB2 ARG 3 HB2 ARG 3 -28.520 -1.192 -2.213
13 HB3 ARG 3 HB3 ARG 3 -27.653 -2.657 -1.753
14 HG2 ARG 3 HG2 ARG 3 -28.581 -2.521 0.292
15 HG3 ARG 3 HG3 ARG 3 -27.706 -1.012 0.553
16 HD2 ARG 3 HD2 ARG 3 -29.624 0.136 -0.737
17 HD3 ARG 3 HD3 ARG 3 -30.519 -1.378 -0.503
18 HE ARG 3 HE ARG 3 -29.387 0.223 1.767
19 HH11 ARG 3 HH11 ARG 3 -30.108 -2.510 2.543
20 HH12 ARG 3 HH12 ARG 3 -31.773 -2.372 3.002
21 HH21 ARG 3 HH21 ARG 3 -32.225 0.683 1.402
22 HH22 ARG 3 HH22 ARG 3 -32.978 -0.554 2.352
23 H ALA 4 H ALA 4 -26.936 -0.427 -4.056
24 HA ALA 4 HA ALA 4 -25.183 -2.417 -5.209
25 HB1 ALA 4 HB1 ALA 4 -27.269 -1.296 -6.180
26 HB2 ALA 4 HB2 ALA 4 -25.896 -1.429 -7.280
27 HB3 ALA 4 HB3 ALA 4 -26.253 0.111 -6.496
28 H ALA 5 H ALA 5 -24.878 1.112 -4.700
29 HA ALA 5 HA ALA 5 -22.321 1.410 -5.984
30 HB1 ALA 5 HB1 ALA 5 -24.074 3.161 -5.351
31 HB2 ALA 5 HB2 ALA 5 -22.397 3.598 -5.017
32 HB3 ALA 5 HB3 ALA 5 -23.443 3.055 -3.706
33 H LEU 6 H LEU 6 -23.237 0.298 -2.765
34 HA LEU 6 HA LEU 6 -20.812 0.785 -1.347
35 HB2 LEU 6 HB2 LEU 6 -23.203 -0.944 -1.167
36 HB3 LEU 6 HB3 LEU 6 -21.785 -1.580 -0.336
37 HG LEU 6 HG LEU 6 -22.390 1.310 0.059
38 HD11 LEU 6 HD11 LEU 6 -23.938 -0.869 1.493
39 HD12 LEU 6 HD12 LEU 6 -24.612 0.143 0.214
40 HD13 LEU 6 HD13 LEU 6 -24.090 0.872 1.732
41 HD21 LEU 6 HD21 LEU 6 -21.277 -1.004 1.641
42 HD22 LEU 6 HD22 LEU 6 -21.793 0.471 2.457
43 HD23 LEU 6 HD23 LEU 6 -20.510 0.536 1.249
44 H ILE 7 H ILE 7 -21.803 -2.072 -3.285
45 HA ILE 7 HA ILE 7 -19.367 -3.559 -2.898
46 HB ILE 7 HB ILE 7 -21.523 -3.553 -5.038
47 HG12 ILE 7 HG12 ILE 7 -20.982 -5.582 -2.855
48 HG13 ILE 7 HG13 ILE 7 -22.038 -4.191 -2.603
49 HG21 ILE 7 HG21 ILE 7 -20.573 -5.938 -5.435
50 HG22 ILE 7 HG22 ILE 7 -19.112 -5.328 -4.660
51 HG23 ILE 7 HG23 ILE 7 -19.703 -4.576 -6.142
52 HD11 ILE 7 HD11 ILE 7 -22.972 -5.184 -4.993
53 HD12 ILE 7 HD12 ILE 7 -23.676 -5.536 -3.415
54 HD13 ILE 7 HD13 ILE 7 -22.521 -6.658 -4.136
55 H GLU 8 H GLU 8 -20.443 -1.363 -5.527
56 HA GLU 8 HA GLU 8 -18.056 -1.581 -7.122
57 HB2 GLU 8 HB2 GLU 8 -20.438 -0.624 -7.612
58 HB3 GLU 8 HB3 GLU 8 -19.807 0.872 -6.923
59 HG2 GLU 8 HG2 GLU 8 -17.791 0.077 -8.658
60 HG3 GLU 8 HG3 GLU 8 -19.262 -0.349 -9.530
61 H GLU 9 H GLU 9 -19.068 0.799 -4.641
62 HA GLU 9 HA GLU 9 -16.772 2.491 -4.721
63 HB2 GLU 9 HB2 GLU 9 -18.891 3.026 -3.600
64 HB3 GLU 9 HB3 GLU 9 -18.649 1.700 -2.463
65 HG2 GLU 9 HG2 GLU 9 -16.739 2.786 -1.479
66 HG3 GLU 9 HG3 GLU 9 -16.709 4.010 -2.748
67 H GLY 10 H GLY 10 -17.431 -0.476 -2.835
68 HA2 GLY 10 HA2 GLY 10 -14.991 -0.427 -1.313
69 HA3 GLY 10 HA3 GLY 10 -15.997 -1.850 -1.579
70 H GLN 11 H GLN 11 -15.872 -1.957 -4.416
71 HA GLN 11 HA GLN 11 -13.494 -3.438 -4.885
72 HB2 GLN 11 HB2 GLN 11 -15.640 -3.493 -6.176
73 HB3 GLN 11 HB3 GLN 11 -15.237 -1.917 -6.856
74 HG2 GLN 11 HG2 GLN 11 -12.938 -3.384 -7.331
75 HG3 GLN 11 HG3 GLN 11 -14.216 -4.575 -7.573
76 HE21 GLN 11 HE21 GLN 11 -15.250 -4.514 -9.589
77 HE22 GLN 11 HE22 GLN 11 -15.175 -3.209 -10.671
78 H ARG 12 H ARG 12 -14.233 -0.006 -5.546
79 HA ARG 12 HA ARG 12 -11.766 0.620 -6.905
80 HB2 ARG 12 HB2 ARG 12 -13.886 1.931 -6.984
81 HB3 ARG 12 HB3 ARG 12 -13.665 2.361 -5.289
82 HG2 ARG 12 HG2 ARG 12 -11.333 2.905 -7.029
83 HG3 ARG 12 HG3 ARG 12 -12.763 3.881 -7.370
84 HD2 ARG 12 HD2 ARG 12 -12.119 3.599 -4.488
85 HD3 ARG 12 HD3 ARG 12 -10.940 4.523 -5.438
86 HE ARG 12 HE ARG 12 -13.856 5.138 -5.689
87 HH11 ARG 12 HH11 ARG 12 -12.586 6.399 -3.292
88 HH12 ARG 12 HH12 ARG 12 -12.039 7.917 -3.920
89 HH21 ARG 12 HH21 ARG 12 -12.297 6.932 -7.245
90 HH22 ARG 12 HH22 ARG 12 -11.873 8.220 -6.167
91 H ILE 13 H ILE 13 -12.808 1.020 -3.495
92 HA ILE 13 HA ILE 13 -10.272 2.110 -2.597
93 HB ILE 13 HB ILE 13 -12.639 0.827 -1.193
94 HG12 ILE 13 HG12 ILE 13 -11.817 3.741 -1.341
95 HG13 ILE 13 HG13 ILE 13 -12.929 3.007 -2.495
96 HG21 ILE 13 HG21 ILE 13 -10.966 0.630 0.430
97 HG22 ILE 13 HG22 ILE 13 -11.603 2.239 0.772
98 HG23 ILE 13 HG23 ILE 13 -10.105 2.059 -0.141
99 HD11 ILE 13 HD11 ILE 13 -14.144 4.116 -0.641
100 HD12 ILE 13 HD12 ILE 13 -13.325 3.062 0.512
101 HD13 ILE 13 HD13 ILE 13 -14.444 2.378 -0.668
102 H ALA 14 H ALA 14 -11.671 -1.171 -2.693
103 HA ALA 14 HA ALA 14 -9.802 -2.570 -1.096
104 HB1 ALA 14 HB1 ALA 14 -11.348 -3.294 -3.599
105 HB2 ALA 14 HB2 ALA 14 -11.799 -3.617 -1.924
106 HB3 ALA 14 HB3 ALA 14 -10.450 -4.485 -2.657
107 H GLU 15 H GLU 15 -9.632 -1.909 -4.628
108 HA GLU 15 HA GLU 15 -7.048 -3.145 -5.004
109 HB2 GLU 15 HB2 GLU 15 -8.729 -1.125 -6.512
110 HB3 GLU 15 HB3 GLU 15 -7.170 -1.679 -7.128
111 HG2 GLU 15 HG2 GLU 15 -7.957 -4.012 -7.061
112 HG3 GLU 15 HG3 GLU 15 -9.508 -3.479 -6.412
113 H MET 16 H MET 16 -8.067 0.241 -4.457
114 HA MET 16 HA MET 16 -5.491 1.470 -4.637
115 HB2 MET 16 HB2 MET 16 -8.092 2.086 -3.225
116 HB3 MET 16 HB3 MET 16 -6.708 3.171 -3.089
117 HG2 MET 16 HG2 MET 16 -7.593 2.248 -5.809
118 HG3 MET 16 HG3 MET 16 -8.471 3.550 -5.006
119 HE1 MET 16 HE1 MET 16 -6.359 6.467 -4.776
120 HE2 MET 16 HE2 MET 16 -6.097 5.340 -3.447
121 HE3 MET 16 HE3 MET 16 -7.699 5.489 -4.162
122 H LEU 17 H LEU 17 -7.175 -0.109 -1.927
123 HA LEU 17 HA LEU 17 -5.221 0.631 0.090
124 HB2 LEU 17 HB2 LEU 17 -7.691 -0.925 -0.186
125 HB3 LEU 17 HB3 LEU 17 -6.556 -1.653 0.950
126 HG LEU 17 HG LEU 17 -6.382 0.477 2.170
127 HD11 LEU 17 HD11 LEU 17 -8.032 1.416 -0.141
128 HD12 LEU 17 HD12 LEU 17 -6.729 2.240 0.716
129 HD13 LEU 17 HD13 LEU 17 -8.335 2.144 1.436
130 HD21 LEU 17 HD21 LEU 17 -8.754 0.568 2.998
131 HD22 LEU 17 HD22 LEU 17 -8.111 -1.071 2.901
132 HD23 LEU 17 HD23 LEU 17 -9.216 -0.483 1.659
133 H LYS 18 H LYS 18 -5.615 -2.120 -2.095
134 HA LYS 18 HA LYS 18 -3.753 -3.927 -0.902
135 HB2 LYS 18 HB2 LYS 18 -5.443 -4.321 -2.759
136 HB3 LYS 18 HB3 LYS 18 -4.314 -3.524 -3.856
137 HG2 LYS 18 HG2 LYS 18 -2.606 -5.270 -2.759
138 HG3 LYS 18 HG3 LYS 18 -4.095 -6.182 -2.512
139 HD2 LYS 18 HD2 LYS 18 -3.759 -6.905 -4.639
140 HD3 LYS 18 HD3 LYS 18 -4.409 -5.332 -5.099
141 HE2 LYS 18 HE2 LYS 18 -1.501 -5.390 -4.450
142 HE3 LYS 18 HE3 LYS 18 -1.990 -6.196 -5.954
143 HZ1 LYS 18 HZ1 LYS 18 -2.699 -3.427 -5.129
144 HZ2 LYS 18 HZ2 LYS 18 -3.294 -4.205 -6.518
145 HZ3 LYS 18 HZ3 LYS 18 -1.635 -3.859 -6.378
146 H SER 19 H SER 19 -3.247 -1.366 -3.368
147 HA SER 19 HA SER 19 -0.398 -1.878 -3.637
148 HB2 SER 19 HB2 SER 19 -0.540 0.426 -4.756
149 HB3 SER 19 HB3 SER 19 -1.570 -0.827 -5.439
150 HG SER 19 HG SER 19 -2.825 0.977 -5.134
151 H LYS 20 H LYS 20 -2.370 0.301 -1.629
152 HA LYS 20 HA LYS 20 -0.265 1.947 -0.597
153 HB2 LYS 20 HB2 LYS 20 -3.015 1.083 0.271
154 HB3 LYS 20 HB3 LYS 20 -2.019 2.030 1.377
155 HG2 LYS 20 HG2 LYS 20 -1.766 3.789 -0.310
156 HG3 LYS 20 HG3 LYS 20 -2.693 2.836 -1.469
157 HD2 LYS 20 HD2 LYS 20 -4.640 2.895 0.086
158 HD3 LYS 20 HD3 LYS 20 -3.714 3.938 1.166
159 HE2 LYS 20 HE2 LYS 20 -3.499 5.131 -1.390
160 HE3 LYS 20 HE3 LYS 20 -5.205 4.676 -1.205
161 HZ1 LYS 20 HZ1 LYS 20 -5.203 5.690 0.992
162 HZ2 LYS 20 HZ2 LYS 20 -4.765 6.832 -0.187
163 HZ3 LYS 20 HZ3 LYS 20 -3.576 6.140 0.811
164 H ILE 21 H ILE 21 -1.710 -1.077 0.686
165 HA ILE 21 HA ILE 21 -0.065 -1.300 3.016
166 HB ILE 21 HB ILE 21 -1.552 -3.273 1.261
167 HG12 ILE 21 HG12 ILE 21 -2.852 -1.565 2.558
168 HG13 ILE 21 HG13 ILE 21 -3.200 -3.218 3.055
169 HG21 ILE 21 HG21 ILE 21 -1.349 -4.743 3.406
170 HG22 ILE 21 HG22 ILE 21 0.054 -3.738 3.768
171 HG23 ILE 21 HG23 ILE 21 0.013 -4.694 2.286
172 HD11 ILE 21 HD11 ILE 21 -2.869 -1.644 4.984
173 HD12 ILE 21 HD12 ILE 21 -1.205 -1.410 4.453
174 HD13 ILE 21 HD13 ILE 21 -1.743 -3.001 4.989
175 H GLN 22 H GLN 22 0.445 -2.280 -0.337
176 HA GLN 22 HA GLN 22 2.794 -3.902 0.072
177 HB2 GLN 22 HB2 GLN 22 1.094 -3.301 -1.984
178 HB3 GLN 22 HB3 GLN 22 2.503 -2.343 -2.438
179 HG2 GLN 22 HG2 GLN 22 3.589 -4.192 -3.122
180 HG3 GLN 22 HG3 GLN 22 3.365 -4.946 -1.545
181 HE21 GLN 22 HE21 GLN 22 2.351 -6.943 -1.809
182 HE22 GLN 22 HE22 GLN 22 1.093 -7.259 -2.903
183 H GLY 23 H GLY 23 2.327 -0.427 -0.635
184 HA2 GLY 23 HA2 GLY 23 5.109 0.226 -0.908
185 HA3 GLY 23 HA3 GLY 23 3.829 1.377 -0.523
186 H LEU 24 H LEU 24 2.905 0.222 1.897
187 HA LEU 24 HA LEU 24 4.702 1.332 3.825
188 HB2 LEU 24 HB2 LEU 24 2.181 -0.206 3.729
189 HB3 LEU 24 HB3 LEU 24 3.110 -0.446 5.209
190 HG LEU 24 HG LEU 24 3.323 2.236 4.995
191 HD11 LEU 24 HD11 LEU 24 1.918 2.222 2.921
192 HD12 LEU 24 HD12 LEU 24 1.224 3.190 4.221
193 HD13 LEU 24 HD13 LEU 24 0.581 1.584 3.877
194 HD21 LEU 24 HD21 LEU 24 1.461 2.361 6.618
195 HD22 LEU 24 HD22 LEU 24 2.501 0.976 6.954
196 HD23 LEU 24 HD23 LEU 24 0.948 0.740 6.153
197 H LEU 25 H LEU 25 3.996 -2.107 3.057
198 HA LEU 25 HA LEU 25 5.949 -3.242 4.827
199 HB2 LEU 25 HB2 LEU 25 3.944 -4.277 3.549
200 HB3 LEU 25 HB3 LEU 25 5.052 -4.405 2.182
201 HG LEU 25 HG LEU 25 6.656 -5.566 3.862
202 HD11 LEU 25 HD11 LEU 25 5.583 -5.118 5.942
203 HD12 LEU 25 HD12 LEU 25 5.279 -6.825 5.623
204 HD13 LEU 25 HD13 LEU 25 4.012 -5.634 5.329
205 HD21 LEU 25 HD21 LEU 25 5.632 -6.799 2.053
206 HD22 LEU 25 HD22 LEU 25 4.077 -6.824 2.883
207 HD23 LEU 25 HD23 LEU 25 5.433 -7.754 3.521
208 H GLN 26 H GLN 26 6.113 -2.301 1.382
209 HA GLN 26 HA GLN 26 8.775 -3.233 0.866
210 HB2 GLN 26 HB2 GLN 26 6.916 -2.478 -0.733
211 HB3 GLN 26 HB3 GLN 26 7.404 -0.824 -0.359
212 HG2 GLN 26 HG2 GLN 26 9.809 -2.128 -0.914
213 HG3 GLN 26 HG3 GLN 26 8.685 -2.781 -2.106
214 HE21 GLN 26 HE21 GLN 26 9.380 0.467 -0.651
215 HE22 GLN 26 HE22 GLN 26 9.301 1.295 -2.131
216 H GLN 27 H GLN 27 7.526 -0.115 2.097
217 HA GLN 27 HA GLN 27 10.042 1.280 2.117
218 HB2 GLN 27 HB2 GLN 27 7.703 2.233 2.286
219 HB3 GLN 27 HB3 GLN 27 7.651 1.644 3.948
220 HG2 GLN 27 HG2 GLN 27 9.273 3.154 4.678
221 HG3 GLN 27 HG3 GLN 27 9.966 3.345 3.067
222 HE21 GLN 27 HE21 GLN 27 9.207 5.092 1.809
223 HE22 GLN 27 HE22 GLN 27 7.896 6.078 2.248
224 H ALA 28 H ALA 28 8.514 -0.954 4.372
225 HA ALA 28 HA ALA 28 10.092 -0.468 6.699
226 HB1 ALA 28 HB1 ALA 28 9.149 -3.187 5.789
227 HB2 ALA 28 HB2 ALA 28 7.992 -1.944 6.268
228 HB3 ALA 28 HB3 ALA 28 9.183 -2.533 7.427
229 H SER 29 H SER 29 10.752 -2.255 3.746
230 HA SER 29 HA SER 29 13.326 -3.312 4.790
231 HB2 SER 29 HB2 SER 29 11.751 -4.713 3.459
232 HB3 SER 29 HB3 SER 29 11.908 -3.588 2.114
233 HG SER 29 HG SER 29 13.446 -5.648 2.692
234 H LYS 30 H LYS 30 12.059 -1.034 2.354
235 HA LYS 30 HA LYS 30 14.608 -0.359 1.174
236 HB2 LYS 30 HB2 LYS 30 11.797 0.373 0.997
237 HB3 LYS 30 HB3 LYS 30 12.830 1.795 0.861
238 HG2 LYS 30 HG2 LYS 30 13.064 1.200 -1.312
239 HG3 LYS 30 HG3 LYS 30 14.162 -0.039 -0.708
240 HD2 LYS 30 HD2 LYS 30 11.291 -0.742 -0.572
241 HD3 LYS 30 HD3 LYS 30 11.942 -0.576 -2.203
242 HE2 LYS 30 HE2 LYS 30 13.507 -2.156 -0.175
243 HE3 LYS 30 HE3 LYS 30 12.116 -2.909 -0.979
244 HZ1 LYS 30 HZ1 LYS 30 14.313 -1.491 -2.397
245 HZ2 LYS 30 HZ2 LYS 30 13.022 -2.333 -3.113
246 HZ3 LYS 30 HZ3 LYS 30 14.210 -3.175 -2.240
247 H GLN 31 H GLN 31 12.773 1.017 3.914
248 HA GLN 31 HA GLN 31 14.130 3.470 4.253
249 HB2 GLN 31 HB2 GLN 31 13.312 3.347 6.525
250 HB3 GLN 31 HB3 GLN 31 12.118 2.576 5.482
251 HG2 GLN 31 HG2 GLN 31 12.844 0.382 6.121
252 HG3 GLN 31 HG3 GLN 31 14.282 1.018 6.917
253 HE21 GLN 31 HE21 GLN 31 13.951 2.241 8.968
254 HE22 GLN 31 HE22 GLN 31 12.536 2.005 9.874
255 H ALA 32 H ALA 32 15.405 0.250 4.749
256 HA ALA 32 HA ALA 32 17.618 1.218 6.468
257 HB1 ALA 32 HB1 ALA 32 17.942 -1.040 6.911
258 HB2 ALA 32 HB2 ALA 32 17.442 -1.533 5.292
259 HB3 ALA 32 HB3 ALA 32 16.232 -1.052 6.481
260 H GLN 33 H GLN 33 17.050 0.137 3.130
261 HA GLN 33 HA GLN 33 19.949 0.550 2.506
262 HB2 GLN 33 HB2 GLN 33 17.747 -1.197 1.572
263 HB3 GLN 33 HB3 GLN 33 18.826 -0.612 0.306
264 HG2 GLN 33 HG2 GLN 33 20.557 -1.887 1.029
265 HG3 GLN 33 HG3 GLN 33 20.236 -1.516 2.723
266 HE21 GLN 33 HE21 GLN 33 19.029 -3.571 0.021
267 HE22 GLN 33 HE22 GLN 33 18.423 -4.795 1.028
268 H ASP 34 H ASP 34 17.975 2.805 2.785
269 HA ASP 34 HA ASP 34 17.847 3.765 -0.052
270 HB2 ASP 34 HB2 ASP 34 16.038 5.162 0.714
271 HB3 ASP 34 HB3 ASP 34 15.767 3.562 1.395
272 H ILE 35 H ILE 35 20.374 3.853 1.339
273 HA ILE 35 HA ILE 35 20.670 6.746 2.044
274 HB ILE 35 HB ILE 35 21.310 4.818 3.602
275 HG12 ILE 35 HG12 ILE 35 23.615 5.909 4.090
276 HG13 ILE 35 HG13 ILE 35 23.221 6.995 2.759
277 HG21 ILE 35 HG21 ILE 35 23.872 4.568 2.104
278 HG22 ILE 35 HG22 ILE 35 22.481 3.699 1.457
279 HG23 ILE 35 HG23 ILE 35 23.030 3.384 3.102
280 HD11 ILE 35 HD11 ILE 35 21.213 6.522 4.948
281 HD12 ILE 35 HD12 ILE 35 21.385 7.917 3.881
282 HD13 ILE 35 HD13 ILE 35 22.532 7.667 5.196
283 H GLN 36 H GLN 36 20.446 5.945 -0.754
284 HA GLN 36 HA GLN 36 23.147 6.816 -1.702
285 HB2 GLN 36 HB2 GLN 36 21.821 4.271 -2.058
286 HB3 GLN 36 HB3 GLN 36 22.028 5.054 -3.624
287 HG2 GLN 36 HG2 GLN 36 24.279 4.788 -3.586
288 HG3 GLN 36 HG3 GLN 36 24.394 5.279 -1.896
289 HE21 GLN 36 HE21 GLN 36 23.632 3.525 -0.267
290 HE22 GLN 36 HE22 GLN 36 23.972 1.908 -0.657
291 HA PRO 37 HA PRO 37 20.641 9.665 -3.974
292 HB2 PRO 37 HB2 PRO 37 22.523 10.535 -5.762
293 HB3 PRO 37 HB3 PRO 37 22.505 11.029 -4.057
294 HG2 PRO 37 HG2 PRO 37 24.202 9.010 -5.425
295 HG3 PRO 37 HG3 PRO 37 24.608 10.131 -4.117
296 HD2 PRO 37 HD2 PRO 37 24.079 7.463 -3.756
297 HD3 PRO 37 HD3 PRO 37 23.880 8.701 -2.498
298 H ALA 38 H ALA 38 19.181 8.222 -5.036
299 HA ALA 38 HA ALA 38 20.070 6.899 -7.550
300 HB1 ALA 38 HB1 ALA 38 18.813 5.602 -5.900
301 HB2 ALA 38 HB2 ALA 38 17.812 5.827 -7.334
302 HB3 ALA 38 HB3 ALA 38 17.524 6.805 -5.896
303 H MET 39 H MET 39 17.461 9.097 -6.425
304 HA MET 39 HA MET 39 16.872 9.846 -9.243
305 HB2 MET 39 HB2 MET 39 15.344 9.376 -6.990
306 HB3 MET 39 HB3 MET 39 15.405 11.138 -7.035
307 HG2 MET 39 HG2 MET 39 14.809 9.603 -9.551
308 HG3 MET 39 HG3 MET 39 13.528 9.888 -8.373
309 HE1 MET 39 HE1 MET 39 12.766 13.495 -8.360
310 HE2 MET 39 HE2 MET 39 13.720 12.637 -7.152
311 HE3 MET 39 HE3 MET 39 12.365 11.826 -7.932
312 H GLN 40 H GLN 40 17.549 11.516 -6.131
313 HA GLN 40 HA GLN 40 19.203 13.517 -7.558
314 HB2 GLN 40 HB2 GLN 40 16.446 13.913 -6.529
315 HB3 GLN 40 HB3 GLN 40 17.597 15.182 -6.108
316 HG2 GLN 40 HG2 GLN 40 18.249 14.963 -8.678
317 HG3 GLN 40 HG3 GLN 40 16.602 14.344 -8.802
318 HE21 GLN 40 HE21 GLN 40 14.831 15.828 -8.344
319 HE22 GLN 40 HE22 GLN 40 15.086 17.499 -8.196
Start of MODEL 30
1 HA ALA 1 HA ALA 1 -25.333 5.285 -1.419
2 HB1 ALA 1 HB1 ALA 1 -23.263 5.692 -0.193
3 HB2 ALA 1 HB2 ALA 1 -23.359 3.974 -0.579
4 HB3 ALA 1 HB3 ALA 1 -23.735 4.533 1.051
5 H SER 2 H SER 2 -25.313 2.905 -1.939
6 HA SER 2 HA SER 2 -27.500 1.512 -0.483
7 HB2 SER 2 HB2 SER 2 -26.531 1.746 -3.183
8 HB3 SER 2 HB3 SER 2 -26.515 0.047 -2.722
9 HG SER 2 HG SER 2 -28.565 1.265 -3.543
10 H ARG 3 H ARG 3 -27.218 -0.771 0.127
11 HA ARG 3 HA ARG 3 -24.792 -1.334 1.547
12 HB2 ARG 3 HB2 ARG 3 -27.219 -2.237 1.795
13 HB3 ARG 3 HB3 ARG 3 -26.761 -3.402 0.551
14 HG2 ARG 3 HG2 ARG 3 -25.684 -4.656 2.076
15 HG3 ARG 3 HG3 ARG 3 -24.673 -3.282 2.525
16 HD2 ARG 3 HD2 ARG 3 -27.501 -3.449 3.562
17 HD3 ARG 3 HD3 ARG 3 -26.202 -4.352 4.366
18 HE ARG 3 HE ARG 3 -26.035 -1.396 3.881
19 HH11 ARG 3 HH11 ARG 3 -23.547 -2.739 4.797
20 HH12 ARG 3 HH12 ARG 3 -23.641 -2.580 6.519
21 HH21 ARG 3 HH21 ARG 3 -27.035 -1.830 6.526
22 HH22 ARG 3 HH22 ARG 3 -25.623 -2.064 7.501
23 H ALA 4 H ALA 4 -26.064 -2.727 -1.508
24 HA ALA 4 HA ALA 4 -23.747 -4.326 -2.099
25 HB1 ALA 4 HB1 ALA 4 -25.912 -3.113 -3.848
26 HB2 ALA 4 HB2 ALA 4 -25.967 -4.694 -3.071
27 HB3 ALA 4 HB3 ALA 4 -24.807 -4.386 -4.364
28 H ALA 5 H ALA 5 -24.651 -0.981 -2.936
29 HA ALA 5 HA ALA 5 -22.587 -0.448 -4.844
30 HB1 ALA 5 HB1 ALA 5 -24.604 0.940 -4.399
31 HB2 ALA 5 HB2 ALA 5 -23.125 1.898 -4.310
32 HB3 ALA 5 HB3 ALA 5 -23.933 1.384 -2.829
33 H LEU 6 H LEU 6 -22.668 -0.008 -1.292
34 HA LEU 6 HA LEU 6 -20.082 1.160 -0.975
35 HB2 LEU 6 HB2 LEU 6 -22.087 0.827 0.651
36 HB3 LEU 6 HB3 LEU 6 -21.376 -0.754 0.972
37 HG LEU 6 HG LEU 6 -19.161 0.699 1.262
38 HD11 LEU 6 HD11 LEU 6 -19.877 2.830 2.503
39 HD12 LEU 6 HD12 LEU 6 -21.453 2.614 1.741
40 HD13 LEU 6 HD13 LEU 6 -20.017 2.860 0.745
41 HD21 LEU 6 HD21 LEU 6 -21.386 0.035 3.150
42 HD22 LEU 6 HD22 LEU 6 -20.075 1.051 3.747
43 HD23 LEU 6 HD23 LEU 6 -19.726 -0.559 3.120
44 H ILE 7 H ILE 7 -21.118 -2.253 -1.102
45 HA ILE 7 HA ILE 7 -18.501 -3.358 -0.494
46 HB ILE 7 HB ILE 7 -20.988 -4.483 -1.835
47 HG12 ILE 7 HG12 ILE 7 -21.417 -3.727 0.448
48 HG13 ILE 7 HG13 ILE 7 -21.367 -5.488 0.427
49 HG21 ILE 7 HG21 ILE 7 -18.577 -5.906 -0.664
50 HG22 ILE 7 HG22 ILE 7 -19.018 -5.846 -2.371
51 HG23 ILE 7 HG23 ILE 7 -20.050 -6.698 -1.222
52 HD11 ILE 7 HD11 ILE 7 -19.901 -5.255 2.150
53 HD12 ILE 7 HD12 ILE 7 -19.553 -3.574 1.748
54 HD13 ILE 7 HD13 ILE 7 -18.731 -4.875 0.886
55 H GLU 8 H GLU 8 -20.326 -2.803 -3.529
56 HA GLU 8 HA GLU 8 -18.358 -3.899 -5.314
57 HB2 GLU 8 HB2 GLU 8 -20.828 -3.291 -5.690
58 HB3 GLU 8 HB3 GLU 8 -20.278 -1.627 -5.888
59 HG2 GLU 8 HG2 GLU 8 -18.971 -2.174 -7.799
60 HG3 GLU 8 HG3 GLU 8 -19.074 -3.904 -7.472
61 H GLU 9 H GLU 9 -18.994 -0.509 -4.309
62 HA GLU 9 HA GLU 9 -16.737 0.603 -5.745
63 HB2 GLU 9 HB2 GLU 9 -18.989 1.520 -4.419
64 HB3 GLU 9 HB3 GLU 9 -17.684 2.026 -3.347
65 HG2 GLU 9 HG2 GLU 9 -17.649 3.824 -4.776
66 HG3 GLU 9 HG3 GLU 9 -16.593 2.752 -5.696
67 H GLY 10 H GLY 10 -17.217 -0.566 -2.411
68 HA2 GLY 10 HA2 GLY 10 -14.776 0.354 -1.284
69 HA3 GLY 10 HA3 GLY 10 -15.665 -1.059 -0.722
70 H GLN 11 H GLN 11 -15.517 -2.719 -2.975
71 HA GLN 11 HA GLN 11 -12.918 -3.897 -2.711
72 HB2 GLN 11 HB2 GLN 11 -15.401 -4.508 -3.840
73 HB3 GLN 11 HB3 GLN 11 -14.313 -4.458 -5.227
74 HG2 GLN 11 HG2 GLN 11 -13.608 -6.523 -4.661
75 HG3 GLN 11 HG3 GLN 11 -12.889 -5.821 -3.213
76 HE21 GLN 11 HE21 GLN 11 -16.096 -7.014 -4.391
77 HE22 GLN 11 HE22 GLN 11 -16.576 -7.632 -2.883
78 H ARG 12 H ARG 12 -14.310 -1.799 -5.258
79 HA ARG 12 HA ARG 12 -11.994 -1.762 -6.969
80 HB2 ARG 12 HB2 ARG 12 -14.615 -0.594 -6.777
81 HB3 ARG 12 HB3 ARG 12 -13.458 0.696 -7.104
82 HG2 ARG 12 HG2 ARG 12 -13.889 -0.012 -9.266
83 HG3 ARG 12 HG3 ARG 12 -12.519 -1.050 -8.870
84 HD2 ARG 12 HD2 ARG 12 -13.941 -2.925 -8.420
85 HD3 ARG 12 HD3 ARG 12 -15.395 -1.905 -8.406
86 HE ARG 12 HE ARG 12 -15.183 -1.637 -10.815
87 HH11 ARG 12 HH11 ARG 12 -15.001 -4.590 -10.673
88 HH12 ARG 12 HH12 ARG 12 -13.561 -4.931 -11.572
89 HH21 ARG 12 HH21 ARG 12 -12.374 -1.668 -11.406
90 HH22 ARG 12 HH22 ARG 12 -12.067 -3.269 -11.990
91 H ILE 13 H ILE 13 -13.121 0.498 -4.420
92 HA ILE 13 HA ILE 13 -10.910 2.324 -4.583
93 HB ILE 13 HB ILE 13 -12.919 1.550 -2.449
94 HG12 ILE 13 HG12 ILE 13 -12.562 4.101 -4.059
95 HG13 ILE 13 HG13 ILE 13 -13.644 2.788 -4.524
96 HG21 ILE 13 HG21 ILE 13 -11.043 2.335 -1.178
97 HG22 ILE 13 HG22 ILE 13 -12.152 3.700 -1.307
98 HG23 ILE 13 HG23 ILE 13 -10.718 3.630 -2.331
99 HD11 ILE 13 HD11 ILE 13 -14.264 3.280 -1.840
100 HD12 ILE 13 HD12 ILE 13 -15.218 3.768 -3.239
101 HD13 ILE 13 HD13 ILE 13 -14.042 4.883 -2.541
102 H ALA 14 H ALA 14 -11.471 -0.587 -2.574
103 HA ALA 14 HA ALA 14 -9.119 -0.453 -0.970
104 HB1 ALA 14 HB1 ALA 14 -9.534 -2.904 -0.728
105 HB2 ALA 14 HB2 ALA 14 -10.674 -2.818 -2.070
106 HB3 ALA 14 HB3 ALA 14 -11.015 -1.959 -0.568
107 H GLU 15 H GLU 15 -9.637 -2.063 -4.139
108 HA GLU 15 HA GLU 15 -7.028 -3.186 -4.426
109 HB2 GLU 15 HB2 GLU 15 -9.086 -2.184 -6.417
110 HB3 GLU 15 HB3 GLU 15 -7.667 -3.125 -6.878
111 HG2 GLU 15 HG2 GLU 15 -9.510 -4.140 -4.725
112 HG3 GLU 15 HG3 GLU 15 -9.919 -4.379 -6.423
113 H MET 16 H MET 16 -8.299 0.016 -5.392
114 HA MET 16 HA MET 16 -5.915 0.951 -6.705
115 HB2 MET 16 HB2 MET 16 -8.506 1.804 -6.296
116 HB3 MET 16 HB3 MET 16 -7.591 2.929 -5.290
117 HG2 MET 16 HG2 MET 16 -6.455 3.835 -7.095
118 HG3 MET 16 HG3 MET 16 -6.585 2.361 -8.053
119 HE1 MET 16 HE1 MET 16 -7.926 2.825 -10.344
120 HE2 MET 16 HE2 MET 16 -9.618 2.481 -9.991
121 HE3 MET 16 HE3 MET 16 -8.353 1.530 -9.217
122 H LEU 17 H LEU 17 -6.960 0.947 -3.313
123 HA LEU 17 HA LEU 17 -4.822 2.693 -2.374
124 HB2 LEU 17 HB2 LEU 17 -7.127 1.189 -1.333
125 HB3 LEU 17 HB3 LEU 17 -5.770 1.246 -0.210
126 HG LEU 17 HG LEU 17 -7.238 3.162 0.179
127 HD11 LEU 17 HD11 LEU 17 -5.556 4.744 0.343
128 HD12 LEU 17 HD12 LEU 17 -4.929 4.400 -1.269
129 HD13 LEU 17 HD13 LEU 17 -4.584 3.298 0.065
130 HD21 LEU 17 HD21 LEU 17 -8.239 3.298 -2.065
131 HD22 LEU 17 HD22 LEU 17 -6.693 3.819 -2.736
132 HD23 LEU 17 HD23 LEU 17 -7.559 4.859 -1.604
133 H LYS 18 H LYS 18 -5.163 -0.750 -2.928
134 HA LYS 18 HA LYS 18 -3.127 -1.780 -1.222
135 HB2 LYS 18 HB2 LYS 18 -4.334 -2.559 -3.873
136 HB3 LYS 18 HB3 LYS 18 -3.019 -3.513 -3.188
137 HG2 LYS 18 HG2 LYS 18 -5.073 -2.888 -1.205
138 HG3 LYS 18 HG3 LYS 18 -5.724 -3.783 -2.577
139 HD2 LYS 18 HD2 LYS 18 -4.849 -5.669 -1.719
140 HD3 LYS 18 HD3 LYS 18 -3.238 -4.990 -1.946
141 HE2 LYS 18 HE2 LYS 18 -4.561 -3.866 0.411
142 HE3 LYS 18 HE3 LYS 18 -4.387 -5.628 0.514
143 HZ1 LYS 18 HZ1 LYS 18 -2.366 -4.576 1.278
144 HZ2 LYS 18 HZ2 LYS 18 -2.238 -3.682 -0.161
145 HZ3 LYS 18 HZ3 LYS 18 -2.058 -5.372 -0.189
146 H SER 19 H SER 19 -2.898 -0.562 -4.585
147 HA SER 19 HA SER 19 -0.056 -0.975 -4.870
148 HB2 SER 19 HB2 SER 19 -1.963 -0.533 -6.600
149 HB3 SER 19 HB3 SER 19 -1.670 1.169 -6.253
150 HG SER 19 HG SER 19 -0.411 -0.098 -8.001
151 H LYS 20 H LYS 20 -2.021 1.689 -3.594
152 HA LYS 20 HA LYS 20 0.023 3.703 -3.491
153 HB2 LYS 20 HB2 LYS 20 -2.635 3.612 -3.071
154 HB3 LYS 20 HB3 LYS 20 -2.097 3.537 -1.392
155 HG2 LYS 20 HG2 LYS 20 -2.287 5.851 -1.798
156 HG3 LYS 20 HG3 LYS 20 -0.565 5.539 -2.019
157 HD2 LYS 20 HD2 LYS 20 -0.826 5.460 -4.428
158 HD3 LYS 20 HD3 LYS 20 -2.581 5.558 -4.285
159 HE2 LYS 20 HE2 LYS 20 -2.049 7.795 -4.729
160 HE3 LYS 20 HE3 LYS 20 -2.011 7.797 -2.954
161 HZ1 LYS 20 HZ1 LYS 20 0.364 7.272 -3.056
162 HZ2 LYS 20 HZ2 LYS 20 0.028 8.744 -3.833
163 HZ3 LYS 20 HZ3 LYS 20 0.319 7.345 -4.751
164 H ILE 21 H ILE 21 -0.981 1.185 -1.167
165 HA ILE 21 HA ILE 21 0.890 2.027 0.902
166 HB ILE 21 HB ILE 21 -1.053 -0.183 0.375
167 HG12 ILE 21 HG12 ILE 21 -1.488 0.485 2.888
168 HG13 ILE 21 HG13 ILE 21 -0.504 1.889 2.482
169 HG21 ILE 21 HG21 ILE 21 1.278 -0.393 2.285
170 HG22 ILE 21 HG22 ILE 21 0.708 -1.588 1.120
171 HG23 ILE 21 HG23 ILE 21 -0.233 -1.254 2.573
172 HD11 ILE 21 HD11 ILE 21 -2.008 2.479 0.663
173 HD12 ILE 21 HD12 ILE 21 -2.952 2.277 2.139
174 HD13 ILE 21 HD13 ILE 21 -2.944 1.006 0.916
175 H GLN 22 H GLN 22 1.025 -0.095 -1.879
176 HA GLN 22 HA GLN 22 3.201 -1.791 -1.243
177 HB2 GLN 22 HB2 GLN 22 1.707 -0.880 -3.547
178 HB3 GLN 22 HB3 GLN 22 3.417 -0.995 -3.958
179 HG2 GLN 22 HG2 GLN 22 3.485 -3.300 -3.119
180 HG3 GLN 22 HG3 GLN 22 1.786 -3.194 -2.652
181 HE21 GLN 22 HE21 GLN 22 0.172 -3.044 -4.419
182 HE22 GLN 22 HE22 GLN 22 0.574 -3.536 -5.991
183 H GLY 23 H GLY 23 3.272 1.483 -2.724
184 HA2 GLY 23 HA2 GLY 23 6.104 1.680 -2.988
185 HA3 GLY 23 HA3 GLY 23 5.010 3.057 -2.861
186 H LEU 24 H LEU 24 3.941 2.680 -0.321
187 HA LEU 24 HA LEU 24 6.026 3.699 1.396
188 HB2 LEU 24 HB2 LEU 24 3.413 3.947 1.396
189 HB3 LEU 24 HB3 LEU 24 3.443 2.460 2.343
190 HG LEU 24 HG LEU 24 5.306 4.637 3.176
191 HD11 LEU 24 HD11 LEU 24 3.268 5.909 2.768
192 HD12 LEU 24 HD12 LEU 24 3.471 5.694 4.507
193 HD13 LEU 24 HD13 LEU 24 2.307 4.705 3.626
194 HD21 LEU 24 HD21 LEU 24 5.450 2.811 4.601
195 HD22 LEU 24 HD22 LEU 24 3.752 2.382 4.392
196 HD23 LEU 24 HD23 LEU 24 4.197 3.741 5.422
197 H LEU 25 H LEU 25 4.439 0.515 1.099
198 HA LEU 25 HA LEU 25 5.691 -0.786 3.316
199 HB2 LEU 25 HB2 LEU 25 3.750 -1.390 1.572
200 HB3 LEU 25 HB3 LEU 25 5.069 -2.257 0.787
201 HG LEU 25 HG LEU 25 4.905 -2.639 3.714
202 HD11 LEU 25 HD11 LEU 25 2.474 -2.554 2.794
203 HD12 LEU 25 HD12 LEU 25 2.951 -3.955 3.755
204 HD13 LEU 25 HD13 LEU 25 2.884 -4.074 1.997
205 HD21 LEU 25 HD21 LEU 25 5.538 -4.174 1.233
206 HD22 LEU 25 HD22 LEU 25 4.974 -5.094 2.627
207 HD23 LEU 25 HD23 LEU 25 6.419 -4.092 2.758
208 H GLN 26 H GLN 26 6.831 -0.150 0.020
209 HA GLN 26 HA GLN 26 8.971 -1.997 -0.171
210 HB2 GLN 26 HB2 GLN 26 8.026 -0.392 -1.901
211 HB3 GLN 26 HB3 GLN 26 8.955 0.885 -1.116
212 HG2 GLN 26 HG2 GLN 26 10.694 0.278 -2.419
213 HG3 GLN 26 HG3 GLN 26 10.794 -1.197 -1.456
214 HE21 GLN 26 HE21 GLN 26 9.750 0.127 -4.549
215 HE22 GLN 26 HE22 GLN 26 9.330 -1.358 -5.253
216 H GLN 27 H GLN 27 8.965 1.305 1.229
217 HA GLN 27 HA GLN 27 11.749 1.165 2.079
218 HB2 GLN 27 HB2 GLN 27 9.413 2.981 2.745
219 HB3 GLN 27 HB3 GLN 27 11.061 3.274 3.300
220 HG2 GLN 27 HG2 GLN 27 10.286 2.972 0.382
221 HG3 GLN 27 HG3 GLN 27 10.474 4.524 1.199
222 HE21 GLN 27 HE21 GLN 27 12.185 2.021 -0.445
223 HE22 GLN 27 HE22 GLN 27 13.756 2.566 -0.099
224 H ALA 28 H ALA 28 8.603 0.658 3.631
225 HA ALA 28 HA ALA 28 9.561 0.333 6.326
226 HB1 ALA 28 HB1 ALA 28 7.117 -0.626 4.812
227 HB2 ALA 28 HB2 ALA 28 7.240 0.791 5.857
228 HB3 ALA 28 HB3 ALA 28 7.306 -0.827 6.554
229 H SER 29 H SER 29 9.108 -1.920 3.633
230 HA SER 29 HA SER 29 9.476 -4.397 4.979
231 HB2 SER 29 HB2 SER 29 8.770 -3.907 2.579
232 HB3 SER 29 HB3 SER 29 10.470 -3.636 2.214
233 HG SER 29 HG SER 29 9.462 -5.856 1.953
234 H LYS 30 H LYS 30 11.878 -2.154 3.568
235 HA LYS 30 HA LYS 30 14.187 -3.786 4.223
236 HB2 LYS 30 HB2 LYS 30 13.829 -1.866 2.491
237 HB3 LYS 30 HB3 LYS 30 14.168 -0.791 3.848
238 HG2 LYS 30 HG2 LYS 30 16.335 -1.071 3.186
239 HG3 LYS 30 HG3 LYS 30 16.211 -2.558 4.124
240 HD2 LYS 30 HD2 LYS 30 15.157 -2.911 1.431
241 HD3 LYS 30 HD3 LYS 30 16.832 -2.359 1.400
242 HE2 LYS 30 HE2 LYS 30 17.539 -4.432 1.976
243 HE3 LYS 30 HE3 LYS 30 16.554 -4.372 3.451
244 HZ1 LYS 30 HZ1 LYS 30 15.597 -5.094 0.727
245 HZ2 LYS 30 HZ2 LYS 30 14.603 -4.942 2.099
246 HZ3 LYS 30 HZ3 LYS 30 15.787 -6.159 2.035
247 H GLN 31 H GLN 31 12.444 -1.150 5.868
248 HA GLN 31 HA GLN 31 14.321 -0.576 7.936
249 HB2 GLN 31 HB2 GLN 31 11.297 -0.496 7.760
250 HB3 GLN 31 HB3 GLN 31 12.186 0.155 9.136
251 HG2 GLN 31 HG2 GLN 31 13.480 1.189 6.858
252 HG3 GLN 31 HG3 GLN 31 11.755 1.333 6.524
253 HE21 GLN 31 HE21 GLN 31 14.374 2.563 8.496
254 HE22 GLN 31 HE22 GLN 31 13.453 3.709 9.342
255 H ALA 32 H ALA 32 11.934 -3.185 7.625
256 HA ALA 32 HA ALA 32 12.353 -4.127 10.388
257 HB1 ALA 32 HB1 ALA 32 10.751 -5.902 9.577
258 HB2 ALA 32 HB2 ALA 32 10.795 -5.135 7.990
259 HB3 ALA 32 HB3 ALA 32 10.155 -4.254 9.378
260 H GLN 33 H GLN 33 14.178 -4.432 7.574
261 HA GLN 33 HA GLN 33 14.983 -7.251 8.142
262 HB2 GLN 33 HB2 GLN 33 14.555 -5.677 5.824
263 HB3 GLN 33 HB3 GLN 33 16.286 -6.009 5.884
264 HG2 GLN 33 HG2 GLN 33 15.607 -8.454 6.376
265 HG3 GLN 33 HG3 GLN 33 14.003 -7.982 5.816
266 HE21 GLN 33 HE21 GLN 33 17.004 -9.156 4.744
267 HE22 GLN 33 HE22 GLN 33 16.837 -8.782 3.095
268 H ASP 34 H ASP 34 15.822 -4.906 9.867
269 HA ASP 34 HA ASP 34 18.745 -4.791 9.282
270 HB2 ASP 34 HB2 ASP 34 18.734 -2.862 10.727
271 HB3 ASP 34 HB3 ASP 34 17.328 -2.726 9.677
272 H ILE 35 H ILE 35 16.424 -5.974 11.686
273 HA ILE 35 HA ILE 35 18.692 -7.056 13.324
274 HB ILE 35 HB ILE 35 15.735 -6.709 13.965
275 HG12 ILE 35 HG12 ILE 35 16.793 -4.532 13.704
276 HG13 ILE 35 HG13 ILE 35 16.546 -4.837 15.419
277 HG21 ILE 35 HG21 ILE 35 16.937 -6.846 16.362
278 HG22 ILE 35 HG22 ILE 35 18.075 -7.828 15.441
279 HG23 ILE 35 HG23 ILE 35 16.374 -8.287 15.516
280 HD11 ILE 35 HD11 ILE 35 19.058 -4.535 13.915
281 HD12 ILE 35 HD12 ILE 35 19.042 -5.923 15.004
282 HD13 ILE 35 HD13 ILE 35 18.742 -4.304 15.635
283 H GLN 36 H GLN 36 18.269 -8.402 10.946
284 HA GLN 36 HA GLN 36 16.411 -10.655 11.431
285 HB2 GLN 36 HB2 GLN 36 16.886 -11.191 9.127
286 HB3 GLN 36 HB3 GLN 36 16.728 -9.437 9.224
287 HG2 GLN 36 HG2 GLN 36 19.411 -9.778 9.719
288 HG3 GLN 36 HG3 GLN 36 19.092 -11.080 8.574
289 HE21 GLN 36 HE21 GLN 36 20.416 -8.227 8.365
290 HE22 GLN 36 HE22 GLN 36 19.691 -7.583 6.972
291 HA PRO 37 HA PRO 37 19.564 -13.275 13.059
292 HB2 PRO 37 HB2 PRO 37 18.454 -15.714 12.509
293 HB3 PRO 37 HB3 PRO 37 17.854 -14.648 13.794
294 HG2 PRO 37 HG2 PRO 37 16.770 -15.125 11.070
295 HG3 PRO 37 HG3 PRO 37 15.915 -14.848 12.594
296 HD2 PRO 37 HD2 PRO 37 16.269 -12.939 10.658
297 HD3 PRO 37 HD3 PRO 37 16.007 -12.580 12.378
298 H ALA 38 H ALA 38 21.464 -13.312 11.885
299 HA ALA 38 HA ALA 38 21.504 -14.316 9.096
300 HB1 ALA 38 HB1 ALA 38 22.685 -12.245 9.796
301 HB2 ALA 38 HB2 ALA 38 23.816 -13.451 9.178
302 HB3 ALA 38 HB3 ALA 38 23.664 -13.194 10.917
303 H MET 39 H MET 39 22.936 -15.125 12.271
304 HA MET 39 HA MET 39 23.990 -17.682 11.155
305 HB2 MET 39 HB2 MET 39 25.271 -17.725 13.257
306 HB3 MET 39 HB3 MET 39 25.453 -16.158 12.473
307 HG2 MET 39 HG2 MET 39 24.152 -15.061 14.054
308 HG3 MET 39 HG3 MET 39 23.239 -16.512 14.464
309 HE1 MET 39 HE1 MET 39 24.976 -18.224 17.172
310 HE2 MET 39 HE2 MET 39 24.692 -18.740 15.512
311 HE3 MET 39 HE3 MET 39 23.482 -17.767 16.344
312 H GLN 40 H GLN 40 21.039 -16.976 11.962
313 HA GLN 40 HA GLN 40 20.613 -19.448 13.591
314 HB2 GLN 40 HB2 GLN 40 20.531 -17.059 14.739
315 HB3 GLN 40 HB3 GLN 40 18.934 -16.989 13.993
316 HG2 GLN 40 HG2 GLN 40 18.607 -17.917 16.176
317 HG3 GLN 40 HG3 GLN 40 18.481 -19.266 15.046
318 HE21 GLN 40 HE21 GLN 40 20.016 -20.964 15.236
319 HE22 GLN 40 HE22 GLN 40 21.291 -20.953 16.355
Start of MODEL 31
1 HA ALA 1 HA ALA 1 -26.986 2.364 -2.381
2 HB1 ALA 1 HB1 ALA 1 -27.321 3.750 -0.361
3 HB2 ALA 1 HB2 ALA 1 -26.662 2.171 0.071
4 HB3 ALA 1 HB3 ALA 1 -28.376 2.509 0.317
5 H SER 2 H SER 2 -26.250 0.179 -1.988
6 HA SER 2 HA SER 2 -28.268 -1.868 -1.235
7 HB2 SER 2 HB2 SER 2 -28.457 -1.394 -3.694
8 HB3 SER 2 HB3 SER 2 -26.768 -1.861 -3.877
9 HG SER 2 HG SER 2 -27.614 -3.782 -4.111
10 H ARG 3 H ARG 3 -27.199 -4.052 -1.029
11 HA ARG 3 HA ARG 3 -24.776 -3.967 0.476
12 HB2 ARG 3 HB2 ARG 3 -26.651 -5.711 0.389
13 HB3 ARG 3 HB3 ARG 3 -25.875 -6.329 -1.069
14 HG2 ARG 3 HG2 ARG 3 -24.191 -7.302 0.100
15 HG3 ARG 3 HG3 ARG 3 -24.012 -5.911 1.170
16 HD2 ARG 3 HD2 ARG 3 -24.782 -7.921 2.422
17 HD3 ARG 3 HD3 ARG 3 -26.017 -6.647 2.446
18 HE ARG 3 HE ARG 3 -27.266 -7.880 0.754
19 HH11 ARG 3 HH11 ARG 3 -26.720 -10.019 2.801
20 HH12 ARG 3 HH12 ARG 3 -26.128 -11.315 1.816
21 HH21 ARG 3 HH21 ARG 3 -25.495 -9.284 -0.933
22 HH22 ARG 3 HH22 ARG 3 -25.432 -10.897 -0.307
23 H ALA 4 H ALA 4 -25.339 -5.048 -2.900
24 HA ALA 4 HA ALA 4 -22.619 -5.645 -3.547
25 HB1 ALA 4 HB1 ALA 4 -25.003 -4.740 -5.194
26 HB2 ALA 4 HB2 ALA 4 -24.489 -6.401 -4.894
27 HB3 ALA 4 HB3 ALA 4 -23.503 -5.340 -5.902
28 H ALA 5 H ALA 5 -24.523 -2.641 -3.992
29 HA ALA 5 HA ALA 5 -22.533 -1.075 -5.293
30 HB1 ALA 5 HB1 ALA 5 -24.577 -0.097 -3.283
31 HB2 ALA 5 HB2 ALA 5 -25.025 -0.636 -4.902
32 HB3 ALA 5 HB3 ALA 5 -23.963 0.758 -4.698
33 H LEU 6 H LEU 6 -23.193 -1.540 -1.803
34 HA LEU 6 HA LEU 6 -21.309 0.329 -0.761
35 HB2 LEU 6 HB2 LEU 6 -23.152 -0.990 0.409
36 HB3 LEU 6 HB3 LEU 6 -22.057 -2.373 0.400
37 HG LEU 6 HG LEU 6 -20.778 0.073 1.389
38 HD11 LEU 6 HD11 LEU 6 -23.040 0.532 2.229
39 HD12 LEU 6 HD12 LEU 6 -21.978 0.071 3.561
40 HD13 LEU 6 HD13 LEU 6 -23.132 -1.093 2.910
41 HD21 LEU 6 HD21 LEU 6 -19.906 -2.277 1.558
42 HD22 LEU 6 HD22 LEU 6 -21.230 -2.645 2.664
43 HD23 LEU 6 HD23 LEU 6 -20.006 -1.458 3.117
44 H ILE 7 H ILE 7 -20.904 -3.164 -1.484
45 HA ILE 7 HA ILE 7 -18.121 -3.306 -0.750
46 HB ILE 7 HB ILE 7 -19.867 -4.938 -2.630
47 HG12 ILE 7 HG12 ILE 7 -20.677 -4.928 -0.321
48 HG13 ILE 7 HG13 ILE 7 -19.959 -6.497 -0.679
49 HG21 ILE 7 HG21 ILE 7 -18.037 -6.714 -1.908
50 HG22 ILE 7 HG22 ILE 7 -17.036 -5.277 -1.702
51 HG23 ILE 7 HG23 ILE 7 -17.749 -5.638 -3.275
52 HD11 ILE 7 HD11 ILE 7 -17.776 -5.157 0.250
53 HD12 ILE 7 HD12 ILE 7 -18.828 -6.138 1.270
54 HD13 ILE 7 HD13 ILE 7 -19.053 -4.391 1.195
55 H GLU 8 H GLU 8 -19.796 -2.587 -3.806
56 HA GLU 8 HA GLU 8 -17.536 -2.603 -5.558
57 HB2 GLU 8 HB2 GLU 8 -20.063 -2.508 -6.030
58 HB3 GLU 8 HB3 GLU 8 -19.947 -0.776 -5.718
59 HG2 GLU 8 HG2 GLU 8 -17.833 -1.262 -7.460
60 HG3 GLU 8 HG3 GLU 8 -19.122 -2.296 -8.077
61 H GLU 9 H GLU 9 -18.997 0.046 -3.632
62 HA GLU 9 HA GLU 9 -17.242 2.142 -4.503
63 HB2 GLU 9 HB2 GLU 9 -19.463 2.205 -3.193
64 HB3 GLU 9 HB3 GLU 9 -18.496 1.855 -1.760
65 HG2 GLU 9 HG2 GLU 9 -18.436 4.161 -1.686
66 HG3 GLU 9 HG3 GLU 9 -17.031 3.879 -2.715
67 H GLY 10 H GLY 10 -17.078 -0.056 -1.675
68 HA2 GLY 10 HA2 GLY 10 -14.614 0.988 -0.632
69 HA3 GLY 10 HA3 GLY 10 -15.280 -0.603 -0.264
70 H GLN 11 H GLN 11 -15.349 -1.671 -2.888
71 HA GLN 11 HA GLN 11 -12.728 -2.731 -3.202
72 HB2 GLN 11 HB2 GLN 11 -15.258 -2.574 -4.794
73 HB3 GLN 11 HB3 GLN 11 -13.805 -3.142 -5.617
74 HG2 GLN 11 HG2 GLN 11 -14.348 -4.303 -2.931
75 HG3 GLN 11 HG3 GLN 11 -15.424 -4.799 -4.238
76 HE21 GLN 11 HE21 GLN 11 -14.640 -6.412 -5.628
77 HE22 GLN 11 HE22 GLN 11 -13.021 -6.913 -5.701
78 H ARG 12 H ARG 12 -14.289 0.072 -4.748
79 HA ARG 12 HA ARG 12 -12.285 0.602 -6.731
80 HB2 ARG 12 HB2 ARG 12 -14.361 2.235 -5.257
81 HB3 ARG 12 HB3 ARG 12 -13.319 2.969 -6.474
82 HG2 ARG 12 HG2 ARG 12 -14.204 1.658 -8.211
83 HG3 ARG 12 HG3 ARG 12 -14.835 0.444 -7.100
84 HD2 ARG 12 HD2 ARG 12 -16.836 1.512 -7.311
85 HD3 ARG 12 HD3 ARG 12 -16.130 2.790 -6.304
86 HE ARG 12 HE ARG 12 -15.230 3.184 -8.982
87 HH11 ARG 12 HH11 ARG 12 -18.053 2.508 -9.631
88 HH12 ARG 12 HH12 ARG 12 -18.851 4.039 -9.484
89 HH21 ARG 12 HH21 ARG 12 -16.267 5.510 -7.682
90 HH22 ARG 12 HH22 ARG 12 -17.835 5.747 -8.377
91 H ILE 13 H ILE 13 -12.693 1.833 -3.391
92 HA ILE 13 HA ILE 13 -10.216 3.401 -3.502
93 HB ILE 13 HB ILE 13 -12.155 2.622 -1.298
94 HG12 ILE 13 HG12 ILE 13 -11.761 5.391 -2.386
95 HG13 ILE 13 HG13 ILE 13 -12.703 4.238 -3.331
96 HG21 ILE 13 HG21 ILE 13 -10.240 3.125 -0.062
97 HG22 ILE 13 HG22 ILE 13 -10.975 4.721 -0.220
98 HG23 ILE 13 HG23 ILE 13 -9.636 4.260 -1.270
99 HD11 ILE 13 HD11 ILE 13 -14.040 5.665 -1.696
100 HD12 ILE 13 HD12 ILE 13 -13.242 4.770 -0.401
101 HD13 ILE 13 HD13 ILE 13 -14.274 3.922 -1.553
102 H ALA 14 H ALA 14 -11.262 0.360 -1.910
103 HA ALA 14 HA ALA 14 -8.835 -0.205 -0.520
104 HB1 ALA 14 HB1 ALA 14 -10.906 -2.054 -1.749
105 HB2 ALA 14 HB2 ALA 14 -11.002 -1.319 -0.149
106 HB3 ALA 14 HB3 ALA 14 -9.750 -2.512 -0.498
107 H GLU 15 H GLU 15 -9.892 -1.245 -3.793
108 HA GLU 15 HA GLU 15 -7.499 -2.747 -4.384
109 HB2 GLU 15 HB2 GLU 15 -9.830 -2.822 -5.451
110 HB3 GLU 15 HB3 GLU 15 -9.358 -1.374 -6.341
111 HG2 GLU 15 HG2 GLU 15 -7.189 -3.047 -6.724
112 HG3 GLU 15 HG3 GLU 15 -8.552 -4.167 -6.756
113 H MET 16 H MET 16 -8.522 0.580 -5.280
114 HA MET 16 HA MET 16 -6.158 1.267 -6.752
115 HB2 MET 16 HB2 MET 16 -8.462 2.400 -6.623
116 HB3 MET 16 HB3 MET 16 -7.888 3.150 -5.133
117 HG2 MET 16 HG2 MET 16 -5.801 3.531 -6.964
118 HG3 MET 16 HG3 MET 16 -7.269 3.836 -7.892
119 HE1 MET 16 HE1 MET 16 -7.856 6.133 -8.218
120 HE2 MET 16 HE2 MET 16 -8.534 7.080 -6.895
121 HE3 MET 16 HE3 MET 16 -9.142 5.456 -7.209
122 H LEU 17 H LEU 17 -6.946 1.464 -3.288
123 HA LEU 17 HA LEU 17 -4.483 2.904 -2.606
124 HB2 LEU 17 HB2 LEU 17 -6.731 3.020 -1.420
125 HB3 LEU 17 HB3 LEU 17 -6.412 1.391 -0.822
126 HG LEU 17 HG LEU 17 -4.079 2.586 -0.141
127 HD11 LEU 17 HD11 LEU 17 -6.208 4.736 0.092
128 HD12 LEU 17 HD12 LEU 17 -4.826 4.783 -1.003
129 HD13 LEU 17 HD13 LEU 17 -4.572 4.831 0.742
130 HD21 LEU 17 HD21 LEU 17 -5.634 1.308 1.330
131 HD22 LEU 17 HD22 LEU 17 -6.644 2.747 1.476
132 HD23 LEU 17 HD23 LEU 17 -5.003 2.751 2.122
133 H LYS 18 H LYS 18 -5.594 -0.440 -2.688
134 HA LYS 18 HA LYS 18 -3.647 -1.730 -1.095
135 HB2 LYS 18 HB2 LYS 18 -5.683 -2.727 -2.152
136 HB3 LYS 18 HB3 LYS 18 -4.874 -2.653 -3.717
137 HG2 LYS 18 HG2 LYS 18 -4.350 -4.822 -3.095
138 HG3 LYS 18 HG3 LYS 18 -2.968 -3.966 -2.410
139 HD2 LYS 18 HD2 LYS 18 -4.075 -3.870 -0.227
140 HD3 LYS 18 HD3 LYS 18 -5.504 -4.656 -0.897
141 HE2 LYS 18 HE2 LYS 18 -3.716 -6.502 -1.628
142 HE3 LYS 18 HE3 LYS 18 -2.830 -5.835 -0.242
143 HZ1 LYS 18 HZ1 LYS 18 -4.871 -6.049 1.082
144 HZ2 LYS 18 HZ2 LYS 18 -4.334 -7.556 0.509
145 HZ3 LYS 18 HZ3 LYS 18 -5.651 -6.781 -0.234
146 H SER 19 H SER 19 -3.474 -0.888 -4.580
147 HA SER 19 HA SER 19 -0.887 -2.002 -5.089
148 HB2 SER 19 HB2 SER 19 -0.967 -0.398 -7.030
149 HB3 SER 19 HB3 SER 19 -2.436 -1.352 -6.849
150 HG SER 19 HG SER 19 -3.500 0.420 -6.446
151 H LYS 20 H LYS 20 -1.874 1.211 -3.895
152 HA LYS 20 HA LYS 20 0.754 2.407 -3.960
153 HB2 LYS 20 HB2 LYS 20 -1.877 2.940 -2.584
154 HB3 LYS 20 HB3 LYS 20 -0.465 3.933 -2.220
155 HG2 LYS 20 HG2 LYS 20 -0.299 4.723 -4.442
156 HG3 LYS 20 HG3 LYS 20 -1.320 3.430 -5.069
157 HD2 LYS 20 HD2 LYS 20 -3.265 4.377 -3.887
158 HD3 LYS 20 HD3 LYS 20 -2.249 5.667 -3.243
159 HE2 LYS 20 HE2 LYS 20 -3.157 6.725 -5.125
160 HE3 LYS 20 HE3 LYS 20 -1.676 6.042 -5.823
161 HZ1 LYS 20 HZ1 LYS 20 -4.344 4.726 -5.786
162 HZ2 LYS 20 HZ2 LYS 20 -2.922 4.051 -6.427
163 HZ3 LYS 20 HZ3 LYS 20 -3.611 5.427 -7.145
164 H ILE 21 H ILE 21 -1.081 0.690 -1.411
165 HA ILE 21 HA ILE 21 0.841 1.083 0.695
166 HB ILE 21 HB ILE 21 -1.244 -1.067 0.194
167 HG12 ILE 21 HG12 ILE 21 -2.165 1.221 0.294
168 HG13 ILE 21 HG13 ILE 21 -2.632 0.302 1.722
169 HG21 ILE 21 HG21 ILE 21 0.106 -1.994 1.876
170 HG22 ILE 21 HG22 ILE 21 -1.122 -1.132 2.802
171 HG23 ILE 21 HG23 ILE 21 0.476 -0.420 2.580
172 HD11 ILE 21 HD11 ILE 21 -1.907 2.253 2.733
173 HD12 ILE 21 HD12 ILE 21 -0.713 2.584 1.479
174 HD13 ILE 21 HD13 ILE 21 -0.390 1.355 2.702
175 H GLN 22 H GLN 22 0.571 -1.294 -1.896
176 HA GLN 22 HA GLN 22 2.356 -3.299 -0.951
177 HB2 GLN 22 HB2 GLN 22 1.015 -2.507 -3.374
178 HB3 GLN 22 HB3 GLN 22 2.679 -2.938 -3.765
179 HG2 GLN 22 HG2 GLN 22 2.389 -5.136 -3.193
180 HG3 GLN 22 HG3 GLN 22 1.266 -4.758 -1.888
181 HE21 GLN 22 HE21 GLN 22 -0.996 -4.731 -2.377
182 HE22 GLN 22 HE22 GLN 22 -1.614 -5.120 -3.910
183 H GLY 23 H GLY 23 3.058 -0.431 -2.996
184 HA2 GLY 23 HA2 GLY 23 5.916 -0.841 -2.996
185 HA3 GLY 23 HA3 GLY 23 5.095 0.652 -3.453
186 H LEU 24 H LEU 24 3.707 1.092 -0.981
187 HA LEU 24 HA LEU 24 5.690 2.507 0.533
188 HB2 LEU 24 HB2 LEU 24 2.816 1.693 0.863
189 HB3 LEU 24 HB3 LEU 24 3.659 2.409 2.237
190 HG LEU 24 HG LEU 24 3.656 3.691 -0.503
191 HD11 LEU 24 HD11 LEU 24 1.323 3.406 0.435
192 HD12 LEU 24 HD12 LEU 24 1.817 5.083 0.204
193 HD13 LEU 24 HD13 LEU 24 1.832 4.374 1.819
194 HD21 LEU 24 HD21 LEU 24 4.183 4.742 2.298
195 HD22 LEU 24 HD22 LEU 24 4.249 5.699 0.819
196 HD23 LEU 24 HD23 LEU 24 5.414 4.402 1.081
197 H LEU 25 H LEU 25 4.086 -0.645 1.093
198 HA LEU 25 HA LEU 25 5.313 -1.181 3.643
199 HB2 LEU 25 HB2 LEU 25 3.295 -2.245 2.296
200 HB3 LEU 25 HB3 LEU 25 4.546 -3.329 1.687
201 HG LEU 25 HG LEU 25 5.199 -3.544 4.227
202 HD11 LEU 25 HD11 LEU 25 2.272 -2.757 4.395
203 HD12 LEU 25 HD12 LEU 25 3.618 -1.762 4.955
204 HD13 LEU 25 HD13 LEU 25 3.280 -3.310 5.732
205 HD21 LEU 25 HD21 LEU 25 2.773 -4.812 2.924
206 HD22 LEU 25 HD22 LEU 25 3.460 -5.384 4.443
207 HD23 LEU 25 HD23 LEU 25 4.419 -5.442 2.965
208 H GLN 26 H GLN 26 6.278 -1.936 0.288
209 HA GLN 26 HA GLN 26 8.512 -3.630 0.896
210 HB2 GLN 26 HB2 GLN 26 7.275 -3.146 -1.317
211 HB3 GLN 26 HB3 GLN 26 8.293 -1.710 -1.433
212 HG2 GLN 26 HG2 GLN 26 10.032 -3.837 -0.770
213 HG3 GLN 26 HG3 GLN 26 8.963 -4.458 -2.029
214 HE21 GLN 26 HE21 GLN 26 11.222 -1.771 -1.294
215 HE22 GLN 26 HE22 GLN 26 11.542 -1.393 -2.919
216 H GLN 27 H GLN 27 8.236 -0.089 0.541
217 HA GLN 27 HA GLN 27 11.074 0.438 0.822
218 HB2 GLN 27 HB2 GLN 27 8.519 2.039 1.012
219 HB3 GLN 27 HB3 GLN 27 10.090 2.788 1.297
220 HG2 GLN 27 HG2 GLN 27 10.836 1.901 -0.941
221 HG3 GLN 27 HG3 GLN 27 9.176 1.378 -1.226
222 HE21 GLN 27 HE21 GLN 27 7.506 3.085 -1.430
223 HE22 GLN 27 HE22 GLN 27 7.954 4.680 -1.801
224 H ALA 28 H ALA 28 8.448 -0.085 3.070
225 HA ALA 28 HA ALA 28 9.841 1.039 5.391
226 HB1 ALA 28 HB1 ALA 28 7.435 -0.799 5.234
227 HB2 ALA 28 HB2 ALA 28 7.342 0.949 5.014
228 HB3 ALA 28 HB3 ALA 28 7.857 0.281 6.563
229 H SER 29 H SER 29 9.708 -2.035 3.757
230 HA SER 29 HA SER 29 10.346 -3.831 5.875
231 HB2 SER 29 HB2 SER 29 10.999 -3.782 2.915
232 HB3 SER 29 HB3 SER 29 11.305 -5.179 3.943
233 HG SER 29 HG SER 29 9.248 -5.614 3.908
234 H LYS 30 H LYS 30 12.560 -2.126 3.606
235 HA LYS 30 HA LYS 30 14.982 -3.066 4.837
236 HB2 LYS 30 HB2 LYS 30 16.033 -1.492 3.369
237 HB3 LYS 30 HB3 LYS 30 14.593 -2.045 2.520
238 HG2 LYS 30 HG2 LYS 30 14.265 0.205 2.234
239 HG3 LYS 30 HG3 LYS 30 13.540 0.070 3.835
240 HD2 LYS 30 HD2 LYS 30 15.031 1.704 4.390
241 HD3 LYS 30 HD3 LYS 30 16.177 0.369 4.490
242 HE2 LYS 30 HE2 LYS 30 17.378 1.564 2.951
243 HE3 LYS 30 HE3 LYS 30 16.194 0.947 1.782
244 HZ1 LYS 30 HZ1 LYS 30 16.207 3.328 1.652
245 HZ2 LYS 30 HZ2 LYS 30 16.015 3.478 3.334
246 HZ3 LYS 30 HZ3 LYS 30 14.752 2.852 2.383
247 H GLN 31 H GLN 31 12.781 -0.451 5.672
248 HA GLN 31 HA GLN 31 14.671 1.010 7.353
249 HB2 GLN 31 HB2 GLN 31 12.499 1.786 6.156
250 HB3 GLN 31 HB3 GLN 31 11.654 1.065 7.529
251 HG2 GLN 31 HG2 GLN 31 13.150 2.457 9.040
252 HG3 GLN 31 HG3 GLN 31 13.690 3.307 7.591
253 HE21 GLN 31 HE21 GLN 31 11.116 3.061 9.919
254 HE22 GLN 31 HE22 GLN 31 10.082 4.199 9.202
255 H ALA 32 H ALA 32 12.236 -1.531 7.874
256 HA ALA 32 HA ALA 32 12.305 -1.451 10.770
257 HB1 ALA 32 HB1 ALA 32 10.492 -2.399 9.318
258 HB2 ALA 32 HB2 ALA 32 11.055 -3.542 10.538
259 HB3 ALA 32 HB3 ALA 32 11.586 -3.705 8.864
260 H GLN 33 H GLN 33 13.976 -3.441 8.313
261 HA GLN 33 HA GLN 33 15.500 -4.933 10.343
262 HB2 GLN 33 HB2 GLN 33 14.594 -5.523 7.891
263 HB3 GLN 33 HB3 GLN 33 16.175 -4.900 7.423
264 HG2 GLN 33 HG2 GLN 33 17.005 -6.937 7.920
265 HG3 GLN 33 HG3 GLN 33 16.712 -6.551 9.615
266 HE21 GLN 33 HE21 GLN 33 14.863 -7.785 6.751
267 HE22 GLN 33 HE22 GLN 33 13.936 -8.885 7.652
268 H ASP 34 H ASP 34 16.270 -2.563 7.762
269 HA ASP 34 HA ASP 34 18.079 -1.088 7.491
270 HB2 ASP 34 HB2 ASP 34 17.160 -1.060 10.182
271 HB3 ASP 34 HB3 ASP 34 18.919 -0.949 10.243
272 H ILE 35 H ILE 35 18.642 -4.013 7.390
273 HA ILE 35 HA ILE 35 21.586 -3.847 7.789
274 HB ILE 35 HB ILE 35 21.449 -6.175 8.848
275 HG12 ILE 35 HG12 ILE 35 18.656 -5.518 9.675
276 HG13 ILE 35 HG13 ILE 35 18.882 -6.200 8.064
277 HG21 ILE 35 HG21 ILE 35 21.827 -4.022 10.108
278 HG22 ILE 35 HG22 ILE 35 21.071 -5.299 11.061
279 HG23 ILE 35 HG23 ILE 35 20.093 -3.975 10.427
280 HD11 ILE 35 HD11 ILE 35 18.513 -7.989 9.714
281 HD12 ILE 35 HD12 ILE 35 19.889 -7.412 10.655
282 HD13 ILE 35 HD13 ILE 35 20.141 -8.088 9.046
283 H GLN 36 H GLN 36 21.013 -3.654 5.334
284 HA GLN 36 HA GLN 36 20.191 -6.124 3.981
285 HB2 GLN 36 HB2 GLN 36 21.258 -3.430 3.084
286 HB3 GLN 36 HB3 GLN 36 20.768 -4.695 1.957
287 HG2 GLN 36 HG2 GLN 36 18.816 -4.036 4.099
288 HG3 GLN 36 HG3 GLN 36 19.064 -2.797 2.870
289 HE21 GLN 36 HE21 GLN 36 17.413 -3.024 1.341
290 HE22 GLN 36 HE22 GLN 36 16.898 -4.503 0.685
291 HA PRO 37 HA PRO 37 24.395 -7.648 3.973
292 HB2 PRO 37 HB2 PRO 37 23.854 -10.015 2.716
293 HB3 PRO 37 HB3 PRO 37 23.505 -9.733 4.433
294 HG2 PRO 37 HG2 PRO 37 21.669 -9.737 2.105
295 HG3 PRO 37 HG3 PRO 37 21.388 -10.267 3.769
296 HD2 PRO 37 HD2 PRO 37 20.518 -7.872 2.714
297 HD3 PRO 37 HD3 PRO 37 20.746 -8.197 4.445
298 H ALA 38 H ALA 38 26.023 -7.990 2.332
299 HA ALA 38 HA ALA 38 25.378 -6.744 -0.274
300 HB1 ALA 38 HB1 ALA 38 27.347 -6.133 1.157
301 HB2 ALA 38 HB2 ALA 38 27.807 -6.634 -0.470
302 HB3 ALA 38 HB3 ALA 38 27.999 -7.748 0.883
303 H MET 39 H MET 39 25.221 -9.882 0.869
304 HA MET 39 HA MET 39 26.294 -11.130 -1.619
305 HB2 MET 39 HB2 MET 39 26.780 -11.833 0.847
306 HB3 MET 39 HB3 MET 39 25.165 -12.542 0.798
307 HG2 MET 39 HG2 MET 39 25.789 -13.910 -1.132
308 HG3 MET 39 HG3 MET 39 27.382 -13.154 -1.180
309 HE1 MET 39 HE1 MET 39 25.609 -16.222 -0.264
310 HE2 MET 39 HE2 MET 39 27.082 -17.032 0.263
311 HE3 MET 39 HE3 MET 39 27.079 -16.116 -1.243
312 H GLN 40 H GLN 40 23.334 -11.165 0.416
313 HA GLN 40 HA GLN 40 21.799 -12.244 -1.913
314 HB2 GLN 40 HB2 GLN 40 21.831 -13.407 0.327
315 HB3 GLN 40 HB3 GLN 40 21.041 -11.988 1.016
316 HG2 GLN 40 HG2 GLN 40 19.673 -12.890 -1.389
317 HG3 GLN 40 HG3 GLN 40 19.771 -14.177 -0.187
318 HE21 GLN 40 HE21 GLN 40 18.501 -10.909 -0.782
319 HE22 GLN 40 HE22 GLN 40 17.467 -10.886 0.563
Start of MODEL 32
1 HA ALA 1 HA ALA 1 -28.708 -1.979 2.830
2 HB1 ALA 1 HB1 ALA 1 -28.787 -1.059 5.130
3 HB2 ALA 1 HB2 ALA 1 -27.139 -1.493 4.680
4 HB3 ALA 1 HB3 ALA 1 -28.067 -2.547 5.746
5 H SER 2 H SER 2 -26.707 -2.814 2.031
6 HA SER 2 HA SER 2 -26.024 -5.625 2.823
7 HB2 SER 2 HB2 SER 2 -27.426 -5.324 0.691
8 HB3 SER 2 HB3 SER 2 -26.004 -4.553 -0.008
9 HG SER 2 HG SER 2 -25.735 -6.648 -0.496
10 H ARG 3 H ARG 3 -23.844 -5.909 3.153
11 HA ARG 3 HA ARG 3 -22.020 -3.670 3.075
12 HB2 ARG 3 HB2 ARG 3 -20.419 -5.320 3.871
13 HB3 ARG 3 HB3 ARG 3 -21.972 -5.649 4.635
14 HG2 ARG 3 HG2 ARG 3 -22.388 -7.298 2.703
15 HG3 ARG 3 HG3 ARG 3 -20.668 -7.133 2.346
16 HD2 ARG 3 HD2 ARG 3 -20.182 -7.781 4.741
17 HD3 ARG 3 HD3 ARG 3 -21.910 -8.143 4.926
18 HE ARG 3 HE ARG 3 -20.673 -9.391 2.573
19 HH11 ARG 3 HH11 ARG 3 -19.212 -10.410 5.008
20 HH12 ARG 3 HH12 ARG 3 -20.162 -11.792 5.439
21 HH21 ARG 3 HH21 ARG 3 -22.892 -10.841 3.505
22 HH22 ARG 3 HH22 ARG 3 -22.254 -12.038 4.583
23 H ALA 4 H ALA 4 -22.672 -6.354 0.842
24 HA ALA 4 HA ALA 4 -20.394 -6.277 -0.816
25 HB1 ALA 4 HB1 ALA 4 -23.334 -6.710 -1.418
26 HB2 ALA 4 HB2 ALA 4 -22.138 -7.944 -1.026
27 HB3 ALA 4 HB3 ALA 4 -22.044 -7.080 -2.561
28 H ALA 5 H ALA 5 -23.384 -4.316 -1.107
29 HA ALA 5 HA ALA 5 -22.724 -2.823 -3.416
30 HB1 ALA 5 HB1 ALA 5 -24.220 -2.029 -0.894
31 HB2 ALA 5 HB2 ALA 5 -24.914 -2.827 -2.306
32 HB3 ALA 5 HB3 ALA 5 -24.319 -1.172 -2.432
33 H LEU 6 H LEU 6 -21.947 -2.119 0.011
34 HA LEU 6 HA LEU 6 -20.594 0.371 -0.445
35 HB2 LEU 6 HB2 LEU 6 -21.066 -1.567 1.688
36 HB3 LEU 6 HB3 LEU 6 -19.443 -0.886 1.790
37 HG LEU 6 HG LEU 6 -21.132 0.447 3.060
38 HD11 LEU 6 HD11 LEU 6 -19.052 1.425 1.924
39 HD12 LEU 6 HD12 LEU 6 -20.331 2.567 2.336
40 HD13 LEU 6 HD13 LEU 6 -20.145 2.015 0.671
41 HD21 LEU 6 HD21 LEU 6 -22.977 1.441 2.047
42 HD22 LEU 6 HD22 LEU 6 -22.892 -0.075 1.152
43 HD23 LEU 6 HD23 LEU 6 -22.247 1.406 0.442
44 H ILE 7 H ILE 7 -19.446 -3.005 -0.397
45 HA ILE 7 HA ILE 7 -16.631 -2.372 -0.685
46 HB ILE 7 HB ILE 7 -18.275 -4.854 -1.300
47 HG12 ILE 7 HG12 ILE 7 -16.481 -4.516 1.084
48 HG13 ILE 7 HG13 ILE 7 -18.074 -3.762 1.113
49 HG21 ILE 7 HG21 ILE 7 -15.288 -4.397 -1.103
50 HG22 ILE 7 HG22 ILE 7 -16.189 -5.089 -2.452
51 HG23 ILE 7 HG23 ILE 7 -16.018 -5.995 -0.948
52 HD11 ILE 7 HD11 ILE 7 -17.486 -6.699 0.641
53 HD12 ILE 7 HD12 ILE 7 -19.089 -5.969 0.540
54 HD13 ILE 7 HD13 ILE 7 -18.228 -5.997 2.080
55 H GLU 8 H GLU 8 -19.266 -3.082 -2.980
56 HA GLU 8 HA GLU 8 -17.812 -3.422 -5.374
57 HB2 GLU 8 HB2 GLU 8 -20.504 -2.399 -4.564
58 HB3 GLU 8 HB3 GLU 8 -20.011 -2.158 -6.241
59 HG2 GLU 8 HG2 GLU 8 -20.077 -4.395 -6.726
60 HG3 GLU 8 HG3 GLU 8 -19.509 -4.862 -5.123
61 H GLU 9 H GLU 9 -18.941 -0.356 -3.893
62 HA GLU 9 HA GLU 9 -17.575 1.256 -5.947
63 HB2 GLU 9 HB2 GLU 9 -19.246 1.748 -3.485
64 HB3 GLU 9 HB3 GLU 9 -18.408 3.083 -4.278
65 HG2 GLU 9 HG2 GLU 9 -19.499 2.065 -6.459
66 HG3 GLU 9 HG3 GLU 9 -20.644 1.372 -5.310
67 H GLY 10 H GLY 10 -17.091 0.375 -2.528
68 HA2 GLY 10 HA2 GLY 10 -14.891 2.128 -2.009
69 HA3 GLY 10 HA3 GLY 10 -15.227 0.641 -1.125
70 H GLN 11 H GLN 11 -15.049 -1.134 -3.421
71 HA GLN 11 HA GLN 11 -12.271 -1.762 -3.405
72 HB2 GLN 11 HB2 GLN 11 -14.389 -3.133 -4.032
73 HB3 GLN 11 HB3 GLN 11 -14.168 -2.458 -5.647
74 HG2 GLN 11 HG2 GLN 11 -12.457 -3.861 -6.085
75 HG3 GLN 11 HG3 GLN 11 -11.656 -3.457 -4.565
76 HE21 GLN 11 HE21 GLN 11 -14.257 -5.532 -5.921
77 HE22 GLN 11 HE22 GLN 11 -14.159 -6.712 -4.705
78 H ARG 12 H ARG 12 -14.197 0.147 -5.737
79 HA ARG 12 HA ARG 12 -12.311 0.447 -7.820
80 HB2 ARG 12 HB2 ARG 12 -14.554 2.058 -6.658
81 HB3 ARG 12 HB3 ARG 12 -13.531 2.824 -7.870
82 HG2 ARG 12 HG2 ARG 12 -14.859 0.127 -8.261
83 HG3 ARG 12 HG3 ARG 12 -15.554 1.647 -8.819
84 HD2 ARG 12 HD2 ARG 12 -12.811 0.614 -9.637
85 HD3 ARG 12 HD3 ARG 12 -14.275 0.504 -10.631
86 HE ARG 12 HE ARG 12 -12.874 3.026 -9.902
87 HH11 ARG 12 HH11 ARG 12 -15.765 3.577 -9.854
88 HH12 ARG 12 HH12 ARG 12 -16.123 3.950 -11.508
89 HH21 ARG 12 HH21 ARG 12 -13.188 2.540 -12.731
90 HH22 ARG 12 HH22 ARG 12 -14.658 3.357 -13.144
91 H ILE 13 H ILE 13 -12.631 2.327 -4.797
92 HA ILE 13 HA ILE 13 -10.242 3.949 -5.443
93 HB ILE 13 HB ILE 13 -12.159 3.801 -3.090
94 HG12 ILE 13 HG12 ILE 13 -12.181 6.306 -4.450
95 HG13 ILE 13 HG13 ILE 13 -12.263 5.046 -5.683
96 HG21 ILE 13 HG21 ILE 13 -10.177 4.668 -2.141
97 HG22 ILE 13 HG22 ILE 13 -11.079 6.110 -2.605
98 HG23 ILE 13 HG23 ILE 13 -9.749 5.540 -3.613
99 HD11 ILE 13 HD11 ILE 13 -14.056 5.185 -3.240
100 HD12 ILE 13 HD12 ILE 13 -14.169 4.015 -4.556
101 HD13 ILE 13 HD13 ILE 13 -14.518 5.717 -4.857
102 H ALA 14 H ALA 14 -11.216 1.361 -3.185
103 HA ALA 14 HA ALA 14 -8.855 1.283 -1.579
104 HB1 ALA 14 HB1 ALA 14 -10.704 -0.968 -2.430
105 HB2 ALA 14 HB2 ALA 14 -11.042 0.173 -1.129
106 HB3 ALA 14 HB3 ALA 14 -9.687 -0.946 -0.989
107 H GLU 15 H GLU 15 -9.645 -0.495 -4.605
108 HA GLU 15 HA GLU 15 -7.362 -2.156 -4.760
109 HB2 GLU 15 HB2 GLU 15 -9.556 -1.706 -6.264
110 HB3 GLU 15 HB3 GLU 15 -8.369 -0.853 -7.248
111 HG2 GLU 15 HG2 GLU 15 -7.228 -2.777 -7.787
112 HG3 GLU 15 HG3 GLU 15 -7.602 -3.555 -6.249
113 H MET 16 H MET 16 -7.756 1.196 -5.975
114 HA MET 16 HA MET 16 -5.114 1.458 -7.076
115 HB2 MET 16 HB2 MET 16 -7.193 2.888 -7.447
116 HB3 MET 16 HB3 MET 16 -6.864 3.628 -5.880
117 HG2 MET 16 HG2 MET 16 -4.510 3.523 -7.637
118 HG3 MET 16 HG3 MET 16 -5.829 4.494 -8.289
119 HE1 MET 16 HE1 MET 16 -4.057 7.495 -6.978
120 HE2 MET 16 HE2 MET 16 -5.039 6.744 -8.232
121 HE3 MET 16 HE3 MET 16 -3.421 6.130 -7.906
122 H LEU 17 H LEU 17 -6.457 2.255 -3.859
123 HA LEU 17 HA LEU 17 -4.024 3.384 -2.790
124 HB2 LEU 17 HB2 LEU 17 -6.606 2.281 -1.690
125 HB3 LEU 17 HB3 LEU 17 -5.321 2.799 -0.599
126 HG LEU 17 HG LEU 17 -6.355 4.582 -2.812
127 HD11 LEU 17 HD11 LEU 17 -7.256 4.607 0.082
128 HD12 LEU 17 HD12 LEU 17 -8.195 3.880 -1.222
129 HD13 LEU 17 HD13 LEU 17 -7.862 5.612 -1.235
130 HD21 LEU 17 HD21 LEU 17 -4.958 5.173 -0.182
131 HD22 LEU 17 HD22 LEU 17 -5.350 6.341 -1.444
132 HD23 LEU 17 HD23 LEU 17 -4.149 5.087 -1.746
133 H LYS 18 H LYS 18 -5.434 0.124 -2.726
134 HA LYS 18 HA LYS 18 -3.531 -1.078 -0.945
135 HB2 LYS 18 HB2 LYS 18 -5.854 -1.823 -2.076
136 HB3 LYS 18 HB3 LYS 18 -4.750 -2.641 -3.181
137 HG2 LYS 18 HG2 LYS 18 -4.303 -2.897 -0.224
138 HG3 LYS 18 HG3 LYS 18 -5.569 -3.860 -0.984
139 HD2 LYS 18 HD2 LYS 18 -3.825 -4.616 -2.674
140 HD3 LYS 18 HD3 LYS 18 -2.613 -3.854 -1.643
141 HE2 LYS 18 HE2 LYS 18 -2.946 -5.384 0.109
142 HE3 LYS 18 HE3 LYS 18 -4.570 -5.821 -0.456
143 HZ1 LYS 18 HZ1 LYS 18 -3.535 -6.747 -2.476
144 HZ2 LYS 18 HZ2 LYS 18 -3.029 -7.552 -1.069
145 HZ3 LYS 18 HZ3 LYS 18 -1.998 -6.432 -1.826
146 H SER 19 H SER 19 -3.512 -0.591 -4.482
147 HA SER 19 HA SER 19 -1.206 -2.216 -5.053
148 HB2 SER 19 HB2 SER 19 -2.920 -1.255 -6.658
149 HB3 SER 19 HB3 SER 19 -2.145 0.312 -6.448
150 HG SER 19 HG SER 19 -0.162 -0.797 -7.108
151 H LYS 20 H LYS 20 -1.597 1.183 -4.087
152 HA LYS 20 HA LYS 20 1.250 1.817 -4.325
153 HB2 LYS 20 HB2 LYS 20 -1.280 3.129 -3.378
154 HB3 LYS 20 HB3 LYS 20 0.264 3.845 -2.914
155 HG2 LYS 20 HG2 LYS 20 0.865 3.634 -5.438
156 HG3 LYS 20 HG3 LYS 20 -0.873 3.451 -5.678
157 HD2 LYS 20 HD2 LYS 20 0.104 5.713 -3.971
158 HD3 LYS 20 HD3 LYS 20 0.249 5.855 -5.722
159 HE2 LYS 20 HE2 LYS 20 -2.116 5.625 -6.040
160 HE3 LYS 20 HE3 LYS 20 -2.356 5.096 -4.363
161 HZ1 LYS 20 HZ1 LYS 20 -2.837 7.497 -4.740
162 HZ2 LYS 20 HZ2 LYS 20 -1.197 7.728 -5.117
163 HZ3 LYS 20 HZ3 LYS 20 -1.651 7.212 -3.562
164 H ILE 21 H ILE 21 -1.006 1.058 -1.648
165 HA ILE 21 HA ILE 21 0.896 1.484 0.467
166 HB ILE 21 HB ILE 21 -1.727 1.259 0.416
167 HG12 ILE 21 HG12 ILE 21 -1.444 0.198 2.869
168 HG13 ILE 21 HG13 ILE 21 0.252 0.544 2.530
169 HG21 ILE 21 HG21 ILE 21 -0.920 -1.587 1.080
170 HG22 ILE 21 HG22 ILE 21 -1.673 -1.092 -0.435
171 HG23 ILE 21 HG23 ILE 21 -2.556 -0.925 1.082
172 HD11 ILE 21 HD11 ILE 21 -0.673 2.880 1.754
173 HD12 ILE 21 HD12 ILE 21 -0.451 2.558 3.474
174 HD13 ILE 21 HD13 ILE 21 -2.058 2.450 2.756
175 H GLN 22 H GLN 22 0.184 -1.323 -1.562
176 HA GLN 22 HA GLN 22 1.562 -3.298 0.016
177 HB2 GLN 22 HB2 GLN 22 -0.068 -3.615 -1.919
178 HB3 GLN 22 HB3 GLN 22 1.261 -3.196 -3.001
179 HG2 GLN 22 HG2 GLN 22 2.539 -5.096 -2.334
180 HG3 GLN 22 HG3 GLN 22 1.499 -5.399 -0.941
181 HE21 GLN 22 HE21 GLN 22 1.695 -5.688 -4.480
182 HE22 GLN 22 HE22 GLN 22 0.360 -6.724 -4.638
183 H GLY 23 H GLY 23 2.638 -1.309 -2.770
184 HA2 GLY 23 HA2 GLY 23 5.353 -2.270 -2.745
185 HA3 GLY 23 HA3 GLY 23 4.801 -0.788 -3.528
186 H LEU 24 H LEU 24 3.750 0.548 -1.249
187 HA LEU 24 HA LEU 24 6.122 1.745 -0.148
188 HB2 LEU 24 HB2 LEU 24 3.549 2.467 -0.417
189 HB3 LEU 24 HB3 LEU 24 3.487 1.915 1.256
190 HG LEU 24 HG LEU 24 5.698 3.755 0.376
191 HD11 LEU 24 HD11 LEU 24 2.993 4.698 1.361
192 HD12 LEU 24 HD12 LEU 24 3.465 4.714 -0.338
193 HD13 LEU 24 HD13 LEU 24 4.349 5.695 0.831
194 HD21 LEU 24 HD21 LEU 24 5.969 2.890 2.579
195 HD22 LEU 24 HD22 LEU 24 4.259 3.092 2.953
196 HD23 LEU 24 HD23 LEU 24 5.302 4.506 2.808
197 H LEU 25 H LEU 25 3.825 -0.672 1.150
198 HA LEU 25 HA LEU 25 4.903 -0.843 3.797
199 HB2 LEU 25 HB2 LEU 25 2.715 -1.755 2.905
200 HB3 LEU 25 HB3 LEU 25 3.639 -3.044 2.135
201 HG LEU 25 HG LEU 25 4.625 -3.496 4.475
202 HD11 LEU 25 HD11 LEU 25 3.955 -1.489 5.621
203 HD12 LEU 25 HD12 LEU 25 3.015 -2.811 6.314
204 HD13 LEU 25 HD13 LEU 25 2.269 -1.715 5.151
205 HD21 LEU 25 HD21 LEU 25 1.655 -3.956 4.047
206 HD22 LEU 25 HD22 LEU 25 2.719 -4.909 5.080
207 HD23 LEU 25 HD23 LEU 25 2.936 -4.933 3.330
208 H GLN 26 H GLN 26 5.728 -2.615 0.793
209 HA GLN 26 HA GLN 26 7.613 -4.444 1.928
210 HB2 GLN 26 HB2 GLN 26 6.561 -4.417 -0.391
211 HB3 GLN 26 HB3 GLN 26 7.698 -3.135 -0.810
212 HG2 GLN 26 HG2 GLN 26 8.828 -5.062 -1.527
213 HG3 GLN 26 HG3 GLN 26 9.515 -4.795 0.075
214 HE21 GLN 26 HE21 GLN 26 9.356 -6.526 1.533
215 HE22 GLN 26 HE22 GLN 26 8.346 -7.874 1.318
216 H GLN 27 H GLN 27 8.031 -1.161 0.579
217 HA GLN 27 HA GLN 27 10.889 -1.022 1.015
218 HB2 GLN 27 HB2 GLN 27 9.298 0.337 -0.528
219 HB3 GLN 27 HB3 GLN 27 8.964 1.304 0.909
220 HG2 GLN 27 HG2 GLN 27 10.805 2.501 0.379
221 HG3 GLN 27 HG3 GLN 27 11.743 1.097 0.887
222 HE21 GLN 27 HE21 GLN 27 10.589 2.896 -1.913
223 HE22 GLN 27 HE22 GLN 27 11.442 1.998 -3.074
224 H ALA 28 H ALA 28 8.045 -0.106 2.907
225 HA ALA 28 HA ALA 28 9.477 1.262 5.020
226 HB1 ALA 28 HB1 ALA 28 7.272 1.081 6.153
227 HB2 ALA 28 HB2 ALA 28 6.745 -0.055 4.910
228 HB3 ALA 28 HB3 ALA 28 7.098 1.619 4.482
229 H SER 29 H SER 29 8.401 -2.071 4.509
230 HA SER 29 HA SER 29 8.831 -3.139 7.110
231 HB2 SER 29 HB2 SER 29 8.953 -4.207 4.292
232 HB3 SER 29 HB3 SER 29 9.306 -5.260 5.658
233 HG SER 29 HG SER 29 6.919 -4.145 4.819
234 H LYS 30 H LYS 30 11.104 -2.847 4.353
235 HA LYS 30 HA LYS 30 13.363 -3.985 5.785
236 HB2 LYS 30 HB2 LYS 30 12.697 -2.844 3.169
237 HB3 LYS 30 HB3 LYS 30 14.319 -2.398 3.695
238 HG2 LYS 30 HG2 LYS 30 13.365 -5.250 3.905
239 HG3 LYS 30 HG3 LYS 30 14.024 -4.629 2.392
240 HD2 LYS 30 HD2 LYS 30 15.648 -3.944 4.749
241 HD3 LYS 30 HD3 LYS 30 15.528 -5.678 4.454
242 HE2 LYS 30 HE2 LYS 30 16.033 -3.981 2.056
243 HE3 LYS 30 HE3 LYS 30 17.370 -4.137 3.213
244 HZ1 LYS 30 HZ1 LYS 30 17.151 -6.515 3.159
245 HZ2 LYS 30 HZ2 LYS 30 17.320 -5.959 1.563
246 HZ3 LYS 30 HZ3 LYS 30 15.793 -6.424 2.145
247 H GLN 31 H GLN 31 12.413 -0.635 4.927
248 HA GLN 31 HA GLN 31 14.594 0.741 6.121
249 HB2 GLN 31 HB2 GLN 31 11.718 1.334 5.473
250 HB3 GLN 31 HB3 GLN 31 12.652 2.527 6.374
251 HG2 GLN 31 HG2 GLN 31 14.297 1.621 4.234
252 HG3 GLN 31 HG3 GLN 31 12.711 1.980 3.555
253 HE21 GLN 31 HE21 GLN 31 12.937 4.066 2.665
254 HE22 GLN 31 HE22 GLN 31 13.554 5.402 3.509
255 H ALA 32 H ALA 32 11.602 -0.541 7.566
256 HA ALA 32 HA ALA 32 11.778 0.710 10.126
257 HB1 ALA 32 HB1 ALA 32 9.809 -0.486 9.282
258 HB2 ALA 32 HB2 ALA 32 10.337 -1.220 10.797
259 HB3 ALA 32 HB3 ALA 32 10.714 -2.000 9.261
260 H GLN 33 H GLN 33 13.159 -2.381 8.939
261 HA GLN 33 HA GLN 33 14.368 -3.107 11.474
262 HB2 GLN 33 HB2 GLN 33 13.764 -4.483 9.311
263 HB3 GLN 33 HB3 GLN 33 15.377 -4.002 8.782
264 HG2 GLN 33 HG2 GLN 33 16.179 -4.847 11.090
265 HG3 GLN 33 HG3 GLN 33 14.613 -5.649 11.195
266 HE21 GLN 33 HE21 GLN 33 14.646 -7.759 10.404
267 HE22 GLN 33 HE22 GLN 33 15.699 -8.335 9.203
268 H ASP 34 H ASP 34 15.372 -1.052 8.795
269 HA ASP 34 HA ASP 34 18.210 -1.048 9.404
270 HB2 ASP 34 HB2 ASP 34 16.366 0.822 7.883
271 HB3 ASP 34 HB3 ASP 34 18.119 0.989 7.903
272 H ILE 35 H ILE 35 15.431 0.785 10.594
273 HA ILE 35 HA ILE 35 17.263 2.586 12.131
274 HB ILE 35 HB ILE 35 15.504 3.498 10.571
275 HG12 ILE 35 HG12 ILE 35 14.727 4.276 13.365
276 HG13 ILE 35 HG13 ILE 35 16.382 4.559 12.827
277 HG21 ILE 35 HG21 ILE 35 13.880 1.601 11.946
278 HG22 ILE 35 HG22 ILE 35 13.407 2.689 10.643
279 HG23 ILE 35 HG23 ILE 35 13.250 3.204 12.322
280 HD11 ILE 35 HD11 ILE 35 13.909 5.512 11.354
281 HD12 ILE 35 HD12 ILE 35 15.584 5.866 10.926
282 HD13 ILE 35 HD13 ILE 35 14.896 6.520 12.413
283 H GLN 36 H GLN 36 17.030 -0.083 13.098
284 HA GLN 36 HA GLN 36 15.274 0.260 15.508
285 HB2 GLN 36 HB2 GLN 36 14.630 -1.562 13.973
286 HB3 GLN 36 HB3 GLN 36 16.256 -2.236 14.084
287 HG2 GLN 36 HG2 GLN 36 15.042 -3.513 15.649
288 HG3 GLN 36 HG3 GLN 36 15.824 -2.290 16.649
289 HE21 GLN 36 HE21 GLN 36 12.760 -3.584 15.701
290 HE22 GLN 36 HE22 GLN 36 11.790 -2.423 16.473
291 HA PRO 37 HA PRO 37 19.343 0.355 17.430
292 HB2 PRO 37 HB2 PRO 37 18.452 1.089 19.909
293 HB3 PRO 37 HB3 PRO 37 18.655 2.242 18.577
294 HG2 PRO 37 HG2 PRO 37 16.180 0.968 19.616
295 HG3 PRO 37 HG3 PRO 37 16.436 2.609 19.005
296 HD2 PRO 37 HD2 PRO 37 15.262 0.603 17.557
297 HD3 PRO 37 HD3 PRO 37 16.106 1.990 16.835
298 H ALA 38 H ALA 38 20.410 -1.228 18.640
299 HA ALA 38 HA ALA 38 18.766 -3.536 19.578
300 HB1 ALA 38 HB1 ALA 38 21.749 -3.240 19.091
301 HB2 ALA 38 HB2 ALA 38 20.590 -3.822 17.894
302 HB3 ALA 38 HB3 ALA 38 20.884 -4.753 19.364
303 H MET 39 H MET 39 21.446 -1.424 20.672
304 HA MET 39 HA MET 39 21.394 -2.539 23.393
305 HB2 MET 39 HB2 MET 39 22.905 -0.443 21.856
306 HB3 MET 39 HB3 MET 39 23.012 -0.458 23.615
307 HG2 MET 39 HG2 MET 39 24.750 -1.898 23.134
308 HG3 MET 39 HG3 MET 39 23.428 -3.064 23.198
309 HE1 MET 39 HE1 MET 39 22.558 -4.456 21.022
310 HE2 MET 39 HE2 MET 39 23.993 -4.801 21.984
311 HE3 MET 39 HE3 MET 39 24.066 -4.933 20.228
312 H GLN 40 H GLN 40 20.279 0.430 21.760
313 HA GLN 40 HA GLN 40 18.752 1.126 24.246
314 HB2 GLN 40 HB2 GLN 40 20.937 2.448 23.447
315 HB3 GLN 40 HB3 GLN 40 19.777 3.239 22.381
316 HG2 GLN 40 HG2 GLN 40 19.482 4.608 24.193
317 HG3 GLN 40 HG3 GLN 40 18.387 3.323 24.703
318 HE21 GLN 40 HE21 GLN 40 19.546 1.493 26.033
319 HE22 GLN 40 HE22 GLN 40 20.735 2.003 27.129
Start of MODEL 33
1 HA ALA 1 HA ALA 1 -21.607 5.313 3.235
2 HB1 ALA 1 HB1 ALA 1 -22.201 5.967 5.533
3 HB2 ALA 1 HB2 ALA 1 -23.187 4.597 5.023
4 HB3 ALA 1 HB3 ALA 1 -23.876 6.220 5.039
5 H SER 2 H SER 2 -22.768 3.603 2.216
6 HA SER 2 HA SER 2 -25.497 4.129 1.178
7 HB2 SER 2 HB2 SER 2 -23.115 4.599 -0.305
8 HB3 SER 2 HB3 SER 2 -23.856 3.148 -0.976
9 HG SER 2 HG SER 2 -24.652 5.744 -1.123
10 H ARG 3 H ARG 3 -26.228 2.085 -0.119
11 HA ARG 3 HA ARG 3 -25.275 -0.333 1.367
12 HB2 ARG 3 HB2 ARG 3 -27.864 0.639 0.210
13 HB3 ARG 3 HB3 ARG 3 -27.610 -1.102 0.338
14 HG2 ARG 3 HG2 ARG 3 -27.354 -1.007 2.692
15 HG3 ARG 3 HG3 ARG 3 -27.105 0.739 2.678
16 HD2 ARG 3 HD2 ARG 3 -29.664 0.065 1.465
17 HD3 ARG 3 HD3 ARG 3 -29.548 -0.581 3.113
18 HE ARG 3 HE ARG 3 -29.300 1.650 3.943
19 HH11 ARG 3 HH11 ARG 3 -31.352 2.380 1.932
20 HH12 ARG 3 HH12 ARG 3 -30.601 3.682 1.071
21 HH21 ARG 3 HH21 ARG 3 -27.405 2.943 2.221
22 HH22 ARG 3 HH22 ARG 3 -28.356 4.002 1.235
23 H ALA 4 H ALA 4 -26.429 0.623 -1.907
24 HA ALA 4 HA ALA 4 -25.471 -1.833 -3.149
25 HB1 ALA 4 HB1 ALA 4 -26.572 -0.988 -4.996
26 HB2 ALA 4 HB2 ALA 4 -25.997 0.655 -4.714
27 HB3 ALA 4 HB3 ALA 4 -27.331 0.010 -3.757
28 H ALA 5 H ALA 5 -24.354 1.583 -3.257
29 HA ALA 5 HA ALA 5 -22.068 1.189 -4.907
30 HB1 ALA 5 HB1 ALA 5 -22.253 3.144 -2.608
31 HB2 ALA 5 HB2 ALA 5 -23.243 3.327 -4.057
32 HB3 ALA 5 HB3 ALA 5 -21.485 3.377 -4.179
33 H LEU 6 H LEU 6 -22.554 0.559 -1.471
34 HA LEU 6 HA LEU 6 -19.926 0.485 -0.473
35 HB2 LEU 6 HB2 LEU 6 -22.276 0.077 0.589
36 HB3 LEU 6 HB3 LEU 6 -21.999 -1.612 0.167
37 HG LEU 6 HG LEU 6 -19.670 -0.391 1.452
38 HD11 LEU 6 HD11 LEU 6 -22.126 -0.744 3.180
39 HD12 LEU 6 HD12 LEU 6 -21.658 0.828 2.530
40 HD13 LEU 6 HD13 LEU 6 -20.575 -0.032 3.624
41 HD21 LEU 6 HD21 LEU 6 -21.412 -2.742 2.253
42 HD22 LEU 6 HD22 LEU 6 -19.741 -2.450 2.733
43 HD23 LEU 6 HD23 LEU 6 -20.121 -2.839 1.056
44 H ILE 7 H ILE 7 -21.655 -2.011 -2.360
45 HA ILE 7 HA ILE 7 -19.459 -3.942 -2.185
46 HB ILE 7 HB ILE 7 -21.945 -3.753 -3.926
47 HG12 ILE 7 HG12 ILE 7 -21.923 -5.806 -1.870
48 HG13 ILE 7 HG13 ILE 7 -21.665 -4.212 -1.160
49 HG21 ILE 7 HG21 ILE 7 -19.911 -5.944 -3.495
50 HG22 ILE 7 HG22 ILE 7 -20.498 -5.283 -5.020
51 HG23 ILE 7 HG23 ILE 7 -21.551 -6.299 -4.035
52 HD11 ILE 7 HD11 ILE 7 -24.077 -4.756 -1.316
53 HD12 ILE 7 HD12 ILE 7 -23.914 -4.931 -3.064
54 HD13 ILE 7 HD13 ILE 7 -23.664 -3.358 -2.307
55 H GLU 8 H GLU 8 -20.817 -1.879 -4.793
56 HA GLU 8 HA GLU 8 -18.899 -2.564 -6.805
57 HB2 GLU 8 HB2 GLU 8 -20.725 -0.215 -6.267
58 HB3 GLU 8 HB3 GLU 8 -19.707 -0.274 -7.706
59 HG2 GLU 8 HG2 GLU 8 -20.879 -2.807 -7.609
60 HG3 GLU 8 HG3 GLU 8 -22.180 -1.717 -7.135
61 H GLU 9 H GLU 9 -19.029 0.344 -4.692
62 HA GLU 9 HA GLU 9 -16.449 1.354 -5.498
63 HB2 GLU 9 HB2 GLU 9 -18.186 1.778 -3.045
64 HB3 GLU 9 HB3 GLU 9 -16.771 2.757 -3.431
65 HG2 GLU 9 HG2 GLU 9 -18.052 2.911 -5.798
66 HG3 GLU 9 HG3 GLU 9 -19.444 2.702 -4.735
67 H GLY 10 H GLY 10 -17.525 -0.771 -2.841
68 HA2 GLY 10 HA2 GLY 10 -15.170 -0.861 -1.297
69 HA3 GLY 10 HA3 GLY 10 -16.274 -2.223 -1.476
70 H GLN 11 H GLN 11 -16.017 -2.762 -4.202
71 HA GLN 11 HA GLN 11 -13.521 -4.237 -4.293
72 HB2 GLN 11 HB2 GLN 11 -15.691 -4.889 -5.357
73 HB3 GLN 11 HB3 GLN 11 -15.522 -3.534 -6.473
74 HG2 GLN 11 HG2 GLN 11 -13.078 -5.048 -6.479
75 HG3 GLN 11 HG3 GLN 11 -14.431 -6.149 -6.735
76 HE21 GLN 11 HE21 GLN 11 -12.703 -3.375 -8.109
77 HE22 GLN 11 HE22 GLN 11 -13.485 -3.414 -9.616
78 H ARG 12 H ARG 12 -14.713 -1.251 -5.844
79 HA ARG 12 HA ARG 12 -12.460 -0.746 -7.540
80 HB2 ARG 12 HB2 ARG 12 -14.929 0.350 -7.038
81 HB3 ARG 12 HB3 ARG 12 -13.861 1.567 -6.340
82 HG2 ARG 12 HG2 ARG 12 -13.424 0.434 -9.109
83 HG3 ARG 12 HG3 ARG 12 -14.429 1.854 -8.819
84 HD2 ARG 12 HD2 ARG 12 -12.538 3.037 -7.800
85 HD3 ARG 12 HD3 ARG 12 -11.516 1.596 -7.982
86 HE ARG 12 HE ARG 12 -12.355 3.391 -10.152
87 HH11 ARG 12 HH11 ARG 12 -9.655 1.966 -9.726
88 HH12 ARG 12 HH12 ARG 12 -9.677 0.836 -11.038
89 HH21 ARG 12 HH21 ARG 12 -13.082 1.202 -11.639
90 HH22 ARG 12 HH22 ARG 12 -11.625 0.403 -12.126
91 H ILE 13 H ILE 13 -13.191 0.329 -4.208
92 HA ILE 13 HA ILE 13 -10.650 1.761 -3.934
93 HB ILE 13 HB ILE 13 -13.004 1.053 -2.181
94 HG12 ILE 13 HG12 ILE 13 -12.393 3.792 -2.110
95 HG13 ILE 13 HG13 ILE 13 -12.092 3.309 -3.779
96 HG21 ILE 13 HG21 ILE 13 -11.136 0.878 -0.659
97 HG22 ILE 13 HG22 ILE 13 -11.883 2.454 -0.397
98 HG23 ILE 13 HG23 ILE 13 -10.390 2.331 -1.327
99 HD11 ILE 13 HD11 ILE 13 -14.506 4.034 -3.102
100 HD12 ILE 13 HD12 ILE 13 -14.607 2.427 -2.380
101 HD13 ILE 13 HD13 ILE 13 -14.303 2.601 -4.108
102 H ALA 14 H ALA 14 -11.908 -1.456 -3.060
103 HA ALA 14 HA ALA 14 -10.000 -2.324 -1.181
104 HB1 ALA 14 HB1 ALA 14 -10.414 -4.587 -2.459
105 HB2 ALA 14 HB2 ALA 14 -11.556 -3.628 -3.403
106 HB3 ALA 14 HB3 ALA 14 -11.767 -3.787 -1.658
107 H GLU 15 H GLU 15 -9.752 -2.702 -4.755
108 HA GLU 15 HA GLU 15 -7.035 -3.663 -4.707
109 HB2 GLU 15 HB2 GLU 15 -7.165 -3.227 -7.148
110 HB3 GLU 15 HB3 GLU 15 -8.609 -4.043 -6.560
111 HG2 GLU 15 HG2 GLU 15 -9.695 -2.394 -7.706
112 HG3 GLU 15 HG3 GLU 15 -9.372 -1.448 -6.258
113 H MET 16 H MET 16 -8.442 -0.411 -4.877
114 HA MET 16 HA MET 16 -6.074 1.031 -5.619
115 HB2 MET 16 HB2 MET 16 -8.571 1.730 -5.473
116 HB3 MET 16 HB3 MET 16 -8.245 2.025 -3.765
117 HG2 MET 16 HG2 MET 16 -6.122 3.298 -4.897
118 HG3 MET 16 HG3 MET 16 -7.341 3.533 -6.149
119 HE1 MET 16 HE1 MET 16 -6.070 6.098 -3.957
120 HE2 MET 16 HE2 MET 16 -7.465 6.902 -4.674
121 HE3 MET 16 HE3 MET 16 -6.514 5.775 -5.639
122 H LEU 17 H LEU 17 -7.198 -0.323 -2.567
123 HA LEU 17 HA LEU 17 -5.277 1.135 -0.904
124 HB2 LEU 17 HB2 LEU 17 -7.528 -0.715 -0.638
125 HB3 LEU 17 HB3 LEU 17 -6.221 -1.100 0.482
126 HG LEU 17 HG LEU 17 -6.197 1.404 1.062
127 HD11 LEU 17 HD11 LEU 17 -8.144 2.697 0.539
128 HD12 LEU 17 HD12 LEU 17 -8.985 1.289 -0.112
129 HD13 LEU 17 HD13 LEU 17 -7.613 1.977 -0.981
130 HD21 LEU 17 HD21 LEU 17 -7.054 -0.044 2.719
131 HD22 LEU 17 HD22 LEU 17 -8.440 -0.500 1.730
132 HD23 LEU 17 HD23 LEU 17 -8.369 1.103 2.462
133 H LYS 18 H LYS 18 -5.335 -1.865 -2.706
134 HA LYS 18 HA LYS 18 -3.258 -3.309 -1.366
135 HB2 LYS 18 HB2 LYS 18 -4.264 -3.204 -4.224
136 HB3 LYS 18 HB3 LYS 18 -3.056 -4.372 -3.691
137 HG2 LYS 18 HG2 LYS 18 -5.523 -4.138 -2.032
138 HG3 LYS 18 HG3 LYS 18 -5.695 -4.899 -3.614
139 HD2 LYS 18 HD2 LYS 18 -5.036 -6.784 -2.519
140 HD3 LYS 18 HD3 LYS 18 -3.418 -6.107 -2.710
141 HE2 LYS 18 HE2 LYS 18 -3.525 -5.088 -0.492
142 HE3 LYS 18 HE3 LYS 18 -5.208 -5.617 -0.301
143 HZ1 LYS 18 HZ1 LYS 18 -2.837 -7.371 -0.683
144 HZ2 LYS 18 HZ2 LYS 18 -4.446 -7.919 -0.652
145 HZ3 LYS 18 HZ3 LYS 18 -3.756 -7.218 0.733
146 H SER 19 H SER 19 -3.123 -0.976 -4.087
147 HA SER 19 HA SER 19 -0.260 -1.108 -4.442
148 HB2 SER 19 HB2 SER 19 -0.683 1.001 -5.727
149 HB3 SER 19 HB3 SER 19 -1.802 -0.288 -6.156
150 HG SER 19 HG SER 19 -2.886 1.689 -5.795
151 H LYS 20 H LYS 20 -2.391 0.907 -2.429
152 HA LYS 20 HA LYS 20 -0.492 2.846 -1.544
153 HB2 LYS 20 HB2 LYS 20 -3.097 2.536 -1.240
154 HB3 LYS 20 HB3 LYS 20 -2.627 1.695 0.237
155 HG2 LYS 20 HG2 LYS 20 -2.553 3.743 1.200
156 HG3 LYS 20 HG3 LYS 20 -1.055 3.976 0.301
157 HD2 LYS 20 HD2 LYS 20 -2.441 5.856 -0.223
158 HD3 LYS 20 HD3 LYS 20 -2.486 4.803 -1.638
159 HE2 LYS 20 HE2 LYS 20 -4.568 3.947 0.134
160 HE3 LYS 20 HE3 LYS 20 -4.700 5.706 -0.059
161 HZ1 LYS 20 HZ1 LYS 20 -4.340 3.779 -2.298
162 HZ2 LYS 20 HZ2 LYS 20 -4.559 5.460 -2.436
163 HZ3 LYS 20 HZ3 LYS 20 -5.822 4.480 -1.860
164 H ILE 21 H ILE 21 -1.318 -0.384 -0.257
165 HA ILE 21 HA ILE 21 0.467 -0.274 2.011
166 HB ILE 21 HB ILE 21 -0.795 -2.540 0.432
167 HG12 ILE 21 HG12 ILE 21 -2.352 -0.961 1.579
168 HG13 ILE 21 HG13 ILE 21 -2.417 -2.583 2.266
169 HG21 ILE 21 HG21 ILE 21 0.846 -3.726 1.545
170 HG22 ILE 21 HG22 ILE 21 -0.370 -3.663 2.820
171 HG23 ILE 21 HG23 ILE 21 0.985 -2.532 2.836
172 HD11 ILE 21 HD11 ILE 21 -1.973 -0.207 3.674
173 HD12 ILE 21 HD12 ILE 21 -0.380 -0.957 3.570
174 HD13 ILE 21 HD13 ILE 21 -1.727 -1.844 4.283
175 H GLN 22 H GLN 22 0.831 -1.248 -1.359
176 HA GLN 22 HA GLN 22 3.343 -2.607 -1.190
177 HB2 GLN 22 HB2 GLN 22 1.479 -1.839 -3.134
178 HB3 GLN 22 HB3 GLN 22 2.951 -0.984 -3.594
179 HG2 GLN 22 HG2 GLN 22 3.266 -3.026 -4.669
180 HG3 GLN 22 HG3 GLN 22 4.094 -3.318 -3.140
181 HE21 GLN 22 HE21 GLN 22 3.008 -4.701 -1.545
182 HE22 GLN 22 HE22 GLN 22 1.702 -5.690 -1.989
183 H GLY 23 H GLY 23 2.578 0.845 -1.806
184 HA2 GLY 23 HA2 GLY 23 5.308 1.725 -1.988
185 HA3 GLY 23 HA3 GLY 23 3.925 2.763 -1.629
186 H LEU 24 H LEU 24 3.020 1.472 0.733
187 HA LEU 24 HA LEU 24 4.680 2.673 2.744
188 HB2 LEU 24 HB2 LEU 24 2.196 2.111 2.797
189 HB3 LEU 24 HB3 LEU 24 2.659 0.430 3.063
190 HG LEU 24 HG LEU 24 4.057 2.275 4.857
191 HD11 LEU 24 HD11 LEU 24 1.049 2.019 5.145
192 HD12 LEU 24 HD12 LEU 24 1.869 3.476 4.584
193 HD13 LEU 24 HD13 LEU 24 2.143 2.885 6.223
194 HD21 LEU 24 HD21 LEU 24 2.156 0.050 5.594
195 HD22 LEU 24 HD22 LEU 24 3.615 0.576 6.436
196 HD23 LEU 24 HD23 LEU 24 3.744 -0.306 4.913
197 H LEU 25 H LEU 25 4.321 -0.711 1.639
198 HA LEU 25 HA LEU 25 6.101 -1.919 3.533
199 HB2 LEU 25 HB2 LEU 25 4.397 -2.937 1.879
200 HB3 LEU 25 HB3 LEU 25 5.671 -2.794 0.668
201 HG LEU 25 HG LEU 25 7.142 -4.005 2.487
202 HD11 LEU 25 HD11 LEU 25 5.884 -5.508 3.920
203 HD12 LEU 25 HD12 LEU 25 4.360 -4.966 3.219
204 HD13 LEU 25 HD13 LEU 25 5.316 -3.865 4.210
205 HD21 LEU 25 HD21 LEU 25 6.575 -4.946 0.284
206 HD22 LEU 25 HD22 LEU 25 4.991 -5.434 0.888
207 HD23 LEU 25 HD23 LEU 25 6.450 -6.187 1.530
208 H GLN 26 H GLN 26 6.676 -0.393 0.360
209 HA GLN 26 HA GLN 26 9.446 -1.143 0.103
210 HB2 GLN 26 HB2 GLN 26 7.461 0.317 -1.309
211 HB3 GLN 26 HB3 GLN 26 8.826 1.413 -1.096
212 HG2 GLN 26 HG2 GLN 26 9.153 -1.424 -2.099
213 HG3 GLN 26 HG3 GLN 26 8.912 -0.053 -3.180
214 HE21 GLN 26 HE21 GLN 26 10.672 1.473 -3.430
215 HE22 GLN 26 HE22 GLN 26 12.214 1.181 -2.785
216 H GLN 27 H GLN 27 7.806 1.577 1.703
217 HA GLN 27 HA GLN 27 10.179 3.129 2.255
218 HB2 GLN 27 HB2 GLN 27 7.506 3.526 2.399
219 HB3 GLN 27 HB3 GLN 27 7.833 3.179 4.096
220 HG2 GLN 27 HG2 GLN 27 9.703 5.066 2.756
221 HG3 GLN 27 HG3 GLN 27 8.067 5.657 3.034
222 HE21 GLN 27 HE21 GLN 27 10.497 6.595 4.433
223 HE22 GLN 27 HE22 GLN 27 10.269 6.252 6.080
224 H ALA 28 H ALA 28 8.531 0.488 3.909
225 HA ALA 28 HA ALA 28 10.206 0.676 6.319
226 HB1 ALA 28 HB1 ALA 28 7.974 -0.040 6.650
227 HB2 ALA 28 HB2 ALA 28 8.906 -1.533 6.745
228 HB3 ALA 28 HB3 ALA 28 8.032 -1.134 5.267
229 H SER 29 H SER 29 10.734 -0.554 3.218
230 HA SER 29 HA SER 29 12.033 -3.060 3.763
231 HB2 SER 29 HB2 SER 29 12.752 -2.868 1.482
232 HB3 SER 29 HB3 SER 29 11.173 -2.096 1.561
233 HG SER 29 HG SER 29 12.077 -0.196 1.234
234 H LYS 30 H LYS 30 13.171 0.299 3.875
235 HA LYS 30 HA LYS 30 15.984 -0.141 3.864
236 HB2 LYS 30 HB2 LYS 30 14.524 2.014 3.818
237 HB3 LYS 30 HB3 LYS 30 14.576 1.910 5.576
238 HG2 LYS 30 HG2 LYS 30 16.393 3.345 4.841
239 HG3 LYS 30 HG3 LYS 30 17.078 1.838 5.447
240 HD2 LYS 30 HD2 LYS 30 18.184 2.423 3.356
241 HD3 LYS 30 HD3 LYS 30 17.193 0.990 3.097
242 HE2 LYS 30 HE2 LYS 30 16.706 2.395 1.229
243 HE3 LYS 30 HE3 LYS 30 15.343 2.658 2.333
244 HZ1 LYS 30 HZ1 LYS 30 16.477 4.567 3.258
245 HZ2 LYS 30 HZ2 LYS 30 16.320 4.761 1.579
246 HZ3 LYS 30 HZ3 LYS 30 17.816 4.311 2.247
247 H GLN 31 H GLN 31 13.654 -0.201 6.581
248 HA GLN 31 HA GLN 31 15.604 -0.634 8.661
249 HB2 GLN 31 HB2 GLN 31 12.687 -0.645 8.273
250 HB3 GLN 31 HB3 GLN 31 13.225 -1.790 9.502
251 HG2 GLN 31 HG2 GLN 31 14.743 0.373 10.154
252 HG3 GLN 31 HG3 GLN 31 13.304 1.171 9.520
253 HE21 GLN 31 HE21 GLN 31 14.294 -1.351 11.894
254 HE22 GLN 31 HE22 GLN 31 12.973 -1.105 12.928
255 H ALA 32 H ALA 32 13.672 -2.853 6.636
256 HA ALA 32 HA ALA 32 14.399 -5.312 7.895
257 HB1 ALA 32 HB1 ALA 32 13.943 -4.878 4.934
258 HB2 ALA 32 HB2 ALA 32 12.629 -4.777 6.105
259 HB3 ALA 32 HB3 ALA 32 13.513 -6.289 5.899
260 H GLN 33 H GLN 33 16.042 -3.361 5.409
261 HA GLN 33 HA GLN 33 18.107 -5.280 4.771
262 HB2 GLN 33 HB2 GLN 33 17.439 -3.340 3.374
263 HB3 GLN 33 HB3 GLN 33 18.036 -2.243 4.620
264 HG2 GLN 33 HG2 GLN 33 20.117 -2.391 3.779
265 HG3 GLN 33 HG3 GLN 33 20.103 -4.138 4.013
266 HE21 GLN 33 HE21 GLN 33 18.776 -1.688 1.699
267 HE22 GLN 33 HE22 GLN 33 18.992 -2.666 0.327
268 H ASP 34 H ASP 34 17.836 -2.654 7.158
269 HA ASP 34 HA ASP 34 20.570 -2.833 8.122
270 HB2 ASP 34 HB2 ASP 34 17.994 -1.508 8.852
271 HB3 ASP 34 HB3 ASP 34 19.215 -1.631 10.117
272 H ILE 35 H ILE 35 17.478 -4.310 9.102
273 HA ILE 35 HA ILE 35 18.984 -6.269 10.752
274 HB ILE 35 HB ILE 35 18.426 -4.479 12.296
275 HG12 ILE 35 HG12 ILE 35 16.200 -6.389 12.875
276 HG13 ILE 35 HG13 ILE 35 17.834 -7.043 12.762
277 HG21 ILE 35 HG21 ILE 35 15.816 -4.098 12.589
278 HG22 ILE 35 HG22 ILE 35 15.780 -4.586 10.895
279 HG23 ILE 35 HG23 ILE 35 16.732 -3.188 11.389
280 HD11 ILE 35 HD11 ILE 35 17.233 -6.363 15.088
281 HD12 ILE 35 HD12 ILE 35 17.040 -4.705 14.520
282 HD13 ILE 35 HD13 ILE 35 18.623 -5.478 14.458
283 H GLN 36 H GLN 36 18.293 -7.529 8.806
284 HA GLN 36 HA GLN 36 15.634 -8.025 7.991
285 HB2 GLN 36 HB2 GLN 36 18.289 -9.204 7.747
286 HB3 GLN 36 HB3 GLN 36 17.038 -10.445 7.767
287 HG2 GLN 36 HG2 GLN 36 16.275 -9.858 5.718
288 HG3 GLN 36 HG3 GLN 36 16.319 -8.139 6.104
289 HE21 GLN 36 HE21 GLN 36 18.609 -10.841 5.367
290 HE22 GLN 36 HE22 GLN 36 19.703 -9.867 4.508
291 HA PRO 37 HA PRO 37 13.936 -10.216 11.442
292 HB2 PRO 37 HB2 PRO 37 11.795 -11.362 10.177
293 HB3 PRO 37 HB3 PRO 37 11.860 -9.640 10.604
294 HG2 PRO 37 HG2 PRO 37 12.304 -10.955 7.978
295 HG3 PRO 37 HG3 PRO 37 11.530 -9.410 8.351
296 HD2 PRO 37 HD2 PRO 37 14.086 -9.661 7.392
297 HD3 PRO 37 HD3 PRO 37 13.504 -8.275 8.339
298 H ALA 38 H ALA 38 12.809 -12.664 11.581
299 HA ALA 38 HA ALA 38 15.024 -14.498 11.019
300 HB1 ALA 38 HB1 ALA 38 12.251 -14.842 12.203
301 HB2 ALA 38 HB2 ALA 38 13.747 -14.587 13.100
302 HB3 ALA 38 HB3 ALA 38 13.498 -16.089 12.209
303 H MET 39 H MET 39 11.989 -13.683 9.462
304 HA MET 39 HA MET 39 11.888 -16.184 7.892
305 HB2 MET 39 HB2 MET 39 10.255 -13.658 8.146
306 HB3 MET 39 HB3 MET 39 9.940 -14.805 6.843
307 HG2 MET 39 HG2 MET 39 9.551 -16.594 8.449
308 HG3 MET 39 HG3 MET 39 9.999 -15.535 9.786
309 HE1 MET 39 HE1 MET 39 7.152 -17.271 9.037
310 HE2 MET 39 HE2 MET 39 7.483 -16.787 7.376
311 HE3 MET 39 HE3 MET 39 5.981 -16.287 8.148
312 H GLN 40 H GLN 40 12.652 -12.736 7.357
313 HA GLN 40 HA GLN 40 13.568 -13.428 4.585
314 HB2 GLN 40 HB2 GLN 40 12.109 -11.202 5.846
315 HB3 GLN 40 HB3 GLN 40 13.404 -10.674 4.771
316 HG2 GLN 40 HG2 GLN 40 11.293 -12.706 3.995
317 HG3 GLN 40 HG3 GLN 40 11.190 -10.987 3.614
318 HE21 GLN 40 HE21 GLN 40 13.426 -10.158 2.539
319 HE22 GLN 40 HE22 GLN 40 14.029 -11.169 1.316
Start of MODEL 34
1 HA ALA 1 HA ALA 1 -31.258 4.338 -4.726
2 HB1 ALA 1 HB1 ALA 1 -30.434 3.968 -2.404
3 HB2 ALA 1 HB2 ALA 1 -31.819 2.923 -2.096
4 HB3 ALA 1 HB3 ALA 1 -32.065 4.640 -2.418
5 H SER 2 H SER 2 -29.273 3.391 -5.271
6 HA SER 2 HA SER 2 -29.287 0.467 -5.749
7 HB2 SER 2 HB2 SER 2 -28.325 2.725 -7.067
8 HB3 SER 2 HB3 SER 2 -26.868 1.989 -6.406
9 HG SER 2 HG SER 2 -27.047 0.548 -7.912
10 H ARG 3 H ARG 3 -28.420 -0.897 -4.241
11 HA ARG 3 HA ARG 3 -26.539 0.206 -2.201
12 HB2 ARG 3 HB2 ARG 3 -27.250 -1.660 -0.854
13 HB3 ARG 3 HB3 ARG 3 -28.698 -0.990 -1.600
14 HG2 ARG 3 HG2 ARG 3 -28.602 -2.734 -3.352
15 HG3 ARG 3 HG3 ARG 3 -27.157 -3.409 -2.599
16 HD2 ARG 3 HD2 ARG 3 -29.656 -3.050 -0.950
17 HD3 ARG 3 HD3 ARG 3 -29.483 -4.467 -2.005
18 HE ARG 3 HE ARG 3 -27.205 -3.827 -0.208
19 HH11 ARG 3 HH11 ARG 3 -29.329 -4.831 1.535
20 HH12 ARG 3 HH12 ARG 3 -29.149 -6.551 1.445
21 HH21 ARG 3 HH21 ARG 3 -27.217 -6.458 -1.445
22 HH22 ARG 3 HH22 ARG 3 -27.949 -7.476 -0.250
23 H ALA 4 H ALA 4 -26.781 -2.267 -4.738
24 HA ALA 4 HA ALA 4 -24.317 -3.646 -4.132
25 HB1 ALA 4 HB1 ALA 4 -24.696 -4.669 -6.279
26 HB2 ALA 4 HB2 ALA 4 -25.668 -3.302 -6.825
27 HB3 ALA 4 HB3 ALA 4 -26.289 -4.384 -5.578
28 H ALA 5 H ALA 5 -25.137 -0.952 -6.332
29 HA ALA 5 HA ALA 5 -22.729 -0.559 -7.696
30 HB1 ALA 5 HB1 ALA 5 -23.462 1.851 -7.705
31 HB2 ALA 5 HB2 ALA 5 -24.670 1.439 -6.489
32 HB3 ALA 5 HB3 ALA 5 -24.758 0.722 -8.100
33 H LEU 6 H LEU 6 -23.522 0.423 -4.358
34 HA LEU 6 HA LEU 6 -21.128 1.953 -3.872
35 HB2 LEU 6 HB2 LEU 6 -23.513 1.139 -2.529
36 HB3 LEU 6 HB3 LEU 6 -22.157 0.680 -1.500
37 HG LEU 6 HG LEU 6 -22.943 2.983 -1.018
38 HD11 LEU 6 HD11 LEU 6 -20.195 2.680 -2.253
39 HD12 LEU 6 HD12 LEU 6 -20.630 2.546 -0.550
40 HD13 LEU 6 HD13 LEU 6 -20.695 4.114 -1.356
41 HD21 LEU 6 HD21 LEU 6 -23.600 3.347 -3.493
42 HD22 LEU 6 HD22 LEU 6 -21.903 3.754 -3.749
43 HD23 LEU 6 HD23 LEU 6 -22.882 4.713 -2.638
44 H ILE 7 H ILE 7 -21.985 -1.463 -3.198
45 HA ILE 7 HA ILE 7 -19.560 -2.226 -1.898
46 HB ILE 7 HB ILE 7 -21.516 -3.763 -3.646
47 HG12 ILE 7 HG12 ILE 7 -21.406 -4.001 -0.672
48 HG13 ILE 7 HG13 ILE 7 -22.087 -2.515 -1.331
49 HG21 ILE 7 HG21 ILE 7 -19.203 -4.643 -1.932
50 HG22 ILE 7 HG22 ILE 7 -19.671 -5.203 -3.537
51 HG23 ILE 7 HG23 ILE 7 -20.608 -5.692 -2.125
52 HD11 ILE 7 HD11 ILE 7 -24.016 -3.607 -1.709
53 HD12 ILE 7 HD12 ILE 7 -23.295 -5.121 -1.165
54 HD13 ILE 7 HD13 ILE 7 -23.171 -4.644 -2.858
55 H GLU 8 H GLU 8 -20.484 -2.398 -5.359
56 HA GLU 8 HA GLU 8 -18.086 -3.547 -6.374
57 HB2 GLU 8 HB2 GLU 8 -20.293 -1.786 -7.406
58 HB3 GLU 8 HB3 GLU 8 -18.903 -2.102 -8.443
59 HG2 GLU 8 HG2 GLU 8 -19.942 -4.021 -9.033
60 HG3 GLU 8 HG3 GLU 8 -19.535 -4.615 -7.424
61 H GLU 9 H GLU 9 -18.988 -0.086 -6.059
62 HA GLU 9 HA GLU 9 -16.502 0.986 -7.010
63 HB2 GLU 9 HB2 GLU 9 -18.755 2.126 -6.730
64 HB3 GLU 9 HB3 GLU 9 -18.434 2.183 -4.998
65 HG2 GLU 9 HG2 GLU 9 -17.808 4.295 -6.225
66 HG3 GLU 9 HG3 GLU 9 -16.474 3.562 -5.336
67 H GLY 10 H GLY 10 -17.628 0.079 -3.748
68 HA2 GLY 10 HA2 GLY 10 -15.383 1.111 -2.299
69 HA3 GLY 10 HA3 GLY 10 -16.451 -0.172 -1.733
70 H GLN 11 H GLN 11 -15.955 -2.003 -3.924
71 HA GLN 11 HA GLN 11 -13.701 -3.451 -2.961
72 HB2 GLN 11 HB2 GLN 11 -15.660 -4.250 -4.363
73 HB3 GLN 11 HB3 GLN 11 -14.885 -3.495 -5.757
74 HG2 GLN 11 HG2 GLN 11 -12.896 -5.054 -4.456
75 HG3 GLN 11 HG3 GLN 11 -14.338 -6.062 -4.578
76 HE21 GLN 11 HE21 GLN 11 -14.817 -6.941 -6.633
77 HE22 GLN 11 HE22 GLN 11 -14.001 -6.518 -8.060
78 H ARG 12 H ARG 12 -13.988 -1.171 -5.700
79 HA ARG 12 HA ARG 12 -11.250 -1.474 -6.603
80 HB2 ARG 12 HB2 ARG 12 -13.661 -0.075 -7.304
81 HB3 ARG 12 HB3 ARG 12 -12.331 1.082 -7.279
82 HG2 ARG 12 HG2 ARG 12 -11.762 -1.532 -8.574
83 HG3 ARG 12 HG3 ARG 12 -12.888 -0.474 -9.423
84 HD2 ARG 12 HD2 ARG 12 -10.771 0.194 -10.261
85 HD3 ARG 12 HD3 ARG 12 -11.091 1.385 -8.985
86 HE ARG 12 HE ARG 12 -9.593 0.141 -7.509
87 HH11 ARG 12 HH11 ARG 12 -9.903 -2.608 -8.595
88 HH12 ARG 12 HH12 ARG 12 -8.422 -2.847 -9.459
89 HH21 ARG 12 HH21 ARG 12 -7.628 0.538 -9.556
90 HH22 ARG 12 HH22 ARG 12 -7.126 -1.058 -10.003
91 H ILE 13 H ILE 13 -12.914 0.940 -4.541
92 HA ILE 13 HA ILE 13 -10.613 2.600 -4.049
93 HB ILE 13 HB ILE 13 -13.175 2.051 -2.509
94 HG12 ILE 13 HG12 ILE 13 -13.459 2.994 -4.786
95 HG13 ILE 13 HG13 ILE 13 -13.923 4.158 -3.548
96 HG21 ILE 13 HG21 ILE 13 -10.940 4.009 -2.037
97 HG22 ILE 13 HG22 ILE 13 -11.838 3.043 -0.866
98 HG23 ILE 13 HG23 ILE 13 -12.595 4.449 -1.615
99 HD11 ILE 13 HD11 ILE 13 -11.555 5.096 -3.720
100 HD12 ILE 13 HD12 ILE 13 -12.588 5.368 -5.123
101 HD13 ILE 13 HD13 ILE 13 -11.364 4.100 -5.162
102 H ALA 14 H ALA 14 -11.972 -0.222 -2.335
103 HA ALA 14 HA ALA 14 -10.263 -0.210 -0.049
104 HB1 ALA 14 HB1 ALA 14 -11.539 -2.484 -1.610
105 HB2 ALA 14 HB2 ALA 14 -12.291 -1.578 -0.295
106 HB3 ALA 14 HB3 ALA 14 -10.907 -2.623 0.031
107 H GLU 15 H GLU 15 -9.841 -1.717 -3.268
108 HA GLU 15 HA GLU 15 -7.300 -2.968 -2.660
109 HB2 GLU 15 HB2 GLU 15 -8.824 -2.231 -5.166
110 HB3 GLU 15 HB3 GLU 15 -7.241 -3.001 -5.250
111 HG2 GLU 15 HG2 GLU 15 -9.660 -4.113 -3.793
112 HG3 GLU 15 HG3 GLU 15 -9.050 -4.683 -5.345
113 H MET 16 H MET 16 -8.241 0.204 -3.952
114 HA MET 16 HA MET 16 -5.727 1.118 -4.907
115 HB2 MET 16 HB2 MET 16 -8.307 2.101 -4.513
116 HB3 MET 16 HB3 MET 16 -7.319 3.116 -3.462
117 HG2 MET 16 HG2 MET 16 -7.205 4.255 -5.506
118 HG3 MET 16 HG3 MET 16 -5.732 3.284 -5.536
119 HE1 MET 16 HE1 MET 16 -6.768 4.639 -7.770
120 HE2 MET 16 HE2 MET 16 -8.497 4.355 -7.958
121 HE3 MET 16 HE3 MET 16 -7.366 3.660 -9.117
122 H LEU 17 H LEU 17 -7.041 0.956 -1.613
123 HA LEU 17 HA LEU 17 -4.695 2.311 -0.444
124 HB2 LEU 17 HB2 LEU 17 -7.400 1.838 0.226
125 HB3 LEU 17 HB3 LEU 17 -6.450 0.956 1.422
126 HG LEU 17 HG LEU 17 -5.940 3.852 0.688
127 HD11 LEU 17 HD11 LEU 17 -8.197 3.478 1.728
128 HD12 LEU 17 HD12 LEU 17 -7.116 4.452 2.724
129 HD13 LEU 17 HD13 LEU 17 -7.387 2.754 3.117
130 HD21 LEU 17 HD21 LEU 17 -5.012 2.087 2.980
131 HD22 LEU 17 HD22 LEU 17 -4.662 3.809 2.827
132 HD23 LEU 17 HD23 LEU 17 -4.014 2.670 1.648
133 H LYS 18 H LYS 18 -5.861 -0.947 -0.999
134 HA LYS 18 HA LYS 18 -4.406 -2.458 0.891
135 HB2 LYS 18 HB2 LYS 18 -6.146 -3.209 -0.784
136 HB3 LYS 18 HB3 LYS 18 -4.899 -3.130 -2.029
137 HG2 LYS 18 HG2 LYS 18 -4.061 -4.632 0.355
138 HG3 LYS 18 HG3 LYS 18 -5.452 -5.343 -0.466
139 HD2 LYS 18 HD2 LYS 18 -3.721 -4.602 -2.540
140 HD3 LYS 18 HD3 LYS 18 -2.663 -5.276 -1.300
141 HE2 LYS 18 HE2 LYS 18 -4.066 -7.313 -1.196
142 HE3 LYS 18 HE3 LYS 18 -5.128 -6.640 -2.448
143 HZ1 LYS 18 HZ1 LYS 18 -3.334 -8.098 -3.336
144 HZ2 LYS 18 HZ2 LYS 18 -2.191 -6.974 -2.774
145 HZ3 LYS 18 HZ3 LYS 18 -3.313 -6.526 -3.970
146 H SER 19 H SER 19 -3.357 -1.526 -2.422
147 HA SER 19 HA SER 19 -0.696 -2.590 -2.193
148 HB2 SER 19 HB2 SER 19 -2.155 -0.632 -3.938
149 HB3 SER 19 HB3 SER 19 -0.404 -0.752 -4.083
150 HG SER 19 HG SER 19 -0.967 -2.351 -5.368
151 H LYS 20 H LYS 20 -2.092 0.584 -1.391
152 HA LYS 20 HA LYS 20 0.357 2.007 -0.944
153 HB2 LYS 20 HB2 LYS 20 -1.964 2.945 -1.180
154 HB3 LYS 20 HB3 LYS 20 -2.341 2.310 0.421
155 HG2 LYS 20 HG2 LYS 20 -1.720 4.514 0.905
156 HG3 LYS 20 HG3 LYS 20 -0.213 3.639 1.170
157 HD2 LYS 20 HD2 LYS 20 0.058 4.153 -1.460
158 HD3 LYS 20 HD3 LYS 20 -0.947 5.531 -1.010
159 HE2 LYS 20 HE2 LYS 20 1.474 4.830 0.652
160 HE3 LYS 20 HE3 LYS 20 1.648 5.793 -0.826
161 HZ1 LYS 20 HZ1 LYS 20 -0.033 7.316 -0.018
162 HZ2 LYS 20 HZ2 LYS 20 1.222 7.197 1.122
163 HZ3 LYS 20 HZ3 LYS 20 -0.250 6.388 1.387
164 H ILE 21 H ILE 21 -1.663 0.007 1.218
165 HA ILE 21 HA ILE 21 -0.176 0.498 3.635
166 HB ILE 21 HB ILE 21 -1.914 -1.803 2.680
167 HG12 ILE 21 HG12 ILE 21 -2.755 0.193 4.740
168 HG13 ILE 21 HG13 ILE 21 -2.702 0.732 3.062
169 HG21 ILE 21 HG21 ILE 21 -0.884 -1.134 5.455
170 HG22 ILE 21 HG22 ILE 21 -0.531 -2.589 4.522
171 HG23 ILE 21 HG23 ILE 21 -2.164 -2.304 5.126
172 HD11 ILE 21 HD11 ILE 21 -4.076 -1.306 2.462
173 HD12 ILE 21 HD12 ILE 21 -4.919 -0.121 3.460
174 HD13 ILE 21 HD13 ILE 21 -4.279 -1.594 4.190
175 H GLN 22 H GLN 22 0.083 -1.956 1.089
176 HA GLN 22 HA GLN 22 2.205 -3.487 2.344
177 HB2 GLN 22 HB2 GLN 22 0.550 -4.199 0.537
178 HB3 GLN 22 HB3 GLN 22 1.507 -3.247 -0.599
179 HG2 GLN 22 HG2 GLN 22 3.526 -4.625 0.339
180 HG3 GLN 22 HG3 GLN 22 2.281 -5.747 0.889
181 HE21 GLN 22 HE21 GLN 22 0.769 -6.601 -0.848
182 HE22 GLN 22 HE22 GLN 22 1.352 -6.738 -2.437
183 H GLY 23 H GLY 23 2.104 -0.864 -0.077
184 HA2 GLY 23 HA2 GLY 23 4.874 -0.802 -0.726
185 HA3 GLY 23 HA3 GLY 23 3.782 0.580 -0.846
186 H LEU 24 H LEU 24 3.039 0.902 1.834
187 HA LEU 24 HA LEU 24 5.183 2.423 2.932
188 HB2 LEU 24 HB2 LEU 24 2.494 1.967 3.429
189 HB3 LEU 24 HB3 LEU 24 3.265 1.280 4.857
190 HG LEU 24 HG LEU 24 2.773 3.640 5.252
191 HD11 LEU 24 HD11 LEU 24 5.745 3.381 4.740
192 HD12 LEU 24 HD12 LEU 24 4.934 2.588 6.089
193 HD13 LEU 24 HD13 LEU 24 4.944 4.348 5.977
194 HD21 LEU 24 HD21 LEU 24 4.571 4.211 2.875
195 HD22 LEU 24 HD22 LEU 24 3.715 5.397 3.859
196 HD23 LEU 24 HD23 LEU 24 2.810 4.292 2.825
197 H LEU 25 H LEU 25 4.074 -0.892 3.701
198 HA LEU 25 HA LEU 25 6.028 -1.431 5.751
199 HB2 LEU 25 HB2 LEU 25 3.814 -2.622 5.101
200 HB3 LEU 25 HB3 LEU 25 4.774 -3.447 3.873
201 HG LEU 25 HG LEU 25 5.940 -3.422 6.600
202 HD11 LEU 25 HD11 LEU 25 4.477 -5.128 7.473
203 HD12 LEU 25 HD12 LEU 25 3.590 -5.220 5.951
204 HD13 LEU 25 HD13 LEU 25 3.462 -3.781 6.962
205 HD21 LEU 25 HD21 LEU 25 6.746 -4.622 4.440
206 HD22 LEU 25 HD22 LEU 25 5.451 -5.771 4.769
207 HD23 LEU 25 HD23 LEU 25 6.747 -5.543 5.943
208 H GLN 26 H GLN 26 5.944 -2.048 2.236
209 HA GLN 26 HA GLN 26 8.482 -3.407 2.071
210 HB2 GLN 26 HB2 GLN 26 6.803 -1.846 0.080
211 HB3 GLN 26 HB3 GLN 26 8.197 -2.827 -0.371
212 HG2 GLN 26 HG2 GLN 26 5.940 -4.003 1.249
213 HG3 GLN 26 HG3 GLN 26 5.841 -3.919 -0.509
214 HE21 GLN 26 HE21 GLN 26 7.482 -5.148 -1.757
215 HE22 GLN 26 HE22 GLN 26 8.322 -6.431 -1.029
216 H GLN 27 H GLN 27 7.540 0.014 2.003
217 HA GLN 27 HA GLN 27 9.936 1.148 0.967
218 HB2 GLN 27 HB2 GLN 27 7.643 1.981 2.682
219 HB3 GLN 27 HB3 GLN 27 9.067 3.021 2.713
220 HG2 GLN 27 HG2 GLN 27 8.900 3.549 0.448
221 HG3 GLN 27 HG3 GLN 27 7.990 2.087 0.070
222 HE21 GLN 27 HE21 GLN 27 7.681 5.270 1.709
223 HE22 GLN 27 HE22 GLN 27 5.995 5.365 1.535
224 H ALA 28 H ALA 28 9.029 0.351 4.324
225 HA ALA 28 HA ALA 28 11.408 1.258 5.614
226 HB1 ALA 28 HB1 ALA 28 10.650 -0.675 7.244
227 HB2 ALA 28 HB2 ALA 28 9.263 -0.777 6.161
228 HB3 ALA 28 HB3 ALA 28 9.604 0.727 7.015
229 H SER 29 H SER 29 10.561 -1.929 4.277
230 HA SER 29 HA SER 29 13.073 -3.220 4.891
231 HB2 SER 29 HB2 SER 29 10.737 -4.178 4.283
232 HB3 SER 29 HB3 SER 29 11.206 -3.895 2.609
233 HG SER 29 HG SER 29 11.775 -5.991 3.266
234 H LYS 30 H LYS 30 11.861 -1.386 2.098
235 HA LYS 30 HA LYS 30 13.873 -1.948 0.184
236 HB2 LYS 30 HB2 LYS 30 11.712 -0.663 -0.076
237 HB3 LYS 30 HB3 LYS 30 12.491 0.699 0.728
238 HG2 LYS 30 HG2 LYS 30 14.276 0.641 -1.042
239 HG3 LYS 30 HG3 LYS 30 13.331 -0.589 -1.883
240 HD2 LYS 30 HD2 LYS 30 12.541 1.330 -2.924
241 HD3 LYS 30 HD3 LYS 30 11.379 1.180 -1.607
242 HE2 LYS 30 HE2 LYS 30 12.587 2.812 -0.270
243 HE3 LYS 30 HE3 LYS 30 13.903 2.870 -1.458
244 HZ1 LYS 30 HZ1 LYS 30 12.199 4.663 -1.718
245 HZ2 LYS 30 HZ2 LYS 30 11.068 3.461 -2.126
246 HZ3 LYS 30 HZ3 LYS 30 12.436 3.714 -3.104
247 H GLN 31 H GLN 31 13.816 0.532 2.762
248 HA GLN 31 HA GLN 31 16.427 1.632 2.102
249 HB2 GLN 31 HB2 GLN 31 14.591 1.765 4.515
250 HB3 GLN 31 HB3 GLN 31 16.071 2.714 4.374
251 HG2 GLN 31 HG2 GLN 31 15.237 4.006 2.616
252 HG3 GLN 31 HG3 GLN 31 14.052 2.787 2.148
253 HE21 GLN 31 HE21 GLN 31 12.354 2.341 4.049
254 HE22 GLN 31 HE22 GLN 31 11.767 3.729 4.828
255 H ALA 32 H ALA 32 15.245 -0.903 4.280
256 HA ALA 32 HA ALA 32 17.748 -1.233 5.734
257 HB1 ALA 32 HB1 ALA 32 16.576 -3.244 6.583
258 HB2 ALA 32 HB2 ALA 32 15.341 -3.045 5.339
259 HB3 ALA 32 HB3 ALA 32 15.515 -1.835 6.610
260 H GLN 33 H GLN 33 16.301 -2.695 2.834
261 HA GLN 33 HA GLN 33 18.416 -4.738 2.612
262 HB2 GLN 33 HB2 GLN 33 15.955 -4.982 1.998
263 HB3 GLN 33 HB3 GLN 33 16.281 -3.930 0.620
264 HG2 GLN 33 HG2 GLN 33 16.470 -6.213 -0.149
265 HG3 GLN 33 HG3 GLN 33 18.099 -5.540 -0.077
266 HE21 GLN 33 HE21 GLN 33 19.583 -6.880 0.968
267 HE22 GLN 33 HE22 GLN 33 19.191 -8.032 2.149
268 H ASP 34 H ASP 34 17.618 -1.599 1.156
269 HA ASP 34 HA ASP 34 18.829 -0.213 -0.316
270 HB2 ASP 34 HB2 ASP 34 20.454 -0.846 1.634
271 HB3 ASP 34 HB3 ASP 34 21.244 -1.864 0.430
272 H ILE 35 H ILE 35 17.549 -1.715 -1.939
273 HA ILE 35 HA ILE 35 19.555 -2.930 -3.806
274 HB ILE 35 HB ILE 35 18.185 -4.548 -2.378
275 HG12 ILE 35 HG12 ILE 35 17.479 -4.970 -5.263
276 HG13 ILE 35 HG13 ILE 35 19.184 -4.871 -4.820
277 HG21 ILE 35 HG21 ILE 35 15.892 -4.707 -2.595
278 HG22 ILE 35 HG22 ILE 35 15.895 -4.065 -4.238
279 HG23 ILE 35 HG23 ILE 35 16.082 -2.975 -2.865
280 HD11 ILE 35 HD11 ILE 35 17.120 -6.824 -3.774
281 HD12 ILE 35 HD12 ILE 35 18.706 -6.612 -3.031
282 HD13 ILE 35 HD13 ILE 35 18.581 -7.190 -4.692
283 H GLN 36 H GLN 36 18.135 -0.238 -3.739
284 HA GLN 36 HA GLN 36 16.621 -0.469 -6.321
285 HB2 GLN 36 HB2 GLN 36 15.424 0.287 -4.207
286 HB3 GLN 36 HB3 GLN 36 16.467 1.710 -4.215
287 HG2 GLN 36 HG2 GLN 36 15.492 2.588 -6.138
288 HG3 GLN 36 HG3 GLN 36 14.961 1.007 -6.714
289 HE21 GLN 36 HE21 GLN 36 12.907 0.203 -5.964
290 HE22 GLN 36 HE22 GLN 36 11.856 1.135 -5.011
291 HA PRO 37 HA PRO 37 20.435 1.902 -7.290
292 HB2 PRO 37 HB2 PRO 37 20.805 0.809 -9.769
293 HB3 PRO 37 HB3 PRO 37 21.394 0.044 -8.281
294 HG2 PRO 37 HG2 PRO 37 19.025 -0.615 -9.936
295 HG3 PRO 37 HG3 PRO 37 20.097 -1.681 -9.018
296 HD2 PRO 37 HD2 PRO 37 17.586 -0.878 -8.197
297 HD3 PRO 37 HD3 PRO 37 18.867 -1.480 -7.122
298 H ALA 38 H ALA 38 18.757 3.687 -7.354
299 HA ALA 38 HA ALA 38 17.434 4.168 -9.960
300 HB1 ALA 38 HB1 ALA 38 16.316 5.931 -8.738
301 HB2 ALA 38 HB2 ALA 38 17.516 5.862 -7.447
302 HB3 ALA 38 HB3 ALA 38 16.391 4.523 -7.678
303 H MET 39 H MET 39 20.099 5.488 -8.008
304 HA MET 39 HA MET 39 20.584 7.673 -9.947
305 HB2 MET 39 HB2 MET 39 20.749 7.901 -7.445
306 HB3 MET 39 HB3 MET 39 22.126 6.800 -7.481
307 HG2 MET 39 HG2 MET 39 23.423 8.328 -8.803
308 HG3 MET 39 HG3 MET 39 22.020 9.352 -9.106
309 HE1 MET 39 HE1 MET 39 24.819 9.251 -5.553
310 HE2 MET 39 HE2 MET 39 25.121 8.932 -7.260
311 HE3 MET 39 HE3 MET 39 24.219 7.763 -6.299
312 H GLN 40 H GLN 40 22.543 4.987 -8.569
313 HA GLN 40 HA GLN 40 24.301 3.726 -9.499
314 HB2 GLN 40 HB2 GLN 40 22.251 3.552 -11.157
315 HB3 GLN 40 HB3 GLN 40 23.280 4.517 -12.215
316 HG2 GLN 40 HG2 GLN 40 24.051 2.449 -12.841
317 HG3 GLN 40 HG3 GLN 40 25.084 2.671 -11.429
318 HE21 GLN 40 HE21 GLN 40 23.456 0.256 -12.774
319 HE22 GLN 40 HE22 GLN 40 22.813 -0.523 -11.410
Start of MODEL 35
1 HA ALA 1 HA ALA 1 -23.682 7.357 -5.992
2 HB1 ALA 1 HB1 ALA 1 -24.827 9.238 -3.913
3 HB2 ALA 1 HB2 ALA 1 -23.318 9.579 -4.758
4 HB3 ALA 1 HB3 ALA 1 -23.455 8.145 -3.742
5 H SER 2 H SER 2 -24.645 5.461 -5.267
6 HA SER 2 HA SER 2 -27.503 5.565 -4.372
7 HB2 SER 2 HB2 SER 2 -26.233 3.833 -6.514
8 HB3 SER 2 HB3 SER 2 -27.837 3.534 -5.849
9 HG SER 2 HG SER 2 -27.335 5.052 -7.836
10 H ARG 3 H ARG 3 -28.102 3.761 -3.007
11 HA ARG 3 HA ARG 3 -26.049 2.783 -1.255
12 HB2 ARG 3 HB2 ARG 3 -27.889 1.499 -0.271
13 HB3 ARG 3 HB3 ARG 3 -28.461 3.110 -0.693
14 HG2 ARG 3 HG2 ARG 3 -28.805 1.333 -2.948
15 HG3 ARG 3 HG3 ARG 3 -29.554 0.633 -1.515
16 HD2 ARG 3 HD2 ARG 3 -30.403 3.198 -1.253
17 HD3 ARG 3 HD3 ARG 3 -30.298 3.087 -3.022
18 HE ARG 3 HE ARG 3 -32.148 1.578 -1.319
19 HH11 ARG 3 HH11 ARG 3 -32.400 2.731 -4.219
20 HH12 ARG 3 HH12 ARG 3 -32.616 1.258 -5.103
21 HH21 ARG 3 HH21 ARG 3 -31.563 -0.775 -2.489
22 HH22 ARG 3 HH22 ARG 3 -32.149 -0.736 -4.118
23 H ALA 4 H ALA 4 -27.408 1.508 -4.238
24 HA ALA 4 HA ALA 4 -26.400 -1.213 -3.891
25 HB1 ALA 4 HB1 ALA 4 -28.354 -0.619 -5.290
26 HB2 ALA 4 HB2 ALA 4 -27.102 -1.388 -6.266
27 HB3 ALA 4 HB3 ALA 4 -27.317 0.361 -6.326
28 H ALA 5 H ALA 5 -25.337 1.730 -5.612
29 HA ALA 5 HA ALA 5 -23.015 0.578 -6.870
30 HB1 ALA 5 HB1 ALA 5 -22.594 2.802 -7.499
31 HB2 ALA 5 HB2 ALA 5 -23.237 3.450 -5.991
32 HB3 ALA 5 HB3 ALA 5 -24.335 2.822 -7.220
33 H LEU 6 H LEU 6 -23.635 1.731 -3.609
34 HA LEU 6 HA LEU 6 -21.008 2.336 -2.714
35 HB2 LEU 6 HB2 LEU 6 -23.371 2.518 -1.608
36 HB3 LEU 6 HB3 LEU 6 -23.058 0.873 -1.053
37 HG LEU 6 HG LEU 6 -20.688 2.147 -0.452
38 HD11 LEU 6 HD11 LEU 6 -22.650 4.054 0.687
39 HD12 LEU 6 HD12 LEU 6 -22.319 4.248 -1.033
40 HD13 LEU 6 HD13 LEU 6 -20.999 4.332 0.132
41 HD21 LEU 6 HD21 LEU 6 -23.122 1.933 1.348
42 HD22 LEU 6 HD22 LEU 6 -21.436 1.975 1.863
43 HD23 LEU 6 HD23 LEU 6 -22.047 0.589 0.961
44 H ILE 7 H ILE 7 -22.711 -0.808 -2.887
45 HA ILE 7 HA ILE 7 -20.662 -2.398 -1.648
46 HB ILE 7 HB ILE 7 -22.774 -3.046 -3.741
47 HG12 ILE 7 HG12 ILE 7 -23.149 -3.940 -0.963
48 HG13 ILE 7 HG13 ILE 7 -23.096 -2.185 -1.125
49 HG21 ILE 7 HG21 ILE 7 -21.469 -4.982 -1.817
50 HG22 ILE 7 HG22 ILE 7 -20.841 -4.721 -3.444
51 HG23 ILE 7 HG23 ILE 7 -22.473 -5.350 -3.219
52 HD11 ILE 7 HD11 ILE 7 -24.874 -4.038 -2.740
53 HD12 ILE 7 HD12 ILE 7 -24.833 -2.279 -2.865
54 HD13 ILE 7 HD13 ILE 7 -25.402 -3.045 -1.382
55 H GLU 8 H GLU 8 -21.325 -1.622 -5.084
56 HA GLU 8 HA GLU 8 -19.123 -3.095 -6.201
57 HB2 GLU 8 HB2 GLU 8 -21.238 -2.038 -7.277
58 HB3 GLU 8 HB3 GLU 8 -20.309 -0.539 -7.307
59 HG2 GLU 8 HG2 GLU 8 -18.557 -1.614 -8.637
60 HG3 GLU 8 HG3 GLU 8 -19.407 -3.157 -8.550
61 H GLU 9 H GLU 9 -19.449 0.251 -5.020
62 HA GLU 9 HA GLU 9 -16.930 1.290 -5.846
63 HB2 GLU 9 HB2 GLU 9 -19.100 2.294 -4.685
64 HB3 GLU 9 HB3 GLU 9 -18.173 2.012 -3.211
65 HG2 GLU 9 HG2 GLU 9 -17.427 4.138 -3.717
66 HG3 GLU 9 HG3 GLU 9 -16.249 3.198 -4.632
67 H GLY 10 H GLY 10 -17.836 -0.593 -2.948
68 HA2 GLY 10 HA2 GLY 10 -15.411 -0.338 -1.494
69 HA3 GLY 10 HA3 GLY 10 -16.497 -1.721 -1.380
70 H GLN 11 H GLN 11 -16.320 -2.609 -4.091
71 HA GLN 11 HA GLN 11 -13.996 -4.270 -4.017
72 HB2 GLN 11 HB2 GLN 11 -16.295 -4.265 -5.389
73 HB3 GLN 11 HB3 GLN 11 -15.286 -3.490 -6.610
74 HG2 GLN 11 HG2 GLN 11 -14.389 -6.024 -5.237
75 HG3 GLN 11 HG3 GLN 11 -15.450 -6.079 -6.645
76 HE21 GLN 11 HE21 GLN 11 -14.562 -4.561 -8.551
77 HE22 GLN 11 HE22 GLN 11 -12.892 -4.675 -8.836
78 H ARG 12 H ARG 12 -14.656 -1.229 -5.778
79 HA ARG 12 HA ARG 12 -12.172 -1.012 -7.176
80 HB2 ARG 12 HB2 ARG 12 -14.444 0.320 -7.263
81 HB3 ARG 12 HB3 ARG 12 -13.679 1.345 -6.049
82 HG2 ARG 12 HG2 ARG 12 -11.698 1.013 -7.985
83 HG3 ARG 12 HG3 ARG 12 -13.181 1.194 -8.924
84 HD2 ARG 12 HD2 ARG 12 -13.327 3.119 -6.838
85 HD3 ARG 12 HD3 ARG 12 -11.695 3.234 -7.526
86 HE ARG 12 HE ARG 12 -12.754 3.484 -9.767
87 HH11 ARG 12 HH11 ARG 12 -13.715 5.764 -7.987
88 HH12 ARG 12 HH12 ARG 12 -15.413 5.769 -8.326
89 HH21 ARG 12 HH21 ARG 12 -15.397 2.616 -9.787
90 HH22 ARG 12 HH22 ARG 12 -16.371 3.976 -9.339
91 H ILE 13 H ILE 13 -13.178 0.150 -3.947
92 HA ILE 13 HA ILE 13 -10.677 1.429 -3.273
93 HB ILE 13 HB ILE 13 -12.934 0.257 -1.606
94 HG12 ILE 13 HG12 ILE 13 -13.673 2.052 -3.097
95 HG13 ILE 13 HG13 ILE 13 -13.637 2.646 -1.439
96 HG21 ILE 13 HG21 ILE 13 -11.276 0.483 -0.003
97 HG22 ILE 13 HG22 ILE 13 -11.949 2.114 0.015
98 HG23 ILE 13 HG23 ILE 13 -10.461 1.783 -0.874
99 HD11 ILE 13 HD11 ILE 13 -12.588 4.365 -2.672
100 HD12 ILE 13 HD12 ILE 13 -11.702 3.223 -3.679
101 HD13 ILE 13 HD13 ILE 13 -11.238 3.456 -1.994
102 H ALA 14 H ALA 14 -12.006 -1.841 -2.672
103 HA ALA 14 HA ALA 14 -9.978 -2.904 -1.011
104 HB1 ALA 14 HB1 ALA 14 -10.768 -5.060 -1.885
105 HB2 ALA 14 HB2 ALA 14 -11.480 -4.251 -3.281
106 HB3 ALA 14 HB3 ALA 14 -12.138 -3.971 -1.668
107 H GLU 15 H GLU 15 -10.044 -2.581 -4.566
108 HA GLU 15 HA GLU 15 -7.551 -3.974 -5.055
109 HB2 GLU 15 HB2 GLU 15 -9.189 -1.929 -6.591
110 HB3 GLU 15 HB3 GLU 15 -7.790 -2.756 -7.273
111 HG2 GLU 15 HG2 GLU 15 -8.844 -4.903 -7.063
112 HG3 GLU 15 HG3 GLU 15 -10.151 -4.234 -6.085
113 H MET 16 H MET 16 -8.425 -0.535 -4.637
114 HA MET 16 HA MET 16 -5.823 0.579 -5.106
115 HB2 MET 16 HB2 MET 16 -8.230 1.609 -4.896
116 HB3 MET 16 HB3 MET 16 -7.845 1.712 -3.178
117 HG2 MET 16 HG2 MET 16 -6.141 3.258 -3.511
118 HG3 MET 16 HG3 MET 16 -5.844 2.730 -5.168
119 HE1 MET 16 HE1 MET 16 -6.967 6.530 -4.945
120 HE2 MET 16 HE2 MET 16 -5.933 5.565 -5.997
121 HE3 MET 16 HE3 MET 16 -5.768 5.431 -4.248
122 H LEU 17 H LEU 17 -7.326 -0.866 -2.243
123 HA LEU 17 HA LEU 17 -5.599 0.052 -0.195
124 HB2 LEU 17 HB2 LEU 17 -7.748 -1.372 -0.132
125 HB3 LEU 17 HB3 LEU 17 -6.697 -2.756 -0.433
126 HG LEU 17 HG LEU 17 -5.555 -1.150 1.665
127 HD11 LEU 17 HD11 LEU 17 -7.292 -1.267 3.340
128 HD12 LEU 17 HD12 LEU 17 -8.369 -2.122 2.236
129 HD13 LEU 17 HD13 LEU 17 -7.963 -0.432 1.938
130 HD21 LEU 17 HD21 LEU 17 -6.888 -3.847 1.945
131 HD22 LEU 17 HD22 LEU 17 -5.469 -3.235 2.795
132 HD23 LEU 17 HD23 LEU 17 -5.359 -3.660 1.087
133 H LYS 18 H LYS 18 -5.120 -2.459 -2.629
134 HA LYS 18 HA LYS 18 -2.849 -3.799 -1.570
135 HB2 LYS 18 HB2 LYS 18 -4.316 -4.253 -3.651
136 HB3 LYS 18 HB3 LYS 18 -3.272 -3.101 -4.485
137 HG2 LYS 18 HG2 LYS 18 -1.292 -4.475 -3.777
138 HG3 LYS 18 HG3 LYS 18 -2.413 -5.671 -3.126
139 HD2 LYS 18 HD2 LYS 18 -3.304 -5.086 -5.751
140 HD3 LYS 18 HD3 LYS 18 -1.557 -5.304 -5.853
141 HE2 LYS 18 HE2 LYS 18 -1.777 -7.467 -4.622
142 HE3 LYS 18 HE3 LYS 18 -3.539 -7.261 -4.632
143 HZ1 LYS 18 HZ1 LYS 18 -1.789 -7.296 -7.039
144 HZ2 LYS 18 HZ2 LYS 18 -3.477 -7.088 -7.043
145 HZ3 LYS 18 HZ3 LYS 18 -2.800 -8.564 -6.543
146 H SER 19 H SER 19 -3.075 -0.798 -3.496
147 HA SER 19 HA SER 19 -0.275 -0.331 -3.856
148 HB2 SER 19 HB2 SER 19 -2.517 1.688 -3.513
149 HB3 SER 19 HB3 SER 19 -1.009 1.929 -4.390
150 HG SER 19 HG SER 19 -2.425 1.364 -5.939
151 H LYS 20 H LYS 20 -2.521 0.630 -1.243
152 HA LYS 20 HA LYS 20 -0.701 2.250 0.260
153 HB2 LYS 20 HB2 LYS 20 -3.267 1.888 0.430
154 HB3 LYS 20 HB3 LYS 20 -2.864 0.491 1.428
155 HG2 LYS 20 HG2 LYS 20 -1.656 1.895 3.003
156 HG3 LYS 20 HG3 LYS 20 -1.878 3.307 1.967
157 HD2 LYS 20 HD2 LYS 20 -4.430 2.748 2.208
158 HD3 LYS 20 HD3 LYS 20 -3.909 1.847 3.634
159 HE2 LYS 20 HE2 LYS 20 -2.781 3.903 4.495
160 HE3 LYS 20 HE3 LYS 20 -3.412 4.799 3.098
161 HZ1 LYS 20 HZ1 LYS 20 -5.655 4.105 3.724
162 HZ2 LYS 20 HZ2 LYS 20 -4.921 4.989 4.976
163 HZ3 LYS 20 HZ3 LYS 20 -5.042 3.299 5.085
164 H ILE 21 H ILE 21 -1.407 -1.253 0.378
165 HA ILE 21 HA ILE 21 0.266 -1.906 2.609
166 HB ILE 21 HB ILE 21 -0.610 -3.472 0.157
167 HG12 ILE 21 HG12 ILE 21 -1.721 -3.763 2.937
168 HG13 ILE 21 HG13 ILE 21 -2.277 -2.436 1.918
169 HG21 ILE 21 HG21 ILE 21 -0.224 -5.456 1.742
170 HG22 ILE 21 HG22 ILE 21 0.729 -4.344 2.726
171 HG23 ILE 21 HG23 ILE 21 1.218 -4.697 1.068
172 HD11 ILE 21 HD11 ILE 21 -3.619 -4.623 1.791
173 HD12 ILE 21 HD12 ILE 21 -2.233 -5.290 0.930
174 HD13 ILE 21 HD13 ILE 21 -3.111 -3.916 0.259
175 H GLN 22 H GLN 22 0.930 -1.607 -0.859
176 HA GLN 22 HA GLN 22 3.628 -2.613 -0.828
177 HB2 GLN 22 HB2 GLN 22 1.783 -1.791 -2.696
178 HB3 GLN 22 HB3 GLN 22 2.938 -0.460 -2.740
179 HG2 GLN 22 HG2 GLN 22 3.937 -1.886 -4.262
180 HG3 GLN 22 HG3 GLN 22 4.701 -2.457 -2.779
181 HE21 GLN 22 HE21 GLN 22 4.164 -4.584 -2.031
182 HE22 GLN 22 HE22 GLN 22 3.132 -5.627 -2.884
183 H GLY 23 H GLY 23 2.247 0.652 -0.379
184 HA2 GLY 23 HA2 GLY 23 4.714 2.096 -0.281
185 HA3 GLY 23 HA3 GLY 23 3.207 2.620 0.475
186 H LEU 24 H LEU 24 2.805 0.475 2.259
187 HA LEU 24 HA LEU 24 4.435 1.212 4.501
188 HB2 LEU 24 HB2 LEU 24 2.126 0.194 4.500
189 HB3 LEU 24 HB3 LEU 24 2.854 -1.338 4.017
190 HG LEU 24 HG LEU 24 4.385 -0.991 6.105
191 HD11 LEU 24 HD11 LEU 24 3.689 1.323 6.563
192 HD12 LEU 24 HD12 LEU 24 3.256 0.275 7.914
193 HD13 LEU 24 HD13 LEU 24 2.019 0.792 6.767
194 HD21 LEU 24 HD21 LEU 24 1.436 -1.592 6.496
195 HD22 LEU 24 HD22 LEU 24 2.770 -2.175 7.492
196 HD23 LEU 24 HD23 LEU 24 2.603 -2.733 5.827
197 H LEU 25 H LEU 25 4.633 -1.459 2.160
198 HA LEU 25 HA LEU 25 6.751 -2.939 3.422
199 HB2 LEU 25 HB2 LEU 25 5.103 -3.533 1.507
200 HB3 LEU 25 HB3 LEU 25 6.246 -2.704 0.449
201 HG LEU 25 HG LEU 25 8.025 -4.234 1.636
202 HD11 LEU 25 HD11 LEU 25 6.913 -6.496 2.112
203 HD12 LEU 25 HD12 LEU 25 5.390 -5.609 2.192
204 HD13 LEU 25 HD13 LEU 25 6.686 -5.241 3.330
205 HD21 LEU 25 HD21 LEU 25 7.182 -4.275 -0.785
206 HD22 LEU 25 HD22 LEU 25 6.081 -5.554 -0.272
207 HD23 LEU 25 HD23 LEU 25 7.824 -5.795 -0.161
208 H GLN 26 H GLN 26 6.739 -0.299 1.018
209 HA GLN 26 HA GLN 26 9.549 -0.251 0.460
210 HB2 GLN 26 HB2 GLN 26 7.235 1.066 -0.337
211 HB3 GLN 26 HB3 GLN 26 8.154 2.338 0.465
212 HG2 GLN 26 HG2 GLN 26 9.438 2.527 -1.373
213 HG3 GLN 26 HG3 GLN 26 10.006 0.879 -1.113
214 HE21 GLN 26 HE21 GLN 26 9.840 -0.159 -3.122
215 HE22 GLN 26 HE22 GLN 26 8.467 -0.116 -4.118
216 H GLN 27 H GLN 27 7.590 1.393 2.960
217 HA GLN 27 HA GLN 27 9.700 3.010 4.050
218 HB2 GLN 27 HB2 GLN 27 6.982 2.660 4.413
219 HB3 GLN 27 HB3 GLN 27 7.649 2.032 5.921
220 HG2 GLN 27 HG2 GLN 27 8.983 4.493 5.122
221 HG3 GLN 27 HG3 GLN 27 7.243 4.730 5.280
222 HE21 GLN 27 HE21 GLN 27 9.852 2.988 7.102
223 HE22 GLN 27 HE22 GLN 27 9.295 3.471 8.629
224 H ALA 28 H ALA 28 8.708 -0.327 4.614
225 HA ALA 28 HA ALA 28 10.459 -0.720 6.928
226 HB1 ALA 28 HB1 ALA 28 8.481 -2.042 6.803
227 HB2 ALA 28 HB2 ALA 28 9.784 -3.158 6.394
228 HB3 ALA 28 HB3 ALA 28 8.783 -2.466 5.118
229 H SER 29 H SER 29 10.822 -0.830 3.484
230 HA SER 29 HA SER 29 13.058 -2.680 3.358
231 HB2 SER 29 HB2 SER 29 11.360 -1.829 1.558
232 HB3 SER 29 HB3 SER 29 12.477 -0.478 1.383
233 HG SER 29 HG SER 29 12.668 -2.892 0.339
234 H LYS 30 H LYS 30 12.801 0.566 4.467
235 HA LYS 30 HA LYS 30 15.139 1.875 3.662
236 HB2 LYS 30 HB2 LYS 30 13.552 1.734 6.220
237 HB3 LYS 30 HB3 LYS 30 14.999 2.738 6.141
238 HG2 LYS 30 HG2 LYS 30 13.795 3.509 3.843
239 HG3 LYS 30 HG3 LYS 30 12.371 3.095 4.798
240 HD2 LYS 30 HD2 LYS 30 13.297 4.529 6.657
241 HD3 LYS 30 HD3 LYS 30 14.558 5.057 5.543
242 HE2 LYS 30 HE2 LYS 30 13.153 6.569 4.614
243 HE3 LYS 30 HE3 LYS 30 11.967 5.297 4.265
244 HZ1 LYS 30 HZ1 LYS 30 11.036 6.875 5.826
245 HZ2 LYS 30 HZ2 LYS 30 12.352 6.668 6.881
246 HZ3 LYS 30 HZ3 LYS 30 11.271 5.385 6.601
247 H GLN 31 H GLN 31 14.801 -0.689 6.116
248 HA GLN 31 HA GLN 31 17.375 -0.627 7.289
249 HB2 GLN 31 HB2 GLN 31 15.348 -1.994 7.919
250 HB3 GLN 31 HB3 GLN 31 15.713 -3.062 6.565
251 HG2 GLN 31 HG2 GLN 31 18.127 -2.716 8.035
252 HG3 GLN 31 HG3 GLN 31 16.852 -3.074 9.200
253 HE21 GLN 31 HE21 GLN 31 15.523 -5.088 8.747
254 HE22 GLN 31 HE22 GLN 31 16.249 -6.367 7.901
255 H ALA 32 H ALA 32 16.304 -2.298 4.303
256 HA ALA 32 HA ALA 32 19.002 -3.328 3.740
257 HB1 ALA 32 HB1 ALA 32 16.741 -4.412 3.212
258 HB2 ALA 32 HB2 ALA 32 17.905 -4.381 1.887
259 HB3 ALA 32 HB3 ALA 32 16.581 -3.218 1.924
260 H GLN 33 H GLN 33 16.984 -0.596 2.761
261 HA GLN 33 HA GLN 33 18.339 0.246 0.407
262 HB2 GLN 33 HB2 GLN 33 16.166 1.080 1.295
263 HB3 GLN 33 HB3 GLN 33 17.032 1.890 2.600
264 HG2 GLN 33 HG2 GLN 33 18.182 2.560 0.013
265 HG3 GLN 33 HG3 GLN 33 16.462 2.950 0.065
266 HE21 GLN 33 HE21 GLN 33 15.774 4.200 2.154
267 HE22 GLN 33 HE22 GLN 33 16.869 5.354 2.745
268 H ASP 34 H ASP 34 19.271 0.504 3.790
269 HA ASP 34 HA ASP 34 21.082 2.646 3.817
270 HB2 ASP 34 HB2 ASP 34 20.295 1.011 5.647
271 HB3 ASP 34 HB3 ASP 34 21.592 -0.049 5.095
272 H ILE 35 H ILE 35 21.696 -0.716 2.716
273 HA ILE 35 HA ILE 35 24.285 0.247 1.536
274 HB ILE 35 HB ILE 35 25.046 -2.093 1.879
275 HG12 ILE 35 HG12 ILE 35 22.847 -2.836 3.670
276 HG13 ILE 35 HG13 ILE 35 22.321 -2.664 1.996
277 HG21 ILE 35 HG21 ILE 35 25.040 -2.039 4.385
278 HG22 ILE 35 HG22 ILE 35 23.866 -0.724 4.314
279 HG23 ILE 35 HG23 ILE 35 25.485 -0.495 3.657
280 HD11 ILE 35 HD11 ILE 35 23.050 -4.946 2.300
281 HD12 ILE 35 HD12 ILE 35 24.564 -4.418 3.032
282 HD13 ILE 35 HD13 ILE 35 24.264 -4.125 1.319
283 H GLN 36 H GLN 36 21.300 -0.198 0.471
284 HA GLN 36 HA GLN 36 22.192 -1.460 -2.090
285 HB2 GLN 36 HB2 GLN 36 19.879 -2.168 -0.286
286 HB3 GLN 36 HB3 GLN 36 19.812 -2.530 -2.009
287 HG2 GLN 36 HG2 GLN 36 21.545 -4.078 -1.894
288 HG3 GLN 36 HG3 GLN 36 22.246 -3.339 -0.455
289 HE21 GLN 36 HE21 GLN 36 19.523 -5.378 -1.565
290 HE22 GLN 36 HE22 GLN 36 19.196 -6.046 -0.039
291 HA PRO 37 HA PRO 37 20.130 2.205 -3.555
292 HB2 PRO 37 HB2 PRO 37 20.279 1.643 -6.232
293 HB3 PRO 37 HB3 PRO 37 21.665 2.223 -5.287
294 HG2 PRO 37 HG2 PRO 37 21.000 -0.538 -6.172
295 HG3 PRO 37 HG3 PRO 37 22.573 0.269 -6.070
296 HD2 PRO 37 HD2 PRO 37 21.670 -1.528 -4.222
297 HD3 PRO 37 HD3 PRO 37 22.834 -0.237 -3.857
298 H ALA 38 H ALA 38 17.954 2.599 -3.850
299 HA ALA 38 HA ALA 38 16.166 0.286 -4.427
300 HB1 ALA 38 HB1 ALA 38 15.586 3.102 -3.447
301 HB2 ALA 38 HB2 ALA 38 15.881 1.716 -2.397
302 HB3 ALA 38 HB3 ALA 38 14.460 1.747 -3.440
303 H MET 39 H MET 39 16.631 3.690 -5.470
304 HA MET 39 HA MET 39 14.739 3.512 -7.668
305 HB2 MET 39 HB2 MET 39 16.866 5.416 -6.709
306 HB3 MET 39 HB3 MET 39 16.108 5.673 -8.281
307 HG2 MET 39 HG2 MET 39 13.912 5.797 -7.278
308 HG3 MET 39 HG3 MET 39 14.550 5.318 -5.705
309 HE1 MET 39 HE1 MET 39 15.612 6.626 -4.095
310 HE2 MET 39 HE2 MET 39 16.312 8.234 -4.260
311 HE3 MET 39 HE3 MET 39 17.074 6.864 -5.063
312 H GLN 40 H GLN 40 18.244 3.045 -7.339
313 HA GLN 40 HA GLN 40 18.507 2.589 -10.275
314 HB2 GLN 40 HB2 GLN 40 20.498 2.864 -7.998
315 HB3 GLN 40 HB3 GLN 40 20.947 2.641 -9.689
316 HG2 GLN 40 HG2 GLN 40 19.043 4.773 -9.555
317 HG3 GLN 40 HG3 GLN 40 20.290 5.080 -8.347
318 HE21 GLN 40 HE21 GLN 40 20.108 3.942 -11.783
319 HE22 GLN 40 HE22 GLN 40 21.461 4.831 -12.293
Start of MODEL 36
1 HA ALA 1 HA ALA 1 -28.756 4.869 0.276
2 HB1 ALA 1 HB1 ALA 1 -30.577 5.407 1.771
3 HB2 ALA 1 HB2 ALA 1 -30.280 3.676 1.922
4 HB3 ALA 1 HB3 ALA 1 -31.645 4.256 0.968
5 H SER 2 H SER 2 -27.705 2.952 -0.144
6 HA SER 2 HA SER 2 -29.249 0.666 -1.296
7 HB2 SER 2 HB2 SER 2 -27.110 2.327 -2.522
8 HB3 SER 2 HB3 SER 2 -26.965 0.588 -2.762
9 HG SER 2 HG SER 2 -28.285 1.840 -4.323
10 H ARG 3 H ARG 3 -28.159 -1.397 -0.985
11 HA ARG 3 HA ARG 3 -26.280 -1.391 1.329
12 HB2 ARG 3 HB2 ARG 3 -27.998 -3.480 -0.047
13 HB3 ARG 3 HB3 ARG 3 -26.907 -3.860 1.284
14 HG2 ARG 3 HG2 ARG 3 -28.194 -2.745 2.844
15 HG3 ARG 3 HG3 ARG 3 -28.814 -1.591 1.663
16 HD2 ARG 3 HD2 ARG 3 -30.556 -2.957 1.046
17 HD3 ARG 3 HD3 ARG 3 -29.595 -4.436 1.243
18 HE ARG 3 HE ARG 3 -29.912 -4.235 3.685
19 HH11 ARG 3 HH11 ARG 3 -30.558 -1.268 3.685
20 HH12 ARG 3 HH12 ARG 3 -32.261 -1.286 4.001
21 HH21 ARG 3 HH21 ARG 3 -32.634 -4.651 3.214
22 HH22 ARG 3 HH22 ARG 3 -33.441 -3.209 3.731
23 H ALA 4 H ALA 4 -26.627 -3.016 -1.852
24 HA ALA 4 HA ALA 4 -24.006 -4.166 -1.930
25 HB1 ALA 4 HB1 ALA 4 -25.565 -3.257 -4.347
26 HB2 ALA 4 HB2 ALA 4 -26.168 -4.568 -3.331
27 HB3 ALA 4 HB3 ALA 4 -24.611 -4.726 -4.143
28 H ALA 5 H ALA 5 -25.191 -0.941 -2.767
29 HA ALA 5 HA ALA 5 -23.110 0.030 -4.415
30 HB1 ALA 5 HB1 ALA 5 -23.798 2.242 -3.435
31 HB2 ALA 5 HB2 ALA 5 -24.739 1.364 -2.228
32 HB3 ALA 5 HB3 ALA 5 -25.167 1.248 -3.935
33 H LEU 6 H LEU 6 -23.246 -0.166 -0.845
34 HA LEU 6 HA LEU 6 -20.793 1.198 -0.281
35 HB2 LEU 6 HB2 LEU 6 -22.534 -0.850 1.074
36 HB3 LEU 6 HB3 LEU 6 -20.990 -0.411 1.802
37 HG LEU 6 HG LEU 6 -22.174 2.032 1.070
38 HD11 LEU 6 HD11 LEU 6 -24.361 1.204 0.826
39 HD12 LEU 6 HD12 LEU 6 -24.329 1.740 2.505
40 HD13 LEU 6 HD13 LEU 6 -24.161 0.027 2.124
41 HD21 LEU 6 HD21 LEU 6 -22.348 2.314 3.549
42 HD22 LEU 6 HD22 LEU 6 -20.789 1.659 3.049
43 HD23 LEU 6 HD23 LEU 6 -22.013 0.593 3.739
44 H ILE 7 H ILE 7 -21.482 -2.270 -0.834
45 HA ILE 7 HA ILE 7 -18.812 -3.235 -0.413
46 HB ILE 7 HB ILE 7 -21.121 -4.254 -2.108
47 HG12 ILE 7 HG12 ILE 7 -20.439 -5.573 0.439
48 HG13 ILE 7 HG13 ILE 7 -20.991 -3.909 0.626
49 HG21 ILE 7 HG21 ILE 7 -18.592 -5.623 -1.143
50 HG22 ILE 7 HG22 ILE 7 -19.091 -5.370 -2.816
51 HG23 ILE 7 HG23 ILE 7 -19.990 -6.483 -1.786
52 HD11 ILE 7 HD11 ILE 7 -22.727 -5.917 0.524
53 HD12 ILE 7 HD12 ILE 7 -22.520 -5.706 -1.214
54 HD13 ILE 7 HD13 ILE 7 -23.094 -4.364 -0.224
55 H GLU 8 H GLU 8 -20.496 -2.073 -3.345
56 HA GLU 8 HA GLU 8 -18.442 -2.712 -5.240
57 HB2 GLU 8 HB2 GLU 8 -20.907 -1.980 -5.540
58 HB3 GLU 8 HB3 GLU 8 -20.304 -0.332 -5.370
59 HG2 GLU 8 HG2 GLU 8 -20.391 -0.901 -7.739
60 HG3 GLU 8 HG3 GLU 8 -18.703 -0.772 -7.244
61 H GLU 9 H GLU 9 -18.997 0.181 -3.218
62 HA GLU 9 HA GLU 9 -16.924 1.818 -4.337
63 HB2 GLU 9 HB2 GLU 9 -18.748 1.770 -2.063
64 HB3 GLU 9 HB3 GLU 9 -17.180 2.437 -1.608
65 HG2 GLU 9 HG2 GLU 9 -17.300 4.140 -3.253
66 HG3 GLU 9 HG3 GLU 9 -18.605 3.327 -4.117
67 H GLY 10 H GLY 10 -16.902 -0.593 -1.698
68 HA2 GLY 10 HA2 GLY 10 -14.194 -0.140 -0.866
69 HA3 GLY 10 HA3 GLY 10 -15.105 -1.625 -0.591
70 H GLN 11 H GLN 11 -15.617 -1.991 -3.512
71 HA GLN 11 HA GLN 11 -13.364 -3.633 -4.176
72 HB2 GLN 11 HB2 GLN 11 -15.560 -2.403 -5.882
73 HB3 GLN 11 HB3 GLN 11 -14.496 -3.705 -6.412
74 HG2 GLN 11 HG2 GLN 11 -15.505 -4.533 -3.913
75 HG3 GLN 11 HG3 GLN 11 -16.885 -3.859 -4.779
76 HE21 GLN 11 HE21 GLN 11 -17.550 -4.910 -6.788
77 HE22 GLN 11 HE22 GLN 11 -16.964 -6.444 -7.219
78 H ARG 12 H ARG 12 -14.381 -0.468 -5.574
79 HA ARG 12 HA ARG 12 -11.963 -0.151 -7.127
80 HB2 ARG 12 HB2 ARG 12 -12.835 2.127 -7.482
81 HB3 ARG 12 HB3 ARG 12 -14.127 0.942 -7.637
82 HG2 ARG 12 HG2 ARG 12 -15.086 1.532 -5.569
83 HG3 ARG 12 HG3 ARG 12 -13.603 2.289 -4.992
84 HD2 ARG 12 HD2 ARG 12 -15.012 4.128 -5.554
85 HD3 ARG 12 HD3 ARG 12 -13.943 3.967 -6.960
86 HE ARG 12 HE ARG 12 -16.397 2.356 -7.121
87 HH11 ARG 12 HH11 ARG 12 -17.247 5.234 -6.906
88 HH12 ARG 12 HH12 ARG 12 -17.258 5.733 -8.565
89 HH21 ARG 12 HH21 ARG 12 -15.356 3.039 -9.661
90 HH22 ARG 12 HH22 ARG 12 -16.184 4.487 -10.130
91 H ILE 13 H ILE 13 -12.854 0.750 -3.815
92 HA ILE 13 HA ILE 13 -10.612 2.542 -3.365
93 HB ILE 13 HB ILE 13 -12.552 0.986 -1.633
94 HG12 ILE 13 HG12 ILE 13 -12.127 3.972 -1.945
95 HG13 ILE 13 HG13 ILE 13 -13.244 3.052 -2.953
96 HG21 ILE 13 HG21 ILE 13 -10.684 1.067 -0.193
97 HG22 ILE 13 HG22 ILE 13 -11.583 2.524 0.228
98 HG23 ILE 13 HG23 ILE 13 -10.162 2.635 -0.811
99 HD11 ILE 13 HD11 ILE 13 -14.729 3.610 -1.301
100 HD12 ILE 13 HD12 ILE 13 -13.464 3.807 -0.087
101 HD13 ILE 13 HD13 ILE 13 -14.034 2.194 -0.514
102 H ALA 14 H ALA 14 -11.206 -0.928 -2.738
103 HA ALA 14 HA ALA 14 -8.651 -1.460 -1.493
104 HB1 ALA 14 HB1 ALA 14 -9.337 -3.814 -1.910
105 HB2 ALA 14 HB2 ALA 14 -10.624 -3.237 -2.968
106 HB3 ALA 14 HB3 ALA 14 -10.664 -2.861 -1.245
107 H GLU 15 H GLU 15 -9.822 -1.640 -4.863
108 HA GLU 15 HA GLU 15 -7.581 -2.946 -6.046
109 HB2 GLU 15 HB2 GLU 15 -9.623 -0.923 -6.989
110 HB3 GLU 15 HB3 GLU 15 -8.412 -1.586 -8.087
111 HG2 GLU 15 HG2 GLU 15 -10.008 -3.486 -6.407
112 HG3 GLU 15 HG3 GLU 15 -10.776 -2.761 -7.818
113 H MET 16 H MET 16 -8.186 0.526 -5.441
114 HA MET 16 HA MET 16 -5.688 1.435 -6.614
115 HB2 MET 16 HB2 MET 16 -8.078 2.492 -5.361
116 HB3 MET 16 HB3 MET 16 -6.651 3.291 -4.702
117 HG2 MET 16 HG2 MET 16 -7.068 4.600 -6.584
118 HG3 MET 16 HG3 MET 16 -5.921 3.427 -7.232
119 HE1 MET 16 HE1 MET 16 -9.183 5.055 -7.314
120 HE2 MET 16 HE2 MET 16 -9.847 3.666 -6.459
121 HE3 MET 16 HE3 MET 16 -10.336 3.985 -8.122
122 H LEU 17 H LEU 17 -6.731 0.515 -3.344
123 HA LEU 17 HA LEU 17 -4.512 1.484 -1.850
124 HB2 LEU 17 HB2 LEU 17 -6.708 -0.467 -1.584
125 HB3 LEU 17 HB3 LEU 17 -5.306 -0.824 -0.576
126 HG LEU 17 HG LEU 17 -6.453 1.961 -0.679
127 HD11 LEU 17 HD11 LEU 17 -7.330 -0.328 1.109
128 HD12 LEU 17 HD12 LEU 17 -8.326 0.509 -0.083
129 HD13 LEU 17 HD13 LEU 17 -7.766 1.364 1.354
130 HD21 LEU 17 HD21 LEU 17 -4.748 0.350 1.235
131 HD22 LEU 17 HD22 LEU 17 -5.496 1.878 1.701
132 HD23 LEU 17 HD23 LEU 17 -4.320 1.836 0.389
133 H LYS 18 H LYS 18 -4.810 -1.351 -3.909
134 HA LYS 18 HA LYS 18 -2.709 -2.988 -2.976
135 HB2 LYS 18 HB2 LYS 18 -3.899 -2.373 -5.677
136 HB3 LYS 18 HB3 LYS 18 -2.566 -3.517 -5.536
137 HG2 LYS 18 HG2 LYS 18 -4.956 -3.789 -3.731
138 HG3 LYS 18 HG3 LYS 18 -5.033 -4.398 -5.385
139 HD2 LYS 18 HD2 LYS 18 -2.561 -5.301 -4.444
140 HD3 LYS 18 HD3 LYS 18 -3.648 -5.513 -3.072
141 HE2 LYS 18 HE2 LYS 18 -4.433 -7.391 -4.071
142 HE3 LYS 18 HE3 LYS 18 -5.095 -6.370 -5.361
143 HZ1 LYS 18 HZ1 LYS 18 -3.537 -7.933 -6.304
144 HZ2 LYS 18 HZ2 LYS 18 -2.327 -7.452 -5.214
145 HZ3 LYS 18 HZ3 LYS 18 -2.882 -6.373 -6.404
146 H SER 19 H SER 19 -2.502 -0.337 -5.395
147 HA SER 19 HA SER 19 0.320 -0.474 -5.824
148 HB2 SER 19 HB2 SER 19 -1.750 1.729 -6.019
149 HB3 SER 19 HB3 SER 19 -0.082 1.957 -6.538
150 HG SER 19 HG SER 19 -2.115 0.694 -7.786
151 H LYS 20 H LYS 20 -1.612 1.264 -3.389
152 HA LYS 20 HA LYS 20 0.541 2.816 -2.268
153 HB2 LYS 20 HB2 LYS 20 -2.264 2.240 -1.817
154 HB3 LYS 20 HB3 LYS 20 -1.395 2.242 -0.282
155 HG2 LYS 20 HG2 LYS 20 -0.365 4.440 -1.694
156 HG3 LYS 20 HG3 LYS 20 -2.103 4.486 -1.989
157 HD2 LYS 20 HD2 LYS 20 -0.972 4.087 0.785
158 HD3 LYS 20 HD3 LYS 20 -1.251 5.696 0.119
159 HE2 LYS 20 HE2 LYS 20 -3.513 3.762 -0.121
160 HE3 LYS 20 HE3 LYS 20 -3.159 4.380 1.503
161 HZ1 LYS 20 HZ1 LYS 20 -3.398 6.579 0.808
162 HZ2 LYS 20 HZ2 LYS 20 -4.673 5.783 0.015
163 HZ3 LYS 20 HZ3 LYS 20 -3.262 6.188 -0.838
164 H ILE 21 H ILE 21 -0.759 -0.422 -1.528
165 HA ILE 21 HA ILE 21 0.779 -0.903 0.849
166 HB ILE 21 HB ILE 21 -0.442 -2.709 -1.262
167 HG12 ILE 21 HG12 ILE 21 -1.471 -2.372 1.534
168 HG13 ILE 21 HG13 ILE 21 -1.775 -1.081 0.371
169 HG21 ILE 21 HG21 ILE 21 -0.346 -4.384 0.734
170 HG22 ILE 21 HG22 ILE 21 0.934 -3.336 1.345
171 HG23 ILE 21 HG23 ILE 21 1.115 -4.130 -0.219
172 HD11 ILE 21 HD11 ILE 21 -2.902 -3.808 0.496
173 HD12 ILE 21 HD12 ILE 21 -2.407 -3.289 -1.115
174 HD13 ILE 21 HD13 ILE 21 -3.582 -2.340 -0.206
175 H GLN 22 H GLN 22 1.437 -1.497 -2.589
176 HA GLN 22 HA GLN 22 3.895 -2.951 -2.250
177 HB2 GLN 22 HB2 GLN 22 2.264 -2.458 -4.301
178 HB3 GLN 22 HB3 GLN 22 3.400 -1.141 -4.591
179 HG2 GLN 22 HG2 GLN 22 4.372 -2.878 -5.815
180 HG3 GLN 22 HG3 GLN 22 5.222 -3.009 -4.276
181 HE21 GLN 22 HE21 GLN 22 4.642 -4.810 -2.845
182 HE22 GLN 22 HE22 GLN 22 3.737 -6.128 -3.415
183 H GLY 23 H GLY 23 3.245 0.535 -2.801
184 HA2 GLY 23 HA2 GLY 23 5.996 1.361 -2.768
185 HA3 GLY 23 HA3 GLY 23 4.615 2.415 -2.451
186 H LEU 24 H LEU 24 3.517 1.109 -0.216
187 HA LEU 24 HA LEU 24 5.103 2.138 1.946
188 HB2 LEU 24 HB2 LEU 24 2.552 1.596 1.688
189 HB3 LEU 24 HB3 LEU 24 3.014 -0.021 2.216
190 HG LEU 24 HG LEU 24 4.017 2.313 3.798
191 HD11 LEU 24 HD11 LEU 24 1.197 1.203 3.962
192 HD12 LEU 24 HD12 LEU 24 1.641 2.841 3.478
193 HD13 LEU 24 HD13 LEU 24 1.924 2.303 5.133
194 HD21 LEU 24 HD21 LEU 24 4.792 0.289 4.663
195 HD22 LEU 24 HD22 LEU 24 3.321 -0.579 4.223
196 HD23 LEU 24 HD23 LEU 24 3.319 0.516 5.606
197 H LEU 25 H LEU 25 4.701 -1.137 0.592
198 HA LEU 25 HA LEU 25 6.175 -2.588 2.572
199 HB2 LEU 25 HB2 LEU 25 4.945 -2.999 0.008
200 HB3 LEU 25 HB3 LEU 25 6.556 -3.712 -0.033
201 HG LEU 25 HG LEU 25 4.913 -5.353 0.768
202 HD11 LEU 25 HD11 LEU 25 6.263 -6.182 2.438
203 HD12 LEU 25 HD12 LEU 25 6.356 -4.635 3.279
204 HD13 LEU 25 HD13 LEU 25 7.333 -4.916 1.838
205 HD21 LEU 25 HD21 LEU 25 3.402 -4.955 2.466
206 HD22 LEU 25 HD22 LEU 25 3.566 -3.307 1.857
207 HD23 LEU 25 HD23 LEU 25 4.466 -3.813 3.287
208 H GLN 26 H GLN 26 7.218 -0.881 -0.384
209 HA GLN 26 HA GLN 26 9.953 -1.709 -0.411
210 HB2 GLN 26 HB2 GLN 26 8.393 0.694 -1.359
211 HB3 GLN 26 HB3 GLN 26 10.142 0.635 -1.569
212 HG2 GLN 26 HG2 GLN 26 9.962 -1.449 -2.826
213 HG3 GLN 26 HG3 GLN 26 8.222 -1.501 -2.542
214 HE21 GLN 26 HE21 GLN 26 6.950 -0.535 -4.145
215 HE22 GLN 26 HE22 GLN 26 7.520 0.583 -5.288
216 H GLN 27 H GLN 27 8.345 1.044 1.205
217 HA GLN 27 HA GLN 27 10.804 2.040 2.424
218 HB2 GLN 27 HB2 GLN 27 7.840 2.573 2.714
219 HB3 GLN 27 HB3 GLN 27 9.034 3.410 3.706
220 HG2 GLN 27 HG2 GLN 27 10.094 4.367 1.771
221 HG3 GLN 27 HG3 GLN 27 9.149 3.353 0.680
222 HE21 GLN 27 HE21 GLN 27 9.180 6.378 2.354
223 HE22 GLN 27 HE22 GLN 27 7.590 6.844 1.984
224 H ALA 28 H ALA 28 8.016 0.120 3.505
225 HA ALA 28 HA ALA 28 8.672 -0.094 6.271
226 HB1 ALA 28 HB1 ALA 28 7.166 -2.054 6.165
227 HB2 ALA 28 HB2 ALA 28 7.308 -2.063 4.408
228 HB3 ALA 28 HB3 ALA 28 6.516 -0.713 5.220
229 H SER 29 H SER 29 9.815 -1.912 3.462
230 HA SER 29 HA SER 29 11.092 -4.091 4.785
231 HB2 SER 29 HB2 SER 29 11.607 -2.565 2.221
232 HB3 SER 29 HB3 SER 29 12.544 -3.992 2.659
233 HG SER 29 HG SER 29 9.874 -3.741 1.902
234 H LYS 30 H LYS 30 12.248 -0.792 4.064
235 HA LYS 30 HA LYS 30 14.934 -1.258 5.122
236 HB2 LYS 30 HB2 LYS 30 13.513 0.700 3.620
237 HB3 LYS 30 HB3 LYS 30 14.133 1.516 5.055
238 HG2 LYS 30 HG2 LYS 30 15.832 -0.244 3.264
239 HG3 LYS 30 HG3 LYS 30 15.730 1.509 3.099
240 HD2 LYS 30 HD2 LYS 30 16.236 1.274 5.775
241 HD3 LYS 30 HD3 LYS 30 17.124 -0.113 5.144
242 HE2 LYS 30 HE2 LYS 30 17.402 2.624 3.879
243 HE3 LYS 30 HE3 LYS 30 18.410 2.128 5.252
244 HZ1 LYS 30 HZ1 LYS 30 19.554 1.460 3.300
245 HZ2 LYS 30 HZ2 LYS 30 18.154 0.782 2.615
246 HZ3 LYS 30 HZ3 LYS 30 18.887 0.048 3.961
247 H GLN 31 H GLN 31 11.913 0.190 6.342
248 HA GLN 31 HA GLN 31 12.976 1.167 8.840
249 HB2 GLN 31 HB2 GLN 31 10.535 1.122 7.408
250 HB3 GLN 31 HB3 GLN 31 10.193 0.350 8.955
251 HG2 GLN 31 HG2 GLN 31 11.868 2.746 9.217
252 HG3 GLN 31 HG3 GLN 31 10.283 3.082 8.518
253 HE21 GLN 31 HE21 GLN 31 8.382 2.692 9.860
254 HE22 GLN 31 HE22 GLN 31 8.517 2.393 11.526
255 H ALA 32 H ALA 32 11.665 -1.965 7.812
256 HA ALA 32 HA ALA 32 11.524 -3.114 10.484
257 HB1 ALA 32 HB1 ALA 32 11.664 -4.430 7.753
258 HB2 ALA 32 HB2 ALA 32 10.187 -3.791 8.474
259 HB3 ALA 32 HB3 ALA 32 11.022 -5.147 9.232
260 H GLN 33 H GLN 33 14.205 -2.296 8.590
261 HA GLN 33 HA GLN 33 15.843 -4.650 9.326
262 HB2 GLN 33 HB2 GLN 33 16.041 -2.240 7.567
263 HB3 GLN 33 HB3 GLN 33 17.546 -2.981 8.108
264 HG2 GLN 33 HG2 GLN 33 16.706 -5.186 7.280
265 HG3 GLN 33 HG3 GLN 33 15.286 -4.364 6.634
266 HE21 GLN 33 HE21 GLN 33 18.881 -4.358 6.400
267 HE22 GLN 33 HE22 GLN 33 18.922 -3.792 4.801
268 H ASP 34 H ASP 34 14.883 -1.918 11.003
269 HA ASP 34 HA ASP 34 17.176 -2.126 12.847
270 HB2 ASP 34 HB2 ASP 34 17.391 0.482 12.639
271 HB3 ASP 34 HB3 ASP 34 18.165 -0.537 11.430
272 H ILE 35 H ILE 35 14.599 -2.839 13.454
273 HA ILE 35 HA ILE 35 13.703 -0.617 15.259
274 HB ILE 35 HB ILE 35 11.347 -1.678 14.766
275 HG12 ILE 35 HG12 ILE 35 11.230 -2.463 12.360
276 HG13 ILE 35 HG13 ILE 35 12.987 -2.587 12.374
277 HG21 ILE 35 HG21 ILE 35 11.826 0.583 14.158
278 HG22 ILE 35 HG22 ILE 35 11.175 -0.191 12.713
279 HG23 ILE 35 HG23 ILE 35 12.912 0.075 12.864
280 HD11 ILE 35 HD11 ILE 35 12.977 -4.340 13.939
281 HD12 ILE 35 HD12 ILE 35 11.578 -4.712 12.932
282 HD13 ILE 35 HD13 ILE 35 11.354 -3.951 14.506
283 H GLN 36 H GLN 36 15.406 -2.992 15.820
284 HA GLN 36 HA GLN 36 13.585 -4.470 17.696
285 HB2 GLN 36 HB2 GLN 36 15.004 -5.488 15.637
286 HB3 GLN 36 HB3 GLN 36 16.243 -5.560 16.889
287 HG2 GLN 36 HG2 GLN 36 15.225 -7.584 17.300
288 HG3 GLN 36 HG3 GLN 36 14.195 -6.563 18.303
289 HE21 GLN 36 HE21 GLN 36 14.122 -8.834 15.769
290 HE22 GLN 36 HE22 GLN 36 12.555 -8.513 15.200
291 HA PRO 37 HA PRO 37 16.440 -2.084 20.370
292 HB2 PRO 37 HB2 PRO 37 14.637 -1.722 22.395
293 HB3 PRO 37 HB3 PRO 37 14.719 -0.665 20.973
294 HG2 PRO 37 HG2 PRO 37 12.821 -2.865 21.589
295 HG3 PRO 37 HG3 PRO 37 12.536 -1.320 20.772
296 HD2 PRO 37 HD2 PRO 37 12.801 -3.724 19.478
297 HD3 PRO 37 HD3 PRO 37 13.134 -2.145 18.734
298 H ALA 38 H ALA 38 17.747 -3.937 20.845
299 HA ALA 38 HA ALA 38 16.781 -6.166 22.458
300 HB1 ALA 38 HB1 ALA 38 19.232 -6.740 22.421
301 HB2 ALA 38 HB2 ALA 38 19.537 -5.191 21.637
302 HB3 ALA 38 HB3 ALA 38 18.571 -6.418 20.818
303 H MET 39 H MET 39 18.963 -3.392 23.088
304 HA MET 39 HA MET 39 18.804 -3.951 26.018
305 HB2 MET 39 HB2 MET 39 20.605 -2.330 24.205
306 HB3 MET 39 HB3 MET 39 20.666 -2.156 25.959
307 HG2 MET 39 HG2 MET 39 21.584 -4.238 26.273
308 HG3 MET 39 HG3 MET 39 20.739 -4.934 24.891
309 HE1 MET 39 HE1 MET 39 22.573 -6.157 23.566
310 HE2 MET 39 HE2 MET 39 23.279 -6.009 25.172
311 HE3 MET 39 HE3 MET 39 24.266 -5.680 23.751
312 H GLN 40 H GLN 40 18.451 -1.239 23.694
313 HA GLN 40 HA GLN 40 16.509 0.029 25.592
314 HB2 GLN 40 HB2 GLN 40 19.092 0.989 24.503
315 HB3 GLN 40 HB3 GLN 40 17.772 2.157 24.420
316 HG2 GLN 40 HG2 GLN 40 17.474 2.180 26.748
317 HG3 GLN 40 HG3 GLN 40 18.286 0.629 26.964
318 HE21 GLN 40 HE21 GLN 40 18.771 4.066 26.906
319 HE22 GLN 40 HE22 GLN 40 20.461 4.040 27.052
Start of MODEL 37
1 HA ALA 1 HA ALA 1 -30.159 -2.092 3.346
2 HB1 ALA 1 HB1 ALA 1 -27.962 -3.424 4.967
3 HB2 ALA 1 HB2 ALA 1 -29.081 -2.197 5.561
4 HB3 ALA 1 HB3 ALA 1 -27.894 -1.783 4.324
5 H SER 2 H SER 2 -28.437 -1.624 1.716
6 HA SER 2 HA SER 2 -28.124 -3.829 -0.179
7 HB2 SER 2 HB2 SER 2 -26.692 -1.826 -1.245
8 HB3 SER 2 HB3 SER 2 -28.452 -1.814 -1.262
9 HG SER 2 HG SER 2 -28.049 0.073 -0.335
10 H ARG 3 H ARG 3 -26.292 -5.071 -0.498
11 HA ARG 3 HA ARG 3 -23.963 -4.575 1.314
12 HB2 ARG 3 HB2 ARG 3 -25.076 -6.985 -0.141
13 HB3 ARG 3 HB3 ARG 3 -23.511 -7.013 0.672
14 HG2 ARG 3 HG2 ARG 3 -24.731 -6.176 2.755
15 HG3 ARG 3 HG3 ARG 3 -26.232 -6.550 1.907
16 HD2 ARG 3 HD2 ARG 3 -24.752 -8.861 1.529
17 HD3 ARG 3 HD3 ARG 3 -24.315 -8.380 3.181
18 HE ARG 3 HE ARG 3 -26.778 -8.246 3.662
19 HH11 ARG 3 HH11 ARG 3 -27.918 -8.329 0.962
20 HH12 ARG 3 HH12 ARG 3 -28.350 -9.994 0.758
21 HH21 ARG 3 HH21 ARG 3 -26.349 -11.099 3.380
22 HH22 ARG 3 HH22 ARG 3 -27.456 -11.571 2.134
23 H ALA 4 H ALA 4 -24.690 -5.520 -2.075
24 HA ALA 4 HA ALA 4 -22.067 -5.534 -3.120
25 HB1 ALA 4 HB1 ALA 4 -23.286 -4.969 -5.274
26 HB2 ALA 4 HB2 ALA 4 -24.739 -4.730 -4.305
27 HB3 ALA 4 HB3 ALA 4 -23.976 -6.318 -4.372
28 H ALA 5 H ALA 5 -24.329 -2.762 -2.855
29 HA ALA 5 HA ALA 5 -22.668 -0.791 -4.085
30 HB1 ALA 5 HB1 ALA 5 -24.644 -0.454 -1.805
31 HB2 ALA 5 HB2 ALA 5 -25.117 -0.655 -3.493
32 HB3 ALA 5 HB3 ALA 5 -24.193 0.763 -2.999
33 H LEU 6 H LEU 6 -22.877 -1.884 -0.690
34 HA LEU 6 HA LEU 6 -21.098 0.050 0.447
35 HB2 LEU 6 HB2 LEU 6 -22.727 -1.707 1.491
36 HB3 LEU 6 HB3 LEU 6 -21.351 -2.806 1.381
37 HG LEU 6 HG LEU 6 -20.027 -0.874 2.540
38 HD11 LEU 6 HD11 LEU 6 -21.903 0.766 2.293
39 HD12 LEU 6 HD12 LEU 6 -21.386 0.560 3.967
40 HD13 LEU 6 HD13 LEU 6 -22.864 -0.218 3.397
41 HD21 LEU 6 HD21 LEU 6 -20.636 -1.775 4.738
42 HD22 LEU 6 HD22 LEU 6 -20.579 -3.081 3.555
43 HD23 LEU 6 HD23 LEU 6 -22.133 -2.431 4.075
44 H ILE 7 H ILE 7 -20.516 -3.057 -1.170
45 HA ILE 7 HA ILE 7 -17.643 -3.058 -0.556
46 HB ILE 7 HB ILE 7 -19.329 -4.687 -2.495
47 HG12 ILE 7 HG12 ILE 7 -18.364 -5.774 0.113
48 HG13 ILE 7 HG13 ILE 7 -19.710 -4.637 0.172
49 HG21 ILE 7 HG21 ILE 7 -17.164 -5.164 -3.166
50 HG22 ILE 7 HG22 ILE 7 -17.336 -6.334 -1.858
51 HG23 ILE 7 HG23 ILE 7 -16.482 -4.816 -1.576
52 HD11 ILE 7 HD11 ILE 7 -19.566 -7.284 -1.278
53 HD12 ILE 7 HD12 ILE 7 -20.786 -6.071 -1.670
54 HD13 ILE 7 HD13 ILE 7 -20.728 -6.771 -0.053
55 H GLU 8 H GLU 8 -19.739 -2.271 -3.324
56 HA GLU 8 HA GLU 8 -17.823 -1.916 -5.366
57 HB2 GLU 8 HB2 GLU 8 -20.493 -0.738 -4.658
58 HB3 GLU 8 HB3 GLU 8 -19.616 -0.096 -6.046
59 HG2 GLU 8 HG2 GLU 8 -19.925 -3.070 -5.755
60 HG3 GLU 8 HG3 GLU 8 -21.274 -2.117 -6.373
61 H GLU 9 H GLU 9 -19.014 0.567 -3.043
62 HA GLU 9 HA GLU 9 -17.365 2.702 -3.983
63 HB2 GLU 9 HB2 GLU 9 -17.918 3.717 -1.812
64 HB3 GLU 9 HB3 GLU 9 -19.334 2.911 -2.481
65 HG2 GLU 9 HG2 GLU 9 -18.935 0.963 -1.044
66 HG3 GLU 9 HG3 GLU 9 -17.470 1.710 -0.408
67 H GLY 10 H GLY 10 -16.720 0.105 -1.641
68 HA2 GLY 10 HA2 GLY 10 -14.127 1.186 -0.847
69 HA3 GLY 10 HA3 GLY 10 -14.755 -0.409 -0.432
70 H GLN 11 H GLN 11 -15.310 -1.215 -3.180
71 HA GLN 11 HA GLN 11 -12.892 -2.482 -3.917
72 HB2 GLN 11 HB2 GLN 11 -15.460 -2.641 -4.670
73 HB3 GLN 11 HB3 GLN 11 -14.866 -1.673 -6.017
74 HG2 GLN 11 HG2 GLN 11 -13.430 -4.183 -5.155
75 HG3 GLN 11 HG3 GLN 11 -14.799 -4.253 -6.262
76 HE21 GLN 11 HE21 GLN 11 -14.508 -2.315 -8.078
77 HE22 GLN 11 HE22 GLN 11 -12.977 -2.318 -8.811
78 H ARG 12 H ARG 12 -14.297 0.565 -5.185
79 HA ARG 12 HA ARG 12 -12.292 1.150 -7.129
80 HB2 ARG 12 HB2 ARG 12 -14.227 2.751 -5.455
81 HB3 ARG 12 HB3 ARG 12 -13.114 3.568 -6.553
82 HG2 ARG 12 HG2 ARG 12 -13.978 2.291 -8.447
83 HG3 ARG 12 HG3 ARG 12 -15.026 1.360 -7.376
84 HD2 ARG 12 HD2 ARG 12 -15.207 4.381 -7.520
85 HD3 ARG 12 HD3 ARG 12 -16.136 3.333 -8.610
86 HE ARG 12 HE ARG 12 -16.515 2.283 -6.024
87 HH11 ARG 12 HH11 ARG 12 -18.808 3.157 -7.682
88 HH12 ARG 12 HH12 ARG 12 -19.448 4.491 -6.782
89 HH21 ARG 12 HH21 ARG 12 -16.584 4.901 -4.856
90 HH22 ARG 12 HH22 ARG 12 -18.184 5.482 -5.173
91 H ILE 13 H ILE 13 -12.416 1.817 -3.633
92 HA ILE 13 HA ILE 13 -9.918 3.367 -3.655
93 HB ILE 13 HB ILE 13 -11.579 2.183 -1.399
94 HG12 ILE 13 HG12 ILE 13 -12.940 3.693 -2.744
95 HG13 ILE 13 HG13 ILE 13 -12.508 4.508 -1.244
96 HG21 ILE 13 HG21 ILE 13 -9.275 2.823 -0.743
97 HG22 ILE 13 HG22 ILE 13 -10.480 3.875 -0.001
98 HG23 ILE 13 HG23 ILE 13 -9.551 4.441 -1.389
99 HD11 ILE 13 HD11 ILE 13 -10.451 5.368 -2.668
100 HD12 ILE 13 HD12 ILE 13 -12.016 6.169 -2.794
101 HD13 ILE 13 HD13 ILE 13 -11.517 5.014 -4.028
102 H ALA 14 H ALA 14 -10.958 0.113 -2.601
103 HA ALA 14 HA ALA 14 -8.495 -0.772 -1.475
104 HB1 ALA 14 HB1 ALA 14 -10.719 -1.851 -1.253
105 HB2 ALA 14 HB2 ALA 14 -9.498 -3.000 -1.803
106 HB3 ALA 14 HB3 ALA 14 -10.650 -2.317 -2.952
107 H GLU 15 H GLU 15 -9.715 -1.099 -4.840
108 HA GLU 15 HA GLU 15 -7.556 -2.622 -5.897
109 HB2 GLU 15 HB2 GLU 15 -9.706 -2.207 -7.022
110 HB3 GLU 15 HB3 GLU 15 -9.314 -0.495 -7.168
111 HG2 GLU 15 HG2 GLU 15 -7.263 -2.338 -8.245
112 HG3 GLU 15 HG3 GLU 15 -8.798 -2.345 -9.112
113 H MET 16 H MET 16 -8.006 0.944 -5.955
114 HA MET 16 HA MET 16 -5.416 1.517 -7.084
115 HB2 MET 16 HB2 MET 16 -7.733 2.869 -6.635
116 HB3 MET 16 HB3 MET 16 -6.748 3.501 -5.316
117 HG2 MET 16 HG2 MET 16 -5.404 4.670 -6.723
118 HG3 MET 16 HG3 MET 16 -5.330 3.354 -7.893
119 HE1 MET 16 HE1 MET 16 -6.670 2.846 -9.594
120 HE2 MET 16 HE2 MET 16 -7.936 3.802 -10.360
121 HE3 MET 16 HE3 MET 16 -8.323 2.796 -8.967
122 H LEU 17 H LEU 17 -6.610 1.257 -3.739
123 HA LEU 17 HA LEU 17 -4.219 2.256 -2.460
124 HB2 LEU 17 HB2 LEU 17 -6.527 2.101 -1.486
125 HB3 LEU 17 HB3 LEU 17 -6.341 0.348 -1.432
126 HG LEU 17 HG LEU 17 -4.221 0.761 -0.056
127 HD11 LEU 17 HD11 LEU 17 -3.588 2.951 -0.096
128 HD12 LEU 17 HD12 LEU 17 -4.769 3.127 1.202
129 HD13 LEU 17 HD13 LEU 17 -5.220 3.516 -0.459
130 HD21 LEU 17 HD21 LEU 17 -6.507 0.062 0.827
131 HD22 LEU 17 HD22 LEU 17 -6.783 1.760 1.216
132 HD23 LEU 17 HD23 LEU 17 -5.467 0.881 1.994
133 H LYS 18 H LYS 18 -5.256 -0.963 -3.506
134 HA LYS 18 HA LYS 18 -3.442 -2.635 -2.163
135 HB2 LYS 18 HB2 LYS 18 -5.055 -2.641 -4.602
136 HB3 LYS 18 HB3 LYS 18 -3.595 -3.611 -4.781
137 HG2 LYS 18 HG2 LYS 18 -5.136 -3.921 -2.245
138 HG3 LYS 18 HG3 LYS 18 -5.834 -4.618 -3.706
139 HD2 LYS 18 HD2 LYS 18 -4.212 -6.216 -3.883
140 HD3 LYS 18 HD3 LYS 18 -2.942 -5.131 -3.315
141 HE2 LYS 18 HE2 LYS 18 -3.806 -5.361 -0.988
142 HE3 LYS 18 HE3 LYS 18 -5.018 -6.516 -1.578
143 HZ1 LYS 18 HZ1 LYS 18 -2.912 -7.562 -0.774
144 HZ2 LYS 18 HZ2 LYS 18 -2.100 -6.805 -2.061
145 HZ3 LYS 18 HZ3 LYS 18 -3.315 -7.952 -2.375
146 H SER 19 H SER 19 -2.897 -0.945 -5.287
147 HA SER 19 HA SER 19 -0.186 -1.784 -5.669
148 HB2 SER 19 HB2 SER 19 -1.851 -0.651 -7.270
149 HB3 SER 19 HB3 SER 19 -1.399 0.866 -6.498
150 HG SER 19 HG SER 19 0.756 0.447 -7.107
151 H LYS 20 H LYS 20 -1.585 1.006 -3.949
152 HA LYS 20 HA LYS 20 0.895 2.342 -3.353
153 HB2 LYS 20 HB2 LYS 20 -1.920 2.601 -2.862
154 HB3 LYS 20 HB3 LYS 20 -1.078 2.777 -1.323
155 HG2 LYS 20 HG2 LYS 20 -0.317 4.817 -1.896
156 HG3 LYS 20 HG3 LYS 20 0.334 4.202 -3.415
157 HD2 LYS 20 HD2 LYS 20 -1.769 4.493 -4.536
158 HD3 LYS 20 HD3 LYS 20 -2.605 4.814 -3.016
159 HE2 LYS 20 HE2 LYS 20 -1.365 6.907 -2.726
160 HE3 LYS 20 HE3 LYS 20 -0.418 6.575 -4.189
161 HZ1 LYS 20 HZ1 LYS 20 -2.567 6.408 -5.404
162 HZ2 LYS 20 HZ2 LYS 20 -2.242 7.965 -4.807
163 HZ3 LYS 20 HZ3 LYS 20 -3.361 6.963 -4.011
164 H ILE 21 H ILE 21 -1.048 -0.061 -1.546
165 HA ILE 21 HA ILE 21 0.609 -0.104 0.810
166 HB ILE 21 HB ILE 21 -1.233 -2.178 -0.427
167 HG12 ILE 21 HG12 ILE 21 -2.334 -0.015 0.067
168 HG13 ILE 21 HG13 ILE 21 -2.903 -1.277 1.154
169 HG21 ILE 21 HG21 ILE 21 0.160 -2.002 2.237
170 HG22 ILE 21 HG22 ILE 21 -0.017 -3.393 1.166
171 HG23 ILE 21 HG23 ILE 21 -1.396 -2.821 2.105
172 HD11 ILE 21 HD11 ILE 21 -1.007 0.995 1.739
173 HD12 ILE 21 HD12 ILE 21 -1.036 -0.447 2.755
174 HD13 ILE 21 HD13 ILE 21 -2.483 0.545 2.592
175 H GLN 22 H GLN 22 0.734 -1.842 -2.267
176 HA GLN 22 HA GLN 22 2.615 -3.875 -1.607
177 HB2 GLN 22 HB2 GLN 22 1.651 -2.427 -4.027
178 HB3 GLN 22 HB3 GLN 22 3.184 -3.279 -4.198
179 HG2 GLN 22 HG2 GLN 22 2.199 -5.324 -4.092
180 HG3 GLN 22 HG3 GLN 22 1.105 -4.831 -2.800
181 HE21 GLN 22 HE21 GLN 22 1.535 -3.718 -6.230
182 HE22 GLN 22 HE22 GLN 22 -0.107 -3.880 -6.628
183 H GLY 23 H GLY 23 3.172 -0.577 -2.908
184 HA2 GLY 23 HA2 GLY 23 6.055 -0.751 -2.748
185 HA3 GLY 23 HA3 GLY 23 5.124 0.735 -2.957
186 H LEU 24 H LEU 24 3.550 0.693 -0.638
187 HA LEU 24 HA LEU 24 5.254 1.825 1.338
188 HB2 LEU 24 HB2 LEU 24 2.468 1.178 0.935
189 HB3 LEU 24 HB3 LEU 24 2.930 0.763 2.584
190 HG LEU 24 HG LEU 24 4.162 3.192 2.278
191 HD11 LEU 24 HD11 LEU 24 2.450 4.692 1.271
192 HD12 LEU 24 HD12 LEU 24 1.533 3.272 0.766
193 HD13 LEU 24 HD13 LEU 24 3.134 3.576 0.089
194 HD21 LEU 24 HD21 LEU 24 1.289 2.813 3.172
195 HD22 LEU 24 HD22 LEU 24 2.424 4.040 3.736
196 HD23 LEU 24 HD23 LEU 24 2.685 2.343 4.143
197 H LEU 25 H LEU 25 3.866 -1.470 1.122
198 HA LEU 25 HA LEU 25 4.895 -2.506 3.574
199 HB2 LEU 25 HB2 LEU 25 3.170 -3.539 2.104
200 HB3 LEU 25 HB3 LEU 25 4.416 -3.875 0.903
201 HG LEU 25 HG LEU 25 5.134 -4.837 3.578
202 HD11 LEU 25 HD11 LEU 25 2.622 -5.121 3.585
203 HD12 LEU 25 HD12 LEU 25 3.525 -6.631 3.715
204 HD13 LEU 25 HD13 LEU 25 2.799 -6.167 2.176
205 HD21 LEU 25 HD21 LEU 25 6.427 -5.599 1.750
206 HD22 LEU 25 HD22 LEU 25 5.002 -5.912 0.759
207 HD23 LEU 25 HD23 LEU 25 5.382 -6.970 2.120
208 H GLN 26 H GLN 26 6.311 -2.482 0.282
209 HA GLN 26 HA GLN 26 8.740 -3.877 0.980
210 HB2 GLN 26 HB2 GLN 26 7.751 -2.117 -1.254
211 HB3 GLN 26 HB3 GLN 26 9.451 -2.583 -1.209
212 HG2 GLN 26 HG2 GLN 26 9.005 -4.761 -1.722
213 HG3 GLN 26 HG3 GLN 26 7.536 -4.792 -0.748
214 HE21 GLN 26 HE21 GLN 26 6.061 -5.591 -2.333
215 HE22 GLN 26 HE22 GLN 26 5.715 -4.772 -3.779
216 H GLN 27 H GLN 27 7.926 -0.403 0.706
217 HA GLN 27 HA GLN 27 10.536 0.613 1.337
218 HB2 GLN 27 HB2 GLN 27 7.751 1.562 1.090
219 HB3 GLN 27 HB3 GLN 27 8.744 2.521 2.187
220 HG2 GLN 27 HG2 GLN 27 9.017 3.494 0.012
221 HG3 GLN 27 HG3 GLN 27 10.499 2.600 0.344
222 HE21 GLN 27 HE21 GLN 27 10.748 0.454 -0.747
223 HE22 GLN 27 HE22 GLN 27 9.881 0.126 -2.167
224 H ALA 28 H ALA 28 7.752 -0.261 3.349
225 HA ALA 28 HA ALA 28 8.769 0.715 5.853
226 HB1 ALA 28 HB1 ALA 28 6.849 -1.525 5.145
227 HB2 ALA 28 HB2 ALA 28 6.420 0.157 5.458
228 HB3 ALA 28 HB3 ALA 28 7.039 -0.852 6.765
229 H SER 29 H SER 29 9.276 -2.278 4.063
230 HA SER 29 HA SER 29 10.388 -3.919 6.109
231 HB2 SER 29 HB2 SER 29 9.719 -4.409 3.657
232 HB3 SER 29 HB3 SER 29 11.319 -3.812 3.232
233 HG SER 29 HG SER 29 11.247 -6.096 3.575
234 H LYS 30 H LYS 30 12.031 -1.695 3.815
235 HA LYS 30 HA LYS 30 14.639 -2.044 5.096
236 HB2 LYS 30 HB2 LYS 30 13.454 -0.259 2.963
237 HB3 LYS 30 HB3 LYS 30 15.113 -0.039 3.518
238 HG2 LYS 30 HG2 LYS 30 15.122 -2.716 3.118
239 HG3 LYS 30 HG3 LYS 30 13.933 -2.239 1.906
240 HD2 LYS 30 HD2 LYS 30 15.550 -0.571 1.012
241 HD3 LYS 30 HD3 LYS 30 16.743 -1.130 2.186
242 HE2 LYS 30 HE2 LYS 30 17.305 -2.887 0.869
243 HE3 LYS 30 HE3 LYS 30 15.606 -3.376 0.714
244 HZ1 LYS 30 HZ1 LYS 30 16.962 -1.210 -0.810
245 HZ2 LYS 30 HZ2 LYS 30 15.301 -1.563 -0.897
246 HZ3 LYS 30 HZ3 LYS 30 16.443 -2.700 -1.432
247 H GLN 31 H GLN 31 11.962 0.278 5.335
248 HA GLN 31 HA GLN 31 13.415 2.301 6.815
249 HB2 GLN 31 HB2 GLN 31 10.504 1.564 6.433
250 HB3 GLN 31 HB3 GLN 31 10.991 2.940 7.422
251 HG2 GLN 31 HG2 GLN 31 12.077 2.649 4.632
252 HG3 GLN 31 HG3 GLN 31 10.465 3.319 4.882
253 HE21 GLN 31 HE21 GLN 31 13.923 3.874 5.525
254 HE22 GLN 31 HE22 GLN 31 13.747 5.502 5.968
255 H ALA 32 H ALA 32 11.745 -0.677 7.720
256 HA ALA 32 HA ALA 32 11.859 -0.044 10.610
257 HB1 ALA 32 HB1 ALA 32 10.717 -2.262 10.753
258 HB2 ALA 32 HB2 ALA 32 10.930 -2.453 9.013
259 HB3 ALA 32 HB3 ALA 32 9.906 -1.162 9.639
260 H GLN 33 H GLN 33 13.324 -2.393 8.329
261 HA GLN 33 HA GLN 33 15.144 -3.370 10.475
262 HB2 GLN 33 HB2 GLN 33 14.156 -4.263 7.804
263 HB3 GLN 33 HB3 GLN 33 15.761 -4.814 8.279
264 HG2 GLN 33 HG2 GLN 33 14.296 -6.486 9.105
265 HG3 GLN 33 HG3 GLN 33 14.674 -5.497 10.515
266 HE21 GLN 33 HE21 GLN 33 12.251 -5.368 7.813
267 HE22 GLN 33 HE22 GLN 33 10.940 -5.003 8.827
268 H ASP 34 H ASP 34 15.403 -2.139 7.120
269 HA ASP 34 HA ASP 34 17.008 -0.744 6.107
270 HB2 ASP 34 HB2 ASP 34 16.943 0.039 8.722
271 HB3 ASP 34 HB3 ASP 34 18.630 -0.451 8.567
272 H ILE 35 H ILE 35 18.523 -2.900 8.547
273 HA ILE 35 HA ILE 35 20.134 -4.151 6.391
274 HB ILE 35 HB ILE 35 21.420 -2.192 7.156
275 HG12 ILE 35 HG12 ILE 35 22.767 -4.547 8.457
276 HG13 ILE 35 HG13 ILE 35 22.457 -4.566 6.721
277 HG21 ILE 35 HG21 ILE 35 21.816 -3.317 9.883
278 HG22 ILE 35 HG22 ILE 35 20.269 -2.531 9.574
279 HG23 ILE 35 HG23 ILE 35 21.770 -1.635 9.352
280 HD11 ILE 35 HD11 ILE 35 24.718 -3.646 7.344
281 HD12 ILE 35 HD12 ILE 35 23.892 -2.311 8.148
282 HD13 ILE 35 HD13 ILE 35 23.726 -2.530 6.406
283 H GLN 36 H GLN 36 18.383 -5.750 7.249
284 HA GLN 36 HA GLN 36 19.539 -7.302 9.544
285 HB2 GLN 36 HB2 GLN 36 17.138 -5.910 9.459
286 HB3 GLN 36 HB3 GLN 36 16.650 -7.561 9.079
287 HG2 GLN 36 HG2 GLN 36 16.690 -7.918 11.313
288 HG3 GLN 36 HG3 GLN 36 18.445 -7.925 11.152
289 HE21 GLN 36 HE21 GLN 36 17.348 -7.051 13.586
290 HE22 GLN 36 HE22 GLN 36 17.559 -5.375 13.738
291 HA PRO 37 HA PRO 37 19.381 -10.541 6.501
292 HB2 PRO 37 HB2 PRO 37 20.237 -12.577 8.110
293 HB3 PRO 37 HB3 PRO 37 21.321 -11.325 7.477
294 HG2 PRO 37 HG2 PRO 37 20.228 -11.672 10.194
295 HG3 PRO 37 HG3 PRO 37 21.738 -10.919 9.669
296 HD2 PRO 37 HD2 PRO 37 19.386 -9.593 10.442
297 HD3 PRO 37 HD3 PRO 37 20.798 -8.869 9.643
298 H ALA 38 H ALA 38 16.886 -9.881 8.138
299 HA ALA 38 HA ALA 38 15.722 -12.629 8.407
300 HB1 ALA 38 HB1 ALA 38 14.106 -11.473 9.904
301 HB2 ALA 38 HB2 ALA 38 14.926 -9.945 9.584
302 HB3 ALA 38 HB3 ALA 38 15.771 -11.238 10.437
303 H MET 39 H MET 39 15.980 -10.722 5.926
304 HA MET 39 HA MET 39 13.118 -10.225 5.319
305 HB2 MET 39 HB2 MET 39 14.029 -9.016 3.398
306 HB3 MET 39 HB3 MET 39 14.911 -8.550 4.849
307 HG2 MET 39 HG2 MET 39 16.740 -10.071 4.267
308 HG3 MET 39 HG3 MET 39 15.845 -10.643 2.860
309 HE1 MET 39 HE1 MET 39 16.943 -7.798 4.822
310 HE2 MET 39 HE2 MET 39 17.191 -6.426 3.745
311 HE3 MET 39 HE3 MET 39 18.463 -7.632 3.932
312 H GLN 40 H GLN 40 15.696 -12.479 4.463
313 HA GLN 40 HA GLN 40 13.731 -14.008 2.810
314 HB2 GLN 40 HB2 GLN 40 15.652 -12.416 1.714
315 HB3 GLN 40 HB3 GLN 40 16.546 -13.929 1.873
316 HG2 GLN 40 HG2 GLN 40 14.426 -15.017 0.811
317 HG3 GLN 40 HG3 GLN 40 14.044 -13.376 0.291
318 HE21 GLN 40 HE21 GLN 40 16.773 -15.739 0.211
319 HE22 GLN 40 HE22 GLN 40 17.370 -15.217 -1.289