Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
574632 | 2lzp RC | 18768 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA ASP 1 HA ASP 1 -8.336 20.069 0.826
2 HB2 ASP 1 HB2 ASP 1 -10.940 18.740 0.045
3 HB3 ASP 1 HB3 ASP 1 -10.653 19.304 1.691
4 H THR 2 H THR 2 -6.525 18.484 1.116
5 HA THR 2 HA THR 2 -7.397 16.178 2.786
6 HB THR 2 HB THR 2 -5.639 14.818 1.429
7 HG1 THR 2 HG1 THR 2 -4.786 16.542 0.267
8 HG21 THR 2 HG21 THR 2 -7.322 14.032 -0.052
9 HG22 THR 2 HG22 THR 2 -8.116 15.605 -0.107
10 HG23 THR 2 HG23 THR 2 -8.194 14.629 1.359
11 H GLU 3 H GLU 3 -6.461 17.472 4.528
12 HA GLU 3 HA GLU 3 -3.596 18.169 4.401
13 HB2 GLU 3 HB2 GLU 3 -5.824 18.441 6.432
14 HB3 GLU 3 HB3 GLU 3 -4.166 18.923 6.791
15 HG2 GLU 3 HG2 GLU 3 -4.165 20.556 5.031
16 HG3 GLU 3 HG3 GLU 3 -5.689 19.948 4.384
17 H ILE 4 H ILE 4 -5.677 16.038 6.362
18 HA ILE 4 HA ILE 4 -3.241 14.520 7.228
19 HB ILE 4 HB ILE 4 -6.052 14.767 8.360
20 HG12 ILE 4 HG12 ILE 4 -3.465 15.607 9.671
21 HG13 ILE 4 HG13 ILE 4 -4.303 16.688 8.556
22 HG21 ILE 4 HG21 ILE 4 -5.106 13.495 10.298
23 HG22 ILE 4 HG22 ILE 4 -3.642 13.212 9.355
24 HG23 ILE 4 HG23 ILE 4 -5.179 12.534 8.821
25 HD11 ILE 4 HD11 ILE 4 -4.891 16.940 11.040
26 HD12 ILE 4 HD12 ILE 4 -5.713 15.386 10.892
27 HD13 ILE 4 HD13 ILE 4 -6.248 16.762 9.927
28 H ILE 5 H ILE 5 -6.569 14.108 5.980
29 HA ILE 5 HA ILE 5 -6.148 11.217 5.538
30 HB ILE 5 HB ILE 5 -8.429 13.159 5.041
31 HG12 ILE 5 HG12 ILE 5 -9.203 11.186 6.849
32 HG13 ILE 5 HG13 ILE 5 -7.529 11.519 7.295
33 HG21 ILE 5 HG21 ILE 5 -9.704 10.875 4.854
34 HG22 ILE 5 HG22 ILE 5 -8.120 10.234 4.417
35 HG23 ILE 5 HG23 ILE 5 -8.856 11.506 3.442
36 HD11 ILE 5 HD11 ILE 5 -9.493 13.758 6.808
37 HD12 ILE 5 HD12 ILE 5 -7.970 13.808 7.696
38 HD13 ILE 5 HD13 ILE 5 -9.365 12.979 8.384
39 H GLY 6 H GLY 6 -5.312 10.461 3.645
40 HA2 GLY 6 HA2 GLY 6 -5.266 12.280 1.275
41 HA3 GLY 6 HA3 GLY 6 -4.123 10.966 1.553
42 H GLY 7 H GLY 7 -5.245 8.717 1.717
43 HA2 GLY 7 HA2 GLY 7 -7.755 8.423 0.246
44 HA3 GLY 7 HA3 GLY 7 -6.339 7.923 -0.680
45 H LEU 8 H LEU 8 -8.062 7.343 2.377
46 HA LEU 8 HA LEU 8 -6.615 4.782 2.766
47 HB2 LEU 8 HB2 LEU 8 -7.713 4.820 4.941
48 HB3 LEU 8 HB3 LEU 8 -7.062 6.424 4.612
49 HG LEU 8 HG LEU 8 -9.669 6.398 3.505
50 HD11 LEU 8 HD11 LEU 8 -11.077 5.748 5.368
51 HD12 LEU 8 HD12 LEU 8 -9.667 5.388 6.364
52 HD13 LEU 8 HD13 LEU 8 -10.038 4.382 4.965
53 HD21 LEU 8 HD21 LEU 8 -8.581 7.585 6.078
54 HD22 LEU 8 HD22 LEU 8 -10.081 8.080 5.295
55 HD23 LEU 8 HD23 LEU 8 -8.536 8.340 4.485
56 H THR 9 H THR 9 -8.993 5.521 0.721
57 HA THR 9 HA THR 9 -10.891 3.354 1.451
58 HB THR 9 HB THR 9 -10.932 5.192 -0.957
59 HG1 THR 9 HG1 THR 9 -11.465 6.783 0.297
60 HG21 THR 9 HG21 THR 9 -12.532 3.294 -0.886
61 HG22 THR 9 HG22 THR 9 -13.351 4.854 -0.802
62 HG23 THR 9 HG23 THR 9 -13.141 3.890 0.659
63 H ILE 10 H ILE 10 -8.745 1.964 1.030
64 HA ILE 10 HA ILE 10 -8.751 1.146 -1.855
65 HB ILE 10 HB ILE 10 -6.696 2.164 -0.244
66 HG12 ILE 10 HG12 ILE 10 -5.997 0.489 -2.610
67 HG13 ILE 10 HG13 ILE 10 -7.125 1.821 -2.861
68 HG21 ILE 10 HG21 ILE 10 -5.088 0.390 0.037
69 HG22 ILE 10 HG22 ILE 10 -6.151 -0.771 -0.759
70 HG23 ILE 10 HG23 ILE 10 -6.581 -0.122 0.823
71 HD11 ILE 10 HD11 ILE 10 -4.329 1.993 -1.708
72 HD12 ILE 10 HD12 ILE 10 -5.472 3.336 -1.709
73 HD13 ILE 10 HD13 ILE 10 -4.894 2.669 -3.236
74 HA PRO 11 HA PRO 11 -9.890 -2.848 -0.422
75 HB2 PRO 11 HB2 PRO 11 -8.827 -4.432 -2.383
76 HB3 PRO 11 HB3 PRO 11 -10.244 -3.397 -2.634
77 HG2 PRO 11 HG2 PRO 11 -7.446 -3.010 -3.502
78 HG3 PRO 11 HG3 PRO 11 -8.952 -2.484 -4.265
79 HD2 PRO 11 HD2 PRO 11 -7.229 -0.878 -2.780
80 HD3 PRO 11 HD3 PRO 11 -8.908 -0.487 -3.198
81 HA PRO 12 HA PRO 12 -6.647 -4.761 1.850
82 HB2 PRO 12 HB2 PRO 12 -7.263 -7.431 1.702
83 HB3 PRO 12 HB3 PRO 12 -8.170 -6.275 2.698
84 HG2 PRO 12 HG2 PRO 12 -8.820 -7.357 -0.006
85 HG3 PRO 12 HG3 PRO 12 -9.885 -7.085 1.385
86 HD2 PRO 12 HD2 PRO 12 -9.789 -5.384 -0.707
87 HD3 PRO 12 HD3 PRO 12 -10.097 -4.830 0.954
88 H VAL 13 H VAL 13 -7.213 -6.007 -1.417
89 HA VAL 13 HA VAL 13 -4.767 -7.519 -1.661
90 HB VAL 13 HB VAL 13 -6.812 -7.709 -3.100
91 HG11 VAL 13 HG11 VAL 13 -5.825 -5.207 -4.485
92 HG12 VAL 13 HG12 VAL 13 -7.093 -5.165 -3.261
93 HG13 VAL 13 HG13 VAL 13 -7.338 -6.073 -4.752
94 HG21 VAL 13 HG21 VAL 13 -5.592 -7.995 -5.218
95 HG22 VAL 13 HG22 VAL 13 -4.625 -8.580 -3.864
96 HG23 VAL 13 HG23 VAL 13 -4.265 -7.015 -4.596
97 H VAL 14 H VAL 14 -5.592 -4.106 -2.280
98 HA VAL 14 HA VAL 14 -3.033 -3.416 -3.480
99 HB VAL 14 HB VAL 14 -5.330 -1.878 -2.227
100 HG11 VAL 14 HG11 VAL 14 -2.736 -0.882 -3.407
101 HG12 VAL 14 HG12 VAL 14 -3.511 -0.399 -1.898
102 HG13 VAL 14 HG13 VAL 14 -4.196 0.106 -3.443
103 HG21 VAL 14 HG21 VAL 14 -4.404 -1.889 -5.102
104 HG22 VAL 14 HG22 VAL 14 -5.982 -1.432 -4.463
105 HG23 VAL 14 HG23 VAL 14 -5.498 -3.128 -4.488
106 H ALA 15 H ALA 15 -4.454 -2.952 -0.218
107 HA ALA 15 HA ALA 15 -2.194 -1.718 1.015
108 HB1 ALA 15 HB1 ALA 15 -3.367 -2.218 3.042
109 HB2 ALA 15 HB2 ALA 15 -4.141 -3.632 2.326
110 HB3 ALA 15 HB3 ALA 15 -4.619 -2.013 1.817
111 H LEU 16 H LEU 16 -3.026 -5.145 0.518
112 HA LEU 16 HA LEU 16 -0.947 -6.304 2.128
113 HB2 LEU 16 HB2 LEU 16 -2.986 -7.436 1.221
114 HB3 LEU 16 HB3 LEU 16 -2.291 -7.331 -0.397
115 HG LEU 16 HG LEU 16 -0.411 -8.487 1.515
116 HD11 LEU 16 HD11 LEU 16 -1.585 -10.580 1.909
117 HD12 LEU 16 HD12 LEU 16 -2.981 -10.012 0.993
118 HD13 LEU 16 HD13 LEU 16 -2.570 -9.257 2.533
119 HD21 LEU 16 HD21 LEU 16 -0.329 -10.240 -0.254
120 HD22 LEU 16 HD22 LEU 16 -0.158 -8.617 -0.921
121 HD23 LEU 16 HD23 LEU 16 -1.697 -9.467 -1.056
122 H VAL 17 H VAL 17 -1.057 -5.358 -1.321
123 HA VAL 17 HA VAL 17 1.565 -6.342 -2.014
124 HB VAL 17 HB VAL 17 -0.319 -4.253 -3.148
125 HG11 VAL 17 HG11 VAL 17 1.683 -3.487 -4.065
126 HG12 VAL 17 HG12 VAL 17 1.208 -4.698 -5.255
127 HG13 VAL 17 HG13 VAL 17 2.425 -5.087 -4.040
128 HG21 VAL 17 HG21 VAL 17 -0.897 -5.951 -4.721
129 HG22 VAL 17 HG22 VAL 17 -0.859 -6.763 -3.158
130 HG23 VAL 17 HG23 VAL 17 0.492 -6.941 -4.277
131 H VAL 18 H VAL 18 0.421 -3.323 -0.562
132 HA VAL 18 HA VAL 18 2.914 -1.855 -0.930
133 HB VAL 18 HB VAL 18 0.488 -1.507 0.870
134 HG11 VAL 18 HG11 VAL 18 1.271 0.803 1.194
135 HG12 VAL 18 HG12 VAL 18 2.714 0.460 0.239
136 HG13 VAL 18 HG13 VAL 18 2.473 -0.340 1.793
137 HG21 VAL 18 HG21 VAL 18 1.126 0.287 -1.430
138 HG22 VAL 18 HG22 VAL 18 -0.441 -0.254 -0.827
139 HG23 VAL 18 HG23 VAL 18 0.543 -1.333 -1.816
140 H MET 19 H MET 19 1.444 -3.724 1.740
141 HA MET 19 HA MET 19 3.437 -3.173 3.729
142 HB2 MET 19 HB2 MET 19 1.051 -4.281 3.789
143 HB3 MET 19 HB3 MET 19 1.941 -5.779 3.512
144 HG2 MET 19 HG2 MET 19 2.065 -5.775 5.800
145 HG3 MET 19 HG3 MET 19 3.451 -4.729 5.491
146 HE1 MET 19 HE1 MET 19 2.134 -4.903 8.104
147 HE2 MET 19 HE2 MET 19 1.658 -3.299 8.654
148 HE3 MET 19 HE3 MET 19 3.257 -3.544 7.955
149 H SER 20 H SER 20 3.118 -5.895 1.410
150 HA SER 20 HA SER 20 5.456 -7.333 2.227
151 HB2 SER 20 HB2 SER 20 5.218 -8.272 -0.138
152 HB3 SER 20 HB3 SER 20 3.776 -8.374 0.868
153 HG SER 20 HG SER 20 2.801 -7.030 -0.433
154 H ARG 21 H ARG 21 5.007 -4.726 -0.173
155 HA ARG 21 HA ARG 21 7.634 -4.762 -1.310
156 HB2 ARG 21 HB2 ARG 21 5.577 -3.585 -2.152
157 HB3 ARG 21 HB3 ARG 21 5.757 -2.418 -0.842
158 HG2 ARG 21 HG2 ARG 21 7.892 -1.679 -1.697
159 HG3 ARG 21 HG3 ARG 21 7.923 -2.980 -2.887
160 HD2 ARG 21 HD2 ARG 21 7.220 -0.972 -4.049
161 HD3 ARG 21 HD3 ARG 21 5.775 -1.982 -3.855
162 HE ARG 21 HE ARG 21 4.949 -0.432 -2.249
163 HH11 ARG 21 HH11 ARG 21 6.714 1.463 -3.985
164 HH12 ARG 21 HH12 ARG 21 7.480 2.388 -2.738
165 HH21 ARG 21 HH21 ARG 21 6.594 0.183 -0.198
166 HH22 ARG 21 HH22 ARG 21 7.411 1.661 -0.586
167 H PHE 22 H PHE 22 6.301 -3.007 1.505
168 HA PHE 22 HA PHE 22 8.615 -1.454 2.146
169 HB2 PHE 22 HB2 PHE 22 6.478 -0.953 3.118
170 HB3 PHE 22 HB3 PHE 22 6.299 -2.595 3.735
171 HD1 PHE 22 HD1 PHE 22 8.487 0.434 4.019
172 HD2 PHE 22 HD2 PHE 22 6.995 -3.118 5.918
173 HE1 PHE 22 HE2 PHE 22 9.581 1.108 6.139
174 HE2 PHE 22 HE1 PHE 22 8.089 -2.444 8.037
175 HZ PHE 22 HZ PHE 22 9.383 -0.333 8.148
176 H GLY 23 H GLY 23 7.558 -4.659 3.378
177 HA2 GLY 23 HA2 GLY 23 9.850 -5.088 5.052
178 HA3 GLY 23 HA3 GLY 23 8.766 -6.351 4.468
179 H PHE 24 H PHE 24 9.238 -5.690 1.623
180 HA PHE 24 HA PHE 24 11.387 -7.454 1.030
181 HB2 PHE 24 HB2 PHE 24 9.363 -6.220 -0.325
182 HB3 PHE 24 HB3 PHE 24 10.748 -5.305 -0.917
183 HD1 PHE 24 HD1 PHE 24 12.663 -6.494 -2.005
184 HD2 PHE 24 HD2 PHE 24 9.018 -8.509 -0.952
185 HE1 PHE 24 HE1 PHE 24 13.272 -8.375 -3.501
186 HE2 PHE 24 HE2 PHE 24 9.626 -10.390 -2.450
187 HZ PHE 24 HZ PHE 24 11.753 -10.324 -3.724
188 H PHE 25 H PHE 25 11.338 -3.875 0.661
189 HA PHE 25 HA PHE 25 14.133 -3.591 0.112
190 HB2 PHE 25 HB2 PHE 25 12.046 -1.983 -0.074
191 HB3 PHE 25 HB3 PHE 25 12.523 -1.502 1.555
192 HD1 PHE 25 HD1 PHE 25 14.740 -0.483 1.974
193 HD2 PHE 25 HD2 PHE 25 13.414 -1.442 -1.999
194 HE1 PHE 25 HE1 PHE 25 16.534 0.945 1.030
195 HE2 PHE 25 HE2 PHE 25 15.208 -0.014 -2.942
196 HZ PHE 25 HZ PHE 25 16.768 1.180 -1.428
197 H ALA 26 H ALA 26 12.331 -3.672 3.182
198 HA ALA 26 HA ALA 26 14.442 -2.786 4.910
199 HB1 ALA 26 HB1 ALA 26 13.042 -3.859 6.643
200 HB2 ALA 26 HB2 ALA 26 12.154 -4.727 5.391
201 HB3 ALA 26 HB3 ALA 26 12.037 -2.971 5.498
202 H HIS 27 H HIS 27 13.528 -6.039 3.742
203 HA HIS 27 HA HIS 27 15.683 -7.361 5.240
204 HB2 HIS 27 HB2 HIS 27 13.268 -8.139 4.373
205 HB3 HIS 27 HB3 HIS 27 14.211 -8.642 2.971
206 HD1 HIS 27 HD1 HIS 27 14.873 -11.032 3.189
207 HD2 HIS 27 HD2 HIS 27 14.891 -9.105 6.886
208 HE1 HIS 27 HE1 HIS 27 15.629 -12.750 4.889
209 H LEU 28 H LEU 28 15.032 -6.511 1.821
210 HA LEU 28 HA LEU 28 17.426 -7.703 0.740
211 HB2 LEU 28 HB2 LEU 28 15.265 -5.846 -0.093
212 HB3 LEU 28 HB3 LEU 28 16.773 -5.689 -0.988
213 HG LEU 28 HG LEU 28 15.248 -7.316 -2.061
214 HD11 LEU 28 HD11 LEU 28 17.880 -7.553 -1.825
215 HD12 LEU 28 HD12 LEU 28 16.923 -8.831 -2.574
216 HD13 LEU 28 HD13 LEU 28 17.444 -8.988 -0.896
217 HD21 LEU 28 HD21 LEU 28 15.671 -9.183 0.257
218 HD22 LEU 28 HD22 LEU 28 14.409 -9.205 -0.974
219 HD23 LEU 28 HD23 LEU 28 14.356 -8.010 0.321
220 H LEU 29 H LEU 29 16.645 -4.348 1.708
221 HA LEU 29 HA LEU 29 18.027 -2.543 2.309
222 HB2 LEU 29 HB2 LEU 29 19.636 -5.012 2.869
223 HB3 LEU 29 HB3 LEU 29 20.444 -3.451 2.981
224 HG LEU 29 HG LEU 29 17.793 -3.547 4.276
225 HD11 LEU 29 HD11 LEU 29 18.508 -5.785 4.874
226 HD12 LEU 29 HD12 LEU 29 18.730 -4.743 6.280
227 HD13 LEU 29 HD13 LEU 29 20.120 -5.203 5.296
228 HD21 LEU 29 HD21 LEU 29 19.187 -1.605 4.547
229 HD22 LEU 29 HD22 LEU 29 20.576 -2.591 5.006
230 HD23 LEU 29 HD23 LEU 29 19.195 -2.451 6.094
231 HA PRO 30 HA PRO 30 20.345 -1.368 -1.237
232 HB2 PRO 30 HB2 PRO 30 22.314 0.246 -0.224
233 HB3 PRO 30 HB3 PRO 30 20.609 0.733 -0.300
234 HG2 PRO 30 HG2 PRO 30 22.193 -0.257 2.011
235 HG3 PRO 30 HG3 PRO 30 20.926 0.977 1.955
236 HD2 PRO 30 HD2 PRO 30 20.536 -1.585 2.844
237 HD3 PRO 30 HD3 PRO 30 19.250 -0.553 2.184
238 H ARG 31 H ARG 31 21.085 -3.740 -1.332
239 HA ARG 31 HA ARG 31 24.070 -3.875 -1.115
240 HB2 ARG 31 HB2 ARG 31 23.006 -4.996 0.804
241 HB3 ARG 31 HB3 ARG 31 22.010 -5.953 -0.293
242 HG2 ARG 31 HG2 ARG 31 24.915 -6.078 -0.831
243 HG3 ARG 31 HG3 ARG 31 24.415 -6.784 0.706
244 HD2 ARG 31 HD2 ARG 31 22.719 -8.161 -0.489
245 HD3 ARG 31 HD3 ARG 31 23.288 -7.489 -2.030
246 HE ARG 31 HE ARG 31 25.517 -8.484 -1.532
247 HH11 ARG 31 HH11 ARG 31 24.563 -8.891 1.440
248 HH12 ARG 31 HH12 ARG 31 24.506 -10.622 1.488
249 HH21 ARG 31 HH21 ARG 31 24.678 -10.975 -1.969
250 HH22 ARG 31 HH22 ARG 31 24.572 -11.808 -0.454
Start of MODEL 2
1 HA ASP 1 HA ASP 1 -17.336 -1.287 9.040
2 HB2 ASP 1 HB2 ASP 1 -18.578 -2.227 10.964
3 HB3 ASP 1 HB3 ASP 1 -18.195 -3.484 9.789
4 H THR 2 H THR 2 -14.348 -1.088 10.056
5 HA THR 2 HA THR 2 -14.947 0.680 12.409
6 HB THR 2 HB THR 2 -12.278 -0.606 11.846
7 HG1 THR 2 HG1 THR 2 -14.518 -1.795 13.128
8 HG21 THR 2 HG21 THR 2 -13.624 -0.128 14.498
9 HG22 THR 2 HG22 THR 2 -12.773 1.170 13.661
10 HG23 THR 2 HG23 THR 2 -11.902 -0.283 14.149
11 H GLU 3 H GLU 3 -14.137 2.776 12.310
12 HA GLU 3 HA GLU 3 -13.287 4.742 11.326
13 HB2 GLU 3 HB2 GLU 3 -11.309 2.548 10.854
14 HB3 GLU 3 HB3 GLU 3 -11.038 4.078 10.019
15 HG2 GLU 3 HG2 GLU 3 -11.046 5.296 12.110
16 HG3 GLU 3 HG3 GLU 3 -11.532 3.854 13.000
17 H ILE 4 H ILE 4 -15.291 4.616 9.888
18 HA ILE 4 HA ILE 4 -14.450 4.655 7.041
19 HB ILE 4 HB ILE 4 -15.290 2.347 7.790
20 HG12 ILE 4 HG12 ILE 4 -17.229 3.058 5.734
21 HG13 ILE 4 HG13 ILE 4 -15.657 3.792 5.418
22 HG21 ILE 4 HG21 ILE 4 -17.997 3.697 7.700
23 HG22 ILE 4 HG22 ILE 4 -17.147 3.369 9.210
24 HG23 ILE 4 HG23 ILE 4 -17.631 2.035 8.163
25 HD11 ILE 4 HD11 ILE 4 -15.802 0.904 6.231
26 HD12 ILE 4 HD12 ILE 4 -14.572 1.730 5.275
27 HD13 ILE 4 HD13 ILE 4 -16.139 1.356 4.560
28 H ILE 5 H ILE 5 -15.964 5.891 5.709
29 HA ILE 5 HA ILE 5 -17.488 7.893 7.280
30 HB ILE 5 HB ILE 5 -16.735 7.689 4.343
31 HG12 ILE 5 HG12 ILE 5 -15.553 9.770 6.081
32 HG13 ILE 5 HG13 ILE 5 -15.061 8.122 6.469
33 HG21 ILE 5 HG21 ILE 5 -17.888 9.995 5.947
34 HG22 ILE 5 HG22 ILE 5 -18.723 9.099 4.677
35 HG23 ILE 5 HG23 ILE 5 -17.326 10.099 4.279
36 HD11 ILE 5 HD11 ILE 5 -14.944 9.333 3.692
37 HD12 ILE 5 HD12 ILE 5 -14.340 7.747 4.174
38 HD13 ILE 5 HD13 ILE 5 -13.566 9.210 4.784
39 H GLY 6 H GLY 6 -18.386 6.851 4.029
40 HA2 GLY 6 HA2 GLY 6 -21.065 6.067 5.103
41 HA3 GLY 6 HA3 GLY 6 -20.809 6.761 3.501
42 H GLY 7 H GLY 7 -19.027 5.395 2.228
43 HA2 GLY 7 HA2 GLY 7 -19.718 2.500 2.563
44 HA3 GLY 7 HA3 GLY 7 -19.593 3.264 0.976
45 H LEU 8 H LEU 8 -17.411 4.323 0.526
46 HA LEU 8 HA LEU 8 -15.082 4.133 0.278
47 HB2 LEU 8 HB2 LEU 8 -15.466 4.626 2.813
48 HB3 LEU 8 HB3 LEU 8 -15.061 2.925 3.046
49 HG LEU 8 HG LEU 8 -13.078 3.786 1.320
50 HD11 LEU 8 HD11 LEU 8 -13.835 6.133 1.661
51 HD12 LEU 8 HD12 LEU 8 -12.202 5.865 2.272
52 HD13 LEU 8 HD13 LEU 8 -13.561 5.948 3.394
53 HD21 LEU 8 HD21 LEU 8 -11.651 3.750 3.404
54 HD22 LEU 8 HD22 LEU 8 -12.690 2.336 3.218
55 HD23 LEU 8 HD23 LEU 8 -13.136 3.616 4.348
56 H THR 9 H THR 9 -15.746 2.332 -1.273
57 HA THR 9 HA THR 9 -15.421 -0.439 -0.344
58 HB THR 9 HB THR 9 -15.666 -0.819 -2.873
59 HG1 THR 9 HG1 THR 9 -15.878 0.881 -4.131
60 HG21 THR 9 HG21 THR 9 -18.048 -0.252 -2.849
61 HG22 THR 9 HG22 THR 9 -17.791 0.842 -1.489
62 HG23 THR 9 HG23 THR 9 -17.565 -0.895 -1.280
63 H ILE 10 H ILE 10 -13.107 0.643 0.412
64 HA ILE 10 HA ILE 10 -11.048 0.675 -1.656
65 HB ILE 10 HB ILE 10 -11.016 2.010 0.453
66 HG12 ILE 10 HG12 ILE 10 -8.611 1.220 1.138
67 HG13 ILE 10 HG13 ILE 10 -8.785 0.103 -0.215
68 HG21 ILE 10 HG21 ILE 10 -11.969 0.132 1.874
69 HG22 ILE 10 HG22 ILE 10 -10.593 0.976 2.583
70 HG23 ILE 10 HG23 ILE 10 -10.367 -0.605 1.837
71 HD11 ILE 10 HD11 ILE 10 -9.454 2.138 -1.618
72 HD12 ILE 10 HD12 ILE 10 -7.762 2.054 -1.129
73 HD13 ILE 10 HD13 ILE 10 -8.874 3.125 -0.277
74 HA PRO 11 HA PRO 11 -10.424 -3.721 -1.579
75 HB2 PRO 11 HB2 PRO 11 -8.304 -3.794 -3.300
76 HB3 PRO 11 HB3 PRO 11 -9.973 -3.527 -3.836
77 HG2 PRO 11 HG2 PRO 11 -7.748 -1.607 -3.571
78 HG3 PRO 11 HG3 PRO 11 -9.133 -1.591 -4.668
79 HD2 PRO 11 HD2 PRO 11 -8.841 -0.066 -2.333
80 HD3 PRO 11 HD3 PRO 11 -10.336 -0.293 -3.263
81 HA PRO 12 HA PRO 12 -7.186 -3.870 1.499
82 HB2 PRO 12 HB2 PRO 12 -7.368 -6.546 2.040
83 HB3 PRO 12 HB3 PRO 12 -8.528 -5.352 2.655
84 HG2 PRO 12 HG2 PRO 12 -8.785 -7.243 0.377
85 HG3 PRO 12 HG3 PRO 12 -10.001 -6.708 1.547
86 HD2 PRO 12 HD2 PRO 12 -9.807 -5.753 -1.016
87 HD3 PRO 12 HD3 PRO 12 -10.538 -4.855 0.333
88 H VAL 13 H VAL 13 -7.287 -5.775 -1.447
89 HA VAL 13 HA VAL 13 -4.794 -7.161 -1.264
90 HB VAL 13 HB VAL 13 -6.350 -6.044 -3.622
91 HG11 VAL 13 HG11 VAL 13 -3.951 -7.850 -3.440
92 HG12 VAL 13 HG12 VAL 13 -4.267 -6.533 -4.569
93 HG13 VAL 13 HG13 VAL 13 -5.115 -8.068 -4.748
94 HG21 VAL 13 HG21 VAL 13 -6.768 -8.714 -3.645
95 HG22 VAL 13 HG22 VAL 13 -7.809 -7.598 -2.760
96 HG23 VAL 13 HG23 VAL 13 -6.536 -8.476 -1.912
97 H VAL 14 H VAL 14 -5.531 -3.927 -2.670
98 HA VAL 14 HA VAL 14 -2.893 -3.326 -3.563
99 HB VAL 14 HB VAL 14 -5.077 -2.135 -4.066
100 HG11 VAL 14 HG11 VAL 14 -5.570 -1.953 -1.507
101 HG12 VAL 14 HG12 VAL 14 -6.019 -0.610 -2.557
102 HG13 VAL 14 HG13 VAL 14 -4.550 -0.516 -1.584
103 HG21 VAL 14 HG21 VAL 14 -4.005 0.128 -4.155
104 HG22 VAL 14 HG22 VAL 14 -2.961 -1.157 -4.762
105 HG23 VAL 14 HG23 VAL 14 -2.696 -0.495 -3.149
106 H ALA 15 H ALA 15 -4.381 -2.965 -0.352
107 HA ALA 15 HA ALA 15 -2.147 -1.499 0.814
108 HB1 ALA 15 HB1 ALA 15 -4.595 -2.966 1.802
109 HB2 ALA 15 HB2 ALA 15 -4.252 -1.236 1.861
110 HB3 ALA 15 HB3 ALA 15 -3.405 -2.341 2.945
111 H LEU 16 H LEU 16 -3.131 -4.908 0.599
112 HA LEU 16 HA LEU 16 -1.131 -5.982 2.377
113 HB2 LEU 16 HB2 LEU 16 -3.333 -6.859 0.883
114 HB3 LEU 16 HB3 LEU 16 -1.967 -7.712 0.169
115 HG LEU 16 HG LEU 16 -2.882 -9.045 1.995
116 HD11 LEU 16 HD11 LEU 16 -0.871 -9.422 3.235
117 HD12 LEU 16 HD12 LEU 16 -0.337 -7.757 3.006
118 HD13 LEU 16 HD13 LEU 16 -0.364 -8.870 1.639
119 HD21 LEU 16 HD21 LEU 16 -2.202 -6.783 3.883
120 HD22 LEU 16 HD22 LEU 16 -3.159 -8.228 4.211
121 HD23 LEU 16 HD23 LEU 16 -3.810 -6.955 3.178
122 H VAL 17 H VAL 17 -1.204 -5.389 -1.143
123 HA VAL 17 HA VAL 17 1.278 -6.639 -1.824
124 HB VAL 17 HB VAL 17 -0.330 -4.330 -2.962
125 HG11 VAL 17 HG11 VAL 17 1.059 -4.776 -5.063
126 HG12 VAL 17 HG12 VAL 17 2.186 -5.641 -4.019
127 HG13 VAL 17 HG13 VAL 17 1.887 -3.922 -3.761
128 HG21 VAL 17 HG21 VAL 17 -1.429 -5.923 -4.167
129 HG22 VAL 17 HG22 VAL 17 -0.831 -7.027 -2.928
130 HG23 VAL 17 HG23 VAL 17 0.040 -6.856 -4.452
131 H VAL 18 H VAL 18 0.536 -3.241 -0.940
132 HA VAL 18 HA VAL 18 3.174 -2.183 -1.109
133 HB VAL 18 HB VAL 18 0.752 -1.539 0.604
134 HG11 VAL 18 HG11 VAL 18 2.457 -0.522 1.857
135 HG12 VAL 18 HG12 VAL 18 1.991 0.763 0.741
136 HG13 VAL 18 HG13 VAL 18 3.440 -0.193 0.430
137 HG21 VAL 18 HG21 VAL 18 1.946 -0.115 -1.794
138 HG22 VAL 18 HG22 VAL 18 0.400 0.230 -1.018
139 HG23 VAL 18 HG23 VAL 18 0.627 -1.280 -1.900
140 H MET 19 H MET 19 1.520 -3.890 1.554
141 HA MET 19 HA MET 19 3.533 -3.519 3.565
142 HB2 MET 19 HB2 MET 19 1.062 -4.927 3.151
143 HB3 MET 19 HB3 MET 19 2.230 -6.044 3.857
144 HG2 MET 19 HG2 MET 19 2.715 -4.399 5.641
145 HG3 MET 19 HG3 MET 19 1.518 -3.305 4.947
146 HE1 MET 19 HE1 MET 19 -1.220 -3.508 6.020
147 HE2 MET 19 HE2 MET 19 -1.739 -4.935 5.126
148 HE3 MET 19 HE3 MET 19 -0.616 -3.800 4.382
149 H SER 20 H SER 20 3.071 -6.076 1.101
150 HA SER 20 HA SER 20 5.197 -7.805 1.924
151 HB2 SER 20 HB2 SER 20 3.234 -7.942 0.122
152 HB3 SER 20 HB3 SER 20 4.507 -7.399 -0.967
153 HG SER 20 HG SER 20 4.113 -9.829 0.182
154 H ARG 21 H ARG 21 5.154 -5.100 -0.426
155 HA ARG 21 HA ARG 21 7.899 -5.272 -1.234
156 HB2 ARG 21 HB2 ARG 21 5.680 -3.269 -1.261
157 HB3 ARG 21 HB3 ARG 21 7.309 -2.660 -1.551
158 HG2 ARG 21 HG2 ARG 21 6.707 -3.218 -3.716
159 HG3 ARG 21 HG3 ARG 21 7.426 -4.744 -3.200
160 HD2 ARG 21 HD2 ARG 21 5.393 -5.828 -3.122
161 HD3 ARG 21 HD3 ARG 21 4.526 -4.370 -2.607
162 HE ARG 21 HE ARG 21 4.459 -3.628 -4.904
163 HH11 ARG 21 HH11 ARG 21 3.621 -6.474 -5.311
164 HH12 ARG 21 HH12 ARG 21 4.675 -6.989 -6.584
165 HH21 ARG 21 HH21 ARG 21 6.900 -4.351 -6.165
166 HH22 ARG 21 HH22 ARG 21 6.538 -5.782 -7.071
167 H PHE 22 H PHE 22 6.304 -3.548 1.447
168 HA PHE 22 HA PHE 22 8.539 -2.029 2.374
169 HB2 PHE 22 HB2 PHE 22 5.995 -2.044 2.987
170 HB3 PHE 22 HB3 PHE 22 6.451 -3.276 4.164
171 HD1 PHE 22 HD1 PHE 22 8.092 -2.747 5.965
172 HD2 PHE 22 HD2 PHE 22 6.601 0.266 3.291
173 HE1 PHE 22 HE2 PHE 22 8.896 -0.979 7.507
174 HE2 PHE 22 HE1 PHE 22 7.404 2.034 4.834
175 HZ PHE 22 HZ PHE 22 8.551 1.411 6.942
176 H GLY 23 H GLY 23 7.455 -5.344 3.185
177 HA2 GLY 23 HA2 GLY 23 9.444 -5.866 5.182
178 HA3 GLY 23 HA3 GLY 23 8.572 -7.100 4.271
179 H PHE 24 H PHE 24 9.406 -6.315 1.652
180 HA PHE 24 HA PHE 24 11.976 -7.642 1.478
181 HB2 PHE 24 HB2 PHE 24 9.866 -7.196 -0.173
182 HB3 PHE 24 HB3 PHE 24 10.967 -5.950 -0.755
183 HD1 PHE 24 HD1 PHE 24 13.213 -6.554 -1.622
184 HD2 PHE 24 HD2 PHE 24 10.340 -9.546 -0.502
185 HE1 PHE 24 HE2 PHE 24 14.519 -8.265 -2.850
186 HE2 PHE 24 HE1 PHE 24 11.647 -11.258 -1.732
187 HZ PHE 24 HZ PHE 24 13.736 -10.618 -2.905
188 H PHE 25 H PHE 25 10.915 -4.255 1.060
189 HA PHE 25 HA PHE 25 13.431 -3.101 0.382
190 HB2 PHE 25 HB2 PHE 25 10.975 -2.192 0.439
191 HB3 PHE 25 HB3 PHE 25 11.366 -1.730 2.095
192 HD1 PHE 25 HD1 PHE 25 12.354 -1.301 -1.462
193 HD2 PHE 25 HD2 PHE 25 12.814 0.115 2.567
194 HE1 PHE 25 HE1 PHE 25 13.552 0.700 -2.303
195 HE2 PHE 25 HE2 PHE 25 14.012 2.117 1.726
196 HZ PHE 25 HZ PHE 25 14.381 2.410 -0.710
197 H ALA 26 H ALA 26 12.108 -4.069 3.516
198 HA ALA 26 HA ALA 26 13.793 -2.612 5.278
199 HB1 ALA 26 HB1 ALA 26 12.832 -5.472 5.588
200 HB2 ALA 26 HB2 ALA 26 11.776 -4.072 5.776
201 HB3 ALA 26 HB3 ALA 26 13.136 -4.303 6.874
202 H HIS 27 H HIS 27 14.438 -5.521 3.359
203 HA HIS 27 HA HIS 27 17.169 -5.729 4.567
204 HB2 HIS 27 HB2 HIS 27 15.274 -7.614 4.228
205 HB3 HIS 27 HB3 HIS 27 16.066 -7.742 2.657
206 HD1 HIS 27 HD1 HIS 27 18.923 -7.636 3.066
207 HD2 HIS 27 HD2 HIS 27 16.490 -9.336 5.994
208 HE1 HIS 27 HE1 HIS 27 20.419 -9.129 4.464
209 H LEU 28 H LEU 28 16.130 -3.800 2.348
210 HA LEU 28 HA LEU 28 17.786 -4.679 0.038
211 HB2 LEU 28 HB2 LEU 28 15.402 -3.147 0.483
212 HB3 LEU 28 HB3 LEU 28 16.587 -2.104 -0.301
213 HG LEU 28 HG LEU 28 16.978 -4.024 -1.946
214 HD11 LEU 28 HD11 LEU 28 15.401 -5.780 -2.076
215 HD12 LEU 28 HD12 LEU 28 14.261 -4.951 -1.015
216 HD13 LEU 28 HD13 LEU 28 15.739 -5.646 -0.350
217 HD21 LEU 28 HD21 LEU 28 14.841 -3.480 -3.202
218 HD22 LEU 28 HD22 LEU 28 15.753 -2.072 -2.658
219 HD23 LEU 28 HD23 LEU 28 14.314 -2.586 -1.776
220 H LEU 29 H LEU 29 17.672 -2.178 2.560
221 HA LEU 29 HA LEU 29 20.450 -1.414 1.789
222 HB2 LEU 29 HB2 LEU 29 19.689 0.976 2.540
223 HB3 LEU 29 HB3 LEU 29 19.285 0.418 0.928
224 HG LEU 29 HG LEU 29 17.429 1.598 2.193
225 HD11 LEU 29 HD11 LEU 29 16.058 0.542 0.782
226 HD12 LEU 29 HD12 LEU 29 16.148 -0.947 1.720
227 HD13 LEU 29 HD13 LEU 29 17.351 -0.615 0.474
228 HD21 LEU 29 HD21 LEU 29 18.048 0.225 4.352
229 HD22 LEU 29 HD22 LEU 29 16.957 -0.975 3.664
230 HD23 LEU 29 HD23 LEU 29 16.370 0.645 4.026
231 HA PRO 30 HA PRO 30 21.179 -1.776 6.105
232 HB2 PRO 30 HB2 PRO 30 23.507 -0.360 6.300
233 HB3 PRO 30 HB3 PRO 30 23.401 -1.942 5.507
234 HG2 PRO 30 HG2 PRO 30 23.716 0.727 4.327
235 HG3 PRO 30 HG3 PRO 30 24.139 -0.858 3.669
236 HD2 PRO 30 HD2 PRO 30 21.864 0.734 3.043
237 HD3 PRO 30 HD3 PRO 30 22.241 -0.901 2.458
238 H ARG 31 H ARG 31 19.676 0.817 5.061
239 HA ARG 31 HA ARG 31 18.773 2.748 6.051
240 HB2 ARG 31 HB2 ARG 31 19.955 1.441 8.529
241 HB3 ARG 31 HB3 ARG 31 18.729 2.705 8.526
242 HG2 ARG 31 HG2 ARG 31 17.384 1.067 7.001
243 HG3 ARG 31 HG3 ARG 31 18.481 -0.160 7.637
244 HD2 ARG 31 HD2 ARG 31 17.790 1.078 9.955
245 HD3 ARG 31 HD3 ARG 31 16.301 1.313 9.019
246 HE ARG 31 HE ARG 31 16.056 -1.078 8.854
247 HH11 ARG 31 HH11 ARG 31 17.398 -0.420 11.683
248 HH12 ARG 31 HH12 ARG 31 18.409 -1.818 11.822
249 HH21 ARG 31 HH21 ARG 31 18.023 -2.751 8.496
250 HH22 ARG 31 HH22 ARG 31 18.766 -3.142 10.010
Start of MODEL 3
1 HA ASP 1 HA ASP 1 -19.502 15.691 2.411
2 HB2 ASP 1 HB2 ASP 1 -19.827 18.109 3.116
3 HB3 ASP 1 HB3 ASP 1 -18.227 18.035 3.857
4 H THR 2 H THR 2 -17.462 15.010 1.581
5 HA THR 2 HA THR 2 -15.389 13.888 1.648
6 HB THR 2 HB THR 2 -14.923 15.592 4.114
7 HG1 THR 2 HG1 THR 2 -14.748 16.315 1.372
8 HG21 THR 2 HG21 THR 2 -13.145 14.471 1.935
9 HG22 THR 2 HG22 THR 2 -13.103 14.088 3.655
10 HG23 THR 2 HG23 THR 2 -12.607 15.686 3.096
11 H GLU 3 H GLU 3 -17.314 12.288 2.649
12 HA GLU 3 HA GLU 3 -16.628 11.391 5.383
13 HB2 GLU 3 HB2 GLU 3 -18.812 11.174 3.462
14 HB3 GLU 3 HB3 GLU 3 -18.423 9.605 4.167
15 HG2 GLU 3 HG2 GLU 3 -20.045 10.630 5.614
16 HG3 GLU 3 HG3 GLU 3 -18.491 10.724 6.442
17 H ILE 4 H ILE 4 -14.903 10.039 5.630
18 HA ILE 4 HA ILE 4 -13.944 8.387 3.367
19 HB ILE 4 HB ILE 4 -12.054 7.951 4.959
20 HG12 ILE 4 HG12 ILE 4 -13.153 10.017 6.824
21 HG13 ILE 4 HG13 ILE 4 -13.785 8.376 6.964
22 HG21 ILE 4 HG21 ILE 4 -11.256 10.312 5.029
23 HG22 ILE 4 HG22 ILE 4 -12.881 10.848 4.602
24 HG23 ILE 4 HG23 ILE 4 -11.944 9.878 3.464
25 HD11 ILE 4 HD11 ILE 4 -10.843 9.116 7.017
26 HD12 ILE 4 HD12 ILE 4 -11.508 7.495 7.222
27 HD13 ILE 4 HD13 ILE 4 -11.817 8.736 8.437
28 H ILE 5 H ILE 5 -16.217 7.226 3.740
29 HA ILE 5 HA ILE 5 -16.187 5.231 5.915
30 HB ILE 5 HB ILE 5 -18.394 4.617 4.913
31 HG12 ILE 5 HG12 ILE 5 -18.771 6.807 3.136
32 HG13 ILE 5 HG13 ILE 5 -17.283 6.001 2.640
33 HG21 ILE 5 HG21 ILE 5 -17.831 7.544 5.437
34 HG22 ILE 5 HG22 ILE 5 -18.420 6.338 6.581
35 HG23 ILE 5 HG23 ILE 5 -19.462 6.892 5.270
36 HD11 ILE 5 HD11 ILE 5 -19.957 4.642 3.091
37 HD12 ILE 5 HD12 ILE 5 -18.466 3.834 2.602
38 HD13 ILE 5 HD13 ILE 5 -19.235 4.996 1.520
39 H GLY 6 H GLY 6 -15.407 3.186 5.675
40 HA2 GLY 6 HA2 GLY 6 -14.584 2.301 2.947
41 HA3 GLY 6 HA3 GLY 6 -13.923 1.674 4.458
42 H GLY 7 H GLY 7 -16.141 1.062 1.990
43 HA2 GLY 7 HA2 GLY 7 -17.515 -0.992 3.682
44 HA3 GLY 7 HA3 GLY 7 -18.365 -0.101 2.422
45 H LEU 8 H LEU 8 -18.073 -0.712 0.253
46 HA LEU 8 HA LEU 8 -16.494 -3.232 -0.168
47 HB2 LEU 8 HB2 LEU 8 -19.229 -2.437 -0.661
48 HB3 LEU 8 HB3 LEU 8 -18.458 -2.867 -2.186
49 HG LEU 8 HG LEU 8 -19.499 -4.839 -1.117
50 HD11 LEU 8 HD11 LEU 8 -16.535 -5.227 -0.815
51 HD12 LEU 8 HD12 LEU 8 -17.204 -4.835 -2.399
52 HD13 LEU 8 HD13 LEU 8 -17.729 -6.293 -1.556
53 HD21 LEU 8 HD21 LEU 8 -18.836 -5.633 1.023
54 HD22 LEU 8 HD22 LEU 8 -19.064 -3.898 1.244
55 HD23 LEU 8 HD23 LEU 8 -17.438 -4.560 1.079
56 H THR 9 H THR 9 -15.593 -0.339 -0.504
57 HA THR 9 HA THR 9 -14.855 -0.511 -3.409
58 HB THR 9 HB THR 9 -15.266 2.030 -1.804
59 HG1 THR 9 HG1 THR 9 -17.330 1.892 -2.180
60 HG21 THR 9 HG21 THR 9 -13.932 2.042 -3.963
61 HG22 THR 9 HG22 THR 9 -15.345 3.098 -3.952
62 HG23 THR 9 HG23 THR 9 -15.410 1.547 -4.788
63 H ILE 10 H ILE 10 -13.152 -1.753 -1.746
64 HA ILE 10 HA ILE 10 -10.838 0.118 -1.576
65 HB ILE 10 HB ILE 10 -11.953 0.058 0.623
66 HG12 ILE 10 HG12 ILE 10 -9.521 -1.664 0.982
67 HG13 ILE 10 HG13 ILE 10 -9.342 -0.068 0.254
68 HG21 ILE 10 HG21 ILE 10 -11.410 -2.926 0.562
69 HG22 ILE 10 HG22 ILE 10 -12.999 -2.190 0.352
70 HG23 ILE 10 HG23 ILE 10 -12.145 -2.023 1.886
71 HD11 ILE 10 HD11 ILE 10 -10.709 -0.602 2.907
72 HD12 ILE 10 HD12 ILE 10 -10.397 0.979 2.189
73 HD13 ILE 10 HD13 ILE 10 -9.052 -0.023 2.732
74 HA PRO 11 HA PRO 11 -9.039 -3.528 -3.376
75 HB2 PRO 11 HB2 PRO 11 -6.524 -2.525 -3.728
76 HB3 PRO 11 HB3 PRO 11 -7.895 -2.079 -4.761
77 HG2 PRO 11 HG2 PRO 11 -6.566 -0.540 -2.626
78 HG3 PRO 11 HG3 PRO 11 -7.423 0.026 -4.064
79 HD2 PRO 11 HD2 PRO 11 -8.416 -0.025 -1.439
80 HD3 PRO 11 HD3 PRO 11 -9.355 0.258 -2.919
81 HA PRO 12 HA PRO 12 -7.269 -5.038 0.499
82 HB2 PRO 12 HB2 PRO 12 -7.499 -7.693 -0.121
83 HB3 PRO 12 HB3 PRO 12 -8.857 -6.718 0.474
84 HG2 PRO 12 HG2 PRO 12 -8.221 -7.587 -2.295
85 HG3 PRO 12 HG3 PRO 12 -9.791 -7.416 -1.496
86 HD2 PRO 12 HD2 PRO 12 -8.761 -5.596 -3.270
87 HD3 PRO 12 HD3 PRO 12 -9.958 -5.205 -2.018
88 H VAL 13 H VAL 13 -6.400 -6.250 -2.753
89 HA VAL 13 HA VAL 13 -3.863 -7.400 -2.033
90 HB VAL 13 HB VAL 13 -4.977 -6.271 -4.625
91 HG11 VAL 13 HG11 VAL 13 -2.669 -6.357 -5.046
92 HG12 VAL 13 HG12 VAL 13 -3.209 -7.953 -5.566
93 HG13 VAL 13 HG13 VAL 13 -2.433 -7.754 -3.995
94 HG21 VAL 13 HG21 VAL 13 -5.271 -8.740 -5.112
95 HG22 VAL 13 HG22 VAL 13 -6.296 -8.128 -3.814
96 HG23 VAL 13 HG23 VAL 13 -4.848 -9.056 -3.429
97 H VAL 14 H VAL 14 -4.761 -4.153 -3.261
98 HA VAL 14 HA VAL 14 -2.135 -3.084 -3.539
99 HB VAL 14 HB VAL 14 -4.813 -1.841 -2.821
100 HG11 VAL 14 HG11 VAL 14 -2.287 -0.464 -3.790
101 HG12 VAL 14 HG12 VAL 14 -2.923 -0.364 -2.148
102 HG13 VAL 14 HG13 VAL 14 -3.844 0.308 -3.493
103 HG21 VAL 14 HG21 VAL 14 -4.755 -2.945 -5.005
104 HG22 VAL 14 HG22 VAL 14 -3.261 -2.104 -5.418
105 HG23 VAL 14 HG23 VAL 14 -4.762 -1.196 -5.236
106 H ALA 15 H ALA 15 -4.239 -3.356 -0.676
107 HA ALA 15 HA ALA 15 -2.551 -1.784 1.085
108 HB1 ALA 15 HB1 ALA 15 -4.790 -3.791 1.387
109 HB2 ALA 15 HB2 ALA 15 -4.823 -2.055 1.696
110 HB3 ALA 15 HB3 ALA 15 -3.972 -3.131 2.804
111 H LEU 16 H LEU 16 -2.851 -5.276 0.391
112 HA LEU 16 HA LEU 16 -0.855 -6.087 2.354
113 HB2 LEU 16 HB2 LEU 16 -2.833 -7.379 1.280
114 HB3 LEU 16 HB3 LEU 16 -1.748 -7.624 -0.089
115 HG LEU 16 HG LEU 16 -0.053 -8.421 1.756
116 HD11 LEU 16 HD11 LEU 16 -0.961 -9.208 3.770
117 HD12 LEU 16 HD12 LEU 16 -2.604 -9.232 3.133
118 HD13 LEU 16 HD13 LEU 16 -1.835 -7.696 3.530
119 HD21 LEU 16 HD21 LEU 16 -2.451 -9.993 0.774
120 HD22 LEU 16 HD22 LEU 16 -1.079 -10.740 1.592
121 HD23 LEU 16 HD23 LEU 16 -0.846 -9.920 0.049
122 H VAL 17 H VAL 17 -0.824 -5.400 -1.147
123 HA VAL 17 HA VAL 17 1.851 -6.336 -1.658
124 HB VAL 17 HB VAL 17 -0.222 -5.631 -3.179
125 HG11 VAL 17 HG11 VAL 17 0.145 -3.187 -2.390
126 HG12 VAL 17 HG12 VAL 17 -0.122 -3.470 -4.109
127 HG13 VAL 17 HG13 VAL 17 1.511 -3.186 -3.506
128 HG21 VAL 17 HG21 VAL 17 2.679 -5.224 -3.972
129 HG22 VAL 17 HG22 VAL 17 1.343 -5.476 -5.095
130 HG23 VAL 17 HG23 VAL 17 1.809 -6.759 -3.978
131 H VAL 18 H VAL 18 0.719 -3.548 0.038
132 HA VAL 18 HA VAL 18 3.261 -2.055 -0.414
133 HB VAL 18 HB VAL 18 0.572 -1.411 0.840
134 HG11 VAL 18 HG11 VAL 18 1.501 0.936 1.020
135 HG12 VAL 18 HG12 VAL 18 3.100 0.260 0.702
136 HG13 VAL 18 HG13 VAL 18 2.213 -0.216 2.150
137 HG21 VAL 18 HG21 VAL 18 0.910 -1.485 -1.702
138 HG22 VAL 18 HG22 VAL 18 1.979 -0.097 -1.497
139 HG23 VAL 18 HG23 VAL 18 0.279 0.025 -1.046
140 H MET 19 H MET 19 1.249 -3.401 2.229
141 HA MET 19 HA MET 19 2.963 -2.716 4.410
142 HB2 MET 19 HB2 MET 19 0.553 -3.552 4.394
143 HB3 MET 19 HB3 MET 19 1.204 -5.171 4.135
144 HG2 MET 19 HG2 MET 19 2.457 -5.050 6.223
145 HG3 MET 19 HG3 MET 19 1.956 -3.376 6.461
146 HE1 MET 19 HE1 MET 19 1.144 -7.071 6.623
147 HE2 MET 19 HE2 MET 19 0.147 -6.645 5.235
148 HE3 MET 19 HE3 MET 19 -0.619 -7.166 6.733
149 H SER 20 H SER 20 2.745 -5.795 2.556
150 HA SER 20 HA SER 20 4.964 -7.060 3.904
151 HB2 SER 20 HB2 SER 20 3.012 -8.014 2.464
152 HB3 SER 20 HB3 SER 20 4.045 -7.641 1.086
153 HG SER 20 HG SER 20 4.251 -9.620 2.980
154 H ARG 21 H ARG 21 4.698 -5.214 0.854
155 HA ARG 21 HA ARG 21 7.390 -5.576 -0.052
156 HB2 ARG 21 HB2 ARG 21 5.374 -4.703 -1.303
157 HB3 ARG 21 HB3 ARG 21 5.577 -3.178 -0.440
158 HG2 ARG 21 HG2 ARG 21 7.480 -2.613 -1.603
159 HG3 ARG 21 HG3 ARG 21 7.987 -4.292 -1.795
160 HD2 ARG 21 HD2 ARG 21 7.288 -3.328 -3.973
161 HD3 ARG 21 HD3 ARG 21 6.180 -4.625 -3.483
162 HE ARG 21 HE ARG 21 4.489 -2.995 -3.168
163 HH11 ARG 21 HH11 ARG 21 6.658 -1.437 -4.962
164 HH12 ARG 21 HH12 ARG 21 6.501 0.129 -4.240
165 HH21 ARG 21 HH21 ARG 21 4.682 -1.023 -1.513
166 HH22 ARG 21 HH22 ARG 21 5.381 0.364 -2.279
167 H PHE 22 H PHE 22 5.946 -3.201 2.184
168 HA PHE 22 HA PHE 22 8.093 -1.359 2.393
169 HB2 PHE 22 HB2 PHE 22 5.707 -1.364 3.390
170 HB3 PHE 22 HB3 PHE 22 6.391 -2.322 4.703
171 HD1 PHE 22 HD1 PHE 22 6.430 0.965 3.016
172 HD2 PHE 22 HD2 PHE 22 7.955 -1.359 6.293
173 HE1 PHE 22 HE2 PHE 22 7.295 3.031 4.080
174 HE2 PHE 22 HE1 PHE 22 8.820 0.709 7.355
175 HZ PHE 22 HZ PHE 22 8.489 2.904 6.249
176 H GLY 23 H GLY 23 7.530 -4.419 4.160
177 HA2 GLY 23 HA2 GLY 23 10.057 -4.195 5.627
178 HA3 GLY 23 HA3 GLY 23 8.949 -5.569 5.670
179 H PHE 24 H PHE 24 8.840 -5.895 2.763
180 HA PHE 24 HA PHE 24 11.080 -7.659 2.383
181 HB2 PHE 24 HB2 PHE 24 8.629 -6.890 1.083
182 HB3 PHE 24 HB3 PHE 24 9.924 -6.915 -0.113
183 HD1 PHE 24 HD1 PHE 24 11.563 -8.997 0.054
184 HD2 PHE 24 HD2 PHE 24 7.559 -8.896 1.611
185 HE1 PHE 24 HE1 PHE 24 11.486 -11.475 0.020
186 HE2 PHE 24 HE2 PHE 24 7.484 -11.374 1.576
187 HZ PHE 24 HZ PHE 24 9.447 -12.664 0.781
188 H PHE 25 H PHE 25 10.350 -4.412 1.044
189 HA PHE 25 HA PHE 25 12.513 -4.055 -0.704
190 HB2 PHE 25 HB2 PHE 25 10.480 -2.563 0.023
191 HB3 PHE 25 HB3 PHE 25 11.619 -1.887 1.187
192 HD1 PHE 25 HD1 PHE 25 11.028 -2.487 -2.440
193 HD2 PHE 25 HD2 PHE 25 13.342 -0.381 0.505
194 HE1 PHE 25 HE1 PHE 25 12.005 -1.066 -4.222
195 HE2 PHE 25 HE2 PHE 25 14.317 1.040 -1.277
196 HZ PHE 25 HZ PHE 25 13.649 0.698 -3.641
197 H ALA 26 H ALA 26 12.519 -3.840 2.846
198 HA ALA 26 HA ALA 26 15.045 -2.610 3.267
199 HB1 ALA 26 HB1 ALA 26 13.633 -4.796 4.832
200 HB2 ALA 26 HB2 ALA 26 13.324 -3.066 4.984
201 HB3 ALA 26 HB3 ALA 26 14.885 -3.730 5.468
202 H HIS 27 H HIS 27 14.240 -5.996 2.507
203 HA HIS 27 HA HIS 27 17.180 -6.550 2.242
204 HB2 HIS 27 HB2 HIS 27 15.055 -7.807 3.836
205 HB3 HIS 27 HB3 HIS 27 15.956 -8.965 2.859
206 HD1 HIS 27 HD1 HIS 27 18.441 -9.340 3.425
207 HD2 HIS 27 HD2 HIS 27 16.627 -6.447 5.816
208 HE1 HIS 27 HE1 HIS 27 20.062 -8.847 5.307
209 H LEU 28 H LEU 28 15.131 -5.759 0.179
210 HA LEU 28 HA LEU 28 14.872 -8.270 -1.416
211 HB2 LEU 28 HB2 LEU 28 12.935 -6.697 -0.933
212 HB3 LEU 28 HB3 LEU 28 13.750 -5.503 -1.942
213 HG LEU 28 HG LEU 28 13.833 -7.574 -3.643
214 HD11 LEU 28 HD11 LEU 28 11.671 -8.811 -3.487
215 HD12 LEU 28 HD12 LEU 28 11.378 -8.046 -1.924
216 HD13 LEU 28 HD13 LEU 28 12.741 -9.147 -2.125
217 HD21 LEU 28 HD21 LEU 28 11.761 -6.660 -4.657
218 HD22 LEU 28 HD22 LEU 28 12.825 -5.370 -4.096
219 HD23 LEU 28 HD23 LEU 28 11.405 -5.816 -3.150
220 H LEU 29 H LEU 29 16.335 -5.024 -1.515
221 HA LEU 29 HA LEU 29 17.774 -5.841 -4.018
222 HB2 LEU 29 HB2 LEU 29 17.821 -3.360 -4.468
223 HB3 LEU 29 HB3 LEU 29 16.201 -4.049 -4.437
224 HG LEU 29 HG LEU 29 17.110 -3.146 -1.793
225 HD11 LEU 29 HD11 LEU 29 16.886 -0.735 -2.308
226 HD12 LEU 29 HD12 LEU 29 16.761 -1.120 -4.025
227 HD13 LEU 29 HD13 LEU 29 18.260 -1.447 -3.154
228 HD21 LEU 29 HD21 LEU 29 14.700 -2.755 -3.578
229 HD22 LEU 29 HD22 LEU 29 14.855 -1.925 -2.030
230 HD23 LEU 29 HD23 LEU 29 14.810 -3.685 -2.085
231 HA PRO 30 HA PRO 30 20.950 -5.173 -0.736
232 HB2 PRO 30 HB2 PRO 30 22.373 -7.452 -1.250
233 HB3 PRO 30 HB3 PRO 30 20.975 -7.413 -0.159
234 HG2 PRO 30 HG2 PRO 30 21.170 -8.400 -2.948
235 HG3 PRO 30 HG3 PRO 30 20.188 -8.995 -1.602
236 HD2 PRO 30 HD2 PRO 30 19.248 -7.431 -3.679
237 HD3 PRO 30 HD3 PRO 30 18.462 -7.609 -2.097
238 H ARG 31 H ARG 31 21.075 -3.618 -2.923
239 HA ARG 31 HA ARG 31 23.846 -4.014 -3.949
240 HB2 ARG 31 HB2 ARG 31 21.293 -4.183 -5.421
241 HB3 ARG 31 HB3 ARG 31 22.480 -3.115 -6.168
242 HG2 ARG 31 HG2 ARG 31 23.189 -5.905 -5.241
243 HG3 ARG 31 HG3 ARG 31 22.575 -5.582 -6.863
244 HD2 ARG 31 HD2 ARG 31 24.459 -4.250 -7.437
245 HD3 ARG 31 HD3 ARG 31 24.955 -4.080 -5.741
246 HE ARG 31 HE ARG 31 25.263 -6.651 -5.827
247 HH11 ARG 31 HH11 ARG 31 24.516 -7.157 -8.612
248 HH12 ARG 31 HH12 ARG 31 26.024 -7.064 -9.460
249 HH21 ARG 31 HH21 ARG 31 27.667 -5.405 -6.883
250 HH22 ARG 31 HH22 ARG 31 27.817 -6.068 -8.476
Start of MODEL 4
1 HA ASP 1 HA ASP 1 -21.262 9.999 12.746
2 HB2 ASP 1 HB2 ASP 1 -23.635 10.914 11.119
3 HB3 ASP 1 HB3 ASP 1 -23.702 9.401 12.023
4 H THR 2 H THR 2 -20.267 8.122 12.124
5 HA THR 2 HA THR 2 -20.948 6.954 9.450
6 HB THR 2 HB THR 2 -18.392 6.301 9.530
7 HG1 THR 2 HG1 THR 2 -17.422 7.147 11.171
8 HG21 THR 2 HG21 THR 2 -19.804 8.145 8.152
9 HG22 THR 2 HG22 THR 2 -18.061 7.942 7.974
10 HG23 THR 2 HG23 THR 2 -18.698 9.209 9.022
11 H GLU 3 H GLU 3 -22.049 5.120 10.107
12 HA GLU 3 HA GLU 3 -20.730 3.374 12.166
13 HB2 GLU 3 HB2 GLU 3 -23.088 4.666 12.426
14 HB3 GLU 3 HB3 GLU 3 -23.657 3.200 11.627
15 HG2 GLU 3 HG2 GLU 3 -22.929 1.810 13.370
16 HG3 GLU 3 HG3 GLU 3 -21.783 3.007 13.975
17 H ILE 4 H ILE 4 -20.583 3.427 9.078
18 HA ILE 4 HA ILE 4 -21.686 0.689 8.538
19 HB ILE 4 HB ILE 4 -20.838 2.918 6.651
20 HG12 ILE 4 HG12 ILE 4 -23.675 2.012 7.090
21 HG13 ILE 4 HG13 ILE 4 -22.955 3.180 8.197
22 HG21 ILE 4 HG21 ILE 4 -20.669 0.925 5.414
23 HG22 ILE 4 HG22 ILE 4 -22.317 1.454 5.078
24 HG23 ILE 4 HG23 ILE 4 -22.025 0.176 6.257
25 HD11 ILE 4 HD11 ILE 4 -24.109 4.358 6.387
26 HD12 ILE 4 HD12 ILE 4 -23.168 3.473 5.187
27 HD13 ILE 4 HD13 ILE 4 -22.370 4.623 6.261
28 H ILE 5 H ILE 5 -19.716 -0.106 9.735
29 HA ILE 5 HA ILE 5 -17.620 -1.178 9.685
30 HB ILE 5 HB ILE 5 -17.629 -0.376 6.754
31 HG12 ILE 5 HG12 ILE 5 -18.692 -2.968 7.899
32 HG13 ILE 5 HG13 ILE 5 -19.743 -1.581 7.611
33 HG21 ILE 5 HG21 ILE 5 -16.228 -2.510 8.373
34 HG22 ILE 5 HG22 ILE 5 -15.503 -1.267 7.353
35 HG23 ILE 5 HG23 ILE 5 -16.379 -2.610 6.619
36 HD11 ILE 5 HD11 ILE 5 -19.165 -1.566 5.250
37 HD12 ILE 5 HD12 ILE 5 -19.692 -3.191 5.691
38 HD13 ILE 5 HD13 ILE 5 -17.973 -2.843 5.497
39 H GLY 6 H GLY 6 -15.277 -0.636 9.515
40 HA2 GLY 6 HA2 GLY 6 -14.739 2.105 10.211
41 HA3 GLY 6 HA3 GLY 6 -13.514 0.874 9.896
42 H GLY 7 H GLY 7 -13.309 0.283 7.479
43 HA2 GLY 7 HA2 GLY 7 -13.562 2.773 5.833
44 HA3 GLY 7 HA3 GLY 7 -12.189 1.671 5.700
45 H LEU 8 H LEU 8 -15.606 0.766 6.031
46 HA LEU 8 HA LEU 8 -16.960 -0.618 4.688
47 HB2 LEU 8 HB2 LEU 8 -15.584 1.370 2.937
48 HB3 LEU 8 HB3 LEU 8 -16.442 0.060 2.127
49 HG LEU 8 HG LEU 8 -17.816 1.517 4.360
50 HD11 LEU 8 HD11 LEU 8 -18.629 3.217 2.814
51 HD12 LEU 8 HD12 LEU 8 -17.702 2.504 1.494
52 HD13 LEU 8 HD13 LEU 8 -16.867 3.268 2.847
53 HD21 LEU 8 HD21 LEU 8 -19.765 0.743 3.309
54 HD22 LEU 8 HD22 LEU 8 -18.631 -0.572 2.997
55 HD23 LEU 8 HD23 LEU 8 -18.981 0.609 1.735
56 H THR 9 H THR 9 -14.429 -1.790 5.527
57 HA THR 9 HA THR 9 -13.083 -3.667 5.081
58 HB THR 9 HB THR 9 -15.147 -4.177 2.919
59 HG1 THR 9 HG1 THR 9 -15.255 -4.621 5.720
60 HG21 THR 9 HG21 THR 9 -13.427 -5.811 2.813
61 HG22 THR 9 HG22 THR 9 -14.717 -6.570 3.747
62 HG23 THR 9 HG23 THR 9 -13.305 -5.908 4.570
63 H ILE 10 H ILE 10 -11.337 -2.321 4.267
64 HA ILE 10 HA ILE 10 -11.112 -1.546 1.487
65 HB ILE 10 HB ILE 10 -8.746 -1.083 2.159
66 HG12 ILE 10 HG12 ILE 10 -9.483 -2.048 4.923
67 HG13 ILE 10 HG13 ILE 10 -8.751 -3.146 3.753
68 HG21 ILE 10 HG21 ILE 10 -10.782 0.399 2.739
69 HG22 ILE 10 HG22 ILE 10 -9.281 0.697 3.615
70 HG23 ILE 10 HG23 ILE 10 -10.586 -0.207 4.383
71 HD11 ILE 10 HD11 ILE 10 -6.919 -2.237 4.962
72 HD12 ILE 10 HD12 ILE 10 -7.590 -0.607 4.907
73 HD13 ILE 10 HD13 ILE 10 -6.944 -1.345 3.442
74 HA PRO 11 HA PRO 11 -9.653 -5.254 -0.353
75 HB2 PRO 11 HB2 PRO 11 -7.863 -4.294 -2.192
76 HB3 PRO 11 HB3 PRO 11 -9.622 -4.136 -2.375
77 HG2 PRO 11 HG2 PRO 11 -7.629 -2.130 -1.447
78 HG3 PRO 11 HG3 PRO 11 -9.051 -1.914 -2.479
79 HD2 PRO 11 HD2 PRO 11 -9.000 -1.246 0.160
80 HD3 PRO 11 HD3 PRO 11 -10.479 -1.733 -0.699
81 HA PRO 12 HA PRO 12 -5.981 -5.983 2.123
82 HB2 PRO 12 HB2 PRO 12 -5.922 -8.698 1.748
83 HB3 PRO 12 HB3 PRO 12 -7.014 -7.900 2.898
84 HG2 PRO 12 HG2 PRO 12 -7.572 -8.921 0.156
85 HG3 PRO 12 HG3 PRO 12 -8.574 -8.996 1.614
86 HD2 PRO 12 HD2 PRO 12 -8.991 -7.198 -0.378
87 HD3 PRO 12 HD3 PRO 12 -9.395 -6.875 1.323
88 H VAL 13 H VAL 13 -6.484 -7.267 -1.165
89 HA VAL 13 HA VAL 13 -3.775 -8.003 -1.728
90 HB VAL 13 HB VAL 13 -5.821 -8.635 -3.022
91 HG11 VAL 13 HG11 VAL 13 -6.877 -7.078 -4.519
92 HG12 VAL 13 HG12 VAL 13 -5.664 -5.842 -4.185
93 HG13 VAL 13 HG13 VAL 13 -6.820 -6.304 -2.936
94 HG21 VAL 13 HG21 VAL 13 -3.594 -8.854 -4.050
95 HG22 VAL 13 HG22 VAL 13 -3.685 -7.187 -4.621
96 HG23 VAL 13 HG23 VAL 13 -4.793 -8.401 -5.262
97 H VAL 14 H VAL 14 -5.466 -4.880 -1.925
98 HA VAL 14 HA VAL 14 -3.300 -3.490 -3.297
99 HB VAL 14 HB VAL 14 -5.698 -2.571 -1.665
100 HG11 VAL 14 HG11 VAL 14 -3.796 -1.024 -3.452
101 HG12 VAL 14 HG12 VAL 14 -4.065 -0.775 -1.726
102 HG13 VAL 14 HG13 VAL 14 -5.343 -0.398 -2.883
103 HG21 VAL 14 HG21 VAL 14 -6.687 -2.146 -3.894
104 HG22 VAL 14 HG22 VAL 14 -6.258 -3.845 -3.707
105 HG23 VAL 14 HG23 VAL 14 -5.230 -2.776 -4.660
106 H ALA 15 H ALA 15 -4.411 -3.723 0.099
107 HA ALA 15 HA ALA 15 -2.468 -1.971 1.260
108 HB1 ALA 15 HB1 ALA 15 -3.810 -4.439 2.415
109 HB2 ALA 15 HB2 ALA 15 -4.560 -2.847 2.313
110 HB3 ALA 15 HB3 ALA 15 -3.144 -3.090 3.335
111 H LEU 16 H LEU 16 -2.354 -5.441 0.463
112 HA LEU 16 HA LEU 16 0.133 -6.025 1.804
113 HB2 LEU 16 HB2 LEU 16 -1.749 -7.552 0.860
114 HB3 LEU 16 HB3 LEU 16 -0.909 -7.389 -0.682
115 HG LEU 16 HG LEU 16 1.208 -8.117 0.547
116 HD11 LEU 16 HD11 LEU 16 0.717 -9.489 2.623
117 HD12 LEU 16 HD12 LEU 16 -0.888 -8.759 2.640
118 HD13 LEU 16 HD13 LEU 16 0.542 -7.746 2.835
119 HD21 LEU 16 HD21 LEU 16 -1.118 -10.065 0.409
120 HD22 LEU 16 HD22 LEU 16 0.590 -10.507 0.434
121 HD23 LEU 16 HD23 LEU 16 -0.071 -9.620 -0.940
122 H VAL 17 H VAL 17 -0.643 -5.043 -1.551
123 HA VAL 17 HA VAL 17 2.011 -5.244 -2.615
124 HB VAL 17 HB VAL 17 -0.454 -3.616 -3.288
125 HG11 VAL 17 HG11 VAL 17 1.382 -2.313 -4.154
126 HG12 VAL 17 HG12 VAL 17 0.690 -3.208 -5.507
127 HG13 VAL 17 HG13 VAL 17 2.191 -3.758 -4.762
128 HG21 VAL 17 HG21 VAL 17 -0.381 -6.147 -3.566
129 HG22 VAL 17 HG22 VAL 17 0.874 -5.895 -4.779
130 HG23 VAL 17 HG23 VAL 17 -0.744 -5.240 -5.035
131 H VAL 18 H VAL 18 0.527 -2.847 -0.532
132 HA VAL 18 HA VAL 18 2.700 -0.880 -1.042
133 HB VAL 18 HB VAL 18 0.156 -0.861 0.619
134 HG11 VAL 18 HG11 VAL 18 0.591 1.355 1.232
135 HG12 VAL 18 HG12 VAL 18 1.769 1.585 -0.059
136 HG13 VAL 18 HG13 VAL 18 2.191 0.624 1.358
137 HG21 VAL 18 HG21 VAL 18 0.942 0.146 -2.106
138 HG22 VAL 18 HG22 VAL 18 -0.327 0.970 -1.200
139 HG23 VAL 18 HG23 VAL 18 -0.510 -0.732 -1.624
140 H MET 19 H MET 19 1.413 -2.961 1.560
141 HA MET 19 HA MET 19 3.373 -2.027 3.526
142 HB2 MET 19 HB2 MET 19 0.926 -3.031 3.728
143 HB3 MET 19 HB3 MET 19 1.794 -4.566 3.770
144 HG2 MET 19 HG2 MET 19 3.067 -3.886 5.694
145 HG3 MET 19 HG3 MET 19 2.479 -2.228 5.569
146 HE1 MET 19 HE1 MET 19 0.089 -1.491 7.084
147 HE2 MET 19 HE2 MET 19 -1.169 -2.355 6.204
148 HE3 MET 19 HE3 MET 19 0.197 -1.669 5.327
149 H SER 20 H SER 20 2.875 -5.136 1.769
150 HA SER 20 HA SER 20 5.190 -6.462 2.789
151 HB2 SER 20 HB2 SER 20 3.743 -6.717 0.136
152 HB3 SER 20 HB3 SER 20 4.860 -7.910 0.791
153 HG SER 20 HG SER 20 3.027 -8.629 1.609
154 H ARG 21 H ARG 21 4.798 -4.285 -0.003
155 HA ARG 21 HA ARG 21 7.296 -4.659 -1.283
156 HB2 ARG 21 HB2 ARG 21 5.179 -3.214 -1.820
157 HB3 ARG 21 HB3 ARG 21 6.013 -1.955 -0.909
158 HG2 ARG 21 HG2 ARG 21 7.538 -3.425 -3.027
159 HG3 ARG 21 HG3 ARG 21 6.373 -2.202 -3.531
160 HD2 ARG 21 HD2 ARG 21 8.530 -1.673 -1.459
161 HD3 ARG 21 HD3 ARG 21 8.717 -1.303 -3.184
162 HE ARG 21 HE ARG 21 6.223 -0.222 -2.332
163 HH11 ARG 21 HH11 ARG 21 8.647 1.154 -3.688
164 HH12 ARG 21 HH12 ARG 21 8.974 2.409 -2.541
165 HH21 ARG 21 HH21 ARG 21 7.054 0.966 -0.026
166 HH22 ARG 21 HH22 ARG 21 8.067 2.304 -0.460
167 H PHE 22 H PHE 22 6.460 -2.386 1.369
168 HA PHE 22 HA PHE 22 9.087 -1.275 1.699
169 HB2 PHE 22 HB2 PHE 22 6.976 -0.310 2.575
170 HB3 PHE 22 HB3 PHE 22 6.811 -1.677 3.676
171 HD1 PHE 22 HD1 PHE 22 9.127 1.115 2.756
172 HD2 PHE 22 HD2 PHE 22 7.846 -1.641 5.792
173 HE1 PHE 22 HE1 PHE 22 10.569 2.268 4.410
174 HE2 PHE 22 HE2 PHE 22 9.287 -0.487 7.447
175 HZ PHE 22 HZ PHE 22 10.650 1.467 6.756
176 H GLY 23 H GLY 23 7.438 -4.020 3.306
177 HA2 GLY 23 HA2 GLY 23 9.556 -4.685 5.110
178 HA3 GLY 23 HA3 GLY 23 8.303 -5.802 4.567
179 H PHE 24 H PHE 24 8.816 -5.812 1.802
180 HA PHE 24 HA PHE 24 10.905 -7.739 1.548
181 HB2 PHE 24 HB2 PHE 24 8.940 -6.398 -0.066
182 HB3 PHE 24 HB3 PHE 24 10.477 -6.378 -0.930
183 HD1 PHE 24 HD1 PHE 24 8.027 -8.601 0.782
184 HD2 PHE 24 HD2 PHE 24 11.391 -8.361 -1.880
185 HE1 PHE 24 HE2 PHE 24 7.736 -10.993 0.196
186 HE2 PHE 24 HE1 PHE 24 11.098 -10.752 -2.466
187 HZ PHE 24 HZ PHE 24 9.270 -12.068 -1.428
188 H PHE 25 H PHE 25 10.888 -4.214 0.975
189 HA PHE 25 HA PHE 25 13.510 -3.956 -0.132
190 HB2 PHE 25 HB2 PHE 25 11.532 -2.293 0.101
191 HB3 PHE 25 HB3 PHE 25 12.172 -1.969 1.712
192 HD1 PHE 25 HD1 PHE 25 14.412 -0.972 2.006
193 HD2 PHE 25 HD2 PHE 25 12.714 -1.581 -1.893
194 HE1 PHE 25 HE1 PHE 25 16.106 0.554 1.030
195 HE2 PHE 25 HE2 PHE 25 14.408 -0.054 -2.868
196 HZ PHE 25 HZ PHE 25 16.104 1.013 -1.407
197 H ALA 26 H ALA 26 12.378 -4.140 3.233
198 HA ALA 26 HA ALA 26 15.053 -3.603 4.345
199 HB1 ALA 26 HB1 ALA 26 12.290 -4.231 5.373
200 HB2 ALA 26 HB2 ALA 26 13.262 -2.783 5.634
201 HB3 ALA 26 HB3 ALA 26 13.672 -4.282 6.467
202 H HIS 27 H HIS 27 12.911 -6.409 3.841
203 HA HIS 27 HA HIS 27 14.568 -8.306 5.284
204 HB2 HIS 27 HB2 HIS 27 12.220 -8.330 3.429
205 HB3 HIS 27 HB3 HIS 27 13.083 -9.848 3.676
206 HD1 HIS 27 HD1 HIS 27 13.041 -10.882 6.064
207 HD2 HIS 27 HD2 HIS 27 10.827 -7.367 5.719
208 HE1 HIS 27 HE1 HIS 27 11.633 -10.714 8.162
209 H LEU 28 H LEU 28 14.385 -7.280 1.873
210 HA LEU 28 HA LEU 28 16.494 -9.257 1.135
211 HB2 LEU 28 HB2 LEU 28 14.198 -8.132 -0.084
212 HB3 LEU 28 HB3 LEU 28 15.578 -7.510 -0.986
213 HG LEU 28 HG LEU 28 15.423 -10.435 -0.287
214 HD11 LEU 28 HD11 LEU 28 14.379 -10.753 -2.563
215 HD12 LEU 28 HD12 LEU 28 14.082 -9.016 -2.605
216 HD13 LEU 28 HD13 LEU 28 13.305 -10.014 -1.376
217 HD21 LEU 28 HD21 LEU 28 16.797 -10.612 -2.334
218 HD22 LEU 28 HD22 LEU 28 17.529 -9.495 -1.183
219 HD23 LEU 28 HD23 LEU 28 16.654 -8.872 -2.583
220 H LEU 29 H LEU 29 17.156 -6.897 2.835
221 HA LEU 29 HA LEU 29 18.622 -5.061 1.039
222 HB2 LEU 29 HB2 LEU 29 17.282 -4.645 3.295
223 HB3 LEU 29 HB3 LEU 29 18.825 -5.078 4.034
224 HG LEU 29 HG LEU 29 18.931 -3.136 1.780
225 HD11 LEU 29 HD11 LEU 29 18.218 -1.265 3.096
226 HD12 LEU 29 HD12 LEU 29 18.075 -2.258 4.547
227 HD13 LEU 29 HD13 LEU 29 16.937 -2.471 3.216
228 HD21 LEU 29 HD21 LEU 29 20.832 -4.070 3.327
229 HD22 LEU 29 HD22 LEU 29 20.214 -2.901 4.495
230 HD23 LEU 29 HD23 LEU 29 20.819 -2.351 2.932
231 HA PRO 30 HA PRO 30 22.315 -7.512 1.401
232 HB2 PRO 30 HB2 PRO 30 24.048 -5.711 0.281
233 HB3 PRO 30 HB3 PRO 30 22.912 -6.682 -0.675
234 HG2 PRO 30 HG2 PRO 30 22.727 -3.838 0.169
235 HG3 PRO 30 HG3 PRO 30 22.225 -4.602 -1.346
236 HD2 PRO 30 HD2 PRO 30 20.502 -3.918 0.670
237 HD3 PRO 30 HD3 PRO 30 20.188 -5.205 -0.514
238 H ARG 31 H ARG 31 22.259 -7.305 3.782
239 HA ARG 31 HA ARG 31 23.208 -6.730 5.855
240 HB2 ARG 31 HB2 ARG 31 25.313 -5.792 3.883
241 HB3 ARG 31 HB3 ARG 31 25.575 -5.815 5.625
242 HG2 ARG 31 HG2 ARG 31 25.667 -8.106 5.725
243 HG3 ARG 31 HG3 ARG 31 24.507 -8.314 4.412
244 HD2 ARG 31 HD2 ARG 31 26.158 -7.935 2.742
245 HD3 ARG 31 HD3 ARG 31 27.298 -7.243 3.914
246 HE ARG 31 HE ARG 31 26.491 -10.131 3.883
247 HH11 ARG 31 HH11 ARG 31 27.607 -9.244 6.475
248 HH12 ARG 31 HH12 ARG 31 29.306 -9.519 6.280
249 HH21 ARG 31 HH21 ARG 31 29.135 -9.755 2.816
250 HH22 ARG 31 HH22 ARG 31 30.174 -9.811 4.200
Start of MODEL 5
1 HA ASP 1 HA ASP 1 -3.347 -22.136 -0.554
2 HB2 ASP 1 HB2 ASP 1 -1.903 -22.334 1.762
3 HB3 ASP 1 HB3 ASP 1 -1.234 -20.850 1.081
4 H THR 2 H THR 2 -3.271 -20.902 -2.394
5 HA THR 2 HA THR 2 -0.886 -19.247 -2.969
6 HB THR 2 HB THR 2 -0.443 -21.501 -3.949
7 HG1 THR 2 HG1 THR 2 0.430 -19.778 -5.034
8 HG21 THR 2 HG21 THR 2 -2.730 -20.967 -5.844
9 HG22 THR 2 HG22 THR 2 -2.964 -21.896 -4.363
10 HG23 THR 2 HG23 THR 2 -1.839 -22.468 -5.593
11 H GLU 3 H GLU 3 -1.329 -17.714 -4.786
12 HA GLU 3 HA GLU 3 -4.264 -17.285 -5.240
13 HB2 GLU 3 HB2 GLU 3 -3.798 -14.882 -4.986
14 HB3 GLU 3 HB3 GLU 3 -3.249 -15.756 -3.557
15 HG2 GLU 3 HG2 GLU 3 -1.180 -15.596 -5.622
16 HG3 GLU 3 HG3 GLU 3 -1.713 -14.005 -5.081
17 H ILE 4 H ILE 4 -2.604 -18.719 -7.071
18 HA ILE 4 HA ILE 4 -1.953 -16.771 -9.231
19 HB ILE 4 HB ILE 4 -1.498 -19.763 -8.940
20 HG12 ILE 4 HG12 ILE 4 -0.218 -18.521 -7.277
21 HG13 ILE 4 HG13 ILE 4 0.879 -19.062 -8.545
22 HG21 ILE 4 HG21 ILE 4 0.211 -19.290 -10.780
23 HG22 ILE 4 HG22 ILE 4 -0.597 -17.738 -11.001
24 HG23 ILE 4 HG23 ILE 4 -1.482 -19.240 -11.272
25 HD11 ILE 4 HD11 ILE 4 0.272 -16.695 -9.601
26 HD12 ILE 4 HD12 ILE 4 1.532 -16.847 -8.377
27 HD13 ILE 4 HD13 ILE 4 -0.080 -16.298 -7.920
28 H ILE 5 H ILE 5 -3.946 -19.695 -8.658
29 HA ILE 5 HA ILE 5 -5.373 -19.200 -11.232
30 HB ILE 5 HB ILE 5 -5.510 -21.538 -9.295
31 HG12 ILE 5 HG12 ILE 5 -4.012 -21.654 -11.888
32 HG13 ILE 5 HG13 ILE 5 -3.230 -20.867 -10.519
33 HG21 ILE 5 HG21 ILE 5 -7.414 -21.406 -10.834
34 HG22 ILE 5 HG22 ILE 5 -6.361 -22.742 -11.301
35 HG23 ILE 5 HG23 ILE 5 -6.317 -21.228 -12.205
36 HD11 ILE 5 HD11 ILE 5 -4.151 -23.725 -10.768
37 HD12 ILE 5 HD12 ILE 5 -3.919 -22.986 -9.184
38 HD13 ILE 5 HD13 ILE 5 -2.563 -23.116 -10.304
39 H GLY 6 H GLY 6 -6.226 -17.219 -9.807
40 HA2 GLY 6 HA2 GLY 6 -8.218 -16.249 -9.004
41 HA3 GLY 6 HA3 GLY 6 -8.979 -17.834 -9.117
42 H GLY 7 H GLY 7 -6.496 -16.165 -7.132
43 HA2 GLY 7 HA2 GLY 7 -7.403 -17.782 -4.794
44 HA3 GLY 7 HA3 GLY 7 -5.876 -16.906 -4.890
45 H LEU 8 H LEU 8 -5.984 -14.535 -4.868
46 HA LEU 8 HA LEU 8 -6.563 -12.671 -3.510
47 HB2 LEU 8 HB2 LEU 8 -8.465 -11.566 -4.586
48 HB3 LEU 8 HB3 LEU 8 -7.484 -12.388 -5.793
49 HG LEU 8 HG LEU 8 -9.653 -14.046 -4.665
50 HD11 LEU 8 HD11 LEU 8 -11.398 -12.902 -6.028
51 HD12 LEU 8 HD12 LEU 8 -10.262 -11.586 -6.329
52 HD13 LEU 8 HD13 LEU 8 -10.827 -11.908 -4.688
53 HD21 LEU 8 HD21 LEU 8 -9.263 -13.369 -7.563
54 HD22 LEU 8 HD22 LEU 8 -9.697 -14.912 -6.827
55 HD23 LEU 8 HD23 LEU 8 -8.033 -14.335 -6.747
56 H THR 9 H THR 9 -6.840 -14.492 -1.657
57 HA THR 9 HA THR 9 -9.639 -14.614 -0.671
58 HB THR 9 HB THR 9 -7.969 -16.544 -0.715
59 HG1 THR 9 HG1 THR 9 -8.696 -17.286 1.289
60 HG21 THR 9 HG21 THR 9 -6.819 -15.099 1.688
61 HG22 THR 9 HG22 THR 9 -6.039 -15.159 0.107
62 HG23 THR 9 HG23 THR 9 -6.287 -16.643 1.025
63 H ILE 10 H ILE 10 -7.668 -12.127 -0.643
64 HA ILE 10 HA ILE 10 -8.279 -11.383 2.191
65 HB ILE 10 HB ILE 10 -6.052 -10.087 2.032
66 HG12 ILE 10 HG12 ILE 10 -6.049 -10.698 -0.573
67 HG13 ILE 10 HG13 ILE 10 -4.550 -10.506 0.328
68 HG21 ILE 10 HG21 ILE 10 -4.728 -12.220 2.503
69 HG22 ILE 10 HG22 ILE 10 -6.212 -13.101 2.144
70 HG23 ILE 10 HG23 ILE 10 -6.167 -11.959 3.488
71 HD11 ILE 10 HD11 ILE 10 -5.000 -12.664 -1.178
72 HD12 ILE 10 HD12 ILE 10 -5.803 -13.221 0.288
73 HD13 ILE 10 HD13 ILE 10 -4.099 -12.773 0.334
74 HA PRO 11 HA PRO 11 -10.217 -8.060 0.001
75 HB2 PRO 11 HB2 PRO 11 -10.881 -6.543 2.194
76 HB3 PRO 11 HB3 PRO 11 -11.796 -7.958 1.640
77 HG2 PRO 11 HG2 PRO 11 -9.830 -7.727 3.855
78 HG3 PRO 11 HG3 PRO 11 -11.319 -8.676 3.758
79 HD2 PRO 11 HD2 PRO 11 -8.834 -9.756 3.439
80 HD3 PRO 11 HD3 PRO 11 -10.299 -10.425 2.689
81 HA PRO 12 HA PRO 12 -7.157 -4.678 1.396
82 HB2 PRO 12 HB2 PRO 12 -5.005 -5.369 2.920
83 HB3 PRO 12 HB3 PRO 12 -6.560 -4.883 3.616
84 HG2 PRO 12 HG2 PRO 12 -5.364 -7.571 3.374
85 HG3 PRO 12 HG3 PRO 12 -6.453 -6.923 4.607
86 HD2 PRO 12 HD2 PRO 12 -7.174 -8.593 2.492
87 HD3 PRO 12 HD3 PRO 12 -8.276 -7.645 3.503
88 H VAL 13 H VAL 13 -7.035 -6.157 -0.865
89 HA VAL 13 HA VAL 13 -4.511 -7.414 -1.461
90 HB VAL 13 HB VAL 13 -6.698 -7.731 -2.650
91 HG11 VAL 13 HG11 VAL 13 -6.066 -5.064 -3.947
92 HG12 VAL 13 HG12 VAL 13 -7.293 -5.285 -2.700
93 HG13 VAL 13 HG13 VAL 13 -7.465 -6.091 -4.258
94 HG21 VAL 13 HG21 VAL 13 -4.551 -8.392 -3.697
95 HG22 VAL 13 HG22 VAL 13 -4.420 -6.789 -4.419
96 HG23 VAL 13 HG23 VAL 13 -5.727 -7.869 -4.902
97 H VAL 14 H VAL 14 -5.684 -4.060 -1.939
98 HA VAL 14 HA VAL 14 -3.356 -3.130 -3.377
99 HB VAL 14 HB VAL 14 -5.480 -1.774 -1.676
100 HG11 VAL 14 HG11 VAL 14 -3.304 -0.579 -3.415
101 HG12 VAL 14 HG12 VAL 14 -3.577 -0.290 -1.697
102 HG13 VAL 14 HG13 VAL 14 -4.728 0.318 -2.888
103 HG21 VAL 14 HG21 VAL 14 -6.313 -2.847 -3.720
104 HG22 VAL 14 HG22 VAL 14 -5.071 -2.038 -4.674
105 HG23 VAL 14 HG23 VAL 14 -6.352 -1.095 -3.910
106 H ALA 15 H ALA 15 -4.300 -3.021 0.068
107 HA ALA 15 HA ALA 15 -1.943 -1.718 1.060
108 HB1 ALA 15 HB1 ALA 15 -4.244 -2.153 2.144
109 HB2 ALA 15 HB2 ALA 15 -2.835 -2.356 3.186
110 HB3 ALA 15 HB3 ALA 15 -3.639 -3.770 2.505
111 H LEU 16 H LEU 16 -2.739 -5.127 0.440
112 HA LEU 16 HA LEU 16 -0.462 -6.314 1.723
113 HB2 LEU 16 HB2 LEU 16 -2.735 -7.065 0.164
114 HB3 LEU 16 HB3 LEU 16 -1.322 -7.793 -0.591
115 HG LEU 16 HG LEU 16 -2.200 -9.322 1.089
116 HD11 LEU 16 HD11 LEU 16 0.178 -8.117 2.467
117 HD12 LEU 16 HD12 LEU 16 0.368 -8.758 0.836
118 HD13 LEU 16 HD13 LEU 16 -0.181 -9.812 2.139
119 HD21 LEU 16 HD21 LEU 16 -2.496 -8.702 3.393
120 HD22 LEU 16 HD22 LEU 16 -3.303 -7.464 2.432
121 HD23 LEU 16 HD23 LEU 16 -1.720 -7.140 3.136
122 H VAL 17 H VAL 17 -0.992 -5.154 -1.618
123 HA VAL 17 HA VAL 17 1.540 -6.028 -2.681
124 HB VAL 17 HB VAL 17 -0.500 -3.913 -3.420
125 HG11 VAL 17 HG11 VAL 17 0.806 -4.136 -5.712
126 HG12 VAL 17 HG12 VAL 17 2.159 -4.547 -4.659
127 HG13 VAL 17 HG13 VAL 17 1.349 -2.990 -4.487
128 HG21 VAL 17 HG21 VAL 17 -1.187 -5.493 -5.079
129 HG22 VAL 17 HG22 VAL 17 -0.978 -6.422 -3.594
130 HG23 VAL 17 HG23 VAL 17 0.262 -6.472 -4.846
131 H VAL 18 H VAL 18 0.539 -3.118 -0.919
132 HA VAL 18 HA VAL 18 3.086 -1.721 -1.413
133 HB VAL 18 HB VAL 18 0.672 -1.194 0.360
134 HG11 VAL 18 HG11 VAL 18 3.094 0.523 -0.262
135 HG12 VAL 18 HG12 VAL 18 2.574 -0.046 1.325
136 HG13 VAL 18 HG13 VAL 18 1.608 1.147 0.456
137 HG21 VAL 18 HG21 VAL 18 -0.084 -0.900 -1.827
138 HG22 VAL 18 HG22 VAL 18 1.502 -0.406 -2.417
139 HG23 VAL 18 HG23 VAL 18 0.527 0.715 -1.466
140 H MET 19 H MET 19 1.456 -3.315 1.347
141 HA MET 19 HA MET 19 3.456 -2.863 3.326
142 HB2 MET 19 HB2 MET 19 1.061 -3.736 3.529
143 HB3 MET 19 HB3 MET 19 1.691 -5.310 3.043
144 HG2 MET 19 HG2 MET 19 1.745 -5.388 5.404
145 HG3 MET 19 HG3 MET 19 3.406 -4.991 4.959
146 HE1 MET 19 HE1 MET 19 3.838 -4.241 7.337
147 HE2 MET 19 HE2 MET 19 2.177 -4.517 7.854
148 HE3 MET 19 HE3 MET 19 2.959 -2.980 8.212
149 H SER 20 H SER 20 3.113 -5.506 0.937
150 HA SER 20 HA SER 20 5.249 -7.159 1.896
151 HB2 SER 20 HB2 SER 20 5.176 -7.944 -0.555
152 HB3 SER 20 HB3 SER 20 3.668 -8.047 0.348
153 HG SER 20 HG SER 20 2.834 -6.567 -0.902
154 H ARG 21 H ARG 21 5.219 -4.545 -0.552
155 HA ARG 21 HA ARG 21 7.970 -4.717 -1.322
156 HB2 ARG 21 HB2 ARG 21 5.660 -3.052 -1.735
157 HB3 ARG 21 HB3 ARG 21 7.052 -2.016 -1.417
158 HG2 ARG 21 HG2 ARG 21 8.317 -3.038 -3.196
159 HG3 ARG 21 HG3 ARG 21 7.091 -4.287 -3.421
160 HD2 ARG 21 HD2 ARG 21 6.213 -1.432 -3.659
161 HD3 ARG 21 HD3 ARG 21 7.139 -2.135 -5.000
162 HE ARG 21 HE ARG 21 4.994 -3.874 -4.016
163 HH11 ARG 21 HH11 ARG 21 5.939 -3.899 -6.841
164 HH12 ARG 21 HH12 ARG 21 4.665 -3.072 -7.671
165 HH21 ARG 21 HH21 ARG 21 3.325 -1.688 -4.778
166 HH22 ARG 21 HH22 ARG 21 3.178 -1.813 -6.498
167 H PHE 22 H PHE 22 6.361 -2.935 1.316
168 HA PHE 22 HA PHE 22 8.616 -1.384 2.176
169 HB2 PHE 22 HB2 PHE 22 5.993 -2.316 3.256
170 HB3 PHE 22 HB3 PHE 22 7.166 -1.723 4.430
171 HD1 PHE 22 HD1 PHE 22 6.004 -0.756 0.981
172 HD2 PHE 22 HD2 PHE 22 6.977 0.530 4.963
173 HE1 PHE 22 HE1 PHE 22 5.447 1.578 0.363
174 HE2 PHE 22 HE2 PHE 22 6.419 2.864 4.343
175 HZ PHE 22 HZ PHE 22 5.655 3.389 2.044
176 H GLY 23 H GLY 23 7.413 -4.587 3.244
177 HA2 GLY 23 HA2 GLY 23 9.497 -5.006 5.195
178 HA3 GLY 23 HA3 GLY 23 8.450 -6.260 4.529
179 H PHE 24 H PHE 24 9.072 -6.144 1.824
180 HA PHE 24 HA PHE 24 11.452 -7.687 1.611
181 HB2 PHE 24 HB2 PHE 24 9.391 -6.567 -0.074
182 HB3 PHE 24 HB3 PHE 24 10.958 -6.363 -0.856
183 HD1 PHE 24 HD1 PHE 24 8.677 -8.864 0.693
184 HD2 PHE 24 HD2 PHE 24 12.155 -8.225 -1.747
185 HE1 PHE 24 HE1 PHE 24 8.688 -11.266 0.079
186 HE2 PHE 24 HE2 PHE 24 12.166 -10.628 -2.360
187 HZ PHE 24 HZ PHE 24 10.433 -12.149 -1.446
188 H PHE 25 H PHE 25 10.929 -4.189 1.056
189 HA PHE 25 HA PHE 25 13.559 -3.553 0.125
190 HB2 PHE 25 HB2 PHE 25 11.144 -2.255 0.674
191 HB3 PHE 25 HB3 PHE 25 12.289 -1.503 1.781
192 HD1 PHE 25 HD1 PHE 25 14.810 -1.487 0.368
193 HD2 PHE 25 HD2 PHE 25 10.847 -0.859 -1.171
194 HE1 PHE 25 HE1 PHE 25 15.747 -0.161 -1.506
195 HE2 PHE 25 HE2 PHE 25 11.785 0.468 -3.044
196 HZ PHE 25 HZ PHE 25 14.235 0.817 -3.211
197 H ALA 26 H ALA 26 12.244 -3.911 3.407
198 HA ALA 26 HA ALA 26 14.705 -2.930 4.694
199 HB1 ALA 26 HB1 ALA 26 13.428 -3.467 6.738
200 HB2 ALA 26 HB2 ALA 26 12.222 -4.311 5.768
201 HB3 ALA 26 HB3 ALA 26 12.423 -2.567 5.603
202 H HIS 27 H HIS 27 13.220 -6.044 3.881
203 HA HIS 27 HA HIS 27 15.029 -7.649 5.511
204 HB2 HIS 27 HB2 HIS 27 12.624 -8.090 4.525
205 HB3 HIS 27 HB3 HIS 27 13.517 -8.640 3.106
206 HD1 HIS 27 HD1 HIS 27 12.551 -9.637 6.529
207 HD2 HIS 27 HD2 HIS 27 15.316 -10.881 3.669
208 HE1 HIS 27 HE1 HIS 27 13.358 -11.924 7.260
209 H LEU 28 H LEU 28 14.837 -6.820 2.027
210 HA LEU 28 HA LEU 28 17.231 -8.357 1.348
211 HB2 LEU 28 HB2 LEU 28 15.086 -6.925 0.047
212 HB3 LEU 28 HB3 LEU 28 16.630 -6.413 -0.634
213 HG LEU 28 HG LEU 28 17.167 -8.974 -0.690
214 HD11 LEU 28 HD11 LEU 28 15.221 -10.409 -0.909
215 HD12 LEU 28 HD12 LEU 28 14.134 -9.032 -0.739
216 HD13 LEU 28 HD13 LEU 28 15.109 -9.561 0.633
217 HD21 LEU 28 HD21 LEU 28 15.155 -7.666 -2.551
218 HD22 LEU 28 HD22 LEU 28 16.054 -9.137 -2.925
219 HD23 LEU 28 HD23 LEU 28 16.912 -7.612 -2.702
220 H LEU 29 H LEU 29 16.502 -4.852 1.682
221 HA LEU 29 HA LEU 29 19.457 -4.344 1.741
222 HB2 LEU 29 HB2 LEU 29 17.050 -2.874 0.725
223 HB3 LEU 29 HB3 LEU 29 18.447 -1.933 1.247
224 HG LEU 29 HG LEU 29 18.772 -4.270 -0.633
225 HD11 LEU 29 HD11 LEU 29 18.325 -1.390 -1.463
226 HD12 LEU 29 HD12 LEU 29 17.082 -2.638 -1.551
227 HD13 LEU 29 HD13 LEU 29 18.546 -2.782 -2.523
228 HD21 LEU 29 HD21 LEU 29 20.831 -3.465 0.288
229 HD22 LEU 29 HD22 LEU 29 20.353 -1.783 0.067
230 HD23 LEU 29 HD23 LEU 29 20.732 -2.783 -1.335
231 HA PRO 30 HA PRO 30 18.792 -3.282 6.001
232 HB2 PRO 30 HB2 PRO 30 21.260 -2.198 6.477
233 HB3 PRO 30 HB3 PRO 30 20.977 -3.947 6.361
234 HG2 PRO 30 HG2 PRO 30 22.096 -2.074 4.341
235 HG3 PRO 30 HG3 PRO 30 22.554 -3.743 4.709
236 HD2 PRO 30 HD2 PRO 30 21.009 -3.025 2.570
237 HD3 PRO 30 HD3 PRO 30 20.939 -4.620 3.351
238 H ARG 31 H ARG 31 17.308 -1.570 6.019
239 HA ARG 31 HA ARG 31 18.395 1.159 6.174
240 HB2 ARG 31 HB2 ARG 31 16.943 1.981 4.322
241 HB3 ARG 31 HB3 ARG 31 18.137 0.816 3.754
242 HG2 ARG 31 HG2 ARG 31 16.363 -0.234 2.799
243 HG3 ARG 31 HG3 ARG 31 16.033 -0.825 4.428
244 HD2 ARG 31 HD2 ARG 31 14.251 0.605 4.728
245 HD3 ARG 31 HD3 ARG 31 14.989 1.893 3.754
246 HE ARG 31 HE ARG 31 13.985 -0.609 2.453
247 HH11 ARG 31 HH11 ARG 31 15.304 1.927 1.168
248 HH12 ARG 31 HH12 ARG 31 13.907 2.650 0.445
249 HH21 ARG 31 HH21 ARG 31 11.652 0.698 2.233
250 HH22 ARG 31 HH22 ARG 31 11.831 1.950 1.049
Start of MODEL 6
1 HA ASP 1 HA ASP 1 -16.479 15.189 1.670
2 HB2 ASP 1 HB2 ASP 1 -14.055 15.241 3.487
3 HB3 ASP 1 HB3 ASP 1 -14.251 14.031 2.219
4 H THR 2 H THR 2 -17.354 13.121 1.816
5 HA THR 2 HA THR 2 -17.574 11.902 4.553
6 HB THR 2 HB THR 2 -19.659 11.708 2.366
7 HG1 THR 2 HG1 THR 2 -20.422 13.603 2.912
8 HG21 THR 2 HG21 THR 2 -19.818 10.132 4.250
9 HG22 THR 2 HG22 THR 2 -21.146 11.292 4.294
10 HG23 THR 2 HG23 THR 2 -19.775 11.479 5.387
11 H GLU 3 H GLU 3 -15.449 11.007 3.249
12 HA GLU 3 HA GLU 3 -16.190 8.268 2.422
13 HB2 GLU 3 HB2 GLU 3 -16.190 10.039 0.457
14 HB3 GLU 3 HB3 GLU 3 -14.439 9.858 0.562
15 HG2 GLU 3 HG2 GLU 3 -15.121 8.236 -1.036
16 HG3 GLU 3 HG3 GLU 3 -14.859 7.322 0.450
17 H ILE 4 H ILE 4 -14.958 8.183 4.587
18 HA ILE 4 HA ILE 4 -12.222 7.336 4.118
19 HB ILE 4 HB ILE 4 -12.132 9.881 4.080
20 HG12 ILE 4 HG12 ILE 4 -10.542 9.124 6.460
21 HG13 ILE 4 HG13 ILE 4 -10.355 8.056 5.069
22 HG21 ILE 4 HG21 ILE 4 -12.469 11.122 6.082
23 HG22 ILE 4 HG22 ILE 4 -12.554 9.662 7.066
24 HG23 ILE 4 HG23 ILE 4 -13.870 10.058 5.962
25 HD11 ILE 4 HD11 ILE 4 -8.720 9.728 4.724
26 HD12 ILE 4 HD12 ILE 4 -9.805 11.017 5.247
27 HD13 ILE 4 HD13 ILE 4 -10.060 10.227 3.691
28 H ILE 5 H ILE 5 -11.454 6.109 5.889
29 HA ILE 5 HA ILE 5 -11.541 4.904 7.908
30 HB ILE 5 HB ILE 5 -13.300 7.231 8.769
31 HG12 ILE 5 HG12 ILE 5 -10.347 7.063 9.291
32 HG13 ILE 5 HG13 ILE 5 -10.902 7.648 7.724
33 HG21 ILE 5 HG21 ILE 5 -13.405 5.573 10.456
34 HG22 ILE 5 HG22 ILE 5 -12.131 6.665 10.999
35 HG23 ILE 5 HG23 ILE 5 -11.712 5.128 10.241
36 HD11 ILE 5 HD11 ILE 5 -12.458 9.209 9.088
37 HD12 ILE 5 HD12 ILE 5 -10.742 9.610 9.025
38 HD13 ILE 5 HD13 ILE 5 -11.412 8.822 10.453
39 H GLY 6 H GLY 6 -13.082 3.624 9.273
40 HA2 GLY 6 HA2 GLY 6 -15.609 3.192 9.571
41 HA3 GLY 6 HA3 GLY 6 -15.647 3.151 7.809
42 H GLY 7 H GLY 7 -13.027 1.771 7.620
43 HA2 GLY 7 HA2 GLY 7 -12.089 -0.400 8.211
44 HA3 GLY 7 HA3 GLY 7 -13.666 -0.868 8.849
45 H LEU 8 H LEU 8 -15.345 -0.143 6.752
46 HA LEU 8 HA LEU 8 -14.561 -2.144 4.685
47 HB2 LEU 8 HB2 LEU 8 -17.112 -0.938 5.737
48 HB3 LEU 8 HB3 LEU 8 -17.107 -1.734 4.163
49 HG LEU 8 HG LEU 8 -15.874 -3.126 6.523
50 HD11 LEU 8 HD11 LEU 8 -18.043 -2.507 7.381
51 HD12 LEU 8 HD12 LEU 8 -18.131 -4.199 6.892
52 HD13 LEU 8 HD13 LEU 8 -18.826 -2.947 5.863
53 HD21 LEU 8 HD21 LEU 8 -15.682 -3.968 4.149
54 HD22 LEU 8 HD22 LEU 8 -17.436 -4.157 4.134
55 HD23 LEU 8 HD23 LEU 8 -16.457 -5.106 5.253
56 H THR 9 H THR 9 -13.493 0.682 4.713
57 HA THR 9 HA THR 9 -14.517 1.510 2.016
58 HB THR 9 HB THR 9 -13.903 3.879 2.971
59 HG1 THR 9 HG1 THR 9 -14.164 3.965 5.226
60 HG21 THR 9 HG21 THR 9 -16.212 2.840 2.471
61 HG22 THR 9 HG22 THR 9 -16.159 4.203 3.589
62 HG23 THR 9 HG23 THR 9 -16.315 2.559 4.208
63 H ILE 10 H ILE 10 -12.185 -0.160 2.702
64 HA ILE 10 HA ILE 10 -10.069 1.525 1.450
65 HB ILE 10 HB ILE 10 -8.468 0.466 3.161
66 HG12 ILE 10 HG12 ILE 10 -10.873 0.164 4.932
67 HG13 ILE 10 HG13 ILE 10 -10.460 -1.158 3.841
68 HG21 ILE 10 HG21 ILE 10 -10.509 2.236 4.491
69 HG22 ILE 10 HG22 ILE 10 -9.517 2.848 3.168
70 HG23 ILE 10 HG23 ILE 10 -8.752 2.262 4.646
71 HD11 ILE 10 HD11 ILE 10 -8.728 0.058 6.004
72 HD12 ILE 10 HD12 ILE 10 -8.095 -1.027 4.766
73 HD13 ILE 10 HD13 ILE 10 -9.317 -1.602 5.900
74 HA PRO 11 HA PRO 11 -9.607 -2.229 -0.847
75 HB2 PRO 11 HB2 PRO 11 -7.240 -1.659 -2.090
76 HB3 PRO 11 HB3 PRO 11 -8.780 -0.911 -2.556
77 HG2 PRO 11 HG2 PRO 11 -6.548 0.201 -0.948
78 HG3 PRO 11 HG3 PRO 11 -7.626 1.006 -2.097
79 HD2 PRO 11 HD2 PRO 11 -7.867 1.153 0.643
80 HD3 PRO 11 HD3 PRO 11 -9.190 1.445 -0.507
81 HA PRO 12 HA PRO 12 -6.920 -4.297 2.136
82 HB2 PRO 12 HB2 PRO 12 -7.771 -6.834 1.547
83 HB3 PRO 12 HB3 PRO 12 -8.677 -5.727 2.598
84 HG2 PRO 12 HG2 PRO 12 -9.131 -6.419 -0.259
85 HG3 PRO 12 HG3 PRO 12 -10.305 -6.132 1.034
86 HD2 PRO 12 HD2 PRO 12 -9.688 -4.289 -0.883
87 HD3 PRO 12 HD3 PRO 12 -10.269 -3.865 0.742
88 H VAL 13 H VAL 13 -7.382 -5.376 -1.244
89 HA VAL 13 HA VAL 13 -4.967 -6.915 -1.455
90 HB VAL 13 HB VAL 13 -5.374 -6.655 -3.900
91 HG11 VAL 13 HG11 VAL 13 -7.474 -7.797 -3.936
92 HG12 VAL 13 HG12 VAL 13 -7.998 -7.026 -2.439
93 HG13 VAL 13 HG13 VAL 13 -6.710 -8.230 -2.407
94 HG21 VAL 13 HG21 VAL 13 -7.455 -4.650 -2.965
95 HG22 VAL 13 HG22 VAL 13 -7.392 -5.320 -4.593
96 HG23 VAL 13 HG23 VAL 13 -6.063 -4.326 -3.998
97 H VAL 14 H VAL 14 -5.627 -3.449 -1.961
98 HA VAL 14 HA VAL 14 -3.076 -2.777 -3.129
99 HB VAL 14 HB VAL 14 -5.153 -1.216 -1.550
100 HG11 VAL 14 HG11 VAL 14 -4.044 0.793 -2.632
101 HG12 VAL 14 HG12 VAL 14 -2.701 -0.267 -3.060
102 HG13 VAL 14 HG13 VAL 14 -3.094 0.020 -1.364
103 HG21 VAL 14 HG21 VAL 14 -5.877 -2.170 -3.732
104 HG22 VAL 14 HG22 VAL 14 -4.530 -1.347 -4.521
105 HG23 VAL 14 HG23 VAL 14 -5.822 -0.408 -3.773
106 H ALA 15 H ALA 15 -4.282 -2.791 0.234
107 HA ALA 15 HA ALA 15 -1.903 -1.738 1.462
108 HB1 ALA 15 HB1 ALA 15 -3.988 -1.716 2.638
109 HB2 ALA 15 HB2 ALA 15 -2.979 -2.880 3.496
110 HB3 ALA 15 HB3 ALA 15 -4.227 -3.445 2.387
111 H LEU 16 H LEU 16 -2.894 -5.032 0.562
112 HA LEU 16 HA LEU 16 -0.755 -6.387 1.990
113 HB2 LEU 16 HB2 LEU 16 -3.090 -7.154 0.966
114 HB3 LEU 16 HB3 LEU 16 -2.095 -7.505 -0.449
115 HG LEU 16 HG LEU 16 -0.528 -8.726 1.232
116 HD11 LEU 16 HD11 LEU 16 -1.658 -9.591 3.226
117 HD12 LEU 16 HD12 LEU 16 -3.125 -8.710 2.801
118 HD13 LEU 16 HD13 LEU 16 -1.668 -7.827 3.256
119 HD21 LEU 16 HD21 LEU 16 -1.780 -9.947 -0.439
120 HD22 LEU 16 HD22 LEU 16 -3.278 -9.751 0.470
121 HD23 LEU 16 HD23 LEU 16 -1.994 -10.781 1.101
122 H VAL 17 H VAL 17 -1.162 -5.223 -1.367
123 HA VAL 17 HA VAL 17 1.228 -6.379 -2.459
124 HB VAL 17 HB VAL 17 -0.458 -3.948 -3.124
125 HG11 VAL 17 HG11 VAL 17 0.761 -4.270 -5.424
126 HG12 VAL 17 HG12 VAL 17 2.021 -5.026 -4.449
127 HG13 VAL 17 HG13 VAL 17 1.564 -3.349 -4.152
128 HG21 VAL 17 HG21 VAL 17 -0.168 -6.436 -4.783
129 HG22 VAL 17 HG22 VAL 17 -1.545 -5.341 -4.647
130 HG23 VAL 17 HG23 VAL 17 -1.189 -6.478 -3.346
131 H VAL 18 H VAL 18 0.652 -3.392 -0.633
132 HA VAL 18 HA VAL 18 3.339 -2.320 -1.089
133 HB VAL 18 HB VAL 18 1.093 -1.656 0.850
134 HG11 VAL 18 HG11 VAL 18 3.818 -0.502 0.443
135 HG12 VAL 18 HG12 VAL 18 2.849 -0.604 1.914
136 HG13 VAL 18 HG13 VAL 18 2.489 0.628 0.705
137 HG21 VAL 18 HG21 VAL 18 0.644 -1.356 -1.611
138 HG22 VAL 18 HG22 VAL 18 2.004 -0.236 -1.673
139 HG23 VAL 18 HG23 VAL 18 0.588 0.149 -0.694
140 H MET 19 H MET 19 1.712 -4.247 1.409
141 HA MET 19 HA MET 19 3.709 -4.073 3.457
142 HB2 MET 19 HB2 MET 19 1.229 -5.058 3.276
143 HB3 MET 19 HB3 MET 19 2.109 -6.564 3.017
144 HG2 MET 19 HG2 MET 19 1.870 -6.504 5.352
145 HG3 MET 19 HG3 MET 19 3.488 -5.843 5.110
146 HE1 MET 19 HE1 MET 19 -0.197 -4.099 4.647
147 HE2 MET 19 HE2 MET 19 -0.363 -3.786 6.373
148 HE3 MET 19 HE3 MET 19 -0.093 -5.433 5.805
149 H SER 20 H SER 20 3.248 -6.483 0.830
150 HA SER 20 HA SER 20 5.441 -8.184 1.522
151 HB2 SER 20 HB2 SER 20 5.236 -8.806 -0.945
152 HB3 SER 20 HB3 SER 20 3.743 -8.904 -0.019
153 HG SER 20 HG SER 20 2.950 -7.454 -1.306
154 H ARG 21 H ARG 21 5.289 -5.469 -0.826
155 HA ARG 21 HA ARG 21 8.060 -5.542 -1.581
156 HB2 ARG 21 HB2 ARG 21 5.711 -3.749 -1.804
157 HB3 ARG 21 HB3 ARG 21 7.272 -2.933 -1.904
158 HG2 ARG 21 HG2 ARG 21 6.959 -3.515 -4.130
159 HG3 ARG 21 HG3 ARG 21 7.854 -4.919 -3.550
160 HD2 ARG 21 HD2 ARG 21 6.102 -6.095 -4.460
161 HD3 ARG 21 HD3 ARG 21 5.268 -5.650 -2.960
162 HE ARG 21 HE ARG 21 4.254 -3.760 -4.139
163 HH11 ARG 21 HH11 ARG 21 3.409 -5.972 -5.903
164 HH12 ARG 21 HH12 ARG 21 3.923 -5.441 -7.469
165 HH21 ARG 21 HH21 ARG 21 6.103 -3.037 -6.225
166 HH22 ARG 21 HH22 ARG 21 5.452 -3.771 -7.651
167 H PHE 22 H PHE 22 6.316 -3.766 0.975
168 HA PHE 22 HA PHE 22 8.492 -2.167 1.926
169 HB2 PHE 22 HB2 PHE 22 6.238 -1.667 2.558
170 HB3 PHE 22 HB3 PHE 22 5.961 -3.309 3.137
171 HD1 PHE 22 HD1 PHE 22 8.159 -0.333 3.761
172 HD2 PHE 22 HD2 PHE 22 6.204 -3.783 5.413
173 HE1 PHE 22 HE2 PHE 22 8.891 0.339 6.034
174 HE2 PHE 22 HE1 PHE 22 6.935 -3.110 7.685
175 HZ PHE 22 HZ PHE 22 8.278 -1.050 7.996
176 H GLY 23 H GLY 23 7.330 -5.410 2.926
177 HA2 GLY 23 HA2 GLY 23 9.153 -5.857 5.051
178 HA3 GLY 23 HA3 GLY 23 8.423 -7.135 4.081
179 H PHE 24 H PHE 24 9.518 -6.437 1.549
180 HA PHE 24 HA PHE 24 12.167 -7.615 1.773
181 HB2 PHE 24 HB2 PHE 24 10.165 -7.129 -0.198
182 HB3 PHE 24 HB3 PHE 24 11.654 -6.384 -0.780
183 HD1 PHE 24 HD1 PHE 24 13.807 -7.791 -0.730
184 HD2 PHE 24 HD2 PHE 24 9.877 -9.470 -0.292
185 HE1 PHE 24 HE1 PHE 24 14.697 -10.029 -1.322
186 HE2 PHE 24 HE2 PHE 24 10.767 -11.707 -0.884
187 HZ PHE 24 HZ PHE 24 13.176 -11.987 -1.398
188 H PHE 25 H PHE 25 10.968 -4.360 0.848
189 HA PHE 25 HA PHE 25 13.493 -3.131 0.375
190 HB2 PHE 25 HB2 PHE 25 10.698 -2.351 0.927
191 HB3 PHE 25 HB3 PHE 25 11.889 -1.131 1.374
192 HD1 PHE 25 HD1 PHE 25 13.724 -0.575 -0.388
193 HD2 PHE 25 HD2 PHE 25 10.038 -2.577 -1.318
194 HE1 PHE 25 HE2 PHE 25 13.990 0.043 -2.774
195 HE2 PHE 25 HE1 PHE 25 10.304 -1.958 -3.704
196 HZ PHE 25 HZ PHE 25 12.280 -0.648 -4.432
197 H ALA 26 H ALA 26 11.738 -3.728 3.405
198 HA ALA 26 HA ALA 26 13.164 -2.037 5.177
199 HB1 ALA 26 HB1 ALA 26 11.151 -3.291 5.768
200 HB2 ALA 26 HB2 ALA 26 12.451 -3.747 6.869
201 HB3 ALA 26 HB3 ALA 26 12.002 -4.819 5.542
202 H HIS 27 H HIS 27 14.022 -5.271 3.930
203 HA HIS 27 HA HIS 27 16.678 -5.036 5.310
204 HB2 HIS 27 HB2 HIS 27 14.715 -7.034 5.314
205 HB3 HIS 27 HB3 HIS 27 15.956 -7.651 4.225
206 HD1 HIS 27 HD1 HIS 27 16.114 -5.735 7.534
207 HD2 HIS 27 HD2 HIS 27 17.724 -9.130 5.729
208 HE1 HIS 27 HE1 HIS 27 17.715 -6.750 9.215
209 H LEU 28 H LEU 28 15.881 -3.849 2.648
210 HA LEU 28 HA LEU 28 18.099 -5.034 1.053
211 HB2 LEU 28 HB2 LEU 28 15.773 -6.053 0.552
212 HB3 LEU 28 HB3 LEU 28 15.379 -4.486 -0.153
213 HG LEU 28 HG LEU 28 17.649 -4.820 -1.448
214 HD11 LEU 28 HD11 LEU 28 18.394 -6.824 -0.308
215 HD12 LEU 28 HD12 LEU 28 17.978 -7.266 -1.964
216 HD13 LEU 28 HD13 LEU 28 16.867 -7.638 -0.647
217 HD21 LEU 28 HD21 LEU 28 15.477 -4.686 -2.551
218 HD22 LEU 28 HD22 LEU 28 15.096 -6.340 -2.071
219 HD23 LEU 28 HD23 LEU 28 16.383 -6.035 -3.238
220 H LEU 29 H LEU 29 15.501 -2.554 0.989
221 HA LEU 29 HA LEU 29 15.581 -0.246 0.541
222 HB2 LEU 29 HB2 LEU 29 18.101 -1.014 1.736
223 HB3 LEU 29 HB3 LEU 29 18.366 0.278 0.566
224 HG LEU 29 HG LEU 29 16.235 1.335 1.733
225 HD11 LEU 29 HD11 LEU 29 16.284 0.816 4.187
226 HD12 LEU 29 HD12 LEU 29 17.384 -0.519 3.841
227 HD13 LEU 29 HD13 LEU 29 15.741 -0.540 3.200
228 HD21 LEU 29 HD21 LEU 29 18.925 1.313 3.134
229 HD22 LEU 29 HD22 LEU 29 17.729 2.609 3.157
230 HD23 LEU 29 HD23 LEU 29 18.591 2.231 1.665
231 HA PRO 30 HA PRO 30 16.473 0.048 -3.753
232 HB2 PRO 30 HB2 PRO 30 16.605 2.759 -4.090
233 HB3 PRO 30 HB3 PRO 30 15.082 1.897 -3.795
234 HG2 PRO 30 HG2 PRO 30 16.749 3.487 -1.923
235 HG3 PRO 30 HG3 PRO 30 14.989 3.328 -2.014
236 HD2 PRO 30 HD2 PRO 30 16.581 2.032 -0.182
237 HD3 PRO 30 HD3 PRO 30 14.967 1.484 -0.682
238 H ARG 31 H ARG 31 18.495 -0.576 -4.468
239 HA ARG 31 HA ARG 31 20.718 1.376 -4.377
240 HB2 ARG 31 HB2 ARG 31 20.401 -0.570 -2.387
241 HB3 ARG 31 HB3 ARG 31 21.616 -1.251 -3.468
242 HG2 ARG 31 HG2 ARG 31 21.757 1.584 -2.416
243 HG3 ARG 31 HG3 ARG 31 22.531 0.222 -1.608
244 HD2 ARG 31 HD2 ARG 31 23.037 0.768 -4.540
245 HD3 ARG 31 HD3 ARG 31 23.986 1.572 -3.276
246 HE ARG 31 HE ARG 31 23.783 -1.408 -3.545
247 HH11 ARG 31 HH11 ARG 31 26.263 -0.150 -4.558
248 HH12 ARG 31 HH12 ARG 31 27.319 -0.215 -3.187
249 HH21 ARG 31 HH21 ARG 31 24.755 -0.789 -0.912
250 HH22 ARG 31 HH22 ARG 31 26.462 -0.581 -1.114
Start of MODEL 7
1 HA ASP 1 HA ASP 1 -24.848 7.811 10.137
2 HB2 ASP 1 HB2 ASP 1 -25.968 5.562 8.430
3 HB3 ASP 1 HB3 ASP 1 -24.400 5.492 9.233
4 H THR 2 H THR 2 -22.961 8.479 9.134
5 HA THR 2 HA THR 2 -23.010 9.581 6.470
6 HB THR 2 HB THR 2 -20.487 9.700 6.933
7 HG1 THR 2 HG1 THR 2 -20.308 7.938 8.296
8 HG21 THR 2 HG21 THR 2 -22.204 11.454 7.567
9 HG22 THR 2 HG22 THR 2 -20.747 11.445 8.560
10 HG23 THR 2 HG23 THR 2 -22.238 10.731 9.175
11 H GLU 3 H GLU 3 -22.752 8.517 4.553
12 HA GLU 3 HA GLU 3 -22.264 6.818 2.999
13 HB2 GLU 3 HB2 GLU 3 -20.016 7.248 4.745
14 HB3 GLU 3 HB3 GLU 3 -20.085 5.539 4.316
15 HG2 GLU 3 HG2 GLU 3 -18.917 6.319 2.487
16 HG3 GLU 3 HG3 GLU 3 -20.560 6.556 1.888
17 H ILE 4 H ILE 4 -24.296 5.716 3.635
18 HA ILE 4 HA ILE 4 -24.152 3.517 5.590
19 HB ILE 4 HB ILE 4 -26.524 3.184 4.833
20 HG12 ILE 4 HG12 ILE 4 -26.565 5.700 3.301
21 HG13 ILE 4 HG13 ILE 4 -25.681 4.401 2.500
22 HG21 ILE 4 HG21 ILE 4 -25.984 6.111 5.346
23 HG22 ILE 4 HG22 ILE 4 -25.750 4.885 6.592
24 HG23 ILE 4 HG23 ILE 4 -27.350 5.140 5.895
25 HD11 ILE 4 HD11 ILE 4 -28.128 4.435 1.938
26 HD12 ILE 4 HD12 ILE 4 -28.478 4.102 3.634
27 HD13 ILE 4 HD13 ILE 4 -27.597 2.919 2.668
28 H ILE 5 H ILE 5 -22.202 2.901 3.845
29 HA ILE 5 HA ILE 5 -23.139 0.423 2.605
30 HB ILE 5 HB ILE 5 -23.747 2.197 0.955
31 HG12 ILE 5 HG12 ILE 5 -21.428 0.741 -0.264
32 HG13 ILE 5 HG13 ILE 5 -22.750 -0.207 0.417
33 HG21 ILE 5 HG21 ILE 5 -21.680 3.617 1.679
34 HG22 ILE 5 HG22 ILE 5 -22.168 3.638 -0.015
35 HG23 ILE 5 HG23 ILE 5 -20.805 2.644 0.497
36 HD11 ILE 5 HD11 ILE 5 -24.366 0.962 -0.995
37 HD12 ILE 5 HD12 ILE 5 -23.086 0.287 -2.004
38 HD13 ILE 5 HD13 ILE 5 -23.093 2.010 -1.625
39 H GLY 6 H GLY 6 -21.465 -1.041 2.695
40 HA2 GLY 6 HA2 GLY 6 -19.252 -1.870 2.751
41 HA3 GLY 6 HA3 GLY 6 -18.679 -0.250 2.351
42 H GLY 7 H GLY 7 -19.324 -2.485 4.929
43 HA2 GLY 7 HA2 GLY 7 -18.843 -0.437 7.015
44 HA3 GLY 7 HA3 GLY 7 -19.276 -2.123 7.304
45 H LEU 8 H LEU 8 -17.478 -3.682 6.309
46 HA LEU 8 HA LEU 8 -14.776 -2.581 7.001
47 HB2 LEU 8 HB2 LEU 8 -14.377 -4.744 8.186
48 HB3 LEU 8 HB3 LEU 8 -15.700 -3.828 8.899
49 HG LEU 8 HG LEU 8 -16.596 -5.622 6.758
50 HD11 LEU 8 HD11 LEU 8 -15.380 -6.822 9.266
51 HD12 LEU 8 HD12 LEU 8 -14.719 -6.982 7.638
52 HD13 LEU 8 HD13 LEU 8 -16.280 -7.702 8.030
53 HD21 LEU 8 HD21 LEU 8 -17.329 -5.427 9.698
54 HD22 LEU 8 HD22 LEU 8 -18.293 -6.169 8.422
55 HD23 LEU 8 HD23 LEU 8 -18.034 -4.425 8.430
56 H THR 9 H THR 9 -15.664 -2.780 4.348
57 HA THR 9 HA THR 9 -14.601 -5.335 3.258
58 HB THR 9 HB THR 9 -15.444 -4.217 1.099
59 HG1 THR 9 HG1 THR 9 -15.500 -2.104 1.701
60 HG21 THR 9 HG21 THR 9 -17.389 -4.652 3.382
61 HG22 THR 9 HG22 THR 9 -16.751 -5.904 2.316
62 HG23 THR 9 HG23 THR 9 -17.809 -4.650 1.669
63 H ILE 10 H ILE 10 -12.440 -4.315 4.292
64 HA ILE 10 HA ILE 10 -11.130 -2.275 2.642
65 HB ILE 10 HB ILE 10 -10.813 -2.637 5.117
66 HG12 ILE 10 HG12 ILE 10 -8.226 -2.997 3.586
67 HG13 ILE 10 HG13 ILE 10 -9.132 -1.484 3.584
68 HG21 ILE 10 HG21 ILE 10 -10.711 -5.223 4.732
69 HG22 ILE 10 HG22 ILE 10 -9.684 -4.507 5.973
70 HG23 ILE 10 HG23 ILE 10 -9.003 -4.935 4.404
71 HD11 ILE 10 HD11 ILE 10 -9.067 -1.724 6.183
72 HD12 ILE 10 HD12 ILE 10 -7.619 -1.164 5.347
73 HD13 ILE 10 HD13 ILE 10 -7.738 -2.841 5.879
74 HA PRO 11 HA PRO 11 -9.537 -5.191 -0.284
75 HB2 PRO 11 HB2 PRO 11 -7.740 -3.551 -1.529
76 HB3 PRO 11 HB3 PRO 11 -9.492 -3.429 -1.776
77 HG2 PRO 11 HG2 PRO 11 -7.686 -1.722 -0.174
78 HG3 PRO 11 HG3 PRO 11 -9.172 -1.303 -1.036
79 HD2 PRO 11 HD2 PRO 11 -8.935 -1.699 1.711
80 HD3 PRO 11 HD3 PRO 11 -10.454 -1.684 0.793
81 HA PRO 12 HA PRO 12 -5.942 -6.374 2.191
82 HB2 PRO 12 HB2 PRO 12 -5.851 -8.960 1.296
83 HB3 PRO 12 HB3 PRO 12 -6.966 -8.412 2.563
84 HG2 PRO 12 HG2 PRO 12 -7.480 -8.905 -0.327
85 HG3 PRO 12 HG3 PRO 12 -8.505 -9.243 1.077
86 HD2 PRO 12 HD2 PRO 12 -8.870 -7.105 -0.578
87 HD3 PRO 12 HD3 PRO 12 -9.352 -7.120 1.133
88 H VAL 13 H VAL 13 -6.381 -7.147 -1.274
89 HA VAL 13 HA VAL 13 -3.641 -7.654 -1.910
90 HB VAL 13 HB VAL 13 -5.614 -8.208 -3.317
91 HG11 VAL 13 HG11 VAL 13 -6.810 -6.023 -2.867
92 HG12 VAL 13 HG12 VAL 13 -6.796 -6.514 -4.560
93 HG13 VAL 13 HG13 VAL 13 -5.695 -5.257 -3.998
94 HG21 VAL 13 HG21 VAL 13 -4.048 -6.342 -5.038
95 HG22 VAL 13 HG22 VAL 13 -4.433 -8.045 -5.286
96 HG23 VAL 13 HG23 VAL 13 -3.146 -7.586 -4.171
97 H VAL 14 H VAL 14 -5.482 -4.599 -1.764
98 HA VAL 14 HA VAL 14 -3.451 -2.916 -2.927
99 HB VAL 14 HB VAL 14 -5.738 -2.427 -0.987
100 HG11 VAL 14 HG11 VAL 14 -5.497 -0.023 -1.775
101 HG12 VAL 14 HG12 VAL 14 -3.928 -0.479 -2.440
102 HG13 VAL 14 HG13 VAL 14 -4.215 -0.587 -0.702
103 HG21 VAL 14 HG21 VAL 14 -6.858 -1.554 -3.017
104 HG22 VAL 14 HG22 VAL 14 -6.387 -3.240 -3.226
105 HG23 VAL 14 HG23 VAL 14 -5.432 -1.959 -3.972
106 H ALA 15 H ALA 15 -4.273 -3.675 0.478
107 HA ALA 15 HA ALA 15 -2.154 -2.135 1.672
108 HB1 ALA 15 HB1 ALA 15 -2.710 -3.619 3.639
109 HB2 ALA 15 HB2 ALA 15 -3.752 -4.557 2.568
110 HB3 ALA 15 HB3 ALA 15 -4.123 -2.864 2.900
111 H LEU 16 H LEU 16 -2.341 -5.468 0.460
112 HA LEU 16 HA LEU 16 0.150 -6.416 1.549
113 HB2 LEU 16 HB2 LEU 16 -1.939 -7.591 0.456
114 HB3 LEU 16 HB3 LEU 16 -1.065 -7.342 -1.051
115 HG LEU 16 HG LEU 16 -0.676 -9.584 0.077
116 HD11 LEU 16 HD11 LEU 16 1.589 -9.664 -0.586
117 HD12 LEU 16 HD12 LEU 16 1.870 -7.983 -0.134
118 HD13 LEU 16 HD13 LEU 16 0.901 -8.363 -1.557
119 HD21 LEU 16 HD21 LEU 16 1.049 -7.982 1.979
120 HD22 LEU 16 HD22 LEU 16 0.676 -9.703 2.044
121 HD23 LEU 16 HD23 LEU 16 -0.578 -8.516 2.401
122 H VAL 17 H VAL 17 -0.698 -5.028 -1.648
123 HA VAL 17 HA VAL 17 1.932 -5.213 -2.789
124 HB VAL 17 HB VAL 17 -0.517 -3.504 -3.309
125 HG11 VAL 17 HG11 VAL 17 1.354 -2.237 -4.180
126 HG12 VAL 17 HG12 VAL 17 0.561 -3.031 -5.540
127 HG13 VAL 17 HG13 VAL 17 2.065 -3.685 -4.891
128 HG21 VAL 17 HG21 VAL 17 -0.271 -6.121 -3.691
129 HG22 VAL 17 HG22 VAL 17 0.591 -5.606 -5.140
130 HG23 VAL 17 HG23 VAL 17 -1.084 -5.113 -4.887
131 H VAL 18 H VAL 18 0.611 -2.981 -0.449
132 HA VAL 18 HA VAL 18 2.782 -1.000 -0.971
133 HB VAL 18 HB VAL 18 0.272 -1.006 0.738
134 HG11 VAL 18 HG11 VAL 18 0.768 1.392 1.131
135 HG12 VAL 18 HG12 VAL 18 2.312 1.199 0.302
136 HG13 VAL 18 HG13 VAL 18 2.014 0.352 1.819
137 HG21 VAL 18 HG21 VAL 18 0.525 -0.663 -1.965
138 HG22 VAL 18 HG22 VAL 18 0.700 0.997 -1.398
139 HG23 VAL 18 HG23 VAL 18 -0.748 0.076 -0.994
140 H MET 19 H MET 19 1.460 -3.053 1.646
141 HA MET 19 HA MET 19 3.474 -2.283 3.594
142 HB2 MET 19 HB2 MET 19 1.125 -3.164 3.988
143 HB3 MET 19 HB3 MET 19 1.723 -4.756 3.517
144 HG2 MET 19 HG2 MET 19 3.171 -4.895 5.375
145 HG3 MET 19 HG3 MET 19 3.109 -3.156 5.666
146 HE1 MET 19 HE1 MET 19 2.876 -4.824 8.074
147 HE2 MET 19 HE2 MET 19 1.437 -4.210 8.885
148 HE3 MET 19 HE3 MET 19 2.531 -3.089 8.078
149 H SER 20 H SER 20 3.050 -5.181 1.503
150 HA SER 20 HA SER 20 5.403 -6.539 2.488
151 HB2 SER 20 HB2 SER 20 3.823 -6.753 -0.091
152 HB3 SER 20 HB3 SER 20 5.036 -7.918 0.428
153 HG SER 20 HG SER 20 3.331 -8.770 1.367
154 H ARG 21 H ARG 21 4.843 -4.394 -0.324
155 HA ARG 21 HA ARG 21 7.326 -4.644 -1.637
156 HB2 ARG 21 HB2 ARG 21 5.228 -3.335 -2.270
157 HB3 ARG 21 HB3 ARG 21 5.801 -2.063 -1.190
158 HG2 ARG 21 HG2 ARG 21 7.680 -1.602 -2.521
159 HG3 ARG 21 HG3 ARG 21 7.615 -3.172 -3.322
160 HD2 ARG 21 HD2 ARG 21 6.620 -1.987 -5.018
161 HD3 ARG 21 HD3 ARG 21 5.166 -2.118 -4.007
162 HE ARG 21 HE ARG 21 5.518 0.136 -3.257
163 HH11 ARG 21 HH11 ARG 21 6.260 0.556 -6.147
164 HH12 ARG 21 HH12 ARG 21 7.769 1.393 -6.011
165 HH21 ARG 21 HH21 ARG 21 8.248 0.523 -2.679
166 HH22 ARG 21 HH22 ARG 21 8.901 1.376 -4.039
167 H PHE 22 H PHE 22 6.471 -2.497 1.099
168 HA PHE 22 HA PHE 22 9.152 -1.364 1.318
169 HB2 PHE 22 HB2 PHE 22 7.041 -0.224 1.986
170 HB3 PHE 22 HB3 PHE 22 6.802 -1.433 3.245
171 HD1 PHE 22 HD1 PHE 22 8.962 1.358 2.109
172 HD2 PHE 22 HD2 PHE 22 8.071 -1.385 5.293
173 HE1 PHE 22 HE1 PHE 22 10.410 2.665 3.641
174 HE2 PHE 22 HE2 PHE 22 9.518 -0.078 6.824
175 HZ PHE 22 HZ PHE 22 10.688 1.947 5.998
176 H GLY 23 H GLY 23 7.283 -3.809 3.159
177 HA2 GLY 23 HA2 GLY 23 9.270 -4.376 5.121
178 HA3 GLY 23 HA3 GLY 23 7.995 -5.492 4.632
179 H PHE 24 H PHE 24 8.661 -5.884 1.935
180 HA PHE 24 HA PHE 24 10.704 -7.886 2.081
181 HB2 PHE 24 HB2 PHE 24 9.060 -6.517 0.010
182 HB3 PHE 24 HB3 PHE 24 10.512 -7.330 -0.567
183 HD1 PHE 24 HD1 PHE 24 7.490 -7.875 1.581
184 HD2 PHE 24 HD2 PHE 24 10.521 -9.657 -0.890
185 HE1 PHE 24 HE2 PHE 24 6.342 -10.065 1.752
186 HE2 PHE 24 HE1 PHE 24 9.370 -11.848 -0.718
187 HZ PHE 24 HZ PHE 24 7.282 -12.051 0.603
188 H PHE 25 H PHE 25 10.779 -4.525 0.847
189 HA PHE 25 HA PHE 25 13.431 -4.485 -0.170
190 HB2 PHE 25 HB2 PHE 25 11.454 -2.752 -0.159
191 HB3 PHE 25 HB3 PHE 25 12.202 -2.178 1.331
192 HD1 PHE 25 HD1 PHE 25 14.560 -1.349 1.313
193 HD2 PHE 25 HD2 PHE 25 12.469 -2.358 -2.301
194 HE1 PHE 25 HE2 PHE 25 16.246 -0.104 -0.012
195 HE2 PHE 25 HE1 PHE 25 14.153 -1.111 -3.624
196 HZ PHE 25 HZ PHE 25 16.044 0.016 -2.480
197 H ALA 26 H ALA 26 12.233 -3.876 3.143
198 HA ALA 26 HA ALA 26 14.829 -3.282 4.287
199 HB1 ALA 26 HB1 ALA 26 12.967 -2.482 5.473
200 HB2 ALA 26 HB2 ALA 26 13.405 -3.907 6.413
201 HB3 ALA 26 HB3 ALA 26 12.069 -3.985 5.264
202 H HIS 27 H HIS 27 12.877 -6.241 3.951
203 HA HIS 27 HA HIS 27 14.614 -7.925 5.561
204 HB2 HIS 27 HB2 HIS 27 12.260 -8.175 3.753
205 HB3 HIS 27 HB3 HIS 27 13.231 -9.630 3.967
206 HD1 HIS 27 HD1 HIS 27 13.645 -10.360 6.546
207 HD2 HIS 27 HD2 HIS 27 10.575 -7.617 5.895
208 HE1 HIS 27 HE1 HIS 27 12.219 -10.371 8.639
209 H LEU 28 H LEU 28 14.432 -7.119 2.101
210 HA LEU 28 HA LEU 28 16.402 -9.137 1.304
211 HB2 LEU 28 HB2 LEU 28 14.977 -6.808 0.007
212 HB3 LEU 28 HB3 LEU 28 16.226 -7.704 -0.855
213 HG LEU 28 HG LEU 28 14.025 -9.229 0.498
214 HD11 LEU 28 HD11 LEU 28 13.458 -8.693 -2.302
215 HD12 LEU 28 HD12 LEU 28 13.477 -7.202 -1.362
216 HD13 LEU 28 HD13 LEU 28 12.404 -8.522 -0.899
217 HD21 LEU 28 HD21 LEU 28 14.482 -10.816 -1.288
218 HD22 LEU 28 HD22 LEU 28 16.016 -10.337 -0.562
219 HD23 LEU 28 HD23 LEU 28 15.520 -9.650 -2.109
220 H LEU 29 H LEU 29 16.405 -5.568 1.665
221 HA LEU 29 HA LEU 29 18.173 -4.047 1.963
222 HB2 LEU 29 HB2 LEU 29 18.555 -5.611 3.865
223 HB3 LEU 29 HB3 LEU 29 19.609 -6.578 2.834
224 HG LEU 29 HG LEU 29 20.424 -3.827 2.666
225 HD11 LEU 29 HD11 LEU 29 21.032 -3.390 4.977
226 HD12 LEU 29 HD12 LEU 29 20.367 -4.943 5.485
227 HD13 LEU 29 HD13 LEU 29 19.293 -3.671 4.901
228 HD21 LEU 29 HD21 LEU 29 21.977 -5.566 2.197
229 HD22 LEU 29 HD22 LEU 29 21.613 -6.406 3.704
230 HD23 LEU 29 HD23 LEU 29 22.516 -4.892 3.735
231 HA PRO 30 HA PRO 30 19.963 -5.107 -2.111
232 HB2 PRO 30 HB2 PRO 30 19.881 -2.536 -3.057
233 HB3 PRO 30 HB3 PRO 30 18.493 -3.640 -3.134
234 HG2 PRO 30 HG2 PRO 30 19.060 -1.446 -1.201
235 HG3 PRO 30 HG3 PRO 30 17.528 -1.924 -1.947
236 HD2 PRO 30 HD2 PRO 30 18.211 -2.587 0.601
237 HD3 PRO 30 HD3 PRO 30 17.144 -3.584 -0.412
238 H ARG 31 H ARG 31 22.072 -4.476 -3.001
239 HA ARG 31 HA ARG 31 23.765 -2.816 -1.165
240 HB2 ARG 31 HB2 ARG 31 24.114 -5.620 -2.209
241 HB3 ARG 31 HB3 ARG 31 25.531 -4.655 -1.796
242 HG2 ARG 31 HG2 ARG 31 23.324 -4.701 0.204
243 HG3 ARG 31 HG3 ARG 31 24.249 -6.189 0.014
244 HD2 ARG 31 HD2 ARG 31 25.537 -5.076 1.620
245 HD3 ARG 31 HD3 ARG 31 26.324 -4.517 0.132
246 HE ARG 31 HE ARG 31 25.199 -2.400 0.363
247 HH11 ARG 31 HH11 ARG 31 25.976 -2.669 3.218
248 HH12 ARG 31 HH12 ARG 31 24.477 -2.424 4.047
249 HH21 ARG 31 HH21 ARG 31 22.524 -2.969 1.218
250 HH22 ARG 31 HH22 ARG 31 22.512 -2.593 2.911
Start of MODEL 8
1 HA ASP 1 HA ASP 1 -0.557 13.434 5.398
2 HB2 ASP 1 HB2 ASP 1 -0.126 10.935 3.728
3 HB3 ASP 1 HB3 ASP 1 -1.165 12.269 3.229
4 H THR 2 H THR 2 -2.663 13.537 6.097
5 HA THR 2 HA THR 2 -3.980 11.043 7.052
6 HB THR 2 HB THR 2 -4.940 13.904 7.312
7 HG1 THR 2 HG1 THR 2 -3.658 14.102 9.088
8 HG21 THR 2 HG21 THR 2 -6.553 12.266 8.020
9 HG22 THR 2 HG22 THR 2 -5.834 12.950 9.478
10 HG23 THR 2 HG23 THR 2 -5.326 11.360 8.907
11 H GLU 3 H GLU 3 -3.938 10.893 4.372
12 HA GLU 3 HA GLU 3 -6.714 11.661 3.539
13 HB2 GLU 3 HB2 GLU 3 -5.647 12.025 1.246
14 HB3 GLU 3 HB3 GLU 3 -5.215 13.207 2.479
15 HG2 GLU 3 HG2 GLU 3 -3.033 12.569 2.494
16 HG3 GLU 3 HG3 GLU 3 -3.439 10.855 2.409
17 H ILE 4 H ILE 4 -5.902 9.104 4.614
18 HA ILE 4 HA ILE 4 -6.177 7.374 2.175
19 HB ILE 4 HB ILE 4 -4.770 6.726 4.793
20 HG12 ILE 4 HG12 ILE 4 -2.924 6.821 2.656
21 HG13 ILE 4 HG13 ILE 4 -3.888 8.290 2.516
22 HG21 ILE 4 HG21 ILE 4 -5.485 4.714 3.699
23 HG22 ILE 4 HG22 ILE 4 -3.775 4.900 3.317
24 HG23 ILE 4 HG23 ILE 4 -4.997 5.323 2.119
25 HD11 ILE 4 HD11 ILE 4 -2.087 8.838 3.986
26 HD12 ILE 4 HD12 ILE 4 -2.288 7.344 4.900
27 HD13 ILE 4 HD13 ILE 4 -3.499 8.620 5.020
28 H ILE 5 H ILE 5 -7.432 5.391 2.573
29 HA ILE 5 HA ILE 5 -9.305 4.220 3.391
30 HB ILE 5 HB ILE 5 -8.495 5.546 6.001
31 HG12 ILE 5 HG12 ILE 5 -6.547 4.440 5.031
32 HG13 ILE 5 HG13 ILE 5 -7.156 3.457 6.359
33 HG21 ILE 5 HG21 ILE 5 -10.628 4.474 6.229
34 HG22 ILE 5 HG22 ILE 5 -9.437 3.377 6.930
35 HG23 ILE 5 HG23 ILE 5 -10.084 3.062 5.320
36 HD11 ILE 5 HD11 ILE 5 -6.719 1.946 4.551
37 HD12 ILE 5 HD12 ILE 5 -7.540 2.990 3.393
38 HD13 ILE 5 HD13 ILE 5 -8.471 2.135 4.623
39 H GLY 6 H GLY 6 -10.708 5.652 2.118
40 HA2 GLY 6 HA2 GLY 6 -12.128 7.725 3.740
41 HA3 GLY 6 HA3 GLY 6 -12.042 7.730 1.979
42 H GLY 7 H GLY 7 -13.483 6.422 0.801
43 HA2 GLY 7 HA2 GLY 7 -15.679 5.213 2.422
44 HA3 GLY 7 HA3 GLY 7 -15.849 5.784 0.762
45 H LEU 8 H LEU 8 -15.189 4.432 -0.946
46 HA LEU 8 HA LEU 8 -13.877 1.851 -0.354
47 HB2 LEU 8 HB2 LEU 8 -16.652 2.109 -0.215
48 HB3 LEU 8 HB3 LEU 8 -16.381 1.453 -1.829
49 HG LEU 8 HG LEU 8 -14.920 0.258 0.509
50 HD11 LEU 8 HD11 LEU 8 -17.775 -0.348 -0.318
51 HD12 LEU 8 HD12 LEU 8 -17.253 0.304 1.235
52 HD13 LEU 8 HD13 LEU 8 -16.814 -1.341 0.777
53 HD21 LEU 8 HD21 LEU 8 -14.372 -0.395 -1.828
54 HD22 LEU 8 HD22 LEU 8 -16.050 -0.884 -2.069
55 HD23 LEU 8 HD23 LEU 8 -15.039 -1.747 -0.911
56 H THR 9 H THR 9 -12.430 3.246 -1.841
57 HA THR 9 HA THR 9 -13.197 2.777 -4.707
58 HB THR 9 HB THR 9 -13.217 5.165 -3.770
59 HG1 THR 9 HG1 THR 9 -13.090 5.322 -5.857
60 HG21 THR 9 HG21 THR 9 -10.215 4.915 -3.999
61 HG22 THR 9 HG22 THR 9 -11.057 4.764 -2.458
62 HG23 THR 9 HG23 THR 9 -11.147 6.272 -3.368
63 H ILE 10 H ILE 10 -11.396 1.303 -2.580
64 HA ILE 10 HA ILE 10 -9.200 0.754 -4.492
65 HB ILE 10 HB ILE 10 -8.451 2.633 -3.060
66 HG12 ILE 10 HG12 ILE 10 -7.029 0.092 -2.228
67 HG13 ILE 10 HG13 ILE 10 -6.889 0.777 -3.848
68 HG21 ILE 10 HG21 ILE 10 -9.886 1.976 -1.084
69 HG22 ILE 10 HG22 ILE 10 -8.222 2.390 -0.669
70 HG23 ILE 10 HG23 ILE 10 -8.718 0.698 -0.741
71 HD11 ILE 10 HD11 ILE 10 -6.031 2.876 -2.916
72 HD12 ILE 10 HD12 ILE 10 -5.038 1.523 -2.372
73 HD13 ILE 10 HD13 ILE 10 -6.220 2.246 -1.280
74 HA PRO 11 HA PRO 11 -10.085 -3.258 -2.843
75 HB2 PRO 11 HB2 PRO 11 -8.100 -4.631 -4.127
76 HB3 PRO 11 HB3 PRO 11 -9.571 -4.071 -4.943
77 HG2 PRO 11 HG2 PRO 11 -6.832 -2.944 -5.005
78 HG3 PRO 11 HG3 PRO 11 -8.067 -2.987 -6.270
79 HD2 PRO 11 HD2 PRO 11 -7.449 -0.780 -4.721
80 HD3 PRO 11 HD3 PRO 11 -8.968 -1.009 -5.612
81 HA PRO 12 HA PRO 12 -7.285 -3.642 0.554
82 HB2 PRO 12 HB2 PRO 12 -7.733 -6.252 1.252
83 HB3 PRO 12 HB3 PRO 12 -8.888 -4.947 1.584
84 HG2 PRO 12 HG2 PRO 12 -8.902 -6.976 -0.596
85 HG3 PRO 12 HG3 PRO 12 -10.249 -6.330 0.355
86 HD2 PRO 12 HD2 PRO 12 -9.691 -5.519 -2.181
87 HD3 PRO 12 HD3 PRO 12 -10.471 -4.476 -0.972
88 H VAL 13 H VAL 13 -7.066 -5.850 -2.178
89 HA VAL 13 HA VAL 13 -4.709 -7.296 -1.486
90 HB VAL 13 HB VAL 13 -4.545 -7.651 -3.935
91 HG11 VAL 13 HG11 VAL 13 -6.491 -8.901 -4.088
92 HG12 VAL 13 HG12 VAL 13 -7.487 -7.637 -3.366
93 HG13 VAL 13 HG13 VAL 13 -6.431 -8.617 -2.349
94 HG21 VAL 13 HG21 VAL 13 -6.530 -6.478 -5.229
95 HG22 VAL 13 HG22 VAL 13 -5.004 -5.626 -4.997
96 HG23 VAL 13 HG23 VAL 13 -6.380 -5.270 -3.953
97 H VAL 14 H VAL 14 -5.085 -4.054 -2.943
98 HA VAL 14 HA VAL 14 -2.308 -3.677 -3.607
99 HB VAL 14 HB VAL 14 -4.433 -2.398 -4.345
100 HG11 VAL 14 HG11 VAL 14 -5.216 -0.608 -3.031
101 HG12 VAL 14 HG12 VAL 14 -3.795 -0.634 -1.986
102 HG13 VAL 14 HG13 VAL 14 -5.005 -1.909 -1.861
103 HG21 VAL 14 HG21 VAL 14 -2.084 -1.774 -4.929
104 HG22 VAL 14 HG22 VAL 14 -2.024 -0.775 -3.476
105 HG23 VAL 14 HG23 VAL 14 -3.146 -0.374 -4.777
106 H ALA 15 H ALA 15 -4.163 -3.172 -0.622
107 HA ALA 15 HA ALA 15 -2.090 -1.718 0.800
108 HB1 ALA 15 HB1 ALA 15 -4.395 -3.424 1.810
109 HB2 ALA 15 HB2 ALA 15 -4.535 -1.730 1.338
110 HB3 ALA 15 HB3 ALA 15 -3.544 -2.179 2.726
111 H LEU 16 H LEU 16 -3.036 -5.143 0.539
112 HA LEU 16 HA LEU 16 -1.242 -6.223 2.495
113 HB2 LEU 16 HB2 LEU 16 -3.243 -7.270 1.274
114 HB3 LEU 16 HB3 LEU 16 -2.153 -7.522 -0.089
115 HG LEU 16 HG LEU 16 -0.996 -8.417 2.447
116 HD11 LEU 16 HD11 LEU 16 -3.437 -8.872 2.856
117 HD12 LEU 16 HD12 LEU 16 -2.447 -10.329 2.795
118 HD13 LEU 16 HD13 LEU 16 -3.442 -9.880 1.409
119 HD21 LEU 16 HD21 LEU 16 -0.266 -8.893 0.036
120 HD22 LEU 16 HD22 LEU 16 -1.638 -9.998 -0.054
121 HD23 LEU 16 HD23 LEU 16 -0.345 -10.289 1.111
122 H VAL 17 H VAL 17 -0.854 -5.534 -0.985
123 HA VAL 17 HA VAL 17 1.775 -6.690 -1.273
124 HB VAL 17 HB VAL 17 0.263 -4.522 -2.774
125 HG11 VAL 17 HG11 VAL 17 2.483 -4.199 -3.472
126 HG12 VAL 17 HG12 VAL 17 1.872 -5.352 -4.657
127 HG13 VAL 17 HG13 VAL 17 2.881 -5.911 -3.322
128 HG21 VAL 17 HG21 VAL 17 0.691 -7.193 -3.964
129 HG22 VAL 17 HG22 VAL 17 -0.767 -6.201 -3.920
130 HG23 VAL 17 HG23 VAL 17 -0.332 -7.191 -2.527
131 H VAL 18 H VAL 18 0.615 -3.416 -0.451
132 HA VAL 18 HA VAL 18 3.145 -2.073 -0.488
133 HB VAL 18 HB VAL 18 0.551 -1.663 1.038
134 HG11 VAL 18 HG11 VAL 18 2.102 -0.472 2.361
135 HG12 VAL 18 HG12 VAL 18 1.500 0.745 1.236
136 HG13 VAL 18 HG13 VAL 18 3.073 -0.006 0.963
137 HG21 VAL 18 HG21 VAL 18 1.052 -1.402 -1.624
138 HG22 VAL 18 HG22 VAL 18 1.496 0.209 -1.063
139 HG23 VAL 18 HG23 VAL 18 -0.125 -0.415 -0.758
140 H MET 19 H MET 19 1.470 -3.935 2.051
141 HA MET 19 HA MET 19 3.295 -3.349 4.201
142 HB2 MET 19 HB2 MET 19 0.899 -4.463 4.061
143 HB3 MET 19 HB3 MET 19 1.824 -5.959 3.914
144 HG2 MET 19 HG2 MET 19 3.092 -5.268 5.995
145 HG3 MET 19 HG3 MET 19 1.933 -3.950 6.179
146 HE1 MET 19 HE1 MET 19 0.153 -5.707 8.818
147 HE2 MET 19 HE2 MET 19 -0.150 -4.309 7.789
148 HE3 MET 19 HE3 MET 19 1.478 -4.617 8.388
149 H SER 20 H SER 20 3.091 -6.154 1.960
150 HA SER 20 HA SER 20 5.464 -7.480 2.915
151 HB2 SER 20 HB2 SER 20 3.506 -8.322 1.447
152 HB3 SER 20 HB3 SER 20 4.350 -7.565 0.099
153 HG SER 20 HG SER 20 5.272 -9.628 1.821
154 H ARG 21 H ARG 21 4.878 -5.118 0.313
155 HA ARG 21 HA ARG 21 7.452 -5.053 -0.886
156 HB2 ARG 21 HB2 ARG 21 5.535 -3.967 -1.866
157 HB3 ARG 21 HB3 ARG 21 5.282 -2.986 -0.425
158 HG2 ARG 21 HG2 ARG 21 7.755 -2.162 -0.968
159 HG3 ARG 21 HG3 ARG 21 7.316 -2.674 -2.598
160 HD2 ARG 21 HD2 ARG 21 6.686 -0.349 -2.419
161 HD3 ARG 21 HD3 ARG 21 5.179 -1.279 -2.312
162 HE ARG 21 HE ARG 21 5.521 -1.126 0.241
163 HH11 ARG 21 HH11 ARG 21 8.116 0.345 0.147
164 HH12 ARG 21 HH12 ARG 21 7.619 1.991 0.346
165 HH21 ARG 21 HH21 ARG 21 4.290 1.356 -0.432
166 HH22 ARG 21 HH22 ARG 21 5.445 2.565 0.019
167 H PHE 22 H PHE 22 6.174 -3.257 1.937
168 HA PHE 22 HA PHE 22 8.479 -1.637 2.445
169 HB2 PHE 22 HB2 PHE 22 6.089 -1.532 3.385
170 HB3 PHE 22 HB3 PHE 22 6.582 -2.805 4.499
171 HD1 PHE 22 HD1 PHE 22 7.243 0.688 3.432
172 HD2 PHE 22 HD2 PHE 22 8.025 -2.354 6.362
173 HE1 PHE 22 HE1 PHE 22 8.290 2.382 4.909
174 HE2 PHE 22 HE2 PHE 22 9.072 -0.659 7.840
175 HZ PHE 22 HZ PHE 22 9.204 1.709 7.114
176 H GLY 23 H GLY 23 7.538 -4.849 3.739
177 HA2 GLY 23 HA2 GLY 23 9.885 -5.198 5.367
178 HA3 GLY 23 HA3 GLY 23 8.820 -6.497 4.820
179 H PHE 24 H PHE 24 9.068 -6.165 2.032
180 HA PHE 24 HA PHE 24 11.484 -7.602 1.455
181 HB2 PHE 24 HB2 PHE 24 9.207 -6.358 0.012
182 HB3 PHE 24 HB3 PHE 24 10.674 -6.569 -0.943
183 HD1 PHE 24 HD1 PHE 24 11.881 -8.950 -0.520
184 HD2 PHE 24 HD2 PHE 24 7.702 -8.131 0.039
185 HE1 PHE 24 HE1 PHE 24 11.375 -11.365 -0.769
186 HE2 PHE 24 HE2 PHE 24 7.195 -10.545 -0.208
187 HZ PHE 24 HZ PHE 24 9.031 -12.162 -0.611
188 H PHE 25 H PHE 25 10.594 -4.160 1.062
189 HA PHE 25 HA PHE 25 12.953 -3.258 -0.263
190 HB2 PHE 25 HB2 PHE 25 10.738 -2.133 1.373
191 HB3 PHE 25 HB3 PHE 25 12.182 -1.130 1.253
192 HD1 PHE 25 HD1 PHE 25 10.701 -3.490 -1.254
193 HD2 PHE 25 HD2 PHE 25 11.629 0.587 -0.261
194 HE1 PHE 25 HE1 PHE 25 10.026 -2.782 -3.531
195 HE2 PHE 25 HE2 PHE 25 10.955 1.293 -2.539
196 HZ PHE 25 HZ PHE 25 10.154 -0.389 -4.174
197 H ALA 26 H ALA 26 12.221 -3.540 3.232
198 HA ALA 26 HA ALA 26 14.687 -2.451 4.213
199 HB1 ALA 26 HB1 ALA 26 12.717 -2.742 5.601
200 HB2 ALA 26 HB2 ALA 26 14.002 -3.748 6.271
201 HB3 ALA 26 HB3 ALA 26 12.717 -4.481 5.311
202 H HIS 27 H HIS 27 13.911 -5.568 2.820
203 HA HIS 27 HA HIS 27 16.433 -6.797 3.811
204 HB2 HIS 27 HB2 HIS 27 13.892 -7.708 2.476
205 HB3 HIS 27 HB3 HIS 27 15.313 -8.750 2.449
206 HD1 HIS 27 HD1 HIS 27 15.216 -10.392 4.310
207 HD2 HIS 27 HD2 HIS 27 13.618 -6.713 5.448
208 HE1 HIS 27 HE1 HIS 27 14.523 -10.630 6.735
209 H LEU 28 H LEU 28 15.105 -5.292 0.941
210 HA LEU 28 HA LEU 28 17.341 -6.381 -0.728
211 HB2 LEU 28 HB2 LEU 28 14.647 -5.127 -1.320
212 HB3 LEU 28 HB3 LEU 28 15.837 -5.455 -2.579
213 HG LEU 28 HG LEU 28 15.057 -7.644 -0.671
214 HD11 LEU 28 HD11 LEU 28 13.252 -8.307 -2.203
215 HD12 LEU 28 HD12 LEU 28 13.550 -6.879 -3.193
216 HD13 LEU 28 HD13 LEU 28 12.938 -6.700 -1.548
217 HD21 LEU 28 HD21 LEU 28 15.621 -9.040 -2.626
218 HD22 LEU 28 HD22 LEU 28 16.954 -7.954 -2.235
219 HD23 LEU 28 HD23 LEU 28 15.889 -7.589 -3.592
220 H LEU 29 H LEU 29 17.759 -4.184 1.235
221 HA LEU 29 HA LEU 29 18.739 -2.125 -0.689
222 HB2 LEU 29 HB2 LEU 29 16.585 -1.888 1.278
223 HB3 LEU 29 HB3 LEU 29 17.838 -0.672 1.512
224 HG LEU 29 HG LEU 29 17.449 -0.786 -1.269
225 HD11 LEU 29 HD11 LEU 29 14.788 -0.650 0.181
226 HD12 LEU 29 HD12 LEU 29 15.330 -2.023 -0.784
227 HD13 LEU 29 HD13 LEU 29 15.051 -0.461 -1.552
228 HD21 LEU 29 HD21 LEU 29 17.911 1.172 0.305
229 HD22 LEU 29 HD22 LEU 29 16.178 1.198 0.634
230 HD23 LEU 29 HD23 LEU 29 16.771 1.495 -1.001
231 HA PRO 30 HA PRO 30 22.241 -2.522 2.000
232 HB2 PRO 30 HB2 PRO 30 23.734 -0.479 0.971
233 HB3 PRO 30 HB3 PRO 30 23.522 -2.029 0.135
234 HG2 PRO 30 HG2 PRO 30 22.237 0.590 -0.382
235 HG3 PRO 30 HG3 PRO 30 22.700 -0.687 -1.515
236 HD2 PRO 30 HD2 PRO 30 20.126 -0.210 -0.610
237 HD3 PRO 30 HD3 PRO 30 20.697 -1.733 -1.326
238 H ARG 31 H ARG 31 23.588 -0.993 3.451
239 HA ARG 31 HA ARG 31 23.394 0.266 5.460
240 HB2 ARG 31 HB2 ARG 31 23.392 2.700 4.767
241 HB3 ARG 31 HB3 ARG 31 24.525 1.685 3.880
242 HG2 ARG 31 HG2 ARG 31 22.837 1.486 2.043
243 HG3 ARG 31 HG3 ARG 31 21.800 2.613 2.917
244 HD2 ARG 31 HD2 ARG 31 24.350 3.840 2.824
245 HD3 ARG 31 HD3 ARG 31 24.050 3.204 1.196
246 HE ARG 31 HE ARG 31 21.698 4.317 1.522
247 HH11 ARG 31 HH11 ARG 31 22.304 5.631 4.105
248 HH12 ARG 31 HH12 ARG 31 22.866 7.197 3.622
249 HH21 ARG 31 HH21 ARG 31 23.459 6.252 0.327
250 HH22 ARG 31 HH22 ARG 31 23.523 7.549 1.473
Start of MODEL 9
1 HA ASP 1 HA ASP 1 -28.311 -6.233 -13.538
2 HB2 ASP 1 HB2 ASP 1 -27.946 -8.193 -15.287
3 HB3 ASP 1 HB3 ASP 1 -26.939 -8.863 -14.002
4 H THR 2 H THR 2 -27.967 -6.238 -11.321
5 HA THR 2 HA THR 2 -25.353 -7.192 -10.247
6 HB THR 2 HB THR 2 -25.312 -4.965 -8.936
7 HG1 THR 2 HG1 THR 2 -27.358 -4.235 -9.398
8 HG21 THR 2 HG21 THR 2 -23.897 -5.638 -10.981
9 HG22 THR 2 HG22 THR 2 -24.024 -3.916 -10.619
10 HG23 THR 2 HG23 THR 2 -24.992 -4.619 -11.915
11 H GLU 3 H GLU 3 -26.299 -8.801 -8.958
12 HA GLU 3 HA GLU 3 -28.417 -7.918 -7.022
13 HB2 GLU 3 HB2 GLU 3 -28.831 -9.726 -8.836
14 HB3 GLU 3 HB3 GLU 3 -27.789 -10.757 -7.853
15 HG2 GLU 3 HG2 GLU 3 -30.033 -11.199 -7.136
16 HG3 GLU 3 HG3 GLU 3 -29.301 -10.202 -5.880
17 H ILE 4 H ILE 4 -27.383 -7.466 -5.115
18 HA ILE 4 HA ILE 4 -26.051 -7.734 -3.193
19 HB ILE 4 HB ILE 4 -26.183 -10.630 -4.097
20 HG12 ILE 4 HG12 ILE 4 -27.970 -9.263 -2.077
21 HG13 ILE 4 HG13 ILE 4 -28.383 -9.299 -3.791
22 HG21 ILE 4 HG21 ILE 4 -25.335 -9.257 -1.566
23 HG22 ILE 4 HG22 ILE 4 -24.610 -10.646 -2.379
24 HG23 ILE 4 HG23 ILE 4 -26.107 -10.840 -1.466
25 HD11 ILE 4 HD11 ILE 4 -29.450 -11.187 -2.674
26 HD12 ILE 4 HD12 ILE 4 -27.902 -11.704 -2.008
27 HD13 ILE 4 HD13 ILE 4 -28.186 -11.788 -3.747
28 H ILE 5 H ILE 5 -24.233 -6.590 -4.099
29 HA ILE 5 HA ILE 5 -22.037 -8.307 -5.199
30 HB ILE 5 HB ILE 5 -23.025 -6.361 -6.505
31 HG12 ILE 5 HG12 ILE 5 -20.228 -5.536 -6.106
32 HG13 ILE 5 HG13 ILE 5 -20.426 -7.275 -6.318
33 HG21 ILE 5 HG21 ILE 5 -23.234 -4.900 -4.431
34 HG22 ILE 5 HG22 ILE 5 -22.523 -4.113 -5.839
35 HG23 ILE 5 HG23 ILE 5 -21.489 -4.665 -4.522
36 HD11 ILE 5 HD11 ILE 5 -21.622 -6.945 -8.402
37 HD12 ILE 5 HD12 ILE 5 -20.113 -6.035 -8.479
38 HD13 ILE 5 HD13 ILE 5 -21.633 -5.198 -8.164
39 H GLY 6 H GLY 6 -22.875 -7.615 -2.246
40 HA2 GLY 6 HA2 GLY 6 -21.269 -7.853 -0.411
41 HA3 GLY 6 HA3 GLY 6 -20.108 -6.929 -1.364
42 H GLY 7 H GLY 7 -19.952 -4.775 -0.914
43 HA2 GLY 7 HA2 GLY 7 -21.723 -2.789 -0.581
44 HA3 GLY 7 HA3 GLY 7 -21.906 -3.598 0.975
45 H LEU 8 H LEU 8 -19.666 -4.072 2.069
46 HA LEU 8 HA LEU 8 -17.614 -2.010 1.487
47 HB2 LEU 8 HB2 LEU 8 -19.680 -1.339 3.091
48 HB3 LEU 8 HB3 LEU 8 -18.629 -2.094 4.289
49 HG LEU 8 HG LEU 8 -16.915 -0.496 2.748
50 HD11 LEU 8 HD11 LEU 8 -18.910 0.634 1.813
51 HD12 LEU 8 HD12 LEU 8 -17.970 1.725 2.830
52 HD13 LEU 8 HD13 LEU 8 -19.458 1.006 3.448
53 HD21 LEU 8 HD21 LEU 8 -18.236 0.165 5.399
54 HD22 LEU 8 HD22 LEU 8 -16.689 0.779 4.820
55 HD23 LEU 8 HD23 LEU 8 -16.868 -0.932 5.211
56 H THR 9 H THR 9 -17.695 -5.006 1.554
57 HA THR 9 HA THR 9 -15.711 -5.473 3.763
58 HB THR 9 HB THR 9 -16.546 -7.852 3.612
59 HG1 THR 9 HG1 THR 9 -17.427 -7.902 1.599
60 HG21 THR 9 HG21 THR 9 -18.768 -5.865 4.133
61 HG22 THR 9 HG22 THR 9 -17.425 -6.129 5.246
62 HG23 THR 9 HG23 THR 9 -18.542 -7.445 4.885
63 H ILE 10 H ILE 10 -14.524 -4.461 1.612
64 HA ILE 10 HA ILE 10 -13.834 -6.556 -0.353
65 HB ILE 10 HB ILE 10 -12.478 -4.711 -1.342
66 HG12 ILE 10 HG12 ILE 10 -13.598 -2.813 0.696
67 HG13 ILE 10 HG13 ILE 10 -12.140 -3.718 1.103
68 HG21 ILE 10 HG21 ILE 10 -14.362 -3.259 -1.917
69 HG22 ILE 10 HG22 ILE 10 -15.269 -3.854 -0.526
70 HG23 ILE 10 HG23 ILE 10 -14.892 -4.940 -1.862
71 HD11 ILE 10 HD11 ILE 10 -11.172 -2.928 -1.116
72 HD12 ILE 10 HD12 ILE 10 -11.400 -1.670 0.100
73 HD13 ILE 10 HD13 ILE 10 -12.550 -1.831 -1.228
74 HA PRO 11 HA PRO 11 -10.258 -7.916 1.836
75 HB2 PRO 11 HB2 PRO 11 -8.835 -8.978 -0.246
76 HB3 PRO 11 HB3 PRO 11 -10.271 -9.762 0.439
77 HG2 PRO 11 HG2 PRO 11 -9.998 -8.155 -2.045
78 HG3 PRO 11 HG3 PRO 11 -10.992 -9.584 -1.727
79 HD2 PRO 11 HD2 PRO 11 -11.955 -7.018 -1.775
80 HD3 PRO 11 HD3 PRO 11 -12.713 -8.352 -0.878
81 HA PRO 12 HA PRO 12 -7.390 -4.583 1.179
82 HB2 PRO 12 HB2 PRO 12 -5.511 -5.326 3.016
83 HB3 PRO 12 HB3 PRO 12 -7.076 -4.624 3.459
84 HG2 PRO 12 HG2 PRO 12 -6.161 -7.429 3.605
85 HG3 PRO 12 HG3 PRO 12 -7.312 -6.561 4.627
86 HD2 PRO 12 HD2 PRO 12 -7.958 -8.353 2.590
87 HD3 PRO 12 HD3 PRO 12 -9.068 -7.196 3.353
88 H VAL 13 H VAL 13 -7.085 -5.996 -0.987
89 HA VAL 13 HA VAL 13 -4.613 -7.553 -1.150
90 HB VAL 13 HB VAL 13 -5.162 -7.617 -3.556
91 HG11 VAL 13 HG11 VAL 13 -6.427 -8.978 -1.769
92 HG12 VAL 13 HG12 VAL 13 -7.170 -8.852 -3.363
93 HG13 VAL 13 HG13 VAL 13 -7.759 -7.851 -2.036
94 HG21 VAL 13 HG21 VAL 13 -5.925 -5.412 -4.041
95 HG22 VAL 13 HG22 VAL 13 -7.154 -5.473 -2.779
96 HG23 VAL 13 HG23 VAL 13 -7.343 -6.441 -4.238
97 H VAL 14 H VAL 14 -5.586 -4.242 -2.096
98 HA VAL 14 HA VAL 14 -3.076 -3.528 -3.326
99 HB VAL 14 HB VAL 14 -3.955 -1.209 -3.048
100 HG11 VAL 14 HG11 VAL 14 -5.797 -1.471 -4.510
101 HG12 VAL 14 HG12 VAL 14 -6.243 -3.026 -3.809
102 HG13 VAL 14 HG13 VAL 14 -4.797 -2.892 -4.808
103 HG21 VAL 14 HG21 VAL 14 -6.190 -0.926 -1.966
104 HG22 VAL 14 HG22 VAL 14 -4.945 -1.415 -0.818
105 HG23 VAL 14 HG23 VAL 14 -6.110 -2.597 -1.413
106 H ALA 15 H ALA 15 -4.275 -3.405 0.008
107 HA ALA 15 HA ALA 15 -2.128 -1.835 1.124
108 HB1 ALA 15 HB1 ALA 15 -4.418 -2.360 2.095
109 HB2 ALA 15 HB2 ALA 15 -3.079 -2.578 3.222
110 HB3 ALA 15 HB3 ALA 15 -3.817 -3.981 2.448
111 H LEU 16 H LEU 16 -2.621 -5.332 0.646
112 HA LEU 16 HA LEU 16 -0.287 -6.239 2.062
113 HB2 LEU 16 HB2 LEU 16 -2.371 -7.507 1.234
114 HB3 LEU 16 HB3 LEU 16 -1.590 -7.536 -0.347
115 HG LEU 16 HG LEU 16 0.032 -8.413 2.004
116 HD11 LEU 16 HD11 LEU 16 -0.906 -10.683 1.884
117 HD12 LEU 16 HD12 LEU 16 -2.092 -10.142 0.695
118 HD13 LEU 16 HD13 LEU 16 -2.155 -9.528 2.349
119 HD21 LEU 16 HD21 LEU 16 1.239 -8.560 0.017
120 HD22 LEU 16 HD22 LEU 16 -0.186 -8.967 -0.939
121 HD23 LEU 16 HD23 LEU 16 0.553 -10.183 0.102
122 H VAL 17 H VAL 17 -0.844 -5.380 -1.367
123 HA VAL 17 HA VAL 17 1.761 -6.099 -2.344
124 HB VAL 17 HB VAL 17 -0.359 -4.111 -3.223
125 HG11 VAL 17 HG11 VAL 17 0.855 -4.302 -5.472
126 HG12 VAL 17 HG12 VAL 17 2.219 -4.954 -4.563
127 HG13 VAL 17 HG13 VAL 17 1.648 -3.316 -4.243
128 HG21 VAL 17 HG21 VAL 17 0.435 -6.860 -4.241
129 HG22 VAL 17 HG22 VAL 17 -0.863 -5.858 -4.891
130 HG23 VAL 17 HG23 VAL 17 -0.985 -6.508 -3.256
131 H VAL 18 H VAL 18 0.459 -3.048 -1.011
132 HA VAL 18 HA VAL 18 2.825 -1.458 -1.442
133 HB VAL 18 HB VAL 18 0.449 -1.322 0.440
134 HG11 VAL 18 HG11 VAL 18 1.235 1.149 0.648
135 HG12 VAL 18 HG12 VAL 18 2.814 0.531 0.159
136 HG13 VAL 18 HG13 VAL 18 2.050 -0.066 1.633
137 HG21 VAL 18 HG21 VAL 18 -0.291 0.438 -1.081
138 HG22 VAL 18 HG22 VAL 18 0.092 -1.003 -2.020
139 HG23 VAL 18 HG23 VAL 18 1.226 0.346 -1.976
140 H MET 19 H MET 19 1.606 -3.203 1.447
141 HA MET 19 HA MET 19 3.847 -2.633 3.151
142 HB2 MET 19 HB2 MET 19 1.467 -3.553 3.639
143 HB3 MET 19 HB3 MET 19 2.148 -5.131 3.242
144 HG2 MET 19 HG2 MET 19 3.018 -5.270 5.313
145 HG3 MET 19 HG3 MET 19 3.976 -3.821 5.002
146 HE1 MET 19 HE1 MET 19 0.280 -4.356 7.535
147 HE2 MET 19 HE2 MET 19 1.568 -5.479 7.105
148 HE3 MET 19 HE3 MET 19 0.339 -5.061 5.914
149 H SER 20 H SER 20 3.210 -5.259 0.824
150 HA SER 20 HA SER 20 5.351 -7.011 1.482
151 HB2 SER 20 HB2 SER 20 3.426 -7.362 -0.126
152 HB3 SER 20 HB3 SER 20 4.272 -6.331 -1.275
153 HG SER 20 HG SER 20 4.912 -8.370 -1.753
154 H ARG 21 H ARG 21 5.281 -4.171 -0.700
155 HA ARG 21 HA ARG 21 7.992 -4.361 -1.622
156 HB2 ARG 21 HB2 ARG 21 5.723 -2.682 -1.907
157 HB3 ARG 21 HB3 ARG 21 7.040 -1.638 -1.373
158 HG2 ARG 21 HG2 ARG 21 8.317 -3.187 -3.234
159 HG3 ARG 21 HG3 ARG 21 6.699 -3.081 -3.929
160 HD2 ARG 21 HD2 ARG 21 8.184 -0.628 -2.938
161 HD3 ARG 21 HD3 ARG 21 8.308 -1.206 -4.612
162 HE ARG 21 HE ARG 21 5.762 -0.329 -3.306
163 HH11 ARG 21 HH11 ARG 21 5.288 -2.300 -5.476
164 HH12 ARG 21 HH12 ARG 21 5.147 -1.294 -6.878
165 HH21 ARG 21 HH21 ARG 21 6.609 1.472 -5.365
166 HH22 ARG 21 HH22 ARG 21 5.898 0.849 -6.816
167 H PHE 22 H PHE 22 6.524 -2.610 1.133
168 HA PHE 22 HA PHE 22 8.927 -1.346 2.076
169 HB2 PHE 22 HB2 PHE 22 6.226 -2.083 3.165
170 HB3 PHE 22 HB3 PHE 22 7.461 -1.515 4.289
171 HD1 PHE 22 HD1 PHE 22 8.757 0.662 3.556
172 HD2 PHE 22 HD2 PHE 22 4.918 -0.514 2.030
173 HE1 PHE 22 HE2 PHE 22 8.314 3.002 2.861
174 HE2 PHE 22 HE1 PHE 22 4.476 1.825 1.336
175 HZ PHE 22 HZ PHE 22 6.174 3.583 1.752
176 H GLY 23 H GLY 23 7.359 -4.445 2.943
177 HA2 GLY 23 HA2 GLY 23 9.277 -5.207 4.943
178 HA3 GLY 23 HA3 GLY 23 8.183 -6.311 4.106
179 H PHE 24 H PHE 24 9.054 -5.853 1.440
180 HA PHE 24 HA PHE 24 11.251 -7.652 1.200
181 HB2 PHE 24 HB2 PHE 24 9.535 -6.001 -0.477
182 HB3 PHE 24 HB3 PHE 24 11.183 -6.032 -1.102
183 HD1 PHE 24 HD1 PHE 24 12.315 -8.262 -1.499
184 HD2 PHE 24 HD2 PHE 24 8.119 -7.913 -0.644
185 HE1 PHE 24 HE2 PHE 24 11.945 -10.549 -2.381
186 HE2 PHE 24 HE1 PHE 24 7.750 -10.199 -1.526
187 HZ PHE 24 HZ PHE 24 9.663 -11.518 -2.396
188 H PHE 25 H PHE 25 11.175 -4.072 0.992
189 HA PHE 25 HA PHE 25 13.988 -3.725 0.495
190 HB2 PHE 25 HB2 PHE 25 12.094 -2.084 0.146
191 HB3 PHE 25 HB3 PHE 25 12.040 -1.866 1.895
192 HD1 PHE 25 HD1 PHE 25 14.212 -1.513 -1.109
193 HD2 PHE 25 HD2 PHE 25 13.633 -0.499 3.026
194 HE1 PHE 25 HE2 PHE 25 16.060 0.133 -1.254
195 HE2 PHE 25 HE1 PHE 25 15.481 1.148 2.880
196 HZ PHE 25 HZ PHE 25 16.695 1.465 0.741
197 H ALA 26 H ALA 26 12.064 -3.733 3.510
198 HA ALA 26 HA ALA 26 14.223 -3.092 5.298
199 HB1 ALA 26 HB1 ALA 26 12.602 -4.082 6.976
200 HB2 ALA 26 HB2 ALA 26 11.588 -4.559 5.614
201 HB3 ALA 26 HB3 ALA 26 11.899 -2.851 5.924
202 H HIS 27 H HIS 27 13.198 -6.124 3.806
203 HA HIS 27 HA HIS 27 15.086 -7.664 5.540
204 HB2 HIS 27 HB2 HIS 27 12.744 -8.323 3.745
205 HB3 HIS 27 HB3 HIS 27 13.837 -9.584 4.316
206 HD1 HIS 27 HD1 HIS 27 13.370 -10.506 6.597
207 HD2 HIS 27 HD2 HIS 27 11.542 -6.801 6.023
208 HE1 HIS 27 HE1 HIS 27 11.958 -10.076 8.655
209 H LEU 28 H LEU 28 15.809 -5.858 3.122
210 HA LEU 28 HA LEU 28 17.634 -7.813 1.849
211 HB2 LEU 28 HB2 LEU 28 15.196 -7.443 0.743
212 HB3 LEU 28 HB3 LEU 28 16.062 -6.115 -0.028
213 HG LEU 28 HG LEU 28 17.817 -8.308 -0.163
214 HD11 LEU 28 HD11 LEU 28 14.952 -9.083 -0.766
215 HD12 LEU 28 HD12 LEU 28 16.062 -9.875 0.352
216 HD13 LEU 28 HD13 LEU 28 16.346 -9.966 -1.387
217 HD21 LEU 28 HD21 LEU 28 17.341 -8.146 -2.596
218 HD22 LEU 28 HD22 LEU 28 17.532 -6.553 -1.865
219 HD23 LEU 28 HD23 LEU 28 15.920 -7.163 -2.241
220 H LEU 29 H LEU 29 18.123 -5.537 3.564
221 HA LEU 29 HA LEU 29 19.647 -3.795 1.663
222 HB2 LEU 29 HB2 LEU 29 17.383 -2.924 2.663
223 HB3 LEU 29 HB3 LEU 29 18.317 -2.725 4.146
224 HG LEU 29 HG LEU 29 20.036 -1.491 2.624
225 HD11 LEU 29 HD11 LEU 29 17.523 -1.476 0.931
226 HD12 LEU 29 HD12 LEU 29 19.129 -2.034 0.463
227 HD13 LEU 29 HD13 LEU 29 18.834 -0.315 0.722
228 HD21 LEU 29 HD21 LEU 29 18.871 -0.252 4.293
229 HD22 LEU 29 HD22 LEU 29 17.332 -0.414 3.448
230 HD23 LEU 29 HD23 LEU 29 18.593 0.629 2.792
231 HA PRO 30 HA PRO 30 22.804 -4.996 4.588
232 HB2 PRO 30 HB2 PRO 30 24.856 -3.613 3.419
233 HB3 PRO 30 HB3 PRO 30 24.241 -5.152 2.782
234 HG2 PRO 30 HG2 PRO 30 23.717 -2.376 1.858
235 HG3 PRO 30 HG3 PRO 30 23.924 -3.861 0.916
236 HD2 PRO 30 HD2 PRO 30 21.496 -2.717 1.452
237 HD3 PRO 30 HD3 PRO 30 21.727 -4.447 1.119
238 H ARG 31 H ARG 31 23.593 -3.998 6.461
239 HA ARG 31 HA ARG 31 23.241 -1.023 6.668
240 HB2 ARG 31 HB2 ARG 31 22.057 -3.203 8.078
241 HB3 ARG 31 HB3 ARG 31 23.133 -2.377 9.205
242 HG2 ARG 31 HG2 ARG 31 21.206 -1.110 9.467
243 HG3 ARG 31 HG3 ARG 31 22.008 -0.205 8.184
244 HD2 ARG 31 HD2 ARG 31 20.005 -0.467 7.091
245 HD3 ARG 31 HD3 ARG 31 20.624 -2.091 6.731
246 HE ARG 31 HE ARG 31 19.441 -2.893 8.775
247 HH11 ARG 31 HH11 ARG 31 17.316 -1.906 6.920
248 HH12 ARG 31 HH12 ARG 31 16.371 -0.881 7.948
249 HH21 ARG 31 HH21 ARG 31 18.829 -0.639 10.397
250 HH22 ARG 31 HH22 ARG 31 17.232 -0.161 9.929
Start of MODEL 10
1 HA ASP 1 HA ASP 1 -19.467 12.709 -13.916
2 HB2 ASP 1 HB2 ASP 1 -21.149 10.399 -14.143
3 HB3 ASP 1 HB3 ASP 1 -20.197 10.239 -12.667
4 H THR 2 H THR 2 -18.490 11.675 -11.693
5 HA THR 2 HA THR 2 -15.720 10.957 -12.357
6 HB THR 2 HB THR 2 -16.418 12.605 -10.598
7 HG1 THR 2 HG1 THR 2 -14.817 11.995 -9.263
8 HG21 THR 2 HG21 THR 2 -17.830 12.071 -8.915
9 HG22 THR 2 HG22 THR 2 -16.994 10.552 -8.590
10 HG23 THR 2 HG23 THR 2 -18.220 10.630 -9.855
11 H GLU 3 H GLU 3 -14.704 8.981 -11.887
12 HA GLU 3 HA GLU 3 -16.118 6.829 -10.460
13 HB2 GLU 3 HB2 GLU 3 -16.951 7.078 -12.932
14 HB3 GLU 3 HB3 GLU 3 -15.403 6.342 -13.350
15 HG2 GLU 3 HG2 GLU 3 -16.131 4.298 -12.742
16 HG3 GLU 3 HG3 GLU 3 -16.667 4.897 -11.173
17 H ILE 4 H ILE 4 -13.589 8.130 -10.022
18 HA ILE 4 HA ILE 4 -11.822 5.801 -9.957
19 HB ILE 4 HB ILE 4 -11.568 6.513 -12.289
20 HG12 ILE 4 HG12 ILE 4 -9.104 7.538 -10.889
21 HG13 ILE 4 HG13 ILE 4 -9.557 5.838 -10.767
22 HG21 ILE 4 HG21 ILE 4 -12.233 8.939 -11.756
23 HG22 ILE 4 HG22 ILE 4 -10.950 8.711 -12.944
24 HG23 ILE 4 HG23 ILE 4 -10.548 9.178 -11.292
25 HD11 ILE 4 HD11 ILE 4 -9.505 5.598 -13.187
26 HD12 ILE 4 HD12 ILE 4 -7.976 6.298 -12.654
27 HD13 ILE 4 HD13 ILE 4 -9.208 7.326 -13.386
28 H ILE 5 H ILE 5 -12.036 9.364 -9.637
29 HA ILE 5 HA ILE 5 -10.179 9.179 -7.290
30 HB ILE 5 HB ILE 5 -9.838 11.654 -7.805
31 HG12 ILE 5 HG12 ILE 5 -10.791 11.211 -10.581
32 HG13 ILE 5 HG13 ILE 5 -12.061 11.407 -9.374
33 HG21 ILE 5 HG21 ILE 5 -8.184 10.015 -8.492
34 HG22 ILE 5 HG22 ILE 5 -8.397 11.180 -9.799
35 HG23 ILE 5 HG23 ILE 5 -9.142 9.586 -9.909
36 HD11 ILE 5 HD11 ILE 5 -11.624 13.620 -10.037
37 HD12 ILE 5 HD12 ILE 5 -9.887 13.341 -10.148
38 HD13 ILE 5 HD13 ILE 5 -10.663 13.452 -8.568
39 H GLY 6 H GLY 6 -11.245 9.348 -5.373
40 HA2 GLY 6 HA2 GLY 6 -13.307 11.416 -5.011
41 HA3 GLY 6 HA3 GLY 6 -13.872 9.757 -4.811
42 H GLY 7 H GLY 7 -13.322 8.636 -2.932
43 HA2 GLY 7 HA2 GLY 7 -11.820 10.219 -0.883
44 HA3 GLY 7 HA3 GLY 7 -13.101 9.070 -0.499
45 H LEU 8 H LEU 8 -10.281 8.762 -2.676
46 HA LEU 8 HA LEU 8 -8.643 7.071 -2.814
47 HB2 LEU 8 HB2 LEU 8 -8.987 7.614 0.144
48 HB3 LEU 8 HB3 LEU 8 -7.729 6.539 -0.464
49 HG LEU 8 HG LEU 8 -7.547 8.808 -2.093
50 HD11 LEU 8 HD11 LEU 8 -7.899 9.595 0.817
51 HD12 LEU 8 HD12 LEU 8 -8.984 10.031 -0.503
52 HD13 LEU 8 HD13 LEU 8 -7.338 10.660 -0.471
53 HD21 LEU 8 HD21 LEU 8 -5.683 7.435 -1.235
54 HD22 LEU 8 HD22 LEU 8 -5.964 8.063 0.389
55 HD23 LEU 8 HD23 LEU 8 -5.410 9.143 -0.890
56 H THR 9 H THR 9 -10.928 5.850 -3.427
57 HA THR 9 HA THR 9 -11.535 3.649 -1.549
58 HB THR 9 HB THR 9 -13.101 3.074 -3.538
59 HG1 THR 9 HG1 THR 9 -12.201 4.188 -5.180
60 HG21 THR 9 HG21 THR 9 -14.583 5.062 -2.978
61 HG22 THR 9 HG22 THR 9 -13.249 5.673 -2.000
62 HG23 THR 9 HG23 THR 9 -14.007 4.133 -1.594
63 H ILE 10 H ILE 10 -8.942 3.307 -2.102
64 HA ILE 10 HA ILE 10 -8.378 1.784 -4.517
65 HB ILE 10 HB ILE 10 -6.222 1.348 -3.315
66 HG12 ILE 10 HG12 ILE 10 -6.843 3.149 -1.082
67 HG13 ILE 10 HG13 ILE 10 -7.768 1.649 -1.022
68 HG21 ILE 10 HG21 ILE 10 -7.029 3.631 -4.446
69 HG22 ILE 10 HG22 ILE 10 -5.458 3.494 -3.655
70 HG23 ILE 10 HG23 ILE 10 -6.815 4.228 -2.800
71 HD11 ILE 10 HD11 ILE 10 -5.394 1.714 0.075
72 HD12 ILE 10 HD12 ILE 10 -4.815 1.567 -1.584
73 HD13 ILE 10 HD13 ILE 10 -5.848 0.314 -0.897
74 HA PRO 11 HA PRO 11 -9.688 -2.203 -3.196
75 HB2 PRO 11 HB2 PRO 11 -7.907 -3.797 -4.531
76 HB3 PRO 11 HB3 PRO 11 -9.237 -2.945 -5.339
77 HG2 PRO 11 HG2 PRO 11 -6.352 -2.239 -5.189
78 HG3 PRO 11 HG3 PRO 11 -7.486 -2.074 -6.538
79 HD2 PRO 11 HD2 PRO 11 -6.718 0.004 -4.943
80 HD3 PRO 11 HD3 PRO 11 -8.275 -0.060 -5.797
81 HA PRO 12 HA PRO 12 -7.138 -3.234 0.259
82 HB2 PRO 12 HB2 PRO 12 -8.089 -5.745 0.805
83 HB3 PRO 12 HB3 PRO 12 -8.987 -4.261 1.178
84 HG2 PRO 12 HG2 PRO 12 -9.306 -6.139 -1.112
85 HG3 PRO 12 HG3 PRO 12 -10.541 -5.303 -0.158
86 HD2 PRO 12 HD2 PRO 12 -9.768 -4.476 -2.625
87 HD3 PRO 12 HD3 PRO 12 -10.361 -3.365 -1.371
88 H VAL 13 H VAL 13 -7.279 -5.435 -2.518
89 HA VAL 13 HA VAL 13 -5.157 -7.205 -1.782
90 HB VAL 13 HB VAL 13 -6.830 -7.499 -3.625
91 HG11 VAL 13 HG11 VAL 13 -6.540 -5.083 -4.439
92 HG12 VAL 13 HG12 VAL 13 -6.645 -6.323 -5.687
93 HG13 VAL 13 HG13 VAL 13 -5.078 -5.646 -5.249
94 HG21 VAL 13 HG21 VAL 13 -3.930 -7.606 -4.513
95 HG22 VAL 13 HG22 VAL 13 -5.260 -8.525 -5.218
96 HG23 VAL 13 HG23 VAL 13 -4.751 -8.842 -3.559
97 H VAL 14 H VAL 14 -5.096 -4.015 -3.386
98 HA VAL 14 HA VAL 14 -2.265 -4.060 -4.018
99 HB VAL 14 HB VAL 14 -4.330 -1.856 -3.676
100 HG11 VAL 14 HG11 VAL 14 -2.634 -0.541 -5.093
101 HG12 VAL 14 HG12 VAL 14 -1.456 -1.763 -4.614
102 HG13 VAL 14 HG13 VAL 14 -2.234 -0.762 -3.389
103 HG21 VAL 14 HG21 VAL 14 -3.080 -2.893 -6.227
104 HG22 VAL 14 HG22 VAL 14 -4.558 -1.949 -6.041
105 HG23 VAL 14 HG23 VAL 14 -4.521 -3.639 -5.537
106 H ALA 15 H ALA 15 -4.183 -2.711 -1.317
107 HA ALA 15 HA ALA 15 -2.032 -1.477 0.111
108 HB1 ALA 15 HB1 ALA 15 -4.674 -2.698 0.972
109 HB2 ALA 15 HB2 ALA 15 -4.370 -1.009 0.568
110 HB3 ALA 15 HB3 ALA 15 -3.666 -1.707 2.026
111 H LEU 16 H LEU 16 -3.323 -4.802 0.175
112 HA LEU 16 HA LEU 16 -1.800 -5.765 2.414
113 HB2 LEU 16 HB2 LEU 16 -3.824 -6.776 1.208
114 HB3 LEU 16 HB3 LEU 16 -2.690 -7.329 -0.025
115 HG LEU 16 HG LEU 16 -1.838 -7.945 2.726
116 HD11 LEU 16 HD11 LEU 16 -3.458 -9.760 3.053
117 HD12 LEU 16 HD12 LEU 16 -4.300 -9.295 1.575
118 HD13 LEU 16 HD13 LEU 16 -4.294 -8.210 2.965
119 HD21 LEU 16 HD21 LEU 16 -0.886 -8.769 0.488
120 HD22 LEU 16 HD22 LEU 16 -2.314 -9.800 0.382
121 HD23 LEU 16 HD23 LEU 16 -1.177 -10.002 1.715
122 H VAL 17 H VAL 17 -1.123 -5.720 -1.097
123 HA VAL 17 HA VAL 17 1.349 -7.170 -1.026
124 HB VAL 17 HB VAL 17 0.157 -5.072 -2.866
125 HG11 VAL 17 HG11 VAL 17 2.593 -6.811 -3.378
126 HG12 VAL 17 HG12 VAL 17 2.647 -5.077 -3.057
127 HG13 VAL 17 HG13 VAL 17 1.858 -5.680 -4.514
128 HG21 VAL 17 HG21 VAL 17 0.551 -8.059 -3.222
129 HG22 VAL 17 HG22 VAL 17 -0.367 -6.979 -4.270
130 HG23 VAL 17 HG23 VAL 17 -0.945 -7.329 -2.641
131 H VAL 18 H VAL 18 0.597 -3.719 -0.571
132 HA VAL 18 HA VAL 18 3.380 -2.854 -0.491
133 HB VAL 18 HB VAL 18 0.764 -1.612 0.434
134 HG11 VAL 18 HG11 VAL 18 2.131 0.543 0.185
135 HG12 VAL 18 HG12 VAL 18 3.562 -0.488 0.192
136 HG13 VAL 18 HG13 VAL 18 2.495 -0.451 1.596
137 HG21 VAL 18 HG21 VAL 18 2.077 -1.958 -2.155
138 HG22 VAL 18 HG22 VAL 18 1.756 -0.262 -1.798
139 HG23 VAL 18 HG23 VAL 18 0.433 -1.427 -1.798
140 H MET 19 H MET 19 0.988 -3.907 1.913
141 HA MET 19 HA MET 19 2.327 -3.061 4.291
142 HB2 MET 19 HB2 MET 19 0.360 -5.201 3.518
143 HB3 MET 19 HB3 MET 19 1.008 -5.181 5.157
144 HG2 MET 19 HG2 MET 19 0.228 -2.899 5.491
145 HG3 MET 19 HG3 MET 19 -0.307 -2.803 3.812
146 HE1 MET 19 HE1 MET 19 -2.639 -4.009 7.351
147 HE2 MET 19 HE2 MET 19 -1.948 -2.482 6.809
148 HE3 MET 19 HE3 MET 19 -0.884 -3.790 7.319
149 H SER 20 H SER 20 2.579 -6.110 2.426
150 HA SER 20 HA SER 20 4.590 -7.254 4.219
151 HB2 SER 20 HB2 SER 20 4.613 -9.026 2.484
152 HB3 SER 20 HB3 SER 20 2.966 -8.595 2.936
153 HG SER 20 HG SER 20 4.393 -8.078 0.585
154 H ARG 21 H ARG 21 4.668 -5.079 1.504
155 HA ARG 21 HA ARG 21 7.285 -5.688 0.471
156 HB2 ARG 21 HB2 ARG 21 5.256 -3.526 0.318
157 HB3 ARG 21 HB3 ARG 21 6.905 -3.057 -0.092
158 HG2 ARG 21 HG2 ARG 21 5.654 -5.540 -1.263
159 HG3 ARG 21 HG3 ARG 21 5.405 -3.957 -2.001
160 HD2 ARG 21 HD2 ARG 21 7.875 -3.662 -2.172
161 HD3 ARG 21 HD3 ARG 21 8.094 -5.288 -1.497
162 HE ARG 21 HE ARG 21 6.271 -5.190 -3.793
163 HH11 ARG 21 HH11 ARG 21 8.801 -4.177 -4.921
164 HH12 ARG 21 HH12 ARG 21 9.656 -5.626 -5.330
165 HH21 ARG 21 HH21 ARG 21 7.675 -7.667 -3.330
166 HH22 ARG 21 HH22 ARG 21 9.013 -7.610 -4.426
167 H PHE 22 H PHE 22 6.309 -4.163 3.429
168 HA PHE 22 HA PHE 22 8.342 -2.260 3.891
169 HB2 PHE 22 HB2 PHE 22 7.599 -2.372 6.106
170 HB3 PHE 22 HB3 PHE 22 6.229 -3.066 5.246
171 HD1 PHE 22 HD1 PHE 22 6.139 -5.639 5.007
172 HD2 PHE 22 HD2 PHE 22 8.731 -3.608 7.763
173 HE1 PHE 22 HE1 PHE 22 6.388 -7.731 6.311
174 HE2 PHE 22 HE2 PHE 22 8.983 -5.702 9.067
175 HZ PHE 22 HZ PHE 22 7.811 -7.763 8.341
176 H GLY 23 H GLY 23 8.531 -5.793 4.003
177 HA2 GLY 23 HA2 GLY 23 11.241 -5.726 5.180
178 HA3 GLY 23 HA3 GLY 23 10.327 -7.178 4.761
179 H PHE 24 H PHE 24 9.658 -6.254 2.058
180 HA PHE 24 HA PHE 24 11.864 -7.305 0.586
181 HB2 PHE 24 HB2 PHE 24 9.245 -6.671 0.123
182 HB3 PHE 24 HB3 PHE 24 10.057 -5.385 -0.768
183 HD1 PHE 24 HD1 PHE 24 11.802 -5.982 -2.494
184 HD2 PHE 24 HD2 PHE 24 9.239 -8.916 -0.685
185 HE1 PHE 24 HE2 PHE 24 12.333 -7.571 -4.321
186 HE2 PHE 24 HE1 PHE 24 9.770 -10.506 -2.513
187 HZ PHE 24 HZ PHE 24 11.316 -9.833 -4.330
188 H PHE 25 H PHE 25 10.774 -3.893 0.894
189 HA PHE 25 HA PHE 25 12.979 -2.748 -0.556
190 HB2 PHE 25 HB2 PHE 25 10.629 -1.846 0.255
191 HB3 PHE 25 HB3 PHE 25 11.540 -1.336 1.676
192 HD1 PHE 25 HD1 PHE 25 13.595 0.133 1.356
193 HD2 PHE 25 HD2 PHE 25 10.773 -0.641 -1.788
194 HE1 PHE 25 HE2 PHE 25 14.444 2.101 0.110
195 HE2 PHE 25 HE1 PHE 25 11.622 1.327 -3.034
196 HZ PHE 25 HZ PHE 25 13.458 2.698 -2.085
197 H ALA 26 H ALA 26 12.539 -3.561 2.877
198 HA ALA 26 HA ALA 26 14.817 -2.177 3.931
199 HB1 ALA 26 HB1 ALA 26 14.497 -3.796 5.810
200 HB2 ALA 26 HB2 ALA 26 13.384 -4.711 4.793
201 HB3 ALA 26 HB3 ALA 26 12.979 -3.067 5.286
202 H HIS 27 H HIS 27 14.457 -5.454 2.553
203 HA HIS 27 HA HIS 27 17.419 -5.834 2.807
204 HB2 HIS 27 HB2 HIS 27 15.463 -7.401 3.726
205 HB3 HIS 27 HB3 HIS 27 15.495 -8.013 2.073
206 HD1 HIS 27 HD1 HIS 27 17.992 -8.751 1.210
207 HD2 HIS 27 HD2 HIS 27 17.447 -8.475 5.334
208 HE1 HIS 27 HE1 HIS 27 19.899 -10.036 2.274
209 H LEU 28 H LEU 28 16.894 -4.144 0.768
210 HA LEU 28 HA LEU 28 16.978 -5.860 -1.700
211 HB2 LEU 28 HB2 LEU 28 15.151 -3.856 -0.920
212 HB3 LEU 28 HB3 LEU 28 16.174 -3.104 -2.144
213 HG LEU 28 HG LEU 28 14.892 -5.820 -2.520
214 HD11 LEU 28 HD11 LEU 28 13.233 -4.619 -3.936
215 HD12 LEU 28 HD12 LEU 28 13.909 -3.084 -3.390
216 HD13 LEU 28 HD13 LEU 28 13.116 -4.159 -2.238
217 HD21 LEU 28 HD21 LEU 28 16.057 -3.803 -4.470
218 HD22 LEU 28 HD22 LEU 28 15.397 -5.383 -4.889
219 HD23 LEU 28 HD23 LEU 28 16.870 -5.269 -3.927
220 H LEU 29 H LEU 29 17.880 -2.580 -0.523
221 HA LEU 29 HA LEU 29 20.566 -2.932 -1.784
222 HB2 LEU 29 HB2 LEU 29 18.911 -1.774 -3.307
223 HB3 LEU 29 HB3 LEU 29 18.779 -0.497 -2.098
224 HG LEU 29 HG LEU 29 21.553 -1.190 -2.829
225 HD11 LEU 29 HD11 LEU 29 20.685 -1.446 -5.044
226 HD12 LEU 29 HD12 LEU 29 21.344 0.189 -4.967
227 HD13 LEU 29 HD13 LEU 29 19.603 -0.067 -4.852
228 HD21 LEU 29 HD21 LEU 29 20.917 0.726 -1.392
229 HD22 LEU 29 HD22 LEU 29 19.989 1.411 -2.726
230 HD23 LEU 29 HD23 LEU 29 21.742 1.270 -2.852
231 HA PRO 30 HA PRO 30 21.583 -1.176 2.182
232 HB2 PRO 30 HB2 PRO 30 24.285 -0.989 1.792
233 HB3 PRO 30 HB3 PRO 30 23.463 -2.523 2.145
234 HG2 PRO 30 HG2 PRO 30 24.448 -1.455 -0.447
235 HG3 PRO 30 HG3 PRO 30 24.439 -3.117 0.161
236 HD2 PRO 30 HD2 PRO 30 22.635 -2.129 -1.654
237 HD3 PRO 30 HD3 PRO 30 22.320 -3.509 -0.581
238 H ARG 31 H ARG 31 21.356 0.970 2.699
239 HA ARG 31 HA ARG 31 21.518 3.320 2.592
240 HB2 ARG 31 HB2 ARG 31 23.972 2.409 2.411
241 HB3 ARG 31 HB3 ARG 31 23.853 2.918 0.727
242 HG2 ARG 31 HG2 ARG 31 22.836 5.096 2.117
243 HG3 ARG 31 HG3 ARG 31 24.161 4.544 3.143
244 HD2 ARG 31 HD2 ARG 31 24.438 5.021 0.154
245 HD3 ARG 31 HD3 ARG 31 24.900 6.203 1.395
246 HE ARG 31 HE ARG 31 26.052 3.435 1.404
247 HH11 ARG 31 HH11 ARG 31 26.618 5.651 3.477
248 HH12 ARG 31 HH12 ARG 31 28.174 6.192 2.945
249 HH21 ARG 31 HH21 ARG 31 27.930 4.651 -0.165
250 HH22 ARG 31 HH22 ARG 31 28.922 5.624 0.871
Start of MODEL 11
1 HA ASP 1 HA ASP 1 1.145 7.330 3.972
2 HB2 ASP 1 HB2 ASP 1 2.419 9.221 2.052
3 HB3 ASP 1 HB3 ASP 1 0.954 9.781 2.856
4 H THR 2 H THR 2 -1.086 8.195 3.821
5 HA THR 2 HA THR 2 -2.487 7.179 1.387
6 HB THR 2 HB THR 2 -3.619 8.014 4.077
7 HG1 THR 2 HG1 THR 2 -2.870 6.226 4.857
8 HG21 THR 2 HG21 THR 2 -5.303 6.187 3.325
9 HG22 THR 2 HG22 THR 2 -4.610 6.421 1.720
10 HG23 THR 2 HG23 THR 2 -5.390 7.769 2.548
11 H GLU 3 H GLU 3 -2.607 8.861 -0.098
12 HA GLU 3 HA GLU 3 -3.294 11.600 0.871
13 HB2 GLU 3 HB2 GLU 3 -2.162 10.417 -1.676
14 HB3 GLU 3 HB3 GLU 3 -2.682 12.100 -1.582
15 HG2 GLU 3 HG2 GLU 3 -1.120 11.726 0.711
16 HG3 GLU 3 HG3 GLU 3 -0.248 10.870 -0.561
17 H ILE 4 H ILE 4 -5.554 10.681 1.295
18 HA ILE 4 HA ILE 4 -7.825 10.446 0.697
19 HB ILE 4 HB ILE 4 -6.933 12.155 -1.650
20 HG12 ILE 4 HG12 ILE 4 -7.937 13.745 0.486
21 HG13 ILE 4 HG13 ILE 4 -6.724 12.672 1.182
22 HG21 ILE 4 HG21 ILE 4 -9.519 12.253 -0.083
23 HG22 ILE 4 HG22 ILE 4 -9.322 11.243 -1.515
24 HG23 ILE 4 HG23 ILE 4 -9.167 12.995 -1.643
25 HD11 ILE 4 HD11 ILE 4 -5.782 14.834 0.303
26 HD12 ILE 4 HD12 ILE 4 -6.272 14.329 -1.314
27 HD13 ILE 4 HD13 ILE 4 -5.066 13.397 -0.426
28 H ILE 5 H ILE 5 -6.838 8.120 0.103
29 HA ILE 5 HA ILE 5 -7.349 7.566 -2.799
30 HB ILE 5 HB ILE 5 -5.794 6.041 -0.682
31 HG12 ILE 5 HG12 ILE 5 -4.702 8.145 -1.368
32 HG13 ILE 5 HG13 ILE 5 -3.814 6.755 -1.990
33 HG21 ILE 5 HG21 ILE 5 -6.443 4.369 -2.177
34 HG22 ILE 5 HG22 ILE 5 -4.925 4.911 -2.893
35 HG23 ILE 5 HG23 ILE 5 -6.460 5.469 -3.557
36 HD11 ILE 5 HD11 ILE 5 -3.935 7.875 -3.972
37 HD12 ILE 5 HD12 ILE 5 -5.316 8.842 -3.454
38 HD13 ILE 5 HD13 ILE 5 -5.561 7.197 -4.040
39 H GLY 6 H GLY 6 -8.936 7.408 0.123
40 HA2 GLY 6 HA2 GLY 6 -10.207 4.773 -0.370
41 HA3 GLY 6 HA3 GLY 6 -10.437 5.774 1.065
42 H GLY 7 H GLY 7 -10.947 6.083 -2.474
43 HA2 GLY 7 HA2 GLY 7 -13.438 7.615 -1.898
44 HA3 GLY 7 HA3 GLY 7 -12.591 7.593 -3.446
45 H LEU 8 H LEU 8 -12.282 4.897 -3.932
46 HA LEU 8 HA LEU 8 -15.124 3.971 -4.155
47 HB2 LEU 8 HB2 LEU 8 -13.214 4.521 -6.074
48 HB3 LEU 8 HB3 LEU 8 -13.057 2.775 -5.890
49 HG LEU 8 HG LEU 8 -14.713 3.314 -7.627
50 HD11 LEU 8 HD11 LEU 8 -16.542 1.949 -6.795
51 HD12 LEU 8 HD12 LEU 8 -16.086 2.287 -5.126
52 HD13 LEU 8 HD13 LEU 8 -15.029 1.314 -6.149
53 HD21 LEU 8 HD21 LEU 8 -15.335 5.534 -6.485
54 HD22 LEU 8 HD22 LEU 8 -16.401 4.577 -5.458
55 HD23 LEU 8 HD23 LEU 8 -16.659 4.616 -7.201
56 H THR 9 H THR 9 -13.984 3.361 -1.746
57 HA THR 9 HA THR 9 -13.131 1.636 -0.348
58 HB THR 9 HB THR 9 -14.568 -0.435 -0.774
59 HG1 THR 9 HG1 THR 9 -14.744 -0.189 -3.027
60 HG21 THR 9 HG21 THR 9 -16.678 0.771 -0.277
61 HG22 THR 9 HG22 THR 9 -15.900 2.287 -0.730
62 HG23 THR 9 HG23 THR 9 -15.326 1.385 0.673
63 H ILE 10 H ILE 10 -10.910 1.695 -1.367
64 HA ILE 10 HA ILE 10 -10.098 -0.018 -3.497
65 HB ILE 10 HB ILE 10 -7.831 0.239 -2.409
66 HG12 ILE 10 HG12 ILE 10 -9.090 2.082 -0.408
67 HG13 ILE 10 HG13 ILE 10 -9.069 0.355 -0.053
68 HG21 ILE 10 HG21 ILE 10 -7.753 2.681 -2.700
69 HG22 ILE 10 HG22 ILE 10 -9.512 2.756 -2.607
70 HG23 ILE 10 HG23 ILE 10 -8.735 1.934 -3.960
71 HD11 ILE 10 HD11 ILE 10 -6.699 2.158 -0.592
72 HD12 ILE 10 HD12 ILE 10 -6.580 0.397 -0.588
73 HD13 ILE 10 HD13 ILE 10 -7.053 1.253 0.880
74 HA PRO 11 HA PRO 11 -10.417 -4.008 -1.652
75 HB2 PRO 11 HB2 PRO 11 -8.668 -5.366 -3.266
76 HB3 PRO 11 HB3 PRO 11 -10.286 -4.863 -3.795
77 HG2 PRO 11 HG2 PRO 11 -7.642 -3.603 -4.335
78 HG3 PRO 11 HG3 PRO 11 -9.035 -3.811 -5.410
79 HD2 PRO 11 HD2 PRO 11 -8.437 -1.460 -4.176
80 HD3 PRO 11 HD3 PRO 11 -10.091 -1.938 -4.619
81 HA PRO 12 HA PRO 12 -7.003 -4.470 1.097
82 HB2 PRO 12 HB2 PRO 12 -7.053 -7.159 1.600
83 HB3 PRO 12 HB3 PRO 12 -8.260 -6.031 2.244
84 HG2 PRO 12 HG2 PRO 12 -8.453 -7.893 -0.064
85 HG3 PRO 12 HG3 PRO 12 -9.679 -7.442 1.130
86 HD2 PRO 12 HD2 PRO 12 -9.571 -6.431 -1.412
87 HD3 PRO 12 HD3 PRO 12 -10.314 -5.587 -0.036
88 H VAL 13 H VAL 13 -7.016 -6.216 -1.923
89 HA VAL 13 HA VAL 13 -4.491 -7.548 -1.772
90 HB VAL 13 HB VAL 13 -6.306 -7.906 -3.454
91 HG11 VAL 13 HG11 VAL 13 -6.651 -5.374 -3.780
92 HG12 VAL 13 HG12 VAL 13 -6.708 -6.381 -5.227
93 HG13 VAL 13 HG13 VAL 13 -5.258 -5.445 -4.860
94 HG21 VAL 13 HG21 VAL 13 -4.006 -8.703 -3.888
95 HG22 VAL 13 HG22 VAL 13 -3.615 -7.157 -4.641
96 HG23 VAL 13 HG23 VAL 13 -4.808 -8.223 -5.383
97 H VAL 14 H VAL 14 -5.302 -4.204 -2.799
98 HA VAL 14 HA VAL 14 -2.576 -3.576 -3.603
99 HB VAL 14 HB VAL 14 -3.475 -1.229 -3.611
100 HG11 VAL 14 HG11 VAL 14 -3.790 -2.877 -5.506
101 HG12 VAL 14 HG12 VAL 14 -4.984 -1.581 -5.445
102 HG13 VAL 14 HG13 VAL 14 -5.404 -3.194 -4.869
103 HG21 VAL 14 HG21 VAL 14 -6.143 -2.423 -2.859
104 HG22 VAL 14 HG22 VAL 14 -5.679 -0.725 -2.926
105 HG23 VAL 14 HG23 VAL 14 -5.070 -1.752 -1.631
106 H ALA 15 H ALA 15 -4.421 -3.256 -0.584
107 HA ALA 15 HA ALA 15 -2.489 -1.623 0.819
108 HB1 ALA 15 HB1 ALA 15 -4.924 -1.995 1.380
109 HB2 ALA 15 HB2 ALA 15 -3.838 -2.224 2.752
110 HB3 ALA 15 HB3 ALA 15 -4.497 -3.623 1.905
111 H LEU 16 H LEU 16 -2.998 -5.137 0.505
112 HA LEU 16 HA LEU 16 -1.017 -5.972 2.415
113 HB2 LEU 16 HB2 LEU 16 -2.945 -7.246 1.238
114 HB3 LEU 16 HB3 LEU 16 -1.813 -7.452 -0.100
115 HG LEU 16 HG LEU 16 -0.176 -8.301 1.767
116 HD11 LEU 16 HD11 LEU 16 -1.437 -7.786 3.729
117 HD12 LEU 16 HD12 LEU 16 -1.547 -9.536 3.541
118 HD13 LEU 16 HD13 LEU 16 -2.901 -8.512 3.065
119 HD21 LEU 16 HD21 LEU 16 -1.308 -10.612 1.578
120 HD22 LEU 16 HD22 LEU 16 -0.865 -9.814 0.070
121 HD23 LEU 16 HD23 LEU 16 -2.540 -9.793 0.619
122 H VAL 17 H VAL 17 -0.851 -5.307 -1.093
123 HA VAL 17 HA VAL 17 1.867 -6.166 -1.486
124 HB VAL 17 HB VAL 17 -0.012 -4.244 -2.886
125 HG11 VAL 17 HG11 VAL 17 2.841 -4.976 -3.544
126 HG12 VAL 17 HG12 VAL 17 2.081 -3.385 -3.556
127 HG13 VAL 17 HG13 VAL 17 1.699 -4.554 -4.820
128 HG21 VAL 17 HG21 VAL 17 -0.491 -6.705 -2.911
129 HG22 VAL 17 HG22 VAL 17 1.074 -6.965 -3.679
130 HG23 VAL 17 HG23 VAL 17 -0.177 -6.048 -4.516
131 H VAL 18 H VAL 18 0.438 -3.072 -0.456
132 HA VAL 18 HA VAL 18 2.781 -1.439 -0.646
133 HB VAL 18 HB VAL 18 0.350 -1.386 1.177
134 HG11 VAL 18 HG11 VAL 18 2.461 0.734 0.670
135 HG12 VAL 18 HG12 VAL 18 2.117 -0.059 2.208
136 HG13 VAL 18 HG13 VAL 18 0.928 1.030 1.491
137 HG21 VAL 18 HG21 VAL 18 0.656 0.646 -0.920
138 HG22 VAL 18 HG22 VAL 18 -0.730 -0.376 -0.543
139 HG23 VAL 18 HG23 VAL 18 0.571 -0.994 -1.561
140 H MET 19 H MET 19 1.478 -3.314 2.133
141 HA MET 19 HA MET 19 3.783 -2.684 3.820
142 HB2 MET 19 HB2 MET 19 2.637 -4.098 5.427
143 HB3 MET 19 HB3 MET 19 1.427 -3.120 4.602
144 HG2 MET 19 HG2 MET 19 0.812 -4.979 3.171
145 HG3 MET 19 HG3 MET 19 2.137 -5.958 3.802
146 HE1 MET 19 HE1 MET 19 -1.109 -3.972 6.009
147 HE2 MET 19 HE2 MET 19 -1.925 -5.136 4.969
148 HE3 MET 19 HE3 MET 19 -0.793 -3.982 4.269
149 H SER 20 H SER 20 2.832 -5.397 1.723
150 HA SER 20 HA SER 20 4.802 -7.295 2.610
151 HB2 SER 20 HB2 SER 20 3.313 -6.813 0.017
152 HB3 SER 20 HB3 SER 20 4.396 -8.185 0.231
153 HG SER 20 HG SER 20 1.915 -7.644 1.370
154 H ARG 21 H ARG 21 4.857 -4.839 0.002
155 HA ARG 21 HA ARG 21 7.521 -5.411 -0.927
156 HB2 ARG 21 HB2 ARG 21 5.724 -4.122 -2.116
157 HB3 ARG 21 HB3 ARG 21 5.957 -2.807 -0.963
158 HG2 ARG 21 HG2 ARG 21 8.424 -3.806 -2.271
159 HG3 ARG 21 HG3 ARG 21 7.286 -2.973 -3.332
160 HD2 ARG 21 HD2 ARG 21 8.072 -1.774 -0.668
161 HD3 ARG 21 HD3 ARG 21 9.052 -1.508 -2.122
162 HE ARG 21 HE ARG 21 6.200 -0.682 -1.812
163 HH11 ARG 21 HH11 ARG 21 6.717 -1.315 -4.629
164 HH12 ARG 21 HH12 ARG 21 7.348 0.168 -5.263
165 HH21 ARG 21 HH21 ARG 21 8.090 1.488 -2.132
166 HH22 ARG 21 HH22 ARG 21 8.130 1.763 -3.842
167 H PHE 22 H PHE 22 6.240 -3.261 1.608
168 HA PHE 22 HA PHE 22 8.614 -1.795 2.200
169 HB2 PHE 22 HB2 PHE 22 6.157 -1.543 2.995
170 HB3 PHE 22 HB3 PHE 22 6.576 -2.733 4.229
171 HD1 PHE 22 HD1 PHE 22 7.257 0.669 2.950
172 HD2 PHE 22 HD2 PHE 22 8.087 -2.191 6.046
173 HE1 PHE 22 HE2 PHE 22 8.307 2.453 4.317
174 HE2 PHE 22 HE1 PHE 22 9.136 -0.408 7.413
175 HZ PHE 22 HZ PHE 22 9.246 1.914 6.549
176 H GLY 23 H GLY 23 7.427 -4.933 3.457
177 HA2 GLY 23 HA2 GLY 23 9.576 -5.347 5.321
178 HA3 GLY 23 HA3 GLY 23 8.535 -6.614 4.670
179 H PHE 24 H PHE 24 9.079 -6.390 1.941
180 HA PHE 24 HA PHE 24 11.533 -7.859 1.661
181 HB2 PHE 24 HB2 PHE 24 9.405 -6.677 -0.038
182 HB3 PHE 24 HB3 PHE 24 10.953 -6.929 -0.845
183 HD1 PHE 24 HD1 PHE 24 8.358 -8.643 1.223
184 HD2 PHE 24 HD2 PHE 24 11.642 -9.093 -1.509
185 HE1 PHE 24 HE2 PHE 24 7.869 -11.067 1.035
186 HE2 PHE 24 HE1 PHE 24 11.154 -11.516 -1.697
187 HZ PHE 24 HZ PHE 24 9.267 -12.503 -0.425
188 H PHE 25 H PHE 25 10.700 -4.442 1.042
189 HA PHE 25 HA PHE 25 13.204 -3.627 -0.083
190 HB2 PHE 25 HB2 PHE 25 10.903 -2.477 -0.005
191 HB3 PHE 25 HB3 PHE 25 11.351 -1.942 1.615
192 HD1 PHE 25 HD1 PHE 25 12.439 -1.884 -1.957
193 HD2 PHE 25 HD2 PHE 25 12.803 -0.096 1.932
194 HE1 PHE 25 HE1 PHE 25 13.757 -0.025 -2.934
195 HE2 PHE 25 HE2 PHE 25 14.120 1.762 0.954
196 HZ PHE 25 HZ PHE 25 14.598 1.799 -1.479
197 H ALA 26 H ALA 26 12.292 -4.295 3.241
198 HA ALA 26 HA ALA 26 14.559 -2.768 4.371
199 HB1 ALA 26 HB1 ALA 26 12.341 -2.905 5.460
200 HB2 ALA 26 HB2 ALA 26 13.596 -3.592 6.491
201 HB3 ALA 26 HB3 ALA 26 12.516 -4.655 5.588
202 H HIS 27 H HIS 27 15.262 -4.952 2.519
203 HA HIS 27 HA HIS 27 17.272 -6.302 4.111
204 HB2 HIS 27 HB2 HIS 27 14.896 -7.394 4.543
205 HB3 HIS 27 HB3 HIS 27 15.210 -8.182 2.996
206 HD1 HIS 27 HD1 HIS 27 16.557 -7.922 6.512
207 HD2 HIS 27 HD2 HIS 27 17.229 -10.159 3.059
208 HE1 HIS 27 HE1 HIS 27 18.113 -9.809 7.172
209 H LEU 28 H LEU 28 15.312 -6.498 1.122
210 HA LEU 28 HA LEU 28 17.038 -7.988 -0.526
211 HB2 LEU 28 HB2 LEU 28 14.849 -6.038 -0.794
212 HB3 LEU 28 HB3 LEU 28 15.907 -6.112 -2.203
213 HG LEU 28 HG LEU 28 15.655 -8.648 -2.104
214 HD11 LEU 28 HD11 LEU 28 14.761 -8.548 0.296
215 HD12 LEU 28 HD12 LEU 28 13.879 -9.591 -0.818
216 HD13 LEU 28 HD13 LEU 28 13.237 -8.003 -0.403
217 HD21 LEU 28 HD21 LEU 28 13.212 -6.915 -2.595
218 HD22 LEU 28 HD22 LEU 28 13.388 -8.577 -3.160
219 HD23 LEU 28 HD23 LEU 28 14.464 -7.320 -3.770
220 H LEU 29 H LEU 29 17.201 -4.493 0.220
221 HA LEU 29 HA LEU 29 19.837 -4.437 -1.214
222 HB2 LEU 29 HB2 LEU 29 18.976 -1.820 -1.224
223 HB3 LEU 29 HB3 LEU 29 18.776 -2.942 -2.562
224 HG LEU 29 HG LEU 29 16.549 -3.610 -1.392
225 HD11 LEU 29 HD11 LEU 29 16.860 -2.515 0.738
226 HD12 LEU 29 HD12 LEU 29 15.581 -1.652 -0.113
227 HD13 LEU 29 HD13 LEU 29 17.208 -0.975 -0.047
228 HD21 LEU 29 HD21 LEU 29 16.886 -2.224 -3.508
229 HD22 LEU 29 HD22 LEU 29 16.714 -0.796 -2.489
230 HD23 LEU 29 HD23 LEU 29 15.379 -1.939 -2.639
231 HA PRO 30 HA PRO 30 21.162 -3.364 2.912
232 HB2 PRO 30 HB2 PRO 30 23.834 -3.200 2.322
233 HB3 PRO 30 HB3 PRO 30 22.988 -4.741 2.562
234 HG2 PRO 30 HG2 PRO 30 23.776 -3.387 0.033
235 HG3 PRO 30 HG3 PRO 30 23.790 -5.109 0.444
236 HD2 PRO 30 HD2 PRO 30 21.856 -3.936 -1.083
237 HD3 PRO 30 HD3 PRO 30 21.586 -5.389 -0.097
238 H ARG 31 H ARG 31 20.315 -1.241 3.083
239 HA ARG 31 HA ARG 31 21.728 0.976 1.670
240 HB2 ARG 31 HB2 ARG 31 19.171 0.840 3.305
241 HB3 ARG 31 HB3 ARG 31 19.744 2.270 2.449
242 HG2 ARG 31 HG2 ARG 31 19.797 0.133 0.580
243 HG3 ARG 31 HG3 ARG 31 18.247 0.037 1.414
244 HD2 ARG 31 HD2 ARG 31 17.746 1.558 -0.297
245 HD3 ARG 31 HD3 ARG 31 18.232 2.668 1.001
246 HE ARG 31 HE ARG 31 20.386 2.931 -0.075
247 HH11 ARG 31 HH11 ARG 31 18.626 3.287 -2.462
248 HH12 ARG 31 HH12 ARG 31 19.328 2.195 -3.607
249 HH21 ARG 31 HH21 ARG 31 21.128 0.429 -1.212
250 HH22 ARG 31 HH22 ARG 31 20.753 0.571 -2.898
Start of MODEL 12
1 HA ASP 1 HA ASP 1 -22.819 -14.226 12.023
2 HB2 ASP 1 HB2 ASP 1 -24.554 -13.576 9.688
3 HB3 ASP 1 HB3 ASP 1 -23.635 -15.079 9.587
4 H THR 2 H THR 2 -20.888 -15.211 11.451
5 HA THR 2 HA THR 2 -18.737 -15.426 10.506
6 HB THR 2 HB THR 2 -20.216 -14.463 8.031
7 HG1 THR 2 HG1 THR 2 -20.000 -17.074 9.130
8 HG21 THR 2 HG21 THR 2 -17.864 -14.637 7.606
9 HG22 THR 2 HG22 THR 2 -18.603 -16.091 6.936
10 HG23 THR 2 HG23 THR 2 -17.755 -16.165 8.481
11 H GLU 3 H GLU 3 -18.308 -13.400 11.903
12 HA GLU 3 HA GLU 3 -18.136 -10.813 10.545
13 HB2 GLU 3 HB2 GLU 3 -16.914 -11.768 13.159
14 HB3 GLU 3 HB3 GLU 3 -17.216 -10.096 12.691
15 HG2 GLU 3 HG2 GLU 3 -19.337 -12.227 13.125
16 HG3 GLU 3 HG3 GLU 3 -18.976 -10.892 14.218
17 H ILE 4 H ILE 4 -16.782 -12.018 8.748
18 HA ILE 4 HA ILE 4 -13.872 -12.019 9.481
19 HB ILE 4 HB ILE 4 -15.395 -13.325 7.197
20 HG12 ILE 4 HG12 ILE 4 -15.906 -14.359 9.368
21 HG13 ILE 4 HG13 ILE 4 -14.891 -15.436 8.410
22 HG21 ILE 4 HG21 ILE 4 -12.486 -13.447 8.033
23 HG22 ILE 4 HG22 ILE 4 -13.130 -12.867 6.498
24 HG23 ILE 4 HG23 ILE 4 -13.224 -14.581 6.902
25 HD11 ILE 4 HD11 ILE 4 -12.897 -14.339 9.645
26 HD12 ILE 4 HD12 ILE 4 -13.896 -15.471 10.557
27 HD13 ILE 4 HD13 ILE 4 -14.106 -13.735 10.778
28 H ILE 5 H ILE 5 -16.151 -11.069 6.875
29 HA ILE 5 HA ILE 5 -14.141 -9.029 5.986
30 HB ILE 5 HB ILE 5 -14.776 -10.990 4.472
31 HG12 ILE 5 HG12 ILE 5 -15.595 -8.376 3.223
32 HG13 ILE 5 HG13 ILE 5 -13.943 -8.600 3.800
33 HG21 ILE 5 HG21 ILE 5 -17.259 -10.774 5.181
34 HG22 ILE 5 HG22 ILE 5 -16.919 -11.082 3.478
35 HG23 ILE 5 HG23 ILE 5 -17.334 -9.454 4.014
36 HD11 ILE 5 HD11 ILE 5 -14.952 -10.865 2.216
37 HD12 ILE 5 HD12 ILE 5 -13.419 -10.003 2.097
38 HD13 ILE 5 HD13 ILE 5 -14.858 -9.354 1.311
39 H GLY 6 H GLY 6 -14.934 -6.920 5.539
40 HA2 GLY 6 HA2 GLY 6 -17.162 -6.020 7.129
41 HA3 GLY 6 HA3 GLY 6 -16.272 -5.035 5.968
42 H GLY 7 H GLY 7 -16.717 -6.325 3.584
43 HA2 GLY 7 HA2 GLY 7 -18.508 -7.179 2.160
44 HA3 GLY 7 HA3 GLY 7 -19.678 -6.587 3.338
45 H LEU 8 H LEU 8 -16.895 -4.910 1.846
46 HA LEU 8 HA LEU 8 -18.796 -2.770 0.960
47 HB2 LEU 8 HB2 LEU 8 -16.435 -2.770 2.470
48 HB3 LEU 8 HB3 LEU 8 -15.945 -2.156 0.894
49 HG LEU 8 HG LEU 8 -18.487 -1.066 1.975
50 HD11 LEU 8 HD11 LEU 8 -17.167 0.594 3.356
51 HD12 LEU 8 HD12 LEU 8 -15.770 -0.467 3.176
52 HD13 LEU 8 HD13 LEU 8 -17.209 -1.039 4.020
53 HD21 LEU 8 HD21 LEU 8 -17.504 -0.317 -0.165
54 HD22 LEU 8 HD22 LEU 8 -16.029 0.160 0.677
55 HD23 LEU 8 HD23 LEU 8 -17.543 1.004 1.003
56 H THR 9 H THR 9 -17.668 -5.422 -0.417
57 HA THR 9 HA THR 9 -17.129 -6.083 -2.608
58 HB THR 9 HB THR 9 -18.072 -3.288 -3.317
59 HG1 THR 9 HG1 THR 9 -19.898 -3.829 -2.471
60 HG21 THR 9 HG21 THR 9 -17.841 -5.924 -4.721
61 HG22 THR 9 HG22 THR 9 -17.475 -4.304 -5.315
62 HG23 THR 9 HG23 THR 9 -19.151 -4.834 -5.175
63 H ILE 10 H ILE 10 -15.022 -4.693 -0.986
64 HA ILE 10 HA ILE 10 -13.222 -4.010 -3.251
65 HB ILE 10 HB ILE 10 -12.450 -1.999 -1.854
66 HG12 ILE 10 HG12 ILE 10 -15.114 -1.720 -0.659
67 HG13 ILE 10 HG13 ILE 10 -14.201 -3.064 0.024
68 HG21 ILE 10 HG21 ILE 10 -15.308 -1.720 -2.768
69 HG22 ILE 10 HG22 ILE 10 -14.013 -2.028 -3.925
70 HG23 ILE 10 HG23 ILE 10 -13.980 -0.571 -2.931
71 HD11 ILE 10 HD11 ILE 10 -13.858 -0.791 1.144
72 HD12 ILE 10 HD12 ILE 10 -13.005 -0.309 -0.322
73 HD13 ILE 10 HD13 ILE 10 -12.393 -1.643 0.657
74 HA PRO 11 HA PRO 11 -10.956 -6.583 -0.321
75 HB2 PRO 11 HB2 PRO 11 -9.300 -7.701 -2.185
76 HB3 PRO 11 HB3 PRO 11 -10.955 -8.270 -1.899
77 HG2 PRO 11 HG2 PRO 11 -9.874 -6.659 -4.120
78 HG3 PRO 11 HG3 PRO 11 -11.246 -7.774 -4.092
79 HD2 PRO 11 HD2 PRO 11 -11.370 -4.970 -4.014
80 HD3 PRO 11 HD3 PRO 11 -12.703 -6.094 -3.683
81 HA PRO 12 HA PRO 12 -7.564 -3.713 0.005
82 HB2 PRO 12 HB2 PRO 12 -6.331 -4.851 2.161
83 HB3 PRO 12 HB3 PRO 12 -7.823 -3.903 2.286
84 HG2 PRO 12 HG2 PRO 12 -7.436 -6.837 2.380
85 HG3 PRO 12 HG3 PRO 12 -8.625 -5.824 3.211
86 HD2 PRO 12 HD2 PRO 12 -9.114 -7.359 0.949
87 HD3 PRO 12 HD3 PRO 12 -10.124 -6.016 1.521
88 H VAL 13 H VAL 13 -6.958 -5.003 -2.135
89 HA VAL 13 HA VAL 13 -4.802 -6.982 -1.873
90 HB VAL 13 HB VAL 13 -5.920 -5.432 -4.239
91 HG11 VAL 13 HG11 VAL 13 -4.124 -7.868 -4.073
92 HG12 VAL 13 HG12 VAL 13 -3.731 -6.308 -4.793
93 HG13 VAL 13 HG13 VAL 13 -4.938 -7.349 -5.549
94 HG21 VAL 13 HG21 VAL 13 -6.599 -8.103 -2.989
95 HG22 VAL 13 HG22 VAL 13 -7.030 -7.714 -4.654
96 HG23 VAL 13 HG23 VAL 13 -7.684 -6.754 -3.327
97 H VAL 14 H VAL 14 -5.024 -3.605 -3.085
98 HA VAL 14 HA VAL 14 -2.244 -3.231 -3.604
99 HB VAL 14 HB VAL 14 -4.168 -1.805 -4.355
100 HG11 VAL 14 HG11 VAL 14 -5.279 -1.773 -2.077
101 HG12 VAL 14 HG12 VAL 14 -5.166 -0.200 -2.866
102 HG13 VAL 14 HG13 VAL 14 -4.047 -0.618 -1.570
103 HG21 VAL 14 HG21 VAL 14 -1.815 -0.990 -4.427
104 HG22 VAL 14 HG22 VAL 14 -2.030 -0.294 -2.821
105 HG23 VAL 14 HG23 VAL 14 -2.970 0.320 -4.181
106 H ALA 15 H ALA 15 -4.117 -2.890 -0.602
107 HA ALA 15 HA ALA 15 -2.036 -1.625 0.959
108 HB1 ALA 15 HB1 ALA 15 -3.527 -2.451 2.844
109 HB2 ALA 15 HB2 ALA 15 -4.499 -3.270 1.621
110 HB3 ALA 15 HB3 ALA 15 -4.365 -1.511 1.608
111 H LEU 16 H LEU 16 -3.011 -5.015 0.427
112 HA LEU 16 HA LEU 16 -1.221 -6.212 2.333
113 HB2 LEU 16 HB2 LEU 16 -3.287 -7.122 1.034
114 HB3 LEU 16 HB3 LEU 16 -2.138 -7.464 -0.259
115 HG LEU 16 HG LEU 16 -0.739 -8.694 1.493
116 HD11 LEU 16 HD11 LEU 16 -3.331 -8.336 3.027
117 HD12 LEU 16 HD12 LEU 16 -1.726 -7.789 3.511
118 HD13 LEU 16 HD13 LEU 16 -2.090 -9.513 3.457
119 HD21 LEU 16 HD21 LEU 16 -2.206 -10.716 1.393
120 HD22 LEU 16 HD22 LEU 16 -2.067 -9.905 -0.166
121 HD23 LEU 16 HD23 LEU 16 -3.523 -9.698 0.809
122 H VAL 17 H VAL 17 -0.863 -5.374 -1.119
123 HA VAL 17 HA VAL 17 1.711 -6.620 -1.506
124 HB VAL 17 HB VAL 17 0.215 -4.352 -2.861
125 HG11 VAL 17 HG11 VAL 17 1.845 -4.938 -4.788
126 HG12 VAL 17 HG12 VAL 17 2.856 -5.654 -3.533
127 HG13 VAL 17 HG13 VAL 17 2.464 -3.936 -3.474
128 HG21 VAL 17 HG21 VAL 17 0.647 -7.287 -3.498
129 HG22 VAL 17 HG22 VAL 17 -0.090 -6.139 -4.616
130 HG23 VAL 17 HG23 VAL 17 -0.877 -6.504 -3.081
131 H VAL 18 H VAL 18 0.739 -3.290 -0.615
132 HA VAL 18 HA VAL 18 3.337 -2.110 -0.568
133 HB VAL 18 HB VAL 18 0.740 -1.598 0.909
134 HG11 VAL 18 HG11 VAL 18 3.365 -0.110 1.037
135 HG12 VAL 18 HG12 VAL 18 2.314 -0.601 2.367
136 HG13 VAL 18 HG13 VAL 18 1.831 0.719 1.303
137 HG21 VAL 18 HG21 VAL 18 2.115 0.027 -1.246
138 HG22 VAL 18 HG22 VAL 18 0.439 0.143 -0.706
139 HG23 VAL 18 HG23 VAL 18 0.976 -1.268 -1.617
140 H MET 19 H MET 19 1.531 -3.900 1.944
141 HA MET 19 HA MET 19 3.376 -3.486 4.103
142 HB2 MET 19 HB2 MET 19 0.936 -4.506 3.907
143 HB3 MET 19 HB3 MET 19 1.812 -6.027 3.735
144 HG2 MET 19 HG2 MET 19 3.083 -5.413 5.845
145 HG3 MET 19 HG3 MET 19 1.947 -4.079 6.049
146 HE1 MET 19 HE1 MET 19 0.249 -5.979 8.683
147 HE2 MET 19 HE2 MET 19 -0.020 -4.485 7.790
148 HE3 MET 19 HE3 MET 19 1.613 -4.929 8.278
149 H SER 20 H SER 20 3.084 -6.161 1.731
150 HA SER 20 HA SER 20 5.357 -7.665 2.651
151 HB2 SER 20 HB2 SER 20 3.632 -7.491 0.212
152 HB3 SER 20 HB3 SER 20 5.145 -8.381 0.078
153 HG SER 20 HG SER 20 2.878 -9.201 1.129
154 H ARG 21 H ARG 21 4.986 -5.218 0.063
155 HA ARG 21 HA ARG 21 7.665 -5.261 -0.917
156 HB2 ARG 21 HB2 ARG 21 5.517 -4.146 -1.816
157 HB3 ARG 21 HB3 ARG 21 5.887 -2.821 -0.713
158 HG2 ARG 21 HG2 ARG 21 8.300 -3.445 -2.075
159 HG3 ARG 21 HG3 ARG 21 7.030 -3.373 -3.297
160 HD2 ARG 21 HD2 ARG 21 7.326 -1.216 -1.189
161 HD3 ARG 21 HD3 ARG 21 8.179 -1.139 -2.743
162 HE ARG 21 HE ARG 21 5.502 -1.754 -3.363
163 HH11 ARG 21 HH11 ARG 21 6.755 0.636 -4.523
164 HH12 ARG 21 HH12 ARG 21 5.888 1.939 -3.784
165 HH21 ARG 21 HH21 ARG 21 4.591 -0.027 -1.226
166 HH22 ARG 21 HH22 ARG 21 4.658 1.564 -1.910
167 H PHE 22 H PHE 22 6.195 -3.543 1.832
168 HA PHE 22 HA PHE 22 8.383 -1.790 2.438
169 HB2 PHE 22 HB2 PHE 22 5.936 -1.873 3.291
170 HB3 PHE 22 HB3 PHE 22 6.514 -3.076 4.442
171 HD1 PHE 22 HD1 PHE 22 6.738 0.453 3.381
172 HD2 PHE 22 HD2 PHE 22 8.027 -2.473 6.250
173 HE1 PHE 22 HE2 PHE 22 7.603 2.263 4.838
174 HE2 PHE 22 HE1 PHE 22 8.892 -0.662 7.708
175 HZ PHE 22 HZ PHE 22 8.681 1.706 7.002
176 H GLY 23 H GLY 23 7.556 -5.051 3.692
177 HA2 GLY 23 HA2 GLY 23 9.918 -5.271 5.345
178 HA3 GLY 23 HA3 GLY 23 8.868 -6.609 4.871
179 H PHE 24 H PHE 24 9.095 -6.334 2.047
180 HA PHE 24 HA PHE 24 11.487 -7.815 1.500
181 HB2 PHE 24 HB2 PHE 24 9.151 -7.386 0.245
182 HB3 PHE 24 HB3 PHE 24 10.128 -6.207 -0.625
183 HD1 PHE 24 HD1 PHE 24 12.297 -6.971 -1.714
184 HD2 PHE 24 HD2 PHE 24 9.351 -9.713 -0.211
185 HE1 PHE 24 HE1 PHE 24 13.291 -8.788 -3.078
186 HE2 PHE 24 HE2 PHE 24 10.345 -11.530 -1.574
187 HZ PHE 24 HZ PHE 24 12.315 -11.067 -3.007
188 H PHE 25 H PHE 25 10.635 -4.417 0.710
189 HA PHE 25 HA PHE 25 13.198 -3.699 -0.366
190 HB2 PHE 25 HB2 PHE 25 10.846 -2.559 -0.445
191 HB3 PHE 25 HB3 PHE 25 11.348 -1.796 1.064
192 HD1 PHE 25 HD1 PHE 25 12.099 -2.152 -2.542
193 HD2 PHE 25 HD2 PHE 25 13.098 -0.124 1.112
194 HE1 PHE 25 HE1 PHE 25 13.446 -0.508 -3.821
195 HE2 PHE 25 HE2 PHE 25 14.441 1.520 -0.168
196 HZ PHE 25 HZ PHE 25 14.617 1.328 -2.634
197 H ALA 26 H ALA 26 11.933 -3.726 2.955
198 HA ALA 26 HA ALA 26 13.968 -2.154 4.210
199 HB1 ALA 26 HB1 ALA 26 13.238 -3.584 6.222
200 HB2 ALA 26 HB2 ALA 26 12.169 -4.421 5.096
201 HB3 ALA 26 HB3 ALA 26 11.962 -2.695 5.390
202 H HIS 27 H HIS 27 13.956 -5.486 3.065
203 HA HIS 27 HA HIS 27 16.586 -6.018 4.378
204 HB2 HIS 27 HB2 HIS 27 14.402 -7.682 3.114
205 HB3 HIS 27 HB3 HIS 27 15.986 -8.372 3.467
206 HD1 HIS 27 HD1 HIS 27 16.258 -9.282 5.776
207 HD2 HIS 27 HD2 HIS 27 13.223 -6.430 5.603
208 HE1 HIS 27 HE1 HIS 27 15.212 -9.207 8.080
209 H LEU 28 H LEU 28 14.999 -5.880 1.185
210 HA LEU 28 HA LEU 28 17.397 -6.678 -0.289
211 HB2 LEU 28 HB2 LEU 28 14.716 -6.650 -0.764
212 HB3 LEU 28 HB3 LEU 28 15.196 -5.180 -1.612
213 HG LEU 28 HG LEU 28 15.262 -7.142 -3.113
214 HD11 LEU 28 HD11 LEU 28 18.094 -6.277 -2.490
215 HD12 LEU 28 HD12 LEU 28 16.928 -5.214 -3.278
216 HD13 LEU 28 HD13 LEU 28 17.415 -6.719 -4.057
217 HD21 LEU 28 HD21 LEU 28 17.599 -8.235 -1.581
218 HD22 LEU 28 HD22 LEU 28 16.487 -9.067 -2.667
219 HD23 LEU 28 HD23 LEU 28 15.968 -8.632 -1.039
220 H LEU 29 H LEU 29 15.701 -3.588 0.324
221 HA LEU 29 HA LEU 29 16.442 -1.360 0.199
222 HB2 LEU 29 HB2 LEU 29 19.029 -2.919 0.363
223 HB3 LEU 29 HB3 LEU 29 19.022 -1.161 0.274
224 HG LEU 29 HG LEU 29 17.083 -1.913 2.220
225 HD11 LEU 29 HD11 LEU 29 18.690 -4.031 2.091
226 HD12 LEU 29 HD12 LEU 29 18.124 -3.413 3.643
227 HD13 LEU 29 HD13 LEU 29 19.739 -3.002 3.066
228 HD21 LEU 29 HD21 LEU 29 18.118 0.138 2.561
229 HD22 LEU 29 HD22 LEU 29 19.712 -0.475 2.120
230 HD23 LEU 29 HD23 LEU 29 19.026 -0.858 3.699
231 HA PRO 30 HA PRO 30 17.106 -0.474 -4.052
232 HB2 PRO 30 HB2 PRO 30 18.320 1.978 -3.975
233 HB3 PRO 30 HB3 PRO 30 16.608 1.736 -3.577
234 HG2 PRO 30 HG2 PRO 30 18.932 2.126 -1.774
235 HG3 PRO 30 HG3 PRO 30 17.260 2.680 -1.600
236 HD2 PRO 30 HD2 PRO 30 18.336 0.515 -0.283
237 HD3 PRO 30 HD3 PRO 30 16.602 0.754 -0.584
238 H ARG 31 H ARG 31 18.733 -2.256 -4.252
239 HA ARG 31 HA ARG 31 21.385 -1.200 -5.052
240 HB2 ARG 31 HB2 ARG 31 21.261 -1.847 -2.539
241 HB3 ARG 31 HB3 ARG 31 21.187 -3.512 -3.116
242 HG2 ARG 31 HG2 ARG 31 23.502 -3.065 -2.723
243 HG3 ARG 31 HG3 ARG 31 23.288 -2.997 -4.472
244 HD2 ARG 31 HD2 ARG 31 24.633 -1.074 -3.774
245 HD3 ARG 31 HD3 ARG 31 23.034 -0.484 -4.264
246 HE ARG 31 HE ARG 31 23.149 -1.178 -1.431
247 HH11 ARG 31 HH11 ARG 31 21.554 1.073 -2.702
248 HH12 ARG 31 HH12 ARG 31 22.390 2.467 -2.102
249 HH21 ARG 31 HH21 ARG 31 25.209 0.680 -1.126
250 HH22 ARG 31 HH22 ARG 31 24.469 2.244 -1.205
Start of MODEL 13
1 HA ASP 1 HA ASP 1 -3.352 12.953 -7.080
2 HB2 ASP 1 HB2 ASP 1 -4.040 15.881 -6.851
3 HB3 ASP 1 HB3 ASP 1 -3.553 14.972 -5.421
4 H THR 2 H THR 2 -5.003 11.397 -6.689
5 HA THR 2 HA THR 2 -7.033 12.182 -4.699
6 HB THR 2 HB THR 2 -8.159 12.744 -6.778
7 HG1 THR 2 HG1 THR 2 -9.877 11.768 -6.101
8 HG21 THR 2 HG21 THR 2 -7.109 11.655 -8.532
9 HG22 THR 2 HG22 THR 2 -8.544 10.646 -8.361
10 HG23 THR 2 HG23 THR 2 -7.012 10.124 -7.664
11 H GLU 3 H GLU 3 -7.904 10.327 -3.592
12 HA GLU 3 HA GLU 3 -6.406 7.780 -4.119
13 HB2 GLU 3 HB2 GLU 3 -7.553 9.056 -1.616
14 HB3 GLU 3 HB3 GLU 3 -6.881 7.427 -1.649
15 HG2 GLU 3 HG2 GLU 3 -4.828 8.304 -1.369
16 HG3 GLU 3 HG3 GLU 3 -4.985 9.101 -2.934
17 H ILE 4 H ILE 4 -9.014 8.618 -5.375
18 HA ILE 4 HA ILE 4 -11.138 7.703 -5.834
19 HB ILE 4 HB ILE 4 -9.863 5.226 -4.623
20 HG12 ILE 4 HG12 ILE 4 -9.620 5.464 -7.509
21 HG13 ILE 4 HG13 ILE 4 -8.829 6.822 -6.709
22 HG21 ILE 4 HG21 ILE 4 -12.196 4.911 -5.198
23 HG22 ILE 4 HG22 ILE 4 -11.220 4.112 -6.429
24 HG23 ILE 4 HG23 ILE 4 -11.958 5.677 -6.768
25 HD11 ILE 4 HD11 ILE 4 -7.369 4.768 -7.058
26 HD12 ILE 4 HD12 ILE 4 -8.389 3.944 -5.877
27 HD13 ILE 4 HD13 ILE 4 -7.453 5.360 -5.398
28 H ILE 5 H ILE 5 -11.323 9.164 -3.568
29 HA ILE 5 HA ILE 5 -12.584 9.468 -1.609
30 HB ILE 5 HB ILE 5 -13.881 6.925 -2.653
31 HG12 ILE 5 HG12 ILE 5 -15.464 9.207 -3.163
32 HG13 ILE 5 HG13 ILE 5 -13.823 9.657 -3.626
33 HG21 ILE 5 HG21 ILE 5 -14.757 9.009 -0.640
34 HG22 ILE 5 HG22 ILE 5 -14.617 7.267 -0.400
35 HG23 ILE 5 HG23 ILE 5 -15.890 7.915 -1.433
36 HD11 ILE 5 HD11 ILE 5 -14.811 6.967 -4.471
37 HD12 ILE 5 HD12 ILE 5 -13.710 8.069 -5.297
38 HD13 ILE 5 HD13 ILE 5 -15.446 8.378 -5.318
39 H GLY 6 H GLY 6 -12.941 5.971 -1.332
40 HA2 GLY 6 HA2 GLY 6 -11.872 4.423 0.099
41 HA3 GLY 6 HA3 GLY 6 -10.669 5.657 0.475
42 H GLY 7 H GLY 7 -14.233 5.603 0.876
43 HA2 GLY 7 HA2 GLY 7 -13.952 6.775 3.553
44 HA3 GLY 7 HA3 GLY 7 -15.472 6.388 2.746
45 H LEU 8 H LEU 8 -16.211 4.166 2.790
46 HA LEU 8 HA LEU 8 -15.018 2.569 5.037
47 HB2 LEU 8 HB2 LEU 8 -17.849 2.920 4.000
48 HB3 LEU 8 HB3 LEU 8 -17.409 1.691 5.186
49 HG LEU 8 HG LEU 8 -16.800 4.630 5.581
50 HD11 LEU 8 HD11 LEU 8 -18.801 4.787 6.934
51 HD12 LEU 8 HD12 LEU 8 -19.145 3.072 6.706
52 HD13 LEU 8 HD13 LEU 8 -19.270 4.184 5.343
53 HD21 LEU 8 HD21 LEU 8 -15.460 3.266 7.005
54 HD22 LEU 8 HD22 LEU 8 -16.795 2.159 7.328
55 HD23 LEU 8 HD23 LEU 8 -16.813 3.785 8.011
56 H THR 9 H THR 9 -14.076 2.388 2.298
57 HA THR 9 HA THR 9 -14.749 -0.465 1.742
58 HB THR 9 HB THR 9 -14.609 1.573 -0.484
59 HG1 THR 9 HG1 THR 9 -16.296 2.426 0.484
60 HG21 THR 9 HG21 THR 9 -15.925 -0.077 -1.675
61 HG22 THR 9 HG22 THR 9 -16.136 -1.027 -0.204
62 HG23 THR 9 HG23 THR 9 -14.541 -0.888 -0.944
63 H ILE 10 H ILE 10 -12.402 0.193 2.951
64 HA ILE 10 HA ILE 10 -10.268 0.914 1.116
65 HB ILE 10 HB ILE 10 -10.288 1.255 3.598
66 HG12 ILE 10 HG12 ILE 10 -7.983 -0.545 2.839
67 HG13 ILE 10 HG13 ILE 10 -8.177 1.055 2.122
68 HG21 ILE 10 HG21 ILE 10 -11.283 -1.096 4.000
69 HG22 ILE 10 HG22 ILE 10 -10.035 -0.546 5.117
70 HG23 ILE 10 HG23 ILE 10 -9.629 -1.683 3.833
71 HD11 ILE 10 HD11 ILE 10 -7.265 1.991 3.951
72 HD12 ILE 10 HD12 ILE 10 -7.067 0.393 4.669
73 HD13 ILE 10 HD13 ILE 10 -8.550 1.306 4.946
74 HA PRO 11 HA PRO 11 -9.779 -3.158 -0.591
75 HB2 PRO 11 HB2 PRO 11 -7.623 -2.597 -2.172
76 HB3 PRO 11 HB3 PRO 11 -9.272 -2.079 -2.569
77 HG2 PRO 11 HG2 PRO 11 -7.001 -0.508 -1.543
78 HG3 PRO 11 HG3 PRO 11 -8.377 0.002 -2.528
79 HD2 PRO 11 HD2 PRO 11 -8.045 0.405 0.237
80 HD3 PRO 11 HD3 PRO 11 -9.527 0.669 -0.704
81 HA PRO 12 HA PRO 12 -6.610 -4.509 2.310
82 HB2 PRO 12 HB2 PRO 12 -7.144 -7.184 2.085
83 HB3 PRO 12 HB3 PRO 12 -8.120 -6.079 3.074
84 HG2 PRO 12 HG2 PRO 12 -8.668 -7.183 0.367
85 HG3 PRO 12 HG3 PRO 12 -9.780 -6.871 1.708
86 HD2 PRO 12 HD2 PRO 12 -9.523 -5.236 -0.471
87 HD3 PRO 12 HD3 PRO 12 -10.075 -4.684 1.125
88 H VAL 13 H VAL 13 -7.127 -6.066 -0.876
89 HA VAL 13 HA VAL 13 -4.568 -7.327 -1.113
90 HB VAL 13 HB VAL 13 -6.533 -6.230 -3.156
91 HG11 VAL 13 HG11 VAL 13 -4.548 -6.508 -4.398
92 HG12 VAL 13 HG12 VAL 13 -5.371 -8.054 -4.602
93 HG13 VAL 13 HG13 VAL 13 -4.043 -7.908 -3.452
94 HG21 VAL 13 HG21 VAL 13 -7.057 -8.736 -3.321
95 HG22 VAL 13 HG22 VAL 13 -7.579 -7.931 -1.842
96 HG23 VAL 13 HG23 VAL 13 -6.123 -8.924 -1.836
97 H VAL 14 H VAL 14 -5.691 -4.092 -2.195
98 HA VAL 14 HA VAL 14 -3.316 -3.231 -3.495
99 HB VAL 14 HB VAL 14 -5.445 -1.768 -1.895
100 HG11 VAL 14 HG11 VAL 14 -3.150 -0.729 -3.561
101 HG12 VAL 14 HG12 VAL 14 -3.652 -0.223 -1.948
102 HG13 VAL 14 HG13 VAL 14 -4.628 0.211 -3.350
103 HG21 VAL 14 HG21 VAL 14 -5.012 -2.090 -4.884
104 HG22 VAL 14 HG22 VAL 14 -6.361 -1.257 -4.113
105 HG23 VAL 14 HG23 VAL 14 -6.183 -3.002 -3.931
106 H ALA 15 H ALA 15 -4.292 -2.812 -0.066
107 HA ALA 15 HA ALA 15 -1.860 -1.544 0.805
108 HB1 ALA 15 HB1 ALA 15 -2.741 -2.220 3.053
109 HB2 ALA 15 HB2 ALA 15 -3.945 -3.225 2.245
110 HB3 ALA 15 HB3 ALA 15 -3.978 -1.473 2.043
111 H LEU 16 H LEU 16 -2.907 -4.946 0.648
112 HA LEU 16 HA LEU 16 -0.724 -6.155 2.025
113 HB2 LEU 16 HB2 LEU 16 -2.969 -6.881 0.349
114 HB3 LEU 16 HB3 LEU 16 -1.561 -7.834 -0.108
115 HG LEU 16 HG LEU 16 -2.910 -8.917 1.690
116 HD11 LEU 16 HD11 LEU 16 -0.961 -9.206 3.302
117 HD12 LEU 16 HD12 LEU 16 -0.102 -7.996 2.348
118 HD13 LEU 16 HD13 LEU 16 -0.594 -9.519 1.606
119 HD21 LEU 16 HD21 LEU 16 -1.925 -6.768 3.558
120 HD22 LEU 16 HD22 LEU 16 -3.229 -7.931 3.798
121 HD23 LEU 16 HD23 LEU 16 -3.455 -6.567 2.702
122 H VAL 17 H VAL 17 -1.094 -5.233 -1.411
123 HA VAL 17 HA VAL 17 1.385 -6.347 -2.353
124 HB VAL 17 HB VAL 17 -0.328 -4.005 -3.264
125 HG11 VAL 17 HG11 VAL 17 2.103 -5.311 -4.460
126 HG12 VAL 17 HG12 VAL 17 1.681 -3.600 -4.389
127 HG13 VAL 17 HG13 VAL 17 0.849 -4.667 -5.521
128 HG21 VAL 17 HG21 VAL 17 -0.271 -6.456 -4.872
129 HG22 VAL 17 HG22 VAL 17 -1.655 -5.548 -4.264
130 HG23 VAL 17 HG23 VAL 17 -0.859 -6.736 -3.233
131 H VAL 18 H VAL 18 0.533 -3.138 -1.032
132 HA VAL 18 HA VAL 18 3.160 -1.961 -1.361
133 HB VAL 18 HB VAL 18 0.791 -1.371 0.455
134 HG11 VAL 18 HG11 VAL 18 3.260 0.288 -0.145
135 HG12 VAL 18 HG12 VAL 18 2.796 -0.370 1.423
136 HG13 VAL 18 HG13 VAL 18 1.823 0.897 0.676
137 HG21 VAL 18 HG21 VAL 18 0.180 -1.095 -1.846
138 HG22 VAL 18 HG22 VAL 18 1.716 -0.318 -2.231
139 HG23 VAL 18 HG23 VAL 18 0.525 0.524 -1.241
140 H MET 19 H MET 19 1.485 -3.557 1.366
141 HA MET 19 HA MET 19 3.536 -3.301 3.337
142 HB2 MET 19 HB2 MET 19 1.268 -5.214 2.782
143 HB3 MET 19 HB3 MET 19 2.337 -5.481 4.159
144 HG2 MET 19 HG2 MET 19 1.616 -3.579 5.266
145 HG3 MET 19 HG3 MET 19 1.196 -2.741 3.772
146 HE1 MET 19 HE1 MET 19 0.494 -5.378 6.292
147 HE2 MET 19 HE2 MET 19 0.098 -6.467 4.964
148 HE3 MET 19 HE3 MET 19 -1.174 -5.916 6.051
149 H SER 20 H SER 20 2.956 -5.826 0.864
150 HA SER 20 HA SER 20 5.005 -7.655 1.625
151 HB2 SER 20 HB2 SER 20 3.118 -7.898 -0.076
152 HB3 SER 20 HB3 SER 20 4.113 -6.970 -1.192
153 HG SER 20 HG SER 20 5.664 -8.570 -1.098
154 H ARG 21 H ARG 21 5.121 -4.835 -0.580
155 HA ARG 21 HA ARG 21 7.861 -5.112 -1.384
156 HB2 ARG 21 HB2 ARG 21 5.668 -3.172 -1.513
157 HB3 ARG 21 HB3 ARG 21 7.242 -2.388 -1.378
158 HG2 ARG 21 HG2 ARG 21 7.147 -2.667 -3.671
159 HG3 ARG 21 HG3 ARG 21 7.908 -4.191 -3.218
160 HD2 ARG 21 HD2 ARG 21 6.180 -5.021 -4.529
161 HD3 ARG 21 HD3 ARG 21 5.322 -4.933 -2.978
162 HE ARG 21 HE ARG 21 4.208 -2.949 -3.736
163 HH11 ARG 21 HH11 ARG 21 4.349 -4.559 -6.350
164 HH12 ARG 21 HH12 ARG 21 4.857 -3.330 -7.459
165 HH21 ARG 21 HH21 ARG 21 5.858 -1.129 -4.958
166 HH22 ARG 21 HH22 ARG 21 5.716 -1.377 -6.667
167 H PHE 22 H PHE 22 6.336 -3.378 1.342
168 HA PHE 22 HA PHE 22 8.662 -2.074 2.364
169 HB2 PHE 22 HB2 PHE 22 6.095 -1.930 2.914
170 HB3 PHE 22 HB3 PHE 22 6.462 -3.189 4.094
171 HD1 PHE 22 HD1 PHE 22 8.005 -2.757 5.968
172 HD2 PHE 22 HD2 PHE 22 6.945 0.329 3.173
173 HE1 PHE 22 HE2 PHE 22 8.901 -1.042 7.520
174 HE2 PHE 22 HE1 PHE 22 7.840 2.042 4.725
175 HZ PHE 22 HZ PHE 22 8.818 1.358 6.899
176 H GLY 23 H GLY 23 7.318 -5.328 2.999
177 HA2 GLY 23 HA2 GLY 23 9.128 -6.086 5.072
178 HA3 GLY 23 HA3 GLY 23 8.289 -7.214 4.006
179 H PHE 24 H PHE 24 9.370 -6.286 1.528
180 HA PHE 24 HA PHE 24 11.946 -7.658 1.538
181 HB2 PHE 24 HB2 PHE 24 9.905 -6.890 -0.296
182 HB3 PHE 24 HB3 PHE 24 11.404 -6.154 -0.864
183 HD1 PHE 24 HD1 PHE 24 13.469 -7.630 -1.128
184 HD2 PHE 24 HD2 PHE 24 9.522 -9.217 -0.538
185 HE1 PHE 24 HE1 PHE 24 14.226 -9.829 -1.989
186 HE2 PHE 24 HE2 PHE 24 10.278 -11.416 -1.398
187 HZ PHE 24 HZ PHE 24 12.629 -11.722 -2.124
188 H PHE 25 H PHE 25 10.870 -4.274 1.091
189 HA PHE 25 HA PHE 25 13.404 -3.095 0.541
190 HB2 PHE 25 HB2 PHE 25 10.697 -2.306 1.313
191 HB3 PHE 25 HB3 PHE 25 11.915 -1.229 1.995
192 HD1 PHE 25 HD1 PHE 25 13.798 -0.422 0.365
193 HD2 PHE 25 HD2 PHE 25 10.020 -2.017 -0.918
194 HE1 PHE 25 HE2 PHE 25 14.093 0.656 -1.847
195 HE2 PHE 25 HE1 PHE 25 10.317 -0.938 -3.130
196 HZ PHE 25 HZ PHE 25 12.353 0.400 -3.594
197 H ALA 26 H ALA 26 11.924 -4.064 3.613
198 HA ALA 26 HA ALA 26 13.550 -2.634 5.449
199 HB1 ALA 26 HB1 ALA 26 12.929 -4.511 6.972
200 HB2 ALA 26 HB2 ALA 26 12.374 -5.431 5.574
201 HB3 ALA 26 HB3 ALA 26 11.551 -3.940 6.029
202 H HIS 27 H HIS 27 14.158 -5.747 3.795
203 HA HIS 27 HA HIS 27 16.960 -5.716 4.873
204 HB2 HIS 27 HB2 HIS 27 15.039 -7.870 3.972
205 HB3 HIS 27 HB3 HIS 27 16.767 -8.194 4.110
206 HD1 HIS 27 HD1 HIS 27 13.759 -7.248 6.190
207 HD2 HIS 27 HD2 HIS 27 17.728 -8.397 6.756
208 HE1 HIS 27 HE1 HIS 27 14.031 -7.694 8.669
209 H LEU 28 H LEU 28 16.072 -4.111 2.561
210 HA LEU 28 HA LEU 28 17.955 -5.202 0.533
211 HB2 LEU 28 HB2 LEU 28 15.664 -6.066 0.045
212 HB3 LEU 28 HB3 LEU 28 15.080 -4.405 -0.037
213 HG LEU 28 HG LEU 28 17.064 -4.146 -1.784
214 HD11 LEU 28 HD11 LEU 28 17.896 -6.457 -1.431
215 HD12 LEU 28 HD12 LEU 28 17.374 -6.203 -3.096
216 HD13 LEU 28 HD13 LEU 28 16.340 -7.089 -1.974
217 HD21 LEU 28 HD21 LEU 28 14.636 -3.827 -2.223
218 HD22 LEU 28 HD22 LEU 28 14.464 -5.568 -2.450
219 HD23 LEU 28 HD23 LEU 28 15.448 -4.625 -3.570
220 H LEU 29 H LEU 29 15.618 -2.559 1.192
221 HA LEU 29 HA LEU 29 15.834 -0.226 1.071
222 HB2 LEU 29 HB2 LEU 29 18.754 -1.051 1.111
223 HB3 LEU 29 HB3 LEU 29 18.216 0.623 1.223
224 HG LEU 29 HG LEU 29 17.079 -1.447 3.090
225 HD11 LEU 29 HD11 LEU 29 19.664 0.092 3.486
226 HD12 LEU 29 HD12 LEU 29 19.536 -1.650 3.247
227 HD13 LEU 29 HD13 LEU 29 18.867 -0.908 4.700
228 HD21 LEU 29 HD21 LEU 29 16.039 0.776 3.018
229 HD22 LEU 29 HD22 LEU 29 17.608 1.539 3.272
230 HD23 LEU 29 HD23 LEU 29 16.885 0.563 4.550
231 HA PRO 30 HA PRO 30 16.130 0.657 -3.218
232 HB2 PRO 30 HB2 PRO 30 16.366 3.382 -3.178
233 HB3 PRO 30 HB3 PRO 30 14.855 2.536 -2.789
234 HG2 PRO 30 HG2 PRO 30 16.849 3.779 -0.977
235 HG3 PRO 30 HG3 PRO 30 15.090 3.681 -0.825
236 HD2 PRO 30 HD2 PRO 30 16.874 2.083 0.537
237 HD3 PRO 30 HD3 PRO 30 15.173 1.669 0.228
238 H ARG 31 H ARG 31 18.273 -0.394 -3.450
239 HA ARG 31 HA ARG 31 20.521 -0.413 -4.157
240 HB2 ARG 31 HB2 ARG 31 19.227 1.508 -5.506
241 HB3 ARG 31 HB3 ARG 31 20.370 2.535 -4.641
242 HG2 ARG 31 HG2 ARG 31 22.082 0.639 -5.465
243 HG3 ARG 31 HG3 ARG 31 20.881 0.487 -6.747
244 HD2 ARG 31 HD2 ARG 31 22.184 3.110 -5.923
245 HD3 ARG 31 HD3 ARG 31 22.657 2.144 -7.335
246 HE ARG 31 HE ARG 31 20.072 3.576 -7.012
247 HH11 ARG 31 HH11 ARG 31 21.690 4.160 -9.380
248 HH12 ARG 31 HH12 ARG 31 21.012 3.134 -10.598
249 HH21 ARG 31 HH21 ARG 31 19.376 1.076 -8.322
250 HH22 ARG 31 HH22 ARG 31 19.695 1.380 -9.997
Start of MODEL 14
1 HA ASP 1 HA ASP 1 -5.657 6.011 8.383
2 HB2 ASP 1 HB2 ASP 1 -8.141 4.546 7.879
3 HB3 ASP 1 HB3 ASP 1 -6.867 4.091 6.749
4 H THR 2 H THR 2 -5.168 4.802 5.912
5 HA THR 2 HA THR 2 -4.732 7.109 4.187
6 HB THR 2 HB THR 2 -3.815 5.239 2.685
7 HG1 THR 2 HG1 THR 2 -3.947 3.223 3.386
8 HG21 THR 2 HG21 THR 2 -1.873 4.906 4.079
9 HG22 THR 2 HG22 THR 2 -2.804 5.241 5.538
10 HG23 THR 2 HG23 THR 2 -2.481 6.534 4.383
11 H GLU 3 H GLU 3 -7.002 7.760 3.810
12 HA GLU 3 HA GLU 3 -8.721 5.918 2.256
13 HB2 GLU 3 HB2 GLU 3 -9.228 7.744 4.162
14 HB3 GLU 3 HB3 GLU 3 -9.390 8.790 2.752
15 HG2 GLU 3 HG2 GLU 3 -11.120 7.430 1.820
16 HG3 GLU 3 HG3 GLU 3 -10.801 6.122 2.961
17 H ILE 4 H ILE 4 -6.734 6.107 0.582
18 HA ILE 4 HA ILE 4 -6.763 8.526 -1.092
19 HB ILE 4 HB ILE 4 -5.476 5.782 -1.341
20 HG12 ILE 4 HG12 ILE 4 -3.671 8.005 -0.979
21 HG13 ILE 4 HG13 ILE 4 -4.895 8.035 0.290
22 HG21 ILE 4 HG21 ILE 4 -3.958 7.117 -2.966
23 HG22 ILE 4 HG22 ILE 4 -5.293 8.266 -3.045
24 HG23 ILE 4 HG23 ILE 4 -5.536 6.595 -3.556
25 HD11 ILE 4 HD11 ILE 4 -3.138 5.678 -0.454
26 HD12 ILE 4 HD12 ILE 4 -4.431 5.625 0.744
27 HD13 ILE 4 HD13 ILE 4 -3.021 6.649 1.015
28 H ILE 5 H ILE 5 -7.873 5.141 -1.384
29 HA ILE 5 HA ILE 5 -9.809 6.015 -3.482
30 HB ILE 5 HB ILE 5 -9.167 3.823 -4.671
31 HG12 ILE 5 HG12 ILE 5 -6.547 4.103 -3.212
32 HG13 ILE 5 HG13 ILE 5 -7.833 3.113 -2.522
33 HG21 ILE 5 HG21 ILE 5 -7.387 4.889 -5.888
34 HG22 ILE 5 HG22 ILE 5 -6.972 5.902 -4.506
35 HG23 ILE 5 HG23 ILE 5 -8.490 6.163 -5.365
36 HD11 ILE 5 HD11 ILE 5 -6.402 1.694 -3.886
37 HD12 ILE 5 HD12 ILE 5 -6.577 2.785 -5.261
38 HD13 ILE 5 HD13 ILE 5 -7.965 1.863 -4.686
39 H GLY 6 H GLY 6 -10.943 5.775 -1.185
40 HA2 GLY 6 HA2 GLY 6 -12.315 3.159 -1.227
41 HA3 GLY 6 HA3 GLY 6 -11.481 3.567 0.272
42 H GLY 7 H GLY 7 -12.687 4.637 1.760
43 HA2 GLY 7 HA2 GLY 7 -14.116 6.551 2.355
44 HA3 GLY 7 HA3 GLY 7 -14.940 6.353 0.806
45 H LEU 8 H LEU 8 -15.672 3.817 0.629
46 HA LEU 8 HA LEU 8 -17.060 3.108 3.192
47 HB2 LEU 8 HB2 LEU 8 -18.158 4.173 0.800
48 HB3 LEU 8 HB3 LEU 8 -18.631 2.476 0.851
49 HG LEU 8 HG LEU 8 -18.898 4.195 3.309
50 HD11 LEU 8 HD11 LEU 8 -20.892 3.949 1.035
51 HD12 LEU 8 HD12 LEU 8 -20.062 5.422 1.536
52 HD13 LEU 8 HD13 LEU 8 -21.239 4.664 2.609
53 HD21 LEU 8 HD21 LEU 8 -20.713 2.568 3.776
54 HD22 LEU 8 HD22 LEU 8 -19.169 1.756 3.516
55 HD23 LEU 8 HD23 LEU 8 -20.384 1.772 2.237
56 H THR 9 H THR 9 -14.728 2.064 1.286
57 HA THR 9 HA THR 9 -15.126 -0.750 1.864
58 HB THR 9 HB THR 9 -16.618 -0.695 -0.002
59 HG1 THR 9 HG1 THR 9 -14.129 -1.388 -1.156
60 HG21 THR 9 HG21 THR 9 -15.449 0.249 -2.252
61 HG22 THR 9 HG22 THR 9 -14.679 1.292 -1.058
62 HG23 THR 9 HG23 THR 9 -16.437 1.251 -1.190
63 H ILE 10 H ILE 10 -13.038 -0.755 2.705
64 HA ILE 10 HA ILE 10 -10.789 0.448 1.251
65 HB ILE 10 HB ILE 10 -9.506 -0.388 3.207
66 HG12 ILE 10 HG12 ILE 10 -11.617 -1.300 4.884
67 HG13 ILE 10 HG13 ILE 10 -11.727 -2.220 3.384
68 HG21 ILE 10 HG21 ILE 10 -11.864 0.616 4.620
69 HG22 ILE 10 HG22 ILE 10 -11.492 1.550 3.170
70 HG23 ILE 10 HG23 ILE 10 -10.273 1.352 4.427
71 HD11 ILE 10 HD11 ILE 10 -9.132 -1.838 4.896
72 HD12 ILE 10 HD12 ILE 10 -9.448 -2.958 3.570
73 HD13 ILE 10 HD13 ILE 10 -10.197 -3.222 5.145
74 HA PRO 11 HA PRO 11 -9.973 -3.330 -0.972
75 HB2 PRO 11 HB2 PRO 11 -7.854 -2.385 -2.414
76 HB3 PRO 11 HB3 PRO 11 -9.538 -1.984 -2.799
77 HG2 PRO 11 HG2 PRO 11 -7.459 -0.339 -1.497
78 HG3 PRO 11 HG3 PRO 11 -8.825 0.151 -2.507
79 HD2 PRO 11 HD2 PRO 11 -8.691 0.317 0.280
80 HD3 PRO 11 HD3 PRO 11 -10.159 0.458 -0.709
81 HA PRO 12 HA PRO 12 -6.702 -4.545 1.909
82 HB2 PRO 12 HB2 PRO 12 -7.223 -7.226 1.800
83 HB3 PRO 12 HB3 PRO 12 -8.161 -6.096 2.797
84 HG2 PRO 12 HG2 PRO 12 -8.843 -7.328 0.186
85 HG3 PRO 12 HG3 PRO 12 -9.889 -6.917 1.552
86 HD2 PRO 12 HD2 PRO 12 -9.661 -5.431 -0.761
87 HD3 PRO 12 HD3 PRO 12 -10.245 -4.806 0.795
88 H VAL 13 H VAL 13 -7.323 -5.881 -1.324
89 HA VAL 13 HA VAL 13 -4.927 -7.400 -1.638
90 HB VAL 13 HB VAL 13 -6.962 -7.492 -3.069
91 HG11 VAL 13 HG11 VAL 13 -5.946 -4.966 -4.384
92 HG12 VAL 13 HG12 VAL 13 -7.204 -4.944 -3.147
93 HG13 VAL 13 HG13 VAL 13 -7.475 -5.798 -4.665
94 HG21 VAL 13 HG21 VAL 13 -4.410 -6.809 -4.561
95 HG22 VAL 13 HG22 VAL 13 -5.774 -7.713 -5.222
96 HG23 VAL 13 HG23 VAL 13 -4.822 -8.392 -3.901
97 H VAL 14 H VAL 14 -5.559 -3.939 -2.388
98 HA VAL 14 HA VAL 14 -2.879 -3.504 -3.448
99 HB VAL 14 HB VAL 14 -3.570 -1.125 -3.393
100 HG11 VAL 14 HG11 VAL 14 -4.391 -2.761 -5.160
101 HG12 VAL 14 HG12 VAL 14 -5.367 -1.306 -4.959
102 HG13 VAL 14 HG13 VAL 14 -5.909 -2.833 -4.264
103 HG21 VAL 14 HG21 VAL 14 -5.837 -0.555 -2.536
104 HG22 VAL 14 HG22 VAL 14 -4.760 -1.101 -1.252
105 HG23 VAL 14 HG23 VAL 14 -5.987 -2.190 -1.897
106 H ALA 15 H ALA 15 -4.416 -3.105 -0.267
107 HA ALA 15 HA ALA 15 -2.243 -1.682 0.994
108 HB1 ALA 15 HB1 ALA 15 -3.430 -2.367 3.053
109 HB2 ALA 15 HB2 ALA 15 -4.366 -3.540 2.126
110 HB3 ALA 15 HB3 ALA 15 -4.576 -1.813 1.831
111 H LEU 16 H LEU 16 -3.033 -5.143 0.647
112 HA LEU 16 HA LEU 16 -0.925 -6.154 2.330
113 HB2 LEU 16 HB2 LEU 16 -3.044 -7.292 1.440
114 HB3 LEU 16 HB3 LEU 16 -2.176 -7.497 -0.081
115 HG LEU 16 HG LEU 16 -0.294 -8.500 1.481
116 HD11 LEU 16 HD11 LEU 16 -1.529 -9.828 3.328
117 HD12 LEU 16 HD12 LEU 16 -2.814 -8.634 3.138
118 HD13 LEU 16 HD13 LEU 16 -1.200 -8.123 3.633
119 HD21 LEU 16 HD21 LEU 16 -0.967 -10.568 0.719
120 HD22 LEU 16 HD22 LEU 16 -2.046 -9.570 -0.254
121 HD23 LEU 16 HD23 LEU 16 -2.639 -10.328 1.224
122 H VAL 17 H VAL 17 -1.105 -5.455 -1.173
123 HA VAL 17 HA VAL 17 1.457 -6.534 -1.894
124 HB VAL 17 HB VAL 17 -0.373 -4.397 -3.022
125 HG11 VAL 17 HG11 VAL 17 1.050 -4.717 -5.138
126 HG12 VAL 17 HG12 VAL 17 2.277 -5.407 -4.075
127 HG13 VAL 17 HG13 VAL 17 1.758 -3.736 -3.855
128 HG21 VAL 17 HG21 VAL 17 -1.066 -6.816 -3.049
129 HG22 VAL 17 HG22 VAL 17 0.363 -7.167 -4.021
130 HG23 VAL 17 HG23 VAL 17 -0.901 -6.116 -4.659
131 H VAL 18 H VAL 18 0.457 -3.269 -0.827
132 HA VAL 18 HA VAL 18 3.021 -2.000 -1.121
133 HB VAL 18 HB VAL 18 0.568 -1.505 0.594
134 HG11 VAL 18 HG11 VAL 18 2.386 -0.468 1.792
135 HG12 VAL 18 HG12 VAL 18 1.552 0.808 0.906
136 HG13 VAL 18 HG13 VAL 18 3.080 0.168 0.300
137 HG21 VAL 18 HG21 VAL 18 0.052 0.171 -1.042
138 HG22 VAL 18 HG22 VAL 18 0.510 -1.272 -1.946
139 HG23 VAL 18 HG23 VAL 18 1.657 0.054 -1.764
140 H MET 19 H MET 19 1.506 -3.763 1.589
141 HA MET 19 HA MET 19 3.546 -3.240 3.549
142 HB2 MET 19 HB2 MET 19 1.126 -4.190 3.723
143 HB3 MET 19 HB3 MET 19 1.875 -5.749 3.375
144 HG2 MET 19 HG2 MET 19 3.066 -5.780 5.370
145 HG3 MET 19 HG3 MET 19 3.069 -4.022 5.517
146 HE1 MET 19 HE1 MET 19 -0.212 -2.988 6.873
147 HE2 MET 19 HE2 MET 19 0.967 -2.676 5.602
148 HE3 MET 19 HE3 MET 19 1.504 -2.833 7.272
149 H SER 20 H SER 20 3.096 -5.920 1.211
150 HA SER 20 HA SER 20 5.315 -7.528 2.035
151 HB2 SER 20 HB2 SER 20 3.311 -7.906 0.373
152 HB3 SER 20 HB3 SER 20 4.417 -7.245 -0.828
153 HG SER 20 HG SER 20 5.884 -8.879 -0.300
154 H ARG 21 H ARG 21 5.085 -4.888 -0.369
155 HA ARG 21 HA ARG 21 7.792 -5.023 -1.318
156 HB2 ARG 21 HB2 ARG 21 5.708 -3.799 -2.234
157 HB3 ARG 21 HB3 ARG 21 6.089 -2.531 -1.068
158 HG2 ARG 21 HG2 ARG 21 8.487 -3.287 -2.486
159 HG3 ARG 21 HG3 ARG 21 7.216 -2.888 -3.643
160 HD2 ARG 21 HD2 ARG 21 7.715 -1.086 -1.271
161 HD3 ARG 21 HD3 ARG 21 8.700 -0.937 -2.741
162 HE ARG 21 HE ARG 21 5.934 -1.101 -3.482
163 HH11 ARG 21 HH11 ARG 21 7.663 0.917 -4.709
164 HH12 ARG 21 HH12 ARG 21 7.121 2.400 -3.998
165 HH21 ARG 21 HH21 ARG 21 5.465 0.837 -1.370
166 HH22 ARG 21 HH22 ARG 21 5.870 2.355 -2.099
167 H PHE 22 H PHE 22 6.277 -3.277 1.394
168 HA PHE 22 HA PHE 22 8.491 -1.655 2.176
169 HB2 PHE 22 HB2 PHE 22 5.998 -1.725 2.919
170 HB3 PHE 22 HB3 PHE 22 6.523 -2.954 4.069
171 HD1 PHE 22 HD1 PHE 22 6.928 0.581 3.029
172 HD2 PHE 22 HD2 PHE 22 7.871 -2.388 5.987
173 HE1 PHE 22 HE1 PHE 22 7.760 2.357 4.547
174 HE2 PHE 22 HE2 PHE 22 8.704 -0.612 7.504
175 HZ PHE 22 HZ PHE 22 8.649 1.761 6.784
176 H GLY 23 H GLY 23 7.573 -4.982 3.132
177 HA2 GLY 23 HA2 GLY 23 9.743 -5.349 4.993
178 HA3 GLY 23 HA3 GLY 23 8.796 -6.644 4.259
179 H PHE 24 H PHE 24 9.422 -5.787 1.503
180 HA PHE 24 HA PHE 24 11.772 -7.344 1.016
181 HB2 PHE 24 HB2 PHE 24 9.693 -6.240 -0.427
182 HB3 PHE 24 HB3 PHE 24 11.068 -5.283 -0.975
183 HD1 PHE 24 HD1 PHE 24 13.199 -6.564 -1.691
184 HD2 PHE 24 HD2 PHE 24 9.342 -8.408 -1.276
185 HE1 PHE 24 HE2 PHE 24 13.946 -8.447 -3.120
186 HE2 PHE 24 HE1 PHE 24 10.090 -10.292 -2.706
187 HZ PHE 24 HZ PHE 24 12.392 -10.311 -3.627
188 H PHE 25 H PHE 25 11.316 -3.784 0.809
189 HA PHE 25 HA PHE 25 14.062 -3.130 0.331
190 HB2 PHE 25 HB2 PHE 25 11.802 -1.774 0.212
191 HB3 PHE 25 HB3 PHE 25 12.183 -1.365 1.885
192 HD1 PHE 25 HD1 PHE 25 14.227 -0.094 2.442
193 HD2 PHE 25 HD2 PHE 25 13.146 -0.940 -1.629
194 HE1 PHE 25 HE1 PHE 25 15.842 1.617 1.657
195 HE2 PHE 25 HE2 PHE 25 14.761 0.771 -2.413
196 HZ PHE 25 HZ PHE 25 16.109 2.049 -0.769
197 H ALA 26 H ALA 26 12.252 -3.657 3.346
198 HA ALA 26 HA ALA 26 14.269 -2.674 5.159
199 HB1 ALA 26 HB1 ALA 26 12.915 -3.899 6.815
200 HB2 ALA 26 HB2 ALA 26 12.118 -4.789 5.517
201 HB3 ALA 26 HB3 ALA 26 11.863 -3.051 5.681
202 H HIS 27 H HIS 27 13.618 -5.878 3.738
203 HA HIS 27 HA HIS 27 16.048 -6.979 5.085
204 HB2 HIS 27 HB2 HIS 27 13.604 -7.978 5.038
205 HB3 HIS 27 HB3 HIS 27 14.072 -8.540 3.434
206 HD1 HIS 27 HD1 HIS 27 16.390 -9.984 3.380
207 HD2 HIS 27 HD2 HIS 27 14.544 -9.582 7.097
208 HE1 HIS 27 HE1 HIS 27 17.376 -11.781 4.869
209 H LEU 28 H LEU 28 16.742 -5.206 3.096
210 HA LEU 28 HA LEU 28 17.318 -6.873 0.673
211 HB2 LEU 28 HB2 LEU 28 16.143 -4.421 0.922
212 HB3 LEU 28 HB3 LEU 28 17.827 -3.951 0.689
213 HG LEU 28 HG LEU 28 17.863 -5.526 -1.313
214 HD11 LEU 28 HD11 LEU 28 14.859 -5.377 -0.906
215 HD12 LEU 28 HD12 LEU 28 15.845 -6.820 -0.673
216 HD13 LEU 28 HD13 LEU 28 15.679 -6.114 -2.281
217 HD21 LEU 28 HD21 LEU 28 16.109 -3.065 -1.201
218 HD22 LEU 28 HD22 LEU 28 16.456 -3.890 -2.721
219 HD23 LEU 28 HD23 LEU 28 17.772 -3.193 -1.775
220 H LEU 29 H LEU 29 18.844 -4.411 2.796
221 HA LEU 29 HA LEU 29 21.083 -4.089 3.436
222 HB2 LEU 29 HB2 LEU 29 20.594 -6.440 4.198
223 HB3 LEU 29 HB3 LEU 29 21.311 -7.020 2.695
224 HG LEU 29 HG LEU 29 23.237 -5.278 3.598
225 HD11 LEU 29 HD11 LEU 29 22.240 -6.788 6.026
226 HD12 LEU 29 HD12 LEU 29 21.879 -5.086 5.738
227 HD13 LEU 29 HD13 LEU 29 23.548 -5.608 5.957
228 HD21 LEU 29 HD21 LEU 29 23.648 -7.525 2.727
229 HD22 LEU 29 HD22 LEU 29 22.927 -8.243 4.168
230 HD23 LEU 29 HD23 LEU 29 24.445 -7.354 4.291
231 HA PRO 30 HA PRO 30 22.441 -3.610 -0.927
232 HB2 PRO 30 HB2 PRO 30 23.272 -1.018 -0.617
233 HB3 PRO 30 HB3 PRO 30 21.591 -1.457 -0.977
234 HG2 PRO 30 HG2 PRO 30 22.834 -0.700 1.619
235 HG3 PRO 30 HG3 PRO 30 21.243 -0.283 0.965
236 HD2 PRO 30 HD2 PRO 30 21.638 -2.224 2.844
237 HD3 PRO 30 HD3 PRO 30 20.291 -2.234 1.686
238 H ARG 31 H ARG 31 24.114 -5.195 -0.022
239 HA ARG 31 HA ARG 31 26.720 -3.783 0.430
240 HB2 ARG 31 HB2 ARG 31 25.378 -6.002 1.969
241 HB3 ARG 31 HB3 ARG 31 27.135 -5.862 1.972
242 HG2 ARG 31 HG2 ARG 31 26.949 -3.529 2.769
243 HG3 ARG 31 HG3 ARG 31 25.191 -3.677 2.779
244 HD2 ARG 31 HD2 ARG 31 25.352 -4.462 4.902
245 HD3 ARG 31 HD3 ARG 31 26.152 -5.903 4.245
246 HE ARG 31 HE ARG 31 28.281 -4.929 4.765
247 HH11 ARG 31 HH11 ARG 31 26.866 -4.006 7.246
248 HH12 ARG 31 HH12 ARG 31 27.251 -2.319 7.278
249 HH21 ARG 31 HH21 ARG 31 28.258 -2.216 3.952
250 HH22 ARG 31 HH22 ARG 31 28.043 -1.301 5.406
Start of MODEL 15
1 HA ASP 1 HA ASP 1 -16.528 16.357 -9.574
2 HB2 ASP 1 HB2 ASP 1 -18.273 15.673 -11.911
3 HB3 ASP 1 HB3 ASP 1 -18.462 14.720 -10.437
4 H THR 2 H THR 2 -15.594 14.622 -8.542
5 HA THR 2 HA THR 2 -14.610 12.343 -10.234
6 HB THR 2 HB THR 2 -13.002 12.211 -8.120
7 HG1 THR 2 HG1 THR 2 -13.355 14.985 -8.164
8 HG21 THR 2 HG21 THR 2 -11.453 13.785 -9.294
9 HG22 THR 2 HG22 THR 2 -12.798 14.280 -10.322
10 HG23 THR 2 HG23 THR 2 -12.212 12.618 -10.377
11 H GLU 3 H GLU 3 -14.563 10.226 -9.106
12 HA GLU 3 HA GLU 3 -15.602 8.504 -7.886
13 HB2 GLU 3 HB2 GLU 3 -14.873 10.599 -6.162
14 HB3 GLU 3 HB3 GLU 3 -16.512 10.169 -5.677
15 HG2 GLU 3 HG2 GLU 3 -15.653 7.708 -5.816
16 HG3 GLU 3 HG3 GLU 3 -14.049 8.438 -5.733
17 H ILE 4 H ILE 4 -17.296 8.707 -9.678
18 HA ILE 4 HA ILE 4 -19.852 9.968 -8.873
19 HB ILE 4 HB ILE 4 -18.825 10.068 -11.189
20 HG12 ILE 4 HG12 ILE 4 -21.519 8.695 -11.216
21 HG13 ILE 4 HG13 ILE 4 -21.317 10.337 -10.605
22 HG21 ILE 4 HG21 ILE 4 -18.087 7.646 -11.164
23 HG22 ILE 4 HG22 ILE 4 -18.946 8.132 -12.624
24 HG23 ILE 4 HG23 ILE 4 -19.778 7.197 -11.383
25 HD11 ILE 4 HD11 ILE 4 -20.323 11.011 -12.773
26 HD12 ILE 4 HD12 ILE 4 -21.959 10.386 -12.976
27 HD13 ILE 4 HD13 ILE 4 -20.573 9.375 -13.384
28 H ILE 5 H ILE 5 -18.396 6.759 -9.051
29 HA ILE 5 HA ILE 5 -20.812 5.626 -7.739
30 HB ILE 5 HB ILE 5 -20.975 5.425 -10.252
31 HG12 ILE 5 HG12 ILE 5 -20.592 2.687 -9.050
32 HG13 ILE 5 HG13 ILE 5 -21.888 3.741 -8.485
33 HG21 ILE 5 HG21 ILE 5 -18.513 5.150 -10.624
34 HG22 ILE 5 HG22 ILE 5 -19.476 3.903 -11.416
35 HG23 ILE 5 HG23 ILE 5 -18.624 3.538 -9.915
36 HD11 ILE 5 HD11 ILE 5 -22.580 2.179 -10.335
37 HD12 ILE 5 HD12 ILE 5 -21.455 3.024 -11.397
38 HD13 ILE 5 HD13 ILE 5 -22.832 3.884 -10.707
39 H GLY 6 H GLY 6 -20.332 3.574 -6.656
40 HA2 GLY 6 HA2 GLY 6 -18.686 1.798 -6.118
41 HA3 GLY 6 HA3 GLY 6 -17.412 2.997 -6.346
42 H GLY 7 H GLY 7 -17.711 5.004 -4.839
43 HA2 GLY 7 HA2 GLY 7 -18.229 5.901 -2.683
44 HA3 GLY 7 HA3 GLY 7 -18.943 4.351 -2.234
45 H LEU 8 H LEU 8 -15.696 5.245 -3.457
46 HA LEU 8 HA LEU 8 -13.555 4.662 -2.665
47 HB2 LEU 8 HB2 LEU 8 -15.189 5.230 -0.182
48 HB3 LEU 8 HB3 LEU 8 -13.456 4.914 -0.101
49 HG LEU 8 HG LEU 8 -14.156 6.858 -2.181
50 HD11 LEU 8 HD11 LEU 8 -14.801 7.454 0.721
51 HD12 LEU 8 HD12 LEU 8 -15.910 7.520 -0.648
52 HD13 LEU 8 HD13 LEU 8 -14.599 8.692 -0.519
53 HD21 LEU 8 HD21 LEU 8 -12.321 8.103 -1.058
54 HD22 LEU 8 HD22 LEU 8 -11.863 6.435 -1.402
55 HD23 LEU 8 HD23 LEU 8 -12.318 6.903 0.236
56 H THR 9 H THR 9 -15.004 2.389 -3.420
57 HA THR 9 HA THR 9 -14.824 0.402 -1.230
58 HB THR 9 HB THR 9 -15.671 -1.074 -3.181
59 HG1 THR 9 HG1 THR 9 -15.106 0.131 -4.923
60 HG21 THR 9 HG21 THR 9 -17.214 -0.288 -1.517
61 HG22 THR 9 HG22 THR 9 -17.949 0.026 -3.088
62 HG23 THR 9 HG23 THR 9 -17.196 1.343 -2.188
63 H ILE 10 H ILE 10 -12.328 1.173 -1.432
64 HA ILE 10 HA ILE 10 -10.761 -0.041 -3.557
65 HB ILE 10 HB ILE 10 -8.865 0.578 -2.022
66 HG12 ILE 10 HG12 ILE 10 -10.431 2.118 -0.145
67 HG13 ILE 10 HG13 ILE 10 -10.906 0.423 -0.055
68 HG21 ILE 10 HG21 ILE 10 -10.110 2.185 -3.608
69 HG22 ILE 10 HG22 ILE 10 -9.118 2.908 -2.342
70 HG23 ILE 10 HG23 ILE 10 -10.870 2.830 -2.153
71 HD11 ILE 10 HD11 ILE 10 -8.981 1.037 1.457
72 HD12 ILE 10 HD12 ILE 10 -8.026 1.357 0.010
73 HD13 ILE 10 HD13 ILE 10 -8.626 -0.271 0.328
74 HA PRO 11 HA PRO 11 -10.661 -4.135 -1.875
75 HB2 PRO 11 HB2 PRO 11 -8.611 -5.125 -3.391
76 HB3 PRO 11 HB3 PRO 11 -10.245 -4.858 -4.031
77 HG2 PRO 11 HG2 PRO 11 -7.794 -3.215 -4.357
78 HG3 PRO 11 HG3 PRO 11 -9.100 -3.537 -5.504
79 HD2 PRO 11 HD2 PRO 11 -8.835 -1.209 -4.068
80 HD3 PRO 11 HD3 PRO 11 -10.369 -1.809 -4.734
81 HA PRO 12 HA PRO 12 -7.463 -3.903 1.179
82 HB2 PRO 12 HB2 PRO 12 -7.499 -6.501 2.045
83 HB3 PRO 12 HB3 PRO 12 -8.757 -5.321 2.463
84 HG2 PRO 12 HG2 PRO 12 -8.788 -7.467 0.401
85 HG3 PRO 12 HG3 PRO 12 -10.080 -6.920 1.480
86 HD2 PRO 12 HD2 PRO 12 -9.921 -6.213 -1.145
87 HD3 PRO 12 HD3 PRO 12 -10.685 -5.198 0.098
88 H VAL 13 H VAL 13 -7.307 -6.149 -1.508
89 HA VAL 13 HA VAL 13 -4.761 -7.352 -1.098
90 HB VAL 13 HB VAL 13 -6.206 -6.478 -3.626
91 HG11 VAL 13 HG11 VAL 13 -3.719 -8.077 -3.150
92 HG12 VAL 13 HG12 VAL 13 -4.104 -6.968 -4.466
93 HG13 VAL 13 HG13 VAL 13 -4.802 -8.587 -4.446
94 HG21 VAL 13 HG21 VAL 13 -6.643 -9.080 -3.560
95 HG22 VAL 13 HG22 VAL 13 -7.641 -8.002 -2.585
96 HG23 VAL 13 HG23 VAL 13 -6.315 -8.894 -1.838
97 H VAL 14 H VAL 14 -5.634 -4.172 -2.454
98 HA VAL 14 HA VAL 14 -3.080 -3.403 -3.470
99 HB VAL 14 HB VAL 14 -5.330 -1.790 -2.208
100 HG11 VAL 14 HG11 VAL 14 -3.242 -0.819 -4.174
101 HG12 VAL 14 HG12 VAL 14 -3.073 -0.615 -2.430
102 HG13 VAL 14 HG13 VAL 14 -4.417 0.145 -3.281
103 HG21 VAL 14 HG21 VAL 14 -6.380 -1.830 -4.255
104 HG22 VAL 14 HG22 VAL 14 -5.520 -3.363 -4.395
105 HG23 VAL 14 HG23 VAL 14 -4.862 -1.911 -5.149
106 H ALA 15 H ALA 15 -4.509 -2.989 -0.213
107 HA ALA 15 HA ALA 15 -2.289 -1.592 0.964
108 HB1 ALA 15 HB1 ALA 15 -3.404 -2.518 3.091
109 HB2 ALA 15 HB2 ALA 15 -4.546 -3.319 2.011
110 HB3 ALA 15 HB3 ALA 15 -4.432 -1.559 2.026
111 H LEU 16 H LEU 16 -3.061 -5.053 0.631
112 HA LEU 16 HA LEU 16 -0.932 -6.067 2.291
113 HB2 LEU 16 HB2 LEU 16 -3.021 -7.252 1.519
114 HB3 LEU 16 HB3 LEU 16 -2.316 -7.338 -0.095
115 HG LEU 16 HG LEU 16 -0.449 -8.276 1.938
116 HD11 LEU 16 HD11 LEU 16 -2.563 -8.917 3.079
117 HD12 LEU 16 HD12 LEU 16 -1.651 -10.326 2.537
118 HD13 LEU 16 HD13 LEU 16 -3.063 -9.786 1.627
119 HD21 LEU 16 HD21 LEU 16 -0.208 -10.112 0.382
120 HD22 LEU 16 HD22 LEU 16 -0.379 -8.634 -0.565
121 HD23 LEU 16 HD23 LEU 16 -1.750 -9.730 -0.385
122 H VAL 17 H VAL 17 -1.164 -5.383 -1.214
123 HA VAL 17 HA VAL 17 1.364 -6.470 -1.999
124 HB VAL 17 HB VAL 17 -0.406 -4.242 -3.053
125 HG11 VAL 17 HG11 VAL 17 0.956 -4.745 -5.222
126 HG12 VAL 17 HG12 VAL 17 2.187 -5.353 -4.115
127 HG13 VAL 17 HG13 VAL 17 1.664 -3.672 -4.015
128 HG21 VAL 17 HG21 VAL 17 -1.220 -5.887 -4.565
129 HG22 VAL 17 HG22 VAL 17 -1.126 -6.721 -3.015
130 HG23 VAL 17 HG23 VAL 17 0.126 -6.977 -4.230
131 H VAL 18 H VAL 18 0.469 -3.271 -0.709
132 HA VAL 18 HA VAL 18 3.107 -2.090 -1.069
133 HB VAL 18 HB VAL 18 0.725 -1.381 0.686
134 HG11 VAL 18 HG11 VAL 18 2.673 -0.257 1.558
135 HG12 VAL 18 HG12 VAL 18 1.768 0.925 0.613
136 HG13 VAL 18 HG13 VAL 18 3.215 0.177 -0.063
137 HG21 VAL 18 HG21 VAL 18 1.189 -1.222 -2.149
138 HG22 VAL 18 HG22 VAL 18 1.111 0.412 -1.493
139 HG23 VAL 18 HG23 VAL 18 -0.230 -0.705 -1.241
140 H MET 19 H MET 19 1.484 -3.890 1.521
141 HA MET 19 HA MET 19 3.349 -3.323 3.637
142 HB2 MET 19 HB2 MET 19 0.973 -4.382 3.624
143 HB3 MET 19 HB3 MET 19 1.808 -5.896 3.277
144 HG2 MET 19 HG2 MET 19 3.311 -4.951 5.350
145 HG3 MET 19 HG3 MET 19 1.721 -4.320 5.780
146 HE1 MET 19 HE1 MET 19 -0.473 -6.566 4.890
147 HE2 MET 19 HE2 MET 19 -0.205 -5.384 6.168
148 HE3 MET 19 HE3 MET 19 -0.481 -7.074 6.584
149 H SER 20 H SER 20 3.125 -6.089 1.355
150 HA SER 20 HA SER 20 5.445 -7.482 2.289
151 HB2 SER 20 HB2 SER 20 5.277 -8.555 0.009
152 HB3 SER 20 HB3 SER 20 3.760 -8.532 0.901
153 HG SER 20 HG SER 20 2.952 -7.328 -0.614
154 H ARG 21 H ARG 21 5.059 -4.984 -0.251
155 HA ARG 21 HA ARG 21 7.755 -5.061 -1.221
156 HB2 ARG 21 HB2 ARG 21 7.015 -3.325 -2.537
157 HB3 ARG 21 HB3 ARG 21 5.446 -3.844 -1.941
158 HG2 ARG 21 HG2 ARG 21 5.250 -1.636 -1.379
159 HG3 ARG 21 HG3 ARG 21 6.153 -2.136 0.049
160 HD2 ARG 21 HD2 ARG 21 8.276 -1.503 -1.063
161 HD3 ARG 21 HD3 ARG 21 7.364 -0.992 -2.497
162 HE ARG 21 HE ARG 21 6.352 0.240 -0.060
163 HH11 ARG 21 HH11 ARG 21 9.235 0.947 0.046
164 HH12 ARG 21 HH12 ARG 21 9.312 2.387 -0.915
165 HH21 ARG 21 HH21 ARG 21 6.222 1.854 -2.424
166 HH22 ARG 21 HH22 ARG 21 7.598 2.901 -2.321
167 H PHE 22 H PHE 22 6.306 -3.517 1.604
168 HA PHE 22 HA PHE 22 8.493 -1.736 2.237
169 HB2 PHE 22 HB2 PHE 22 5.973 -1.985 3.068
170 HB3 PHE 22 HB3 PHE 22 6.718 -2.989 4.311
171 HD1 PHE 22 HD1 PHE 22 8.698 -2.003 5.631
172 HD2 PHE 22 HD2 PHE 22 6.044 0.368 3.225
173 HE1 PHE 22 HE1 PHE 22 9.412 0.034 6.849
174 HE2 PHE 22 HE2 PHE 22 6.758 2.405 4.443
175 HZ PHE 22 HZ PHE 22 8.443 2.239 6.255
176 H GLY 23 H GLY 23 7.625 -5.042 3.303
177 HA2 GLY 23 HA2 GLY 23 9.879 -5.381 5.060
178 HA3 GLY 23 HA3 GLY 23 8.899 -6.687 4.391
179 H PHE 24 H PHE 24 9.388 -5.892 1.593
180 HA PHE 24 HA PHE 24 11.719 -7.446 1.028
181 HB2 PHE 24 HB2 PHE 24 9.777 -5.722 -0.398
182 HB3 PHE 24 HB3 PHE 24 11.340 -5.885 -1.197
183 HD1 PHE 24 HD1 PHE 24 12.307 -8.395 -1.165
184 HD2 PHE 24 HD2 PHE 24 8.157 -7.325 -0.876
185 HE1 PHE 24 HE1 PHE 24 11.669 -10.657 -1.953
186 HE2 PHE 24 HE2 PHE 24 7.519 -9.587 -1.665
187 HZ PHE 24 HZ PHE 24 9.275 -11.253 -2.203
188 H PHE 25 H PHE 25 11.258 -3.879 0.908
189 HA PHE 25 HA PHE 25 14.006 -3.267 0.296
190 HB2 PHE 25 HB2 PHE 25 11.805 -1.873 0.145
191 HB3 PHE 25 HB3 PHE 25 12.123 -1.481 1.835
192 HD1 PHE 25 HD1 PHE 25 13.699 -1.452 -1.558
193 HD2 PHE 25 HD2 PHE 25 13.672 0.202 2.407
194 HE1 PHE 25 HE2 PHE 25 15.349 0.261 -2.261
195 HE2 PHE 25 HE1 PHE 25 15.322 1.914 1.703
196 HZ PHE 25 HZ PHE 25 16.160 1.944 -0.631
197 H ALA 26 H ALA 26 12.283 -3.803 3.350
198 HA ALA 26 HA ALA 26 14.156 -2.707 5.186
199 HB1 ALA 26 HB1 ALA 26 12.527 -5.241 5.533
200 HB2 ALA 26 HB2 ALA 26 11.811 -3.630 5.569
201 HB3 ALA 26 HB3 ALA 26 13.004 -4.093 6.784
202 H HIS 27 H HIS 27 14.044 -5.952 3.674
203 HA HIS 27 HA HIS 27 16.708 -6.573 4.890
204 HB2 HIS 27 HB2 HIS 27 14.405 -7.992 4.863
205 HB3 HIS 27 HB3 HIS 27 15.122 -8.585 3.365
206 HD1 HIS 27 HD1 HIS 27 17.403 -9.860 3.549
207 HD2 HIS 27 HD2 HIS 27 15.745 -8.802 7.225
208 HE1 HIS 27 HE1 HIS 27 18.672 -11.165 5.311
209 H LEU 28 H LEU 28 16.061 -4.860 2.372
210 HA LEU 28 HA LEU 28 18.152 -6.071 0.664
211 HB2 LEU 28 HB2 LEU 28 15.631 -6.840 0.202
212 HB3 LEU 28 HB3 LEU 28 15.589 -5.315 -0.682
213 HG LEU 28 HG LEU 28 17.963 -6.319 -1.554
214 HD11 LEU 28 HD11 LEU 28 16.133 -8.656 -0.952
215 HD12 LEU 28 HD12 LEU 28 17.800 -8.433 -0.421
216 HD13 LEU 28 HD13 LEU 28 17.450 -8.741 -2.122
217 HD21 LEU 28 HD21 LEU 28 16.730 -6.972 -3.594
218 HD22 LEU 28 HD22 LEU 28 16.116 -5.450 -2.948
219 HD23 LEU 28 HD23 LEU 28 15.216 -6.945 -2.688
220 H LEU 29 H LEU 29 18.169 -3.662 2.187
221 HA LEU 29 HA LEU 29 17.567 -1.421 0.368
222 HB2 LEU 29 HB2 LEU 29 18.392 -0.077 2.286
223 HB3 LEU 29 HB3 LEU 29 17.192 -1.260 2.798
224 HG LEU 29 HG LEU 29 19.727 -2.545 2.939
225 HD11 LEU 29 HD11 LEU 29 20.953 -1.088 4.469
226 HD12 LEU 29 HD12 LEU 29 19.692 0.140 4.349
227 HD13 LEU 29 HD13 LEU 29 20.686 -0.244 2.944
228 HD21 LEU 29 HD21 LEU 29 18.051 -1.391 5.186
229 HD22 LEU 29 HD22 LEU 29 19.144 -2.773 5.277
230 HD23 LEU 29 HD23 LEU 29 17.656 -2.886 4.339
231 HA PRO 30 HA PRO 30 21.617 -1.549 -1.436
232 HB2 PRO 30 HB2 PRO 30 21.488 0.825 -2.789
233 HB3 PRO 30 HB3 PRO 30 20.641 -0.638 -3.322
234 HG2 PRO 30 HG2 PRO 30 19.583 1.753 -1.919
235 HG3 PRO 30 HG3 PRO 30 18.822 0.734 -3.149
236 HD2 PRO 30 HD2 PRO 30 18.285 0.599 -0.451
237 HD3 PRO 30 HD3 PRO 30 18.000 -0.720 -1.606
238 H ARG 31 H ARG 31 22.260 -1.143 1.011
239 HA ARG 31 HA ARG 31 24.079 1.157 1.066
240 HB2 ARG 31 HB2 ARG 31 21.500 1.623 1.860
241 HB3 ARG 31 HB3 ARG 31 22.239 1.154 3.391
242 HG2 ARG 31 HG2 ARG 31 23.426 3.242 1.545
243 HG3 ARG 31 HG3 ARG 31 22.347 3.633 2.882
244 HD2 ARG 31 HD2 ARG 31 24.918 2.051 3.236
245 HD3 ARG 31 HD3 ARG 31 24.804 3.806 3.474
246 HE ARG 31 HE ARG 31 22.787 3.057 5.057
247 HH11 ARG 31 HH11 ARG 31 23.553 0.198 5.079
248 HH12 ARG 31 HH12 ARG 31 24.630 0.097 6.430
249 HH21 ARG 31 HH21 ARG 31 25.174 3.526 6.591
250 HH22 ARG 31 HH22 ARG 31 25.550 1.988 7.291
Start of MODEL 16
1 HA ASP 1 HA ASP 1 -27.705 -5.795 -0.126
2 HB2 ASP 1 HB2 ASP 1 -29.546 -6.756 1.259
3 HB3 ASP 1 HB3 ASP 1 -29.831 -6.979 -0.465
4 H THR 2 H THR 2 -27.658 -5.795 2.401
5 HA THR 2 HA THR 2 -25.102 -6.920 3.256
6 HB THR 2 HB THR 2 -26.097 -4.669 3.872
7 HG1 THR 2 HG1 THR 2 -24.719 -4.859 5.414
8 HG21 THR 2 HG21 THR 2 -27.958 -4.466 5.205
9 HG22 THR 2 HG22 THR 2 -27.654 -5.987 6.042
10 HG23 THR 2 HG23 THR 2 -28.370 -5.996 4.431
11 H GLU 3 H GLU 3 -24.797 -8.502 4.926
12 HA GLU 3 HA GLU 3 -27.131 -10.333 5.320
13 HB2 GLU 3 HB2 GLU 3 -24.146 -10.610 5.146
14 HB3 GLU 3 HB3 GLU 3 -25.063 -11.832 6.025
15 HG2 GLU 3 HG2 GLU 3 -26.378 -12.363 4.088
16 HG3 GLU 3 HG3 GLU 3 -25.754 -10.968 3.208
17 H ILE 4 H ILE 4 -24.178 -9.939 7.254
18 HA ILE 4 HA ILE 4 -25.854 -9.164 9.614
19 HB ILE 4 HB ILE 4 -23.710 -11.313 9.419
20 HG12 ILE 4 HG12 ILE 4 -26.110 -12.270 10.575
21 HG13 ILE 4 HG13 ILE 4 -26.594 -11.324 9.167
22 HG21 ILE 4 HG21 ILE 4 -24.125 -11.705 11.804
23 HG22 ILE 4 HG22 ILE 4 -25.295 -10.385 11.835
24 HG23 ILE 4 HG23 ILE 4 -23.588 -10.044 11.554
25 HD11 ILE 4 HD11 ILE 4 -26.185 -13.635 8.489
26 HD12 ILE 4 HD12 ILE 4 -24.571 -13.581 9.200
27 HD13 ILE 4 HD13 ILE 4 -24.946 -12.590 7.790
28 H ILE 5 H ILE 5 -22.401 -9.713 8.740
29 HA ILE 5 HA ILE 5 -21.771 -7.056 9.990
30 HB ILE 5 HB ILE 5 -19.585 -8.073 10.538
31 HG12 ILE 5 HG12 ILE 5 -20.242 -10.840 10.025
32 HG13 ILE 5 HG13 ILE 5 -20.324 -9.925 8.520
33 HG21 ILE 5 HG21 ILE 5 -20.351 -9.237 12.377
34 HG22 ILE 5 HG22 ILE 5 -21.546 -10.138 11.445
35 HG23 ILE 5 HG23 ILE 5 -21.852 -8.456 11.880
36 HD11 ILE 5 HD11 ILE 5 -17.985 -10.003 10.447
37 HD12 ILE 5 HD12 ILE 5 -18.068 -8.980 9.014
38 HD13 ILE 5 HD13 ILE 5 -18.044 -10.735 8.844
39 H GLY 6 H GLY 6 -19.351 -6.477 9.063
40 HA2 GLY 6 HA2 GLY 6 -18.740 -7.126 6.350
41 HA3 GLY 6 HA3 GLY 6 -19.707 -5.653 6.369
42 H GLY 7 H GLY 7 -16.792 -6.128 5.713
43 HA2 GLY 7 HA2 GLY 7 -15.754 -3.860 7.302
44 HA3 GLY 7 HA3 GLY 7 -14.849 -5.369 7.414
45 H LEU 8 H LEU 8 -16.278 -3.299 4.851
46 HA LEU 8 HA LEU 8 -13.834 -3.856 3.196
47 HB2 LEU 8 HB2 LEU 8 -16.763 -3.595 2.661
48 HB3 LEU 8 HB3 LEU 8 -15.662 -3.020 1.410
49 HG LEU 8 HG LEU 8 -14.853 -5.610 2.509
50 HD11 LEU 8 HD11 LEU 8 -17.239 -5.984 2.758
51 HD12 LEU 8 HD12 LEU 8 -16.687 -6.860 1.331
52 HD13 LEU 8 HD13 LEU 8 -17.550 -5.333 1.149
53 HD21 LEU 8 HD21 LEU 8 -13.935 -4.600 0.452
54 HD22 LEU 8 HD22 LEU 8 -15.539 -4.626 -0.282
55 HD23 LEU 8 HD23 LEU 8 -14.716 -6.140 0.093
56 H THR 9 H THR 9 -13.894 -1.759 5.200
57 HA THR 9 HA THR 9 -14.522 0.804 3.994
58 HB THR 9 HB THR 9 -14.377 0.198 6.458
59 HG1 THR 9 HG1 THR 9 -14.424 2.337 5.973
60 HG21 THR 9 HG21 THR 9 -12.111 -0.990 6.078
61 HG22 THR 9 HG22 THR 9 -12.283 -0.008 7.532
62 HG23 THR 9 HG23 THR 9 -11.408 0.627 6.139
63 H ILE 10 H ILE 10 -11.791 -1.337 3.798
64 HA ILE 10 HA ILE 10 -10.399 0.612 2.036
65 HB ILE 10 HB ILE 10 -9.750 0.261 4.702
66 HG12 ILE 10 HG12 ILE 10 -7.364 0.938 3.266
67 HG13 ILE 10 HG13 ILE 10 -8.747 1.621 2.410
68 HG21 ILE 10 HG21 ILE 10 -7.641 -0.979 4.778
69 HG22 ILE 10 HG22 ILE 10 -7.796 -1.387 3.069
70 HG23 ILE 10 HG23 ILE 10 -8.942 -2.041 4.240
71 HD11 ILE 10 HD11 ILE 10 -8.109 1.984 5.352
72 HD12 ILE 10 HD12 ILE 10 -9.554 2.601 4.551
73 HD13 ILE 10 HD13 ILE 10 -7.963 3.212 4.094
74 HA PRO 11 HA PRO 11 -9.598 -3.075 -0.243
75 HB2 PRO 11 HB2 PRO 11 -7.372 -2.348 -1.652
76 HB3 PRO 11 HB3 PRO 11 -8.985 -1.693 -1.988
77 HG2 PRO 11 HG2 PRO 11 -6.687 -0.440 -0.624
78 HG3 PRO 11 HG3 PRO 11 -7.985 0.301 -1.569
79 HD2 PRO 11 HD2 PRO 11 -7.789 0.246 1.222
80 HD3 PRO 11 HD3 PRO 11 -9.231 0.678 0.281
81 HA PRO 12 HA PRO 12 -6.589 -5.067 2.448
82 HB2 PRO 12 HB2 PRO 12 -7.225 -7.632 1.731
83 HB3 PRO 12 HB3 PRO 12 -8.190 -6.678 2.874
84 HG2 PRO 12 HG2 PRO 12 -8.683 -7.249 -0.003
85 HG3 PRO 12 HG3 PRO 12 -9.830 -7.138 1.340
86 HD2 PRO 12 HD2 PRO 12 -9.436 -5.148 -0.494
87 HD3 PRO 12 HD3 PRO 12 -10.015 -4.867 1.163
88 H VAL 13 H VAL 13 -7.047 -5.864 -1.001
89 HA VAL 13 HA VAL 13 -4.578 -7.257 -1.426
90 HB VAL 13 HB VAL 13 -6.394 -5.607 -3.216
91 HG11 VAL 13 HG11 VAL 13 -3.961 -7.277 -3.847
92 HG12 VAL 13 HG12 VAL 13 -4.373 -5.666 -4.433
93 HG13 VAL 13 HG13 VAL 13 -5.252 -7.073 -5.032
94 HG21 VAL 13 HG21 VAL 13 -7.434 -7.601 -2.229
95 HG22 VAL 13 HG22 VAL 13 -6.078 -8.593 -2.762
96 HG23 VAL 13 HG23 VAL 13 -7.157 -7.862 -3.950
97 H VAL 14 H VAL 14 -5.418 -3.789 -1.786
98 HA VAL 14 HA VAL 14 -2.921 -2.858 -2.788
99 HB VAL 14 HB VAL 14 -5.026 -1.582 -1.004
100 HG11 VAL 14 HG11 VAL 14 -2.753 -0.314 -2.566
101 HG12 VAL 14 HG12 VAL 14 -2.953 -0.306 -0.814
102 HG13 VAL 14 HG13 VAL 14 -4.086 0.581 -1.834
103 HG21 VAL 14 HG21 VAL 14 -4.522 -1.384 -3.994
104 HG22 VAL 14 HG22 VAL 14 -5.842 -0.621 -3.107
105 HG23 VAL 14 HG23 VAL 14 -5.776 -2.377 -3.249
106 H ALA 15 H ALA 15 -4.045 -3.232 0.591
107 HA ALA 15 HA ALA 15 -1.690 -2.199 1.866
108 HB1 ALA 15 HB1 ALA 15 -3.946 -4.057 2.627
109 HB2 ALA 15 HB2 ALA 15 -3.673 -2.393 3.144
110 HB3 ALA 15 HB3 ALA 15 -2.654 -3.689 3.769
111 H LEU 16 H LEU 16 -2.602 -5.500 0.847
112 HA LEU 16 HA LEU 16 -0.353 -6.870 1.994
113 HB2 LEU 16 HB2 LEU 16 -2.650 -7.613 0.854
114 HB3 LEU 16 HB3 LEU 16 -1.624 -7.748 -0.574
115 HG LEU 16 HG LEU 16 -0.038 -9.153 0.814
116 HD11 LEU 16 HD11 LEU 16 -0.598 -8.610 3.048
117 HD12 LEU 16 HD12 LEU 16 -1.250 -10.233 2.828
118 HD13 LEU 16 HD13 LEU 16 -2.324 -8.836 2.762
119 HD21 LEU 16 HD21 LEU 16 -2.888 -10.142 0.463
120 HD22 LEU 16 HD22 LEU 16 -1.483 -11.180 0.704
121 HD23 LEU 16 HD23 LEU 16 -1.611 -10.195 -0.753
122 H VAL 17 H VAL 17 -0.837 -5.282 -1.163
123 HA VAL 17 HA VAL 17 1.636 -6.139 -2.373
124 HB VAL 17 HB VAL 17 -0.192 -3.747 -2.793
125 HG11 VAL 17 HG11 VAL 17 2.309 -4.622 -4.184
126 HG12 VAL 17 HG12 VAL 17 1.690 -2.993 -3.907
127 HG13 VAL 17 HG13 VAL 17 0.988 -3.999 -5.173
128 HG21 VAL 17 HG21 VAL 17 -0.021 -5.908 -4.797
129 HG22 VAL 17 HG22 VAL 17 -1.441 -5.107 -4.127
130 HG23 VAL 17 HG23 VAL 17 -0.668 -6.419 -3.239
131 H VAL 18 H VAL 18 0.735 -3.256 -0.457
132 HA VAL 18 HA VAL 18 3.214 -1.842 -0.667
133 HB VAL 18 HB VAL 18 0.997 -1.982 1.397
134 HG11 VAL 18 HG11 VAL 18 3.536 -0.363 1.391
135 HG12 VAL 18 HG12 VAL 18 2.739 -1.175 2.739
136 HG13 VAL 18 HG13 VAL 18 2.062 0.316 2.083
137 HG21 VAL 18 HG21 VAL 18 1.789 0.112 -0.655
138 HG22 VAL 18 HG22 VAL 18 0.397 0.202 0.423
139 HG23 VAL 18 HG23 VAL 18 0.463 -1.036 -0.831
140 H MET 19 H MET 19 2.148 -4.457 1.489
141 HA MET 19 HA MET 19 4.401 -4.385 3.296
142 HB2 MET 19 HB2 MET 19 2.059 -5.523 3.442
143 HB3 MET 19 HB3 MET 19 2.806 -6.836 2.532
144 HG2 MET 19 HG2 MET 19 3.954 -7.568 4.339
145 HG3 MET 19 HG3 MET 19 4.466 -5.937 4.771
146 HE1 MET 19 HE1 MET 19 2.150 -8.778 5.059
147 HE2 MET 19 HE2 MET 19 0.855 -7.745 4.460
148 HE3 MET 19 HE3 MET 19 0.824 -8.306 6.130
149 H SER 20 H SER 20 3.767 -6.047 0.213
150 HA SER 20 HA SER 20 6.276 -7.571 0.281
151 HB2 SER 20 HB2 SER 20 4.049 -7.090 -1.701
152 HB3 SER 20 HB3 SER 20 5.475 -8.030 -2.131
153 HG SER 20 HG SER 20 3.519 -9.126 -1.164
154 H ARG 21 H ARG 21 5.551 -4.327 -0.387
155 HA ARG 21 HA ARG 21 7.723 -4.056 -2.420
156 HB2 ARG 21 HB2 ARG 21 5.186 -2.726 -1.760
157 HB3 ARG 21 HB3 ARG 21 6.502 -1.586 -2.036
158 HG2 ARG 21 HG2 ARG 21 6.027 -3.871 -3.942
159 HG3 ARG 21 HG3 ARG 21 5.108 -2.373 -4.087
160 HD2 ARG 21 HD2 ARG 21 8.145 -2.445 -3.987
161 HD3 ARG 21 HD3 ARG 21 7.216 -2.423 -5.498
162 HE ARG 21 HE ARG 21 6.088 -0.314 -4.331
163 HH11 ARG 21 HH11 ARG 21 8.263 -0.326 -2.210
164 HH12 ARG 21 HH12 ARG 21 9.383 0.825 -2.859
165 HH21 ARG 21 HH21 ARG 21 8.017 0.744 -6.055
166 HH22 ARG 21 HH22 ARG 21 9.244 1.432 -5.045
167 H PHE 22 H PHE 22 6.537 -2.304 0.487
168 HA PHE 22 HA PHE 22 9.209 -1.148 0.954
169 HB2 PHE 22 HB2 PHE 22 6.624 -0.349 1.390
170 HB3 PHE 22 HB3 PHE 22 7.072 -0.926 2.996
171 HD1 PHE 22 HD1 PHE 22 9.400 -0.129 3.906
172 HD2 PHE 22 HD2 PHE 22 7.258 1.806 0.722
173 HE1 PHE 22 HE2 PHE 22 10.702 1.946 4.289
174 HE2 PHE 22 HE1 PHE 22 8.560 3.879 1.106
175 HZ PHE 22 HZ PHE 22 10.283 3.950 2.889
176 H GLY 23 H GLY 23 7.020 -3.483 2.554
177 HA2 GLY 23 HA2 GLY 23 8.660 -4.037 4.820
178 HA3 GLY 23 HA3 GLY 23 7.458 -5.143 4.154
179 H PHE 24 H PHE 24 8.531 -5.558 1.587
180 HA PHE 24 HA PHE 24 10.455 -7.618 2.019
181 HB2 PHE 24 HB2 PHE 24 8.999 -6.390 -0.124
182 HB3 PHE 24 HB3 PHE 24 10.685 -6.522 -0.623
183 HD1 PHE 24 HD1 PHE 24 7.877 -8.492 0.871
184 HD2 PHE 24 HD2 PHE 24 11.574 -8.591 -1.316
185 HE1 PHE 24 HE1 PHE 24 7.571 -10.918 0.463
186 HE2 PHE 24 HE2 PHE 24 11.267 -11.017 -1.723
187 HZ PHE 24 HZ PHE 24 9.266 -12.181 -0.834
188 H PHE 25 H PHE 25 10.890 -4.239 0.905
189 HA PHE 25 HA PHE 25 13.732 -4.330 0.555
190 HB2 PHE 25 HB2 PHE 25 12.282 -2.575 -0.346
191 HB3 PHE 25 HB3 PHE 25 11.819 -2.085 1.284
192 HD1 PHE 25 HD1 PHE 25 14.821 -2.498 -0.921
193 HD2 PHE 25 HD2 PHE 25 13.064 -0.453 2.423
194 HE1 PHE 25 HE2 PHE 25 16.788 -0.991 -0.809
195 HE2 PHE 25 HE1 PHE 25 15.030 1.052 2.536
196 HZ PHE 25 HZ PHE 25 16.892 0.785 0.920
197 H ALA 26 H ALA 26 11.704 -3.639 3.406
198 HA ALA 26 HA ALA 26 13.726 -2.702 5.183
199 HB1 ALA 26 HB1 ALA 26 12.087 -3.163 6.868
200 HB2 ALA 26 HB2 ALA 26 11.366 -4.455 5.907
201 HB3 ALA 26 HB3 ALA 26 11.171 -2.773 5.412
202 H HIS 27 H HIS 27 12.877 -5.972 4.142
203 HA HIS 27 HA HIS 27 14.702 -7.214 6.127
204 HB2 HIS 27 HB2 HIS 27 12.518 -8.221 5.708
205 HB3 HIS 27 HB3 HIS 27 12.839 -8.277 3.975
206 HD1 HIS 27 HD1 HIS 27 14.966 -9.396 6.951
207 HD2 HIS 27 HD2 HIS 27 13.373 -10.924 3.414
208 HE1 HIS 27 HE1 HIS 27 15.817 -11.772 6.750
209 H LEU 28 H LEU 28 14.410 -6.753 2.594
210 HA LEU 28 HA LEU 28 16.878 -8.219 2.009
211 HB2 LEU 28 HB2 LEU 28 14.714 -6.770 0.577
212 HB3 LEU 28 HB3 LEU 28 16.273 -6.805 -0.242
213 HG LEU 28 HG LEU 28 14.863 -8.731 -0.897
214 HD11 LEU 28 HD11 LEU 28 17.472 -8.788 -0.481
215 HD12 LEU 28 HD12 LEU 28 16.597 -10.274 -0.848
216 HD13 LEU 28 HD13 LEU 28 17.029 -9.895 0.819
217 HD21 LEU 28 HD21 LEU 28 15.176 -9.822 1.893
218 HD22 LEU 28 HD22 LEU 28 14.032 -10.298 0.639
219 HD23 LEU 28 HD23 LEU 28 13.810 -8.777 1.504
220 H LEU 29 H LEU 29 15.926 -4.781 1.589
221 HA LEU 29 HA LEU 29 17.179 -2.798 1.744
222 HB2 LEU 29 HB2 LEU 29 18.172 -4.642 3.693
223 HB3 LEU 29 HB3 LEU 29 19.555 -3.788 3.009
224 HG LEU 29 HG LEU 29 17.879 -1.699 3.319
225 HD11 LEU 29 HD11 LEU 29 16.016 -2.550 4.368
226 HD12 LEU 29 HD12 LEU 29 17.005 -2.246 5.796
227 HD13 LEU 29 HD13 LEU 29 16.910 -3.871 5.119
228 HD21 LEU 29 HD21 LEU 29 19.195 -1.100 5.201
229 HD22 LEU 29 HD22 LEU 29 20.231 -2.184 4.274
230 HD23 LEU 29 HD23 LEU 29 19.389 -2.779 5.704
231 HA PRO 30 HA PRO 30 20.072 -2.916 -1.564
232 HB2 PRO 30 HB2 PRO 30 21.653 -0.745 -1.056
233 HB3 PRO 30 HB3 PRO 30 19.970 -0.607 -1.595
234 HG2 PRO 30 HG2 PRO 30 21.124 -0.239 1.105
235 HG3 PRO 30 HG3 PRO 30 19.750 0.569 0.343
236 HD2 PRO 30 HD2 PRO 30 19.576 -1.468 2.213
237 HD3 PRO 30 HD3 PRO 30 18.279 -0.977 1.105
238 H ARG 31 H ARG 31 22.529 -2.935 -2.065
239 HA ARG 31 HA ARG 31 23.976 -4.354 0.147
240 HB2 ARG 31 HB2 ARG 31 23.935 -4.575 -2.866
241 HB3 ARG 31 HB3 ARG 31 25.260 -5.259 -1.924
242 HG2 ARG 31 HG2 ARG 31 23.908 -6.855 -0.918
243 HG3 ARG 31 HG3 ARG 31 22.450 -5.878 -1.089
244 HD2 ARG 31 HD2 ARG 31 21.981 -7.274 -2.840
245 HD3 ARG 31 HD3 ARG 31 23.172 -6.302 -3.726
246 HE ARG 31 HE ARG 31 24.889 -7.965 -3.114
247 HH11 ARG 31 HH11 ARG 31 23.722 -9.187 -0.701
248 HH12 ARG 31 HH12 ARG 31 23.083 -10.686 -1.289
249 HH21 ARG 31 HH21 ARG 31 23.153 -9.708 -4.624
250 HH22 ARG 31 HH22 ARG 31 22.759 -10.983 -3.519
Start of MODEL 17
1 HA ASP 1 HA ASP 1 -11.230 -4.828 17.366
2 HB2 ASP 1 HB2 ASP 1 -13.308 -5.901 19.286
3 HB3 ASP 1 HB3 ASP 1 -13.749 -5.303 17.687
4 H THR 2 H THR 2 -11.636 -2.722 16.791
5 HA THR 2 HA THR 2 -13.213 -0.974 18.627
6 HB THR 2 HB THR 2 -11.341 0.773 18.148
7 HG1 THR 2 HG1 THR 2 -9.609 0.059 17.210
8 HG21 THR 2 HG21 THR 2 -10.422 -1.530 19.855
9 HG22 THR 2 HG22 THR 2 -11.837 -0.584 20.311
10 HG23 THR 2 HG23 THR 2 -10.266 0.200 20.155
11 H GLU 3 H GLU 3 -14.834 -1.192 16.879
12 HA GLU 3 HA GLU 3 -14.110 0.072 14.278
13 HB2 GLU 3 HB2 GLU 3 -15.493 -2.175 14.877
14 HB3 GLU 3 HB3 GLU 3 -16.826 -1.021 14.840
15 HG2 GLU 3 HG2 GLU 3 -16.180 -0.302 12.589
16 HG3 GLU 3 HG3 GLU 3 -14.787 -1.383 12.623
17 H ILE 4 H ILE 4 -13.995 2.122 15.871
18 HA ILE 4 HA ILE 4 -16.665 3.317 16.383
19 HB ILE 4 HB ILE 4 -13.798 4.178 16.913
20 HG12 ILE 4 HG12 ILE 4 -15.839 3.581 19.025
21 HG13 ILE 4 HG13 ILE 4 -15.093 2.225 18.180
22 HG21 ILE 4 HG21 ILE 4 -16.409 5.483 17.750
23 HG22 ILE 4 HG22 ILE 4 -15.228 6.156 16.625
24 HG23 ILE 4 HG23 ILE 4 -14.810 5.953 18.326
25 HD11 ILE 4 HD11 ILE 4 -12.852 3.117 18.751
26 HD12 ILE 4 HD12 ILE 4 -13.805 2.781 20.197
27 HD13 ILE 4 HD13 ILE 4 -13.616 4.441 19.632
28 H ILE 5 H ILE 5 -13.740 3.940 14.422
29 HA ILE 5 HA ILE 5 -15.348 5.851 12.752
30 HB ILE 5 HB ILE 5 -12.346 5.759 13.216
31 HG12 ILE 5 HG12 ILE 5 -13.590 6.261 15.319
32 HG13 ILE 5 HG13 ILE 5 -12.665 7.648 14.750
33 HG21 ILE 5 HG21 ILE 5 -12.641 8.199 12.410
34 HG22 ILE 5 HG22 ILE 5 -14.222 7.674 11.828
35 HG23 ILE 5 HG23 ILE 5 -12.755 6.922 11.199
36 HD11 ILE 5 HD11 ILE 5 -15.611 7.223 14.166
37 HD12 ILE 5 HD12 ILE 5 -14.657 8.661 13.799
38 HD13 ILE 5 HD13 ILE 5 -14.997 8.233 15.476
39 H GLY 6 H GLY 6 -15.787 3.395 11.912
40 HA2 GLY 6 HA2 GLY 6 -15.668 2.208 9.856
41 HA3 GLY 6 HA3 GLY 6 -14.248 3.160 9.419
42 H GLY 7 H GLY 7 -12.185 2.577 10.482
43 HA2 GLY 7 HA2 GLY 7 -10.769 1.042 11.687
44 HA3 GLY 7 HA3 GLY 7 -12.099 -0.117 11.725
45 H LEU 8 H LEU 8 -12.833 -0.321 9.099
46 HA LEU 8 HA LEU 8 -10.329 -1.268 7.738
47 HB2 LEU 8 HB2 LEU 8 -13.057 -2.450 8.178
48 HB3 LEU 8 HB3 LEU 8 -12.160 -2.906 6.730
49 HG LEU 8 HG LEU 8 -10.232 -3.100 8.692
50 HD11 LEU 8 HD11 LEU 8 -11.942 -2.756 10.447
51 HD12 LEU 8 HD12 LEU 8 -11.264 -4.382 10.526
52 HD13 LEU 8 HD13 LEU 8 -12.859 -4.125 9.817
53 HD21 LEU 8 HD21 LEU 8 -10.600 -5.558 8.454
54 HD22 LEU 8 HD22 LEU 8 -10.625 -4.721 6.901
55 HD23 LEU 8 HD23 LEU 8 -12.137 -5.224 7.656
56 H THR 9 H THR 9 -10.805 1.239 7.091
57 HA THR 9 HA THR 9 -12.649 1.338 4.739
58 HB THR 9 HB THR 9 -12.294 3.798 5.004
59 HG1 THR 9 HG1 THR 9 -11.034 3.376 7.447
60 HG21 THR 9 HG21 THR 9 -13.029 2.396 7.590
61 HG22 THR 9 HG22 THR 9 -14.114 2.610 6.218
62 HG23 THR 9 HG23 THR 9 -13.525 4.017 7.102
63 H ILE 10 H ILE 10 -9.908 0.028 4.735
64 HA ILE 10 HA ILE 10 -8.628 1.743 2.629
65 HB ILE 10 HB ILE 10 -6.490 0.797 3.414
66 HG12 ILE 10 HG12 ILE 10 -7.167 -0.389 5.880
67 HG13 ILE 10 HG13 ILE 10 -8.270 -1.101 4.704
68 HG21 ILE 10 HG21 ILE 10 -6.302 2.160 5.270
69 HG22 ILE 10 HG22 ILE 10 -7.834 1.619 5.956
70 HG23 ILE 10 HG23 ILE 10 -7.824 2.760 4.612
71 HD11 ILE 10 HD11 ILE 10 -6.325 -2.479 4.661
72 HD12 ILE 10 HD12 ILE 10 -5.248 -1.082 4.640
73 HD13 ILE 10 HD13 ILE 10 -6.218 -1.470 3.218
74 HA PRO 11 HA PRO 11 -9.114 -1.690 -0.083
75 HB2 PRO 11 HB2 PRO 11 -6.976 -1.335 -1.755
76 HB3 PRO 11 HB3 PRO 11 -8.417 -0.299 -1.791
77 HG2 PRO 11 HG2 PRO 11 -5.750 0.209 -0.581
78 HG3 PRO 11 HG3 PRO 11 -6.845 1.323 -1.412
79 HD2 PRO 11 HD2 PRO 11 -6.565 1.191 1.309
80 HD3 PRO 11 HD3 PRO 11 -8.026 1.776 0.485
81 HA PRO 12 HA PRO 12 -6.412 -4.637 1.962
82 HB2 PRO 12 HB2 PRO 12 -7.651 -6.884 1.002
83 HB3 PRO 12 HB3 PRO 12 -8.286 -5.927 2.356
84 HG2 PRO 12 HG2 PRO 12 -9.110 -5.937 -0.505
85 HG3 PRO 12 HG3 PRO 12 -10.103 -5.817 0.956
86 HD2 PRO 12 HD2 PRO 12 -9.463 -3.672 -0.593
87 HD3 PRO 12 HD3 PRO 12 -9.778 -3.557 1.152
88 H VAL 13 H VAL 13 -7.375 -5.082 -1.471
89 HA VAL 13 HA VAL 13 -5.184 -6.741 -2.250
90 HB VAL 13 HB VAL 13 -5.782 -5.958 -4.539
91 HG11 VAL 13 HG11 VAL 13 -7.972 -6.876 -4.554
92 HG12 VAL 13 HG12 VAL 13 -8.306 -6.312 -2.918
93 HG13 VAL 13 HG13 VAL 13 -7.169 -7.634 -3.179
94 HG21 VAL 13 HG21 VAL 13 -7.468 -3.959 -2.998
95 HG22 VAL 13 HG22 VAL 13 -7.691 -4.310 -4.711
96 HG23 VAL 13 HG23 VAL 13 -6.178 -3.605 -4.148
97 H VAL 14 H VAL 14 -5.460 -3.209 -1.973
98 HA VAL 14 HA VAL 14 -2.837 -2.706 -3.190
99 HB VAL 14 HB VAL 14 -4.717 -0.969 -1.546
100 HG11 VAL 14 HG11 VAL 14 -2.410 -0.249 -3.384
101 HG12 VAL 14 HG12 VAL 14 -2.440 -0.053 -1.631
102 HG13 VAL 14 HG13 VAL 14 -3.516 0.909 -2.643
103 HG21 VAL 14 HG21 VAL 14 -5.926 -1.612 -3.479
104 HG22 VAL 14 HG22 VAL 14 -4.487 -1.574 -4.496
105 HG23 VAL 14 HG23 VAL 14 -5.206 -0.066 -3.929
106 H ALA 15 H ALA 15 -4.208 -2.654 0.122
107 HA ALA 15 HA ALA 15 -1.833 -1.912 1.522
108 HB1 ALA 15 HB1 ALA 15 -3.045 -2.854 3.453
109 HB2 ALA 15 HB2 ALA 15 -4.138 -3.703 2.361
110 HB3 ALA 15 HB3 ALA 15 -4.147 -1.940 2.424
111 H LEU 16 H LEU 16 -3.082 -5.128 0.577
112 HA LEU 16 HA LEU 16 -1.111 -6.725 1.905
113 HB2 LEU 16 HB2 LEU 16 -3.298 -7.445 0.881
114 HB3 LEU 16 HB3 LEU 16 -2.564 -7.247 -0.710
115 HG LEU 16 HG LEU 16 -0.752 -8.807 0.812
116 HD11 LEU 16 HD11 LEU 16 -2.844 -9.164 2.263
117 HD12 LEU 16 HD12 LEU 16 -2.041 -10.615 1.664
118 HD13 LEU 16 HD13 LEU 16 -3.513 -10.036 0.884
119 HD21 LEU 16 HD21 LEU 16 -1.461 -10.569 -0.861
120 HD22 LEU 16 HD22 LEU 16 -1.018 -9.021 -1.580
121 HD23 LEU 16 HD23 LEU 16 -2.718 -9.457 -1.404
122 H VAL 17 H VAL 17 -1.187 -5.362 -1.411
123 HA VAL 17 HA VAL 17 1.297 -6.491 -2.307
124 HB VAL 17 HB VAL 17 -0.304 -4.023 -3.059
125 HG11 VAL 17 HG11 VAL 17 1.028 -4.143 -5.214
126 HG12 VAL 17 HG12 VAL 17 2.131 -5.244 -4.387
127 HG13 VAL 17 HG13 VAL 17 1.941 -3.587 -3.812
128 HG21 VAL 17 HG21 VAL 17 -1.224 -5.373 -4.775
129 HG22 VAL 17 HG22 VAL 17 -1.188 -6.439 -3.372
130 HG23 VAL 17 HG23 VAL 17 0.048 -6.585 -4.621
131 H VAL 18 H VAL 18 0.522 -3.463 -0.591
132 HA VAL 18 HA VAL 18 3.126 -2.259 -0.739
133 HB VAL 18 HB VAL 18 0.822 -2.054 1.228
134 HG11 VAL 18 HG11 VAL 18 2.675 -1.207 2.445
135 HG12 VAL 18 HG12 VAL 18 1.941 0.222 1.717
136 HG13 VAL 18 HG13 VAL 18 3.393 -0.482 1.006
137 HG21 VAL 18 HG21 VAL 18 -0.071 -0.530 -0.208
138 HG22 VAL 18 HG22 VAL 18 0.974 -1.291 -1.408
139 HG23 VAL 18 HG23 VAL 18 1.501 0.176 -0.584
140 H MET 19 H MET 19 1.622 -4.380 1.730
141 HA MET 19 HA MET 19 3.800 -4.397 3.585
142 HB2 MET 19 HB2 MET 19 1.361 -5.957 2.973
143 HB3 MET 19 HB3 MET 19 2.606 -6.855 3.840
144 HG2 MET 19 HG2 MET 19 2.692 -5.141 5.576
145 HG3 MET 19 HG3 MET 19 1.537 -4.146 4.688
146 HE1 MET 19 HE1 MET 19 -0.721 -4.722 4.097
147 HE2 MET 19 HE2 MET 19 -0.832 -4.036 5.716
148 HE3 MET 19 HE3 MET 19 -1.808 -5.440 5.292
149 H SER 20 H SER 20 3.106 -6.449 0.745
150 HA SER 20 HA SER 20 5.259 -8.319 1.097
151 HB2 SER 20 HB2 SER 20 3.121 -7.985 -0.587
152 HB3 SER 20 HB3 SER 20 4.460 -7.581 -1.657
153 HG SER 20 HG SER 20 3.759 -9.987 -0.480
154 H ARG 21 H ARG 21 5.161 -5.038 -0.178
155 HA ARG 21 HA ARG 21 8.015 -5.278 -1.064
156 HB2 ARG 21 HB2 ARG 21 5.587 -3.943 -2.032
157 HB3 ARG 21 HB3 ARG 21 6.972 -2.853 -1.953
158 HG2 ARG 21 HG2 ARG 21 7.633 -3.740 -3.921
159 HG3 ARG 21 HG3 ARG 21 8.034 -5.201 -3.020
160 HD2 ARG 21 HD2 ARG 21 6.546 -6.165 -4.493
161 HD3 ARG 21 HD3 ARG 21 5.344 -5.550 -3.342
162 HE ARG 21 HE ARG 21 4.829 -3.789 -4.864
163 HH11 ARG 21 HH11 ARG 21 5.744 -6.041 -6.837
164 HH12 ARG 21 HH12 ARG 21 6.699 -5.102 -7.935
165 HH21 ARG 21 HH21 ARG 21 6.887 -2.346 -5.824
166 HH22 ARG 21 HH22 ARG 21 7.350 -3.002 -7.358
167 H PHE 22 H PHE 22 6.735 -4.696 1.754
168 HA PHE 22 HA PHE 22 8.011 -2.035 2.256
169 HB2 PHE 22 HB2 PHE 22 5.606 -2.415 2.838
170 HB3 PHE 22 HB3 PHE 22 6.102 -3.702 3.935
171 HD1 PHE 22 HD1 PHE 22 6.360 -0.053 3.265
172 HD2 PHE 22 HD2 PHE 22 6.997 -3.217 6.100
173 HE1 PHE 22 HE2 PHE 22 6.773 1.624 5.044
174 HE2 PHE 22 HE1 PHE 22 7.410 -1.539 7.879
175 HZ PHE 22 HZ PHE 22 7.299 0.882 7.351
176 H GLY 23 H GLY 23 7.624 -5.191 3.946
177 HA2 GLY 23 HA2 GLY 23 9.929 -4.769 5.637
178 HA3 GLY 23 HA3 GLY 23 9.080 -6.300 5.426
179 H PHE 24 H PHE 24 9.393 -6.599 2.624
180 HA PHE 24 HA PHE 24 11.978 -7.811 2.434
181 HB2 PHE 24 HB2 PHE 24 9.602 -7.763 1.015
182 HB3 PHE 24 HB3 PHE 24 10.714 -6.954 -0.085
183 HD1 PHE 24 HD1 PHE 24 12.907 -8.091 -0.676
184 HD2 PHE 24 HD2 PHE 24 9.711 -10.114 1.360
185 HE1 PHE 24 HE1 PHE 24 13.901 -10.277 -1.288
186 HE2 PHE 24 HE2 PHE 24 10.707 -12.301 0.747
187 HZ PHE 24 HZ PHE 24 12.802 -12.383 -0.577
188 H PHE 25 H PHE 25 10.742 -4.731 1.079
189 HA PHE 25 HA PHE 25 13.175 -3.901 -0.186
190 HB2 PHE 25 HB2 PHE 25 10.775 -3.027 -0.426
191 HB3 PHE 25 HB3 PHE 25 11.060 -2.123 1.061
192 HD1 PHE 25 HD1 PHE 25 12.329 -2.649 -2.408
193 HD2 PHE 25 HD2 PHE 25 12.291 -0.093 1.044
194 HE1 PHE 25 HE2 PHE 25 13.487 -0.880 -3.706
195 HE2 PHE 25 HE1 PHE 25 13.448 1.676 -0.253
196 HZ PHE 25 HZ PHE 25 14.046 1.283 -2.628
197 H ALA 26 H ALA 26 11.923 -3.389 3.121
198 HA ALA 26 HA ALA 26 13.908 -1.555 4.046
199 HB1 ALA 26 HB1 ALA 26 13.095 -2.211 6.230
200 HB2 ALA 26 HB2 ALA 26 12.517 -3.755 5.606
201 HB3 ALA 26 HB3 ALA 26 11.721 -2.256 5.124
202 H HIS 27 H HIS 27 13.949 -5.085 3.715
203 HA HIS 27 HA HIS 27 16.734 -5.141 4.827
204 HB2 HIS 27 HB2 HIS 27 14.569 -7.248 4.502
205 HB3 HIS 27 HB3 HIS 27 16.197 -7.600 5.082
206 HD1 HIS 27 HD1 HIS 27 13.093 -7.298 6.515
207 HD2 HIS 27 HD2 HIS 27 16.657 -5.275 7.280
208 HE1 HIS 27 HE1 HIS 27 12.897 -6.364 8.861
209 H LEU 28 H LEU 28 16.708 -4.155 2.301
210 HA LEU 28 HA LEU 28 17.430 -6.498 0.564
211 HB2 LEU 28 HB2 LEU 28 15.372 -4.689 0.241
212 HB3 LEU 28 HB3 LEU 28 16.647 -3.968 -0.739
213 HG LEU 28 HG LEU 28 15.247 -5.524 -2.063
214 HD11 LEU 28 HD11 LEU 28 17.791 -5.211 -2.389
215 HD12 LEU 28 HD12 LEU 28 17.040 -6.609 -3.157
216 HD13 LEU 28 HD13 LEU 28 17.949 -6.808 -1.658
217 HD21 LEU 28 HD21 LEU 28 16.346 -7.950 -0.815
218 HD22 LEU 28 HD22 LEU 28 14.702 -7.609 -1.352
219 HD23 LEU 28 HD23 LEU 28 15.240 -7.063 0.235
220 H LEU 29 H LEU 29 17.920 -2.929 0.479
221 HA LEU 29 HA LEU 29 20.848 -3.275 0.620
222 HB2 LEU 29 HB2 LEU 29 19.732 -3.639 -1.791
223 HB3 LEU 29 HB3 LEU 29 19.823 -1.880 -1.819
224 HG LEU 29 HG LEU 29 21.847 -2.861 -2.809
225 HD11 LEU 29 HD11 LEU 29 21.817 -0.800 -1.129
226 HD12 LEU 29 HD12 LEU 29 23.334 -1.429 -1.768
227 HD13 LEU 29 HD13 LEU 29 22.804 -1.883 -0.149
228 HD21 LEU 29 HD21 LEU 29 22.492 -4.036 -0.101
229 HD22 LEU 29 HD22 LEU 29 23.266 -4.365 -1.651
230 HD23 LEU 29 HD23 LEU 29 21.641 -4.970 -1.331
231 HA PRO 30 HA PRO 30 19.792 0.701 2.456
232 HB2 PRO 30 HB2 PRO 30 22.198 1.039 3.721
233 HB3 PRO 30 HB3 PRO 30 20.907 0.004 4.362
234 HG2 PRO 30 HG2 PRO 30 23.375 -0.749 2.879
235 HG3 PRO 30 HG3 PRO 30 22.581 -1.561 4.237
236 HD2 PRO 30 HD2 PRO 30 22.358 -2.385 1.642
237 HD3 PRO 30 HD3 PRO 30 21.118 -2.679 2.880
238 H ARG 31 H ARG 31 19.818 1.700 0.300
239 HA ARG 31 HA ARG 31 20.625 3.183 -1.334
240 HB2 ARG 31 HB2 ARG 31 22.334 3.730 1.100
241 HB3 ARG 31 HB3 ARG 31 22.506 4.683 -0.373
242 HG2 ARG 31 HG2 ARG 31 19.912 4.945 -0.219
243 HG3 ARG 31 HG3 ARG 31 20.131 4.468 1.465
244 HD2 ARG 31 HD2 ARG 31 21.285 6.410 2.009
245 HD3 ARG 31 HD3 ARG 31 21.909 6.622 0.361
246 HE ARG 31 HE ARG 31 19.096 7.213 1.196
247 HH11 ARG 31 HH11 ARG 31 19.203 6.525 -1.664
248 HH12 ARG 31 HH12 ARG 31 19.549 8.043 -2.423
249 HH21 ARG 31 HH21 ARG 31 20.642 9.557 0.509
250 HH22 ARG 31 HH22 ARG 31 20.368 9.766 -1.188
Start of MODEL 18
1 HA ASP 1 HA ASP 1 -19.777 -13.878 9.878
2 HB2 ASP 1 HB2 ASP 1 -22.070 -14.908 9.560
3 HB3 ASP 1 HB3 ASP 1 -20.797 -16.075 9.901
4 H THR 2 H THR 2 -19.705 -12.145 12.187
5 HA THR 2 HA THR 2 -22.406 -10.852 12.159
6 HB THR 2 HB THR 2 -20.025 -10.420 13.997
7 HG1 THR 2 HG1 THR 2 -20.883 -11.937 15.282
8 HG21 THR 2 HG21 THR 2 -21.599 -8.573 14.041
9 HG22 THR 2 HG22 THR 2 -21.808 -9.521 15.513
10 HG23 THR 2 HG23 THR 2 -22.960 -9.686 14.187
11 H GLU 3 H GLU 3 -22.262 -9.604 10.239
12 HA GLU 3 HA GLU 3 -20.604 -7.183 10.406
13 HB2 GLU 3 HB2 GLU 3 -19.668 -9.519 9.083
14 HB3 GLU 3 HB3 GLU 3 -20.110 -8.370 7.821
15 HG2 GLU 3 HG2 GLU 3 -18.460 -6.897 8.393
16 HG3 GLU 3 HG3 GLU 3 -18.620 -7.231 10.117
17 H ILE 4 H ILE 4 -22.246 -5.742 9.980
18 HA ILE 4 HA ILE 4 -23.914 -6.211 7.532
19 HB ILE 4 HB ILE 4 -25.765 -5.118 8.843
20 HG12 ILE 4 HG12 ILE 4 -24.074 -5.605 11.297
21 HG13 ILE 4 HG13 ILE 4 -24.032 -4.050 10.464
22 HG21 ILE 4 HG21 ILE 4 -26.377 -7.095 9.997
23 HG22 ILE 4 HG22 ILE 4 -24.698 -7.514 10.340
24 HG23 ILE 4 HG23 ILE 4 -25.323 -7.651 8.696
25 HD11 ILE 4 HD11 ILE 4 -25.713 -3.778 12.108
26 HD12 ILE 4 HD12 ILE 4 -26.377 -5.385 11.815
27 HD13 ILE 4 HD13 ILE 4 -26.608 -4.104 10.624
28 H ILE 5 H ILE 5 -24.864 -4.107 6.717
29 HA ILE 5 HA ILE 5 -24.554 -1.926 5.879
30 HB ILE 5 HB ILE 5 -23.268 -1.540 8.604
31 HG12 ILE 5 HG12 ILE 5 -26.157 -0.977 7.973
32 HG13 ILE 5 HG13 ILE 5 -25.666 -2.612 8.413
33 HG21 ILE 5 HG21 ILE 5 -22.905 0.385 7.203
34 HG22 ILE 5 HG22 ILE 5 -24.227 0.784 8.300
35 HG23 ILE 5 HG23 ILE 5 -24.572 0.347 6.626
36 HD11 ILE 5 HD11 ILE 5 -26.290 -1.538 10.458
37 HD12 ILE 5 HD12 ILE 5 -25.370 -0.088 10.054
38 HD13 ILE 5 HD13 ILE 5 -24.527 -1.585 10.451
39 H GLY 6 H GLY 6 -22.967 -2.775 4.316
40 HA2 GLY 6 HA2 GLY 6 -20.108 -2.591 4.995
41 HA3 GLY 6 HA3 GLY 6 -20.773 -3.064 3.432
42 H GLY 7 H GLY 7 -20.211 -0.244 5.530
43 HA2 GLY 7 HA2 GLY 7 -20.847 1.695 3.463
44 HA3 GLY 7 HA3 GLY 7 -20.043 2.044 4.993
45 H LEU 8 H LEU 8 -17.716 0.799 4.989
46 HA LEU 8 HA LEU 8 -16.381 1.556 2.407
47 HB2 LEU 8 HB2 LEU 8 -16.175 2.859 4.770
48 HB3 LEU 8 HB3 LEU 8 -14.907 1.653 4.997
49 HG LEU 8 HG LEU 8 -14.098 2.339 2.639
50 HD11 LEU 8 HD11 LEU 8 -16.153 3.611 2.059
51 HD12 LEU 8 HD12 LEU 8 -14.709 4.617 1.958
52 HD13 LEU 8 HD13 LEU 8 -15.787 4.760 3.345
53 HD21 LEU 8 HD21 LEU 8 -13.934 4.165 5.051
54 HD22 LEU 8 HD22 LEU 8 -12.937 4.383 3.613
55 HD23 LEU 8 HD23 LEU 8 -12.789 2.911 4.572
56 H THR 9 H THR 9 -17.190 -1.020 2.510
57 HA THR 9 HA THR 9 -15.136 -2.739 3.754
58 HB THR 9 HB THR 9 -16.599 -4.506 2.579
59 HG1 THR 9 HG1 THR 9 -17.542 -3.265 1.009
60 HG21 THR 9 HG21 THR 9 -16.816 -3.711 4.977
61 HG22 THR 9 HG22 THR 9 -18.296 -4.358 4.267
62 HG23 THR 9 HG23 THR 9 -18.080 -2.615 4.417
63 H ILE 10 H ILE 10 -13.437 -1.559 2.341
64 HA ILE 10 HA ILE 10 -13.389 -2.251 -0.515
65 HB ILE 10 HB ILE 10 -11.210 -1.071 -0.431
66 HG12 ILE 10 HG12 ILE 10 -11.207 -0.066 2.224
67 HG13 ILE 10 HG13 ILE 10 -11.367 -1.817 2.354
68 HG21 ILE 10 HG21 ILE 10 -13.552 0.094 -0.333
69 HG22 ILE 10 HG22 ILE 10 -12.099 1.056 -0.062
70 HG23 ILE 10 HG23 ILE 10 -13.072 0.522 1.309
71 HD11 ILE 10 HD11 ILE 10 -9.315 -0.530 0.548
72 HD12 ILE 10 HD12 ILE 10 -9.369 -2.198 1.117
73 HD13 ILE 10 HD13 ILE 10 -8.975 -0.896 2.239
74 HA PRO 11 HA PRO 11 -11.288 -6.096 -0.068
75 HB2 PRO 11 HB2 PRO 11 -9.997 -6.208 -2.481
76 HB3 PRO 11 HB3 PRO 11 -11.743 -6.470 -2.305
77 HG2 PRO 11 HG2 PRO 11 -10.274 -4.047 -3.212
78 HG3 PRO 11 HG3 PRO 11 -11.799 -4.728 -3.797
79 HD2 PRO 11 HD2 PRO 11 -11.648 -2.576 -2.127
80 HD3 PRO 11 HD3 PRO 11 -13.036 -3.685 -2.182
81 HA PRO 12 HA PRO 12 -7.299 -4.642 1.326
82 HB2 PRO 12 HB2 PRO 12 -6.510 -6.963 2.536
83 HB3 PRO 12 HB3 PRO 12 -7.688 -5.847 3.251
84 HG2 PRO 12 HG2 PRO 12 -8.130 -8.434 1.879
85 HG3 PRO 12 HG3 PRO 12 -9.017 -7.699 3.221
86 HD2 PRO 12 HD2 PRO 12 -9.850 -7.730 0.578
87 HD3 PRO 12 HD3 PRO 12 -10.445 -6.617 1.827
88 H VAL 13 H VAL 13 -6.975 -4.823 -1.212
89 HA VAL 13 HA VAL 13 -5.080 -7.057 -1.858
90 HB VAL 13 HB VAL 13 -6.648 -5.145 -3.630
91 HG11 VAL 13 HG11 VAL 13 -4.986 -7.596 -4.295
92 HG12 VAL 13 HG12 VAL 13 -4.590 -5.929 -4.711
93 HG13 VAL 13 HG13 VAL 13 -5.988 -6.711 -5.445
94 HG21 VAL 13 HG21 VAL 13 -7.090 -8.057 -2.891
95 HG22 VAL 13 HG22 VAL 13 -7.976 -7.207 -4.157
96 HG23 VAL 13 HG23 VAL 13 -8.135 -6.698 -2.478
97 H VAL 14 H VAL 14 -5.543 -3.544 -2.473
98 HA VAL 14 HA VAL 14 -2.900 -3.019 -3.410
99 HB VAL 14 HB VAL 14 -4.935 -1.568 -3.626
100 HG11 VAL 14 HG11 VAL 14 -5.672 -1.848 -1.234
101 HG12 VAL 14 HG12 VAL 14 -5.642 -0.171 -1.780
102 HG13 VAL 14 HG13 VAL 14 -4.346 -0.788 -0.756
103 HG21 VAL 14 HG21 VAL 14 -3.742 0.532 -3.446
104 HG22 VAL 14 HG22 VAL 14 -2.591 -0.707 -3.942
105 HG23 VAL 14 HG23 VAL 14 -2.623 -0.153 -2.268
106 H ALA 15 H ALA 15 -4.232 -3.040 -0.097
107 HA ALA 15 HA ALA 15 -1.867 -1.978 1.193
108 HB1 ALA 15 HB1 ALA 15 -3.958 -3.838 2.356
109 HB2 ALA 15 HB2 ALA 15 -4.280 -2.132 2.042
110 HB3 ALA 15 HB3 ALA 15 -3.033 -2.596 3.199
111 H LEU 16 H LEU 16 -2.999 -5.271 0.432
112 HA LEU 16 HA LEU 16 -1.010 -6.740 1.872
113 HB2 LEU 16 HB2 LEU 16 -3.176 -7.530 0.786
114 HB3 LEU 16 HB3 LEU 16 -2.325 -7.480 -0.757
115 HG LEU 16 HG LEU 16 -0.561 -8.983 0.317
116 HD11 LEU 16 HD11 LEU 16 -2.779 -9.299 2.366
117 HD12 LEU 16 HD12 LEU 16 -1.203 -8.563 2.661
118 HD13 LEU 16 HD13 LEU 16 -1.315 -10.281 2.282
119 HD21 LEU 16 HD21 LEU 16 -1.938 -11.020 -0.003
120 HD22 LEU 16 HD22 LEU 16 -2.240 -9.834 -1.273
121 HD23 LEU 16 HD23 LEU 16 -3.398 -10.032 0.043
122 H VAL 17 H VAL 17 -0.947 -5.166 -1.303
123 HA VAL 17 HA VAL 17 1.589 -6.392 -2.114
124 HB VAL 17 HB VAL 17 -0.067 -4.060 -3.147
125 HG11 VAL 17 HG11 VAL 17 1.269 -4.278 -5.211
126 HG12 VAL 17 HG12 VAL 17 2.256 -5.522 -4.445
127 HG13 VAL 17 HG13 VAL 17 2.299 -3.866 -3.841
128 HG21 VAL 17 HG21 VAL 17 -1.140 -6.314 -3.240
129 HG22 VAL 17 HG22 VAL 17 0.241 -6.908 -4.161
130 HG23 VAL 17 HG23 VAL 17 -0.807 -5.665 -4.846
131 H VAL 18 H VAL 18 0.545 -3.328 -0.634
132 HA VAL 18 HA VAL 18 3.137 -2.026 -0.822
133 HB VAL 18 HB VAL 18 0.670 -1.542 0.881
134 HG11 VAL 18 HG11 VAL 18 3.225 0.013 0.508
135 HG12 VAL 18 HG12 VAL 18 2.360 -0.350 2.001
136 HG13 VAL 18 HG13 VAL 18 1.715 0.848 0.879
137 HG21 VAL 18 HG21 VAL 18 1.484 0.194 -1.410
138 HG22 VAL 18 HG22 VAL 18 -0.130 -0.233 -0.843
139 HG23 VAL 18 HG23 VAL 18 0.802 -1.385 -1.798
140 H MET 19 H MET 19 1.464 -3.871 1.759
141 HA MET 19 HA MET 19 3.352 -3.365 3.846
142 HB2 MET 19 HB2 MET 19 2.294 -5.290 4.916
143 HB3 MET 19 HB3 MET 19 1.065 -4.343 4.082
144 HG2 MET 19 HG2 MET 19 0.941 -5.906 2.283
145 HG3 MET 19 HG3 MET 19 2.412 -6.727 2.798
146 HE1 MET 19 HE1 MET 19 -0.724 -5.649 5.328
147 HE2 MET 19 HE2 MET 19 -1.773 -6.809 4.518
148 HE3 MET 19 HE3 MET 19 -0.963 -5.558 3.579
149 H SER 20 H SER 20 3.427 -5.675 1.165
150 HA SER 20 HA SER 20 5.775 -7.098 2.250
151 HB2 SER 20 HB2 SER 20 3.816 -7.349 0.061
152 HB3 SER 20 HB3 SER 20 5.445 -7.841 -0.391
153 HG SER 20 HG SER 20 5.402 -9.401 1.101
154 H ARG 21 H ARG 21 5.066 -4.486 -0.003
155 HA ARG 21 HA ARG 21 7.474 -4.416 -1.518
156 HB2 ARG 21 HB2 ARG 21 5.257 -2.597 -0.742
157 HB3 ARG 21 HB3 ARG 21 6.729 -1.806 -1.307
158 HG2 ARG 21 HG2 ARG 21 6.665 -2.975 -3.398
159 HG3 ARG 21 HG3 ARG 21 5.409 -4.071 -2.820
160 HD2 ARG 21 HD2 ARG 21 4.515 -2.254 -4.321
161 HD3 ARG 21 HD3 ARG 21 3.801 -2.214 -2.698
162 HE ARG 21 HE ARG 21 5.020 -0.217 -2.245
163 HH11 ARG 21 HH11 ARG 21 4.636 0.332 -5.191
164 HH12 ARG 21 HH12 ARG 21 6.247 0.730 -5.689
165 HH21 ARG 21 HH21 ARG 21 7.734 -0.618 -2.850
166 HH22 ARG 21 HH22 ARG 21 8.007 0.188 -4.357
167 H PHE 22 H PHE 22 6.675 -2.383 1.353
168 HA PHE 22 HA PHE 22 9.372 -1.411 1.654
169 HB2 PHE 22 HB2 PHE 22 8.425 -0.138 3.326
170 HB3 PHE 22 HB3 PHE 22 6.942 -0.651 2.530
171 HD1 PHE 22 HD1 PHE 22 9.126 -1.111 5.461
172 HD2 PHE 22 HD2 PHE 22 5.493 -2.353 3.535
173 HE1 PHE 22 HE1 PHE 22 8.386 -2.202 7.561
174 HE2 PHE 22 HE2 PHE 22 4.754 -3.444 5.635
175 HZ PHE 22 HZ PHE 22 6.200 -3.369 7.648
176 H GLY 23 H GLY 23 7.668 -4.222 2.985
177 HA2 GLY 23 HA2 GLY 23 9.581 -4.868 5.031
178 HA3 GLY 23 HA3 GLY 23 8.442 -6.004 4.305
179 H PHE 24 H PHE 24 9.278 -5.818 1.609
180 HA PHE 24 HA PHE 24 11.473 -7.663 1.542
181 HB2 PHE 24 HB2 PHE 24 9.689 -6.225 -0.295
182 HB3 PHE 24 HB3 PHE 24 11.293 -6.484 -0.975
183 HD1 PHE 24 HD1 PHE 24 12.294 -8.920 -0.550
184 HD2 PHE 24 HD2 PHE 24 8.114 -7.934 -0.505
185 HE1 PHE 24 HE2 PHE 24 11.731 -11.294 -0.981
186 HE2 PHE 24 HE1 PHE 24 7.551 -10.309 -0.934
187 HZ PHE 24 HZ PHE 24 9.357 -11.989 -1.172
188 H PHE 25 H PHE 25 11.351 -4.224 0.487
189 HA PHE 25 HA PHE 25 14.119 -3.897 -0.053
190 HB2 PHE 25 HB2 PHE 25 11.723 -2.266 0.398
191 HB3 PHE 25 HB3 PHE 25 13.199 -1.449 0.911
192 HD1 PHE 25 HD1 PHE 25 11.516 -3.109 -1.954
193 HD2 PHE 25 HD2 PHE 25 14.835 -0.702 -0.672
194 HE1 PHE 25 HE1 PHE 25 12.080 -2.626 -4.321
195 HE2 PHE 25 HE2 PHE 25 15.399 -0.221 -3.038
196 HZ PHE 25 HZ PHE 25 14.023 -1.183 -4.863
197 H ALA 26 H ALA 26 12.350 -3.673 3.026
198 HA ALA 26 HA ALA 26 14.578 -2.601 4.556
199 HB1 ALA 26 HB1 ALA 26 12.036 -4.072 5.325
200 HB2 ALA 26 HB2 ALA 26 12.230 -2.324 5.199
201 HB3 ALA 26 HB3 ALA 26 13.081 -3.217 6.459
202 H HIS 27 H HIS 27 13.435 -5.879 3.784
203 HA HIS 27 HA HIS 27 15.642 -7.000 5.480
204 HB2 HIS 27 HB2 HIS 27 13.006 -8.108 4.467
205 HB3 HIS 27 HB3 HIS 27 14.203 -9.084 5.318
206 HD1 HIS 27 HD1 HIS 27 14.621 -8.543 7.844
207 HD2 HIS 27 HD2 HIS 27 11.581 -6.281 6.106
208 HE1 HIS 27 HE1 HIS 27 13.372 -7.435 9.749
209 H LEU 28 H LEU 28 16.413 -5.992 2.955
210 HA LEU 28 HA LEU 28 16.766 -8.488 1.319
211 HB2 LEU 28 HB2 LEU 28 15.800 -5.886 0.698
212 HB3 LEU 28 HB3 LEU 28 17.372 -6.035 -0.082
213 HG LEU 28 HG LEU 28 15.618 -6.834 -1.592
214 HD11 LEU 28 HD11 LEU 28 16.548 -8.993 -2.130
215 HD12 LEU 28 HD12 LEU 28 17.117 -9.219 -0.476
216 HD13 LEU 28 HD13 LEU 28 17.860 -7.994 -1.504
217 HD21 LEU 28 HD21 LEU 28 14.737 -8.218 0.868
218 HD22 LEU 28 HD22 LEU 28 14.655 -9.195 -0.598
219 HD23 LEU 28 HD23 LEU 28 13.791 -7.660 -0.512
220 H LEU 29 H LEU 29 18.423 -5.377 2.046
221 HA LEU 29 HA LEU 29 21.050 -6.748 1.674
222 HB2 LEU 29 HB2 LEU 29 20.369 -4.626 0.443
223 HB3 LEU 29 HB3 LEU 29 20.423 -3.799 1.999
224 HG LEU 29 HG LEU 29 22.834 -5.249 1.839
225 HD11 LEU 29 HD11 LEU 29 22.312 -3.711 -0.724
226 HD12 LEU 29 HD12 LEU 29 22.358 -5.470 -0.607
227 HD13 LEU 29 HD13 LEU 29 23.810 -4.526 -0.274
228 HD21 LEU 29 HD21 LEU 29 23.833 -2.997 1.772
229 HD22 LEU 29 HD22 LEU 29 22.463 -3.029 2.883
230 HD23 LEU 29 HD23 LEU 29 22.283 -2.314 1.282
231 HA PRO 30 HA PRO 30 21.079 -6.683 6.183
232 HB2 PRO 30 HB2 PRO 30 23.266 -8.307 6.450
233 HB3 PRO 30 HB3 PRO 30 21.635 -8.927 6.123
234 HG2 PRO 30 HG2 PRO 30 23.921 -8.534 4.264
235 HG3 PRO 30 HG3 PRO 30 22.705 -9.820 4.305
236 HD2 PRO 30 HD2 PRO 30 22.654 -7.714 2.551
237 HD3 PRO 30 HD3 PRO 30 21.215 -8.625 3.059
238 H ARG 31 H ARG 31 21.746 -4.510 6.525
239 HA ARG 31 HA ARG 31 24.708 -4.084 6.643
240 HB2 ARG 31 HB2 ARG 31 22.685 -2.801 4.962
241 HB3 ARG 31 HB3 ARG 31 23.586 -1.628 5.923
242 HG2 ARG 31 HG2 ARG 31 25.010 -3.812 4.405
243 HG3 ARG 31 HG3 ARG 31 24.562 -2.298 3.618
244 HD2 ARG 31 HD2 ARG 31 25.744 -1.121 5.594
245 HD3 ARG 31 HD3 ARG 31 26.464 -2.708 5.934
246 HE ARG 31 HE ARG 31 26.723 -1.333 3.280
247 HH11 ARG 31 HH11 ARG 31 29.048 -0.997 5.035
248 HH12 ARG 31 HH12 ARG 31 30.051 -2.352 4.639
249 HH21 ARG 31 HH21 ARG 31 27.488 -4.126 3.098
250 HH22 ARG 31 HH22 ARG 31 29.163 -4.133 3.539
Start of MODEL 19
1 HA ASP 1 HA ASP 1 -10.988 6.860 17.558
2 HB2 ASP 1 HB2 ASP 1 -12.552 9.322 16.983
3 HB3 ASP 1 HB3 ASP 1 -13.497 7.906 17.446
4 H THR 2 H THR 2 -13.158 5.558 17.176
5 HA THR 2 HA THR 2 -13.240 4.804 14.274
6 HB THR 2 HB THR 2 -14.192 2.646 15.350
7 HG1 THR 2 HG1 THR 2 -14.615 3.621 17.384
8 HG21 THR 2 HG21 THR 2 -11.787 3.135 14.525
9 HG22 THR 2 HG22 THR 2 -12.020 1.771 15.619
10 HG23 THR 2 HG23 THR 2 -11.386 3.296 16.235
11 H GLU 3 H GLU 3 -15.153 5.125 13.187
12 HA GLU 3 HA GLU 3 -17.606 5.736 14.804
13 HB2 GLU 3 HB2 GLU 3 -16.599 6.739 12.125
14 HB3 GLU 3 HB3 GLU 3 -18.214 7.088 12.741
15 HG2 GLU 3 HG2 GLU 3 -17.410 8.750 14.027
16 HG3 GLU 3 HG3 GLU 3 -16.266 7.646 14.794
17 H ILE 4 H ILE 4 -17.779 5.329 11.350
18 HA ILE 4 HA ILE 4 -19.191 2.716 11.758
19 HB ILE 4 HB ILE 4 -20.473 4.807 11.044
20 HG12 ILE 4 HG12 ILE 4 -21.577 3.527 9.066
21 HG13 ILE 4 HG13 ILE 4 -20.417 2.253 9.439
22 HG21 ILE 4 HG21 ILE 4 -20.202 5.691 8.871
23 HG22 ILE 4 HG22 ILE 4 -19.246 4.311 8.332
24 HG23 ILE 4 HG23 ILE 4 -18.548 5.486 9.446
25 HD11 ILE 4 HD11 ILE 4 -21.227 2.289 11.813
26 HD12 ILE 4 HD12 ILE 4 -22.471 1.808 10.660
27 HD13 ILE 4 HD13 ILE 4 -22.471 3.440 11.327
28 H ILE 5 H ILE 5 -16.699 4.393 9.920
29 HA ILE 5 HA ILE 5 -15.135 3.627 8.338
30 HB ILE 5 HB ILE 5 -15.859 0.975 9.638
31 HG12 ILE 5 HG12 ILE 5 -13.519 1.939 10.793
32 HG13 ILE 5 HG13 ILE 5 -14.521 3.382 10.652
33 HG21 ILE 5 HG21 ILE 5 -13.072 1.375 8.973
34 HG22 ILE 5 HG22 ILE 5 -14.076 1.594 7.539
35 HG23 ILE 5 HG23 ILE 5 -14.161 0.089 8.454
36 HD11 ILE 5 HD11 ILE 5 -15.932 2.683 12.274
37 HD12 ILE 5 HD12 ILE 5 -14.700 1.485 12.669
38 HD13 ILE 5 HD13 ILE 5 -16.031 1.058 11.594
39 H GLY 6 H GLY 6 -17.567 4.067 7.154
40 HA2 GLY 6 HA2 GLY 6 -17.999 1.674 5.406
41 HA3 GLY 6 HA3 GLY 6 -19.246 2.875 5.748
42 H GLY 7 H GLY 7 -16.376 2.188 3.871
43 HA2 GLY 7 HA2 GLY 7 -15.629 3.177 1.869
44 HA3 GLY 7 HA3 GLY 7 -17.104 4.145 1.864
45 H LEU 8 H LEU 8 -14.358 3.923 4.157
46 HA LEU 8 HA LEU 8 -13.565 6.709 3.569
47 HB2 LEU 8 HB2 LEU 8 -15.604 6.441 5.261
48 HB3 LEU 8 HB3 LEU 8 -14.313 6.080 6.406
49 HG LEU 8 HG LEU 8 -13.478 8.345 4.902
50 HD11 LEU 8 HD11 LEU 8 -16.258 8.672 6.071
51 HD12 LEU 8 HD12 LEU 8 -15.901 8.607 4.346
52 HD13 LEU 8 HD13 LEU 8 -15.278 9.935 5.326
53 HD21 LEU 8 HD21 LEU 8 -13.392 9.385 7.077
54 HD22 LEU 8 HD22 LEU 8 -12.983 7.684 7.300
55 HD23 LEU 8 HD23 LEU 8 -14.594 8.267 7.720
56 H THR 9 H THR 9 -12.232 4.086 3.452
57 HA THR 9 HA THR 9 -9.957 4.680 5.283
58 HB THR 9 HB THR 9 -10.943 1.848 4.956
59 HG1 THR 9 HG1 THR 9 -12.127 2.268 6.952
60 HG21 THR 9 HG21 THR 9 -8.736 2.723 6.109
61 HG22 THR 9 HG22 THR 9 -9.673 1.432 6.861
62 HG23 THR 9 HG23 THR 9 -9.826 3.089 7.448
63 H ILE 10 H ILE 10 -9.153 1.764 4.237
64 HA ILE 10 HA ILE 10 -8.420 2.558 1.452
65 HB ILE 10 HB ILE 10 -6.101 1.617 2.042
66 HG12 ILE 10 HG12 ILE 10 -7.017 2.174 4.878
67 HG13 ILE 10 HG13 ILE 10 -6.960 0.549 4.195
68 HG21 ILE 10 HG21 ILE 10 -6.891 4.091 3.595
69 HG22 ILE 10 HG22 ILE 10 -6.750 4.071 1.837
70 HG23 ILE 10 HG23 ILE 10 -5.337 3.740 2.839
71 HD11 ILE 10 HD11 ILE 10 -4.891 1.118 5.465
72 HD12 ILE 10 HD12 ILE 10 -4.596 2.445 4.340
73 HD13 ILE 10 HD13 ILE 10 -4.565 0.777 3.766
74 HA PRO 11 HA PRO 11 -9.465 -1.625 0.572
75 HB2 PRO 11 HB2 PRO 11 -7.955 -2.061 -1.668
76 HB3 PRO 11 HB3 PRO 11 -9.413 -1.049 -1.663
77 HG2 PRO 11 HG2 PRO 11 -6.554 -0.247 -1.617
78 HG3 PRO 11 HG3 PRO 11 -7.927 0.512 -2.434
79 HD2 PRO 11 HD2 PRO 11 -6.831 1.429 -0.096
80 HD3 PRO 11 HD3 PRO 11 -8.509 1.728 -0.595
81 HA PRO 12 HA PRO 12 -6.225 -3.933 2.550
82 HB2 PRO 12 HB2 PRO 12 -7.334 -6.424 2.304
83 HB3 PRO 12 HB3 PRO 12 -7.894 -5.223 3.485
84 HG2 PRO 12 HG2 PRO 12 -9.062 -5.979 0.855
85 HG3 PRO 12 HG3 PRO 12 -9.872 -5.571 2.375
86 HD2 PRO 12 HD2 PRO 12 -9.631 -3.839 0.280
87 HD3 PRO 12 HD3 PRO 12 -9.778 -3.323 1.975
88 H VAL 13 H VAL 13 -7.498 -5.025 -0.614
89 HA VAL 13 HA VAL 13 -5.379 -6.821 -1.286
90 HB VAL 13 HB VAL 13 -7.613 -6.575 -2.407
91 HG11 VAL 13 HG11 VAL 13 -8.037 -4.802 -3.953
92 HG12 VAL 13 HG12 VAL 13 -6.377 -4.217 -3.846
93 HG13 VAL 13 HG13 VAL 13 -7.470 -4.029 -2.474
94 HG21 VAL 13 HG21 VAL 13 -6.778 -6.979 -4.685
95 HG22 VAL 13 HG22 VAL 13 -5.748 -7.784 -3.501
96 HG23 VAL 13 HG23 VAL 13 -5.220 -6.277 -4.249
97 H VAL 14 H VAL 14 -5.654 -3.285 -1.688
98 HA VAL 14 HA VAL 14 -3.183 -3.045 -3.214
99 HB VAL 14 HB VAL 14 -5.403 -1.493 -2.712
100 HG11 VAL 14 HG11 VAL 14 -3.079 -0.244 -1.209
101 HG12 VAL 14 HG12 VAL 14 -4.570 -0.842 -0.479
102 HG13 VAL 14 HG13 VAL 14 -4.616 0.544 -1.566
103 HG21 VAL 14 HG21 VAL 14 -4.197 0.263 -3.977
104 HG22 VAL 14 HG22 VAL 14 -3.923 -1.337 -4.665
105 HG23 VAL 14 HG23 VAL 14 -2.676 -0.578 -3.676
106 H ALA 15 H ALA 15 -4.082 -2.848 0.217
107 HA ALA 15 HA ALA 15 -1.537 -1.855 1.176
108 HB1 ALA 15 HB1 ALA 15 -3.566 -3.557 2.648
109 HB2 ALA 15 HB2 ALA 15 -3.838 -1.850 2.298
110 HB3 ALA 15 HB3 ALA 15 -2.490 -2.335 3.326
111 H LEU 16 H LEU 16 -2.907 -5.115 0.702
112 HA LEU 16 HA LEU 16 -0.816 -6.617 1.963
113 HB2 LEU 16 HB2 LEU 16 -3.183 -7.267 1.092
114 HB3 LEU 16 HB3 LEU 16 -2.387 -7.498 -0.465
115 HG LEU 16 HG LEU 16 -0.710 -8.986 0.792
116 HD11 LEU 16 HD11 LEU 16 -2.886 -8.664 2.872
117 HD12 LEU 16 HD12 LEU 16 -1.155 -8.385 3.067
118 HD13 LEU 16 HD13 LEU 16 -1.767 -10.028 2.870
119 HD21 LEU 16 HD21 LEU 16 -2.463 -9.884 -0.693
120 HD22 LEU 16 HD22 LEU 16 -3.622 -9.834 0.636
121 HD23 LEU 16 HD23 LEU 16 -2.243 -10.930 0.710
122 H VAL 17 H VAL 17 -1.229 -5.491 -1.409
123 HA VAL 17 HA VAL 17 1.125 -6.730 -2.496
124 HB VAL 17 HB VAL 17 -0.525 -4.284 -3.209
125 HG11 VAL 17 HG11 VAL 17 1.564 -3.808 -4.225
126 HG12 VAL 17 HG12 VAL 17 0.632 -4.599 -5.497
127 HG13 VAL 17 HG13 VAL 17 1.858 -5.505 -4.609
128 HG21 VAL 17 HG21 VAL 17 -0.293 -7.012 -4.518
129 HG22 VAL 17 HG22 VAL 17 -1.444 -5.742 -4.929
130 HG23 VAL 17 HG23 VAL 17 -1.561 -6.568 -3.376
131 H VAL 18 H VAL 18 0.562 -3.574 -0.931
132 HA VAL 18 HA VAL 18 3.252 -2.562 -1.335
133 HB VAL 18 HB VAL 18 1.037 -1.882 0.635
134 HG11 VAL 18 HG11 VAL 18 3.229 -1.069 1.426
135 HG12 VAL 18 HG12 VAL 18 2.215 0.275 0.900
136 HG13 VAL 18 HG13 VAL 18 3.515 -0.308 -0.139
137 HG21 VAL 18 HG21 VAL 18 1.634 0.012 -1.510
138 HG22 VAL 18 HG22 VAL 18 0.088 -0.689 -1.038
139 HG23 VAL 18 HG23 VAL 18 1.154 -1.565 -2.137
140 H MET 19 H MET 19 1.663 -4.497 1.184
141 HA MET 19 HA MET 19 3.606 -4.295 3.256
142 HB2 MET 19 HB2 MET 19 1.223 -5.421 3.051
143 HB3 MET 19 HB3 MET 19 2.155 -6.856 2.625
144 HG2 MET 19 HG2 MET 19 3.057 -5.322 5.017
145 HG3 MET 19 HG3 MET 19 1.563 -6.246 5.173
146 HE1 MET 19 HE1 MET 19 1.361 -8.402 5.726
147 HE2 MET 19 HE2 MET 19 2.411 -9.767 5.350
148 HE3 MET 19 HE3 MET 19 1.555 -8.938 4.052
149 H SER 20 H SER 20 3.344 -6.757 0.637
150 HA SER 20 HA SER 20 5.738 -8.193 1.275
151 HB2 SER 20 HB2 SER 20 3.810 -8.786 -0.304
152 HB3 SER 20 HB3 SER 20 4.564 -7.717 -1.482
153 HG SER 20 HG SER 20 5.123 -10.217 -1.089
154 H ARG 21 H ARG 21 5.157 -5.393 -0.856
155 HA ARG 21 HA ARG 21 7.835 -5.131 -1.879
156 HB2 ARG 21 HB2 ARG 21 5.685 -4.121 -2.749
157 HB3 ARG 21 HB3 ARG 21 5.721 -3.002 -1.388
158 HG2 ARG 21 HG2 ARG 21 8.264 -2.733 -2.406
159 HG3 ARG 21 HG3 ARG 21 7.312 -2.991 -3.868
160 HD2 ARG 21 HD2 ARG 21 6.475 -0.991 -1.748
161 HD3 ARG 21 HD3 ARG 21 7.526 -0.549 -3.109
162 HE ARG 21 HE ARG 21 4.902 -1.891 -3.630
163 HH11 ARG 21 HH11 ARG 21 6.613 -1.050 -5.914
164 HH12 ARG 21 HH12 ARG 21 5.951 0.494 -6.334
165 HH21 ARG 21 HH21 ARG 21 4.257 0.876 -3.322
166 HH22 ARG 21 HH22 ARG 21 4.611 1.589 -4.859
167 H PHE 22 H PHE 22 6.154 -3.658 0.912
168 HA PHE 22 HA PHE 22 8.314 -1.979 1.796
169 HB2 PHE 22 HB2 PHE 22 5.749 -3.088 2.850
170 HB3 PHE 22 HB3 PHE 22 6.887 -2.459 4.039
171 HD1 PHE 22 HD1 PHE 22 6.546 -1.199 0.553
172 HD2 PHE 22 HD2 PHE 22 5.672 -0.499 4.703
173 HE1 PHE 22 HE1 PHE 22 5.837 1.115 0.016
174 HE2 PHE 22 HE2 PHE 22 4.966 1.815 4.162
175 HZ PHE 22 HZ PHE 22 5.048 2.622 1.818
176 H GLY 23 H GLY 23 7.391 -5.337 2.600
177 HA2 GLY 23 HA2 GLY 23 9.257 -5.768 4.708
178 HA3 GLY 23 HA3 GLY 23 8.598 -7.038 3.676
179 H PHE 24 H PHE 24 9.591 -6.191 1.179
180 HA PHE 24 HA PHE 24 12.242 -7.268 1.162
181 HB2 PHE 24 HB2 PHE 24 10.271 -6.150 -0.672
182 HB3 PHE 24 HB3 PHE 24 11.903 -5.654 -1.124
183 HD1 PHE 24 HD1 PHE 24 9.645 -8.528 -0.612
184 HD2 PHE 24 HD2 PHE 24 13.578 -7.282 -1.809
185 HE1 PHE 24 HE1 PHE 24 10.074 -10.783 -1.551
186 HE2 PHE 24 HE2 PHE 24 14.008 -9.537 -2.746
187 HZ PHE 24 HZ PHE 24 12.257 -11.288 -2.617
188 H PHE 25 H PHE 25 11.053 -3.902 1.130
189 HA PHE 25 HA PHE 25 13.666 -2.671 0.893
190 HB2 PHE 25 HB2 PHE 25 10.843 -1.920 1.338
191 HB3 PHE 25 HB3 PHE 25 12.008 -0.811 2.062
192 HD1 PHE 25 HD1 PHE 25 11.000 -2.455 -1.119
193 HD2 PHE 25 HD2 PHE 25 13.354 0.632 0.720
194 HE1 PHE 25 HE2 PHE 25 11.470 -1.483 -3.351
195 HE2 PHE 25 HE1 PHE 25 13.822 1.604 -1.512
196 HZ PHE 25 HZ PHE 25 12.881 0.546 -3.548
197 H ALA 26 H ALA 26 11.785 -3.904 3.607
198 HA ALA 26 HA ALA 26 13.056 -2.462 5.739
199 HB1 ALA 26 HB1 ALA 26 12.022 -5.309 5.819
200 HB2 ALA 26 HB2 ALA 26 10.940 -3.919 5.717
201 HB3 ALA 26 HB3 ALA 26 11.998 -4.114 7.115
202 H HIS 27 H HIS 27 13.790 -5.652 4.278
203 HA HIS 27 HA HIS 27 16.224 -5.975 5.901
204 HB2 HIS 27 HB2 HIS 27 14.469 -7.694 4.834
205 HB3 HIS 27 HB3 HIS 27 15.601 -7.628 3.484
206 HD1 HIS 27 HD1 HIS 27 18.288 -7.762 4.521
207 HD2 HIS 27 HD2 HIS 27 15.210 -9.700 6.557
208 HE1 HIS 27 HE1 HIS 27 19.387 -9.519 5.976
209 H LEU 28 H LEU 28 15.393 -5.094 2.555
210 HA LEU 28 HA LEU 28 18.297 -4.618 1.981
211 HB2 LEU 28 HB2 LEU 28 15.894 -5.494 0.441
212 HB3 LEU 28 HB3 LEU 28 17.075 -4.512 -0.424
213 HG LEU 28 HG LEU 28 18.822 -6.165 0.621
214 HD11 LEU 28 HD11 LEU 28 17.154 -7.286 2.091
215 HD12 LEU 28 HD12 LEU 28 17.932 -8.418 0.986
216 HD13 LEU 28 HD13 LEU 28 16.296 -7.847 0.656
217 HD21 LEU 28 HD21 LEU 28 16.914 -6.861 -1.629
218 HD22 LEU 28 HD22 LEU 28 18.411 -7.740 -1.320
219 HD23 LEU 28 HD23 LEU 28 18.466 -6.033 -1.763
220 H LEU 29 H LEU 29 17.267 -2.659 3.529
221 HA LEU 29 HA LEU 29 15.915 -0.538 2.065
222 HB2 LEU 29 HB2 LEU 29 16.395 -1.219 4.696
223 HB3 LEU 29 HB3 LEU 29 17.475 0.156 4.470
224 HG LEU 29 HG LEU 29 14.753 0.481 3.343
225 HD11 LEU 29 HD11 LEU 29 15.173 0.653 6.337
226 HD12 LEU 29 HD12 LEU 29 14.434 -0.744 5.553
227 HD13 LEU 29 HD13 LEU 29 13.661 0.837 5.446
228 HD21 LEU 29 HD21 LEU 29 16.346 2.266 5.200
229 HD22 LEU 29 HD22 LEU 29 15.069 2.737 4.080
230 HD23 LEU 29 HD23 LEU 29 16.634 2.210 3.462
231 HA PRO 30 HA PRO 30 19.576 1.103 0.157
232 HB2 PRO 30 HB2 PRO 30 18.502 3.462 -0.720
233 HB3 PRO 30 HB3 PRO 30 18.173 1.903 -1.500
234 HG2 PRO 30 HG2 PRO 30 16.484 3.477 0.366
235 HG3 PRO 30 HG3 PRO 30 16.014 2.489 -1.025
236 HD2 PRO 30 HD2 PRO 30 15.792 1.690 1.595
237 HD3 PRO 30 HD3 PRO 30 15.908 0.581 0.213
238 H ARG 31 H ARG 31 20.619 3.516 0.164
239 HA ARG 31 HA ARG 31 21.141 4.148 2.982
240 HB2 ARG 31 HB2 ARG 31 22.672 4.098 0.803
241 HB3 ARG 31 HB3 ARG 31 22.142 5.775 0.672
242 HG2 ARG 31 HG2 ARG 31 24.106 5.920 1.970
243 HG3 ARG 31 HG3 ARG 31 22.813 5.967 3.169
244 HD2 ARG 31 HD2 ARG 31 23.092 3.371 3.248
245 HD3 ARG 31 HD3 ARG 31 24.669 3.685 2.496
246 HE ARG 31 HE ARG 31 24.106 5.414 4.793
247 HH11 ARG 31 HH11 ARG 31 26.867 4.685 4.115
248 HH12 ARG 31 HH12 ARG 31 27.252 3.456 5.273
249 HH21 ARG 31 HH21 ARG 31 23.934 2.840 6.106
250 HH22 ARG 31 HH22 ARG 31 25.584 2.407 6.407
Start of MODEL 20
1 HA ASP 1 HA ASP 1 -5.756 3.118 -7.311
2 HB2 ASP 1 HB2 ASP 1 -4.820 3.836 -9.482
3 HB3 ASP 1 HB3 ASP 1 -3.713 2.733 -8.667
4 H THR 2 H THR 2 -7.375 4.430 -8.427
5 HA THR 2 HA THR 2 -9.484 4.802 -9.418
6 HB THR 2 HB THR 2 -8.960 2.292 -11.023
7 HG1 THR 2 HG1 THR 2 -7.107 3.143 -11.512
8 HG21 THR 2 HG21 THR 2 -10.861 3.177 -11.927
9 HG22 THR 2 HG22 THR 2 -9.717 4.228 -12.763
10 HG23 THR 2 HG23 THR 2 -10.529 4.793 -11.302
11 H GLU 3 H GLU 3 -11.638 3.374 -9.994
12 HA GLU 3 HA GLU 3 -13.395 2.128 -9.037
13 HB2 GLU 3 HB2 GLU 3 -10.904 0.468 -8.887
14 HB3 GLU 3 HB3 GLU 3 -12.347 -0.135 -8.071
15 HG2 GLU 3 HG2 GLU 3 -13.631 0.064 -10.161
16 HG3 GLU 3 HG3 GLU 3 -12.205 0.697 -10.985
17 H ILE 4 H ILE 4 -13.251 4.048 -7.368
18 HA ILE 4 HA ILE 4 -12.390 3.110 -4.669
19 HB ILE 4 HB ILE 4 -12.761 5.527 -4.093
20 HG12 ILE 4 HG12 ILE 4 -13.017 6.133 -7.019
21 HG13 ILE 4 HG13 ILE 4 -14.470 5.677 -6.130
22 HG21 ILE 4 HG21 ILE 4 -11.031 5.108 -6.546
23 HG22 ILE 4 HG22 ILE 4 -10.566 4.652 -4.907
24 HG23 ILE 4 HG23 ILE 4 -10.823 6.350 -5.310
25 HD11 ILE 4 HD11 ILE 4 -14.097 7.473 -4.521
26 HD12 ILE 4 HD12 ILE 4 -14.094 8.146 -6.152
27 HD13 ILE 4 HD13 ILE 4 -12.571 7.891 -5.299
28 H ILE 5 H ILE 5 -14.459 1.600 -5.168
29 HA ILE 5 HA ILE 5 -17.022 2.919 -4.504
30 HB ILE 5 HB ILE 5 -16.229 0.031 -5.034
31 HG12 ILE 5 HG12 ILE 5 -17.890 1.115 -7.068
32 HG13 ILE 5 HG13 ILE 5 -16.627 2.308 -6.763
33 HG21 ILE 5 HG21 ILE 5 -18.740 -0.171 -5.486
34 HG22 ILE 5 HG22 ILE 5 -18.913 1.382 -4.667
35 HG23 ILE 5 HG23 ILE 5 -18.271 -0.010 -3.793
36 HD11 ILE 5 HD11 ILE 5 -16.114 0.456 -8.489
37 HD12 ILE 5 HD12 ILE 5 -15.974 -0.620 -7.099
38 HD13 ILE 5 HD13 ILE 5 -14.897 0.768 -7.251
39 H GLY 6 H GLY 6 -17.900 2.904 -2.462
40 HA2 GLY 6 HA2 GLY 6 -16.301 1.759 -0.262
41 HA3 GLY 6 HA3 GLY 6 -17.696 2.823 -0.081
42 H GLY 7 H GLY 7 -16.988 -0.451 -1.373
43 HA2 GLY 7 HA2 GLY 7 -19.660 -1.340 -0.404
44 HA3 GLY 7 HA3 GLY 7 -18.637 -2.223 -1.539
45 H LEU 8 H LEU 8 -16.220 -2.331 -0.247
46 HA LEU 8 HA LEU 8 -16.766 -3.508 2.448
47 HB2 LEU 8 HB2 LEU 8 -16.778 -5.117 0.388
48 HB3 LEU 8 HB3 LEU 8 -15.031 -4.876 0.393
49 HG LEU 8 HG LEU 8 -15.486 -5.372 3.039
50 HD11 LEU 8 HD11 LEU 8 -17.036 -7.276 3.182
51 HD12 LEU 8 HD12 LEU 8 -17.417 -7.109 1.468
52 HD13 LEU 8 HD13 LEU 8 -17.881 -5.841 2.603
53 HD21 LEU 8 HD21 LEU 8 -13.787 -6.426 1.573
54 HD22 LEU 8 HD22 LEU 8 -15.040 -7.444 0.864
55 HD23 LEU 8 HD23 LEU 8 -14.614 -7.627 2.566
56 H THR 9 H THR 9 -15.600 -1.033 2.185
57 HA THR 9 HA THR 9 -13.669 0.226 2.684
58 HB THR 9 HB THR 9 -12.726 -2.399 3.880
59 HG1 THR 9 HG1 THR 9 -14.594 -0.523 4.908
60 HG21 THR 9 HG21 THR 9 -11.113 -0.607 4.070
61 HG22 THR 9 HG22 THR 9 -11.869 -0.824 5.649
62 HG23 THR 9 HG23 THR 9 -12.359 0.518 4.614
63 H ILE 10 H ILE 10 -13.619 -0.661 0.077
64 HA ILE 10 HA ILE 10 -12.226 -1.043 -1.760
65 HB ILE 10 HB ILE 10 -10.212 0.097 -1.661
66 HG12 ILE 10 HG12 ILE 10 -9.451 -0.041 1.140
67 HG13 ILE 10 HG13 ILE 10 -9.608 -1.657 0.457
68 HG21 ILE 10 HG21 ILE 10 -10.582 2.018 -0.426
69 HG22 ILE 10 HG22 ILE 10 -11.157 1.131 0.985
70 HG23 ILE 10 HG23 ILE 10 -12.197 1.309 -0.428
71 HD11 ILE 10 HD11 ILE 10 -8.133 -1.018 -1.412
72 HD12 ILE 10 HD12 ILE 10 -7.324 -0.782 0.137
73 HD13 ILE 10 HD13 ILE 10 -7.979 0.604 -0.737
74 HA PRO 11 HA PRO 11 -10.555 -5.088 -1.619
75 HB2 PRO 11 HB2 PRO 11 -8.593 -5.033 -3.522
76 HB3 PRO 11 HB3 PRO 11 -10.321 -4.976 -3.918
77 HG2 PRO 11 HG2 PRO 11 -8.320 -2.791 -3.870
78 HG3 PRO 11 HG3 PRO 11 -9.714 -3.025 -4.933
79 HD2 PRO 11 HD2 PRO 11 -9.631 -1.289 -2.784
80 HD3 PRO 11 HD3 PRO 11 -11.115 -1.923 -3.527
81 HA PRO 12 HA PRO 12 -7.075 -4.711 1.154
82 HB2 PRO 12 HB2 PRO 12 -6.858 -7.362 1.792
83 HB3 PRO 12 HB3 PRO 12 -8.114 -6.302 2.463
84 HG2 PRO 12 HG2 PRO 12 -8.301 -8.304 0.275
85 HG3 PRO 12 HG3 PRO 12 -9.479 -7.884 1.527
86 HD2 PRO 12 HD2 PRO 12 -9.620 -7.017 -1.070
87 HD3 PRO 12 HD3 PRO 12 -10.351 -6.166 0.309
88 H VAL 13 H VAL 13 -7.122 -6.465 -1.828
89 HA VAL 13 HA VAL 13 -4.595 -7.752 -1.841
90 HB VAL 13 HB VAL 13 -6.431 -7.979 -3.516
91 HG11 VAL 13 HG11 VAL 13 -5.412 -5.422 -4.761
92 HG12 VAL 13 HG12 VAL 13 -6.770 -5.423 -3.637
93 HG13 VAL 13 HG13 VAL 13 -6.877 -6.323 -5.149
94 HG21 VAL 13 HG21 VAL 13 -4.143 -8.740 -4.054
95 HG22 VAL 13 HG22 VAL 13 -3.757 -7.138 -4.683
96 HG23 VAL 13 HG23 VAL 13 -4.964 -8.137 -5.493
97 H VAL 14 H VAL 14 -5.389 -4.344 -2.654
98 HA VAL 14 HA VAL 14 -2.697 -3.647 -3.460
99 HB VAL 14 HB VAL 14 -3.561 -1.321 -3.236
100 HG11 VAL 14 HG11 VAL 14 -4.086 -2.703 -5.239
101 HG12 VAL 14 HG12 VAL 14 -5.344 -1.517 -4.888
102 HG13 VAL 14 HG13 VAL 14 -5.587 -3.212 -4.465
103 HG21 VAL 14 HG21 VAL 14 -6.170 -1.367 -2.666
104 HG22 VAL 14 HG22 VAL 14 -4.959 -1.171 -1.400
105 HG23 VAL 14 HG23 VAL 14 -5.686 -2.750 -1.688
106 H ALA 15 H ALA 15 -4.436 -3.513 -0.351
107 HA ALA 15 HA ALA 15 -2.418 -2.089 1.130
108 HB1 ALA 15 HB1 ALA 15 -4.370 -4.183 2.135
109 HB2 ALA 15 HB2 ALA 15 -4.858 -2.540 1.715
110 HB3 ALA 15 HB3 ALA 15 -3.717 -2.812 3.031
111 H LEU 16 H LEU 16 -2.981 -5.548 0.488
112 HA LEU 16 HA LEU 16 -0.941 -6.601 2.219
113 HB2 LEU 16 HB2 LEU 16 -2.891 -7.785 1.105
114 HB3 LEU 16 HB3 LEU 16 -1.981 -7.720 -0.404
115 HG LEU 16 HG LEU 16 -0.445 -8.763 1.889
116 HD11 LEU 16 HD11 LEU 16 -2.673 -9.711 2.395
117 HD12 LEU 16 HD12 LEU 16 -1.553 -10.963 1.862
118 HD13 LEU 16 HD13 LEU 16 -2.773 -10.343 0.752
119 HD21 LEU 16 HD21 LEU 16 0.208 -8.723 -0.577
120 HD22 LEU 16 HD22 LEU 16 -1.008 -9.975 -0.831
121 HD23 LEU 16 HD23 LEU 16 0.371 -10.286 0.223
122 H VAL 17 H VAL 17 -0.865 -5.332 -1.094
123 HA VAL 17 HA VAL 17 1.852 -6.265 -1.649
124 HB VAL 17 HB VAL 17 -0.083 -4.334 -2.965
125 HG11 VAL 17 HG11 VAL 17 2.035 -3.544 -3.683
126 HG12 VAL 17 HG12 VAL 17 1.531 -4.653 -4.958
127 HG13 VAL 17 HG13 VAL 17 2.711 -5.172 -3.754
128 HG21 VAL 17 HG21 VAL 17 -0.597 -6.806 -2.951
129 HG22 VAL 17 HG22 VAL 17 0.909 -7.069 -3.831
130 HG23 VAL 17 HG23 VAL 17 -0.390 -6.129 -4.566
131 H VAL 18 H VAL 18 0.373 -3.270 -0.428
132 HA VAL 18 HA VAL 18 2.748 -1.625 -0.696
133 HB VAL 18 HB VAL 18 0.210 -1.457 0.959
134 HG11 VAL 18 HG11 VAL 18 2.440 0.567 0.597
135 HG12 VAL 18 HG12 VAL 18 1.882 -0.139 2.114
136 HG13 VAL 18 HG13 VAL 18 0.841 0.970 1.223
137 HG21 VAL 18 HG21 VAL 18 0.970 0.335 -1.330
138 HG22 VAL 18 HG22 VAL 18 -0.634 -0.131 -0.765
139 HG23 VAL 18 HG23 VAL 18 0.348 -1.279 -1.674
140 H MET 19 H MET 19 1.282 -3.328 2.114
141 HA MET 19 HA MET 19 3.275 -2.578 4.023
142 HB2 MET 19 HB2 MET 19 2.280 -4.371 5.353
143 HB3 MET 19 HB3 MET 19 1.008 -3.521 4.481
144 HG2 MET 19 HG2 MET 19 0.358 -5.582 3.796
145 HG3 MET 19 HG3 MET 19 1.723 -5.487 2.685
146 HE1 MET 19 HE1 MET 19 1.974 -9.137 3.850
147 HE2 MET 19 HE2 MET 19 2.035 -8.023 2.488
148 HE3 MET 19 HE3 MET 19 0.558 -8.160 3.438
149 H SER 20 H SER 20 3.293 -5.071 1.534
150 HA SER 20 HA SER 20 5.623 -6.465 2.691
151 HB2 SER 20 HB2 SER 20 5.362 -7.711 0.442
152 HB3 SER 20 HB3 SER 20 4.034 -7.842 1.589
153 HG SER 20 HG SER 20 2.801 -6.825 0.222
154 H ARG 21 H ARG 21 4.974 -3.949 0.326
155 HA ARG 21 HA ARG 21 7.314 -4.057 -1.278
156 HB2 ARG 21 HB2 ARG 21 5.190 -2.637 -1.462
157 HB3 ARG 21 HB3 ARG 21 5.921 -1.560 -0.274
158 HG2 ARG 21 HG2 ARG 21 7.409 -0.709 -1.774
159 HG3 ARG 21 HG3 ARG 21 7.687 -2.277 -2.532
160 HD2 ARG 21 HD2 ARG 21 6.540 -0.631 -4.060
161 HD3 ARG 21 HD3 ARG 21 5.573 -2.089 -3.771
162 HE ARG 21 HE ARG 21 4.192 -0.818 -2.210
163 HH11 ARG 21 HH11 ARG 21 6.098 1.176 -1.176
164 HH12 ARG 21 HH12 ARG 21 5.637 2.628 -1.998
165 HH21 ARG 21 HH21 ARG 21 3.809 0.971 -4.447
166 HH22 ARG 21 HH22 ARG 21 4.338 2.511 -3.859
167 H PHE 22 H PHE 22 6.782 -1.947 1.594
168 HA PHE 22 HA PHE 22 9.519 -1.108 1.824
169 HB2 PHE 22 HB2 PHE 22 6.997 -0.999 3.372
170 HB3 PHE 22 HB3 PHE 22 8.462 -0.880 4.346
171 HD1 PHE 22 HD1 PHE 22 10.196 0.870 3.765
172 HD2 PHE 22 HD2 PHE 22 6.282 0.810 1.995
173 HE1 PHE 22 HE2 PHE 22 10.480 3.228 3.056
174 HE2 PHE 22 HE1 PHE 22 6.567 3.168 1.285
175 HZ PHE 22 HZ PHE 22 8.666 4.378 1.815
176 H GLY 23 H GLY 23 7.722 -3.830 3.265
177 HA2 GLY 23 HA2 GLY 23 9.764 -4.675 5.089
178 HA3 GLY 23 HA3 GLY 23 8.472 -5.701 4.466
179 H PHE 24 H PHE 24 9.087 -5.526 1.692
180 HA PHE 24 HA PHE 24 11.075 -7.570 1.407
181 HB2 PHE 24 HB2 PHE 24 9.246 -6.010 -0.214
182 HB3 PHE 24 HB3 PHE 24 10.796 -6.166 -1.037
183 HD1 PHE 24 HD1 PHE 24 11.734 -8.402 -1.551
184 HD2 PHE 24 HD2 PHE 24 7.832 -7.933 0.182
185 HE1 PHE 24 HE2 PHE 24 11.186 -10.743 -2.153
186 HE2 PHE 24 HE1 PHE 24 7.283 -10.274 -0.421
187 HZ PHE 24 HZ PHE 24 8.960 -11.680 -1.588
188 H PHE 25 H PHE 25 11.230 -4.052 0.691
189 HA PHE 25 HA PHE 25 13.907 -3.928 -0.235
190 HB2 PHE 25 HB2 PHE 25 11.885 -2.190 0.092
191 HB3 PHE 25 HB3 PHE 25 12.824 -1.763 1.521
192 HD1 PHE 25 HD1 PHE 25 15.353 -1.301 1.188
193 HD2 PHE 25 HD2 PHE 25 12.500 -1.361 -2.023
194 HE1 PHE 25 HE1 PHE 25 16.920 -0.002 -0.229
195 HE2 PHE 25 HE2 PHE 25 14.067 -0.063 -3.440
196 HZ PHE 25 HZ PHE 25 16.278 0.616 -2.543
197 H ALA 26 H ALA 26 12.652 -3.824 3.106
198 HA ALA 26 HA ALA 26 15.228 -3.354 4.354
199 HB1 ALA 26 HB1 ALA 26 13.190 -2.753 5.483
200 HB2 ALA 26 HB2 ALA 26 13.882 -4.095 6.394
201 HB3 ALA 26 HB3 ALA 26 12.534 -4.378 5.291
202 H HIS 27 H HIS 27 13.277 -6.283 3.712
203 HA HIS 27 HA HIS 27 15.480 -7.985 4.786
204 HB2 HIS 27 HB2 HIS 27 12.774 -8.039 5.107
205 HB3 HIS 27 HB3 HIS 27 12.953 -9.154 3.754
206 HD1 HIS 27 HD1 HIS 27 14.276 -11.354 4.175
207 HD2 HIS 27 HD2 HIS 27 13.908 -8.948 7.558
208 HE1 HIS 27 HE1 HIS 27 14.982 -12.777 6.146
209 H LEU 28 H LEU 28 16.127 -6.705 2.351
210 HA LEU 28 HA LEU 28 15.609 -8.655 0.171
211 HB2 LEU 28 HB2 LEU 28 15.818 -5.911 0.318
212 HB3 LEU 28 HB3 LEU 28 17.417 -6.359 -0.270
213 HG LEU 28 HG LEU 28 15.992 -6.006 -2.191
214 HD11 LEU 28 HD11 LEU 28 17.548 -8.067 -2.061
215 HD12 LEU 28 HD12 LEU 28 16.324 -8.050 -3.330
216 HD13 LEU 28 HD13 LEU 28 16.067 -9.005 -1.870
217 HD21 LEU 28 HD21 LEU 28 13.952 -7.563 -2.436
218 HD22 LEU 28 HD22 LEU 28 13.794 -6.207 -1.320
219 HD23 LEU 28 HD23 LEU 28 14.100 -7.829 -0.699
220 H LEU 29 H LEU 29 18.379 -7.258 1.966
221 HA LEU 29 HA LEU 29 20.020 -9.612 1.081
222 HB2 LEU 29 HB2 LEU 29 20.588 -6.652 1.159
223 HB3 LEU 29 HB3 LEU 29 21.913 -7.812 1.251
224 HG LEU 29 HG LEU 29 19.853 -8.173 -0.894
225 HD11 LEU 29 HD11 LEU 29 20.383 -5.804 -1.081
226 HD12 LEU 29 HD12 LEU 29 21.211 -6.676 -2.371
227 HD13 LEU 29 HD13 LEU 29 22.109 -6.146 -0.949
228 HD21 LEU 29 HD21 LEU 29 21.950 -8.915 -2.108
229 HD22 LEU 29 HD22 LEU 29 21.555 -9.872 -0.680
230 HD23 LEU 29 HD23 LEU 29 22.833 -8.658 -0.603
231 HA PRO 30 HA PRO 30 20.605 -10.010 5.462
232 HB2 PRO 30 HB2 PRO 30 22.587 -11.896 5.410
233 HB3 PRO 30 HB3 PRO 30 20.885 -12.272 5.073
234 HG2 PRO 30 HG2 PRO 30 23.152 -11.923 3.192
235 HG3 PRO 30 HG3 PRO 30 21.764 -13.015 3.100
236 HD2 PRO 30 HD2 PRO 30 22.010 -10.664 1.683
237 HD3 PRO 30 HD3 PRO 30 20.470 -11.475 2.043
238 H ARG 31 H ARG 31 21.526 -7.876 5.825
239 HA ARG 31 HA ARG 31 24.511 -7.885 6.067
240 HB2 ARG 31 HB2 ARG 31 23.823 -6.759 3.974
241 HB3 ARG 31 HB3 ARG 31 22.751 -5.703 4.892
242 HG2 ARG 31 HG2 ARG 31 25.484 -5.723 5.948
243 HG3 ARG 31 HG3 ARG 31 25.407 -5.169 4.276
244 HD2 ARG 31 HD2 ARG 31 23.323 -4.072 6.103
245 HD3 ARG 31 HD3 ARG 31 24.982 -3.501 6.363
246 HE ARG 31 HE ARG 31 24.906 -2.442 4.242
247 HH11 ARG 31 HH11 ARG 31 21.861 -2.450 4.826
248 HH12 ARG 31 HH12 ARG 31 21.252 -2.987 3.296
249 HH21 ARG 31 HH21 ARG 31 24.340 -4.120 2.170
250 HH22 ARG 31 HH22 ARG 31 22.662 -3.934 1.787
Start of MODEL 21
1 HA ASP 1 HA ASP 1 -10.565 9.464 20.725
2 HB2 ASP 1 HB2 ASP 1 -13.044 11.070 21.365
3 HB3 ASP 1 HB3 ASP 1 -13.164 9.504 20.565
4 H THR 2 H THR 2 -10.319 9.004 18.569
5 HA THR 2 HA THR 2 -11.803 10.565 16.530
6 HB THR 2 HB THR 2 -9.684 11.795 17.022
7 HG1 THR 2 HG1 THR 2 -9.397 12.174 14.951
8 HG21 THR 2 HG21 THR 2 -8.403 9.207 16.092
9 HG22 THR 2 HG22 THR 2 -8.277 9.921 17.700
10 HG23 THR 2 HG23 THR 2 -7.540 10.728 16.317
11 H GLU 3 H GLU 3 -11.477 9.575 14.323
12 HA GLU 3 HA GLU 3 -10.413 6.819 14.261
13 HB2 GLU 3 HB2 GLU 3 -12.729 6.764 15.239
14 HB3 GLU 3 HB3 GLU 3 -13.335 7.460 13.738
15 HG2 GLU 3 HG2 GLU 3 -11.924 5.393 12.721
16 HG3 GLU 3 HG3 GLU 3 -12.346 4.709 14.291
17 H ILE 4 H ILE 4 -12.872 7.484 11.963
18 HA ILE 4 HA ILE 4 -12.829 7.973 9.671
19 HB ILE 4 HB ILE 4 -10.476 9.667 10.590
20 HG12 ILE 4 HG12 ILE 4 -13.099 10.897 10.001
21 HG13 ILE 4 HG13 ILE 4 -13.089 9.839 11.412
22 HG21 ILE 4 HG21 ILE 4 -11.041 11.032 8.573
23 HG22 ILE 4 HG22 ILE 4 -12.192 9.787 8.089
24 HG23 ILE 4 HG23 ILE 4 -10.470 9.415 8.161
25 HD11 ILE 4 HD11 ILE 4 -11.000 11.981 10.981
26 HD12 ILE 4 HD12 ILE 4 -11.352 11.094 12.464
27 HD13 ILE 4 HD13 ILE 4 -12.501 12.285 11.854
28 H ILE 5 H ILE 5 -9.305 8.283 10.012
29 HA ILE 5 HA ILE 5 -7.530 7.009 9.149
30 HB ILE 5 HB ILE 5 -9.616 4.799 9.208
31 HG12 ILE 5 HG12 ILE 5 -7.651 4.815 11.355
32 HG13 ILE 5 HG13 ILE 5 -8.579 6.314 11.342
33 HG21 ILE 5 HG21 ILE 5 -7.615 4.231 7.894
34 HG22 ILE 5 HG22 ILE 5 -7.642 3.320 9.404
35 HG23 ILE 5 HG23 ILE 5 -6.582 4.720 9.238
36 HD11 ILE 5 HD11 ILE 5 -10.675 4.895 11.185
37 HD12 ILE 5 HD12 ILE 5 -9.796 4.752 12.707
38 HD13 ILE 5 HD13 ILE 5 -9.655 3.487 11.486
39 H GLY 6 H GLY 6 -6.887 7.422 7.091
40 HA2 GLY 6 HA2 GLY 6 -8.764 7.395 4.857
41 HA3 GLY 6 HA3 GLY 6 -7.039 7.752 4.756
42 H GLY 7 H GLY 7 -9.285 5.013 5.234
43 HA2 GLY 7 HA2 GLY 7 -7.587 3.381 3.436
44 HA3 GLY 7 HA3 GLY 7 -7.849 2.761 5.066
45 H LEU 8 H LEU 8 -10.198 4.522 3.058
46 HA LEU 8 HA LEU 8 -11.960 2.098 3.158
47 HB2 LEU 8 HB2 LEU 8 -12.282 4.901 3.807
48 HB3 LEU 8 HB3 LEU 8 -13.445 4.430 2.566
49 HG LEU 8 HG LEU 8 -13.607 2.289 4.251
50 HD11 LEU 8 HD11 LEU 8 -13.269 4.725 6.024
51 HD12 LEU 8 HD12 LEU 8 -12.048 3.466 5.841
52 HD13 LEU 8 HD13 LEU 8 -13.620 3.076 6.542
53 HD21 LEU 8 HD21 LEU 8 -15.446 3.713 3.293
54 HD22 LEU 8 HD22 LEU 8 -15.158 4.875 4.587
55 HD23 LEU 8 HD23 LEU 8 -15.720 3.248 4.972
56 H THR 9 H THR 9 -10.030 3.809 1.034
57 HA THR 9 HA THR 9 -11.827 3.254 -1.304
58 HB THR 9 HB THR 9 -9.407 5.062 -1.308
59 HG1 THR 9 HG1 THR 9 -10.413 6.198 0.145
60 HG21 THR 9 HG21 THR 9 -10.377 4.646 -3.466
61 HG22 THR 9 HG22 THR 9 -10.874 6.267 -2.983
62 HG23 THR 9 HG23 THR 9 -12.006 4.923 -2.851
63 H ILE 10 H ILE 10 -9.914 1.381 0.164
64 HA ILE 10 HA ILE 10 -8.415 0.484 -2.246
65 HB ILE 10 HB ILE 10 -6.452 0.081 -0.586
66 HG12 ILE 10 HG12 ILE 10 -7.581 2.423 0.910
67 HG13 ILE 10 HG13 ILE 10 -8.135 0.806 1.343
68 HG21 ILE 10 HG21 ILE 10 -5.503 2.174 -1.153
69 HG22 ILE 10 HG22 ILE 10 -7.069 2.984 -1.132
70 HG23 ILE 10 HG23 ILE 10 -6.675 1.861 -2.434
71 HD11 ILE 10 HD11 ILE 10 -5.216 1.600 1.163
72 HD12 ILE 10 HD12 ILE 10 -5.865 0.076 1.771
73 HD13 ILE 10 HD13 ILE 10 -6.140 1.572 2.664
74 HA PRO 11 HA PRO 11 -10.151 -3.302 -0.669
75 HB2 PRO 11 HB2 PRO 11 -9.037 -4.965 -2.540
76 HB3 PRO 11 HB3 PRO 11 -10.439 -3.929 -2.878
77 HG2 PRO 11 HG2 PRO 11 -7.574 -3.524 -3.572
78 HG3 PRO 11 HG3 PRO 11 -9.028 -3.157 -4.513
79 HD2 PRO 11 HD2 PRO 11 -7.598 -1.276 -3.151
80 HD3 PRO 11 HD3 PRO 11 -9.336 -1.135 -3.494
81 HA PRO 12 HA PRO 12 -6.963 -5.268 1.662
82 HB2 PRO 12 HB2 PRO 12 -7.427 -7.954 1.373
83 HB3 PRO 12 HB3 PRO 12 -8.457 -6.889 2.351
84 HG2 PRO 12 HG2 PRO 12 -8.882 -7.911 -0.417
85 HG3 PRO 12 HG3 PRO 12 -10.044 -7.719 0.906
86 HD2 PRO 12 HD2 PRO 12 -9.859 -5.966 -1.153
87 HD3 PRO 12 HD3 PRO 12 -10.361 -5.484 0.483
88 H VAL 13 H VAL 13 -7.231 -6.221 -1.712
89 HA VAL 13 HA VAL 13 -4.753 -7.712 -1.895
90 HB VAL 13 HB VAL 13 -6.417 -6.210 -3.950
91 HG11 VAL 13 HG11 VAL 13 -5.319 -7.874 -5.532
92 HG12 VAL 13 HG12 VAL 13 -4.187 -8.240 -4.229
93 HG13 VAL 13 HG13 VAL 13 -4.254 -6.614 -4.909
94 HG21 VAL 13 HG21 VAL 13 -6.983 -8.778 -4.401
95 HG22 VAL 13 HG22 VAL 13 -7.865 -7.853 -3.185
96 HG23 VAL 13 HG23 VAL 13 -6.554 -8.928 -2.697
97 H VAL 14 H VAL 14 -5.600 -4.347 -2.877
98 HA VAL 14 HA VAL 14 -2.940 -3.576 -3.602
99 HB VAL 14 HB VAL 14 -5.199 -2.470 -4.110
100 HG11 VAL 14 HG11 VAL 14 -6.054 -2.329 -1.824
101 HG12 VAL 14 HG12 VAL 14 -5.901 -0.712 -2.504
102 HG13 VAL 14 HG13 VAL 14 -4.700 -1.302 -1.356
103 HG21 VAL 14 HG21 VAL 14 -2.971 -0.693 -3.071
104 HG22 VAL 14 HG22 VAL 14 -4.206 -0.233 -4.243
105 HG23 VAL 14 HG23 VAL 14 -3.003 -1.453 -4.663
106 H ALA 15 H ALA 15 -4.630 -3.547 -0.472
107 HA ALA 15 HA ALA 15 -2.685 -1.998 0.987
108 HB1 ALA 15 HB1 ALA 15 -4.508 -4.213 1.981
109 HB2 ALA 15 HB2 ALA 15 -5.069 -2.578 1.628
110 HB3 ALA 15 HB3 ALA 15 -3.891 -2.849 2.913
111 H LEU 16 H LEU 16 -3.054 -5.491 0.366
112 HA LEU 16 HA LEU 16 -0.877 -6.384 2.031
113 HB2 LEU 16 HB2 LEU 16 -2.843 -7.669 0.982
114 HB3 LEU 16 HB3 LEU 16 -1.907 -7.668 -0.513
115 HG LEU 16 HG LEU 16 0.012 -8.562 1.110
116 HD11 LEU 16 HD11 LEU 16 -0.986 -10.101 2.798
117 HD12 LEU 16 HD12 LEU 16 -2.575 -9.423 2.444
118 HD13 LEU 16 HD13 LEU 16 -1.322 -8.406 3.156
119 HD21 LEU 16 HD21 LEU 16 -0.766 -10.890 0.540
120 HD22 LEU 16 HD22 LEU 16 -0.769 -9.786 -0.834
121 HD23 LEU 16 HD23 LEU 16 -2.283 -10.191 -0.024
122 H VAL 17 H VAL 17 -1.090 -5.422 -1.398
123 HA VAL 17 HA VAL 17 1.579 -6.132 -2.177
124 HB VAL 17 HB VAL 17 -0.380 -4.015 -3.135
125 HG11 VAL 17 HG11 VAL 17 1.828 -3.396 -3.923
126 HG12 VAL 17 HG12 VAL 17 0.953 -4.127 -5.269
127 HG13 VAL 17 HG13 VAL 17 2.172 -5.059 -4.400
128 HG21 VAL 17 HG21 VAL 17 -1.366 -5.669 -4.349
129 HG22 VAL 17 HG22 VAL 17 -0.571 -6.765 -3.220
130 HG23 VAL 17 HG23 VAL 17 0.181 -6.402 -4.773
131 H VAL 18 H VAL 18 0.242 -3.267 -0.567
132 HA VAL 18 HA VAL 18 2.665 -1.657 -0.800
133 HB VAL 18 HB VAL 18 0.212 -1.515 0.994
134 HG11 VAL 18 HG11 VAL 18 0.861 0.803 1.421
135 HG12 VAL 18 HG12 VAL 18 2.280 0.624 0.389
136 HG13 VAL 18 HG13 VAL 18 2.174 -0.268 1.907
137 HG21 VAL 18 HG21 VAL 18 0.601 0.469 -1.148
138 HG22 VAL 18 HG22 VAL 18 -0.843 -0.445 -0.712
139 HG23 VAL 18 HG23 VAL 18 0.389 -1.178 -1.740
140 H MET 19 H MET 19 1.199 -3.680 1.763
141 HA MET 19 HA MET 19 3.162 -3.170 3.794
142 HB2 MET 19 HB2 MET 19 0.811 -4.244 3.890
143 HB3 MET 19 HB3 MET 19 1.613 -5.739 3.407
144 HG2 MET 19 HG2 MET 19 2.473 -6.057 5.472
145 HG3 MET 19 HG3 MET 19 3.022 -4.384 5.581
146 HE1 MET 19 HE1 MET 19 0.586 -7.027 6.581
147 HE2 MET 19 HE2 MET 19 -0.059 -6.247 8.024
148 HE3 MET 19 HE3 MET 19 1.684 -6.413 7.826
149 H SER 20 H SER 20 3.023 -5.558 1.150
150 HA SER 20 HA SER 20 5.514 -6.874 2.057
151 HB2 SER 20 HB2 SER 20 3.311 -7.808 0.863
152 HB3 SER 20 HB3 SER 20 4.200 -7.370 -0.593
153 HG SER 20 HG SER 20 5.800 -8.771 -0.037
154 H ARG 21 H ARG 21 6.011 -4.177 1.563
155 HA ARG 21 HA ARG 21 7.759 -4.313 -0.850
156 HB2 ARG 21 HB2 ARG 21 5.291 -3.100 -0.873
157 HB3 ARG 21 HB3 ARG 21 6.341 -1.752 -0.437
158 HG2 ARG 21 HG2 ARG 21 6.718 -1.571 -2.666
159 HG3 ARG 21 HG3 ARG 21 7.779 -2.963 -2.448
160 HD2 ARG 21 HD2 ARG 21 6.408 -3.835 -4.100
161 HD3 ARG 21 HD3 ARG 21 5.409 -4.255 -2.696
162 HE ARG 21 HE ARG 21 4.020 -2.315 -3.144
163 HH11 ARG 21 HH11 ARG 21 4.526 -3.635 -5.907
164 HH12 ARG 21 HH12 ARG 21 4.790 -2.226 -6.877
165 HH21 ARG 21 HH21 ARG 21 5.248 -0.115 -4.153
166 HH22 ARG 21 HH22 ARG 21 5.201 -0.225 -5.880
167 H PHE 22 H PHE 22 6.749 -1.981 1.704
168 HA PHE 22 HA PHE 22 9.277 -0.656 1.916
169 HB2 PHE 22 HB2 PHE 22 6.918 -1.028 3.783
170 HB3 PHE 22 HB3 PHE 22 8.269 0.039 4.165
171 HD1 PHE 22 HD1 PHE 22 8.814 1.958 2.618
172 HD2 PHE 22 HD2 PHE 22 5.235 -0.384 2.214
173 HE1 PHE 22 HE2 PHE 22 7.810 3.735 1.210
174 HE2 PHE 22 HE1 PHE 22 4.233 1.393 0.804
175 HZ PHE 22 HZ PHE 22 5.519 3.451 0.303
176 H GLY 23 H GLY 23 7.842 -3.110 4.121
177 HA2 GLY 23 HA2 GLY 23 10.291 -3.478 5.613
178 HA3 GLY 23 HA3 GLY 23 8.881 -4.534 5.680
179 H PHE 24 H PHE 24 8.914 -4.970 2.736
180 HA PHE 24 HA PHE 24 10.538 -7.330 2.620
181 HB2 PHE 24 HB2 PHE 24 8.557 -5.978 1.102
182 HB3 PHE 24 HB3 PHE 24 9.927 -6.216 0.021
183 HD1 PHE 24 HD1 PHE 24 7.831 -8.050 2.531
184 HD2 PHE 24 HD2 PHE 24 10.245 -8.295 -1.013
185 HE1 PHE 24 HE2 PHE 24 7.222 -10.439 2.281
186 HE2 PHE 24 HE1 PHE 24 9.636 -10.685 -1.262
187 HZ PHE 24 HZ PHE 24 8.125 -11.758 0.384
188 H PHE 25 H PHE 25 11.041 -4.028 1.348
189 HA PHE 25 HA PHE 25 13.422 -4.459 -0.137
190 HB2 PHE 25 HB2 PHE 25 11.847 -2.408 0.148
191 HB3 PHE 25 HB3 PHE 25 12.870 -1.999 1.525
192 HD1 PHE 25 HD1 PHE 25 12.859 -2.601 -2.144
193 HD2 PHE 25 HD2 PHE 25 15.075 -1.113 1.222
194 HE1 PHE 25 HE2 PHE 25 14.540 -1.621 -3.682
195 HE2 PHE 25 HE1 PHE 25 16.753 -0.132 -0.315
196 HZ PHE 25 HZ PHE 25 16.487 -0.387 -2.769
197 H ALA 26 H ALA 26 12.953 -4.079 3.357
198 HA ALA 26 HA ALA 26 15.588 -3.494 4.202
199 HB1 ALA 26 HB1 ALA 26 14.828 -4.415 6.328
200 HB2 ALA 26 HB2 ALA 26 13.560 -5.332 5.515
201 HB3 ALA 26 HB3 ALA 26 13.480 -3.570 5.566
202 H HIS 27 H HIS 27 14.102 -6.703 3.571
203 HA HIS 27 HA HIS 27 16.831 -7.929 3.785
204 HB2 HIS 27 HB2 HIS 27 14.621 -8.559 5.144
205 HB3 HIS 27 HB3 HIS 27 14.278 -9.498 3.691
206 HD1 HIS 27 HD1 HIS 27 16.251 -11.215 2.955
207 HD2 HIS 27 HD2 HIS 27 16.451 -9.760 6.856
208 HE1 HIS 27 HE1 HIS 27 17.826 -12.750 4.213
209 H LEU 28 H LEU 28 16.279 -6.551 1.387
210 HA LEU 28 HA LEU 28 15.638 -8.742 -0.562
211 HB2 LEU 28 HB2 LEU 28 14.669 -6.117 -0.214
212 HB3 LEU 28 HB3 LEU 28 15.707 -6.043 -1.636
213 HG LEU 28 HG LEU 28 13.384 -6.607 -2.257
214 HD11 LEU 28 HD11 LEU 28 13.887 -8.564 -3.620
215 HD12 LEU 28 HD12 LEU 28 15.243 -8.983 -2.574
216 HD13 LEU 28 HD13 LEU 28 15.308 -7.522 -3.560
217 HD21 LEU 28 HD21 LEU 28 13.673 -8.407 0.009
218 HD22 LEU 28 HD22 LEU 28 13.135 -9.279 -1.426
219 HD23 LEU 28 HD23 LEU 28 12.209 -7.902 -0.832
220 H LEU 29 H LEU 29 17.867 -5.997 0.032
221 HA LEU 29 HA LEU 29 19.778 -7.256 -1.908
222 HB2 LEU 29 HB2 LEU 29 20.659 -4.869 -2.074
223 HB3 LEU 29 HB3 LEU 29 19.037 -5.121 -2.712
224 HG LEU 29 HG LEU 29 19.060 -4.436 0.148
225 HD11 LEU 29 HD11 LEU 29 21.022 -3.113 -0.659
226 HD12 LEU 29 HD12 LEU 29 19.676 -2.096 -0.148
227 HD13 LEU 29 HD13 LEU 29 19.979 -2.361 -1.865
228 HD21 LEU 29 HD21 LEU 29 17.121 -4.509 -1.561
229 HD22 LEU 29 HD22 LEU 29 17.752 -2.971 -2.150
230 HD23 LEU 29 HD23 LEU 29 17.192 -3.114 -0.484
231 HA PRO 30 HA PRO 30 22.045 -7.749 1.954
232 HB2 PRO 30 HB2 PRO 30 23.839 -9.561 0.966
233 HB3 PRO 30 HB3 PRO 30 22.199 -10.006 1.478
234 HG2 PRO 30 HG2 PRO 30 23.285 -9.606 -1.254
235 HG3 PRO 30 HG3 PRO 30 22.069 -10.754 -0.676
236 HD2 PRO 30 HD2 PRO 30 21.507 -8.425 -2.038
237 HD3 PRO 30 HD3 PRO 30 20.363 -9.282 -0.984
238 H ARG 31 H ARG 31 24.325 -7.280 2.560
239 HA ARG 31 HA ARG 31 26.295 -5.994 2.441
240 HB2 ARG 31 HB2 ARG 31 26.097 -7.652 0.177
241 HB3 ARG 31 HB3 ARG 31 26.571 -6.079 -0.460
242 HG2 ARG 31 HG2 ARG 31 28.023 -6.801 1.985
243 HG3 ARG 31 HG3 ARG 31 28.290 -7.939 0.664
244 HD2 ARG 31 HD2 ARG 31 28.422 -4.996 0.066
245 HD3 ARG 31 HD3 ARG 31 29.808 -5.779 0.848
246 HE ARG 31 HE ARG 31 28.752 -6.438 -1.850
247 HH11 ARG 31 HH11 ARG 31 31.620 -5.717 -1.351
248 HH12 ARG 31 HH12 ARG 31 32.392 -7.268 -1.356
249 HH21 ARG 31 HH21 ARG 31 29.427 -9.035 -0.947
250 HH22 ARG 31 HH22 ARG 31 31.145 -9.155 -1.127
Start of MODEL 22
1 HA ASP 1 HA ASP 1 -9.118 5.055 -17.211
2 HB2 ASP 1 HB2 ASP 1 -10.332 7.355 -17.254
3 HB3 ASP 1 HB3 ASP 1 -11.483 6.606 -16.147
4 H THR 2 H THR 2 -9.131 3.084 -16.193
5 HA THR 2 HA THR 2 -11.575 2.273 -14.677
6 HB THR 2 HB THR 2 -10.019 0.535 -16.626
7 HG1 THR 2 HG1 THR 2 -11.642 0.872 -17.993
8 HG21 THR 2 HG21 THR 2 -11.918 -1.055 -16.213
9 HG22 THR 2 HG22 THR 2 -12.467 0.009 -14.920
10 HG23 THR 2 HG23 THR 2 -10.899 -0.789 -14.799
11 H GLU 3 H GLU 3 -10.715 2.251 -12.612
12 HA GLU 3 HA GLU 3 -8.550 0.343 -12.010
13 HB2 GLU 3 HB2 GLU 3 -8.007 3.067 -12.557
14 HB3 GLU 3 HB3 GLU 3 -7.867 2.891 -10.808
15 HG2 GLU 3 HG2 GLU 3 -6.576 0.898 -12.666
16 HG3 GLU 3 HG3 GLU 3 -5.764 2.408 -12.255
17 H ILE 4 H ILE 4 -11.243 0.278 -11.190
18 HA ILE 4 HA ILE 4 -11.198 1.255 -8.356
19 HB ILE 4 HB ILE 4 -13.471 0.294 -10.128
20 HG12 ILE 4 HG12 ILE 4 -12.559 2.386 -10.984
21 HG13 ILE 4 HG13 ILE 4 -14.086 2.726 -10.173
22 HG21 ILE 4 HG21 ILE 4 -14.200 -0.027 -7.914
23 HG22 ILE 4 HG22 ILE 4 -14.790 1.590 -8.297
24 HG23 ILE 4 HG23 ILE 4 -13.332 1.391 -7.325
25 HD11 ILE 4 HD11 ILE 4 -11.285 3.331 -9.257
26 HD12 ILE 4 HD12 ILE 4 -12.575 3.139 -8.069
27 HD13 ILE 4 HD13 ILE 4 -12.693 4.393 -9.303
28 H ILE 5 H ILE 5 -10.273 -0.373 -7.136
29 HA ILE 5 HA ILE 5 -11.497 -3.101 -7.340
30 HB ILE 5 HB ILE 5 -9.131 -3.931 -6.839
31 HG12 ILE 5 HG12 ILE 5 -8.258 -1.231 -7.874
32 HG13 ILE 5 HG13 ILE 5 -8.417 -1.530 -6.143
33 HG21 ILE 5 HG21 ILE 5 -10.291 -3.854 -9.126
34 HG22 ILE 5 HG22 ILE 5 -8.530 -3.958 -9.141
35 HG23 ILE 5 HG23 ILE 5 -9.325 -2.414 -9.446
36 HD11 ILE 5 HD11 ILE 5 -6.866 -3.446 -6.334
37 HD12 ILE 5 HD12 ILE 5 -6.108 -1.952 -6.888
38 HD13 ILE 5 HD13 ILE 5 -6.696 -3.131 -8.061
39 H GLY 6 H GLY 6 -12.625 -1.614 -5.495
40 HA2 GLY 6 HA2 GLY 6 -11.445 -2.560 -2.938
41 HA3 GLY 6 HA3 GLY 6 -11.813 -0.840 -3.087
42 H GLY 7 H GLY 7 -13.888 -0.189 -2.663
43 HA2 GLY 7 HA2 GLY 7 -16.308 -1.372 -3.226
44 HA3 GLY 7 HA3 GLY 7 -15.817 -2.183 -1.738
45 H LEU 8 H LEU 8 -15.104 -0.617 0.063
46 HA LEU 8 HA LEU 8 -16.945 1.754 0.075
47 HB2 LEU 8 HB2 LEU 8 -16.921 -0.490 1.671
48 HB3 LEU 8 HB3 LEU 8 -15.973 0.641 2.635
49 HG LEU 8 HG LEU 8 -18.574 1.520 1.398
50 HD11 LEU 8 HD11 LEU 8 -19.048 -0.559 2.656
51 HD12 LEU 8 HD12 LEU 8 -19.730 0.852 3.465
52 HD13 LEU 8 HD13 LEU 8 -18.242 0.121 4.070
53 HD21 LEU 8 HD21 LEU 8 -18.506 2.906 3.572
54 HD22 LEU 8 HD22 LEU 8 -17.315 3.309 2.335
55 HD23 LEU 8 HD23 LEU 8 -16.842 2.348 3.736
56 H THR 9 H THR 9 -14.577 2.310 -1.078
57 HA THR 9 HA THR 9 -12.687 3.710 -0.952
58 HB THR 9 HB THR 9 -13.749 4.501 1.770
59 HG1 THR 9 HG1 THR 9 -15.548 4.960 0.817
60 HG21 THR 9 HG21 THR 9 -13.132 6.793 0.592
61 HG22 THR 9 HG22 THR 9 -12.120 5.751 -0.408
62 HG23 THR 9 HG23 THR 9 -11.880 5.799 1.338
63 H ILE 10 H ILE 10 -12.447 0.962 0.061
64 HA ILE 10 HA ILE 10 -10.106 1.370 1.867
65 HB ILE 10 HB ILE 10 -10.972 -0.695 3.131
66 HG12 ILE 10 HG12 ILE 10 -13.743 0.017 2.396
67 HG13 ILE 10 HG13 ILE 10 -12.840 -0.784 1.111
68 HG21 ILE 10 HG21 ILE 10 -12.816 1.682 3.367
69 HG22 ILE 10 HG22 ILE 10 -11.118 1.789 3.829
70 HG23 ILE 10 HG23 ILE 10 -12.185 0.648 4.649
71 HD11 ILE 10 HD11 ILE 10 -13.915 -2.493 2.447
72 HD12 ILE 10 HD12 ILE 10 -13.268 -1.798 3.933
73 HD13 ILE 10 HD13 ILE 10 -12.182 -2.556 2.769
74 HA PRO 11 HA PRO 11 -8.794 -1.532 -1.318
75 HB2 PRO 11 HB2 PRO 11 -6.143 -0.888 -1.168
76 HB3 PRO 11 HB3 PRO 11 -7.324 0.088 -2.058
77 HG2 PRO 11 HG2 PRO 11 -5.997 0.624 0.507
78 HG3 PRO 11 HG3 PRO 11 -6.697 1.749 -0.661
79 HD2 PRO 11 HD2 PRO 11 -7.841 0.867 1.777
80 HD3 PRO 11 HD3 PRO 11 -8.606 1.871 0.528
81 HA PRO 12 HA PRO 12 -7.519 -4.403 1.937
82 HB2 PRO 12 HB2 PRO 12 -8.539 -6.648 0.751
83 HB3 PRO 12 HB3 PRO 12 -9.524 -5.504 1.682
84 HG2 PRO 12 HG2 PRO 12 -9.387 -5.929 -1.223
85 HG3 PRO 12 HG3 PRO 12 -10.692 -5.262 -0.236
86 HD2 PRO 12 HD2 PRO 12 -8.840 -3.825 -1.828
87 HD3 PRO 12 HD3 PRO 12 -10.044 -3.157 -0.705
88 H VAL 13 H VAL 13 -7.395 -5.906 -1.337
89 HA VAL 13 HA VAL 13 -4.926 -7.284 -0.876
90 HB VAL 13 HB VAL 13 -6.344 -6.404 -3.416
91 HG11 VAL 13 HG11 VAL 13 -5.040 -8.557 -4.232
92 HG12 VAL 13 HG12 VAL 13 -3.939 -8.130 -2.922
93 HG13 VAL 13 HG13 VAL 13 -4.242 -6.984 -4.229
94 HG21 VAL 13 HG21 VAL 13 -6.581 -8.719 -1.531
95 HG22 VAL 13 HG22 VAL 13 -6.824 -9.026 -3.251
96 HG23 VAL 13 HG23 VAL 13 -7.844 -7.858 -2.411
97 H VAL 14 H VAL 14 -5.612 -4.120 -2.390
98 HA VAL 14 HA VAL 14 -3.031 -3.529 -3.414
99 HB VAL 14 HB VAL 14 -5.113 -1.716 -2.144
100 HG11 VAL 14 HG11 VAL 14 -4.120 0.081 -3.414
101 HG12 VAL 14 HG12 VAL 14 -3.010 -1.032 -4.216
102 HG13 VAL 14 HG13 VAL 14 -2.829 -0.694 -2.494
103 HG21 VAL 14 HG21 VAL 14 -4.825 -3.021 -4.823
104 HG22 VAL 14 HG22 VAL 14 -5.509 -1.397 -4.758
105 HG23 VAL 14 HG23 VAL 14 -6.283 -2.715 -3.879
106 H ALA 15 H ALA 15 -4.370 -2.985 -0.140
107 HA ALA 15 HA ALA 15 -2.057 -1.686 0.973
108 HB1 ALA 15 HB1 ALA 15 -4.315 -3.336 2.156
109 HB2 ALA 15 HB2 ALA 15 -4.249 -1.579 2.011
110 HB3 ALA 15 HB3 ALA 15 -3.170 -2.413 3.129
111 H LEU 16 H LEU 16 -3.044 -5.108 0.765
112 HA LEU 16 HA LEU 16 -0.940 -6.217 2.372
113 HB2 LEU 16 HB2 LEU 16 -3.200 -7.088 1.049
114 HB3 LEU 16 HB3 LEU 16 -1.917 -7.798 0.072
115 HG LEU 16 HG LEU 16 -2.574 -9.345 1.862
116 HD11 LEU 16 HD11 LEU 16 -0.131 -9.054 1.132
117 HD12 LEU 16 HD12 LEU 16 -0.400 -9.848 2.683
118 HD13 LEU 16 HD13 LEU 16 0.097 -8.157 2.633
119 HD21 LEU 16 HD21 LEU 16 -2.457 -8.774 4.178
120 HD22 LEU 16 HD22 LEU 16 -3.313 -7.439 3.406
121 HD23 LEU 16 HD23 LEU 16 -1.612 -7.263 3.838
122 H VAL 17 H VAL 17 -1.176 -5.549 -1.134
123 HA VAL 17 HA VAL 17 1.341 -6.690 -1.908
124 HB VAL 17 HB VAL 17 -0.422 -4.476 -3.006
125 HG11 VAL 17 HG11 VAL 17 1.693 -3.970 -3.950
126 HG12 VAL 17 HG12 VAL 17 0.901 -4.970 -5.167
127 HG13 VAL 17 HG13 VAL 17 2.124 -5.673 -4.107
128 HG21 VAL 17 HG21 VAL 17 0.053 -7.367 -3.807
129 HG22 VAL 17 HG22 VAL 17 -0.995 -6.240 -4.669
130 HG23 VAL 17 HG23 VAL 17 -1.392 -6.731 -3.023
131 H VAL 18 H VAL 18 0.443 -3.398 -0.839
132 HA VAL 18 HA VAL 18 3.014 -2.168 -1.186
133 HB VAL 18 HB VAL 18 0.704 -1.643 0.722
134 HG11 VAL 18 HG11 VAL 18 3.175 -0.025 0.067
135 HG12 VAL 18 HG12 VAL 18 2.577 -0.501 1.657
136 HG13 VAL 18 HG13 VAL 18 1.711 0.715 0.717
137 HG21 VAL 18 HG21 VAL 18 0.717 -1.478 -2.002
138 HG22 VAL 18 HG22 VAL 18 1.281 0.138 -1.578
139 HG23 VAL 18 HG23 VAL 18 -0.267 -0.444 -0.966
140 H MET 19 H MET 19 1.552 -3.960 1.531
141 HA MET 19 HA MET 19 3.617 -3.524 3.468
142 HB2 MET 19 HB2 MET 19 1.228 -4.526 3.651
143 HB3 MET 19 HB3 MET 19 1.977 -6.047 3.164
144 HG2 MET 19 HG2 MET 19 1.980 -6.044 5.559
145 HG3 MET 19 HG3 MET 19 3.638 -5.695 5.066
146 HE1 MET 19 HE1 MET 19 4.799 -3.890 6.853
147 HE2 MET 19 HE2 MET 19 4.511 -2.359 6.029
148 HE3 MET 19 HE3 MET 19 4.785 -3.822 5.085
149 H SER 20 H SER 20 3.193 -6.036 0.959
150 HA SER 20 HA SER 20 5.457 -7.661 1.635
151 HB2 SER 20 HB2 SER 20 3.451 -8.013 0.006
152 HB3 SER 20 HB3 SER 20 4.442 -7.153 -1.168
153 HG SER 20 HG SER 20 6.011 -8.729 -0.956
154 H ARG 21 H ARG 21 5.111 -4.814 -0.496
155 HA ARG 21 HA ARG 21 7.755 -4.777 -1.585
156 HB2 ARG 21 HB2 ARG 21 5.518 -2.837 -1.108
157 HB3 ARG 21 HB3 ARG 21 7.089 -2.183 -1.570
158 HG2 ARG 21 HG2 ARG 21 6.880 -4.199 -3.372
159 HG3 ARG 21 HG3 ARG 21 5.174 -3.805 -3.157
160 HD2 ARG 21 HD2 ARG 21 7.162 -1.579 -3.587
161 HD3 ARG 21 HD3 ARG 21 6.542 -2.494 -4.976
162 HE ARG 21 HE ARG 21 4.759 -1.098 -3.008
163 HH11 ARG 21 HH11 ARG 21 3.482 -3.131 -4.800
164 HH12 ARG 21 HH12 ARG 21 2.958 -2.164 -6.137
165 HH21 ARG 21 HH21 ARG 21 4.985 0.538 -5.313
166 HH22 ARG 21 HH22 ARG 21 3.812 -0.077 -6.428
167 H PHE 22 H PHE 22 6.397 -3.275 1.366
168 HA PHE 22 HA PHE 22 8.756 -1.903 2.227
169 HB2 PHE 22 HB2 PHE 22 6.531 -1.465 3.124
170 HB3 PHE 22 HB3 PHE 22 6.409 -3.119 3.723
171 HD1 PHE 22 HD1 PHE 22 8.419 0.016 4.048
172 HD2 PHE 22 HD2 PHE 22 7.237 -3.695 5.859
173 HE1 PHE 22 HE1 PHE 22 9.527 0.694 6.159
174 HE2 PHE 22 HE2 PHE 22 8.345 -3.017 7.970
175 HZ PHE 22 HZ PHE 22 9.490 -0.823 8.121
176 H GLY 23 H GLY 23 7.585 -5.223 2.869
177 HA2 GLY 23 HA2 GLY 23 9.565 -5.994 4.759
178 HA3 GLY 23 HA3 GLY 23 8.723 -7.111 3.681
179 H PHE 24 H PHE 24 9.596 -6.086 1.194
180 HA PHE 24 HA PHE 24 12.165 -7.350 0.896
181 HB2 PHE 24 HB2 PHE 24 10.075 -6.320 -0.705
182 HB3 PHE 24 HB3 PHE 24 11.518 -5.427 -1.184
183 HD1 PHE 24 HD1 PHE 24 13.559 -6.658 -1.950
184 HD2 PHE 24 HD2 PHE 24 9.829 -8.655 -1.202
185 HE1 PHE 24 HE1 PHE 24 14.355 -8.628 -3.230
186 HE2 PHE 24 HE2 PHE 24 10.627 -10.624 -2.480
187 HZ PHE 24 HZ PHE 24 12.890 -10.610 -3.495
188 H PHE 25 H PHE 25 11.170 -3.910 0.976
189 HA PHE 25 HA PHE 25 13.789 -2.783 0.625
190 HB2 PHE 25 HB2 PHE 25 11.309 -1.816 0.600
191 HB3 PHE 25 HB3 PHE 25 11.664 -1.471 2.293
192 HD1 PHE 25 HD1 PHE 25 14.006 -0.325 2.749
193 HD2 PHE 25 HD2 PHE 25 11.958 -0.267 -1.029
194 HE1 PHE 25 HE1 PHE 25 15.317 1.665 2.070
195 HE2 PHE 25 HE2 PHE 25 13.270 1.724 -1.706
196 HZ PHE 25 HZ PHE 25 14.949 2.690 -0.158
197 H ALA 26 H ALA 26 11.941 -3.706 3.540
198 HA ALA 26 HA ALA 26 13.727 -2.699 5.522
199 HB1 ALA 26 HB1 ALA 26 11.974 -5.180 5.546
200 HB2 ALA 26 HB2 ALA 26 11.406 -3.540 5.864
201 HB3 ALA 26 HB3 ALA 26 12.550 -4.307 6.967
202 H HIS 27 H HIS 27 13.735 -5.749 3.690
203 HA HIS 27 HA HIS 27 15.851 -7.040 5.176
204 HB2 HIS 27 HB2 HIS 27 14.319 -7.382 2.660
205 HB3 HIS 27 HB3 HIS 27 15.919 -8.119 2.658
206 HD1 HIS 27 HD1 HIS 27 13.318 -7.847 5.448
207 HD2 HIS 27 HD2 HIS 27 15.496 -10.746 3.389
208 HE1 HIS 27 HE1 HIS 27 12.761 -10.066 6.532
209 H LEU 28 H LEU 28 15.801 -4.818 2.405
210 HA LEU 28 HA LEU 28 18.685 -5.105 1.893
211 HB2 LEU 28 HB2 LEU 28 16.306 -3.770 0.730
212 HB3 LEU 28 HB3 LEU 28 17.827 -2.910 0.496
213 HG LEU 28 HG LEU 28 18.773 -5.216 -0.238
214 HD11 LEU 28 HD11 LEU 28 16.884 -6.580 0.507
215 HD12 LEU 28 HD12 LEU 28 17.028 -6.687 -1.247
216 HD13 LEU 28 HD13 LEU 28 15.785 -5.666 -0.527
217 HD21 LEU 28 HD21 LEU 28 17.876 -4.853 -2.558
218 HD22 LEU 28 HD22 LEU 28 18.479 -3.377 -1.803
219 HD23 LEU 28 HD23 LEU 28 16.743 -3.677 -1.889
220 H LEU 29 H LEU 29 16.810 -2.104 2.444
221 HA LEU 29 HA LEU 29 17.247 -0.220 3.785
222 HB2 LEU 29 HB2 LEU 29 17.972 -2.559 5.256
223 HB3 LEU 29 HB3 LEU 29 19.189 -1.326 5.588
224 HG LEU 29 HG LEU 29 17.197 0.279 5.947
225 HD11 LEU 29 HD11 LEU 29 15.650 -1.600 4.930
226 HD12 LEU 29 HD12 LEU 29 15.059 -0.590 6.249
227 HD13 LEU 29 HD13 LEU 29 15.656 -2.215 6.583
228 HD21 LEU 29 HD21 LEU 29 18.544 -0.459 7.814
229 HD22 LEU 29 HD22 LEU 29 17.768 -2.044 7.809
230 HD23 LEU 29 HD23 LEU 29 16.852 -0.615 8.285
231 HA PRO 30 HA PRO 30 20.981 1.461 2.176
232 HB2 PRO 30 HB2 PRO 30 21.373 3.593 3.843
233 HB3 PRO 30 HB3 PRO 30 20.093 3.548 2.614
234 HG2 PRO 30 HG2 PRO 30 19.917 3.125 5.545
235 HG3 PRO 30 HG3 PRO 30 18.767 3.893 4.443
236 HD2 PRO 30 HD2 PRO 30 18.516 1.337 5.431
237 HD3 PRO 30 HD3 PRO 30 17.748 1.921 3.940
238 H ARG 31 H ARG 31 23.280 2.143 2.900
239 HA ARG 31 HA ARG 31 24.151 0.903 5.462
240 HB2 ARG 31 HB2 ARG 31 24.574 -0.098 2.702
241 HB3 ARG 31 HB3 ARG 31 26.012 -0.089 3.722
242 HG2 ARG 31 HG2 ARG 31 23.358 -1.321 4.525
243 HG3 ARG 31 HG3 ARG 31 24.715 -2.231 3.863
244 HD2 ARG 31 HD2 ARG 31 24.887 -0.532 6.381
245 HD3 ARG 31 HD3 ARG 31 24.652 -2.291 6.374
246 HE ARG 31 HE ARG 31 27.101 -0.877 5.450
247 HH11 ARG 31 HH11 ARG 31 27.381 -2.878 7.565
248 HH12 ARG 31 HH12 ARG 31 27.825 -4.316 6.708
249 HH21 ARG 31 HH21 ARG 31 26.772 -3.113 3.620
250 HH22 ARG 31 HH22 ARG 31 27.479 -4.450 4.465
Start of MODEL 23
1 HA ASP 1 HA ASP 1 -31.559 1.834 4.791
2 HB2 ASP 1 HB2 ASP 1 -34.024 1.972 4.707
3 HB3 ASP 1 HB3 ASP 1 -34.123 0.218 4.553
4 H THR 2 H THR 2 -30.778 0.381 6.472
5 HA THR 2 HA THR 2 -29.661 -1.523 7.285
6 HB THR 2 HB THR 2 -31.626 -2.857 5.388
7 HG1 THR 2 HG1 THR 2 -32.744 -1.745 6.912
8 HG21 THR 2 HG21 THR 2 -29.859 -3.926 7.593
9 HG22 THR 2 HG22 THR 2 -29.985 -4.491 5.927
10 HG23 THR 2 HG23 THR 2 -31.308 -4.777 7.057
11 H GLU 3 H GLU 3 -27.570 -1.305 6.511
12 HA GLU 3 HA GLU 3 -25.663 -1.709 5.188
13 HB2 GLU 3 HB2 GLU 3 -27.567 -3.964 4.620
14 HB3 GLU 3 HB3 GLU 3 -26.064 -3.864 3.706
15 HG2 GLU 3 HG2 GLU 3 -24.774 -3.817 5.799
16 HG3 GLU 3 HG3 GLU 3 -26.270 -3.879 6.732
17 H ILE 4 H ILE 4 -25.859 0.269 3.949
18 HA ILE 4 HA ILE 4 -27.019 -0.098 1.202
19 HB ILE 4 HB ILE 4 -26.642 2.428 2.853
20 HG12 ILE 4 HG12 ILE 4 -29.364 1.990 2.387
21 HG13 ILE 4 HG13 ILE 4 -28.740 0.394 2.806
22 HG21 ILE 4 HG21 ILE 4 -28.349 3.227 1.042
23 HG22 ILE 4 HG22 ILE 4 -27.748 1.854 0.112
24 HG23 ILE 4 HG23 ILE 4 -26.641 3.130 0.614
25 HD11 ILE 4 HD11 ILE 4 -29.467 2.253 4.655
26 HD12 ILE 4 HD12 ILE 4 -27.750 2.623 4.488
27 HD13 ILE 4 HD13 ILE 4 -28.261 1.000 4.954
28 H ILE 5 H ILE 5 -24.638 2.116 2.757
29 HA ILE 5 HA ILE 5 -22.675 1.358 0.620
30 HB ILE 5 HB ILE 5 -22.124 3.843 0.556
31 HG12 ILE 5 HG12 ILE 5 -24.851 4.263 1.767
32 HG13 ILE 5 HG13 ILE 5 -23.429 4.164 2.806
33 HG21 ILE 5 HG21 ILE 5 -24.079 4.392 -0.873
34 HG22 ILE 5 HG22 ILE 5 -24.915 2.971 -0.248
35 HG23 ILE 5 HG23 ILE 5 -23.449 2.780 -1.209
36 HD11 ILE 5 HD11 ILE 5 -22.360 5.953 1.394
37 HD12 ILE 5 HD12 ILE 5 -23.796 6.495 2.264
38 HD13 ILE 5 HD13 ILE 5 -23.896 6.125 0.544
39 H GLY 6 H GLY 6 -22.841 0.593 3.502
40 HA2 GLY 6 HA2 GLY 6 -20.232 1.765 4.381
41 HA3 GLY 6 HA3 GLY 6 -21.541 1.484 5.528
42 H GLY 7 H GLY 7 -20.613 -0.661 2.851
43 HA2 GLY 7 HA2 GLY 7 -20.342 -2.876 4.783
44 HA3 GLY 7 HA3 GLY 7 -20.366 -3.032 3.026
45 H LEU 8 H LEU 8 -18.358 -1.386 2.194
46 HA LEU 8 HA LEU 8 -16.020 -1.300 1.907
47 HB2 LEU 8 HB2 LEU 8 -16.589 -0.484 4.390
48 HB3 LEU 8 HB3 LEU 8 -15.680 -1.935 4.813
49 HG LEU 8 HG LEU 8 -14.019 -0.928 2.947
50 HD11 LEU 8 HD11 LEU 8 -15.276 1.503 4.259
51 HD12 LEU 8 HD12 LEU 8 -15.511 1.039 2.574
52 HD13 LEU 8 HD13 LEU 8 -13.909 1.505 3.144
53 HD21 LEU 8 HD21 LEU 8 -13.335 -1.514 5.203
54 HD22 LEU 8 HD22 LEU 8 -14.207 -0.134 5.870
55 HD23 LEU 8 HD23 LEU 8 -12.778 0.125 4.868
56 H THR 9 H THR 9 -17.422 -3.935 1.702
57 HA THR 9 HA THR 9 -15.464 -5.883 2.776
58 HB THR 9 HB THR 9 -17.827 -6.435 0.972
59 HG1 THR 9 HG1 THR 9 -17.843 -5.931 3.766
60 HG21 THR 9 HG21 THR 9 -17.861 -8.553 2.055
61 HG22 THR 9 HG22 THR 9 -16.804 -7.991 3.350
62 HG23 THR 9 HG23 THR 9 -16.160 -8.225 1.725
63 H ILE 10 H ILE 10 -13.892 -4.550 1.214
64 HA ILE 10 HA ILE 10 -13.998 -5.680 -1.556
65 HB ILE 10 HB ILE 10 -12.499 -3.820 -2.104
66 HG12 ILE 10 HG12 ILE 10 -12.425 -2.239 0.206
67 HG13 ILE 10 HG13 ILE 10 -12.051 -3.863 0.782
68 HG21 ILE 10 HG21 ILE 10 -14.082 -2.131 -1.953
69 HG22 ILE 10 HG22 ILE 10 -14.504 -2.532 -0.287
70 HG23 ILE 10 HG23 ILE 10 -15.087 -3.541 -1.612
71 HD11 ILE 10 HD11 ILE 10 -10.003 -2.655 0.088
72 HD12 ILE 10 HD12 ILE 10 -10.674 -2.467 -1.533
73 HD13 ILE 10 HD13 ILE 10 -10.286 -4.075 -0.921
74 HA PRO 11 HA PRO 11 -10.508 -8.231 -0.737
75 HB2 PRO 11 HB2 PRO 11 -9.215 -8.199 -3.148
76 HB3 PRO 11 HB3 PRO 11 -10.742 -9.064 -2.880
77 HG2 PRO 11 HG2 PRO 11 -10.259 -6.440 -4.189
78 HG3 PRO 11 HG3 PRO 11 -11.423 -7.709 -4.596
79 HD2 PRO 11 HD2 PRO 11 -12.063 -5.406 -3.254
80 HD3 PRO 11 HD3 PRO 11 -12.983 -6.920 -3.132
81 HA PRO 12 HA PRO 12 -7.477 -5.008 0.149
82 HB2 PRO 12 HB2 PRO 12 -6.372 -6.255 2.313
83 HB3 PRO 12 HB3 PRO 12 -7.896 -5.350 2.390
84 HG2 PRO 12 HG2 PRO 12 -7.436 -8.263 2.391
85 HG3 PRO 12 HG3 PRO 12 -8.753 -7.325 3.104
86 HD2 PRO 12 HD2 PRO 12 -8.844 -8.779 0.703
87 HD3 PRO 12 HD3 PRO 12 -10.048 -7.608 1.277
88 H VAL 13 H VAL 13 -6.626 -6.037 -2.000
89 HA VAL 13 HA VAL 13 -4.257 -7.794 -1.492
90 HB VAL 13 HB VAL 13 -4.412 -8.261 -3.925
91 HG11 VAL 13 HG11 VAL 13 -7.096 -8.518 -2.540
92 HG12 VAL 13 HG12 VAL 13 -5.721 -9.587 -2.261
93 HG13 VAL 13 HG13 VAL 13 -6.486 -9.530 -3.849
94 HG21 VAL 13 HG21 VAL 13 -6.395 -7.415 -5.178
95 HG22 VAL 13 HG22 VAL 13 -5.303 -6.116 -4.703
96 HG23 VAL 13 HG23 VAL 13 -6.797 -6.382 -3.807
97 H VAL 14 H VAL 14 -5.219 -4.761 -3.135
98 HA VAL 14 HA VAL 14 -2.523 -4.106 -3.994
99 HB VAL 14 HB VAL 14 -4.671 -3.299 -5.020
100 HG11 VAL 14 HG11 VAL 14 -5.788 -2.873 -2.778
101 HG12 VAL 14 HG12 VAL 14 -5.974 -1.581 -3.963
102 HG13 VAL 14 HG13 VAL 14 -4.805 -1.414 -2.653
103 HG21 VAL 14 HG21 VAL 14 -2.806 -1.131 -4.004
104 HG22 VAL 14 HG22 VAL 14 -3.897 -0.978 -5.381
105 HG23 VAL 14 HG23 VAL 14 -2.552 -2.117 -5.445
106 H ALA 15 H ALA 15 -4.490 -3.341 -1.133
107 HA ALA 15 HA ALA 15 -2.653 -1.396 -0.006
108 HB1 ALA 15 HB1 ALA 15 -4.735 -3.165 1.324
109 HB2 ALA 15 HB2 ALA 15 -5.101 -1.648 0.503
110 HB3 ALA 15 HB3 ALA 15 -4.096 -1.647 1.954
111 H LEU 16 H LEU 16 -3.096 -4.914 0.325
112 HA LEU 16 HA LEU 16 -1.203 -5.290 2.477
113 HB2 LEU 16 HB2 LEU 16 -3.104 -6.799 1.508
114 HB3 LEU 16 HB3 LEU 16 -1.879 -7.323 0.352
115 HG LEU 16 HG LEU 16 -0.386 -7.719 2.445
116 HD11 LEU 16 HD11 LEU 16 -1.831 -8.369 4.441
117 HD12 LEU 16 HD12 LEU 16 -3.157 -7.514 3.651
118 HD13 LEU 16 HD13 LEU 16 -1.704 -6.638 4.132
119 HD21 LEU 16 HD21 LEU 16 -1.487 -9.463 0.952
120 HD22 LEU 16 HD22 LEU 16 -2.810 -9.510 2.118
121 HD23 LEU 16 HD23 LEU 16 -1.183 -9.982 2.611
122 H VAL 17 H VAL 17 -0.920 -5.385 -1.087
123 HA VAL 17 HA VAL 17 1.773 -6.349 -1.246
124 HB VAL 17 HB VAL 17 0.006 -4.613 -2.991
125 HG11 VAL 17 HG11 VAL 17 2.844 -5.544 -3.467
126 HG12 VAL 17 HG12 VAL 17 2.184 -3.919 -3.651
127 HG13 VAL 17 HG13 VAL 17 1.747 -5.183 -4.800
128 HG21 VAL 17 HG21 VAL 17 -0.384 -6.592 -4.202
129 HG22 VAL 17 HG22 VAL 17 -0.322 -7.167 -2.536
130 HG23 VAL 17 HG23 VAL 17 1.077 -7.367 -3.590
131 H VAL 18 H VAL 18 0.448 -3.068 -0.817
132 HA VAL 18 HA VAL 18 2.997 -1.690 -1.040
133 HB VAL 18 HB VAL 18 0.360 -0.932 0.274
134 HG11 VAL 18 HG11 VAL 18 1.131 1.385 -0.000
135 HG12 VAL 18 HG12 VAL 18 2.647 0.813 -0.696
136 HG13 VAL 18 HG13 VAL 18 2.271 0.480 0.995
137 HG21 VAL 18 HG21 VAL 18 -0.446 -0.467 -1.795
138 HG22 VAL 18 HG22 VAL 18 0.875 -1.462 -2.404
139 HG23 VAL 18 HG23 VAL 18 1.066 0.287 -2.300
140 H MET 19 H MET 19 1.148 -3.128 1.626
141 HA MET 19 HA MET 19 2.685 -2.020 3.800
142 HB2 MET 19 HB2 MET 19 0.900 -4.430 3.409
143 HB3 MET 19 HB3 MET 19 1.636 -4.073 4.969
144 HG2 MET 19 HG2 MET 19 0.090 -1.960 3.476
145 HG3 MET 19 HG3 MET 19 -0.740 -3.133 4.497
146 HE1 MET 19 HE1 MET 19 0.057 -0.078 4.081
147 HE2 MET 19 HE2 MET 19 1.613 0.303 4.815
148 HE3 MET 19 HE3 MET 19 0.125 0.684 5.676
149 H SER 20 H SER 20 2.965 -5.065 1.939
150 HA SER 20 HA SER 20 5.193 -6.086 3.513
151 HB2 SER 20 HB2 SER 20 5.282 -7.710 1.560
152 HB3 SER 20 HB3 SER 20 3.720 -7.601 2.364
153 HG SER 20 HG SER 20 2.986 -7.114 0.458
154 H ARG 21 H ARG 21 4.939 -3.818 0.882
155 HA ARG 21 HA ARG 21 7.385 -4.121 -0.488
156 HB2 ARG 21 HB2 ARG 21 5.392 -2.529 -0.851
157 HB3 ARG 21 HB3 ARG 21 6.172 -1.471 0.325
158 HG2 ARG 21 HG2 ARG 21 8.238 -1.492 -1.075
159 HG3 ARG 21 HG3 ARG 21 7.381 -2.462 -2.274
160 HD2 ARG 21 HD2 ARG 21 7.279 -0.119 -2.963
161 HD3 ARG 21 HD3 ARG 21 5.659 -0.609 -2.430
162 HE ARG 21 HE ARG 21 5.881 0.939 -0.665
163 HH11 ARG 21 HH11 ARG 21 8.264 2.142 -2.184
164 HH12 ARG 21 HH12 ARG 21 9.465 2.170 -0.935
165 HH21 ARG 21 HH21 ARG 21 7.725 -0.009 1.142
166 HH22 ARG 21 HH22 ARG 21 9.158 0.944 0.956
167 H PHE 22 H PHE 22 6.751 -2.450 2.612
168 HA PHE 22 HA PHE 22 9.378 -1.342 2.963
169 HB2 PHE 22 HB2 PHE 22 7.116 -0.897 4.164
170 HB3 PHE 22 HB3 PHE 22 7.543 -2.276 5.177
171 HD1 PHE 22 HD1 PHE 22 8.570 1.127 4.122
172 HD2 PHE 22 HD2 PHE 22 9.299 -2.135 6.822
173 HE1 PHE 22 HE2 PHE 22 10.052 2.580 5.478
174 HE2 PHE 22 HE1 PHE 22 10.781 -0.681 8.177
175 HZ PHE 22 HZ PHE 22 11.158 1.677 7.505
176 H GLY 23 H GLY 23 7.921 -4.387 4.190
177 HA2 GLY 23 HA2 GLY 23 10.286 -5.316 5.525
178 HA3 GLY 23 HA3 GLY 23 8.932 -6.334 5.031
179 H PHE 24 H PHE 24 8.959 -5.998 2.276
180 HA PHE 24 HA PHE 24 10.978 -7.814 1.397
181 HB2 PHE 24 HB2 PHE 24 8.886 -6.056 0.239
182 HB3 PHE 24 HB3 PHE 24 10.178 -6.514 -0.868
183 HD1 PHE 24 HD1 PHE 24 7.545 -7.830 1.398
184 HD2 PHE 24 HD2 PHE 24 10.398 -8.759 -1.677
185 HE1 PHE 24 HE1 PHE 24 6.524 -10.073 1.128
186 HE2 PHE 24 HE2 PHE 24 9.376 -11.002 -1.946
187 HZ PHE 24 HZ PHE 24 7.439 -11.659 -0.543
188 H PHE 25 H PHE 25 10.795 -4.250 1.219
189 HA PHE 25 HA PHE 25 13.176 -3.813 -0.308
190 HB2 PHE 25 HB2 PHE 25 11.484 -2.105 0.040
191 HB3 PHE 25 HB3 PHE 25 11.706 -2.177 1.787
192 HD1 PHE 25 HD1 PHE 25 13.575 -1.470 -1.385
193 HD2 PHE 25 HD2 PHE 25 13.244 -0.750 2.838
194 HE1 PHE 25 HE2 PHE 25 15.362 0.242 -1.536
195 HE2 PHE 25 HE1 PHE 25 15.030 0.961 2.686
196 HZ PHE 25 HZ PHE 25 16.090 1.457 0.499
197 H ALA 26 H ALA 26 12.647 -4.063 3.222
198 HA ALA 26 HA ALA 26 15.320 -3.439 4.049
199 HB1 ALA 26 HB1 ALA 26 14.577 -4.495 6.149
200 HB2 ALA 26 HB2 ALA 26 13.224 -5.246 5.302
201 HB3 ALA 26 HB3 ALA 26 13.290 -3.492 5.481
202 H HIS 27 H HIS 27 13.873 -6.406 2.805
203 HA HIS 27 HA HIS 27 16.233 -8.041 3.548
204 HB2 HIS 27 HB2 HIS 27 13.894 -8.853 3.789
205 HB3 HIS 27 HB3 HIS 27 13.671 -8.682 2.049
206 HD1 HIS 27 HD1 HIS 27 15.637 -10.692 4.585
207 HD2 HIS 27 HD2 HIS 27 14.751 -10.769 0.512
208 HE1 HIS 27 HE1 HIS 27 16.487 -12.912 3.708
209 H LEU 28 H LEU 28 14.725 -6.604 0.663
210 HA LEU 28 HA LEU 28 16.683 -7.916 -1.137
211 HB2 LEU 28 HB2 LEU 28 14.292 -6.087 -1.478
212 HB3 LEU 28 HB3 LEU 28 15.299 -6.583 -2.838
213 HG LEU 28 HG LEU 28 14.043 -8.577 -0.941
214 HD11 LEU 28 HD11 LEU 28 12.312 -8.896 -2.695
215 HD12 LEU 28 HD12 LEU 28 12.974 -7.520 -3.575
216 HD13 LEU 28 HD13 LEU 28 12.243 -7.281 -1.989
217 HD21 LEU 28 HD21 LEU 28 15.867 -9.497 -2.216
218 HD22 LEU 28 HD22 LEU 28 15.299 -8.724 -3.696
219 HD23 LEU 28 HD23 LEU 28 14.380 -10.051 -2.985
220 H LEU 29 H LEU 29 17.803 -6.046 0.807
221 HA LEU 29 HA LEU 29 18.838 -3.950 -1.070
222 HB2 LEU 29 HB2 LEU 29 17.155 -3.181 0.678
223 HB3 LEU 29 HB3 LEU 29 18.340 -3.629 1.903
224 HG LEU 29 HG LEU 29 19.981 -2.132 0.548
225 HD11 LEU 29 HD11 LEU 29 18.554 -0.194 -0.482
226 HD12 LEU 29 HD12 LEU 29 17.292 -1.419 -0.606
227 HD13 LEU 29 HD13 LEU 29 18.830 -1.650 -1.439
228 HD21 LEU 29 HD21 LEU 29 17.771 -0.544 1.817
229 HD22 LEU 29 HD22 LEU 29 19.517 -0.373 2.005
230 HD23 LEU 29 HD23 LEU 29 18.669 -1.699 2.801
231 HA PRO 30 HA PRO 30 22.585 -6.036 0.254
232 HB2 PRO 30 HB2 PRO 30 24.274 -4.659 -1.402
233 HB3 PRO 30 HB3 PRO 30 23.253 -6.001 -1.958
234 HG2 PRO 30 HG2 PRO 30 22.850 -3.069 -2.250
235 HG3 PRO 30 HG3 PRO 30 22.495 -4.378 -3.388
236 HD2 PRO 30 HD2 PRO 30 20.602 -3.139 -1.851
237 HD3 PRO 30 HD3 PRO 30 20.451 -4.802 -2.461
238 H ARG 31 H ARG 31 24.725 -5.247 1.168
239 HA ARG 31 HA ARG 31 24.296 -2.768 2.765
240 HB2 ARG 31 HB2 ARG 31 24.998 -5.244 3.502
241 HB3 ARG 31 HB3 ARG 31 26.609 -4.632 3.129
242 HG2 ARG 31 HG2 ARG 31 26.585 -3.777 5.227
243 HG3 ARG 31 HG3 ARG 31 25.501 -2.549 4.568
244 HD2 ARG 31 HD2 ARG 31 23.554 -4.035 5.130
245 HD3 ARG 31 HD3 ARG 31 24.687 -5.142 5.927
246 HE ARG 31 HE ARG 31 25.174 -3.415 7.562
247 HH11 ARG 31 HH11 ARG 31 22.070 -3.380 7.024
248 HH12 ARG 31 HH12 ARG 31 21.786 -1.674 7.092
249 HH21 ARG 31 HH21 ARG 31 25.156 -0.843 6.870
250 HH22 ARG 31 HH22 ARG 31 23.543 -0.231 7.012
Start of MODEL 24
1 HA ASP 1 HA ASP 1 -11.572 6.710 -1.654
2 HB2 ASP 1 HB2 ASP 1 -11.578 4.900 -3.395
3 HB3 ASP 1 HB3 ASP 1 -12.542 3.905 -2.302
4 H THR 2 H THR 2 -12.915 7.528 -0.103
5 HA THR 2 HA THR 2 -14.777 5.836 1.386
6 HB THR 2 HB THR 2 -12.768 5.364 2.648
7 HG1 THR 2 HG1 THR 2 -14.574 5.812 3.924
8 HG21 THR 2 HG21 THR 2 -11.906 7.806 3.710
9 HG22 THR 2 HG22 THR 2 -12.149 8.131 1.993
10 HG23 THR 2 HG23 THR 2 -11.066 6.835 2.500
11 H GLU 3 H GLU 3 -16.356 7.309 0.593
12 HA GLU 3 HA GLU 3 -16.093 10.175 1.398
13 HB2 GLU 3 HB2 GLU 3 -17.732 8.623 -0.617
14 HB3 GLU 3 HB3 GLU 3 -18.106 10.301 -0.224
15 HG2 GLU 3 HG2 GLU 3 -16.662 10.529 -2.057
16 HG3 GLU 3 HG3 GLU 3 -15.566 10.719 -0.689
17 H ILE 4 H ILE 4 -16.558 8.893 3.648
18 HA ILE 4 HA ILE 4 -19.338 9.554 4.352
19 HB ILE 4 HB ILE 4 -19.386 7.247 3.357
20 HG12 ILE 4 HG12 ILE 4 -19.889 7.046 6.327
21 HG13 ILE 4 HG13 ILE 4 -20.877 8.093 5.309
22 HG21 ILE 4 HG21 ILE 4 -17.164 6.481 3.998
23 HG22 ILE 4 HG22 ILE 4 -18.366 5.409 4.717
24 HG23 ILE 4 HG23 ILE 4 -17.568 6.630 5.708
25 HD11 ILE 4 HD11 ILE 4 -21.731 5.695 5.669
26 HD12 ILE 4 HD12 ILE 4 -20.409 5.190 4.617
27 HD13 ILE 4 HD13 ILE 4 -21.661 6.270 4.004
28 H ILE 5 H ILE 5 -19.652 9.357 6.753
29 HA ILE 5 HA ILE 5 -17.306 10.244 8.217
30 HB ILE 5 HB ILE 5 -19.752 10.934 8.481
31 HG12 ILE 5 HG12 ILE 5 -17.760 11.196 10.183
32 HG13 ILE 5 HG13 ILE 5 -19.403 11.571 10.694
33 HG21 ILE 5 HG21 ILE 5 -19.884 8.300 9.980
34 HG22 ILE 5 HG22 ILE 5 -20.728 8.676 8.480
35 HG23 ILE 5 HG23 ILE 5 -21.143 9.535 9.962
36 HD11 ILE 5 HD11 ILE 5 -18.613 8.740 11.041
37 HD12 ILE 5 HD12 ILE 5 -19.491 9.807 12.135
38 HD13 ILE 5 HD13 ILE 5 -17.732 9.888 12.048
39 H GLY 6 H GLY 6 -16.153 9.101 9.809
40 HA2 GLY 6 HA2 GLY 6 -16.064 7.114 11.342
41 HA3 GLY 6 HA3 GLY 6 -16.727 6.169 10.009
42 H GLY 7 H GLY 7 -15.249 6.774 7.858
43 HA2 GLY 7 HA2 GLY 7 -13.156 6.495 6.826
44 HA3 GLY 7 HA3 GLY 7 -12.416 7.046 8.330
45 H LEU 8 H LEU 8 -14.335 4.180 7.333
46 HA LEU 8 HA LEU 8 -12.199 2.462 8.549
47 HB2 LEU 8 HB2 LEU 8 -14.030 1.068 9.449
48 HB3 LEU 8 HB3 LEU 8 -14.170 2.728 10.025
49 HG LEU 8 HG LEU 8 -15.573 2.256 7.482
50 HD11 LEU 8 HD11 LEU 8 -16.374 0.759 9.992
51 HD12 LEU 8 HD12 LEU 8 -16.027 0.073 8.404
52 HD13 LEU 8 HD13 LEU 8 -17.470 1.057 8.643
53 HD21 LEU 8 HD21 LEU 8 -17.077 3.769 8.393
54 HD22 LEU 8 HD22 LEU 8 -15.632 4.191 9.312
55 HD23 LEU 8 HD23 LEU 8 -16.863 3.155 10.033
56 H THR 9 H THR 9 -13.312 3.262 5.653
57 HA THR 9 HA THR 9 -13.474 0.441 4.647
58 HB THR 9 HB THR 9 -14.597 3.006 3.469
59 HG1 THR 9 HG1 THR 9 -16.605 1.936 4.101
60 HG21 THR 9 HG21 THR 9 -15.798 1.498 1.946
61 HG22 THR 9 HG22 THR 9 -15.038 0.102 2.709
62 HG23 THR 9 HG23 THR 9 -14.058 1.253 1.801
63 H ILE 10 H ILE 10 -11.120 0.404 4.522
64 HA ILE 10 HA ILE 10 -9.917 2.208 2.458
65 HB ILE 10 HB ILE 10 -7.774 1.502 3.505
66 HG12 ILE 10 HG12 ILE 10 -8.831 0.283 5.891
67 HG13 ILE 10 HG13 ILE 10 -9.379 -0.635 4.488
68 HG21 ILE 10 HG21 ILE 10 -9.959 2.546 5.314
69 HG22 ILE 10 HG22 ILE 10 -8.729 3.467 4.449
70 HG23 ILE 10 HG23 ILE 10 -8.273 2.461 5.824
71 HD11 ILE 10 HD11 ILE 10 -6.540 0.004 5.302
72 HD12 ILE 10 HD12 ILE 10 -6.945 -0.537 3.674
73 HD13 ILE 10 HD13 ILE 10 -7.271 -1.581 5.058
74 HA PRO 11 HA PRO 11 -9.496 -1.144 -0.352
75 HB2 PRO 11 HB2 PRO 11 -7.121 -0.544 -1.576
76 HB3 PRO 11 HB3 PRO 11 -8.620 0.360 -1.870
77 HG2 PRO 11 HG2 PRO 11 -6.302 1.055 -0.139
78 HG3 PRO 11 HG3 PRO 11 -7.294 2.097 -1.170
79 HD2 PRO 11 HD2 PRO 11 -7.580 1.942 1.536
80 HD3 PRO 11 HD3 PRO 11 -8.905 2.367 0.429
81 HA PRO 12 HA PRO 12 -6.855 -3.805 2.158
82 HB2 PRO 12 HB2 PRO 12 -8.057 -6.148 1.424
83 HB3 PRO 12 HB3 PRO 12 -8.733 -5.056 2.648
84 HG2 PRO 12 HG2 PRO 12 -9.532 -5.455 -0.179
85 HG3 PRO 12 HG3 PRO 12 -10.523 -5.069 1.234
86 HD2 PRO 12 HD2 PRO 12 -9.725 -3.251 -0.690
87 HD3 PRO 12 HD3 PRO 12 -10.256 -2.833 0.952
88 H VAL 13 H VAL 13 -7.659 -4.337 -1.280
89 HA VAL 13 HA VAL 13 -5.670 -6.267 -1.922
90 HB VAL 13 HB VAL 13 -6.951 -4.031 -3.530
91 HG11 VAL 13 HG11 VAL 13 -4.980 -4.708 -4.735
92 HG12 VAL 13 HG12 VAL 13 -6.348 -5.521 -5.496
93 HG13 VAL 13 HG13 VAL 13 -5.290 -6.412 -4.401
94 HG21 VAL 13 HG21 VAL 13 -7.588 -6.962 -3.091
95 HG22 VAL 13 HG22 VAL 13 -8.307 -6.010 -4.389
96 HG23 VAL 13 HG23 VAL 13 -8.605 -5.572 -2.707
97 H VAL 14 H VAL 14 -5.484 -2.685 -2.259
98 HA VAL 14 HA VAL 14 -2.769 -2.598 -3.143
99 HB VAL 14 HB VAL 14 -4.554 -0.793 -3.212
100 HG11 VAL 14 HG11 VAL 14 -3.669 -0.348 -0.344
101 HG12 VAL 14 HG12 VAL 14 -5.237 -0.994 -0.827
102 HG13 VAL 14 HG13 VAL 14 -4.793 0.657 -1.259
103 HG21 VAL 14 HG21 VAL 14 -2.166 -0.345 -3.708
104 HG22 VAL 14 HG22 VAL 14 -1.887 -0.007 -2.000
105 HG23 VAL 14 HG23 VAL 14 -2.945 1.040 -2.946
106 H ALA 15 H ALA 15 -4.150 -2.698 0.137
107 HA ALA 15 HA ALA 15 -1.676 -2.139 1.541
108 HB1 ALA 15 HB1 ALA 15 -4.359 -3.359 2.201
109 HB2 ALA 15 HB2 ALA 15 -3.696 -1.810 2.725
110 HB3 ALA 15 HB3 ALA 15 -3.074 -3.313 3.409
111 H LEU 16 H LEU 16 -3.321 -5.128 0.507
112 HA LEU 16 HA LEU 16 -1.595 -7.024 1.779
113 HB2 LEU 16 HB2 LEU 16 -3.846 -7.405 0.721
114 HB3 LEU 16 HB3 LEU 16 -3.087 -7.225 -0.860
115 HG LEU 16 HG LEU 16 -1.668 -9.127 0.860
116 HD11 LEU 16 HD11 LEU 16 -4.005 -9.498 1.655
117 HD12 LEU 16 HD12 LEU 16 -3.363 -10.887 0.779
118 HD13 LEU 16 HD13 LEU 16 -4.498 -9.792 -0.013
119 HD21 LEU 16 HD21 LEU 16 -1.317 -8.829 -1.583
120 HD22 LEU 16 HD22 LEU 16 -2.973 -9.365 -1.873
121 HD23 LEU 16 HD23 LEU 16 -1.791 -10.482 -1.189
122 H VAL 17 H VAL 17 -1.374 -5.327 -1.344
123 HA VAL 17 HA VAL 17 0.909 -6.801 -2.350
124 HB VAL 17 HB VAL 17 -0.263 -4.064 -2.963
125 HG11 VAL 17 HG11 VAL 17 1.871 -5.698 -4.350
126 HG12 VAL 17 HG12 VAL 17 1.962 -4.019 -3.817
127 HG13 VAL 17 HG13 VAL 17 0.947 -4.453 -5.191
128 HG21 VAL 17 HG21 VAL 17 -0.534 -6.251 -4.911
129 HG22 VAL 17 HG22 VAL 17 -1.757 -5.138 -4.294
130 HG23 VAL 17 HG23 VAL 17 -1.334 -6.583 -3.375
131 H VAL 18 H VAL 18 0.535 -3.722 -0.573
132 HA VAL 18 HA VAL 18 3.293 -2.927 -0.607
133 HB VAL 18 HB VAL 18 1.023 -2.424 1.354
134 HG11 VAL 18 HG11 VAL 18 2.413 -0.326 1.852
135 HG12 VAL 18 HG12 VAL 18 3.754 -1.156 1.061
136 HG13 VAL 18 HG13 VAL 18 3.026 -1.842 2.513
137 HG21 VAL 18 HG21 VAL 18 0.318 -0.779 -0.059
138 HG22 VAL 18 HG22 VAL 18 1.206 -1.688 -1.281
139 HG23 VAL 18 HG23 VAL 18 1.963 -0.307 -0.485
140 H MET 19 H MET 19 1.499 -5.197 1.421
141 HA MET 19 HA MET 19 3.304 -5.452 3.614
142 HB2 MET 19 HB2 MET 19 0.902 -6.539 2.752
143 HB3 MET 19 HB3 MET 19 1.995 -7.923 2.694
144 HG2 MET 19 HG2 MET 19 2.457 -7.820 4.986
145 HG3 MET 19 HG3 MET 19 1.985 -6.125 5.105
146 HE1 MET 19 HE1 MET 19 -0.755 -7.097 7.321
147 HE2 MET 19 HE2 MET 19 -0.268 -5.628 6.479
148 HE3 MET 19 HE3 MET 19 0.959 -6.687 7.168
149 H SER 20 H SER 20 3.208 -7.163 0.469
150 HA SER 20 HA SER 20 5.708 -8.624 1.119
151 HB2 SER 20 HB2 SER 20 3.626 -8.643 -1.059
152 HB3 SER 20 HB3 SER 20 5.170 -9.455 -1.311
153 HG SER 20 HG SER 20 3.174 -10.521 -0.185
154 H ARG 21 H ARG 21 5.957 -5.747 0.934
155 HA ARG 21 HA ARG 21 7.919 -5.570 -1.292
156 HB2 ARG 21 HB2 ARG 21 5.476 -4.764 -1.846
157 HB3 ARG 21 HB3 ARG 21 5.918 -3.357 -0.879
158 HG2 ARG 21 HG2 ARG 21 8.118 -3.504 -2.422
159 HG3 ARG 21 HG3 ARG 21 6.958 -4.238 -3.529
160 HD2 ARG 21 HD2 ARG 21 6.700 -1.977 -4.069
161 HD3 ARG 21 HD3 ARG 21 5.465 -2.146 -2.807
162 HE ARG 21 HE ARG 21 6.887 -0.964 -1.295
163 HH11 ARG 21 HH11 ARG 21 7.693 0.244 -4.091
164 HH12 ARG 21 HH12 ARG 21 9.407 0.357 -3.870
165 HH21 ARG 21 HH21 ARG 21 9.442 -1.689 -1.058
166 HH22 ARG 21 HH22 ARG 21 10.402 -0.741 -2.145
167 H PHE 22 H PHE 22 6.425 -3.898 1.513
168 HA PHE 22 HA PHE 22 8.466 -1.946 1.928
169 HB2 PHE 22 HB2 PHE 22 6.092 -2.968 3.201
170 HB3 PHE 22 HB3 PHE 22 7.349 -2.754 4.420
171 HD1 PHE 22 HD1 PHE 22 5.605 -1.016 1.610
172 HD2 PHE 22 HD2 PHE 22 7.931 -0.598 5.196
173 HE1 PHE 22 HE1 PHE 22 5.236 1.436 1.563
174 HE2 PHE 22 HE2 PHE 22 7.563 1.854 5.150
175 HZ PHE 22 HZ PHE 22 6.215 2.871 3.334
176 H GLY 23 H GLY 23 8.095 -5.219 3.364
177 HA2 GLY 23 HA2 GLY 23 10.473 -5.090 4.971
178 HA3 GLY 23 HA3 GLY 23 9.649 -6.574 4.490
179 H PHE 24 H PHE 24 9.896 -5.998 1.605
180 HA PHE 24 HA PHE 24 12.440 -7.244 1.086
181 HB2 PHE 24 HB2 PHE 24 10.046 -6.395 -0.305
182 HB3 PHE 24 HB3 PHE 24 11.471 -5.972 -1.250
183 HD1 PHE 24 HD1 PHE 24 13.158 -7.747 -1.828
184 HD2 PHE 24 HD2 PHE 24 9.366 -8.673 -0.032
185 HE1 PHE 24 HE1 PHE 24 13.412 -10.118 -2.512
186 HE2 PHE 24 HE2 PHE 24 9.621 -11.043 -0.716
187 HZ PHE 24 HZ PHE 24 11.644 -11.765 -1.955
188 H PHE 25 H PHE 25 11.381 -3.862 1.121
189 HA PHE 25 HA PHE 25 13.988 -2.961 0.004
190 HB2 PHE 25 HB2 PHE 25 11.333 -2.144 -0.206
191 HB3 PHE 25 HB3 PHE 25 12.055 -0.934 0.854
192 HD1 PHE 25 HD1 PHE 25 12.488 -2.668 -2.425
193 HD2 PHE 25 HD2 PHE 25 13.502 0.734 -0.005
194 HE1 PHE 25 HE1 PHE 25 13.575 -1.598 -4.382
195 HE2 PHE 25 HE2 PHE 25 14.589 1.802 -1.961
196 HZ PHE 25 HZ PHE 25 14.625 0.636 -4.148
197 H ALA 26 H ALA 26 12.350 -3.245 3.084
198 HA ALA 26 HA ALA 26 14.220 -1.330 4.391
199 HB1 ALA 26 HB1 ALA 26 11.781 -1.249 4.831
200 HB2 ALA 26 HB2 ALA 26 12.682 -1.632 6.297
201 HB3 ALA 26 HB3 ALA 26 11.840 -2.910 5.421
202 H HIS 27 H HIS 27 13.457 -4.796 4.262
203 HA HIS 27 HA HIS 27 15.463 -5.382 6.380
204 HB2 HIS 27 HB2 HIS 27 13.004 -6.363 5.889
205 HB3 HIS 27 HB3 HIS 27 13.949 -7.500 4.927
206 HD1 HIS 27 HD1 HIS 27 16.184 -8.437 6.370
207 HD2 HIS 27 HD2 HIS 27 12.846 -7.159 8.518
208 HE1 HIS 27 HE1 HIS 27 16.381 -9.462 8.679
209 H LEU 28 H LEU 28 15.179 -5.424 2.893
210 HA LEU 28 HA LEU 28 17.600 -7.177 2.683
211 HB2 LEU 28 HB2 LEU 28 15.103 -6.958 1.304
212 HB3 LEU 28 HB3 LEU 28 16.385 -6.569 0.161
213 HG LEU 28 HG LEU 28 16.789 -8.931 1.947
214 HD11 LEU 28 HD11 LEU 28 15.007 -8.953 -0.510
215 HD12 LEU 28 HD12 LEU 28 14.464 -9.195 1.150
216 HD13 LEU 28 HD13 LEU 28 15.533 -10.374 0.391
217 HD21 LEU 28 HD21 LEU 28 17.934 -9.772 -0.064
218 HD22 LEU 28 HD22 LEU 28 18.518 -8.158 0.340
219 HD23 LEU 28 HD23 LEU 28 17.372 -8.374 -0.982
220 H LEU 29 H LEU 29 18.154 -4.608 3.556
221 HA LEU 29 HA LEU 29 19.372 -3.332 1.128
222 HB2 LEU 29 HB2 LEU 29 17.358 -2.136 1.994
223 HB3 LEU 29 HB3 LEU 29 18.148 -1.987 3.562
224 HG LEU 29 HG LEU 29 20.092 -0.976 1.955
225 HD11 LEU 29 HD11 LEU 29 18.289 -1.278 0.063
226 HD12 LEU 29 HD12 LEU 29 19.252 0.198 0.120
227 HD13 LEU 29 HD13 LEU 29 17.604 0.196 0.746
228 HD21 LEU 29 HD21 LEU 29 19.004 1.300 2.536
229 HD22 LEU 29 HD22 LEU 29 19.399 0.226 3.877
230 HD23 LEU 29 HD23 LEU 29 17.735 0.347 3.305
231 HA PRO 30 HA PRO 30 23.033 -3.857 3.614
232 HB2 PRO 30 HB2 PRO 30 24.742 -2.416 2.030
233 HB3 PRO 30 HB3 PRO 30 24.203 -4.058 1.626
234 HG2 PRO 30 HG2 PRO 30 23.252 -1.442 0.574
235 HG3 PRO 30 HG3 PRO 30 23.491 -2.980 -0.270
236 HD2 PRO 30 HD2 PRO 30 21.048 -2.054 0.517
237 HD3 PRO 30 HD3 PRO 30 21.434 -3.779 0.332
238 H ARG 31 H ARG 31 22.674 -2.636 5.491
239 HA ARG 31 HA ARG 31 23.536 0.221 5.410
240 HB2 ARG 31 HB2 ARG 31 21.516 0.779 6.791
241 HB3 ARG 31 HB3 ARG 31 21.110 0.222 5.170
242 HG2 ARG 31 HG2 ARG 31 20.044 -1.617 5.953
243 HG3 ARG 31 HG3 ARG 31 21.327 -1.971 7.108
244 HD2 ARG 31 HD2 ARG 31 19.485 -1.455 8.503
245 HD3 ARG 31 HD3 ARG 31 20.357 0.089 8.424
246 HE ARG 31 HE ARG 31 18.158 -0.503 6.481
247 HH11 ARG 31 HH11 ARG 31 19.794 2.094 6.612
248 HH12 ARG 31 HH12 ARG 31 18.677 3.143 7.418
249 HH21 ARG 31 HH21 ARG 31 16.635 0.546 8.511
250 HH22 ARG 31 HH22 ARG 31 16.876 2.261 8.495
Start of MODEL 25
1 HA ASP 1 HA ASP 1 -26.331 -9.044 -18.413
2 HB2 ASP 1 HB2 ASP 1 -26.908 -7.387 -20.220
3 HB3 ASP 1 HB3 ASP 1 -27.033 -6.144 -18.976
4 H THR 2 H THR 2 -25.297 -9.110 -16.454
5 HA THR 2 HA THR 2 -25.849 -6.917 -14.479
6 HB THR 2 HB THR 2 -25.458 -8.884 -12.798
7 HG1 THR 2 HG1 THR 2 -24.993 -10.643 -13.852
8 HG21 THR 2 HG21 THR 2 -27.609 -7.792 -13.039
9 HG22 THR 2 HG22 THR 2 -27.865 -9.537 -12.992
10 HG23 THR 2 HG23 THR 2 -27.933 -8.678 -14.530
11 H GLU 3 H GLU 3 -23.659 -7.010 -16.379
12 HA GLU 3 HA GLU 3 -21.379 -7.084 -14.456
13 HB2 GLU 3 HB2 GLU 3 -21.768 -9.215 -15.958
14 HB3 GLU 3 HB3 GLU 3 -21.082 -8.208 -17.233
15 HG2 GLU 3 HG2 GLU 3 -19.024 -8.694 -16.458
16 HG3 GLU 3 HG3 GLU 3 -19.425 -7.856 -14.959
17 H ILE 4 H ILE 4 -20.669 -4.989 -14.541
18 HA ILE 4 HA ILE 4 -20.416 -3.681 -17.230
19 HB ILE 4 HB ILE 4 -21.137 -2.461 -14.537
20 HG12 ILE 4 HG12 ILE 4 -23.235 -2.003 -16.268
21 HG13 ILE 4 HG13 ILE 4 -22.728 -3.625 -16.734
22 HG21 ILE 4 HG21 ILE 4 -19.968 -0.830 -15.867
23 HG22 ILE 4 HG22 ILE 4 -21.688 -0.462 -15.998
24 HG23 ILE 4 HG23 ILE 4 -20.860 -1.290 -17.318
25 HD11 ILE 4 HD11 ILE 4 -24.208 -2.809 -14.405
26 HD12 ILE 4 HD12 ILE 4 -22.688 -3.545 -13.896
27 HD13 ILE 4 HD13 ILE 4 -23.799 -4.442 -14.932
28 H ILE 5 H ILE 5 -18.621 -2.112 -17.340
29 HA ILE 5 HA ILE 5 -16.180 -3.067 -16.124
30 HB ILE 5 HB ILE 5 -16.910 -0.555 -17.670
31 HG12 ILE 5 HG12 ILE 5 -17.240 -2.714 -18.870
32 HG13 ILE 5 HG13 ILE 5 -15.948 -1.752 -19.584
33 HG21 ILE 5 HG21 ILE 5 -14.212 -1.682 -16.874
34 HG22 ILE 5 HG22 ILE 5 -14.865 -0.090 -16.488
35 HG23 ILE 5 HG23 ILE 5 -14.424 -0.483 -18.149
36 HD11 ILE 5 HD11 ILE 5 -15.189 -4.053 -19.410
37 HD12 ILE 5 HD12 ILE 5 -15.623 -4.108 -17.702
38 HD13 ILE 5 HD13 ILE 5 -14.294 -3.081 -18.242
39 H GLY 6 H GLY 6 -15.574 -2.647 -14.050
40 HA2 GLY 6 HA2 GLY 6 -14.855 -0.601 -12.633
41 HA3 GLY 6 HA3 GLY 6 -16.556 -0.146 -12.738
42 H GLY 7 H GLY 7 -18.060 -1.210 -11.424
43 HA2 GLY 7 HA2 GLY 7 -18.782 -3.027 -9.987
44 HA3 GLY 7 HA3 GLY 7 -17.095 -3.487 -9.768
45 H LEU 8 H LEU 8 -16.183 -0.740 -9.215
46 HA LEU 8 HA LEU 8 -15.867 0.670 -7.355
47 HB2 LEU 8 HB2 LEU 8 -18.709 0.311 -7.812
48 HB3 LEU 8 HB3 LEU 8 -18.397 0.534 -6.090
49 HG LEU 8 HG LEU 8 -16.755 2.437 -7.149
50 HD11 LEU 8 HD11 LEU 8 -17.567 1.981 -9.440
51 HD12 LEU 8 HD12 LEU 8 -18.015 3.604 -8.916
52 HD13 LEU 8 HD13 LEU 8 -19.218 2.314 -8.917
53 HD21 LEU 8 HD21 LEU 8 -18.798 3.993 -6.714
54 HD22 LEU 8 HD22 LEU 8 -18.193 3.021 -5.374
55 HD23 LEU 8 HD23 LEU 8 -19.634 2.510 -6.252
56 H THR 9 H THR 9 -15.335 -2.227 -7.090
57 HA THR 9 HA THR 9 -15.540 -2.433 -4.113
58 HB THR 9 HB THR 9 -15.960 -4.944 -4.609
59 HG1 THR 9 HG1 THR 9 -15.518 -4.960 -6.786
60 HG21 THR 9 HG21 THR 9 -17.668 -3.336 -3.751
61 HG22 THR 9 HG22 THR 9 -18.358 -4.589 -4.782
62 HG23 THR 9 HG23 THR 9 -18.106 -2.965 -5.419
63 H ILE 10 H ILE 10 -13.234 -1.606 -4.543
64 HA ILE 10 HA ILE 10 -11.321 -3.413 -5.800
65 HB ILE 10 HB ILE 10 -9.674 -1.778 -4.814
66 HG12 ILE 10 HG12 ILE 10 -12.092 -0.219 -3.877
67 HG13 ILE 10 HG13 ILE 10 -11.224 -1.305 -2.793
68 HG21 ILE 10 HG21 ILE 10 -11.926 -0.232 -6.071
69 HG22 ILE 10 HG22 ILE 10 -11.101 -1.490 -6.991
70 HG23 ILE 10 HG23 ILE 10 -10.192 -0.112 -6.369
71 HD11 ILE 10 HD11 ILE 10 -9.745 0.781 -4.387
72 HD12 ILE 10 HD12 ILE 10 -9.244 -0.037 -2.907
73 HD13 ILE 10 HD13 ILE 10 -10.508 1.192 -2.851
74 HA PRO 11 HA PRO 11 -10.773 -6.017 -2.260
75 HB2 PRO 11 HB2 PRO 11 -8.560 -7.363 -3.141
76 HB3 PRO 11 HB3 PRO 11 -10.194 -7.680 -3.758
77 HG2 PRO 11 HG2 PRO 11 -7.978 -6.123 -4.979
78 HG3 PRO 11 HG3 PRO 11 -9.185 -7.165 -5.746
79 HD2 PRO 11 HD2 PRO 11 -9.301 -4.423 -5.727
80 HD3 PRO 11 HD3 PRO 11 -10.714 -5.484 -5.914
81 HA PRO 12 HA PRO 12 -7.683 -3.969 0.149
82 HB2 PRO 12 HB2 PRO 12 -7.180 -5.882 2.038
83 HB3 PRO 12 HB3 PRO 12 -8.673 -4.924 2.001
84 HG2 PRO 12 HG2 PRO 12 -8.192 -7.710 1.080
85 HG3 PRO 12 HG3 PRO 12 -9.600 -7.018 1.897
86 HD2 PRO 12 HD2 PRO 12 -9.498 -7.521 -0.784
87 HD3 PRO 12 HD3 PRO 12 -10.527 -6.271 -0.051
88 H VAL 13 H VAL 13 -6.978 -6.815 -1.639
89 HA VAL 13 HA VAL 13 -4.374 -7.560 -0.871
90 HB VAL 13 HB VAL 13 -5.694 -7.351 -3.599
91 HG11 VAL 13 HG11 VAL 13 -3.955 -9.297 -4.006
92 HG12 VAL 13 HG12 VAL 13 -3.056 -8.486 -2.723
93 HG13 VAL 13 HG13 VAL 13 -3.460 -7.616 -4.204
94 HG21 VAL 13 HG21 VAL 13 -6.902 -8.821 -2.105
95 HG22 VAL 13 HG22 VAL 13 -5.406 -9.576 -1.557
96 HG23 VAL 13 HG23 VAL 13 -5.973 -9.837 -3.206
97 H VAL 14 H VAL 14 -5.395 -4.778 -2.867
98 HA VAL 14 HA VAL 14 -2.852 -3.954 -3.836
99 HB VAL 14 HB VAL 14 -3.946 -1.729 -4.021
100 HG11 VAL 14 HG11 VAL 14 -4.663 -4.046 -5.288
101 HG12 VAL 14 HG12 VAL 14 -5.273 -2.449 -5.720
102 HG13 VAL 14 HG13 VAL 14 -6.220 -3.499 -4.665
103 HG21 VAL 14 HG21 VAL 14 -6.425 -1.732 -3.201
104 HG22 VAL 14 HG22 VAL 14 -5.152 -1.421 -2.021
105 HG23 VAL 14 HG23 VAL 14 -5.898 -3.016 -2.112
106 H ALA 15 H ALA 15 -4.419 -3.339 -0.694
107 HA ALA 15 HA ALA 15 -2.312 -1.567 0.285
108 HB1 ALA 15 HB1 ALA 15 -4.493 -3.152 1.691
109 HB2 ALA 15 HB2 ALA 15 -4.670 -1.516 1.059
110 HB3 ALA 15 HB3 ALA 15 -3.574 -1.827 2.405
111 H LEU 16 H LEU 16 -3.124 -5.016 0.571
112 HA LEU 16 HA LEU 16 -1.193 -5.789 2.526
113 HB2 LEU 16 HB2 LEU 16 -3.075 -6.957 0.699
114 HB3 LEU 16 HB3 LEU 16 -1.552 -7.831 0.552
115 HG LEU 16 HG LEU 16 -1.540 -7.905 3.125
116 HD11 LEU 16 HD11 LEU 16 -4.451 -7.206 2.624
117 HD12 LEU 16 HD12 LEU 16 -3.280 -6.193 3.468
118 HD13 LEU 16 HD13 LEU 16 -3.779 -7.733 4.167
119 HD21 LEU 16 HD21 LEU 16 -1.996 -9.886 1.774
120 HD22 LEU 16 HD22 LEU 16 -3.664 -9.372 1.529
121 HD23 LEU 16 HD23 LEU 16 -3.116 -9.850 3.135
122 H VAL 17 H VAL 17 -0.952 -5.462 -1.020
123 HA VAL 17 HA VAL 17 1.712 -6.526 -1.298
124 HB VAL 17 HB VAL 17 0.065 -4.554 -2.924
125 HG11 VAL 17 HG11 VAL 17 2.220 -4.189 -3.755
126 HG12 VAL 17 HG12 VAL 17 1.665 -5.516 -4.777
127 HG13 VAL 17 HG13 VAL 17 2.738 -5.841 -3.416
128 HG21 VAL 17 HG21 VAL 17 0.583 -7.304 -3.886
129 HG22 VAL 17 HG22 VAL 17 -0.911 -6.368 -3.907
130 HG23 VAL 17 HG23 VAL 17 -0.417 -7.206 -2.437
131 H VAL 18 H VAL 18 0.472 -3.197 -0.844
132 HA VAL 18 HA VAL 18 2.956 -1.803 -1.033
133 HB VAL 18 HB VAL 18 0.356 -1.316 0.453
134 HG11 VAL 18 HG11 VAL 18 2.647 0.630 0.029
135 HG12 VAL 18 HG12 VAL 18 2.193 -0.081 1.578
136 HG13 VAL 18 HG13 VAL 18 1.084 1.013 0.750
137 HG21 VAL 18 HG21 VAL 18 0.476 -1.354 -2.102
138 HG22 VAL 18 HG22 VAL 18 1.500 0.078 -1.980
139 HG23 VAL 18 HG23 VAL 18 -0.160 0.127 -1.388
140 H MET 19 H MET 19 1.378 -3.425 1.725
141 HA MET 19 HA MET 19 3.254 -2.552 3.744
142 HB2 MET 19 HB2 MET 19 0.891 -3.496 3.994
143 HB3 MET 19 HB3 MET 19 1.590 -5.086 3.688
144 HG2 MET 19 HG2 MET 19 3.095 -3.594 5.700
145 HG3 MET 19 HG3 MET 19 1.412 -3.834 6.170
146 HE1 MET 19 HE1 MET 19 0.977 -7.136 7.262
147 HE2 MET 19 HE2 MET 19 0.502 -5.451 7.063
148 HE3 MET 19 HE3 MET 19 1.772 -5.871 8.208
149 H SER 20 H SER 20 3.000 -5.538 1.777
150 HA SER 20 HA SER 20 5.237 -6.931 2.873
151 HB2 SER 20 HB2 SER 20 3.730 -6.906 0.271
152 HB3 SER 20 HB3 SER 20 5.178 -7.899 0.417
153 HG SER 20 HG SER 20 2.970 -8.766 1.063
154 H ARG 21 H ARG 21 5.022 -4.446 0.340
155 HA ARG 21 HA ARG 21 7.663 -4.602 -0.711
156 HB2 ARG 21 HB2 ARG 21 5.526 -3.240 -1.377
157 HB3 ARG 21 HB3 ARG 21 6.172 -2.019 -0.280
158 HG2 ARG 21 HG2 ARG 21 8.339 -2.113 -1.548
159 HG3 ARG 21 HG3 ARG 21 7.558 -3.188 -2.708
160 HD2 ARG 21 HD2 ARG 21 7.254 -1.080 -3.714
161 HD3 ARG 21 HD3 ARG 21 5.737 -1.270 -2.813
162 HE ARG 21 HE ARG 21 6.783 0.074 -0.978
163 HH11 ARG 21 HH11 ARG 21 9.556 -0.275 -2.436
164 HH12 ARG 21 HH12 ARG 21 9.816 1.359 -2.944
165 HH21 ARG 21 HH21 ARG 21 6.534 2.340 -2.350
166 HH22 ARG 21 HH22 ARG 21 8.097 2.847 -2.893
167 H PHE 22 H PHE 22 6.417 -3.063 2.242
168 HA PHE 22 HA PHE 22 8.717 -1.481 2.902
169 HB2 PHE 22 HB2 PHE 22 6.340 -1.517 3.893
170 HB3 PHE 22 HB3 PHE 22 6.873 -2.905 4.840
171 HD1 PHE 22 HD1 PHE 22 7.548 0.685 4.131
172 HD2 PHE 22 HD2 PHE 22 8.272 -2.640 6.754
173 HE1 PHE 22 HE1 PHE 22 8.608 2.211 5.772
174 HE2 PHE 22 HE2 PHE 22 9.333 -1.112 8.396
175 HZ PHE 22 HZ PHE 22 9.500 1.313 7.905
176 H GLY 23 H GLY 23 7.787 -4.802 3.890
177 HA2 GLY 23 HA2 GLY 23 10.229 -5.336 5.331
178 HA3 GLY 23 HA3 GLY 23 9.082 -6.557 4.769
179 H PHE 24 H PHE 24 9.151 -5.899 1.988
180 HA PHE 24 HA PHE 24 11.351 -7.445 1.046
181 HB2 PHE 24 HB2 PHE 24 9.038 -6.136 0.051
182 HB3 PHE 24 HB3 PHE 24 10.390 -5.543 -0.913
183 HD1 PHE 24 HD1 PHE 24 8.760 -8.663 0.332
184 HD2 PHE 24 HD2 PHE 24 11.400 -6.903 -2.566
185 HE1 PHE 24 HE2 PHE 24 8.811 -10.802 -0.924
186 HE2 PHE 24 HE1 PHE 24 11.450 -9.041 -3.819
187 HZ PHE 24 HZ PHE 24 10.155 -10.991 -2.999
188 H PHE 25 H PHE 25 10.898 -3.891 1.185
189 HA PHE 25 HA PHE 25 13.337 -3.099 -0.047
190 HB2 PHE 25 HB2 PHE 25 11.146 -1.890 1.062
191 HB3 PHE 25 HB3 PHE 25 12.367 -1.529 2.279
192 HD1 PHE 25 HD1 PHE 25 14.824 -1.219 0.739
193 HD2 PHE 25 HD2 PHE 25 10.830 0.049 -0.213
194 HE1 PHE 25 HE2 PHE 25 15.738 0.571 -0.710
195 HE2 PHE 25 HE1 PHE 25 11.748 1.841 -1.662
196 HZ PHE 25 HZ PHE 25 14.201 2.102 -1.909
197 H ALA 26 H ALA 26 12.619 -3.688 3.422
198 HA ALA 26 HA ALA 26 15.280 -3.193 4.390
199 HB1 ALA 26 HB1 ALA 26 12.898 -4.782 5.379
200 HB2 ALA 26 HB2 ALA 26 13.418 -3.177 5.895
201 HB3 ALA 26 HB3 ALA 26 14.367 -4.597 6.337
202 H HIS 27 H HIS 27 13.637 -6.146 3.260
203 HA HIS 27 HA HIS 27 15.746 -7.999 3.920
204 HB2 HIS 27 HB2 HIS 27 13.271 -7.905 2.254
205 HB3 HIS 27 HB3 HIS 27 14.420 -9.193 1.898
206 HD1 HIS 27 HD1 HIS 27 13.706 -7.775 5.349
207 HD2 HIS 27 HD2 HIS 27 13.124 -11.303 3.203
208 HE1 HIS 27 HE1 HIS 27 12.842 -9.487 7.003
209 H LEU 28 H LEU 28 15.176 -5.870 1.151
210 HA LEU 28 HA LEU 28 17.346 -7.129 -0.427
211 HB2 LEU 28 HB2 LEU 28 15.237 -5.020 -0.814
212 HB3 LEU 28 HB3 LEU 28 16.600 -5.087 -1.931
213 HG LEU 28 HG LEU 28 14.981 -7.550 -1.267
214 HD11 LEU 28 HD11 LEU 28 13.483 -7.115 -3.023
215 HD12 LEU 28 HD12 LEU 28 14.519 -5.874 -3.727
216 HD13 LEU 28 HD13 LEU 28 13.632 -5.542 -2.240
217 HD21 LEU 28 HD21 LEU 28 16.054 -8.495 -3.125
218 HD22 LEU 28 HD22 LEU 28 17.328 -7.480 -2.450
219 HD23 LEU 28 HD23 LEU 28 16.404 -6.923 -3.845
220 H LEU 29 H LEU 29 17.689 -5.446 2.209
221 HA LEU 29 HA LEU 29 19.288 -3.965 3.072
222 HB2 LEU 29 HB2 LEU 29 20.754 -5.497 1.823
223 HB3 LEU 29 HB3 LEU 29 20.541 -4.530 0.364
224 HG LEU 29 HG LEU 29 21.318 -2.684 2.328
225 HD11 LEU 29 HD11 LEU 29 22.590 -5.364 2.716
226 HD12 LEU 29 HD12 LEU 29 22.214 -4.118 3.907
227 HD13 LEU 29 HD13 LEU 29 23.613 -3.934 2.850
228 HD21 LEU 29 HD21 LEU 29 23.396 -2.573 0.984
229 HD22 LEU 29 HD22 LEU 29 21.970 -2.678 -0.049
230 HD23 LEU 29 HD23 LEU 29 22.974 -4.103 0.216
231 HA PRO 30 HA PRO 30 17.573 -0.364 0.838
232 HB2 PRO 30 HB2 PRO 30 16.607 0.886 3.068
233 HB3 PRO 30 HB3 PRO 30 15.705 -0.375 2.208
234 HG2 PRO 30 HG2 PRO 30 17.192 -0.527 4.756
235 HG3 PRO 30 HG3 PRO 30 15.760 -1.418 4.225
236 HD2 PRO 30 HD2 PRO 30 18.378 -2.399 4.267
237 HD3 PRO 30 HD3 PRO 30 17.005 -3.115 3.399
238 H ARG 31 H ARG 31 20.352 -0.625 1.369
239 HA ARG 31 HA ARG 31 21.003 2.107 2.387
240 HB2 ARG 31 HB2 ARG 31 22.060 -0.574 3.301
241 HB3 ARG 31 HB3 ARG 31 22.999 0.901 3.531
242 HG2 ARG 31 HG2 ARG 31 20.956 1.901 4.660
243 HG3 ARG 31 HG3 ARG 31 20.241 0.290 4.624
244 HD2 ARG 31 HD2 ARG 31 22.984 0.282 5.682
245 HD3 ARG 31 HD3 ARG 31 21.861 1.252 6.656
246 HE ARG 31 HE ARG 31 21.580 -1.651 6.081
247 HH11 ARG 31 HH11 ARG 31 21.605 -0.516 8.866
248 HH12 ARG 31 HH12 ARG 31 19.920 -0.514 9.269
249 HH21 ARG 31 HH21 ARG 31 18.863 -0.890 5.977
250 HH22 ARG 31 HH22 ARG 31 18.361 -0.730 7.627
Start of MODEL 26
1 HA ASP 1 HA ASP 1 -10.392 11.993 -15.724
2 HB2 ASP 1 HB2 ASP 1 -11.677 14.049 -16.322
3 HB3 ASP 1 HB3 ASP 1 -11.047 13.224 -17.745
4 H THR 2 H THR 2 -12.324 9.834 -14.860
5 HA THR 2 HA THR 2 -14.265 11.330 -13.180
6 HB THR 2 HB THR 2 -15.040 8.994 -12.663
7 HG1 THR 2 HG1 THR 2 -13.898 7.344 -13.304
8 HG21 THR 2 HG21 THR 2 -14.715 9.811 -15.559
9 HG22 THR 2 HG22 THR 2 -16.095 10.118 -14.505
10 HG23 THR 2 HG23 THR 2 -15.743 8.475 -15.039
11 H GLU 3 H GLU 3 -11.159 11.127 -12.755
12 HA GLU 3 HA GLU 3 -11.070 9.813 -10.097
13 HB2 GLU 3 HB2 GLU 3 -9.221 10.600 -12.233
14 HB3 GLU 3 HB3 GLU 3 -8.619 11.034 -10.632
15 HG2 GLU 3 HG2 GLU 3 -9.043 8.707 -9.866
16 HG3 GLU 3 HG3 GLU 3 -9.563 8.284 -11.498
17 H ILE 4 H ILE 4 -11.544 11.013 -8.315
18 HA ILE 4 HA ILE 4 -11.415 13.993 -8.487
19 HB ILE 4 HB ILE 4 -12.724 12.133 -6.468
20 HG12 ILE 4 HG12 ILE 4 -14.704 13.446 -7.922
21 HG13 ILE 4 HG13 ILE 4 -13.511 13.024 -9.149
22 HG21 ILE 4 HG21 ILE 4 -12.227 14.414 -5.620
23 HG22 ILE 4 HG22 ILE 4 -13.961 14.138 -5.779
24 HG23 ILE 4 HG23 ILE 4 -13.107 15.099 -6.987
25 HD11 ILE 4 HD11 ILE 4 -13.540 10.681 -8.388
26 HD12 ILE 4 HD12 ILE 4 -15.158 11.207 -8.847
27 HD13 ILE 4 HD13 ILE 4 -14.718 11.095 -7.142
28 H ILE 5 H ILE 5 -10.687 11.411 -6.089
29 HA ILE 5 HA ILE 5 -8.535 13.176 -4.973
30 HB ILE 5 HB ILE 5 -9.950 10.811 -3.697
31 HG12 ILE 5 HG12 ILE 5 -11.591 12.574 -4.291
32 HG13 ILE 5 HG13 ILE 5 -11.372 12.467 -2.545
33 HG21 ILE 5 HG21 ILE 5 -8.106 11.180 -2.358
34 HG22 ILE 5 HG22 ILE 5 -9.214 12.353 -1.646
35 HG23 ILE 5 HG23 ILE 5 -7.991 12.883 -2.801
36 HD11 ILE 5 HD11 ILE 5 -9.955 14.464 -4.338
37 HD12 ILE 5 HD12 ILE 5 -9.865 14.390 -2.578
38 HD13 ILE 5 HD13 ILE 5 -11.381 14.824 -3.366
39 H GLY 6 H GLY 6 -8.362 11.235 -7.333
40 HA2 GLY 6 HA2 GLY 6 -6.770 9.727 -8.161
41 HA3 GLY 6 HA3 GLY 6 -5.793 10.116 -6.745
42 H GLY 7 H GLY 7 -8.880 8.385 -7.369
43 HA2 GLY 7 HA2 GLY 7 -9.107 5.982 -6.984
44 HA3 GLY 7 HA3 GLY 7 -7.782 6.083 -5.823
45 H LEU 8 H LEU 8 -11.203 6.490 -6.285
46 HA LEU 8 HA LEU 8 -11.668 7.677 -3.635
47 HB2 LEU 8 HB2 LEU 8 -13.053 7.294 -6.120
48 HB3 LEU 8 HB3 LEU 8 -14.035 6.612 -4.826
49 HG LEU 8 HG LEU 8 -14.558 9.000 -5.181
50 HD11 LEU 8 HD11 LEU 8 -14.560 7.874 -2.873
51 HD12 LEU 8 HD12 LEU 8 -14.528 9.637 -2.893
52 HD13 LEU 8 HD13 LEU 8 -13.047 8.732 -2.579
53 HD21 LEU 8 HD21 LEU 8 -11.762 9.613 -4.207
54 HD22 LEU 8 HD22 LEU 8 -12.938 10.720 -4.915
55 HD23 LEU 8 HD23 LEU 8 -12.144 9.512 -5.926
56 H THR 9 H THR 9 -12.292 4.534 -5.202
57 HA THR 9 HA THR 9 -12.704 3.343 -2.478
58 HB THR 9 HB THR 9 -13.990 1.604 -3.863
59 HG1 THR 9 HG1 THR 9 -13.194 2.076 -5.884
60 HG21 THR 9 HG21 THR 9 -14.900 4.493 -3.806
61 HG22 THR 9 HG22 THR 9 -15.179 3.271 -2.565
62 HG23 THR 9 HG23 THR 9 -15.963 3.127 -4.139
63 H ILE 10 H ILE 10 -10.470 2.818 -2.144
64 HA ILE 10 HA ILE 10 -9.090 1.144 -4.165
65 HB ILE 10 HB ILE 10 -7.179 1.402 -2.553
66 HG12 ILE 10 HG12 ILE 10 -8.361 3.531 -0.983
67 HG13 ILE 10 HG13 ILE 10 -9.259 2.033 -0.739
68 HG21 ILE 10 HG21 ILE 10 -7.834 3.079 -4.392
69 HG22 ILE 10 HG22 ILE 10 -6.753 3.660 -3.125
70 HG23 ILE 10 HG23 ILE 10 -8.466 4.081 -3.085
71 HD11 ILE 10 HD11 ILE 10 -7.255 0.847 -0.110
72 HD12 ILE 10 HD12 ILE 10 -7.307 2.338 0.832
73 HD13 ILE 10 HD13 ILE 10 -6.241 2.216 -0.568
74 HA PRO 11 HA PRO 11 -10.379 -2.548 -2.070
75 HB2 PRO 11 HB2 PRO 11 -8.759 -4.301 -3.410
76 HB3 PRO 11 HB3 PRO 11 -10.225 -3.600 -4.124
77 HG2 PRO 11 HG2 PRO 11 -7.378 -2.846 -4.527
78 HG3 PRO 11 HG3 PRO 11 -8.708 -2.897 -5.693
79 HD2 PRO 11 HD2 PRO 11 -7.771 -0.596 -4.550
80 HD3 PRO 11 HD3 PRO 11 -9.431 -0.799 -5.153
81 HA PRO 12 HA PRO 12 -7.288 -3.091 1.044
82 HB2 PRO 12 HB2 PRO 12 -8.004 -5.556 2.003
83 HB3 PRO 12 HB3 PRO 12 -8.924 -4.076 2.345
84 HG2 PRO 12 HG2 PRO 12 -9.466 -6.223 0.353
85 HG3 PRO 12 HG3 PRO 12 -10.594 -5.331 1.386
86 HD2 PRO 12 HD2 PRO 12 -10.236 -4.776 -1.250
87 HD3 PRO 12 HD3 PRO 12 -10.710 -3.550 -0.054
88 H VAL 13 H VAL 13 -7.681 -5.455 -1.524
89 HA VAL 13 HA VAL 13 -5.458 -7.176 -0.973
90 HB VAL 13 HB VAL 13 -6.799 -6.290 -3.555
91 HG11 VAL 13 HG11 VAL 13 -4.616 -7.250 -4.071
92 HG12 VAL 13 HG12 VAL 13 -5.871 -8.420 -4.481
93 HG13 VAL 13 HG13 VAL 13 -4.931 -8.617 -3.002
94 HG21 VAL 13 HG21 VAL 13 -8.369 -7.912 -3.163
95 HG22 VAL 13 HG22 VAL 13 -7.909 -7.655 -1.481
96 HG23 VAL 13 HG23 VAL 13 -7.208 -8.993 -2.393
97 H VAL 14 H VAL 14 -5.687 -4.161 -2.903
98 HA VAL 14 HA VAL 14 -2.977 -4.093 -3.821
99 HB VAL 14 HB VAL 14 -5.064 -1.966 -3.234
100 HG11 VAL 14 HG11 VAL 14 -3.508 -0.700 -4.974
101 HG12 VAL 14 HG12 VAL 14 -2.261 -1.733 -4.274
102 HG13 VAL 14 HG13 VAL 14 -3.169 -0.624 -3.245
103 HG21 VAL 14 HG21 VAL 14 -5.323 -3.789 -5.074
104 HG22 VAL 14 HG22 VAL 14 -4.060 -2.899 -5.923
105 HG23 VAL 14 HG23 VAL 14 -5.585 -2.106 -5.533
106 H ALA 15 H ALA 15 -4.500 -2.722 -0.883
107 HA ALA 15 HA ALA 15 -2.180 -1.416 0.171
108 HB1 ALA 15 HB1 ALA 15 -4.553 -2.695 1.573
109 HB2 ALA 15 HB2 ALA 15 -4.525 -1.065 0.898
110 HB3 ALA 15 HB3 ALA 15 -3.489 -1.471 2.267
111 H LEU 16 H LEU 16 -3.400 -4.751 0.544
112 HA LEU 16 HA LEU 16 -1.525 -5.622 2.536
113 HB2 LEU 16 HB2 LEU 16 -3.726 -6.653 1.528
114 HB3 LEU 16 HB3 LEU 16 -2.630 -7.387 0.357
115 HG LEU 16 HG LEU 16 -1.277 -8.248 2.330
116 HD11 LEU 16 HD11 LEU 16 -2.005 -6.837 4.110
117 HD12 LEU 16 HD12 LEU 16 -2.687 -8.424 4.463
118 HD13 LEU 16 HD13 LEU 16 -3.706 -7.162 3.771
119 HD21 LEU 16 HD21 LEU 16 -2.813 -10.119 2.752
120 HD22 LEU 16 HD22 LEU 16 -2.871 -9.663 1.050
121 HD23 LEU 16 HD23 LEU 16 -4.165 -9.166 2.140
122 H VAL 17 H VAL 17 -1.414 -5.690 -1.039
123 HA VAL 17 HA VAL 17 1.071 -7.087 -1.323
124 HB VAL 17 HB VAL 17 -0.398 -5.032 -3.011
125 HG11 VAL 17 HG11 VAL 17 1.741 -4.894 -3.936
126 HG12 VAL 17 HG12 VAL 17 1.050 -6.229 -4.859
127 HG13 VAL 17 HG13 VAL 17 2.143 -6.558 -3.513
128 HG21 VAL 17 HG21 VAL 17 -0.156 -8.054 -3.194
129 HG22 VAL 17 HG22 VAL 17 -1.069 -7.030 -4.303
130 HG23 VAL 17 HG23 VAL 17 -1.571 -7.173 -2.618
131 H VAL 18 H VAL 18 0.315 -3.617 -0.955
132 HA VAL 18 HA VAL 18 2.986 -2.610 -1.315
133 HB VAL 18 HB VAL 18 0.587 -1.592 0.253
134 HG11 VAL 18 HG11 VAL 18 1.641 0.614 0.119
135 HG12 VAL 18 HG12 VAL 18 3.020 -0.072 -0.739
136 HG13 VAL 18 HG13 VAL 18 2.724 -0.507 0.944
137 HG21 VAL 18 HG21 VAL 18 -0.216 -0.758 -1.715
138 HG22 VAL 18 HG22 VAL 18 0.789 -2.010 -2.443
139 HG23 VAL 18 HG23 VAL 18 1.393 -0.359 -2.315
140 H MET 19 H MET 19 1.226 -3.840 1.520
141 HA MET 19 HA MET 19 3.166 -3.092 3.519
142 HB2 MET 19 HB2 MET 19 0.670 -3.912 3.637
143 HB3 MET 19 HB3 MET 19 1.388 -5.523 3.662
144 HG2 MET 19 HG2 MET 19 1.411 -5.130 5.925
145 HG3 MET 19 HG3 MET 19 2.937 -4.343 5.523
146 HE1 MET 19 HE1 MET 19 1.796 -2.196 8.221
147 HE2 MET 19 HE2 MET 19 3.081 -1.767 7.095
148 HE3 MET 19 HE3 MET 19 2.850 -3.451 7.558
149 H SER 20 H SER 20 2.703 -6.021 1.532
150 HA SER 20 HA SER 20 4.750 -7.635 2.738
151 HB2 SER 20 HB2 SER 20 3.218 -7.525 0.169
152 HB3 SER 20 HB3 SER 20 4.632 -8.573 0.233
153 HG SER 20 HG SER 20 2.458 -9.409 0.945
154 H ARG 21 H ARG 21 4.835 -5.150 0.203
155 HA ARG 21 HA ARG 21 7.470 -5.630 -0.803
156 HB2 ARG 21 HB2 ARG 21 5.517 -4.113 -1.615
157 HB3 ARG 21 HB3 ARG 21 6.186 -2.912 -0.510
158 HG2 ARG 21 HG2 ARG 21 7.354 -2.377 -2.438
159 HG3 ARG 21 HG3 ARG 21 8.461 -3.548 -1.723
160 HD2 ARG 21 HD2 ARG 21 8.196 -4.948 -3.484
161 HD3 ARG 21 HD3 ARG 21 6.431 -4.900 -3.313
162 HE ARG 21 HE ARG 21 6.450 -2.791 -4.636
163 HH11 ARG 21 HH11 ARG 21 7.717 -5.064 -6.277
164 HH12 ARG 21 HH12 ARG 21 9.082 -4.247 -6.962
165 HH21 ARG 21 HH21 ARG 21 8.900 -1.552 -4.775
166 HH22 ARG 21 HH22 ARG 21 9.752 -2.251 -6.110
167 H PHE 22 H PHE 22 6.365 -4.149 2.185
168 HA PHE 22 HA PHE 22 8.560 -2.494 2.865
169 HB2 PHE 22 HB2 PHE 22 6.258 -3.022 4.008
170 HB3 PHE 22 HB3 PHE 22 7.163 -4.276 4.853
171 HD1 PHE 22 HD1 PHE 22 9.041 -3.688 6.352
172 HD2 PHE 22 HD2 PHE 22 6.649 -0.671 4.446
173 HE1 PHE 22 HE1 PHE 22 9.945 -1.986 7.913
174 HE2 PHE 22 HE2 PHE 22 7.553 1.030 6.008
175 HZ PHE 22 HZ PHE 22 9.200 0.373 7.741
176 H GLY 23 H GLY 23 8.198 -6.034 3.113
177 HA2 GLY 23 HA2 GLY 23 10.516 -6.593 4.671
178 HA3 GLY 23 HA3 GLY 23 9.798 -7.709 3.507
179 H PHE 24 H PHE 24 10.108 -6.017 1.192
180 HA PHE 24 HA PHE 24 12.773 -6.693 0.354
181 HB2 PHE 24 HB2 PHE 24 10.423 -5.970 -0.828
182 HB3 PHE 24 HB3 PHE 24 11.327 -4.465 -0.981
183 HD1 PHE 24 HD1 PHE 24 13.556 -4.455 -2.127
184 HD2 PHE 24 HD2 PHE 24 10.996 -7.905 -2.126
185 HE1 PHE 24 HE2 PHE 24 14.845 -5.412 -4.016
186 HE2 PHE 24 HE1 PHE 24 12.285 -8.862 -4.015
187 HZ PHE 24 HZ PHE 24 14.209 -7.615 -4.961
188 H PHE 25 H PHE 25 11.280 -3.573 1.276
189 HA PHE 25 HA PHE 25 13.578 -1.913 0.977
190 HB2 PHE 25 HB2 PHE 25 10.953 -1.875 2.354
191 HB3 PHE 25 HB3 PHE 25 12.164 -0.791 3.039
192 HD1 PHE 25 HD1 PHE 25 13.509 0.669 1.324
193 HD2 PHE 25 HD2 PHE 25 9.730 -1.189 0.475
194 HE1 PHE 25 HE2 PHE 25 13.144 2.263 -0.537
195 HE2 PHE 25 HE1 PHE 25 9.366 0.407 -1.388
196 HZ PHE 25 HZ PHE 25 11.072 2.134 -1.894
197 H ALA 26 H ALA 26 12.471 -3.888 3.740
198 HA ALA 26 HA ALA 26 14.440 -2.991 5.637
199 HB1 ALA 26 HB1 ALA 26 13.273 -5.771 5.540
200 HB2 ALA 26 HB2 ALA 26 12.235 -4.383 5.869
201 HB3 ALA 26 HB3 ALA 26 13.580 -4.753 6.947
202 H HIS 27 H HIS 27 14.440 -5.591 3.200
203 HA HIS 27 HA HIS 27 16.908 -6.845 3.984
204 HB2 HIS 27 HB2 HIS 27 14.937 -6.927 1.847
205 HB3 HIS 27 HB3 HIS 27 16.565 -7.095 1.194
206 HD1 HIS 27 HD1 HIS 27 14.071 -8.805 3.407
207 HD2 HIS 27 HD2 HIS 27 17.965 -9.432 2.057
208 HE1 HIS 27 HE1 HIS 27 14.662 -11.194 4.007
209 H LEU 28 H LEU 28 16.165 -4.068 1.905
210 HA LEU 28 HA LEU 28 18.954 -3.771 0.993
211 HB2 LEU 28 HB2 LEU 28 16.269 -2.606 0.487
212 HB3 LEU 28 HB3 LEU 28 17.623 -1.497 0.268
213 HG LEU 28 HG LEU 28 18.697 -3.434 -1.102
214 HD11 LEU 28 HD11 LEU 28 15.772 -4.232 -1.048
215 HD12 LEU 28 HD12 LEU 28 17.148 -5.203 -0.524
216 HD13 LEU 28 HD13 LEU 28 16.930 -4.831 -2.234
217 HD21 LEU 28 HD21 LEU 28 17.679 -2.586 -3.122
218 HD22 LEU 28 HD22 LEU 28 17.767 -1.246 -1.979
219 HD23 LEU 28 HD23 LEU 28 16.235 -2.079 -2.244
220 H LEU 29 H LEU 29 16.708 -2.122 3.231
221 HA LEU 29 HA LEU 29 18.782 -0.178 4.047
222 HB2 LEU 29 HB2 LEU 29 16.294 0.270 3.670
223 HB3 LEU 29 HB3 LEU 29 15.998 -0.636 5.154
224 HG LEU 29 HG LEU 29 18.090 1.253 5.665
225 HD11 LEU 29 HD11 LEU 29 16.581 3.320 5.329
226 HD12 LEU 29 HD12 LEU 29 15.676 2.319 4.194
227 HD13 LEU 29 HD13 LEU 29 17.380 2.668 3.899
228 HD21 LEU 29 HD21 LEU 29 15.226 1.502 6.580
229 HD22 LEU 29 HD22 LEU 29 16.705 1.838 7.481
230 HD23 LEU 29 HD23 LEU 29 16.237 0.171 7.145
231 HA PRO 30 HA PRO 30 19.980 -3.117 7.238
232 HB2 PRO 30 HB2 PRO 30 22.109 -1.661 8.163
233 HB3 PRO 30 HB3 PRO 30 22.179 -2.662 6.698
234 HG2 PRO 30 HG2 PRO 30 21.843 0.283 6.964
235 HG3 PRO 30 HG3 PRO 30 22.769 -0.647 5.774
236 HD2 PRO 30 HD2 PRO 30 20.323 0.450 5.261
237 HD3 PRO 30 HD3 PRO 30 20.948 -0.994 4.434
238 H ARG 31 H ARG 31 17.917 -2.477 8.355
239 HA ARG 31 HA ARG 31 18.475 -1.134 10.906
240 HB2 ARG 31 HB2 ARG 31 17.937 0.603 9.037
241 HB3 ARG 31 HB3 ARG 31 16.282 0.012 9.177
242 HG2 ARG 31 HG2 ARG 31 16.309 1.790 10.704
243 HG3 ARG 31 HG3 ARG 31 16.620 0.395 11.738
244 HD2 ARG 31 HD2 ARG 31 18.461 1.545 12.440
245 HD3 ARG 31 HD3 ARG 31 19.169 1.116 10.871
246 HE ARG 31 HE ARG 31 17.448 3.415 10.592
247 HH11 ARG 31 HH11 ARG 31 19.355 3.811 13.035
248 HH12 ARG 31 HH12 ARG 31 20.627 4.710 12.278
249 HH21 ARG 31 HH21 ARG 31 19.587 3.962 9.047
250 HH22 ARG 31 HH22 ARG 31 20.756 4.800 10.012
Start of MODEL 27
1 HA ASP 1 HA ASP 1 -16.310 11.860 8.796
2 HB2 ASP 1 HB2 ASP 1 -15.347 10.016 10.160
3 HB3 ASP 1 HB3 ASP 1 -15.365 11.535 11.050
4 H THR 2 H THR 2 -16.656 10.217 7.281
5 HA THR 2 HA THR 2 -18.532 8.024 7.729
6 HB THR 2 HB THR 2 -19.893 10.191 7.354
7 HG1 THR 2 HG1 THR 2 -20.287 8.053 5.532
8 HG21 THR 2 HG21 THR 2 -18.346 10.912 5.444
9 HG22 THR 2 HG22 THR 2 -20.079 11.053 5.144
10 HG23 THR 2 HG23 THR 2 -19.173 9.704 4.460
11 H GLU 3 H GLU 3 -18.457 6.485 5.979
12 HA GLU 3 HA GLU 3 -16.025 6.635 4.341
13 HB2 GLU 3 HB2 GLU 3 -17.979 4.665 5.273
14 HB3 GLU 3 HB3 GLU 3 -17.525 4.402 3.589
15 HG2 GLU 3 HG2 GLU 3 -15.969 3.181 4.994
16 HG3 GLU 3 HG3 GLU 3 -15.115 4.546 4.276
17 H ILE 4 H ILE 4 -16.341 8.237 2.751
18 HA ILE 4 HA ILE 4 -18.788 8.311 1.120
19 HB ILE 4 HB ILE 4 -16.112 9.749 0.971
20 HG12 ILE 4 HG12 ILE 4 -18.771 10.865 1.881
21 HG13 ILE 4 HG13 ILE 4 -17.682 10.055 3.009
22 HG21 ILE 4 HG21 ILE 4 -17.411 11.385 -0.438
23 HG22 ILE 4 HG22 ILE 4 -18.727 10.212 -0.493
24 HG23 ILE 4 HG23 ILE 4 -17.164 9.819 -1.210
25 HD11 ILE 4 HD11 ILE 4 -17.319 12.507 2.996
26 HD12 ILE 4 HD12 ILE 4 -16.943 12.432 1.275
27 HD13 ILE 4 HD13 ILE 4 -15.889 11.635 2.444
28 H ILE 5 H ILE 5 -15.363 7.384 0.637
29 HA ILE 5 HA ILE 5 -16.001 6.355 -2.081
30 HB ILE 5 HB ILE 5 -13.417 6.643 -0.505
31 HG12 ILE 5 HG12 ILE 5 -14.090 8.243 -2.944
32 HG13 ILE 5 HG13 ILE 5 -14.868 8.690 -1.427
33 HG21 ILE 5 HG21 ILE 5 -13.950 5.854 -3.384
34 HG22 ILE 5 HG22 ILE 5 -13.155 4.883 -2.145
35 HG23 ILE 5 HG23 ILE 5 -12.363 6.327 -2.777
36 HD11 ILE 5 HD11 ILE 5 -11.922 8.624 -2.071
37 HD12 ILE 5 HD12 ILE 5 -12.497 8.602 -0.404
38 HD13 ILE 5 HD13 ILE 5 -12.878 9.969 -1.450
39 H GLY 6 H GLY 6 -16.735 4.272 -2.143
40 HA2 GLY 6 HA2 GLY 6 -15.531 1.941 -1.628
41 HA3 GLY 6 HA3 GLY 6 -15.997 2.379 0.015
42 H GLY 7 H GLY 7 -17.007 0.060 -1.226
43 HA2 GLY 7 HA2 GLY 7 -19.903 0.757 -1.355
44 HA3 GLY 7 HA3 GLY 7 -19.214 -0.266 -2.615
45 H LEU 8 H LEU 8 -18.567 -2.415 -2.074
46 HA LEU 8 HA LEU 8 -19.811 -3.446 0.442
47 HB2 LEU 8 HB2 LEU 8 -19.125 -4.558 -2.277
48 HB3 LEU 8 HB3 LEU 8 -19.445 -5.646 -0.926
49 HG LEU 8 HG LEU 8 -21.439 -3.527 -1.079
50 HD11 LEU 8 HD11 LEU 8 -21.036 -3.562 -3.468
51 HD12 LEU 8 HD12 LEU 8 -22.532 -4.442 -3.154
52 HD13 LEU 8 HD13 LEU 8 -21.041 -5.325 -3.488
53 HD21 LEU 8 HD21 LEU 8 -22.951 -5.499 -1.024
54 HD22 LEU 8 HD22 LEU 8 -21.696 -5.605 0.210
55 HD23 LEU 8 HD23 LEU 8 -21.560 -6.555 -1.271
56 H THR 9 H THR 9 -17.275 -2.162 0.707
57 HA THR 9 HA THR 9 -15.188 -2.508 1.730
58 HB THR 9 HB THR 9 -16.183 -5.355 2.050
59 HG1 THR 9 HG1 THR 9 -16.729 -3.004 3.538
60 HG21 THR 9 HG21 THR 9 -14.213 -3.613 3.542
61 HG22 THR 9 HG22 THR 9 -13.901 -5.152 2.738
62 HG23 THR 9 HG23 THR 9 -14.867 -5.107 4.213
63 H ILE 10 H ILE 10 -13.621 -2.347 0.175
64 HA ILE 10 HA ILE 10 -13.286 -4.212 -2.014
65 HB ILE 10 HB ILE 10 -11.442 -2.850 -2.611
66 HG12 ILE 10 HG12 ILE 10 -10.237 -3.132 -0.415
67 HG13 ILE 10 HG13 ILE 10 -10.126 -1.512 -1.092
68 HG21 ILE 10 HG21 ILE 10 -13.746 -1.678 -2.310
69 HG22 ILE 10 HG22 ILE 10 -12.317 -0.687 -2.594
70 HG23 ILE 10 HG23 ILE 10 -12.966 -0.852 -0.963
71 HD11 ILE 10 HD11 ILE 10 -10.611 -1.183 1.210
72 HD12 ILE 10 HD12 ILE 10 -11.832 -2.454 1.218
73 HD13 ILE 10 HD13 ILE 10 -12.150 -0.931 0.387
74 HA PRO 11 HA PRO 11 -10.809 -7.298 -0.097
75 HB2 PRO 11 HB2 PRO 11 -9.176 -8.050 -2.156
76 HB3 PRO 11 HB3 PRO 11 -10.902 -8.456 -2.096
77 HG2 PRO 11 HG2 PRO 11 -9.506 -6.346 -3.650
78 HG3 PRO 11 HG3 PRO 11 -10.901 -7.340 -4.093
79 HD2 PRO 11 HD2 PRO 11 -11.057 -4.724 -3.262
80 HD3 PRO 11 HD3 PRO 11 -12.384 -5.898 -3.144
81 HA PRO 12 HA PRO 12 -7.092 -5.233 1.178
82 HB2 PRO 12 HB2 PRO 12 -5.963 -7.263 2.618
83 HB3 PRO 12 HB3 PRO 12 -7.353 -6.324 3.191
84 HG2 PRO 12 HG2 PRO 12 -7.265 -9.050 2.031
85 HG3 PRO 12 HG3 PRO 12 -8.320 -8.389 3.288
86 HD2 PRO 12 HD2 PRO 12 -9.047 -8.777 0.649
87 HD3 PRO 12 HD3 PRO 12 -9.857 -7.670 1.778
88 H VAL 13 H VAL 13 -6.721 -5.701 -1.376
89 HA VAL 13 HA VAL 13 -4.377 -7.530 -1.712
90 HB VAL 13 HB VAL 13 -6.394 -7.851 -3.141
91 HG11 VAL 13 HG11 VAL 13 -5.713 -5.084 -4.187
92 HG12 VAL 13 HG12 VAL 13 -7.136 -5.495 -3.230
93 HG13 VAL 13 HG13 VAL 13 -6.941 -6.160 -4.851
94 HG21 VAL 13 HG21 VAL 13 -4.171 -8.460 -4.007
95 HG22 VAL 13 HG22 VAL 13 -3.954 -6.822 -4.623
96 HG23 VAL 13 HG23 VAL 13 -5.202 -7.865 -5.307
97 H VAL 14 H VAL 14 -5.441 -4.164 -2.103
98 HA VAL 14 HA VAL 14 -2.954 -3.261 -3.345
99 HB VAL 14 HB VAL 14 -5.169 -1.729 -1.930
100 HG11 VAL 14 HG11 VAL 14 -3.123 -0.412 -2.338
101 HG12 VAL 14 HG12 VAL 14 -4.437 0.132 -3.381
102 HG13 VAL 14 HG13 VAL 14 -3.155 -0.885 -4.037
103 HG21 VAL 14 HG21 VAL 14 -5.920 -1.406 -4.388
104 HG22 VAL 14 HG22 VAL 14 -6.260 -2.964 -3.635
105 HG23 VAL 14 HG23 VAL 14 -4.898 -2.799 -4.743
106 H ALA 15 H ALA 15 -4.389 -3.033 -0.071
107 HA ALA 15 HA ALA 15 -2.276 -1.584 1.188
108 HB1 ALA 15 HB1 ALA 15 -4.079 -3.714 2.380
109 HB2 ALA 15 HB2 ALA 15 -4.612 -2.071 2.027
110 HB3 ALA 15 HB3 ALA 15 -3.350 -2.349 3.226
111 H LEU 16 H LEU 16 -2.769 -5.096 0.744
112 HA LEU 16 HA LEU 16 -0.531 -5.990 2.302
113 HB2 LEU 16 HB2 LEU 16 -2.511 -7.311 1.449
114 HB3 LEU 16 HB3 LEU 16 -1.779 -7.265 -0.155
115 HG LEU 16 HG LEU 16 0.249 -8.100 1.657
116 HD11 LEU 16 HD11 LEU 16 -2.110 -9.955 1.868
117 HD12 LEU 16 HD12 LEU 16 -1.909 -8.649 3.034
118 HD13 LEU 16 HD13 LEU 16 -0.661 -9.885 2.872
119 HD21 LEU 16 HD21 LEU 16 -1.332 -9.908 -0.175
120 HD22 LEU 16 HD22 LEU 16 0.394 -9.952 0.189
121 HD23 LEU 16 HD23 LEU 16 -0.261 -8.664 -0.821
122 H VAL 17 H VAL 17 -0.837 -5.233 -1.191
123 HA VAL 17 HA VAL 17 1.810 -5.995 -1.968
124 HB VAL 17 HB VAL 17 -0.211 -3.983 -3.004
125 HG11 VAL 17 HG11 VAL 17 2.510 -4.737 -4.076
126 HG12 VAL 17 HG12 VAL 17 1.811 -3.129 -3.884
127 HG13 VAL 17 HG13 VAL 17 1.221 -4.200 -5.155
128 HG21 VAL 17 HG21 VAL 17 -0.608 -6.528 -3.047
129 HG22 VAL 17 HG22 VAL 17 0.700 -6.597 -4.227
130 HG23 VAL 17 HG23 VAL 17 -0.762 -5.679 -4.585
131 H VAL 18 H VAL 18 0.532 -2.960 -0.608
132 HA VAL 18 HA VAL 18 2.933 -1.391 -0.957
133 HB VAL 18 HB VAL 18 0.621 -1.210 1.013
134 HG11 VAL 18 HG11 VAL 18 1.297 1.246 1.033
135 HG12 VAL 18 HG12 VAL 18 2.795 0.754 0.245
136 HG13 VAL 18 HG13 VAL 18 2.408 0.151 1.857
137 HG21 VAL 18 HG21 VAL 18 -0.589 -0.218 -0.640
138 HG22 VAL 18 HG22 VAL 18 0.554 -0.993 -1.736
139 HG23 VAL 18 HG23 VAL 18 0.804 0.682 -1.242
140 H MET 19 H MET 19 1.625 -3.244 1.818
141 HA MET 19 HA MET 19 3.785 -2.713 3.635
142 HB2 MET 19 HB2 MET 19 1.408 -4.408 3.401
143 HB3 MET 19 HB3 MET 19 2.716 -5.217 4.264
144 HG2 MET 19 HG2 MET 19 1.638 -4.062 5.989
145 HG3 MET 19 HG3 MET 19 2.927 -2.944 5.548
146 HE1 MET 19 HE1 MET 19 1.916 -0.827 6.449
147 HE2 MET 19 HE2 MET 19 0.700 -1.867 7.185
148 HE3 MET 19 HE3 MET 19 0.203 -0.406 6.335
149 H SER 20 H SER 20 3.246 -5.293 1.234
150 HA SER 20 HA SER 20 5.495 -6.938 1.923
151 HB2 SER 20 HB2 SER 20 3.792 -6.486 -0.526
152 HB3 SER 20 HB3 SER 20 5.139 -7.620 -0.568
153 HG SER 20 HG SER 20 2.703 -7.765 0.742
154 H ARG 21 H ARG 21 5.140 -4.201 -0.352
155 HA ARG 21 HA ARG 21 7.702 -4.339 -1.590
156 HB2 ARG 21 HB2 ARG 21 5.469 -2.794 -1.787
157 HB3 ARG 21 HB3 ARG 21 6.554 -1.667 -0.975
158 HG2 ARG 21 HG2 ARG 21 8.059 -1.620 -2.750
159 HG3 ARG 21 HG3 ARG 21 7.573 -3.209 -3.338
160 HD2 ARG 21 HD2 ARG 21 5.772 -0.763 -3.451
161 HD3 ARG 21 HD3 ARG 21 6.771 -1.320 -4.807
162 HE ARG 21 HE ARG 21 4.516 -2.860 -3.600
163 HH11 ARG 21 HH11 ARG 21 6.702 -4.618 -4.662
164 HH12 ARG 21 HH12 ARG 21 6.207 -4.866 -6.303
165 HH21 ARG 21 HH21 ARG 21 3.960 -2.211 -6.298
166 HH22 ARG 21 HH22 ARG 21 4.645 -3.498 -7.232
167 H PHE 22 H PHE 22 6.667 -2.530 1.331
168 HA PHE 22 HA PHE 22 9.309 -1.486 1.915
169 HB2 PHE 22 HB2 PHE 22 6.889 -0.761 2.647
170 HB3 PHE 22 HB3 PHE 22 7.133 -1.925 3.951
171 HD1 PHE 22 HD1 PHE 22 8.883 -1.585 5.642
172 HD2 PHE 22 HD2 PHE 22 8.225 1.277 2.506
173 HE1 PHE 22 HE2 PHE 22 10.257 0.073 6.868
174 HE2 PHE 22 HE1 PHE 22 9.600 2.936 3.733
175 HZ PHE 22 HZ PHE 22 10.616 2.334 5.914
176 H GLY 23 H GLY 23 7.454 -4.319 3.049
177 HA2 GLY 23 HA2 GLY 23 9.309 -5.171 5.057
178 HA3 GLY 23 HA3 GLY 23 8.134 -6.214 4.255
179 H PHE 24 H PHE 24 8.991 -6.051 1.602
180 HA PHE 24 HA PHE 24 11.187 -7.914 1.549
181 HB2 PHE 24 HB2 PHE 24 9.198 -7.187 -0.131
182 HB3 PHE 24 HB3 PHE 24 10.520 -6.272 -0.848
183 HD1 PHE 24 HD1 PHE 24 12.695 -7.509 -1.402
184 HD2 PHE 24 HD2 PHE 24 9.011 -9.522 -0.487
185 HE1 PHE 24 HE1 PHE 24 13.561 -9.577 -2.461
186 HE2 PHE 24 HE2 PHE 24 9.878 -11.589 -1.546
187 HZ PHE 24 HZ PHE 24 12.153 -11.617 -2.533
188 H PHE 25 H PHE 25 10.978 -4.451 0.639
189 HA PHE 25 HA PHE 25 13.727 -4.114 -0.081
190 HB2 PHE 25 HB2 PHE 25 11.393 -2.424 0.671
191 HB3 PHE 25 HB3 PHE 25 12.976 -1.657 0.773
192 HD1 PHE 25 HD1 PHE 25 10.840 -3.703 -1.529
193 HD2 PHE 25 HD2 PHE 25 14.029 -0.848 -1.165
194 HE1 PHE 25 HE1 PHE 25 10.874 -3.430 -3.990
195 HE2 PHE 25 HE2 PHE 25 14.064 -0.576 -3.630
196 HZ PHE 25 HZ PHE 25 12.486 -1.866 -5.043
197 H ALA 26 H ALA 26 12.080 -3.874 3.072
198 HA ALA 26 HA ALA 26 14.341 -2.805 4.527
199 HB1 ALA 26 HB1 ALA 26 12.963 -3.590 6.486
200 HB2 ALA 26 HB2 ALA 26 11.875 -4.377 5.343
201 HB3 ALA 26 HB3 ALA 26 12.049 -2.622 5.330
202 H HIS 27 H HIS 27 13.098 -6.129 4.029
203 HA HIS 27 HA HIS 27 15.561 -7.202 5.349
204 HB2 HIS 27 HB2 HIS 27 12.977 -7.782 5.794
205 HB3 HIS 27 HB3 HIS 27 13.268 -8.913 4.473
206 HD1 HIS 27 HD1 HIS 27 13.363 -8.875 7.996
207 HD2 HIS 27 HD2 HIS 27 15.994 -10.322 5.104
208 HE1 HIS 27 HE1 HIS 27 14.845 -10.569 9.158
209 H LEU 28 H LEU 28 15.737 -6.081 2.670
210 HA LEU 28 HA LEU 28 15.708 -8.300 0.740
211 HB2 LEU 28 HB2 LEU 28 15.454 -5.596 0.592
212 HB3 LEU 28 HB3 LEU 28 17.163 -5.764 0.191
213 HG LEU 28 HG LEU 28 15.237 -7.617 -1.145
214 HD11 LEU 28 HD11 LEU 28 14.992 -5.810 -2.952
215 HD12 LEU 28 HD12 LEU 28 15.507 -4.660 -1.718
216 HD13 LEU 28 HD13 LEU 28 14.029 -5.595 -1.490
217 HD21 LEU 28 HD21 LEU 28 16.847 -7.451 -2.946
218 HD22 LEU 28 HD22 LEU 28 17.746 -7.669 -1.446
219 HD23 LEU 28 HD23 LEU 28 17.633 -6.070 -2.181
220 H LEU 29 H LEU 29 18.120 -6.536 2.664
221 HA LEU 29 HA LEU 29 20.489 -7.553 1.433
222 HB2 LEU 29 HB2 LEU 29 21.531 -6.850 3.571
223 HB3 LEU 29 HB3 LEU 29 20.380 -5.645 2.997
224 HG LEU 29 HG LEU 29 18.961 -7.542 4.617
225 HD11 LEU 29 HD11 LEU 29 20.102 -7.332 6.735
226 HD12 LEU 29 HD12 LEU 29 21.320 -6.270 6.030
227 HD13 LEU 29 HD13 LEU 29 21.256 -7.970 5.565
228 HD21 LEU 29 HD21 LEU 29 18.417 -5.130 4.163
229 HD22 LEU 29 HD22 LEU 29 19.762 -4.676 5.209
230 HD23 LEU 29 HD23 LEU 29 18.379 -5.544 5.877
231 HA PRO 30 HA PRO 30 20.540 -11.743 2.803
232 HB2 PRO 30 HB2 PRO 30 23.235 -12.221 2.774
233 HB3 PRO 30 HB3 PRO 30 22.262 -12.084 1.297
234 HG2 PRO 30 HG2 PRO 30 24.058 -10.087 2.572
235 HG3 PRO 30 HG3 PRO 30 23.778 -10.424 0.856
236 HD2 PRO 30 HD2 PRO 30 22.679 -8.307 2.202
237 HD3 PRO 30 HD3 PRO 30 21.963 -9.045 0.753
238 H ARG 31 H ARG 31 19.960 -11.983 4.957
239 HA ARG 31 HA ARG 31 22.111 -11.733 7.004
240 HB2 ARG 31 HB2 ARG 31 20.542 -9.644 6.663
241 HB3 ARG 31 HB3 ARG 31 19.368 -10.622 7.544
242 HG2 ARG 31 HG2 ARG 31 20.361 -9.754 9.396
243 HG3 ARG 31 HG3 ARG 31 21.608 -10.961 9.084
244 HD2 ARG 31 HD2 ARG 31 23.133 -9.369 8.533
245 HD3 ARG 31 HD3 ARG 31 21.979 -8.530 7.479
246 HE ARG 31 HE ARG 31 22.347 -8.033 10.373
247 HH11 ARG 31 HH11 ARG 31 22.343 -5.756 8.530
248 HH12 ARG 31 HH12 ARG 31 20.724 -5.151 8.636
249 HH21 ARG 31 HH21 ARG 31 19.457 -8.054 10.068
250 HH22 ARG 31 HH22 ARG 31 19.084 -6.458 9.510
Start of MODEL 28
1 HA ASP 1 HA ASP 1 -6.322 2.564 -11.661
2 HB2 ASP 1 HB2 ASP 1 -8.318 1.203 -13.316
3 HB3 ASP 1 HB3 ASP 1 -9.010 1.838 -11.823
4 H THR 2 H THR 2 -7.681 2.720 -9.618
5 HA THR 2 HA THR 2 -7.151 0.385 -7.888
6 HB THR 2 HB THR 2 -6.674 2.835 -7.345
7 HG1 THR 2 HG1 THR 2 -6.721 1.361 -5.684
8 HG21 THR 2 HG21 THR 2 -8.472 4.266 -6.690
9 HG22 THR 2 HG22 THR 2 -9.642 2.949 -6.771
10 HG23 THR 2 HG23 THR 2 -8.934 3.595 -8.253
11 H GLU 3 H GLU 3 -9.023 0.028 -6.171
12 HA GLU 3 HA GLU 3 -11.414 -0.790 -7.698
13 HB2 GLU 3 HB2 GLU 3 -11.967 -1.888 -5.490
14 HB3 GLU 3 HB3 GLU 3 -10.403 -2.361 -6.148
15 HG2 GLU 3 HG2 GLU 3 -10.216 0.017 -4.446
16 HG3 GLU 3 HG3 GLU 3 -10.862 -1.379 -3.583
17 H ILE 4 H ILE 4 -12.128 1.493 -8.096
18 HA ILE 4 HA ILE 4 -12.958 3.153 -5.838
19 HB ILE 4 HB ILE 4 -12.168 3.932 -8.109
20 HG12 ILE 4 HG12 ILE 4 -14.956 4.934 -7.507
21 HG13 ILE 4 HG13 ILE 4 -13.594 5.278 -6.441
22 HG21 ILE 4 HG21 ILE 4 -14.966 3.153 -8.988
23 HG22 ILE 4 HG22 ILE 4 -13.517 2.232 -9.395
24 HG23 ILE 4 HG23 ILE 4 -13.704 3.884 -9.981
25 HD11 ILE 4 HD11 ILE 4 -12.402 6.408 -8.209
26 HD12 ILE 4 HD12 ILE 4 -14.037 7.067 -8.172
27 HD13 ILE 4 HD13 ILE 4 -13.588 5.892 -9.408
28 H ILE 5 H ILE 5 -14.522 0.715 -7.853
29 HA ILE 5 HA ILE 5 -17.240 1.495 -7.051
30 HB ILE 5 HB ILE 5 -17.810 -0.630 -8.299
31 HG12 ILE 5 HG12 ILE 5 -15.076 -0.848 -9.393
32 HG13 ILE 5 HG13 ILE 5 -15.221 -1.375 -7.717
33 HG21 ILE 5 HG21 ILE 5 -15.905 1.182 -9.804
34 HG22 ILE 5 HG22 ILE 5 -17.555 1.637 -9.379
35 HG23 ILE 5 HG23 ILE 5 -17.267 0.277 -10.465
36 HD11 ILE 5 HD11 ILE 5 -17.069 -2.307 -9.930
37 HD12 ILE 5 HD12 ILE 5 -16.973 -2.938 -8.287
38 HD13 ILE 5 HD13 ILE 5 -15.639 -3.199 -9.410
39 H GLY 6 H GLY 6 -17.086 1.354 -4.714
40 HA2 GLY 6 HA2 GLY 6 -18.132 -0.794 -3.411
41 HA3 GLY 6 HA3 GLY 6 -16.427 -1.236 -3.483
42 H GLY 7 H GLY 7 -17.623 -0.844 -1.008
43 HA2 GLY 7 HA2 GLY 7 -16.522 1.802 -0.138
44 HA3 GLY 7 HA3 GLY 7 -17.864 0.994 0.674
45 H LEU 8 H LEU 8 -17.418 -0.654 2.152
46 HA LEU 8 HA LEU 8 -14.515 -1.274 2.625
47 HB2 LEU 8 HB2 LEU 8 -16.771 -0.461 4.450
48 HB3 LEU 8 HB3 LEU 8 -15.431 -1.415 5.087
49 HG LEU 8 HG LEU 8 -14.799 1.001 3.433
50 HD11 LEU 8 HD11 LEU 8 -14.832 2.341 5.580
51 HD12 LEU 8 HD12 LEU 8 -15.743 1.020 6.311
52 HD13 LEU 8 HD13 LEU 8 -16.426 1.918 4.955
53 HD21 LEU 8 HD21 LEU 8 -12.812 1.020 4.788
54 HD22 LEU 8 HD22 LEU 8 -13.093 -0.661 4.336
55 HD23 LEU 8 HD23 LEU 8 -13.522 -0.099 5.952
56 H THR 9 H THR 9 -16.275 -2.883 1.015
57 HA THR 9 HA THR 9 -16.657 -5.287 2.778
58 HB THR 9 HB THR 9 -18.160 -4.848 0.210
59 HG1 THR 9 HG1 THR 9 -19.532 -3.468 1.139
60 HG21 THR 9 HG21 THR 9 -18.508 -6.956 1.299
61 HG22 THR 9 HG22 THR 9 -19.944 -5.980 1.611
62 HG23 THR 9 HG23 THR 9 -18.722 -6.177 2.868
63 H ILE 10 H ILE 10 -14.174 -4.644 1.423
64 HA ILE 10 HA ILE 10 -14.016 -6.979 -0.433
65 HB ILE 10 HB ILE 10 -12.585 -5.498 -1.927
66 HG12 ILE 10 HG12 ILE 10 -13.876 -3.070 -0.831
67 HG13 ILE 10 HG13 ILE 10 -12.618 -3.761 0.192
68 HG21 ILE 10 HG21 ILE 10 -15.011 -6.033 -2.350
69 HG22 ILE 10 HG22 ILE 10 -14.479 -4.501 -3.044
70 HG23 ILE 10 HG23 ILE 10 -15.426 -4.514 -1.555
71 HD11 ILE 10 HD11 ILE 10 -12.122 -2.061 -1.883
72 HD12 ILE 10 HD12 ILE 10 -11.945 -3.622 -2.684
73 HD13 ILE 10 HD13 ILE 10 -10.957 -3.237 -1.275
74 HA PRO 11 HA PRO 11 -10.257 -7.737 1.730
75 HB2 PRO 11 HB2 PRO 11 -8.769 -9.001 -0.188
76 HB3 PRO 11 HB3 PRO 11 -10.150 -9.766 0.623
77 HG2 PRO 11 HG2 PRO 11 -9.985 -8.534 -2.076
78 HG3 PRO 11 HG3 PRO 11 -10.883 -9.961 -1.537
79 HD2 PRO 11 HD2 PRO 11 -12.011 -7.496 -1.957
80 HD3 PRO 11 HD3 PRO 11 -12.681 -8.729 -0.866
81 HA PRO 12 HA PRO 12 -7.646 -4.330 0.573
82 HB2 PRO 12 HB2 PRO 12 -5.696 -4.683 2.451
83 HB3 PRO 12 HB3 PRO 12 -7.302 -4.038 2.832
84 HG2 PRO 12 HG2 PRO 12 -6.195 -6.743 3.301
85 HG3 PRO 12 HG3 PRO 12 -7.351 -5.812 4.262
86 HD2 PRO 12 HD2 PRO 12 -8.000 -7.883 2.537
87 HD3 PRO 12 HD3 PRO 12 -9.130 -6.647 3.130
88 H VAL 13 H VAL 13 -7.258 -5.932 -1.403
89 HA VAL 13 HA VAL 13 -4.809 -7.476 -1.469
90 HB VAL 13 HB VAL 13 -6.810 -7.803 -2.928
91 HG11 VAL 13 HG11 VAL 13 -7.336 -6.308 -4.709
92 HG12 VAL 13 HG12 VAL 13 -5.851 -5.388 -4.475
93 HG13 VAL 13 HG13 VAL 13 -7.145 -5.290 -3.282
94 HG21 VAL 13 HG21 VAL 13 -4.277 -7.162 -4.470
95 HG22 VAL 13 HG22 VAL 13 -5.563 -8.255 -4.983
96 HG23 VAL 13 HG23 VAL 13 -4.567 -8.660 -3.586
97 H VAL 14 H VAL 14 -5.616 -4.145 -2.518
98 HA VAL 14 HA VAL 14 -2.992 -3.596 -3.629
99 HB VAL 14 HB VAL 14 -3.814 -1.250 -3.600
100 HG11 VAL 14 HG11 VAL 14 -5.590 -1.570 -5.143
101 HG12 VAL 14 HG12 VAL 14 -6.093 -3.076 -4.375
102 HG13 VAL 14 HG13 VAL 14 -4.588 -3.013 -5.293
103 HG21 VAL 14 HG21 VAL 14 -5.871 -2.457 -1.764
104 HG22 VAL 14 HG22 VAL 14 -6.311 -1.085 -2.777
105 HG23 VAL 14 HG23 VAL 14 -4.999 -0.933 -1.611
106 H ALA 15 H ALA 15 -4.467 -3.171 -0.426
107 HA ALA 15 HA ALA 15 -2.353 -1.614 0.760
108 HB1 ALA 15 HB1 ALA 15 -4.642 -1.834 1.659
109 HB2 ALA 15 HB2 ALA 15 -3.461 -2.362 2.859
110 HB3 ALA 15 HB3 ALA 15 -4.373 -3.556 1.936
111 H LEU 16 H LEU 16 -2.959 -5.121 0.503
112 HA LEU 16 HA LEU 16 -0.756 -5.978 2.156
113 HB2 LEU 16 HB2 LEU 16 -2.877 -7.201 1.254
114 HB3 LEU 16 HB3 LEU 16 -1.905 -7.502 -0.186
115 HG LEU 16 HG LEU 16 -0.107 -8.362 1.502
116 HD11 LEU 16 HD11 LEU 16 -1.076 -7.674 3.578
117 HD12 LEU 16 HD12 LEU 16 -1.282 -9.424 3.510
118 HD13 LEU 16 HD13 LEU 16 -2.643 -8.362 3.154
119 HD21 LEU 16 HD21 LEU 16 -1.150 -10.617 1.462
120 HD22 LEU 16 HD22 LEU 16 -1.296 -9.804 -0.096
121 HD23 LEU 16 HD23 LEU 16 -2.683 -9.884 0.989
122 H VAL 17 H VAL 17 -1.055 -5.262 -1.323
123 HA VAL 17 HA VAL 17 1.536 -6.256 -2.112
124 HB VAL 17 HB VAL 17 -0.447 -4.254 -3.227
125 HG11 VAL 17 HG11 VAL 17 1.485 -3.448 -4.254
126 HG12 VAL 17 HG12 VAL 17 1.004 -4.711 -5.387
127 HG13 VAL 17 HG13 VAL 17 2.286 -5.020 -4.215
128 HG21 VAL 17 HG21 VAL 17 -1.041 -6.678 -3.197
129 HG22 VAL 17 HG22 VAL 17 0.411 -7.022 -4.136
130 HG23 VAL 17 HG23 VAL 17 -0.883 -6.049 -4.836
131 H VAL 18 H VAL 18 0.410 -3.138 -0.833
132 HA VAL 18 HA VAL 18 2.929 -1.738 -1.306
133 HB VAL 18 HB VAL 18 0.462 -1.224 0.391
134 HG11 VAL 18 HG11 VAL 18 2.095 0.055 1.502
135 HG12 VAL 18 HG12 VAL 18 1.439 1.193 0.326
136 HG13 VAL 18 HG13 VAL 18 2.979 0.392 0.014
137 HG21 VAL 18 HG21 VAL 18 1.409 0.232 -2.086
138 HG22 VAL 18 HG22 VAL 18 -0.198 0.249 -1.361
139 HG23 VAL 18 HG23 VAL 18 0.382 -1.199 -2.182
140 H MET 19 H MET 19 1.439 -3.474 1.422
141 HA MET 19 HA MET 19 3.414 -2.769 3.405
142 HB2 MET 19 HB2 MET 19 1.300 -4.885 3.042
143 HB3 MET 19 HB3 MET 19 2.387 -4.957 4.429
144 HG2 MET 19 HG2 MET 19 1.673 -2.815 5.219
145 HG3 MET 19 HG3 MET 19 0.833 -2.462 3.710
146 HE1 MET 19 HE1 MET 19 -2.499 -2.831 5.150
147 HE2 MET 19 HE2 MET 19 -1.464 -2.217 3.864
148 HE3 MET 19 HE3 MET 19 -1.143 -1.763 5.535
149 H SER 20 H SER 20 3.054 -5.636 1.275
150 HA SER 20 HA SER 20 5.260 -7.148 2.233
151 HB2 SER 20 HB2 SER 20 5.179 -8.061 -0.170
152 HB3 SER 20 HB3 SER 20 3.681 -8.143 0.749
153 HG SER 20 HG SER 20 2.810 -6.779 -0.596
154 H ARG 21 H ARG 21 5.157 -4.561 -0.226
155 HA ARG 21 HA ARG 21 7.850 -4.738 -1.151
156 HB2 ARG 21 HB2 ARG 21 5.631 -2.767 -1.081
157 HB3 ARG 21 HB3 ARG 21 7.240 -2.083 -1.321
158 HG2 ARG 21 HG2 ARG 21 7.627 -3.609 -3.210
159 HG3 ARG 21 HG3 ARG 21 6.035 -4.331 -2.964
160 HD2 ARG 21 HD2 ARG 21 6.369 -1.358 -3.455
161 HD3 ARG 21 HD3 ARG 21 6.169 -2.518 -4.783
162 HE ARG 21 HE ARG 21 4.187 -2.966 -2.721
163 HH11 ARG 21 HH11 ARG 21 3.720 -3.052 -5.706
164 HH12 ARG 21 HH12 ARG 21 2.688 -1.680 -5.939
165 HH21 ARG 21 HH21 ARG 21 3.443 -0.264 -2.855
166 HH22 ARG 21 HH22 ARG 21 2.531 -0.093 -4.317
167 H PHE 22 H PHE 22 6.447 -2.898 1.584
168 HA PHE 22 HA PHE 22 8.815 -1.520 2.393
169 HB2 PHE 22 HB2 PHE 22 6.403 -1.174 3.115
170 HB3 PHE 22 HB3 PHE 22 6.581 -2.592 4.148
171 HD1 PHE 22 HD1 PHE 22 7.834 0.848 3.509
172 HD2 PHE 22 HD2 PHE 22 7.800 -2.493 6.210
173 HE1 PHE 22 HE2 PHE 22 8.891 2.251 5.259
174 HE2 PHE 22 HE1 PHE 22 8.854 -1.087 7.960
175 HZ PHE 22 HZ PHE 22 9.401 1.285 7.485
176 H GLY 23 H GLY 23 7.471 -4.659 3.509
177 HA2 GLY 23 HA2 GLY 23 9.618 -5.260 5.318
178 HA3 GLY 23 HA3 GLY 23 8.499 -6.444 4.639
179 H PHE 24 H PHE 24 9.079 -6.016 1.880
180 HA PHE 24 HA PHE 24 11.340 -7.726 1.483
181 HB2 PHE 24 HB2 PHE 24 9.331 -6.286 -0.059
182 HB3 PHE 24 HB3 PHE 24 10.893 -6.253 -0.874
183 HD1 PHE 24 HD1 PHE 24 8.274 -8.466 0.540
184 HD2 PHE 24 HD2 PHE 24 11.878 -8.247 -1.788
185 HE1 PHE 24 HE1 PHE 24 7.953 -10.817 -0.180
186 HE2 PHE 24 HE2 PHE 24 11.557 -10.598 -2.507
187 HZ PHE 24 HZ PHE 24 9.594 -11.883 -1.703
188 H PHE 25 H PHE 25 10.980 -4.179 1.129
189 HA PHE 25 HA PHE 25 13.650 -3.633 0.237
190 HB2 PHE 25 HB2 PHE 25 11.452 -2.210 0.349
191 HB3 PHE 25 HB3 PHE 25 12.015 -1.779 1.963
192 HD1 PHE 25 HD1 PHE 25 12.704 -1.538 -1.650
193 HD2 PHE 25 HD2 PHE 25 14.034 -0.445 2.285
194 HE1 PHE 25 HE1 PHE 25 14.255 0.127 -2.636
195 HE2 PHE 25 HE2 PHE 25 15.585 1.220 1.299
196 HZ PHE 25 HZ PHE 25 15.695 1.506 -1.162
197 H ALA 26 H ALA 26 12.271 -4.016 3.492
198 HA ALA 26 HA ALA 26 14.366 -2.949 5.072
199 HB1 ALA 26 HB1 ALA 26 13.354 -4.234 6.824
200 HB2 ALA 26 HB2 ALA 26 12.762 -5.444 5.686
201 HB3 ALA 26 HB3 ALA 26 12.048 -3.831 5.710
202 H HIS 27 H HIS 27 14.052 -6.209 3.628
203 HA HIS 27 HA HIS 27 16.830 -6.834 4.570
204 HB2 HIS 27 HB2 HIS 27 14.519 -8.211 4.903
205 HB3 HIS 27 HB3 HIS 27 15.057 -8.905 3.373
206 HD1 HIS 27 HD1 HIS 27 16.103 -8.524 6.980
207 HD2 HIS 27 HD2 HIS 27 17.343 -10.556 3.557
208 HE1 HIS 27 HE1 HIS 27 17.881 -10.165 7.725
209 H LEU 28 H LEU 28 15.811 -5.286 2.034
210 HA LEU 28 HA LEU 28 17.725 -6.547 0.172
211 HB2 LEU 28 HB2 LEU 28 15.114 -7.373 0.142
212 HB3 LEU 28 HB3 LEU 28 15.062 -6.055 -1.028
213 HG LEU 28 HG LEU 28 17.405 -7.800 -1.345
214 HD11 LEU 28 HD11 LEU 28 15.924 -9.572 -0.682
215 HD12 LEU 28 HD12 LEU 28 15.997 -9.606 -2.444
216 HD13 LEU 28 HD13 LEU 28 14.599 -8.901 -1.634
217 HD21 LEU 28 HD21 LEU 28 16.871 -6.171 -3.030
218 HD22 LEU 28 HD22 LEU 28 15.198 -6.721 -3.120
219 HD23 LEU 28 HD23 LEU 28 16.498 -7.748 -3.725
220 H LEU 29 H LEU 29 17.809 -4.016 1.454
221 HA LEU 29 HA LEU 29 16.847 -2.000 -0.488
222 HB2 LEU 29 HB2 LEU 29 17.718 -0.419 1.211
223 HB3 LEU 29 HB3 LEU 29 16.669 -1.627 1.944
224 HG LEU 29 HG LEU 29 19.290 -2.717 1.975
225 HD11 LEU 29 HD11 LEU 29 20.427 -0.948 3.368
226 HD12 LEU 29 HD12 LEU 29 19.159 0.174 2.874
227 HD13 LEU 29 HD13 LEU 29 20.243 -0.519 1.668
228 HD21 LEU 29 HD21 LEU 29 18.204 -1.442 4.430
229 HD22 LEU 29 HD22 LEU 29 18.740 -3.102 4.166
230 HD23 LEU 29 HD23 LEU 29 17.140 -2.597 3.626
231 HA PRO 30 HA PRO 30 20.697 -1.951 -2.662
232 HB2 PRO 30 HB2 PRO 30 20.388 0.431 -3.970
233 HB3 PRO 30 HB3 PRO 30 19.520 -1.045 -4.433
234 HG2 PRO 30 HG2 PRO 30 18.565 1.305 -2.889
235 HG3 PRO 30 HG3 PRO 30 17.706 0.301 -4.066
236 HD2 PRO 30 HD2 PRO 30 17.410 0.091 -1.346
237 HD3 PRO 30 HD3 PRO 30 17.082 -1.225 -2.494
238 H ARG 31 H ARG 31 22.720 -0.680 -2.743
239 HA ARG 31 HA ARG 31 22.976 1.687 -1.003
240 HB2 ARG 31 HB2 ARG 31 22.961 -0.329 0.498
241 HB3 ARG 31 HB3 ARG 31 24.386 -0.923 -0.353
242 HG2 ARG 31 HG2 ARG 31 24.956 0.285 1.761
243 HG3 ARG 31 HG3 ARG 31 25.671 1.029 0.332
244 HD2 ARG 31 HD2 ARG 31 24.630 2.700 1.916
245 HD3 ARG 31 HD3 ARG 31 23.910 2.741 0.296
246 HE ARG 31 HE ARG 31 21.936 1.717 1.178
247 HH11 ARG 31 HH11 ARG 31 22.229 3.407 3.552
248 HH12 ARG 31 HH12 ARG 31 22.258 2.268 4.857
249 HH21 ARG 31 HH21 ARG 31 22.970 -0.452 2.813
250 HH22 ARG 31 HH22 ARG 31 22.680 0.074 4.437
Start of MODEL 29
1 HA ASP 1 HA ASP 1 -13.559 -7.307 -10.997
2 HB2 ASP 1 HB2 ASP 1 -13.513 -8.778 -13.062
3 HB3 ASP 1 HB3 ASP 1 -14.898 -9.643 -12.397
4 H THR 2 H THR 2 -15.197 -6.495 -9.732
5 HA THR 2 HA THR 2 -17.125 -8.423 -8.474
6 HB THR 2 HB THR 2 -15.868 -5.999 -7.152
7 HG1 THR 2 HG1 THR 2 -14.269 -7.225 -6.554
8 HG21 THR 2 HG21 THR 2 -16.673 -7.110 -5.087
9 HG22 THR 2 HG22 THR 2 -17.392 -8.385 -6.070
10 HG23 THR 2 HG23 THR 2 -17.998 -6.733 -6.188
11 H GLU 3 H GLU 3 -19.235 -7.535 -8.094
12 HA GLU 3 HA GLU 3 -19.858 -5.126 -9.740
13 HB2 GLU 3 HB2 GLU 3 -21.525 -7.370 -8.550
14 HB3 GLU 3 HB3 GLU 3 -22.191 -6.052 -9.513
15 HG2 GLU 3 HG2 GLU 3 -20.693 -6.703 -11.393
16 HG3 GLU 3 HG3 GLU 3 -20.118 -8.067 -10.433
17 H ILE 4 H ILE 4 -18.705 -4.089 -7.628
18 HA ILE 4 HA ILE 4 -20.911 -2.967 -6.011
19 HB ILE 4 HB ILE 4 -20.102 -5.126 -4.940
20 HG12 ILE 4 HG12 ILE 4 -19.776 -4.045 -2.657
21 HG13 ILE 4 HG13 ILE 4 -19.800 -2.488 -3.482
22 HG21 ILE 4 HG21 ILE 4 -17.934 -5.324 -4.075
23 HG22 ILE 4 HG22 ILE 4 -17.648 -3.585 -4.126
24 HG23 ILE 4 HG23 ILE 4 -17.648 -4.523 -5.620
25 HD11 ILE 4 HD11 ILE 4 -22.012 -4.490 -3.909
26 HD12 ILE 4 HD12 ILE 4 -22.040 -2.746 -4.169
27 HD13 ILE 4 HD13 ILE 4 -22.039 -3.393 -2.529
28 H ILE 5 H ILE 5 -20.333 -0.944 -5.067
29 HA ILE 5 HA ILE 5 -17.568 0.069 -5.592
30 HB ILE 5 HB ILE 5 -18.712 2.203 -6.387
31 HG12 ILE 5 HG12 ILE 5 -20.985 1.174 -5.384
32 HG13 ILE 5 HG13 ILE 5 -20.987 2.322 -6.718
33 HG21 ILE 5 HG21 ILE 5 -19.101 -0.339 -7.990
34 HG22 ILE 5 HG22 ILE 5 -17.663 0.680 -7.969
35 HG23 ILE 5 HG23 ILE 5 -19.165 1.292 -8.659
36 HD11 ILE 5 HD11 ILE 5 -21.469 0.687 -8.304
37 HD12 ILE 5 HD12 ILE 5 -22.347 0.065 -6.908
38 HD13 ILE 5 HD13 ILE 5 -20.775 -0.610 -7.332
39 H GLY 6 H GLY 6 -17.101 2.054 -4.306
40 HA2 GLY 6 HA2 GLY 6 -18.924 2.894 -2.205
41 HA3 GLY 6 HA3 GLY 6 -17.634 1.863 -1.586
42 H GLY 7 H GLY 7 -18.089 4.727 -1.046
43 HA2 GLY 7 HA2 GLY 7 -16.019 6.196 -2.505
44 HA3 GLY 7 HA3 GLY 7 -16.948 6.801 -1.132
45 H LEU 8 H LEU 8 -16.383 4.880 0.803
46 HA LEU 8 HA LEU 8 -13.418 5.195 1.162
47 HB2 LEU 8 HB2 LEU 8 -15.803 5.754 2.799
48 HB3 LEU 8 HB3 LEU 8 -14.562 4.854 3.666
49 HG LEU 8 HG LEU 8 -14.236 7.288 3.921
50 HD11 LEU 8 HD11 LEU 8 -12.304 5.555 3.648
51 HD12 LEU 8 HD12 LEU 8 -11.917 7.274 3.569
52 HD13 LEU 8 HD13 LEU 8 -12.051 6.331 2.085
53 HD21 LEU 8 HD21 LEU 8 -13.536 7.471 1.003
54 HD22 LEU 8 HD22 LEU 8 -13.988 8.757 2.122
55 HD23 LEU 8 HD23 LEU 8 -15.217 7.652 1.506
56 H THR 9 H THR 9 -14.875 2.891 -0.107
57 HA THR 9 HA THR 9 -14.281 0.745 1.906
58 HB THR 9 HB THR 9 -15.977 0.502 -0.589
59 HG1 THR 9 HG1 THR 9 -17.667 1.284 0.495
60 HG21 THR 9 HG21 THR 9 -16.984 -1.347 0.600
61 HG22 THR 9 HG22 THR 9 -16.118 -0.928 2.078
62 HG23 THR 9 HG23 THR 9 -15.232 -1.542 0.681
63 H ILE 10 H ILE 10 -11.979 1.405 0.938
64 HA ILE 10 HA ILE 10 -11.338 0.409 -1.725
65 HB ILE 10 HB ILE 10 -9.015 0.879 -0.993
66 HG12 ILE 10 HG12 ILE 10 -9.472 2.061 1.554
67 HG13 ILE 10 HG13 ILE 10 -10.172 0.443 1.611
68 HG21 ILE 10 HG21 ILE 10 -10.533 2.725 -1.724
69 HG22 ILE 10 HG22 ILE 10 -9.292 3.259 -0.591
70 HG23 ILE 10 HG23 ILE 10 -10.946 3.010 -0.034
71 HD11 ILE 10 HD11 ILE 10 -7.387 0.997 0.560
72 HD12 ILE 10 HD12 ILE 10 -8.096 -0.569 0.950
73 HD13 ILE 10 HD13 ILE 10 -7.715 0.571 2.240
74 HA PRO 11 HA PRO 11 -10.677 -3.827 -0.720
75 HB2 PRO 11 HB2 PRO 11 -8.828 -4.500 -2.617
76 HB3 PRO 11 HB3 PRO 11 -10.535 -4.206 -2.997
77 HG2 PRO 11 HG2 PRO 11 -8.179 -2.442 -3.382
78 HG3 PRO 11 HG3 PRO 11 -9.623 -2.636 -4.386
79 HD2 PRO 11 HD2 PRO 11 -9.198 -0.544 -2.651
80 HD3 PRO 11 HD3 PRO 11 -10.797 -1.081 -3.211
81 HA PRO 12 HA PRO 12 -7.055 -3.827 1.852
82 HB2 PRO 12 HB2 PRO 12 -7.060 -6.468 2.560
83 HB3 PRO 12 HB3 PRO 12 -8.204 -5.287 3.227
84 HG2 PRO 12 HG2 PRO 12 -8.611 -7.325 1.106
85 HG3 PRO 12 HG3 PRO 12 -9.724 -6.761 2.361
86 HD2 PRO 12 HD2 PRO 12 -9.823 -5.967 -0.267
87 HD3 PRO 12 HD3 PRO 12 -10.470 -5.022 1.092
88 H VAL 13 H VAL 13 -7.385 -5.854 -0.979
89 HA VAL 13 HA VAL 13 -4.891 -7.215 -1.031
90 HB VAL 13 HB VAL 13 -6.606 -6.052 -3.256
91 HG11 VAL 13 HG11 VAL 13 -4.648 -6.584 -4.392
92 HG12 VAL 13 HG12 VAL 13 -5.482 -8.137 -4.441
93 HG13 VAL 13 HG13 VAL 13 -4.209 -7.857 -3.253
94 HG21 VAL 13 HG21 VAL 13 -6.977 -8.781 -3.197
95 HG22 VAL 13 HG22 VAL 13 -8.053 -7.608 -2.439
96 HG23 VAL 13 HG23 VAL 13 -6.801 -8.401 -1.483
97 H VAL 14 H VAL 14 -5.719 -3.920 -2.207
98 HA VAL 14 HA VAL 14 -3.233 -3.277 -3.416
99 HB VAL 14 HB VAL 14 -5.427 -1.999 -3.447
100 HG11 VAL 14 HG11 VAL 14 -6.012 -0.545 -1.669
101 HG12 VAL 14 HG12 VAL 14 -4.440 -0.726 -0.894
102 HG13 VAL 14 HG13 VAL 14 -5.590 -2.061 -0.876
103 HG21 VAL 14 HG21 VAL 14 -4.320 0.230 -3.525
104 HG22 VAL 14 HG22 VAL 14 -3.384 -1.012 -4.357
105 HG23 VAL 14 HG23 VAL 14 -2.900 -0.473 -2.748
106 H ALA 15 H ALA 15 -4.210 -3.150 0.008
107 HA ALA 15 HA ALA 15 -1.737 -1.909 0.936
108 HB1 ALA 15 HB1 ALA 15 -4.107 -1.988 1.997
109 HB2 ALA 15 HB2 ALA 15 -2.731 -2.204 3.078
110 HB3 ALA 15 HB3 ALA 15 -3.660 -3.604 2.543
111 H LEU 16 H LEU 16 -3.005 -5.218 0.658
112 HA LEU 16 HA LEU 16 -0.938 -6.634 2.020
113 HB2 LEU 16 HB2 LEU 16 -3.228 -7.116 0.341
114 HB3 LEU 16 HB3 LEU 16 -1.901 -8.140 -0.203
115 HG LEU 16 HG LEU 16 -1.574 -8.727 2.290
116 HD11 LEU 16 HD11 LEU 16 -3.115 -6.813 3.003
117 HD12 LEU 16 HD12 LEU 16 -3.426 -8.375 3.761
118 HD13 LEU 16 HD13 LEU 16 -4.456 -7.815 2.444
119 HD21 LEU 16 HD21 LEU 16 -2.410 -10.441 0.896
120 HD22 LEU 16 HD22 LEU 16 -3.915 -9.576 0.584
121 HD23 LEU 16 HD23 LEU 16 -3.631 -10.311 2.162
122 H VAL 17 H VAL 17 -1.078 -5.270 -1.239
123 HA VAL 17 HA VAL 17 1.330 -6.655 -2.185
124 HB VAL 17 HB VAL 17 -0.311 -4.316 -3.230
125 HG11 VAL 17 HG11 VAL 17 1.826 -5.998 -4.579
126 HG12 VAL 17 HG12 VAL 17 1.940 -4.281 -4.194
127 HG13 VAL 17 HG13 VAL 17 0.787 -4.838 -5.407
128 HG21 VAL 17 HG21 VAL 17 -1.716 -5.847 -4.140
129 HG22 VAL 17 HG22 VAL 17 -1.006 -6.990 -3.000
130 HG23 VAL 17 HG23 VAL 17 -0.386 -6.889 -4.647
131 H VAL 18 H VAL 18 0.502 -3.356 -1.070
132 HA VAL 18 HA VAL 18 3.135 -2.237 -1.451
133 HB VAL 18 HB VAL 18 0.716 -1.518 0.227
134 HG11 VAL 18 HG11 VAL 18 1.882 0.779 0.312
135 HG12 VAL 18 HG12 VAL 18 3.363 -0.091 -0.091
136 HG13 VAL 18 HG13 VAL 18 2.496 -0.466 1.399
137 HG21 VAL 18 HG21 VAL 18 0.313 0.104 -1.506
138 HG22 VAL 18 HG22 VAL 18 0.647 -1.429 -2.312
139 HG23 VAL 18 HG23 VAL 18 1.896 -0.186 -2.226
140 H MET 19 H MET 19 1.512 -3.687 1.407
141 HA MET 19 HA MET 19 3.625 -3.192 3.277
142 HB2 MET 19 HB2 MET 19 2.470 -4.863 4.626
143 HB3 MET 19 HB3 MET 19 1.268 -3.887 3.784
144 HG2 MET 19 HG2 MET 19 0.400 -5.894 3.164
145 HG3 MET 19 HG3 MET 19 1.693 -5.893 1.968
146 HE1 MET 19 HE1 MET 19 -0.105 -7.325 4.482
147 HE2 MET 19 HE2 MET 19 0.978 -7.315 5.872
148 HE3 MET 19 HE3 MET 19 0.710 -8.813 4.984
149 H SER 20 H SER 20 3.207 -5.703 0.816
150 HA SER 20 HA SER 20 5.271 -7.497 1.772
151 HB2 SER 20 HB2 SER 20 3.367 -7.898 0.090
152 HB3 SER 20 HB3 SER 20 4.363 -7.047 -1.087
153 HG SER 20 HG SER 20 5.972 -8.604 -0.768
154 H ARG 21 H ARG 21 5.209 -4.800 -0.570
155 HA ARG 21 HA ARG 21 7.951 -4.957 -1.409
156 HB2 ARG 21 HB2 ARG 21 5.630 -3.209 -1.644
157 HB3 ARG 21 HB3 ARG 21 7.109 -2.265 -1.471
158 HG2 ARG 21 HG2 ARG 21 6.860 -2.647 -3.814
159 HG3 ARG 21 HG3 ARG 21 8.116 -3.766 -3.281
160 HD2 ARG 21 HD2 ARG 21 6.733 -5.634 -3.500
161 HD3 ARG 21 HD3 ARG 21 5.248 -4.687 -3.279
162 HE ARG 21 HE ARG 21 5.342 -4.061 -5.577
163 HH11 ARG 21 HH11 ARG 21 6.937 -6.830 -5.444
164 HH12 ARG 21 HH12 ARG 21 8.161 -6.482 -6.619
165 HH21 ARG 21 HH21 ARG 21 7.486 -3.072 -6.699
166 HH22 ARG 21 HH22 ARG 21 8.473 -4.347 -7.332
167 H PHE 22 H PHE 22 6.347 -3.272 1.292
168 HA PHE 22 HA PHE 22 8.552 -1.724 2.229
169 HB2 PHE 22 HB2 PHE 22 6.132 -1.576 2.901
170 HB3 PHE 22 HB3 PHE 22 6.336 -3.072 3.810
171 HD1 PHE 22 HD1 PHE 22 7.635 0.417 3.492
172 HD2 PHE 22 HD2 PHE 22 7.236 -3.052 5.995
173 HE1 PHE 22 HE1 PHE 22 8.525 1.703 5.417
174 HE2 PHE 22 HE2 PHE 22 8.126 -1.765 7.920
175 HZ PHE 22 HZ PHE 22 8.772 0.612 7.630
176 H GLY 23 H GLY 23 7.522 -5.056 3.058
177 HA2 GLY 23 HA2 GLY 23 9.549 -5.570 5.007
178 HA3 GLY 23 HA3 GLY 23 8.695 -6.810 4.087
179 H PHE 24 H PHE 24 9.495 -5.955 1.473
180 HA PHE 24 HA PHE 24 12.028 -7.284 1.194
181 HB2 PHE 24 HB2 PHE 24 10.081 -5.772 -0.476
182 HB3 PHE 24 HB3 PHE 24 11.718 -5.890 -1.118
183 HD1 PHE 24 HD1 PHE 24 9.030 -8.007 0.419
184 HD2 PHE 24 HD2 PHE 24 12.367 -7.816 -2.279
185 HE1 PHE 24 HE1 PHE 24 8.581 -10.336 -0.300
186 HE2 PHE 24 HE2 PHE 24 11.918 -10.146 -2.997
187 HZ PHE 24 HZ PHE 24 10.025 -11.406 -2.008
188 H PHE 25 H PHE 25 11.120 -3.821 1.148
189 HA PHE 25 HA PHE 25 13.677 -2.714 0.564
190 HB2 PHE 25 HB2 PHE 25 11.464 -1.545 0.603
191 HB3 PHE 25 HB3 PHE 25 11.470 -1.650 2.363
192 HD1 PHE 25 HD1 PHE 25 13.360 -0.290 -0.553
193 HD2 PHE 25 HD2 PHE 25 12.665 -0.082 3.681
194 HE1 PHE 25 HE1 PHE 25 14.724 1.777 -0.431
195 HE2 PHE 25 HE2 PHE 25 14.030 1.984 3.803
196 HZ PHE 25 HZ PHE 25 15.060 2.915 1.747
197 H ALA 26 H ALA 26 12.201 -3.604 3.699
198 HA ALA 26 HA ALA 26 14.424 -2.700 5.326
199 HB1 ALA 26 HB1 ALA 26 11.977 -3.121 5.957
200 HB2 ALA 26 HB2 ALA 26 13.176 -3.742 7.091
201 HB3 ALA 26 HB3 ALA 26 12.376 -4.839 5.965
202 H HIS 27 H HIS 27 13.532 -5.821 3.858
203 HA HIS 27 HA HIS 27 15.643 -7.354 5.137
204 HB2 HIS 27 HB2 HIS 27 13.350 -7.963 3.909
205 HB3 HIS 27 HB3 HIS 27 14.416 -8.118 2.514
206 HD1 HIS 27 HD1 HIS 27 16.752 -9.584 3.229
207 HD2 HIS 27 HD2 HIS 27 13.207 -10.333 5.291
208 HE1 HIS 27 HE1 HIS 27 17.015 -11.864 4.300
209 H LEU 28 H LEU 28 15.438 -5.404 2.202
210 HA LEU 28 HA LEU 28 18.116 -6.376 1.305
211 HB2 LEU 28 HB2 LEU 28 15.733 -5.022 0.084
212 HB3 LEU 28 HB3 LEU 28 17.306 -4.798 -0.679
213 HG LEU 28 HG LEU 28 17.297 -7.506 -0.215
214 HD11 LEU 28 HD11 LEU 28 14.489 -6.707 -1.044
215 HD12 LEU 28 HD12 LEU 28 14.925 -7.387 0.524
216 HD13 LEU 28 HD13 LEU 28 15.113 -8.353 -0.940
217 HD21 LEU 28 HD21 LEU 28 16.342 -5.937 -2.628
218 HD22 LEU 28 HD22 LEU 28 16.717 -7.660 -2.668
219 HD23 LEU 28 HD23 LEU 28 17.984 -6.489 -2.302
220 H LEU 29 H LEU 29 18.223 -4.809 3.621
221 HA LEU 29 HA LEU 29 18.814 -2.016 2.799
222 HB2 LEU 29 HB2 LEU 29 17.498 -2.641 4.855
223 HB3 LEU 29 HB3 LEU 29 18.958 -3.383 5.505
224 HG LEU 29 HG LEU 29 19.900 -0.918 4.775
225 HD11 LEU 29 HD11 LEU 29 18.332 0.772 5.188
226 HD12 LEU 29 HD12 LEU 29 17.253 -0.308 6.069
227 HD13 LEU 29 HD13 LEU 29 17.368 -0.418 4.314
228 HD21 LEU 29 HD21 LEU 29 19.681 -0.377 7.222
229 HD22 LEU 29 HD22 LEU 29 20.333 -1.986 6.917
230 HD23 LEU 29 HD23 LEU 29 18.647 -1.795 7.398
231 HA PRO 30 HA PRO 30 23.100 -3.330 2.460
232 HB2 PRO 30 HB2 PRO 30 24.033 -0.979 1.417
233 HB3 PRO 30 HB3 PRO 30 23.172 -2.188 0.447
234 HG2 PRO 30 HG2 PRO 30 22.198 0.376 1.573
235 HG3 PRO 30 HG3 PRO 30 21.773 -0.430 0.056
236 HD2 PRO 30 HD2 PRO 30 20.220 -0.439 2.339
237 HD3 PRO 30 HD3 PRO 30 20.103 -1.626 1.023
238 H ARG 31 H ARG 31 22.590 -2.990 5.021
239 HA ARG 31 HA ARG 31 24.759 -1.280 6.036
240 HB2 ARG 31 HB2 ARG 31 22.344 -0.089 5.676
241 HB3 ARG 31 HB3 ARG 31 22.126 -0.730 7.304
242 HG2 ARG 31 HG2 ARG 31 24.607 0.298 7.573
243 HG3 ARG 31 HG3 ARG 31 23.981 1.385 6.333
244 HD2 ARG 31 HD2 ARG 31 22.206 0.814 8.678
245 HD3 ARG 31 HD3 ARG 31 23.587 1.900 8.929
246 HE ARG 31 HE ARG 31 22.716 3.165 6.877
247 HH11 ARG 31 HH11 ARG 31 21.058 3.949 9.147
248 HH12 ARG 31 HH12 ARG 31 19.448 3.582 8.626
249 HH21 ARG 31 HH21 ARG 31 20.482 1.483 6.053
250 HH22 ARG 31 HH22 ARG 31 19.120 2.178 6.866
Start of MODEL 30
1 HA ASP 1 HA ASP 1 -4.227 4.986 -15.129
2 HB2 ASP 1 HB2 ASP 1 -2.858 2.970 -15.469
3 HB3 ASP 1 HB3 ASP 1 -1.822 4.394 -15.410
4 H THR 2 H THR 2 -5.641 3.110 -14.938
5 HA THR 2 HA THR 2 -7.138 1.679 -13.809
6 HB THR 2 HB THR 2 -5.050 1.664 -11.609
7 HG1 THR 2 HG1 THR 2 -3.737 1.083 -13.143
8 HG21 THR 2 HG21 THR 2 -7.208 -0.178 -12.581
9 HG22 THR 2 HG22 THR 2 -6.790 0.279 -10.930
10 HG23 THR 2 HG23 THR 2 -5.775 -0.861 -11.813
11 H GLU 3 H GLU 3 -8.389 1.509 -11.614
12 HA GLU 3 HA GLU 3 -9.223 4.215 -10.838
13 HB2 GLU 3 HB2 GLU 3 -10.097 1.380 -10.441
14 HB3 GLU 3 HB3 GLU 3 -10.666 2.573 -9.273
15 HG2 GLU 3 HG2 GLU 3 -11.600 3.943 -11.062
16 HG3 GLU 3 HG3 GLU 3 -10.942 2.851 -12.280
17 H ILE 4 H ILE 4 -7.327 5.011 -9.708
18 HA ILE 4 HA ILE 4 -6.758 3.640 -7.102
19 HB ILE 4 HB ILE 4 -5.045 3.942 -9.089
20 HG12 ILE 4 HG12 ILE 4 -4.552 3.024 -6.823
21 HG13 ILE 4 HG13 ILE 4 -3.214 3.960 -7.483
22 HG21 ILE 4 HG21 ILE 4 -5.493 6.437 -9.196
23 HG22 ILE 4 HG22 ILE 4 -3.793 5.982 -9.078
24 HG23 ILE 4 HG23 ILE 4 -4.647 6.576 -7.655
25 HD11 ILE 4 HD11 ILE 4 -4.478 5.939 -6.182
26 HD12 ILE 4 HD12 ILE 4 -3.296 4.904 -5.385
27 HD13 ILE 4 HD13 ILE 4 -5.019 4.584 -5.192
28 H ILE 5 H ILE 5 -7.434 6.785 -8.642
29 HA ILE 5 HA ILE 5 -7.419 8.100 -5.962
30 HB ILE 5 HB ILE 5 -7.488 9.107 -8.823
31 HG12 ILE 5 HG12 ILE 5 -5.359 9.920 -6.939
32 HG13 ILE 5 HG13 ILE 5 -5.368 8.204 -7.337
33 HG21 ILE 5 HG21 ILE 5 -7.197 11.372 -7.773
34 HG22 ILE 5 HG22 ILE 5 -7.541 10.640 -6.207
35 HG23 ILE 5 HG23 ILE 5 -8.778 10.653 -7.465
36 HD11 ILE 5 HD11 ILE 5 -4.127 8.932 -9.125
37 HD12 ILE 5 HD12 ILE 5 -4.825 10.551 -9.082
38 HD13 ILE 5 HD13 ILE 5 -5.725 9.221 -9.810
39 H GLY 6 H GLY 6 -9.376 8.039 -4.950
40 HA2 GLY 6 HA2 GLY 6 -11.667 9.192 -5.180
41 HA3 GLY 6 HA3 GLY 6 -11.854 8.186 -6.617
42 H GLY 7 H GLY 7 -10.971 7.763 -3.164
43 HA2 GLY 7 HA2 GLY 7 -13.077 5.749 -2.841
44 HA3 GLY 7 HA3 GLY 7 -11.439 5.099 -2.752
45 H LEU 8 H LEU 8 -10.174 5.554 -0.928
46 HA LEU 8 HA LEU 8 -11.075 7.507 1.080
47 HB2 LEU 8 HB2 LEU 8 -11.841 4.706 1.124
48 HB3 LEU 8 HB3 LEU 8 -10.890 5.109 2.553
49 HG LEU 8 HG LEU 8 -13.128 6.916 1.662
50 HD11 LEU 8 HD11 LEU 8 -14.682 5.677 3.060
51 HD12 LEU 8 HD12 LEU 8 -13.416 4.542 3.526
52 HD13 LEU 8 HD13 LEU 8 -14.003 4.572 1.864
53 HD21 LEU 8 HD21 LEU 8 -13.149 7.461 4.071
54 HD22 LEU 8 HD22 LEU 8 -11.536 7.691 3.394
55 HD23 LEU 8 HD23 LEU 8 -11.892 6.258 4.358
56 H THR 9 H THR 9 -9.271 4.510 1.647
57 HA THR 9 HA THR 9 -6.693 6.013 1.657
58 HB THR 9 HB THR 9 -6.302 4.842 3.938
59 HG1 THR 9 HG1 THR 9 -8.012 3.476 4.028
60 HG21 THR 9 HG21 THR 9 -6.844 7.318 3.474
61 HG22 THR 9 HG22 THR 9 -7.140 6.719 5.107
62 HG23 THR 9 HG23 THR 9 -8.485 6.922 3.984
63 H ILE 10 H ILE 10 -7.290 4.263 -0.325
64 HA ILE 10 HA ILE 10 -6.411 2.403 -1.461
65 HB ILE 10 HB ILE 10 -4.728 2.157 1.051
66 HG12 ILE 10 HG12 ILE 10 -3.698 3.323 -1.499
67 HG13 ILE 10 HG13 ILE 10 -4.766 4.332 -0.525
68 HG21 ILE 10 HG21 ILE 10 -3.162 0.934 -0.400
69 HG22 ILE 10 HG22 ILE 10 -4.285 1.093 -1.751
70 HG23 ILE 10 HG23 ILE 10 -4.727 0.121 -0.348
71 HD11 ILE 10 HD11 ILE 10 -3.316 4.206 1.370
72 HD12 ILE 10 HD12 ILE 10 -2.273 4.538 -0.013
73 HD13 ILE 10 HD13 ILE 10 -2.370 2.906 0.646
74 HA PRO 11 HA PRO 11 -8.940 -0.789 0.243
75 HB2 PRO 11 HB2 PRO 11 -8.608 -2.622 -1.761
76 HB3 PRO 11 HB3 PRO 11 -9.624 -1.178 -1.928
77 HG2 PRO 11 HG2 PRO 11 -6.940 -1.733 -3.023
78 HG3 PRO 11 HG3 PRO 11 -8.236 -0.715 -3.662
79 HD2 PRO 11 HD2 PRO 11 -5.948 0.173 -2.323
80 HD3 PRO 11 HD3 PRO 11 -7.404 1.131 -2.648
81 HA PRO 12 HA PRO 12 -6.320 -3.676 2.285
82 HB2 PRO 12 HB2 PRO 12 -7.762 -6.010 2.212
83 HB3 PRO 12 HB3 PRO 12 -8.176 -4.641 3.264
84 HG2 PRO 12 HG2 PRO 12 -9.338 -5.415 0.626
85 HG3 PRO 12 HG3 PRO 12 -10.153 -4.846 2.093
86 HD2 PRO 12 HD2 PRO 12 -9.686 -3.222 -0.008
87 HD3 PRO 12 HD3 PRO 12 -9.665 -2.631 1.670
88 H VAL 13 H VAL 13 -7.544 -4.682 -0.891
89 HA VAL 13 HA VAL 13 -5.710 -6.860 -1.340
90 HB VAL 13 HB VAL 13 -7.121 -4.952 -3.246
91 HG11 VAL 13 HG11 VAL 13 -5.919 -7.699 -3.722
92 HG12 VAL 13 HG12 VAL 13 -5.290 -6.176 -4.350
93 HG13 VAL 13 HG13 VAL 13 -6.853 -6.776 -4.899
94 HG21 VAL 13 HG21 VAL 13 -8.563 -7.193 -3.390
95 HG22 VAL 13 HG22 VAL 13 -8.878 -5.988 -2.141
96 HG23 VAL 13 HG23 VAL 13 -7.928 -7.425 -1.762
97 H VAL 14 H VAL 14 -5.615 -3.419 -2.368
98 HA VAL 14 HA VAL 14 -2.974 -3.538 -3.521
99 HB VAL 14 HB VAL 14 -4.719 -1.312 -2.418
100 HG11 VAL 14 HG11 VAL 14 -3.134 0.104 -3.937
101 HG12 VAL 14 HG12 VAL 14 -2.002 -1.231 -3.717
102 HG13 VAL 14 HG13 VAL 14 -2.587 -0.330 -2.317
103 HG21 VAL 14 HG21 VAL 14 -5.282 -2.744 -4.544
104 HG22 VAL 14 HG22 VAL 14 -4.002 -1.797 -5.302
105 HG23 VAL 14 HG23 VAL 14 -5.419 -0.988 -4.634
106 H ALA 15 H ALA 15 -4.184 -2.581 -0.292
107 HA ALA 15 HA ALA 15 -1.706 -1.751 0.852
108 HB1 ALA 15 HB1 ALA 15 -4.076 -1.484 1.727
109 HB2 ALA 15 HB2 ALA 15 -2.902 -2.000 2.939
110 HB3 ALA 15 HB3 ALA 15 -4.007 -3.175 2.224
111 H LEU 16 H LEU 16 -3.201 -4.982 0.598
112 HA LEU 16 HA LEU 16 -1.295 -6.399 2.220
113 HB2 LEU 16 HB2 LEU 16 -3.594 -7.129 1.428
114 HB3 LEU 16 HB3 LEU 16 -2.882 -7.407 -0.161
115 HG LEU 16 HG LEU 16 -1.161 -8.886 1.066
116 HD11 LEU 16 HD11 LEU 16 -1.552 -8.237 3.342
117 HD12 LEU 16 HD12 LEU 16 -2.158 -9.885 3.186
118 HD13 LEU 16 HD13 LEU 16 -3.285 -8.529 3.195
119 HD21 LEU 16 HD21 LEU 16 -2.790 -10.806 1.131
120 HD22 LEU 16 HD22 LEU 16 -2.873 -9.858 -0.354
121 HD23 LEU 16 HD23 LEU 16 -4.095 -9.642 0.900
122 H VAL 17 H VAL 17 -1.425 -5.703 -1.284
123 HA VAL 17 HA VAL 17 0.917 -7.224 -2.009
124 HB VAL 17 HB VAL 17 -0.553 -4.861 -3.227
125 HG11 VAL 17 HG11 VAL 17 0.675 -5.608 -5.350
126 HG12 VAL 17 HG12 VAL 17 1.773 -6.484 -4.282
127 HG13 VAL 17 HG13 VAL 17 1.638 -4.729 -4.162
128 HG21 VAL 17 HG21 VAL 17 -1.539 -6.523 -4.673
129 HG22 VAL 17 HG22 VAL 17 -1.698 -7.115 -3.020
130 HG23 VAL 17 HG23 VAL 17 -0.447 -7.772 -4.074
131 H VAL 18 H VAL 18 0.420 -3.809 -1.076
132 HA VAL 18 HA VAL 18 3.128 -2.931 -1.499
133 HB VAL 18 HB VAL 18 0.831 -2.001 0.251
134 HG11 VAL 18 HG11 VAL 18 2.194 0.197 0.245
135 HG12 VAL 18 HG12 VAL 18 3.578 -0.814 -0.173
136 HG13 VAL 18 HG13 VAL 18 2.719 -1.077 1.346
137 HG21 VAL 18 HG21 VAL 18 0.712 -1.931 -2.309
138 HG22 VAL 18 HG22 VAL 18 2.010 -0.740 -2.237
139 HG23 VAL 18 HG23 VAL 18 0.454 -0.395 -1.483
140 H MET 19 H MET 19 1.528 -4.585 1.194
141 HA MET 19 HA MET 19 3.398 -4.134 3.282
142 HB2 MET 19 HB2 MET 19 1.086 -5.351 3.168
143 HB3 MET 19 HB3 MET 19 2.041 -6.783 2.778
144 HG2 MET 19 HG2 MET 19 3.451 -5.937 4.896
145 HG3 MET 19 HG3 MET 19 1.889 -5.239 5.328
146 HE1 MET 19 HE1 MET 19 0.166 -6.560 6.673
147 HE2 MET 19 HE2 MET 19 -0.473 -8.023 5.929
148 HE3 MET 19 HE3 MET 19 -0.309 -6.554 4.969
149 H SER 20 H SER 20 3.400 -6.608 0.693
150 HA SER 20 HA SER 20 5.746 -8.030 1.537
151 HB2 SER 20 HB2 SER 20 3.900 -8.524 -0.257
152 HB3 SER 20 HB3 SER 20 4.937 -7.601 -1.340
153 HG SER 20 HG SER 20 6.621 -9.056 -0.848
154 H ARG 21 H ARG 21 5.298 -5.226 -0.634
155 HA ARG 21 HA ARG 21 8.020 -4.935 -1.473
156 HB2 ARG 21 HB2 ARG 21 6.105 -3.831 -2.544
157 HB3 ARG 21 HB3 ARG 21 5.778 -2.921 -1.069
158 HG2 ARG 21 HG2 ARG 21 7.544 -1.484 -1.392
159 HG3 ARG 21 HG3 ARG 21 8.528 -2.702 -2.200
160 HD2 ARG 21 HD2 ARG 21 6.075 -1.419 -3.461
161 HD3 ARG 21 HD3 ARG 21 7.739 -0.880 -3.755
162 HE ARG 21 HE ARG 21 6.544 -3.202 -4.943
163 HH11 ARG 21 HH11 ARG 21 9.079 -1.814 -5.860
164 HH12 ARG 21 HH12 ARG 21 10.265 -3.048 -5.596
165 HH21 ARG 21 HH21 ARG 21 8.216 -4.944 -3.526
166 HH22 ARG 21 HH22 ARG 21 9.775 -4.825 -4.268
167 H PHE 22 H PHE 22 6.246 -3.629 1.336
168 HA PHE 22 HA PHE 22 8.293 -1.923 2.369
169 HB2 PHE 22 HB2 PHE 22 5.868 -2.023 3.018
170 HB3 PHE 22 HB3 PHE 22 6.195 -3.542 3.853
171 HD1 PHE 22 HD1 PHE 22 7.309 0.031 3.702
172 HD2 PHE 22 HD2 PHE 22 6.945 -3.530 6.077
173 HE1 PHE 22 HE1 PHE 22 8.065 1.288 5.702
174 HE2 PHE 22 HE2 PHE 22 7.700 -2.273 8.077
175 HZ PHE 22 HZ PHE 22 8.260 0.136 7.889
176 H GLY 23 H GLY 23 7.564 -5.370 3.049
177 HA2 GLY 23 HA2 GLY 23 9.598 -5.800 4.998
178 HA3 GLY 23 HA3 GLY 23 8.910 -7.060 3.972
179 H PHE 24 H PHE 24 9.664 -5.992 1.448
180 HA PHE 24 HA PHE 24 12.343 -6.986 1.152
181 HB2 PHE 24 HB2 PHE 24 10.158 -5.971 -0.439
182 HB3 PHE 24 HB3 PHE 24 11.659 -5.221 -0.982
183 HD1 PHE 24 HD1 PHE 24 10.234 -8.564 -0.056
184 HD2 PHE 24 HD2 PHE 24 13.081 -6.387 -2.424
185 HE1 PHE 24 HE2 PHE 24 10.865 -10.660 -1.227
186 HE2 PHE 24 HE1 PHE 24 13.710 -8.481 -3.595
187 HZ PHE 24 HZ PHE 24 12.603 -10.617 -2.996
188 H PHE 25 H PHE 25 11.016 -3.672 1.313
189 HA PHE 25 HA PHE 25 13.395 -2.193 0.845
190 HB2 PHE 25 HB2 PHE 25 10.882 -1.530 1.134
191 HB3 PHE 25 HB3 PHE 25 11.279 -1.408 2.848
192 HD1 PHE 25 HD1 PHE 25 11.885 -0.011 -0.506
193 HD2 PHE 25 HD2 PHE 25 12.808 0.305 3.676
194 HE1 PHE 25 HE2 PHE 25 12.875 2.229 -0.894
195 HE2 PHE 25 HE1 PHE 25 13.797 2.546 3.289
196 HZ PHE 25 HZ PHE 25 13.831 3.508 1.003
197 H ALA 26 H ALA 26 12.083 -3.551 3.879
198 HA ALA 26 HA ALA 26 14.141 -2.476 5.608
199 HB1 ALA 26 HB1 ALA 26 12.118 -4.724 5.763
200 HB2 ALA 26 HB2 ALA 26 12.049 -3.144 6.544
201 HB3 ALA 26 HB3 ALA 26 13.202 -4.354 7.105
202 H HIS 27 H HIS 27 13.774 -5.511 3.787
203 HA HIS 27 HA HIS 27 16.143 -6.783 4.917
204 HB2 HIS 27 HB2 HIS 27 14.039 -7.299 2.902
205 HB3 HIS 27 HB3 HIS 27 15.586 -8.071 2.559
206 HD1 HIS 27 HD1 HIS 27 16.640 -9.348 4.808
207 HD2 HIS 27 HD2 HIS 27 12.515 -8.772 4.668
208 HE1 HIS 27 HE1 HIS 27 15.632 -10.971 6.472
209 H LEU 28 H LEU 28 15.549 -4.554 2.279
210 HA LEU 28 HA LEU 28 18.175 -5.094 1.015
211 HB2 LEU 28 HB2 LEU 28 15.611 -3.766 0.373
212 HB3 LEU 28 HB3 LEU 28 17.031 -2.942 -0.265
213 HG LEU 28 HG LEU 28 16.152 -4.597 -1.878
214 HD11 LEU 28 HD11 LEU 28 18.240 -5.371 -2.517
215 HD12 LEU 28 HD12 LEU 28 18.693 -5.819 -0.873
216 HD13 LEU 28 HD13 LEU 28 18.714 -4.125 -1.361
217 HD21 LEU 28 HD21 LEU 28 16.859 -6.641 0.253
218 HD22 LEU 28 HD22 LEU 28 16.236 -6.988 -1.359
219 HD23 LEU 28 HD23 LEU 28 15.217 -6.165 -0.179
220 H LEU 29 H LEU 29 18.637 -4.248 3.560
221 HA LEU 29 HA LEU 29 18.750 -1.425 4.025
222 HB2 LEU 29 HB2 LEU 29 20.122 -3.890 5.068
223 HB3 LEU 29 HB3 LEU 29 20.687 -2.304 5.595
224 HG LEU 29 HG LEU 29 17.749 -2.693 5.659
225 HD11 LEU 29 HD11 LEU 29 19.652 -4.211 7.460
226 HD12 LEU 29 HD12 LEU 29 18.337 -4.868 6.485
227 HD13 LEU 29 HD13 LEU 29 17.977 -3.878 7.898
228 HD21 LEU 29 HD21 LEU 29 19.460 -1.788 7.947
229 HD22 LEU 29 HD22 LEU 29 17.891 -1.184 7.417
230 HD23 LEU 29 HD23 LEU 29 19.349 -0.752 6.525
231 HA PRO 30 HA PRO 30 22.096 -0.345 1.322
232 HB2 PRO 30 HB2 PRO 30 22.676 2.108 2.384
233 HB3 PRO 30 HB3 PRO 30 21.253 1.808 1.368
234 HG2 PRO 30 HG2 PRO 30 21.450 2.053 4.322
235 HG3 PRO 30 HG3 PRO 30 20.177 2.607 3.225
236 HD2 PRO 30 HD2 PRO 30 19.999 0.349 4.766
237 HD3 PRO 30 HD3 PRO 30 19.105 0.594 3.250
238 H ARG 31 H ARG 31 24.453 0.056 1.463
239 HA ARG 31 HA ARG 31 25.715 -0.166 4.136
240 HB2 ARG 31 HB2 ARG 31 27.009 -2.191 3.286
241 HB3 ARG 31 HB3 ARG 31 25.299 -2.473 3.605
242 HG2 ARG 31 HG2 ARG 31 24.767 -2.669 1.362
243 HG3 ARG 31 HG3 ARG 31 26.078 -1.607 0.849
244 HD2 ARG 31 HD2 ARG 31 27.152 -3.974 2.150
245 HD3 ARG 31 HD3 ARG 31 26.101 -4.419 0.790
246 HE ARG 31 HE ARG 31 27.556 -3.219 -0.693
247 HH11 ARG 31 HH11 ARG 31 29.732 -4.422 0.942
248 HH12 ARG 31 HH12 ARG 31 30.691 -3.043 1.368
249 HH21 ARG 31 HH21 ARG 31 28.204 -0.745 0.579
250 HH22 ARG 31 HH22 ARG 31 29.820 -0.954 1.164
Start of MODEL 31
1 HA ASP 1 HA ASP 1 -22.080 0.557 -0.141
2 HB2 ASP 1 HB2 ASP 1 -24.530 0.852 -1.883
3 HB3 ASP 1 HB3 ASP 1 -22.969 0.435 -2.590
4 H THR 2 H THR 2 -20.435 1.691 -1.221
5 HA THR 2 HA THR 2 -21.027 4.297 -2.502
6 HB THR 2 HB THR 2 -20.816 4.840 -0.126
7 HG1 THR 2 HG1 THR 2 -19.516 6.453 -0.524
8 HG21 THR 2 HG21 THR 2 -18.061 3.586 -0.216
9 HG22 THR 2 HG22 THR 2 -19.478 2.762 0.435
10 HG23 THR 2 HG23 THR 2 -18.893 4.244 1.192
11 H GLU 3 H GLU 3 -19.612 4.658 -4.177
12 HA GLU 3 HA GLU 3 -17.007 3.187 -4.210
13 HB2 GLU 3 HB2 GLU 3 -19.003 2.063 -5.432
14 HB3 GLU 3 HB3 GLU 3 -18.847 3.372 -6.603
15 HG2 GLU 3 HG2 GLU 3 -17.454 1.760 -7.547
16 HG3 GLU 3 HG3 GLU 3 -16.300 2.686 -6.588
17 H ILE 4 H ILE 4 -15.657 4.976 -4.150
18 HA ILE 4 HA ILE 4 -16.235 7.525 -5.378
19 HB ILE 4 HB ILE 4 -13.649 6.214 -4.460
20 HG12 ILE 4 HG12 ILE 4 -15.313 6.423 -2.668
21 HG13 ILE 4 HG13 ILE 4 -14.021 7.593 -2.418
22 HG21 ILE 4 HG21 ILE 4 -14.310 9.040 -5.294
23 HG22 ILE 4 HG22 ILE 4 -12.975 8.022 -5.833
24 HG23 ILE 4 HG23 ILE 4 -12.970 8.692 -4.202
25 HD11 ILE 4 HD11 ILE 4 -15.680 9.107 -3.910
26 HD12 ILE 4 HD12 ILE 4 -15.798 9.023 -2.153
27 HD13 ILE 4 HD13 ILE 4 -16.869 8.045 -3.155
28 H ILE 5 H ILE 5 -14.227 4.747 -6.383
29 HA ILE 5 HA ILE 5 -13.446 4.075 -8.495
30 HB ILE 5 HB ILE 5 -15.469 6.138 -9.433
31 HG12 ILE 5 HG12 ILE 5 -15.888 3.153 -9.260
32 HG13 ILE 5 HG13 ILE 5 -16.219 4.190 -7.872
33 HG21 ILE 5 HG21 ILE 5 -15.508 4.669 -11.476
34 HG22 ILE 5 HG22 ILE 5 -14.114 3.810 -10.820
35 HG23 ILE 5 HG23 ILE 5 -13.982 5.518 -11.237
36 HD11 ILE 5 HD11 ILE 5 -18.089 5.067 -8.818
37 HD12 ILE 5 HD12 ILE 5 -18.025 3.649 -9.865
38 HD13 ILE 5 HD13 ILE 5 -17.343 5.181 -10.412
39 H GLY 6 H GLY 6 -11.395 4.657 -9.005
40 HA2 GLY 6 HA2 GLY 6 -10.763 7.550 -9.400
41 HA3 GLY 6 HA3 GLY 6 -9.576 6.302 -9.014
42 H GLY 7 H GLY 7 -9.153 4.656 -10.704
43 HA2 GLY 7 HA2 GLY 7 -9.211 5.890 -13.398
44 HA3 GLY 7 HA3 GLY 7 -8.256 4.481 -12.928
45 H LEU 8 H LEU 8 -10.043 2.762 -11.877
46 HA LEU 8 HA LEU 8 -12.473 2.522 -13.492
47 HB2 LEU 8 HB2 LEU 8 -10.152 1.750 -14.703
48 HB3 LEU 8 HB3 LEU 8 -10.614 0.245 -13.909
49 HG LEU 8 HG LEU 8 -12.631 1.818 -15.502
50 HD11 LEU 8 HD11 LEU 8 -12.057 0.416 -17.457
51 HD12 LEU 8 HD12 LEU 8 -10.700 -0.270 -16.563
52 HD13 LEU 8 HD13 LEU 8 -10.701 1.442 -16.988
53 HD21 LEU 8 HD21 LEU 8 -13.702 -0.368 -15.692
54 HD22 LEU 8 HD22 LEU 8 -13.341 -0.055 -13.995
55 HD23 LEU 8 HD23 LEU 8 -12.316 -1.147 -14.927
56 H THR 9 H THR 9 -10.141 0.366 -11.869
57 HA THR 9 HA THR 9 -12.073 -0.206 -9.699
58 HB THR 9 HB THR 9 -11.579 -2.743 -10.302
59 HG1 THR 9 HG1 THR 9 -11.553 -1.618 -12.887
60 HG21 THR 9 HG21 THR 9 -13.781 -1.370 -10.364
61 HG22 THR 9 HG22 THR 9 -13.702 -2.863 -11.300
62 HG23 THR 9 HG23 THR 9 -13.514 -1.306 -12.107
63 H ILE 10 H ILE 10 -10.989 -0.874 -7.820
64 HA ILE 10 HA ILE 10 -8.111 -1.611 -8.042
65 HB ILE 10 HB ILE 10 -8.180 0.799 -7.789
66 HG12 ILE 10 HG12 ILE 10 -6.694 -0.827 -6.251
67 HG13 ILE 10 HG13 ILE 10 -6.595 0.926 -6.134
68 HG21 ILE 10 HG21 ILE 10 -9.957 0.288 -5.385
69 HG22 ILE 10 HG22 ILE 10 -10.434 1.061 -6.897
70 HG23 ILE 10 HG23 ILE 10 -9.282 1.856 -5.824
71 HD11 ILE 10 HD11 ILE 10 -8.178 0.914 -4.257
72 HD12 ILE 10 HD12 ILE 10 -6.809 -0.139 -3.902
73 HD13 ILE 10 HD13 ILE 10 -8.351 -0.835 -4.394
74 HA PRO 11 HA PRO 11 -9.778 -4.389 -4.969
75 HB2 PRO 11 HB2 PRO 11 -7.682 -6.140 -5.017
76 HB3 PRO 11 HB3 PRO 11 -8.937 -6.104 -6.269
77 HG2 PRO 11 HG2 PRO 11 -6.154 -5.139 -6.366
78 HG3 PRO 11 HG3 PRO 11 -7.198 -5.718 -7.670
79 HD2 PRO 11 HD2 PRO 11 -6.590 -3.039 -7.067
80 HD3 PRO 11 HD3 PRO 11 -7.840 -3.616 -8.188
81 HA PRO 12 HA PRO 12 -7.616 -3.079 -1.336
82 HB2 PRO 12 HB2 PRO 12 -8.244 -5.108 0.388
83 HB3 PRO 12 HB3 PRO 12 -9.412 -3.874 -0.120
84 HG2 PRO 12 HG2 PRO 12 -9.088 -6.675 -1.063
85 HG3 PRO 12 HG3 PRO 12 -10.564 -5.733 -0.802
86 HD2 PRO 12 HD2 PRO 12 -9.455 -6.190 -3.263
87 HD3 PRO 12 HD3 PRO 12 -10.482 -4.791 -2.878
88 H VAL 13 H VAL 13 -6.874 -6.119 -2.857
89 HA VAL 13 HA VAL 13 -4.823 -7.168 -1.197
90 HB VAL 13 HB VAL 13 -5.180 -7.141 -4.215
91 HG11 VAL 13 HG11 VAL 13 -3.299 -8.653 -2.407
92 HG12 VAL 13 HG12 VAL 13 -2.948 -7.833 -3.929
93 HG13 VAL 13 HG13 VAL 13 -3.837 -9.357 -3.933
94 HG21 VAL 13 HG21 VAL 13 -5.886 -9.611 -3.449
95 HG22 VAL 13 HG22 VAL 13 -7.044 -8.281 -3.459
96 HG23 VAL 13 HG23 VAL 13 -6.267 -8.763 -1.951
97 H VAL 14 H VAL 14 -4.716 -4.516 -3.573
98 HA VAL 14 HA VAL 14 -1.902 -4.227 -3.841
99 HB VAL 14 HB VAL 14 -2.460 -1.895 -4.457
100 HG11 VAL 14 HG11 VAL 14 -3.617 -2.471 -6.368
101 HG12 VAL 14 HG12 VAL 14 -4.791 -3.452 -5.493
102 HG13 VAL 14 HG13 VAL 14 -3.174 -4.082 -5.807
103 HG21 VAL 14 HG21 VAL 14 -4.993 -2.571 -2.986
104 HG22 VAL 14 HG22 VAL 14 -5.050 -1.414 -4.315
105 HG23 VAL 14 HG23 VAL 14 -4.023 -1.100 -2.917
106 H ALA 15 H ALA 15 -4.086 -3.073 -1.276
107 HA ALA 15 HA ALA 15 -2.094 -1.502 0.135
108 HB1 ALA 15 HB1 ALA 15 -3.856 -1.669 1.951
109 HB2 ALA 15 HB2 ALA 15 -4.747 -2.767 0.899
110 HB3 ALA 15 HB3 ALA 15 -4.475 -1.098 0.401
111 H LEU 16 H LEU 16 -3.315 -4.841 0.399
112 HA LEU 16 HA LEU 16 -1.895 -5.606 2.767
113 HB2 LEU 16 HB2 LEU 16 -3.715 -6.706 0.995
114 HB3 LEU 16 HB3 LEU 16 -2.268 -7.659 0.678
115 HG LEU 16 HG LEU 16 -3.573 -8.731 2.441
116 HD11 LEU 16 HD11 LEU 16 -1.193 -7.351 3.711
117 HD12 LEU 16 HD12 LEU 16 -1.050 -8.694 2.577
118 HD13 LEU 16 HD13 LEU 16 -1.859 -8.930 4.126
119 HD21 LEU 16 HD21 LEU 16 -3.184 -6.234 4.105
120 HD22 LEU 16 HD22 LEU 16 -4.209 -7.624 4.458
121 HD23 LEU 16 HD23 LEU 16 -4.644 -6.516 3.158
122 H VAL 17 H VAL 17 -0.980 -5.612 -0.681
123 HA VAL 17 HA VAL 17 1.544 -6.989 -0.340
124 HB VAL 17 HB VAL 17 0.544 -5.038 -2.449
125 HG11 VAL 17 HG11 VAL 17 2.725 -7.131 -2.684
126 HG12 VAL 17 HG12 VAL 17 3.046 -5.423 -2.385
127 HG13 VAL 17 HG13 VAL 17 2.268 -5.924 -3.886
128 HG21 VAL 17 HG21 VAL 17 -0.613 -6.762 -3.373
129 HG22 VAL 17 HG22 VAL 17 -0.468 -7.524 -1.790
130 HG23 VAL 17 HG23 VAL 17 0.686 -7.913 -3.065
131 H VAL 18 H VAL 18 0.588 -3.546 -0.350
132 HA VAL 18 HA VAL 18 3.194 -2.381 -0.253
133 HB VAL 18 HB VAL 18 0.465 -1.565 0.791
134 HG11 VAL 18 HG11 VAL 18 2.035 -0.328 2.134
135 HG12 VAL 18 HG12 VAL 18 1.470 0.764 0.869
136 HG13 VAL 18 HG13 VAL 18 3.056 0.006 0.735
137 HG21 VAL 18 HG21 VAL 18 0.163 -0.583 -1.258
138 HG22 VAL 18 HG22 VAL 18 1.349 -1.785 -1.766
139 HG23 VAL 18 HG23 VAL 18 1.863 -0.136 -1.409
140 H MET 19 H MET 19 1.054 -3.569 2.352
141 HA MET 19 HA MET 19 2.660 -2.728 4.578
142 HB2 MET 19 HB2 MET 19 0.259 -3.520 4.558
143 HB3 MET 19 HB3 MET 19 0.859 -5.162 4.324
144 HG2 MET 19 HG2 MET 19 2.312 -4.686 6.433
145 HG3 MET 19 HG3 MET 19 1.182 -3.363 6.720
146 HE1 MET 19 HE1 MET 19 0.641 -6.957 8.761
147 HE2 MET 19 HE2 MET 19 1.441 -5.395 8.927
148 HE3 MET 19 HE3 MET 19 2.071 -6.583 7.789
149 H SER 20 H SER 20 2.650 -5.721 2.625
150 HA SER 20 HA SER 20 4.760 -7.005 4.201
151 HB2 SER 20 HB2 SER 20 2.816 -7.977 2.719
152 HB3 SER 20 HB3 SER 20 3.949 -7.737 1.392
153 HG SER 20 HG SER 20 5.381 -9.108 2.391
154 H ARG 21 H ARG 21 4.582 -4.946 1.346
155 HA ARG 21 HA ARG 21 7.085 -5.463 0.120
156 HB2 ARG 21 HB2 ARG 21 4.933 -3.715 -0.152
157 HB3 ARG 21 HB3 ARG 21 6.293 -2.643 0.178
158 HG2 ARG 21 HG2 ARG 21 7.459 -4.315 -1.601
159 HG3 ARG 21 HG3 ARG 21 5.791 -4.398 -2.167
160 HD2 ARG 21 HD2 ARG 21 7.121 -1.736 -1.603
161 HD3 ARG 21 HD3 ARG 21 7.256 -2.529 -3.184
162 HE ARG 21 HE ARG 21 4.699 -1.621 -1.936
163 HH11 ARG 21 HH11 ARG 21 5.719 -0.470 -4.517
164 HH12 ARG 21 HH12 ARG 21 4.801 -1.350 -5.693
165 HH21 ARG 21 HH21 ARG 21 3.842 -3.839 -3.466
166 HH22 ARG 21 HH22 ARG 21 3.734 -3.264 -5.096
167 H PHE 22 H PHE 22 6.332 -3.578 3.030
168 HA PHE 22 HA PHE 22 8.627 -1.987 3.327
169 HB2 PHE 22 HB2 PHE 22 6.538 -2.188 4.778
170 HB3 PHE 22 HB3 PHE 22 7.295 -3.594 5.527
171 HD1 PHE 22 HD1 PHE 22 7.698 0.054 4.896
172 HD2 PHE 22 HD2 PHE 22 9.025 -3.352 7.153
173 HE1 PHE 22 HE1 PHE 22 9.004 1.547 6.383
174 HE2 PHE 22 HE2 PHE 22 10.332 -1.858 8.639
175 HZ PHE 22 HZ PHE 22 10.321 0.591 8.255
176 H GLY 23 H GLY 23 8.228 -5.397 4.399
177 HA2 GLY 23 HA2 GLY 23 10.914 -5.706 5.362
178 HA3 GLY 23 HA3 GLY 23 9.835 -7.031 4.918
179 H PHE 24 H PHE 24 9.394 -6.454 2.217
180 HA PHE 24 HA PHE 24 11.678 -7.587 0.925
181 HB2 PHE 24 HB2 PHE 24 9.011 -6.822 0.330
182 HB3 PHE 24 HB3 PHE 24 10.026 -5.996 -0.849
183 HD1 PHE 24 HD1 PHE 24 9.806 -9.369 0.805
184 HD2 PHE 24 HD2 PHE 24 10.524 -7.151 -2.805
185 HE1 PHE 24 HE1 PHE 24 10.089 -11.492 -0.446
186 HE2 PHE 24 HE2 PHE 24 10.807 -9.275 -4.053
187 HZ PHE 24 HZ PHE 24 10.589 -11.445 -2.874
188 H PHE 25 H PHE 25 10.561 -4.203 1.193
189 HA PHE 25 HA PHE 25 12.558 -3.002 -0.474
190 HB2 PHE 25 HB2 PHE 25 10.360 -2.081 0.545
191 HB3 PHE 25 HB3 PHE 25 11.320 -1.757 1.988
192 HD1 PHE 25 HD1 PHE 25 10.809 -0.899 -1.563
193 HD2 PHE 25 HD2 PHE 25 13.071 -0.060 1.990
194 HE1 PHE 25 HE2 PHE 25 11.677 1.178 -2.606
195 HE2 PHE 25 HE1 PHE 25 13.938 2.016 0.948
196 HZ PHE 25 HZ PHE 25 13.242 2.634 -1.350
197 H ALA 26 H ALA 26 12.527 -3.809 3.006
198 HA ALA 26 HA ALA 26 14.958 -2.514 3.764
199 HB1 ALA 26 HB1 ALA 26 13.196 -3.519 5.248
200 HB2 ALA 26 HB2 ALA 26 14.830 -4.028 5.677
201 HB3 ALA 26 HB3 ALA 26 13.773 -5.119 4.781
202 H HIS 27 H HIS 27 14.343 -5.678 2.261
203 HA HIS 27 HA HIS 27 17.167 -6.500 2.412
204 HB2 HIS 27 HB2 HIS 27 14.881 -7.861 2.422
205 HB3 HIS 27 HB3 HIS 27 15.091 -7.794 0.672
206 HD1 HIS 27 HD1 HIS 27 17.853 -8.371 0.058
207 HD2 HIS 27 HD2 HIS 27 16.083 -10.133 3.396
208 HE1 HIS 27 HE1 HIS 27 19.251 -10.406 0.619
209 H LEU 28 H LEU 28 14.994 -4.997 0.064
210 HA LEU 28 HA LEU 28 16.982 -5.268 -2.125
211 HB2 LEU 28 HB2 LEU 28 14.125 -4.329 -1.835
212 HB3 LEU 28 HB3 LEU 28 15.031 -4.019 -3.317
213 HG LEU 28 HG LEU 28 15.061 -6.799 -2.214
214 HD11 LEU 28 HD11 LEU 28 12.661 -5.355 -3.168
215 HD12 LEU 28 HD12 LEU 28 12.782 -6.812 -2.182
216 HD13 LEU 28 HD13 LEU 28 12.947 -6.917 -3.935
217 HD21 LEU 28 HD21 LEU 28 15.204 -7.357 -4.587
218 HD22 LEU 28 HD22 LEU 28 16.379 -6.095 -4.224
219 HD23 LEU 28 HD23 LEU 28 14.867 -5.684 -5.032
220 H LEU 29 H LEU 29 18.056 -3.741 -0.110
221 HA LEU 29 HA LEU 29 17.500 -0.890 -0.457
222 HB2 LEU 29 HB2 LEU 29 19.421 -0.679 1.112
223 HB3 LEU 29 HB3 LEU 29 18.242 -1.859 1.680
224 HG LEU 29 HG LEU 29 20.150 -3.192 -0.015
225 HD11 LEU 29 HD11 LEU 29 21.763 -1.487 0.484
226 HD12 LEU 29 HD12 LEU 29 22.135 -2.853 1.536
227 HD13 LEU 29 HD13 LEU 29 21.288 -1.447 2.182
228 HD21 LEU 29 HD21 LEU 29 20.537 -4.471 2.111
229 HD22 LEU 29 HD22 LEU 29 18.832 -4.312 1.696
230 HD23 LEU 29 HD23 LEU 29 19.531 -3.293 2.954
231 HA PRO 30 HA PRO 30 20.255 -0.229 -3.846
232 HB2 PRO 30 HB2 PRO 30 20.691 2.454 -3.542
233 HB3 PRO 30 HB3 PRO 30 19.162 1.787 -4.146
234 HG2 PRO 30 HG2 PRO 30 19.839 2.832 -1.452
235 HG3 PRO 30 HG3 PRO 30 18.324 2.940 -2.359
236 HD2 PRO 30 HD2 PRO 30 18.790 1.176 -0.298
237 HD3 PRO 30 HD3 PRO 30 17.567 0.948 -1.566
238 H ARG 31 H ARG 31 22.443 1.315 -4.096
239 HA ARG 31 HA ARG 31 24.462 0.041 -2.475
240 HB2 ARG 31 HB2 ARG 31 24.384 2.349 -4.430
241 HB3 ARG 31 HB3 ARG 31 25.885 1.855 -3.649
242 HG2 ARG 31 HG2 ARG 31 25.326 -0.523 -4.473
243 HG3 ARG 31 HG3 ARG 31 24.143 0.255 -5.526
244 HD2 ARG 31 HD2 ARG 31 26.797 1.545 -5.587
245 HD3 ARG 31 HD3 ARG 31 26.788 -0.122 -6.195
246 HE ARG 31 HE ARG 31 25.127 0.526 -7.849
247 HH11 ARG 31 HH11 ARG 31 23.616 2.622 -6.433
248 HH12 ARG 31 HH12 ARG 31 24.177 4.083 -7.174
249 HH21 ARG 31 HH21 ARG 31 27.007 2.606 -8.554
250 HH22 ARG 31 HH22 ARG 31 26.105 4.074 -8.381
Start of MODEL 32
1 HA ASP 1 HA ASP 1 -14.761 11.650 -2.114
2 HB2 ASP 1 HB2 ASP 1 -12.647 11.421 -0.023
3 HB3 ASP 1 HB3 ASP 1 -14.128 10.503 0.252
4 H THR 2 H THR 2 -16.860 11.846 -1.401
5 HA THR 2 HA THR 2 -17.370 13.567 1.005
6 HB THR 2 HB THR 2 -18.081 14.201 -1.428
7 HG1 THR 2 HG1 THR 2 -19.856 15.221 -0.583
8 HG21 THR 2 HG21 THR 2 -19.065 11.832 -1.751
9 HG22 THR 2 HG22 THR 2 -20.030 13.197 -2.312
10 HG23 THR 2 HG23 THR 2 -20.423 12.409 -0.784
11 H GLU 3 H GLU 3 -19.481 12.947 2.152
12 HA GLU 3 HA GLU 3 -20.633 11.334 3.441
13 HB2 GLU 3 HB2 GLU 3 -20.608 10.252 0.615
14 HB3 GLU 3 HB3 GLU 3 -21.510 9.454 1.904
15 HG2 GLU 3 HG2 GLU 3 -22.788 11.498 2.321
16 HG3 GLU 3 HG3 GLU 3 -21.845 12.361 1.106
17 H ILE 4 H ILE 4 -18.349 10.975 4.451
18 HA ILE 4 HA ILE 4 -16.672 8.799 3.746
19 HB ILE 4 HB ILE 4 -16.168 10.637 5.348
20 HG12 ILE 4 HG12 ILE 4 -15.927 8.039 6.853
21 HG13 ILE 4 HG13 ILE 4 -15.056 8.276 5.338
22 HG21 ILE 4 HG21 ILE 4 -18.459 10.496 6.472
23 HG22 ILE 4 HG22 ILE 4 -17.081 10.679 7.558
24 HG23 ILE 4 HG23 ILE 4 -17.836 9.099 7.352
25 HD11 ILE 4 HD11 ILE 4 -13.564 8.965 7.084
26 HD12 ILE 4 HD12 ILE 4 -14.826 9.908 7.877
27 HD13 ILE 4 HD13 ILE 4 -14.162 10.444 6.333
28 H ILE 5 H ILE 5 -19.579 8.836 5.832
29 HA ILE 5 HA ILE 5 -20.784 7.062 6.832
30 HB ILE 5 HB ILE 5 -19.904 5.778 4.220
31 HG12 ILE 5 HG12 ILE 5 -20.852 8.044 3.877
32 HG13 ILE 5 HG13 ILE 5 -21.936 6.801 3.262
33 HG21 ILE 5 HG21 ILE 5 -21.021 4.081 5.360
34 HG22 ILE 5 HG22 ILE 5 -22.362 4.862 4.523
35 HG23 ILE 5 HG23 ILE 5 -22.065 5.207 6.227
36 HD11 ILE 5 HD11 ILE 5 -23.250 6.921 5.362
37 HD12 ILE 5 HD12 ILE 5 -23.202 8.478 4.535
38 HD13 ILE 5 HD13 ILE 5 -22.181 8.197 5.945
39 H GLY 6 H GLY 6 -18.518 7.064 8.177
40 HA2 GLY 6 HA2 GLY 6 -17.631 5.289 9.629
41 HA3 GLY 6 HA3 GLY 6 -17.641 4.208 8.235
42 H GLY 7 H GLY 7 -16.222 5.079 6.332
43 HA2 GLY 7 HA2 GLY 7 -14.238 6.397 5.706
44 HA3 GLY 7 HA3 GLY 7 -13.764 6.401 7.405
45 H LEU 8 H LEU 8 -14.304 4.172 4.666
46 HA LEU 8 HA LEU 8 -11.830 2.719 5.338
47 HB2 LEU 8 HB2 LEU 8 -13.118 0.550 5.576
48 HB3 LEU 8 HB3 LEU 8 -13.383 1.696 6.887
49 HG LEU 8 HG LEU 8 -15.252 2.058 4.648
50 HD11 LEU 8 HD11 LEU 8 -15.340 -0.513 6.256
51 HD12 LEU 8 HD12 LEU 8 -14.972 -0.399 4.534
52 HD13 LEU 8 HD13 LEU 8 -16.575 0.040 5.126
53 HD21 LEU 8 HD21 LEU 8 -16.687 2.623 6.360
54 HD22 LEU 8 HD22 LEU 8 -15.167 2.823 7.229
55 HD23 LEU 8 HD23 LEU 8 -16.099 1.339 7.416
56 H THR 9 H THR 9 -12.501 4.161 2.996
57 HA THR 9 HA THR 9 -13.368 2.177 0.962
58 HB THR 9 HB THR 9 -12.457 5.045 0.583
59 HG1 THR 9 HG1 THR 9 -14.503 5.674 1.047
60 HG21 THR 9 HG21 THR 9 -12.801 3.483 -1.399
61 HG22 THR 9 HG22 THR 9 -13.760 4.963 -1.421
62 HG23 THR 9 HG23 THR 9 -14.507 3.436 -0.952
63 H ILE 10 H ILE 10 -11.329 0.871 1.515
64 HA ILE 10 HA ILE 10 -9.091 1.769 -0.249
65 HB ILE 10 HB ILE 10 -7.572 0.803 1.610
66 HG12 ILE 10 HG12 ILE 10 -9.971 1.424 3.351
67 HG13 ILE 10 HG13 ILE 10 -9.605 -0.216 2.814
68 HG21 ILE 10 HG21 ILE 10 -8.994 3.238 2.608
69 HG22 ILE 10 HG22 ILE 10 -8.232 3.309 1.019
70 HG23 ILE 10 HG23 ILE 10 -7.264 2.936 2.444
71 HD11 ILE 10 HD11 ILE 10 -7.332 -0.001 3.815
72 HD12 ILE 10 HD12 ILE 10 -8.615 0.153 5.016
73 HD13 ILE 10 HD13 ILE 10 -7.781 1.591 4.427
74 HA PRO 11 HA PRO 11 -9.483 -2.412 -1.632
75 HB2 PRO 11 HB2 PRO 11 -7.145 -2.583 -3.044
76 HB3 PRO 11 HB3 PRO 11 -8.563 -1.691 -3.625
77 HG2 PRO 11 HG2 PRO 11 -6.074 -0.670 -2.366
78 HG3 PRO 11 HG3 PRO 11 -7.054 0.030 -3.662
79 HD2 PRO 11 HD2 PRO 11 -7.117 0.873 -1.055
80 HD3 PRO 11 HD3 PRO 11 -8.456 1.078 -2.205
81 HA PRO 12 HA PRO 12 -7.091 -4.427 1.560
82 HB2 PRO 12 HB2 PRO 12 -8.058 -6.954 1.149
83 HB3 PRO 12 HB3 PRO 12 -8.971 -5.691 1.997
84 HG2 PRO 12 HG2 PRO 12 -9.241 -6.667 -0.796
85 HG3 PRO 12 HG3 PRO 12 -10.489 -6.143 0.344
86 HD2 PRO 12 HD2 PRO 12 -9.537 -4.600 -1.713
87 HD3 PRO 12 HD3 PRO 12 -10.268 -3.947 -0.231
88 H VAL 13 H VAL 13 -7.346 -5.941 -1.689
89 HA VAL 13 HA VAL 13 -5.010 -7.587 -1.505
90 HB VAL 13 HB VAL 13 -6.415 -6.259 -3.853
91 HG11 VAL 13 HG11 VAL 13 -4.380 -8.506 -3.773
92 HG12 VAL 13 HG12 VAL 13 -4.193 -6.939 -4.560
93 HG13 VAL 13 HG13 VAL 13 -5.357 -8.106 -5.185
94 HG21 VAL 13 HG21 VAL 13 -7.286 -8.683 -4.071
95 HG22 VAL 13 HG22 VAL 13 -7.955 -7.705 -2.766
96 HG23 VAL 13 HG23 VAL 13 -6.710 -8.904 -2.419
97 H VAL 14 H VAL 14 -5.440 -4.281 -2.830
98 HA VAL 14 HA VAL 14 -2.724 -3.849 -3.622
99 HB VAL 14 HB VAL 14 -4.975 -2.017 -2.735
100 HG11 VAL 14 HG11 VAL 14 -3.081 -0.650 -2.431
101 HG12 VAL 14 HG12 VAL 14 -3.563 -0.300 -4.091
102 HG13 VAL 14 HG13 VAL 14 -2.215 -1.392 -3.775
103 HG21 VAL 14 HG21 VAL 14 -5.400 -1.740 -5.066
104 HG22 VAL 14 HG22 VAL 14 -5.151 -3.472 -4.848
105 HG23 VAL 14 HG23 VAL 14 -3.858 -2.472 -5.511
106 H ALA 15 H ALA 15 -4.414 -3.179 -0.533
107 HA ALA 15 HA ALA 15 -2.243 -1.886 0.815
108 HB1 ALA 15 HB1 ALA 15 -4.676 -1.980 1.473
109 HB2 ALA 15 HB2 ALA 15 -3.576 -2.358 2.799
110 HB3 ALA 15 HB3 ALA 15 -4.427 -3.656 1.962
111 H LEU 16 H LEU 16 -3.174 -5.330 0.604
112 HA LEU 16 HA LEU 16 -1.224 -6.386 2.415
113 HB2 LEU 16 HB2 LEU 16 -3.311 -7.422 1.255
114 HB3 LEU 16 HB3 LEU 16 -2.218 -7.761 -0.086
115 HG LEU 16 HG LEU 16 -0.675 -8.808 1.735
116 HD11 LEU 16 HD11 LEU 16 -1.773 -8.095 3.732
117 HD12 LEU 16 HD12 LEU 16 -2.130 -9.817 3.588
118 HD13 LEU 16 HD13 LEU 16 -3.349 -8.622 3.141
119 HD21 LEU 16 HD21 LEU 16 -3.306 -10.133 0.995
120 HD22 LEU 16 HD22 LEU 16 -1.832 -10.966 1.489
121 HD23 LEU 16 HD23 LEU 16 -1.873 -10.076 -0.032
122 H VAL 17 H VAL 17 -1.013 -5.428 -0.983
123 HA VAL 17 HA VAL 17 1.614 -6.655 -1.421
124 HB VAL 17 HB VAL 17 -0.093 -4.655 -2.947
125 HG11 VAL 17 HG11 VAL 17 2.558 -5.939 -3.576
126 HG12 VAL 17 HG12 VAL 17 2.056 -4.263 -3.805
127 HG13 VAL 17 HG13 VAL 17 1.442 -5.522 -4.876
128 HG21 VAL 17 HG21 VAL 17 -1.065 -6.451 -3.980
129 HG22 VAL 17 HG22 VAL 17 -0.583 -7.297 -2.509
130 HG23 VAL 17 HG23 VAL 17 0.422 -7.399 -3.954
131 H VAL 18 H VAL 18 0.352 -3.408 -0.662
132 HA VAL 18 HA VAL 18 2.761 -1.913 -0.996
133 HB VAL 18 HB VAL 18 0.331 -1.609 0.794
134 HG11 VAL 18 HG11 VAL 18 2.044 -0.286 1.833
135 HG12 VAL 18 HG12 VAL 18 1.062 0.828 0.882
136 HG13 VAL 18 HG13 VAL 18 2.630 0.295 0.274
137 HG21 VAL 18 HG21 VAL 18 0.440 -1.490 -1.891
138 HG22 VAL 18 HG22 VAL 18 0.943 0.160 -1.530
139 HG23 VAL 18 HG23 VAL 18 -0.613 -0.435 -0.951
140 H MET 19 H MET 19 1.420 -3.462 1.962
141 HA MET 19 HA MET 19 3.595 -2.734 3.689
142 HB2 MET 19 HB2 MET 19 2.614 -4.414 5.174
143 HB3 MET 19 HB3 MET 19 1.322 -3.519 4.380
144 HG2 MET 19 HG2 MET 19 1.082 -5.339 2.723
145 HG3 MET 19 HG3 MET 19 2.364 -6.240 3.531
146 HE1 MET 19 HE1 MET 19 0.982 -7.696 6.604
147 HE2 MET 19 HE2 MET 19 2.119 -6.359 6.447
148 HE3 MET 19 HE3 MET 19 2.175 -7.694 5.299
149 H SER 20 H SER 20 3.116 -5.489 1.493
150 HA SER 20 HA SER 20 5.358 -7.065 2.393
151 HB2 SER 20 HB2 SER 20 3.479 -6.928 0.101
152 HB3 SER 20 HB3 SER 20 5.020 -7.710 -0.240
153 HG SER 20 HG SER 20 3.183 -9.003 0.695
154 H ARG 21 H ARG 21 4.995 -4.516 -0.080
155 HA ARG 21 HA ARG 21 7.603 -4.675 -1.240
156 HB2 ARG 21 HB2 ARG 21 5.471 -3.354 -1.909
157 HB3 ARG 21 HB3 ARG 21 6.036 -2.129 -0.773
158 HG2 ARG 21 HG2 ARG 21 7.264 -1.316 -2.491
159 HG3 ARG 21 HG3 ARG 21 8.316 -2.710 -2.242
160 HD2 ARG 21 HD2 ARG 21 7.719 -3.556 -4.257
161 HD3 ARG 21 HD3 ARG 21 6.006 -3.505 -3.800
162 HE ARG 21 HE ARG 21 6.109 -1.025 -4.424
163 HH11 ARG 21 HH11 ARG 21 5.983 -2.622 -6.900
164 HH12 ARG 21 HH12 ARG 21 7.345 -2.052 -7.805
165 HH21 ARG 21 HH21 ARG 21 8.889 -0.587 -5.056
166 HH22 ARG 21 HH22 ARG 21 8.996 -0.895 -6.756
167 H PHE 22 H PHE 22 6.394 -2.965 1.647
168 HA PHE 22 HA PHE 22 8.800 -1.504 2.251
169 HB2 PHE 22 HB2 PHE 22 6.331 -2.419 3.706
170 HB3 PHE 22 HB3 PHE 22 7.657 -1.719 4.634
171 HD1 PHE 22 HD1 PHE 22 8.700 0.496 3.507
172 HD2 PHE 22 HD2 PHE 22 4.702 -0.961 2.911
173 HE1 PHE 22 HE2 PHE 22 7.970 2.770 2.835
174 HE2 PHE 22 HE1 PHE 22 3.974 1.310 2.239
175 HZ PHE 22 HZ PHE 22 5.607 3.177 2.200
176 H GLY 23 H GLY 23 7.575 -4.695 3.319
177 HA2 GLY 23 HA2 GLY 23 9.756 -5.326 5.067
178 HA3 GLY 23 HA3 GLY 23 8.692 -6.512 4.307
179 H PHE 24 H PHE 24 9.255 -5.791 1.583
180 HA PHE 24 HA PHE 24 11.550 -7.398 1.015
181 HB2 PHE 24 HB2 PHE 24 9.464 -6.002 -0.348
182 HB3 PHE 24 HB3 PHE 24 10.987 -5.511 -1.089
183 HD1 PHE 24 HD1 PHE 24 8.817 -8.399 -0.267
184 HD2 PHE 24 HD2 PHE 24 12.344 -7.073 -2.330
185 HE1 PHE 24 HE1 PHE 24 8.938 -10.570 -1.459
186 HE2 PHE 24 HE2 PHE 24 12.464 -9.244 -3.521
187 HZ PHE 24 HZ PHE 24 10.761 -10.993 -3.085
188 H PHE 25 H PHE 25 11.135 -3.843 1.122
189 HA PHE 25 HA PHE 25 13.789 -3.123 0.316
190 HB2 PHE 25 HB2 PHE 25 11.646 -1.719 0.550
191 HB3 PHE 25 HB3 PHE 25 12.014 -1.641 2.273
192 HD1 PHE 25 HD1 PHE 25 13.311 -0.817 -1.117
193 HD2 PHE 25 HD2 PHE 25 13.726 -0.205 3.116
194 HE1 PHE 25 HE1 PHE 25 14.914 1.027 -1.540
195 HE2 PHE 25 HE2 PHE 25 15.328 1.640 2.691
196 HZ PHE 25 HZ PHE 25 15.922 2.257 0.363
197 H ALA 26 H ALA 26 12.377 -3.813 3.522
198 HA ALA 26 HA ALA 26 14.644 -3.117 5.125
199 HB1 ALA 26 HB1 ALA 26 12.214 -3.634 5.771
200 HB2 ALA 26 HB2 ALA 26 13.452 -4.305 6.832
201 HB3 ALA 26 HB3 ALA 26 12.652 -5.338 5.648
202 H HIS 27 H HIS 27 13.814 -6.077 3.349
203 HA HIS 27 HA HIS 27 16.028 -7.639 4.474
204 HB2 HIS 27 HB2 HIS 27 13.840 -7.953 2.453
205 HB3 HIS 27 HB3 HIS 27 15.214 -9.054 2.348
206 HD1 HIS 27 HD1 HIS 27 12.653 -7.856 4.903
207 HD2 HIS 27 HD2 HIS 27 15.139 -11.127 4.194
208 HE1 HIS 27 HE1 HIS 27 12.079 -9.587 6.659
209 H LEU 28 H LEU 28 15.405 -5.776 1.509
210 HA LEU 28 HA LEU 28 17.644 -6.597 -0.046
211 HB2 LEU 28 HB2 LEU 28 15.617 -4.517 0.011
212 HB3 LEU 28 HB3 LEU 28 17.158 -3.863 -0.541
213 HG LEU 28 HG LEU 28 17.295 -5.866 -2.118
214 HD11 LEU 28 HD11 LEU 28 14.317 -6.040 -1.637
215 HD12 LEU 28 HD12 LEU 28 15.456 -7.091 -0.794
216 HD13 LEU 28 HD13 LEU 28 15.342 -7.145 -2.553
217 HD21 LEU 28 HD21 LEU 28 16.791 -3.835 -3.176
218 HD22 LEU 28 HD22 LEU 28 15.260 -3.656 -2.316
219 HD23 LEU 28 HD23 LEU 28 15.407 -4.836 -3.619
220 H LEU 29 H LEU 29 17.393 -4.160 2.540
221 HA LEU 29 HA LEU 29 20.007 -2.995 2.150
222 HB2 LEU 29 HB2 LEU 29 17.807 -2.339 3.530
223 HB3 LEU 29 HB3 LEU 29 18.688 -3.127 4.836
224 HG LEU 29 HG LEU 29 19.147 -0.699 4.779
225 HD11 LEU 29 HD11 LEU 29 21.666 -2.005 3.798
226 HD12 LEU 29 HD12 LEU 29 20.927 -2.563 5.298
227 HD13 LEU 29 HD13 LEU 29 21.441 -0.884 5.140
228 HD21 LEU 29 HD21 LEU 29 20.604 -1.078 2.174
229 HD22 LEU 29 HD22 LEU 29 20.008 0.411 2.907
230 HD23 LEU 29 HD23 LEU 29 18.877 -0.720 2.166
231 HA PRO 30 HA PRO 30 22.106 -6.645 3.750
232 HB2 PRO 30 HB2 PRO 30 24.633 -5.761 3.176
233 HB3 PRO 30 HB3 PRO 30 23.556 -6.470 1.956
234 HG2 PRO 30 HG2 PRO 30 24.173 -3.609 2.500
235 HG3 PRO 30 HG3 PRO 30 23.948 -4.440 0.953
236 HD2 PRO 30 HD2 PRO 30 22.031 -2.892 2.114
237 HD3 PRO 30 HD3 PRO 30 21.668 -4.259 1.038
238 H ARG 31 H ARG 31 23.612 -6.998 5.562
239 HA ARG 31 HA ARG 31 24.211 -4.601 7.241
240 HB2 ARG 31 HB2 ARG 31 22.569 -7.047 7.933
241 HB3 ARG 31 HB3 ARG 31 23.306 -6.046 9.184
242 HG2 ARG 31 HG2 ARG 31 22.159 -4.050 8.105
243 HG3 ARG 31 HG3 ARG 31 21.260 -5.202 7.116
244 HD2 ARG 31 HD2 ARG 31 19.819 -5.591 8.818
245 HD3 ARG 31 HD3 ARG 31 21.162 -6.012 9.899
246 HE ARG 31 HE ARG 31 21.442 -3.571 10.341
247 HH11 ARG 31 HH11 ARG 31 18.763 -4.279 11.427
248 HH12 ARG 31 HH12 ARG 31 17.737 -3.076 10.720
249 HH21 ARG 31 HH21 ARG 31 20.048 -2.170 8.285
250 HH22 ARG 31 HH22 ARG 31 18.472 -1.872 8.936
Start of MODEL 33
1 HA ASP 1 HA ASP 1 -21.428 14.906 15.815
2 HB2 ASP 1 HB2 ASP 1 -19.558 13.023 17.140
3 HB3 ASP 1 HB3 ASP 1 -19.284 13.255 15.414
4 H THR 2 H THR 2 -20.505 13.662 13.644
5 HA THR 2 HA THR 2 -22.665 11.724 12.940
6 HB THR 2 HB THR 2 -20.719 13.166 11.117
7 HG1 THR 2 HG1 THR 2 -22.194 14.821 11.037
8 HG21 THR 2 HG21 THR 2 -23.561 12.472 10.471
9 HG22 THR 2 HG22 THR 2 -22.346 11.192 10.444
10 HG23 THR 2 HG23 THR 2 -22.169 12.600 9.395
11 H GLU 3 H GLU 3 -21.936 9.655 13.405
12 HA GLU 3 HA GLU 3 -19.124 8.881 13.040
13 HB2 GLU 3 HB2 GLU 3 -21.691 7.615 13.975
14 HB3 GLU 3 HB3 GLU 3 -20.304 6.588 13.613
15 HG2 GLU 3 HG2 GLU 3 -19.523 7.053 15.674
16 HG3 GLU 3 HG3 GLU 3 -19.255 8.708 15.128
17 H ILE 4 H ILE 4 -18.776 9.123 10.754
18 HA ILE 4 HA ILE 4 -20.463 7.472 8.931
19 HB ILE 4 HB ILE 4 -19.141 8.743 7.175
20 HG12 ILE 4 HG12 ILE 4 -18.276 10.724 9.208
21 HG13 ILE 4 HG13 ILE 4 -17.349 9.224 9.181
22 HG21 ILE 4 HG21 ILE 4 -21.369 9.471 8.085
23 HG22 ILE 4 HG22 ILE 4 -20.370 10.801 7.499
24 HG23 ILE 4 HG23 ILE 4 -20.509 10.499 9.231
25 HD11 ILE 4 HD11 ILE 4 -16.909 9.495 6.794
26 HD12 ILE 4 HD12 ILE 4 -16.404 10.951 7.652
27 HD13 ILE 4 HD13 ILE 4 -17.917 10.941 6.747
28 H ILE 5 H ILE 5 -19.546 5.423 9.758
29 HA ILE 5 HA ILE 5 -16.775 4.890 8.729
30 HB ILE 5 HB ILE 5 -17.256 4.896 11.247
31 HG12 ILE 5 HG12 ILE 5 -16.328 2.187 10.311
32 HG13 ILE 5 HG13 ILE 5 -15.385 3.630 9.937
33 HG21 ILE 5 HG21 ILE 5 -18.559 2.232 10.637
34 HG22 ILE 5 HG22 ILE 5 -19.483 3.701 10.957
35 HG23 ILE 5 HG23 ILE 5 -18.428 3.034 12.202
36 HD11 ILE 5 HD11 ILE 5 -15.104 4.155 12.262
37 HD12 ILE 5 HD12 ILE 5 -14.724 2.443 12.081
38 HD13 ILE 5 HD13 ILE 5 -16.283 2.934 12.741
39 H GLY 6 H GLY 6 -19.670 4.540 7.552
40 HA2 GLY 6 HA2 GLY 6 -19.828 1.623 7.205
41 HA3 GLY 6 HA3 GLY 6 -20.930 2.811 6.509
42 H GLY 7 H GLY 7 -17.507 1.782 6.247
43 HA2 GLY 7 HA2 GLY 7 -17.765 1.678 3.318
44 HA3 GLY 7 HA3 GLY 7 -16.653 2.906 3.923
45 H LEU 8 H LEU 8 -17.357 -0.585 4.247
46 HA LEU 8 HA LEU 8 -14.471 -1.048 4.882
47 HB2 LEU 8 HB2 LEU 8 -16.976 -2.734 5.189
48 HB3 LEU 8 HB3 LEU 8 -15.361 -3.258 5.666
49 HG LEU 8 HG LEU 8 -16.545 -0.682 6.706
50 HD11 LEU 8 HD11 LEU 8 -16.877 -3.493 7.780
51 HD12 LEU 8 HD12 LEU 8 -18.149 -2.344 7.363
52 HD13 LEU 8 HD13 LEU 8 -17.121 -2.050 8.765
53 HD21 LEU 8 HD21 LEU 8 -14.492 -2.590 7.866
54 HD22 LEU 8 HD22 LEU 8 -14.897 -0.981 8.463
55 HD23 LEU 8 HD23 LEU 8 -14.081 -1.167 6.911
56 H THR 9 H THR 9 -16.033 -0.756 2.104
57 HA THR 9 HA THR 9 -15.295 -3.355 0.872
58 HB THR 9 HB THR 9 -16.502 -0.882 -0.404
59 HG1 THR 9 HG1 THR 9 -18.398 -1.456 0.375
60 HG21 THR 9 HG21 THR 9 -15.682 -2.686 -1.906
61 HG22 THR 9 HG22 THR 9 -17.433 -2.498 -1.986
62 HG23 THR 9 HG23 THR 9 -16.731 -3.831 -1.070
63 H ILE 10 H ILE 10 -12.949 -2.542 1.566
64 HA ILE 10 HA ILE 10 -11.803 -0.823 -0.606
65 HB ILE 10 HB ILE 10 -9.975 -0.438 1.005
66 HG12 ILE 10 HG12 ILE 10 -11.104 -1.538 3.388
67 HG13 ILE 10 HG13 ILE 10 -11.021 -2.834 2.194
68 HG21 ILE 10 HG21 ILE 10 -12.495 -0.126 2.612
69 HG22 ILE 10 HG22 ILE 10 -12.314 0.752 1.093
70 HG23 ILE 10 HG23 ILE 10 -11.160 1.008 2.401
71 HD11 ILE 10 HD11 ILE 10 -8.726 -1.016 2.987
72 HD12 ILE 10 HD12 ILE 10 -8.644 -2.301 1.781
73 HD13 ILE 10 HD13 ILE 10 -8.922 -2.700 3.477
74 HA PRO 11 HA PRO 11 -9.607 -4.289 -2.186
75 HB2 PRO 11 HB2 PRO 11 -7.293 -3.128 -3.067
76 HB3 PRO 11 HB3 PRO 11 -8.855 -2.908 -3.878
77 HG2 PRO 11 HG2 PRO 11 -7.403 -1.079 -2.042
78 HG3 PRO 11 HG3 PRO 11 -8.380 -0.707 -3.470
79 HD2 PRO 11 HD2 PRO 11 -9.257 -0.427 -0.887
80 HD3 PRO 11 HD3 PRO 11 -10.326 -0.675 -2.285
81 HA PRO 12 HA PRO 12 -7.090 -5.229 1.449
82 HB2 PRO 12 HB2 PRO 12 -7.186 -7.946 1.136
83 HB3 PRO 12 HB3 PRO 12 -8.503 -7.010 1.868
84 HG2 PRO 12 HG2 PRO 12 -8.270 -8.119 -0.881
85 HG3 PRO 12 HG3 PRO 12 -9.689 -7.991 0.171
86 HD2 PRO 12 HD2 PRO 12 -9.172 -6.291 -1.911
87 HD3 PRO 12 HD3 PRO 12 -10.146 -5.855 -0.491
88 H VAL 13 H VAL 13 -6.687 -6.747 -1.764
89 HA VAL 13 HA VAL 13 -3.981 -7.630 -1.404
90 HB VAL 13 HB VAL 13 -4.011 -7.745 -3.898
91 HG11 VAL 13 HG11 VAL 13 -5.071 -9.511 -2.497
92 HG12 VAL 13 HG12 VAL 13 -5.854 -9.333 -4.068
93 HG13 VAL 13 HG13 VAL 13 -6.608 -8.656 -2.626
94 HG21 VAL 13 HG21 VAL 13 -6.108 -7.065 -5.070
95 HG22 VAL 13 HG22 VAL 13 -5.245 -5.688 -4.385
96 HG23 VAL 13 HG23 VAL 13 -6.676 -6.323 -3.574
97 H VAL 14 H VAL 14 -5.326 -4.525 -2.539
98 HA VAL 14 HA VAL 14 -2.906 -3.344 -3.493
99 HB VAL 14 HB VAL 14 -5.444 -2.247 -2.241
100 HG11 VAL 14 HG11 VAL 14 -3.047 -0.808 -3.381
101 HG12 VAL 14 HG12 VAL 14 -3.906 -0.486 -1.875
102 HG13 VAL 14 HG13 VAL 14 -4.653 -0.081 -3.421
103 HG21 VAL 14 HG21 VAL 14 -5.963 -1.669 -4.587
104 HG22 VAL 14 HG22 VAL 14 -5.657 -3.399 -4.422
105 HG23 VAL 14 HG23 VAL 14 -4.416 -2.343 -5.098
106 H ALA 15 H ALA 15 -4.434 -3.143 -0.251
107 HA ALA 15 HA ALA 15 -2.321 -1.640 0.996
108 HB1 ALA 15 HB1 ALA 15 -4.700 -1.978 1.783
109 HB2 ALA 15 HB2 ALA 15 -3.490 -2.257 3.036
110 HB3 ALA 15 HB3 ALA 15 -4.258 -3.626 2.232
111 H LEU 16 H LEU 16 -2.874 -5.116 0.524
112 HA LEU 16 HA LEU 16 -0.813 -6.102 2.269
113 HB2 LEU 16 HB2 LEU 16 -2.781 -7.308 1.161
114 HB3 LEU 16 HB3 LEU 16 -1.812 -7.335 -0.313
115 HG LEU 16 HG LEU 16 0.034 -8.337 1.299
116 HD11 LEU 16 HD11 LEU 16 -2.562 -9.109 2.667
117 HD12 LEU 16 HD12 LEU 16 -1.332 -8.043 3.343
118 HD13 LEU 16 HD13 LEU 16 -0.964 -9.744 3.057
119 HD21 LEU 16 HD21 LEU 16 -2.320 -9.676 -0.009
120 HD22 LEU 16 HD22 LEU 16 -1.155 -10.651 0.886
121 HD23 LEU 16 HD23 LEU 16 -0.623 -9.688 -0.493
122 H VAL 17 H VAL 17 -0.801 -5.174 -1.183
123 HA VAL 17 HA VAL 17 1.902 -6.024 -1.741
124 HB VAL 17 HB VAL 17 -0.005 -4.013 -2.981
125 HG11 VAL 17 HG11 VAL 17 1.555 -4.299 -5.008
126 HG12 VAL 17 HG12 VAL 17 2.744 -4.916 -3.860
127 HG13 VAL 17 HG13 VAL 17 2.136 -3.267 -3.701
128 HG21 VAL 17 HG21 VAL 17 0.891 -6.607 -4.205
129 HG22 VAL 17 HG22 VAL 17 -0.627 -5.737 -4.425
130 HG23 VAL 17 HG23 VAL 17 -0.335 -6.636 -2.937
131 H VAL 18 H VAL 18 0.499 -2.991 -0.521
132 HA VAL 18 HA VAL 18 2.855 -1.356 -0.743
133 HB VAL 18 HB VAL 18 0.394 -1.325 1.036
134 HG11 VAL 18 HG11 VAL 18 1.034 1.081 1.468
135 HG12 VAL 18 HG12 VAL 18 2.614 0.723 0.770
136 HG13 VAL 18 HG13 VAL 18 2.094 -0.098 2.241
137 HG21 VAL 18 HG21 VAL 18 0.335 -0.954 -1.536
138 HG22 VAL 18 HG22 VAL 18 1.123 0.584 -1.186
139 HG23 VAL 18 HG23 VAL 18 -0.471 0.235 -0.514
140 H MET 19 H MET 19 1.522 -3.173 2.062
141 HA MET 19 HA MET 19 3.788 -2.610 3.776
142 HB2 MET 19 HB2 MET 19 2.683 -4.193 5.269
143 HB3 MET 19 HB3 MET 19 1.459 -3.181 4.507
144 HG2 MET 19 HG2 MET 19 1.048 -4.975 2.836
145 HG3 MET 19 HG3 MET 19 2.232 -5.991 3.657
146 HE1 MET 19 HE1 MET 19 0.788 -7.920 4.111
147 HE2 MET 19 HE2 MET 19 0.076 -8.011 5.720
148 HE3 MET 19 HE3 MET 19 1.753 -7.501 5.533
149 H SER 20 H SER 20 3.004 -5.259 1.534
150 HA SER 20 HA SER 20 5.044 -7.103 2.367
151 HB2 SER 20 HB2 SER 20 3.353 -6.595 -0.047
152 HB3 SER 20 HB3 SER 20 4.739 -7.663 -0.242
153 HG SER 20 HG SER 20 2.498 -8.433 0.594
154 H ARG 21 H ARG 21 5.036 -4.504 -0.095
155 HA ARG 21 HA ARG 21 7.708 -4.910 -1.054
156 HB2 ARG 21 HB2 ARG 21 5.821 -3.544 -2.062
157 HB3 ARG 21 HB3 ARG 21 6.153 -2.313 -0.843
158 HG2 ARG 21 HG2 ARG 21 8.526 -3.273 -2.328
159 HG3 ARG 21 HG3 ARG 21 7.352 -2.383 -3.296
160 HD2 ARG 21 HD2 ARG 21 8.344 -1.332 -0.630
161 HD3 ARG 21 HD3 ARG 21 9.159 -0.955 -2.160
162 HE ARG 21 HE ARG 21 6.603 0.128 -1.308
163 HH11 ARG 21 HH11 ARG 21 8.684 1.266 -3.282
164 HH12 ARG 21 HH12 ARG 21 7.761 1.276 -4.747
165 HH21 ARG 21 HH21 ARG 21 5.290 -0.833 -3.508
166 HH22 ARG 21 HH22 ARG 21 5.828 0.083 -4.875
167 H PHE 22 H PHE 22 6.400 -3.007 1.660
168 HA PHE 22 HA PHE 22 8.757 -1.563 2.373
169 HB2 PHE 22 HB2 PHE 22 6.181 -2.386 3.573
170 HB3 PHE 22 HB3 PHE 22 7.458 -2.069 4.746
171 HD1 PHE 22 HD1 PHE 22 5.960 -0.590 1.636
172 HD2 PHE 22 HD2 PHE 22 7.837 0.131 5.431
173 HE1 PHE 22 HE1 PHE 22 5.633 1.849 1.334
174 HE2 PHE 22 HE2 PHE 22 7.510 2.570 5.128
175 HZ PHE 22 HZ PHE 22 6.408 3.428 3.079
176 H GLY 23 H GLY 23 7.576 -4.767 3.471
177 HA2 GLY 23 HA2 GLY 23 9.876 -5.299 5.146
178 HA3 GLY 23 HA3 GLY 23 8.699 -6.498 4.604
179 H PHE 24 H PHE 24 8.978 -6.132 1.802
180 HA PHE 24 HA PHE 24 11.178 -7.840 1.173
181 HB2 PHE 24 HB2 PHE 24 8.939 -6.787 -0.078
182 HB3 PHE 24 HB3 PHE 24 10.262 -6.024 -0.957
183 HD1 PHE 24 HD1 PHE 24 12.294 -7.698 -1.507
184 HD2 PHE 24 HD2 PHE 24 8.217 -8.870 -0.825
185 HE1 PHE 24 HE1 PHE 24 12.694 -9.808 -2.745
186 HE2 PHE 24 HE2 PHE 24 8.619 -10.982 -2.063
187 HZ PHE 24 HZ PHE 24 10.857 -11.450 -3.024
188 H PHE 25 H PHE 25 10.805 -4.299 0.761
189 HA PHE 25 HA PHE 25 13.463 -3.850 -0.277
190 HB2 PHE 25 HB2 PHE 25 11.181 -2.260 0.822
191 HB3 PHE 25 HB3 PHE 25 12.748 -1.459 0.723
192 HD1 PHE 25 HD1 PHE 25 10.706 -3.799 -1.406
193 HD2 PHE 25 HD2 PHE 25 13.134 -0.258 -1.229
194 HE1 PHE 25 HE1 PHE 25 10.383 -3.456 -3.838
195 HE2 PHE 25 HE2 PHE 25 12.807 0.085 -3.662
196 HZ PHE 25 HZ PHE 25 11.433 -1.514 -4.967
197 H ALA 26 H ALA 26 12.076 -3.703 3.015
198 HA ALA 26 HA ALA 26 14.394 -2.670 4.353
199 HB1 ALA 26 HB1 ALA 26 13.244 -3.692 6.351
200 HB2 ALA 26 HB2 ALA 26 12.112 -4.464 5.240
201 HB3 ALA 26 HB3 ALA 26 12.177 -2.705 5.353
202 H HIS 27 H HIS 27 13.357 -6.010 3.622
203 HA HIS 27 HA HIS 27 15.757 -7.151 4.918
204 HB2 HIS 27 HB2 HIS 27 13.187 -7.972 4.585
205 HB3 HIS 27 HB3 HIS 27 13.950 -8.792 3.224
206 HD1 HIS 27 HD1 HIS 27 16.379 -10.012 4.028
207 HD2 HIS 27 HD2 HIS 27 13.385 -9.475 6.881
208 HE1 HIS 27 HE1 HIS 27 16.889 -11.624 5.915
209 H LEU 28 H LEU 28 15.286 -5.652 1.976
210 HA LEU 28 HA LEU 28 16.628 -7.543 0.202
211 HB2 LEU 28 HB2 LEU 28 14.997 -5.388 -0.111
212 HB3 LEU 28 HB3 LEU 28 16.562 -4.630 -0.400
213 HG LEU 28 HG LEU 28 16.981 -6.703 -1.953
214 HD11 LEU 28 HD11 LEU 28 14.986 -7.655 -2.926
215 HD12 LEU 28 HD12 LEU 28 13.953 -6.557 -2.009
216 HD13 LEU 28 HD13 LEU 28 14.853 -7.824 -1.175
217 HD21 LEU 28 HD21 LEU 28 15.130 -4.390 -2.596
218 HD22 LEU 28 HD22 LEU 28 15.799 -5.461 -3.826
219 HD23 LEU 28 HD23 LEU 28 16.874 -4.466 -2.845
220 H LEU 29 H LEU 29 17.600 -4.327 1.486
221 HA LEU 29 HA LEU 29 19.711 -3.468 2.073
222 HB2 LEU 29 HB2 LEU 29 19.693 -6.310 2.684
223 HB3 LEU 29 HB3 LEU 29 21.315 -5.777 2.247
224 HG LEU 29 HG LEU 29 20.934 -3.816 3.861
225 HD11 LEU 29 HD11 LEU 29 19.247 -4.222 5.619
226 HD12 LEU 29 HD12 LEU 29 18.701 -5.664 4.763
227 HD13 LEU 29 HD13 LEU 29 18.484 -4.071 4.037
228 HD21 LEU 29 HD21 LEU 29 21.528 -5.203 5.821
229 HD22 LEU 29 HD22 LEU 29 22.393 -5.738 4.381
230 HD23 LEU 29 HD23 LEU 29 20.995 -6.646 4.958
231 HA PRO 30 HA PRO 30 21.984 -3.254 -1.682
232 HB2 PRO 30 HB2 PRO 30 24.414 -2.357 -0.802
233 HB3 PRO 30 HB3 PRO 30 22.964 -1.337 -0.845
234 HG2 PRO 30 HG2 PRO 30 24.249 -2.697 1.455
235 HG3 PRO 30 HG3 PRO 30 23.420 -1.137 1.384
236 HD2 PRO 30 HD2 PRO 30 22.318 -3.457 2.383
237 HD3 PRO 30 HD3 PRO 30 21.385 -2.067 1.790
238 H ARG 31 H ARG 31 21.962 -5.683 -1.892
239 HA ARG 31 HA ARG 31 24.727 -6.748 -1.924
240 HB2 ARG 31 HB2 ARG 31 23.595 -7.171 0.343
241 HB3 ARG 31 HB3 ARG 31 22.502 -8.252 -0.524
242 HG2 ARG 31 HG2 ARG 31 24.420 -9.570 -1.327
243 HG3 ARG 31 HG3 ARG 31 25.528 -8.483 -0.490
244 HD2 ARG 31 HD2 ARG 31 23.335 -9.998 0.961
245 HD3 ARG 31 HD3 ARG 31 24.982 -10.630 0.776
246 HE ARG 31 HE ARG 31 25.631 -8.271 1.772
247 HH11 ARG 31 HH11 ARG 31 22.694 -7.724 2.360
248 HH12 ARG 31 HH12 ARG 31 22.592 -8.173 4.031
249 HH21 ARG 31 HH21 ARG 31 25.599 -9.922 4.010
250 HH22 ARG 31 HH22 ARG 31 24.246 -9.423 4.970
Start of MODEL 34
1 HA ASP 1 HA ASP 1 -9.824 6.846 -20.706
2 HB2 ASP 1 HB2 ASP 1 -7.745 5.065 -19.855
3 HB3 ASP 1 HB3 ASP 1 -8.742 4.215 -21.036
4 H THR 2 H THR 2 -10.615 4.703 -22.207
5 HA THR 2 HA THR 2 -13.250 4.061 -21.074
6 HB THR 2 HB THR 2 -12.626 4.722 -23.487
7 HG1 THR 2 HG1 THR 2 -14.419 3.761 -24.091
8 HG21 THR 2 HG21 THR 2 -12.095 1.789 -23.876
9 HG22 THR 2 HG22 THR 2 -10.768 2.872 -23.453
10 HG23 THR 2 HG23 THR 2 -11.689 3.142 -24.932
11 H GLU 3 H GLU 3 -14.028 1.693 -21.350
12 HA GLU 3 HA GLU 3 -13.887 -0.539 -20.605
13 HB2 GLU 3 HB2 GLU 3 -11.243 -0.036 -21.992
14 HB3 GLU 3 HB3 GLU 3 -11.680 -1.629 -21.377
15 HG2 GLU 3 HG2 GLU 3 -13.370 -0.021 -23.316
16 HG3 GLU 3 HG3 GLU 3 -12.275 -1.320 -23.788
17 H ILE 4 H ILE 4 -13.805 0.729 -18.385
18 HA ILE 4 HA ILE 4 -11.214 0.445 -16.965
19 HB ILE 4 HB ILE 4 -13.948 1.529 -16.200
20 HG12 ILE 4 HG12 ILE 4 -11.594 3.305 -16.305
21 HG13 ILE 4 HG13 ILE 4 -12.043 2.619 -17.866
22 HG21 ILE 4 HG21 ILE 4 -11.316 1.559 -14.690
23 HG22 ILE 4 HG22 ILE 4 -12.798 0.739 -14.197
24 HG23 ILE 4 HG23 ILE 4 -12.736 2.501 -14.239
25 HD11 ILE 4 HD11 ILE 4 -14.401 3.365 -17.453
26 HD12 ILE 4 HD12 ILE 4 -13.256 4.701 -17.563
27 HD13 ILE 4 HD13 ILE 4 -13.844 4.171 -15.987
28 H ILE 5 H ILE 5 -14.538 -0.844 -16.840
29 HA ILE 5 HA ILE 5 -15.463 -2.536 -15.440
30 HB ILE 5 HB ILE 5 -14.760 -3.548 -17.529
31 HG12 ILE 5 HG12 ILE 5 -13.798 -5.491 -15.444
32 HG13 ILE 5 HG13 ILE 5 -15.475 -4.948 -15.436
33 HG21 ILE 5 HG21 ILE 5 -12.449 -2.991 -17.701
34 HG22 ILE 5 HG22 ILE 5 -12.503 -4.749 -17.578
35 HG23 ILE 5 HG23 ILE 5 -12.067 -3.780 -16.172
36 HD11 ILE 5 HD11 ILE 5 -15.574 -5.602 -17.895
37 HD12 ILE 5 HD12 ILE 5 -15.421 -6.945 -16.761
38 HD13 ILE 5 HD13 ILE 5 -14.011 -6.385 -17.661
39 H GLY 6 H GLY 6 -14.681 -1.428 -13.399
40 HA2 GLY 6 HA2 GLY 6 -12.715 -3.184 -11.982
41 HA3 GLY 6 HA3 GLY 6 -12.752 -1.441 -11.720
42 H GLY 7 H GLY 7 -13.584 -4.171 -10.220
43 HA2 GLY 7 HA2 GLY 7 -14.929 -3.452 -8.071
44 HA3 GLY 7 HA3 GLY 7 -16.231 -3.226 -9.238
45 H LEU 8 H LEU 8 -13.834 -5.727 -8.297
46 HA LEU 8 HA LEU 8 -15.928 -7.747 -7.984
47 HB2 LEU 8 HB2 LEU 8 -14.723 -7.250 -10.553
48 HB3 LEU 8 HB3 LEU 8 -14.224 -8.846 -9.994
49 HG LEU 8 HG LEU 8 -17.077 -8.243 -9.544
50 HD11 LEU 8 HD11 LEU 8 -17.691 -8.601 -11.911
51 HD12 LEU 8 HD12 LEU 8 -15.984 -8.568 -12.355
52 HD13 LEU 8 HD13 LEU 8 -16.757 -7.119 -11.712
53 HD21 LEU 8 HD21 LEU 8 -15.572 -10.534 -10.850
54 HD22 LEU 8 HD22 LEU 8 -17.283 -10.548 -10.425
55 HD23 LEU 8 HD23 LEU 8 -16.061 -10.458 -9.157
56 H THR 9 H THR 9 -13.886 -6.782 -6.258
57 HA THR 9 HA THR 9 -12.471 -9.285 -5.650
58 HB THR 9 HB THR 9 -11.111 -8.177 -7.422
59 HG1 THR 9 HG1 THR 9 -9.514 -8.979 -6.366
60 HG21 THR 9 HG21 THR 9 -9.930 -6.041 -6.788
61 HG22 THR 9 HG22 THR 9 -11.025 -5.912 -5.411
62 HG23 THR 9 HG23 THR 9 -11.663 -5.858 -7.054
63 H ILE 10 H ILE 10 -10.473 -7.768 -4.025
64 HA ILE 10 HA ILE 10 -12.278 -6.533 -1.978
65 HB ILE 10 HB ILE 10 -10.854 -7.757 -0.282
66 HG12 ILE 10 HG12 ILE 10 -9.898 -9.296 -2.720
67 HG13 ILE 10 HG13 ILE 10 -8.916 -8.125 -1.839
68 HG21 ILE 10 HG21 ILE 10 -12.159 -9.663 -2.230
69 HG22 ILE 10 HG22 ILE 10 -13.097 -8.560 -1.223
70 HG23 ILE 10 HG23 ILE 10 -12.077 -9.787 -0.473
71 HD11 ILE 10 HD11 ILE 10 -9.338 -9.498 0.250
72 HD12 ILE 10 HD12 ILE 10 -8.353 -10.298 -0.974
73 HD13 ILE 10 HD13 ILE 10 -10.053 -10.727 -0.791
74 HA PRO 11 HA PRO 11 -9.335 -3.278 -2.007
75 HB2 PRO 11 HB2 PRO 11 -9.780 -2.215 0.473
76 HB3 PRO 11 HB3 PRO 11 -10.884 -2.014 -0.902
77 HG2 PRO 11 HG2 PRO 11 -11.064 -3.875 1.411
78 HG3 PRO 11 HG3 PRO 11 -12.342 -2.974 0.584
79 HD2 PRO 11 HD2 PRO 11 -11.869 -5.625 0.175
80 HD3 PRO 11 HD3 PRO 11 -12.584 -4.554 -1.049
81 HA PRO 12 HA PRO 12 -6.701 -4.576 1.885
82 HB2 PRO 12 HB2 PRO 12 -6.694 -7.270 2.396
83 HB3 PRO 12 HB3 PRO 12 -7.746 -6.110 3.232
84 HG2 PRO 12 HG2 PRO 12 -8.366 -7.911 0.938
85 HG3 PRO 12 HG3 PRO 12 -9.336 -7.542 2.374
86 HD2 PRO 12 HD2 PRO 12 -9.828 -6.404 -0.002
87 HD3 PRO 12 HD3 PRO 12 -10.081 -5.532 1.522
88 H VAL 13 H VAL 13 -7.107 -6.529 -1.041
89 HA VAL 13 HA VAL 13 -4.504 -7.705 -1.157
90 HB VAL 13 HB VAL 13 -4.962 -7.832 -3.601
91 HG11 VAL 13 HG11 VAL 13 -7.511 -8.686 -3.132
92 HG12 VAL 13 HG12 VAL 13 -6.862 -8.646 -1.492
93 HG13 VAL 13 HG13 VAL 13 -6.067 -9.615 -2.732
94 HG21 VAL 13 HG21 VAL 13 -7.418 -6.910 -4.110
95 HG22 VAL 13 HG22 VAL 13 -5.992 -5.895 -4.320
96 HG23 VAL 13 HG23 VAL 13 -6.971 -5.746 -2.863
97 H VAL 14 H VAL 14 -5.627 -4.471 -2.169
98 HA VAL 14 HA VAL 14 -3.160 -3.650 -3.429
99 HB VAL 14 HB VAL 14 -5.392 -2.069 -2.096
100 HG11 VAL 14 HG11 VAL 14 -4.642 -0.215 -3.534
101 HG12 VAL 14 HG12 VAL 14 -3.330 -1.218 -4.154
102 HG13 VAL 14 HG13 VAL 14 -3.342 -0.729 -2.459
103 HG21 VAL 14 HG21 VAL 14 -5.030 -3.314 -4.804
104 HG22 VAL 14 HG22 VAL 14 -5.926 -1.801 -4.678
105 HG23 VAL 14 HG23 VAL 14 -6.479 -3.228 -3.800
106 H ALA 15 H ALA 15 -4.480 -3.229 -0.132
107 HA ALA 15 HA ALA 15 -2.319 -1.689 0.950
108 HB1 ALA 15 HB1 ALA 15 -4.318 -3.630 2.152
109 HB2 ALA 15 HB2 ALA 15 -4.470 -1.876 2.049
110 HB3 ALA 15 HB3 ALA 15 -3.267 -2.596 3.120
111 H LEU 16 H LEU 16 -2.798 -5.199 0.598
112 HA LEU 16 HA LEU 16 -0.543 -6.032 2.194
113 HB2 LEU 16 HB2 LEU 16 -2.647 -7.280 1.209
114 HB3 LEU 16 HB3 LEU 16 -1.598 -7.547 -0.184
115 HG LEU 16 HG LEU 16 0.144 -8.360 1.580
116 HD11 LEU 16 HD11 LEU 16 -1.422 -7.518 3.462
117 HD12 LEU 16 HD12 LEU 16 -0.691 -9.109 3.664
118 HD13 LEU 16 HD13 LEU 16 -2.369 -8.970 3.140
119 HD21 LEU 16 HD21 LEU 16 -2.363 -9.956 0.956
120 HD22 LEU 16 HD22 LEU 16 -0.829 -10.643 1.491
121 HD23 LEU 16 HD23 LEU 16 -0.933 -9.831 -0.070
122 H VAL 17 H VAL 17 -0.933 -5.349 -1.299
123 HA VAL 17 HA VAL 17 1.692 -6.156 -2.133
124 HB VAL 17 HB VAL 17 -0.368 -4.179 -3.160
125 HG11 VAL 17 HG11 VAL 17 1.017 -4.471 -5.349
126 HG12 VAL 17 HG12 VAL 17 2.338 -4.916 -4.268
127 HG13 VAL 17 HG13 VAL 17 1.592 -3.323 -4.142
128 HG21 VAL 17 HG21 VAL 17 -0.953 -6.586 -3.209
129 HG22 VAL 17 HG22 VAL 17 0.526 -6.924 -4.108
130 HG23 VAL 17 HG23 VAL 17 -0.747 -5.947 -4.840
131 H VAL 18 H VAL 18 0.436 -3.095 -0.820
132 HA VAL 18 HA VAL 18 2.871 -1.567 -1.241
133 HB VAL 18 HB VAL 18 0.475 -1.262 0.606
134 HG11 VAL 18 HG11 VAL 18 2.390 0.004 1.486
135 HG12 VAL 18 HG12 VAL 18 1.190 1.105 0.810
136 HG13 VAL 18 HG13 VAL 18 2.653 0.731 -0.099
137 HG21 VAL 18 HG21 VAL 18 -0.093 -1.170 -1.773
138 HG22 VAL 18 HG22 VAL 18 1.203 -0.010 -2.063
139 HG23 VAL 18 HG23 VAL 18 -0.192 0.451 -1.086
140 H MET 19 H MET 19 1.532 -3.472 1.453
141 HA MET 19 HA MET 19 3.609 -2.816 3.364
142 HB2 MET 19 HB2 MET 19 1.446 -4.896 3.066
143 HB3 MET 19 HB3 MET 19 2.599 -5.003 4.395
144 HG2 MET 19 HG2 MET 19 1.952 -2.863 5.253
145 HG3 MET 19 HG3 MET 19 1.032 -2.485 3.796
146 HE1 MET 19 HE1 MET 19 -1.230 -2.245 4.034
147 HE2 MET 19 HE2 MET 19 -0.880 -1.805 5.704
148 HE3 MET 19 HE3 MET 19 -2.235 -2.873 5.348
149 H SER 20 H SER 20 3.094 -5.568 1.118
150 HA SER 20 HA SER 20 5.341 -7.140 1.933
151 HB2 SER 20 HB2 SER 20 4.983 -8.256 -0.208
152 HB3 SER 20 HB3 SER 20 3.417 -7.831 0.474
153 HG SER 20 HG SER 20 4.802 -6.736 -1.705
154 H ARG 21 H ARG 21 5.070 -4.438 -0.369
155 HA ARG 21 HA ARG 21 7.700 -4.619 -1.509
156 HB2 ARG 21 HB2 ARG 21 5.631 -3.272 -2.231
157 HB3 ARG 21 HB3 ARG 21 6.092 -2.101 -0.996
158 HG2 ARG 21 HG2 ARG 21 8.368 -1.976 -2.085
159 HG3 ARG 21 HG3 ARG 21 7.725 -2.961 -3.400
160 HD2 ARG 21 HD2 ARG 21 6.224 -0.487 -2.575
161 HD3 ARG 21 HD3 ARG 21 7.658 -0.330 -3.610
162 HE ARG 21 HE ARG 21 5.436 -2.211 -4.325
163 HH11 ARG 21 HH11 ARG 21 4.935 0.484 -5.369
164 HH12 ARG 21 HH12 ARG 21 5.746 0.481 -6.899
165 HH21 ARG 21 HH21 ARG 21 7.680 -2.313 -6.157
166 HH22 ARG 21 HH22 ARG 21 7.306 -1.113 -7.348
167 H PHE 22 H PHE 22 6.432 -2.854 1.330
168 HA PHE 22 HA PHE 22 8.886 -1.527 2.042
169 HB2 PHE 22 HB2 PHE 22 6.500 -1.047 2.791
170 HB3 PHE 22 HB3 PHE 22 6.635 -2.443 3.860
171 HD1 PHE 22 HD1 PHE 22 8.111 0.884 3.067
172 HD2 PHE 22 HD2 PHE 22 7.828 -2.316 5.919
173 HE1 PHE 22 HE1 PHE 22 9.276 2.282 4.752
174 HE2 PHE 22 HE2 PHE 22 8.993 -0.918 7.604
175 HZ PHE 22 HZ PHE 22 9.717 1.381 7.021
176 H GLY 23 H GLY 23 7.477 -4.679 2.967
177 HA2 GLY 23 HA2 GLY 23 9.432 -5.375 4.943
178 HA3 GLY 23 HA3 GLY 23 8.433 -6.528 4.055
179 H PHE 24 H PHE 24 9.290 -5.935 1.423
180 HA PHE 24 HA PHE 24 11.673 -7.517 1.200
181 HB2 PHE 24 HB2 PHE 24 9.721 -6.194 -0.476
182 HB3 PHE 24 HB3 PHE 24 11.338 -5.912 -1.120
183 HD1 PHE 24 HD1 PHE 24 12.895 -7.945 -1.399
184 HD2 PHE 24 HD2 PHE 24 8.657 -8.281 -0.775
185 HE1 PHE 24 HE1 PHE 24 12.947 -10.258 -2.289
186 HE2 PHE 24 HE2 PHE 24 8.710 -10.594 -1.665
187 HZ PHE 24 HZ PHE 24 10.854 -11.584 -2.422
188 H PHE 25 H PHE 25 11.132 -3.991 1.150
189 HA PHE 25 HA PHE 25 13.816 -3.221 0.462
190 HB2 PHE 25 HB2 PHE 25 11.532 -1.927 0.571
191 HB3 PHE 25 HB3 PHE 25 11.982 -1.632 2.250
192 HD1 PHE 25 HD1 PHE 25 14.145 -0.465 2.778
193 HD2 PHE 25 HD2 PHE 25 12.623 -0.783 -1.227
194 HE1 PHE 25 HE1 PHE 25 15.667 1.354 2.055
195 HE2 PHE 25 HE2 PHE 25 14.144 1.037 -1.950
196 HZ PHE 25 HZ PHE 25 15.667 2.106 -0.309
197 H ALA 26 H ALA 26 12.218 -3.876 3.579
198 HA ALA 26 HA ALA 26 14.518 -3.072 5.193
199 HB1 ALA 26 HB1 ALA 26 12.439 -2.872 6.252
200 HB2 ALA 26 HB2 ALA 26 13.027 -4.395 6.915
201 HB3 ALA 26 HB3 ALA 26 11.851 -4.402 5.601
202 H HIS 27 H HIS 27 13.504 -6.019 3.589
203 HA HIS 27 HA HIS 27 15.355 -7.702 5.191
204 HB2 HIS 27 HB2 HIS 27 12.919 -8.211 4.331
205 HB3 HIS 27 HB3 HIS 27 13.737 -8.599 2.817
206 HD1 HIS 27 HD1 HIS 27 16.242 -10.009 3.756
207 HD2 HIS 27 HD2 HIS 27 12.521 -10.676 5.515
208 HE1 HIS 27 HE1 HIS 27 16.374 -12.276 4.877
209 H LEU 28 H LEU 28 15.024 -6.347 1.920
210 HA LEU 28 HA LEU 28 17.411 -7.798 0.942
211 HB2 LEU 28 HB2 LEU 28 15.124 -7.071 -0.223
212 HB3 LEU 28 HB3 LEU 28 16.032 -5.595 -0.546
213 HG LEU 28 HG LEU 28 17.771 -7.761 -1.134
214 HD11 LEU 28 HD11 LEU 28 15.020 -8.066 -2.381
215 HD12 LEU 28 HD12 LEU 28 15.773 -9.199 -1.258
216 HD13 LEU 28 HD13 LEU 28 16.465 -8.956 -2.863
217 HD21 LEU 28 HD21 LEU 28 16.182 -5.923 -2.957
218 HD22 LEU 28 HD22 LEU 28 17.625 -6.826 -3.418
219 HD23 LEU 28 HD23 LEU 28 17.736 -5.538 -2.218
220 H LEU 29 H LEU 29 17.689 -5.763 3.155
221 HA LEU 29 HA LEU 29 19.649 -3.961 1.783
222 HB2 LEU 29 HB2 LEU 29 17.349 -2.992 2.511
223 HB3 LEU 29 HB3 LEU 29 17.964 -3.153 4.157
224 HG LEU 29 HG LEU 29 20.066 -1.899 3.191
225 HD11 LEU 29 HD11 LEU 29 17.878 -1.309 1.187
226 HD12 LEU 29 HD12 LEU 29 19.529 -1.840 0.871
227 HD13 LEU 29 HD13 LEU 29 19.227 -0.204 1.453
228 HD21 LEU 29 HD21 LEU 29 19.166 0.142 4.007
229 HD22 LEU 29 HD22 LEU 29 18.270 -1.109 4.869
230 HD23 LEU 29 HD23 LEU 29 17.531 -0.281 3.498
231 HA PRO 30 HA PRO 30 22.159 -5.848 4.965
232 HB2 PRO 30 HB2 PRO 30 24.513 -4.651 4.248
233 HB3 PRO 30 HB3 PRO 30 23.820 -6.024 3.363
234 HG2 PRO 30 HG2 PRO 30 23.815 -3.137 2.681
235 HG3 PRO 30 HG3 PRO 30 23.922 -4.549 1.622
236 HD2 PRO 30 HD2 PRO 30 21.639 -3.057 2.028
237 HD3 PRO 30 HD3 PRO 30 21.663 -4.736 1.446
238 H ARG 31 H ARG 31 20.814 -4.367 6.451
239 HA ARG 31 HA ARG 31 20.743 -2.818 8.225
240 HB2 ARG 31 HB2 ARG 31 23.153 -4.004 8.259
241 HB3 ARG 31 HB3 ARG 31 23.683 -2.351 7.944
242 HG2 ARG 31 HG2 ARG 31 22.361 -1.580 9.908
243 HG3 ARG 31 HG3 ARG 31 21.930 -3.257 10.248
244 HD2 ARG 31 HD2 ARG 31 24.837 -2.745 9.900
245 HD3 ARG 31 HD3 ARG 31 24.098 -2.049 11.356
246 HE ARG 31 HE ARG 31 23.585 -4.253 12.116
247 HH11 ARG 31 HH11 ARG 31 26.223 -4.838 10.653
248 HH12 ARG 31 HH12 ARG 31 25.795 -6.264 9.769
249 HH21 ARG 31 HH21 ARG 31 22.374 -5.822 10.203
250 HH22 ARG 31 HH22 ARG 31 23.606 -6.822 9.511
Start of MODEL 35
1 HA ASP 1 HA ASP 1 -0.592 6.776 -2.171
2 HB2 ASP 1 HB2 ASP 1 0.467 5.940 -0.136
3 HB3 ASP 1 HB3 ASP 1 -1.105 5.568 0.569
4 H THR 2 H THR 2 -1.946 5.516 -3.456
5 HA THR 2 HA THR 2 -4.053 5.073 -4.468
6 HB THR 2 HB THR 2 -5.183 3.286 -3.115
7 HG1 THR 2 HG1 THR 2 -3.154 3.656 -1.197
8 HG21 THR 2 HG21 THR 2 -3.124 2.903 -4.531
9 HG22 THR 2 HG22 THR 2 -3.350 1.739 -3.225
10 HG23 THR 2 HG23 THR 2 -2.169 3.037 -3.054
11 H GLU 3 H GLU 3 -4.532 7.558 -3.944
12 HA GLU 3 HA GLU 3 -6.542 8.053 -1.878
13 HB2 GLU 3 HB2 GLU 3 -5.222 9.577 -4.111
14 HB3 GLU 3 HB3 GLU 3 -6.624 10.268 -3.295
15 HG2 GLU 3 HG2 GLU 3 -5.343 10.890 -1.556
16 HG3 GLU 3 HG3 GLU 3 -4.824 9.222 -1.314
17 H ILE 4 H ILE 4 -7.014 9.077 -5.226
18 HA ILE 4 HA ILE 4 -9.600 7.552 -5.271
19 HB ILE 4 HB ILE 4 -10.492 9.542 -6.505
20 HG12 ILE 4 HG12 ILE 4 -8.188 11.193 -5.576
21 HG13 ILE 4 HG13 ILE 4 -7.924 10.201 -7.010
22 HG21 ILE 4 HG21 ILE 4 -9.275 10.349 -3.854
23 HG22 ILE 4 HG22 ILE 4 -10.639 9.236 -3.982
24 HG23 ILE 4 HG23 ILE 4 -10.798 10.898 -4.554
25 HD11 ILE 4 HD11 ILE 4 -8.749 12.370 -7.723
26 HD12 ILE 4 HD12 ILE 4 -10.112 12.260 -6.609
27 HD13 ILE 4 HD13 ILE 4 -10.018 11.175 -7.996
28 H ILE 5 H ILE 5 -7.198 6.508 -6.385
29 HA ILE 5 HA ILE 5 -6.943 7.112 -9.200
30 HB ILE 5 HB ILE 5 -5.217 6.086 -7.697
31 HG12 ILE 5 HG12 ILE 5 -5.201 5.897 -10.235
32 HG13 ILE 5 HG13 ILE 5 -4.255 4.686 -9.376
33 HG21 ILE 5 HG21 ILE 5 -6.902 4.511 -6.595
34 HG22 ILE 5 HG22 ILE 5 -5.334 3.817 -7.000
35 HG23 ILE 5 HG23 ILE 5 -6.732 3.492 -8.022
36 HD11 ILE 5 HD11 ILE 5 -5.390 3.191 -10.657
37 HD12 ILE 5 HD12 ILE 5 -6.658 4.351 -11.048
38 HD13 ILE 5 HD13 ILE 5 -6.715 3.463 -9.527
39 H GLY 6 H GLY 6 -8.489 6.668 -10.681
40 HA2 GLY 6 HA2 GLY 6 -9.983 5.317 -11.947
41 HA3 GLY 6 HA3 GLY 6 -9.787 4.033 -10.752
42 H GLY 7 H GLY 7 -10.772 4.624 -8.514
43 HA2 GLY 7 HA2 GLY 7 -12.513 6.210 -7.498
44 HA3 GLY 7 HA3 GLY 7 -13.427 5.923 -8.980
45 H LEU 8 H LEU 8 -13.615 3.410 -9.449
46 HA LEU 8 HA LEU 8 -14.442 2.079 -6.886
47 HB2 LEU 8 HB2 LEU 8 -15.820 2.750 -9.340
48 HB3 LEU 8 HB3 LEU 8 -15.829 1.001 -9.119
49 HG LEU 8 HG LEU 8 -17.789 2.062 -8.042
50 HD11 LEU 8 HD11 LEU 8 -16.393 0.044 -7.065
51 HD12 LEU 8 HD12 LEU 8 -17.703 0.756 -6.122
52 HD13 LEU 8 HD13 LEU 8 -16.028 1.190 -5.776
53 HD21 LEU 8 HD21 LEU 8 -16.455 4.208 -7.528
54 HD22 LEU 8 HD22 LEU 8 -15.850 3.348 -6.111
55 HD23 LEU 8 HD23 LEU 8 -17.579 3.651 -6.287
56 H THR 9 H THR 9 -11.799 1.887 -8.268
57 HA THR 9 HA THR 9 -11.829 -1.056 -8.843
58 HB THR 9 HB THR 9 -9.871 -0.337 -10.441
59 HG1 THR 9 HG1 THR 9 -9.623 1.766 -10.085
60 HG21 THR 9 HG21 THR 9 -11.908 -1.280 -11.310
61 HG22 THR 9 HG22 THR 9 -11.563 0.174 -12.246
62 HG23 THR 9 HG23 THR 9 -12.797 0.209 -10.987
63 H ILE 10 H ILE 10 -11.337 -0.502 -6.311
64 HA ILE 10 HA ILE 10 -8.352 -0.571 -6.046
65 HB ILE 10 HB ILE 10 -8.783 0.663 -3.846
66 HG12 ILE 10 HG12 ILE 10 -11.247 1.863 -4.899
67 HG13 ILE 10 HG13 ILE 10 -11.445 0.165 -4.470
68 HG21 ILE 10 HG21 ILE 10 -9.520 2.114 -6.406
69 HG22 ILE 10 HG22 ILE 10 -7.874 1.743 -5.895
70 HG23 ILE 10 HG23 ILE 10 -8.865 2.848 -4.942
71 HD11 ILE 10 HD11 ILE 10 -10.025 2.017 -2.580
72 HD12 ILE 10 HD12 ILE 10 -10.904 0.529 -2.228
73 HD13 ILE 10 HD13 ILE 10 -11.788 2.001 -2.630
74 HA PRO 11 HA PRO 11 -9.957 -4.280 -3.995
75 HB2 PRO 11 HB2 PRO 11 -7.827 -5.869 -4.639
76 HB3 PRO 11 HB3 PRO 11 -9.176 -5.563 -5.749
77 HG2 PRO 11 HG2 PRO 11 -6.433 -4.484 -5.778
78 HG3 PRO 11 HG3 PRO 11 -7.558 -4.754 -7.115
79 HD2 PRO 11 HD2 PRO 11 -6.977 -2.295 -5.887
80 HD3 PRO 11 HD3 PRO 11 -8.305 -2.623 -7.018
81 HA PRO 12 HA PRO 12 -7.606 -3.855 -0.283
82 HB2 PRO 12 HB2 PRO 12 -7.971 -6.317 0.860
83 HB3 PRO 12 HB3 PRO 12 -9.246 -5.085 0.783
84 HG2 PRO 12 HG2 PRO 12 -8.833 -7.487 -0.923
85 HG3 PRO 12 HG3 PRO 12 -10.337 -6.784 -0.306
86 HD2 PRO 12 HD2 PRO 12 -9.452 -6.445 -2.865
87 HD3 PRO 12 HD3 PRO 12 -10.485 -5.273 -2.016
88 H VAL 13 H VAL 13 -6.839 -6.407 -2.551
89 HA VAL 13 HA VAL 13 -4.558 -7.580 -1.322
90 HB VAL 13 HB VAL 13 -5.848 -8.325 -3.367
91 HG11 VAL 13 HG11 VAL 13 -4.083 -6.382 -4.870
92 HG12 VAL 13 HG12 VAL 13 -5.745 -5.994 -4.424
93 HG13 VAL 13 HG13 VAL 13 -5.414 -7.351 -5.499
94 HG21 VAL 13 HG21 VAL 13 -3.734 -9.395 -2.829
95 HG22 VAL 13 HG22 VAL 13 -2.832 -8.076 -3.575
96 HG23 VAL 13 HG23 VAL 13 -3.809 -9.151 -4.575
97 H VAL 14 H VAL 14 -4.866 -4.538 -3.163
98 HA VAL 14 HA VAL 14 -2.053 -4.074 -3.549
99 HB VAL 14 HB VAL 14 -2.763 -1.767 -4.002
100 HG11 VAL 14 HG11 VAL 14 -3.570 -3.976 -5.378
101 HG12 VAL 14 HG12 VAL 14 -3.862 -2.321 -5.916
102 HG13 VAL 14 HG13 VAL 14 -5.124 -3.204 -5.056
103 HG21 VAL 14 HG21 VAL 14 -4.281 -1.056 -2.419
104 HG22 VAL 14 HG22 VAL 14 -5.111 -2.609 -2.362
105 HG23 VAL 14 HG23 VAL 14 -5.412 -1.499 -3.696
106 H ALA 15 H ALA 15 -4.246 -3.326 -0.842
107 HA ALA 15 HA ALA 15 -2.467 -1.659 0.668
108 HB1 ALA 15 HB1 ALA 15 -4.869 -1.873 1.110
109 HB2 ALA 15 HB2 ALA 15 -3.972 -2.361 2.548
110 HB3 ALA 15 HB3 ALA 15 -4.671 -3.585 1.488
111 H LEU 16 H LEU 16 -2.936 -5.193 0.571
112 HA LEU 16 HA LEU 16 -1.075 -5.836 2.684
113 HB2 LEU 16 HB2 LEU 16 -2.961 -7.225 1.615
114 HB3 LEU 16 HB3 LEU 16 -1.842 -7.535 0.290
115 HG LEU 16 HG LEU 16 -1.940 -9.289 2.172
116 HD11 LEU 16 HD11 LEU 16 0.868 -8.340 1.990
117 HD12 LEU 16 HD12 LEU 16 0.034 -8.604 0.459
118 HD13 LEU 16 HD13 LEU 16 0.185 -9.924 1.620
119 HD21 LEU 16 HD21 LEU 16 -1.837 -7.367 3.934
120 HD22 LEU 16 HD22 LEU 16 -0.099 -7.398 3.628
121 HD23 LEU 16 HD23 LEU 16 -0.912 -8.838 4.239
122 H VAL 17 H VAL 17 -0.767 -5.559 -0.866
123 HA VAL 17 HA VAL 17 1.933 -6.472 -1.114
124 HB VAL 17 HB VAL 17 0.241 -4.495 -2.683
125 HG11 VAL 17 HG11 VAL 17 1.931 -5.158 -4.544
126 HG12 VAL 17 HG12 VAL 17 2.989 -5.623 -3.211
127 HG13 VAL 17 HG13 VAL 17 2.436 -3.954 -3.357
128 HG21 VAL 17 HG21 VAL 17 -0.318 -6.332 -4.063
129 HG22 VAL 17 HG22 VAL 17 -0.377 -7.008 -2.436
130 HG23 VAL 17 HG23 VAL 17 1.025 -7.305 -3.464
131 H VAL 18 H VAL 18 0.589 -3.215 -0.491
132 HA VAL 18 HA VAL 18 3.065 -1.764 -0.547
133 HB VAL 18 HB VAL 18 0.457 -1.323 0.961
134 HG11 VAL 18 HG11 VAL 18 2.146 0.072 1.971
135 HG12 VAL 18 HG12 VAL 18 1.196 1.098 0.896
136 HG13 VAL 18 HG13 VAL 18 2.788 0.531 0.393
137 HG21 VAL 18 HG21 VAL 18 0.910 -1.378 -1.766
138 HG22 VAL 18 HG22 VAL 18 1.100 0.334 -1.386
139 HG23 VAL 18 HG23 VAL 18 -0.398 -0.500 -0.975
140 H MET 19 H MET 19 1.302 -3.382 2.107
141 HA MET 19 HA MET 19 3.127 -2.649 4.221
142 HB2 MET 19 HB2 MET 19 1.051 -4.804 3.771
143 HB3 MET 19 HB3 MET 19 1.971 -4.724 5.273
144 HG2 MET 19 HG2 MET 19 1.113 -2.564 5.804
145 HG3 MET 19 HG3 MET 19 0.480 -2.335 4.175
146 HE1 MET 19 HE1 MET 19 0.075 -3.159 7.553
147 HE2 MET 19 HE2 MET 19 0.030 -4.911 7.365
148 HE3 MET 19 HE3 MET 19 -1.441 -4.040 7.791
149 H SER 20 H SER 20 2.806 -5.600 2.212
150 HA SER 20 HA SER 20 5.006 -7.049 3.331
151 HB2 SER 20 HB2 SER 20 3.547 -7.030 0.686
152 HB3 SER 20 HB3 SER 20 4.883 -8.141 0.975
153 HG SER 20 HG SER 20 3.536 -9.312 2.070
154 H ARG 21 H ARG 21 4.825 -4.766 0.578
155 HA ARG 21 HA ARG 21 7.518 -4.996 -0.333
156 HB2 ARG 21 HB2 ARG 21 5.524 -3.838 -1.399
157 HB3 ARG 21 HB3 ARG 21 5.784 -2.510 -0.269
158 HG2 ARG 21 HG2 ARG 21 8.188 -3.410 -1.757
159 HG3 ARG 21 HG3 ARG 21 6.939 -2.631 -2.729
160 HD2 ARG 21 HD2 ARG 21 8.139 -1.447 -0.194
161 HD3 ARG 21 HD3 ARG 21 8.571 -0.967 -1.846
162 HE ARG 21 HE ARG 21 5.946 -0.605 -2.029
163 HH11 ARG 21 HH11 ARG 21 7.426 1.825 -1.306
164 HH12 ARG 21 HH12 ARG 21 6.715 2.295 0.202
165 HH21 ARG 21 HH21 ARG 21 5.259 -0.811 0.784
166 HH22 ARG 21 HH22 ARG 21 5.482 0.797 1.387
167 H PHE 22 H PHE 22 6.107 -3.139 2.348
168 HA PHE 22 HA PHE 22 8.290 -1.401 2.930
169 HB2 PHE 22 HB2 PHE 22 5.867 -1.559 3.859
170 HB3 PHE 22 HB3 PHE 22 6.528 -2.737 4.993
171 HD1 PHE 22 HD1 PHE 22 8.350 -2.073 6.572
172 HD2 PHE 22 HD2 PHE 22 6.333 0.788 4.082
173 HE1 PHE 22 HE1 PHE 22 9.210 -0.231 7.992
174 HE2 PHE 22 HE2 PHE 22 7.193 2.630 5.502
175 HZ PHE 22 HZ PHE 22 8.630 2.121 7.457
176 H GLY 23 H GLY 23 7.617 -4.745 3.997
177 HA2 GLY 23 HA2 GLY 23 10.124 -4.877 5.532
178 HA3 GLY 23 HA3 GLY 23 8.960 -6.188 5.329
179 H PHE 24 H PHE 24 8.878 -5.918 2.393
180 HA PHE 24 HA PHE 24 10.979 -7.735 1.677
181 HB2 PHE 24 HB2 PHE 24 8.616 -6.674 0.590
182 HB3 PHE 24 HB3 PHE 24 9.881 -6.189 -0.536
183 HD1 PHE 24 HD1 PHE 24 11.616 -8.055 -1.184
184 HD2 PHE 24 HD2 PHE 24 7.716 -8.829 0.443
185 HE1 PHE 24 HE1 PHE 24 11.694 -10.361 -2.093
186 HE2 PHE 24 HE2 PHE 24 7.796 -11.136 -0.466
187 HZ PHE 24 HZ PHE 24 9.785 -11.901 -1.733
188 H PHE 25 H PHE 25 10.561 -4.243 0.971
189 HA PHE 25 HA PHE 25 12.951 -3.822 -0.500
190 HB2 PHE 25 HB2 PHE 25 10.869 -2.328 0.070
191 HB3 PHE 25 HB3 PHE 25 11.840 -1.811 1.448
192 HD1 PHE 25 HD1 PHE 25 11.588 -1.852 -2.234
193 HD2 PHE 25 HD2 PHE 25 13.881 -0.513 1.145
194 HE1 PHE 25 HE1 PHE 25 12.863 -0.317 -3.706
195 HE2 PHE 25 HE2 PHE 25 15.154 1.021 -0.328
196 HZ PHE 25 HZ PHE 25 14.645 1.120 -2.753
197 H ALA 26 H ALA 26 12.450 -4.057 3.005
198 HA ALA 26 HA ALA 26 14.819 -2.906 4.006
199 HB1 ALA 26 HB1 ALA 26 14.384 -4.287 5.939
200 HB2 ALA 26 HB2 ALA 26 13.519 -5.473 4.962
201 HB3 ALA 26 HB3 ALA 26 12.820 -3.877 5.235
202 H HIS 27 H HIS 27 14.345 -6.122 2.541
203 HA HIS 27 HA HIS 27 17.314 -6.548 2.702
204 HB2 HIS 27 HB2 HIS 27 16.771 -8.946 2.759
205 HB3 HIS 27 HB3 HIS 27 15.908 -8.102 4.041
206 HD1 HIS 27 HD1 HIS 27 15.304 -9.409 0.511
207 HD2 HIS 27 HD2 HIS 27 13.148 -8.426 3.941
208 HE1 HIS 27 HE1 HIS 27 12.915 -10.133 0.088
209 H LEU 28 H LEU 28 15.486 -5.232 0.555
210 HA LEU 28 HA LEU 28 16.130 -7.036 -1.747
211 HB2 LEU 28 HB2 LEU 28 13.760 -6.169 -1.169
212 HB3 LEU 28 HB3 LEU 28 14.333 -4.605 -1.745
213 HG LEU 28 HG LEU 28 15.170 -6.264 -3.763
214 HD11 LEU 28 HD11 LEU 28 12.475 -7.276 -2.807
215 HD12 LEU 28 HD12 LEU 28 13.986 -8.182 -2.728
216 HD13 LEU 28 HD13 LEU 28 13.292 -7.758 -4.293
217 HD21 LEU 28 HD21 LEU 28 12.930 -4.397 -3.286
218 HD22 LEU 28 HD22 LEU 28 12.675 -5.510 -4.631
219 HD23 LEU 28 HD23 LEU 28 14.084 -4.452 -4.619
220 H LEU 29 H LEU 29 16.399 -3.652 -0.606
221 HA LEU 29 HA LEU 29 17.977 -2.846 -2.954
222 HB2 LEU 29 HB2 LEU 29 16.305 -1.460 -1.569
223 HB3 LEU 29 HB3 LEU 29 17.575 -1.357 -0.351
224 HG LEU 29 HG LEU 29 19.075 -0.578 -2.354
225 HD11 LEU 29 HD11 LEU 29 17.623 -0.957 -4.201
226 HD12 LEU 29 HD12 LEU 29 17.608 0.790 -3.960
227 HD13 LEU 29 HD13 LEU 29 16.259 -0.190 -3.386
228 HD21 LEU 29 HD21 LEU 29 18.084 0.745 -0.331
229 HD22 LEU 29 HD22 LEU 29 16.953 1.392 -1.520
230 HD23 LEU 29 HD23 LEU 29 18.686 1.652 -1.720
231 HA PRO 30 HA PRO 30 21.736 -4.215 -0.947
232 HB2 PRO 30 HB2 PRO 30 23.430 -3.536 -2.986
233 HB3 PRO 30 HB3 PRO 30 22.414 -4.989 -3.020
234 HG2 PRO 30 HG2 PRO 30 22.036 -2.383 -4.388
235 HG3 PRO 30 HG3 PRO 30 21.638 -4.018 -4.937
236 HD2 PRO 30 HD2 PRO 30 19.812 -2.210 -3.942
237 HD3 PRO 30 HD3 PRO 30 19.582 -3.972 -3.967
238 H ARG 31 H ARG 31 21.405 -2.358 0.591
239 HA ARG 31 HA ARG 31 22.160 -0.408 1.677
240 HB2 ARG 31 HB2 ARG 31 24.416 -1.169 -0.185
241 HB3 ARG 31 HB3 ARG 31 24.553 0.226 0.884
242 HG2 ARG 31 HG2 ARG 31 24.140 -1.183 2.837
243 HG3 ARG 31 HG3 ARG 31 23.891 -2.588 1.799
244 HD2 ARG 31 HD2 ARG 31 26.158 -2.766 2.553
245 HD3 ARG 31 HD3 ARG 31 26.279 -2.119 0.905
246 HE ARG 31 HE ARG 31 26.451 0.163 1.944
247 HH11 ARG 31 HH11 ARG 31 28.967 -1.156 2.659
248 HH12 ARG 31 HH12 ARG 31 29.032 -0.994 4.382
249 HH21 ARG 31 HH21 ARG 31 25.648 -0.264 4.701
250 HH22 ARG 31 HH22 ARG 31 27.145 -0.487 5.543
Start of MODEL 36
1 HA ASP 1 HA ASP 1 -13.914 0.563 16.221
2 HB2 ASP 1 HB2 ASP 1 -13.378 -1.466 14.116
3 HB3 ASP 1 HB3 ASP 1 -11.963 -0.870 14.985
4 H THR 2 H THR 2 -11.710 1.540 16.263
5 HA THR 2 HA THR 2 -11.479 3.769 14.386
6 HB THR 2 HB THR 2 -9.442 2.850 16.428
7 HG1 THR 2 HG1 THR 2 -10.686 3.692 18.002
8 HG21 THR 2 HG21 THR 2 -8.970 4.805 14.917
9 HG22 THR 2 HG22 THR 2 -8.982 5.215 16.632
10 HG23 THR 2 HG23 THR 2 -10.369 5.618 15.619
11 H GLU 3 H GLU 3 -10.107 3.897 12.625
12 HA GLU 3 HA GLU 3 -8.209 1.614 12.175
13 HB2 GLU 3 HB2 GLU 3 -10.496 1.958 10.845
14 HB3 GLU 3 HB3 GLU 3 -9.517 3.100 9.925
15 HG2 GLU 3 HG2 GLU 3 -7.801 1.255 9.648
16 HG3 GLU 3 HG3 GLU 3 -8.987 0.148 10.342
17 H ILE 4 H ILE 4 -6.276 2.668 12.708
18 HA ILE 4 HA ILE 4 -5.728 5.416 11.846
19 HB ILE 4 HB ILE 4 -4.977 4.055 13.958
20 HG12 ILE 4 HG12 ILE 4 -4.303 6.410 13.263
21 HG13 ILE 4 HG13 ILE 4 -3.149 5.557 14.283
22 HG21 ILE 4 HG21 ILE 4 -2.801 2.979 13.762
23 HG22 ILE 4 HG22 ILE 4 -2.743 3.345 12.038
24 HG23 ILE 4 HG23 ILE 4 -3.939 2.207 12.657
25 HD11 ILE 4 HD11 ILE 4 -2.439 4.863 11.652
26 HD12 ILE 4 HD12 ILE 4 -1.585 5.978 12.715
27 HD13 ILE 4 HD13 ILE 4 -2.800 6.588 11.591
28 H ILE 5 H ILE 5 -5.073 2.175 10.613
29 HA ILE 5 HA ILE 5 -3.283 3.314 8.498
30 HB ILE 5 HB ILE 5 -3.854 0.427 9.268
31 HG12 ILE 5 HG12 ILE 5 -2.835 1.601 11.165
32 HG13 ILE 5 HG13 ILE 5 -1.651 0.525 10.429
33 HG21 ILE 5 HG21 ILE 5 -1.520 0.207 8.138
34 HG22 ILE 5 HG22 ILE 5 -1.883 1.782 7.433
35 HG23 ILE 5 HG23 ILE 5 -2.933 0.404 7.102
36 HD11 ILE 5 HD11 ILE 5 -0.590 2.671 10.866
37 HD12 ILE 5 HD12 ILE 5 -1.873 3.520 10.006
38 HD13 ILE 5 HD13 ILE 5 -0.765 2.471 9.124
39 H GLY 6 H GLY 6 -5.827 4.085 8.026
40 HA2 GLY 6 HA2 GLY 6 -7.065 2.057 6.225
41 HA3 GLY 6 HA3 GLY 6 -7.882 3.487 6.856
42 H GLY 7 H GLY 7 -6.621 5.620 6.185
43 HA2 GLY 7 HA2 GLY 7 -5.470 6.845 4.456
44 HA3 GLY 7 HA3 GLY 7 -5.523 5.408 3.435
45 H LEU 8 H LEU 8 -8.310 4.826 3.694
46 HA LEU 8 HA LEU 8 -10.405 5.414 2.795
47 HB2 LEU 8 HB2 LEU 8 -9.463 7.609 4.256
48 HB3 LEU 8 HB3 LEU 8 -9.956 8.299 2.710
49 HG LEU 8 HG LEU 8 -11.733 6.367 4.203
50 HD11 LEU 8 HD11 LEU 8 -12.908 8.392 5.091
51 HD12 LEU 8 HD12 LEU 8 -11.577 9.383 4.493
52 HD13 LEU 8 HD13 LEU 8 -11.287 8.189 5.758
53 HD21 LEU 8 HD21 LEU 8 -12.408 6.722 1.934
54 HD22 LEU 8 HD22 LEU 8 -12.101 8.455 2.040
55 HD23 LEU 8 HD23 LEU 8 -13.461 7.746 2.909
56 H THR 9 H THR 9 -7.694 5.431 1.165
57 HA THR 9 HA THR 9 -8.972 6.274 -1.384
58 HB THR 9 HB THR 9 -6.209 7.221 -0.558
59 HG1 THR 9 HG1 THR 9 -8.721 8.526 -0.369
60 HG21 THR 9 HG21 THR 9 -8.049 7.672 -2.879
61 HG22 THR 9 HG22 THR 9 -6.304 7.411 -2.868
62 HG23 THR 9 HG23 THR 9 -6.965 8.974 -2.388
63 H ILE 10 H ILE 10 -7.935 3.718 0.021
64 HA ILE 10 HA ILE 10 -6.415 2.689 -2.322
65 HB ILE 10 HB ILE 10 -4.851 1.573 -0.616
66 HG12 ILE 10 HG12 ILE 10 -5.513 3.790 1.270
67 HG13 ILE 10 HG13 ILE 10 -6.597 2.400 1.259
68 HG21 ILE 10 HG21 ILE 10 -3.364 3.401 -0.652
69 HG22 ILE 10 HG22 ILE 10 -4.670 4.580 -0.534
70 HG23 ILE 10 HG23 ILE 10 -4.417 3.693 -2.037
71 HD11 ILE 10 HD11 ILE 10 -4.922 0.916 1.934
72 HD12 ILE 10 HD12 ILE 10 -4.506 2.373 2.838
73 HD13 ILE 10 HD13 ILE 10 -3.625 1.968 1.365
74 HA PRO 11 HA PRO 11 -9.239 -0.642 -1.590
75 HB2 PRO 11 HB2 PRO 11 -8.079 -2.509 -3.226
76 HB3 PRO 11 HB3 PRO 11 -9.033 -1.143 -3.837
77 HG2 PRO 11 HG2 PRO 11 -6.080 -1.475 -3.696
78 HG3 PRO 11 HG3 PRO 11 -7.074 -0.730 -4.958
79 HD2 PRO 11 HD2 PRO 11 -5.676 0.697 -3.100
80 HD3 PRO 11 HD3 PRO 11 -7.160 1.285 -3.883
81 HA PRO 12 HA PRO 12 -7.402 -3.300 1.401
82 HB2 PRO 12 HB2 PRO 12 -8.648 -5.703 0.978
83 HB3 PRO 12 HB3 PRO 12 -9.458 -4.304 1.713
84 HG2 PRO 12 HG2 PRO 12 -9.595 -5.314 -1.085
85 HG3 PRO 12 HG3 PRO 12 -10.877 -4.653 -0.059
86 HD2 PRO 12 HD2 PRO 12 -9.651 -3.223 -2.022
87 HD3 PRO 12 HD3 PRO 12 -10.341 -2.482 -0.561
88 H VAL 13 H VAL 13 -7.371 -4.521 -1.929
89 HA VAL 13 HA VAL 13 -5.429 -6.623 -1.498
90 HB VAL 13 HB VAL 13 -7.092 -6.357 -3.396
91 HG11 VAL 13 HG11 VAL 13 -6.524 -3.914 -3.776
92 HG12 VAL 13 HG12 VAL 13 -6.578 -4.898 -5.236
93 HG13 VAL 13 HG13 VAL 13 -5.025 -4.455 -4.529
94 HG21 VAL 13 HG21 VAL 13 -5.205 -7.957 -3.503
95 HG22 VAL 13 HG22 VAL 13 -4.180 -6.693 -4.183
96 HG23 VAL 13 HG23 VAL 13 -5.569 -7.288 -5.093
97 H VAL 14 H VAL 14 -5.137 -3.156 -2.301
98 HA VAL 14 HA VAL 14 -2.343 -3.235 -3.009
99 HB VAL 14 HB VAL 14 -4.229 -1.431 -3.336
100 HG11 VAL 14 HG11 VAL 14 -2.931 -0.193 -0.925
101 HG12 VAL 14 HG12 VAL 14 -4.339 -1.232 -0.718
102 HG13 VAL 14 HG13 VAL 14 -4.457 0.222 -1.705
103 HG21 VAL 14 HG21 VAL 14 -2.432 0.345 -3.450
104 HG22 VAL 14 HG22 VAL 14 -2.030 -1.159 -4.279
105 HG23 VAL 14 HG23 VAL 14 -1.334 -0.813 -2.697
106 H ALA 15 H ALA 15 -4.040 -2.999 0.092
107 HA ALA 15 HA ALA 15 -1.874 -2.144 1.749
108 HB1 ALA 15 HB1 ALA 15 -3.247 -3.175 3.535
109 HB2 ALA 15 HB2 ALA 15 -4.181 -4.042 2.316
110 HB3 ALA 15 HB3 ALA 15 -4.266 -2.282 2.405
111 H LEU 16 H LEU 16 -2.878 -5.383 0.642
112 HA LEU 16 HA LEU 16 -0.804 -6.815 2.107
113 HB2 LEU 16 HB2 LEU 16 -2.995 -7.759 1.386
114 HB3 LEU 16 HB3 LEU 16 -2.509 -7.572 -0.299
115 HG LEU 16 HG LEU 16 -0.412 -8.983 0.453
116 HD11 LEU 16 HD11 LEU 16 -1.403 -10.728 2.170
117 HD12 LEU 16 HD12 LEU 16 -2.407 -9.363 2.662
118 HD13 LEU 16 HD13 LEU 16 -0.649 -9.244 2.753
119 HD21 LEU 16 HD21 LEU 16 -3.147 -10.271 0.178
120 HD22 LEU 16 HD22 LEU 16 -1.595 -11.021 -0.196
121 HD23 LEU 16 HD23 LEU 16 -2.180 -9.675 -1.172
122 H VAL 17 H VAL 17 -1.170 -5.544 -1.202
123 HA VAL 17 HA VAL 17 1.216 -6.708 -2.319
124 HB VAL 17 HB VAL 17 -0.460 -4.262 -2.967
125 HG11 VAL 17 HG11 VAL 17 0.721 -4.766 -5.305
126 HG12 VAL 17 HG12 VAL 17 2.006 -5.361 -4.256
127 HG13 VAL 17 HG13 VAL 17 1.461 -3.689 -4.121
128 HG21 VAL 17 HG21 VAL 17 -1.361 -6.693 -3.125
129 HG22 VAL 17 HG22 VAL 17 -0.267 -6.858 -4.497
130 HG23 VAL 17 HG23 VAL 17 -1.555 -5.655 -4.537
131 H VAL 18 H VAL 18 0.603 -3.675 -0.552
132 HA VAL 18 HA VAL 18 3.314 -2.644 -0.972
133 HB VAL 18 HB VAL 18 0.980 -1.889 0.821
134 HG11 VAL 18 HG11 VAL 18 2.398 0.337 0.881
135 HG12 VAL 18 HG12 VAL 18 3.750 -0.752 0.578
136 HG13 VAL 18 HG13 VAL 18 2.754 -0.962 2.018
137 HG21 VAL 18 HG21 VAL 18 2.124 -0.337 -1.503
138 HG22 VAL 18 HG22 VAL 18 0.520 -0.213 -0.782
139 HG23 VAL 18 HG23 VAL 18 0.940 -1.616 -1.764
140 H MET 19 H MET 19 1.582 -4.411 1.592
141 HA MET 19 HA MET 19 3.509 -4.195 3.681
142 HB2 MET 19 HB2 MET 19 1.123 -5.097 3.711
143 HB3 MET 19 HB3 MET 19 1.769 -6.591 3.036
144 HG2 MET 19 HG2 MET 19 3.207 -6.910 4.963
145 HG3 MET 19 HG3 MET 19 2.762 -5.330 5.608
146 HE1 MET 19 HE1 MET 19 1.016 -7.449 8.220
147 HE2 MET 19 HE2 MET 19 2.101 -6.112 7.846
148 HE3 MET 19 HE3 MET 19 2.586 -7.763 7.464
149 H SER 20 H SER 20 3.199 -6.680 1.102
150 HA SER 20 HA SER 20 5.400 -8.314 1.908
151 HB2 SER 20 HB2 SER 20 5.298 -9.039 -0.504
152 HB3 SER 20 HB3 SER 20 3.728 -9.030 0.292
153 HG SER 20 HG SER 20 3.105 -7.506 -1.019
154 H ARG 21 H ARG 21 5.259 -5.527 -0.330
155 HA ARG 21 HA ARG 21 8.079 -5.567 -0.999
156 HB2 ARG 21 HB2 ARG 21 5.757 -3.667 -1.248
157 HB3 ARG 21 HB3 ARG 21 7.383 -3.104 -1.636
158 HG2 ARG 21 HG2 ARG 21 7.615 -5.109 -3.163
159 HG3 ARG 21 HG3 ARG 21 5.899 -5.423 -2.900
160 HD2 ARG 21 HD2 ARG 21 6.381 -2.623 -3.597
161 HD3 ARG 21 HD3 ARG 21 6.954 -3.734 -4.857
162 HE ARG 21 HE ARG 21 4.196 -3.943 -3.698
163 HH11 ARG 21 HH11 ARG 21 4.316 -2.246 -6.098
164 HH12 ARG 21 HH12 ARG 21 4.081 -3.371 -7.394
165 HH21 ARG 21 HH21 ARG 21 4.808 -6.159 -5.449
166 HH22 ARG 21 HH22 ARG 21 4.358 -5.598 -7.023
167 H PHE 22 H PHE 22 6.139 -3.931 1.499
168 HA PHE 22 HA PHE 22 8.013 -2.058 2.484
169 HB2 PHE 22 HB2 PHE 22 5.499 -2.951 3.130
170 HB3 PHE 22 HB3 PHE 22 6.438 -3.566 4.488
171 HD1 PHE 22 HD1 PHE 22 7.691 -2.025 5.959
172 HD2 PHE 22 HD2 PHE 22 5.198 -0.575 2.774
173 HE1 PHE 22 HE2 PHE 22 7.743 0.247 6.952
174 HE2 PHE 22 HE1 PHE 22 5.252 1.697 3.768
175 HZ PHE 22 HZ PHE 22 6.524 2.108 5.856
176 H GLY 23 H GLY 23 7.605 -5.504 3.390
177 HA2 GLY 23 HA2 GLY 23 9.832 -5.501 5.247
178 HA3 GLY 23 HA3 GLY 23 9.024 -6.934 4.611
179 H PHE 24 H PHE 24 9.425 -6.504 1.843
180 HA PHE 24 HA PHE 24 12.055 -7.567 1.444
181 HB2 PHE 24 HB2 PHE 24 9.684 -6.945 -0.048
182 HB3 PHE 24 HB3 PHE 24 11.069 -6.303 -0.928
183 HD1 PHE 24 HD1 PHE 24 12.995 -7.824 -1.500
184 HD2 PHE 24 HD2 PHE 24 9.295 -9.297 0.113
185 HE1 PHE 24 HE2 PHE 24 13.577 -10.111 -2.256
186 HE2 PHE 24 HE1 PHE 24 9.879 -11.586 -0.645
187 HZ PHE 24 HZ PHE 24 12.019 -11.993 -1.829
188 H PHE 25 H PHE 25 10.755 -4.283 0.835
189 HA PHE 25 HA PHE 25 13.228 -3.134 -0.089
190 HB2 PHE 25 HB2 PHE 25 10.559 -2.202 0.899
191 HB3 PHE 25 HB3 PHE 25 11.853 -1.012 0.782
192 HD1 PHE 25 HD1 PHE 25 10.070 -3.653 -1.179
193 HD2 PHE 25 HD2 PHE 25 12.449 -0.079 -1.301
194 HE1 PHE 25 HE1 PHE 25 9.722 -3.507 -3.628
195 HE2 PHE 25 HE2 PHE 25 12.100 0.066 -3.752
196 HZ PHE 25 HZ PHE 25 10.736 -1.647 -4.915
197 H ALA 26 H ALA 26 11.811 -3.515 3.152
198 HA ALA 26 HA ALA 26 13.528 -1.743 4.594
199 HB1 ALA 26 HB1 ALA 26 12.054 -4.299 5.279
200 HB2 ALA 26 HB2 ALA 26 11.555 -2.640 5.613
201 HB3 ALA 26 HB3 ALA 26 12.907 -3.350 6.496
202 H HIS 27 H HIS 27 13.933 -5.165 3.658
203 HA HIS 27 HA HIS 27 16.535 -5.384 5.018
204 HB2 HIS 27 HB2 HIS 27 14.658 -7.164 4.581
205 HB3 HIS 27 HB3 HIS 27 15.397 -7.300 2.986
206 HD1 HIS 27 HD1 HIS 27 16.664 -7.230 6.599
207 HD2 HIS 27 HD2 HIS 27 17.385 -9.204 2.997
208 HE1 HIS 27 HE1 HIS 27 18.505 -8.909 7.056
209 H LEU 28 H LEU 28 15.334 -5.190 1.652
210 HA LEU 28 HA LEU 28 17.870 -5.440 0.338
211 HB2 LEU 28 HB2 LEU 28 15.104 -4.554 -0.263
212 HB3 LEU 28 HB3 LEU 28 16.342 -3.886 -1.323
213 HG LEU 28 HG LEU 28 15.403 -6.036 -2.175
214 HD11 LEU 28 HD11 LEU 28 17.867 -5.207 -2.445
215 HD12 LEU 28 HD12 LEU 28 17.470 -6.864 -2.903
216 HD13 LEU 28 HD13 LEU 28 18.255 -6.541 -1.358
217 HD21 LEU 28 HD21 LEU 28 16.876 -7.438 0.047
218 HD22 LEU 28 HD22 LEU 28 15.599 -8.055 -1.000
219 HD23 LEU 28 HD23 LEU 28 15.209 -6.918 0.290
220 H LEU 29 H LEU 29 16.116 -2.593 1.588
221 HA LEU 29 HA LEU 29 18.526 -0.914 0.970
222 HB2 LEU 29 HB2 LEU 29 16.284 -0.454 -0.143
223 HB3 LEU 29 HB3 LEU 29 15.666 -0.032 1.454
224 HG LEU 29 HG LEU 29 17.768 1.547 1.543
225 HD11 LEU 29 HD11 LEU 29 18.821 0.742 -0.510
226 HD12 LEU 29 HD12 LEU 29 18.329 2.420 -0.729
227 HD13 LEU 29 HD13 LEU 29 17.369 1.121 -1.436
228 HD21 LEU 29 HD21 LEU 29 15.161 1.922 0.098
229 HD22 LEU 29 HD22 LEU 29 16.343 3.232 0.087
230 HD23 LEU 29 HD23 LEU 29 15.706 2.633 1.618
231 HA PRO 30 HA PRO 30 18.359 -1.266 5.558
232 HB2 PRO 30 HB2 PRO 30 21.078 -1.216 5.885
233 HB3 PRO 30 HB3 PRO 30 20.174 -2.702 5.538
234 HG2 PRO 30 HG2 PRO 30 21.756 -0.976 3.698
235 HG3 PRO 30 HG3 PRO 30 21.624 -2.741 3.756
236 HD2 PRO 30 HD2 PRO 30 20.291 -1.199 1.945
237 HD3 PRO 30 HD3 PRO 30 19.697 -2.771 2.524
238 H ARG 31 H ARG 31 17.574 0.844 5.938
239 HA ARG 31 HA ARG 31 19.593 3.064 5.797
240 HB2 ARG 31 HB2 ARG 31 17.106 2.738 4.512
241 HB3 ARG 31 HB3 ARG 31 16.811 3.903 5.803
242 HG2 ARG 31 HG2 ARG 31 18.463 5.395 4.990
243 HG3 ARG 31 HG3 ARG 31 19.191 4.160 3.963
244 HD2 ARG 31 HD2 ARG 31 17.797 4.678 2.253
245 HD3 ARG 31 HD3 ARG 31 16.376 4.527 3.304
246 HE ARG 31 HE ARG 31 16.763 6.861 4.036
247 HH11 ARG 31 HH11 ARG 31 16.320 7.113 1.109
248 HH12 ARG 31 HH12 ARG 31 17.677 8.060 0.599
249 HH21 ARG 31 HH21 ARG 31 19.507 7.472 3.496
250 HH22 ARG 31 HH22 ARG 31 19.489 8.264 1.957
Start of MODEL 37
1 HA ASP 1 HA ASP 1 -4.966 -9.034 12.411
2 HB2 ASP 1 HB2 ASP 1 -4.349 -10.638 14.309
3 HB3 ASP 1 HB3 ASP 1 -5.934 -10.284 14.997
4 H THR 2 H THR 2 -6.992 -8.708 11.485
5 HA THR 2 HA THR 2 -9.095 -7.397 13.185
6 HB THR 2 HB THR 2 -8.424 -6.892 10.265
7 HG1 THR 2 HG1 THR 2 -7.075 -5.437 10.946
8 HG21 THR 2 HG21 THR 2 -9.780 -4.746 10.920
9 HG22 THR 2 HG22 THR 2 -10.409 -5.763 12.215
10 HG23 THR 2 HG23 THR 2 -10.646 -6.232 10.531
11 H GLU 3 H GLU 3 -11.318 -7.843 12.480
12 HA GLU 3 HA GLU 3 -11.623 -10.567 11.376
13 HB2 GLU 3 HB2 GLU 3 -12.832 -9.116 13.367
14 HB3 GLU 3 HB3 GLU 3 -13.996 -8.932 12.056
15 HG2 GLU 3 HG2 GLU 3 -12.886 -11.578 13.044
16 HG3 GLU 3 HG3 GLU 3 -14.480 -10.935 13.438
17 H ILE 4 H ILE 4 -11.094 -10.177 9.133
18 HA ILE 4 HA ILE 4 -11.542 -9.594 6.891
19 HB ILE 4 HB ILE 4 -14.372 -9.527 7.993
20 HG12 ILE 4 HG12 ILE 4 -12.915 -11.939 6.887
21 HG13 ILE 4 HG13 ILE 4 -12.926 -11.568 8.610
22 HG21 ILE 4 HG21 ILE 4 -14.169 -8.759 5.663
23 HG22 ILE 4 HG22 ILE 4 -14.959 -10.334 5.723
24 HG23 ILE 4 HG23 ILE 4 -13.263 -10.216 5.252
25 HD11 ILE 4 HD11 ILE 4 -15.484 -11.451 8.403
26 HD12 ILE 4 HD12 ILE 4 -14.754 -13.053 8.299
27 HD13 ILE 4 HD13 ILE 4 -15.277 -12.226 6.832
28 H ILE 5 H ILE 5 -10.502 -7.417 7.773
29 HA ILE 5 HA ILE 5 -10.398 -5.079 7.511
30 HB ILE 5 HB ILE 5 -13.032 -5.522 6.063
31 HG12 ILE 5 HG12 ILE 5 -11.141 -6.941 5.216
32 HG13 ILE 5 HG13 ILE 5 -11.699 -5.757 4.038
33 HG21 ILE 5 HG21 ILE 5 -12.676 -3.176 6.507
34 HG22 ILE 5 HG22 ILE 5 -12.288 -3.466 4.812
35 HG23 ILE 5 HG23 ILE 5 -10.992 -3.283 5.994
36 HD11 ILE 5 HD11 ILE 5 -9.381 -5.196 5.898
37 HD12 ILE 5 HD12 ILE 5 -9.827 -4.334 4.426
38 HD13 ILE 5 HD13 ILE 5 -9.159 -5.963 4.326
39 H GLY 6 H GLY 6 -10.724 -3.758 9.236
40 HA2 GLY 6 HA2 GLY 6 -13.337 -3.904 10.678
41 HA3 GLY 6 HA3 GLY 6 -11.822 -3.348 11.390
42 H GLY 7 H GLY 7 -10.886 -1.468 9.696
43 HA2 GLY 7 HA2 GLY 7 -12.599 0.791 10.174
44 HA3 GLY 7 HA3 GLY 7 -11.133 0.812 9.196
45 H LEU 8 H LEU 8 -12.090 -1.287 7.357
46 HA LEU 8 HA LEU 8 -13.248 -1.437 5.310
47 HB2 LEU 8 HB2 LEU 8 -15.108 -0.442 7.374
48 HB3 LEU 8 HB3 LEU 8 -15.619 -0.097 5.723
49 HG LEU 8 HG LEU 8 -14.865 -2.656 5.388
50 HD11 LEU 8 HD11 LEU 8 -14.227 -2.795 7.828
51 HD12 LEU 8 HD12 LEU 8 -15.412 -3.998 7.322
52 HD13 LEU 8 HD13 LEU 8 -15.931 -2.575 8.225
53 HD21 LEU 8 HD21 LEU 8 -17.283 -3.245 5.811
54 HD22 LEU 8 HD22 LEU 8 -17.060 -1.818 4.800
55 HD23 LEU 8 HD23 LEU 8 -17.496 -1.635 6.500
56 H THR 9 H THR 9 -11.479 0.955 5.826
57 HA THR 9 HA THR 9 -12.707 2.795 3.796
58 HB THR 9 HB THR 9 -10.951 3.555 6.155
59 HG1 THR 9 HG1 THR 9 -12.825 2.984 7.073
60 HG21 THR 9 HG21 THR 9 -12.281 5.793 5.500
61 HG22 THR 9 HG22 THR 9 -12.263 5.019 3.916
62 HG23 THR 9 HG23 THR 9 -10.746 5.362 4.748
63 H ILE 10 H ILE 10 -10.561 0.496 3.821
64 HA ILE 10 HA ILE 10 -8.579 1.990 2.168
65 HB ILE 10 HB ILE 10 -6.777 0.655 3.369
66 HG12 ILE 10 HG12 ILE 10 -8.454 0.337 5.766
67 HG13 ILE 10 HG13 ILE 10 -8.927 -0.723 4.438
68 HG21 ILE 10 HG21 ILE 10 -8.321 2.443 5.252
69 HG22 ILE 10 HG22 ILE 10 -7.445 3.078 3.859
70 HG23 ILE 10 HG23 ILE 10 -6.574 2.232 5.138
71 HD11 ILE 10 HD11 ILE 10 -7.230 -1.813 5.848
72 HD12 ILE 10 HD12 ILE 10 -6.129 -0.462 5.579
73 HD13 ILE 10 HD13 ILE 10 -6.591 -1.505 4.234
74 HA PRO 11 HA PRO 11 -9.065 -1.578 -0.381
75 HB2 PRO 11 HB2 PRO 11 -6.777 -1.405 -1.870
76 HB3 PRO 11 HB3 PRO 11 -8.158 -0.312 -2.090
77 HG2 PRO 11 HG2 PRO 11 -5.577 0.157 -0.704
78 HG3 PRO 11 HG3 PRO 11 -6.572 1.272 -1.651
79 HD2 PRO 11 HD2 PRO 11 -6.473 1.209 1.102
80 HD3 PRO 11 HD3 PRO 11 -7.815 1.882 0.152
81 HA PRO 12 HA PRO 12 -6.671 -4.496 2.050
82 HB2 PRO 12 HB2 PRO 12 -7.920 -6.750 1.122
83 HB3 PRO 12 HB3 PRO 12 -8.627 -5.684 2.352
84 HG2 PRO 12 HG2 PRO 12 -9.211 -5.861 -0.559
85 HG3 PRO 12 HG3 PRO 12 -10.312 -5.585 0.799
86 HD2 PRO 12 HD2 PRO 12 -9.417 -3.602 -0.851
87 HD3 PRO 12 HD3 PRO 12 -9.912 -3.335 0.836
88 H VAL 13 H VAL 13 -7.335 -5.088 -1.432
89 HA VAL 13 HA VAL 13 -5.127 -6.882 -1.872
90 HB VAL 13 HB VAL 13 -6.648 -5.003 -3.720
91 HG11 VAL 13 HG11 VAL 13 -4.820 -7.354 -4.300
92 HG12 VAL 13 HG12 VAL 13 -4.593 -5.680 -4.809
93 HG13 VAL 13 HG13 VAL 13 -5.907 -6.640 -5.492
94 HG21 VAL 13 HG21 VAL 13 -7.769 -7.255 -4.308
95 HG22 VAL 13 HG22 VAL 13 -8.206 -6.523 -2.764
96 HG23 VAL 13 HG23 VAL 13 -7.056 -7.860 -2.813
97 H VAL 14 H VAL 14 -5.470 -3.352 -2.440
98 HA VAL 14 HA VAL 14 -2.807 -2.900 -3.404
99 HB VAL 14 HB VAL 14 -4.805 -1.136 -1.940
100 HG11 VAL 14 HG11 VAL 14 -3.522 0.743 -3.018
101 HG12 VAL 14 HG12 VAL 14 -2.284 -0.427 -3.470
102 HG13 VAL 14 HG13 VAL 14 -2.616 -0.107 -1.767
103 HG21 VAL 14 HG21 VAL 14 -5.423 -2.206 -4.189
104 HG22 VAL 14 HG22 VAL 14 -4.142 -1.220 -4.894
105 HG23 VAL 14 HG23 VAL 14 -5.522 -0.447 -4.115
106 H ALA 15 H ALA 15 -4.192 -2.798 -0.106
107 HA ALA 15 HA ALA 15 -1.845 -1.872 1.258
108 HB1 ALA 15 HB1 ALA 15 -3.046 -2.960 3.224
109 HB2 ALA 15 HB2 ALA 15 -4.232 -3.558 2.065
110 HB3 ALA 15 HB3 ALA 15 -4.020 -1.822 2.294
111 H LEU 16 H LEU 16 -2.986 -5.169 0.467
112 HA LEU 16 HA LEU 16 -0.936 -6.595 1.898
113 HB2 LEU 16 HB2 LEU 16 -3.206 -7.332 0.854
114 HB3 LEU 16 HB3 LEU 16 -2.284 -7.531 -0.637
115 HG LEU 16 HG LEU 16 -0.632 -8.891 0.885
116 HD11 LEU 16 HD11 LEU 16 -1.922 -10.104 2.685
117 HD12 LEU 16 HD12 LEU 16 -3.218 -8.928 2.467
118 HD13 LEU 16 HD13 LEU 16 -1.633 -8.398 3.029
119 HD21 LEU 16 HD21 LEU 16 -2.082 -10.946 0.512
120 HD22 LEU 16 HD22 LEU 16 -1.825 -9.948 -0.920
121 HD23 LEU 16 HD23 LEU 16 -3.352 -9.855 -0.043
122 H VAL 17 H VAL 17 -1.124 -5.385 -1.457
123 HA VAL 17 HA VAL 17 1.290 -6.598 -2.429
124 HB VAL 17 HB VAL 17 -0.251 -4.087 -3.175
125 HG11 VAL 17 HG11 VAL 17 1.854 -5.539 -4.808
126 HG12 VAL 17 HG12 VAL 17 2.129 -4.013 -3.966
127 HG13 VAL 17 HG13 VAL 17 0.960 -4.095 -5.285
128 HG21 VAL 17 HG21 VAL 17 -1.005 -6.707 -3.376
129 HG22 VAL 17 HG22 VAL 17 -0.192 -6.477 -4.924
130 HG23 VAL 17 HG23 VAL 17 -1.549 -5.443 -4.478
131 H VAL 18 H VAL 18 0.674 -3.543 -0.711
132 HA VAL 18 HA VAL 18 3.445 -2.606 -0.966
133 HB VAL 18 HB VAL 18 1.066 -1.702 0.696
134 HG11 VAL 18 HG11 VAL 18 2.924 -0.739 1.771
135 HG12 VAL 18 HG12 VAL 18 2.453 0.504 0.611
136 HG13 VAL 18 HG13 VAL 18 3.819 -0.556 0.263
137 HG21 VAL 18 HG21 VAL 18 1.431 -1.612 -2.056
138 HG22 VAL 18 HG22 VAL 18 1.986 -0.023 -1.529
139 HG23 VAL 18 HG23 VAL 18 0.354 -0.565 -1.133
140 H MET 19 H MET 19 1.498 -4.322 1.457
141 HA MET 19 HA MET 19 3.122 -4.019 3.757
142 HB2 MET 19 HB2 MET 19 1.226 -6.070 2.666
143 HB3 MET 19 HB3 MET 19 2.153 -6.480 4.109
144 HG2 MET 19 HG2 MET 19 0.774 -3.821 4.002
145 HG3 MET 19 HG3 MET 19 -0.193 -5.261 4.320
146 HE1 MET 19 HE1 MET 19 0.641 -6.516 7.640
147 HE2 MET 19 HE2 MET 19 1.281 -7.230 6.161
148 HE3 MET 19 HE3 MET 19 -0.333 -6.525 6.163
149 H SER 20 H SER 20 3.228 -6.734 1.395
150 HA SER 20 HA SER 20 5.614 -7.935 2.450
151 HB2 SER 20 HB2 SER 20 4.142 -7.989 -0.187
152 HB3 SER 20 HB3 SER 20 5.623 -8.916 0.042
153 HG SER 20 HG SER 20 4.286 -10.327 0.866
154 H ARG 21 H ARG 21 5.094 -5.594 -0.205
155 HA ARG 21 HA ARG 21 7.776 -5.394 -1.139
156 HB2 ARG 21 HB2 ARG 21 5.483 -4.431 -1.975
157 HB3 ARG 21 HB3 ARG 21 5.886 -3.053 -0.952
158 HG2 ARG 21 HG2 ARG 21 6.953 -2.324 -2.841
159 HG3 ARG 21 HG3 ARG 21 8.245 -3.367 -2.248
160 HD2 ARG 21 HD2 ARG 21 7.870 -3.936 -4.578
161 HD3 ARG 21 HD3 ARG 21 7.186 -5.255 -3.608
162 HE ARG 21 HE ARG 21 5.336 -3.042 -4.270
163 HH11 ARG 21 HH11 ARG 21 4.284 -5.674 -3.468
164 HH12 ARG 21 HH12 ARG 21 3.880 -6.416 -4.982
165 HH21 ARG 21 HH21 ARG 21 5.789 -4.209 -6.870
166 HH22 ARG 21 HH22 ARG 21 4.730 -5.580 -6.915
167 H PHE 22 H PHE 22 6.105 -3.694 1.523
168 HA PHE 22 HA PHE 22 8.173 -1.834 2.187
169 HB2 PHE 22 HB2 PHE 22 5.726 -2.005 2.964
170 HB3 PHE 22 HB3 PHE 22 6.290 -3.208 4.122
171 HD1 PHE 22 HD1 PHE 22 6.619 0.331 3.051
172 HD2 PHE 22 HD2 PHE 22 7.540 -2.580 6.073
173 HE1 PHE 22 HE2 PHE 22 7.367 2.144 4.571
174 HE2 PHE 22 HE1 PHE 22 8.287 -0.768 7.592
175 HZ PHE 22 HZ PHE 22 8.201 1.594 6.840
176 H GLY 23 H GLY 23 7.496 -5.114 3.492
177 HA2 GLY 23 HA2 GLY 23 9.766 -5.190 5.253
178 HA3 GLY 23 HA3 GLY 23 8.883 -6.603 4.670
179 H PHE 24 H PHE 24 9.274 -6.299 1.898
180 HA PHE 24 HA PHE 24 11.826 -7.508 1.478
181 HB2 PHE 24 HB2 PHE 24 9.496 -6.675 -0.013
182 HB3 PHE 24 HB3 PHE 24 10.948 -6.225 -0.906
183 HD1 PHE 24 HD1 PHE 24 9.199 -9.070 0.744
184 HD2 PHE 24 HD2 PHE 24 12.315 -7.868 -1.959
185 HE1 PHE 24 HE1 PHE 24 9.509 -11.431 0.049
186 HE2 PHE 24 HE2 PHE 24 12.624 -10.228 -2.653
187 HZ PHE 24 HZ PHE 24 11.220 -12.010 -1.649
188 H PHE 25 H PHE 25 10.750 -4.119 1.112
189 HA PHE 25 HA PHE 25 13.199 -3.087 0.011
190 HB2 PHE 25 HB2 PHE 25 10.630 -2.159 0.963
191 HB3 PHE 25 HB3 PHE 25 11.902 -1.098 1.565
192 HD1 PHE 25 HD1 PHE 25 13.806 -0.561 -0.265
193 HD2 PHE 25 HD2 PHE 25 9.752 -1.683 -1.140
194 HE1 PHE 25 HE1 PHE 25 14.001 0.480 -2.507
195 HE2 PHE 25 HE2 PHE 25 9.948 -0.642 -3.382
196 HZ PHE 25 HZ PHE 25 12.073 0.440 -4.066
197 H ALA 26 H ALA 26 12.022 -3.387 3.377
198 HA ALA 26 HA ALA 26 14.214 -2.038 4.649
199 HB1 ALA 26 HB1 ALA 26 12.538 -4.334 5.706
200 HB2 ALA 26 HB2 ALA 26 11.944 -2.678 5.589
201 HB3 ALA 26 HB3 ALA 26 13.304 -3.055 6.648
202 H HIS 27 H HIS 27 13.741 -5.417 3.646
203 HA HIS 27 HA HIS 27 16.126 -6.460 4.924
204 HB2 HIS 27 HB2 HIS 27 13.946 -7.598 4.029
205 HB3 HIS 27 HB3 HIS 27 14.780 -7.600 2.476
206 HD1 HIS 27 HD1 HIS 27 15.487 -10.004 2.230
207 HD2 HIS 27 HD2 HIS 27 16.436 -8.475 5.991
208 HE1 HIS 27 HE1 HIS 27 16.867 -11.777 3.397
209 H LEU 28 H LEU 28 15.432 -5.036 1.746
210 HA LEU 28 HA LEU 28 18.102 -5.718 0.683
211 HB2 LEU 28 HB2 LEU 28 15.649 -4.245 -0.297
212 HB3 LEU 28 HB3 LEU 28 17.140 -4.273 -1.238
213 HG LEU 28 HG LEU 28 15.867 -6.815 -0.214
214 HD11 LEU 28 HD11 LEU 28 15.481 -5.816 -3.024
215 HD12 LEU 28 HD12 LEU 28 14.379 -5.292 -1.749
216 HD13 LEU 28 HD13 LEU 28 14.539 -7.007 -2.128
217 HD21 LEU 28 HD21 LEU 28 17.141 -7.754 -2.162
218 HD22 LEU 28 HD22 LEU 28 18.182 -7.000 -0.954
219 HD23 LEU 28 HD23 LEU 28 17.807 -6.146 -2.452
220 H LEU 29 H LEU 29 16.310 -2.723 1.526
221 HA LEU 29 HA LEU 29 18.808 -1.133 1.313
222 HB2 LEU 29 HB2 LEU 29 16.611 -0.407 0.350
223 HB3 LEU 29 HB3 LEU 29 15.953 -0.346 1.984
224 HG LEU 29 HG LEU 29 18.115 1.174 2.394
225 HD11 LEU 29 HD11 LEU 29 17.416 1.733 -0.503
226 HD12 LEU 29 HD12 LEU 29 18.849 0.839 0.005
227 HD13 LEU 29 HD13 LEU 29 18.657 2.530 0.465
228 HD21 LEU 29 HD21 LEU 29 15.817 1.891 2.807
229 HD22 LEU 29 HD22 LEU 29 15.534 2.077 1.077
230 HD23 LEU 29 HD23 LEU 29 16.661 3.151 1.907
231 HA PRO 30 HA PRO 30 19.204 -1.780 5.755
232 HB2 PRO 30 HB2 PRO 30 21.701 -0.679 5.963
233 HB3 PRO 30 HB3 PRO 30 21.419 -2.331 5.383
234 HG2 PRO 30 HG2 PRO 30 22.004 0.140 3.842
235 HG3 PRO 30 HG3 PRO 30 22.535 -1.524 3.555
236 HD2 PRO 30 HD2 PRO 30 20.510 -0.296 2.175
237 HD3 PRO 30 HD3 PRO 30 20.654 -2.055 2.381
238 H ARG 31 H ARG 31 17.492 -0.114 6.050
239 HA ARG 31 HA ARG 31 18.628 2.461 7.039
240 HB2 ARG 31 HB2 ARG 31 17.190 2.056 4.591
241 HB3 ARG 31 HB3 ARG 31 16.157 2.978 5.682
242 HG2 ARG 31 HG2 ARG 31 17.348 4.752 4.874
243 HG3 ARG 31 HG3 ARG 31 18.521 4.248 6.091
244 HD2 ARG 31 HD2 ARG 31 19.902 3.184 4.504
245 HD3 ARG 31 HD3 ARG 31 18.591 3.055 3.314
246 HE ARG 31 HE ARG 31 18.766 5.473 2.937
247 HH11 ARG 31 HH11 ARG 31 19.874 6.293 5.592
248 HH12 ARG 31 HH12 ARG 31 21.527 6.639 5.213
249 HH21 ARG 31 HH21 ARG 31 21.454 4.956 2.172
250 HH22 ARG 31 HH22 ARG 31 22.426 5.879 3.269
Start of MODEL 38
1 HA ASP 1 HA ASP 1 -24.188 6.808 7.513
2 HB2 ASP 1 HB2 ASP 1 -22.392 6.847 5.079
3 HB3 ASP 1 HB3 ASP 1 -24.139 7.025 4.928
4 H THR 2 H THR 2 -25.797 5.279 7.227
5 HA THR 2 HA THR 2 -25.119 2.491 6.850
6 HB THR 2 HB THR 2 -27.738 2.417 6.700
7 HG1 THR 2 HG1 THR 2 -28.087 4.548 6.152
8 HG21 THR 2 HG21 THR 2 -26.377 1.908 8.718
9 HG22 THR 2 HG22 THR 2 -27.897 2.710 9.117
10 HG23 THR 2 HG23 THR 2 -26.389 3.624 9.129
11 H GLU 3 H GLU 3 -24.396 1.852 4.844
12 HA GLU 3 HA GLU 3 -25.993 2.699 2.445
13 HB2 GLU 3 HB2 GLU 3 -23.604 3.565 2.780
14 HB3 GLU 3 HB3 GLU 3 -23.071 1.900 2.547
15 HG2 GLU 3 HG2 GLU 3 -24.868 2.404 0.440
16 HG3 GLU 3 HG3 GLU 3 -23.869 3.854 0.560
17 H ILE 4 H ILE 4 -27.334 0.895 2.253
18 HA ILE 4 HA ILE 4 -27.973 -1.399 2.183
19 HB ILE 4 HB ILE 4 -26.886 -2.409 0.157
20 HG12 ILE 4 HG12 ILE 4 -25.290 0.155 -0.009
21 HG13 ILE 4 HG13 ILE 4 -24.616 -1.311 0.704
22 HG21 ILE 4 HG21 ILE 4 -28.058 -1.018 -1.247
23 HG22 ILE 4 HG22 ILE 4 -27.369 0.448 -0.547
24 HG23 ILE 4 HG23 ILE 4 -28.664 -0.407 0.292
25 HD11 ILE 4 HD11 ILE 4 -25.865 -1.291 -2.048
26 HD12 ILE 4 HD12 ILE 4 -24.822 -2.522 -1.337
27 HD13 ILE 4 HD13 ILE 4 -24.153 -0.953 -1.788
28 H ILE 5 H ILE 5 -26.654 -1.444 4.459
29 HA ILE 5 HA ILE 5 -25.382 -2.778 5.928
30 HB ILE 5 HB ILE 5 -25.503 -4.731 3.601
31 HG12 ILE 5 HG12 ILE 5 -27.523 -4.559 5.837
32 HG13 ILE 5 HG13 ILE 5 -27.723 -3.592 4.377
33 HG21 ILE 5 HG21 ILE 5 -25.076 -4.975 6.577
34 HG22 ILE 5 HG22 ILE 5 -24.115 -5.660 5.267
35 HG23 ILE 5 HG23 ILE 5 -25.703 -6.331 5.639
36 HD11 ILE 5 HD11 ILE 5 -27.615 -5.635 3.001
37 HD12 ILE 5 HD12 ILE 5 -28.921 -5.741 4.181
38 HD13 ILE 5 HD13 ILE 5 -27.410 -6.608 4.458
39 H GLY 6 H GLY 6 -23.826 -0.905 4.649
40 HA2 GLY 6 HA2 GLY 6 -21.457 -2.305 3.533
41 HA3 GLY 6 HA3 GLY 6 -21.722 -0.561 3.517
42 H GLY 7 H GLY 7 -19.985 -2.993 5.013
43 HA2 GLY 7 HA2 GLY 7 -19.737 -1.531 7.595
44 HA3 GLY 7 HA3 GLY 7 -19.151 -3.165 7.289
45 H LEU 8 H LEU 8 -17.284 -3.346 5.738
46 HA LEU 8 HA LEU 8 -15.648 -0.882 5.432
47 HB2 LEU 8 HB2 LEU 8 -15.412 -2.468 7.661
48 HB3 LEU 8 HB3 LEU 8 -14.224 -3.211 6.592
49 HG LEU 8 HG LEU 8 -13.190 -1.441 7.964
50 HD11 LEU 8 HD11 LEU 8 -11.924 -0.548 6.245
51 HD12 LEU 8 HD12 LEU 8 -13.331 -0.233 5.229
52 HD13 LEU 8 HD13 LEU 8 -12.709 -1.875 5.390
53 HD21 LEU 8 HD21 LEU 8 -15.389 -0.104 8.070
54 HD22 LEU 8 HD22 LEU 8 -14.935 0.543 6.493
55 HD23 LEU 8 HD23 LEU 8 -13.901 0.828 7.893
56 H THR 9 H THR 9 -16.442 -1.675 3.174
57 HA THR 9 HA THR 9 -15.168 -4.074 2.078
58 HB THR 9 HB THR 9 -16.109 -2.906 -0.081
59 HG1 THR 9 HG1 THR 9 -17.126 -1.101 0.235
60 HG21 THR 9 HG21 THR 9 -17.953 -3.726 2.180
61 HG22 THR 9 HG22 THR 9 -17.141 -4.835 1.076
62 HG23 THR 9 HG23 THR 9 -18.359 -3.716 0.464
63 H ILE 10 H ILE 10 -12.903 -3.783 2.241
64 HA ILE 10 HA ILE 10 -11.768 -1.638 0.476
65 HB ILE 10 HB ILE 10 -9.876 -1.565 2.168
66 HG12 ILE 10 HG12 ILE 10 -11.822 -2.925 4.039
67 HG13 ILE 10 HG13 ILE 10 -10.613 -3.851 3.149
68 HG21 ILE 10 HG21 ILE 10 -12.634 -0.873 3.224
69 HG22 ILE 10 HG22 ILE 10 -11.703 0.119 2.102
70 HG23 ILE 10 HG23 ILE 10 -11.110 -0.152 3.740
71 HD11 ILE 10 HD11 ILE 10 -9.764 -3.231 5.377
72 HD12 ILE 10 HD12 ILE 10 -10.038 -1.527 5.012
73 HD13 ILE 10 HD13 ILE 10 -8.827 -2.439 4.110
74 HA PRO 11 HA PRO 11 -9.601 -4.992 -1.379
75 HB2 PRO 11 HB2 PRO 11 -7.489 -3.650 -2.481
76 HB3 PRO 11 HB3 PRO 11 -9.140 -3.548 -3.122
77 HG2 PRO 11 HG2 PRO 11 -7.635 -1.613 -1.452
78 HG3 PRO 11 HG3 PRO 11 -8.817 -1.320 -2.736
79 HD2 PRO 11 HD2 PRO 11 -9.351 -1.144 -0.036
80 HD3 PRO 11 HD3 PRO 11 -10.575 -1.400 -1.298
81 HA PRO 12 HA PRO 12 -6.637 -5.753 1.945
82 HB2 PRO 12 HB2 PRO 12 -6.527 -8.464 1.589
83 HB3 PRO 12 HB3 PRO 12 -7.840 -7.657 2.468
84 HG2 PRO 12 HG2 PRO 12 -7.795 -8.721 -0.304
85 HG3 PRO 12 HG3 PRO 12 -9.107 -8.714 0.883
86 HD2 PRO 12 HD2 PRO 12 -8.923 -6.966 -1.224
87 HD3 PRO 12 HD3 PRO 12 -9.809 -6.631 0.279
88 H VAL 13 H VAL 13 -6.433 -7.160 -1.336
89 HA VAL 13 HA VAL 13 -3.645 -7.838 -1.289
90 HB VAL 13 HB VAL 13 -5.569 -7.096 -3.521
91 HG11 VAL 13 HG11 VAL 13 -3.829 -8.582 -4.825
92 HG12 VAL 13 HG12 VAL 13 -2.724 -8.065 -3.552
93 HG13 VAL 13 HG13 VAL 13 -3.502 -6.866 -4.584
94 HG21 VAL 13 HG21 VAL 13 -5.560 -9.608 -3.828
95 HG22 VAL 13 HG22 VAL 13 -6.286 -9.067 -2.314
96 HG23 VAL 13 HG23 VAL 13 -4.650 -9.727 -2.321
97 H VAL 14 H VAL 14 -5.345 -4.867 -2.367
98 HA VAL 14 HA VAL 14 -3.115 -3.428 -3.377
99 HB VAL 14 HB VAL 14 -5.666 -2.601 -1.953
100 HG11 VAL 14 HG11 VAL 14 -5.165 -0.357 -3.147
101 HG12 VAL 14 HG12 VAL 14 -3.496 -0.923 -3.217
102 HG13 VAL 14 HG13 VAL 14 -4.288 -0.702 -1.656
103 HG21 VAL 14 HG21 VAL 14 -6.472 -2.157 -4.193
104 HG22 VAL 14 HG22 VAL 14 -5.778 -3.778 -4.189
105 HG23 VAL 14 HG23 VAL 14 -4.869 -2.431 -4.876
106 H ALA 15 H ALA 15 -4.463 -3.436 -0.050
107 HA ALA 15 HA ALA 15 -2.446 -1.749 1.115
108 HB1 ALA 15 HB1 ALA 15 -4.614 -2.166 2.152
109 HB2 ALA 15 HB2 ALA 15 -3.356 -2.768 3.234
110 HB3 ALA 15 HB3 ALA 15 -4.278 -3.896 2.238
111 H LEU 16 H LEU 16 -2.678 -5.256 0.601
112 HA LEU 16 HA LEU 16 -0.415 -6.048 2.187
113 HB2 LEU 16 HB2 LEU 16 -2.350 -7.170 0.365
114 HB3 LEU 16 HB3 LEU 16 -0.750 -7.773 -0.055
115 HG LEU 16 HG LEU 16 -1.877 -9.216 1.622
116 HD11 LEU 16 HD11 LEU 16 0.704 -8.565 1.555
117 HD12 LEU 16 HD12 LEU 16 0.056 -9.594 2.832
118 HD13 LEU 16 HD13 LEU 16 0.327 -7.878 3.136
119 HD21 LEU 16 HD21 LEU 16 -2.598 -8.436 3.700
120 HD22 LEU 16 HD22 LEU 16 -2.993 -7.065 2.665
121 HD23 LEU 16 HD23 LEU 16 -1.534 -7.030 3.655
122 H VAL 17 H VAL 17 -0.734 -5.171 -1.272
123 HA VAL 17 HA VAL 17 1.971 -5.713 -2.045
124 HB VAL 17 HB VAL 17 -0.149 -3.776 -3.033
125 HG11 VAL 17 HG11 VAL 17 1.830 -2.854 -3.923
126 HG12 VAL 17 HG12 VAL 17 1.291 -3.952 -5.194
127 HG13 VAL 17 HG13 VAL 17 2.592 -4.435 -4.107
128 HG21 VAL 17 HG21 VAL 17 0.083 -6.574 -3.159
129 HG22 VAL 17 HG22 VAL 17 0.583 -6.006 -4.752
130 HG23 VAL 17 HG23 VAL 17 -1.001 -5.565 -4.116
131 H VAL 18 H VAL 18 0.438 -2.780 -0.693
132 HA VAL 18 HA VAL 18 2.744 -1.062 -0.911
133 HB VAL 18 HB VAL 18 0.347 -1.092 0.961
134 HG11 VAL 18 HG11 VAL 18 2.170 1.237 0.290
135 HG12 VAL 18 HG12 VAL 18 2.310 0.286 1.769
136 HG13 VAL 18 HG13 VAL 18 0.846 1.219 1.455
137 HG21 VAL 18 HG21 VAL 18 0.128 0.987 -0.894
138 HG22 VAL 18 HG22 VAL 18 -0.749 -0.541 -0.941
139 HG23 VAL 18 HG23 VAL 18 0.758 -0.362 -1.838
140 H MET 19 H MET 19 1.487 -3.063 1.785
141 HA MET 19 HA MET 19 3.631 -2.432 3.621
142 HB2 MET 19 HB2 MET 19 1.224 -3.414 3.951
143 HB3 MET 19 HB3 MET 19 2.000 -4.968 3.639
144 HG2 MET 19 HG2 MET 19 2.695 -5.019 5.779
145 HG3 MET 19 HG3 MET 19 3.664 -3.579 5.474
146 HE1 MET 19 HE1 MET 19 1.047 -5.193 7.382
147 HE2 MET 19 HE2 MET 19 -0.076 -4.734 6.106
148 HE3 MET 19 HE3 MET 19 -0.242 -4.026 7.711
149 H SER 20 H SER 20 3.092 -5.073 1.279
150 HA SER 20 HA SER 20 5.369 -6.670 2.042
151 HB2 SER 20 HB2 SER 20 3.295 -7.269 0.652
152 HB3 SER 20 HB3 SER 20 4.094 -6.467 -0.697
153 HG SER 20 HG SER 20 4.427 -8.930 0.084
154 H ARG 21 H ARG 21 4.936 -4.078 -0.394
155 HA ARG 21 HA ARG 21 7.453 -4.276 -1.696
156 HB2 ARG 21 HB2 ARG 21 5.411 -2.856 -2.257
157 HB3 ARG 21 HB3 ARG 21 5.962 -1.725 -1.020
158 HG2 ARG 21 HG2 ARG 21 8.196 -1.661 -2.242
159 HG3 ARG 21 HG3 ARG 21 7.408 -2.536 -3.554
160 HD2 ARG 21 HD2 ARG 21 7.312 -0.145 -4.053
161 HD3 ARG 21 HD3 ARG 21 5.674 -0.689 -3.641
162 HE ARG 21 HE ARG 21 5.797 0.669 -1.715
163 HH11 ARG 21 HH11 ARG 21 8.233 1.955 -3.193
164 HH12 ARG 21 HH12 ARG 21 9.375 2.009 -1.893
165 HH21 ARG 21 HH21 ARG 21 7.567 -0.172 0.125
166 HH22 ARG 21 HH22 ARG 21 8.996 0.798 -0.004
167 H PHE 22 H PHE 22 6.554 -2.421 1.239
168 HA PHE 22 HA PHE 22 9.271 -1.414 1.651
169 HB2 PHE 22 HB2 PHE 22 6.680 -0.825 2.522
170 HB3 PHE 22 HB3 PHE 22 7.478 -1.445 3.966
171 HD1 PHE 22 HD1 PHE 22 10.044 -0.564 4.194
172 HD2 PHE 22 HD2 PHE 22 6.854 1.465 2.150
173 HE1 PHE 22 HE2 PHE 22 11.244 1.590 4.454
174 HE2 PHE 22 HE1 PHE 22 8.057 3.617 2.410
175 HZ PHE 22 HZ PHE 22 10.252 3.679 3.562
176 H GLY 23 H GLY 23 7.265 -4.033 3.017
177 HA2 GLY 23 HA2 GLY 23 9.067 -4.872 5.063
178 HA3 GLY 23 HA3 GLY 23 7.855 -5.904 4.303
179 H PHE 24 H PHE 24 8.739 -5.924 1.656
180 HA PHE 24 HA PHE 24 10.830 -7.888 1.701
181 HB2 PHE 24 HB2 PHE 24 9.198 -6.394 -0.254
182 HB3 PHE 24 HB3 PHE 24 10.774 -6.887 -0.869
183 HD1 PHE 24 HD1 PHE 24 11.482 -9.360 -0.424
184 HD2 PHE 24 HD2 PHE 24 7.433 -7.941 -0.201
185 HE1 PHE 24 HE1 PHE 24 10.652 -11.681 -0.700
186 HE2 PHE 24 HE2 PHE 24 6.606 -10.260 -0.476
187 HZ PHE 24 HZ PHE 24 8.214 -12.131 -0.726
188 H PHE 25 H PHE 25 10.867 -4.389 0.936
189 HA PHE 25 HA PHE 25 13.602 -4.190 0.136
190 HB2 PHE 25 HB2 PHE 25 11.493 -2.538 0.204
191 HB3 PHE 25 HB3 PHE 25 12.285 -1.998 1.686
192 HD1 PHE 25 HD1 PHE 25 14.717 -1.278 1.589
193 HD2 PHE 25 HD2 PHE 25 12.349 -1.949 -1.932
194 HE1 PHE 25 HE1 PHE 25 16.350 0.014 0.244
195 HE2 PHE 25 HE2 PHE 25 13.984 -0.657 -3.277
196 HZ PHE 25 HZ PHE 25 15.985 0.324 -2.188
197 H ALA 26 H ALA 26 12.087 -4.092 3.359
198 HA ALA 26 HA ALA 26 14.385 -3.273 4.865
199 HB1 ALA 26 HB1 ALA 26 12.278 -5.192 5.850
200 HB2 ALA 26 HB2 ALA 26 11.850 -3.527 5.452
201 HB3 ALA 26 HB3 ALA 26 13.039 -3.855 6.712
202 H HIS 27 H HIS 27 13.371 -6.430 3.615
203 HA HIS 27 HA HIS 27 15.611 -7.782 5.045
204 HB2 HIS 27 HB2 HIS 27 12.953 -8.425 4.350
205 HB3 HIS 27 HB3 HIS 27 13.966 -9.445 3.329
206 HD1 HIS 27 HD1 HIS 27 15.936 -10.780 4.701
207 HD2 HIS 27 HD2 HIS 27 12.724 -9.355 6.946
208 HE1 HIS 27 HE1 HIS 27 15.987 -12.034 6.902
209 H LEU 28 H LEU 28 15.050 -6.293 2.032
210 HA LEU 28 HA LEU 28 16.930 -8.116 0.591
211 HB2 LEU 28 HB2 LEU 28 14.769 -6.169 -0.138
212 HB3 LEU 28 HB3 LEU 28 16.064 -6.441 -1.303
213 HG LEU 28 HG LEU 28 14.684 -8.788 -0.022
214 HD11 LEU 28 HD11 LEU 28 13.291 -8.710 -2.246
215 HD12 LEU 28 HD12 LEU 28 13.651 -6.984 -2.195
216 HD13 LEU 28 HD13 LEU 28 12.771 -7.741 -0.867
217 HD21 LEU 28 HD21 LEU 28 16.789 -9.001 -1.413
218 HD22 LEU 28 HD22 LEU 28 15.865 -8.393 -2.788
219 HD23 LEU 28 HD23 LEU 28 15.415 -9.920 -2.030
220 H LEU 29 H LEU 29 16.317 -4.573 0.684
221 HA LEU 29 HA LEU 29 17.805 -2.750 0.751
222 HB2 LEU 29 HB2 LEU 29 18.885 -4.900 2.393
223 HB3 LEU 29 HB3 LEU 29 20.176 -3.902 1.726
224 HG LEU 29 HG LEU 29 18.362 -1.995 2.491
225 HD11 LEU 29 HD11 LEU 29 17.829 -2.729 4.902
226 HD12 LEU 29 HD12 LEU 29 18.141 -4.372 4.343
227 HD13 LEU 29 HD13 LEU 29 16.840 -3.427 3.619
228 HD21 LEU 29 HD21 LEU 29 20.346 -3.098 4.473
229 HD22 LEU 29 HD22 LEU 29 19.965 -1.416 4.109
230 HD23 LEU 29 HD23 LEU 29 20.905 -2.373 2.966
231 HA PRO 30 HA PRO 30 20.354 -2.870 -2.825
232 HB2 PRO 30 HB2 PRO 30 22.472 -1.245 -2.205
233 HB3 PRO 30 HB3 PRO 30 20.836 -0.630 -2.520
234 HG2 PRO 30 HG2 PRO 30 22.218 -1.087 0.076
235 HG3 PRO 30 HG3 PRO 30 21.142 0.230 -0.412
236 HD2 PRO 30 HD2 PRO 30 20.347 -1.858 1.143
237 HD3 PRO 30 HD3 PRO 30 19.248 -0.962 0.071
238 H ARG 31 H ARG 31 21.377 -4.788 -3.304
239 HA ARG 31 HA ARG 31 24.006 -5.358 -2.013
240 HB2 ARG 31 HB2 ARG 31 21.486 -6.717 -1.574
241 HB3 ARG 31 HB3 ARG 31 22.649 -7.826 -2.300
242 HG2 ARG 31 HG2 ARG 31 24.311 -7.177 -0.567
243 HG3 ARG 31 HG3 ARG 31 23.093 -6.147 0.186
244 HD2 ARG 31 HD2 ARG 31 21.648 -8.383 0.138
245 HD3 ARG 31 HD3 ARG 31 23.254 -9.140 0.111
246 HE ARG 31 HE ARG 31 23.794 -7.850 2.175
247 HH11 ARG 31 HH11 ARG 31 21.350 -5.985 1.696
248 HH12 ARG 31 HH12 ARG 31 20.320 -6.492 2.991
249 HH21 ARG 31 HH21 ARG 31 22.116 -9.404 3.625
250 HH22 ARG 31 HH22 ARG 31 20.754 -8.439 4.087
Start of MODEL 39
1 HA ASP 1 HA ASP 1 -30.248 -8.427 -2.009
2 HB2 ASP 1 HB2 ASP 1 -28.533 -9.431 -3.404
3 HB3 ASP 1 HB3 ASP 1 -29.119 -10.668 -2.296
4 H THR 2 H THR 2 -29.859 -6.885 -3.741
5 HA THR 2 HA THR 2 -31.743 -7.088 -6.069
6 HB THR 2 HB THR 2 -31.164 -4.627 -4.385
7 HG1 THR 2 HG1 THR 2 -32.869 -5.131 -3.233
8 HG21 THR 2 HG21 THR 2 -33.143 -5.214 -6.602
9 HG22 THR 2 HG22 THR 2 -31.818 -4.049 -6.640
10 HG23 THR 2 HG23 THR 2 -33.203 -3.774 -5.585
11 H GLU 3 H GLU 3 -30.871 -6.394 -8.012
12 HA GLU 3 HA GLU 3 -29.233 -5.754 -9.577
13 HB2 GLU 3 HB2 GLU 3 -29.755 -3.710 -7.837
14 HB3 GLU 3 HB3 GLU 3 -28.006 -3.859 -7.663
15 HG2 GLU 3 HG2 GLU 3 -27.600 -3.328 -9.893
16 HG3 GLU 3 HG3 GLU 3 -29.202 -3.852 -10.415
17 H ILE 4 H ILE 4 -28.519 -7.943 -7.658
18 HA ILE 4 HA ILE 4 -26.639 -9.234 -7.080
19 HB ILE 4 HB ILE 4 -25.441 -7.433 -9.212
20 HG12 ILE 4 HG12 ILE 4 -26.378 -10.270 -9.596
21 HG13 ILE 4 HG13 ILE 4 -27.542 -8.947 -9.664
22 HG21 ILE 4 HG21 ILE 4 -23.774 -9.207 -9.501
23 HG22 ILE 4 HG22 ILE 4 -24.523 -10.146 -8.210
24 HG23 ILE 4 HG23 ILE 4 -23.733 -8.612 -7.842
25 HD11 ILE 4 HD11 ILE 4 -25.621 -7.921 -11.259
26 HD12 ILE 4 HD12 ILE 4 -26.930 -8.930 -11.874
27 HD13 ILE 4 HD13 ILE 4 -25.347 -9.639 -11.548
28 H ILE 5 H ILE 5 -26.270 -8.557 -4.942
29 HA ILE 5 HA ILE 5 -25.076 -6.090 -4.133
30 HB ILE 5 HB ILE 5 -26.377 -7.735 -2.736
31 HG12 ILE 5 HG12 ILE 5 -23.670 -7.265 -1.488
32 HG13 ILE 5 HG13 ILE 5 -24.737 -5.912 -1.866
33 HG21 ILE 5 HG21 ILE 5 -25.069 -9.737 -3.630
34 HG22 ILE 5 HG22 ILE 5 -25.326 -9.712 -1.886
35 HG23 ILE 5 HG23 ILE 5 -23.761 -9.250 -2.553
36 HD11 ILE 5 HD11 ILE 5 -26.372 -6.604 -0.341
37 HD12 ILE 5 HD12 ILE 5 -24.880 -7.022 0.503
38 HD13 ILE 5 HD13 ILE 5 -25.800 -8.273 -0.334
39 H GLY 6 H GLY 6 -23.657 -9.028 -5.388
40 HA2 GLY 6 HA2 GLY 6 -20.937 -8.260 -4.516
41 HA3 GLY 6 HA3 GLY 6 -21.367 -9.738 -5.379
42 H GLY 7 H GLY 7 -21.307 -6.191 -5.882
43 HA2 GLY 7 HA2 GLY 7 -21.061 -6.573 -8.795
44 HA3 GLY 7 HA3 GLY 7 -21.157 -5.023 -7.958
45 H LEU 8 H LEU 8 -19.100 -5.018 -6.218
46 HA LEU 8 HA LEU 8 -16.616 -6.034 -7.386
47 HB2 LEU 8 HB2 LEU 8 -17.479 -3.997 -8.762
48 HB3 LEU 8 HB3 LEU 8 -17.006 -3.036 -7.361
49 HG LEU 8 HG LEU 8 -14.753 -4.445 -7.613
50 HD11 LEU 8 HD11 LEU 8 -15.876 -5.671 -9.596
51 HD12 LEU 8 HD12 LEU 8 -14.234 -5.072 -9.834
52 HD13 LEU 8 HD13 LEU 8 -15.602 -4.180 -10.498
53 HD21 LEU 8 HD21 LEU 8 -14.901 -1.998 -7.692
54 HD22 LEU 8 HD22 LEU 8 -15.526 -2.070 -9.340
55 HD23 LEU 8 HD23 LEU 8 -13.870 -2.574 -9.002
56 H THR 9 H THR 9 -16.744 -6.793 -5.057
57 HA THR 9 HA THR 9 -16.546 -4.857 -2.893
58 HB THR 9 HB THR 9 -15.806 -7.033 -1.675
59 HG1 THR 9 HG1 THR 9 -15.115 -8.143 -3.517
60 HG21 THR 9 HG21 THR 9 -18.039 -6.400 -1.361
61 HG22 THR 9 HG22 THR 9 -18.189 -8.012 -2.061
62 HG23 THR 9 HG23 THR 9 -18.434 -6.587 -3.070
63 H ILE 10 H ILE 10 -14.771 -3.555 -2.804
64 HA ILE 10 HA ILE 10 -12.254 -3.911 -3.998
65 HB ILE 10 HB ILE 10 -11.506 -2.273 -2.194
66 HG12 ILE 10 HG12 ILE 10 -14.288 -1.878 -1.301
67 HG13 ILE 10 HG13 ILE 10 -13.572 -3.385 -0.733
68 HG21 ILE 10 HG21 ILE 10 -14.150 -1.587 -3.504
69 HG22 ILE 10 HG22 ILE 10 -12.619 -1.649 -4.376
70 HG23 ILE 10 HG23 ILE 10 -12.847 -0.478 -3.077
71 HD11 ILE 10 HD11 ILE 10 -11.705 -2.207 0.252
72 HD12 ILE 10 HD12 ILE 10 -13.185 -1.424 0.804
73 HD13 ILE 10 HD13 ILE 10 -12.222 -0.685 -0.474
74 HA PRO 11 HA PRO 11 -10.820 -7.226 -1.319
75 HB2 PRO 11 HB2 PRO 11 -8.841 -8.083 -2.996
76 HB3 PRO 11 HB3 PRO 11 -10.546 -8.516 -3.215
77 HG2 PRO 11 HG2 PRO 11 -8.887 -6.580 -4.701
78 HG3 PRO 11 HG3 PRO 11 -10.280 -7.526 -5.239
79 HD2 PRO 11 HD2 PRO 11 -10.285 -4.813 -4.533
80 HD3 PRO 11 HD3 PRO 11 -11.711 -5.844 -4.763
81 HA PRO 12 HA PRO 12 -7.430 -4.929 0.428
82 HB2 PRO 12 HB2 PRO 12 -6.699 -6.735 2.346
83 HB3 PRO 12 HB3 PRO 12 -8.145 -5.717 2.472
84 HG2 PRO 12 HG2 PRO 12 -7.910 -8.583 1.750
85 HG3 PRO 12 HG3 PRO 12 -9.180 -7.745 2.652
86 HD2 PRO 12 HD2 PRO 12 -9.360 -8.503 0.002
87 HD3 PRO 12 HD3 PRO 12 -10.342 -7.237 0.768
88 H VAL 13 H VAL 13 -6.554 -5.782 -1.904
89 HA VAL 13 HA VAL 13 -4.250 -7.646 -1.473
90 HB VAL 13 HB VAL 13 -5.667 -6.629 -3.965
91 HG11 VAL 13 HG11 VAL 13 -3.348 -7.088 -4.504
92 HG12 VAL 13 HG12 VAL 13 -4.324 -8.429 -5.104
93 HG13 VAL 13 HG13 VAL 13 -3.398 -8.610 -3.615
94 HG21 VAL 13 HG21 VAL 13 -6.461 -8.976 -4.120
95 HG22 VAL 13 HG22 VAL 13 -7.005 -8.208 -2.628
96 HG23 VAL 13 HG23 VAL 13 -5.652 -9.340 -2.595
97 H VAL 14 H VAL 14 -5.097 -4.501 -2.959
98 HA VAL 14 HA VAL 14 -2.460 -3.679 -3.683
99 HB VAL 14 HB VAL 14 -4.861 -2.033 -2.795
100 HG11 VAL 14 HG11 VAL 14 -2.715 -0.771 -2.973
101 HG12 VAL 14 HG12 VAL 14 -3.896 -0.266 -4.180
102 HG13 VAL 14 HG13 VAL 14 -2.561 -1.321 -4.642
103 HG21 VAL 14 HG21 VAL 14 -4.129 -3.404 -5.376
104 HG22 VAL 14 HG22 VAL 14 -5.097 -1.931 -5.406
105 HG23 VAL 14 HG23 VAL 14 -5.687 -3.355 -4.551
106 H ALA 15 H ALA 15 -4.335 -3.117 -0.682
107 HA ALA 15 HA ALA 15 -2.399 -1.513 0.684
108 HB1 ALA 15 HB1 ALA 15 -3.751 -2.069 2.636
109 HB2 ALA 15 HB2 ALA 15 -4.408 -3.488 1.820
110 HB3 ALA 15 HB3 ALA 15 -4.825 -1.871 1.250
111 H LEU 16 H LEU 16 -2.883 -5.057 0.594
112 HA LEU 16 HA LEU 16 -0.883 -5.740 2.538
113 HB2 LEU 16 HB2 LEU 16 -2.804 -7.111 1.457
114 HB3 LEU 16 HB3 LEU 16 -1.665 -7.408 0.143
115 HG LEU 16 HG LEU 16 -0.029 -8.081 2.091
116 HD11 LEU 16 HD11 LEU 16 -1.293 -9.151 3.970
117 HD12 LEU 16 HD12 LEU 16 -2.769 -8.411 3.348
118 HD13 LEU 16 HD13 LEU 16 -1.455 -7.395 3.940
119 HD21 LEU 16 HD21 LEU 16 -2.359 -9.882 1.367
120 HD22 LEU 16 HD22 LEU 16 -0.742 -10.391 1.852
121 HD23 LEU 16 HD23 LEU 16 -0.983 -9.575 0.308
122 H VAL 17 H VAL 17 -0.729 -5.354 -1.018
123 HA VAL 17 HA VAL 17 1.985 -6.226 -1.360
124 HB VAL 17 HB VAL 17 0.182 -4.314 -2.884
125 HG11 VAL 17 HG11 VAL 17 2.952 -5.346 -3.491
126 HG12 VAL 17 HG12 VAL 17 2.331 -3.701 -3.636
127 HG13 VAL 17 HG13 VAL 17 1.836 -4.936 -4.794
128 HG21 VAL 17 HG21 VAL 17 -0.785 -6.238 -3.558
129 HG22 VAL 17 HG22 VAL 17 0.387 -7.188 -2.645
130 HG23 VAL 17 HG23 VAL 17 0.743 -6.702 -4.303
131 H VAL 18 H VAL 18 0.577 -3.014 -0.664
132 HA VAL 18 HA VAL 18 2.987 -1.477 -0.854
133 HB VAL 18 HB VAL 18 0.461 -1.184 0.814
134 HG11 VAL 18 HG11 VAL 18 1.110 1.252 0.877
135 HG12 VAL 18 HG12 VAL 18 2.687 0.793 0.235
136 HG13 VAL 18 HG13 VAL 18 2.174 0.205 1.817
137 HG21 VAL 18 HG21 VAL 18 0.752 -1.117 -1.911
138 HG22 VAL 18 HG22 VAL 18 0.997 0.578 -1.499
139 HG23 VAL 18 HG23 VAL 18 -0.494 -0.236 -1.028
140 H MET 19 H MET 19 1.428 -3.054 1.964
141 HA MET 19 HA MET 19 3.447 -2.367 3.892
142 HB2 MET 19 HB2 MET 19 1.029 -3.260 4.154
143 HB3 MET 19 HB3 MET 19 1.727 -4.858 3.891
144 HG2 MET 19 HG2 MET 19 3.270 -4.487 5.791
145 HG3 MET 19 HG3 MET 19 2.543 -2.903 6.063
146 HE1 MET 19 HE1 MET 19 2.846 -5.077 8.239
147 HE2 MET 19 HE2 MET 19 2.649 -6.419 7.113
148 HE3 MET 19 HE3 MET 19 1.524 -6.233 8.456
149 H SER 20 H SER 20 2.963 -5.256 1.833
150 HA SER 20 HA SER 20 5.209 -6.770 2.779
151 HB2 SER 20 HB2 SER 20 3.215 -7.500 1.367
152 HB3 SER 20 HB3 SER 20 4.013 -6.742 -0.009
153 HG SER 20 HG SER 20 4.673 -8.840 -0.012
154 H ARG 21 H ARG 21 4.883 -4.350 0.171
155 HA ARG 21 HA ARG 21 7.456 -4.613 -1.016
156 HB2 ARG 21 HB2 ARG 21 5.321 -2.550 -0.771
157 HB3 ARG 21 HB3 ARG 21 6.907 -1.972 -1.282
158 HG2 ARG 21 HG2 ARG 21 6.933 -3.723 -3.061
159 HG3 ARG 21 HG3 ARG 21 5.297 -4.185 -2.590
160 HD2 ARG 21 HD2 ARG 21 4.400 -2.062 -3.249
161 HD3 ARG 21 HD3 ARG 21 6.019 -1.353 -3.407
162 HE ARG 21 HE ARG 21 4.808 -3.319 -5.278
163 HH11 ARG 21 HH11 ARG 21 5.865 -0.689 -6.212
164 HH12 ARG 21 HH12 ARG 21 7.419 -1.114 -6.846
165 HH21 ARG 21 HH21 ARG 21 7.518 -4.199 -5.246
166 HH22 ARG 21 HH22 ARG 21 8.358 -3.110 -6.298
167 H PHE 22 H PHE 22 6.393 -2.616 1.761
168 HA PHE 22 HA PHE 22 8.889 -1.301 2.258
169 HB2 PHE 22 HB2 PHE 22 6.411 -2.005 3.810
170 HB3 PHE 22 HB3 PHE 22 7.797 -1.350 4.681
171 HD1 PHE 22 HD1 PHE 22 8.949 0.747 3.434
172 HD2 PHE 22 HD2 PHE 22 4.855 -0.480 2.994
173 HE1 PHE 22 HE1 PHE 22 8.345 3.031 2.680
174 HE2 PHE 22 HE2 PHE 22 4.252 1.803 2.240
175 HZ PHE 22 HZ PHE 22 5.996 3.559 2.084
176 H GLY 23 H GLY 23 7.525 -4.340 3.581
177 HA2 GLY 23 HA2 GLY 23 9.802 -4.971 5.229
178 HA3 GLY 23 HA3 GLY 23 8.563 -6.118 4.715
179 H PHE 24 H PHE 24 8.899 -5.797 1.883
180 HA PHE 24 HA PHE 24 10.991 -7.668 1.335
181 HB2 PHE 24 HB2 PHE 24 8.862 -6.428 0.005
182 HB3 PHE 24 HB3 PHE 24 10.288 -5.912 -0.893
183 HD1 PHE 24 HD1 PHE 24 12.049 -7.804 -1.420
184 HD2 PHE 24 HD2 PHE 24 7.922 -8.520 -0.459
185 HE1 PHE 24 HE2 PHE 24 12.186 -10.037 -2.488
186 HE2 PHE 24 HE1 PHE 24 8.062 -10.754 -1.529
187 HZ PHE 24 HZ PHE 24 10.194 -11.512 -2.543
188 H PHE 25 H PHE 25 10.869 -4.112 0.890
189 HA PHE 25 HA PHE 25 13.466 -3.755 -0.225
190 HB2 PHE 25 HB2 PHE 25 11.373 -2.174 0.258
191 HB3 PHE 25 HB3 PHE 25 12.300 -1.778 1.705
192 HD1 PHE 25 HD1 PHE 25 14.635 -0.882 1.487
193 HD2 PHE 25 HD2 PHE 25 12.052 -1.401 -1.907
194 HE1 PHE 25 HE1 PHE 25 16.091 0.614 0.150
195 HE2 PHE 25 HE2 PHE 25 13.509 0.095 -3.243
196 HZ PHE 25 HZ PHE 25 15.529 1.102 -2.216
197 H ALA 26 H ALA 26 12.398 -3.866 3.183
198 HA ALA 26 HA ALA 26 14.958 -3.269 4.365
199 HB1 ALA 26 HB1 ALA 26 13.850 -4.137 6.394
200 HB2 ALA 26 HB2 ALA 26 12.589 -4.865 5.399
201 HB3 ALA 26 HB3 ALA 26 12.744 -3.111 5.482
202 H HIS 27 H HIS 27 13.470 -6.252 3.186
203 HA HIS 27 HA HIS 27 15.480 -8.020 4.383
204 HB2 HIS 27 HB2 HIS 27 13.032 -8.179 2.708
205 HB3 HIS 27 HB3 HIS 27 14.195 -9.485 2.482
206 HD1 HIS 27 HD1 HIS 27 12.835 -7.635 5.547
207 HD2 HIS 27 HD2 HIS 27 13.612 -11.516 4.239
208 HE1 HIS 27 HE1 HIS 27 12.185 -9.176 7.449
209 H LEU 28 H LEU 28 15.504 -5.941 1.680
210 HA LEU 28 HA LEU 28 17.255 -7.659 0.016
211 HB2 LEU 28 HB2 LEU 28 15.865 -4.995 -0.219
212 HB3 LEU 28 HB3 LEU 28 17.151 -5.410 -1.351
213 HG LEU 28 HG LEU 28 14.885 -7.328 -0.818
214 HD11 LEU 28 HD11 LEU 28 14.894 -5.326 -3.080
215 HD12 LEU 28 HD12 LEU 28 14.094 -4.981 -1.547
216 HD13 LEU 28 HD13 LEU 28 13.567 -6.349 -2.527
217 HD21 LEU 28 HD21 LEU 28 16.781 -8.248 -2.007
218 HD22 LEU 28 HD22 LEU 28 16.842 -6.856 -3.088
219 HD23 LEU 28 HD23 LEU 28 15.493 -7.987 -3.184
220 H LEU 29 H LEU 29 18.438 -7.150 2.495
221 HA LEU 29 HA LEU 29 20.319 -4.874 2.134
222 HB2 LEU 29 HB2 LEU 29 20.833 -5.296 4.478
223 HB3 LEU 29 HB3 LEU 29 19.082 -5.322 4.279
224 HG LEU 29 HG LEU 29 19.919 -7.971 3.798
225 HD11 LEU 29 HD11 LEU 29 21.349 -8.579 5.575
226 HD12 LEU 29 HD12 LEU 29 21.098 -7.050 6.419
227 HD13 LEU 29 HD13 LEU 29 22.073 -7.097 4.949
228 HD21 LEU 29 HD21 LEU 29 18.851 -8.257 6.154
229 HD22 LEU 29 HD22 LEU 29 17.852 -7.586 4.866
230 HD23 LEU 29 HD23 LEU 29 18.570 -6.518 6.072
231 HA PRO 30 HA PRO 30 23.668 -7.453 0.897
232 HB2 PRO 30 HB2 PRO 30 25.798 -6.244 2.118
233 HB3 PRO 30 HB3 PRO 30 24.953 -5.538 0.727
234 HG2 PRO 30 HG2 PRO 30 24.735 -4.867 3.613
235 HG3 PRO 30 HG3 PRO 30 24.675 -3.805 2.198
236 HD2 PRO 30 HD2 PRO 30 22.468 -4.629 3.603
237 HD3 PRO 30 HD3 PRO 30 22.437 -4.123 1.900
238 H ARG 31 H ARG 31 24.260 -9.461 1.647
239 HA ARG 31 HA ARG 31 24.532 -9.851 4.611
240 HB2 ARG 31 HB2 ARG 31 22.834 -11.019 2.798
241 HB3 ARG 31 HB3 ARG 31 24.159 -12.181 2.824
242 HG2 ARG 31 HG2 ARG 31 22.756 -11.128 5.299
243 HG3 ARG 31 HG3 ARG 31 22.397 -12.674 4.532
244 HD2 ARG 31 HD2 ARG 31 25.196 -11.953 5.456
245 HD3 ARG 31 HD3 ARG 31 24.030 -12.782 6.504
246 HE ARG 31 HE ARG 31 23.967 -14.628 4.877
247 HH11 ARG 31 HH11 ARG 31 26.939 -13.757 5.554
248 HH12 ARG 31 HH12 ARG 31 27.663 -14.015 4.003
249 HH21 ARG 31 HH21 ARG 31 24.623 -14.287 2.339
250 HH22 ARG 31 HH22 ARG 31 26.347 -14.314 2.176