Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
8092 | 1ljv RC | 5379 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ALA 1 1H ALA 1 9.179 -1.015 2.812
2 2H ALA 1 2H ALA 1 9.218 -2.580 2.305
3 3H ALA 1 3H ALA 1 9.193 -2.242 3.915
4 HA ALA 1 HA ALA 1 11.384 -2.611 3.762
5 1HB ALA 1 1HB ALA 1 11.306 -3.375 1.466
6 2HB ALA 1 2HB ALA 1 11.183 -1.707 0.863
7 3HB ALA 1 3HB ALA 1 12.667 -2.258 1.672
8 HA PRO 2 HA PRO 2 11.686 1.860 4.745
9 1HB PRO 2 1HB PRO 2 12.594 1.558 7.323
10 2HB PRO 2 2HB PRO 2 10.874 1.510 6.859
11 1HG PRO 2 1HG PRO 2 12.663 -0.775 7.572
12 2HG PRO 2 2HG PRO 2 10.904 -0.570 7.840
13 1HD PRO 2 1HD PRO 2 12.157 -2.019 5.745
14 2HD PRO 2 2HD PRO 2 10.429 -1.561 5.830
15 H LEU 3 H LEU 3 13.618 3.124 5.299
16 HA LEU 3 HA LEU 3 16.213 1.948 5.569
17 1HB LEU 3 1HB LEU 3 15.295 1.901 2.923
18 2HB LEU 3 2HB LEU 3 16.127 3.428 2.968
19 HG LEU 3 HG LEU 3 17.614 1.777 2.164
20 1HD1 LEU 3 1HD1 LEU 3 18.628 2.013 5.001
21 2HD1 LEU 3 2HD1 LEU 3 19.498 2.147 3.456
22 3HD1 LEU 3 3HD1 LEU 3 18.446 3.462 3.986
23 1HD2 LEU 3 1HD2 LEU 3 18.253 -0.260 3.385
24 2HD2 LEU 3 2HD2 LEU 3 17.083 0.119 4.666
25 3HD2 LEU 3 3HD2 LEU 3 16.515 -0.236 3.034
26 H GLU 4 H GLU 4 16.976 3.387 6.993
27 HA GLU 4 HA GLU 4 17.136 5.296 8.273
28 1HB GLU 4 1HB GLU 4 18.280 6.176 5.609
29 2HB GLU 4 2HB GLU 4 18.417 7.090 7.117
30 1HG GLU 4 1HG GLU 4 19.347 4.796 8.072
31 2HG GLU 4 2HG GLU 4 19.726 4.481 6.382
32 HA PRO 5 HA PRO 5 13.299 7.427 6.921
33 1HB PRO 5 1HB PRO 5 11.911 7.317 9.294
34 2HB PRO 5 2HB PRO 5 11.904 6.010 8.076
35 1HG PRO 5 1HG PRO 5 13.423 6.166 10.663
36 2HG PRO 5 2HG PRO 5 12.715 4.738 9.851
37 1HD PRO 5 1HD PRO 5 15.417 5.534 9.778
38 2HD PRO 5 2HD PRO 5 14.653 4.387 8.637
39 H GLU 6 H GLU 6 12.628 9.537 7.364
40 HA GLU 6 HA GLU 6 13.829 11.077 9.544
41 1HB GLU 6 1HB GLU 6 15.418 11.099 7.527
42 2HB GLU 6 2HB GLU 6 14.190 11.975 6.633
43 1HG GLU 6 1HG GLU 6 14.744 13.120 9.332
44 2HG GLU 6 2HG GLU 6 16.190 12.973 8.356
45 H TYR 7 H TYR 7 12.117 12.141 10.344
46 HA TYR 7 HA TYR 7 9.503 12.249 9.481
47 1HB TYR 7 1HB TYR 7 11.182 13.629 11.466
48 2HB TYR 7 2HB TYR 7 9.878 14.634 10.891
49 HD1 TYR 7 HD1 TYR 7 8.268 14.774 12.518
50 HD2 TYR 7 HD2 TYR 7 9.978 10.915 11.597
51 HE1 TYR 7 HE1 TYR 7 6.704 13.694 14.125
52 HE2 TYR 7 HE2 TYR 7 8.380 9.843 13.186
53 HH TYR 7 HH TYR 7 6.763 11.435 15.540
54 HA PRO 8 HA PRO 8 10.363 15.131 6.071
55 1HB PRO 8 1HB PRO 8 8.565 14.229 4.240
56 2HB PRO 8 2HB PRO 8 10.097 13.382 4.575
57 1HG PRO 8 1HG PRO 8 7.341 12.689 5.472
58 2HG PRO 8 2HG PRO 8 8.694 11.591 5.070
59 1HD PRO 8 1HD PRO 8 7.842 12.475 7.655
60 2HD PRO 8 2HD PRO 8 9.310 11.562 7.281
61 H GLY 9 H GLY 9 8.889 16.695 4.905
62 1HA GLY 9 1HA GLY 9 7.850 18.514 6.587
63 2HA GLY 9 2HA GLY 9 7.304 18.388 4.918
64 H ASP 10 H ASP 10 5.446 16.906 4.496
65 HA ASP 10 HA ASP 10 3.586 16.411 6.717
66 1HB ASP 10 1HB ASP 10 1.849 17.809 5.455
67 2HB ASP 10 2HB ASP 10 3.061 18.626 6.410
68 H ASN 11 H ASN 11 4.569 14.370 5.602
69 HA ASN 11 HA ASN 11 2.377 13.101 4.142
70 1HB ASN 11 1HB ASN 11 3.868 12.330 2.306
71 2HB ASN 11 2HB ASN 11 3.542 14.059 2.279
72 1HD2 ASN 11 1HD2 ASN 11 5.804 12.560 0.957
73 2HD2 ASN 11 2HD2 ASN 11 7.192 13.393 1.652
74 H ALA 12 H ALA 12 2.080 11.269 5.372
75 HA ALA 12 HA ALA 12 4.013 10.083 7.073
76 1HB ALA 12 1HB ALA 12 2.034 9.114 7.575
77 2HB ALA 12 2HB ALA 12 1.381 9.298 5.927
78 3HB ALA 12 3HB ALA 12 2.461 7.948 6.314
79 H THR 13 H THR 13 5.611 8.725 6.792
80 HA THR 13 HA THR 13 7.226 8.670 4.641
81 HB THR 13 HB THR 13 8.258 6.590 5.555
82 HG1 THR 13 HG1 THR 13 6.002 6.626 7.293
83 1HG2 THR 13 1HG2 THR 13 8.741 8.805 6.621
84 2HG2 THR 13 2HG2 THR 13 7.452 8.473 7.806
85 3HG2 THR 13 3HG2 THR 13 8.873 7.416 7.717
86 HA PRO 14 HA PRO 14 5.430 6.263 1.489
87 1HB PRO 14 1HB PRO 14 7.590 5.316 0.040
88 2HB PRO 14 2HB PRO 14 6.970 6.989 0.002
89 1HG PRO 14 1HG PRO 14 9.376 5.918 1.431
90 2HG PRO 14 2HG PRO 14 9.115 7.529 0.701
91 1HD PRO 14 1HD PRO 14 8.916 6.901 3.428
92 2HD PRO 14 2HD PRO 14 8.220 8.355 2.657
93 H GLU 15 H GLU 15 7.309 4.701 3.887
94 HA GLU 15 HA GLU 15 6.717 1.955 3.094
95 1HB GLU 15 1HB GLU 15 7.594 1.351 5.277
96 2HB GLU 15 2HB GLU 15 8.698 2.452 4.453
97 1HG GLU 15 1HG GLU 15 8.087 4.285 5.808
98 2HG GLU 15 2HG GLU 15 6.675 3.464 6.488
99 H GLN 16 H GLN 16 4.866 4.514 4.598
100 HA GLN 16 HA GLN 16 3.210 2.747 6.184
101 1HB GLN 16 1HB GLN 16 3.780 5.359 6.349
102 2HB GLN 16 2HB GLN 16 2.338 5.535 5.381
103 1HG GLN 16 1HG GLN 16 0.976 5.144 7.131
104 2HG GLN 16 2HG GLN 16 1.806 3.660 7.568
105 1HE2 GLN 16 1HE2 GLN 16 0.782 5.121 9.659
106 2HE2 GLN 16 2HE2 GLN 16 2.143 5.916 10.457
107 H MET 17 H MET 17 2.582 4.690 3.243
108 HA MET 17 HA MET 17 0.085 3.400 2.605
109 1HB MET 17 1HB MET 17 1.670 5.581 1.592
110 2HB MET 17 2HB MET 17 1.351 4.504 0.235
111 1HG MET 17 1HG MET 17 -0.884 5.283 2.124
112 2HG MET 17 2HG MET 17 -0.350 6.405 0.881
113 1HE MET 17 1HE MET 17 -3.853 4.753 -0.102
114 2HE MET 17 2HE MET 17 -3.274 3.927 1.362
115 3HE MET 17 3HE MET 17 -3.119 5.694 1.220
116 H ALA 18 H ALA 18 3.416 2.458 1.999
117 HA ALA 18 HA ALA 18 3.061 0.619 -0.097
118 1HB ALA 18 1HB ALA 18 5.252 1.250 0.772
119 2HB ALA 18 2HB ALA 18 4.892 0.475 2.332
120 3HB ALA 18 3HB ALA 18 5.055 -0.507 0.870
121 H GLN 19 H GLN 19 2.319 0.227 3.381
122 HA GLN 19 HA GLN 19 1.661 -2.569 3.298
123 1HB GLN 19 1HB GLN 19 1.604 -0.364 5.208
124 2HB GLN 19 2HB GLN 19 0.095 -1.248 5.312
125 1HG GLN 19 1HG GLN 19 2.633 -2.878 5.247
126 2HG GLN 19 2HG GLN 19 2.336 -1.899 6.676
127 1HE2 GLN 19 1HE2 GLN 19 0.948 -2.727 8.271
128 2HE2 GLN 19 2HE2 GLN 19 -0.060 -4.137 7.942
129 H TYR 20 H TYR 20 -0.489 0.307 3.196
130 HA TYR 20 HA TYR 20 -2.907 -1.060 2.609
131 1HB TYR 20 1HB TYR 20 -1.872 1.749 2.307
132 2HB TYR 20 2HB TYR 20 -3.311 1.324 1.408
133 HD1 TYR 20 HD1 TYR 20 -5.275 0.223 2.630
134 HD2 TYR 20 HD2 TYR 20 -2.097 2.340 4.641
135 HE1 TYR 20 HE1 TYR 20 -6.794 0.670 4.547
136 HE2 TYR 20 HE2 TYR 20 -3.637 2.806 6.558
137 HH TYR 20 HH TYR 20 -7.042 1.755 6.503
138 H ALA 21 H ALA 21 -0.496 0.323 0.316
139 HA ALA 21 HA ALA 21 -1.871 -0.334 -2.076
140 1HB ALA 21 1HB ALA 21 0.390 -0.149 -3.100
141 2HB ALA 21 2HB ALA 21 0.056 1.177 -1.964
142 3HB ALA 21 3HB ALA 21 1.115 -0.162 -1.475
143 H ALA 22 H ALA 22 0.465 -2.310 -0.150
144 HA ALA 22 HA ALA 22 0.239 -4.642 -1.815
145 1HB ALA 22 1HB ALA 22 1.917 -5.260 -0.484
146 2HB ALA 22 2HB ALA 22 1.614 -3.918 0.630
147 3HB ALA 22 3HB ALA 22 0.780 -5.453 0.864
148 H GLU 23 H GLU 23 -1.606 -3.631 1.116
149 HA GLU 23 HA GLU 23 -3.321 -5.821 1.408
150 1HB GLU 23 1HB GLU 23 -3.108 -3.714 2.849
151 2HB GLU 23 2HB GLU 23 -4.223 -2.954 1.720
152 1HG GLU 23 1HG GLU 23 -5.712 -3.671 3.285
153 2HG GLU 23 2HG GLU 23 -5.747 -5.058 2.207
154 H LEU 24 H LEU 24 -3.786 -2.968 -0.732
155 HA LEU 24 HA LEU 24 -6.234 -3.798 -1.902
156 1HB LEU 24 1HB LEU 24 -5.265 -1.525 -2.075
157 2HB LEU 24 2HB LEU 24 -4.012 -2.136 -3.147
158 HG LEU 24 HG LEU 24 -6.583 -3.034 -4.175
159 1HD1 LEU 24 1HD1 LEU 24 -7.387 -1.049 -2.778
160 2HD1 LEU 24 2HD1 LEU 24 -6.600 -0.045 -4.029
161 3HD1 LEU 24 3HD1 LEU 24 -7.865 -1.227 -4.462
162 1HD2 LEU 24 1HD2 LEU 24 -4.658 -2.770 -5.590
163 2HD2 LEU 24 2HD2 LEU 24 -5.919 -1.657 -6.146
164 3HD2 LEU 24 3HD2 LEU 24 -4.541 -1.040 -5.210
165 H ARG 25 H ARG 25 -2.877 -4.471 -3.032
166 HA ARG 25 HA ARG 25 -3.542 -5.995 -5.350
167 1HB ARG 25 1HB ARG 25 -1.285 -5.478 -5.063
168 2HB ARG 25 2HB ARG 25 -1.201 -6.089 -3.427
169 1HG ARG 25 1HG ARG 25 -1.785 -8.027 -5.673
170 2HG ARG 25 2HG ARG 25 -0.149 -7.431 -5.439
171 1HD ARG 25 1HD ARG 25 0.012 -8.331 -3.212
172 2HD ARG 25 2HD ARG 25 -1.700 -8.675 -3.136
173 HE ARG 25 HNE ARG 25 -1.426 -10.630 -4.279
174 1HH1 ARG 25 2HH2 ARG 25 1.484 -8.800 -4.723
175 2HH1 ARG 25 1HH2 ARG 25 2.312 -10.058 -5.605
176 1HH2 ARG 25 2HH1 ARG 25 -0.308 -12.320 -5.284
177 2HH2 ARG 25 1HH1 ARG 25 1.272 -12.017 -5.936
178 H ARG 26 H ARG 26 -3.693 -6.952 -1.962
179 HA ARG 26 HA ARG 26 -4.250 -9.771 -2.536
180 1HB ARG 26 1HB ARG 26 -5.184 -8.552 0.050
181 2HB ARG 26 2HB ARG 26 -4.428 -10.117 -0.270
182 1HG ARG 26 1HG ARG 26 -2.287 -8.649 -0.804
183 2HG ARG 26 2HG ARG 26 -3.217 -7.392 -0.001
184 1HD ARG 26 1HD ARG 26 -2.240 -8.042 1.865
185 2HD ARG 26 2HD ARG 26 -3.437 -9.350 1.858
186 HE ARG 26 HNE ARG 26 -1.018 -9.861 0.278
187 1HH1 ARG 26 2HH2 ARG 26 -2.297 -10.136 3.524
188 2HH1 ARG 26 1HH2 ARG 26 -1.138 -11.351 3.993
189 1HH2 ARG 26 2HH1 ARG 26 0.457 -11.400 0.899
190 2HH2 ARG 26 1HH1 ARG 26 0.420 -12.040 2.510
191 H TYR 27 H TYR 27 -6.208 -6.943 -1.689
192 HA TYR 27 HA TYR 27 -8.777 -7.964 -1.675
193 1HB TYR 27 1HB TYR 27 -7.829 -5.490 -1.509
194 2HB TYR 27 2HB TYR 27 -8.273 -5.418 -3.207
195 HD1 TYR 27 HD1 TYR 27 -10.739 -6.034 -3.847
196 HD2 TYR 27 HD2 TYR 27 -9.424 -5.172 0.174
197 HE1 TYR 27 HE1 TYR 27 -13.078 -5.543 -3.190
198 HE2 TYR 27 HE2 TYR 27 -11.781 -4.678 0.831
199 HH TYR 27 HH TYR 27 -14.496 -5.078 -1.424
200 H ILE 28 H ILE 28 -6.886 -7.110 -4.590
201 HA ILE 28 HA ILE 28 -8.816 -7.656 -6.568
202 HB ILE 28 HB ILE 28 -5.817 -8.120 -6.665
203 1HG1 ILE 28 1HG1 ILE 28 -5.858 -5.919 -6.189
204 2HG1 ILE 28 2HG1 ILE 28 -5.941 -5.829 -7.926
205 1HG2 ILE 28 1HG2 ILE 28 -6.499 -7.482 -9.260
206 2HG2 ILE 28 2HG2 ILE 28 -6.119 -9.080 -8.620
207 3HG2 ILE 28 3HG2 ILE 28 -7.790 -8.583 -8.760
208 1HD1 ILE 28 1HD1 ILE 28 -8.175 -5.351 -5.911
209 2HD1 ILE 28 2HD1 ILE 28 -7.492 -4.240 -7.096
210 3HD1 ILE 28 3HD1 ILE 28 -8.508 -5.609 -7.624
211 H ASN 29 H ASN 29 -6.562 -9.995 -5.100
212 HA ASN 29 HA ASN 29 -7.505 -12.268 -6.590
213 1HB ASN 29 1HB ASN 29 -5.334 -11.944 -5.204
214 2HB ASN 29 2HB ASN 29 -6.314 -12.330 -3.784
215 1HD2 ASN 29 1HD2 ASN 29 -4.555 -14.123 -3.738
216 2HD2 ASN 29 2HD2 ASN 29 -5.000 -15.553 -4.683
217 H MET 30 H MET 30 -8.407 -10.911 -3.408
218 HA MET 30 HA MET 30 -10.573 -12.766 -2.897
219 1HB MET 30 1HB MET 30 -9.671 -10.137 -1.672
220 2HB MET 30 2HB MET 30 -11.179 -10.900 -1.184
221 1HG MET 30 1HG MET 30 -9.940 -11.978 0.323
222 2HG MET 30 2HG MET 30 -9.574 -13.065 -1.000
223 1HE MET 30 1HE MET 30 -8.807 -9.919 0.760
224 2HE MET 30 2HE MET 30 -7.271 -10.363 1.543
225 3HE MET 30 3HE MET 30 -7.272 -9.396 0.057
226 H LEU 31 H LEU 31 -10.496 -10.063 -4.972
227 HA LEU 31 HA LEU 31 -13.466 -9.874 -5.158
228 1HB LEU 31 1HB LEU 31 -12.636 -7.738 -4.912
229 2HB LEU 31 2HB LEU 31 -11.119 -8.121 -5.699
230 HG LEU 31 HG LEU 31 -12.177 -8.026 -7.896
231 1HD1 LEU 31 1HD1 LEU 31 -14.352 -7.794 -8.237
232 2HD1 LEU 31 2HD1 LEU 31 -14.649 -7.876 -6.497
233 3HD1 LEU 31 3HD1 LEU 31 -14.407 -6.302 -7.288
234 1HD2 LEU 31 1HD2 LEU 31 -12.030 -5.644 -8.036
235 2HD2 LEU 31 2HD2 LEU 31 -12.426 -5.446 -6.307
236 3HD2 LEU 31 3HD2 LEU 31 -10.883 -6.166 -6.804
237 H THR 32 H THR 32 -10.908 -11.554 -6.564
238 HA THR 32 HA THR 32 -10.571 -12.728 -8.465
239 HB THR 32 HB THR 32 -13.606 -12.720 -8.691
240 HG1 THR 32 HG1 THR 32 -11.737 -14.093 -7.120
241 1HG2 THR 32 1HG2 THR 32 -11.466 -14.436 -9.962
242 2HG2 THR 32 2HG2 THR 32 -13.032 -15.148 -9.512
243 3HG2 THR 32 3HG2 THR 32 -12.980 -13.800 -10.653
244 H ARG 33 H ARG 33 -10.824 -9.700 -8.566
245 HA ARG 33 HA ARG 33 -10.429 -9.338 -11.413
246 1HB ARG 33 1HB ARG 33 -13.055 -8.669 -10.159
247 2HB ARG 33 2HB ARG 33 -12.302 -7.294 -10.961
248 1HG ARG 33 1HG ARG 33 -11.931 -8.811 -12.985
249 2HG ARG 33 2HG ARG 33 -12.988 -9.986 -12.203
250 1HD ARG 33 1HD ARG 33 -14.841 -8.860 -12.777
251 2HD ARG 33 2HD ARG 33 -14.205 -7.314 -12.192
252 HE ARG 33 HNE ARG 33 -12.808 -7.664 -14.503
253 1HH1 ARG 33 2HH2 ARG 33 -16.243 -7.790 -13.934
254 2HH1 ARG 33 1HH2 ARG 33 -16.669 -7.300 -15.550
255 1HH2 ARG 33 2HH1 ARG 33 -13.341 -6.974 -16.556
256 2HH2 ARG 33 1HH1 ARG 33 -15.020 -6.896 -17.016
257 HA PRO 34 HA PRO 34 -8.064 -5.956 -9.722
258 1HB PRO 34 1HB PRO 34 -7.827 -4.268 -11.874
259 2HB PRO 34 2HB PRO 34 -6.913 -5.787 -11.674
260 1HG PRO 34 1HG PRO 34 -9.244 -5.208 -13.458
261 2HG PRO 34 2HG PRO 34 -7.914 -6.387 -13.667
262 1HD PRO 34 1HD PRO 34 -10.548 -6.903 -12.730
263 2HD PRO 34 2HD PRO 34 -9.163 -8.035 -12.686
264 H ARG 35 H ARG 35 -8.210 -3.814 -8.971
265 HA ARG 35 HA ARG 35 -10.932 -2.597 -9.010
266 1HB ARG 35 1HB ARG 35 -9.921 -3.309 -6.829
267 2HB ARG 35 2HB ARG 35 -8.659 -2.095 -7.039
268 1HG ARG 35 1HG ARG 35 -11.435 -1.047 -7.368
269 2HG ARG 35 2HG ARG 35 -11.125 -1.733 -5.775
270 1HD ARG 35 1HD ARG 35 -9.402 -0.210 -5.295
271 2HD ARG 35 2HD ARG 35 -9.178 0.237 -6.996
272 HE ARG 35 HNE ARG 35 -11.813 0.884 -6.006
273 1HH1 ARG 35 2HH2 ARG 35 -8.537 2.066 -6.177
274 2HH1 ARG 35 1HH2 ARG 35 -8.933 3.708 -5.764
275 1HH2 ARG 35 2HH1 ARG 35 -12.371 3.039 -5.683
276 2HH2 ARG 35 1HH1 ARG 35 -11.125 4.254 -5.636
277 H TYR 36 H TYR 36 -7.637 -1.908 -9.865
278 HA TYR 36 HA TYR 36 -6.601 -0.214 -10.944
279 1HB TYR 36 1HB TYR 36 -9.271 -0.469 -12.172
280 2HB TYR 36 2HB TYR 36 -8.574 1.095 -12.437
281 HD1 TYR 36 HD1 TYR 36 -7.009 -2.349 -12.319
282 HD2 TYR 36 HD2 TYR 36 -7.830 1.185 -14.640
283 HE1 TYR 36 HE1 TYR 36 -5.817 -3.355 -14.254
284 HE2 TYR 36 HE2 TYR 36 -6.590 0.197 -16.562
285 HH TYR 36 HH TYR 36 -5.243 -3.097 -16.446
286 1HN NH2 37 1HN NH2 37 -7.122 2.383 -11.646
287 2HN NH2 37 2HN NH2 37 -7.247 3.301 -10.136
Start of MODEL 2
1 1H ALA 1 1H ALA 1 -12.865 0.866 18.492
2 2H ALA 1 2H ALA 1 -13.512 -0.640 18.327
3 3H ALA 1 3H ALA 1 -12.954 -0.150 19.788
4 HA ALA 1 HA ALA 1 -11.195 -0.326 17.437
5 1HB ALA 1 1HB ALA 1 -9.426 -0.547 19.217
6 2HB ALA 1 2HB ALA 1 -10.259 1.018 19.191
7 3HB ALA 1 3HB ALA 1 -10.675 -0.188 20.427
8 HA PRO 2 HA PRO 2 -12.267 -4.703 18.068
9 1HB PRO 2 1HB PRO 2 -12.314 -5.425 15.406
10 2HB PRO 2 2HB PRO 2 -13.702 -4.746 16.296
11 1HG PRO 2 1HG PRO 2 -11.923 -3.397 14.305
12 2HG PRO 2 2HG PRO 2 -13.635 -3.080 14.703
13 1HD PRO 2 1HD PRO 2 -11.370 -1.633 15.621
14 2HD PRO 2 2HD PRO 2 -13.041 -1.490 16.233
15 H LEU 3 H LEU 3 -10.054 -3.758 15.376
16 HA LEU 3 HA LEU 3 -7.688 -4.778 16.643
17 1HB LEU 3 1HB LEU 3 -9.385 -6.697 15.301
18 2HB LEU 3 2HB LEU 3 -7.953 -6.551 14.329
19 1HD1 LEU 3 1HD1 LEU 3 -9.190 -8.541 16.955
20 2HD1 LEU 3 2HD1 LEU 3 -8.434 -9.049 15.428
21 3HD1 LEU 3 3HD1 LEU 3 -7.604 -9.334 16.982
22 1HD2 LEU 3 1HD2 LEU 3 -6.041 -8.162 15.082
23 2HD2 LEU 3 2HD2 LEU 3 -5.712 -6.483 15.554
24 3HD2 LEU 3 3HD2 LEU 3 -5.525 -7.788 16.742
25 1HG LEU 3 1HG LEU 3 -7.590 -6.827 17.317
26 H GLU 4 H GLU 4 -7.606 -2.455 16.015
27 HA GLU 4 HA GLU 4 -6.871 -0.719 14.783
28 1HB GLU 4 1HB GLU 4 -4.902 -2.534 14.834
29 2HB GLU 4 2HB GLU 4 -5.104 -2.456 13.098
30 1HG GLU 4 1HG GLU 4 -3.522 -0.790 13.494
31 2HG GLU 4 2HG GLU 4 -5.006 0.167 13.468
32 HA PRO 5 HA PRO 5 -9.726 -1.544 11.268
33 1HB PRO 5 1HB PRO 5 -11.362 0.666 11.572
34 2HB PRO 5 2HB PRO 5 -11.593 -0.889 12.420
35 1HG PRO 5 1HG PRO 5 -10.440 1.674 13.467
36 2HG PRO 5 2HG PRO 5 -11.398 0.433 14.324
37 1HD PRO 5 1HD PRO 5 -8.595 0.735 14.398
38 2HD PRO 5 2HD PRO 5 -9.480 -0.734 14.899
39 H GLU 6 H GLU 6 -10.074 -0.409 9.266
40 HA GLU 6 HA GLU 6 -7.903 1.486 8.610
41 1HB GLU 6 1HB GLU 6 -8.299 0.865 6.316
42 2HB GLU 6 2HB GLU 6 -8.119 -0.557 7.310
43 1HG GLU 6 1HG GLU 6 -9.833 -1.184 5.929
44 2HG GLU 6 2HG GLU 6 -10.722 -0.656 7.349
45 H TYR 7 H TYR 7 -8.480 3.283 7.024
46 HA TYR 7 HA TYR 7 -11.145 4.410 7.361
47 1HB TYR 7 1HB TYR 7 -9.074 5.169 9.179
48 2HB TYR 7 2HB TYR 7 -9.143 6.463 8.008
49 HD1 TYR 7 HD1 TYR 7 -11.722 4.302 9.750
50 HD2 TYR 7 HD2 TYR 7 -10.382 8.300 8.827
51 HE1 TYR 7 HE1 TYR 7 -13.669 5.222 10.956
52 HE2 TYR 7 HE2 TYR 7 -12.319 9.223 10.080
53 HH TYR 7 HH TYR 7 -13.946 8.543 11.813
54 HA PRO 8 HA PRO 8 -10.060 5.874 3.339
55 1HB PRO 8 1HB PRO 8 -11.628 8.136 3.036
56 2HB PRO 8 2HB PRO 8 -12.242 6.460 2.967
57 1HG PRO 8 1HG PRO 8 -12.448 8.448 5.204
58 2HG PRO 8 2HG PRO 8 -13.592 7.156 4.724
59 1HD PRO 8 1HD PRO 8 -11.717 7.058 6.813
60 2HD PRO 8 2HD PRO 8 -12.555 5.643 6.116
61 H GLY 9 H GLY 9 -8.872 7.424 2.190
62 1HA GLY 9 1HA GLY 9 -7.950 9.856 2.321
63 2HA GLY 9 2HA GLY 9 -7.222 9.289 3.829
64 H ASP 10 H ASP 10 -6.176 10.092 1.007
65 HA ASP 10 HA ASP 10 -4.095 7.997 0.876
66 1HB ASP 10 1HB ASP 10 -5.867 7.434 -0.822
67 2HB ASP 10 2HB ASP 10 -5.534 8.969 -1.619
68 H ASN 11 H ASN 11 -2.756 9.454 1.848
69 HA ASN 11 HA ASN 11 -1.189 11.132 0.248
70 1HB ASN 11 1HB ASN 11 -3.517 12.526 1.387
71 2HB ASN 11 2HB ASN 11 -2.034 13.197 2.037
72 1HD2 ASN 11 1HD2 ASN 11 -3.027 15.105 0.852
73 2HD2 ASN 11 2HD2 ASN 11 -2.453 15.251 -0.822
74 H ALA 12 H ALA 12 0.449 9.948 1.185
75 HA ALA 12 HA ALA 12 1.534 11.046 3.582
76 1HB ALA 12 1HB ALA 12 0.219 8.323 3.710
77 2HB ALA 12 2HB ALA 12 1.708 8.594 4.636
78 3HB ALA 12 3HB ALA 12 0.294 9.612 4.926
79 H THR 13 H THR 13 3.567 9.747 4.131
80 HA THR 13 HA THR 13 5.442 9.767 2.090
81 HB THR 13 HB THR 13 6.839 8.374 3.614
82 HG1 THR 13 HG1 THR 13 4.834 8.361 5.520
83 1HG2 THR 13 1HG2 THR 13 6.566 10.836 4.061
84 2HG2 THR 13 2HG2 THR 13 5.263 10.450 5.206
85 3HG2 THR 13 3HG2 THR 13 6.911 9.866 5.505
86 HA PRO 14 HA PRO 14 4.724 6.130 -0.269
87 1HB PRO 14 1HB PRO 14 7.222 5.547 -1.295
88 2HB PRO 14 2HB PRO 14 6.175 6.885 -1.843
89 1HG PRO 14 1HG PRO 14 8.583 7.001 -0.057
90 2HG PRO 14 2HG PRO 14 7.994 8.199 -1.249
91 1HD PRO 14 1HD PRO 14 7.614 8.313 1.527
92 2HD PRO 14 2HD PRO 14 6.660 9.222 0.320
93 H GLU 15 H GLU 15 6.658 5.980 2.556
94 HA GLU 15 HA GLU 15 6.925 3.063 2.598
95 1HB GLU 15 1HB GLU 15 7.834 3.336 4.791
96 2HB GLU 15 2HB GLU 15 8.606 4.489 3.711
97 1HG GLU 15 1HG GLU 15 7.660 6.338 4.745
98 2HG GLU 15 2HG GLU 15 6.254 5.460 5.325
99 H GLN 16 H GLN 16 4.443 5.398 3.463
100 HA GLN 16 HA GLN 16 3.139 3.574 5.364
101 1HB GLN 16 1HB GLN 16 3.196 6.137 5.530
102 2HB GLN 16 2HB GLN 16 2.048 6.164 4.198
103 1HG GLN 16 1HG GLN 16 0.389 5.946 5.713
104 2HG GLN 16 2HG GLN 16 0.938 4.305 6.037
105 1HE2 GLN 16 1HE2 GLN 16 0.399 7.370 7.499
106 2HE2 GLN 16 2HE2 GLN 16 1.431 7.063 8.908
107 H MET 17 H MET 17 2.361 5.014 2.154
108 HA MET 17 HA MET 17 -0.027 3.514 1.803
109 1HB MET 17 1HB MET 17 1.137 5.605 0.480
110 2HB MET 17 2HB MET 17 1.462 4.313 -0.671
111 1HG MET 17 1HG MET 17 -1.321 4.355 0.417
112 2HG MET 17 2HG MET 17 -0.873 5.796 -0.459
113 1HE MET 17 1HE MET 17 -1.756 5.506 -3.513
114 2HE MET 17 2HE MET 17 -0.437 6.163 -2.533
115 3HE MET 17 3HE MET 17 -0.074 5.005 -3.832
116 H ALA 18 H ALA 18 3.264 2.524 1.394
117 HA ALA 18 HA ALA 18 3.063 0.244 -0.243
118 1HB ALA 18 1HB ALA 18 4.720 0.784 2.259
119 2HB ALA 18 2HB ALA 18 5.012 -0.542 1.121
120 3HB ALA 18 3HB ALA 18 5.179 1.141 0.582
121 H GLN 19 H GLN 19 1.921 0.700 3.107
122 HA GLN 19 HA GLN 19 1.401 -2.101 3.636
123 1HB GLN 19 1HB GLN 19 1.335 0.403 5.041
124 2HB GLN 19 2HB GLN 19 -0.268 -0.261 5.183
125 1HG GLN 19 1HG GLN 19 2.178 -1.990 5.729
126 2HG GLN 19 2HG GLN 19 1.677 -0.782 6.905
127 1HE2 GLN 19 1HE2 GLN 19 1.708 -3.607 7.530
128 2HE2 GLN 19 2HE2 GLN 19 -0.011 -3.954 7.804
129 H TYR 20 H TYR 20 -0.778 0.643 2.864
130 HA TYR 20 HA TYR 20 -3.152 -0.840 2.430
131 1HB TYR 20 1HB TYR 20 -2.134 1.860 1.596
132 2HB TYR 20 2HB TYR 20 -3.468 1.206 0.670
133 HD1 TYR 20 HD1 TYR 20 -2.615 2.959 3.663
134 HD2 TYR 20 HD2 TYR 20 -5.548 0.317 1.914
135 HE1 TYR 20 HE1 TYR 20 -4.258 3.633 5.396
136 HE2 TYR 20 HE2 TYR 20 -7.198 0.994 3.675
137 HH TYR 20 HH TYR 20 -6.358 3.409 6.154
138 H ALA 21 H ALA 21 -0.667 0.140 0.014
139 HA ALA 21 HA ALA 21 -1.848 -0.994 -2.261
140 1HB ALA 21 1HB ALA 21 0.378 -0.867 -3.221
141 2HB ALA 21 2HB ALA 21 0.140 0.539 -2.164
142 3HB ALA 21 3HB ALA 21 1.125 -0.833 -1.608
143 H ALA 22 H ALA 22 0.232 -2.568 0.217
144 HA ALA 22 HA ALA 22 0.414 -5.106 -1.038
145 1HB ALA 22 1HB ALA 22 1.294 -5.886 0.964
146 2HB ALA 22 2HB ALA 22 1.674 -4.161 1.064
147 3HB ALA 22 3HB ALA 22 0.301 -4.820 1.973
148 H GLU 23 H GLU 23 -1.847 -4.108 1.629
149 HA GLU 23 HA GLU 23 -3.481 -6.414 1.547
150 1HB GLU 23 1HB GLU 23 -3.583 -4.698 3.339
151 2HB GLU 23 2HB GLU 23 -4.426 -3.630 2.222
152 1HG GLU 23 1HG GLU 23 -6.379 -4.567 2.844
153 2HG GLU 23 2HG GLU 23 -5.890 -6.047 2.052
154 H LEU 24 H LEU 24 -3.911 -3.342 -0.296
155 HA LEU 24 HA LEU 24 -6.201 -3.997 -1.774
156 1HB LEU 24 1HB LEU 24 -5.540 -1.813 -1.924
157 2HB LEU 24 2HB LEU 24 -3.853 -2.184 -2.198
158 1HD1 LEU 24 1HD1 LEU 24 -6.897 -1.184 -4.039
159 2HD1 LEU 24 2HD1 LEU 24 -5.476 -0.162 -3.720
160 3HD1 LEU 24 3HD1 LEU 24 -5.790 -0.773 -5.360
161 1HD2 LEU 24 1HD2 LEU 24 -3.802 -2.202 -5.766
162 2HD2 LEU 24 2HD2 LEU 24 -3.199 -1.202 -4.425
163 3HD2 LEU 24 3HD2 LEU 24 -3.017 -2.959 -4.377
164 1HG LEU 24 1HG LEU 24 -5.581 -3.089 -4.442
165 H ARG 25 H ARG 25 -2.783 -4.738 -2.746
166 HA ARG 25 HA ARG 25 -3.447 -6.043 -5.189
167 1HB ARG 25 1HB ARG 25 -1.169 -5.555 -4.810
168 2HB ARG 25 2HB ARG 25 -1.158 -6.314 -3.220
169 1HG ARG 25 1HG ARG 25 -1.332 -8.539 -4.184
170 2HG ARG 25 2HG ARG 25 -1.449 -7.867 -5.824
171 1HD ARG 25 1HD ARG 25 0.814 -7.140 -5.782
172 2HD ARG 25 2HD ARG 25 0.902 -7.258 -4.011
173 HE ARG 25 HNE ARG 25 0.361 -9.801 -5.338
174 1HH1 ARG 25 2HH2 ARG 25 2.955 -7.712 -4.324
175 2HH1 ARG 25 1HH2 ARG 25 4.138 -8.981 -4.225
176 1HH2 ARG 25 2HH1 ARG 25 1.865 -11.465 -5.178
177 2HH2 ARG 25 1HH1 ARG 25 3.505 -11.093 -4.776
178 H ARG 26 H ARG 26 -3.463 -7.313 -1.905
179 HA ARG 26 HA ARG 26 -4.128 -10.057 -2.692
180 1HB ARG 26 1HB ARG 26 -4.877 -9.162 0.060
181 2HB ARG 26 2HB ARG 26 -4.055 -10.624 -0.483
182 1HG ARG 26 1HG ARG 26 -2.031 -8.930 -0.939
183 2HG ARG 26 2HG ARG 26 -3.005 -7.900 0.113
184 1HD ARG 26 1HD ARG 26 -1.711 -8.742 1.710
185 2HD ARG 26 2HD ARG 26 -2.945 -10.015 1.710
186 HE ARG 26 HNE ARG 26 -0.740 -10.435 -0.174
187 1HH1 ARG 26 2HH2 ARG 26 -1.601 -10.910 3.158
188 2HH1 ARG 26 1HH2 ARG 26 -0.455 -12.212 3.407
189 1HH2 ARG 26 2HH1 ARG 26 0.774 -12.062 0.166
190 2HH2 ARG 26 1HH1 ARG 26 0.820 -12.872 1.704
191 H TYR 27 H TYR 27 -5.944 -7.296 -1.434
192 HA TYR 27 HA TYR 27 -8.533 -8.336 -1.348
193 1HB TYR 27 1HB TYR 27 -7.562 -6.003 -0.630
194 2HB TYR 27 2HB TYR 27 -8.009 -5.496 -2.248
195 HD1 TYR 27 HD1 TYR 27 -10.437 -5.449 -2.922
196 HD2 TYR 27 HD2 TYR 27 -9.183 -6.510 1.065
197 HE1 TYR 27 HE1 TYR 27 -12.742 -4.986 -2.061
198 HE2 TYR 27 HE2 TYR 27 -11.465 -6.051 1.916
199 HH TYR 27 HH TYR 27 -13.575 -5.271 1.386
200 H ILE 28 H ILE 28 -6.974 -6.627 -4.107
201 HA ILE 28 HA ILE 28 -8.962 -6.821 -6.055
202 HB ILE 28 HB ILE 28 -5.941 -6.836 -6.134
203 1HG1 ILE 28 1HG1 ILE 28 -8.120 -4.929 -7.111
204 2HG1 ILE 28 2HG1 ILE 28 -7.146 -4.759 -5.653
205 1HG2 ILE 28 1HG2 ILE 28 -6.102 -6.679 -8.675
206 2HG2 ILE 28 2HG2 ILE 28 -6.344 -8.266 -7.999
207 3HG2 ILE 28 3HG2 ILE 28 -7.762 -7.327 -8.492
208 1HD1 ILE 28 1HD1 ILE 28 -5.087 -4.733 -7.240
209 2HD1 ILE 28 2HD1 ILE 28 -6.278 -4.433 -8.527
210 3HD1 ILE 28 3HD1 ILE 28 -6.128 -3.294 -7.181
211 H ASN 29 H ASN 29 -6.459 -9.313 -5.423
212 HA ASN 29 HA ASN 29 -7.484 -11.197 -7.298
213 1HB ASN 29 1HB ASN 29 -5.189 -11.120 -6.167
214 2HB ASN 29 2HB ASN 29 -5.947 -11.829 -4.738
215 1HD2 ASN 29 1HD2 ASN 29 -6.052 -14.123 -4.712
216 2HD2 ASN 29 2HD2 ASN 29 -5.809 -15.047 -6.193
217 H MET 30 H MET 30 -8.095 -10.785 -3.815
218 HA MET 30 HA MET 30 -10.058 -12.884 -3.504
219 1HB MET 30 1HB MET 30 -8.957 -10.579 -1.928
220 2HB MET 30 2HB MET 30 -10.532 -11.162 -1.446
221 1HG MET 30 1HG MET 30 -8.387 -13.212 -1.955
222 2HG MET 30 2HG MET 30 -8.231 -12.211 -0.518
223 1HE MET 30 1HE MET 30 -9.745 -12.105 1.439
224 2HE MET 30 2HE MET 30 -11.248 -11.762 0.555
225 3HE MET 30 3HE MET 30 -11.195 -13.095 1.722
226 H LEU 31 H LEU 31 -10.331 -9.750 -4.868
227 HA LEU 31 HA LEU 31 -13.284 -9.653 -4.705
228 1HB LEU 31 1HB LEU 31 -12.375 -7.593 -4.148
229 2HB LEU 31 2HB LEU 31 -11.004 -7.785 -5.225
230 1HD1 LEU 31 1HD1 LEU 31 -14.530 -6.283 -6.994
231 2HD1 LEU 31 2HD1 LEU 31 -14.667 -7.717 -5.975
232 3HD1 LEU 31 3HD1 LEU 31 -14.412 -6.129 -5.223
233 1HD2 LEU 31 1HD2 LEU 31 -11.828 -5.296 -5.049
234 2HD2 LEU 31 2HD2 LEU 31 -10.990 -5.639 -6.581
235 3HD2 LEU 31 3HD2 LEU 31 -12.556 -4.823 -6.598
236 1HG LEU 31 1HG LEU 31 -12.416 -7.358 -7.155
237 H THR 32 H THR 32 -10.901 -10.942 -6.780
238 HA THR 32 HA THR 32 -10.875 -11.688 -8.926
239 HB THR 32 HB THR 32 -13.905 -11.719 -8.876
240 HG1 THR 32 HG1 THR 32 -12.965 -12.580 -6.952
241 1HG2 THR 32 1HG2 THR 32 -11.900 -13.726 -10.008
242 2HG2 THR 32 2HG2 THR 32 -13.670 -13.821 -10.094
243 3HG2 THR 32 3HG2 THR 32 -12.815 -12.564 -10.996
244 H ARG 33 H ARG 33 -11.047 -8.750 -8.393
245 HA ARG 33 HA ARG 33 -11.822 -7.859 -11.132
246 1HB ARG 33 1HB ARG 33 -13.480 -7.266 -9.129
247 2HB ARG 33 2HB ARG 33 -12.350 -5.943 -8.895
248 1HG ARG 33 1HG ARG 33 -13.495 -4.834 -10.473
249 2HG ARG 33 2HG ARG 33 -12.719 -5.884 -11.647
250 1HD ARG 33 1HD ARG 33 -14.852 -6.384 -12.243
251 2HD ARG 33 2HD ARG 33 -14.773 -7.525 -10.895
252 HE ARG 33 HNE ARG 33 -15.598 -5.122 -9.751
253 1HH1 ARG 33 2HH2 ARG 33 -16.933 -7.268 -12.181
254 2HH1 ARG 33 1HH2 ARG 33 -18.574 -6.779 -11.893
255 1HH2 ARG 33 2HH1 ARG 33 -17.717 -4.421 -9.474
256 2HH2 ARG 33 1HH1 ARG 33 -18.980 -5.155 -10.426
257 HA PRO 34 HA PRO 34 -7.537 -6.459 -10.337
258 1HB PRO 34 1HB PRO 34 -6.638 -6.675 -12.917
259 2HB PRO 34 2HB PRO 34 -6.643 -8.003 -11.724
260 1HG PRO 34 1HG PRO 34 -8.512 -7.540 -14.019
261 2HG PRO 34 2HG PRO 34 -7.972 -9.081 -13.285
262 1HD PRO 34 1HD PRO 34 -10.423 -7.765 -12.823
263 2HD PRO 34 2HD PRO 34 -9.740 -9.073 -11.813
264 H ARG 35 H ARG 35 -6.471 -4.578 -10.786
265 HA ARG 35 HA ARG 35 -8.157 -2.402 -11.914
266 1HB ARG 35 1HB ARG 35 -7.061 -2.414 -9.547
267 2HB ARG 35 2HB ARG 35 -5.558 -2.075 -10.389
268 1HG ARG 35 1HG ARG 35 -6.084 0.097 -10.278
269 2HG ARG 35 2HG ARG 35 -7.331 -0.170 -11.482
270 1HD ARG 35 1HD ARG 35 -8.031 -0.758 -8.604
271 2HD ARG 35 2HD ARG 35 -7.789 0.917 -9.044
272 HE ARG 35 HNE ARG 35 -9.972 -0.845 -9.905
273 1HH1 ARG 35 2HH2 ARG 35 -8.401 2.230 -10.478
274 2HH1 ARG 35 1HH2 ARG 35 -9.829 3.021 -11.068
275 1HH2 ARG 35 2HH1 ARG 35 -11.788 0.134 -10.806
276 2HH2 ARG 35 1HH1 ARG 35 -11.714 1.809 -11.264
277 H TYR 36 H TYR 36 -5.227 -4.105 -12.566
278 HA TYR 36 HA TYR 36 -3.585 -3.972 -14.119
279 1HB TYR 36 1HB TYR 36 -6.138 -4.229 -15.275
280 2HB TYR 36 2HB TYR 36 -5.287 -3.147 -16.339
281 HD1 TYR 36 HD1 TYR 36 -3.467 -3.951 -17.735
282 HD2 TYR 36 HD2 TYR 36 -5.241 -6.510 -14.755
283 HE1 TYR 36 HE1 TYR 36 -2.393 -5.925 -18.793
284 HE2 TYR 36 HE2 TYR 36 -4.142 -8.491 -15.805
285 HH TYR 36 HH TYR 36 -2.226 -8.230 -18.783
286 1HN NH2 37 1HN NH2 37 -2.371 -2.171 -13.126
287 2HN NH2 37 2HN NH2 37 -2.367 -0.663 -14.039
Start of MODEL 3
1 1H ALA 1 1H ALA 1 7.090 2.886 -17.214
2 2H ALA 1 2H ALA 1 7.274 3.310 -15.639
3 3H ALA 1 3H ALA 1 8.149 2.058 -16.238
4 HA ALA 1 HA ALA 1 6.462 0.592 -16.204
5 1HB ALA 1 1HB ALA 1 6.872 1.859 -13.876
6 2HB ALA 1 2HB ALA 1 5.195 2.381 -14.146
7 3HB ALA 1 3HB ALA 1 5.599 0.654 -14.050
8 HA PRO 2 HA PRO 2 2.840 1.665 -18.492
9 1HB PRO 2 1HB PRO 2 0.866 -0.028 -17.596
10 2HB PRO 2 2HB PRO 2 2.258 -0.547 -18.579
11 1HG PRO 2 1HG PRO 2 1.807 -0.880 -15.631
12 2HG PRO 2 2HG PRO 2 2.674 -1.948 -16.772
13 1HD PRO 2 1HD PRO 2 3.810 -0.088 -14.995
14 2HD PRO 2 2HD PRO 2 4.663 -0.857 -16.366
15 H LEU 3 H LEU 3 2.629 3.758 -17.777
16 HA LEU 3 HA LEU 3 1.801 5.609 -16.768
17 1HB LEU 3 1HB LEU 3 -0.188 4.354 -18.153
18 2HB LEU 3 2HB LEU 3 -0.953 4.449 -16.589
19 1HD1 LEU 3 1HD1 LEU 3 0.448 7.596 -16.074
20 2HD1 LEU 3 2HD1 LEU 3 -1.195 8.131 -16.473
21 3HD1 LEU 3 3HD1 LEU 3 -0.958 6.726 -15.420
22 1HD2 LEU 3 1HD2 LEU 3 0.411 8.020 -18.503
23 2HD2 LEU 3 2HD2 LEU 3 1.235 6.468 -18.717
24 3HD2 LEU 3 3HD2 LEU 3 -0.250 6.814 -19.609
25 1HG LEU 3 1HG LEU 3 -1.623 6.326 -17.875
26 H GLU 4 H GLU 4 3.024 5.445 -14.891
27 HA GLU 4 HA GLU 4 2.510 3.890 -12.651
28 1HB GLU 4 1HB GLU 4 4.060 6.386 -13.168
29 2HB GLU 4 2HB GLU 4 3.533 6.212 -11.510
30 1HG GLU 4 1HG GLU 4 4.626 3.674 -12.297
31 2HG GLU 4 2HG GLU 4 5.726 4.910 -12.866
32 HA PRO 5 HA PRO 5 -1.118 5.470 -10.813
33 1HB PRO 5 1HB PRO 5 -0.735 4.896 -8.121
34 2HB PRO 5 2HB PRO 5 -1.181 3.713 -9.380
35 1HG PRO 5 1HG PRO 5 1.478 4.169 -8.084
36 2HG PRO 5 2HG PRO 5 0.787 2.664 -8.763
37 1HD PRO 5 1HD PRO 5 2.673 4.363 -9.998
38 2HD PRO 5 2HD PRO 5 1.728 3.080 -10.806
39 H GLU 6 H GLU 6 1.728 7.023 -10.420
40 HA GLU 6 HA GLU 6 2.432 9.065 -9.943
41 1HB GLU 6 1HB GLU 6 -0.201 9.417 -10.824
42 2HB GLU 6 2HB GLU 6 -0.097 10.432 -9.383
43 1HG GLU 6 1HG GLU 6 1.697 11.716 -10.301
44 2HG GLU 6 2HG GLU 6 2.035 10.513 -11.547
45 H TYR 7 H TYR 7 3.600 9.426 -8.203
46 HA TYR 7 HA TYR 7 2.279 9.571 -5.558
47 1HB TYR 7 1HB TYR 7 2.994 7.172 -6.252
48 2HB TYR 7 2HB TYR 7 4.626 7.706 -5.918
49 HD1 TYR 7 HD1 TYR 7 1.503 6.522 -4.550
50 HD2 TYR 7 HD2 TYR 7 5.097 8.692 -3.552
51 HE1 TYR 7 HE1 TYR 7 1.053 6.141 -2.136
52 HE2 TYR 7 HE2 TYR 7 4.610 8.313 -1.117
53 HH TYR 7 HH TYR 7 1.623 7.218 0.038
54 HA PRO 8 HA PRO 8 5.608 12.722 -5.955
55 1HB PRO 8 1HB PRO 8 4.260 14.770 -4.662
56 2HB PRO 8 2HB PRO 8 4.214 14.441 -6.414
57 1HG PRO 8 1HG PRO 8 2.133 13.878 -4.352
58 2HG PRO 8 2HG PRO 8 1.948 14.187 -6.103
59 1HD PRO 8 1HD PRO 8 1.893 11.668 -4.796
60 2HD PRO 8 2HD PRO 8 1.995 11.940 -6.557
61 H GLY 9 H GLY 9 4.102 11.094 -3.385
62 1HA GLY 9 1HA GLY 9 5.044 10.350 -1.394
63 2HA GLY 9 2HA GLY 9 6.461 11.362 -1.679
64 H ASP 10 H ASP 10 2.989 11.512 -0.807
65 HA ASP 10 HA ASP 10 3.482 13.553 1.245
66 1HB ASP 10 1HB ASP 10 1.900 13.918 -1.301
67 2HB ASP 10 2HB ASP 10 1.173 14.520 0.178
68 H ASN 11 H ASN 11 1.535 13.835 2.544
69 HA ASN 11 HA ASN 11 -0.069 13.122 3.954
70 1HB ASN 11 1HB ASN 11 -1.151 13.030 1.536
71 2HB ASN 11 2HB ASN 11 -1.255 11.310 1.863
72 1HD2 ASN 11 1HD2 ASN 11 -2.899 10.602 3.338
73 2HD2 ASN 11 2HD2 ASN 11 -3.987 11.796 4.069
74 H ALA 12 H ALA 12 1.249 12.112 5.403
75 HA ALA 12 HA ALA 12 2.211 10.547 6.682
76 1HB ALA 12 1HB ALA 12 0.007 8.902 5.566
77 2HB ALA 12 2HB ALA 12 1.428 8.000 6.089
78 3HB ALA 12 3HB ALA 12 0.593 9.086 7.215
79 H THR 13 H THR 13 3.886 8.855 6.632
80 HA THR 13 HA THR 13 5.805 9.423 4.626
81 HB THR 13 HB THR 13 7.008 7.471 5.725
82 HG1 THR 13 HG1 THR 13 5.986 6.617 7.549
83 1HG2 THR 13 1HG2 THR 13 7.153 9.843 6.620
84 2HG2 THR 13 2HG2 THR 13 5.863 9.416 7.767
85 3HG2 THR 13 3HG2 THR 13 7.420 8.565 7.818
86 HA PRO 14 HA PRO 14 4.655 6.652 1.426
87 1HB PRO 14 1HB PRO 14 7.080 5.942 0.273
88 2HB PRO 14 2HB PRO 14 6.242 7.492 0.044
89 1HG PRO 14 1HG PRO 14 8.617 6.909 1.741
90 2HG PRO 14 2HG PRO 14 8.151 8.423 0.911
91 1HD PRO 14 1HD PRO 14 7.812 7.840 3.646
92 2HD PRO 14 2HD PRO 14 7.008 9.166 2.758
93 H GLU 15 H GLU 15 6.493 5.496 4.061
94 HA GLU 15 HA GLU 15 6.421 2.654 3.377
95 1HB GLU 15 1HB GLU 15 7.229 2.307 5.635
96 2HB GLU 15 2HB GLU 15 8.168 3.583 4.854
97 1HG GLU 15 1HG GLU 15 7.050 5.301 6.068
98 2HG GLU 15 2HG GLU 15 5.832 4.202 6.712
99 H GLN 16 H GLN 16 4.092 4.955 4.634
100 HA GLN 16 HA GLN 16 2.563 2.959 6.123
101 1HB GLN 16 1HB GLN 16 2.712 5.506 6.576
102 2HB GLN 16 2HB GLN 16 1.616 5.707 5.215
103 1HG GLN 16 1HG GLN 16 -0.099 5.378 6.647
104 2HG GLN 16 2HG GLN 16 0.379 3.689 6.772
105 1HE2 GLN 16 1HE2 GLN 16 1.099 2.953 8.839
106 2HE2 GLN 16 2HE2 GLN 16 1.470 4.129 10.113
107 H MET 17 H MET 17 2.064 4.834 3.114
108 HA MET 17 HA MET 17 -0.312 3.466 2.304
109 1HB MET 17 1HB MET 17 1.105 5.677 1.465
110 2HB MET 17 2HB MET 17 1.414 4.557 0.134
111 1HG MET 17 1HG MET 17 -1.390 4.997 1.207
112 2HG MET 17 2HG MET 17 -0.663 6.175 0.132
113 1HE MET 17 1HE MET 17 -3.078 3.985 0.397
114 2HE MET 17 2HE MET 17 -3.508 3.841 -1.322
115 3HE MET 17 3HE MET 17 -2.731 2.483 -0.494
116 H ALA 18 H ALA 18 3.085 2.614 1.953
117 HA ALA 18 HA ALA 18 2.983 0.614 0.008
118 1HB ALA 18 1HB ALA 18 5.005 1.535 1.261
119 2HB ALA 18 2HB ALA 18 4.569 0.459 2.606
120 3HB ALA 18 3HB ALA 18 4.991 -0.219 1.022
121 H GLN 19 H GLN 19 1.864 0.459 3.399
122 HA GLN 19 HA GLN 19 1.391 -2.384 3.472
123 1HB GLN 19 1HB GLN 19 1.113 -0.097 5.233
124 2HB GLN 19 2HB GLN 19 -0.405 -0.968 5.246
125 1HG GLN 19 1HG GLN 19 2.157 -2.554 5.545
126 2HG GLN 19 2HG GLN 19 1.643 -1.522 6.874
127 1HE2 GLN 19 1HE2 GLN 19 0.853 -4.575 5.150
128 2HE2 GLN 19 2HE2 GLN 19 -0.470 -4.869 6.292
129 H TYR 20 H TYR 20 -0.863 0.369 2.990
130 HA TYR 20 HA TYR 20 -3.176 -1.181 2.327
131 1HB TYR 20 1HB TYR 20 -2.294 1.668 2.019
132 2HB TYR 20 2HB TYR 20 -3.543 1.108 0.927
133 HD1 TYR 20 HD1 TYR 20 -5.765 1.073 1.496
134 HD2 TYR 20 HD2 TYR 20 -2.782 1.224 4.610
135 HE1 TYR 20 HE1 TYR 20 -7.543 1.514 3.159
136 HE2 TYR 20 HE2 TYR 20 -4.579 1.654 6.293
137 HH TYR 20 HH TYR 20 -7.995 2.025 5.330
138 H ALA 21 H ALA 21 -0.616 0.209 0.191
139 HA ALA 21 HA ALA 21 -1.777 -0.640 -2.257
140 1HB ALA 21 1HB ALA 21 1.220 -0.532 -1.823
141 2HB ALA 21 2HB ALA 21 0.257 -0.019 -3.226
142 3HB ALA 21 3HB ALA 21 0.251 0.953 -1.751
143 H ALA 22 H ALA 22 0.507 -2.359 -0.040
144 HA ALA 22 HA ALA 22 0.612 -4.763 -1.593
145 1HB ALA 22 1HB ALA 22 2.148 -3.967 0.356
146 2HB ALA 22 2HB ALA 22 0.915 -4.680 1.421
147 3HB ALA 22 3HB ALA 22 1.762 -5.685 0.223
148 H GLU 23 H GLU 23 -1.636 -3.656 0.976
149 HA GLU 23 HA GLU 23 -3.144 -6.060 1.209
150 1HB GLU 23 1HB GLU 23 -3.210 -4.162 2.805
151 2HB GLU 23 2HB GLU 23 -4.133 -3.222 1.636
152 1HG GLU 23 1HG GLU 23 -5.315 -5.896 2.089
153 2HG GLU 23 2HG GLU 23 -5.128 -5.002 3.584
154 H LEU 24 H LEU 24 -3.772 -3.166 -0.844
155 HA LEU 24 HA LEU 24 -6.053 -4.013 -2.184
156 1HB LEU 24 1HB LEU 24 -5.121 -1.790 -2.471
157 2HB LEU 24 2HB LEU 24 -3.676 -2.449 -3.217
158 1HD1 LEU 24 1HD1 LEU 24 -7.160 -1.640 -5.467
159 2HD1 LEU 24 2HD1 LEU 24 -7.362 -1.974 -3.740
160 3HD1 LEU 24 3HD1 LEU 24 -6.409 -0.560 -4.262
161 1HD2 LEU 24 1HD2 LEU 24 -3.796 -2.772 -5.895
162 2HD2 LEU 24 2HD2 LEU 24 -4.939 -1.522 -6.412
163 3HD2 LEU 24 3HD2 LEU 24 -3.775 -1.177 -5.116
164 1HG LEU 24 1HG LEU 24 -5.744 -3.437 -4.869
165 H ARG 25 H ARG 25 -2.663 -4.797 -3.162
166 HA ARG 25 HA ARG 25 -3.200 -6.430 -5.405
167 1HB ARG 25 1HB ARG 25 -0.941 -5.970 -4.905
168 2HB ARG 25 2HB ARG 25 -1.077 -6.575 -3.256
169 1HG ARG 25 1HG ARG 25 -1.276 -8.874 -4.018
170 2HG ARG 25 2HG ARG 25 -1.282 -8.358 -5.717
171 1HD ARG 25 1HD ARG 25 1.007 -7.662 -5.590
172 2HD ARG 25 2HD ARG 25 1.003 -7.736 -3.812
173 HE ARG 25 HNE ARG 25 0.410 -10.279 -5.095
174 1HH1 ARG 25 2HH2 ARG 25 3.124 -8.334 -3.976
175 2HH1 ARG 25 1HH2 ARG 25 4.176 -9.724 -3.750
176 1HH2 ARG 25 2HH1 ARG 25 1.834 -12.007 -4.869
177 2HH2 ARG 25 1HH1 ARG 25 3.431 -11.701 -4.229
178 H ARG 26 H ARG 26 -3.548 -7.308 -2.014
179 HA ARG 26 HA ARG 26 -4.222 -10.122 -2.562
180 1HB ARG 26 1HB ARG 26 -4.886 -8.840 0.082
181 2HB ARG 26 2HB ARG 26 -4.251 -10.439 -0.282
182 1HG ARG 26 1HG ARG 26 -2.062 -9.035 -0.990
183 2HG ARG 26 2HG ARG 26 -2.858 -7.798 -0.011
184 1HD ARG 26 1HD ARG 26 -1.295 -8.898 1.372
185 2HD ARG 26 2HD ARG 26 -2.921 -9.395 1.897
186 HE ARG 26 HNE ARG 26 -1.866 -11.178 -0.105
187 1HH1 ARG 26 2HH2 ARG 26 -1.516 -10.506 3.280
188 2HH1 ARG 26 1HH2 ARG 26 -0.998 -12.126 3.688
189 1HH2 ARG 26 2HH1 ARG 26 -1.300 -13.280 0.414
190 2HH2 ARG 26 1HH1 ARG 26 -0.931 -13.697 2.051
191 H TYR 27 H TYR 27 -5.898 -7.158 -1.589
192 HA TYR 27 HA TYR 27 -8.521 -8.083 -1.413
193 1HB TYR 27 1HB TYR 27 -7.408 -5.707 -1.007
194 2HB TYR 27 2HB TYR 27 -7.959 -5.383 -2.641
195 HD1 TYR 27 HD1 TYR 27 -10.117 -4.378 -2.808
196 HD2 TYR 27 HD2 TYR 27 -9.195 -6.905 0.559
197 HE1 TYR 27 HE1 TYR 27 -12.317 -3.811 -1.774
198 HE2 TYR 27 HE2 TYR 27 -11.414 -6.377 1.565
199 HH TYR 27 HH TYR 27 -13.364 -3.781 0.498
200 H ILE 28 H ILE 28 -6.869 -6.849 -4.342
201 HA ILE 28 HA ILE 28 -8.888 -7.109 -6.277
202 HB ILE 28 HB ILE 28 -5.896 -7.597 -6.437
203 1HG1 ILE 28 1HG1 ILE 28 -7.545 -5.187 -7.366
204 2HG1 ILE 28 2HG1 ILE 28 -6.775 -5.267 -5.810
205 1HG2 ILE 28 1HG2 ILE 28 -7.377 -6.831 -8.903
206 2HG2 ILE 28 2HG2 ILE 28 -5.890 -7.764 -8.729
207 3HG2 ILE 28 3HG2 ILE 28 -7.461 -8.530 -8.469
208 1HD1 ILE 28 1HD1 ILE 28 -4.545 -5.562 -6.912
209 2HD1 ILE 28 2HD1 ILE 28 -5.334 -5.373 -8.492
210 3HD1 ILE 28 3HD1 ILE 28 -5.344 -4.035 -7.336
211 H ASN 29 H ASN 29 -6.497 -9.655 -5.380
212 HA ASN 29 HA ASN 29 -7.685 -11.731 -6.913
213 1HB ASN 29 1HB ASN 29 -5.382 -11.645 -5.739
214 2HB ASN 29 2HB ASN 29 -6.225 -12.151 -4.272
215 1HD2 ASN 29 1HD2 ASN 29 -7.622 -14.269 -4.560
216 2HD2 ASN 29 2HD2 ASN 29 -6.861 -15.433 -5.645
217 H MET 30 H MET 30 -8.317 -10.684 -3.553
218 HA MET 30 HA MET 30 -10.355 -12.668 -3.022
219 1HB MET 30 1HB MET 30 -8.793 -11.187 -1.440
220 2HB MET 30 2HB MET 30 -10.145 -10.061 -1.520
221 1HG MET 30 1HG MET 30 -10.891 -11.288 0.252
222 2HG MET 30 2HG MET 30 -11.514 -12.352 -1.001
223 1HE MET 30 1HE MET 30 -7.896 -13.034 1.771
224 2HE MET 30 2HE MET 30 -7.734 -11.855 0.452
225 3HE MET 30 3HE MET 30 -8.975 -11.623 1.706
226 H LEU 31 H LEU 31 -10.457 -9.795 -4.809
227 HA LEU 31 HA LEU 31 -13.388 -9.382 -4.633
228 1HB LEU 31 1HB LEU 31 -12.312 -7.351 -4.352
229 2HB LEU 31 2HB LEU 31 -10.958 -7.801 -5.372
230 1HD1 LEU 31 1HD1 LEU 31 -14.237 -5.916 -5.639
231 2HD1 LEU 31 2HD1 LEU 31 -14.349 -6.286 -7.377
232 3HD1 LEU 31 3HD1 LEU 31 -14.591 -7.563 -6.180
233 1HD2 LEU 31 1HD2 LEU 31 -12.378 -4.827 -6.868
234 2HD2 LEU 31 2HD2 LEU 31 -11.326 -5.387 -5.554
235 3HD2 LEU 31 3HD2 LEU 31 -10.918 -5.752 -7.240
236 1HG LEU 31 1HG LEU 31 -12.308 -7.507 -7.366
237 H THR 32 H THR 32 -11.085 -11.057 -6.535
238 HA THR 32 HA THR 32 -11.167 -12.148 -8.528
239 HB THR 32 HB THR 32 -14.195 -11.975 -8.447
240 HG1 THR 32 HG1 THR 32 -13.143 -12.569 -6.445
241 1HG2 THR 32 1HG2 THR 32 -13.579 -13.181 -10.389
242 2HG2 THR 32 2HG2 THR 32 -12.184 -13.945 -9.592
243 3HG2 THR 32 3HG2 THR 32 -13.835 -14.448 -9.182
244 H ARG 33 H ARG 33 -11.071 -9.183 -8.451
245 HA ARG 33 HA ARG 33 -11.756 -8.636 -11.258
246 1HB ARG 33 1HB ARG 33 -13.535 -7.884 -9.281
247 2HB ARG 33 2HB ARG 33 -12.524 -6.450 -9.349
248 1HG ARG 33 1HG ARG 33 -13.345 -7.412 -12.025
249 2HG ARG 33 2HG ARG 33 -14.707 -7.107 -10.962
250 1HD ARG 33 1HD ARG 33 -14.006 -4.808 -10.567
251 2HD ARG 33 2HD ARG 33 -12.486 -5.069 -11.418
252 HE ARG 33 HNE ARG 33 -13.566 -4.907 -13.468
253 1HH1 ARG 33 2HH2 ARG 33 -16.030 -5.124 -11.011
254 2HH1 ARG 33 1HH2 ARG 33 -17.350 -4.935 -12.128
255 1HH2 ARG 33 2HH1 ARG 33 -15.249 -4.637 -14.909
256 2HH2 ARG 33 1HH1 ARG 33 -16.879 -4.725 -14.356
257 HA PRO 34 HA PRO 34 -7.828 -6.549 -10.897
258 1HB PRO 34 1HB PRO 34 -7.829 -5.027 -13.195
259 2HB PRO 34 2HB PRO 34 -7.535 -6.784 -13.120
260 1HG PRO 34 1HG PRO 34 -10.009 -5.322 -13.967
261 2HG PRO 34 2HG PRO 34 -9.358 -6.888 -14.544
262 1HD PRO 34 1HD PRO 34 -11.425 -6.508 -12.688
263 2HD PRO 34 2HD PRO 34 -10.549 -8.037 -12.961
264 H ARG 35 H ARG 35 -6.920 -4.176 -11.221
265 HA ARG 35 HA ARG 35 -8.261 -2.416 -9.367
266 1HB ARG 35 1HB ARG 35 -5.827 -2.418 -9.584
267 2HB ARG 35 2HB ARG 35 -5.935 -1.921 -11.274
268 1HG ARG 35 1HG ARG 35 -7.444 -0.089 -9.508
269 2HG ARG 35 2HG ARG 35 -5.784 -0.246 -8.972
270 1HD ARG 35 1HD ARG 35 -6.479 0.342 -11.880
271 2HD ARG 35 2HD ARG 35 -6.353 1.613 -10.653
272 HE ARG 35 HNE ARG 35 -4.046 -0.161 -10.704
273 1HH1 ARG 35 2HH2 ARG 35 -5.346 2.708 -12.213
274 2HH1 ARG 35 1HH2 ARG 35 -3.775 3.344 -12.645
275 1HH2 ARG 35 2HH1 ARG 35 -2.046 0.720 -11.186
276 2HH2 ARG 35 1HH1 ARG 35 -1.937 2.205 -12.093
277 H TYR 36 H TYR 36 -9.973 -1.289 -9.780
278 HA TYR 36 HA TYR 36 -11.348 -0.802 -12.100
279 1HB TYR 36 1HB TYR 36 -11.850 -0.342 -9.559
280 2HB TYR 36 2HB TYR 36 -11.231 1.264 -9.890
281 HD1 TYR 36 HD1 TYR 36 -13.712 -1.294 -11.052
282 HD2 TYR 36 HD2 TYR 36 -12.746 2.903 -10.777
283 HE1 TYR 36 HE1 TYR 36 -15.997 -0.712 -11.872
284 HE2 TYR 36 HE2 TYR 36 -15.041 3.475 -11.584
285 HH TYR 36 HH TYR 36 -17.488 1.904 -11.446
286 1HN NH2 37 1HN NH2 37 -10.836 0.305 -14.003
287 2HN NH2 37 2HN NH2 37 -9.652 1.612 -14.018
Start of MODEL 4
1 1H ALA 1 1H ALA 1 -24.092 -1.603 7.590
2 2H ALA 1 2H ALA 1 -22.545 -1.785 7.101
3 3H ALA 1 3H ALA 1 -23.163 -2.800 8.253
4 HA ALA 1 HA ALA 1 -23.163 -1.228 9.898
5 1HB ALA 1 1HB ALA 1 -20.708 -1.389 8.239
6 2HB ALA 1 2HB ALA 1 -20.800 0.077 9.226
7 3HB ALA 1 3HB ALA 1 -20.920 -1.511 10.000
8 HA PRO 2 HA PRO 2 -24.833 2.672 8.802
9 1HB PRO 2 1HB PRO 2 -24.225 4.208 11.034
10 2HB PRO 2 2HB PRO 2 -25.523 2.987 10.952
11 1HG PRO 2 1HG PRO 2 -22.859 2.800 12.288
12 2HG PRO 2 2HG PRO 2 -24.382 1.953 12.672
13 1HD PRO 2 1HD PRO 2 -22.155 0.906 11.255
14 2HD PRO 2 2HD PRO 2 -23.772 0.162 11.386
15 H LEU 3 H LEU 3 -21.591 3.083 10.319
16 HA LEU 3 HA LEU 3 -20.956 5.323 8.541
17 1HB LEU 3 1HB LEU 3 -18.896 5.495 9.683
18 2HB LEU 3 2HB LEU 3 -20.190 5.428 10.853
19 1HD1 LEU 3 1HD1 LEU 3 -17.107 3.564 12.151
20 2HD1 LEU 3 2HD1 LEU 3 -16.955 4.706 10.813
21 3HD1 LEU 3 3HD1 LEU 3 -17.931 5.144 12.237
22 1HD2 LEU 3 1HD2 LEU 3 -20.596 3.611 12.210
23 2HD2 LEU 3 2HD2 LEU 3 -20.076 2.046 11.524
24 3HD2 LEU 3 3HD2 LEU 3 -19.171 2.793 12.842
25 1HG LEU 3 1HG LEU 3 -18.480 2.977 10.203
26 H GLU 4 H GLU 4 -19.948 5.155 6.627
27 HA GLU 4 HA GLU 4 -18.883 2.523 5.800
28 1HB GLU 4 1HB GLU 4 -20.056 4.876 4.309
29 2HB GLU 4 2HB GLU 4 -19.075 3.651 3.485
30 1HG GLU 4 1HG GLU 4 -20.571 1.879 4.361
31 2HG GLU 4 2HG GLU 4 -21.624 3.121 5.049
32 HA PRO 5 HA PRO 5 -14.773 4.064 5.725
33 1HB PRO 5 1HB PRO 5 -13.584 2.568 3.725
34 2HB PRO 5 2HB PRO 5 -14.058 1.954 5.325
35 1HG PRO 5 1HG PRO 5 -15.441 1.572 2.697
36 2HG PRO 5 2HG PRO 5 -15.361 0.483 4.113
37 1HD PRO 5 1HD PRO 5 -17.490 2.191 3.415
38 2HD PRO 5 2HD PRO 5 -17.265 1.381 4.990
39 H GLU 6 H GLU 6 -15.797 6.134 5.050
40 HA GLU 6 HA GLU 6 -15.086 7.024 2.315
41 1HB GLU 6 1HB GLU 6 -16.793 8.168 4.517
42 2HB GLU 6 2HB GLU 6 -16.016 9.283 3.394
43 1HG GLU 6 1HG GLU 6 -18.004 8.925 2.311
44 2HG GLU 6 2HG GLU 6 -16.945 7.789 1.485
45 H TYR 7 H TYR 7 -13.137 7.605 1.910
46 HA TYR 7 HA TYR 7 -11.755 9.643 3.542
47 1HB TYR 7 1HB TYR 7 -10.757 6.830 3.024
48 2HB TYR 7 2HB TYR 7 -9.613 8.150 3.194
49 HD1 TYR 7 HD1 TYR 7 -9.336 9.392 5.251
50 HD2 TYR 7 HD2 TYR 7 -12.018 6.034 5.019
51 HE1 TYR 7 HE1 TYR 7 -9.413 9.282 7.750
52 HE2 TYR 7 HE2 TYR 7 -12.090 5.908 7.502
53 HH TYR 7 HH TYR 7 -11.297 6.750 9.424
54 HA PRO 8 HA PRO 8 -11.361 10.100 -1.111
55 1HB PRO 8 1HB PRO 8 -12.751 12.454 -1.477
56 2HB PRO 8 2HB PRO 8 -13.458 10.822 -1.617
57 1HG PRO 8 1HG PRO 8 -13.759 12.809 0.593
58 2HG PRO 8 2HG PRO 8 -14.867 11.507 0.069
59 1HD PRO 8 1HD PRO 8 -13.057 11.450 2.277
60 2HD PRO 8 2HD PRO 8 -13.997 10.085 1.611
61 H GLY 9 H GLY 9 -9.278 10.636 -1.176
62 1HA GLY 9 1HA GLY 9 -7.751 12.487 -1.742
63 2HA GLY 9 2HA GLY 9 -8.452 13.427 -0.424
64 H ASP 10 H ASP 10 -6.393 10.664 -1.224
65 HA ASP 10 HA ASP 10 -4.922 10.949 1.325
66 1HB ASP 10 1HB ASP 10 -6.405 8.546 0.310
67 2HB ASP 10 2HB ASP 10 -4.744 8.255 0.781
68 H ASN 11 H ASN 11 -2.795 10.733 1.097
69 HA ASN 11 HA ASN 11 -1.391 9.434 -1.019
70 1HB ASN 11 1HB ASN 11 -2.151 11.520 -2.251
71 2HB ASN 11 2HB ASN 11 -1.250 12.487 -1.090
72 1HD2 ASN 11 1HD2 ASN 11 -1.080 10.690 -4.050
73 2HD2 ASN 11 2HD2 ASN 11 0.674 10.811 -4.182
74 H ALA 12 H ALA 12 -0.612 8.498 0.971
75 HA ALA 12 HA ALA 12 1.135 10.254 2.609
76 1HB ALA 12 1HB ALA 12 0.754 8.857 4.295
77 2HB ALA 12 2HB ALA 12 -0.484 8.060 3.319
78 3HB ALA 12 3HB ALA 12 1.174 7.427 3.332
79 H THR 13 H THR 13 3.283 9.620 2.938
80 HA THR 13 HA THR 13 4.982 9.303 0.860
81 HB THR 13 HB THR 13 6.659 8.444 2.525
82 HG1 THR 13 HG1 THR 13 4.247 8.089 3.922
83 1HG2 THR 13 1HG2 THR 13 5.912 10.915 2.442
84 2HG2 THR 13 2HG2 THR 13 4.916 10.544 3.872
85 3HG2 THR 13 3HG2 THR 13 6.675 10.339 3.937
86 HA PRO 14 HA PRO 14 4.688 5.179 -0.702
87 1HB PRO 14 1HB PRO 14 7.133 4.834 -1.930
88 2HB PRO 14 2HB PRO 14 5.817 5.856 -2.566
89 1HG PRO 14 1HG PRO 14 8.333 6.684 -1.168
90 2HG PRO 14 2HG PRO 14 7.398 7.539 -2.431
91 1HD PRO 14 1HD PRO 14 7.327 8.029 0.354
92 2HD PRO 14 2HD PRO 14 6.152 8.637 -0.849
93 H GLU 15 H GLU 15 6.661 5.904 1.917
94 HA GLU 15 HA GLU 15 7.568 3.135 2.389
95 1HB GLU 15 1HB GLU 15 8.793 4.027 4.227
96 2HB GLU 15 2HB GLU 15 9.003 5.151 2.881
97 1HG GLU 15 1HG GLU 15 7.054 6.467 3.891
98 2HG GLU 15 2HG GLU 15 7.242 5.494 5.343
99 H GLN 16 H GLN 16 4.796 5.119 3.029
100 HA GLN 16 HA GLN 16 3.924 3.315 5.247
101 1HB GLN 16 1HB GLN 16 4.104 5.870 5.589
102 2HB GLN 16 2HB GLN 16 2.692 6.002 4.550
103 1HG GLN 16 1HG GLN 16 2.262 3.943 6.609
104 2HG GLN 16 2HG GLN 16 2.824 5.430 7.353
105 1HE2 GLN 16 1HE2 GLN 16 0.025 3.880 6.993
106 2HE2 GLN 16 2HE2 GLN 16 -0.991 5.290 6.699
107 H MET 17 H MET 17 2.711 4.980 2.276
108 HA MET 17 HA MET 17 0.236 3.528 2.165
109 1HB MET 17 1HB MET 17 0.839 5.677 0.933
110 2HB MET 17 2HB MET 17 1.787 4.682 -0.180
111 1HG MET 17 1HG MET 17 -0.773 3.424 0.006
112 2HG MET 17 2HG MET 17 -1.101 5.137 -0.041
113 1HE MET 17 1HE MET 17 -2.227 5.498 -2.251
114 2HE MET 17 2HE MET 17 -0.867 6.627 -2.038
115 3HE MET 17 3HE MET 17 -1.160 5.877 -3.625
116 H ALA 18 H ALA 18 3.487 2.581 1.347
117 HA ALA 18 HA ALA 18 3.104 0.464 -0.459
118 1HB ALA 18 1HB ALA 18 5.326 0.391 -0.139
119 2HB ALA 18 2HB ALA 18 5.199 1.444 1.281
120 3HB ALA 18 3HB ALA 18 5.090 -0.303 1.472
121 H GLN 19 H GLN 19 2.310 0.612 2.991
122 HA GLN 19 HA GLN 19 1.899 -2.252 3.283
123 1HB GLN 19 1HB GLN 19 2.127 0.038 4.981
124 2HB GLN 19 2HB GLN 19 0.519 -0.588 5.273
125 1HG GLN 19 1HG GLN 19 2.793 -2.582 5.209
126 2HG GLN 19 2HG GLN 19 2.744 -1.444 6.545
127 1HE2 GLN 19 1HE2 GLN 19 0.753 -1.340 7.903
128 2HE2 GLN 19 2HE2 GLN 19 -0.178 -2.833 8.021
129 H TYR 20 H TYR 20 -0.405 0.514 3.259
130 HA TYR 20 HA TYR 20 -2.801 -0.992 3.025
131 1HB TYR 20 1HB TYR 20 -1.921 1.818 2.600
132 2HB TYR 20 2HB TYR 20 -3.268 1.340 1.595
133 HD1 TYR 20 HD1 TYR 20 -5.344 1.921 2.403
134 HD2 TYR 20 HD2 TYR 20 -2.266 0.795 5.214
135 HE1 TYR 20 HE1 TYR 20 -6.920 2.313 4.282
136 HE2 TYR 20 HE2 TYR 20 -3.864 1.202 7.098
137 HH TYR 20 HH TYR 20 -7.145 1.420 6.733
138 H ALA 21 H ALA 21 -0.652 0.263 0.399
139 HA ALA 21 HA ALA 21 -2.213 -0.709 -1.767
140 1HB ALA 21 1HB ALA 21 0.801 -0.326 -1.513
141 2HB ALA 21 2HB ALA 21 -0.117 -0.444 -3.036
142 3HB ALA 21 3HB ALA 21 -0.380 0.931 -1.945
143 H ALA 22 H ALA 22 0.202 -2.381 0.301
144 HA ALA 22 HA ALA 22 0.224 -4.836 -1.198
145 1HB ALA 22 1HB ALA 22 0.808 -4.553 1.769
146 2HB ALA 22 2HB ALA 22 1.462 -5.727 0.616
147 3HB ALA 22 3HB ALA 22 1.963 -4.035 0.521
148 H GLU 23 H GLU 23 -2.193 -3.455 0.879
149 HA GLU 23 HA GLU 23 -3.537 -6.010 1.473
150 1HB GLU 23 1HB GLU 23 -3.613 -3.906 2.960
151 2HB GLU 23 2HB GLU 23 -4.687 -3.222 1.735
152 1HG GLU 23 1HG GLU 23 -5.939 -5.600 2.099
153 2HG GLU 23 2HG GLU 23 -5.168 -5.451 3.673
154 H LEU 24 H LEU 24 -4.024 -3.127 -0.639
155 HA LEU 24 HA LEU 24 -6.357 -4.033 -1.949
156 1HB LEU 24 1HB LEU 24 -4.220 -2.027 -2.592
157 2HB LEU 24 2HB LEU 24 -5.182 -2.589 -3.944
158 1HD1 LEU 24 1HD1 LEU 24 -8.372 -2.164 -2.210
159 2HD1 LEU 24 2HD1 LEU 24 -8.107 -1.224 -3.689
160 3HD1 LEU 24 3HD1 LEU 24 -7.578 -2.906 -3.608
161 1HD2 LEU 24 1HD2 LEU 24 -5.400 -0.891 -0.654
162 2HD2 LEU 24 2HD2 LEU 24 -7.096 -0.402 -0.825
163 3HD2 LEU 24 3HD2 LEU 24 -6.693 -2.091 -0.458
164 1HG LEU 24 1HG LEU 24 -6.090 -0.557 -3.018
165 H ARG 25 H ARG 25 -2.973 -4.680 -2.853
166 HA ARG 25 HA ARG 25 -3.384 -6.234 -5.191
167 1HB ARG 25 1HB ARG 25 -1.178 -5.740 -4.538
168 2HB ARG 25 2HB ARG 25 -1.378 -6.390 -2.921
169 1HG ARG 25 1HG ARG 25 -1.659 -8.325 -5.235
170 2HG ARG 25 2HG ARG 25 -0.056 -7.685 -4.873
171 1HD ARG 25 1HD ARG 25 -0.398 -8.355 -2.459
172 2HD ARG 25 2HD ARG 25 -1.851 -9.235 -2.964
173 HE ARG 25 HNE ARG 25 -0.045 -10.284 -4.646
174 1HH1 ARG 25 2HH2 ARG 25 0.186 -9.805 -1.199
175 2HH1 ARG 25 1HH2 ARG 25 1.431 -10.997 -0.972
176 1HH2 ARG 25 2HH1 ARG 25 1.481 -11.916 -4.333
177 2HH2 ARG 25 1HH1 ARG 25 2.008 -12.335 -2.742
178 H ARG 26 H ARG 26 -3.889 -7.193 -1.825
179 HA ARG 26 HA ARG 26 -4.435 -10.009 -2.498
180 1HB ARG 26 1HB ARG 26 -5.297 -8.880 0.148
181 2HB ARG 26 2HB ARG 26 -4.574 -10.438 -0.253
182 1HG ARG 26 1HG ARG 26 -2.403 -8.983 -0.741
183 2HG ARG 26 2HG ARG 26 -3.305 -7.755 0.160
184 1HD ARG 26 1HD ARG 26 -3.559 -9.529 1.994
185 2HD ARG 26 2HD ARG 26 -2.301 -10.432 1.112
186 HE ARG 26 HNE ARG 26 -1.352 -7.801 1.400
187 1HH1 ARG 26 2HH2 ARG 26 -2.388 -10.284 3.650
188 2HH1 ARG 26 1HH2 ARG 26 -1.403 -9.710 4.962
189 1HH2 ARG 26 2HH1 ARG 26 0.002 -7.131 3.091
190 2HH2 ARG 26 1HH1 ARG 26 -0.043 -7.963 4.621
191 H TYR 27 H TYR 27 -6.263 -7.151 -1.451
192 HA TYR 27 HA TYR 27 -8.869 -8.114 -1.513
193 1HB TYR 27 1HB TYR 27 -7.788 -5.716 -1.051
194 2HB TYR 27 2HB TYR 27 -8.343 -5.399 -2.686
195 HD1 TYR 27 HD1 TYR 27 -10.978 -6.593 -2.956
196 HD2 TYR 27 HD2 TYR 27 -9.166 -4.814 0.552
197 HE1 TYR 27 HE1 TYR 27 -13.221 -6.200 -1.990
198 HE2 TYR 27 HE2 TYR 27 -11.407 -4.404 1.490
199 HH TYR 27 HH TYR 27 -13.665 -4.715 1.218
200 H ILE 28 H ILE 28 -7.000 -6.825 -4.300
201 HA ILE 28 HA ILE 28 -8.912 -7.184 -6.329
202 HB ILE 28 HB ILE 28 -5.898 -7.219 -6.269
203 1HG1 ILE 28 1HG1 ILE 28 -7.852 -5.322 -7.628
204 2HG1 ILE 28 2HG1 ILE 28 -7.299 -5.119 -5.970
205 1HG2 ILE 28 1HG2 ILE 28 -6.489 -6.972 -9.001
206 2HG2 ILE 28 2HG2 ILE 28 -5.744 -8.359 -8.187
207 3HG2 ILE 28 3HG2 ILE 28 -7.466 -8.336 -8.498
208 1HD1 ILE 28 1HD1 ILE 28 -4.986 -4.876 -6.664
209 2HD1 ILE 28 2HD1 ILE 28 -5.405 -5.191 -8.359
210 3HD1 ILE 28 3HD1 ILE 28 -6.007 -3.731 -7.562
211 H ASN 29 H ASN 29 -6.359 -9.582 -5.460
212 HA ASN 29 HA ASN 29 -7.423 -11.646 -7.129
213 1HB ASN 29 1HB ASN 29 -5.086 -11.438 -6.095
214 2HB ASN 29 2HB ASN 29 -5.794 -12.035 -4.589
215 1HD2 ASN 29 1HD2 ASN 29 -5.242 -14.231 -4.376
216 2HD2 ASN 29 2HD2 ASN 29 -5.312 -15.334 -5.747
217 H MET 30 H MET 30 -8.306 -10.590 -3.905
218 HA MET 30 HA MET 30 -10.111 -12.820 -3.328
219 1HB MET 30 1HB MET 30 -9.320 -10.224 -1.978
220 2HB MET 30 2HB MET 30 -10.772 -11.053 -1.470
221 1HG MET 30 1HG MET 30 -9.200 -13.181 -1.386
222 2HG MET 30 2HG MET 30 -7.910 -11.979 -1.314
223 1HE MET 30 1HE MET 30 -11.213 -12.836 1.806
224 2HE MET 30 2HE MET 30 -11.599 -12.325 0.148
225 3HE MET 30 3HE MET 30 -10.756 -13.862 0.427
226 H LEU 31 H LEU 31 -10.457 -10.018 -5.243
227 HA LEU 31 HA LEU 31 -13.432 -10.282 -5.166
228 1HB LEU 31 1HB LEU 31 -13.555 -8.080 -4.943
229 2HB LEU 31 2HB LEU 31 -11.841 -8.029 -4.764
230 1HD1 LEU 31 1HD1 LEU 31 -14.606 -7.883 -6.992
231 2HD1 LEU 31 2HD1 LEU 31 -14.212 -6.191 -7.313
232 3HD1 LEU 31 3HD1 LEU 31 -13.751 -7.454 -8.471
233 1HD2 LEU 31 1HD2 LEU 31 -12.636 -5.400 -5.930
234 2HD2 LEU 31 2HD2 LEU 31 -11.052 -6.164 -5.693
235 3HD2 LEU 31 3HD2 LEU 31 -11.530 -5.601 -7.297
236 1HG LEU 31 1HG LEU 31 -11.812 -7.910 -7.399
237 H THR 32 H THR 32 -10.878 -11.417 -6.817
238 HA THR 32 HA THR 32 -10.525 -12.319 -8.894
239 HB THR 32 HB THR 32 -13.535 -12.062 -9.302
240 HG1 THR 32 HG1 THR 32 -11.987 -14.118 -8.120
241 1HG2 THR 32 1HG2 THR 32 -11.618 -14.148 -10.428
242 2HG2 THR 32 2HG2 THR 32 -13.390 -14.125 -10.583
243 3HG2 THR 32 3HG2 THR 32 -12.439 -12.892 -11.379
244 H ARG 33 H ARG 33 -10.429 -9.380 -8.438
245 HA ARG 33 HA ARG 33 -11.691 -7.734 -10.172
246 1HB ARG 33 1HB ARG 33 -9.879 -7.185 -8.396
247 2HB ARG 33 2HB ARG 33 -8.753 -7.256 -9.741
248 1HG ARG 33 1HG ARG 33 -11.127 -5.569 -10.280
249 2HG ARG 33 2HG ARG 33 -10.118 -5.015 -8.939
250 1HD ARG 33 1HD ARG 33 -8.170 -4.872 -10.269
251 2HD ARG 33 2HD ARG 33 -8.939 -5.696 -11.641
252 HE ARG 33 HNE ARG 33 -10.582 -3.578 -11.357
253 1HH1 ARG 33 2HH2 ARG 33 -7.084 -3.570 -11.435
254 2HH1 ARG 33 1HH2 ARG 33 -6.988 -1.959 -12.089
255 1HH2 ARG 33 2HH1 ARG 33 -10.437 -1.567 -12.295
256 2HH2 ARG 33 1HH1 ARG 33 -8.873 -0.852 -12.556
257 HA PRO 34 HA PRO 34 -10.113 -9.600 -13.984
258 1HB PRO 34 1HB PRO 34 -12.204 -8.975 -15.662
259 2HB PRO 34 2HB PRO 34 -12.199 -10.326 -14.501
260 1HG PRO 34 1HG PRO 34 -13.601 -7.694 -14.284
261 2HG PRO 34 2HG PRO 34 -14.048 -9.289 -13.606
262 1HD PRO 34 1HD PRO 34 -12.774 -7.142 -12.239
263 2HD PRO 34 2HD PRO 34 -12.978 -8.812 -11.651
264 H ARG 35 H ARG 35 -8.575 -7.892 -13.472
265 HA ARG 35 HA ARG 35 -8.586 -5.297 -14.623
266 1HB ARG 35 1HB ARG 35 -6.236 -5.236 -14.169
267 2HB ARG 35 2HB ARG 35 -7.019 -6.091 -12.861
268 1HG ARG 35 1HG ARG 35 -5.294 -7.527 -13.105
269 2HG ARG 35 2HG ARG 35 -6.328 -8.263 -14.305
270 1HD ARG 35 1HD ARG 35 -4.826 -7.842 -15.944
271 2HD ARG 35 2HD ARG 35 -4.818 -6.126 -15.600
272 HE ARG 35 HNE ARG 35 -2.829 -8.065 -14.878
273 1HH1 ARG 35 2HH2 ARG 35 -4.154 -5.034 -13.773
274 2HH1 ARG 35 1HH2 ARG 35 -2.781 -4.653 -12.759
275 1HH2 ARG 35 2HH1 ARG 35 -1.141 -7.620 -13.480
276 2HH2 ARG 35 1HH1 ARG 35 -1.130 -6.150 -12.566
277 H TYR 36 H TYR 36 -8.885 -4.850 -16.691
278 HA TYR 36 HA TYR 36 -8.748 -4.871 -18.965
279 1HB TYR 36 1HB TYR 36 -6.043 -5.874 -18.108
280 2HB TYR 36 2HB TYR 36 -6.449 -6.063 -19.782
281 HD1 TYR 36 HD1 TYR 36 -6.645 -4.183 -21.271
282 HD2 TYR 36 HD2 TYR 36 -5.880 -3.590 -17.069
283 HE1 TYR 36 HE1 TYR 36 -5.909 -1.865 -21.746
284 HE2 TYR 36 HE2 TYR 36 -5.147 -1.242 -17.548
285 HH TYR 36 HH TYR 36 -4.746 -0.039 -20.841
286 1HN NH2 37 1HN NH2 37 -8.380 -6.455 -21.047
287 2HN NH2 37 2HN NH2 37 -9.192 -7.998 -20.735
Start of MODEL 5
1 1H ALA 1 1H ALA 1 0.072 13.974 17.087
2 2H ALA 1 2H ALA 1 -0.909 14.206 15.787
3 3H ALA 1 3H ALA 1 -1.064 12.841 16.694
4 HA ALA 1 HA ALA 1 0.228 12.931 14.434
5 1HB ALA 1 1HB ALA 1 2.024 14.256 16.286
6 2HB ALA 1 2HB ALA 1 2.749 12.745 15.701
7 3HB ALA 1 3HB ALA 1 2.190 13.954 14.545
8 HA PRO 2 HA PRO 2 1.557 8.880 16.371
9 1HB PRO 2 1HB PRO 2 1.523 8.434 19.100
10 2HB PRO 2 2HB PRO 2 2.926 9.047 18.190
11 1HG PRO 2 1HG PRO 2 1.049 10.553 19.967
12 2HG PRO 2 2HG PRO 2 2.767 10.870 19.597
13 1HD PRO 2 1HD PRO 2 0.516 12.164 18.478
14 2HD PRO 2 2HD PRO 2 2.199 12.268 17.891
15 H LEU 3 H LEU 3 -0.908 10.245 18.602
16 HA LEU 3 HA LEU 3 -2.694 7.923 18.199
17 1HB LEU 3 1HB LEU 3 -2.801 10.392 19.994
18 2HB LEU 3 2HB LEU 3 -4.168 9.314 19.748
19 1HD1 LEU 3 1HD1 LEU 3 -0.469 8.203 20.396
20 2HD1 LEU 3 2HD1 LEU 3 -0.881 9.691 21.288
21 3HD1 LEU 3 3HD1 LEU 3 -0.837 8.124 22.118
22 1HD2 LEU 3 1HD2 LEU 3 -3.180 7.765 22.813
23 2HD2 LEU 3 2HD2 LEU 3 -3.134 9.531 22.614
24 3HD2 LEU 3 3HD2 LEU 3 -4.454 8.576 21.901
25 1HG LEU 3 1HG LEU 3 -2.705 7.378 20.510
26 H GLU 4 H GLU 4 -4.028 7.918 16.569
27 HA GLU 4 HA GLU 4 -5.303 8.475 14.790
28 1HB GLU 4 1HB GLU 4 -6.224 10.264 16.928
29 2HB GLU 4 2HB GLU 4 -6.605 10.841 15.305
30 1HG GLU 4 1HG GLU 4 -7.713 8.733 14.751
31 2HG GLU 4 2HG GLU 4 -7.259 8.053 16.313
32 HA PRO 5 HA PRO 5 -2.238 11.271 12.897
33 1HB PRO 5 1HB PRO 5 -1.791 9.809 10.600
34 2HB PRO 5 2HB PRO 5 -0.949 9.567 12.152
35 1HG PRO 5 1HG PRO 5 -3.144 7.929 10.943
36 2HG PRO 5 2HG PRO 5 -1.804 7.424 12.013
37 1HD PRO 5 1HD PRO 5 -4.479 7.929 12.773
38 2HD PRO 5 2HD PRO 5 -3.089 7.767 13.884
39 H GLU 6 H GLU 6 -4.144 12.628 12.916
40 HA GLU 6 HA GLU 6 -6.026 12.681 10.786
41 1HB GLU 6 1HB GLU 6 -6.222 13.820 13.059
42 2HB GLU 6 2HB GLU 6 -5.195 15.110 12.411
43 1HG GLU 6 1HG GLU 6 -6.840 15.376 10.502
44 2HG GLU 6 2HG GLU 6 -7.846 14.131 11.242
45 H TYR 7 H TYR 7 -5.385 12.759 8.742
46 HA TYR 7 HA TYR 7 -4.012 15.145 7.715
47 1HB TYR 7 1HB TYR 7 -2.602 12.653 8.192
48 2HB TYR 7 2HB TYR 7 -2.638 12.967 6.475
49 HD1 TYR 7 HD1 TYR 7 -0.997 13.760 9.544
50 HD2 TYR 7 HD2 TYR 7 -1.988 15.353 5.666
51 HE1 TYR 7 HE1 TYR 7 0.887 15.396 9.730
52 HE2 TYR 7 HE2 TYR 7 -0.134 17.012 5.872
53 HH TYR 7 HH TYR 7 1.262 18.063 7.565
54 HA PRO 8 HA PRO 8 -7.211 13.629 4.769
55 1HB PRO 8 1HB PRO 8 -8.353 16.037 4.157
56 2HB PRO 8 2HB PRO 8 -8.801 15.052 5.575
57 1HG PRO 8 1HG PRO 8 -7.101 17.523 5.475
58 2HG PRO 8 2HG PRO 8 -8.199 16.949 6.766
59 1HD PRO 8 1HD PRO 8 -5.376 16.657 6.673
60 2HD PRO 8 2HD PRO 8 -6.482 15.807 7.791
61 H GLY 9 H GLY 9 -5.240 13.092 3.766
62 1HA GLY 9 1HA GLY 9 -4.767 14.610 1.268
63 2HA GLY 9 2HA GLY 9 -3.373 14.122 2.258
64 H ASP 10 H ASP 10 -3.148 13.118 -0.067
65 HA ASP 10 HA ASP 10 -3.341 10.291 0.156
66 1HB ASP 10 1HB ASP 10 -4.604 10.049 -2.037
67 2HB ASP 10 2HB ASP 10 -5.559 10.458 -0.629
68 H ASN 11 H ASN 11 -2.402 9.398 -1.956
69 HA ASN 11 HA ASN 11 -0.616 9.183 -3.315
70 1HB ASN 11 1HB ASN 11 -2.313 10.712 -4.528
71 2HB ASN 11 2HB ASN 11 -1.160 12.012 -4.229
72 1HD2 ASN 11 1HD2 ASN 11 0.138 12.334 -6.059
73 2HD2 ASN 11 2HD2 ASN 11 0.625 10.988 -7.095
74 H ALA 12 H ALA 12 1.045 8.955 -1.817
75 HA ALA 12 HA ALA 12 2.967 11.186 -1.713
76 1HB ALA 12 1HB ALA 12 2.471 11.625 0.431
77 2HB ALA 12 2HB ALA 12 1.381 10.240 0.571
78 3HB ALA 12 3HB ALA 12 3.110 10.029 0.864
79 H THR 13 H THR 13 4.980 10.198 -0.430
80 HA THR 13 HA THR 13 6.310 8.393 -2.092
81 HB THR 13 HB THR 13 7.883 8.172 -0.134
82 HG1 THR 13 HG1 THR 13 7.370 9.272 1.731
83 1HG2 THR 13 1HG2 THR 13 7.933 10.171 -1.715
84 2HG2 THR 13 2HG2 THR 13 6.969 11.058 -0.515
85 3HG2 THR 13 3HG2 THR 13 8.590 10.475 -0.096
86 HA PRO 14 HA PRO 14 4.741 4.431 -0.862
87 1HB PRO 14 1HB PRO 14 6.773 2.730 -1.600
88 2HB PRO 14 2HB PRO 14 5.730 3.608 -2.741
89 1HG PRO 14 1HG PRO 14 8.548 4.245 -1.921
90 2HG PRO 14 2HG PRO 14 7.751 4.445 -3.510
91 1HD PRO 14 1HD PRO 14 8.154 6.460 -1.586
92 2HD PRO 14 2HD PRO 14 7.018 6.543 -2.962
93 H GLU 15 H GLU 15 5.227 5.737 1.303
94 HA GLU 15 HA GLU 15 6.917 4.171 3.195
95 1HB GLU 15 1HB GLU 15 5.533 6.882 3.245
96 2HB GLU 15 2HB GLU 15 6.010 6.110 4.755
97 1HG GLU 15 1HG GLU 15 7.966 6.640 2.496
98 2HG GLU 15 2HG GLU 15 7.679 7.740 3.846
99 H GLN 16 H GLN 16 4.060 5.666 4.505
100 HA GLN 16 HA GLN 16 3.242 3.184 5.601
101 1HB GLN 16 1HB GLN 16 2.794 5.626 6.432
102 2HB GLN 16 2HB GLN 16 1.400 5.590 5.345
103 1HG GLN 16 1HG GLN 16 0.682 4.932 7.576
104 2HG GLN 16 2HG GLN 16 0.583 3.521 6.524
105 1HE2 GLN 16 1HE2 GLN 16 1.410 1.625 7.487
106 2HE2 GLN 16 2HE2 GLN 16 2.651 1.707 8.742
107 H MET 17 H MET 17 2.094 4.934 2.756
108 HA MET 17 HA MET 17 -0.181 3.339 2.153
109 1HB MET 17 1HB MET 17 1.270 5.459 0.882
110 2HB MET 17 2HB MET 17 1.181 4.148 -0.291
111 1HG MET 17 1HG MET 17 -1.152 5.362 1.230
112 2HG MET 17 2HG MET 17 -0.730 5.719 -0.437
113 1HE MET 17 1HE MET 17 -2.432 3.195 -2.518
114 2HE MET 17 2HE MET 17 -1.491 4.690 -2.353
115 3HE MET 17 3HE MET 17 -0.672 3.113 -2.280
116 H ALA 18 H ALA 18 3.244 2.475 1.937
117 HA ALA 18 HA ALA 18 3.110 0.458 -0.040
118 1HB ALA 18 1HB ALA 18 5.160 1.430 1.092
119 2HB ALA 18 2HB ALA 18 4.781 0.422 2.503
120 3HB ALA 18 3HB ALA 18 5.155 -0.335 0.943
121 H GLN 19 H GLN 19 1.963 0.483 3.303
122 HA GLN 19 HA GLN 19 1.452 -2.369 3.520
123 1HB GLN 19 1HB GLN 19 1.177 0.034 5.175
124 2HB GLN 19 2HB GLN 19 -0.285 -0.920 5.273
125 1HG GLN 19 1HG GLN 19 2.299 -2.436 5.528
126 2HG GLN 19 2HG GLN 19 1.937 -1.281 6.801
127 1HE2 GLN 19 1HE2 GLN 19 1.002 -2.309 8.543
128 2HE2 GLN 19 2HE2 GLN 19 -0.220 -3.575 8.348
129 H TYR 20 H TYR 20 -0.867 0.367 3.205
130 HA TYR 20 HA TYR 20 -3.129 -1.180 2.534
131 1HB TYR 20 1HB TYR 20 -2.316 1.673 2.371
132 2HB TYR 20 2HB TYR 20 -3.506 1.207 1.182
133 HD1 TYR 20 HD1 TYR 20 -5.689 1.627 1.721
134 HD2 TYR 20 HD2 TYR 20 -2.959 0.519 4.879
135 HE1 TYR 20 HE1 TYR 20 -7.495 1.940 3.391
136 HE2 TYR 20 HE2 TYR 20 -4.780 0.836 6.550
137 HH TYR 20 HH TYR 20 -7.914 2.213 5.671
138 H ALA 21 H ALA 21 -0.696 0.231 0.283
139 HA ALA 21 HA ALA 21 -1.922 -0.600 -2.151
140 1HB ALA 21 1HB ALA 21 -0.115 0.972 -2.195
141 2HB ALA 21 2HB ALA 21 0.967 -0.121 -1.311
142 3HB ALA 21 3HB ALA 21 0.499 -0.497 -2.978
143 H ALA 22 H ALA 22 0.479 -2.323 -0.049
144 HA ALA 22 HA ALA 22 0.503 -4.708 -1.651
145 1HB ALA 22 1HB ALA 22 1.602 -5.701 0.318
146 2HB ALA 22 2HB ALA 22 2.298 -4.113 -0.067
147 3HB ALA 22 3HB ALA 22 1.169 -4.282 1.293
148 H GLU 23 H GLU 23 -1.641 -3.586 0.963
149 HA GLU 23 HA GLU 23 -3.109 -6.025 1.278
150 1HB GLU 23 1HB GLU 23 -3.047 -3.866 2.741
151 2HB GLU 23 2HB GLU 23 -4.338 -3.291 1.691
152 1HG GLU 23 1HG GLU 23 -4.337 -5.890 3.286
153 2HG GLU 23 2HG GLU 23 -5.134 -4.401 3.782
154 H LEU 24 H LEU 24 -3.778 -3.121 -0.756
155 HA LEU 24 HA LEU 24 -6.119 -4.007 -1.987
156 1HB LEU 24 1HB LEU 24 -5.176 -1.724 -2.270
157 2HB LEU 24 2HB LEU 24 -3.875 -2.399 -3.248
158 1HD1 LEU 24 1HD1 LEU 24 -7.886 -2.106 -4.740
159 2HD1 LEU 24 2HD1 LEU 24 -7.600 -2.462 -3.030
160 3HD1 LEU 24 3HD1 LEU 24 -7.219 -0.853 -3.664
161 1HD2 LEU 24 1HD2 LEU 24 -4.102 -1.640 -5.339
162 2HD2 LEU 24 2HD2 LEU 24 -5.593 -1.717 -6.272
163 3HD2 LEU 24 3HD2 LEU 24 -5.370 -0.430 -5.060
164 1HG LEU 24 1HG LEU 24 -5.900 -3.362 -4.716
165 H ARG 25 H ARG 25 -2.765 -4.694 -3.087
166 HA ARG 25 HA ARG 25 -3.294 -6.298 -5.343
167 1HB ARG 25 1HB ARG 25 -1.064 -5.804 -4.840
168 2HB ARG 25 2HB ARG 25 -1.157 -6.433 -3.205
169 1HG ARG 25 1HG ARG 25 -1.544 -8.339 -5.532
170 2HG ARG 25 2HG ARG 25 0.068 -7.767 -5.126
171 1HD ARG 25 1HD ARG 25 -0.279 -8.555 -2.745
172 2HD ARG 25 2HD ARG 25 -1.809 -9.260 -3.238
173 HE ARG 25 HNE ARG 25 -0.747 -11.016 -4.213
174 1HH1 ARG 25 2HH2 ARG 25 1.647 -8.547 -3.693
175 2HH1 ARG 25 1HH2 ARG 25 3.009 -9.563 -4.091
176 1HH2 ARG 25 2HH1 ARG 25 0.974 -12.328 -4.782
177 2HH2 ARG 25 1HH1 ARG 25 2.593 -11.695 -4.743
178 H ARG 26 H ARG 26 -3.748 -7.191 -1.966
179 HA ARG 26 HA ARG 26 -4.334 -10.019 -2.577
180 1HB ARG 26 1HB ARG 26 -5.032 -8.764 0.083
181 2HB ARG 26 2HB ARG 26 -4.440 -10.381 -0.300
182 1HG ARG 26 1HG ARG 26 -2.230 -9.044 -0.994
183 2HG ARG 26 2HG ARG 26 -2.948 -7.789 -0.002
184 1HD ARG 26 1HD ARG 26 -2.214 -8.716 1.863
185 2HD ARG 26 2HD ARG 26 -3.016 -10.242 1.503
186 HE ARG 26 HNE ARG 26 -0.206 -9.566 1.119
187 1HH1 ARG 26 2HH2 ARG 26 -2.702 -11.665 -0.062
188 2HH1 ARG 26 1HH2 ARG 26 -1.601 -12.860 -0.710
189 1HH2 ARG 26 2HH1 ARG 26 1.236 -11.110 0.283
190 2HH2 ARG 26 1HH1 ARG 26 0.621 -12.502 -0.537
191 H TYR 27 H TYR 27 -6.073 -7.125 -1.489
192 HA TYR 27 HA TYR 27 -8.697 -8.034 -1.461
193 1HB TYR 27 1HB TYR 27 -7.548 -5.698 -0.939
194 2HB TYR 27 2HB TYR 27 -8.090 -5.305 -2.565
195 HD1 TYR 27 HD1 TYR 27 -9.232 -6.726 0.702
196 HD2 TYR 27 HD2 TYR 27 -10.339 -4.515 -2.833
197 HE1 TYR 27 HE1 TYR 27 -11.490 -6.297 1.677
198 HE2 TYR 27 HE2 TYR 27 -12.581 -4.053 -1.841
199 HH TYR 27 HH TYR 27 -14.106 -5.266 -0.067
200 H ILE 28 H ILE 28 -6.841 -6.958 -4.305
201 HA ILE 28 HA ILE 28 -8.891 -7.186 -6.280
202 HB ILE 28 HB ILE 28 -5.884 -7.509 -6.432
203 1HG1 ILE 28 1HG1 ILE 28 -7.644 -5.200 -7.380
204 2HG1 ILE 28 2HG1 ILE 28 -6.911 -5.256 -5.795
205 1HG2 ILE 28 1HG2 ILE 28 -6.941 -6.797 -9.026
206 2HG2 ILE 28 2HG2 ILE 28 -5.963 -8.193 -8.557
207 3HG2 ILE 28 3HG2 ILE 28 -7.722 -8.281 -8.523
208 1HD1 ILE 28 1HD1 ILE 28 -4.638 -5.533 -6.938
209 2HD1 ILE 28 2HD1 ILE 28 -5.460 -5.116 -8.455
210 3HD1 ILE 28 3HD1 ILE 28 -5.430 -3.959 -7.115
211 H ASN 29 H ASN 29 -6.460 -9.679 -5.292
212 HA ASN 29 HA ASN 29 -7.568 -11.766 -6.923
213 1HB ASN 29 1HB ASN 29 -5.250 -11.616 -5.765
214 2HB ASN 29 2HB ASN 29 -6.066 -12.174 -4.306
215 1HD2 ASN 29 1HD2 ASN 29 -4.844 -13.101 -7.499
216 2HD2 ASN 29 2HD2 ASN 29 -5.249 -14.805 -7.284
217 H MET 30 H MET 30 -8.310 -10.626 -3.676
218 HA MET 30 HA MET 30 -10.278 -12.661 -3.012
219 1HB MET 30 1HB MET 30 -9.193 -10.114 -1.846
220 2HB MET 30 2HB MET 30 -10.759 -10.640 -1.271
221 1HG MET 30 1HG MET 30 -8.453 -12.599 -1.426
222 2HG MET 30 2HG MET 30 -8.581 -11.484 -0.068
223 1HE MET 30 1HE MET 30 -10.247 -11.887 2.052
224 2HE MET 30 2HE MET 30 -11.175 -11.017 0.816
225 3HE MET 30 3HE MET 30 -11.905 -12.398 1.655
226 H LEU 31 H LEU 31 -10.499 -9.833 -4.965
227 HA LEU 31 HA LEU 31 -13.482 -9.896 -4.842
228 1HB LEU 31 1HB LEU 31 -12.380 -7.810 -4.267
229 2HB LEU 31 2HB LEU 31 -11.542 -7.741 -5.806
230 1HD1 LEU 31 1HD1 LEU 31 -13.846 -6.094 -4.113
231 2HD1 LEU 31 2HD1 LEU 31 -13.128 -5.231 -5.487
232 3HD1 LEU 31 3HD1 LEU 31 -14.873 -5.572 -5.456
233 1HD2 LEU 31 1HD2 LEU 31 -14.454 -7.205 -7.917
234 2HD2 LEU 31 2HD2 LEU 31 -13.205 -5.979 -7.597
235 3HD2 LEU 31 3HD2 LEU 31 -12.765 -7.671 -7.824
236 1HG LEU 31 1HG LEU 31 -14.563 -7.899 -5.759
237 H THR 32 H THR 32 -10.935 -11.163 -6.598
238 HA THR 32 HA THR 32 -10.666 -12.085 -8.672
239 HB THR 32 HB THR 32 -13.699 -12.111 -8.878
240 HG1 THR 32 HG1 THR 32 -11.920 -13.860 -7.542
241 1HG2 THR 32 1HG2 THR 32 -12.405 -13.027 -10.924
242 2HG2 THR 32 2HG2 THR 32 -11.789 -14.281 -9.839
243 3HG2 THR 32 3HG2 THR 32 -13.533 -14.112 -10.130
244 H ARG 33 H ARG 33 -10.814 -9.153 -8.341
245 HA ARG 33 HA ARG 33 -12.315 -7.724 -10.177
246 1HB ARG 33 1HB ARG 33 -11.087 -6.465 -8.617
247 2HB ARG 33 2HB ARG 33 -9.559 -7.169 -9.096
248 1HG ARG 33 1HG ARG 33 -9.232 -5.725 -10.781
249 2HG ARG 33 2HG ARG 33 -10.907 -5.772 -11.334
250 1HD ARG 33 1HD ARG 33 -11.614 -4.054 -9.954
251 2HD ARG 33 2HD ARG 33 -10.302 -4.296 -8.794
252 HE ARG 33 HNE ARG 33 -9.043 -2.808 -9.931
253 1HH1 ARG 33 2HH2 ARG 33 -11.160 -4.132 -12.410
254 2HH1 ARG 33 1HH2 ARG 33 -10.454 -3.139 -13.648
255 1HH2 ARG 33 2HH1 ARG 33 -8.121 -1.676 -11.550
256 2HH2 ARG 33 1HH1 ARG 33 -8.609 -1.923 -13.174
257 HA PRO 34 HA PRO 34 -10.470 -9.602 -13.830
258 1HB PRO 34 1HB PRO 34 -12.539 -9.126 -15.600
259 2HB PRO 34 2HB PRO 34 -12.479 -10.507 -14.466
260 1HG PRO 34 1HG PRO 34 -14.131 -8.025 -14.301
261 2HG PRO 34 2HG PRO 34 -14.436 -9.650 -13.615
262 1HD PRO 34 1HD PRO 34 -13.392 -7.350 -12.268
263 2HD PRO 34 2HD PRO 34 -13.534 -9.004 -11.622
264 H ARG 35 H ARG 35 -9.429 -8.723 -15.485
265 HA ARG 35 HA ARG 35 -8.318 -7.230 -16.790
266 1HB ARG 35 1HB ARG 35 -10.724 -5.400 -16.384
267 2HB ARG 35 2HB ARG 35 -9.457 -5.132 -17.555
268 1HG ARG 35 1HG ARG 35 -10.141 -6.885 -18.946
269 2HG ARG 35 2HG ARG 35 -10.926 -7.776 -17.646
270 1HD ARG 35 1HD ARG 35 -12.612 -5.823 -17.526
271 2HD ARG 35 2HD ARG 35 -11.996 -5.356 -19.111
272 HE ARG 35 HNE ARG 35 -13.688 -7.636 -18.401
273 1HH1 ARG 35 2HH2 ARG 35 -11.550 -6.490 -20.920
274 2HH1 ARG 35 1HH2 ARG 35 -12.235 -7.534 -22.141
275 1HH2 ARG 35 2HH1 ARG 35 -14.470 -9.042 -19.951
276 2HH2 ARG 35 1HH1 ARG 35 -13.915 -8.906 -21.599
277 H TYR 36 H TYR 36 -7.209 -5.179 -16.791
278 HA TYR 36 HA TYR 36 -6.499 -4.248 -14.047
279 1HB TYR 36 1HB TYR 36 -4.738 -5.311 -15.391
280 2HB TYR 36 2HB TYR 36 -4.966 -4.137 -16.674
281 HD1 TYR 36 HD1 TYR 36 -3.136 -4.927 -13.715
282 HD2 TYR 36 HD2 TYR 36 -4.619 -1.592 -16.022
283 HE1 TYR 36 HE1 TYR 36 -1.460 -3.416 -12.642
284 HE2 TYR 36 HE2 TYR 36 -2.975 -0.103 -14.930
285 HH TYR 36 HH TYR 36 -0.567 -0.513 -13.806
286 1HN NH2 37 1HN NH2 37 -6.778 -2.744 -17.440
287 2HN NH2 37 2HN NH2 37 -7.489 -1.299 -16.746
Start of MODEL 6
1 1H ALA 1 1H ALA 1 -14.404 -2.367 8.533
2 2H ALA 1 2H ALA 1 -15.705 -2.787 7.602
3 3H ALA 1 3H ALA 1 -15.165 -1.244 7.577
4 HA ALA 1 HA ALA 1 -16.554 -2.602 9.761
5 1HB ALA 1 1HB ALA 1 -14.896 -1.498 10.986
6 2HB ALA 1 2HB ALA 1 -14.786 -0.141 9.841
7 3HB ALA 1 3HB ALA 1 -16.174 -0.273 10.928
8 HA PRO 2 HA PRO 2 -19.981 -0.500 7.928
9 1HB PRO 2 1HB PRO 2 -21.707 -0.145 10.046
10 2HB PRO 2 2HB PRO 2 -21.376 -1.727 9.285
11 1HG PRO 2 1HG PRO 2 -20.325 -0.610 11.871
12 2HG PRO 2 2HG PRO 2 -20.721 -2.302 11.447
13 1HD PRO 2 1HD PRO 2 -18.159 -1.156 11.487
14 2HD PRO 2 2HD PRO 2 -18.590 -2.672 10.646
15 H LEU 3 H LEU 3 -18.390 1.106 10.617
16 HA LEU 3 HA LEU 3 -19.645 3.633 10.543
17 1HB LEU 3 1HB LEU 3 -17.231 2.440 11.705
18 2HB LEU 3 2HB LEU 3 -16.875 4.032 11.090
19 1HD1 LEU 3 1HD1 LEU 3 -19.015 5.939 13.390
20 2HD1 LEU 3 2HD1 LEU 3 -18.101 6.017 11.874
21 3HD1 LEU 3 3HD1 LEU 3 -19.758 5.382 11.879
22 1HD2 LEU 3 1HD2 LEU 3 -20.316 3.413 13.036
23 2HD2 LEU 3 2HD2 LEU 3 -19.115 2.117 13.234
24 3HD2 LEU 3 3HD2 LEU 3 -19.281 3.367 14.476
25 1HG LEU 3 1HG LEU 3 -17.423 4.144 13.399
26 H GLU 4 H GLU 4 -20.105 4.391 8.598
27 HA GLU 4 HA GLU 4 -18.394 4.675 6.330
28 1HB GLU 4 1HB GLU 4 -21.105 5.411 7.163
29 2HB GLU 4 2HB GLU 4 -20.376 6.734 6.278
30 1HG GLU 4 1HG GLU 4 -20.216 3.925 5.150
31 2HG GLU 4 2HG GLU 4 -21.720 4.842 5.052
32 HA PRO 5 HA PRO 5 -17.207 9.045 7.747
33 1HB PRO 5 1HB PRO 5 -17.913 10.002 10.246
34 2HB PRO 5 2HB PRO 5 -18.884 10.222 8.766
35 1HG PRO 5 1HG PRO 5 -19.342 8.344 11.051
36 2HG PRO 5 2HG PRO 5 -20.525 9.129 9.962
37 1HD PRO 5 1HD PRO 5 -19.511 6.486 9.799
38 2HD PRO 5 2HD PRO 5 -20.503 7.319 8.573
39 H GLU 6 H GLU 6 -15.739 9.947 9.733
40 HA GLU 6 HA GLU 6 -13.679 9.636 10.674
41 1HB GLU 6 1HB GLU 6 -13.697 8.319 12.750
42 2HB GLU 6 2HB GLU 6 -15.026 9.456 12.583
43 1HG GLU 6 1HG GLU 6 -16.601 7.694 12.105
44 2HG GLU 6 2HG GLU 6 -15.306 6.483 12.007
45 H TYR 7 H TYR 7 -13.892 8.236 8.248
46 HA TYR 7 HA TYR 7 -12.597 5.664 8.658
47 1HB TYR 7 1HB TYR 7 -14.542 6.581 6.936
48 2HB TYR 7 2HB TYR 7 -13.137 6.660 5.895
49 HD1 TYR 7 HD1 TYR 7 -14.387 4.282 8.553
50 HD2 TYR 7 HD2 TYR 7 -13.162 4.785 4.452
51 HE1 TYR 7 HE1 TYR 7 -14.552 1.837 8.217
52 HE2 TYR 7 HE2 TYR 7 -13.388 2.303 4.099
53 HH TYR 7 HH TYR 7 -13.361 0.157 6.583
54 HA PRO 8 HA PRO 8 -8.541 7.070 7.474
55 1HB PRO 8 1HB PRO 8 -7.434 4.780 6.391
56 2HB PRO 8 2HB PRO 8 -7.629 5.092 8.140
57 1HG PRO 8 1HG PRO 8 -9.236 3.294 6.374
58 2HG PRO 8 2HG PRO 8 -8.914 3.175 8.131
59 1HD PRO 8 1HD PRO 8 -11.238 4.161 6.862
60 2HD PRO 8 2HD PRO 8 -10.849 4.306 8.599
61 H GLY 9 H GLY 9 -7.645 8.033 5.784
62 1HA GLY 9 1HA GLY 9 -8.822 7.740 3.054
63 2HA GLY 9 2HA GLY 9 -8.073 9.197 3.713
64 H ASP 10 H ASP 10 -6.977 8.909 1.531
65 HA ASP 10 HA ASP 10 -4.547 7.180 1.721
66 1HB ASP 10 1HB ASP 10 -5.998 8.024 -0.806
67 2HB ASP 10 2HB ASP 10 -4.616 6.935 -0.664
68 H ASN 11 H ASN 11 -3.568 9.030 2.852
69 HA ASN 11 HA ASN 11 -2.053 10.686 1.002
70 1HB ASN 11 1HB ASN 11 -4.209 11.985 1.282
71 2HB ASN 11 2HB ASN 11 -3.856 12.111 3.007
72 1HD2 ASN 11 1HD2 ASN 11 -4.041 14.484 2.351
73 2HD2 ASN 11 2HD2 ASN 11 -2.567 15.226 1.708
74 H ALA 12 H ALA 12 -0.227 9.638 1.909
75 HA ALA 12 HA ALA 12 0.801 10.918 4.237
76 1HB ALA 12 1HB ALA 12 -0.703 8.864 5.071
77 2HB ALA 12 2HB ALA 12 0.708 7.920 4.569
78 3HB ALA 12 3HB ALA 12 0.874 9.207 5.788
79 H THR 13 H THR 13 2.984 9.569 4.804
80 HA THR 13 HA THR 13 4.784 9.951 2.715
81 HB THR 13 HB THR 13 6.317 8.540 4.162
82 HG1 THR 13 HG1 THR 13 4.899 7.110 5.103
83 1HG2 THR 13 1HG2 THR 13 5.904 11.008 4.614
84 2HG2 THR 13 2HG2 THR 13 4.688 10.507 5.817
85 3HG2 THR 13 3HG2 THR 13 6.383 10.040 6.028
86 HA PRO 14 HA PRO 14 4.330 6.436 0.127
87 1HB PRO 14 1HB PRO 14 6.854 6.123 -0.958
88 2HB PRO 14 2HB PRO 14 5.689 7.394 -1.416
89 1HG PRO 14 1HG PRO 14 8.112 7.616 0.331
90 2HG PRO 14 2HG PRO 14 7.382 8.832 -0.759
91 1HD PRO 14 1HD PRO 14 7.075 8.702 2.032
92 2HD PRO 14 2HD PRO 14 6.031 9.632 0.920
93 H GLU 15 H GLU 15 6.353 6.261 2.891
94 HA GLU 15 HA GLU 15 6.791 3.366 2.738
95 1HB GLU 15 1HB GLU 15 7.846 3.542 4.851
96 2HB GLU 15 2HB GLU 15 8.413 4.886 3.866
97 1HG GLU 15 1HG GLU 15 6.993 6.446 5.054
98 2HG GLU 15 2HG GLU 15 6.225 5.166 5.976
99 H GLN 16 H GLN 16 4.119 5.378 3.652
100 HA GLN 16 HA GLN 16 3.099 3.370 5.597
101 1HB GLN 16 1HB GLN 16 3.082 5.922 6.011
102 2HB GLN 16 2HB GLN 16 1.757 5.979 4.840
103 1HG GLN 16 1HG GLN 16 0.475 4.352 6.237
104 2HG GLN 16 2HG GLN 16 1.829 4.287 7.380
105 1HE2 GLN 16 1HE2 GLN 16 -0.674 4.964 8.442
106 2HE2 GLN 16 2HE2 GLN 16 -0.553 6.699 8.798
107 H MET 17 H MET 17 2.071 5.061 2.593
108 HA MET 17 HA MET 17 -0.261 3.479 2.140
109 1HB MET 17 1HB MET 17 0.810 5.700 0.980
110 2HB MET 17 2HB MET 17 1.234 4.506 -0.246
111 1HG MET 17 1HG MET 17 -1.568 4.866 0.905
112 2HG MET 17 2HG MET 17 -0.978 5.742 -0.501
113 1HE MET 17 1HE MET 17 -3.657 3.381 -1.941
114 2HE MET 17 2HE MET 17 -3.443 4.789 -0.883
115 3HE MET 17 3HE MET 17 -2.756 4.798 -2.527
116 H ALA 18 H ALA 18 3.134 2.744 1.611
117 HA ALA 18 HA ALA 18 3.024 0.651 -0.218
118 1HB ALA 18 1HB ALA 18 5.042 1.768 0.934
119 2HB ALA 18 2HB ALA 18 4.779 0.633 2.270
120 3HB ALA 18 3HB ALA 18 5.149 0.032 0.637
121 H GLN 19 H GLN 19 1.990 0.643 3.164
122 HA GLN 19 HA GLN 19 1.679 -2.248 3.403
123 1HB GLN 19 1HB GLN 19 1.479 0.118 5.110
124 2HB GLN 19 2HB GLN 19 0.052 -0.870 5.326
125 1HG GLN 19 1HG GLN 19 2.686 -2.329 5.332
126 2HG GLN 19 2HG GLN 19 2.404 -1.203 6.652
127 1HE2 GLN 19 1HE2 GLN 19 1.481 -2.138 8.460
128 2HE2 GLN 19 2HE2 GLN 19 0.310 -3.459 8.319
129 H TYR 20 H TYR 20 -0.718 0.442 3.156
130 HA TYR 20 HA TYR 20 -2.973 -1.226 2.712
131 1HB TYR 20 1HB TYR 20 -2.293 1.662 2.269
132 2HB TYR 20 2HB TYR 20 -3.644 1.040 1.346
133 HD1 TYR 20 HD1 TYR 20 -5.159 -0.738 2.991
134 HD2 TYR 20 HD2 TYR 20 -3.125 2.922 4.081
135 HE1 TYR 20 HE1 TYR 20 -6.785 -0.374 4.815
136 HE2 TYR 20 HE2 TYR 20 -4.783 3.294 5.890
137 HH TYR 20 HH TYR 20 -6.981 2.642 6.541
138 H ALA 21 H ALA 21 -0.708 0.191 0.305
139 HA ALA 21 HA ALA 21 -1.993 -0.801 -2.019
140 1HB ALA 21 1HB ALA 21 0.260 -0.498 -3.042
141 2HB ALA 21 2HB ALA 21 -0.231 0.891 -2.051
142 3HB ALA 21 3HB ALA 21 0.949 -0.271 -1.418
143 H ALA 22 H ALA 22 0.479 -2.376 0.100
144 HA ALA 22 HA ALA 22 0.523 -4.875 -1.327
145 1HB ALA 22 1HB ALA 22 1.532 -5.684 0.865
146 2HB ALA 22 2HB ALA 22 2.370 -4.324 0.089
147 3HB ALA 22 3HB ALA 22 1.316 -4.039 1.488
148 H GLU 23 H GLU 23 -1.894 -3.522 0.801
149 HA GLU 23 HA GLU 23 -3.185 -6.135 1.263
150 1HB GLU 23 1HB GLU 23 -3.258 -3.948 2.789
151 2HB GLU 23 2HB GLU 23 -4.603 -3.530 1.715
152 1HG GLU 23 1HG GLU 23 -5.551 -5.863 2.220
153 2HG GLU 23 2HG GLU 23 -4.265 -6.048 3.410
154 H LEU 24 H LEU 24 -3.675 -3.220 -0.783
155 HA LEU 24 HA LEU 24 -6.023 -4.022 -2.063
156 1HB LEU 24 1HB LEU 24 -4.017 -1.975 -2.461
157 2HB LEU 24 2HB LEU 24 -4.354 -2.692 -4.019
158 1HD1 LEU 24 1HD1 LEU 24 -6.719 -2.583 -4.993
159 2HD1 LEU 24 2HD1 LEU 24 -7.466 -3.273 -3.541
160 3HD1 LEU 24 3HD1 LEU 24 -7.965 -1.675 -4.111
161 1HD2 LEU 24 1HD2 LEU 24 -7.338 -0.521 -1.889
162 2HD2 LEU 24 2HD2 LEU 24 -7.059 -2.171 -1.298
163 3HD2 LEU 24 3HD2 LEU 24 -5.790 -0.941 -1.136
164 1HG LEU 24 1HG LEU 24 -5.742 -0.761 -3.651
165 H ARG 25 H ARG 25 -2.706 -4.857 -3.033
166 HA ARG 25 HA ARG 25 -3.226 -6.396 -5.355
167 1HB ARG 25 1HB ARG 25 -0.969 -5.986 -4.663
168 2HB ARG 25 2HB ARG 25 -1.204 -6.800 -3.105
169 1HG ARG 25 1HG ARG 25 -1.453 -8.977 -4.222
170 2HG ARG 25 2HG ARG 25 -1.441 -8.186 -5.807
171 1HD ARG 25 1HD ARG 25 0.947 -7.331 -4.949
172 2HD ARG 25 2HD ARG 25 0.798 -8.742 -3.880
173 HE ARG 25 HNE ARG 25 0.209 -9.215 -6.726
174 1HH1 ARG 25 2HH2 ARG 25 2.757 -9.358 -4.338
175 2HH1 ARG 25 1HH2 ARG 25 3.786 -10.356 -5.331
176 1HH2 ARG 25 2HH1 ARG 25 1.519 -10.491 -7.967
177 2HH2 ARG 25 1HH1 ARG 25 3.116 -10.892 -7.416
178 H ARG 26 H ARG 26 -3.685 -7.337 -1.993
179 HA ARG 26 HA ARG 26 -4.352 -10.136 -2.634
180 1HB ARG 26 1HB ARG 26 -5.012 -8.938 0.047
181 2HB ARG 26 2HB ARG 26 -4.387 -10.535 -0.367
182 1HG ARG 26 1HG ARG 26 -2.165 -9.268 -0.966
183 2HG ARG 26 2HG ARG 26 -2.938 -7.897 -0.158
184 1HD ARG 26 1HD ARG 26 -3.316 -9.804 1.732
185 2HD ARG 26 2HD ARG 26 -1.828 -10.415 0.974
186 HE ARG 26 HNE ARG 26 -1.409 -7.676 1.399
187 1HH1 ARG 26 2HH2 ARG 26 -1.994 -10.477 3.380
188 2HH1 ARG 26 1HH2 ARG 26 -1.265 -9.827 4.825
189 1HH2 ARG 26 2HH1 ARG 26 -0.610 -6.742 3.350
190 2HH2 ARG 26 1HH1 ARG 26 -0.519 -7.709 4.789
191 H TYR 27 H TYR 27 -6.011 -7.222 -1.486
192 HA TYR 27 HA TYR 27 -8.644 -8.114 -1.391
193 1HB TYR 27 1HB TYR 27 -7.503 -5.787 -0.837
194 2HB TYR 27 2HB TYR 27 -8.008 -5.371 -2.467
195 HD1 TYR 27 HD1 TYR 27 -10.065 -4.187 -2.543
196 HD2 TYR 27 HD2 TYR 27 -9.434 -7.128 0.556
197 HE1 TYR 27 HE1 TYR 27 -12.266 -3.607 -1.531
198 HE2 TYR 27 HE2 TYR 27 -11.658 -6.569 1.533
199 HH TYR 27 HH TYR 27 -13.418 -3.751 0.673
200 H ILE 28 H ILE 28 -6.889 -6.868 -4.246
201 HA ILE 28 HA ILE 28 -8.904 -7.079 -6.203
202 HB ILE 28 HB ILE 28 -5.891 -7.293 -6.226
203 1HG1 ILE 28 1HG1 ILE 28 -7.725 -5.277 -7.580
204 2HG1 ILE 28 2HG1 ILE 28 -7.232 -5.115 -5.896
205 1HG2 ILE 28 1HG2 ILE 28 -6.223 -7.077 -8.841
206 2HG2 ILE 28 2HG2 ILE 28 -6.181 -8.662 -8.067
207 3HG2 ILE 28 3HG2 ILE 28 -7.732 -7.934 -8.508
208 1HD1 ILE 28 1HD1 ILE 28 -5.755 -3.784 -7.250
209 2HD1 ILE 28 2HD1 ILE 28 -4.836 -5.139 -6.575
210 3HD1 ILE 28 3HD1 ILE 28 -5.337 -5.170 -8.275
211 H ASN 29 H ASN 29 -6.505 -9.646 -5.372
212 HA ASN 29 HA ASN 29 -7.665 -11.642 -7.055
213 1HB ASN 29 1HB ASN 29 -5.349 -11.547 -5.856
214 2HB ASN 29 2HB ASN 29 -6.190 -12.203 -4.453
215 1HD2 ASN 29 1HD2 ASN 29 -4.650 -12.960 -7.459
216 2HD2 ASN 29 2HD2 ASN 29 -5.174 -14.643 -7.462
217 H MET 30 H MET 30 -8.285 -10.734 -3.679
218 HA MET 30 HA MET 30 -10.358 -12.683 -3.152
219 1HB MET 30 1HB MET 30 -9.317 -10.167 -1.843
220 2HB MET 30 2HB MET 30 -10.829 -10.867 -1.287
221 1HG MET 30 1HG MET 30 -9.709 -13.024 -0.882
222 2HG MET 30 2HG MET 30 -8.188 -12.358 -1.484
223 1HE MET 30 1HE MET 30 -10.283 -11.187 2.481
224 2HE MET 30 2HE MET 30 -11.030 -10.922 0.894
225 3HE MET 30 3HE MET 30 -10.729 -12.581 1.464
226 H LEU 31 H LEU 31 -10.479 -9.879 -5.106
227 HA LEU 31 HA LEU 31 -13.446 -9.784 -4.885
228 1HB LEU 31 1HB LEU 31 -11.637 -7.688 -4.737
229 2HB LEU 31 2HB LEU 31 -11.998 -7.678 -6.435
230 1HD1 LEU 31 1HD1 LEU 31 -14.557 -6.180 -3.457
231 2HD1 LEU 31 2HD1 LEU 31 -13.176 -7.203 -3.028
232 3HD1 LEU 31 3HD1 LEU 31 -12.904 -5.667 -3.869
233 1HD2 LEU 31 1HD2 LEU 31 -15.045 -5.825 -6.009
234 2HD2 LEU 31 2HD2 LEU 31 -13.321 -5.434 -6.250
235 3HD2 LEU 31 3HD2 LEU 31 -14.086 -6.746 -7.182
236 1HG LEU 31 1HG LEU 31 -14.516 -7.961 -5.056
237 H THR 32 H THR 32 -11.175 -11.340 -6.649
238 HA THR 32 HA THR 32 -10.950 -12.183 -8.731
239 HB THR 32 HB THR 32 -13.982 -12.048 -8.800
240 HG1 THR 32 HG1 THR 32 -13.937 -13.855 -7.600
241 1HG2 THR 32 1HG2 THR 32 -13.581 -13.111 -10.795
242 2HG2 THR 32 2HG2 THR 32 -11.936 -13.604 -10.344
243 3HG2 THR 32 3HG2 THR 32 -13.334 -14.520 -9.755
244 H ARG 33 H ARG 33 -10.900 -9.253 -8.492
245 HA ARG 33 HA ARG 33 -11.623 -8.471 -11.289
246 1HB ARG 33 1HB ARG 33 -13.098 -7.564 -9.332
247 2HB ARG 33 2HB ARG 33 -11.753 -6.468 -9.035
248 1HG ARG 33 1HG ARG 33 -11.948 -6.121 -11.723
249 2HG ARG 33 2HG ARG 33 -13.577 -6.740 -11.422
250 1HD ARG 33 1HD ARG 33 -13.511 -4.886 -9.482
251 2HD ARG 33 2HD ARG 33 -12.268 -4.179 -10.533
252 HE ARG 33 HNE ARG 33 -14.370 -4.735 -12.249
253 1HH1 ARG 33 2HH2 ARG 33 -14.110 -2.839 -9.357
254 2HH1 ARG 33 1HH2 ARG 33 -15.332 -1.685 -9.833
255 1HH2 ARG 33 2HH1 ARG 33 -16.069 -3.336 -12.806
256 2HH2 ARG 33 1HH1 ARG 33 -16.530 -2.079 -11.725
257 HA PRO 34 HA PRO 34 -7.120 -7.830 -10.686
258 1HB PRO 34 1HB PRO 34 -6.365 -8.347 -13.294
259 2HB PRO 34 2HB PRO 34 -6.496 -9.549 -11.979
260 1HG PRO 34 1HG PRO 34 -8.371 -9.055 -14.251
261 2HG PRO 34 2HG PRO 34 -8.055 -10.565 -13.345
262 1HD PRO 34 1HD PRO 34 -10.245 -8.812 -13.009
263 2HD PRO 34 2HD PRO 34 -9.763 -10.110 -11.878
264 H ARG 35 H ARG 35 -5.842 -6.072 -11.173
265 HA ARG 35 HA ARG 35 -7.232 -3.747 -12.312
266 1HB ARG 35 1HB ARG 35 -5.232 -4.135 -10.320
267 2HB ARG 35 2HB ARG 35 -4.399 -3.301 -11.628
268 1HG ARG 35 1HG ARG 35 -5.955 -1.459 -11.576
269 2HG ARG 35 2HG ARG 35 -7.097 -2.370 -10.580
270 1HD ARG 35 1HD ARG 35 -6.224 -1.165 -8.886
271 2HD ARG 35 2HD ARG 35 -5.035 -2.454 -8.874
272 HE ARG 35 HNE ARG 35 -3.410 -0.978 -9.627
273 1HH1 ARG 35 2HH2 ARG 35 -6.511 0.569 -10.117
274 2HH1 ARG 35 1HH2 ARG 35 -5.807 2.120 -10.479
275 1HH2 ARG 35 2HH1 ARG 35 -2.538 1.050 -10.064
276 2HH2 ARG 35 1HH1 ARG 35 -3.600 2.378 -10.408
277 H TYR 36 H TYR 36 -7.001 -3.081 -14.326
278 HA TYR 36 HA TYR 36 -6.444 -3.009 -16.527
279 1HB TYR 36 1HB TYR 36 -4.769 -1.583 -15.743
280 2HB TYR 36 2HB TYR 36 -3.787 -2.889 -15.118
281 HD1 TYR 36 HD1 TYR 36 -2.124 -3.928 -16.385
282 HD2 TYR 36 HD2 TYR 36 -4.978 -1.345 -18.318
283 HE1 TYR 36 HE1 TYR 36 -0.759 -3.993 -18.470
284 HE2 TYR 36 HE2 TYR 36 -3.617 -1.410 -20.407
285 HH TYR 36 HH TYR 36 -1.241 -1.797 -21.012
286 1HN NH2 37 1HN NH2 37 -7.497 -5.120 -17.100
287 2HN NH2 37 2HN NH2 37 -6.351 -6.414 -17.466
Start of MODEL 7
1 1H ALA 1 1H ALA 1 -2.907 -5.186 13.122
2 2H ALA 1 2H ALA 1 -2.411 -5.179 11.551
3 3H ALA 1 3H ALA 1 -2.187 -3.846 12.498
4 HA ALA 1 HA ALA 1 -4.183 -4.079 10.792
5 1HB ALA 1 1HB ALA 1 -6.225 -4.676 12.036
6 2HB ALA 1 2HB ALA 1 -5.113 -6.053 11.919
7 3HB ALA 1 3HB ALA 1 -5.247 -5.146 13.441
8 HA PRO 2 HA PRO 2 -3.781 -0.088 12.947
9 1HB PRO 2 1HB PRO 2 -3.785 1.463 10.648
10 2HB PRO 2 2HB PRO 2 -2.333 0.738 11.388
11 1HG PRO 2 1HG PRO 2 -3.795 -0.113 8.929
12 2HG PRO 2 2HG PRO 2 -2.081 -0.348 9.376
13 1HD PRO 2 1HD PRO 2 -4.205 -2.242 9.573
14 2HD PRO 2 2HD PRO 2 -2.546 -2.421 10.215
15 H LEU 3 H LEU 3 -5.319 1.724 13.089
16 HA LEU 3 HA LEU 3 -7.945 1.271 11.817
17 1HB LEU 3 1HB LEU 3 -7.607 0.155 14.196
18 2HB LEU 3 2HB LEU 3 -7.806 1.779 14.800
19 1HD1 LEU 3 1HD1 LEU 3 -9.806 -0.746 15.156
20 2HD1 LEU 3 2HD1 LEU 3 -11.033 -0.647 13.863
21 3HD1 LEU 3 3HD1 LEU 3 -9.386 -1.162 13.476
22 1HD2 LEU 3 1HD2 LEU 3 -9.829 2.028 15.722
23 2HD2 LEU 3 2HD2 LEU 3 -10.563 2.816 14.322
24 3HD2 LEU 3 3HD2 LEU 3 -11.345 1.416 15.034
25 1HG LEU 3 1HG LEU 3 -9.904 1.188 12.821
26 H GLU 4 H GLU 4 -8.340 3.100 10.805
27 HA GLU 4 HA GLU 4 -8.172 5.707 12.190
28 1HB GLU 4 1HB GLU 4 -6.399 4.833 9.972
29 2HB GLU 4 2HB GLU 4 -7.138 6.407 9.739
30 1HG GLU 4 1HG GLU 4 -5.985 7.431 11.349
31 2HG GLU 4 2HG GLU 4 -6.091 6.108 12.490
32 HA PRO 5 HA PRO 5 -12.042 5.257 9.745
33 1HB PRO 5 1HB PRO 5 -13.774 5.983 11.772
34 2HB PRO 5 2HB PRO 5 -13.235 4.308 11.467
35 1HG PRO 5 1HG PRO 5 -12.381 6.190 13.628
36 2HG PRO 5 2HG PRO 5 -12.419 4.403 13.624
37 1HD PRO 5 1HD PRO 5 -10.164 6.095 13.197
38 2HD PRO 5 2HD PRO 5 -10.219 4.333 12.951
39 H GLU 6 H GLU 6 -12.885 6.958 8.660
40 HA GLU 6 HA GLU 6 -13.034 9.056 7.780
41 1HB GLU 6 1HB GLU 6 -13.849 9.438 10.629
42 2HB GLU 6 2HB GLU 6 -13.626 10.878 9.647
43 1HG GLU 6 1HG GLU 6 -15.239 8.643 8.438
44 2HG GLU 6 2HG GLU 6 -15.951 9.502 9.793
45 H TYR 7 H TYR 7 -11.012 9.190 6.939
46 HA TYR 7 HA TYR 7 -9.002 10.817 8.413
47 1HB TYR 7 1HB TYR 7 -7.300 9.600 7.235
48 2HB TYR 7 2HB TYR 7 -8.333 8.507 8.135
49 HD1 TYR 7 HD1 TYR 7 -6.930 9.281 4.907
50 HD2 TYR 7 HD2 TYR 7 -10.141 7.161 6.859
51 HE1 TYR 7 HE1 TYR 7 -7.394 8.067 2.799
52 HE2 TYR 7 HE2 TYR 7 -10.658 5.992 4.711
53 HH TYR 7 HH TYR 7 -8.913 6.708 1.698
54 HA PRO 8 HA PRO 8 -10.297 13.270 4.709
55 1HB PRO 8 1HB PRO 8 -10.675 15.710 5.941
56 2HB PRO 8 2HB PRO 8 -11.933 14.456 5.746
57 1HG PRO 8 1HG PRO 8 -10.367 15.173 8.198
58 2HG PRO 8 2HG PRO 8 -12.034 14.535 8.054
59 1HD PRO 8 1HD PRO 8 -9.727 13.040 8.698
60 2HD PRO 8 2HD PRO 8 -11.307 12.389 8.169
61 H GLY 9 H GLY 9 -8.474 13.437 3.620
62 1HA GLY 9 1HA GLY 9 -6.750 15.198 2.980
63 2HA GLY 9 2HA GLY 9 -6.165 15.061 4.638
64 H ASP 10 H ASP 10 -5.686 13.951 1.497
65 HA ASP 10 HA ASP 10 -4.441 11.382 2.341
66 1HB ASP 10 1HB ASP 10 -6.055 11.283 0.455
67 2HB ASP 10 2HB ASP 10 -5.040 12.400 -0.461
68 H ASN 11 H ASN 11 -2.563 12.059 3.255
69 HA ASN 11 HA ASN 11 -0.361 12.825 1.546
70 1HB ASN 11 1HB ASN 11 0.185 14.949 2.644
71 2HB ASN 11 2HB ASN 11 -1.320 15.052 1.743
72 1HD2 ASN 11 1HD2 ASN 11 -0.546 16.924 3.761
73 2HD2 ASN 11 2HD2 ASN 11 -1.724 16.674 5.073
74 H ALA 12 H ALA 12 0.217 10.729 2.493
75 HA ALA 12 HA ALA 12 1.576 11.138 5.107
76 1HB ALA 12 1HB ALA 12 0.620 8.393 4.437
77 2HB ALA 12 2HB ALA 12 0.807 9.222 6.000
78 3HB ALA 12 3HB ALA 12 -0.597 9.566 4.985
79 H THR 13 H THR 13 3.354 9.585 5.438
80 HA THR 13 HA THR 13 5.345 9.915 3.501
81 HB THR 13 HB THR 13 6.578 8.220 4.891
82 HG1 THR 13 HG1 THR 13 5.467 7.444 6.719
83 1HG2 THR 13 1HG2 THR 13 6.457 10.645 5.594
84 2HG2 THR 13 2HG2 THR 13 5.106 10.202 6.665
85 3HG2 THR 13 3HG2 THR 13 6.711 9.491 6.916
86 HA PRO 14 HA PRO 14 4.544 6.724 0.613
87 1HB PRO 14 1HB PRO 14 7.057 6.057 -0.333
88 2HB PRO 14 2HB PRO 14 6.152 7.533 -0.767
89 1HG PRO 14 1HG PRO 14 8.449 7.231 1.127
90 2HG PRO 14 2HG PRO 14 7.991 8.629 0.109
91 1HD PRO 14 1HD PRO 14 7.484 8.323 2.864
92 2HD PRO 14 2HD PRO 14 6.695 9.512 1.788
93 H GLU 15 H GLU 15 6.176 6.014 3.497
94 HA GLU 15 HA GLU 15 6.288 3.097 3.143
95 1HB GLU 15 1HB GLU 15 7.023 3.087 5.481
96 2HB GLU 15 2HB GLU 15 7.988 4.214 4.519
97 1HG GLU 15 1HG GLU 15 6.771 6.107 5.341
98 2HG GLU 15 2HG GLU 15 5.626 5.100 6.237
99 H GLN 16 H GLN 16 3.892 5.494 4.148
100 HA GLN 16 HA GLN 16 2.453 3.659 5.885
101 1HB GLN 16 1HB GLN 16 2.473 6.367 5.738
102 2HB GLN 16 2HB GLN 16 1.098 6.063 4.677
103 1HG GLN 16 1HG GLN 16 0.262 4.483 6.616
104 2HG GLN 16 2HG GLN 16 1.461 5.332 7.600
105 1HE2 GLN 16 1HE2 GLN 16 -1.576 5.707 5.718
106 2HE2 GLN 16 2HE2 GLN 16 -1.966 7.236 6.512
107 H MET 17 H MET 17 1.796 5.087 2.687
108 HA MET 17 HA MET 17 -0.429 3.388 2.041
109 1HB MET 17 1HB MET 17 0.904 5.632 0.887
110 2HB MET 17 2HB MET 17 0.997 4.364 -0.325
111 1HG MET 17 1HG MET 17 -1.657 4.826 1.041
112 2HG MET 17 2HG MET 17 -1.071 6.037 -0.082
113 1HE MET 17 1HE MET 17 -3.175 5.803 -1.643
114 2HE MET 17 2HE MET 17 -1.587 6.117 -2.379
115 3HE MET 17 3HE MET 17 -2.704 4.967 -3.144
116 H ALA 18 H ALA 18 3.047 2.847 1.831
117 HA ALA 18 HA ALA 18 3.184 0.788 -0.052
118 1HB ALA 18 1HB ALA 18 4.700 0.775 2.586
119 2HB ALA 18 2HB ALA 18 5.233 0.183 1.000
120 3HB ALA 18 3HB ALA 18 5.074 1.914 1.282
121 H GLN 19 H GLN 19 1.886 0.696 3.227
122 HA GLN 19 HA GLN 19 1.685 -2.201 3.376
123 1HB GLN 19 1HB GLN 19 1.607 -0.019 5.175
124 2HB GLN 19 2HB GLN 19 -0.029 -0.648 5.229
125 1HG GLN 19 1HG GLN 19 2.306 -2.581 5.413
126 2HG GLN 19 2HG GLN 19 1.912 -1.573 6.797
127 1HE2 GLN 19 1HE2 GLN 19 -0.104 -1.911 7.948
128 2HE2 GLN 19 2HE2 GLN 19 -1.053 -3.360 7.548
129 H TYR 20 H TYR 20 -0.864 0.339 3.286
130 HA TYR 20 HA TYR 20 -3.040 -1.302 2.646
131 1HB TYR 20 1HB TYR 20 -2.380 1.580 2.505
132 2HB TYR 20 2HB TYR 20 -3.523 1.096 1.277
133 HD1 TYR 20 HD1 TYR 20 -5.392 -0.698 2.256
134 HD2 TYR 20 HD2 TYR 20 -3.412 2.460 4.438
135 HE1 TYR 20 HE1 TYR 20 -7.359 -0.500 3.776
136 HE2 TYR 20 HE2 TYR 20 -5.386 2.662 5.935
137 HH TYR 20 HH TYR 20 -7.746 2.176 5.963
138 H ALA 21 H ALA 21 -0.649 0.109 0.367
139 HA ALA 21 HA ALA 21 -1.847 -0.759 -2.058
140 1HB ALA 21 1HB ALA 21 0.493 -0.532 -2.925
141 2HB ALA 21 2HB ALA 21 -0.036 0.867 -1.967
142 3HB ALA 21 3HB ALA 21 1.065 -0.333 -1.253
143 H ALA 22 H ALA 22 0.528 -2.434 0.092
144 HA ALA 22 HA ALA 22 0.675 -4.845 -1.454
145 1HB ALA 22 1HB ALA 22 2.316 -5.229 0.024
146 2HB ALA 22 2HB ALA 22 1.841 -3.812 0.974
147 3HB ALA 22 3HB ALA 22 1.134 -5.383 1.337
148 H GLU 23 H GLU 23 -1.626 -3.683 0.935
149 HA GLU 23 HA GLU 23 -3.070 -6.174 1.233
150 1HB GLU 23 1HB GLU 23 -3.003 -3.832 2.631
151 2HB GLU 23 2HB GLU 23 -4.510 -3.606 1.733
152 1HG GLU 23 1HG GLU 23 -5.376 -5.738 2.582
153 2HG GLU 23 2HG GLU 23 -3.830 -6.101 3.353
154 H LEU 24 H LEU 24 -3.511 -3.275 -0.840
155 HA LEU 24 HA LEU 24 -5.914 -4.044 -2.049
156 1HB LEU 24 1HB LEU 24 -3.950 -1.990 -2.468
157 2HB LEU 24 2HB LEU 24 -4.225 -2.735 -4.025
158 1HD1 LEU 24 1HD1 LEU 24 -7.261 -3.417 -3.691
159 2HD1 LEU 24 2HD1 LEU 24 -7.888 -1.832 -4.165
160 3HD1 LEU 24 3HD1 LEU 24 -6.584 -2.583 -5.100
161 1HD2 LEU 24 1HD2 LEU 24 -6.859 -2.246 -1.299
162 2HD2 LEU 24 2HD2 LEU 24 -5.825 -0.806 -1.283
163 3HD2 LEU 24 3HD2 LEU 24 -7.436 -0.733 -2.020
164 1HG LEU 24 1HG LEU 24 -5.671 -0.823 -3.718
165 H ARG 25 H ARG 25 -2.621 -4.863 -3.173
166 HA ARG 25 HA ARG 25 -3.260 -6.474 -5.402
167 1HB ARG 25 1HB ARG 25 -1.003 -6.041 -4.942
168 2HB ARG 25 2HB ARG 25 -1.083 -6.670 -3.304
169 1HG ARG 25 1HG ARG 25 -1.613 -8.590 -5.590
170 2HG ARG 25 2HG ARG 25 0.040 -8.040 -5.310
171 1HD ARG 25 1HD ARG 25 -0.065 -8.753 -2.965
172 2HD ARG 25 2HD ARG 25 -1.711 -9.356 -3.194
173 HE ARG 25 HNE ARG 25 -0.445 -10.752 -5.104
174 1HH1 ARG 25 2HH2 ARG 25 0.323 -10.325 -1.750
175 2HH1 ARG 25 1HH2 ARG 25 1.168 -11.848 -1.592
176 1HH2 ARG 25 2HH1 ARG 25 0.723 -12.703 -4.942
177 2HH2 ARG 25 1HH1 ARG 25 1.313 -13.181 -3.383
178 H ARG 26 H ARG 26 -3.664 -7.305 -2.016
179 HA ARG 26 HA ARG 26 -4.354 -10.123 -2.549
180 1HB ARG 26 1HB ARG 26 -4.968 -8.794 0.097
181 2HB ARG 26 2HB ARG 26 -4.423 -10.437 -0.263
182 1HG ARG 26 1HG ARG 26 -2.200 -9.305 -1.017
183 2HG ARG 26 2HG ARG 26 -2.849 -7.868 -0.207
184 1HD ARG 26 1HD ARG 26 -2.687 -8.810 1.914
185 2HD ARG 26 2HD ARG 26 -2.676 -10.466 1.259
186 HE ARG 26 HNE ARG 26 -0.413 -8.706 0.535
187 1HH1 ARG 26 2HH2 ARG 26 -1.538 -11.101 2.747
188 2HH1 ARG 26 1HH2 ARG 26 0.033 -11.755 3.135
189 1HH2 ARG 26 2HH1 ARG 26 1.690 -9.582 0.985
190 2HH2 ARG 26 1HH1 ARG 26 1.812 -10.947 2.052
191 H TYR 27 H TYR 27 -5.991 -7.156 -1.535
192 HA TYR 27 HA TYR 27 -8.633 -8.047 -1.394
193 1HB TYR 27 1HB TYR 27 -7.705 -5.773 -0.753
194 2HB TYR 27 2HB TYR 27 -7.721 -5.358 -2.463
195 HD1 TYR 27 HD1 TYR 27 -10.100 -6.969 -0.015
196 HD2 TYR 27 HD2 TYR 27 -9.527 -3.991 -3.090
197 HE1 TYR 27 HE1 TYR 27 -12.483 -6.280 0.195
198 HE2 TYR 27 HE2 TYR 27 -11.902 -3.304 -2.866
199 HH TYR 27 HH TYR 27 -14.045 -4.244 -2.085
200 H ILE 28 H ILE 28 -6.897 -6.842 -4.285
201 HA ILE 28 HA ILE 28 -8.947 -7.025 -6.202
202 HB ILE 28 HB ILE 28 -5.963 -7.511 -6.456
203 1HG1 ILE 28 1HG1 ILE 28 -7.605 -5.036 -7.229
204 2HG1 ILE 28 2HG1 ILE 28 -6.818 -5.190 -5.691
205 1HG2 ILE 28 1HG2 ILE 28 -7.633 -6.647 -8.799
206 2HG2 ILE 28 2HG2 ILE 28 -6.047 -7.414 -8.787
207 3HG2 ILE 28 3HG2 ILE 28 -7.476 -8.383 -8.471
208 1HD1 ILE 28 1HD1 ILE 28 -5.351 -3.928 -7.122
209 2HD1 ILE 28 2HD1 ILE 28 -4.607 -5.520 -6.878
210 3HD1 ILE 28 3HD1 ILE 28 -5.439 -5.152 -8.402
211 H ASN 29 H ASN 29 -6.602 -9.620 -5.353
212 HA ASN 29 HA ASN 29 -7.747 -11.652 -7.001
213 1HB ASN 29 1HB ASN 29 -5.469 -11.636 -5.867
214 2HB ASN 29 2HB ASN 29 -6.286 -12.038 -4.351
215 1HD2 ASN 29 1HD2 ASN 29 -4.319 -13.792 -5.247
216 2HD2 ASN 29 2HD2 ASN 29 -5.162 -15.194 -5.912
217 H MET 30 H MET 30 -8.327 -10.820 -3.567
218 HA MET 30 HA MET 30 -10.475 -12.677 -3.082
219 1HB MET 30 1HB MET 30 -9.434 -10.152 -1.774
220 2HB MET 30 2HB MET 30 -10.915 -10.912 -1.202
221 1HG MET 30 1HG MET 30 -9.761 -12.980 -0.713
222 2HG MET 30 2HG MET 30 -8.278 -12.389 -1.470
223 1HE MET 30 1HE MET 30 -10.858 -10.610 0.930
224 2HE MET 30 2HE MET 30 -10.622 -12.163 1.763
225 3HE MET 30 3HE MET 30 -10.012 -10.653 2.481
226 H LEU 31 H LEU 31 -10.514 -9.915 -5.035
227 HA LEU 31 HA LEU 31 -13.486 -9.688 -4.955
228 1HB LEU 31 1HB LEU 31 -12.827 -7.536 -4.650
229 2HB LEU 31 2HB LEU 31 -11.232 -7.818 -5.294
230 1HD1 LEU 31 1HD1 LEU 31 -14.267 -7.092 -8.091
231 2HD1 LEU 31 2HD1 LEU 31 -14.661 -7.712 -6.488
232 3HD1 LEU 31 3HD1 LEU 31 -14.404 -5.971 -6.715
233 1HD2 LEU 31 1HD2 LEU 31 -12.120 -5.227 -7.587
234 2HD2 LEU 31 2HD2 LEU 31 -12.256 -5.250 -5.813
235 3HD2 LEU 31 3HD2 LEU 31 -10.822 -5.922 -6.604
236 1HG LEU 31 1HG LEU 31 -12.149 -7.694 -7.607
237 H THR 32 H THR 32 -11.093 -11.380 -6.547
238 HA THR 32 HA THR 32 -10.858 -12.379 -8.580
239 HB THR 32 HB THR 32 -13.882 -12.139 -8.772
240 HG1 THR 32 HG1 THR 32 -12.222 -13.539 -7.098
241 1HG2 THR 32 1HG2 THR 32 -12.151 -13.415 -10.603
242 2HG2 THR 32 2HG2 THR 32 -12.718 -14.719 -9.562
243 3HG2 THR 32 3HG2 THR 32 -13.888 -13.681 -10.392
244 H ARG 33 H ARG 33 -10.713 -9.440 -8.441
245 HA ARG 33 HA ARG 33 -12.095 -7.915 -10.185
246 1HB ARG 33 1HB ARG 33 -10.205 -7.180 -8.641
247 2HB ARG 33 2HB ARG 33 -9.120 -7.660 -9.937
248 1HG ARG 33 1HG ARG 33 -11.019 -6.023 -11.228
249 2HG ARG 33 2HG ARG 33 -10.798 -5.235 -9.675
250 1HD ARG 33 1HD ARG 33 -8.603 -4.626 -10.138
251 2HD ARG 33 2HD ARG 33 -8.294 -6.063 -11.110
252 HE ARG 33 HNE ARG 33 -9.071 -5.060 -13.002
253 1HH1 ARG 33 2HH2 ARG 33 -9.943 -2.943 -10.363
254 2HH1 ARG 33 1HH2 ARG 33 -10.515 -1.675 -11.406
255 1HH2 ARG 33 2HH1 ARG 33 -9.782 -3.403 -14.332
256 2HH2 ARG 33 1HH1 ARG 33 -10.401 -1.943 -13.619
257 HA PRO 34 HA PRO 34 -10.920 -10.204 -13.897
258 1HB PRO 34 1HB PRO 34 -13.117 -9.650 -15.484
259 2HB PRO 34 2HB PRO 34 -13.040 -10.888 -14.205
260 1HG PRO 34 1HG PRO 34 -14.350 -8.198 -14.122
261 2HG PRO 34 2HG PRO 34 -14.784 -9.710 -13.266
262 1HD PRO 34 1HD PRO 34 -13.374 -7.503 -12.189
263 2HD PRO 34 2HD PRO 34 -13.517 -9.123 -11.464
264 H ARG 35 H ARG 35 -9.166 -8.731 -14.023
265 HA ARG 35 HA ARG 35 -9.424 -6.464 -15.922
266 1HB ARG 35 1HB ARG 35 -7.963 -6.625 -13.668
267 2HB ARG 35 2HB ARG 35 -6.781 -7.333 -14.771
268 1HG ARG 35 1HG ARG 35 -7.421 -5.224 -16.290
269 2HG ARG 35 2HG ARG 35 -8.013 -4.556 -14.783
270 1HD ARG 35 1HD ARG 35 -5.935 -4.062 -14.072
271 2HD ARG 35 2HD ARG 35 -5.325 -5.685 -14.441
272 HE ARG 35 HNE ARG 35 -5.618 -4.476 -16.920
273 1HH1 ARG 35 2HH2 ARG 35 -3.695 -3.843 -14.101
274 2HH1 ARG 35 1HH2 ARG 35 -2.385 -3.107 -14.997
275 1HH2 ARG 35 2HH1 ARG 35 -3.997 -3.468 -18.059
276 2HH2 ARG 35 1HH1 ARG 35 -2.593 -2.872 -17.237
277 H TYR 36 H TYR 36 -8.381 -9.765 -16.017
278 HA TYR 36 HA TYR 36 -7.221 -9.447 -18.735
279 1HB TYR 36 1HB TYR 36 -5.564 -11.127 -18.136
280 2HB TYR 36 2HB TYR 36 -5.447 -9.752 -17.058
281 HD1 TYR 36 HD1 TYR 36 -6.073 -9.948 -14.659
282 HD2 TYR 36 HD2 TYR 36 -6.315 -13.326 -17.327
283 HE1 TYR 36 HE1 TYR 36 -6.232 -11.469 -12.708
284 HE2 TYR 36 HE2 TYR 36 -6.451 -14.860 -15.357
285 HH TYR 36 HH TYR 36 -6.559 -13.661 -12.020
286 1HN NH2 37 1HN NH2 37 -7.442 -11.497 -20.108
287 2HN NH2 37 2HN NH2 37 -8.804 -12.524 -19.670
Start of MODEL 8
1 1H ALA 1 1H ALA 1 7.707 10.696 12.464
2 2H ALA 1 2H ALA 1 9.026 10.033 13.192
3 3H ALA 1 3H ALA 1 9.221 10.935 11.831
4 HA ALA 1 HA ALA 1 7.970 9.353 10.552
5 1HB ALA 1 1HB ALA 1 10.097 8.819 10.081
6 2HB ALA 1 2HB ALA 1 10.609 8.753 11.776
7 3HB ALA 1 3HB ALA 1 9.766 7.372 11.039
8 HA PRO 2 HA PRO 2 6.671 5.715 13.221
9 1HB PRO 2 1HB PRO 2 7.284 5.548 15.921
10 2HB PRO 2 2HB PRO 2 8.259 4.838 14.607
11 1HG PRO 2 1HG PRO 2 8.804 7.281 16.235
12 2HG PRO 2 2HG PRO 2 9.948 6.194 15.395
13 1HD PRO 2 1HD PRO 2 9.018 8.726 14.519
14 2HD PRO 2 2HD PRO 2 9.959 7.540 13.567
15 H LEU 3 H LEU 3 6.847 8.649 15.253
16 HA LEU 3 HA LEU 3 4.004 8.344 15.995
17 1HB LEU 3 1HB LEU 3 6.065 8.771 17.615
18 2HB LEU 3 2HB LEU 3 5.812 10.456 17.195
19 1HD1 LEU 3 1HD1 LEU 3 4.912 10.175 20.211
20 2HD1 LEU 3 2HD1 LEU 3 3.849 8.757 20.253
21 3HD1 LEU 3 3HD1 LEU 3 5.512 8.589 19.694
22 1HD2 LEU 3 1HD2 LEU 3 4.132 11.701 18.434
23 2HD2 LEU 3 2HD2 LEU 3 2.954 11.045 17.280
24 3HD2 LEU 3 3HD2 LEU 3 2.656 10.902 19.016
25 1HG LEU 3 1HG LEU 3 3.438 8.757 18.025
26 H GLU 4 H GLU 4 2.756 9.157 14.544
27 HA GLU 4 HA GLU 4 1.649 10.522 13.193
28 1HB GLU 4 1HB GLU 4 2.641 12.256 15.124
29 2HB GLU 4 2HB GLU 4 3.179 13.022 13.647
30 1HG GLU 4 1HG GLU 4 1.108 13.806 13.231
31 2HG GLU 4 2HG GLU 4 0.366 12.219 13.405
32 HA PRO 5 HA PRO 5 4.076 10.560 9.496
33 1HB PRO 5 1HB PRO 5 2.538 12.112 7.773
34 2HB PRO 5 2HB PRO 5 2.235 10.400 8.180
35 1HG PRO 5 1HG PRO 5 0.770 12.819 9.105
36 2HG PRO 5 2HG PRO 5 0.220 11.120 9.005
37 1HD PRO 5 1HD PRO 5 1.116 12.554 11.296
38 2HD PRO 5 2HD PRO 5 0.713 10.811 11.213
39 H GLU 6 H GLU 6 5.697 11.723 8.554
40 HA GLU 6 HA GLU 6 6.164 14.486 9.526
41 1HB GLU 6 1HB GLU 6 8.469 14.110 8.682
42 2HB GLU 6 2HB GLU 6 7.980 13.108 10.041
43 1HG GLU 6 1HG GLU 6 7.861 11.138 8.767
44 2HG GLU 6 2HG GLU 6 7.797 11.976 7.229
45 H TYR 7 H TYR 7 4.683 15.565 8.207
46 HA TYR 7 HA TYR 7 5.350 15.650 5.298
47 1HB TYR 7 1HB TYR 7 3.087 16.275 4.875
48 2HB TYR 7 2HB TYR 7 3.163 14.746 5.729
49 HD1 TYR 7 HD1 TYR 7 1.847 18.112 5.748
50 HD2 TYR 7 HD2 TYR 7 2.640 14.698 8.243
51 HE1 TYR 7 HE1 TYR 7 0.380 19.067 7.528
52 HE2 TYR 7 HE2 TYR 7 1.213 15.649 10.032
53 HH TYR 7 HH TYR 7 -0.518 17.263 10.392
54 HA PRO 8 HA PRO 8 6.568 19.806 6.826
55 1HB PRO 8 1HB PRO 8 8.810 20.124 5.248
56 2HB PRO 8 2HB PRO 8 8.790 19.351 6.856
57 1HG PRO 8 1HG PRO 8 8.989 18.059 4.167
58 2HG PRO 8 2HG PRO 8 9.612 17.506 5.750
59 1HD PRO 8 1HD PRO 8 7.242 16.635 4.438
60 2HD PRO 8 2HD PRO 8 7.734 16.281 6.119
61 H GLY 9 H GLY 9 5.314 18.513 4.025
62 1HA GLY 9 1HA GLY 9 4.079 20.904 3.177
63 2HA GLY 9 2HA GLY 9 5.404 20.530 2.058
64 H ASP 10 H ASP 10 4.912 19.183 0.371
65 HA ASP 10 HA ASP 10 2.554 17.406 0.515
66 1HB ASP 10 1HB ASP 10 2.423 18.068 -1.983
67 2HB ASP 10 2HB ASP 10 1.790 19.128 -0.741
68 H ASN 11 H ASN 11 3.896 15.669 1.082
69 HA ASN 11 HA ASN 11 4.930 14.143 -1.134
70 1HB ASN 11 1HB ASN 11 7.277 14.017 -0.429
71 2HB ASN 11 2HB ASN 11 6.848 15.627 -0.965
72 1HD2 ASN 11 1HD2 ASN 11 8.471 13.947 1.459
73 2HD2 ASN 11 2HD2 ASN 11 8.450 15.258 2.632
74 H ALA 12 H ALA 12 3.302 12.758 -0.194
75 HA ALA 12 HA ALA 12 4.044 11.408 2.354
76 1HB ALA 12 1HB ALA 12 1.785 11.670 2.451
77 2HB ALA 12 2HB ALA 12 1.549 11.561 0.692
78 3HB ALA 12 3HB ALA 12 1.858 10.094 1.647
79 H THR 13 H THR 13 6.045 10.730 1.536
80 HA THR 13 HA THR 13 6.606 9.106 -0.659
81 HB THR 13 HB THR 13 8.457 8.182 0.802
82 HG1 THR 13 HG1 THR 13 8.413 8.583 2.928
83 1HG2 THR 13 1HG2 THR 13 8.631 10.419 -0.423
84 2HG2 THR 13 2HG2 THR 13 8.185 11.200 1.113
85 3HG2 THR 13 3HG2 THR 13 9.672 10.242 1.003
86 HA PRO 14 HA PRO 14 4.513 5.306 0.240
87 1HB PRO 14 1HB PRO 14 5.937 3.462 -1.235
88 2HB PRO 14 2HB PRO 14 4.870 4.708 -1.917
89 1HG PRO 14 1HG PRO 14 7.864 4.682 -1.797
90 2HG PRO 14 2HG PRO 14 6.777 5.376 -3.036
91 1HD PRO 14 1HD PRO 14 8.067 6.775 -0.942
92 2HD PRO 14 2HD PRO 14 6.738 7.392 -1.963
93 H GLU 15 H GLU 15 5.808 6.058 2.414
94 HA GLU 15 HA GLU 15 7.343 3.757 3.511
95 1HB GLU 15 1HB GLU 15 7.949 5.207 5.288
96 2HB GLU 15 2HB GLU 15 8.171 6.083 3.785
97 1HG GLU 15 1HG GLU 15 6.950 7.774 4.603
98 2HG GLU 15 2HG GLU 15 5.530 6.756 4.606
99 H GLN 16 H GLN 16 4.209 5.098 3.506
100 HA GLN 16 HA GLN 16 3.281 3.194 5.621
101 1HB GLN 16 1HB GLN 16 3.198 5.807 6.055
102 2HB GLN 16 2HB GLN 16 1.817 5.770 4.964
103 1HG GLN 16 1HG GLN 16 0.915 5.530 7.158
104 2HG GLN 16 2HG GLN 16 0.842 3.910 6.460
105 1HE2 GLN 16 1HE2 GLN 16 2.750 6.026 8.672
106 2HE2 GLN 16 2HE2 GLN 16 3.502 4.669 9.487
107 H MET 17 H MET 17 2.183 4.998 2.692
108 HA MET 17 HA MET 17 -0.090 3.406 2.187
109 1HB MET 17 1HB MET 17 1.264 5.554 0.884
110 2HB MET 17 2HB MET 17 1.172 4.256 -0.307
111 1HG MET 17 1HG MET 17 -1.173 5.362 1.287
112 2HG MET 17 2HG MET 17 -0.778 5.757 -0.389
113 1HE MET 17 1HE MET 17 -2.940 5.153 -1.545
114 2HE MET 17 2HE MET 17 -3.917 3.715 -1.178
115 3HE MET 17 3HE MET 17 -3.674 4.963 0.068
116 H ALA 18 H ALA 18 3.290 2.621 1.660
117 HA ALA 18 HA ALA 18 3.102 0.515 -0.203
118 1HB ALA 18 1HB ALA 18 4.917 0.924 2.217
119 2HB ALA 18 2HB ALA 18 5.179 -0.296 0.950
120 3HB ALA 18 3HB ALA 18 5.214 1.421 0.533
121 H GLN 19 H GLN 19 2.074 0.584 3.189
122 HA GLN 19 HA GLN 19 1.728 -2.313 3.404
123 1HB GLN 19 1HB GLN 19 1.645 0.015 5.157
124 2HB GLN 19 2HB GLN 19 0.162 -0.889 5.357
125 1HG GLN 19 1HG GLN 19 2.691 -2.520 5.327
126 2HG GLN 19 2HG GLN 19 2.512 -1.387 6.656
127 1HE2 GLN 19 1HE2 GLN 19 0.586 -1.525 8.045
128 2HE2 GLN 19 2HE2 GLN 19 -0.194 -3.097 8.204
129 H TYR 20 H TYR 20 -0.578 0.443 3.229
130 HA TYR 20 HA TYR 20 -2.943 -1.088 2.837
131 1HB TYR 20 1HB TYR 20 -2.068 1.745 2.443
132 2HB TYR 20 2HB TYR 20 -3.441 1.240 1.486
133 HD1 TYR 20 HD1 TYR 20 -5.553 1.550 2.346
134 HD2 TYR 20 HD2 TYR 20 -2.268 0.953 5.083
135 HE1 TYR 20 HE1 TYR 20 -7.082 1.934 4.261
136 HE2 TYR 20 HE2 TYR 20 -3.822 1.332 7.004
137 HH TYR 20 HH TYR 20 -7.227 1.407 6.676
138 H ALA 21 H ALA 21 -0.663 0.225 0.396
139 HA ALA 21 HA ALA 21 -2.047 -0.640 -1.935
140 1HB ALA 21 1HB ALA 21 0.897 -0.143 -1.315
141 2HB ALA 21 2HB ALA 21 0.290 -0.499 -2.943
142 3HB ALA 21 3HB ALA 21 -0.261 0.962 -2.091
143 H ALA 22 H ALA 22 0.474 -2.323 0.046
144 HA ALA 22 HA ALA 22 0.467 -4.745 -1.467
145 1HB ALA 22 1HB ALA 22 2.261 -4.198 0.099
146 2HB ALA 22 2HB ALA 22 1.124 -4.212 1.461
147 3HB ALA 22 3HB ALA 22 1.477 -5.714 0.593
148 H GLU 23 H GLU 23 -1.888 -3.454 0.785
149 HA GLU 23 HA GLU 23 -3.257 -5.969 1.254
150 1HB GLU 23 1HB GLU 23 -3.329 -3.547 2.548
151 2HB GLU 23 2HB GLU 23 -4.783 -3.430 1.550
152 1HG GLU 23 1HG GLU 23 -5.198 -5.917 2.432
153 2HG GLU 23 2HG GLU 23 -4.059 -5.441 3.689
154 H LEU 24 H LEU 24 -3.885 -3.091 -0.829
155 HA LEU 24 HA LEU 24 -6.228 -4.014 -2.077
156 1HB LEU 24 1HB LEU 24 -4.247 -1.919 -2.628
157 2HB LEU 24 2HB LEU 24 -4.742 -2.705 -4.116
158 1HD1 LEU 24 1HD1 LEU 24 -6.574 -1.719 -0.959
159 2HD1 LEU 24 2HD1 LEU 24 -5.765 -0.276 -1.605
160 3HD1 LEU 24 3HD1 LEU 24 -7.527 -0.478 -1.782
161 1HD2 LEU 24 1HD2 LEU 24 -5.372 -0.625 -4.724
162 2HD2 LEU 24 2HD2 LEU 24 -7.066 -1.042 -5.031
163 3HD2 LEU 24 3HD2 LEU 24 -6.662 0.284 -3.927
164 1HG LEU 24 1HG LEU 24 -7.189 -2.397 -3.268
165 H ARG 25 H ARG 25 -2.878 -4.707 -3.024
166 HA ARG 25 HA ARG 25 -3.295 -6.301 -5.328
167 1HB ARG 25 1HB ARG 25 -1.060 -5.806 -4.655
168 2HB ARG 25 2HB ARG 25 -1.295 -6.506 -3.046
169 1HG ARG 25 1HG ARG 25 -1.490 -8.758 -3.999
170 2HG ARG 25 2HG ARG 25 -1.348 -8.113 -5.637
171 1HD ARG 25 1HD ARG 25 0.898 -8.226 -5.514
172 2HD ARG 25 2HD ARG 25 0.916 -7.209 -4.075
173 HE ARG 25 HNE ARG 25 1.261 -9.057 -2.776
174 1HH1 ARG 25 2HH2 ARG 25 0.047 -10.249 -5.832
175 2HH1 ARG 25 1HH2 ARG 25 0.197 -11.928 -5.378
176 1HH2 ARG 25 2HH1 ARG 25 1.473 -11.221 -2.241
177 2HH2 ARG 25 1HH1 ARG 25 0.961 -12.459 -3.357
178 H ARG 26 H ARG 26 -3.777 -7.205 -1.948
179 HA ARG 26 HA ARG 26 -4.335 -10.036 -2.549
180 1HB ARG 26 1HB ARG 26 -5.092 -8.799 0.098
181 2HB ARG 26 2HB ARG 26 -4.437 -10.391 -0.273
182 1HG ARG 26 1HG ARG 26 -2.266 -8.962 -0.943
183 2HG ARG 26 2HG ARG 26 -3.070 -7.741 0.035
184 1HD ARG 26 1HD ARG 26 -2.248 -8.614 1.888
185 2HD ARG 26 2HD ARG 26 -3.095 -10.130 1.591
186 HE ARG 26 HNE ARG 26 -0.278 -9.528 1.152
187 1HH1 ARG 26 2HH2 ARG 26 -2.828 -11.612 0.059
188 2HH1 ARG 26 1HH2 ARG 26 -1.770 -12.863 -0.546
189 1HH2 ARG 26 2HH1 ARG 26 1.107 -11.179 0.499
190 2HH2 ARG 26 1HH1 ARG 26 0.464 -12.641 -0.213
191 H TYR 27 H TYR 27 -6.093 -7.150 -1.511
192 HA TYR 27 HA TYR 27 -8.706 -8.114 -1.430
193 1HB TYR 27 1HB TYR 27 -7.648 -5.738 -0.937
194 2HB TYR 27 2HB TYR 27 -8.117 -5.397 -2.596
195 HD1 TYR 27 HD1 TYR 27 -9.545 -6.977 0.520
196 HD2 TYR 27 HD2 TYR 27 -10.239 -4.393 -2.867
197 HE1 TYR 27 HE1 TYR 27 -11.822 -6.475 1.374
198 HE2 TYR 27 HE2 TYR 27 -12.510 -3.854 -1.977
199 HH TYR 27 HH TYR 27 -13.476 -4.512 1.171
200 H ILE 28 H ILE 28 -6.903 -6.947 -4.285
201 HA ILE 28 HA ILE 28 -8.882 -7.250 -6.269
202 HB ILE 28 HB ILE 28 -5.865 -7.390 -6.243
203 1HG1 ILE 28 1HG1 ILE 28 -7.720 -5.505 -7.740
204 2HG1 ILE 28 2HG1 ILE 28 -7.287 -5.234 -6.054
205 1HG2 ILE 28 1HG2 ILE 28 -7.664 -8.125 -8.546
206 2HG2 ILE 28 2HG2 ILE 28 -6.109 -7.335 -8.850
207 3HG2 ILE 28 3HG2 ILE 28 -6.154 -8.885 -8.017
208 1HD1 ILE 28 1HD1 ILE 28 -5.220 -5.458 -8.287
209 2HD1 ILE 28 2HD1 ILE 28 -5.840 -3.950 -7.605
210 3HD1 ILE 28 3HD1 ILE 28 -4.923 -5.073 -6.583
211 H ASN 29 H ASN 29 -6.467 -9.760 -5.313
212 HA ASN 29 HA ASN 29 -7.571 -11.822 -6.971
213 1HB ASN 29 1HB ASN 29 -5.288 -11.688 -5.783
214 2HB ASN 29 2HB ASN 29 -6.119 -12.217 -4.320
215 1HD2 ASN 29 1HD2 ASN 29 -4.037 -13.462 -6.408
216 2HD2 ASN 29 2HD2 ASN 29 -4.799 -15.055 -6.560
217 H MET 30 H MET 30 -8.325 -10.731 -3.694
218 HA MET 30 HA MET 30 -10.369 -12.722 -3.128
219 1HB MET 30 1HB MET 30 -9.303 -10.197 -1.866
220 2HB MET 30 2HB MET 30 -10.830 -10.841 -1.290
221 1HG MET 30 1HG MET 30 -8.665 -12.864 -1.626
222 2HG MET 30 2HG MET 30 -8.347 -11.637 -0.407
223 1HE MET 30 1HE MET 30 -10.037 -10.796 1.144
224 2HE MET 30 2HE MET 30 -11.115 -11.834 2.100
225 3HE MET 30 3HE MET 30 -9.348 -12.028 2.222
226 H LEU 31 H LEU 31 -10.455 -10.000 -5.164
227 HA LEU 31 HA LEU 31 -13.421 -9.889 -5.005
228 1HB LEU 31 1HB LEU 31 -11.683 -7.818 -4.706
229 2HB LEU 31 2HB LEU 31 -11.826 -7.763 -6.434
230 1HD1 LEU 31 1HD1 LEU 31 -13.104 -6.899 -3.279
231 2HD1 LEU 31 2HD1 LEU 31 -13.004 -5.505 -4.363
232 3HD1 LEU 31 3HD1 LEU 31 -14.588 -6.106 -3.806
233 1HD2 LEU 31 1HD2 LEU 31 -15.192 -6.658 -6.688
234 2HD2 LEU 31 2HD2 LEU 31 -13.855 -5.505 -6.492
235 3HD2 LEU 31 3HD2 LEU 31 -13.644 -6.974 -7.464
236 1HG LEU 31 1HG LEU 31 -14.453 -8.064 -5.104
237 H THR 32 H THR 32 -11.116 -11.436 -6.686
238 HA THR 32 HA THR 32 -10.835 -12.317 -8.749
239 HB THR 32 HB THR 32 -13.867 -12.199 -8.889
240 HG1 THR 32 HG1 THR 32 -13.685 -14.159 -7.743
241 1HG2 THR 32 1HG2 THR 32 -11.828 -14.216 -9.950
242 2HG2 THR 32 2HG2 THR 32 -13.583 -14.495 -9.882
243 3HG2 THR 32 3HG2 THR 32 -12.944 -13.229 -10.925
244 H ARG 33 H ARG 33 -10.873 -9.374 -8.535
245 HA ARG 33 HA ARG 33 -11.488 -8.630 -11.370
246 1HB ARG 33 1HB ARG 33 -13.107 -7.709 -9.699
247 2HB ARG 33 2HB ARG 33 -11.777 -6.788 -8.994
248 1HG ARG 33 1HG ARG 33 -11.568 -6.292 -11.797
249 2HG ARG 33 2HG ARG 33 -13.300 -6.363 -11.505
250 1HD ARG 33 1HD ARG 33 -12.530 -4.079 -11.303
251 2HD ARG 33 2HD ARG 33 -13.029 -4.665 -9.701
252 HE ARG 33 HNE ARG 33 -10.199 -5.100 -10.192
253 1HH1 ARG 33 2HH2 ARG 33 -12.493 -2.811 -8.955
254 2HH1 ARG 33 1HH2 ARG 33 -11.311 -1.909 -8.032
255 1HH2 ARG 33 2HH1 ARG 33 -8.677 -3.898 -9.114
256 2HH2 ARG 33 1HH1 ARG 33 -9.153 -2.548 -8.117
257 HA PRO 34 HA PRO 34 -7.004 -7.950 -10.677
258 1HB PRO 34 1HB PRO 34 -6.226 -8.496 -13.275
259 2HB PRO 34 2HB PRO 34 -6.339 -9.673 -11.938
260 1HG PRO 34 1HG PRO 34 -8.187 -9.297 -14.241
261 2HG PRO 34 2HG PRO 34 -7.881 -10.754 -13.248
262 1HD PRO 34 1HD PRO 34 -10.066 -8.948 -13.045
263 2HD PRO 34 2HD PRO 34 -9.658 -10.258 -11.901
264 H ARG 35 H ARG 35 -5.558 -6.372 -11.598
265 HA ARG 35 HA ARG 35 -6.740 -3.823 -12.089
266 1HB ARG 35 1HB ARG 35 -4.485 -3.023 -12.476
267 2HB ARG 35 2HB ARG 35 -4.499 -4.143 -11.113
268 1HG ARG 35 1HG ARG 35 -3.872 -5.941 -12.975
269 2HG ARG 35 2HG ARG 35 -3.368 -4.530 -13.902
270 1HD ARG 35 1HD ARG 35 -1.716 -3.930 -12.271
271 2HD ARG 35 2HD ARG 35 -2.385 -5.029 -11.063
272 HE ARG 35 HNE ARG 35 -0.534 -5.689 -13.180
273 1HH1 ARG 35 2HH2 ARG 35 -2.918 -7.071 -11.050
274 2HH1 ARG 35 1HH2 ARG 35 -2.434 -8.724 -11.343
275 1HH2 ARG 35 2HH1 ARG 35 0.108 -7.845 -13.527
276 2HH2 ARG 35 1HH1 ARG 35 -0.815 -9.128 -12.799
277 H TYR 36 H TYR 36 -7.553 -2.942 -13.834
278 HA TYR 36 HA TYR 36 -7.910 -4.387 -16.235
279 1HB TYR 36 1HB TYR 36 -9.288 -2.479 -15.067
280 2HB TYR 36 2HB TYR 36 -8.278 -1.391 -16.000
281 HD1 TYR 36 HD1 TYR 36 -10.389 -4.486 -16.351
282 HD2 TYR 36 HD2 TYR 36 -9.053 -0.811 -18.171
283 HE1 TYR 36 HE1 TYR 36 -11.968 -4.855 -18.245
284 HE2 TYR 36 HE2 TYR 36 -10.655 -1.180 -20.064
285 HH TYR 36 HH TYR 36 -12.052 -3.986 -20.843
286 1HN NH2 37 1HN NH2 37 -6.127 -4.918 -17.544
287 2HN NH2 37 2HN NH2 37 -5.015 -3.652 -18.095
Start of MODEL 9
1 1H ALA 1 1H ALA 1 7.707 10.696 12.464
2 2H ALA 1 2H ALA 1 9.026 10.033 13.192
3 3H ALA 1 3H ALA 1 9.221 10.935 11.831
4 HA ALA 1 HA ALA 1 7.970 9.353 10.552
5 1HB ALA 1 1HB ALA 1 10.097 8.819 10.081
6 2HB ALA 1 2HB ALA 1 10.609 8.753 11.776
7 3HB ALA 1 3HB ALA 1 9.766 7.372 11.039
8 HA PRO 2 HA PRO 2 6.671 5.715 13.221
9 1HB PRO 2 1HB PRO 2 7.284 5.548 15.921
10 2HB PRO 2 2HB PRO 2 8.259 4.838 14.607
11 1HG PRO 2 1HG PRO 2 8.804 7.281 16.235
12 2HG PRO 2 2HG PRO 2 9.948 6.194 15.395
13 1HD PRO 2 1HD PRO 2 9.018 8.726 14.519
14 2HD PRO 2 2HD PRO 2 9.959 7.540 13.567
15 H LEU 3 H LEU 3 6.847 8.649 15.253
16 HA LEU 3 HA LEU 3 4.004 8.344 15.995
17 1HB LEU 3 1HB LEU 3 6.065 8.771 17.615
18 2HB LEU 3 2HB LEU 3 5.812 10.456 17.195
19 1HD1 LEU 3 1HD1 LEU 3 4.912 10.175 20.211
20 2HD1 LEU 3 2HD1 LEU 3 3.849 8.757 20.253
21 3HD1 LEU 3 3HD1 LEU 3 5.512 8.589 19.694
22 1HD2 LEU 3 1HD2 LEU 3 4.132 11.701 18.434
23 2HD2 LEU 3 2HD2 LEU 3 2.954 11.045 17.280
24 3HD2 LEU 3 3HD2 LEU 3 2.656 10.902 19.016
25 1HG LEU 3 1HG LEU 3 3.438 8.757 18.025
26 H GLU 4 H GLU 4 2.756 9.157 14.544
27 HA GLU 4 HA GLU 4 1.649 10.522 13.193
28 1HB GLU 4 1HB GLU 4 2.641 12.256 15.124
29 2HB GLU 4 2HB GLU 4 3.179 13.022 13.647
30 1HG GLU 4 1HG GLU 4 1.108 13.806 13.231
31 2HG GLU 4 2HG GLU 4 0.366 12.219 13.405
32 HA PRO 5 HA PRO 5 4.076 10.560 9.496
33 1HB PRO 5 1HB PRO 5 2.538 12.112 7.773
34 2HB PRO 5 2HB PRO 5 2.235 10.400 8.180
35 1HG PRO 5 1HG PRO 5 0.770 12.819 9.105
36 2HG PRO 5 2HG PRO 5 0.220 11.120 9.005
37 1HD PRO 5 1HD PRO 5 1.116 12.554 11.296
38 2HD PRO 5 2HD PRO 5 0.713 10.811 11.213
39 H GLU 6 H GLU 6 5.697 11.723 8.554
40 HA GLU 6 HA GLU 6 6.164 14.486 9.526
41 1HB GLU 6 1HB GLU 6 8.469 14.110 8.682
42 2HB GLU 6 2HB GLU 6 7.980 13.108 10.041
43 1HG GLU 6 1HG GLU 6 7.861 11.138 8.767
44 2HG GLU 6 2HG GLU 6 7.797 11.976 7.229
45 H TYR 7 H TYR 7 4.683 15.565 8.207
46 HA TYR 7 HA TYR 7 5.350 15.650 5.298
47 1HB TYR 7 1HB TYR 7 3.087 16.275 4.875
48 2HB TYR 7 2HB TYR 7 3.163 14.746 5.729
49 HD1 TYR 7 HD1 TYR 7 1.847 18.112 5.748
50 HD2 TYR 7 HD2 TYR 7 2.640 14.698 8.243
51 HE1 TYR 7 HE1 TYR 7 0.380 19.067 7.528
52 HE2 TYR 7 HE2 TYR 7 1.213 15.649 10.032
53 HH TYR 7 HH TYR 7 -0.518 17.263 10.392
54 HA PRO 8 HA PRO 8 6.568 19.806 6.826
55 1HB PRO 8 1HB PRO 8 8.810 20.124 5.248
56 2HB PRO 8 2HB PRO 8 8.790 19.351 6.856
57 1HG PRO 8 1HG PRO 8 8.989 18.059 4.167
58 2HG PRO 8 2HG PRO 8 9.612 17.506 5.750
59 1HD PRO 8 1HD PRO 8 7.242 16.635 4.438
60 2HD PRO 8 2HD PRO 8 7.734 16.281 6.119
61 H GLY 9 H GLY 9 5.314 18.513 4.025
62 1HA GLY 9 1HA GLY 9 4.079 20.904 3.177
63 2HA GLY 9 2HA GLY 9 5.404 20.530 2.058
64 H ASP 10 H ASP 10 4.912 19.183 0.371
65 HA ASP 10 HA ASP 10 2.554 17.406 0.515
66 1HB ASP 10 1HB ASP 10 2.423 18.068 -1.983
67 2HB ASP 10 2HB ASP 10 1.790 19.128 -0.741
68 H ASN 11 H ASN 11 3.896 15.669 1.082
69 HA ASN 11 HA ASN 11 4.930 14.143 -1.134
70 1HB ASN 11 1HB ASN 11 7.277 14.017 -0.429
71 2HB ASN 11 2HB ASN 11 6.848 15.627 -0.965
72 1HD2 ASN 11 1HD2 ASN 11 8.471 13.947 1.459
73 2HD2 ASN 11 2HD2 ASN 11 8.450 15.258 2.632
74 H ALA 12 H ALA 12 3.302 12.758 -0.194
75 HA ALA 12 HA ALA 12 4.044 11.408 2.354
76 1HB ALA 12 1HB ALA 12 1.785 11.670 2.451
77 2HB ALA 12 2HB ALA 12 1.549 11.561 0.692
78 3HB ALA 12 3HB ALA 12 1.858 10.094 1.647
79 H THR 13 H THR 13 6.045 10.730 1.536
80 HA THR 13 HA THR 13 6.606 9.106 -0.659
81 HB THR 13 HB THR 13 8.457 8.182 0.802
82 HG1 THR 13 HG1 THR 13 8.413 8.583 2.928
83 1HG2 THR 13 1HG2 THR 13 8.631 10.419 -0.423
84 2HG2 THR 13 2HG2 THR 13 8.185 11.200 1.113
85 3HG2 THR 13 3HG2 THR 13 9.672 10.242 1.003
86 HA PRO 14 HA PRO 14 4.513 5.306 0.240
87 1HB PRO 14 1HB PRO 14 5.937 3.462 -1.235
88 2HB PRO 14 2HB PRO 14 4.870 4.708 -1.917
89 1HG PRO 14 1HG PRO 14 7.864 4.682 -1.797
90 2HG PRO 14 2HG PRO 14 6.777 5.376 -3.036
91 1HD PRO 14 1HD PRO 14 8.067 6.775 -0.942
92 2HD PRO 14 2HD PRO 14 6.738 7.392 -1.963
93 H GLU 15 H GLU 15 5.808 6.058 2.414
94 HA GLU 15 HA GLU 15 7.343 3.757 3.511
95 1HB GLU 15 1HB GLU 15 7.949 5.207 5.288
96 2HB GLU 15 2HB GLU 15 8.171 6.083 3.785
97 1HG GLU 15 1HG GLU 15 6.950 7.774 4.603
98 2HG GLU 15 2HG GLU 15 5.530 6.756 4.606
99 H GLN 16 H GLN 16 4.209 5.098 3.506
100 HA GLN 16 HA GLN 16 3.281 3.194 5.621
101 1HB GLN 16 1HB GLN 16 3.198 5.807 6.055
102 2HB GLN 16 2HB GLN 16 1.817 5.770 4.964
103 1HG GLN 16 1HG GLN 16 0.915 5.530 7.158
104 2HG GLN 16 2HG GLN 16 0.842 3.910 6.460
105 1HE2 GLN 16 1HE2 GLN 16 2.750 6.026 8.672
106 2HE2 GLN 16 2HE2 GLN 16 3.502 4.669 9.487
107 H MET 17 H MET 17 2.183 4.998 2.692
108 HA MET 17 HA MET 17 -0.090 3.406 2.187
109 1HB MET 17 1HB MET 17 1.264 5.554 0.884
110 2HB MET 17 2HB MET 17 1.172 4.256 -0.307
111 1HG MET 17 1HG MET 17 -1.173 5.362 1.287
112 2HG MET 17 2HG MET 17 -0.778 5.757 -0.389
113 1HE MET 17 1HE MET 17 -2.940 5.153 -1.545
114 2HE MET 17 2HE MET 17 -3.917 3.715 -1.178
115 3HE MET 17 3HE MET 17 -3.674 4.963 0.068
116 H ALA 18 H ALA 18 3.290 2.621 1.660
117 HA ALA 18 HA ALA 18 3.102 0.515 -0.203
118 1HB ALA 18 1HB ALA 18 4.917 0.924 2.217
119 2HB ALA 18 2HB ALA 18 5.179 -0.296 0.950
120 3HB ALA 18 3HB ALA 18 5.214 1.421 0.533
121 H GLN 19 H GLN 19 2.074 0.584 3.189
122 HA GLN 19 HA GLN 19 1.728 -2.313 3.404
123 1HB GLN 19 1HB GLN 19 1.645 0.015 5.157
124 2HB GLN 19 2HB GLN 19 0.162 -0.889 5.357
125 1HG GLN 19 1HG GLN 19 2.691 -2.520 5.327
126 2HG GLN 19 2HG GLN 19 2.512 -1.387 6.656
127 1HE2 GLN 19 1HE2 GLN 19 0.586 -1.525 8.045
128 2HE2 GLN 19 2HE2 GLN 19 -0.194 -3.097 8.204
129 H TYR 20 H TYR 20 -0.578 0.443 3.229
130 HA TYR 20 HA TYR 20 -2.943 -1.088 2.837
131 1HB TYR 20 1HB TYR 20 -2.068 1.745 2.443
132 2HB TYR 20 2HB TYR 20 -3.441 1.240 1.486
133 HD1 TYR 20 HD1 TYR 20 -5.553 1.550 2.346
134 HD2 TYR 20 HD2 TYR 20 -2.268 0.953 5.083
135 HE1 TYR 20 HE1 TYR 20 -7.082 1.934 4.261
136 HE2 TYR 20 HE2 TYR 20 -3.822 1.332 7.004
137 HH TYR 20 HH TYR 20 -7.227 1.407 6.676
138 H ALA 21 H ALA 21 -0.663 0.225 0.396
139 HA ALA 21 HA ALA 21 -2.047 -0.640 -1.935
140 1HB ALA 21 1HB ALA 21 0.897 -0.143 -1.315
141 2HB ALA 21 2HB ALA 21 0.290 -0.499 -2.943
142 3HB ALA 21 3HB ALA 21 -0.261 0.962 -2.091
143 H ALA 22 H ALA 22 0.474 -2.323 0.046
144 HA ALA 22 HA ALA 22 0.467 -4.745 -1.467
145 1HB ALA 22 1HB ALA 22 2.261 -4.198 0.099
146 2HB ALA 22 2HB ALA 22 1.124 -4.212 1.461
147 3HB ALA 22 3HB ALA 22 1.477 -5.714 0.593
148 H GLU 23 H GLU 23 -1.888 -3.454 0.785
149 HA GLU 23 HA GLU 23 -3.257 -5.969 1.254
150 1HB GLU 23 1HB GLU 23 -3.329 -3.547 2.548
151 2HB GLU 23 2HB GLU 23 -4.783 -3.430 1.550
152 1HG GLU 23 1HG GLU 23 -5.198 -5.917 2.432
153 2HG GLU 23 2HG GLU 23 -4.059 -5.441 3.689
154 H LEU 24 H LEU 24 -3.885 -3.091 -0.829
155 HA LEU 24 HA LEU 24 -6.228 -4.014 -2.077
156 1HB LEU 24 1HB LEU 24 -4.247 -1.919 -2.628
157 2HB LEU 24 2HB LEU 24 -4.742 -2.705 -4.116
158 1HD1 LEU 24 1HD1 LEU 24 -6.574 -1.719 -0.959
159 2HD1 LEU 24 2HD1 LEU 24 -5.765 -0.276 -1.605
160 3HD1 LEU 24 3HD1 LEU 24 -7.527 -0.478 -1.782
161 1HD2 LEU 24 1HD2 LEU 24 -5.372 -0.625 -4.724
162 2HD2 LEU 24 2HD2 LEU 24 -7.066 -1.042 -5.031
163 3HD2 LEU 24 3HD2 LEU 24 -6.662 0.284 -3.927
164 1HG LEU 24 1HG LEU 24 -7.189 -2.397 -3.268
165 H ARG 25 H ARG 25 -2.878 -4.707 -3.024
166 HA ARG 25 HA ARG 25 -3.295 -6.301 -5.328
167 1HB ARG 25 1HB ARG 25 -1.060 -5.806 -4.655
168 2HB ARG 25 2HB ARG 25 -1.295 -6.506 -3.046
169 1HG ARG 25 1HG ARG 25 -1.490 -8.758 -3.999
170 2HG ARG 25 2HG ARG 25 -1.348 -8.113 -5.637
171 1HD ARG 25 1HD ARG 25 0.898 -8.226 -5.514
172 2HD ARG 25 2HD ARG 25 0.916 -7.209 -4.075
173 HE ARG 25 HNE ARG 25 1.261 -9.057 -2.776
174 1HH1 ARG 25 2HH2 ARG 25 0.047 -10.249 -5.832
175 2HH1 ARG 25 1HH2 ARG 25 0.197 -11.928 -5.378
176 1HH2 ARG 25 2HH1 ARG 25 1.473 -11.221 -2.241
177 2HH2 ARG 25 1HH1 ARG 25 0.961 -12.459 -3.357
178 H ARG 26 H ARG 26 -3.777 -7.205 -1.948
179 HA ARG 26 HA ARG 26 -4.335 -10.036 -2.549
180 1HB ARG 26 1HB ARG 26 -5.092 -8.799 0.098
181 2HB ARG 26 2HB ARG 26 -4.437 -10.391 -0.273
182 1HG ARG 26 1HG ARG 26 -2.266 -8.962 -0.943
183 2HG ARG 26 2HG ARG 26 -3.070 -7.741 0.035
184 1HD ARG 26 1HD ARG 26 -2.248 -8.614 1.888
185 2HD ARG 26 2HD ARG 26 -3.095 -10.130 1.591
186 HE ARG 26 HNE ARG 26 -0.278 -9.528 1.152
187 1HH1 ARG 26 2HH2 ARG 26 -2.828 -11.612 0.059
188 2HH1 ARG 26 1HH2 ARG 26 -1.770 -12.863 -0.546
189 1HH2 ARG 26 2HH1 ARG 26 1.107 -11.179 0.499
190 2HH2 ARG 26 1HH1 ARG 26 0.464 -12.641 -0.213
191 H TYR 27 H TYR 27 -6.093 -7.150 -1.511
192 HA TYR 27 HA TYR 27 -8.706 -8.114 -1.430
193 1HB TYR 27 1HB TYR 27 -7.648 -5.738 -0.937
194 2HB TYR 27 2HB TYR 27 -8.117 -5.397 -2.596
195 HD1 TYR 27 HD1 TYR 27 -9.545 -6.977 0.520
196 HD2 TYR 27 HD2 TYR 27 -10.239 -4.393 -2.867
197 HE1 TYR 27 HE1 TYR 27 -11.822 -6.475 1.374
198 HE2 TYR 27 HE2 TYR 27 -12.510 -3.854 -1.977
199 HH TYR 27 HH TYR 27 -13.476 -4.512 1.171
200 H ILE 28 H ILE 28 -6.903 -6.947 -4.285
201 HA ILE 28 HA ILE 28 -8.882 -7.250 -6.269
202 HB ILE 28 HB ILE 28 -5.865 -7.390 -6.243
203 1HG1 ILE 28 1HG1 ILE 28 -7.720 -5.505 -7.740
204 2HG1 ILE 28 2HG1 ILE 28 -7.287 -5.234 -6.054
205 1HG2 ILE 28 1HG2 ILE 28 -7.664 -8.125 -8.546
206 2HG2 ILE 28 2HG2 ILE 28 -6.109 -7.335 -8.850
207 3HG2 ILE 28 3HG2 ILE 28 -6.154 -8.885 -8.017
208 1HD1 ILE 28 1HD1 ILE 28 -5.220 -5.458 -8.287
209 2HD1 ILE 28 2HD1 ILE 28 -5.840 -3.950 -7.605
210 3HD1 ILE 28 3HD1 ILE 28 -4.923 -5.073 -6.583
211 H ASN 29 H ASN 29 -6.467 -9.760 -5.313
212 HA ASN 29 HA ASN 29 -7.571 -11.822 -6.971
213 1HB ASN 29 1HB ASN 29 -5.288 -11.688 -5.783
214 2HB ASN 29 2HB ASN 29 -6.119 -12.217 -4.320
215 1HD2 ASN 29 1HD2 ASN 29 -4.037 -13.462 -6.408
216 2HD2 ASN 29 2HD2 ASN 29 -4.799 -15.055 -6.560
217 H MET 30 H MET 30 -8.325 -10.731 -3.694
218 HA MET 30 HA MET 30 -10.369 -12.722 -3.128
219 1HB MET 30 1HB MET 30 -9.303 -10.197 -1.866
220 2HB MET 30 2HB MET 30 -10.830 -10.841 -1.290
221 1HG MET 30 1HG MET 30 -8.665 -12.864 -1.626
222 2HG MET 30 2HG MET 30 -8.347 -11.637 -0.407
223 1HE MET 30 1HE MET 30 -10.037 -10.796 1.144
224 2HE MET 30 2HE MET 30 -11.115 -11.834 2.100
225 3HE MET 30 3HE MET 30 -9.348 -12.028 2.222
226 H LEU 31 H LEU 31 -10.455 -10.000 -5.164
227 HA LEU 31 HA LEU 31 -13.421 -9.889 -5.005
228 1HB LEU 31 1HB LEU 31 -11.683 -7.818 -4.706
229 2HB LEU 31 2HB LEU 31 -11.826 -7.763 -6.434
230 1HD1 LEU 31 1HD1 LEU 31 -13.104 -6.899 -3.279
231 2HD1 LEU 31 2HD1 LEU 31 -13.004 -5.505 -4.363
232 3HD1 LEU 31 3HD1 LEU 31 -14.588 -6.106 -3.806
233 1HD2 LEU 31 1HD2 LEU 31 -15.192 -6.658 -6.688
234 2HD2 LEU 31 2HD2 LEU 31 -13.855 -5.505 -6.492
235 3HD2 LEU 31 3HD2 LEU 31 -13.644 -6.974 -7.464
236 1HG LEU 31 1HG LEU 31 -14.453 -8.064 -5.104
237 H THR 32 H THR 32 -11.116 -11.436 -6.686
238 HA THR 32 HA THR 32 -10.835 -12.317 -8.749
239 HB THR 32 HB THR 32 -13.867 -12.199 -8.889
240 HG1 THR 32 HG1 THR 32 -13.685 -14.159 -7.743
241 1HG2 THR 32 1HG2 THR 32 -11.828 -14.216 -9.950
242 2HG2 THR 32 2HG2 THR 32 -13.583 -14.495 -9.882
243 3HG2 THR 32 3HG2 THR 32 -12.944 -13.229 -10.925
244 H ARG 33 H ARG 33 -10.873 -9.374 -8.535
245 HA ARG 33 HA ARG 33 -11.488 -8.630 -11.370
246 1HB ARG 33 1HB ARG 33 -13.107 -7.709 -9.699
247 2HB ARG 33 2HB ARG 33 -11.777 -6.788 -8.994
248 1HG ARG 33 1HG ARG 33 -11.568 -6.292 -11.797
249 2HG ARG 33 2HG ARG 33 -13.300 -6.363 -11.505
250 1HD ARG 33 1HD ARG 33 -12.530 -4.079 -11.303
251 2HD ARG 33 2HD ARG 33 -13.029 -4.665 -9.701
252 HE ARG 33 HNE ARG 33 -10.199 -5.100 -10.192
253 1HH1 ARG 33 2HH2 ARG 33 -12.493 -2.811 -8.955
254 2HH1 ARG 33 1HH2 ARG 33 -11.311 -1.909 -8.032
255 1HH2 ARG 33 2HH1 ARG 33 -8.677 -3.898 -9.114
256 2HH2 ARG 33 1HH1 ARG 33 -9.153 -2.548 -8.117
257 HA PRO 34 HA PRO 34 -7.004 -7.950 -10.677
258 1HB PRO 34 1HB PRO 34 -6.226 -8.496 -13.275
259 2HB PRO 34 2HB PRO 34 -6.339 -9.673 -11.938
260 1HG PRO 34 1HG PRO 34 -8.187 -9.297 -14.241
261 2HG PRO 34 2HG PRO 34 -7.881 -10.754 -13.248
262 1HD PRO 34 1HD PRO 34 -10.066 -8.948 -13.045
263 2HD PRO 34 2HD PRO 34 -9.658 -10.258 -11.901
264 H ARG 35 H ARG 35 -5.558 -6.372 -11.598
265 HA ARG 35 HA ARG 35 -6.740 -3.823 -12.089
266 1HB ARG 35 1HB ARG 35 -4.485 -3.023 -12.476
267 2HB ARG 35 2HB ARG 35 -4.499 -4.143 -11.113
268 1HG ARG 35 1HG ARG 35 -3.872 -5.941 -12.975
269 2HG ARG 35 2HG ARG 35 -3.368 -4.530 -13.902
270 1HD ARG 35 1HD ARG 35 -1.716 -3.930 -12.271
271 2HD ARG 35 2HD ARG 35 -2.385 -5.029 -11.063
272 HE ARG 35 HNE ARG 35 -0.534 -5.689 -13.180
273 1HH1 ARG 35 2HH2 ARG 35 -2.918 -7.071 -11.050
274 2HH1 ARG 35 1HH2 ARG 35 -2.434 -8.724 -11.343
275 1HH2 ARG 35 2HH1 ARG 35 0.108 -7.845 -13.527
276 2HH2 ARG 35 1HH1 ARG 35 -0.815 -9.128 -12.799
277 H TYR 36 H TYR 36 -7.553 -2.942 -13.834
278 HA TYR 36 HA TYR 36 -7.910 -4.387 -16.235
279 1HB TYR 36 1HB TYR 36 -9.288 -2.479 -15.067
280 2HB TYR 36 2HB TYR 36 -8.278 -1.391 -16.000
281 HD1 TYR 36 HD1 TYR 36 -10.389 -4.486 -16.351
282 HD2 TYR 36 HD2 TYR 36 -9.053 -0.811 -18.171
283 HE1 TYR 36 HE1 TYR 36 -11.968 -4.855 -18.245
284 HE2 TYR 36 HE2 TYR 36 -10.655 -1.180 -20.064
285 HH TYR 36 HH TYR 36 -12.052 -3.986 -20.843
286 1HN NH2 37 1HN NH2 37 -6.127 -4.918 -17.544
287 2HN NH2 37 2HN NH2 37 -5.015 -3.652 -18.095
Start of MODEL 10
1 1H ALA 1 1H ALA 1 7.672 10.699 12.397
2 2H ALA 1 2H ALA 1 9.009 10.085 13.142
3 3H ALA 1 3H ALA 1 9.176 10.938 11.745
4 HA ALA 1 HA ALA 1 7.953 9.301 10.532
5 1HB ALA 1 1HB ALA 1 10.117 8.850 10.104
6 2HB ALA 1 2HB ALA 1 10.585 8.717 11.807
7 3HB ALA 1 3HB ALA 1 9.755 7.368 10.994
8 HA PRO 2 HA PRO 2 6.671 5.704 13.223
9 1HB PRO 2 1HB PRO 2 7.300 5.492 15.907
10 2HB PRO 2 2HB PRO 2 8.289 4.827 14.579
11 1HG PRO 2 1HG PRO 2 8.761 7.282 16.230
12 2HG PRO 2 2HG PRO 2 9.943 6.194 15.447
13 1HD PRO 2 1HD PRO 2 9.069 8.703 14.493
14 2HD PRO 2 2HD PRO 2 9.962 7.468 13.557
15 H LEU 3 H LEU 3 6.850 8.636 15.250
16 HA LEU 3 HA LEU 3 4.010 8.322 16.008
17 1HB LEU 3 1HB LEU 3 6.051 8.701 17.645
18 2HB LEU 3 2HB LEU 3 5.841 10.397 17.238
19 1HD1 LEU 3 1HD1 LEU 3 4.989 10.167 20.195
20 2HD1 LEU 3 2HD1 LEU 3 3.819 8.839 20.316
21 3HD1 LEU 3 3HD1 LEU 3 5.456 8.518 19.742
22 1HD2 LEU 3 1HD2 LEU 3 4.129 11.666 18.439
23 2HD2 LEU 3 2HD2 LEU 3 2.964 10.998 17.281
24 3HD2 LEU 3 3HD2 LEU 3 2.649 10.868 19.014
25 1HG LEU 3 1HG LEU 3 3.446 8.714 18.060
26 H GLU 4 H GLU 4 2.769 9.144 14.554
27 HA GLU 4 HA GLU 4 1.657 10.513 13.211
28 1HB GLU 4 1HB GLU 4 2.643 12.245 15.155
29 2HB GLU 4 2HB GLU 4 3.153 13.025 13.675
30 1HG GLU 4 1HG GLU 4 1.066 13.773 13.277
31 2HG GLU 4 2HG GLU 4 0.346 12.181 13.469
32 HA PRO 5 HA PRO 5 4.074 10.541 9.517
33 1HB PRO 5 1HB PRO 5 2.546 12.086 7.782
34 2HB PRO 5 2HB PRO 5 2.226 10.381 8.207
35 1HG PRO 5 1HG PRO 5 0.805 12.833 9.131
36 2HG PRO 5 2HG PRO 5 0.213 11.150 9.009
37 1HD PRO 5 1HD PRO 5 1.097 12.523 11.331
38 2HD PRO 5 2HD PRO 5 0.722 10.777 11.209
39 H GLU 6 H GLU 6 5.716 11.694 8.580
40 HA GLU 6 HA GLU 6 6.172 14.462 9.539
41 1HB GLU 6 1HB GLU 6 8.476 14.104 8.682
42 2HB GLU 6 2HB GLU 6 7.997 13.110 10.049
43 1HG GLU 6 1HG GLU 6 7.879 11.128 8.774
44 2HG GLU 6 2HG GLU 6 7.865 11.973 7.236
45 H TYR 7 H TYR 7 4.687 15.551 8.236
46 HA TYR 7 HA TYR 7 5.345 15.657 5.326
47 1HB TYR 7 1HB TYR 7 3.087 16.289 4.904
48 2HB TYR 7 2HB TYR 7 3.158 14.756 5.748
49 HD1 TYR 7 HD1 TYR 7 1.834 18.118 5.777
50 HD2 TYR 7 HD2 TYR 7 2.616 14.688 8.252
51 HE1 TYR 7 HE1 TYR 7 0.341 19.051 7.550
52 HE2 TYR 7 HE2 TYR 7 1.169 15.618 10.034
53 HH TYR 7 HH TYR 7 -0.477 17.242 10.468
54 HA PRO 8 HA PRO 8 6.563 19.820 6.840
55 1HB PRO 8 1HB PRO 8 8.810 20.135 5.280
56 2HB PRO 8 2HB PRO 8 8.784 19.335 6.876
57 1HG PRO 8 1HG PRO 8 8.932 18.081 4.157
58 2HG PRO 8 2HG PRO 8 9.620 17.520 5.711
59 1HD PRO 8 1HD PRO 8 7.234 16.608 4.491
60 2HD PRO 8 2HD PRO 8 7.745 16.309 6.177
61 H GLY 9 H GLY 9 5.325 18.511 4.035
62 1HA GLY 9 1HA GLY 9 4.059 20.894 3.206
63 2HA GLY 9 2HA GLY 9 5.378 20.537 2.074
64 H ASP 10 H ASP 10 4.886 19.204 0.391
65 HA ASP 10 HA ASP 10 2.528 17.430 0.521
66 1HB ASP 10 1HB ASP 10 2.413 18.139 -1.979
67 2HB ASP 10 2HB ASP 10 1.757 19.147 -0.709
68 H ASN 11 H ASN 11 3.964 15.740 1.142
69 HA ASN 11 HA ASN 11 4.942 14.184 -1.105
70 1HB ASN 11 1HB ASN 11 7.290 14.059 -0.402
71 2HB ASN 11 2HB ASN 11 6.846 15.671 -0.927
72 1HD2 ASN 11 1HD2 ASN 11 8.404 13.934 1.548
73 2HD2 ASN 11 2HD2 ASN 11 8.441 15.278 2.684
74 H ALA 12 H ALA 12 3.232 12.862 -0.094
75 HA ALA 12 HA ALA 12 4.019 11.413 2.372
76 1HB ALA 12 1HB ALA 12 1.736 11.720 2.392
77 2HB ALA 12 2HB ALA 12 1.549 11.478 0.639
78 3HB ALA 12 3HB ALA 12 1.873 10.093 1.705
79 H THR 13 H THR 13 6.027 10.711 1.598
80 HA THR 13 HA THR 13 6.592 9.112 -0.627
81 HB THR 13 HB THR 13 8.443 8.170 0.804
82 HG1 THR 13 HG1 THR 13 8.552 8.716 2.946
83 1HG2 THR 13 1HG2 THR 13 8.644 10.394 -0.391
84 2HG2 THR 13 2HG2 THR 13 8.159 11.187 1.126
85 3HG2 THR 13 3HG2 THR 13 9.656 10.239 1.057
86 HA PRO 14 HA PRO 14 4.514 5.296 0.262
87 1HB PRO 14 1HB PRO 14 5.918 3.463 -1.229
88 2HB PRO 14 2HB PRO 14 4.876 4.734 -1.910
89 1HG PRO 14 1HG PRO 14 7.874 4.683 -1.725
90 2HG PRO 14 2HG PRO 14 6.825 5.345 -3.014
91 1HD PRO 14 1HD PRO 14 8.050 6.817 -0.951
92 2HD PRO 14 2HD PRO 14 6.691 7.379 -1.964
93 H GLU 15 H GLU 15 5.818 6.055 2.430
94 HA GLU 15 HA GLU 15 7.350 3.747 3.521
95 1HB GLU 15 1HB GLU 15 7.949 5.184 5.314
96 2HB GLU 15 2HB GLU 15 8.182 6.061 3.813
97 1HG GLU 15 1HG GLU 15 6.979 7.758 4.639
98 2HG GLU 15 2HG GLU 15 5.545 6.757 4.612
99 H GLN 16 H GLN 16 4.217 5.111 3.546
100 HA GLN 16 HA GLN 16 3.282 3.180 5.635
101 1HB GLN 16 1HB GLN 16 3.208 5.786 6.082
102 2HB GLN 16 2HB GLN 16 1.830 5.764 4.989
103 1HG GLN 16 1HG GLN 16 0.924 5.531 7.179
104 2HG GLN 16 2HG GLN 16 0.835 3.913 6.480
105 1HE2 GLN 16 1HE2 GLN 16 2.842 6.008 8.645
106 2HE2 GLN 16 2HE2 GLN 16 3.519 4.639 9.498
107 H MET 17 H MET 17 2.187 4.994 2.707
108 HA MET 17 HA MET 17 -0.088 3.409 2.193
109 1HB MET 17 1HB MET 17 1.247 5.569 0.914
110 2HB MET 17 2HB MET 17 1.190 4.283 -0.291
111 1HG MET 17 1HG MET 17 -1.187 5.361 1.275
112 2HG MET 17 2HG MET 17 -0.772 5.764 -0.392
113 1HE MET 17 1HE MET 17 -2.969 5.168 -1.540
114 2HE MET 17 2HE MET 17 -3.936 3.726 -1.163
115 3HE MET 17 3HE MET 17 -3.671 4.966 0.087
116 H ALA 18 H ALA 18 3.289 2.614 1.652
117 HA ALA 18 HA ALA 18 3.087 0.505 -0.203
118 1HB ALA 18 1HB ALA 18 4.908 0.902 2.214
119 2HB ALA 18 2HB ALA 18 5.162 -0.313 0.942
120 3HB ALA 18 3HB ALA 18 5.205 1.406 0.533
121 H GLN 19 H GLN 19 2.082 0.568 3.206
122 HA GLN 19 HA GLN 19 1.712 -2.328 3.406
123 1HB GLN 19 1HB GLN 19 1.639 -0.011 5.172
124 2HB GLN 19 2HB GLN 19 0.152 -0.906 5.367
125 1HG GLN 19 1HG GLN 19 2.673 -2.548 5.343
126 2HG GLN 19 2HG GLN 19 2.495 -1.418 6.672
127 1HE2 GLN 19 1HE2 GLN 19 0.551 -1.564 8.066
128 2HE2 GLN 19 2HE2 GLN 19 -0.200 -3.152 8.226
129 H TYR 20 H TYR 20 -0.567 0.451 3.198
130 HA TYR 20 HA TYR 20 -2.942 -1.080 2.818
131 1HB TYR 20 1HB TYR 20 -2.076 1.757 2.434
132 2HB TYR 20 2HB TYR 20 -3.451 1.249 1.482
133 HD1 TYR 20 HD1 TYR 20 -5.564 1.539 2.356
134 HD2 TYR 20 HD2 TYR 20 -2.257 0.968 5.073
135 HE1 TYR 20 HE1 TYR 20 -7.088 1.892 4.281
136 HE2 TYR 20 HE2 TYR 20 -3.806 1.317 7.004
137 HH TYR 20 HH TYR 20 -7.255 1.450 6.647
138 H ALA 21 H ALA 21 -0.666 0.236 0.370
139 HA ALA 21 HA ALA 21 -2.044 -0.645 -1.956
140 1HB ALA 21 1HB ALA 21 0.910 -0.177 -1.357
141 2HB ALA 21 2HB ALA 21 0.260 -0.471 -2.983
142 3HB ALA 21 3HB ALA 21 -0.246 0.969 -2.071
143 H ALA 22 H ALA 22 0.483 -2.321 0.032
144 HA ALA 22 HA ALA 22 0.459 -4.748 -1.469
145 1HB ALA 22 1HB ALA 22 2.259 -4.183 0.090
146 2HB ALA 22 2HB ALA 22 1.127 -4.221 1.457
147 3HB ALA 22 3HB ALA 22 1.492 -5.713 0.571
148 H GLU 23 H GLU 23 -1.869 -3.464 0.838
149 HA GLU 23 HA GLU 23 -3.257 -5.977 1.252
150 1HB GLU 23 1HB GLU 23 -3.342 -3.575 2.581
151 2HB GLU 23 2HB GLU 23 -4.791 -3.447 1.578
152 1HG GLU 23 1HG GLU 23 -5.227 -5.935 2.413
153 2HG GLU 23 2HG GLU 23 -4.066 -5.515 3.670
154 H LEU 24 H LEU 24 -3.878 -3.083 -0.816
155 HA LEU 24 HA LEU 24 -6.213 -4.006 -2.072
156 1HB LEU 24 1HB LEU 24 -4.243 -1.902 -2.615
157 2HB LEU 24 2HB LEU 24 -4.733 -2.684 -4.108
158 1HD1 LEU 24 1HD1 LEU 24 -6.574 -1.723 -0.948
159 2HD1 LEU 24 2HD1 LEU 24 -5.773 -0.273 -1.585
160 3HD1 LEU 24 3HD1 LEU 24 -7.532 -0.481 -1.766
161 1HD2 LEU 24 1HD2 LEU 24 -5.364 -0.562 -4.671
162 2HD2 LEU 24 2HD2 LEU 24 -7.029 -1.046 -5.036
163 3HD2 LEU 24 3HD2 LEU 24 -6.718 0.284 -3.911
164 1HG LEU 24 1HG LEU 24 -7.184 -2.389 -3.261
165 H ARG 25 H ARG 25 -2.865 -4.714 -3.017
166 HA ARG 25 HA ARG 25 -3.294 -6.304 -5.326
167 1HB ARG 25 1HB ARG 25 -1.059 -5.799 -4.645
168 2HB ARG 25 2HB ARG 25 -1.289 -6.524 -3.047
169 1HG ARG 25 1HG ARG 25 -1.483 -8.763 -4.044
170 2HG ARG 25 2HG ARG 25 -1.323 -8.085 -5.667
171 1HD ARG 25 1HD ARG 25 0.922 -8.199 -5.520
172 2HD ARG 25 2HD ARG 25 0.920 -7.199 -4.071
173 HE ARG 25 HNE ARG 25 1.279 -9.059 -2.795
174 1HH1 ARG 25 2HH2 ARG 25 0.058 -10.228 -5.854
175 2HH1 ARG 25 1HH2 ARG 25 0.204 -11.909 -5.410
176 1HH2 ARG 25 2HH1 ARG 25 1.459 -11.230 -2.257
177 2HH2 ARG 25 1HH1 ARG 25 0.933 -12.452 -3.378
178 H ARG 26 H ARG 26 -3.774 -7.209 -1.942
179 HA ARG 26 HA ARG 26 -4.339 -10.038 -2.557
180 1HB ARG 26 1HB ARG 26 -5.074 -8.817 0.103
181 2HB ARG 26 2HB ARG 26 -4.435 -10.413 -0.283
182 1HG ARG 26 1HG ARG 26 -2.252 -9.016 -0.950
183 2HG ARG 26 2HG ARG 26 -3.041 -7.775 0.019
184 1HD ARG 26 1HD ARG 26 -2.237 -8.638 1.881
185 2HD ARG 26 2HD ARG 26 -3.082 -10.155 1.594
186 HE ARG 26 HNE ARG 26 -0.262 -9.572 1.206
187 1HH1 ARG 26 2HH2 ARG 26 -2.787 -11.630 0.025
188 2HH1 ARG 26 1HH2 ARG 26 -1.719 -12.885 -0.559
189 1HH2 ARG 26 2HH1 ARG 26 1.139 -11.246 0.613
190 2HH2 ARG 26 1HH1 ARG 26 0.513 -12.697 -0.130
191 H TYR 27 H TYR 27 -6.092 -7.153 -1.507
192 HA TYR 27 HA TYR 27 -8.708 -8.118 -1.440
193 1HB TYR 27 1HB TYR 27 -7.655 -5.757 -0.910
194 2HB TYR 27 2HB TYR 27 -8.101 -5.387 -2.568
195 HD1 TYR 27 HD1 TYR 27 -9.556 -6.968 0.530
196 HD2 TYR 27 HD2 TYR 27 -10.233 -4.403 -2.873
197 HE1 TYR 27 HE1 TYR 27 -11.833 -6.453 1.378
198 HE2 TYR 27 HE2 TYR 27 -12.506 -3.853 -1.991
199 HH TYR 27 HH TYR 27 -13.514 -4.646 1.198
200 H ILE 28 H ILE 28 -6.906 -6.920 -4.293
201 HA ILE 28 HA ILE 28 -8.873 -7.234 -6.282
202 HB ILE 28 HB ILE 28 -5.856 -7.365 -6.243
203 1HG1 ILE 28 1HG1 ILE 28 -7.713 -5.500 -7.763
204 2HG1 ILE 28 2HG1 ILE 28 -7.302 -5.220 -6.072
205 1HG2 ILE 28 1HG2 ILE 28 -7.635 -8.078 -8.574
206 2HG2 ILE 28 2HG2 ILE 28 -6.043 -7.340 -8.838
207 3HG2 ILE 28 3HG2 ILE 28 -6.163 -8.887 -8.008
208 1HD1 ILE 28 1HD1 ILE 28 -5.230 -5.402 -8.305
209 2HD1 ILE 28 2HD1 ILE 28 -5.851 -3.914 -7.578
210 3HD1 ILE 28 3HD1 ILE 28 -4.923 -5.059 -6.591
211 H ASN 29 H ASN 29 -6.482 -9.752 -5.293
212 HA ASN 29 HA ASN 29 -7.568 -11.808 -6.975
213 1HB ASN 29 1HB ASN 29 -5.293 -11.671 -5.777
214 2HB ASN 29 2HB ASN 29 -6.128 -12.204 -4.317
215 1HD2 ASN 29 1HD2 ASN 29 -4.042 -13.424 -6.430
216 2HD2 ASN 29 2HD2 ASN 29 -4.772 -15.033 -6.557
217 H MET 30 H MET 30 -8.302 -10.783 -3.663
218 HA MET 30 HA MET 30 -10.371 -12.742 -3.124
219 1HB MET 30 1HB MET 30 -9.326 -10.207 -1.859
220 2HB MET 30 2HB MET 30 -10.840 -10.881 -1.282
221 1HG MET 30 1HG MET 30 -8.641 -12.866 -1.620
222 2HG MET 30 2HG MET 30 -8.342 -11.633 -0.402
223 1HE MET 30 1HE MET 30 -10.099 -10.813 1.138
224 2HE MET 30 2HE MET 30 -11.115 -11.892 2.114
225 3HE MET 30 3HE MET 30 -9.341 -12.004 2.217
226 H LEU 31 H LEU 31 -10.457 -9.978 -5.133
227 HA LEU 31 HA LEU 31 -13.427 -9.896 -4.990
228 1HB LEU 31 1HB LEU 31 -11.710 -7.818 -4.683
229 2HB LEU 31 2HB LEU 31 -11.840 -7.761 -6.416
230 1HD1 LEU 31 1HD1 LEU 31 -13.194 -6.909 -3.264
231 2HD1 LEU 31 2HD1 LEU 31 -12.982 -5.534 -4.357
232 3HD1 LEU 31 3HD1 LEU 31 -14.616 -6.047 -3.861
233 1HD2 LEU 31 1HD2 LEU 31 -15.211 -6.572 -6.641
234 2HD2 LEU 31 2HD2 LEU 31 -13.773 -5.534 -6.532
235 3HD2 LEU 31 3HD2 LEU 31 -13.727 -7.040 -7.470
236 1HG LEU 31 1HG LEU 31 -14.477 -8.069 -5.107
237 H THR 32 H THR 32 -11.131 -11.447 -6.685
238 HA THR 32 HA THR 32 -10.853 -12.320 -8.748
239 HB THR 32 HB THR 32 -13.881 -12.192 -8.924
240 HG1 THR 32 HG1 THR 32 -13.773 -14.111 -7.755
241 1HG2 THR 32 1HG2 THR 32 -11.833 -14.211 -9.960
242 2HG2 THR 32 2HG2 THR 32 -13.587 -14.492 -9.916
243 3HG2 THR 32 3HG2 THR 32 -12.937 -13.224 -10.948
244 H ARG 33 H ARG 33 -10.879 -9.365 -8.545
245 HA ARG 33 HA ARG 33 -11.499 -8.637 -11.387
246 1HB ARG 33 1HB ARG 33 -13.126 -7.724 -9.732
247 2HB ARG 33 2HB ARG 33 -11.809 -6.807 -9.003
248 1HG ARG 33 1HG ARG 33 -11.594 -6.277 -11.805
249 2HG ARG 33 2HG ARG 33 -13.326 -6.342 -11.505
250 1HD ARG 33 1HD ARG 33 -12.537 -4.064 -11.278
251 2HD ARG 33 2HD ARG 33 -13.046 -4.666 -9.686
252 HE ARG 33 HNE ARG 33 -10.223 -5.129 -10.156
253 1HH1 ARG 33 2HH2 ARG 33 -12.480 -2.787 -8.942
254 2HH1 ARG 33 1HH2 ARG 33 -11.282 -1.901 -8.023
255 1HH2 ARG 33 2HH1 ARG 33 -8.684 -3.934 -9.102
256 2HH2 ARG 33 1HH1 ARG 33 -9.136 -2.573 -8.109
257 HA PRO 34 HA PRO 34 -7.013 -7.933 -10.694
258 1HB PRO 34 1HB PRO 34 -6.224 -8.472 -13.291
259 2HB PRO 34 2HB PRO 34 -6.343 -9.656 -11.961
260 1HG PRO 34 1HG PRO 34 -8.200 -9.241 -14.258
261 2HG PRO 34 2HG PRO 34 -7.868 -10.724 -13.314
262 1HD PRO 34 1HD PRO 34 -10.086 -8.990 -13.045
263 2HD PRO 34 2HD PRO 34 -9.611 -10.273 -11.895
264 H ARG 35 H ARG 35 -5.558 -6.363 -11.622
265 HA ARG 35 HA ARG 35 -6.730 -3.809 -12.097
266 1HB ARG 35 1HB ARG 35 -4.468 -3.014 -12.473
267 2HB ARG 35 2HB ARG 35 -4.500 -4.136 -11.112
268 1HG ARG 35 1HG ARG 35 -3.853 -5.935 -12.957
269 2HG ARG 35 2HG ARG 35 -3.349 -4.532 -13.893
270 1HD ARG 35 1HD ARG 35 -1.708 -3.909 -12.258
271 2HD ARG 35 2HD ARG 35 -2.374 -5.002 -11.044
272 HE ARG 35 HNE ARG 35 -0.487 -5.661 -13.118
273 1HH1 ARG 35 2HH2 ARG 35 -2.920 -7.064 -11.061
274 2HH1 ARG 35 1HH2 ARG 35 -2.456 -8.716 -11.386
275 1HH2 ARG 35 2HH1 ARG 35 0.131 -7.818 -13.512
276 2HH2 ARG 35 1HH1 ARG 35 -0.820 -9.106 -12.830
277 H TYR 36 H TYR 36 -7.523 -2.895 -13.844
278 HA TYR 36 HA TYR 36 -7.921 -4.366 -16.225
279 1HB TYR 36 1HB TYR 36 -9.304 -2.477 -15.069
280 2HB TYR 36 2HB TYR 36 -8.301 -1.370 -15.986
281 HD1 TYR 36 HD1 TYR 36 -10.409 -4.462 -16.381
282 HD2 TYR 36 HD2 TYR 36 -9.066 -0.770 -18.156
283 HE1 TYR 36 HE1 TYR 36 -11.972 -4.819 -18.286
284 HE2 TYR 36 HE2 TYR 36 -10.656 -1.121 -20.062
285 HH TYR 36 HH TYR 36 -12.170 -4.039 -20.747
286 1HN NH2 37 1HN NH2 37 -6.150 -4.910 -17.549
287 2HN NH2 37 2HN NH2 37 -5.053 -3.652 -18.141
Start of MODEL 11
1 1H ALA 1 1H ALA 1 2.837 0.446 16.752
2 2H ALA 1 2H ALA 1 4.241 -0.411 16.849
3 3H ALA 1 3H ALA 1 3.660 0.050 15.381
4 HA ALA 1 HA ALA 1 2.074 -1.492 15.278
5 1HB ALA 1 1HB ALA 1 4.567 -2.521 16.471
6 2HB ALA 1 2HB ALA 1 3.163 -3.583 16.702
7 3HB ALA 1 3HB ALA 1 3.628 -3.078 15.071
8 HA PRO 2 HA PRO 2 0.215 -2.575 19.475
9 1HB PRO 2 1HB PRO 2 1.329 -1.792 21.875
10 2HB PRO 2 2HB PRO 2 1.763 -3.264 20.983
11 1HG PRO 2 1HG PRO 2 3.243 -0.643 21.110
12 2HG PRO 2 2HG PRO 2 3.888 -2.314 21.078
13 1HD PRO 2 1HD PRO 2 3.709 -0.599 18.896
14 2HD PRO 2 2HD PRO 2 3.853 -2.376 18.791
15 H LEU 3 H LEU 3 -0.396 -0.430 17.950
16 HA LEU 3 HA LEU 3 -1.985 1.296 19.592
17 1HB LEU 3 1HB LEU 3 -0.997 3.438 18.750
18 2HB LEU 3 2HB LEU 3 -0.072 2.619 19.967
19 1HD1 LEU 3 1HD1 LEU 3 3.032 2.374 18.138
20 2HD1 LEU 3 2HD1 LEU 3 2.245 2.476 19.715
21 3HD1 LEU 3 3HD1 LEU 3 2.034 1.027 18.737
22 1HD2 LEU 3 1HD2 LEU 3 1.701 2.491 16.049
23 2HD2 LEU 3 2HD2 LEU 3 0.668 1.145 16.581
24 3HD2 LEU 3 3HD2 LEU 3 -0.049 2.693 16.109
25 1HG LEU 3 1HG LEU 3 1.096 3.802 17.991
26 H GLU 4 H GLU 4 -3.184 2.892 18.187
27 HA GLU 4 HA GLU 4 -3.064 2.693 15.344
28 1HB GLU 4 1HB GLU 4 -4.472 0.565 16.414
29 2HB GLU 4 2HB GLU 4 -5.773 1.673 16.055
30 1HG GLU 4 1HG GLU 4 -4.988 1.877 13.725
31 2HG GLU 4 2HG GLU 4 -3.608 0.835 14.071
32 HA PRO 5 HA PRO 5 -4.979 6.500 17.157
33 1HB PRO 5 1HB PRO 5 -3.336 8.345 15.879
34 2HB PRO 5 2HB PRO 5 -3.042 7.627 17.483
35 1HG PRO 5 1HG PRO 5 -1.718 7.007 14.884
36 2HG PRO 5 2HG PRO 5 -1.096 6.837 16.549
37 1HD PRO 5 1HD PRO 5 -2.122 4.774 14.888
38 2HD PRO 5 2HD PRO 5 -1.763 4.652 16.631
39 H GLU 6 H GLU 6 -4.825 5.064 14.216
40 HA GLU 6 HA GLU 6 -5.659 5.217 12.153
41 1HB GLU 6 1HB GLU 6 -7.812 6.851 13.535
42 2HB GLU 6 2HB GLU 6 -7.877 6.360 11.843
43 1HG GLU 6 1HG GLU 6 -7.484 3.948 12.701
44 2HG GLU 6 2HG GLU 6 -7.920 4.571 14.291
45 H TYR 7 H TYR 7 -6.338 6.675 10.292
46 HA TYR 7 HA TYR 7 -5.252 9.372 10.342
47 1HB TYR 7 1HB TYR 7 -3.259 7.712 10.161
48 2HB TYR 7 2HB TYR 7 -3.771 7.458 8.514
49 HD1 TYR 7 HD1 TYR 7 -1.769 9.394 10.683
50 HD2 TYR 7 HD2 TYR 7 -4.159 9.759 7.106
51 HE1 TYR 7 HE1 TYR 7 -0.554 11.473 10.085
52 HE2 TYR 7 HE2 TYR 7 -2.937 11.845 6.514
53 HH TYR 7 HH TYR 7 -0.891 13.515 8.735
54 HA PRO 8 HA PRO 8 -8.472 8.657 7.132
55 1HB PRO 8 1HB PRO 8 -9.957 10.940 7.595
56 2HB PRO 8 2HB PRO 8 -10.197 9.375 8.421
57 1HG PRO 8 1HG PRO 8 -8.898 11.861 9.461
58 2HG PRO 8 2HG PRO 8 -9.781 10.582 10.347
59 1HD PRO 8 1HD PRO 8 -6.966 10.877 10.137
60 2HD PRO 8 2HD PRO 8 -7.830 9.433 10.741
61 H GLY 9 H GLY 9 -8.181 9.266 5.109
62 1HA GLY 9 1HA GLY 9 -8.000 10.974 3.380
63 2HA GLY 9 2HA GLY 9 -6.864 11.852 4.408
64 H ASP 10 H ASP 10 -6.412 11.092 1.728
65 HA ASP 10 HA ASP 10 -4.367 8.950 1.832
66 1HB ASP 10 1HB ASP 10 -5.727 10.314 -0.517
67 2HB ASP 10 2HB ASP 10 -4.522 9.027 -0.618
68 H ASN 11 H ASN 11 -2.836 10.173 2.971
69 HA ASN 11 HA ASN 11 -0.926 11.489 1.297
70 1HB ASN 11 1HB ASN 11 -2.889 13.257 2.444
71 2HB ASN 11 2HB ASN 11 -1.401 13.522 3.334
72 1HD2 ASN 11 1HD2 ASN 11 -2.769 13.387 0.090
73 2HD2 ASN 11 2HD2 ASN 11 -1.559 14.520 -0.596
74 H ALA 12 H ALA 12 0.608 10.050 2.057
75 HA ALA 12 HA ALA 12 1.769 10.761 4.577
76 1HB ALA 12 1HB ALA 12 1.064 7.817 4.298
77 2HB ALA 12 2HB ALA 12 1.626 8.703 5.737
78 3HB ALA 12 3HB ALA 12 -0.019 8.945 5.138
79 H THR 13 H THR 13 3.793 9.274 4.895
80 HA THR 13 HA THR 13 5.557 9.558 2.729
81 HB THR 13 HB THR 13 7.007 8.025 4.130
82 HG1 THR 13 HG1 THR 13 6.127 7.418 6.128
83 1HG2 THR 13 1HG2 THR 13 6.856 10.515 4.584
84 2HG2 THR 13 2HG2 THR 13 5.642 10.146 5.834
85 3HG2 THR 13 3HG2 THR 13 7.294 9.518 5.983
86 HA PRO 14 HA PRO 14 4.673 6.078 0.211
87 1HB PRO 14 1HB PRO 14 7.123 5.468 -0.921
88 2HB PRO 14 2HB PRO 14 6.093 6.850 -1.381
89 1HG PRO 14 1HG PRO 14 8.570 6.836 0.301
90 2HG PRO 14 2HG PRO 14 7.943 8.111 -0.786
91 1HD PRO 14 1HD PRO 14 7.706 8.042 2.017
92 2HD PRO 14 2HD PRO 14 6.743 9.073 0.920
93 H GLU 15 H GLU 15 6.704 5.714 2.941
94 HA GLU 15 HA GLU 15 6.891 2.787 2.808
95 1HB GLU 15 1HB GLU 15 7.987 2.980 4.956
96 2HB GLU 15 2HB GLU 15 8.667 4.171 3.841
97 1HG GLU 15 1HG GLU 15 7.219 5.917 4.831
98 2HG GLU 15 2HG GLU 15 6.595 4.762 6.011
99 H GLN 16 H GLN 16 4.496 5.114 3.839
100 HA GLN 16 HA GLN 16 3.267 3.234 5.759
101 1HB GLN 16 1HB GLN 16 3.418 5.990 5.738
102 2HB GLN 16 2HB GLN 16 1.844 5.746 5.001
103 1HG GLN 16 1HG GLN 16 1.329 5.878 7.264
104 2HG GLN 16 2HG GLN 16 1.365 4.134 6.998
105 1HE2 GLN 16 1HE2 GLN 16 2.571 3.002 8.601
106 2HE2 GLN 16 2HE2 GLN 16 3.877 3.800 9.480
107 H MET 17 H MET 17 2.285 4.986 2.771
108 HA MET 17 HA MET 17 -0.129 3.488 2.401
109 1HB MET 17 1HB MET 17 1.274 5.608 0.998
110 2HB MET 17 2HB MET 17 0.878 4.343 -0.156
111 1HG MET 17 1HG MET 17 -1.511 4.479 1.128
112 2HG MET 17 2HG MET 17 -0.933 6.116 1.427
113 1HE MET 17 1HE MET 17 -2.438 4.167 -2.397
114 2HE MET 17 2HE MET 17 -1.883 3.361 -0.914
115 3HE MET 17 3HE MET 17 -3.350 4.368 -0.885
116 H ALA 18 H ALA 18 3.180 2.626 1.684
117 HA ALA 18 HA ALA 18 2.856 0.621 -0.259
118 1HB ALA 18 1HB ALA 18 4.767 0.895 2.100
119 2HB ALA 18 2HB ALA 18 4.930 -0.339 0.830
120 3HB ALA 18 3HB ALA 18 5.032 1.371 0.405
121 H GLN 19 H GLN 19 2.101 0.519 3.219
122 HA GLN 19 HA GLN 19 1.675 -2.338 3.377
123 1HB GLN 19 1HB GLN 19 1.633 -0.030 5.127
124 2HB GLN 19 2HB GLN 19 0.120 -0.884 5.346
125 1HG GLN 19 1HG GLN 19 2.690 -2.489 5.328
126 2HG GLN 19 2HG GLN 19 2.359 -1.449 6.705
127 1HE2 GLN 19 1HE2 GLN 19 1.296 -2.458 8.379
128 2HE2 GLN 19 2HE2 GLN 19 0.203 -3.825 8.111
129 H TYR 20 H TYR 20 -0.605 0.417 3.106
130 HA TYR 20 HA TYR 20 -2.989 -1.097 2.703
131 1HB TYR 20 1HB TYR 20 -2.085 1.730 2.206
132 2HB TYR 20 2HB TYR 20 -3.505 1.186 1.341
133 HD1 TYR 20 HD1 TYR 20 -5.585 0.645 2.432
134 HD2 TYR 20 HD2 TYR 20 -2.153 1.918 4.713
135 HE1 TYR 20 HE1 TYR 20 -7.056 1.075 4.387
136 HE2 TYR 20 HE2 TYR 20 -3.642 2.355 6.680
137 HH TYR 20 HH TYR 20 -7.058 1.496 6.722
138 H ALA 21 H ALA 21 -0.684 0.241 0.271
139 HA ALA 21 HA ALA 21 -2.035 -0.676 -2.050
140 1HB ALA 21 1HB ALA 21 0.924 -0.234 -1.465
141 2HB ALA 21 2HB ALA 21 0.246 -0.493 -3.088
142 3HB ALA 21 3HB ALA 21 -0.225 0.939 -2.147
143 H ALA 22 H ALA 22 0.458 -2.369 -0.032
144 HA ALA 22 HA ALA 22 0.472 -4.783 -1.541
145 1HB ALA 22 1HB ALA 22 2.133 -4.144 0.228
146 2HB ALA 22 2HB ALA 22 0.894 -4.471 1.460
147 3HB ALA 22 3HB ALA 22 1.478 -5.782 0.416
148 H GLU 23 H GLU 23 -1.682 -3.722 1.153
149 HA GLU 23 HA GLU 23 -3.226 -6.100 1.290
150 1HB GLU 23 1HB GLU 23 -3.235 -4.123 2.894
151 2HB GLU 23 2HB GLU 23 -4.360 -3.332 1.775
152 1HG GLU 23 1HG GLU 23 -5.907 -5.259 1.954
153 2HG GLU 23 2HG GLU 23 -4.784 -6.070 3.049
154 H LEU 24 H LEU 24 -3.647 -3.228 -0.797
155 HA LEU 24 HA LEU 24 -6.037 -3.976 -2.063
156 1HB LEU 24 1HB LEU 24 -4.275 -1.854 -2.284
157 2HB LEU 24 2HB LEU 24 -4.015 -2.656 -3.815
158 1HD1 LEU 24 1HD1 LEU 24 -7.633 -3.207 -3.934
159 2HD1 LEU 24 2HD1 LEU 24 -7.273 -2.110 -5.281
160 3HD1 LEU 24 3HD1 LEU 24 -6.205 -3.471 -4.952
161 1HD2 LEU 24 1HD2 LEU 24 -7.828 -0.954 -2.840
162 2HD2 LEU 24 2HD2 LEU 24 -7.031 -2.023 -1.673
163 3HD2 LEU 24 3HD2 LEU 24 -6.366 -0.413 -1.995
164 1HG LEU 24 1HG LEU 24 -5.643 -0.991 -4.169
165 H ARG 25 H ARG 25 -2.704 -4.823 -3.115
166 HA ARG 25 HA ARG 25 -3.345 -6.424 -5.376
167 1HB ARG 25 1HB ARG 25 -1.085 -5.969 -4.984
168 2HB ARG 25 2HB ARG 25 -1.119 -6.545 -3.332
169 1HG ARG 25 1HG ARG 25 -1.623 -8.548 -5.551
170 2HG ARG 25 2HG ARG 25 0.013 -7.949 -5.279
171 1HD ARG 25 1HD ARG 25 -0.142 -8.575 -2.884
172 2HD ARG 25 2HD ARG 25 -1.722 -9.312 -3.181
173 HE ARG 25 HNE ARG 25 -0.295 -10.645 -4.985
174 1HH1 ARG 25 2HH2 ARG 25 0.531 -9.967 -1.667
175 2HH1 ARG 25 1HH2 ARG 25 1.529 -11.376 -1.471
176 1HH2 ARG 25 2HH1 ARG 25 0.913 -12.529 -4.708
177 2HH2 ARG 25 1HH1 ARG 25 1.684 -12.854 -3.190
178 H ARG 26 H ARG 26 -3.686 -7.253 -1.981
179 HA ARG 26 HA ARG 26 -4.367 -10.071 -2.529
180 1HB ARG 26 1HB ARG 26 -5.009 -8.786 0.123
181 2HB ARG 26 2HB ARG 26 -4.431 -10.411 -0.254
182 1HG ARG 26 1HG ARG 26 -2.220 -9.138 -0.994
183 2HG ARG 26 2HG ARG 26 -2.917 -7.824 -0.039
184 1HD ARG 26 1HD ARG 26 -2.402 -10.598 1.015
185 2HD ARG 26 2HD ARG 26 -1.235 -9.264 1.121
186 HE ARG 26 HNE ARG 26 -3.455 -8.149 2.247
187 1HH1 ARG 26 2HH2 ARG 26 -1.711 -11.089 2.925
188 2HH1 ARG 26 1HH2 ARG 26 -2.225 -11.168 4.590
189 1HH2 ARG 26 2HH1 ARG 26 -3.962 -8.160 4.445
190 2HH2 ARG 26 1HH1 ARG 26 -3.518 -9.548 5.401
191 H TYR 27 H TYR 27 -6.078 -7.159 -1.432
192 HA TYR 27 HA TYR 27 -8.719 -8.065 -1.384
193 1HB TYR 27 1HB TYR 27 -7.523 -5.699 -0.929
194 2HB TYR 27 2HB TYR 27 -8.132 -5.347 -2.531
195 HD1 TYR 27 HD1 TYR 27 -8.879 -5.503 0.982
196 HD2 TYR 27 HD2 TYR 27 -10.700 -5.707 -2.916
197 HE1 TYR 27 HE1 TYR 27 -11.107 -4.998 1.976
198 HE2 TYR 27 HE2 TYR 27 -12.908 -5.186 -1.937
199 HH TYR 27 HH TYR 27 -14.010 -4.515 -0.004
200 H ILE 28 H ILE 28 -6.833 -6.954 -4.204
201 HA ILE 28 HA ILE 28 -8.764 -7.217 -6.227
202 HB ILE 28 HB ILE 28 -5.773 -7.373 -6.149
203 1HG1 ILE 28 1HG1 ILE 28 -7.674 -5.486 -7.589
204 2HG1 ILE 28 2HG1 ILE 28 -7.123 -5.260 -5.946
205 1HG2 ILE 28 1HG2 ILE 28 -6.097 -7.276 -8.845
206 2HG2 ILE 28 2HG2 ILE 28 -5.747 -8.752 -7.940
207 3HG2 ILE 28 3HG2 ILE 28 -7.391 -8.403 -8.435
208 1HD1 ILE 28 1HD1 ILE 28 -5.640 -3.927 -7.170
209 2HD1 ILE 28 2HD1 ILE 28 -4.707 -5.414 -6.927
210 3HD1 ILE 28 3HD1 ILE 28 -5.498 -5.100 -8.489
211 H ASN 29 H ASN 29 -6.379 -9.769 -5.315
212 HA ASN 29 HA ASN 29 -7.599 -11.762 -6.969
213 1HB ASN 29 1HB ASN 29 -5.269 -11.761 -5.957
214 2HB ASN 29 2HB ASN 29 -6.006 -12.215 -4.414
215 1HD2 ASN 29 1HD2 ASN 29 -5.130 -14.356 -4.259
216 2HD2 ASN 29 2HD2 ASN 29 -5.426 -15.545 -5.533
217 H MET 30 H MET 30 -8.374 -10.603 -3.744
218 HA MET 30 HA MET 30 -10.324 -12.677 -3.150
219 1HB MET 30 1HB MET 30 -8.870 -11.025 -1.603
220 2HB MET 30 2HB MET 30 -10.297 -10.008 -1.752
221 1HG MET 30 1HG MET 30 -10.773 -11.263 0.154
222 2HG MET 30 2HG MET 30 -11.609 -12.187 -1.092
223 1HE MET 30 1HE MET 30 -8.838 -12.201 1.675
224 2HE MET 30 2HE MET 30 -7.643 -13.338 1.011
225 3HE MET 30 3HE MET 30 -7.921 -11.778 0.213
226 H LEU 31 H LEU 31 -10.495 -9.807 -5.046
227 HA LEU 31 HA LEU 31 -13.481 -9.818 -4.959
228 1HB LEU 31 1HB LEU 31 -13.550 -7.568 -5.210
229 2HB LEU 31 2HB LEU 31 -12.119 -7.752 -4.240
230 1HD1 LEU 31 1HD1 LEU 31 -13.591 -6.336 -7.073
231 2HD1 LEU 31 2HD1 LEU 31 -12.156 -5.725 -7.894
232 3HD1 LEU 31 3HD1 LEU 31 -12.679 -7.377 -8.183
233 1HD2 LEU 31 1HD2 LEU 31 -10.339 -6.169 -4.919
234 2HD2 LEU 31 2HD2 LEU 31 -10.558 -5.274 -6.398
235 3HD2 LEU 31 3HD2 LEU 31 -11.839 -5.239 -5.162
236 1HG LEU 31 1HG LEU 31 -10.929 -7.717 -6.659
237 H THR 32 H THR 32 -11.038 -11.044 -6.712
238 HA THR 32 HA THR 32 -10.785 -11.964 -8.761
239 HB THR 32 HB THR 32 -13.767 -11.491 -9.144
240 HG1 THR 32 HG1 THR 32 -13.241 -12.655 -7.302
241 1HG2 THR 32 1HG2 THR 32 -13.524 -13.710 -10.440
242 2HG2 THR 32 2HG2 THR 32 -13.054 -12.235 -11.274
243 3HG2 THR 32 3HG2 THR 32 -11.800 -13.298 -10.588
244 H ARG 33 H ARG 33 -10.272 -9.140 -8.306
245 HA ARG 33 HA ARG 33 -11.411 -7.346 -10.045
246 1HB ARG 33 1HB ARG 33 -9.598 -6.990 -8.191
247 2HB ARG 33 2HB ARG 33 -8.476 -6.969 -9.535
248 1HG ARG 33 1HG ARG 33 -10.916 -5.241 -9.745
249 2HG ARG 33 2HG ARG 33 -9.675 -4.762 -8.605
250 1HD ARG 33 1HD ARG 33 -8.759 -5.488 -11.377
251 2HD ARG 33 2HD ARG 33 -9.699 -4.002 -11.175
252 HE ARG 33 HNE ARG 33 -7.577 -4.169 -9.223
253 1HH1 ARG 33 2HH2 ARG 33 -8.154 -3.353 -12.563
254 2HH1 ARG 33 1HH2 ARG 33 -6.854 -2.190 -12.650
255 1HH2 ARG 33 2HH1 ARG 33 -5.887 -2.671 -9.342
256 2HH2 ARG 33 1HH1 ARG 33 -5.563 -1.865 -10.847
257 HA PRO 34 HA PRO 34 -9.903 -9.288 -13.790
258 1HB PRO 34 1HB PRO 34 -11.742 -8.231 -15.571
259 2HB PRO 34 2HB PRO 34 -12.009 -9.660 -14.533
260 1HG PRO 34 1HG PRO 34 -13.085 -6.895 -14.204
261 2HG PRO 34 2HG PRO 34 -13.756 -8.460 -13.647
262 1HD PRO 34 1HD PRO 34 -12.314 -6.557 -12.099
263 2HD PRO 34 2HD PRO 34 -12.767 -8.209 -11.612
264 H ARG 35 H ARG 35 -8.178 -8.592 -14.831
265 HA ARG 35 HA ARG 35 -7.904 -5.706 -15.516
266 1HB ARG 35 1HB ARG 35 -6.502 -6.745 -13.493
267 2HB ARG 35 2HB ARG 35 -5.516 -7.419 -14.800
268 1HG ARG 35 1HG ARG 35 -5.122 -5.129 -15.691
269 2HG ARG 35 2HG ARG 35 -6.223 -4.475 -14.473
270 1HD ARG 35 1HD ARG 35 -4.198 -4.039 -13.496
271 2HD ARG 35 2HD ARG 35 -4.617 -5.554 -12.714
272 HE ARG 35 HNE ARG 35 -2.454 -5.012 -14.641
273 1HH1 ARG 35 2HH2 ARG 35 -4.158 -7.646 -13.098
274 2HH1 ARG 35 1HH2 ARG 35 -2.829 -8.758 -13.291
275 1HH2 ARG 35 2HH1 ARG 35 -0.750 -6.439 -14.865
276 2HH2 ARG 35 1HH1 ARG 35 -0.872 -8.040 -14.292
277 H TYR 36 H TYR 36 -7.267 -5.301 -17.540
278 HA TYR 36 HA TYR 36 -6.759 -5.571 -19.721
279 1HB TYR 36 1HB TYR 36 -4.819 -7.223 -18.291
280 2HB TYR 36 2HB TYR 36 -5.184 -7.946 -19.829
281 HD1 TYR 36 HD1 TYR 36 -4.262 -4.660 -18.239
282 HD2 TYR 36 HD2 TYR 36 -4.052 -7.166 -21.746
283 HE1 TYR 36 HE1 TYR 36 -2.695 -3.036 -19.319
284 HE2 TYR 36 HE2 TYR 36 -2.501 -5.555 -22.813
285 HH TYR 36 HH TYR 36 -1.414 -3.548 -22.602
286 1HN NH2 37 1HN NH2 37 -6.819 -7.369 -21.693
287 2HN NH2 37 2HN NH2 37 -8.309 -8.291 -21.524
Start of MODEL 12
1 1H ALA 1 1H ALA 1 3.053 12.082 7.150
2 2H ALA 1 2H ALA 1 4.346 12.041 8.182
3 3H ALA 1 3H ALA 1 3.471 10.666 7.855
4 HA ALA 1 HA ALA 1 3.095 11.939 10.040
5 1HB ALA 1 1HB ALA 1 1.837 13.840 9.940
6 2HB ALA 1 2HB ALA 1 2.469 13.976 8.296
7 3HB ALA 1 3HB ALA 1 0.867 13.268 8.573
8 HA PRO 2 HA PRO 2 0.110 8.730 10.274
9 1HB PRO 2 1HB PRO 2 -1.920 9.619 11.957
10 2HB PRO 2 2HB PRO 2 -0.318 9.039 12.486
11 1HG PRO 2 1HG PRO 2 -1.348 11.832 12.359
12 2HG PRO 2 2HG PRO 2 -0.058 11.142 13.386
13 1HD PRO 2 1HD PRO 2 0.243 12.681 11.024
14 2HD PRO 2 2HD PRO 2 1.546 11.806 11.883
15 H LEU 3 H LEU 3 -1.581 11.843 9.811
16 HA LEU 3 HA LEU 3 -3.307 12.531 8.552
17 1HB LEU 3 1HB LEU 3 -2.058 10.442 6.822
18 2HB LEU 3 2HB LEU 3 -3.724 10.746 6.453
19 1HD1 LEU 3 1HD1 LEU 3 -4.515 12.929 5.808
20 2HD1 LEU 3 2HD1 LEU 3 -3.621 14.054 6.853
21 3HD1 LEU 3 3HD1 LEU 3 -3.382 14.069 5.089
22 1HD2 LEU 3 1HD2 LEU 3 -0.662 13.583 5.751
23 2HD2 LEU 3 2HD2 LEU 3 -1.369 13.772 7.373
24 3HD2 LEU 3 3HD2 LEU 3 -0.472 12.294 6.953
25 1HG LEU 3 1HG LEU 3 -2.233 12.021 5.068
26 H GLU 4 H GLU 4 -5.509 11.677 7.499
27 HA GLU 4 HA GLU 4 -6.645 9.635 9.320
28 1HB GLU 4 1HB GLU 4 -7.397 12.524 9.056
29 2HB GLU 4 2HB GLU 4 -8.734 11.410 8.948
30 1HG GLU 4 1HG GLU 4 -8.796 11.457 11.174
31 2HG GLU 4 2HG GLU 4 -7.469 10.327 11.127
32 HA PRO 5 HA PRO 5 -8.677 8.042 5.699
33 1HB PRO 5 1HB PRO 5 -10.928 6.872 6.724
34 2HB PRO 5 2HB PRO 5 -9.286 6.258 7.043
35 1HG PRO 5 1HG PRO 5 -11.071 7.897 8.830
36 2HG PRO 5 2HG PRO 5 -9.930 6.587 9.264
37 1HD PRO 5 1HD PRO 5 -9.465 9.362 9.415
38 2HD PRO 5 2HD PRO 5 -8.210 8.093 9.500
39 H GLU 6 H GLU 6 -9.405 10.885 6.812
40 HA GLU 6 HA GLU 6 -12.036 11.525 5.930
41 1HB GLU 6 1HB GLU 6 -11.365 13.772 6.027
42 2HB GLU 6 2HB GLU 6 -10.622 12.973 7.390
43 1HG GLU 6 1HG GLU 6 -8.491 13.358 6.673
44 2HG GLU 6 2HG GLU 6 -8.856 13.092 4.982
45 H TYR 7 H TYR 7 -11.999 13.391 4.089
46 HA TYR 7 HA TYR 7 -12.125 12.049 1.650
47 1HB TYR 7 1HB TYR 7 -12.405 14.782 2.670
48 2HB TYR 7 2HB TYR 7 -11.627 14.791 1.108
49 HD1 TYR 7 HD1 TYR 7 -14.366 12.556 2.480
50 HD2 TYR 7 HD2 TYR 7 -13.181 15.498 -0.440
51 HE1 TYR 7 HE1 TYR 7 -16.569 12.320 1.361
52 HE2 TYR 7 HE2 TYR 7 -15.408 15.283 -1.551
53 HH TYR 7 HH TYR 7 -17.914 13.056 -0.348
54 HA PRO 8 HA PRO 8 -7.939 11.853 0.239
55 1HB PRO 8 1HB PRO 8 -8.301 11.701 -2.504
56 2HB PRO 8 2HB PRO 8 -8.580 10.349 -1.370
57 1HG PRO 8 1HG PRO 8 -10.588 12.108 -2.732
58 2HG PRO 8 2HG PRO 8 -10.735 10.401 -2.220
59 1HD PRO 8 1HD PRO 8 -11.732 12.673 -0.858
60 2HD PRO 8 2HD PRO 8 -11.582 11.023 -0.185
61 H GLY 9 H GLY 9 -6.315 13.070 -0.947
62 1HA GLY 9 1HA GLY 9 -6.325 15.201 -2.578
63 2HA GLY 9 2HA GLY 9 -6.981 15.960 -1.123
64 H ASP 10 H ASP 10 -4.282 13.681 -1.920
65 HA ASP 10 HA ASP 10 -2.226 15.442 -1.042
66 1HB ASP 10 1HB ASP 10 -1.460 13.924 0.839
67 2HB ASP 10 2HB ASP 10 -2.861 14.915 1.172
68 H ASN 11 H ASN 11 -0.132 14.119 -0.944
69 HA ASN 11 HA ASN 11 -0.034 11.570 -2.308
70 1HB ASN 11 1HB ASN 11 0.416 14.017 -3.885
71 2HB ASN 11 2HB ASN 11 1.864 13.024 -3.842
72 1HD2 ASN 11 1HD2 ASN 11 -1.304 13.259 -5.155
73 2HD2 ASN 11 2HD2 ASN 11 -1.210 11.715 -6.026
74 H ALA 12 H ALA 12 0.723 11.062 -0.201
75 HA ALA 12 HA ALA 12 3.379 12.142 0.565
76 1HB ALA 12 1HB ALA 12 3.141 10.785 2.558
77 2HB ALA 12 2HB ALA 12 1.669 11.750 2.330
78 3HB ALA 12 3HB ALA 12 1.669 10.017 1.921
79 H THR 13 H THR 13 5.226 10.871 0.505
80 HA THR 13 HA THR 13 5.697 9.182 -1.649
81 HB THR 13 HB THR 13 7.783 8.560 -0.344
82 HG1 THR 13 HG1 THR 13 8.041 9.486 1.657
83 1HG2 THR 13 1HG2 THR 13 7.619 10.716 -1.689
84 2HG2 THR 13 2HG2 THR 13 7.189 11.545 -0.176
85 3HG2 THR 13 3HG2 THR 13 8.770 10.758 -0.337
86 HA PRO 14 HA PRO 14 4.155 5.240 -0.363
87 1HB PRO 14 1HB PRO 14 5.674 3.460 -1.816
88 2HB PRO 14 2HB PRO 14 4.442 4.543 -2.500
89 1HG PRO 14 1HG PRO 14 7.427 4.844 -2.559
90 2HG PRO 14 2HG PRO 14 6.209 5.303 -3.787
91 1HD PRO 14 1HD PRO 14 7.423 7.019 -1.914
92 2HD PRO 14 2HD PRO 14 5.948 7.378 -2.856
93 H GLU 15 H GLU 15 5.558 6.305 1.647
94 HA GLU 15 HA GLU 15 7.336 4.218 2.805
95 1HB GLU 15 1HB GLU 15 7.975 5.826 4.418
96 2HB GLU 15 2HB GLU 15 8.034 6.609 2.850
97 1HG GLU 15 1HG GLU 15 6.603 8.223 3.471
98 2HG GLU 15 2HG GLU 15 5.423 7.101 4.078
99 H GLN 16 H GLN 16 4.118 5.416 2.994
100 HA GLN 16 HA GLN 16 3.506 3.603 5.297
101 1HB GLN 16 1HB GLN 16 3.352 6.248 5.565
102 2HB GLN 16 2HB GLN 16 1.847 6.051 4.677
103 1HG GLN 16 1HG GLN 16 1.022 5.820 6.805
104 2HG GLN 16 2HG GLN 16 1.428 4.128 6.534
105 1HE2 GLN 16 1HE2 GLN 16 3.726 3.430 7.383
106 2HE2 GLN 16 2HE2 GLN 16 4.277 4.354 8.781
107 H MET 17 H MET 17 2.070 5.149 2.376
108 HA MET 17 HA MET 17 -0.146 3.410 2.140
109 1HB MET 17 1HB MET 17 1.128 5.493 0.546
110 2HB MET 17 2HB MET 17 0.710 4.136 -0.496
111 1HG MET 17 1HG MET 17 -1.221 5.485 1.426
112 2HG MET 17 2HG MET 17 -1.088 5.817 -0.301
113 1HE MET 17 1HE MET 17 -3.696 5.486 -0.289
114 2HE MET 17 2HE MET 17 -2.912 4.941 -1.793
115 3HE MET 17 3HE MET 17 -4.213 3.967 -1.067
116 H ALA 18 H ALA 18 3.212 2.732 1.479
117 HA ALA 18 HA ALA 18 3.014 0.556 -0.307
118 1HB ALA 18 1HB ALA 18 5.135 -0.188 0.875
119 2HB ALA 18 2HB ALA 18 5.145 1.469 0.258
120 3HB ALA 18 3HB ALA 18 4.910 1.171 1.998
121 H GLN 19 H GLN 19 2.086 0.725 3.106
122 HA GLN 19 HA GLN 19 1.842 -2.159 3.467
123 1HB GLN 19 1HB GLN 19 1.781 0.237 5.079
124 2HB GLN 19 2HB GLN 19 0.273 -0.587 5.356
125 1HG GLN 19 1HG GLN 19 2.871 -2.165 5.410
126 2HG GLN 19 2HG GLN 19 2.507 -1.077 6.741
127 1HE2 GLN 19 1HE2 GLN 19 2.794 -3.777 7.312
128 2HE2 GLN 19 2HE2 GLN 19 1.157 -4.365 7.689
129 H TYR 20 H TYR 20 -0.598 0.481 3.251
130 HA TYR 20 HA TYR 20 -2.876 -1.153 2.924
131 1HB TYR 20 1HB TYR 20 -2.136 1.692 2.330
132 2HB TYR 20 2HB TYR 20 -3.543 1.072 1.494
133 HD1 TYR 20 HD1 TYR 20 -2.713 2.940 4.241
134 HD2 TYR 20 HD2 TYR 20 -5.129 -0.475 3.160
135 HE1 TYR 20 HE1 TYR 20 -4.271 3.451 6.105
136 HE2 TYR 20 HE2 TYR 20 -6.673 0.031 5.049
137 HH TYR 20 HH TYR 20 -6.535 3.018 6.819
138 H ALA 21 H ALA 21 -0.728 0.186 0.359
139 HA ALA 21 HA ALA 21 -2.231 -0.794 -1.840
140 1HB ALA 21 1HB ALA 21 -0.347 -0.214 -3.147
141 2HB ALA 21 2HB ALA 21 -0.291 0.911 -1.781
142 3HB ALA 21 3HB ALA 21 0.792 -0.497 -1.808
143 H ALA 22 H ALA 22 0.412 -2.333 0.057
144 HA ALA 22 HA ALA 22 0.530 -4.796 -1.379
145 1HB ALA 22 1HB ALA 22 1.465 -3.754 1.248
146 2HB ALA 22 2HB ALA 22 1.146 -5.479 1.219
147 3HB ALA 22 3HB ALA 22 2.289 -4.776 0.058
148 H GLU 23 H GLU 23 -1.818 -3.599 0.996
149 HA GLU 23 HA GLU 23 -3.144 -6.161 1.355
150 1HB GLU 23 1HB GLU 23 -3.176 -3.879 2.815
151 2HB GLU 23 2HB GLU 23 -4.612 -3.598 1.826
152 1HG GLU 23 1HG GLU 23 -5.231 -6.079 2.507
153 2HG GLU 23 2HG GLU 23 -4.015 -5.854 3.761
154 H LEU 24 H LEU 24 -3.735 -3.245 -0.638
155 HA LEU 24 HA LEU 24 -6.143 -4.057 -1.845
156 1HB LEU 24 1HB LEU 24 -4.380 -1.874 -2.094
157 2HB LEU 24 2HB LEU 24 -4.384 -2.574 -3.696
158 1HD1 LEU 24 1HD1 LEU 24 -6.578 -2.939 -4.881
159 2HD1 LEU 24 2HD1 LEU 24 -7.668 -3.385 -3.562
160 3HD1 LEU 24 3HD1 LEU 24 -7.937 -1.882 -4.458
161 1HD2 LEU 24 1HD2 LEU 24 -7.691 -0.598 -1.945
162 2HD2 LEU 24 2HD2 LEU 24 -7.694 -2.320 -1.502
163 3HD2 LEU 24 3HD2 LEU 24 -6.373 -1.270 -0.970
164 1HG LEU 24 1HG LEU 24 -6.022 -0.835 -3.535
165 H ARG 25 H ARG 25 -2.822 -4.757 -2.926
166 HA ARG 25 HA ARG 25 -3.391 -6.282 -5.266
167 1HB ARG 25 1HB ARG 25 -1.154 -5.739 -4.798
168 2HB ARG 25 2HB ARG 25 -1.199 -6.396 -3.173
169 1HG ARG 25 1HG ARG 25 -1.595 -8.291 -5.519
170 2HG ARG 25 2HG ARG 25 -0.001 -7.652 -5.196
171 1HD ARG 25 1HD ARG 25 0.333 -9.248 -3.728
172 2HD ARG 25 2HD ARG 25 -0.811 -8.462 -2.644
173 HE ARG 25 HNE ARG 25 -2.493 -9.942 -4.160
174 1HH1 ARG 25 2HH2 ARG 25 0.517 -10.881 -2.682
175 2HH1 ARG 25 1HH2 ARG 25 0.060 -12.522 -2.344
176 1HH2 ARG 25 2HH1 ARG 25 -3.108 -12.112 -3.768
177 2HH2 ARG 25 1HH1 ARG 25 -2.000 -13.194 -2.976
178 H ARG 26 H ARG 26 -3.801 -7.204 -1.900
179 HA ARG 26 HA ARG 26 -4.317 -10.055 -2.513
180 1HB ARG 26 1HB ARG 26 -5.085 -8.826 0.131
181 2HB ARG 26 2HB ARG 26 -4.449 -10.432 -0.241
182 1HG ARG 26 1HG ARG 26 -2.249 -9.179 -0.866
183 2HG ARG 26 2HG ARG 26 -2.999 -7.800 -0.066
184 1HD ARG 26 1HD ARG 26 -3.146 -9.015 2.037
185 2HD ARG 26 2HD ARG 26 -2.457 -10.458 1.278
186 HE ARG 26 HNE ARG 26 -1.048 -8.086 2.195
187 1HH1 ARG 26 2HH2 ARG 26 -0.789 -10.603 -0.193
188 2HH1 ARG 26 1HH2 ARG 26 0.967 -10.573 -0.218
189 1HH2 ARG 26 2HH1 ARG 26 1.198 -7.953 2.013
190 2HH2 ARG 26 1HH1 ARG 26 2.035 -8.985 0.895
191 H TYR 27 H TYR 27 -6.096 -7.171 -1.535
192 HA TYR 27 HA TYR 27 -8.712 -8.116 -1.515
193 1HB TYR 27 1HB TYR 27 -7.651 -5.729 -1.069
194 2HB TYR 27 2HB TYR 27 -8.118 -5.435 -2.737
195 HD1 TYR 27 HD1 TYR 27 -9.239 -5.856 0.699
196 HD2 TYR 27 HD2 TYR 27 -10.576 -5.629 -3.403
197 HE1 TYR 27 HE1 TYR 27 -11.554 -5.368 1.475
198 HE2 TYR 27 HE2 TYR 27 -12.886 -5.143 -2.620
199 HH TYR 27 HH TYR 27 -14.220 -4.725 -0.798
200 H ILE 28 H ILE 28 -6.920 -6.858 -4.374
201 HA ILE 28 HA ILE 28 -8.834 -7.191 -6.380
202 HB ILE 28 HB ILE 28 -5.828 -7.476 -6.335
203 1HG1 ILE 28 1HG1 ILE 28 -7.698 -5.378 -7.536
204 2HG1 ILE 28 2HG1 ILE 28 -6.948 -5.271 -5.965
205 1HG2 ILE 28 1HG2 ILE 28 -7.528 -7.776 -8.832
206 2HG2 ILE 28 2HG2 ILE 28 -5.799 -7.426 -8.841
207 3HG2 ILE 28 3HG2 ILE 28 -6.394 -8.940 -8.176
208 1HD1 ILE 28 1HD1 ILE 28 -5.734 -4.802 -8.620
209 2HD1 ILE 28 2HD1 ILE 28 -5.339 -4.108 -7.035
210 3HD1 ILE 28 3HD1 ILE 28 -4.708 -5.702 -7.480
211 H ASN 29 H ASN 29 -6.512 -9.721 -5.361
212 HA ASN 29 HA ASN 29 -7.611 -11.780 -7.012
213 1HB ASN 29 1HB ASN 29 -5.346 -11.719 -5.834
214 2HB ASN 29 2HB ASN 29 -6.196 -12.142 -4.338
215 1HD2 ASN 29 1HD2 ASN 29 -5.541 -14.327 -4.000
216 2HD2 ASN 29 2HD2 ASN 29 -5.717 -15.515 -5.303
217 H MET 30 H MET 30 -8.396 -10.731 -3.706
218 HA MET 30 HA MET 30 -10.471 -12.724 -3.244
219 1HB MET 30 1HB MET 30 -9.458 -10.244 -1.833
220 2HB MET 30 2HB MET 30 -10.967 -11.001 -1.320
221 1HG MET 30 1HG MET 30 -9.806 -13.161 -1.043
222 2HG MET 30 2HG MET 30 -8.294 -12.431 -1.588
223 1HE MET 30 1HE MET 30 -10.410 -12.613 2.259
224 2HE MET 30 2HE MET 30 -10.757 -10.933 1.786
225 3HE MET 30 3HE MET 30 -11.190 -12.275 0.701
226 H LEU 31 H LEU 31 -10.466 -9.862 -5.083
227 HA LEU 31 HA LEU 31 -13.429 -9.613 -5.068
228 1HB LEU 31 1HB LEU 31 -12.651 -7.502 -4.696
229 2HB LEU 31 2HB LEU 31 -11.107 -7.816 -5.449
230 1HD1 LEU 31 1HD1 LEU 31 -14.306 -7.230 -8.005
231 2HD1 LEU 31 2HD1 LEU 31 -14.597 -7.456 -6.283
232 3HD1 LEU 31 3HD1 LEU 31 -14.309 -5.825 -6.931
233 1HD2 LEU 31 1HD2 LEU 31 -12.268 -5.123 -5.889
234 2HD2 LEU 31 2HD2 LEU 31 -10.772 -5.835 -6.528
235 3HD2 LEU 31 3HD2 LEU 31 -11.956 -5.173 -7.649
236 1HG LEU 31 1HG LEU 31 -12.115 -7.570 -7.679
237 H THR 32 H THR 32 -11.002 -11.224 -6.780
238 HA THR 32 HA THR 32 -10.866 -12.243 -8.811
239 HB THR 32 HB THR 32 -13.860 -11.922 -9.138
240 HG1 THR 32 HG1 THR 32 -13.377 -12.681 -7.052
241 1HG2 THR 32 1HG2 THR 32 -13.822 -14.016 -10.248
242 2HG2 THR 32 2HG2 THR 32 -12.475 -13.134 -10.972
243 3HG2 THR 32 3HG2 THR 32 -12.155 -14.368 -9.742
244 H ARG 33 H ARG 33 -10.798 -9.224 -8.552
245 HA ARG 33 HA ARG 33 -10.651 -8.603 -11.365
246 1HB ARG 33 1HB ARG 33 -13.032 -7.752 -9.795
247 2HB ARG 33 2HB ARG 33 -12.187 -6.392 -10.483
248 1HG ARG 33 1HG ARG 33 -13.334 -6.753 -12.339
249 2HG ARG 33 2HG ARG 33 -12.237 -8.073 -12.671
250 1HD ARG 33 1HD ARG 33 -13.920 -9.564 -12.550
251 2HD ARG 33 2HD ARG 33 -14.276 -9.098 -10.901
252 HE ARG 33 HNE ARG 33 -16.015 -7.744 -11.618
253 1HH1 ARG 33 2HH2 ARG 33 -14.141 -8.601 -14.426
254 2HH1 ARG 33 1HH2 ARG 33 -15.320 -8.020 -15.569
255 1HH2 ARG 33 2HH1 ARG 33 -17.520 -6.945 -13.104
256 2HH2 ARG 33 1HH1 ARG 33 -17.186 -7.064 -14.805
257 HA PRO 34 HA PRO 34 -7.677 -5.744 -9.682
258 1HB PRO 34 1HB PRO 34 -7.193 -4.138 -11.856
259 2HB PRO 34 2HB PRO 34 -6.606 -5.813 -11.685
260 1HG PRO 34 1HG PRO 34 -8.878 -4.775 -13.342
261 2HG PRO 34 2HG PRO 34 -7.789 -6.166 -13.639
262 1HD PRO 34 1HD PRO 34 -10.420 -6.235 -12.557
263 2HD PRO 34 2HD PRO 34 -9.248 -7.587 -12.610
264 H ARG 35 H ARG 35 -7.262 -3.256 -9.733
265 HA ARG 35 HA ARG 35 -9.662 -1.600 -9.772
266 1HB ARG 35 1HB ARG 35 -9.609 -2.890 -7.525
267 2HB ARG 35 2HB ARG 35 -8.240 -1.889 -7.091
268 1HG ARG 35 1HG ARG 35 -9.594 -0.155 -6.584
269 2HG ARG 35 2HG ARG 35 -10.349 -0.179 -8.178
270 1HD ARG 35 1HD ARG 35 -11.834 -2.037 -7.466
271 2HD ARG 35 2HD ARG 35 -11.149 -1.973 -5.842
272 HE ARG 35 HNE ARG 35 -13.165 -0.245 -6.965
273 1HH1 ARG 35 2HH2 ARG 35 -10.516 -0.097 -4.710
274 2HH1 ARG 35 1HH2 ARG 35 -11.090 1.332 -3.894
275 1HH2 ARG 35 2HH1 ARG 35 -14.008 1.508 -5.824
276 2HH2 ARG 35 1HH1 ARG 35 -13.112 2.118 -4.464
277 H TYR 36 H TYR 36 -8.434 -0.504 -11.348
278 HA TYR 36 HA TYR 36 -7.152 1.172 -12.144
279 1HB TYR 36 1HB TYR 36 -8.302 2.038 -9.815
280 2HB TYR 36 2HB TYR 36 -6.633 2.406 -9.487
281 HD1 TYR 36 HD1 TYR 36 -9.626 3.274 -11.335
282 HD2 TYR 36 HD2 TYR 36 -5.378 3.956 -11.067
283 HE1 TYR 36 HE1 TYR 36 -9.896 5.391 -12.607
284 HE2 TYR 36 HE2 TYR 36 -5.646 6.082 -12.366
285 HH TYR 36 HH TYR 36 -8.833 7.373 -13.189
286 1HN NH2 37 1HN NH2 37 -5.341 -0.174 -12.908
287 2HN NH2 37 2HN NH2 37 -3.873 -0.161 -11.917
Start of MODEL 13
1 1H ALA 1 1H ALA 1 -10.160 5.665 21.752
2 2H ALA 1 2H ALA 1 -10.022 4.222 20.965
3 3H ALA 1 3H ALA 1 -9.052 4.574 22.262
4 HA ALA 1 HA ALA 1 -7.921 4.765 20.081
5 1HB ALA 1 1HB ALA 1 -8.479 6.879 18.816
6 2HB ALA 1 2HB ALA 1 -9.769 5.666 18.789
7 3HB ALA 1 3HB ALA 1 -9.894 7.081 19.862
8 HA PRO 2 HA PRO 2 -5.302 7.211 22.635
9 1HB PRO 2 1HB PRO 2 -3.263 7.920 20.897
10 2HB PRO 2 2HB PRO 2 -3.502 6.300 21.568
11 1HG PRO 2 1HG PRO 2 -4.136 7.289 18.813
12 2HG PRO 2 2HG PRO 2 -3.650 5.659 19.355
13 1HD PRO 2 1HD PRO 2 -6.271 6.541 18.772
14 2HD PRO 2 2HD PRO 2 -5.837 5.031 19.619
15 H LEU 3 H LEU 3 -4.614 9.152 19.761
16 HA LEU 3 HA LEU 3 -6.533 11.204 20.212
17 1HB LEU 3 1HB LEU 3 -5.109 12.997 20.862
18 2HB LEU 3 2HB LEU 3 -5.008 11.755 22.087
19 1HD1 LEU 3 1HD1 LEU 3 -2.962 13.104 22.882
20 2HD1 LEU 3 2HD1 LEU 3 -1.597 13.320 21.760
21 3HD1 LEU 3 3HD1 LEU 3 -3.116 14.170 21.463
22 1HD2 LEU 3 1HD2 LEU 3 -2.969 10.436 22.402
23 2HD2 LEU 3 2HD2 LEU 3 -2.554 10.032 20.714
24 3HD2 LEU 3 3HD2 LEU 3 -1.433 10.977 21.686
25 1HG LEU 3 1HG LEU 3 -2.862 12.260 19.968
26 H GLU 4 H GLU 4 -6.853 12.171 18.234
27 HA GLU 4 HA GLU 4 -4.642 12.382 16.359
28 1HB GLU 4 1HB GLU 4 -5.857 11.332 14.519
29 2HB GLU 4 2HB GLU 4 -5.529 10.174 15.794
30 1HG GLU 4 1HG GLU 4 -7.830 10.204 16.541
31 2HG GLU 4 2HG GLU 4 -8.217 11.587 15.509
32 HA PRO 5 HA PRO 5 -7.021 16.063 15.455
33 1HB PRO 5 1HB PRO 5 -6.111 16.709 12.917
34 2HB PRO 5 2HB PRO 5 -5.218 16.991 14.435
35 1HG PRO 5 1HG PRO 5 -4.768 14.896 12.355
36 2HG PRO 5 2HG PRO 5 -3.611 15.633 13.504
37 1HD PRO 5 1HD PRO 5 -4.904 13.113 13.727
38 2HD PRO 5 2HD PRO 5 -3.936 13.932 14.985
39 H GLU 6 H GLU 6 -7.714 13.155 14.045
40 HA GLU 6 HA GLU 6 -9.402 12.231 12.975
41 1HB GLU 6 1HB GLU 6 -10.616 13.670 14.674
42 2HB GLU 6 2HB GLU 6 -11.047 14.742 13.346
43 1HG GLU 6 1HG GLU 6 -12.568 13.282 12.472
44 2HG GLU 6 2HG GLU 6 -11.559 11.871 12.756
45 H TYR 7 H TYR 7 -8.464 11.915 11.031
46 HA TYR 7 HA TYR 7 -9.351 13.696 8.814
47 1HB TYR 7 1HB TYR 7 -6.998 14.224 9.932
48 2HB TYR 7 2HB TYR 7 -6.438 12.955 8.878
49 HD1 TYR 7 HD1 TYR 7 -7.516 13.238 6.308
50 HD2 TYR 7 HD2 TYR 7 -6.864 16.383 9.190
51 HE1 TYR 7 HE1 TYR 7 -7.443 14.925 4.468
52 HE2 TYR 7 HE2 TYR 7 -6.747 18.049 7.354
53 HH TYR 7 HH TYR 7 -6.909 18.395 5.098
54 HA PRO 8 HA PRO 8 -9.586 9.234 7.668
55 1HB PRO 8 1HB PRO 8 -12.178 9.247 6.701
56 2HB PRO 8 2HB PRO 8 -11.723 8.898 8.391
57 1HG PRO 8 1HG PRO 8 -12.940 11.378 7.256
58 2HG PRO 8 2HG PRO 8 -13.049 10.710 8.911
59 1HD PRO 8 1HD PRO 8 -11.365 12.821 8.004
60 2HD PRO 8 2HD PRO 8 -11.293 12.011 9.595
61 H GLY 9 H GLY 9 -9.161 8.455 5.634
62 1HA GLY 9 1HA GLY 9 -9.841 9.236 3.115
63 2HA GLY 9 2HA GLY 9 -8.563 10.383 3.581
64 H ASP 10 H ASP 10 -7.518 9.213 1.711
65 HA ASP 10 HA ASP 10 -5.543 7.400 2.711
66 1HB ASP 10 1HB ASP 10 -7.611 5.865 2.256
67 2HB ASP 10 2HB ASP 10 -7.290 6.136 0.557
68 H ASN 11 H ASN 11 -4.310 9.213 1.907
69 HA ASN 11 HA ASN 11 -3.318 8.857 -0.737
70 1HB ASN 11 1HB ASN 11 -5.629 10.248 -0.977
71 2HB ASN 11 2HB ASN 11 -4.584 11.598 -0.589
72 1HD2 ASN 11 1HD2 ASN 11 -3.359 12.455 -2.328
73 2HD2 ASN 11 2HD2 ASN 11 -3.242 11.559 -3.858
74 H ALA 12 H ALA 12 -1.223 8.953 0.021
75 HA ALA 12 HA ALA 12 -0.099 11.496 0.619
76 1HB ALA 12 1HB ALA 12 0.788 10.319 2.987
77 2HB ALA 12 2HB ALA 12 -0.511 11.509 2.849
78 3HB ALA 12 3HB ALA 12 -0.894 9.783 2.927
79 H THR 13 H THR 13 2.241 10.892 1.614
80 HA THR 13 HA THR 13 3.887 9.867 -0.334
81 HB THR 13 HB THR 13 5.498 9.610 1.599
82 HG1 THR 13 HG1 THR 13 3.825 8.994 3.125
83 1HG2 THR 13 1HG2 THR 13 4.982 11.872 0.505
84 2HG2 THR 13 2HG2 THR 13 3.916 12.186 1.895
85 3HG2 THR 13 3HG2 THR 13 5.645 11.912 2.152
86 HA PRO 14 HA PRO 14 3.430 5.506 -0.273
87 1HB PRO 14 1HB PRO 14 5.957 4.601 -0.964
88 2HB PRO 14 2HB PRO 14 4.756 5.292 -2.086
89 1HG PRO 14 1HG PRO 14 7.212 6.562 -0.958
90 2HG PRO 14 2HG PRO 14 6.371 6.884 -2.504
91 1HD PRO 14 1HD PRO 14 6.210 8.403 -0.122
92 2HD PRO 14 2HD PRO 14 5.144 8.561 -1.548
93 H GLU 15 H GLU 15 5.329 7.020 2.051
94 HA GLU 15 HA GLU 15 6.481 4.973 3.582
95 1HB GLU 15 1HB GLU 15 5.189 7.384 4.860
96 2HB GLU 15 2HB GLU 15 6.673 6.548 5.289
97 1HG GLU 15 1HG GLU 15 7.195 7.593 2.698
98 2HG GLU 15 2HG GLU 15 6.215 8.812 3.488
99 H GLN 16 H GLN 16 3.174 5.724 3.111
100 HA GLN 16 HA GLN 16 2.386 3.688 5.158
101 1HB GLN 16 1HB GLN 16 1.784 6.211 5.554
102 2HB GLN 16 2HB GLN 16 0.541 5.949 4.337
103 1HG GLN 16 1HG GLN 16 -0.785 4.776 5.763
104 2HG GLN 16 2HG GLN 16 0.545 3.772 6.315
105 1HE2 GLN 16 1HE2 GLN 16 -0.663 3.932 8.419
106 2HE2 GLN 16 2HE2 GLN 16 -0.161 5.283 9.431
107 H MET 17 H MET 17 1.603 5.158 1.989
108 HA MET 17 HA MET 17 -0.385 3.356 1.180
109 1HB MET 17 1HB MET 17 1.126 5.463 0.006
110 2HB MET 17 2HB MET 17 1.368 4.069 -1.051
111 1HG MET 17 1HG MET 17 -1.368 4.927 -0.054
112 2HG MET 17 2HG MET 17 -0.650 5.597 -1.513
113 1HE MET 17 1HE MET 17 -3.221 2.147 -1.072
114 2HE MET 17 2HE MET 17 -3.156 3.780 -0.386
115 3HE MET 17 3HE MET 17 -3.666 3.541 -2.071
116 H ALA 18 H ALA 18 3.135 2.777 1.348
117 HA ALA 18 HA ALA 18 3.286 0.355 -0.094
118 1HB ALA 18 1HB ALA 18 4.763 1.599 2.230
119 2HB ALA 18 2HB ALA 18 5.093 -0.084 1.818
120 3HB ALA 18 3HB ALA 18 5.338 1.184 0.599
121 H GLN 19 H GLN 19 1.785 0.928 3.064
122 HA GLN 19 HA GLN 19 1.636 -1.936 3.731
123 1HB GLN 19 1HB GLN 19 1.470 0.566 5.139
124 2HB GLN 19 2HB GLN 19 -0.102 -0.184 5.313
125 1HG GLN 19 1HG GLN 19 2.344 -1.904 5.782
126 2HG GLN 19 2HG GLN 19 1.974 -0.643 6.952
127 1HE2 GLN 19 1HE2 GLN 19 1.294 -1.969 8.700
128 2HE2 GLN 19 2HE2 GLN 19 -0.183 -2.932 8.534
129 H TYR 20 H TYR 20 -0.622 0.687 2.808
130 HA TYR 20 HA TYR 20 -2.953 -0.956 2.590
131 1HB TYR 20 1HB TYR 20 -2.129 1.752 1.593
132 2HB TYR 20 2HB TYR 20 -3.460 0.951 0.774
133 HD1 TYR 20 HD1 TYR 20 -5.525 1.708 1.419
134 HD2 TYR 20 HD2 TYR 20 -2.435 1.277 4.410
135 HE1 TYR 20 HE1 TYR 20 -7.113 2.441 3.165
136 HE2 TYR 20 HE2 TYR 20 -4.041 2.042 6.157
137 HH TYR 20 HH TYR 20 -6.432 3.743 5.698
138 H ALA 21 H ALA 21 -0.698 0.108 -0.026
139 HA ALA 21 HA ALA 21 -1.795 -1.165 -2.213
140 1HB ALA 21 1HB ALA 21 0.667 -1.341 -2.969
141 2HB ALA 21 2HB ALA 21 0.075 0.273 -2.521
142 3HB ALA 21 3HB ALA 21 1.088 -0.661 -1.392
143 H ALA 22 H ALA 22 0.228 -2.695 0.306
144 HA ALA 22 HA ALA 22 0.512 -5.254 -0.902
145 1HB ALA 22 1HB ALA 22 0.960 -6.047 1.381
146 2HB ALA 22 2HB ALA 22 1.833 -4.529 1.054
147 3HB ALA 22 3HB ALA 22 0.369 -4.530 2.057
148 H GLU 23 H GLU 23 -1.790 -4.445 1.787
149 HA GLU 23 HA GLU 23 -3.402 -6.732 1.454
150 1HB GLU 23 1HB GLU 23 -3.438 -4.496 3.165
151 2HB GLU 23 2HB GLU 23 -4.962 -4.397 2.295
152 1HG GLU 23 1HG GLU 23 -4.841 -7.114 2.972
153 2HG GLU 23 2HG GLU 23 -4.045 -6.347 4.335
154 H LEU 24 H LEU 24 -3.650 -3.578 -0.172
155 HA LEU 24 HA LEU 24 -6.059 -3.963 -1.556
156 1HB LEU 24 1HB LEU 24 -4.253 -1.923 -1.370
157 2HB LEU 24 2HB LEU 24 -3.846 -2.497 -2.968
158 1HD1 LEU 24 1HD1 LEU 24 -7.011 -3.246 -3.623
159 2HD1 LEU 24 2HD1 LEU 24 -7.262 -1.658 -4.357
160 3HD1 LEU 24 3HD1 LEU 24 -5.776 -2.568 -4.709
161 1HD2 LEU 24 1HD2 LEU 24 -6.924 -0.268 -1.526
162 2HD2 LEU 24 2HD2 LEU 24 -7.807 -1.766 -1.857
163 3HD2 LEU 24 3HD2 LEU 24 -6.489 -1.751 -0.677
164 1HG LEU 24 1HG LEU 24 -5.415 -0.710 -3.109
165 H ARG 25 H ARG 25 -2.728 -4.706 -2.749
166 HA ARG 25 HA ARG 25 -3.445 -5.922 -5.218
167 1HB ARG 25 1HB ARG 25 -1.170 -5.499 -4.844
168 2HB ARG 25 2HB ARG 25 -1.135 -6.283 -3.282
169 1HG ARG 25 1HG ARG 25 -1.734 -7.945 -5.742
170 2HG ARG 25 2HG ARG 25 -0.086 -7.437 -5.420
171 1HD ARG 25 1HD ARG 25 0.225 -9.030 -3.880
172 2HD ARG 25 2HD ARG 25 -1.140 -8.460 -2.944
173 HE ARG 25 HNE ARG 25 -2.400 -10.213 -3.707
174 1HH1 ARG 25 2HH2 ARG 25 0.204 -9.849 -5.999
175 2HH1 ARG 25 1HH2 ARG 25 -0.201 -11.293 -6.878
176 1HH2 ARG 25 2HH1 ARG 25 -2.896 -12.096 -4.844
177 2HH2 ARG 25 1HH1 ARG 25 -1.909 -12.572 -6.184
178 H ARG 26 H ARG 26 -3.562 -7.236 -1.954
179 HA ARG 26 HA ARG 26 -4.316 -9.942 -2.817
180 1HB ARG 26 1HB ARG 26 -4.989 -8.966 -0.040
181 2HB ARG 26 2HB ARG 26 -4.468 -10.557 -0.606
182 1HG ARG 26 1HG ARG 26 -2.214 -9.388 -1.176
183 2HG ARG 26 2HG ARG 26 -2.846 -8.072 -0.175
184 1HD ARG 26 1HD ARG 26 -2.668 -9.197 1.783
185 2HD ARG 26 2HD ARG 26 -2.783 -10.796 1.007
186 HE ARG 26 HNE ARG 26 -0.437 -9.517 0.051
187 1HH1 ARG 26 2HH2 ARG 26 -1.582 -10.777 3.087
188 2HH1 ARG 26 1HH2 ARG 26 0.001 -11.203 3.667
189 1HH2 ARG 26 2HH1 ARG 26 1.606 -10.221 0.720
190 2HH2 ARG 26 1HH1 ARG 26 1.777 -10.939 2.293
191 H TYR 27 H TYR 27 -6.065 -7.169 -1.477
192 HA TYR 27 HA TYR 27 -8.668 -8.046 -1.456
193 1HB TYR 27 1HB TYR 27 -7.596 -5.764 -0.792
194 2HB TYR 27 2HB TYR 27 -7.970 -5.271 -2.436
195 HD1 TYR 27 HD1 TYR 27 -9.389 -6.513 0.761
196 HD2 TYR 27 HD2 TYR 27 -10.233 -4.671 -3.049
197 HE1 TYR 27 HE1 TYR 27 -11.713 -6.006 1.518
198 HE2 TYR 27 HE2 TYR 27 -12.547 -4.159 -2.289
199 HH TYR 27 HH TYR 27 -14.148 -4.648 -0.664
200 H ILE 28 H ILE 28 -6.965 -6.632 -4.267
201 HA ILE 28 HA ILE 28 -9.033 -6.839 -6.205
202 HB ILE 28 HB ILE 28 -6.003 -6.956 -6.379
203 1HG1 ILE 28 1HG1 ILE 28 -8.033 -4.831 -7.224
204 2HG1 ILE 28 2HG1 ILE 28 -7.191 -4.840 -5.678
205 1HG2 ILE 28 1HG2 ILE 28 -6.258 -6.626 -8.869
206 2HG2 ILE 28 2HG2 ILE 28 -6.740 -8.221 -8.325
207 3HG2 ILE 28 3HG2 ILE 28 -7.976 -7.015 -8.680
208 1HD1 ILE 28 1HD1 ILE 28 -5.924 -4.476 -8.410
209 2HD1 ILE 28 2HD1 ILE 28 -6.019 -3.316 -7.081
210 3HD1 ILE 28 3HD1 ILE 28 -4.995 -4.757 -6.915
211 H ASN 29 H ASN 29 -6.446 -9.275 -5.589
212 HA ASN 29 HA ASN 29 -7.583 -11.283 -7.285
213 1HB ASN 29 1HB ASN 29 -5.222 -11.188 -6.444
214 2HB ASN 29 2HB ASN 29 -5.804 -11.631 -4.833
215 1HD2 ASN 29 1HD2 ASN 29 -5.272 -13.810 -4.472
216 2HD2 ASN 29 2HD2 ASN 29 -5.479 -15.019 -5.736
217 H MET 30 H MET 30 -8.139 -10.489 -3.898
218 HA MET 30 HA MET 30 -9.930 -12.674 -3.249
219 1HB MET 30 1HB MET 30 -8.873 -10.187 -1.967
220 2HB MET 30 2HB MET 30 -10.444 -10.678 -1.413
221 1HG MET 30 1HG MET 30 -8.185 -12.685 -1.633
222 2HG MET 30 2HG MET 30 -8.321 -11.629 -0.227
223 1HE MET 30 1HE MET 30 -9.988 -11.970 1.766
224 2HE MET 30 2HE MET 30 -11.046 -11.192 0.574
225 3HE MET 30 3HE MET 30 -11.627 -12.604 1.469
226 H LEU 31 H LEU 31 -10.437 -9.864 -5.121
227 HA LEU 31 HA LEU 31 -13.388 -10.037 -4.747
228 1HB LEU 31 1HB LEU 31 -11.956 -7.896 -4.432
229 2HB LEU 31 2HB LEU 31 -11.842 -7.851 -6.176
230 1HD1 LEU 31 1HD1 LEU 31 -14.708 -5.745 -4.361
231 2HD1 LEU 31 2HD1 LEU 31 -14.329 -7.115 -3.304
232 3HD1 LEU 31 3HD1 LEU 31 -13.027 -6.072 -3.909
233 1HD2 LEU 31 1HD2 LEU 31 -13.169 -6.061 -6.878
234 2HD2 LEU 31 2HD2 LEU 31 -14.194 -7.388 -7.474
235 3HD2 LEU 31 3HD2 LEU 31 -14.930 -6.056 -6.588
236 1HG LEU 31 1HG LEU 31 -14.641 -8.207 -5.304
237 H THR 32 H THR 32 -10.997 -11.284 -6.661
238 HA THR 32 HA THR 32 -10.828 -12.186 -8.749
239 HB THR 32 HB THR 32 -13.859 -12.440 -8.606
240 HG1 THR 32 HG1 THR 32 -11.748 -13.834 -7.367
241 1HG2 THR 32 1HG2 THR 32 -13.046 -13.344 -10.728
242 2HG2 THR 32 2HG2 THR 32 -11.707 -14.181 -9.902
243 3HG2 THR 32 3HG2 THR 32 -13.391 -14.685 -9.640
244 H ARG 33 H ARG 33 -11.190 -9.250 -8.489
245 HA ARG 33 HA ARG 33 -11.577 -8.683 -11.308
246 1HB ARG 33 1HB ARG 33 -13.754 -8.285 -9.477
247 2HB ARG 33 2HB ARG 33 -13.090 -6.691 -9.776
248 1HG ARG 33 1HG ARG 33 -13.211 -7.846 -12.346
249 2HG ARG 33 2HG ARG 33 -14.599 -8.543 -11.547
250 1HD ARG 33 1HD ARG 33 -15.765 -6.626 -11.704
251 2HD ARG 33 2HD ARG 33 -14.454 -5.661 -11.007
252 HE ARG 33 HNE ARG 33 -13.666 -6.282 -13.633
253 1HH1 ARG 33 2HH2 ARG 33 -16.192 -4.421 -12.161
254 2HH1 ARG 33 1HH2 ARG 33 -16.271 -3.242 -13.447
255 1HH2 ARG 33 2HH1 ARG 33 -13.791 -4.873 -15.318
256 2HH2 ARG 33 1HH1 ARG 33 -14.894 -3.529 -15.252
257 HA PRO 34 HA PRO 34 -8.469 -5.637 -10.218
258 1HB PRO 34 1HB PRO 34 -8.458 -4.116 -12.502
259 2HB PRO 34 2HB PRO 34 -7.772 -5.760 -12.397
260 1HG PRO 34 1HG PRO 34 -10.349 -4.871 -13.640
261 2HG PRO 34 2HG PRO 34 -9.272 -6.229 -14.092
262 1HD PRO 34 1HD PRO 34 -11.643 -6.324 -12.528
263 2HD PRO 34 2HD PRO 34 -10.478 -7.661 -12.790
264 H ARG 35 H ARG 35 -8.241 -3.167 -10.434
265 HA ARG 35 HA ARG 35 -10.609 -1.505 -10.100
266 1HB ARG 35 1HB ARG 35 -9.302 -2.800 -7.775
267 2HB ARG 35 2HB ARG 35 -9.338 -1.074 -7.602
268 1HG ARG 35 1HG ARG 35 -11.939 -2.327 -8.452
269 2HG ARG 35 2HG ARG 35 -11.333 -2.740 -6.858
270 1HD ARG 35 1HD ARG 35 -12.440 -0.897 -6.209
271 2HD ARG 35 2HD ARG 35 -10.962 -0.072 -6.696
272 HE ARG 35 HNE ARG 35 -12.857 -0.325 -8.882
273 1HH1 ARG 35 2HH2 ARG 35 -12.061 1.665 -6.121
274 2HH1 ARG 35 1HH2 ARG 35 -13.041 3.012 -6.640
275 1HH2 ARG 35 2HH1 ARG 35 -14.133 1.472 -9.542
276 2HH2 ARG 35 1HH1 ARG 35 -14.146 2.890 -8.552
277 H TYR 36 H TYR 36 -9.565 -0.377 -11.795
278 HA TYR 36 HA TYR 36 -8.255 1.237 -12.701
279 1HB TYR 36 1HB TYR 36 -9.026 2.069 -9.985
280 2HB TYR 36 2HB TYR 36 -7.626 2.926 -10.567
281 HD1 TYR 36 HD1 TYR 36 -11.191 2.866 -10.654
282 HD2 TYR 36 HD2 TYR 36 -7.695 3.907 -12.952
283 HE1 TYR 36 HE1 TYR 36 -12.534 4.524 -11.940
284 HE2 TYR 36 HE2 TYR 36 -9.056 5.557 -14.257
285 HH TYR 36 HH TYR 36 -12.356 6.409 -13.393
286 1HN NH2 37 1HN NH2 37 -6.486 -0.280 -13.295
287 2HN NH2 37 2HN NH2 37 -4.957 -0.021 -12.434
Start of MODEL 14
1 1H ALA 1 1H ALA 1 -16.213 -2.843 10.215
2 2H ALA 1 2H ALA 1 -15.794 -1.384 9.564
3 3H ALA 1 3H ALA 1 -17.354 -1.681 9.996
4 HA ALA 1 HA ALA 1 -16.880 -3.690 8.295
5 1HB ALA 1 1HB ALA 1 -18.043 -0.977 7.540
6 2HB ALA 1 2HB ALA 1 -18.372 -2.547 6.779
7 3HB ALA 1 3HB ALA 1 -18.911 -2.239 8.440
8 HA PRO 2 HA PRO 2 -13.142 -1.912 6.340
9 1HB PRO 2 1HB PRO 2 -11.847 -4.265 5.748
10 2HB PRO 2 2HB PRO 2 -11.814 -3.470 7.337
11 1HG PRO 2 1HG PRO 2 -13.391 -5.879 6.487
12 2HG PRO 2 2HG PRO 2 -12.687 -5.482 8.083
13 1HD PRO 2 1HD PRO 2 -15.387 -5.137 7.297
14 2HD PRO 2 2HD PRO 2 -14.612 -4.428 8.743
15 H LEU 3 H LEU 3 -14.988 -1.258 4.828
16 HA LEU 3 HA LEU 3 -14.414 -2.365 2.194
17 1HB LEU 3 1HB LEU 3 -16.591 -3.436 3.727
18 2HB LEU 3 2HB LEU 3 -17.348 -2.501 2.474
19 1HD1 LEU 3 1HD1 LEU 3 -16.567 -6.264 1.536
20 2HD1 LEU 3 2HD1 LEU 3 -15.672 -5.828 2.997
21 3HD1 LEU 3 3HD1 LEU 3 -17.415 -5.472 2.889
22 1HD2 LEU 3 1HD2 LEU 3 -17.040 -2.894 0.218
23 2HD2 LEU 3 2HD2 LEU 3 -16.170 -4.301 -0.408
24 3HD2 LEU 3 3HD2 LEU 3 -17.761 -4.512 0.345
25 1HG LEU 3 1HG LEU 3 -15.073 -4.167 1.544
26 H GLU 4 H GLU 4 -13.748 0.112 2.978
27 HA GLU 4 HA GLU 4 -15.232 1.732 1.081
28 1HB GLU 4 1HB GLU 4 -15.712 3.546 2.714
29 2HB GLU 4 2HB GLU 4 -16.619 2.085 2.983
30 1HG GLU 4 1HG GLU 4 -14.298 1.828 4.640
31 2HG GLU 4 2HG GLU 4 -14.780 3.512 4.753
32 HA PRO 5 HA PRO 5 -11.175 3.607 0.832
33 1HB PRO 5 1HB PRO 5 -11.725 6.013 -0.396
34 2HB PRO 5 2HB PRO 5 -11.719 4.434 -1.230
35 1HG PRO 5 1HG PRO 5 -14.062 6.079 -0.330
36 2HG PRO 5 2HG PRO 5 -13.919 4.977 -1.732
37 1HD PRO 5 1HD PRO 5 -15.135 4.395 0.744
38 2HD PRO 5 2HD PRO 5 -14.654 3.197 -0.493
39 H GLU 6 H GLU 6 -9.951 4.571 2.288
40 HA GLU 6 HA GLU 6 -11.117 6.447 4.256
41 1HB GLU 6 1HB GLU 6 -9.307 4.199 4.439
42 2HB GLU 6 2HB GLU 6 -8.425 5.612 4.954
43 1HG GLU 6 1HG GLU 6 -9.405 4.818 6.904
44 2HG GLU 6 2HG GLU 6 -10.349 6.239 6.456
45 H TYR 7 H TYR 7 -11.146 8.139 2.690
46 HA TYR 7 HA TYR 7 -10.370 10.029 1.631
47 1HB TYR 7 1HB TYR 7 -10.305 10.497 4.081
48 2HB TYR 7 2HB TYR 7 -8.590 10.133 4.077
49 HD1 TYR 7 HD1 TYR 7 -10.997 12.236 2.044
50 HD2 TYR 7 HD2 TYR 7 -7.214 12.032 4.106
51 HE1 TYR 7 HE1 TYR 7 -10.576 14.635 1.514
52 HE2 TYR 7 HE2 TYR 7 -6.827 14.453 3.610
53 HH TYR 7 HH TYR 7 -8.061 16.119 1.373
54 HA PRO 8 HA PRO 8 -6.601 8.204 -0.306
55 1HB PRO 8 1HB PRO 8 -7.291 8.505 -2.936
56 2HB PRO 8 2HB PRO 8 -7.837 7.148 -1.917
57 1HG PRO 8 1HG PRO 8 -9.360 9.607 -2.736
58 2HG PRO 8 2HG PRO 8 -9.951 7.932 -2.513
59 1HD PRO 8 1HD PRO 8 -10.169 10.039 -0.656
60 2HD PRO 8 2HD PRO 8 -10.349 8.302 -0.263
61 H GLY 9 H GLY 9 -5.822 10.041 0.813
62 1HA GLY 9 1HA GLY 9 -5.357 12.610 -0.422
63 2HA GLY 9 2HA GLY 9 -4.505 11.905 0.966
64 H ASP 10 H ASP 10 -2.637 12.987 -0.099
65 HA ASP 10 HA ASP 10 -1.163 11.119 -1.715
66 1HB ASP 10 1HB ASP 10 -2.668 13.017 -3.144
67 2HB ASP 10 2HB ASP 10 -1.114 13.820 -2.971
68 H ASN 11 H ASN 11 1.049 12.240 -2.183
69 HA ASN 11 HA ASN 11 3.023 12.979 -1.211
70 1HB ASN 11 1HB ASN 11 1.107 15.200 -1.269
71 2HB ASN 11 2HB ASN 11 2.291 15.433 -0.007
72 1HD2 ASN 11 1HD2 ASN 11 3.821 16.813 -0.709
73 2HD2 ASN 11 2HD2 ASN 11 4.518 16.708 -2.331
74 H ALA 12 H ALA 12 2.980 11.140 0.283
75 HA ALA 12 HA ALA 12 3.513 12.114 2.971
76 1HB ALA 12 1HB ALA 12 1.302 10.108 2.371
77 2HB ALA 12 2HB ALA 12 2.110 10.191 3.955
78 3HB ALA 12 3HB ALA 12 1.218 11.595 3.336
79 H THR 13 H THR 13 4.813 10.584 4.172
80 HA THR 13 HA THR 13 6.781 9.244 2.634
81 HB THR 13 HB THR 13 7.460 8.327 4.896
82 HG1 THR 13 HG1 THR 13 6.264 8.855 6.626
83 1HG2 THR 13 1HG2 THR 13 8.206 10.613 4.098
84 2HG2 THR 13 2HG2 THR 13 6.837 11.312 4.991
85 3HG2 THR 13 3HG2 THR 13 8.116 10.442 5.860
86 HA PRO 14 HA PRO 14 4.865 5.303 2.034
87 1HB PRO 14 1HB PRO 14 7.002 3.597 1.751
88 2HB PRO 14 2HB PRO 14 6.541 4.848 0.574
89 1HG PRO 14 1HG PRO 14 8.747 4.921 2.615
90 2HG PRO 14 2HG PRO 14 8.716 5.577 0.950
91 1HD PRO 14 1HD PRO 14 8.283 7.039 3.305
92 2HD PRO 14 2HD PRO 14 7.803 7.561 1.665
93 H GLU 15 H GLU 15 4.466 6.009 4.534
94 HA GLU 15 HA GLU 15 5.032 3.684 6.313
95 1HB GLU 15 1HB GLU 15 4.537 5.100 8.123
96 2HB GLU 15 2HB GLU 15 5.530 6.040 7.030
97 1HG GLU 15 1HG GLU 15 4.018 7.679 7.162
98 2HG GLU 15 2HG GLU 15 2.912 6.705 6.217
99 H GLN 16 H GLN 16 2.528 5.129 4.457
100 HA GLN 16 HA GLN 16 0.527 3.156 5.489
101 1HB GLN 16 1HB GLN 16 0.218 5.768 5.911
102 2HB GLN 16 2HB GLN 16 -0.270 5.783 4.224
103 1HG GLN 16 1HG GLN 16 -2.327 5.410 5.147
104 2HG GLN 16 2HG GLN 16 -1.832 3.723 5.055
105 1HE2 GLN 16 1HE2 GLN 16 -0.191 3.297 7.297
106 2HE2 GLN 16 2HE2 GLN 16 -1.030 3.909 8.705
107 H MET 17 H MET 17 1.474 5.040 2.568
108 HA MET 17 HA MET 17 -0.099 3.580 0.751
109 1HB MET 17 1HB MET 17 1.951 5.613 0.626
110 2HB MET 17 2HB MET 17 2.334 4.389 -0.576
111 1HG MET 17 1HG MET 17 -0.405 5.697 -0.312
112 2HG MET 17 2HG MET 17 0.888 6.306 -1.327
113 1HE MET 17 1HE MET 17 -1.963 2.865 -2.318
114 2HE MET 17 2HE MET 17 -0.928 2.563 -0.920
115 3HE MET 17 3HE MET 17 -2.025 3.967 -0.924
116 H ALA 18 H ALA 18 3.108 2.849 2.047
117 HA ALA 18 HA ALA 18 3.558 0.475 0.436
118 1HB ALA 18 1HB ALA 18 5.496 0.198 1.940
119 2HB ALA 18 2HB ALA 18 5.396 1.851 1.307
120 3HB ALA 18 3HB ALA 18 4.880 1.499 2.978
121 H GLN 19 H GLN 19 1.263 0.969 2.751
122 HA GLN 19 HA GLN 19 1.370 -1.816 3.809
123 1HB GLN 19 1HB GLN 19 0.949 0.712 5.137
124 2HB GLN 19 2HB GLN 19 -0.603 -0.105 5.096
125 1HG GLN 19 1HG GLN 19 0.281 -0.895 7.059
126 2HG GLN 19 2HG GLN 19 0.703 -2.203 5.952
127 1HE2 GLN 19 1HE2 GLN 19 1.993 -1.242 8.569
128 2HE2 GLN 19 2HE2 GLN 19 3.667 -0.991 8.033
129 H TYR 20 H TYR 20 -0.908 0.736 2.690
130 HA TYR 20 HA TYR 20 -3.094 -1.041 2.299
131 1HB TYR 20 1HB TYR 20 -2.870 1.642 2.268
132 2HB TYR 20 2HB TYR 20 -2.852 1.377 0.534
133 HD1 TYR 20 HD1 TYR 20 -4.961 1.061 -0.615
134 HD2 TYR 20 HD2 TYR 20 -4.743 0.561 3.666
135 HE1 TYR 20 HE1 TYR 20 -7.456 1.002 -0.477
136 HE2 TYR 20 HE2 TYR 20 -7.223 0.491 3.789
137 HH TYR 20 HH TYR 20 -9.216 0.796 2.601
138 H ALA 21 H ALA 21 -0.638 0.131 -0.107
139 HA ALA 21 HA ALA 21 -1.646 -1.069 -2.399
140 1HB ALA 21 1HB ALA 21 1.244 -0.710 -1.505
141 2HB ALA 21 2HB ALA 21 0.730 -1.054 -3.171
142 3HB ALA 21 3HB ALA 21 0.247 0.466 -2.391
143 H ALA 22 H ALA 22 0.175 -2.660 0.197
144 HA ALA 22 HA ALA 22 0.523 -5.214 -1.104
145 1HB ALA 22 1HB ALA 22 1.984 -4.779 0.697
146 2HB ALA 22 2HB ALA 22 0.673 -4.266 1.776
147 3HB ALA 22 3HB ALA 22 0.832 -5.972 1.332
148 H GLU 23 H GLU 23 -1.666 -4.482 1.695
149 HA GLU 23 HA GLU 23 -3.269 -6.773 1.445
150 1HB GLU 23 1HB GLU 23 -3.203 -5.133 3.370
151 2HB GLU 23 2HB GLU 23 -4.269 -4.095 2.418
152 1HG GLU 23 1HG GLU 23 -5.727 -6.376 2.312
153 2HG GLU 23 2HG GLU 23 -4.823 -6.749 3.765
154 H LEU 24 H LEU 24 -3.736 -3.589 -0.109
155 HA LEU 24 HA LEU 24 -6.111 -3.973 -1.534
156 1HB LEU 24 1HB LEU 24 -4.911 -1.826 -1.335
157 2HB LEU 24 2HB LEU 24 -3.583 -2.477 -2.275
158 1HD1 LEU 24 1HD1 LEU 24 -6.915 -1.259 -2.170
159 2HD1 LEU 24 2HD1 LEU 24 -6.294 -0.075 -3.334
160 3HD1 LEU 24 3HD1 LEU 24 -7.351 -1.391 -3.877
161 1HD2 LEU 24 1HD2 LEU 24 -4.742 -1.135 -5.328
162 2HD2 LEU 24 2HD2 LEU 24 -4.024 -0.353 -3.897
163 3HD2 LEU 24 3HD2 LEU 24 -3.420 -1.926 -4.458
164 1HG LEU 24 1HG LEU 24 -5.688 -2.882 -4.023
165 H ARG 25 H ARG 25 -2.747 -4.597 -2.831
166 HA ARG 25 HA ARG 25 -3.549 -5.751 -5.282
167 1HB ARG 25 1HB ARG 25 -1.281 -5.214 -5.011
168 2HB ARG 25 2HB ARG 25 -1.109 -6.119 -3.517
169 1HG ARG 25 1HG ARG 25 -1.803 -7.643 -6.033
170 2HG ARG 25 2HG ARG 25 -0.159 -7.049 -5.834
171 1HD ARG 25 1HD ARG 25 0.272 -8.301 -3.927
172 2HD ARG 25 2HD ARG 25 -1.425 -8.554 -3.539
173 HE ARG 25 HNE ARG 25 -1.328 -9.872 -5.854
174 1HH1 ARG 25 2HH2 ARG 25 0.788 -10.050 -3.094
175 2HH1 ARG 25 1HH2 ARG 25 1.241 -11.714 -3.395
176 1HH2 ARG 25 2HH1 ARG 25 -0.677 -11.998 -6.253
177 2HH2 ARG 25 1HH1 ARG 25 0.388 -12.799 -5.150
178 H ARG 26 H ARG 26 -3.485 -7.239 -2.099
179 HA ARG 26 HA ARG 26 -4.098 -9.940 -3.098
180 1HB ARG 26 1HB ARG 26 -4.747 -9.230 -0.259
181 2HB ARG 26 2HB ARG 26 -3.996 -10.675 -0.940
182 1HG ARG 26 1HG ARG 26 -1.942 -9.036 -1.372
183 2HG ARG 26 2HG ARG 26 -2.819 -8.025 -0.217
184 1HD ARG 26 1HD ARG 26 -1.306 -9.131 1.127
185 2HD ARG 26 2HD ARG 26 -2.809 -10.019 1.365
186 HE ARG 26 HNE ARG 26 -1.880 -11.876 0.274
187 1HH1 ARG 26 2HH2 ARG 26 0.275 -9.173 -0.150
188 2HH1 ARG 26 1HH2 ARG 26 1.609 -10.108 -0.725
189 1HH2 ARG 26 2HH1 ARG 26 -0.281 -13.108 -0.574
190 2HH2 ARG 26 1HH1 ARG 26 1.290 -12.414 -0.870
191 H TYR 27 H TYR 27 -5.905 -7.333 -1.527
192 HA TYR 27 HA TYR 27 -8.477 -8.310 -1.411
193 1HB TYR 27 1HB TYR 27 -7.449 -5.977 -0.764
194 2HB TYR 27 2HB TYR 27 -7.947 -5.490 -2.379
195 HD1 TYR 27 HD1 TYR 27 -10.240 -4.973 -2.859
196 HD2 TYR 27 HD2 TYR 27 -9.123 -6.870 0.860
197 HE1 TYR 27 HE1 TYR 27 -12.544 -4.632 -1.992
198 HE2 TYR 27 HE2 TYR 27 -11.447 -6.559 1.709
199 HH TYR 27 HH TYR 27 -13.924 -4.880 -0.196
200 H ILE 28 H ILE 28 -6.919 -6.788 -4.242
201 HA ILE 28 HA ILE 28 -9.015 -6.934 -6.106
202 HB ILE 28 HB ILE 28 -6.055 -7.382 -6.634
203 1HG1 ILE 28 1HG1 ILE 28 -5.935 -5.285 -5.701
204 2HG1 ILE 28 2HG1 ILE 28 -6.263 -4.844 -7.336
205 1HG2 ILE 28 1HG2 ILE 28 -6.367 -6.739 -8.868
206 2HG2 ILE 28 2HG2 ILE 28 -7.705 -7.859 -8.577
207 3HG2 ILE 28 3HG2 ILE 28 -7.987 -6.108 -8.532
208 1HD1 ILE 28 1HD1 ILE 28 -7.627 -3.467 -5.907
209 2HD1 ILE 28 2HD1 ILE 28 -8.724 -4.603 -6.732
210 3HD1 ILE 28 3HD1 ILE 28 -8.271 -4.846 -5.032
211 H ASN 29 H ASN 29 -6.624 -9.511 -5.443
212 HA ASN 29 HA ASN 29 -7.749 -11.446 -7.255
213 1HB ASN 29 1HB ASN 29 -5.424 -11.439 -6.145
214 2HB ASN 29 2HB ASN 29 -6.217 -12.007 -4.675
215 1HD2 ASN 29 1HD2 ASN 29 -5.454 -12.867 -8.084
216 2HD2 ASN 29 2HD2 ASN 29 -5.758 -14.579 -7.785
217 H MET 30 H MET 30 -8.197 -10.901 -3.742
218 HA MET 30 HA MET 30 -10.281 -12.854 -3.376
219 1HB MET 30 1HB MET 30 -9.172 -10.534 -1.767
220 2HB MET 30 2HB MET 30 -10.684 -11.291 -1.278
221 1HG MET 30 1HG MET 30 -9.257 -12.573 -0.080
222 2HG MET 30 2HG MET 30 -9.403 -13.547 -1.525
223 1HE MET 30 1HE MET 30 -5.737 -11.677 0.354
224 2HE MET 30 2HE MET 30 -6.898 -10.479 -0.269
225 3HE MET 30 3HE MET 30 -7.417 -11.688 0.920
226 H LEU 31 H LEU 31 -10.474 -9.783 -4.827
227 HA LEU 31 HA LEU 31 -13.412 -9.558 -4.620
228 1HB LEU 31 1HB LEU 31 -12.389 -7.500 -4.291
229 2HB LEU 31 2HB LEU 31 -11.070 -7.860 -5.381
230 1HD1 LEU 31 1HD1 LEU 31 -14.610 -7.192 -5.319
231 2HD1 LEU 31 2HD1 LEU 31 -14.484 -5.751 -6.351
232 3HD1 LEU 31 3HD1 LEU 31 -14.727 -7.342 -7.077
233 1HD2 LEU 31 1HD2 LEU 31 -12.320 -5.084 -7.227
234 2HD2 LEU 31 2HD2 LEU 31 -12.225 -5.126 -5.445
235 3HD2 LEU 31 3HD2 LEU 31 -10.928 -5.818 -6.445
236 1HG LEU 31 1HG LEU 31 -12.484 -7.486 -7.321
237 H THR 32 H THR 32 -11.139 -11.120 -6.638
238 HA THR 32 HA THR 32 -11.190 -12.019 -8.737
239 HB THR 32 HB THR 32 -14.216 -12.001 -8.565
240 HG1 THR 32 HG1 THR 32 -12.305 -13.433 -7.101
241 1HG2 THR 32 1HG2 THR 32 -14.149 -14.068 -9.721
242 2HG2 THR 32 2HG2 THR 32 -13.020 -13.055 -10.625
243 3HG2 THR 32 3HG2 THR 32 -12.400 -14.263 -9.491
244 H ARG 33 H ARG 33 -11.254 -9.060 -8.480
245 HA ARG 33 HA ARG 33 -11.928 -8.421 -11.260
246 1HB ARG 33 1HB ARG 33 -13.794 -7.860 -9.222
247 2HB ARG 33 2HB ARG 33 -12.933 -6.341 -9.381
248 1HG ARG 33 1HG ARG 33 -13.561 -7.292 -12.048
249 2HG ARG 33 2HG ARG 33 -14.967 -7.534 -11.036
250 1HD ARG 33 1HD ARG 33 -14.791 -5.103 -10.307
251 2HD ARG 33 2HD ARG 33 -13.443 -4.912 -11.426
252 HE ARG 33 HNE ARG 33 -14.944 -4.748 -13.167
253 1HH1 ARG 33 2HH2 ARG 33 -16.636 -6.259 -10.528
254 2HH1 ARG 33 1HH2 ARG 33 -18.162 -6.349 -11.368
255 1HH2 ARG 33 2HH1 ARG 33 -16.941 -4.853 -14.258
256 2HH2 ARG 33 1HH1 ARG 33 -18.287 -5.621 -13.479
257 HA PRO 34 HA PRO 34 -8.284 -5.908 -10.606
258 1HB PRO 34 1HB PRO 34 -8.359 -4.266 -12.806
259 2HB PRO 34 2HB PRO 34 -7.914 -5.991 -12.837
260 1HG PRO 34 1HG PRO 34 -10.491 -4.700 -13.656
261 2HG PRO 34 2HG PRO 34 -9.676 -6.145 -14.331
262 1HD PRO 34 1HD PRO 34 -11.809 -6.094 -12.493
263 2HD PRO 34 2HD PRO 34 -10.803 -7.521 -12.884
264 H ARG 35 H ARG 35 -7.747 -3.374 -10.905
265 HA ARG 35 HA ARG 35 -9.826 -1.760 -9.526
266 1HB ARG 35 1HB ARG 35 -8.182 -0.869 -7.988
267 2HB ARG 35 2HB ARG 35 -8.241 -2.611 -7.888
268 1HG ARG 35 1HG ARG 35 -5.974 -2.330 -7.824
269 2HG ARG 35 2HG ARG 35 -6.158 -2.508 -9.569
270 1HD ARG 35 1HD ARG 35 -6.088 -0.059 -9.844
271 2HD ARG 35 2HD ARG 35 -6.101 0.150 -8.082
272 HE ARG 35 HNE ARG 35 -3.883 -1.468 -9.062
273 1HH1 ARG 35 2HH2 ARG 35 -4.880 1.819 -8.381
274 2HH1 ARG 35 1HH2 ARG 35 -3.244 2.419 -8.309
275 1HH2 ARG 35 2HH1 ARG 35 -1.783 -0.665 -8.866
276 2HH2 ARG 35 1HH1 ARG 35 -1.528 1.026 -8.597
277 H TYR 36 H TYR 36 -9.599 0.514 -9.797
278 HA TYR 36 HA TYR 36 -7.959 1.411 -12.115
279 1HB TYR 36 1HB TYR 36 -10.890 1.180 -11.951
280 2HB TYR 36 2HB TYR 36 -10.368 2.809 -12.318
281 HD1 TYR 36 HD1 TYR 36 -10.132 -0.740 -13.477
282 HD2 TYR 36 HD2 TYR 36 -9.440 3.409 -14.433
283 HE1 TYR 36 HE1 TYR 36 -9.692 -1.353 -15.858
284 HE2 TYR 36 HE2 TYR 36 -9.000 2.798 -16.794
285 HH TYR 36 HH TYR 36 -8.625 1.054 -18.239
286 1HN NH2 37 1HN NH2 37 -6.497 2.710 -11.024
287 2HN NH2 37 2HN NH2 37 -7.071 3.977 -9.917
Start of MODEL 15
1 1H ALA 1 1H ALA 1 -5.317 -0.849 12.537
2 2H ALA 1 2H ALA 1 -5.897 -1.058 10.995
3 3H ALA 1 3H ALA 1 -5.470 0.434 11.514
4 HA ALA 1 HA ALA 1 -7.501 -0.950 13.033
5 1HB ALA 1 1HB ALA 1 -6.964 1.178 13.905
6 2HB ALA 1 2HB ALA 1 -6.842 1.923 12.295
7 3HB ALA 1 3HB ALA 1 -8.425 1.497 12.960
8 HA PRO 2 HA PRO 2 -10.166 -1.593 9.587
9 1HB PRO 2 1HB PRO 2 -12.665 -1.515 10.728
10 2HB PRO 2 2HB PRO 2 -11.483 -2.826 10.991
11 1HG PRO 2 1HG PRO 2 -12.210 -0.560 12.825
12 2HG PRO 2 2HG PRO 2 -11.730 -2.236 13.226
13 1HD PRO 2 1HD PRO 2 -10.080 0.042 13.280
14 2HD PRO 2 2HD PRO 2 -9.513 -1.653 13.296
15 H LEU 3 H LEU 3 -9.786 0.153 8.224
16 HA LEU 3 HA LEU 3 -11.747 2.386 8.255
17 1HB LEU 3 1HB LEU 3 -8.735 2.516 7.779
18 2HB LEU 3 2HB LEU 3 -9.836 3.751 7.214
19 1HD1 LEU 3 1HD1 LEU 3 -10.618 5.154 10.596
20 2HD1 LEU 3 2HD1 LEU 3 -11.021 5.290 8.881
21 3HD1 LEU 3 3HD1 LEU 3 -11.642 3.926 9.835
22 1HD2 LEU 3 1HD2 LEU 3 -10.010 2.517 11.006
23 2HD2 LEU 3 2HD2 LEU 3 -8.493 2.114 10.160
24 3HD2 LEU 3 3HD2 LEU 3 -8.578 3.528 11.228
25 1HG LEU 3 1HG LEU 3 -8.726 4.500 9.166
26 H GLU 4 H GLU 4 -12.142 3.213 6.178
27 HA GLU 4 HA GLU 4 -11.618 2.409 3.626
28 1HB GLU 4 1HB GLU 4 -12.881 0.147 5.076
29 2HB GLU 4 2HB GLU 4 -13.709 0.587 3.600
30 1HG GLU 4 1HG GLU 4 -11.992 -0.030 2.214
31 2HG GLU 4 2HG GLU 4 -10.731 0.246 3.405
32 HA PRO 5 HA PRO 5 -16.148 3.829 3.617
33 1HB PRO 5 1HB PRO 5 -17.667 3.926 5.929
34 2HB PRO 5 2HB PRO 5 -17.570 2.523 4.829
35 1HG PRO 5 1HG PRO 5 -16.264 2.918 7.496
36 2HG PRO 5 2HG PRO 5 -16.818 1.410 6.710
37 1HD PRO 5 1HD PRO 5 -14.176 2.383 6.830
38 2HD PRO 5 2HD PRO 5 -14.776 1.078 5.768
39 H GLU 6 H GLU 6 -13.826 4.867 5.790
40 HA GLU 6 HA GLU 6 -14.282 7.653 5.327
41 1HB GLU 6 1HB GLU 6 -14.317 8.304 7.715
42 2HB GLU 6 2HB GLU 6 -15.770 7.461 7.229
43 1HG GLU 6 1HG GLU 6 -15.506 5.800 8.706
44 2HG GLU 6 2HG GLU 6 -13.843 5.505 8.257
45 H TYR 7 H TYR 7 -12.350 8.773 5.614
46 HA TYR 7 HA TYR 7 -10.049 7.915 7.047
47 1HB TYR 7 1HB TYR 7 -8.540 7.350 5.239
48 2HB TYR 7 2HB TYR 7 -9.819 6.180 5.357
49 HD1 TYR 7 HD1 TYR 7 -7.990 8.289 3.141
50 HD2 TYR 7 HD2 TYR 7 -11.877 6.475 3.685
51 HE1 TYR 7 HE1 TYR 7 -8.512 8.683 0.750
52 HE2 TYR 7 HE2 TYR 7 -12.417 6.913 1.327
53 HH TYR 7 HH TYR 7 -11.596 7.570 -0.663
54 HA PRO 8 HA PRO 8 -10.041 12.329 5.694
55 1HB PRO 8 1HB PRO 8 -9.529 13.498 8.132
56 2HB PRO 8 2HB PRO 8 -11.161 13.086 7.533
57 1HG PRO 8 1HG PRO 8 -9.489 11.653 9.571
58 2HG PRO 8 2HG PRO 8 -11.269 11.795 9.459
59 1HD PRO 8 1HD PRO 8 -9.685 9.591 8.638
60 2HD PRO 8 2HD PRO 8 -11.400 9.862 8.214
61 H GLY 9 H GLY 9 -8.303 13.623 5.256
62 1HA GLY 9 1HA GLY 9 -6.095 14.329 5.057
63 2HA GLY 9 2HA GLY 9 -5.606 13.205 6.332
64 H ASP 10 H ASP 10 -4.327 13.705 3.735
65 HA ASP 10 HA ASP 10 -3.931 10.962 2.888
66 1HB ASP 10 1HB ASP 10 -5.716 12.720 1.299
67 2HB ASP 10 2HB ASP 10 -4.371 12.114 0.355
68 H ASN 11 H ASN 11 -1.954 11.598 3.820
69 HA ASN 11 HA ASN 11 0.074 12.399 1.973
70 1HB ASN 11 1HB ASN 11 0.825 14.453 3.118
71 2HB ASN 11 2HB ASN 11 -0.694 14.663 2.274
72 1HD2 ASN 11 1HD2 ASN 11 0.236 16.452 4.217
73 2HD2 ASN 11 2HD2 ASN 11 -0.884 16.331 5.578
74 H ALA 12 H ALA 12 1.193 10.562 2.618
75 HA ALA 12 HA ALA 12 2.593 10.895 5.162
76 1HB ALA 12 1HB ALA 12 2.135 8.766 6.039
77 2HB ALA 12 2HB ALA 12 0.544 9.369 5.543
78 3HB ALA 12 3HB ALA 12 1.390 8.180 4.530
79 H THR 13 H THR 13 4.385 9.189 5.306
80 HA THR 13 HA THR 13 6.152 9.496 3.148
81 HB THR 13 HB THR 13 7.465 7.709 4.356
82 HG1 THR 13 HG1 THR 13 6.480 7.051 6.377
83 1HG2 THR 13 1HG2 THR 13 7.525 10.145 5.057
84 2HG2 THR 13 2HG2 THR 13 6.299 9.760 6.285
85 3HG2 THR 13 3HG2 THR 13 7.893 8.988 6.349
86 HA PRO 14 HA PRO 14 4.890 6.353 0.346
87 1HB PRO 14 1HB PRO 14 7.237 5.665 -0.931
88 2HB PRO 14 2HB PRO 14 6.331 7.178 -1.210
89 1HG PRO 14 1HG PRO 14 8.827 6.752 0.399
90 2HG PRO 14 2HG PRO 14 8.326 8.175 -0.562
91 1HD PRO 14 1HD PRO 14 8.114 7.898 2.225
92 2HD PRO 14 2HD PRO 14 7.226 9.095 1.238
93 H GLU 15 H GLU 15 6.809 5.607 3.029
94 HA GLU 15 HA GLU 15 6.779 2.689 2.597
95 1HB GLU 15 1HB GLU 15 7.926 2.528 4.679
96 2HB GLU 15 2HB GLU 15 8.735 3.731 3.681
97 1HG GLU 15 1HG GLU 15 8.248 5.475 5.106
98 2HG GLU 15 2HG GLU 15 6.703 4.800 5.595
99 H GLN 16 H GLN 16 4.627 5.124 3.872
100 HA GLN 16 HA GLN 16 3.371 3.263 5.768
101 1HB GLN 16 1HB GLN 16 3.663 5.779 6.132
102 2HB GLN 16 2HB GLN 16 2.349 6.019 4.973
103 1HG GLN 16 1HG GLN 16 0.762 4.934 6.385
104 2HG GLN 16 2HG GLN 16 2.012 4.106 7.314
105 1HE2 GLN 16 1HE2 GLN 16 0.267 7.191 6.959
106 2HE2 GLN 16 2HE2 GLN 16 0.942 7.831 8.464
107 H MET 17 H MET 17 2.358 5.002 2.794
108 HA MET 17 HA MET 17 -0.062 3.492 2.464
109 1HB MET 17 1HB MET 17 1.159 5.717 1.212
110 2HB MET 17 2HB MET 17 1.045 4.506 -0.065
111 1HG MET 17 1HG MET 17 -1.310 5.099 1.751
112 2HG MET 17 2HG MET 17 -0.958 6.135 0.375
113 1HE MET 17 1HE MET 17 -3.844 4.913 0.347
114 2HE MET 17 2HE MET 17 -3.963 3.177 -0.024
115 3HE MET 17 3HE MET 17 -3.238 3.712 1.507
116 H ALA 18 H ALA 18 3.251 2.657 1.737
117 HA ALA 18 HA ALA 18 2.946 0.708 -0.250
118 1HB ALA 18 1HB ALA 18 5.087 1.607 0.830
119 2HB ALA 18 2HB ALA 18 4.811 0.454 2.145
120 3HB ALA 18 3HB ALA 18 5.061 -0.119 0.482
121 H GLN 19 H GLN 19 2.153 0.502 3.193
122 HA GLN 19 HA GLN 19 1.697 -2.355 3.284
123 1HB GLN 19 1HB GLN 19 1.637 -0.055 5.086
124 2HB GLN 19 2HB GLN 19 0.189 -1.010 5.327
125 1HG GLN 19 1HG GLN 19 2.833 -2.471 5.166
126 2HG GLN 19 2HG GLN 19 2.505 -1.490 6.588
127 1HE2 GLN 19 1HE2 GLN 19 1.730 -2.742 8.266
128 2HE2 GLN 19 2HE2 GLN 19 0.559 -4.043 8.007
129 H TYR 20 H TYR 20 -0.529 0.447 3.033
130 HA TYR 20 HA TYR 20 -2.952 -1.074 2.712
131 1HB TYR 20 1HB TYR 20 -2.054 1.758 2.249
132 2HB TYR 20 2HB TYR 20 -3.489 1.210 1.407
133 HD1 TYR 20 HD1 TYR 20 -2.149 0.868 4.949
134 HD2 TYR 20 HD2 TYR 20 -5.482 1.822 2.372
135 HE1 TYR 20 HE1 TYR 20 -3.578 1.305 6.941
136 HE2 TYR 20 HE2 TYR 20 -6.895 2.255 4.362
137 HH TYR 20 HH TYR 20 -6.105 1.257 7.450
138 H ALA 21 H ALA 21 -0.648 0.288 0.277
139 HA ALA 21 HA ALA 21 -2.071 -0.662 -1.998
140 1HB ALA 21 1HB ALA 21 0.196 0.873 -1.588
141 2HB ALA 21 2HB ALA 21 0.881 -0.616 -2.265
142 3HB ALA 21 3HB ALA 21 -0.374 0.280 -3.147
143 H ALA 22 H ALA 22 0.429 -2.278 0.019
144 HA ALA 22 HA ALA 22 0.467 -4.744 -1.443
145 1HB ALA 22 1HB ALA 22 2.275 -4.069 0.080
146 2HB ALA 22 2HB ALA 22 1.157 -4.119 1.460
147 3HB ALA 22 3HB ALA 22 1.569 -5.612 0.600
148 H GLU 23 H GLU 23 -1.945 -3.448 0.762
149 HA GLU 23 HA GLU 23 -3.193 -6.072 1.232
150 1HB GLU 23 1HB GLU 23 -3.298 -4.270 2.912
151 2HB GLU 23 2HB GLU 23 -4.238 -3.285 1.794
152 1HG GLU 23 1HG GLU 23 -5.397 -5.983 2.066
153 2HG GLU 23 2HG GLU 23 -5.196 -5.215 3.633
154 H LEU 24 H LEU 24 -3.847 -3.140 -0.756
155 HA LEU 24 HA LEU 24 -6.164 -4.038 -1.997
156 1HB LEU 24 1HB LEU 24 -4.710 -1.763 -2.211
157 2HB LEU 24 2HB LEU 24 -4.185 -2.544 -3.699
158 1HD1 LEU 24 1HD1 LEU 24 -8.260 -1.364 -3.068
159 2HD1 LEU 24 2HD1 LEU 24 -7.398 -2.205 -1.771
160 3HD1 LEU 24 3HD1 LEU 24 -6.930 -0.557 -2.217
161 1HD2 LEU 24 1HD2 LEU 24 -5.495 -0.145 -4.228
162 2HD2 LEU 24 2HD2 LEU 24 -5.412 -1.396 -5.491
163 3HD2 LEU 24 3HD2 LEU 24 -6.961 -0.624 -5.107
164 1HG LEU 24 1HG LEU 24 -6.751 -2.916 -4.146
165 H ARG 25 H ARG 25 -2.834 -4.752 -3.025
166 HA ARG 25 HA ARG 25 -3.345 -6.336 -5.329
167 1HB ARG 25 1HB ARG 25 -1.089 -5.806 -4.778
168 2HB ARG 25 2HB ARG 25 -1.209 -6.538 -3.169
169 1HG ARG 25 1HG ARG 25 -1.252 -8.758 -4.044
170 2HG ARG 25 2HG ARG 25 -1.569 -8.192 -5.695
171 1HD ARG 25 1HD ARG 25 0.689 -7.206 -5.791
172 2HD ARG 25 2HD ARG 25 1.010 -7.792 -4.141
173 HE ARG 25 HNE ARG 25 0.130 -9.982 -5.736
174 1HH1 ARG 25 2HH2 ARG 25 2.961 -7.977 -5.418
175 2HH1 ARG 25 1HH2 ARG 25 4.056 -9.227 -5.943
176 1HH2 ARG 25 2HH1 ARG 25 1.547 -11.572 -6.478
177 2HH2 ARG 25 1HH1 ARG 25 3.230 -11.201 -6.655
178 H ARG 26 H ARG 26 -3.771 -7.236 -1.949
179 HA ARG 26 HA ARG 26 -4.274 -10.087 -2.561
180 1HB ARG 26 1HB ARG 26 -5.000 -8.889 0.105
181 2HB ARG 26 2HB ARG 26 -4.318 -10.470 -0.281
182 1HG ARG 26 1HG ARG 26 -2.134 -9.146 -0.875
183 2HG ARG 26 2HG ARG 26 -2.966 -7.786 -0.117
184 1HD ARG 26 1HD ARG 26 -3.266 -9.379 1.921
185 2HD ARG 26 2HD ARG 26 -1.975 -10.324 1.143
186 HE ARG 26 HNE ARG 26 -1.332 -7.495 1.331
187 1HH1 ARG 26 2HH2 ARG 26 -0.999 -10.558 2.981
188 2HH1 ARG 26 1HH2 ARG 26 0.070 -9.935 4.210
189 1HH2 ARG 26 2HH1 ARG 26 -0.049 -6.675 3.067
190 2HH2 ARG 26 1HH1 ARG 26 0.635 -7.809 4.204
191 H TYR 27 H TYR 27 -6.054 -7.200 -1.505
192 HA TYR 27 HA TYR 27 -8.661 -8.194 -1.438
193 1HB TYR 27 1HB TYR 27 -7.657 -5.801 -0.953
194 2HB TYR 27 2HB TYR 27 -8.106 -5.469 -2.620
195 HD1 TYR 27 HD1 TYR 27 -9.310 -6.407 0.744
196 HD2 TYR 27 HD2 TYR 27 -10.485 -5.207 -3.228
197 HE1 TYR 27 HE1 TYR 27 -11.633 -6.118 1.536
198 HE2 TYR 27 HE2 TYR 27 -12.829 -4.870 -2.421
199 HH TYR 27 HH TYR 27 -13.716 -5.445 0.982
200 H ILE 28 H ILE 28 -6.921 -6.904 -4.297
201 HA ILE 28 HA ILE 28 -8.790 -7.295 -6.321
202 HB ILE 28 HB ILE 28 -5.795 -7.466 -6.165
203 1HG1 ILE 28 1HG1 ILE 28 -7.554 -5.533 -7.720
204 2HG1 ILE 28 2HG1 ILE 28 -7.194 -5.314 -6.028
205 1HG2 ILE 28 1HG2 ILE 28 -7.395 -8.396 -8.507
206 2HG2 ILE 28 2HG2 ILE 28 -5.985 -7.374 -8.837
207 3HG2 ILE 28 3HG2 ILE 28 -5.813 -8.890 -7.938
208 1HD1 ILE 28 1HD1 ILE 28 -5.564 -4.607 -8.278
209 2HD1 ILE 28 2HD1 ILE 28 -5.278 -4.307 -6.551
210 3HD1 ILE 28 3HD1 ILE 28 -4.671 -5.792 -7.302
211 H ASN 29 H ASN 29 -6.466 -9.828 -5.218
212 HA ASN 29 HA ASN 29 -7.527 -11.881 -6.909
213 1HB ASN 29 1HB ASN 29 -5.283 -11.808 -5.654
214 2HB ASN 29 2HB ASN 29 -6.175 -12.314 -4.216
215 1HD2 ASN 29 1HD2 ASN 29 -6.229 -14.602 -3.947
216 2HD2 ASN 29 2HD2 ASN 29 -6.038 -15.689 -5.334
217 H MET 30 H MET 30 -8.554 -10.649 -3.775
218 HA MET 30 HA MET 30 -10.485 -12.795 -3.303
219 1HB MET 30 1HB MET 30 -9.031 -11.225 -1.643
220 2HB MET 30 2HB MET 30 -10.478 -10.229 -1.732
221 1HG MET 30 1HG MET 30 -11.279 -11.562 -0.092
222 2HG MET 30 2HG MET 30 -11.551 -12.758 -1.350
223 1HE MET 30 1HE MET 30 -8.530 -12.508 1.980
224 2HE MET 30 2HE MET 30 -7.721 -11.955 0.493
225 3HE MET 30 3HE MET 30 -9.219 -11.170 1.038
226 H LEU 31 H LEU 31 -10.518 -9.753 -4.878
227 HA LEU 31 HA LEU 31 -13.450 -9.406 -4.934
228 1HB LEU 31 1HB LEU 31 -12.410 -7.377 -4.544
229 2HB LEU 31 2HB LEU 31 -10.989 -7.800 -5.476
230 1HD1 LEU 31 1HD1 LEU 31 -14.332 -6.804 -7.761
231 2HD1 LEU 31 2HD1 LEU 31 -14.556 -7.336 -6.092
232 3HD1 LEU 31 3HD1 LEU 31 -14.229 -5.625 -6.442
233 1HD2 LEU 31 1HD2 LEU 31 -11.990 -4.993 -7.460
234 2HD2 LEU 31 2HD2 LEU 31 -11.983 -5.064 -5.684
235 3HD2 LEU 31 3HD2 LEU 31 -10.657 -5.791 -6.609
236 1HG LEU 31 1HG LEU 31 -12.211 -7.437 -7.568
237 H THR 32 H THR 32 -11.010 -10.927 -6.807
238 HA THR 32 HA THR 32 -10.970 -11.925 -8.860
239 HB THR 32 HB THR 32 -14.005 -11.909 -8.859
240 HG1 THR 32 HG1 THR 32 -13.044 -12.569 -6.874
241 1HG2 THR 32 1HG2 THR 32 -11.907 -13.842 -9.944
242 2HG2 THR 32 2HG2 THR 32 -13.638 -14.220 -9.814
243 3HG2 THR 32 3HG2 THR 32 -13.106 -12.924 -10.888
244 H ARG 33 H ARG 33 -10.787 -9.121 -8.696
245 HA ARG 33 HA ARG 33 -12.421 -7.628 -10.345
246 1HB ARG 33 1HB ARG 33 -10.824 -5.889 -10.253
247 2HB ARG 33 2HB ARG 33 -10.581 -6.810 -8.793
248 1HG ARG 33 1HG ARG 33 -8.438 -6.593 -9.339
249 2HG ARG 33 2HG ARG 33 -8.749 -8.091 -10.211
250 1HD ARG 33 1HD ARG 33 -7.422 -6.582 -11.557
251 2HD ARG 33 2HD ARG 33 -9.014 -6.750 -12.293
252 HE ARG 33 HNE ARG 33 -9.060 -4.510 -10.540
253 1HH1 ARG 33 2HH2 ARG 33 -8.085 -5.297 -13.758
254 2HH1 ARG 33 1HH2 ARG 33 -7.568 -3.679 -14.148
255 1HH2 ARG 33 2HH1 ARG 33 -8.723 -2.373 -11.187
256 2HH2 ARG 33 1HH1 ARG 33 -8.141 -2.054 -12.785
257 HA PRO 34 HA PRO 34 -11.488 -8.879 -14.477
258 1HB PRO 34 1HB PRO 34 -12.223 -6.662 -15.946
259 2HB PRO 34 2HB PRO 34 -13.357 -7.840 -15.226
260 1HG PRO 34 1HG PRO 34 -12.666 -5.085 -14.273
261 2HG PRO 34 2HG PRO 34 -14.196 -5.997 -14.101
262 1HD PRO 34 1HD PRO 34 -12.189 -5.676 -12.138
263 2HD PRO 34 2HD PRO 34 -13.525 -6.861 -12.087
264 H ARG 35 H ARG 35 -9.427 -9.175 -14.942
265 HA ARG 35 HA ARG 35 -7.484 -6.950 -14.939
266 1HB ARG 35 1HB ARG 35 -7.311 -9.577 -14.184
267 2HB ARG 35 2HB ARG 35 -6.625 -9.673 -15.801
268 1HG ARG 35 1HG ARG 35 -4.731 -8.549 -15.220
269 2HG ARG 35 2HG ARG 35 -5.565 -7.393 -14.185
270 1HD ARG 35 1HD ARG 35 -5.333 -8.625 -12.285
271 2HD ARG 35 2HD ARG 35 -5.533 -10.165 -13.113
272 HE ARG 35 HNE ARG 35 -3.288 -10.393 -13.287
273 1HH1 ARG 35 2HH2 ARG 35 -3.805 -6.975 -12.834
274 2HH1 ARG 35 1HH2 ARG 35 -2.104 -6.600 -12.739
275 1HH2 ARG 35 2HH1 ARG 35 -1.124 -9.914 -13.214
276 2HH2 ARG 35 1HH1 ARG 35 -0.610 -8.286 -12.910
277 H TYR 36 H TYR 36 -9.662 -7.864 -17.111
278 HA TYR 36 HA TYR 36 -8.020 -7.213 -19.501
279 1HB TYR 36 1HB TYR 36 -9.758 -9.514 -18.887
280 2HB TYR 36 2HB TYR 36 -10.324 -8.663 -20.299
281 HD1 TYR 36 HD1 TYR 36 -8.007 -11.116 -19.130
282 HD2 TYR 36 HD2 TYR 36 -8.560 -8.070 -22.134
283 HE1 TYR 36 HE1 TYR 36 -6.282 -12.204 -20.576
284 HE2 TYR 36 HE2 TYR 36 -6.846 -9.139 -23.555
285 HH TYR 36 HH TYR 36 -5.382 -10.856 -23.746
286 1HN NH2 37 1HN NH2 37 -9.321 -6.099 -21.284
287 2HN NH2 37 2HN NH2 37 -10.670 -5.106 -20.726
Start of MODEL 16
1 1H ALA 1 1H ALA 1 -20.727 6.740 7.959
2 2H ALA 1 2H ALA 1 -21.809 5.631 7.386
3 3H ALA 1 3H ALA 1 -20.650 5.190 8.489
4 HA ALA 1 HA ALA 1 -20.463 4.854 5.851
5 1HB ALA 1 1HB ALA 1 -18.485 7.059 6.465
6 2HB ALA 1 2HB ALA 1 -19.105 6.495 4.898
7 3HB ALA 1 3HB ALA 1 -20.127 7.492 5.939
8 HA PRO 2 HA PRO 2 -17.293 2.356 7.700
9 1HB PRO 2 1HB PRO 2 -15.756 1.598 5.516
10 2HB PRO 2 2HB PRO 2 -17.362 0.933 5.914
11 1HG PRO 2 1HG PRO 2 -16.621 2.904 3.791
12 2HG PRO 2 2HG PRO 2 -17.971 1.734 3.835
13 1HD PRO 2 1HD PRO 2 -18.101 4.512 4.378
14 2HD PRO 2 2HD PRO 2 -19.379 3.312 4.721
15 H LEU 3 H LEU 3 -15.885 4.612 5.297
16 HA LEU 3 HA LEU 3 -13.568 5.102 7.086
17 1HB LEU 3 1HB LEU 3 -13.936 5.085 4.140
18 2HB LEU 3 2HB LEU 3 -13.076 6.489 4.733
19 1HD1 LEU 3 1HD1 LEU 3 -10.759 6.278 5.667
20 2HD1 LEU 3 2HD1 LEU 3 -11.428 5.351 7.019
21 3HD1 LEU 3 3HD1 LEU 3 -10.111 4.672 6.054
22 1HD2 LEU 3 1HD2 LEU 3 -13.245 2.844 5.096
23 2HD2 LEU 3 2HD2 LEU 3 -11.508 2.558 4.908
24 3HD2 LEU 3 3HD2 LEU 3 -12.162 3.022 6.490
25 1HG LEU 3 1HG LEU 3 -11.588 4.668 4.053
26 H GLU 4 H GLU 4 -14.306 6.417 8.585
27 HA GLU 4 HA GLU 4 -15.823 8.847 8.049
28 1HB GLU 4 1HB GLU 4 -14.793 7.444 10.435
29 2HB GLU 4 2HB GLU 4 -14.520 9.186 10.508
30 1HG GLU 4 1HG GLU 4 -16.940 9.548 9.921
31 2HG GLU 4 2HG GLU 4 -17.183 7.803 10.047
32 HA PRO 5 HA PRO 5 -11.719 11.127 8.386
33 1HB PRO 5 1HB PRO 5 -9.293 9.789 8.477
34 2HB PRO 5 2HB PRO 5 -10.221 10.320 9.908
35 1HG PRO 5 1HG PRO 5 -9.921 7.569 8.783
36 2HG PRO 5 2HG PRO 5 -10.259 8.085 10.462
37 1HD PRO 5 1HD PRO 5 -12.119 7.134 8.540
38 2HD PRO 5 2HD PRO 5 -12.500 7.870 10.123
39 H GLU 6 H GLU 6 -10.920 12.032 6.574
40 HA GLU 6 HA GLU 6 -10.804 10.390 4.103
41 1HB GLU 6 1HB GLU 6 -10.885 13.400 4.530
42 2HB GLU 6 2HB GLU 6 -10.827 12.593 2.970
43 1HG GLU 6 1HG GLU 6 -13.044 12.459 2.914
44 2HG GLU 6 2HG GLU 6 -13.017 11.362 4.273
45 H TYR 7 H TYR 7 -9.060 10.573 2.652
46 HA TYR 7 HA TYR 7 -6.454 10.635 3.879
47 1HB TYR 7 1HB TYR 7 -7.370 10.333 0.989
48 2HB TYR 7 2HB TYR 7 -5.719 10.104 1.522
49 HD1 TYR 7 HD1 TYR 7 -9.097 8.638 1.477
50 HD2 TYR 7 HD2 TYR 7 -5.077 8.188 2.976
51 HE1 TYR 7 HE1 TYR 7 -9.611 6.303 2.140
52 HE2 TYR 7 HE2 TYR 7 -5.593 5.826 3.617
53 HH TYR 7 HH TYR 7 -8.842 4.529 3.512
54 HA PRO 8 HA PRO 8 -5.315 14.857 2.794
55 1HB PRO 8 1HB PRO 8 -2.570 14.611 2.440
56 2HB PRO 8 2HB PRO 8 -3.392 14.672 4.021
57 1HG PRO 8 1HG PRO 8 -2.218 12.320 2.605
58 2HG PRO 8 2HG PRO 8 -2.442 12.602 4.356
59 1HD PRO 8 1HD PRO 8 -4.070 11.040 2.627
60 2HD PRO 8 2HD PRO 8 -4.437 11.485 4.317
61 H GLY 9 H GLY 9 -3.860 15.987 1.003
62 1HA GLY 9 1HA GLY 9 -5.046 15.695 -1.476
63 2HA GLY 9 2HA GLY 9 -3.496 16.493 -1.215
64 H ASP 10 H ASP 10 -1.540 15.293 -1.626
65 HA ASP 10 HA ASP 10 -1.359 12.567 -2.188
66 1HB ASP 10 1HB ASP 10 -2.653 13.308 -4.346
67 2HB ASP 10 2HB ASP 10 -1.155 14.024 -4.853
68 H ASN 11 H ASN 11 0.439 13.036 -0.794
69 HA ASN 11 HA ASN 11 2.958 13.524 -2.064
70 1HB ASN 11 1HB ASN 11 3.561 15.634 -0.938
71 2HB ASN 11 2HB ASN 11 2.338 15.858 -2.165
72 1HD2 ASN 11 1HD2 ASN 11 2.732 17.828 -0.387
73 2HD2 ASN 11 2HD2 ASN 11 1.399 17.833 0.797
74 H ALA 12 H ALA 12 3.014 11.431 -0.880
75 HA ALA 12 HA ALA 12 4.537 11.873 1.548
76 1HB ALA 12 1HB ALA 12 2.139 9.991 1.681
77 2HB ALA 12 2HB ALA 12 3.252 10.451 2.996
78 3HB ALA 12 3HB ALA 12 2.124 11.643 2.333
79 H THR 13 H THR 13 6.242 10.490 1.480
80 HA THR 13 HA THR 13 6.852 8.856 -0.718
81 HB THR 13 HB THR 13 8.606 7.928 0.875
82 HG1 THR 13 HG1 THR 13 8.556 8.640 2.976
83 1HG2 THR 13 1HG2 THR 13 8.921 10.100 -0.431
84 2HG2 THR 13 2HG2 THR 13 8.392 10.968 1.028
85 3HG2 THR 13 3HG2 THR 13 9.861 9.979 1.069
86 HA PRO 14 HA PRO 14 4.649 5.124 0.269
87 1HB PRO 14 1HB PRO 14 6.068 3.194 -1.069
88 2HB PRO 14 2HB PRO 14 5.081 4.444 -1.860
89 1HG PRO 14 1HG PRO 14 8.067 4.340 -1.561
90 2HG PRO 14 2HG PRO 14 7.079 4.970 -2.914
91 1HD PRO 14 1HD PRO 14 8.268 6.492 -0.854
92 2HD PRO 14 2HD PRO 14 6.989 7.056 -1.968
93 H GLU 15 H GLU 15 5.794 5.953 2.444
94 HA GLU 15 HA GLU 15 7.229 3.681 3.741
95 1HB GLU 15 1HB GLU 15 7.686 5.172 5.538
96 2HB GLU 15 2HB GLU 15 8.119 5.981 4.033
97 1HG GLU 15 1HG GLU 15 6.234 7.459 4.157
98 2HG GLU 15 2HG GLU 15 5.435 6.493 5.387
99 H GLN 16 H GLN 16 4.123 5.085 3.455
100 HA GLN 16 HA GLN 16 3.041 3.341 5.640
101 1HB GLN 16 1HB GLN 16 3.051 5.942 5.989
102 2HB GLN 16 2HB GLN 16 1.713 5.942 4.833
103 1HG GLN 16 1HG GLN 16 0.531 4.254 6.306
104 2HG GLN 16 2HG GLN 16 1.875 4.374 7.451
105 1HE2 GLN 16 1HE2 GLN 16 1.501 5.818 9.182
106 2HE2 GLN 16 2HE2 GLN 16 0.428 7.192 8.997
107 H MET 17 H MET 17 2.066 5.074 2.623
108 HA MET 17 HA MET 17 -0.160 3.437 2.054
109 1HB MET 17 1HB MET 17 1.325 5.532 0.695
110 2HB MET 17 2HB MET 17 1.034 4.219 -0.448
111 1HG MET 17 1HG MET 17 -1.075 5.540 1.289
112 2HG MET 17 2HG MET 17 -0.811 5.877 -0.424
113 1HE MET 17 1HE MET 17 -4.045 3.392 0.879
114 2HE MET 17 2HE MET 17 -3.037 4.446 1.889
115 3HE MET 17 3HE MET 17 -3.816 5.093 0.421
116 H ALA 18 H ALA 18 3.225 2.708 1.648
117 HA ALA 18 HA ALA 18 3.165 0.588 -0.190
118 1HB ALA 18 1HB ALA 18 4.974 -0.080 1.939
119 2HB ALA 18 2HB ALA 18 5.340 0.657 0.371
120 3HB ALA 18 3HB ALA 18 4.989 1.675 1.778
121 H GLN 19 H GLN 19 1.968 0.655 3.137
122 HA GLN 19 HA GLN 19 1.676 -2.229 3.399
123 1HB GLN 19 1HB GLN 19 1.555 0.100 5.082
124 2HB GLN 19 2HB GLN 19 -0.009 -0.664 5.216
125 1HG GLN 19 1HG GLN 19 2.513 -2.349 5.421
126 2HG GLN 19 2HG GLN 19 2.065 -1.294 6.755
127 1HE2 GLN 19 1HE2 GLN 19 2.011 -3.537 7.867
128 2HE2 GLN 19 2HE2 GLN 19 0.414 -4.290 7.792
129 H TYR 20 H TYR 20 -0.725 0.423 3.132
130 HA TYR 20 HA TYR 20 -3.018 -1.130 2.600
131 1HB TYR 20 1HB TYR 20 -2.170 1.707 2.217
132 2HB TYR 20 2HB TYR 20 -3.460 1.168 1.168
133 HD1 TYR 20 HD1 TYR 20 -5.615 0.367 2.028
134 HD2 TYR 20 HD2 TYR 20 -2.601 2.022 4.632
135 HE1 TYR 20 HE1 TYR 20 -7.353 0.805 3.771
136 HE2 TYR 20 HE2 TYR 20 -4.345 2.463 6.361
137 HH TYR 20 HH TYR 20 -6.918 2.882 6.346
138 H ALA 21 H ALA 21 -0.619 0.167 0.245
139 HA ALA 21 HA ALA 21 -1.931 -0.705 -2.109
140 1HB ALA 21 1HB ALA 21 1.082 -0.560 -1.669
141 2HB ALA 21 2HB ALA 21 0.174 -0.299 -3.177
142 3HB ALA 21 3HB ALA 21 0.060 0.878 -1.862
143 H ALA 22 H ALA 22 0.472 -2.404 -0.021
144 HA ALA 22 HA ALA 22 0.465 -4.853 -1.515
145 1HB ALA 22 1HB ALA 22 2.050 -5.441 -0.033
146 2HB ALA 22 2HB ALA 22 1.886 -3.847 0.695
147 3HB ALA 22 3HB ALA 22 0.968 -5.190 1.357
148 H GLU 23 H GLU 23 -1.723 -3.554 0.941
149 HA GLU 23 HA GLU 23 -3.164 -6.005 1.442
150 1HB GLU 23 1HB GLU 23 -3.065 -3.632 2.701
151 2HB GLU 23 2HB GLU 23 -4.521 -3.325 1.770
152 1HG GLU 23 1HG GLU 23 -4.232 -5.915 3.339
153 2HG GLU 23 2HG GLU 23 -4.517 -4.409 4.195
154 H LEU 24 H LEU 24 -3.959 -3.137 -0.570
155 HA LEU 24 HA LEU 24 -6.262 -4.178 -1.744
156 1HB LEU 24 1HB LEU 24 -4.860 -1.822 -2.056
157 2HB LEU 24 2HB LEU 24 -4.538 -2.609 -3.600
158 1HD1 LEU 24 1HD1 LEU 24 -7.787 -0.726 -2.092
159 2HD1 LEU 24 2HD1 LEU 24 -8.470 -2.363 -2.126
160 3HD1 LEU 24 3HD1 LEU 24 -7.067 -2.008 -1.111
161 1HD2 LEU 24 1HD2 LEU 24 -5.958 -0.197 -3.782
162 2HD2 LEU 24 2HD2 LEU 24 -6.012 -1.351 -5.132
163 3HD2 LEU 24 3HD2 LEU 24 -7.519 -0.664 -4.500
164 1HG LEU 24 1HG LEU 24 -7.078 -3.020 -3.767
165 H ARG 25 H ARG 25 -2.889 -4.712 -2.809
166 HA ARG 25 HA ARG 25 -3.298 -6.293 -5.102
167 1HB ARG 25 1HB ARG 25 -1.085 -5.771 -4.484
168 2HB ARG 25 2HB ARG 25 -1.256 -6.473 -2.878
169 1HG ARG 25 1HG ARG 25 -1.295 -8.714 -3.712
170 2HG ARG 25 2HG ARG 25 -1.436 -8.168 -5.389
171 1HD ARG 25 1HD ARG 25 0.775 -7.992 -5.618
172 2HD ARG 25 2HD ARG 25 0.926 -6.991 -4.163
173 HE ARG 25 HNE ARG 25 0.534 -9.712 -3.397
174 1HH1 ARG 25 2HH2 ARG 25 3.018 -7.719 -4.822
175 2HH1 ARG 25 1HH2 ARG 25 4.329 -8.697 -4.207
176 1HH2 ARG 25 2HH1 ARG 25 2.267 -10.932 -2.559
177 2HH2 ARG 25 1HH1 ARG 25 3.894 -10.447 -2.931
178 H ARG 26 H ARG 26 -3.748 -7.313 -1.743
179 HA ARG 26 HA ARG 26 -4.301 -10.121 -2.454
180 1HB ARG 26 1HB ARG 26 -5.058 -8.947 0.224
181 2HB ARG 26 2HB ARG 26 -4.462 -10.557 -0.187
182 1HG ARG 26 1HG ARG 26 -2.201 -9.373 -0.711
183 2HG ARG 26 2HG ARG 26 -2.939 -7.966 0.060
184 1HD ARG 26 1HD ARG 26 -3.311 -10.184 1.830
185 2HD ARG 26 2HD ARG 26 -1.634 -10.214 1.293
186 HE ARG 26 HNE ARG 26 -2.948 -8.206 2.981
187 1HH1 ARG 26 2HH2 ARG 26 -0.235 -8.632 0.881
188 2HH1 ARG 26 1HH2 ARG 26 0.743 -7.415 1.639
189 1HH2 ARG 26 2HH1 ARG 26 -1.746 -6.570 3.929
190 2HH2 ARG 26 1HH1 ARG 26 -0.157 -6.225 3.350
191 H TYR 27 H TYR 27 -6.089 -7.239 -1.413
192 HA TYR 27 HA TYR 27 -8.708 -8.224 -1.398
193 1HB TYR 27 1HB TYR 27 -7.686 -5.854 -0.878
194 2HB TYR 27 2HB TYR 27 -8.139 -5.491 -2.536
195 HD1 TYR 27 HD1 TYR 27 -9.116 -4.855 0.591
196 HD2 TYR 27 HD2 TYR 27 -10.806 -6.697 -2.940
197 HE1 TYR 27 HE1 TYR 27 -11.417 -4.332 1.385
198 HE2 TYR 27 HE2 TYR 27 -13.074 -6.246 -2.099
199 HH TYR 27 HH TYR 27 -14.130 -5.828 0.345
200 H ILE 28 H ILE 28 -6.938 -6.857 -4.214
201 HA ILE 28 HA ILE 28 -8.900 -7.053 -6.200
202 HB ILE 28 HB ILE 28 -5.913 -7.483 -6.334
203 1HG1 ILE 28 1HG1 ILE 28 -7.313 -4.950 -7.276
204 2HG1 ILE 28 2HG1 ILE 28 -7.083 -5.169 -5.577
205 1HG2 ILE 28 1HG2 ILE 28 -7.321 -6.496 -8.791
206 2HG2 ILE 28 2HG2 ILE 28 -5.829 -7.420 -8.620
207 3HG2 ILE 28 3HG2 ILE 28 -7.378 -8.232 -8.469
208 1HD1 ILE 28 1HD1 ILE 28 -4.933 -4.523 -5.727
209 2HD1 ILE 28 2HD1 ILE 28 -4.566 -5.786 -6.913
210 3HD1 ILE 28 3HD1 ILE 28 -5.179 -4.209 -7.444
211 H ASN 29 H ASN 29 -6.481 -9.593 -5.387
212 HA ASN 29 HA ASN 29 -7.518 -11.595 -7.120
213 1HB ASN 29 1HB ASN 29 -5.266 -11.473 -5.863
214 2HB ASN 29 2HB ASN 29 -6.130 -12.096 -4.454
215 1HD2 ASN 29 1HD2 ASN 29 -5.803 -14.356 -4.288
216 2HD2 ASN 29 2HD2 ASN 29 -5.700 -15.351 -5.756
217 H MET 30 H MET 30 -8.342 -10.742 -3.776
218 HA MET 30 HA MET 30 -10.371 -12.792 -3.367
219 1HB MET 30 1HB MET 30 -9.274 -10.389 -1.912
220 2HB MET 30 2HB MET 30 -10.834 -11.005 -1.416
221 1HG MET 30 1HG MET 30 -8.648 -13.023 -1.810
222 2HG MET 30 2HG MET 30 -8.472 -11.922 -0.449
223 1HE MET 30 1HE MET 30 -11.483 -12.595 1.822
224 2HE MET 30 2HE MET 30 -9.794 -12.035 1.776
225 3HE MET 30 3HE MET 30 -11.021 -11.255 0.756
226 H LEU 31 H LEU 31 -10.448 -9.888 -5.117
227 HA LEU 31 HA LEU 31 -13.421 -9.682 -5.025
228 1HB LEU 31 1HB LEU 31 -12.759 -7.566 -4.571
229 2HB LEU 31 2HB LEU 31 -11.162 -7.798 -5.238
230 1HD1 LEU 31 1HD1 LEU 31 -14.599 -7.630 -6.461
231 2HD1 LEU 31 2HD1 LEU 31 -14.363 -5.879 -6.445
232 3HD1 LEU 31 3HD1 LEU 31 -14.201 -6.793 -7.966
233 1HD2 LEU 31 1HD2 LEU 31 -10.771 -5.771 -6.505
234 2HD2 LEU 31 2HD2 LEU 31 -12.186 -4.971 -7.216
235 3HD2 LEU 31 3HD2 LEU 31 -12.113 -5.260 -5.468
236 1HG LEU 31 1HG LEU 31 -12.089 -7.478 -7.533
237 H THR 32 H THR 32 -10.979 -11.111 -6.838
238 HA THR 32 HA THR 32 -10.800 -11.944 -8.956
239 HB THR 32 HB THR 32 -13.830 -11.808 -9.121
240 HG1 THR 32 HG1 THR 32 -12.187 -13.694 -7.785
241 1HG2 THR 32 1HG2 THR 32 -12.739 -12.728 -11.157
242 2HG2 THR 32 2HG2 THR 32 -11.844 -13.890 -10.150
243 3HG2 THR 32 3HG2 THR 32 -13.617 -13.970 -10.268
244 H ARG 33 H ARG 33 -10.614 -9.108 -8.572
245 HA ARG 33 HA ARG 33 -12.036 -7.418 -10.212
246 1HB ARG 33 1HB ARG 33 -10.227 -6.675 -8.645
247 2HB ARG 33 2HB ARG 33 -9.058 -7.360 -9.764
248 1HG ARG 33 1HG ARG 33 -8.912 -5.111 -10.241
249 2HG ARG 33 2HG ARG 33 -9.941 -5.682 -11.525
250 1HD ARG 33 1HD ARG 33 -11.485 -4.142 -10.957
251 2HD ARG 33 2HD ARG 33 -11.716 -4.945 -9.416
252 HE ARG 33 HNE ARG 33 -10.394 -3.328 -8.369
253 1HH1 ARG 33 2HH2 ARG 33 -10.078 -2.866 -11.849
254 2HH1 ARG 33 1HH2 ARG 33 -9.294 -1.318 -11.680
255 1HH2 ARG 33 2HH1 ARG 33 -9.256 -1.364 -8.231
256 2HH2 ARG 33 1HH1 ARG 33 -8.872 -0.505 -9.711
257 HA PRO 34 HA PRO 34 -11.042 -8.964 -14.299
258 1HB PRO 34 1HB PRO 34 -12.153 -6.938 -15.836
259 2HB PRO 34 2HB PRO 34 -13.063 -8.277 -15.078
260 1HG PRO 34 1HG PRO 34 -12.852 -5.419 -14.206
261 2HG PRO 34 2HG PRO 34 -14.203 -6.574 -13.999
262 1HD PRO 34 1HD PRO 34 -12.302 -5.858 -12.060
263 2HD PRO 34 2HD PRO 34 -13.376 -7.279 -11.974
264 H ARG 35 H ARG 35 -8.930 -8.918 -14.763
265 HA ARG 35 HA ARG 35 -7.761 -6.485 -15.931
266 1HB ARG 35 1HB ARG 35 -7.430 -6.697 -13.295
267 2HB ARG 35 2HB ARG 35 -6.125 -7.770 -13.718
268 1HG ARG 35 1HG ARG 35 -6.338 -5.032 -15.055
269 2HG ARG 35 2HG ARG 35 -5.833 -5.153 -13.381
270 1HD ARG 35 1HD ARG 35 -3.812 -5.142 -14.409
271 2HD ARG 35 2HD ARG 35 -4.069 -6.882 -14.207
272 HE ARG 35 HNE ARG 35 -5.076 -6.136 -16.753
273 1HH1 ARG 35 2HH2 ARG 35 -1.987 -6.214 -15.156
274 2HH1 ARG 35 1HH2 ARG 35 -1.059 -6.367 -16.619
275 1HH2 ARG 35 2HH1 ARG 35 -3.915 -6.423 -18.643
276 2HH2 ARG 35 1HH1 ARG 35 -2.173 -6.351 -18.600
277 H TYR 36 H TYR 36 -7.923 -7.791 -17.845
278 HA TYR 36 HA TYR 36 -5.734 -9.774 -18.125
279 1HB TYR 36 1HB TYR 36 -7.093 -11.394 -19.041
280 2HB TYR 36 2HB TYR 36 -8.035 -10.819 -17.687
281 HD1 TYR 36 HD1 TYR 36 -8.024 -11.520 -21.183
282 HD2 TYR 36 HD2 TYR 36 -9.889 -8.990 -18.230
283 HE1 TYR 36 HE1 TYR 36 -9.910 -11.050 -22.761
284 HE2 TYR 36 HE2 TYR 36 -11.755 -8.523 -19.804
285 HH TYR 36 HH TYR 36 -12.731 -9.108 -21.822
286 1HN NH2 37 1HN NH2 37 -4.459 -9.445 -19.997
287 2HN NH2 37 2HN NH2 37 -5.047 -8.387 -21.282
Start of MODEL 17
1 1H ALA 1 1H ALA 1 5.953 -0.491 17.122
2 2H ALA 1 2H ALA 1 7.082 -1.209 16.163
3 3H ALA 1 3H ALA 1 7.546 -0.489 17.563
4 HA ALA 1 HA ALA 1 6.980 1.653 16.775
5 1HB ALA 1 1HB ALA 1 9.005 0.008 15.370
6 2HB ALA 1 2HB ALA 1 8.480 1.460 14.493
7 3HB ALA 1 3HB ALA 1 9.126 1.610 16.130
8 HA PRO 2 HA PRO 2 4.601 1.338 12.745
9 1HB PRO 2 1HB PRO 2 4.250 -1.021 11.384
10 2HB PRO 2 2HB PRO 2 5.653 0.049 11.146
11 1HG PRO 2 1HG PRO 2 5.505 -2.535 12.666
12 2HG PRO 2 2HG PRO 2 6.864 -1.839 11.733
13 1HD PRO 2 1HD PRO 2 6.464 -1.737 14.532
14 2HD PRO 2 2HD PRO 2 7.673 -0.799 13.602
15 H LEU 3 H LEU 3 2.418 0.351 12.086
16 HA LEU 3 HA LEU 3 0.286 -0.163 12.554
17 1HB LEU 3 1HB LEU 3 1.361 -2.022 14.712
18 2HB LEU 3 2HB LEU 3 -0.311 -1.814 14.265
19 1HD1 LEU 3 1HD1 LEU 3 2.346 -4.342 12.224
20 2HD1 LEU 3 2HD1 LEU 3 2.743 -2.687 11.792
21 3HD1 LEU 3 3HD1 LEU 3 2.873 -3.213 13.485
22 1HD2 LEU 3 1HD2 LEU 3 0.463 -5.009 13.046
23 2HD2 LEU 3 2HD2 LEU 3 -0.478 -3.987 14.127
24 3HD2 LEU 3 3HD2 LEU 3 -0.900 -4.081 12.414
25 1HG LEU 3 1HG LEU 3 0.477 -2.449 11.841
26 H GLU 4 H GLU 4 -0.325 1.965 13.081
27 HA GLU 4 HA GLU 4 -0.541 2.459 16.001
28 1HB GLU 4 1HB GLU 4 0.641 4.026 13.788
29 2HB GLU 4 2HB GLU 4 -0.509 4.954 14.753
30 1HG GLU 4 1HG GLU 4 0.709 4.583 16.759
31 2HG GLU 4 2HG GLU 4 1.588 3.213 16.086
32 HA PRO 5 HA PRO 5 -4.867 3.178 15.351
33 1HB PRO 5 1HB PRO 5 -5.477 5.101 17.221
34 2HB PRO 5 2HB PRO 5 -5.062 3.416 17.628
35 1HG PRO 5 1HG PRO 5 -3.356 5.879 17.832
36 2HG PRO 5 2HG PRO 5 -3.378 4.421 18.872
37 1HD PRO 5 1HD PRO 5 -1.571 4.992 16.778
38 2HD PRO 5 2HD PRO 5 -1.786 3.404 17.573
39 H GLU 6 H GLU 6 -2.698 5.091 14.029
40 HA GLU 6 HA GLU 6 -3.714 7.613 13.455
41 1HB GLU 6 1HB GLU 6 -2.314 7.535 11.501
42 2HB GLU 6 2HB GLU 6 -1.489 6.790 12.860
43 1HG GLU 6 1HG GLU 6 -2.785 4.628 11.535
44 2HG GLU 6 2HG GLU 6 -2.223 5.673 10.237
45 H TYR 7 H TYR 7 -5.282 8.455 12.214
46 HA TYR 7 HA TYR 7 -7.442 6.784 11.394
47 1HB TYR 7 1HB TYR 7 -6.718 9.698 11.114
48 2HB TYR 7 2HB TYR 7 -8.044 9.092 10.157
49 HD1 TYR 7 HD1 TYR 7 -7.330 10.641 13.197
50 HD2 TYR 7 HD2 TYR 7 -9.750 7.460 11.572
51 HE1 TYR 7 HE1 TYR 7 -8.994 10.926 15.051
52 HE2 TYR 7 HE2 TYR 7 -11.364 7.718 13.411
53 HH TYR 7 HH TYR 7 -11.913 8.887 15.285
54 HA PRO 8 HA PRO 8 -6.393 5.756 7.211
55 1HB PRO 8 1HB PRO 8 -8.847 5.701 5.939
56 2HB PRO 8 2HB PRO 8 -8.283 4.458 7.090
57 1HG PRO 8 1HG PRO 8 -10.237 6.694 7.534
58 2HG PRO 8 2HG PRO 8 -10.206 5.052 8.249
59 1HD PRO 8 1HD PRO 8 -9.294 7.433 9.433
60 2HD PRO 8 2HD PRO 8 -8.909 5.778 10.001
61 H GLY 9 H GLY 9 -6.776 6.483 4.892
62 1HA GLY 9 1HA GLY 9 -7.472 8.528 3.522
63 2HA GLY 9 2HA GLY 9 -6.601 9.461 4.748
64 H ASP 10 H ASP 10 -6.243 8.526 1.667
65 HA ASP 10 HA ASP 10 -3.544 7.496 1.635
66 1HB ASP 10 1HB ASP 10 -3.804 7.953 -0.800
67 2HB ASP 10 2HB ASP 10 -5.055 6.919 -0.123
68 H ASN 11 H ASN 11 -2.528 9.063 3.066
69 HA ASN 11 HA ASN 11 -1.178 11.182 1.639
70 1HB ASN 11 1HB ASN 11 -1.995 13.082 3.131
71 2HB ASN 11 2HB ASN 11 -3.083 12.566 1.859
72 1HD2 ASN 11 1HD2 ASN 11 -4.904 11.152 2.471
73 2HD2 ASN 11 2HD2 ASN 11 -5.446 11.237 4.178
74 H ALA 12 H ALA 12 0.504 9.690 2.499
75 HA ALA 12 HA ALA 12 1.600 10.852 4.911
76 1HB ALA 12 1HB ALA 12 1.759 8.743 6.194
77 2HB ALA 12 2HB ALA 12 0.070 9.137 5.873
78 3HB ALA 12 3HB ALA 12 0.869 7.892 4.902
79 H THR 13 H THR 13 3.605 9.229 5.479
80 HA THR 13 HA THR 13 5.602 9.629 3.578
81 HB THR 13 HB THR 13 6.844 7.920 4.970
82 HG1 THR 13 HG1 THR 13 5.288 6.552 5.709
83 1HG2 THR 13 1HG2 THR 13 6.648 10.355 5.672
84 2HG2 THR 13 2HG2 THR 13 5.292 9.865 6.721
85 3HG2 THR 13 3HG2 THR 13 6.907 9.194 6.992
86 HA PRO 14 HA PRO 14 4.905 6.522 0.566
87 1HB PRO 14 1HB PRO 14 7.461 5.964 -0.360
88 2HB PRO 14 2HB PRO 14 6.504 7.414 -0.766
89 1HG PRO 14 1HG PRO 14 8.790 7.154 1.148
90 2HG PRO 14 2HG PRO 14 8.282 8.561 0.168
91 1HD PRO 14 1HD PRO 14 7.763 8.153 2.904
92 2HD PRO 14 2HD PRO 14 6.932 9.335 1.853
93 H GLU 15 H GLU 15 6.672 5.746 3.378
94 HA GLU 15 HA GLU 15 6.742 2.844 2.970
95 1HB GLU 15 1HB GLU 15 7.639 2.776 5.219
96 2HB GLU 15 2HB GLU 15 8.463 4.042 4.302
97 1HG GLU 15 1HG GLU 15 7.061 5.764 5.356
98 2HG GLU 15 2HG GLU 15 6.169 4.546 6.255
99 H GLN 16 H GLN 16 4.289 5.127 3.964
100 HA GLN 16 HA GLN 16 2.965 3.195 5.766
101 1HB GLN 16 1HB GLN 16 3.174 5.770 6.075
102 2HB GLN 16 2HB GLN 16 1.868 5.896 4.916
103 1HG GLN 16 1HG GLN 16 1.573 4.039 7.301
104 2HG GLN 16 2HG GLN 16 1.512 5.769 7.585
105 1HE2 GLN 16 1HE2 GLN 16 -0.663 3.673 7.888
106 2HE2 GLN 16 2HE2 GLN 16 -1.940 4.415 6.923
107 H MET 17 H MET 17 2.173 4.983 2.768
108 HA MET 17 HA MET 17 -0.183 3.544 2.124
109 1HB MET 17 1HB MET 17 1.297 5.655 0.997
110 2HB MET 17 2HB MET 17 1.365 4.404 -0.245
111 1HG MET 17 1HG MET 17 -1.222 5.193 1.135
112 2HG MET 17 2HG MET 17 -0.619 6.076 -0.263
113 1HE MET 17 1HE MET 17 -3.367 5.175 -1.382
114 2HE MET 17 2HE MET 17 -3.752 3.494 -0.931
115 3HE MET 17 3HE MET 17 -3.327 4.671 0.327
116 H ALA 18 H ALA 18 3.159 2.577 1.771
117 HA ALA 18 HA ALA 18 3.007 0.489 -0.090
118 1HB ALA 18 1HB ALA 18 5.040 -0.277 0.928
119 2HB ALA 18 2HB ALA 18 5.046 1.486 1.092
120 3HB ALA 18 3HB ALA 18 4.633 0.469 2.487
121 H GLN 19 H GLN 19 1.882 0.558 3.283
122 HA GLN 19 HA GLN 19 1.380 -2.282 3.542
123 1HB GLN 19 1HB GLN 19 1.260 0.096 5.175
124 2HB GLN 19 2HB GLN 19 -0.323 -0.642 5.248
125 1HG GLN 19 1HG GLN 19 2.062 -2.457 5.608
126 2HG GLN 19 2HG GLN 19 1.752 -1.269 6.864
127 1HE2 GLN 19 1HE2 GLN 19 -0.370 -1.277 7.984
128 2HE2 GLN 19 2HE2 GLN 19 -1.272 -2.796 7.967
129 H TYR 20 H TYR 20 -0.774 0.515 2.921
130 HA TYR 20 HA TYR 20 -3.166 -0.959 2.408
131 1HB TYR 20 1HB TYR 20 -2.162 1.814 1.880
132 2HB TYR 20 2HB TYR 20 -3.427 1.248 0.812
133 HD1 TYR 20 HD1 TYR 20 -2.696 2.342 4.233
134 HD2 TYR 20 HD2 TYR 20 -5.638 0.538 1.643
135 HE1 TYR 20 HE1 TYR 20 -4.469 2.814 5.916
136 HE2 TYR 20 HE2 TYR 20 -7.414 1.037 3.316
137 HH TYR 20 HH TYR 20 -6.652 2.154 6.548
138 H ALA 21 H ALA 21 -0.641 0.212 0.117
139 HA ALA 21 HA ALA 21 -1.816 -0.747 -2.245
140 1HB ALA 21 1HB ALA 21 0.249 -0.285 -3.244
141 2HB ALA 21 2HB ALA 21 0.309 0.745 -1.806
142 3HB ALA 21 3HB ALA 21 1.185 -0.799 -1.823
143 H ALA 22 H ALA 22 0.433 -2.463 -0.013
144 HA ALA 22 HA ALA 22 0.495 -4.953 -1.382
145 1HB ALA 22 1HB ALA 22 1.053 -5.857 0.919
146 2HB ALA 22 2HB ALA 22 2.091 -4.530 0.347
147 3HB ALA 22 3HB ALA 22 0.828 -4.217 1.553
148 H GLU 23 H GLU 23 -1.668 -3.959 1.385
149 HA GLU 23 HA GLU 23 -3.277 -6.273 1.363
150 1HB GLU 23 1HB GLU 23 -3.330 -4.567 3.107
151 2HB GLU 23 2HB GLU 23 -4.173 -3.452 2.039
152 1HG GLU 23 1HG GLU 23 -5.424 -6.173 2.280
153 2HG GLU 23 2HG GLU 23 -5.319 -5.300 3.793
154 H LEU 24 H LEU 24 -3.742 -3.292 -0.568
155 HA LEU 24 HA LEU 24 -6.056 -4.001 -1.928
156 1HB LEU 24 1HB LEU 24 -4.677 -1.825 -1.886
157 2HB LEU 24 2HB LEU 24 -3.798 -2.462 -3.273
158 1HD1 LEU 24 1HD1 LEU 24 -5.593 0.001 -2.813
159 2HD1 LEU 24 2HD1 LEU 24 -5.045 -0.174 -4.495
160 3HD1 LEU 24 3HD1 LEU 24 -6.781 -0.087 -4.121
161 1HD2 LEU 24 1HD2 LEU 24 -4.918 -2.274 -5.564
162 2HD2 LEU 24 2HD2 LEU 24 -5.908 -3.628 -5.029
163 3HD2 LEU 24 3HD2 LEU 24 -6.693 -2.184 -5.636
164 1HG LEU 24 1HG LEU 24 -6.837 -2.237 -3.181
165 H ARG 25 H ARG 25 -2.690 -4.698 -3.018
166 HA ARG 25 HA ARG 25 -3.278 -6.172 -5.373
167 1HB ARG 25 1HB ARG 25 -1.007 -5.698 -4.927
168 2HB ARG 25 2HB ARG 25 -1.051 -6.422 -3.323
169 1HG ARG 25 1HG ARG 25 -1.239 -8.665 -4.229
170 2HG ARG 25 2HG ARG 25 -1.401 -8.037 -5.871
171 1HD ARG 25 1HD ARG 25 1.056 -7.025 -4.649
172 2HD ARG 25 2HD ARG 25 0.956 -8.762 -4.419
173 HE ARG 25 HNE ARG 25 1.108 -9.134 -6.716
174 1HH1 ARG 25 2HH2 ARG 25 0.693 -5.698 -6.226
175 2HH1 ARG 25 1HH2 ARG 25 1.038 -5.298 -7.886
176 1HH2 ARG 25 2HH1 ARG 25 1.590 -8.574 -8.861
177 2HH2 ARG 25 1HH1 ARG 25 1.585 -6.907 -9.320
178 H ARG 26 H ARG 26 -3.443 -7.266 -2.031
179 HA ARG 26 HA ARG 26 -4.118 -10.041 -2.749
180 1HB ARG 26 1HB ARG 26 -4.781 -9.034 -0.008
181 2HB ARG 26 2HB ARG 26 -4.041 -10.550 -0.518
182 1HG ARG 26 1HG ARG 26 -1.954 -8.975 -1.098
183 2HG ARG 26 2HG ARG 26 -2.843 -7.846 -0.066
184 1HD ARG 26 1HD ARG 26 -1.417 -8.758 1.440
185 2HD ARG 26 2HD ARG 26 -2.873 -9.752 1.673
186 HE ARG 26 HNE ARG 26 -1.076 -10.828 -0.334
187 1HH1 ARG 26 2HH2 ARG 26 -1.468 -10.638 3.105
188 2HH1 ARG 26 1HH2 ARG 26 -0.624 -12.118 3.456
189 1HH2 ARG 26 2HH1 ARG 26 0.183 -12.628 0.073
190 2HH2 ARG 26 1HH1 ARG 26 0.381 -13.208 1.694
191 H TYR 27 H TYR 27 -5.870 -7.197 -1.574
192 HA TYR 27 HA TYR 27 -8.473 -8.175 -1.423
193 1HB TYR 27 1HB TYR 27 -7.379 -5.790 -0.977
194 2HB TYR 27 2HB TYR 27 -8.012 -5.432 -2.570
195 HD1 TYR 27 HD1 TYR 27 -8.651 -4.771 0.623
196 HD2 TYR 27 HD2 TYR 27 -10.691 -6.719 -2.646
197 HE1 TYR 27 HE1 TYR 27 -10.808 -4.231 1.659
198 HE2 TYR 27 HE2 TYR 27 -12.863 -6.194 -1.592
199 HH TYR 27 HH TYR 27 -13.080 -4.413 1.486
200 H ILE 28 H ILE 28 -6.839 -6.798 -4.320
201 HA ILE 28 HA ILE 28 -8.842 -7.051 -6.249
202 HB ILE 28 HB ILE 28 -5.839 -7.315 -6.341
203 1HG1 ILE 28 1HG1 ILE 28 -7.782 -5.358 -7.628
204 2HG1 ILE 28 2HG1 ILE 28 -7.088 -5.146 -6.038
205 1HG2 ILE 28 1HG2 ILE 28 -7.690 -7.833 -8.692
206 2HG2 ILE 28 2HG2 ILE 28 -5.991 -7.347 -8.885
207 3HG2 ILE 28 3HG2 ILE 28 -6.380 -8.856 -8.094
208 1HD1 ILE 28 1HD1 ILE 28 -5.784 -3.838 -7.594
209 2HD1 ILE 28 2HD1 ILE 28 -4.784 -5.199 -7.062
210 3HD1 ILE 28 3HD1 ILE 28 -5.553 -5.212 -8.671
211 H ASN 29 H ASN 29 -6.549 -9.638 -5.361
212 HA ASN 29 HA ASN 29 -7.700 -11.643 -7.031
213 1HB ASN 29 1HB ASN 29 -5.407 -11.595 -5.907
214 2HB ASN 29 2HB ASN 29 -6.208 -12.046 -4.398
215 1HD2 ASN 29 1HD2 ASN 29 -5.647 -14.228 -4.087
216 2HD2 ASN 29 2HD2 ASN 29 -5.831 -15.401 -5.417
217 H MET 30 H MET 30 -8.265 -10.795 -3.622
218 HA MET 30 HA MET 30 -10.371 -12.702 -3.083
219 1HB MET 30 1HB MET 30 -9.030 -10.390 -1.748
220 2HB MET 30 2HB MET 30 -10.677 -10.687 -1.226
221 1HG MET 30 1HG MET 30 -8.677 -12.955 -1.451
222 2HG MET 30 2HG MET 30 -8.698 -11.914 -0.031
223 1HE MET 30 1HE MET 30 -10.362 -11.899 1.819
224 2HE MET 30 2HE MET 30 -11.600 -11.262 0.713
225 3HE MET 30 3HE MET 30 -11.981 -12.633 1.772
226 H LEU 31 H LEU 31 -10.454 -9.787 -4.846
227 HA LEU 31 HA LEU 31 -13.415 -9.550 -4.697
228 1HB LEU 31 1HB LEU 31 -12.602 -7.440 -4.339
229 2HB LEU 31 2HB LEU 31 -11.095 -7.774 -5.158
230 1HD1 LEU 31 1HD1 LEU 31 -14.612 -7.342 -5.851
231 2HD1 LEU 31 2HD1 LEU 31 -14.292 -5.704 -6.461
232 3HD1 LEU 31 3HD1 LEU 31 -14.388 -7.072 -7.581
233 1HD2 LEU 31 1HD2 LEU 31 -10.751 -5.865 -6.239
234 2HD2 LEU 31 2HD2 LEU 31 -11.926 -5.220 -7.374
235 3HD2 LEU 31 3HD2 LEU 31 -12.204 -5.060 -5.608
236 1HG LEU 31 1HG LEU 31 -12.201 -7.536 -7.344
237 H THR 32 H THR 32 -11.052 -11.078 -6.568
238 HA THR 32 HA THR 32 -10.981 -12.029 -8.633
239 HB THR 32 HB THR 32 -14.022 -11.948 -8.492
240 HG1 THR 32 HG1 THR 32 -12.050 -13.363 -7.167
241 1HG2 THR 32 1HG2 THR 32 -13.483 -12.809 -10.660
242 2HG2 THR 32 2HG2 THR 32 -12.089 -13.725 -10.032
243 3HG2 THR 32 3HG2 THR 32 -13.752 -14.217 -9.634
244 H ARG 33 H ARG 33 -10.991 -9.063 -8.368
245 HA ARG 33 HA ARG 33 -11.305 -8.440 -11.210
246 1HB ARG 33 1HB ARG 33 -13.473 -7.929 -9.681
247 2HB ARG 33 2HB ARG 33 -12.612 -6.426 -9.379
248 1HG ARG 33 1HG ARG 33 -12.875 -7.397 -12.230
249 2HG ARG 33 2HG ARG 33 -14.308 -6.813 -11.424
250 1HD ARG 33 1HD ARG 33 -11.777 -5.128 -11.420
251 2HD ARG 33 2HD ARG 33 -12.828 -5.148 -12.831
252 HE ARG 33 HNE ARG 33 -13.293 -3.753 -10.374
253 1HH1 ARG 33 2HH2 ARG 33 -15.068 -5.393 -12.899
254 2HH1 ARG 33 1HH2 ARG 33 -16.553 -4.537 -12.607
255 1HH2 ARG 33 2HH1 ARG 33 -15.243 -2.653 -9.992
256 2HH2 ARG 33 1HH1 ARG 33 -16.640 -3.076 -10.933
257 HA PRO 34 HA PRO 34 -7.667 -6.065 -9.957
258 1HB PRO 34 1HB PRO 34 -6.932 -5.054 -12.383
259 2HB PRO 34 2HB PRO 34 -6.699 -6.752 -11.898
260 1HG PRO 34 1HG PRO 34 -8.801 -5.605 -13.711
261 2HG PRO 34 2HG PRO 34 -7.962 -7.184 -13.798
262 1HD PRO 34 1HD PRO 34 -10.523 -6.712 -12.730
263 2HD PRO 34 2HD PRO 34 -9.535 -8.174 -12.455
264 H ARG 35 H ARG 35 -9.398 -4.903 -8.718
265 HA ARG 35 HA ARG 35 -10.476 -2.422 -9.587
266 1HB ARG 35 1HB ARG 35 -10.131 -3.732 -6.993
267 2HB ARG 35 2HB ARG 35 -9.660 -2.061 -6.857
268 1HG ARG 35 1HG ARG 35 -11.902 -1.518 -8.135
269 2HG ARG 35 2HG ARG 35 -12.375 -3.141 -7.640
270 1HD ARG 35 1HD ARG 35 -11.591 -2.364 -5.250
271 2HD ARG 35 2HD ARG 35 -11.656 -0.737 -5.954
272 HE ARG 35 HNE ARG 35 -14.113 -2.229 -6.407
273 1HH1 ARG 35 2HH2 ARG 35 -12.456 -0.382 -3.967
274 2HH1 ARG 35 1HH2 ARG 35 -13.908 0.026 -3.105
275 1HH2 ARG 35 2HH1 ARG 35 -16.055 -1.681 -5.300
276 2HH2 ARG 35 1HH1 ARG 35 -15.913 -0.761 -3.857
277 H TYR 36 H TYR 36 -9.719 -0.532 -9.965
278 HA TYR 36 HA TYR 36 -6.844 0.056 -9.652
279 1HB TYR 36 1HB TYR 36 -8.952 0.688 -11.554
280 2HB TYR 36 2HB TYR 36 -8.290 2.183 -10.934
281 HD1 TYR 36 HD1 TYR 36 -5.492 1.882 -10.614
282 HD2 TYR 36 HD2 TYR 36 -8.030 0.077 -13.602
283 HE1 TYR 36 HE1 TYR 36 -3.573 1.789 -12.190
284 HE2 TYR 36 HE2 TYR 36 -6.114 0.017 -15.190
285 HH TYR 36 HH TYR 36 -2.970 1.468 -14.397
286 1HN NH2 37 1HN NH2 37 -9.997 1.795 -8.862
287 2HN NH2 37 2HN NH2 37 -9.196 2.660 -7.543
Start of MODEL 18
1 1H ALA 1 1H ALA 1 -8.895 19.664 11.183
2 2H ALA 1 2H ALA 1 -9.120 21.250 10.814
3 3H ALA 1 3H ALA 1 -7.782 20.787 11.650
4 HA ALA 1 HA ALA 1 -9.411 19.875 13.348
5 1HB ALA 1 1HB ALA 1 -8.106 22.457 13.110
6 2HB ALA 1 2HB ALA 1 -9.630 22.596 14.013
7 3HB ALA 1 3HB ALA 1 -8.402 21.438 14.532
8 HA PRO 2 HA PRO 2 -13.400 22.254 12.522
9 1HB PRO 2 1HB PRO 2 -13.685 23.864 10.263
10 2HB PRO 2 2HB PRO 2 -13.204 24.420 11.886
11 1HG PRO 2 1HG PRO 2 -11.507 24.068 9.466
12 2HG PRO 2 2HG PRO 2 -11.261 25.120 10.888
13 1HD PRO 2 1HD PRO 2 -10.032 22.630 10.342
14 2HD PRO 2 2HD PRO 2 -9.936 23.561 11.862
15 H LEU 3 H LEU 3 -12.255 21.938 9.140
16 HA LEU 3 HA LEU 3 -13.397 19.337 8.614
17 1HB LEU 3 1HB LEU 3 -15.480 20.682 8.600
18 2HB LEU 3 2HB LEU 3 -14.691 21.903 7.619
19 1HD1 LEU 3 1HD1 LEU 3 -16.444 18.791 7.761
20 2HD1 LEU 3 2HD1 LEU 3 -16.519 18.435 6.027
21 3HD1 LEU 3 3HD1 LEU 3 -15.069 18.014 6.942
22 1HD2 LEU 3 1HD2 LEU 3 -16.185 22.055 6.072
23 2HD2 LEU 3 2HD2 LEU 3 -16.046 20.954 4.703
24 3HD2 LEU 3 3HD2 LEU 3 -17.288 20.675 5.941
25 1HG LEU 3 1HG LEU 3 -14.425 19.971 5.837
26 H GLU 4 H GLU 4 -11.970 18.572 7.166
27 HA GLU 4 HA GLU 4 -11.061 19.173 4.770
28 1HB GLU 4 1HB GLU 4 -9.694 21.099 6.599
29 2HB GLU 4 2HB GLU 4 -8.619 20.207 5.560
30 1HG GLU 4 1HG GLU 4 -11.052 21.632 4.419
31 2HG GLU 4 2HG GLU 4 -9.524 22.455 4.720
32 HA PRO 5 HA PRO 5 -7.752 16.387 6.613
33 1HB PRO 5 1HB PRO 5 -7.358 16.098 9.319
34 2HB PRO 5 2HB PRO 5 -6.530 17.311 8.300
35 1HG PRO 5 1HG PRO 5 -8.787 17.699 10.224
36 2HG PRO 5 2HG PRO 5 -7.502 18.841 9.710
37 1HD PRO 5 1HD PRO 5 -10.190 18.718 8.775
38 2HD PRO 5 2HD PRO 5 -8.858 19.695 8.088
39 H GLU 6 H GLU 6 -8.867 14.668 5.923
40 HA GLU 6 HA GLU 6 -10.135 12.910 7.872
41 1HB GLU 6 1HB GLU 6 -12.145 12.595 6.540
42 2HB GLU 6 2HB GLU 6 -12.009 14.264 7.061
43 1HG GLU 6 1HG GLU 6 -10.737 14.015 4.449
44 2HG GLU 6 2HG GLU 6 -12.258 13.155 4.388
45 H TYR 7 H TYR 7 -10.759 10.833 6.563
46 HA TYR 7 HA TYR 7 -8.693 9.335 5.655
47 1HB TYR 7 1HB TYR 7 -11.637 9.300 5.232
48 2HB TYR 7 2HB TYR 7 -10.700 8.334 4.121
49 HD1 TYR 7 HD1 TYR 7 -10.080 6.170 4.650
50 HD2 TYR 7 HD2 TYR 7 -11.026 8.919 7.840
51 HE1 TYR 7 HE1 TYR 7 -9.951 4.308 6.302
52 HE2 TYR 7 HE2 TYR 7 -10.881 7.068 9.480
53 HH TYR 7 HH TYR 7 -10.619 4.784 9.766
54 HA PRO 8 HA PRO 8 -7.929 11.651 1.821
55 1HB PRO 8 1HB PRO 8 -5.185 11.238 1.670
56 2HB PRO 8 2HB PRO 8 -5.986 12.546 2.578
57 1HG PRO 8 1HG PRO 8 -4.681 10.087 3.624
58 2HG PRO 8 2HG PRO 8 -4.998 11.650 4.433
59 1HD PRO 8 1HD PRO 8 -6.504 9.209 4.651
60 2HD PRO 8 2HD PRO 8 -6.864 10.780 5.394
61 H GLY 9 H GLY 9 -6.776 10.996 -0.245
62 1HA GLY 9 1HA GLY 9 -7.249 8.099 -0.851
63 2HA GLY 9 2HA GLY 9 -7.405 9.421 -2.010
64 H ASP 10 H ASP 10 -5.247 7.327 -0.302
65 HA ASP 10 HA ASP 10 -3.075 6.769 -0.399
66 1HB ASP 10 1HB ASP 10 -3.509 7.566 -3.290
67 2HB ASP 10 2HB ASP 10 -2.118 6.663 -2.690
68 H ASN 11 H ASN 11 -2.483 8.502 1.082
69 HA ASN 11 HA ASN 11 -0.301 10.081 0.033
70 1HB ASN 11 1HB ASN 11 -2.470 11.400 -0.577
71 2HB ASN 11 2HB ASN 11 -2.577 11.773 1.137
72 1HD2 ASN 11 1HD2 ASN 11 -0.657 12.857 2.117
73 2HD2 ASN 11 2HD2 ASN 11 0.339 13.865 1.031
74 H ALA 12 H ALA 12 0.948 9.044 1.642
75 HA ALA 12 HA ALA 12 0.922 10.340 4.199
76 1HB ALA 12 1HB ALA 12 0.536 8.392 5.602
77 2HB ALA 12 2HB ALA 12 -0.840 8.524 4.503
78 3HB ALA 12 3HB ALA 12 0.427 7.330 4.177
79 H THR 13 H THR 13 2.606 8.883 5.609
80 HA THR 13 HA THR 13 5.153 9.227 4.596
81 HB THR 13 HB THR 13 5.808 7.667 6.457
82 HG1 THR 13 HG1 THR 13 4.053 6.913 7.750
83 1HG2 THR 13 1HG2 THR 13 5.236 10.109 6.887
84 2HG2 THR 13 2HG2 THR 13 3.616 9.566 7.382
85 3HG2 THR 13 3HG2 THR 13 5.048 9.021 8.275
86 HA PRO 14 HA PRO 14 5.832 5.861 1.824
87 1HB PRO 14 1HB PRO 14 8.568 5.500 1.986
88 2HB PRO 14 2HB PRO 14 7.766 6.853 1.143
89 1HG PRO 14 1HG PRO 14 9.147 6.851 3.796
90 2HG PRO 14 2HG PRO 14 8.974 8.173 2.605
91 1HD PRO 14 1HD PRO 14 7.454 7.793 4.961
92 2HD PRO 14 2HD PRO 14 7.069 8.921 3.630
93 H GLU 15 H GLU 15 6.117 5.465 5.135
94 HA GLU 15 HA GLU 15 6.628 2.554 5.066
95 1HB GLU 15 1HB GLU 15 6.678 2.664 7.456
96 2HB GLU 15 2HB GLU 15 7.692 3.966 6.826
97 1HG GLU 15 1HG GLU 15 5.976 5.618 7.286
98 2HG GLU 15 2HG GLU 15 4.806 4.380 7.741
99 H GLN 16 H GLN 16 3.929 4.684 4.763
100 HA GLN 16 HA GLN 16 2.069 2.610 5.860
101 1HB GLN 16 1HB GLN 16 2.006 5.067 6.661
102 2HB GLN 16 2HB GLN 16 1.365 5.445 5.062
103 1HG GLN 16 1HG GLN 16 -0.219 3.266 5.848
104 2HG GLN 16 2HG GLN 16 0.095 4.072 7.377
105 1HE2 GLN 16 1HE2 GLN 16 -1.051 6.047 7.800
106 2HE2 GLN 16 2HE2 GLN 16 -2.196 6.659 6.600
107 H MET 17 H MET 17 2.503 4.785 3.030
108 HA MET 17 HA MET 17 0.426 3.654 1.456
109 1HB MET 17 1HB MET 17 2.075 5.792 1.204
110 2HB MET 17 2HB MET 17 2.887 4.704 0.079
111 1HG MET 17 1HG MET 17 -0.120 5.176 -0.010
112 2HG MET 17 2HG MET 17 0.993 6.310 -0.758
113 1HE MET 17 1HE MET 17 2.949 4.262 -3.241
114 2HE MET 17 2HE MET 17 1.928 5.667 -3.633
115 3HE MET 17 3HE MET 17 2.878 5.650 -2.134
116 H ALA 18 H ALA 18 3.738 2.600 1.985
117 HA ALA 18 HA ALA 18 3.698 0.397 0.081
118 1HB ALA 18 1HB ALA 18 5.880 -0.135 1.277
119 2HB ALA 18 2HB ALA 18 5.785 1.470 0.530
120 3HB ALA 18 3HB ALA 18 5.592 1.291 2.290
121 H GLN 19 H GLN 19 1.830 0.707 2.711
122 HA GLN 19 HA GLN 19 2.004 -2.174 3.472
123 1HB GLN 19 1HB GLN 19 2.109 0.188 5.129
124 2HB GLN 19 2HB GLN 19 0.536 -0.544 5.379
125 1HG GLN 19 1HG GLN 19 1.848 -1.579 6.979
126 2HG GLN 19 2HG GLN 19 1.786 -2.783 5.690
127 1HE2 GLN 19 1HE2 GLN 19 3.795 -3.371 7.291
128 2HE2 GLN 19 2HE2 GLN 19 5.298 -2.694 6.620
129 H TYR 20 H TYR 20 -0.308 0.576 3.276
130 HA TYR 20 HA TYR 20 -2.643 -1.063 3.127
131 1HB TYR 20 1HB TYR 20 -2.185 1.575 3.466
132 2HB TYR 20 2HB TYR 20 -2.615 1.618 1.770
133 HD1 TYR 20 HD1 TYR 20 -4.880 -0.239 1.459
134 HD2 TYR 20 HD2 TYR 20 -3.899 2.357 4.772
135 HE1 TYR 20 HE1 TYR 20 -7.238 -0.244 2.151
136 HE2 TYR 20 HE2 TYR 20 -6.300 2.388 5.433
137 HH TYR 20 HH TYR 20 -8.547 0.176 4.359
138 H ALA 21 H ALA 21 -0.565 0.278 0.485
139 HA ALA 21 HA ALA 21 -2.218 -0.490 -1.677
140 1HB ALA 21 1HB ALA 21 0.827 -0.410 -1.622
141 2HB ALA 21 2HB ALA 21 -0.241 -0.180 -3.029
142 3HB ALA 21 3HB ALA 21 -0.210 1.030 -1.734
143 H ALA 22 H ALA 22 0.242 -2.372 0.100
144 HA ALA 22 HA ALA 22 0.143 -4.748 -1.497
145 1HB ALA 22 1HB ALA 22 0.886 -4.242 1.412
146 2HB ALA 22 2HB ALA 22 1.041 -5.814 0.619
147 3HB ALA 22 3HB ALA 22 1.975 -4.426 0.025
148 H GLU 23 H GLU 23 -2.096 -3.453 0.909
149 HA GLU 23 HA GLU 23 -3.586 -5.877 1.359
150 1HB GLU 23 1HB GLU 23 -3.482 -3.423 2.600
151 2HB GLU 23 2HB GLU 23 -4.978 -3.277 1.678
152 1HG GLU 23 1HG GLU 23 -5.643 -4.191 3.739
153 2HG GLU 23 2HG GLU 23 -5.622 -5.578 2.649
154 H LEU 24 H LEU 24 -3.960 -3.053 -0.821
155 HA LEU 24 HA LEU 24 -6.437 -3.810 -2.019
156 1HB LEU 24 1HB LEU 24 -5.446 -1.553 -2.308
157 2HB LEU 24 2HB LEU 24 -4.102 -2.265 -3.203
158 1HD1 LEU 24 1HD1 LEU 24 -8.025 -2.479 -4.856
159 2HD1 LEU 24 2HD1 LEU 24 -7.763 -2.397 -3.108
160 3HD1 LEU 24 3HD1 LEU 24 -7.694 -0.921 -4.073
161 1HD2 LEU 24 1HD2 LEU 24 -4.402 -0.773 -4.834
162 2HD2 LEU 24 2HD2 LEU 24 -5.166 -1.564 -6.210
163 3HD2 LEU 24 3HD2 LEU 24 -6.022 -0.283 -5.341
164 1HG LEU 24 1HG LEU 24 -5.865 -3.142 -4.868
165 H ARG 25 H ARG 25 -3.093 -4.565 -3.028
166 HA ARG 25 HA ARG 25 -3.568 -6.188 -5.284
167 1HB ARG 25 1HB ARG 25 -1.349 -5.688 -4.744
168 2HB ARG 25 2HB ARG 25 -1.474 -6.269 -3.096
169 1HG ARG 25 1HG ARG 25 -1.849 -8.228 -5.374
170 2HG ARG 25 2HG ARG 25 -0.234 -7.663 -4.992
171 1HD ARG 25 1HD ARG 25 -0.034 -9.131 -3.328
172 2HD ARG 25 2HD ARG 25 -1.358 -8.363 -2.476
173 HE ARG 25 HNE ARG 25 -2.618 -10.214 -2.893
174 1HH1 ARG 25 2HH2 ARG 25 -0.388 -10.026 -5.547
175 2HH1 ARG 25 1HH2 ARG 25 -0.933 -11.511 -6.286
176 1HH2 ARG 25 2HH1 ARG 25 -3.290 -12.160 -3.837
177 2HH2 ARG 25 1HH1 ARG 25 -2.558 -12.675 -5.318
178 H ARG 26 H ARG 26 -4.068 -7.019 -1.913
179 HA ARG 26 HA ARG 26 -4.674 -9.852 -2.447
180 1HB ARG 26 1HB ARG 26 -5.592 -8.551 0.107
181 2HB ARG 26 2HB ARG 26 -4.916 -10.157 -0.188
182 1HG ARG 26 1HG ARG 26 -2.709 -8.804 -0.740
183 2HG ARG 26 2HG ARG 26 -3.553 -7.503 0.081
184 1HD ARG 26 1HD ARG 26 -2.825 -8.239 2.029
185 2HD ARG 26 2HD ARG 26 -3.773 -9.724 1.805
186 HE ARG 26 HNE ARG 26 -1.257 -9.691 0.335
187 1HH1 ARG 26 2HH2 ARG 26 -2.517 -10.289 3.505
188 2HH1 ARG 26 1HH2 ARG 26 -1.256 -11.432 3.938
189 1HH2 ARG 26 2HH1 ARG 26 0.382 -11.123 0.883
190 2HH2 ARG 26 1HH1 ARG 26 0.335 -11.917 2.425
191 H TYR 27 H TYR 27 -6.528 -6.967 -1.507
192 HA TYR 27 HA TYR 27 -9.117 -7.951 -1.607
193 1HB TYR 27 1HB TYR 27 -8.111 -5.553 -1.123
194 2HB TYR 27 2HB TYR 27 -8.466 -5.257 -2.816
195 HD1 TYR 27 HD1 TYR 27 -10.017 -6.559 0.342
196 HD2 TYR 27 HD2 TYR 27 -10.647 -4.468 -3.377
197 HE1 TYR 27 HE1 TYR 27 -12.349 -5.996 1.048
198 HE2 TYR 27 HE2 TYR 27 -12.960 -3.894 -2.664
199 HH TYR 27 HH TYR 27 -14.418 -3.837 -0.831
200 H ILE 28 H ILE 28 -7.145 -6.894 -4.367
201 HA ILE 28 HA ILE 28 -9.004 -7.309 -6.459
202 HB ILE 28 HB ILE 28 -6.001 -7.343 -6.271
203 1HG1 ILE 28 1HG1 ILE 28 -7.746 -5.466 -7.890
204 2HG1 ILE 28 2HG1 ILE 28 -7.561 -5.231 -6.151
205 1HG2 ILE 28 1HG2 ILE 28 -6.407 -7.142 -9.001
206 2HG2 ILE 28 2HG2 ILE 28 -5.879 -8.602 -8.144
207 3HG2 ILE 28 3HG2 ILE 28 -7.572 -8.373 -8.544
208 1HD1 ILE 28 1HD1 ILE 28 -5.184 -5.420 -8.046
209 2HD1 ILE 28 2HD1 ILE 28 -5.920 -3.903 -7.482
210 3HD1 ILE 28 3HD1 ILE 28 -5.168 -5.011 -6.322
211 H ASN 29 H ASN 29 -6.431 -9.642 -5.495
212 HA ASN 29 HA ASN 29 -7.447 -11.779 -7.088
213 1HB ASN 29 1HB ASN 29 -5.155 -11.516 -5.954
214 2HB ASN 29 2HB ASN 29 -5.928 -12.094 -4.469
215 1HD2 ASN 29 1HD2 ASN 29 -5.679 -14.381 -4.197
216 2HD2 ASN 29 2HD2 ASN 29 -5.487 -15.411 -5.625
217 H MET 30 H MET 30 -8.221 -10.740 -3.794
218 HA MET 30 HA MET 30 -9.941 -12.905 -3.066
219 1HB MET 30 1HB MET 30 -8.792 -10.935 -1.666
220 2HB MET 30 2HB MET 30 -10.318 -10.112 -1.987
221 1HG MET 30 1HG MET 30 -10.828 -11.183 -0.012
222 2HG MET 30 2HG MET 30 -11.334 -12.435 -1.139
223 1HE MET 30 1HE MET 30 -7.276 -11.840 0.375
224 2HE MET 30 2HE MET 30 -8.682 -10.877 0.872
225 3HE MET 30 3HE MET 30 -8.099 -12.189 1.913
226 H LEU 31 H LEU 31 -10.449 -10.431 -5.368
227 HA LEU 31 HA LEU 31 -13.401 -10.791 -5.277
228 1HB LEU 31 1HB LEU 31 -13.594 -8.601 -5.498
229 2HB LEU 31 2HB LEU 31 -11.896 -8.474 -5.247
230 1HD1 LEU 31 1HD1 LEU 31 -14.523 -8.826 -7.629
231 2HD1 LEU 31 2HD1 LEU 31 -14.229 -7.137 -8.023
232 3HD1 LEU 31 3HD1 LEU 31 -13.632 -8.428 -9.093
233 1HD2 LEU 31 1HD2 LEU 31 -11.964 -6.440 -6.115
234 2HD2 LEU 31 2HD2 LEU 31 -10.808 -6.840 -7.389
235 3HD2 LEU 31 3HD2 LEU 31 -12.344 -6.085 -7.799
236 1HG LEU 31 1HG LEU 31 -11.762 -8.792 -7.885
237 H THR 32 H THR 32 -10.793 -12.211 -6.688
238 HA THR 32 HA THR 32 -10.393 -13.330 -8.635
239 HB THR 32 HB THR 32 -13.378 -13.302 -9.155
240 HG1 THR 32 HG1 THR 32 -13.114 -13.911 -7.050
241 1HG2 THR 32 1HG2 THR 32 -11.715 -15.774 -9.470
242 2HG2 THR 32 2HG2 THR 32 -13.129 -15.202 -10.381
243 3HG2 THR 32 3HG2 THR 32 -11.526 -14.525 -10.708
244 H ARG 33 H ARG 33 -10.311 -10.415 -8.682
245 HA ARG 33 HA ARG 33 -11.629 -9.058 -10.633
246 1HB ARG 33 1HB ARG 33 -9.800 -8.138 -9.110
247 2HB ARG 33 2HB ARG 33 -8.648 -8.754 -10.301
248 1HG ARG 33 1HG ARG 33 -8.795 -6.721 -11.267
249 2HG ARG 33 2HG ARG 33 -10.314 -7.300 -11.941
250 1HD ARG 33 1HD ARG 33 -11.370 -6.436 -9.721
251 2HD ARG 33 2HD ARG 33 -9.845 -5.540 -9.527
252 HE ARG 33 HNE ARG 33 -11.267 -5.238 -12.094
253 1HH1 ARG 33 2HH2 ARG 33 -10.772 -3.784 -8.942
254 2HH1 ARG 33 1HH2 ARG 33 -11.524 -2.278 -9.392
255 1HH2 ARG 33 2HH1 ARG 33 -12.204 -3.288 -12.635
256 2HH2 ARG 33 1HH1 ARG 33 -12.271 -2.003 -11.461
257 HA PRO 34 HA PRO 34 -10.316 -11.366 -14.285
258 1HB PRO 34 1HB PRO 34 -11.894 -10.084 -16.161
259 2HB PRO 34 2HB PRO 34 -12.469 -11.381 -15.074
260 1HG PRO 34 1HG PRO 34 -12.949 -8.431 -14.895
261 2HG PRO 34 2HG PRO 34 -13.982 -9.786 -14.349
262 1HD PRO 34 1HD PRO 34 -12.260 -8.196 -12.756
263 2HD PRO 34 2HD PRO 34 -13.042 -9.724 -12.255
264 H ARG 35 H ARG 35 -9.258 -10.829 -16.280
265 HA ARG 35 HA ARG 35 -7.511 -9.928 -17.402
266 1HB ARG 35 1HB ARG 35 -9.545 -8.316 -17.888
267 2HB ARG 35 2HB ARG 35 -8.634 -7.160 -16.945
268 1HG ARG 35 1HG ARG 35 -7.627 -6.674 -18.941
269 2HG ARG 35 2HG ARG 35 -6.620 -8.073 -18.575
270 1HD ARG 35 1HD ARG 35 -8.932 -9.184 -19.756
271 2HD ARG 35 2HD ARG 35 -8.680 -7.683 -20.656
272 HE ARG 35 HNE ARG 35 -6.178 -8.868 -20.629
273 1HH1 ARG 35 2HH2 ARG 35 -9.325 -9.858 -21.736
274 2HH1 ARG 35 1HH2 ARG 35 -8.701 -11.012 -22.902
275 1HH2 ARG 35 2HH1 ARG 35 -5.396 -10.275 -22.238
276 2HH2 ARG 35 1HH1 ARG 35 -6.514 -11.245 -23.148
277 H TYR 36 H TYR 36 -5.852 -10.472 -16.037
278 HA TYR 36 HA TYR 36 -5.022 -9.103 -13.736
279 1HB TYR 36 1HB TYR 36 -4.332 -11.406 -14.741
280 2HB TYR 36 2HB TYR 36 -3.092 -10.507 -15.600
281 HD1 TYR 36 HD1 TYR 36 -1.569 -8.909 -14.069
282 HD2 TYR 36 HD2 TYR 36 -3.931 -12.218 -12.597
283 HE1 TYR 36 HE1 TYR 36 -0.186 -8.991 -12.004
284 HE2 TYR 36 HE2 TYR 36 -2.533 -12.313 -10.558
285 HH TYR 36 HH TYR 36 -1.032 -11.059 -9.300
286 1HN NH2 37 1HN NH2 37 -4.281 -6.986 -13.510
287 2HN NH2 37 2HN NH2 37 -3.350 -6.180 -14.777
Start of MODEL 19
1 1H ALA 1 1H ALA 1 -5.112 -4.480 21.220
2 2H ALA 1 2H ALA 1 -5.199 -6.119 21.409
3 3H ALA 1 3H ALA 1 -3.736 -5.389 21.167
4 HA ALA 1 HA ALA 1 -4.067 -6.078 19.059
5 1HB ALA 1 1HB ALA 1 -6.074 -7.310 19.362
6 2HB ALA 1 2HB ALA 1 -7.026 -5.850 19.737
7 3HB ALA 1 3HB ALA 1 -6.446 -6.146 18.088
8 HA PRO 2 HA PRO 2 -4.014 -1.932 17.440
9 1HB PRO 2 1HB PRO 2 -3.846 -2.369 14.721
10 2HB PRO 2 2HB PRO 2 -2.533 -2.676 15.877
11 1HG PRO 2 1HG PRO 2 -4.365 -4.654 14.563
12 2HG PRO 2 2HG PRO 2 -2.651 -4.831 15.046
13 1HD PRO 2 1HD PRO 2 -4.915 -5.741 16.470
14 2HD PRO 2 2HD PRO 2 -3.254 -5.615 17.115
15 H LEU 3 H LEU 3 -6.351 -2.063 18.402
16 HA LEU 3 HA LEU 3 -8.378 -1.460 16.280
17 1HB LEU 3 1HB LEU 3 -8.546 -2.968 18.883
18 2HB LEU 3 2HB LEU 3 -9.915 -1.980 18.431
19 1HD1 LEU 3 1HD1 LEU 3 -11.042 -3.898 15.525
20 2HD1 LEU 3 2HD1 LEU 3 -11.300 -2.428 16.473
21 3HD1 LEU 3 3HD1 LEU 3 -9.964 -2.514 15.307
22 1HD2 LEU 3 1HD2 LEU 3 -8.868 -5.610 16.725
23 2HD2 LEU 3 2HD2 LEU 3 -8.465 -4.407 15.485
24 3HD2 LEU 3 3HD2 LEU 3 -7.611 -4.406 17.033
25 1HG LEU 3 1HG LEU 3 -10.271 -4.247 17.797
26 H GLU 4 H GLU 4 -7.847 0.603 16.087
27 HA GLU 4 HA GLU 4 -9.063 2.703 17.299
28 1HB GLU 4 1HB GLU 4 -6.750 1.927 19.000
29 2HB GLU 4 2HB GLU 4 -6.676 3.578 18.422
30 1HG GLU 4 1HG GLU 4 -9.027 3.951 19.253
31 2HG GLU 4 2HG GLU 4 -8.974 2.358 19.996
32 HA PRO 5 HA PRO 5 -5.533 4.545 14.759
33 1HB PRO 5 1HB PRO 5 -3.313 3.119 13.990
34 2HB PRO 5 2HB PRO 5 -3.467 3.985 15.540
35 1HG PRO 5 1HG PRO 5 -3.677 1.040 15.009
36 2HG PRO 5 2HG PRO 5 -3.086 1.899 16.464
37 1HD PRO 5 1HD PRO 5 -5.639 0.752 16.087
38 2HD PRO 5 2HD PRO 5 -5.163 1.870 17.394
39 H GLU 6 H GLU 6 -7.380 4.343 13.370
40 HA GLU 6 HA GLU 6 -6.599 3.362 10.743
41 1HB GLU 6 1HB GLU 6 -8.584 2.044 10.322
42 2HB GLU 6 2HB GLU 6 -7.692 1.380 11.670
43 1HG GLU 6 1HG GLU 6 -9.552 1.312 12.865
44 2HG GLU 6 2HG GLU 6 -9.553 3.052 12.946
45 H TYR 7 H TYR 7 -7.532 4.685 9.087
46 HA TYR 7 HA TYR 7 -9.882 6.214 9.639
47 1HB TYR 7 1HB TYR 7 -7.616 7.431 10.613
48 2HB TYR 7 2HB TYR 7 -7.584 8.030 8.970
49 HD1 TYR 7 HD1 TYR 7 -8.663 10.112 8.649
50 HD2 TYR 7 HD2 TYR 7 -10.076 7.477 11.769
51 HE1 TYR 7 HE1 TYR 7 -10.320 11.838 9.387
52 HE2 TYR 7 HE2 TYR 7 -11.702 9.184 12.495
53 HH TYR 7 HH TYR 7 -12.208 11.453 12.342
54 HA PRO 8 HA PRO 8 -9.725 6.043 5.133
55 1HB PRO 8 1HB PRO 8 -11.658 7.901 4.453
56 2HB PRO 8 2HB PRO 8 -12.007 6.274 5.091
57 1HG PRO 8 1HG PRO 8 -12.127 8.912 6.503
58 2HG PRO 8 2HG PRO 8 -13.107 7.437 6.760
59 1HD PRO 8 1HD PRO 8 -10.874 8.294 8.251
60 2HD PRO 8 2HD PRO 8 -11.633 6.685 8.352
61 H GLY 9 H GLY 9 -9.667 7.717 3.211
62 1HA GLY 9 1HA GLY 9 -8.750 9.638 2.231
63 2HA GLY 9 2HA GLY 9 -8.076 10.142 3.782
64 H ASP 10 H ASP 10 -7.255 9.098 0.784
65 HA ASP 10 HA ASP 10 -4.932 7.479 1.492
66 1HB ASP 10 1HB ASP 10 -5.767 8.423 -1.270
67 2HB ASP 10 2HB ASP 10 -4.754 7.052 -0.824
68 H ASN 11 H ASN 11 -3.650 9.004 2.637
69 HA ASN 11 HA ASN 11 -1.844 10.502 0.995
70 1HB ASN 11 1HB ASN 11 -4.106 11.998 1.474
71 2HB ASN 11 2HB ASN 11 -3.162 12.445 2.873
72 1HD2 ASN 11 1HD2 ASN 11 -2.508 14.566 2.296
73 2HD2 ASN 11 2HD2 ASN 11 -1.657 14.826 0.761
74 H ALA 12 H ALA 12 -0.157 9.433 2.013
75 HA ALA 12 HA ALA 12 0.645 10.478 4.560
76 1HB ALA 12 1HB ALA 12 -0.933 8.501 5.134
77 2HB ALA 12 2HB ALA 12 0.309 7.454 4.429
78 3HB ALA 12 3HB ALA 12 0.685 8.467 5.847
79 H THR 13 H THR 13 2.784 9.192 5.185
80 HA THR 13 HA THR 13 4.739 9.653 3.260
81 HB THR 13 HB THR 13 6.189 8.254 4.751
82 HG1 THR 13 HG1 THR 13 5.288 7.127 6.370
83 1HG2 THR 13 1HG2 THR 13 5.637 10.652 5.341
84 2HG2 THR 13 2HG2 THR 13 4.344 10.035 6.398
85 3HG2 THR 13 3HG2 THR 13 6.035 9.618 6.727
86 HA PRO 14 HA PRO 14 4.573 6.180 0.556
87 1HB PRO 14 1HB PRO 14 7.192 5.947 -0.294
88 2HB PRO 14 2HB PRO 14 6.052 7.211 -0.830
89 1HG PRO 14 1HG PRO 14 8.308 7.429 1.123
90 2HG PRO 14 2HG PRO 14 7.632 8.666 0.021
91 1HD PRO 14 1HD PRO 14 7.107 8.393 2.778
92 2HD PRO 14 2HD PRO 14 6.170 9.387 1.627
93 H GLU 15 H GLU 15 6.166 5.978 3.528
94 HA GLU 15 HA GLU 15 6.746 3.083 3.327
95 1HB GLU 15 1HB GLU 15 7.675 3.267 5.494
96 2HB GLU 15 2HB GLU 15 8.313 4.594 4.525
97 1HG GLU 15 1HG GLU 15 6.941 6.216 5.606
98 2HG GLU 15 2HG GLU 15 5.934 5.005 6.392
99 H GLN 16 H GLN 16 4.088 5.172 4.223
100 HA GLN 16 HA GLN 16 2.890 3.122 6.003
101 1HB GLN 16 1HB GLN 16 2.896 5.695 6.452
102 2HB GLN 16 2HB GLN 16 1.674 5.782 5.197
103 1HG GLN 16 1HG GLN 16 0.265 5.499 6.972
104 2HG GLN 16 2HG GLN 16 0.569 3.788 6.683
105 1HE2 GLN 16 1HE2 GLN 16 -0.249 4.888 9.264
106 2HE2 GLN 16 2HE2 GLN 16 1.184 4.720 10.293
107 H MET 17 H MET 17 2.080 4.988 3.034
108 HA MET 17 HA MET 17 -0.280 3.491 2.426
109 1HB MET 17 1HB MET 17 0.596 5.793 1.542
110 2HB MET 17 2HB MET 17 1.419 4.843 0.306
111 1HG MET 17 1HG MET 17 -1.496 4.241 0.757
112 2HG MET 17 2HG MET 17 -1.103 5.837 0.138
113 1HE MET 17 1HE MET 17 -2.929 4.182 -2.177
114 2HE MET 17 2HE MET 17 -2.390 5.794 -1.659
115 3HE MET 17 3HE MET 17 -1.904 5.170 -3.244
116 H ALA 18 H ALA 18 3.079 2.735 1.958
117 HA ALA 18 HA ALA 18 2.963 0.741 -0.049
118 1HB ALA 18 1HB ALA 18 5.030 -0.111 1.118
119 2HB ALA 18 2HB ALA 18 5.066 1.613 0.722
120 3HB ALA 18 3HB ALA 18 4.752 1.093 2.396
121 H GLN 19 H GLN 19 1.968 0.597 3.376
122 HA GLN 19 HA GLN 19 1.723 -2.303 3.457
123 1HB GLN 19 1HB GLN 19 1.522 -0.055 5.285
124 2HB GLN 19 2HB GLN 19 0.065 -1.015 5.444
125 1HG GLN 19 1HG GLN 19 2.733 -2.446 5.418
126 2HG GLN 19 2HG GLN 19 2.309 -1.486 6.827
127 1HE2 GLN 19 1HE2 GLN 19 1.128 -2.525 8.439
128 2HE2 GLN 19 2HE2 GLN 19 0.207 -3.990 8.089
129 H TYR 20 H TYR 20 -0.708 0.338 3.341
130 HA TYR 20 HA TYR 20 -2.982 -1.246 2.786
131 1HB TYR 20 1HB TYR 20 -2.202 1.631 2.364
132 2HB TYR 20 2HB TYR 20 -3.608 1.043 1.502
133 HD1 TYR 20 HD1 TYR 20 -5.372 -0.329 2.892
134 HD2 TYR 20 HD2 TYR 20 -2.576 2.510 4.552
135 HE1 TYR 20 HE1 TYR 20 -6.897 0.050 4.835
136 HE2 TYR 20 HE2 TYR 20 -4.101 2.884 6.474
137 HH TYR 20 HH TYR 20 -6.006 2.130 7.549
138 H ALA 21 H ALA 21 -0.712 0.269 0.407
139 HA ALA 21 HA ALA 21 -2.044 -0.665 -1.926
140 1HB ALA 21 1HB ALA 21 0.851 0.030 -1.306
141 2HB ALA 21 2HB ALA 21 0.289 -0.397 -2.938
142 3HB ALA 21 3HB ALA 21 -0.378 1.030 -2.114
143 H ALA 22 H ALA 22 0.476 -2.289 0.101
144 HA ALA 22 HA ALA 22 0.659 -4.664 -1.477
145 1HB ALA 22 1HB ALA 22 1.645 -3.734 1.108
146 2HB ALA 22 2HB ALA 22 1.042 -5.372 1.247
147 3HB ALA 22 3HB ALA 22 2.284 -4.993 0.039
148 H GLU 23 H GLU 23 -1.766 -3.602 0.879
149 HA GLU 23 HA GLU 23 -3.115 -6.140 1.076
150 1HB GLU 23 1HB GLU 23 -3.284 -4.037 2.628
151 2HB GLU 23 2HB GLU 23 -4.511 -3.502 1.480
152 1HG GLU 23 1HG GLU 23 -6.013 -4.763 2.548
153 2HG GLU 23 2HG GLU 23 -5.192 -6.197 1.958
154 H LEU 24 H LEU 24 -3.637 -3.201 -0.937
155 HA LEU 24 HA LEU 24 -5.969 -4.023 -2.257
156 1HB LEU 24 1HB LEU 24 -4.416 -1.787 -2.420
157 2HB LEU 24 2HB LEU 24 -3.940 -2.578 -3.918
158 1HD1 LEU 24 1HD1 LEU 24 -6.521 -0.400 -2.473
159 2HD1 LEU 24 2HD1 LEU 24 -7.929 -1.181 -3.227
160 3HD1 LEU 24 3HD1 LEU 24 -7.053 -1.999 -1.924
161 1HD2 LEU 24 1HD2 LEU 24 -6.484 -0.222 -4.991
162 2HD2 LEU 24 2HD2 LEU 24 -4.752 -0.557 -4.828
163 3HD2 LEU 24 3HD2 LEU 24 -5.750 -1.536 -5.919
164 1HG LEU 24 1HG LEU 24 -6.567 -2.854 -4.271
165 H ARG 25 H ARG 25 -2.615 -4.720 -3.207
166 HA ARG 25 HA ARG 25 -3.024 -6.314 -5.517
167 1HB ARG 25 1HB ARG 25 -0.826 -5.712 -4.909
168 2HB ARG 25 2HB ARG 25 -0.962 -6.379 -3.290
169 1HG ARG 25 1HG ARG 25 -1.151 -8.232 -5.682
170 2HG ARG 25 2HG ARG 25 0.416 -7.635 -5.157
171 1HD ARG 25 1HD ARG 25 0.100 -8.528 -2.902
172 2HD ARG 25 2HD ARG 25 -1.503 -9.111 -3.292
173 HE ARG 25 HNE ARG 25 0.996 -10.348 -4.010
174 1HH1 ARG 25 2HH2 ARG 25 -2.432 -10.197 -4.967
175 2HH1 ARG 25 1HH2 ARG 25 -2.377 -11.826 -5.588
176 1HH2 ARG 25 2HH1 ARG 25 1.013 -12.300 -5.069
177 2HH2 ARG 25 1HH1 ARG 25 -0.446 -12.944 -5.727
178 H ARG 26 H ARG 26 -3.715 -7.167 -2.184
179 HA ARG 26 HA ARG 26 -4.155 -10.041 -2.846
180 1HB ARG 26 1HB ARG 26 -4.883 -8.937 -0.154
181 2HB ARG 26 2HB ARG 26 -4.164 -10.482 -0.603
182 1HG ARG 26 1HG ARG 26 -2.033 -8.999 -1.160
183 2HG ARG 26 2HG ARG 26 -2.888 -7.789 -0.217
184 1HD ARG 26 1HD ARG 26 -1.428 -8.808 1.311
185 2HD ARG 26 2HD ARG 26 -3.013 -9.489 1.673
186 HE ARG 26 HNE ARG 26 -2.293 -11.573 0.910
187 1HH1 ARG 26 2HH2 ARG 26 0.073 -9.215 -0.045
188 2HH1 ARG 26 1HH2 ARG 26 1.207 -10.344 -0.704
189 1HH2 ARG 26 2HH1 ARG 26 -0.924 -13.085 0.027
190 2HH2 ARG 26 1HH1 ARG 26 0.562 -12.614 -0.706
191 H TYR 27 H TYR 27 -5.891 -7.138 -1.838
192 HA TYR 27 HA TYR 27 -8.505 -8.147 -1.748
193 1HB TYR 27 1HB TYR 27 -7.426 -5.819 -1.132
194 2HB TYR 27 2HB TYR 27 -7.891 -5.371 -2.766
195 HD1 TYR 27 HD1 TYR 27 -9.048 -6.350 0.595
196 HD2 TYR 27 HD2 TYR 27 -10.280 -5.155 -3.360
197 HE1 TYR 27 HE1 TYR 27 -11.352 -5.930 1.447
198 HE2 TYR 27 HE2 TYR 27 -12.583 -4.690 -2.490
199 HH TYR 27 HH TYR 27 -13.633 -5.805 0.559
200 H ILE 28 H ILE 28 -6.649 -7.011 -4.549
201 HA ILE 28 HA ILE 28 -8.624 -7.258 -6.581
202 HB ILE 28 HB ILE 28 -5.611 -7.556 -6.508
203 1HG1 ILE 28 1HG1 ILE 28 -7.242 -5.358 -7.850
204 2HG1 ILE 28 2HG1 ILE 28 -6.958 -5.300 -6.130
205 1HG2 ILE 28 1HG2 ILE 28 -5.636 -7.285 -9.015
206 2HG2 ILE 28 2HG2 ILE 28 -6.249 -8.850 -8.458
207 3HG2 ILE 28 3HG2 ILE 28 -7.386 -7.603 -8.974
208 1HD1 ILE 28 1HD1 ILE 28 -4.393 -5.784 -7.306
209 2HD1 ILE 28 2HD1 ILE 28 -5.179 -4.487 -8.226
210 3HD1 ILE 28 3HD1 ILE 28 -4.979 -4.335 -6.473
211 H ASN 29 H ASN 29 -7.010 -9.824 -4.775
212 HA ASN 29 HA ASN 29 -7.982 -11.904 -6.650
213 1HB ASN 29 1HB ASN 29 -5.706 -12.001 -5.524
214 2HB ASN 29 2HB ASN 29 -6.549 -12.223 -3.984
215 1HD2 ASN 29 1HD2 ASN 29 -5.504 -14.335 -3.711
216 2HD2 ASN 29 2HD2 ASN 29 -6.174 -15.650 -4.677
217 H MET 30 H MET 30 -8.583 -10.684 -3.317
218 HA MET 30 HA MET 30 -10.640 -12.561 -2.674
219 1HB MET 30 1HB MET 30 -10.899 -11.436 -0.710
220 2HB MET 30 2HB MET 30 -9.303 -10.870 -1.173
221 1HG MET 30 1HG MET 30 -10.161 -8.851 -0.659
222 2HG MET 30 2HG MET 30 -10.802 -8.901 -2.284
223 1HE MET 30 1HE MET 30 -13.796 -8.715 -2.611
224 2HE MET 30 2HE MET 30 -13.953 -7.397 -1.432
225 3HE MET 30 3HE MET 30 -12.482 -7.535 -2.414
226 H LEU 31 H LEU 31 -10.774 -9.804 -4.723
227 HA LEU 31 HA LEU 31 -13.732 -9.764 -4.800
228 1HB LEU 31 1HB LEU 31 -12.400 -7.713 -4.642
229 2HB LEU 31 2HB LEU 31 -11.605 -8.043 -6.163
230 1HD1 LEU 31 1HD1 LEU 31 -12.777 -5.499 -5.983
231 2HD1 LEU 31 2HD1 LEU 31 -14.484 -5.436 -6.490
232 3HD1 LEU 31 3HD1 LEU 31 -14.072 -5.926 -4.834
233 1HD2 LEU 31 1HD2 LEU 31 -13.201 -6.462 -8.237
234 2HD2 LEU 31 2HD2 LEU 31 -12.759 -8.155 -8.117
235 3HD2 LEU 31 3HD2 LEU 31 -14.457 -7.732 -8.310
236 1HG LEU 31 1HG LEU 31 -14.633 -7.898 -6.078
237 H THR 32 H THR 32 -11.331 -11.642 -6.263
238 HA THR 32 HA THR 32 -11.174 -12.919 -8.111
239 HB THR 32 HB THR 32 -14.201 -12.773 -8.312
240 HG1 THR 32 HG1 THR 32 -13.188 -13.190 -6.180
241 1HG2 THR 32 1HG2 THR 32 -13.370 -14.180 -10.085
242 2HG2 THR 32 2HG2 THR 32 -12.150 -14.917 -9.014
243 3HG2 THR 32 3HG2 THR 32 -13.875 -15.266 -8.787
244 H ARG 33 H ARG 33 -11.196 -9.919 -8.430
245 HA ARG 33 HA ARG 33 -11.056 -9.770 -11.280
246 1HB ARG 33 1HB ARG 33 -13.649 -9.205 -10.093
247 2HB ARG 33 2HB ARG 33 -12.947 -7.672 -10.579
248 1HG ARG 33 1HG ARG 33 -12.483 -9.169 -12.841
249 2HG ARG 33 2HG ARG 33 -13.900 -9.985 -12.224
250 1HD ARG 33 1HD ARG 33 -14.183 -7.016 -12.148
251 2HD ARG 33 2HD ARG 33 -13.778 -7.607 -13.744
252 HE ARG 33 HNE ARG 33 -15.861 -8.498 -13.960
253 1HH1 ARG 33 2HH2 ARG 33 -15.447 -7.884 -10.543
254 2HH1 ARG 33 1HH2 ARG 33 -17.105 -8.275 -10.153
255 1HH2 ARG 33 2HH1 ARG 33 -17.962 -9.058 -13.413
256 2HH2 ARG 33 1HH1 ARG 33 -18.470 -8.960 -11.754
257 HA PRO 34 HA PRO 34 -8.579 -6.242 -10.070
258 1HB PRO 34 1HB PRO 34 -8.542 -4.714 -12.367
259 2HB PRO 34 2HB PRO 34 -7.660 -6.251 -12.165
260 1HG PRO 34 1HG PRO 34 -10.168 -5.714 -13.700
261 2HG PRO 34 2HG PRO 34 -8.899 -6.947 -13.977
262 1HD PRO 34 1HD PRO 34 -11.412 -7.250 -12.670
263 2HD PRO 34 2HD PRO 34 -10.113 -8.480 -12.794
264 H ARG 35 H ARG 35 -8.600 -3.730 -10.320
265 HA ARG 35 HA ARG 35 -11.302 -2.593 -9.872
266 1HB ARG 35 1HB ARG 35 -10.276 -3.107 -7.665
267 2HB ARG 35 2HB ARG 35 -8.838 -2.205 -8.121
268 1HG ARG 35 1HG ARG 35 -9.769 -0.423 -7.139
269 2HG ARG 35 2HG ARG 35 -10.854 -0.297 -8.515
270 1HD ARG 35 1HD ARG 35 -11.407 -1.886 -5.988
271 2HD ARG 35 2HD ARG 35 -12.006 -0.251 -6.310
272 HE ARG 35 HNE ARG 35 -12.940 -1.596 -8.482
273 1HH1 ARG 35 2HH2 ARG 35 -13.229 -2.302 -5.084
274 2HH1 ARG 35 1HH2 ARG 35 -14.762 -3.114 -5.255
275 1HH2 ARG 35 2HH1 ARG 35 -14.917 -2.695 -8.694
276 2HH2 ARG 35 1HH1 ARG 35 -15.700 -3.284 -7.276
277 H TYR 36 H TYR 36 -11.539 -1.082 -11.373
278 HA TYR 36 HA TYR 36 -9.857 0.203 -13.060
279 1HB TYR 36 1HB TYR 36 -12.157 1.536 -11.572
280 2HB TYR 36 2HB TYR 36 -11.532 1.984 -13.149
281 HD1 TYR 36 HD1 TYR 36 -13.719 -0.304 -11.280
282 HD2 TYR 36 HD2 TYR 36 -12.009 0.576 -15.141
283 HE1 TYR 36 HE1 TYR 36 -15.385 -1.816 -12.372
284 HE2 TYR 36 HE2 TYR 36 -13.700 -0.890 -16.225
285 HH TYR 36 HH TYR 36 -15.307 -2.457 -15.862
286 1HN NH2 37 1HN NH2 37 -10.582 1.512 -9.717
287 2HN NH2 37 2HN NH2 37 -9.115 2.495 -9.733
Start of MODEL 20
1 1H ALA 1 1H ALA 1 -14.633 5.330 24.560
2 2H ALA 1 2H ALA 1 -12.993 5.455 24.426
3 3H ALA 1 3H ALA 1 -13.906 6.796 24.761
4 HA ALA 1 HA ALA 1 -14.087 5.222 22.312
5 1HB ALA 1 1HB ALA 1 -15.965 6.307 21.881
6 2HB ALA 1 2HB ALA 1 -15.819 7.307 23.341
7 3HB ALA 1 3HB ALA 1 -15.074 7.825 21.815
8 HA PRO 2 HA PRO 2 -11.206 8.667 20.923
9 1HB PRO 2 1HB PRO 2 -10.308 10.633 22.647
10 2HB PRO 2 2HB PRO 2 -11.763 10.796 21.622
11 1HG PRO 2 1HG PRO 2 -11.573 10.255 24.561
12 2HG PRO 2 2HG PRO 2 -12.857 11.096 23.645
13 1HD PRO 2 1HD PRO 2 -12.884 8.430 24.577
14 2HD PRO 2 2HD PRO 2 -14.029 9.146 23.404
15 H LEU 3 H LEU 3 -9.434 7.553 20.727
16 HA LEU 3 HA LEU 3 -7.199 7.647 22.460
17 1HB LEU 3 1HB LEU 3 -9.060 5.533 23.215
18 2HB LEU 3 2HB LEU 3 -7.699 4.785 22.445
19 1HD1 LEU 3 1HD1 LEU 3 -8.998 5.824 25.456
20 2HD1 LEU 3 2HD1 LEU 3 -7.517 6.034 26.412
21 3HD1 LEU 3 3HD1 LEU 3 -8.121 7.367 25.431
22 1HD2 LEU 3 1HD2 LEU 3 -7.287 3.805 25.105
23 2HD2 LEU 3 2HD2 LEU 3 -6.104 3.987 23.790
24 3HD2 LEU 3 3HD2 LEU 3 -5.741 4.648 25.384
25 1HG LEU 3 1HG LEU 3 -6.357 6.512 24.122
26 H GLU 4 H GLU 4 -8.943 6.110 19.761
27 HA GLU 4 HA GLU 4 -6.654 4.833 18.631
28 1HB GLU 4 1HB GLU 4 -8.005 4.549 16.654
29 2HB GLU 4 2HB GLU 4 -8.950 4.181 18.075
30 1HG GLU 4 1HG GLU 4 -9.162 6.986 16.967
31 2HG GLU 4 2HG GLU 4 -9.847 5.681 16.013
32 HA PRO 5 HA PRO 5 -4.684 8.299 16.630
33 1HB PRO 5 1HB PRO 5 -3.522 7.071 14.413
34 2HB PRO 5 2HB PRO 5 -2.885 7.029 16.079
35 1HG PRO 5 1HG PRO 5 -4.288 4.884 14.557
36 2HG PRO 5 2HG PRO 5 -3.122 4.752 15.907
37 1HD PRO 5 1HD PRO 5 -5.947 4.524 16.035
38 2HD PRO 5 2HD PRO 5 -4.822 4.627 17.421
39 H GLU 6 H GLU 6 -4.502 9.351 14.313
40 HA GLU 6 HA GLU 6 -7.225 9.612 13.297
41 1HB GLU 6 1HB GLU 6 -5.361 11.442 13.627
42 2HB GLU 6 2HB GLU 6 -4.815 10.930 12.026
43 1HG GLU 6 1HG GLU 6 -6.938 11.531 11.031
44 2HG GLU 6 2HG GLU 6 -7.718 11.672 12.605
45 H TYR 7 H TYR 7 -7.691 9.529 10.968
46 HA TYR 7 HA TYR 7 -6.263 7.374 9.482
47 1HB TYR 7 1HB TYR 7 -9.217 7.496 10.141
48 2HB TYR 7 2HB TYR 7 -8.549 6.524 8.841
49 HD1 TYR 7 HD1 TYR 7 -8.289 7.036 12.568
50 HD2 TYR 7 HD2 TYR 7 -7.787 4.325 9.253
51 HE1 TYR 7 HE1 TYR 7 -7.779 5.206 14.150
52 HE2 TYR 7 HE2 TYR 7 -7.326 2.470 10.859
53 HH TYR 7 HH TYR 7 -8.009 2.116 13.583
54 HA PRO 8 HA PRO 8 -7.087 10.998 6.738
55 1HB PRO 8 1HB PRO 8 -4.609 10.983 5.477
56 2HB PRO 8 2HB PRO 8 -5.006 11.897 6.954
57 1HG PRO 8 1HG PRO 8 -3.418 9.386 6.680
58 2HG PRO 8 2HG PRO 8 -3.321 10.669 7.922
59 1HD PRO 8 1HD PRO 8 -4.622 8.147 8.138
60 2HD PRO 8 2HD PRO 8 -4.734 9.506 9.293
61 H GLY 9 H GLY 9 -6.614 10.968 4.197
62 1HA GLY 9 1HA GLY 9 -7.980 8.638 3.133
63 2HA GLY 9 2HA GLY 9 -7.365 10.014 2.214
64 H ASP 10 H ASP 10 -5.636 9.662 0.929
65 HA ASP 10 HA ASP 10 -3.827 7.349 1.420
66 1HB ASP 10 1HB ASP 10 -3.957 6.952 -1.083
67 2HB ASP 10 2HB ASP 10 -5.321 6.452 -0.102
68 H ASN 11 H ASN 11 -2.523 9.149 2.338
69 HA ASN 11 HA ASN 11 -0.555 9.922 0.373
70 1HB ASN 11 1HB ASN 11 -2.542 11.702 0.293
71 2HB ASN 11 2HB ASN 11 -1.768 12.344 1.730
72 1HD2 ASN 11 1HD2 ASN 11 -0.309 13.994 1.191
73 2HD2 ASN 11 2HD2 ASN 11 0.565 14.001 -0.344
74 H ALA 12 H ALA 12 1.012 8.926 1.638
75 HA ALA 12 HA ALA 12 1.970 10.443 3.894
76 1HB ALA 12 1HB ALA 12 1.197 7.531 4.394
77 2HB ALA 12 2HB ALA 12 1.866 8.688 5.570
78 3HB ALA 12 3HB ALA 12 0.232 8.915 4.944
79 H THR 13 H THR 13 3.865 8.888 4.883
80 HA THR 13 HA THR 13 5.975 8.835 3.079
81 HB THR 13 HB THR 13 7.042 7.360 4.848
82 HG1 THR 13 HG1 THR 13 5.823 6.895 6.632
83 1HG2 THR 13 1HG2 THR 13 6.951 9.907 5.046
84 2HG2 THR 13 2HG2 THR 13 5.531 9.694 6.095
85 3HG2 THR 13 3HG2 THR 13 7.100 9.020 6.575
86 HA PRO 14 HA PRO 14 5.381 5.177 0.714
87 1HB PRO 14 1HB PRO 14 7.958 4.470 0.023
88 2HB PRO 14 2HB PRO 14 7.061 5.848 -0.672
89 1HG PRO 14 1HG PRO 14 9.225 5.865 1.404
90 2HG PRO 14 2HG PRO 14 8.842 7.084 0.152
91 1HD PRO 14 1HD PRO 14 8.126 7.198 2.873
92 2HD PRO 14 2HD PRO 14 7.413 8.190 1.567
93 H GLU 15 H GLU 15 6.777 5.008 3.779
94 HA GLU 15 HA GLU 15 6.934 2.060 3.868
95 1HB GLU 15 1HB GLU 15 7.827 2.391 6.083
96 2HB GLU 15 2HB GLU 15 8.614 3.533 4.992
97 1HG GLU 15 1HG GLU 15 6.633 5.136 5.776
98 2HG GLU 15 2HG GLU 15 6.545 4.048 7.149
99 H GLN 16 H GLN 16 4.542 4.542 4.329
100 HA GLN 16 HA GLN 16 2.951 2.829 6.166
101 1HB GLN 16 1HB GLN 16 3.443 5.343 6.539
102 2HB GLN 16 2HB GLN 16 2.242 5.651 5.287
103 1HG GLN 16 1HG GLN 16 0.474 4.819 6.609
104 2HG GLN 16 2HG GLN 16 1.539 3.793 7.576
105 1HE2 GLN 16 1HE2 GLN 16 2.931 4.781 9.242
106 2HE2 GLN 16 2HE2 GLN 16 2.442 6.359 9.855
107 H MET 17 H MET 17 2.515 4.720 3.133
108 HA MET 17 HA MET 17 0.027 3.454 2.471
109 1HB MET 17 1HB MET 17 1.445 5.627 1.512
110 2HB MET 17 2HB MET 17 1.674 4.474 0.201
111 1HG MET 17 1HG MET 17 -1.110 4.750 1.299
112 2HG MET 17 2HG MET 17 -0.466 6.138 0.445
113 1HE MET 17 1HE MET 17 -3.108 4.822 -0.580
114 2HE MET 17 2HE MET 17 -2.947 3.373 -1.601
115 3HE MET 17 3HE MET 17 -2.618 3.276 0.142
116 H ALA 18 H ALA 18 3.337 2.409 2.020
117 HA ALA 18 HA ALA 18 3.096 0.405 0.065
118 1HB ALA 18 1HB ALA 18 5.243 0.858 0.850
119 2HB ALA 18 2HB ALA 18 4.787 0.704 2.570
120 3HB ALA 18 3HB ALA 18 4.910 -0.730 1.529
121 H GLN 19 H GLN 19 2.008 0.335 3.472
122 HA GLN 19 HA GLN 19 1.397 -2.482 3.527
123 1HB GLN 19 1HB GLN 19 1.266 -0.209 5.310
124 2HB GLN 19 2HB GLN 19 -0.315 -0.961 5.310
125 1HG GLN 19 1HG GLN 19 2.137 -2.725 5.601
126 2HG GLN 19 2HG GLN 19 1.660 -1.701 6.950
127 1HE2 GLN 19 1HE2 GLN 19 1.052 -4.786 5.522
128 2HE2 GLN 19 2HE2 GLN 19 -0.514 -4.989 6.324
129 H TYR 20 H TYR 20 -0.725 0.382 3.077
130 HA TYR 20 HA TYR 20 -3.104 -1.007 2.390
131 1HB TYR 20 1HB TYR 20 -2.028 1.770 2.007
132 2HB TYR 20 2HB TYR 20 -3.361 1.286 0.978
133 HD1 TYR 20 HD1 TYR 20 -2.480 2.411 4.295
134 HD2 TYR 20 HD2 TYR 20 -5.504 0.420 1.951
135 HE1 TYR 20 HE1 TYR 20 -4.201 2.978 6.017
136 HE2 TYR 20 HE2 TYR 20 -7.217 0.990 3.676
137 HH TYR 20 HH TYR 20 -6.940 1.557 6.446
138 H ALA 21 H ALA 21 -0.519 0.239 0.212
139 HA ALA 21 HA ALA 21 -1.730 -0.583 -2.227
140 1HB ALA 21 1HB ALA 21 1.119 -0.838 -2.468
141 2HB ALA 21 2HB ALA 21 0.078 0.498 -2.989
142 3HB ALA 21 3HB ALA 21 0.812 0.519 -1.382
143 H ALA 22 H ALA 22 0.586 -2.384 -0.095
144 HA ALA 22 HA ALA 22 0.508 -4.787 -1.623
145 1HB ALA 22 1HB ALA 22 2.132 -4.053 0.285
146 2HB ALA 22 2HB ALA 22 0.905 -4.732 1.378
147 3HB ALA 22 3HB ALA 22 1.683 -5.756 0.150
148 H GLU 23 H GLU 23 -1.689 -3.523 0.876
149 HA GLU 23 HA GLU 23 -3.276 -5.861 1.225
150 1HB GLU 23 1HB GLU 23 -3.205 -3.453 2.479
151 2HB GLU 23 2HB GLU 23 -4.591 -3.180 1.434
152 1HG GLU 23 1HG GLU 23 -5.694 -4.121 3.196
153 2HG GLU 23 2HG GLU 23 -5.312 -5.609 2.336
154 H LEU 24 H LEU 24 -3.773 -3.007 -0.923
155 HA LEU 24 HA LEU 24 -6.159 -3.825 -2.184
156 1HB LEU 24 1HB LEU 24 -5.428 -1.622 -2.537
157 2HB LEU 24 2HB LEU 24 -3.850 -2.113 -3.123
158 HG LEU 24 HG LEU 24 -6.039 -3.218 -4.793
159 1HD1 LEU 24 1HD1 LEU 24 -7.025 -0.973 -4.051
160 2HD1 LEU 24 2HD1 LEU 24 -5.773 -0.249 -5.088
161 3HD1 LEU 24 3HD1 LEU 24 -6.961 -1.382 -5.769
162 1HD2 LEU 24 1HD2 LEU 24 -3.658 -1.426 -5.425
163 2HD2 LEU 24 2HD2 LEU 24 -3.627 -3.197 -5.422
164 3HD2 LEU 24 3HD2 LEU 24 -4.627 -2.327 -6.600
165 H ARG 25 H ARG 25 -2.797 -4.633 -3.142
166 HA ARG 25 HA ARG 25 -3.307 -6.256 -5.389
167 1HB ARG 25 1HB ARG 25 -1.052 -5.823 -4.749
168 2HB ARG 25 2HB ARG 25 -1.272 -6.529 -3.146
169 1HG ARG 25 1HG ARG 25 -1.539 -8.782 -4.108
170 2HG ARG 25 2HG ARG 25 -1.467 -8.093 -5.737
171 1HD ARG 25 1HD ARG 25 0.903 -7.192 -4.847
172 2HD ARG 25 2HD ARG 25 0.704 -8.495 -3.676
173 HE ARG 25 HNE ARG 25 0.913 -10.093 -5.390
174 1HH1 ARG 25 2HH2 ARG 25 0.650 -6.921 -6.848
175 2HH1 ARG 25 1HH2 ARG 25 0.944 -7.489 -8.465
176 1HH2 ARG 25 2HH1 ARG 25 1.233 -10.822 -7.515
177 2HH2 ARG 25 1HH1 ARG 25 1.162 -9.664 -8.817
178 H ARG 26 H ARG 26 -3.693 -7.129 -1.996
179 HA ARG 26 HA ARG 26 -4.440 -9.908 -2.541
180 1HB ARG 26 1HB ARG 26 -5.184 -8.610 0.077
181 2HB ARG 26 2HB ARG 26 -4.571 -10.231 -0.270
182 1HG ARG 26 1HG ARG 26 -2.353 -8.951 -0.921
183 2HG ARG 26 2HG ARG 26 -3.114 -7.620 -0.049
184 1HD ARG 26 1HD ARG 26 -2.454 -8.386 1.911
185 2HD ARG 26 2HD ARG 26 -3.227 -9.954 1.611
186 HE ARG 26 HNE ARG 26 -0.773 -9.699 0.124
187 1HH1 ARG 26 2HH2 ARG 26 -1.759 -10.205 3.436
188 2HH1 ARG 26 1HH2 ARG 26 -0.465 -11.314 3.782
189 1HH2 ARG 26 2HH1 ARG 26 0.959 -11.053 0.617
190 2HH2 ARG 26 1HH1 ARG 26 0.999 -11.878 2.134
191 H TYR 27 H TYR 27 -6.134 -6.928 -1.621
192 HA TYR 27 HA TYR 27 -8.777 -7.783 -1.537
193 1HB TYR 27 1HB TYR 27 -7.650 -5.421 -1.190
194 2HB TYR 27 2HB TYR 27 -8.064 -5.170 -2.881
195 HD1 TYR 27 HD1 TYR 27 -10.237 -4.333 -3.401
196 HD2 TYR 27 HD2 TYR 27 -9.519 -6.253 0.395
197 HE1 TYR 27 HE1 TYR 27 -12.539 -3.743 -2.667
198 HE2 TYR 27 HE2 TYR 27 -11.826 -5.664 1.129
199 HH TYR 27 HH TYR 27 -14.137 -3.998 -1.006
200 H ILE 28 H ILE 28 -6.954 -6.820 -4.455
201 HA ILE 28 HA ILE 28 -8.952 -7.187 -6.413
202 HB ILE 28 HB ILE 28 -5.953 -7.594 -6.524
203 1HG1 ILE 28 1HG1 ILE 28 -7.692 -5.274 -7.508
204 2HG1 ILE 28 2HG1 ILE 28 -6.868 -5.275 -5.975
205 1HG2 ILE 28 1HG2 ILE 28 -7.616 -7.097 -8.989
206 2HG2 ILE 28 2HG2 ILE 28 -5.952 -7.656 -8.872
207 3HG2 ILE 28 3HG2 ILE 28 -7.248 -8.761 -8.472
208 1HD1 ILE 28 1HD1 ILE 28 -5.506 -5.426 -8.692
209 2HD1 ILE 28 2HD1 ILE 28 -5.565 -4.045 -7.601
210 3HD1 ILE 28 3HD1 ILE 28 -4.675 -5.507 -7.119
211 H ASN 29 H ASN 29 -6.494 -9.639 -5.461
212 HA ASN 29 HA ASN 29 -7.706 -11.773 -6.929
213 1HB ASN 29 1HB ASN 29 -5.314 -11.576 -6.008
214 2HB ASN 29 2HB ASN 29 -5.973 -12.056 -4.441
215 1HD2 ASN 29 1HD2 ASN 29 -5.721 -14.292 -4.092
216 2HD2 ASN 29 2HD2 ASN 29 -5.755 -15.438 -5.423
217 H MET 30 H MET 30 -8.195 -10.608 -3.618
218 HA MET 30 HA MET 30 -9.999 -12.650 -2.716
219 1HB MET 30 1HB MET 30 -8.609 -10.851 -1.409
220 2HB MET 30 2HB MET 30 -9.979 -9.788 -1.724
221 1HG MET 30 1HG MET 30 -10.655 -10.638 0.285
222 2HG MET 30 2HG MET 30 -11.311 -11.926 -0.720
223 1HE MET 30 1HE MET 30 -8.678 -11.349 2.389
224 2HE MET 30 2HE MET 30 -7.283 -11.926 1.441
225 3HE MET 30 3HE MET 30 -8.240 -10.542 0.868
226 H LEU 31 H LEU 31 -10.493 -10.166 -5.019
227 HA LEU 31 HA LEU 31 -13.455 -10.412 -4.770
228 1HB LEU 31 1HB LEU 31 -13.540 -8.207 -4.896
229 2HB LEU 31 2HB LEU 31 -11.818 -8.136 -4.876
230 HG LEU 31 HG LEU 31 -12.037 -8.470 -7.500
231 1HD1 LEU 31 1HD1 LEU 31 -14.742 -8.413 -6.904
232 2HD1 LEU 31 2HD1 LEU 31 -14.431 -6.727 -7.330
233 3HD1 LEU 31 3HD1 LEU 31 -14.022 -8.034 -8.470
234 1HD2 LEU 31 1HD2 LEU 31 -10.918 -6.586 -6.816
235 2HD2 LEU 31 2HD2 LEU 31 -12.336 -5.858 -7.577
236 3HD2 LEU 31 3HD2 LEU 31 -12.245 -5.995 -5.811
237 H THR 32 H THR 32 -11.023 -11.950 -6.265
238 HA THR 32 HA THR 32 -10.737 -13.124 -8.197
239 HB THR 32 HB THR 32 -13.753 -12.919 -8.473
240 HG1 THR 32 HG1 THR 32 -13.739 -14.776 -7.168
241 1HG2 THR 32 1HG2 THR 32 -12.429 -15.529 -9.009
242 2HG2 THR 32 2HG2 THR 32 -13.783 -14.718 -9.825
243 3HG2 THR 32 3HG2 THR 32 -12.116 -14.297 -10.222
244 H ARG 33 H ARG 33 -10.603 -10.177 -8.319
245 HA ARG 33 HA ARG 33 -11.981 -8.836 -10.222
246 1HB ARG 33 1HB ARG 33 -10.210 -7.969 -8.668
247 2HB ARG 33 2HB ARG 33 -9.023 -8.491 -9.853
248 1HG ARG 33 1HG ARG 33 -9.460 -6.780 -11.294
249 2HG ARG 33 2HG ARG 33 -11.190 -6.748 -10.942
250 1HD ARG 33 1HD ARG 33 -11.001 -5.217 -9.264
251 2HD ARG 33 2HD ARG 33 -9.495 -5.879 -8.665
252 HE ARG 33 HNE ARG 33 -8.295 -4.396 -9.923
253 1HH1 ARG 33 2HH2 ARG 33 -11.571 -4.254 -11.099
254 2HH1 ARG 33 1HH2 ARG 33 -11.250 -2.928 -12.193
255 1HH2 ARG 33 2HH1 ARG 33 -7.942 -2.595 -11.218
256 2HH2 ARG 33 1HH1 ARG 33 -9.243 -1.948 -12.153
257 HA PRO 34 HA PRO 34 -10.678 -11.414 -13.682
258 1HB PRO 34 1HB PRO 34 -12.813 -10.961 -15.382
259 2HB PRO 34 2HB PRO 34 -12.791 -12.118 -14.025
260 1HG PRO 34 1HG PRO 34 -14.116 -9.444 -14.173
261 2HG PRO 34 2HG PRO 34 -14.555 -10.887 -13.209
262 1HD PRO 34 1HD PRO 34 -13.175 -8.578 -12.296
263 2HD PRO 34 2HD PRO 34 -13.364 -10.120 -11.426
264 H ARG 35 H ARG 35 -8.877 -10.228 -14.123
265 HA ARG 35 HA ARG 35 -9.039 -7.837 -15.845
266 1HB ARG 35 1HB ARG 35 -6.750 -7.489 -15.382
267 2HB ARG 35 2HB ARG 35 -7.488 -8.007 -13.882
268 1HG ARG 35 1HG ARG 35 -5.569 -9.234 -13.804
269 2HG ARG 35 2HG ARG 35 -6.604 -10.423 -14.593
270 1HD ARG 35 1HD ARG 35 -5.604 -9.998 -16.739
271 2HD ARG 35 2HD ARG 35 -4.882 -8.478 -16.188
272 HE ARG 35 HNE ARG 35 -3.708 -10.309 -14.547
273 1HH1 ARG 35 2HH2 ARG 35 -3.913 -10.119 -18.033
274 2HH1 ARG 35 1HH2 ARG 35 -2.364 -10.861 -18.297
275 1HH2 ARG 35 2HH1 ARG 35 -1.762 -11.347 -14.903
276 2HH2 ARG 35 1HH1 ARG 35 -1.201 -11.593 -16.538
277 H TYR 36 H TYR 36 -8.303 -7.675 -17.954
278 HA TYR 36 HA TYR 36 -7.031 -9.923 -19.273
279 1HB TYR 36 1HB TYR 36 -9.721 -10.173 -19.120
280 2HB TYR 36 2HB TYR 36 -9.663 -9.088 -20.489
281 HD1 TYR 36 HD1 TYR 36 -8.027 -12.219 -19.167
282 HD2 TYR 36 HD2 TYR 36 -9.579 -10.139 -22.612
283 HE1 TYR 36 HE1 TYR 36 -7.670 -14.255 -20.552
284 HE2 TYR 36 HE2 TYR 36 -9.220 -12.183 -24.002
285 HH TYR 36 HH TYR 36 -8.209 -15.276 -22.598
286 1HN NH2 37 1HN NH2 37 -6.171 -9.287 -21.414
287 2HN NH2 37 2HN NH2 37 -6.173 -7.557 -21.802