Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
620876 | 5tx8 RC | 30204 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 1H ALA 1 13.672 6.213 5.775
2 H2 ALA 1 2H ALA 1 12.146 6.749 5.278
3 H3 ALA 1 3H ALA 1 12.791 5.323 4.636
4 HA ALA 1 HA ALA 1 12.740 4.303 6.830
5 HB1 ALA 1 1HB ALA 1 12.890 6.346 8.151
6 HB2 ALA 1 2HB ALA 1 11.471 5.407 8.619
7 HB3 ALA 1 3HB ALA 1 11.288 6.839 7.602
8 H GLU 2 H GLU 2 11.705 3.189 5.051
9 HA GLU 2 HA GLU 2 8.842 2.956 5.476
10 HB2 GLU 2 1HB GLU 2 8.348 2.995 3.048
11 HB3 GLU 2 2HB GLU 2 8.917 4.550 3.630
12 HG2 GLU 2 1HG GLU 2 10.736 2.561 2.288
13 HG3 GLU 2 2HG GLU 2 9.815 3.760 1.388
14 H ASP 3 H ASP 3 8.016 1.008 4.208
15 HA ASP 3 HA ASP 3 10.056 -0.973 3.559
16 HB2 ASP 3 1HB ASP 3 9.580 -1.213 6.014
17 HB3 ASP 3 2HB ASP 3 7.899 -1.547 5.616
18 H CYS 4 H CYS 4 9.458 -1.735 1.648
19 HA CYS 4 HA CYS 4 7.068 -1.050 0.403
20 HB2 CYS 4 2HB CYS 4 8.998 -3.264 -0.328
21 HB3 CYS 4 1HB CYS 4 7.773 -2.579 -1.396
22 H GLU 5 H GLU 5 8.003 -4.120 1.933
23 HA GLU 5 HA GLU 5 5.638 -5.492 1.125
24 HB2 GLU 5 1HB GLU 5 7.662 -6.110 3.283
25 HB3 GLU 5 2HB GLU 5 6.347 -7.189 2.825
26 HG2 GLU 5 1HG GLU 5 7.268 -7.177 0.493
27 HG3 GLU 5 2HG GLU 5 8.663 -6.297 1.118
28 H ARG 6 H ARG 6 6.555 -3.664 3.985
29 HA ARG 6 HA ARG 6 4.296 -4.320 5.565
30 HB2 ARG 6 1HB ARG 6 6.420 -3.284 6.409
31 HB3 ARG 6 2HB ARG 6 5.937 -1.775 5.649
32 HG2 ARG 6 1HG ARG 6 3.996 -1.631 7.103
33 HG3 ARG 6 2HG ARG 6 4.400 -3.189 7.829
34 HD2 ARG 6 1HD ARG 6 6.002 -0.634 7.974
35 HD3 ARG 6 2HD ARG 6 5.161 -1.444 9.298
36 HE ARG 6 HE ARG 6 6.994 -3.255 8.221
37 HH11 ARG 6 1HH1 ARG 6 7.008 -0.241 10.008
38 HH12 ARG 6 2HH1 ARG 6 8.577 -0.519 10.702
39 HH21 ARG 6 1HH2 ARG 6 9.056 -3.620 9.131
40 HH22 ARG 6 2HH2 ARG 6 9.732 -2.439 10.211
41 H ILE 7 H ILE 7 5.008 -1.665 3.337
42 HA ILE 7 HA ILE 7 2.527 -0.333 3.550
43 HB ILE 7 HB ILE 7 4.414 -0.439 1.175
44 HG12 ILE 7 1HG1 ILE 7 4.211 1.594 3.422
45 HG13 ILE 7 2HG1 ILE 7 5.478 0.385 3.261
46 HG21 ILE 7 1HG2 ILE 7 2.196 0.346 0.523
47 HG22 ILE 7 2HG2 ILE 7 3.356 1.672 0.483
48 HG23 ILE 7 3HG2 ILE 7 2.216 1.537 1.823
49 HD11 ILE 7 1HD1 ILE 7 6.203 1.430 1.173
50 HD12 ILE 7 2HD1 ILE 7 6.249 2.557 2.526
51 HD13 ILE 7 3HD1 ILE 7 4.941 2.649 1.348
52 H ARG 8 H ARG 8 3.653 -3.024 1.577
53 HA ARG 8 HA ARG 8 1.443 -3.347 -0.110
54 HB2 ARG 8 1HB ARG 8 3.601 -4.600 -0.288
55 HB3 ARG 8 2HB ARG 8 3.126 -5.549 1.111
56 HG2 ARG 8 1HG ARG 8 1.206 -6.426 -0.111
57 HG3 ARG 8 2HG ARG 8 1.651 -5.461 -1.519
58 HD2 ARG 8 1HD ARG 8 2.384 -7.781 -1.768
59 HD3 ARG 8 2HD ARG 8 3.759 -6.679 -1.701
60 HE ARG 8 HE ARG 8 2.925 -8.036 0.764
61 HH11 ARG 8 1HH1 ARG 8 5.250 -7.692 -1.829
62 HH12 ARG 8 2HH1 ARG 8 6.487 -8.586 -1.006
63 HH21 ARG 8 1HH2 ARG 8 4.554 -9.202 1.855
64 HH22 ARG 8 2HH2 ARG 8 6.105 -9.432 1.100
65 H LYS 9 H LYS 9 2.117 -4.672 3.091
66 HA LYS 9 HA LYS 9 -0.264 -6.096 3.462
67 HB2 LYS 9 1HB LYS 9 1.673 -6.340 4.948
68 HB3 LYS 9 2HB LYS 9 1.463 -4.695 5.525
69 HG2 LYS 9 1HG LYS 9 0.614 -6.199 7.177
70 HG3 LYS 9 2HG LYS 9 -0.746 -5.346 6.449
71 HD2 LYS 9 1HD LYS 9 -1.428 -7.602 6.645
72 HD3 LYS 9 2HD LYS 9 -1.042 -7.372 4.941
73 HE2 LYS 9 1HE LYS 9 0.943 -8.511 6.909
74 HE3 LYS 9 2HE LYS 9 -0.219 -9.522 6.054
75 HZ1 LYS 9 1HZ LYS 9 1.878 -9.506 4.907
76 HZ2 LYS 9 2HZ LYS 9 1.873 -7.823 4.806
77 HZ3 LYS 9 3HZ LYS 9 0.722 -8.723 3.954
78 H GLU 10 H GLU 10 0.558 -2.737 4.293
79 HA GLU 10 HA GLU 10 -1.964 -2.046 5.348
80 HB2 GLU 10 1HB GLU 10 0.294 -0.416 4.200
81 HB3 GLU 10 2HB GLU 10 -1.206 0.348 4.710
82 HG2 GLU 10 1HG GLU 10 0.636 -1.287 6.448
83 HG3 GLU 10 2HG GLU 10 0.470 0.468 6.460
84 H LEU 11 H LEU 11 -0.757 -2.182 2.064
85 HA LEU 11 HA LEU 11 -2.999 -0.743 0.959
86 HB2 LEU 11 1HB LEU 11 -0.713 -0.786 -0.087
87 HB3 LEU 11 2HB LEU 11 -0.985 -2.470 -0.497
88 HG LEU 11 HG LEU 11 -2.896 -1.808 -1.921
89 HD11 LEU 11 1HD1 LEU 11 -3.259 0.551 -2.462
90 HD12 LEU 11 2HD1 LEU 11 -2.093 1.010 -1.220
91 HD13 LEU 11 3HD1 LEU 11 -3.596 0.202 -0.767
92 HD21 LEU 11 1HD2 LEU 11 -1.610 -0.784 -3.718
93 HD22 LEU 11 2HD2 LEU 11 -0.678 -2.046 -2.913
94 HD23 LEU 11 3HD2 LEU 11 -0.340 -0.346 -2.573
95 H GLU 12 H GLU 12 -2.248 -4.003 1.785
96 HA GLU 12 HA GLU 12 -4.186 -5.337 0.215
97 HB2 GLU 12 1HB GLU 12 -2.225 -6.408 1.315
98 HB3 GLU 12 2HB GLU 12 -2.955 -6.095 2.881
99 HG2 GLU 12 1HG GLU 12 -3.396 -8.335 2.413
100 HG3 GLU 12 2HG GLU 12 -4.905 -7.483 2.102
101 H LYS 13 H LYS 13 -4.104 -4.359 3.627
102 HA LYS 13 HA LYS 13 -6.854 -4.922 4.111
103 HB2 LYS 13 1HB LYS 13 -6.440 -3.617 6.246
104 HB3 LYS 13 2HB LYS 13 -5.395 -5.006 5.987
105 HG2 LYS 13 1HG LYS 13 -3.649 -3.439 5.123
106 HG3 LYS 13 2HG LYS 13 -4.686 -2.100 5.597
107 HD2 LYS 13 1HD LYS 13 -3.816 -4.230 7.547
108 HD3 LYS 13 2HD LYS 13 -2.839 -2.798 7.228
109 HE2 LYS 13 1HE LYS 13 -5.709 -2.720 8.159
110 HE3 LYS 13 2HE LYS 13 -4.315 -2.613 9.232
111 HZ1 LYS 13 1HZ LYS 13 -3.602 -0.634 7.962
112 HZ2 LYS 13 2HZ LYS 13 -5.089 -0.423 8.745
113 HZ3 LYS 13 3HZ LYS 13 -5.046 -0.705 7.080
114 H ASN 14 H ASN 14 -5.047 -2.007 3.257
115 HA ASN 14 HA ASN 14 -7.613 -0.572 2.946
116 HB2 ASN 14 1HB ASN 14 -4.944 0.546 3.852
117 HB3 ASN 14 2HB ASN 14 -6.339 1.535 3.436
118 HD21 ASN 14 1HD2 ASN 14 -6.075 0.888 7.138
119 HD22 ASN 14 2HD2 ASN 14 -4.897 1.341 5.953
120 HA PRO 15 HA PRO 15 -5.833 -0.460 -1.276
121 HB2 PRO 15 2HB PRO 15 -8.229 -0.065 -2.515
122 HB3 PRO 15 1HB PRO 15 -7.659 -1.666 -2.031
123 HG2 PRO 15 2HG PRO 15 -9.593 0.154 -0.637
124 HG3 PRO 15 1HG PRO 15 -9.699 -1.598 -0.902
125 HD2 PRO 15 2HD PRO 15 -8.897 -0.524 1.459
126 HD3 PRO 15 1HD PRO 15 -8.280 -2.077 0.861
127 H ASN 16 H ASN 16 -4.997 1.572 -0.141
128 HA ASN 16 HA ASN 16 -6.581 3.984 -0.671
129 HB2 ASN 16 1HB ASN 16 -5.711 3.740 1.592
130 HB3 ASN 16 2HB ASN 16 -4.074 3.543 0.975
131 HD21 ASN 16 1HD2 ASN 16 -5.693 7.225 1.430
132 HD22 ASN 16 2HD2 ASN 16 -6.621 5.784 1.671
133 H ASP 17 H ASP 17 -5.851 5.665 -1.938
134 HA ASP 17 HA ASP 17 -4.296 5.045 -4.189
135 HB2 ASP 17 1HB ASP 17 -5.951 6.785 -4.340
136 HB3 ASP 17 2HB ASP 17 -5.180 7.708 -3.053
137 H GLU 18 H GLU 18 -3.506 7.367 -1.583
138 HA GLU 18 HA GLU 18 -0.933 7.954 -2.472
139 HB2 GLU 18 1HB GLU 18 -2.039 8.026 0.342
140 HB3 GLU 18 2HB GLU 18 -0.498 8.730 -0.135
141 HG2 GLU 18 1HG GLU 18 -1.673 10.219 -1.693
142 HG3 GLU 18 2HG GLU 18 -3.213 9.535 -1.170
143 H ILE 19 H ILE 19 -2.037 5.452 -0.235
144 HA ILE 19 HA ILE 19 0.479 4.457 0.518
145 HB ILE 19 HB ILE 19 -2.168 2.998 0.270
146 HG12 ILE 19 1HG1 ILE 19 -2.190 4.875 1.862
147 HG13 ILE 19 2HG1 ILE 19 -2.311 3.336 2.705
148 HG21 ILE 19 1HG2 ILE 19 -0.342 1.388 0.227
149 HG22 ILE 19 2HG2 ILE 19 -1.194 1.301 1.769
150 HG23 ILE 19 3HG2 ILE 19 0.366 2.121 1.669
151 HD11 ILE 19 1HD1 ILE 19 -0.835 4.891 3.859
152 HD12 ILE 19 2HD1 ILE 19 0.188 4.994 2.429
153 HD13 ILE 19 3HD1 ILE 19 0.046 3.470 3.304
154 H LYS 20 H LYS 20 -1.708 3.452 -2.107
155 HA LYS 20 HA LYS 20 -0.135 1.434 -3.216
156 HB2 LYS 20 1HB LYS 20 -2.410 1.719 -3.961
157 HB3 LYS 20 2HB LYS 20 -2.076 3.349 -4.537
158 HG2 LYS 20 1HG LYS 20 -0.593 2.444 -6.260
159 HG3 LYS 20 2HG LYS 20 -0.916 0.806 -5.685
160 HD2 LYS 20 1HD LYS 20 -3.257 1.021 -6.291
161 HD3 LYS 20 2HD LYS 20 -3.016 2.712 -6.742
162 HE2 LYS 20 1HE LYS 20 -3.090 1.242 -8.710
163 HE3 LYS 20 2HE LYS 20 -1.530 2.044 -8.550
164 HZ1 LYS 20 1HZ LYS 20 -1.350 -0.319 -9.129
165 HZ2 LYS 20 2HZ LYS 20 -2.089 -0.733 -7.668
166 HZ3 LYS 20 3HZ LYS 20 -0.589 0.039 -7.667
167 H LYS 21 H LYS 21 -0.254 4.904 -4.040
168 HA LYS 21 HA LYS 21 1.578 4.769 -6.169
169 HB2 LYS 21 1HB LYS 21 0.978 7.173 -4.426
170 HB3 LYS 21 2HB LYS 21 1.670 7.203 -6.041
171 HG2 LYS 21 1HG LYS 21 -1.129 6.403 -5.263
172 HG3 LYS 21 2HG LYS 21 -0.634 7.814 -6.198
173 HD2 LYS 21 1HD LYS 21 -0.272 4.942 -7.077
174 HD3 LYS 21 2HD LYS 21 -1.589 5.993 -7.592
175 HE2 LYS 21 1HE LYS 21 -0.039 7.492 -8.673
176 HE3 LYS 21 2HE LYS 21 1.338 6.583 -8.044
177 HZ1 LYS 21 1HZ LYS 21 0.665 4.691 -9.361
178 HZ2 LYS 21 2HZ LYS 21 0.855 6.045 -10.358
179 HZ3 LYS 21 3HZ LYS 21 -0.696 5.524 -9.936
180 H LYS 22 H LYS 22 2.013 5.408 -2.730
181 HA LYS 22 HA LYS 22 4.832 5.932 -3.026
182 HB2 LYS 22 1HB LYS 22 3.066 5.627 -0.590
183 HB3 LYS 22 2HB LYS 22 4.797 5.931 -0.491
184 HG2 LYS 22 1HG LYS 22 4.481 8.005 -1.797
185 HG3 LYS 22 2HG LYS 22 2.743 7.711 -1.798
186 HD2 LYS 22 1HD LYS 22 4.420 8.067 0.691
187 HD3 LYS 22 2HD LYS 22 3.497 9.354 -0.085
188 HE2 LYS 22 1HE LYS 22 1.437 7.966 0.240
189 HE3 LYS 22 2HE LYS 22 2.412 6.835 1.182
190 HZ1 LYS 22 1HZ LYS 22 1.219 8.447 2.568
191 HZ2 LYS 22 2HZ LYS 22 2.054 9.709 1.821
192 HZ3 LYS 22 3HZ LYS 22 2.897 8.581 2.754
193 H LEU 23 H LEU 23 2.868 3.139 -2.619
194 HA LEU 23 HA LEU 23 4.926 1.393 -1.678
195 HB2 LEU 23 1HB LEU 23 2.440 0.912 -1.666
196 HB3 LEU 23 2HB LEU 23 2.536 0.678 -3.399
197 HG LEU 23 HG LEU 23 4.119 -0.996 -1.431
198 HD11 LEU 23 1HD1 LEU 23 2.399 -2.715 -1.715
199 HD12 LEU 23 2HD1 LEU 23 1.423 -1.584 -2.652
200 HD13 LEU 23 3HD1 LEU 23 1.751 -1.266 -0.948
201 HD21 LEU 23 1HD2 LEU 23 3.375 -1.442 -4.329
202 HD22 LEU 23 2HD2 LEU 23 4.232 -2.592 -3.303
203 HD23 LEU 23 3HD2 LEU 23 4.980 -1.050 -3.715
204 H GLU 24 H GLU 24 3.604 2.132 -4.892
205 HA GLU 24 HA GLU 24 5.186 0.485 -6.453
206 HB2 GLU 24 1HB GLU 24 4.291 3.285 -7.189
207 HB3 GLU 24 2HB GLU 24 4.693 1.987 -8.306
208 HG2 GLU 24 1HG GLU 24 2.765 0.706 -7.537
209 HG3 GLU 24 2HG GLU 24 2.382 1.962 -6.364
210 H LYS 25 H LYS 25 5.929 3.627 -5.082
211 HA LYS 25 HA LYS 25 8.672 3.443 -6.157
212 HB2 LYS 25 1HB LYS 25 7.012 5.904 -5.554
213 HB3 LYS 25 2HB LYS 25 8.710 5.939 -6.020
214 HG2 LYS 25 1HG LYS 25 8.158 4.910 -8.163
215 HG3 LYS 25 2HG LYS 25 6.458 4.829 -7.697
216 HD2 LYS 25 1HD LYS 25 6.361 7.269 -7.583
217 HD3 LYS 25 2HD LYS 25 8.077 7.366 -7.987
218 HE2 LYS 25 1HE LYS 25 6.688 7.807 -9.946
219 HE3 LYS 25 2HE LYS 25 7.641 6.340 -10.157
220 HZ1 LYS 25 1HZ LYS 25 4.783 6.400 -9.346
221 HZ2 LYS 25 2HZ LYS 25 5.702 5.019 -9.673
222 HZ3 LYS 25 3HZ LYS 25 5.335 6.105 -10.916
223 H CYS 26 H CYS 26 7.533 2.351 -3.638
224 HA CYS 26 HA CYS 26 8.442 3.728 -1.377
225 HB2 CYS 26 2HB CYS 26 8.666 1.453 -0.356
226 HB3 CYS 26 1HB CYS 26 7.128 1.685 -1.186
227 H GLN 27 H GLN 27 10.082 1.487 -3.521
228 HA GLN 27 HA GLN 27 12.701 2.282 -2.477
229 HB2 GLN 27 1HB GLN 27 12.311 -0.130 -2.651
230 HB3 GLN 27 2HB GLN 27 11.866 0.037 -4.344
231 HG2 GLN 27 1HG GLN 27 14.134 0.697 -4.904
232 HG3 GLN 27 2HG GLN 27 14.594 0.629 -3.202
233 HE21 GLN 27 1HE2 GLN 27 15.434 -2.520 -5.120
234 HE22 GLN 27 2HE2 GLN 27 15.583 -0.854 -5.544
235 H ALA 28 H ALA 28 13.087 4.231 -3.393
236 HA ALA 28 HA ALA 28 13.350 4.340 -6.298
237 HB1 ALA 28 1HB ALA 28 12.171 6.471 -6.453
238 HB2 ALA 28 2HB ALA 28 11.788 6.400 -4.732
239 HB3 ALA 28 3HB ALA 28 11.099 5.210 -5.838
Start of MODEL 2
1 H1 ALA 1 1H ALA 1 6.373 3.898 10.948
2 H2 ALA 1 2H ALA 1 7.948 3.920 10.340
3 H3 ALA 1 3H ALA 1 7.592 3.021 11.723
4 HA ALA 1 HA ALA 1 7.835 1.600 9.802
5 HB1 ALA 1 1HB ALA 1 4.992 1.749 10.808
6 HB2 ALA 1 2HB ALA 1 6.331 0.935 11.620
7 HB3 ALA 1 3HB ALA 1 5.760 0.348 10.056
8 H GLU 2 H GLU 2 8.177 2.327 7.786
9 HA GLU 2 HA GLU 2 5.840 2.873 6.104
10 HB2 GLU 2 1HB GLU 2 6.998 4.750 4.993
11 HB3 GLU 2 2HB GLU 2 6.671 5.087 6.684
12 HG2 GLU 2 1HG GLU 2 9.336 4.237 5.550
13 HG3 GLU 2 2HG GLU 2 8.877 5.882 5.987
14 H ASP 3 H ASP 3 7.661 0.665 6.599
15 HA ASP 3 HA ASP 3 9.603 0.324 4.595
16 HB2 ASP 3 1HB ASP 3 7.995 -1.978 5.699
17 HB3 ASP 3 2HB ASP 3 9.710 -1.919 5.308
18 H CYS 4 H CYS 4 9.479 -0.896 2.592
19 HA CYS 4 HA CYS 4 7.225 -0.455 0.998
20 HB2 CYS 4 2HB CYS 4 9.462 -2.473 0.729
21 HB3 CYS 4 1HB CYS 4 8.211 -2.274 -0.491
22 H GLU 5 H GLU 5 8.161 -3.223 2.964
23 HA GLU 5 HA GLU 5 5.978 -4.897 2.201
24 HB2 GLU 5 1HB GLU 5 7.534 -5.060 4.792
25 HB3 GLU 5 2HB GLU 5 6.699 -6.360 3.952
26 HG2 GLU 5 1HG GLU 5 9.230 -4.961 3.119
27 HG3 GLU 5 2HG GLU 5 9.040 -6.643 3.608
28 H ARG 6 H ARG 6 6.501 -2.511 4.715
29 HA ARG 6 HA ARG 6 4.194 -2.945 6.260
30 HB2 ARG 6 1HB ARG 6 6.214 -1.371 6.695
31 HB3 ARG 6 2HB ARG 6 5.347 -0.205 5.704
32 HG2 ARG 6 1HG ARG 6 4.830 0.319 7.937
33 HG3 ARG 6 2HG ARG 6 3.397 -0.489 7.295
34 HD2 ARG 6 1HD ARG 6 3.934 -1.309 9.532
35 HD3 ARG 6 2HD ARG 6 4.123 -2.591 8.333
36 HE ARG 6 HE ARG 6 6.576 -1.196 8.817
37 HH11 ARG 6 1HH1 ARG 6 4.507 -3.744 10.015
38 HH12 ARG 6 2HH1 ARG 6 5.765 -4.517 10.920
39 HH21 ARG 6 1HH2 ARG 6 8.237 -2.200 9.996
40 HH22 ARG 6 2HH2 ARG 6 7.892 -3.634 10.912
41 H ILE 7 H ILE 7 4.838 -0.962 3.425
42 HA ILE 7 HA ILE 7 2.301 0.194 3.101
43 HB ILE 7 HB ILE 7 4.368 -0.482 0.985
44 HG12 ILE 7 1HG1 ILE 7 3.944 2.080 2.553
45 HG13 ILE 7 2HG1 ILE 7 5.259 0.939 2.803
46 HG21 ILE 7 1HG2 ILE 7 2.179 -0.008 0.011
47 HG22 ILE 7 2HG2 ILE 7 3.338 1.268 -0.358
48 HG23 ILE 7 3HG2 ILE 7 2.112 1.521 0.888
49 HD11 ILE 7 1HD1 ILE 7 4.771 2.586 0.327
50 HD12 ILE 7 2HD1 ILE 7 6.063 1.401 0.529
51 HD13 ILE 7 3HD1 ILE 7 6.026 2.844 1.539
52 H ARG 8 H ARG 8 3.733 -2.732 1.624
53 HA ARG 8 HA ARG 8 1.663 -3.796 0.204
54 HB2 ARG 8 1HB ARG 8 3.453 -5.273 2.154
55 HB3 ARG 8 2HB ARG 8 2.463 -6.056 0.936
56 HG2 ARG 8 1HG ARG 8 4.586 -4.051 0.230
57 HG3 ARG 8 2HG ARG 8 4.939 -5.766 0.442
58 HD2 ARG 8 1HD ARG 8 3.313 -6.312 -1.312
59 HD3 ARG 8 2HD ARG 8 2.974 -4.592 -1.528
60 HE ARG 8 HE ARG 8 5.697 -4.861 -1.819
61 HH11 ARG 8 1HH1 ARG 8 2.871 -6.137 -3.471
62 HH12 ARG 8 2HH1 ARG 8 3.694 -6.281 -4.995
63 HH21 ARG 8 1HH2 ARG 8 6.752 -5.056 -3.798
64 HH22 ARG 8 2HH2 ARG 8 5.892 -5.689 -5.176
65 H LYS 9 H LYS 9 2.185 -4.293 3.702
66 HA LYS 9 HA LYS 9 -0.171 -5.821 4.033
67 HB2 LYS 9 1HB LYS 9 1.532 -4.426 6.104
68 HB3 LYS 9 2HB LYS 9 0.265 -5.590 6.472
69 HG2 LYS 9 1HG LYS 9 2.766 -6.145 4.880
70 HG3 LYS 9 2HG LYS 9 2.483 -6.604 6.558
71 HD2 LYS 9 1HD LYS 9 0.667 -7.528 4.333
72 HD3 LYS 9 2HD LYS 9 2.146 -8.394 4.743
73 HE2 LYS 9 1HE LYS 9 0.342 -9.461 5.889
74 HE3 LYS 9 2HE LYS 9 1.297 -8.596 7.087
75 HZ1 LYS 9 1HZ LYS 9 -1.283 -7.688 5.926
76 HZ2 LYS 9 2HZ LYS 9 -0.359 -6.821 7.047
77 HZ3 LYS 9 3HZ LYS 9 -1.042 -8.300 7.486
78 H GLU 10 H GLU 10 0.440 -2.353 4.448
79 HA GLU 10 HA GLU 10 -2.053 -1.858 5.712
80 HB2 GLU 10 1HB GLU 10 -0.004 -0.306 5.649
81 HB3 GLU 10 2HB GLU 10 -0.563 0.167 4.045
82 HG2 GLU 10 1HG GLU 10 -2.797 0.658 5.137
83 HG3 GLU 10 2HG GLU 10 -1.960 0.501 6.675
84 H LEU 11 H LEU 11 -0.947 -2.045 2.392
85 HA LEU 11 HA LEU 11 -3.283 -0.888 1.219
86 HB2 LEU 11 1HB LEU 11 -0.921 -1.200 0.177
87 HB3 LEU 11 2HB LEU 11 -1.446 -2.836 -0.178
88 HG LEU 11 HG LEU 11 -3.400 -1.821 -1.437
89 HD11 LEU 11 1HD1 LEU 11 -1.768 0.699 -1.178
90 HD12 LEU 11 2HD1 LEU 11 -3.299 0.394 -0.360
91 HD13 LEU 11 3HD1 LEU 11 -3.242 0.493 -2.121
92 HD21 LEU 11 1HD2 LEU 11 -2.083 -1.321 -3.429
93 HD22 LEU 11 2HD2 LEU 11 -1.448 -2.738 -2.591
94 HD23 LEU 11 3HD2 LEU 11 -0.628 -1.182 -2.444
95 H GLU 12 H GLU 12 -2.206 -4.073 2.083
96 HA GLU 12 HA GLU 12 -4.165 -5.719 1.025
97 HB2 GLU 12 1HB GLU 12 -2.203 -6.572 2.152
98 HB3 GLU 12 2HB GLU 12 -2.683 -5.818 3.662
99 HG2 GLU 12 1HG GLU 12 -4.721 -7.330 3.604
100 HG3 GLU 12 2HG GLU 12 -3.904 -8.202 2.307
101 H LYS 13 H LYS 13 -4.175 -3.868 4.046
102 HA LYS 13 HA LYS 13 -6.820 -4.769 4.789
103 HB2 LYS 13 1HB LYS 13 -4.888 -2.797 6.014
104 HB3 LYS 13 2HB LYS 13 -6.480 -3.105 6.686
105 HG2 LYS 13 1HG LYS 13 -4.456 -5.298 6.272
106 HG3 LYS 13 2HG LYS 13 -4.520 -4.323 7.738
107 HD2 LYS 13 1HD LYS 13 -5.855 -6.056 8.404
108 HD3 LYS 13 2HD LYS 13 -7.086 -5.032 7.667
109 HE2 LYS 13 1HE LYS 13 -7.506 -7.205 6.857
110 HE3 LYS 13 2HE LYS 13 -6.697 -6.372 5.531
111 HZ1 LYS 13 1HZ LYS 13 -5.834 -8.622 5.898
112 HZ2 LYS 13 2HZ LYS 13 -5.361 -8.195 7.461
113 HZ3 LYS 13 3HZ LYS 13 -4.634 -7.452 6.126
114 H ASN 14 H ASN 14 -5.387 -1.906 3.350
115 HA ASN 14 HA ASN 14 -7.990 -0.865 2.655
116 HB2 ASN 14 1HB ASN 14 -7.449 1.405 3.686
117 HB3 ASN 14 2HB ASN 14 -7.898 0.128 4.811
118 HD21 ASN 14 1HD2 ASN 14 -4.167 1.757 4.920
119 HD22 ASN 14 2HD2 ASN 14 -5.255 2.094 3.620
120 HA PRO 15 HA PRO 15 -5.125 0.163 -0.673
121 HB2 PRO 15 2HB PRO 15 -6.991 0.531 -2.593
122 HB3 PRO 15 1HB PRO 15 -6.476 -1.076 -2.063
123 HG2 PRO 15 2HG PRO 15 -8.916 0.482 -1.301
124 HG3 PRO 15 1HG PRO 15 -8.764 -1.245 -1.676
125 HD2 PRO 15 2HD PRO 15 -8.883 -0.255 0.878
126 HD3 PRO 15 1HD PRO 15 -8.054 -1.767 0.451
127 H ASN 16 H ASN 16 -4.765 2.112 0.728
128 HA ASN 16 HA ASN 16 -6.207 4.523 0.135
129 HB2 ASN 16 1HB ASN 16 -3.549 4.000 1.486
130 HB3 ASN 16 2HB ASN 16 -4.181 5.625 1.242
131 HD21 ASN 16 1HD2 ASN 16 -5.082 4.155 4.607
132 HD22 ASN 16 2HD2 ASN 16 -3.602 4.132 3.711
133 H ASP 17 H ASP 17 -5.569 6.230 -1.191
134 HA ASP 17 HA ASP 17 -4.548 5.515 -3.684
135 HB2 ASP 17 1HB ASP 17 -4.771 8.278 -2.467
136 HB3 ASP 17 2HB ASP 17 -4.497 7.951 -4.174
137 H GLU 18 H GLU 18 -2.975 7.506 -1.167
138 HA GLU 18 HA GLU 18 -0.544 7.852 -2.536
139 HB2 GLU 18 1HB GLU 18 -1.270 9.205 -0.571
140 HB3 GLU 18 2HB GLU 18 -0.982 7.809 0.462
141 HG2 GLU 18 1HG GLU 18 1.398 7.845 -0.213
142 HG3 GLU 18 2HG GLU 18 1.081 9.305 -1.149
143 H ILE 19 H ILE 19 -1.521 5.506 -0.076
144 HA ILE 19 HA ILE 19 0.890 4.140 0.217
145 HB ILE 19 HB ILE 19 -1.946 3.112 0.484
146 HG12 ILE 19 1HG1 ILE 19 -1.433 4.997 1.960
147 HG13 ILE 19 2HG1 ILE 19 -1.603 3.515 2.890
148 HG21 ILE 19 1HG2 ILE 19 0.610 1.866 1.506
149 HG22 ILE 19 2HG2 ILE 19 -0.423 1.224 0.228
150 HG23 ILE 19 3HG2 ILE 19 -1.025 1.318 1.881
151 HD11 ILE 19 1HD1 ILE 19 1.002 4.809 2.107
152 HD12 ILE 19 2HD1 ILE 19 0.823 3.334 3.058
153 HD13 ILE 19 3HD1 ILE 19 0.241 4.870 3.698
154 H LYS 20 H LYS 20 -1.794 3.539 -2.023
155 HA LYS 20 HA LYS 20 -0.730 1.229 -3.255
156 HB2 LYS 20 1HB LYS 20 -3.125 2.390 -3.339
157 HB3 LYS 20 2HB LYS 20 -2.467 3.162 -4.770
158 HG2 LYS 20 1HG LYS 20 -2.596 0.177 -4.362
159 HG3 LYS 20 2HG LYS 20 -3.824 1.120 -5.204
160 HD2 LYS 20 1HD LYS 20 -2.141 1.813 -6.863
161 HD3 LYS 20 2HD LYS 20 -0.921 0.857 -6.015
162 HE2 LYS 20 1HE LYS 20 -2.199 -1.179 -6.450
163 HE3 LYS 20 2HE LYS 20 -3.452 -0.235 -7.254
164 HZ1 LYS 20 1HZ LYS 20 -0.641 -0.558 -8.155
165 HZ2 LYS 20 2HZ LYS 20 -1.787 0.432 -8.905
166 HZ3 LYS 20 3HZ LYS 20 -2.014 -1.244 -8.870
167 H LYS 21 H LYS 21 -0.648 4.654 -4.092
168 HA LYS 21 HA LYS 21 0.696 4.419 -6.549
169 HB2 LYS 21 1HB LYS 21 -0.671 6.362 -5.679
170 HB3 LYS 21 2HB LYS 21 0.711 6.803 -4.688
171 HG2 LYS 21 1HG LYS 21 2.042 7.261 -6.632
172 HG3 LYS 21 2HG LYS 21 0.790 6.609 -7.698
173 HD2 LYS 21 1HD LYS 21 -0.756 8.382 -6.881
174 HD3 LYS 21 2HD LYS 21 0.574 9.067 -5.946
175 HE2 LYS 21 1HE LYS 21 1.807 9.542 -7.966
176 HE3 LYS 21 2HE LYS 21 0.594 8.715 -8.946
177 HZ1 LYS 21 1HZ LYS 21 0.112 11.153 -7.322
178 HZ2 LYS 21 2HZ LYS 21 -1.021 10.380 -8.311
179 HZ3 LYS 21 3HZ LYS 21 0.331 11.124 -8.997
180 H LYS 22 H LYS 22 1.850 4.709 -3.242
181 HA LYS 22 HA LYS 22 4.601 5.115 -4.027
182 HB2 LYS 22 1HB LYS 22 3.334 4.530 -1.341
183 HB3 LYS 22 2HB LYS 22 5.059 4.772 -1.566
184 HG2 LYS 22 1HG LYS 22 2.915 6.805 -2.198
185 HG3 LYS 22 2HG LYS 22 3.918 6.795 -0.746
186 HD2 LYS 22 1HD LYS 22 4.968 7.032 -3.575
187 HD3 LYS 22 2HD LYS 22 4.715 8.388 -2.475
188 HE2 LYS 22 1HE LYS 22 6.548 6.053 -1.911
189 HE3 LYS 22 2HE LYS 22 7.080 7.592 -2.585
190 HZ1 LYS 22 1HZ LYS 22 7.371 7.361 -0.136
191 HZ2 LYS 22 2HZ LYS 22 5.687 7.357 0.028
192 HZ3 LYS 22 3HZ LYS 22 6.475 8.713 -0.603
193 H LEU 23 H LEU 23 2.558 2.401 -3.087
194 HA LEU 23 HA LEU 23 4.659 0.533 -2.703
195 HB2 LEU 23 1HB LEU 23 2.272 0.265 -1.927
196 HB3 LEU 23 2HB LEU 23 1.835 -0.098 -3.585
197 HG LEU 23 HG LEU 23 3.264 -2.090 -3.552
198 HD11 LEU 23 1HD1 LEU 23 5.002 -1.294 -2.046
199 HD12 LEU 23 2HD1 LEU 23 4.346 -2.831 -1.494
200 HD13 LEU 23 3HD1 LEU 23 3.866 -1.335 -0.697
201 HD21 LEU 23 1HD2 LEU 23 1.995 -3.438 -1.953
202 HD22 LEU 23 2HD2 LEU 23 0.943 -2.330 -2.838
203 HD23 LEU 23 3HD2 LEU 23 1.408 -1.966 -1.175
204 H GLU 24 H GLU 24 3.008 1.744 -5.515
205 HA GLU 24 HA GLU 24 3.672 -0.116 -7.455
206 HB2 GLU 24 1HB GLU 24 3.697 2.904 -7.677
207 HB3 GLU 24 2HB GLU 24 3.711 1.800 -9.047
208 HG2 GLU 24 1HG GLU 24 1.515 1.954 -6.986
209 HG3 GLU 24 2HG GLU 24 1.485 2.759 -8.552
210 H LYS 25 H LYS 25 5.683 2.223 -5.830
211 HA LYS 25 HA LYS 25 7.966 1.961 -7.534
212 HB2 LYS 25 1HB LYS 25 7.518 3.934 -6.076
213 HB3 LYS 25 2HB LYS 25 7.791 2.922 -4.665
214 HG2 LYS 25 1HG LYS 25 10.107 2.547 -5.394
215 HG3 LYS 25 2HG LYS 25 9.826 3.587 -6.791
216 HD2 LYS 25 1HD LYS 25 9.249 5.437 -5.190
217 HD3 LYS 25 2HD LYS 25 9.760 4.380 -3.874
218 HE2 LYS 25 1HE LYS 25 11.563 5.879 -4.452
219 HE3 LYS 25 2HE LYS 25 12.005 4.234 -4.912
220 HZ1 LYS 25 1HZ LYS 25 12.593 5.754 -6.658
221 HZ2 LYS 25 2HZ LYS 25 11.019 6.371 -6.728
222 HZ3 LYS 25 3HZ LYS 25 11.323 4.774 -7.197
223 H CYS 26 H CYS 26 6.767 0.340 -4.678
224 HA CYS 26 HA CYS 26 9.257 -1.141 -4.308
225 HB2 CYS 26 2HB CYS 26 6.711 -1.070 -2.674
226 HB3 CYS 26 1HB CYS 26 8.146 -2.001 -2.248
227 H GLN 27 H GLN 27 6.809 -1.503 -6.371
228 HA GLN 27 HA GLN 27 6.073 -4.231 -6.038
229 HB2 GLN 27 1HB GLN 27 6.076 -2.484 -8.514
230 HB3 GLN 27 2HB GLN 27 5.401 -4.105 -8.456
231 HG2 GLN 27 1HG GLN 27 4.466 -1.766 -6.805
232 HG3 GLN 27 2HG GLN 27 3.698 -2.341 -8.282
233 HE21 GLN 27 1HE2 GLN 27 2.014 -3.681 -5.201
234 HE22 GLN 27 2HE2 GLN 27 2.540 -2.099 -5.663
235 H ALA 28 H ALA 28 7.993 -5.327 -5.614
236 HA ALA 28 HA ALA 28 9.946 -5.533 -7.797
237 HB1 ALA 28 1HB ALA 28 10.114 -6.514 -4.941
238 HB2 ALA 28 2HB ALA 28 10.869 -5.056 -5.583
239 HB3 ALA 28 3HB ALA 28 11.390 -6.642 -6.151
Start of MODEL 3
1 H1 ALA 1 1H ALA 1 7.920 4.202 7.393
2 H2 ALA 1 2H ALA 1 6.592 4.874 8.185
3 H3 ALA 1 3H ALA 1 7.151 5.556 6.740
4 HA ALA 1 HA ALA 1 6.022 2.833 7.000
5 HB1 ALA 1 1HB ALA 1 4.755 5.351 5.906
6 HB2 ALA 1 2HB ALA 1 4.327 4.551 7.420
7 HB3 ALA 1 3HB ALA 1 4.036 3.738 5.881
8 H GLU 2 H GLU 2 8.530 3.569 5.763
9 HA GLU 2 HA GLU 2 7.963 3.704 2.896
10 HB2 GLU 2 1HB GLU 2 10.592 3.788 4.398
11 HB3 GLU 2 2HB GLU 2 10.415 3.973 2.660
12 HG2 GLU 2 1HG GLU 2 10.707 6.126 3.631
13 HG3 GLU 2 2HG GLU 2 9.049 6.002 3.054
14 H ASP 3 H ASP 3 8.414 1.387 5.244
15 HA ASP 3 HA ASP 3 9.950 -0.573 3.896
16 HB2 ASP 3 1HB ASP 3 7.744 -1.134 5.897
17 HB3 ASP 3 2HB ASP 3 9.173 -2.110 5.570
18 H CYS 4 H CYS 4 9.400 -1.502 2.005
19 HA CYS 4 HA CYS 4 6.999 -1.169 0.686
20 HB2 CYS 4 2HB CYS 4 9.042 -3.374 0.343
21 HB3 CYS 4 1HB CYS 4 7.747 -3.036 -0.799
22 H GLU 5 H GLU 5 7.949 -3.796 2.847
23 HA GLU 5 HA GLU 5 5.714 -5.465 2.410
24 HB2 GLU 5 1HB GLU 5 7.473 -5.144 4.858
25 HB3 GLU 5 2HB GLU 5 6.238 -6.385 4.704
26 HG2 GLU 5 1HG GLU 5 8.331 -7.383 4.192
27 HG3 GLU 5 2HG GLU 5 7.435 -7.233 2.683
28 H ARG 6 H ARG 6 6.309 -2.928 4.830
29 HA ARG 6 HA ARG 6 3.844 -3.043 6.148
30 HB2 ARG 6 1HB ARG 6 5.897 -0.889 5.763
31 HB3 ARG 6 2HB ARG 6 4.341 -0.456 6.455
32 HG2 ARG 6 1HG ARG 6 6.283 -2.481 7.560
33 HG3 ARG 6 2HG ARG 6 5.966 -0.867 8.200
34 HD2 ARG 6 1HD ARG 6 4.110 -3.242 8.139
35 HD3 ARG 6 2HD ARG 6 4.736 -2.387 9.548
36 HE ARG 6 HE ARG 6 3.329 -0.496 8.143
37 HH11 ARG 6 1HH1 ARG 6 2.584 -3.600 9.592
38 HH12 ARG 6 2HH1 ARG 6 0.910 -3.219 9.854
39 HH21 ARG 6 1HH2 ARG 6 1.117 -0.004 8.468
40 HH22 ARG 6 2HH2 ARG 6 0.083 -1.180 9.221
41 H ILE 7 H ILE 7 4.864 -1.021 3.421
42 HA ILE 7 HA ILE 7 2.488 0.395 3.082
43 HB ILE 7 HB ILE 7 4.327 -0.407 0.817
44 HG12 ILE 7 1HG1 ILE 7 4.654 1.955 2.691
45 HG13 ILE 7 2HG1 ILE 7 5.619 0.487 2.770
46 HG21 ILE 7 1HG2 ILE 7 2.632 2.059 1.253
47 HG22 ILE 7 2HG2 ILE 7 2.253 0.727 0.163
48 HG23 ILE 7 3HG2 ILE 7 3.661 1.744 -0.144
49 HD11 ILE 7 1HD1 ILE 7 6.494 0.926 0.544
50 HD12 ILE 7 2HD1 ILE 7 6.804 2.274 1.639
51 HD13 ILE 7 3HD1 ILE 7 5.513 2.388 0.443
52 H ARG 8 H ARG 8 3.537 -2.697 1.683
53 HA ARG 8 HA ARG 8 1.336 -3.163 0.015
54 HB2 ARG 8 1HB ARG 8 3.313 -4.983 1.355
55 HB3 ARG 8 2HB ARG 8 1.950 -5.660 0.473
56 HG2 ARG 8 1HG ARG 8 2.674 -4.448 -1.545
57 HG3 ARG 8 2HG ARG 8 4.069 -3.834 -0.658
58 HD2 ARG 8 1HD ARG 8 3.528 -6.781 -0.922
59 HD3 ARG 8 2HD ARG 8 4.400 -5.885 -2.164
60 HE ARG 8 HE ARG 8 5.603 -5.348 0.306
61 HH11 ARG 8 1HH1 ARG 8 5.107 -8.079 -1.826
62 HH12 ARG 8 2HH1 ARG 8 6.627 -8.818 -1.452
63 HH21 ARG 8 1HH2 ARG 8 7.641 -6.329 0.800
64 HH22 ARG 8 2HH2 ARG 8 8.068 -7.824 0.032
65 H LYS 9 H LYS 9 1.893 -4.360 3.326
66 HA LYS 9 HA LYS 9 -0.698 -5.579 3.379
67 HB2 LYS 9 1HB LYS 9 1.343 -5.205 5.579
68 HB3 LYS 9 2HB LYS 9 -0.113 -6.191 5.708
69 HG2 LYS 9 1HG LYS 9 0.693 -7.557 3.800
70 HG3 LYS 9 2HG LYS 9 2.191 -6.626 3.808
71 HD2 LYS 9 1HD LYS 9 2.697 -7.414 6.058
72 HD3 LYS 9 2HD LYS 9 1.154 -8.273 6.127
73 HE2 LYS 9 1HE LYS 9 1.880 -9.635 4.180
74 HE3 LYS 9 2HE LYS 9 3.449 -8.836 4.244
75 HZ1 LYS 9 1HZ LYS 9 3.520 -10.961 5.352
76 HZ2 LYS 9 2HZ LYS 9 2.260 -10.514 6.385
77 HZ3 LYS 9 3HZ LYS 9 3.749 -9.723 6.480
78 H GLU 10 H GLU 10 0.454 -2.455 4.137
79 HA GLU 10 HA GLU 10 -1.724 -1.749 5.861
80 HB2 GLU 10 1HB GLU 10 0.506 -0.670 5.982
81 HB3 GLU 10 2HB GLU 10 0.260 -0.008 4.370
82 HG2 GLU 10 1HG GLU 10 -1.486 1.383 5.110
83 HG3 GLU 10 2HG GLU 10 -1.590 0.547 6.656
84 H LEU 11 H LEU 11 -0.895 -1.500 2.443
85 HA LEU 11 HA LEU 11 -3.191 0.034 1.676
86 HB2 LEU 11 1HB LEU 11 -1.097 -0.143 0.317
87 HB3 LEU 11 2HB LEU 11 -1.481 -1.821 -0.007
88 HG LEU 11 HG LEU 11 -3.554 -1.071 -1.182
89 HD11 LEU 11 1HD1 LEU 11 -3.842 1.077 -0.027
90 HD12 LEU 11 2HD1 LEU 11 -3.849 1.253 -1.782
91 HD13 LEU 11 3HD1 LEU 11 -2.415 1.698 -0.856
92 HD21 LEU 11 1HD2 LEU 11 -2.431 -0.238 -3.182
93 HD22 LEU 11 2HD2 LEU 11 -1.563 -1.587 -2.448
94 HD23 LEU 11 3HD2 LEU 11 -0.975 0.061 -2.228
95 H GLU 12 H GLU 12 -2.398 -3.312 2.071
96 HA GLU 12 HA GLU 12 -4.445 -4.660 0.838
97 HB2 GLU 12 1HB GLU 12 -2.511 -5.706 1.923
98 HB3 GLU 12 2HB GLU 12 -3.130 -5.244 3.500
99 HG2 GLU 12 1HG GLU 12 -5.042 -6.719 3.205
100 HG3 GLU 12 2HG GLU 12 -4.463 -7.159 1.593
101 H LYS 13 H LYS 13 -4.444 -3.598 4.267
102 HA LYS 13 HA LYS 13 -7.285 -4.113 4.481
103 HB2 LYS 13 1HB LYS 13 -5.146 -3.298 6.402
104 HB3 LYS 13 2HB LYS 13 -6.811 -2.924 6.815
105 HG2 LYS 13 1HG LYS 13 -6.393 -4.976 7.844
106 HG3 LYS 13 2HG LYS 13 -7.319 -5.382 6.401
107 HD2 LYS 13 1HD LYS 13 -5.531 -6.961 6.616
108 HD3 LYS 13 2HD LYS 13 -5.160 -5.907 5.250
109 HE2 LYS 13 1HE LYS 13 -3.629 -4.619 6.620
110 HE3 LYS 13 2HE LYS 13 -4.061 -5.567 8.042
111 HZ1 LYS 13 1HZ LYS 13 -3.087 -7.500 7.072
112 HZ2 LYS 13 2HZ LYS 13 -1.956 -6.248 6.994
113 HZ3 LYS 13 3HZ LYS 13 -2.809 -6.704 5.608
114 H ASN 14 H ASN 14 -5.188 -1.263 4.321
115 HA ASN 14 HA ASN 14 -7.597 0.446 4.400
116 HB2 ASN 14 1HB ASN 14 -6.079 0.832 6.296
117 HB3 ASN 14 2HB ASN 14 -4.752 1.145 5.183
118 HD21 ASN 14 1HD2 ASN 14 -5.722 4.424 4.438
119 HD22 ASN 14 2HD2 ASN 14 -4.762 3.063 3.968
120 HA PRO 15 HA PRO 15 -6.210 0.980 0.058
121 HB2 PRO 15 2HB PRO 15 -8.976 2.023 -0.184
122 HB3 PRO 15 1HB PRO 15 -8.163 0.768 -1.125
123 HG2 PRO 15 2HG PRO 15 -10.076 0.156 0.650
124 HG3 PRO 15 1HG PRO 15 -8.665 -0.896 0.414
125 HD2 PRO 15 2HD PRO 15 -9.198 1.098 2.596
126 HD3 PRO 15 1HD PRO 15 -8.515 -0.538 2.708
127 H ASN 16 H ASN 16 -5.168 2.756 -0.552
128 HA ASN 16 HA ASN 16 -6.290 5.392 -0.335
129 HB2 ASN 16 1HB ASN 16 -5.347 5.072 1.955
130 HB3 ASN 16 2HB ASN 16 -3.771 4.748 1.243
131 HD21 ASN 16 1HD2 ASN 16 -4.223 8.341 2.371
132 HD22 ASN 16 2HD2 ASN 16 -4.656 6.843 3.117
133 H ASP 17 H ASP 17 -5.496 6.644 -1.960
134 HA ASP 17 HA ASP 17 -4.078 5.386 -4.033
135 HB2 ASP 17 1HB ASP 17 -5.680 7.300 -4.316
136 HB3 ASP 17 2HB ASP 17 -4.437 8.374 -3.680
137 H GLU 18 H GLU 18 -3.038 7.708 -1.577
138 HA GLU 18 HA GLU 18 -0.441 8.219 -2.404
139 HB2 GLU 18 1HB GLU 18 -1.311 9.425 -0.537
140 HB3 GLU 18 2HB GLU 18 -1.650 7.951 0.354
141 HG2 GLU 18 1HG GLU 18 0.231 9.024 1.350
142 HG3 GLU 18 2HG GLU 18 0.795 7.560 0.551
143 H ILE 19 H ILE 19 -1.606 5.593 -0.332
144 HA ILE 19 HA ILE 19 0.906 4.383 0.100
145 HB ILE 19 HB ILE 19 -1.827 3.076 0.224
146 HG12 ILE 19 1HG1 ILE 19 -1.795 5.103 1.598
147 HG13 ILE 19 2HG1 ILE 19 -1.796 3.677 2.630
148 HG21 ILE 19 1HG2 ILE 19 0.002 1.467 0.270
149 HG22 ILE 19 2HG2 ILE 19 -0.782 1.559 1.845
150 HG23 ILE 19 3HG2 ILE 19 0.770 2.353 1.587
151 HD11 ILE 19 1HD1 ILE 19 -0.291 5.370 3.481
152 HD12 ILE 19 2HD1 ILE 19 0.596 5.378 1.957
153 HD13 ILE 19 3HD1 ILE 19 0.611 3.942 2.980
154 H LYS 20 H LYS 20 -1.691 3.759 -2.231
155 HA LYS 20 HA LYS 20 -0.646 1.456 -3.437
156 HB2 LYS 20 1HB LYS 20 -2.952 2.713 -3.738
157 HB3 LYS 20 2HB LYS 20 -2.127 3.525 -5.059
158 HG2 LYS 20 1HG LYS 20 -2.474 0.535 -4.795
159 HG3 LYS 20 2HG LYS 20 -3.461 1.591 -5.803
160 HD2 LYS 20 1HD LYS 20 -1.525 2.158 -7.157
161 HD3 LYS 20 2HD LYS 20 -0.477 1.204 -6.104
162 HE2 LYS 20 1HE LYS 20 -1.008 -0.032 -8.135
163 HE3 LYS 20 2HE LYS 20 -1.699 -0.827 -6.722
164 HZ1 LYS 20 1HZ LYS 20 -3.260 -0.760 -8.566
165 HZ2 LYS 20 2HZ LYS 20 -3.176 0.927 -8.612
166 HZ3 LYS 20 3HZ LYS 20 -3.840 0.151 -7.264
167 H LYS 21 H LYS 21 -0.275 4.899 -4.297
168 HA LYS 21 HA LYS 21 1.449 4.511 -6.507
169 HB2 LYS 21 1HB LYS 21 1.126 6.931 -4.710
170 HB3 LYS 21 2HB LYS 21 1.953 6.928 -6.262
171 HG2 LYS 21 1HG LYS 21 -0.973 6.325 -5.827
172 HG3 LYS 21 2HG LYS 21 -0.308 7.846 -6.426
173 HD2 LYS 21 1HD LYS 21 0.569 6.722 -8.395
174 HD3 LYS 21 2HD LYS 21 0.014 5.162 -7.783
175 HE2 LYS 21 1HE LYS 21 -1.496 6.090 -9.497
176 HE3 LYS 21 2HE LYS 21 -2.294 5.876 -7.940
177 HZ1 LYS 21 1HZ LYS 21 -2.152 8.196 -7.515
178 HZ2 LYS 21 2HZ LYS 21 -2.786 8.014 -9.072
179 HZ3 LYS 21 3HZ LYS 21 -1.168 8.458 -8.866
180 H LYS 22 H LYS 22 1.992 4.936 -3.071
181 HA LYS 22 HA LYS 22 4.780 5.300 -3.129
182 HB2 LYS 22 1HB LYS 22 3.189 5.634 -1.164
183 HB3 LYS 22 2HB LYS 22 3.224 3.892 -0.944
184 HG2 LYS 22 1HG LYS 22 5.631 3.982 -0.530
185 HG3 LYS 22 2HG LYS 22 5.619 5.725 -0.798
186 HD2 LYS 22 1HD LYS 22 4.087 4.284 1.379
187 HD3 LYS 22 2HD LYS 22 5.620 5.126 1.605
188 HE2 LYS 22 1HE LYS 22 3.088 6.448 0.612
189 HE3 LYS 22 2HE LYS 22 3.605 6.441 2.297
190 HZ1 LYS 22 1HZ LYS 22 5.605 7.619 1.666
191 HZ2 LYS 22 2HZ LYS 22 4.241 8.482 1.160
192 HZ3 LYS 22 3HZ LYS 22 5.147 7.598 0.037
193 H LEU 23 H LEU 23 2.734 2.422 -3.117
194 HA LEU 23 HA LEU 23 4.823 0.498 -3.042
195 HB2 LEU 23 1HB LEU 23 1.957 0.449 -3.913
196 HB3 LEU 23 2HB LEU 23 2.981 -0.932 -4.240
197 HG LEU 23 HG LEU 23 2.312 0.194 -1.518
198 HD11 LEU 23 1HD1 LEU 23 1.628 -2.499 -2.685
199 HD12 LEU 23 2HD1 LEU 23 0.539 -1.113 -2.732
200 HD13 LEU 23 3HD1 LEU 23 1.039 -1.783 -1.185
201 HD21 LEU 23 1HD2 LEU 23 4.612 -0.631 -1.566
202 HD22 LEU 23 2HD2 LEU 23 4.064 -2.154 -2.264
203 HD23 LEU 23 3HD2 LEU 23 3.580 -1.710 -0.627
204 H GLU 24 H GLU 24 3.484 2.423 -5.604
205 HA GLU 24 HA GLU 24 3.899 0.785 -7.803
206 HB2 GLU 24 1HB GLU 24 2.631 2.962 -7.733
207 HB3 GLU 24 2HB GLU 24 4.176 3.798 -7.799
208 HG2 GLU 24 1HG GLU 24 3.144 3.708 -9.990
209 HG3 GLU 24 2HG GLU 24 4.639 2.772 -9.972
210 H LYS 25 H LYS 25 6.208 2.611 -5.953
211 HA LYS 25 HA LYS 25 8.345 1.563 -7.682
212 HB2 LYS 25 1HB LYS 25 7.911 3.985 -8.200
213 HB3 LYS 25 2HB LYS 25 8.333 4.372 -6.537
214 HG2 LYS 25 1HG LYS 25 10.597 3.643 -6.871
215 HG3 LYS 25 2HG LYS 25 10.207 3.004 -8.469
216 HD2 LYS 25 1HD LYS 25 9.989 5.925 -7.712
217 HD3 LYS 25 2HD LYS 25 11.397 5.206 -8.499
218 HE2 LYS 25 1HE LYS 25 8.587 5.222 -9.618
219 HE3 LYS 25 2HE LYS 25 9.884 6.313 -10.106
220 HZ1 LYS 25 1HZ LYS 25 9.695 4.500 -11.660
221 HZ2 LYS 25 2HZ LYS 25 9.868 3.358 -10.427
222 HZ3 LYS 25 3HZ LYS 25 11.164 4.368 -10.832
223 H CYS 26 H CYS 26 7.214 0.648 -5.164
224 HA CYS 26 HA CYS 26 9.579 0.933 -3.420
225 HB2 CYS 26 2HB CYS 26 7.264 1.555 -2.495
226 HB3 CYS 26 1HB CYS 26 6.902 -0.165 -2.545
227 H GLN 27 H GLN 27 10.918 -0.621 -4.112
228 HA GLN 27 HA GLN 27 10.205 -3.354 -3.562
229 HB2 GLN 27 1HB GLN 27 9.405 -3.199 -5.864
230 HB3 GLN 27 2HB GLN 27 10.946 -2.526 -6.382
231 HG2 GLN 27 1HG GLN 27 12.072 -4.602 -5.924
232 HG3 GLN 27 2HG GLN 27 10.608 -5.283 -5.214
233 HE21 GLN 27 1HE2 GLN 27 11.127 -5.190 -9.244
234 HE22 GLN 27 2HE2 GLN 27 12.189 -4.337 -8.180
235 H ALA 28 H ALA 28 12.619 -1.333 -5.220
236 HA ALA 28 HA ALA 28 14.817 -2.862 -4.156
237 HB1 ALA 28 1HB ALA 28 14.999 -1.793 -6.343
238 HB2 ALA 28 2HB ALA 28 16.229 -1.175 -5.241
239 HB3 ALA 28 3HB ALA 28 14.798 -0.206 -5.598
Start of MODEL 4
1 H1 ALA 1 1H ALA 1 16.803 -2.246 3.045
2 H2 ALA 1 2H ALA 1 17.620 -1.798 4.456
3 H3 ALA 1 3H ALA 1 17.129 -0.615 3.353
4 HA ALA 1 HA ALA 1 15.366 -2.340 4.982
5 HB1 ALA 1 1HB ALA 1 14.731 -0.277 6.120
6 HB2 ALA 1 2HB ALA 1 15.857 0.639 5.116
7 HB3 ALA 1 3HB ALA 1 16.468 -0.556 6.259
8 H GLU 2 H GLU 2 13.909 -2.997 3.488
9 HA GLU 2 HA GLU 2 12.729 -0.975 1.703
10 HB2 GLU 2 1HB GLU 2 12.626 -4.002 1.551
11 HB3 GLU 2 2HB GLU 2 11.849 -2.906 0.417
12 HG2 GLU 2 1HG GLU 2 13.848 -3.671 -0.594
13 HG3 GLU 2 2HG GLU 2 14.111 -1.993 -0.135
14 H ASP 3 H ASP 3 10.919 -0.113 2.424
15 HA ASP 3 HA ASP 3 9.304 -1.525 4.413
16 HB2 ASP 3 1HB ASP 3 9.042 1.307 3.362
17 HB3 ASP 3 2HB ASP 3 8.129 0.617 4.697
18 H CYS 4 H CYS 4 9.428 -1.936 1.338
19 HA CYS 4 HA CYS 4 6.942 -1.258 0.241
20 HB2 CYS 4 2HB CYS 4 8.630 -3.661 -0.486
21 HB3 CYS 4 1HB CYS 4 7.474 -2.823 -1.518
22 H GLU 5 H GLU 5 7.991 -4.066 2.107
23 HA GLU 5 HA GLU 5 5.621 -5.582 1.884
24 HB2 GLU 5 1HB GLU 5 7.662 -5.475 4.125
25 HB3 GLU 5 2HB GLU 5 6.414 -6.706 3.964
26 HG2 GLU 5 1HG GLU 5 7.388 -7.501 1.910
27 HG3 GLU 5 2HG GLU 5 8.566 -6.188 1.920
28 H ARG 6 H ARG 6 6.696 -3.158 4.215
29 HA ARG 6 HA ARG 6 4.582 -3.176 6.018
30 HB2 ARG 6 1HB ARG 6 5.921 -0.633 5.063
31 HB3 ARG 6 2HB ARG 6 5.262 -0.966 6.655
32 HG2 ARG 6 1HG ARG 6 7.679 -2.328 5.490
33 HG3 ARG 6 2HG ARG 6 7.737 -0.922 6.549
34 HD2 ARG 6 1HD ARG 6 6.649 -2.230 8.323
35 HD3 ARG 6 2HD ARG 6 6.614 -3.636 7.255
36 HE ARG 6 HE ARG 6 9.014 -3.686 7.315
37 HH11 ARG 6 1HH1 ARG 6 7.490 -1.633 9.712
38 HH12 ARG 6 2HH1 ARG 6 8.929 -1.474 10.669
39 HH21 ARG 6 1HH2 ARG 6 10.896 -3.495 8.577
40 HH22 ARG 6 2HH2 ARG 6 10.861 -2.563 10.038
41 H ILE 7 H ILE 7 5.030 -1.018 3.233
42 HA ILE 7 HA ILE 7 2.476 0.142 3.303
43 HB ILE 7 HB ILE 7 4.331 -0.129 0.920
44 HG12 ILE 7 1HG1 ILE 7 4.100 2.066 3.008
45 HG13 ILE 7 2HG1 ILE 7 5.441 0.939 2.830
46 HG21 ILE 7 1HG2 ILE 7 2.074 1.814 1.425
47 HG22 ILE 7 2HG2 ILE 7 2.061 0.488 0.262
48 HG23 ILE 7 3HG2 ILE 7 3.167 1.844 0.042
49 HD11 ILE 7 1HD1 ILE 7 4.620 3.040 0.836
50 HD12 ILE 7 2HD1 ILE 7 5.949 1.898 0.638
51 HD13 ILE 7 3HD1 ILE 7 6.008 3.105 1.920
52 H ARG 8 H ARG 8 3.677 -2.781 1.761
53 HA ARG 8 HA ARG 8 1.549 -3.304 0.022
54 HB2 ARG 8 1HB ARG 8 3.687 -4.623 0.123
55 HB3 ARG 8 2HB ARG 8 3.104 -5.369 1.611
56 HG2 ARG 8 1HG ARG 8 1.086 -6.128 0.250
57 HG3 ARG 8 2HG ARG 8 2.008 -5.656 -1.176
58 HD2 ARG 8 1HD ARG 8 2.842 -7.687 0.894
59 HD3 ARG 8 2HD ARG 8 2.230 -8.045 -0.716
60 HE ARG 8 HE ARG 8 4.785 -6.643 -0.219
61 HH11 ARG 8 1HH1 ARG 8 2.832 -8.883 -2.066
62 HH12 ARG 8 2HH1 ARG 8 4.160 -9.431 -3.038
63 HH21 ARG 8 1HH2 ARG 8 6.537 -7.391 -1.502
64 HH22 ARG 8 2HH2 ARG 8 6.250 -8.598 -2.716
65 H LYS 9 H LYS 9 2.049 -4.306 3.402
66 HA LYS 9 HA LYS 9 -0.525 -5.499 3.647
67 HB2 LYS 9 1HB LYS 9 1.660 -4.785 5.575
68 HB3 LYS 9 2HB LYS 9 0.085 -5.264 6.195
69 HG2 LYS 9 1HG LYS 9 1.721 -6.927 4.281
70 HG3 LYS 9 2HG LYS 9 1.742 -7.120 6.038
71 HD2 LYS 9 1HD LYS 9 -0.663 -7.606 6.019
72 HD3 LYS 9 2HD LYS 9 -0.703 -7.381 4.270
73 HE2 LYS 9 1HE LYS 9 0.981 -9.466 5.663
74 HE3 LYS 9 2HE LYS 9 -0.635 -9.773 5.029
75 HZ1 LYS 9 1HZ LYS 9 1.703 -8.880 3.426
76 HZ2 LYS 9 2HZ LYS 9 0.157 -9.192 2.822
77 HZ3 LYS 9 3HZ LYS 9 1.081 -10.450 3.469
78 H GLU 10 H GLU 10 0.689 -2.257 4.216
79 HA GLU 10 HA GLU 10 -1.606 -1.317 5.601
80 HB2 GLU 10 1HB GLU 10 0.469 0.157 3.964
81 HB3 GLU 10 2HB GLU 10 -0.800 0.962 4.879
82 HG2 GLU 10 1HG GLU 10 1.420 -0.757 5.978
83 HG3 GLU 10 2HG GLU 10 1.233 0.988 6.152
84 H LEU 11 H LEU 11 -0.750 -1.581 2.206
85 HA LEU 11 HA LEU 11 -3.068 -0.159 1.268
86 HB2 LEU 11 1HB LEU 11 -0.869 -0.318 0.052
87 HB3 LEU 11 2HB LEU 11 -1.214 -2.003 -0.267
88 HG LEU 11 HG LEU 11 -1.637 -0.312 -2.149
89 HD11 LEU 11 1HD1 LEU 11 -2.455 -2.621 -2.228
90 HD12 LEU 11 2HD1 LEU 11 -3.583 -1.495 -2.981
91 HD13 LEU 11 3HD1 LEU 11 -3.917 -2.129 -1.370
92 HD21 LEU 11 1HD2 LEU 11 -2.764 1.384 -0.799
93 HD22 LEU 11 2HD2 LEU 11 -4.090 0.265 -0.486
94 HD23 LEU 11 3HD2 LEU 11 -3.786 0.836 -2.126
95 H GLU 12 H GLU 12 -2.149 -3.472 1.864
96 HA GLU 12 HA GLU 12 -4.235 -4.824 0.586
97 HB2 GLU 12 1HB GLU 12 -2.116 -5.792 1.627
98 HB3 GLU 12 2HB GLU 12 -2.908 -5.647 3.185
99 HG2 GLU 12 1HG GLU 12 -4.026 -7.261 0.904
100 HG3 GLU 12 2HG GLU 12 -2.953 -7.924 2.132
101 H LYS 13 H LYS 13 -3.945 -3.915 4.022
102 HA LYS 13 HA LYS 13 -6.664 -4.585 4.598
103 HB2 LYS 13 1HB LYS 13 -4.935 -4.793 6.301
104 HB3 LYS 13 2HB LYS 13 -4.598 -3.070 6.205
105 HG2 LYS 13 1HG LYS 13 -6.770 -2.541 7.120
106 HG3 LYS 13 2HG LYS 13 -7.230 -4.246 7.096
107 HD2 LYS 13 1HD LYS 13 -5.470 -4.752 8.724
108 HD3 LYS 13 2HD LYS 13 -4.976 -3.056 8.728
109 HE2 LYS 13 1HE LYS 13 -6.372 -3.585 10.668
110 HE3 LYS 13 2HE LYS 13 -7.152 -2.409 9.613
111 HZ1 LYS 13 1HZ LYS 13 -8.564 -4.116 8.739
112 HZ2 LYS 13 2HZ LYS 13 -8.661 -4.163 10.428
113 HZ3 LYS 13 3HZ LYS 13 -7.746 -5.319 9.599
114 H ASN 14 H ASN 14 -4.904 -1.558 4.054
115 HA ASN 14 HA ASN 14 -7.477 -0.107 4.092
116 HB2 ASN 14 1HB ASN 14 -6.043 0.623 5.922
117 HB3 ASN 14 2HB ASN 14 -4.706 0.897 4.808
118 HD21 ASN 14 1HD2 ASN 14 -5.826 4.030 3.734
119 HD22 ASN 14 2HD2 ASN 14 -4.742 2.705 3.470
120 HA PRO 15 HA PRO 15 -5.968 0.112 -0.201
121 HB2 PRO 15 2HB PRO 15 -8.357 -0.037 -1.425
122 HB3 PRO 15 1HB PRO 15 -7.583 -1.460 -0.717
123 HG2 PRO 15 2HG PRO 15 -9.800 0.231 0.373
124 HG3 PRO 15 1HG PRO 15 -9.610 -1.532 0.413
125 HD2 PRO 15 2HD PRO 15 -9.009 0.160 2.518
126 HD3 PRO 15 1HD PRO 15 -8.321 -1.461 2.302
127 H ASN 16 H ASN 16 -5.214 2.196 -0.293
128 HA ASN 16 HA ASN 16 -7.136 4.162 -1.342
129 HB2 ASN 16 1HB ASN 16 -4.954 4.689 0.695
130 HB3 ASN 16 2HB ASN 16 -5.644 5.970 -0.296
131 HD21 ASN 16 1HD2 ASN 16 -8.639 6.187 1.499
132 HD22 ASN 16 2HD2 ASN 16 -7.803 6.580 0.037
133 H ASP 17 H ASP 17 -6.411 5.307 -3.093
134 HA ASP 17 HA ASP 17 -4.514 4.080 -4.734
135 HB2 ASP 17 1HB ASP 17 -5.708 6.857 -4.870
136 HB3 ASP 17 2HB ASP 17 -4.684 6.179 -6.133
137 H GLU 18 H GLU 18 -4.209 6.803 -2.526
138 HA GLU 18 HA GLU 18 -1.664 7.698 -3.246
139 HB2 GLU 18 1HB GLU 18 -3.099 8.895 -1.658
140 HB3 GLU 18 2HB GLU 18 -2.912 7.594 -0.489
141 HG2 GLU 18 1HG GLU 18 -0.534 8.069 -0.304
142 HG3 GLU 18 2HG GLU 18 -0.673 9.328 -1.530
143 H ILE 19 H ILE 19 -2.522 5.400 -0.656
144 HA ILE 19 HA ILE 19 0.075 4.659 0.045
145 HB ILE 19 HB ILE 19 -2.404 2.918 0.151
146 HG12 ILE 19 1HG1 ILE 19 -2.773 5.070 1.276
147 HG13 ILE 19 2HG1 ILE 19 -2.677 3.764 2.451
148 HG21 ILE 19 1HG2 ILE 19 0.176 2.762 1.720
149 HG22 ILE 19 2HG2 ILE 19 -0.373 1.625 0.489
150 HG23 ILE 19 3HG2 ILE 19 -1.258 1.775 2.007
151 HD11 ILE 19 1HD1 ILE 19 -0.459 5.692 1.789
152 HD12 ILE 19 2HD1 ILE 19 -0.394 4.404 2.993
153 HD13 ILE 19 3HD1 ILE 19 -1.505 5.757 3.209
154 H LYS 20 H LYS 20 -2.098 3.419 -2.413
155 HA LYS 20 HA LYS 20 -0.666 1.168 -3.235
156 HB2 LYS 20 1HB LYS 20 -3.052 2.024 -3.850
157 HB3 LYS 20 2HB LYS 20 -2.241 2.895 -5.139
158 HG2 LYS 20 1HG LYS 20 -2.076 -0.093 -4.758
159 HG3 LYS 20 2HG LYS 20 -3.247 0.710 -5.802
160 HD2 LYS 20 1HD LYS 20 -1.310 1.723 -7.045
161 HD3 LYS 20 2HD LYS 20 -0.239 0.694 -6.091
162 HE2 LYS 20 1HE LYS 20 -0.721 -0.299 -8.273
163 HE3 LYS 20 2HE LYS 20 -1.358 -1.296 -6.963
164 HZ1 LYS 20 1HZ LYS 20 -3.547 -0.437 -7.372
165 HZ2 LYS 20 2HZ LYS 20 -2.919 -1.027 -8.826
166 HZ3 LYS 20 3HZ LYS 20 -2.966 0.640 -8.540
167 H LYS 21 H LYS 21 -0.519 4.541 -4.415
168 HA LYS 21 HA LYS 21 1.589 3.882 -6.272
169 HB2 LYS 21 1HB LYS 21 1.554 6.243 -6.889
170 HB3 LYS 21 2HB LYS 21 -0.061 5.563 -6.886
171 HG2 LYS 21 1HG LYS 21 -0.507 7.535 -5.859
172 HG3 LYS 21 2HG LYS 21 -0.096 6.584 -4.434
173 HD2 LYS 21 1HD LYS 21 1.001 8.768 -4.374
174 HD3 LYS 21 2HD LYS 21 2.198 7.477 -4.504
175 HE2 LYS 21 1HE LYS 21 2.722 9.375 -5.986
176 HE3 LYS 21 2HE LYS 21 2.424 7.893 -6.892
177 HZ1 LYS 21 1HZ LYS 21 1.330 9.749 -7.934
178 HZ2 LYS 21 2HZ LYS 21 0.507 10.126 -6.512
179 HZ3 LYS 21 3HZ LYS 21 0.163 8.689 -7.327
180 H LYS 22 H LYS 22 1.395 4.892 -2.999
181 HA LYS 22 HA LYS 22 4.085 5.858 -2.780
182 HB2 LYS 22 1HB LYS 22 2.122 4.844 -0.706
183 HB3 LYS 22 2HB LYS 22 3.732 5.426 -0.302
184 HG2 LYS 22 1HG LYS 22 1.588 7.056 -1.667
185 HG3 LYS 22 2HG LYS 22 1.988 7.127 0.050
186 HD2 LYS 22 1HD LYS 22 3.922 7.745 -2.192
187 HD3 LYS 22 2HD LYS 22 3.015 8.958 -1.289
188 HE2 LYS 22 1HE LYS 22 4.967 6.994 -0.080
189 HE3 LYS 22 2HE LYS 22 5.333 8.673 -0.468
190 HZ1 LYS 22 1HZ LYS 22 4.793 8.381 1.872
191 HZ2 LYS 22 2HZ LYS 22 3.275 7.767 1.471
192 HZ3 LYS 22 3HZ LYS 22 3.653 9.375 1.118
193 H LEU 23 H LEU 23 2.496 2.753 -2.671
194 HA LEU 23 HA LEU 23 4.649 1.194 -1.735
195 HB2 LEU 23 1HB LEU 23 2.159 0.574 -2.203
196 HB3 LEU 23 2HB LEU 23 2.706 0.247 -3.834
197 HG LEU 23 HG LEU 23 3.832 -1.131 -1.383
198 HD11 LEU 23 1HD1 LEU 23 2.454 -3.053 -2.015
199 HD12 LEU 23 2HD1 LEU 23 1.703 -2.103 -3.298
200 HD13 LEU 23 3HD1 LEU 23 1.459 -1.656 -1.608
201 HD21 LEU 23 1HD2 LEU 23 5.342 -1.157 -3.300
202 HD22 LEU 23 2HD2 LEU 23 4.052 -1.777 -4.331
203 HD23 LEU 23 3HD2 LEU 23 4.681 -2.767 -3.012
204 H GLU 24 H GLU 24 3.786 2.435 -4.918
205 HA GLU 24 HA GLU 24 5.715 1.143 -6.484
206 HB2 GLU 24 1HB GLU 24 3.833 2.437 -7.411
207 HB3 GLU 24 2HB GLU 24 4.551 3.924 -6.812
208 HG2 GLU 24 1HG GLU 24 4.961 3.709 -9.176
209 HG3 GLU 24 2HG GLU 24 6.484 3.572 -8.294
210 H LYS 25 H LYS 25 5.928 3.891 -4.348
211 HA LYS 25 HA LYS 25 8.799 4.193 -4.986
212 HB2 LYS 25 1HB LYS 25 6.864 6.229 -3.845
213 HB3 LYS 25 2HB LYS 25 8.582 6.499 -4.112
214 HG2 LYS 25 1HG LYS 25 8.257 6.158 -6.525
215 HG3 LYS 25 2HG LYS 25 6.533 5.915 -6.248
216 HD2 LYS 25 1HD LYS 25 6.982 8.187 -7.020
217 HD3 LYS 25 2HD LYS 25 6.349 8.200 -5.373
218 HE2 LYS 25 1HE LYS 25 8.234 9.773 -5.702
219 HE3 LYS 25 2HE LYS 25 8.566 8.549 -4.475
220 HZ1 LYS 25 1HZ LYS 25 9.898 7.339 -6.047
221 HZ2 LYS 25 2HZ LYS 25 10.442 8.937 -5.990
222 HZ3 LYS 25 3HZ LYS 25 9.502 8.413 -7.291
223 H CYS 26 H CYS 26 7.649 2.233 -3.238
224 HA CYS 26 HA CYS 26 7.596 2.895 -0.537
225 HB2 CYS 26 2HB CYS 26 8.016 0.444 -0.180
226 HB3 CYS 26 1HB CYS 26 6.702 0.802 -1.296
227 H GLN 27 H GLN 27 10.287 1.391 -2.340
228 HA GLN 27 HA GLN 27 12.070 1.508 -0.133
229 HB2 GLN 27 1HB GLN 27 12.253 -0.163 -1.976
230 HB3 GLN 27 2HB GLN 27 12.742 1.133 -3.060
231 HG2 GLN 27 1HG GLN 27 14.706 1.558 -1.633
232 HG3 GLN 27 2HG GLN 27 14.229 0.207 -0.605
233 HE21 GLN 27 1HE2 GLN 27 16.448 -1.673 -2.534
234 HE22 GLN 27 2HE2 GLN 27 16.105 -0.939 -1.005
235 H ALA 28 H ALA 28 12.110 3.600 0.563
236 HA ALA 28 HA ALA 28 13.127 5.687 -1.216
237 HB1 ALA 28 1HB ALA 28 12.574 7.229 0.600
238 HB2 ALA 28 2HB ALA 28 12.120 5.871 1.629
239 HB3 ALA 28 3HB ALA 28 11.187 6.227 0.175
Start of MODEL 5
1 H1 ALA 1 1H ALA 1 15.390 -1.111 0.564
2 H2 ALA 1 2H ALA 1 15.855 -1.898 1.982
3 H3 ALA 1 3H ALA 1 16.158 -0.246 1.797
4 HA ALA 1 HA ALA 1 14.305 -0.611 3.267
5 HB1 ALA 1 1HB ALA 1 13.480 0.566 0.610
6 HB2 ALA 1 2HB ALA 1 14.370 1.409 1.882
7 HB3 ALA 1 3HB ALA 1 12.713 0.873 2.171
8 H GLU 2 H GLU 2 13.326 -2.480 3.802
9 HA GLU 2 HA GLU 2 11.805 -4.029 1.857
10 HB2 GLU 2 1HB GLU 2 12.417 -4.348 4.786
11 HB3 GLU 2 2HB GLU 2 11.221 -5.360 3.987
12 HG2 GLU 2 1HG GLU 2 13.496 -6.320 4.212
13 HG3 GLU 2 2HG GLU 2 12.838 -6.342 2.584
14 H ASP 3 H ASP 3 11.303 -1.301 3.439
15 HA ASP 3 HA ASP 3 8.814 -1.166 4.512
16 HB2 ASP 3 1HB ASP 3 10.109 0.830 4.281
17 HB3 ASP 3 2HB ASP 3 10.128 0.692 2.533
18 H CYS 4 H CYS 4 9.571 -1.874 1.157
19 HA CYS 4 HA CYS 4 7.158 -1.606 -0.123
20 HB2 CYS 4 2HB CYS 4 8.984 -4.018 -0.341
21 HB3 CYS 4 1HB CYS 4 7.805 -3.502 -1.539
22 H GLU 5 H GLU 5 8.201 -4.264 1.975
23 HA GLU 5 HA GLU 5 5.948 -5.888 2.016
24 HB2 GLU 5 1HB GLU 5 8.168 -6.329 3.118
25 HB3 GLU 5 2HB GLU 5 7.734 -5.180 4.371
26 HG2 GLU 5 1HG GLU 5 7.298 -7.267 5.316
27 HG3 GLU 5 2HG GLU 5 5.714 -6.680 4.816
28 H ARG 6 H ARG 6 6.774 -3.181 4.139
29 HA ARG 6 HA ARG 6 4.564 -3.097 5.795
30 HB2 ARG 6 1HB ARG 6 6.648 -1.728 6.058
31 HB3 ARG 6 2HB ARG 6 6.125 -0.735 4.709
32 HG2 ARG 6 1HG ARG 6 4.179 0.014 5.964
33 HG3 ARG 6 2HG ARG 6 4.637 -1.018 7.320
34 HD2 ARG 6 1HD ARG 6 6.672 0.254 7.650
35 HD3 ARG 6 2HD ARG 6 6.332 1.227 6.219
36 HE ARG 6 HE ARG 6 4.155 1.668 7.735
37 HH11 ARG 6 1HH1 ARG 6 7.569 1.800 8.470
38 HH12 ARG 6 2HH1 ARG 6 7.404 3.061 9.650
39 HH21 ARG 6 1HH2 ARG 6 3.933 3.349 9.290
40 HH22 ARG 6 2HH2 ARG 6 5.342 3.962 10.087
41 H ILE 7 H ILE 7 5.101 -1.347 2.758
42 HA ILE 7 HA ILE 7 2.641 0.021 2.745
43 HB ILE 7 HB ILE 7 4.174 -0.718 0.248
44 HG12 ILE 7 1HG1 ILE 7 4.743 1.673 2.019
45 HG13 ILE 7 2HG1 ILE 7 5.705 0.199 2.038
46 HG21 ILE 7 1HG2 ILE 7 2.478 1.674 0.992
47 HG22 ILE 7 2HG2 ILE 7 2.020 0.357 -0.088
48 HG23 ILE 7 3HG2 ILE 7 3.323 1.453 -0.541
49 HD11 ILE 7 1HD1 ILE 7 6.277 0.532 -0.303
50 HD12 ILE 7 2HD1 ILE 7 6.738 1.923 0.680
51 HD13 ILE 7 3HD1 ILE 7 5.303 2.001 -0.335
52 H ARG 8 H ARG 8 3.677 -3.054 1.337
53 HA ARG 8 HA ARG 8 1.417 -3.518 -0.268
54 HB2 ARG 8 1HB ARG 8 3.612 -4.795 -0.317
55 HB3 ARG 8 2HB ARG 8 3.054 -5.659 1.107
56 HG2 ARG 8 1HG ARG 8 1.034 -6.352 -0.245
57 HG3 ARG 8 2HG ARG 8 1.857 -5.690 -1.659
58 HD2 ARG 8 1HD ARG 8 2.307 -8.022 -1.629
59 HD3 ARG 8 2HD ARG 8 3.790 -7.216 -1.111
60 HE ARG 8 HE ARG 8 1.888 -8.591 0.686
61 HH11 ARG 8 1HH1 ARG 8 5.122 -7.439 -0.036
62 HH12 ARG 8 2HH1 ARG 8 5.839 -8.226 1.337
63 HH21 ARG 8 1HH2 ARG 8 2.838 -9.653 2.464
64 HH22 ARG 8 2HH2 ARG 8 4.542 -9.475 2.757
65 H LYS 9 H LYS 9 2.174 -4.501 3.058
66 HA LYS 9 HA LYS 9 -0.302 -5.849 3.480
67 HB2 LYS 9 1HB LYS 9 1.802 -4.825 5.391
68 HB3 LYS 9 2HB LYS 9 0.387 -5.728 5.917
69 HG2 LYS 9 1HG LYS 9 2.452 -6.754 3.966
70 HG3 LYS 9 2HG LYS 9 2.422 -7.120 5.692
71 HD2 LYS 9 1HD LYS 9 0.207 -7.773 3.736
72 HD3 LYS 9 2HD LYS 9 1.416 -8.918 4.321
73 HE2 LYS 9 1HE LYS 9 0.606 -8.669 6.594
74 HE3 LYS 9 2HE LYS 9 -0.533 -7.424 6.084
75 HZ1 LYS 9 1HZ LYS 9 -0.581 -10.248 5.167
76 HZ2 LYS 9 2HZ LYS 9 -1.707 -9.051 4.775
77 HZ3 LYS 9 3HZ LYS 9 -1.576 -9.600 6.365
78 H GLU 10 H GLU 10 0.767 -2.552 3.926
79 HA GLU 10 HA GLU 10 -1.482 -1.721 5.458
80 HB2 GLU 10 1HB GLU 10 0.803 -0.607 5.328
81 HB3 GLU 10 2HB GLU 10 0.321 0.007 3.750
82 HG2 GLU 10 1HG GLU 10 -1.564 1.159 4.783
83 HG3 GLU 10 2HG GLU 10 -1.073 0.543 6.357
84 H LEU 11 H LEU 11 -0.692 -1.927 2.057
85 HA LEU 11 HA LEU 11 -2.929 -0.378 1.115
86 HB2 LEU 11 1HB LEU 11 -0.819 -0.569 -0.161
87 HB3 LEU 11 2HB LEU 11 -1.089 -2.290 -0.352
88 HG LEU 11 HG LEU 11 -3.133 -1.788 -1.685
89 HD11 LEU 11 1HD1 LEU 11 -2.211 1.074 -1.446
90 HD12 LEU 11 2HD1 LEU 11 -3.680 0.389 -0.748
91 HD13 LEU 11 3HD1 LEU 11 -3.500 0.491 -2.499
92 HD21 LEU 11 1HD2 LEU 11 -1.961 -1.019 -3.695
93 HD22 LEU 11 2HD2 LEU 11 -1.024 -2.224 -2.815
94 HD23 LEU 11 3HD2 LEU 11 -0.593 -0.517 -2.703
95 H GLU 12 H GLU 12 -2.168 -3.698 1.719
96 HA GLU 12 HA GLU 12 -4.221 -5.126 0.598
97 HB2 GLU 12 1HB GLU 12 -2.407 -6.156 1.834
98 HB3 GLU 12 2HB GLU 12 -2.909 -5.360 3.314
99 HG2 GLU 12 1HG GLU 12 -5.001 -6.695 3.261
100 HG3 GLU 12 2HG GLU 12 -4.360 -7.562 1.863
101 H LYS 13 H LYS 13 -4.194 -3.532 3.761
102 HA LYS 13 HA LYS 13 -7.024 -3.955 4.178
103 HB2 LYS 13 1HB LYS 13 -4.968 -2.433 5.796
104 HB3 LYS 13 2HB LYS 13 -6.608 -2.802 6.322
105 HG2 LYS 13 1HG LYS 13 -6.145 -5.154 6.349
106 HG3 LYS 13 2HG LYS 13 -4.568 -4.902 5.597
107 HD2 LYS 13 1HD LYS 13 -3.786 -3.716 7.576
108 HD3 LYS 13 2HD LYS 13 -5.379 -3.865 8.321
109 HE2 LYS 13 1HE LYS 13 -3.772 -5.524 9.188
110 HE3 LYS 13 2HE LYS 13 -5.156 -6.277 8.401
111 HZ1 LYS 13 1HZ LYS 13 -3.790 -6.621 6.423
112 HZ2 LYS 13 2HZ LYS 13 -3.096 -7.354 7.777
113 HZ3 LYS 13 3HZ LYS 13 -2.466 -5.900 7.194
114 H ASN 14 H ASN 14 -4.882 -1.279 3.359
115 HA ASN 14 HA ASN 14 -7.210 0.529 3.138
116 HB2 ASN 14 1HB ASN 14 -4.299 1.257 3.589
117 HB3 ASN 14 2HB ASN 14 -5.637 2.391 3.474
118 HD21 ASN 14 1HD2 ASN 14 -4.670 1.571 7.030
119 HD22 ASN 14 2HD2 ASN 14 -3.727 1.924 5.625
120 HA PRO 15 HA PRO 15 -5.846 -0.074 -1.190
121 HB2 PRO 15 2HB PRO 15 -8.253 0.180 -2.343
122 HB3 PRO 15 1HB PRO 15 -7.815 -1.279 -1.446
123 HG2 PRO 15 2HG PRO 15 -9.456 1.070 -0.549
124 HG3 PRO 15 1HG PRO 15 -9.779 -0.662 -0.340
125 HD2 PRO 15 2HD PRO 15 -8.679 0.906 1.613
126 HD3 PRO 15 1HD PRO 15 -8.374 -0.837 1.468
127 H ASN 16 H ASN 16 -5.337 2.398 0.062
128 HA ASN 16 HA ASN 16 -6.660 4.505 -1.438
129 HB2 ASN 16 1HB ASN 16 -4.349 4.677 0.521
130 HB3 ASN 16 2HB ASN 16 -5.279 6.035 -0.107
131 HD21 ASN 16 1HD2 ASN 16 -7.956 5.618 2.106
132 HD22 ASN 16 2HD2 ASN 16 -7.356 6.405 0.687
133 H ASP 17 H ASP 17 -5.771 5.662 -3.110
134 HA ASP 17 HA ASP 17 -3.812 4.404 -4.704
135 HB2 ASP 17 1HB ASP 17 -5.515 5.843 -5.705
136 HB3 ASP 17 2HB ASP 17 -4.876 7.241 -4.844
137 H GLU 18 H GLU 18 -3.612 6.850 -2.251
138 HA GLU 18 HA GLU 18 -1.030 7.836 -2.736
139 HB2 GLU 18 1HB GLU 18 -2.337 7.408 -0.032
140 HB3 GLU 18 2HB GLU 18 -1.047 8.544 -0.410
141 HG2 GLU 18 1HG GLU 18 -3.872 8.660 -1.463
142 HG3 GLU 18 2HG GLU 18 -3.191 9.673 -0.191
143 H ILE 19 H ILE 19 -2.118 5.204 -0.622
144 HA ILE 19 HA ILE 19 0.460 4.324 0.137
145 HB ILE 19 HB ILE 19 -2.045 2.623 0.015
146 HG12 ILE 19 1HG1 ILE 19 -2.660 4.656 1.165
147 HG13 ILE 19 2HG1 ILE 19 -2.455 3.387 2.367
148 HG21 ILE 19 1HG2 ILE 19 0.385 2.502 1.810
149 HG22 ILE 19 2HG2 ILE 19 -0.001 1.390 0.496
150 HG23 ILE 19 3HG2 ILE 19 -1.031 1.452 1.923
151 HD11 ILE 19 1HD1 ILE 19 -0.248 4.281 2.925
152 HD12 ILE 19 2HD1 ILE 19 -1.520 5.482 3.139
153 HD13 ILE 19 3HD1 ILE 19 -0.466 5.558 1.726
154 H LYS 20 H LYS 20 -1.736 3.520 -2.466
155 HA LYS 20 HA LYS 20 -0.405 1.244 -3.453
156 HB2 LYS 20 1HB LYS 20 -2.748 1.816 -3.968
157 HB3 LYS 20 2HB LYS 20 -2.204 3.193 -4.913
158 HG2 LYS 20 1HG LYS 20 -1.214 1.779 -6.566
159 HG3 LYS 20 2HG LYS 20 -1.442 0.348 -5.559
160 HD2 LYS 20 1HD LYS 20 -3.106 0.464 -7.362
161 HD3 LYS 20 2HD LYS 20 -3.866 0.554 -5.771
162 HE2 LYS 20 1HE LYS 20 -4.887 2.153 -7.282
163 HE3 LYS 20 2HE LYS 20 -4.018 3.003 -6.004
164 HZ1 LYS 20 1HZ LYS 20 -3.032 2.548 -8.772
165 HZ2 LYS 20 2HZ LYS 20 -2.190 3.360 -7.549
166 HZ3 LYS 20 3HZ LYS 20 -3.626 4.009 -8.154
167 H LYS 21 H LYS 21 0.030 4.710 -4.092
168 HA LYS 21 HA LYS 21 1.919 4.184 -6.222
169 HB2 LYS 21 1HB LYS 21 2.214 6.556 -6.410
170 HB3 LYS 21 2HB LYS 21 0.499 6.223 -6.254
171 HG2 LYS 21 1HG LYS 21 0.458 7.019 -4.017
172 HG3 LYS 21 2HG LYS 21 2.219 7.076 -3.937
173 HD2 LYS 21 1HD LYS 21 1.318 9.318 -4.226
174 HD3 LYS 21 2HD LYS 21 2.232 8.840 -5.654
175 HE2 LYS 21 1HE LYS 21 0.204 9.958 -6.336
176 HE3 LYS 21 2HE LYS 21 0.106 8.255 -6.778
177 HZ1 LYS 21 1HZ LYS 21 -1.962 9.044 -5.818
178 HZ2 LYS 21 2HZ LYS 21 -1.164 9.501 -4.398
179 HZ3 LYS 21 3HZ LYS 21 -1.265 7.869 -4.828
180 H LYS 22 H LYS 22 2.043 4.957 -2.773
181 HA LYS 22 HA LYS 22 4.824 5.366 -2.588
182 HB2 LYS 22 1HB LYS 22 3.289 5.840 -0.718
183 HB3 LYS 22 2HB LYS 22 2.972 4.119 -0.534
184 HG2 LYS 22 1HG LYS 22 5.260 3.718 0.139
185 HG3 LYS 22 2HG LYS 22 5.688 5.398 -0.185
186 HD2 LYS 22 1HD LYS 22 4.188 6.140 1.593
187 HD3 LYS 22 2HD LYS 22 3.688 4.477 1.887
188 HE2 LYS 22 1HE LYS 22 6.528 5.463 2.192
189 HE3 LYS 22 2HE LYS 22 5.371 5.372 3.518
190 HZ1 LYS 22 1HZ LYS 22 6.468 3.116 1.930
191 HZ2 LYS 22 2HZ LYS 22 5.173 2.954 3.001
192 HZ3 LYS 22 3HZ LYS 22 6.690 3.416 3.578
193 H LEU 23 H LEU 23 2.874 2.413 -2.567
194 HA LEU 23 HA LEU 23 4.944 0.552 -2.187
195 HB2 LEU 23 1HB LEU 23 2.318 0.281 -2.347
196 HB3 LEU 23 2HB LEU 23 2.648 -0.026 -4.039
197 HG LEU 23 HG LEU 23 3.777 -1.626 -1.723
198 HD11 LEU 23 1HD1 LEU 23 1.370 -1.946 -1.964
199 HD12 LEU 23 2HD1 LEU 23 2.252 -3.391 -2.448
200 HD13 LEU 23 3HD1 LEU 23 1.578 -2.317 -3.674
201 HD21 LEU 23 1HD2 LEU 23 4.504 -3.218 -3.438
202 HD22 LEU 23 2HD2 LEU 23 5.270 -1.644 -3.656
203 HD23 LEU 23 3HD2 LEU 23 3.931 -2.125 -4.701
204 H GLU 24 H GLU 24 3.513 1.881 -5.131
205 HA GLU 24 HA GLU 24 5.117 0.663 -7.050
206 HB2 GLU 24 1HB GLU 24 3.034 2.004 -7.435
207 HB3 GLU 24 2HB GLU 24 3.966 3.464 -7.145
208 HG2 GLU 24 1HG GLU 24 5.361 2.969 -9.090
209 HG3 GLU 24 2HG GLU 24 4.448 1.485 -9.369
210 H LYS 25 H LYS 25 5.680 3.506 -5.067
211 HA LYS 25 HA LYS 25 8.066 4.387 -6.318
212 HB2 LYS 25 1HB LYS 25 6.714 5.802 -4.813
213 HB3 LYS 25 2HB LYS 25 7.112 4.751 -3.463
214 HG2 LYS 25 1HG LYS 25 8.454 6.742 -3.359
215 HG3 LYS 25 2HG LYS 25 9.489 5.358 -3.720
216 HD2 LYS 25 1HD LYS 25 9.553 5.978 -6.070
217 HD3 LYS 25 2HD LYS 25 8.421 7.301 -5.777
218 HE2 LYS 25 1HE LYS 25 11.187 7.064 -4.576
219 HE3 LYS 25 2HE LYS 25 10.751 8.086 -5.946
220 HZ1 LYS 25 1HZ LYS 25 10.808 9.352 -3.900
221 HZ2 LYS 25 2HZ LYS 25 9.670 8.327 -3.190
222 HZ3 LYS 25 3HZ LYS 25 9.230 9.296 -4.500
223 H CYS 26 H CYS 26 7.389 2.251 -3.574
224 HA CYS 26 HA CYS 26 10.085 1.742 -2.867
225 HB2 CYS 26 2HB CYS 26 7.961 1.330 -1.476
226 HB3 CYS 26 1HB CYS 26 7.773 -0.156 -2.399
227 H GLN 27 H GLN 27 8.001 0.523 -5.342
228 HA GLN 27 HA GLN 27 9.567 -1.824 -5.946
229 HB2 GLN 27 1HB GLN 27 7.384 -0.422 -7.510
230 HB3 GLN 27 2HB GLN 27 8.114 -1.954 -7.972
231 HG2 GLN 27 1HG GLN 27 6.582 -1.453 -5.428
232 HG3 GLN 27 2HG GLN 27 5.941 -2.233 -6.872
233 HE21 GLN 27 1HE2 GLN 27 7.436 -5.337 -6.247
234 HE22 GLN 27 2HE2 GLN 27 6.613 -4.325 -7.387
235 H ALA 28 H ALA 28 10.367 1.280 -6.211
236 HA ALA 28 HA ALA 28 12.168 0.738 -8.454
237 HB1 ALA 28 1HB ALA 28 10.575 3.299 -8.158
238 HB2 ALA 28 2HB ALA 28 10.305 2.056 -9.380
239 HB3 ALA 28 3HB ALA 28 11.806 2.979 -9.383
Start of MODEL 6
1 H1 ALA 1 1H ALA 1 13.616 0.264 -0.474
2 H2 ALA 1 2H ALA 1 12.046 -0.325 -0.255
3 H3 ALA 1 3H ALA 1 13.343 -1.403 -0.391
4 HA ALA 1 HA ALA 1 14.288 -0.560 1.659
5 HB1 ALA 1 1HB ALA 1 13.344 1.699 1.503
6 HB2 ALA 1 2HB ALA 1 12.986 0.951 3.058
7 HB3 ALA 1 3HB ALA 1 11.737 1.045 1.818
8 H GLU 2 H GLU 2 13.456 -1.286 3.830
9 HA GLU 2 HA GLU 2 12.238 -3.823 3.565
10 HB2 GLU 2 1HB GLU 2 12.761 -2.127 6.015
11 HB3 GLU 2 2HB GLU 2 12.224 -3.801 6.069
12 HG2 GLU 2 1HG GLU 2 14.809 -2.803 4.884
13 HG3 GLU 2 2HG GLU 2 14.620 -3.632 6.429
14 H ASP 3 H ASP 3 10.988 -0.662 4.272
15 HA ASP 3 HA ASP 3 8.563 -1.463 5.487
16 HB2 ASP 3 1HB ASP 3 9.643 0.823 5.614
17 HB3 ASP 3 2HB ASP 3 9.056 1.112 3.981
18 H CYS 4 H CYS 4 9.598 -1.712 2.271
19 HA CYS 4 HA CYS 4 7.374 -1.155 0.721
20 HB2 CYS 4 2HB CYS 4 9.379 -3.405 0.414
21 HB3 CYS 4 1HB CYS 4 8.213 -2.951 -0.823
22 H GLU 5 H GLU 5 8.186 -4.284 2.230
23 HA GLU 5 HA GLU 5 5.860 -5.650 1.499
24 HB2 GLU 5 1HB GLU 5 7.968 -6.643 2.457
25 HB3 GLU 5 2HB GLU 5 7.464 -6.060 4.038
26 HG2 GLU 5 1HG GLU 5 5.553 -7.504 4.033
27 HG3 GLU 5 2HG GLU 5 5.844 -7.967 2.357
28 H ARG 6 H ARG 6 6.598 -3.626 4.265
29 HA ARG 6 HA ARG 6 4.265 -4.043 5.775
30 HB2 ARG 6 1HB ARG 6 6.412 -2.968 6.557
31 HB3 ARG 6 2HB ARG 6 5.966 -1.533 5.652
32 HG2 ARG 6 1HG ARG 6 4.083 -2.607 7.712
33 HG3 ARG 6 2HG ARG 6 5.502 -1.694 8.220
34 HD2 ARG 6 1HD ARG 6 4.802 0.212 6.908
35 HD3 ARG 6 2HD ARG 6 3.446 -0.702 6.247
36 HE ARG 6 HE ARG 6 3.215 -0.727 9.031
37 HH11 ARG 6 1HH1 ARG 6 3.133 1.615 6.435
38 HH12 ARG 6 2HH1 ARG 6 1.965 2.627 7.220
39 HH21 ARG 6 1HH2 ARG 6 1.663 0.593 10.057
40 HH22 ARG 6 2HH2 ARG 6 1.119 2.044 9.271
41 H ILE 7 H ILE 7 5.064 -1.700 3.244
42 HA ILE 7 HA ILE 7 2.683 -0.196 3.336
43 HB ILE 7 HB ILE 7 4.546 -0.677 0.996
44 HG12 ILE 7 1HG1 ILE 7 4.415 1.624 2.965
45 HG13 ILE 7 2HG1 ILE 7 5.639 0.360 2.957
46 HG21 ILE 7 1HG2 ILE 7 2.370 0.107 0.239
47 HG22 ILE 7 2HG2 ILE 7 3.588 1.364 0.040
48 HG23 ILE 7 3HG2 ILE 7 2.443 1.452 1.378
49 HD11 ILE 7 1HD1 ILE 7 5.167 2.365 0.760
50 HD12 ILE 7 2HD1 ILE 7 6.413 1.114 0.772
51 HD13 ILE 7 3HD1 ILE 7 6.458 2.419 1.959
52 H ARG 8 H ARG 8 3.640 -3.052 1.446
53 HA ARG 8 HA ARG 8 1.284 -3.248 -0.088
54 HB2 ARG 8 1HB ARG 8 3.557 -4.550 -0.264
55 HB3 ARG 8 2HB ARG 8 2.784 -5.702 0.815
56 HG2 ARG 8 1HG ARG 8 1.364 -4.837 -1.675
57 HG3 ARG 8 2HG ARG 8 2.670 -6.017 -1.788
58 HD2 ARG 8 1HD ARG 8 0.361 -6.368 0.114
59 HD3 ARG 8 2HD ARG 8 0.279 -6.903 -1.563
60 HE ARG 8 HE ARG 8 2.592 -7.862 -0.123
61 HH11 ARG 8 1HH1 ARG 8 -0.757 -8.503 -0.927
62 HH12 ARG 8 2HH1 ARG 8 -0.615 -10.215 -0.692
63 HH21 ARG 8 1HH2 ARG 8 2.797 -10.119 0.114
64 HH22 ARG 8 2HH2 ARG 8 1.412 -11.134 -0.122
65 H LYS 9 H LYS 9 2.144 -4.464 3.133
66 HA LYS 9 HA LYS 9 -0.217 -5.863 3.698
67 HB2 LYS 9 1HB LYS 9 1.343 -4.178 5.679
68 HB3 LYS 9 2HB LYS 9 0.247 -5.492 6.066
69 HG2 LYS 9 1HG LYS 9 2.915 -5.715 4.687
70 HG3 LYS 9 2HG LYS 9 2.531 -6.206 6.334
71 HD2 LYS 9 1HD LYS 9 0.912 -7.855 5.403
72 HD3 LYS 9 2HD LYS 9 1.459 -7.417 3.781
73 HE2 LYS 9 1HE LYS 9 3.777 -8.058 4.470
74 HE3 LYS 9 2HE LYS 9 3.109 -8.646 5.993
75 HZ1 LYS 9 1HZ LYS 9 2.517 -9.663 3.273
76 HZ2 LYS 9 2HZ LYS 9 1.696 -10.158 4.660
77 HZ3 LYS 9 3HZ LYS 9 3.349 -10.473 4.505
78 H GLU 10 H GLU 10 0.609 -2.438 4.186
79 HA GLU 10 HA GLU 10 -1.818 -1.545 5.215
80 HB2 GLU 10 1HB GLU 10 0.133 -0.105 3.402
81 HB3 GLU 10 2HB GLU 10 -1.204 0.680 4.232
82 HG2 GLU 10 1HG GLU 10 1.124 -0.722 5.530
83 HG3 GLU 10 2HG GLU 10 0.871 1.021 5.430
84 H LEU 11 H LEU 11 -0.860 -2.152 1.873
85 HA LEU 11 HA LEU 11 -3.213 -1.112 0.675
86 HB2 LEU 11 1HB LEU 11 -1.199 -3.149 -0.277
87 HB3 LEU 11 2HB LEU 11 -2.552 -2.623 -1.264
88 HG LEU 11 HG LEU 11 -0.328 -0.856 -0.224
89 HD11 LEU 11 1HD1 LEU 11 -0.933 -1.850 -3.009
90 HD12 LEU 11 2HD1 LEU 11 0.437 -2.318 -2.002
91 HD13 LEU 11 3HD1 LEU 11 0.303 -0.661 -2.592
92 HD21 LEU 11 1HD2 LEU 11 -2.436 0.363 -0.348
93 HD22 LEU 11 2HD2 LEU 11 -2.677 -0.190 -2.007
94 HD23 LEU 11 3HD2 LEU 11 -1.337 0.892 -1.622
95 H GLU 12 H GLU 12 -2.338 -4.320 1.897
96 HA GLU 12 HA GLU 12 -4.595 -5.739 1.104
97 HB2 GLU 12 1HB GLU 12 -2.640 -6.792 2.154
98 HB3 GLU 12 2HB GLU 12 -3.016 -5.994 3.676
99 HG2 GLU 12 1HG GLU 12 -5.253 -7.203 3.571
100 HG3 GLU 12 2HG GLU 12 -4.532 -8.180 2.296
101 H LYS 13 H LYS 13 -4.074 -3.820 4.072
102 HA LYS 13 HA LYS 13 -6.700 -4.381 5.098
103 HB2 LYS 13 1HB LYS 13 -4.545 -2.445 5.968
104 HB3 LYS 13 2HB LYS 13 -6.103 -2.540 6.772
105 HG2 LYS 13 1HG LYS 13 -4.586 -3.818 8.059
106 HG3 LYS 13 2HG LYS 13 -5.627 -4.966 7.220
107 HD2 LYS 13 1HD LYS 13 -3.907 -5.465 5.626
108 HD3 LYS 13 2HD LYS 13 -2.891 -4.158 6.235
109 HE2 LYS 13 1HE LYS 13 -2.065 -6.278 7.054
110 HE3 LYS 13 2HE LYS 13 -2.710 -5.335 8.396
111 HZ1 LYS 13 1HZ LYS 13 -4.731 -6.654 8.289
112 HZ2 LYS 13 2HZ LYS 13 -3.382 -7.640 8.530
113 HZ3 LYS 13 3HZ LYS 13 -4.102 -7.555 7.006
114 H ASN 14 H ASN 14 -5.163 -1.564 3.594
115 HA ASN 14 HA ASN 14 -7.813 -0.437 3.022
116 HB2 ASN 14 1HB ASN 14 -5.513 1.146 4.209
117 HB3 ASN 14 2HB ASN 14 -7.059 1.811 3.696
118 HD21 ASN 14 1HD2 ASN 14 -8.770 0.913 6.605
119 HD22 ASN 14 2HD2 ASN 14 -8.886 1.459 4.967
120 HA PRO 15 HA PRO 15 -5.340 -0.352 -0.819
121 HB2 PRO 15 2HB PRO 15 -7.474 -0.168 -2.504
122 HB3 PRO 15 1HB PRO 15 -6.928 -1.698 -1.805
123 HG2 PRO 15 2HG PRO 15 -9.167 0.098 -0.925
124 HG3 PRO 15 1HG PRO 15 -9.145 -1.670 -1.077
125 HD2 PRO 15 2HD PRO 15 -8.853 -0.425 1.306
126 HD3 PRO 15 1HD PRO 15 -8.041 -1.960 0.933
127 H ASN 16 H ASN 16 -4.762 1.813 0.189
128 HA ASN 16 HA ASN 16 -6.248 4.104 -0.819
129 HB2 ASN 16 1HB ASN 16 -3.778 3.856 0.912
130 HB3 ASN 16 2HB ASN 16 -4.382 5.405 0.342
131 HD21 ASN 16 1HD2 ASN 16 -6.172 3.467 3.413
132 HD22 ASN 16 2HD2 ASN 16 -4.923 2.723 2.473
133 H ASP 17 H ASP 17 -5.639 5.386 -2.479
134 HA ASP 17 HA ASP 17 -3.778 4.475 -4.407
135 HB2 ASP 17 1HB ASP 17 -5.198 7.121 -4.038
136 HB3 ASP 17 2HB ASP 17 -4.144 6.789 -5.409
137 H GLU 18 H GLU 18 -3.613 6.799 -1.790
138 HA GLU 18 HA GLU 18 -1.159 8.017 -2.389
139 HB2 GLU 18 1HB GLU 18 -3.028 8.198 -0.351
140 HB3 GLU 18 2HB GLU 18 -1.639 7.520 0.480
141 HG2 GLU 18 1HG GLU 18 -1.833 10.140 -0.982
142 HG3 GLU 18 2HG GLU 18 -1.515 9.863 0.729
143 H ILE 19 H ILE 19 -1.830 5.342 -0.155
144 HA ILE 19 HA ILE 19 0.822 4.622 0.384
145 HB ILE 19 HB ILE 19 -1.789 3.117 0.575
146 HG12 ILE 19 1HG1 ILE 19 -1.342 3.265 3.009
147 HG13 ILE 19 2HG1 ILE 19 0.148 4.139 2.679
148 HG21 ILE 19 1HG2 ILE 19 -0.099 1.436 0.081
149 HG22 ILE 19 2HG2 ILE 19 -0.643 1.303 1.751
150 HG23 ILE 19 3HG2 ILE 19 0.912 2.049 1.386
151 HD11 ILE 19 1HD1 ILE 19 -2.639 5.087 2.047
152 HD12 ILE 19 2HD1 ILE 19 -1.149 5.973 1.719
153 HD13 ILE 19 3HD1 ILE 19 -1.625 5.630 3.381
154 H LYS 20 H LYS 20 -1.421 3.564 -2.120
155 HA LYS 20 HA LYS 20 0.070 1.488 -3.247
156 HB2 LYS 20 1HB LYS 20 -2.255 1.859 -3.828
157 HB3 LYS 20 2HB LYS 20 -1.876 3.434 -4.506
158 HG2 LYS 20 1HG LYS 20 -0.657 2.405 -6.331
159 HG3 LYS 20 2HG LYS 20 -0.890 0.805 -5.618
160 HD2 LYS 20 1HD LYS 20 -2.474 1.230 -7.457
161 HD3 LYS 20 2HD LYS 20 -3.302 0.992 -5.918
162 HE2 LYS 20 1HE LYS 20 -3.447 3.473 -5.684
163 HE3 LYS 20 2HE LYS 20 -2.757 3.623 -7.299
164 HZ1 LYS 20 1HZ LYS 20 -5.309 2.267 -6.621
165 HZ2 LYS 20 2HZ LYS 20 -4.654 2.398 -8.173
166 HZ3 LYS 20 3HZ LYS 20 -5.163 3.788 -7.351
167 H LYS 21 H LYS 21 0.061 4.961 -3.967
168 HA LYS 21 HA LYS 21 1.963 4.888 -6.049
169 HB2 LYS 21 1HB LYS 21 0.456 6.818 -5.555
170 HB3 LYS 21 2HB LYS 21 1.394 7.147 -4.106
171 HG2 LYS 21 1HG LYS 21 2.079 8.664 -5.826
172 HG3 LYS 21 2HG LYS 21 3.391 7.523 -5.532
173 HD2 LYS 21 1HD LYS 21 3.113 7.890 -7.923
174 HD3 LYS 21 2HD LYS 21 2.690 6.227 -7.512
175 HE2 LYS 21 1HE LYS 21 1.076 7.158 -9.087
176 HE3 LYS 21 2HE LYS 21 0.305 6.839 -7.535
177 HZ1 LYS 21 1HZ LYS 21 1.232 9.487 -8.505
178 HZ2 LYS 21 2HZ LYS 21 0.531 9.193 -6.998
179 HZ3 LYS 21 3HZ LYS 21 -0.376 8.972 -8.404
180 H LYS 22 H LYS 22 2.259 5.376 -2.550
181 HA LYS 22 HA LYS 22 5.053 5.782 -2.492
182 HB2 LYS 22 1HB LYS 22 3.159 4.735 -0.378
183 HB3 LYS 22 2HB LYS 22 4.840 5.141 -0.067
184 HG2 LYS 22 1HG LYS 22 2.706 7.055 -1.020
185 HG3 LYS 22 2HG LYS 22 3.341 6.937 0.624
186 HD2 LYS 22 1HD LYS 22 5.588 7.524 -0.227
187 HD3 LYS 22 2HD LYS 22 4.915 7.694 -1.848
188 HE2 LYS 22 1HE LYS 22 4.132 9.327 0.573
189 HE3 LYS 22 2HE LYS 22 5.183 9.866 -0.736
190 HZ1 LYS 22 1HZ LYS 22 2.298 9.209 -0.907
191 HZ2 LYS 22 2HZ LYS 22 3.275 9.483 -2.258
192 HZ3 LYS 22 3HZ LYS 22 3.027 10.717 -1.139
193 H LEU 23 H LEU 23 3.098 2.873 -2.547
194 HA LEU 23 HA LEU 23 4.990 1.011 -1.669
195 HB2 LEU 23 1HB LEU 23 2.545 0.614 -1.947
196 HB3 LEU 23 2HB LEU 23 2.766 0.595 -3.682
197 HG LEU 23 HG LEU 23 2.536 -1.652 -2.420
198 HD11 LEU 23 1HD1 LEU 23 4.825 -1.283 -4.346
199 HD12 LEU 23 2HD1 LEU 23 3.126 -1.504 -4.776
200 HD13 LEU 23 3HD1 LEU 23 4.007 -2.802 -3.969
201 HD21 LEU 23 1HD2 LEU 23 4.640 -2.612 -1.608
202 HD22 LEU 23 2HD2 LEU 23 4.139 -1.219 -0.651
203 HD23 LEU 23 3HD2 LEU 23 5.437 -1.054 -1.833
204 H GLU 24 H GLU 24 4.380 2.362 -4.872
205 HA GLU 24 HA GLU 24 6.230 0.599 -6.190
206 HB2 GLU 24 1HB GLU 24 4.962 3.161 -7.192
207 HB3 GLU 24 2HB GLU 24 5.785 1.958 -8.179
208 HG2 GLU 24 1HG GLU 24 4.069 0.295 -7.489
209 HG3 GLU 24 2HG GLU 24 3.216 1.587 -6.646
210 H LYS 25 H LYS 25 6.509 3.562 -4.472
211 HA LYS 25 HA LYS 25 9.207 4.005 -5.595
212 HB2 LYS 25 1HB LYS 25 7.522 5.856 -5.920
213 HB3 LYS 25 2HB LYS 25 7.474 6.042 -4.170
214 HG2 LYS 25 1HG LYS 25 9.876 6.573 -4.175
215 HG3 LYS 25 2HG LYS 25 9.898 6.416 -5.932
216 HD2 LYS 25 1HD LYS 25 8.306 8.269 -6.122
217 HD3 LYS 25 2HD LYS 25 8.247 8.404 -4.361
218 HE2 LYS 25 1HE LYS 25 9.722 10.098 -5.289
219 HE3 LYS 25 2HE LYS 25 10.643 8.941 -4.328
220 HZ1 LYS 25 1HZ LYS 25 10.434 8.942 -7.291
221 HZ2 LYS 25 2HZ LYS 25 11.332 7.849 -6.367
222 HZ3 LYS 25 3HZ LYS 25 11.767 9.481 -6.397
223 H CYS 26 H CYS 26 8.363 2.160 -3.424
224 HA CYS 26 HA CYS 26 9.244 3.323 -0.937
225 HB2 CYS 26 2HB CYS 26 8.851 1.127 0.002
226 HB3 CYS 26 1HB CYS 26 7.521 1.521 -1.085
227 H GLN 27 H GLN 27 11.169 3.455 -3.091
228 HA GLN 27 HA GLN 27 13.151 1.521 -3.090
229 HB2 GLN 27 1HB GLN 27 14.658 3.357 -3.858
230 HB3 GLN 27 2HB GLN 27 13.129 3.298 -4.727
231 HG2 GLN 27 1HG GLN 27 12.283 5.126 -3.274
232 HG3 GLN 27 2HG GLN 27 13.877 5.224 -2.529
233 HE21 GLN 27 1HE2 GLN 27 14.488 7.765 -4.839
234 HE22 GLN 27 2HE2 GLN 27 14.175 7.341 -3.192
235 H ALA 28 H ALA 28 12.796 4.362 -1.021
236 HA ALA 28 HA ALA 28 14.378 3.099 1.059
237 HB1 ALA 28 1HB ALA 28 15.118 5.811 -0.068
238 HB2 ALA 28 2HB ALA 28 16.063 4.332 -0.234
239 HB3 ALA 28 3HB ALA 28 15.833 5.058 1.356
Start of MODEL 7
1 H1 ALA 1 1H ALA 1 9.183 7.236 6.047
2 H2 ALA 1 2H ALA 1 10.548 8.194 5.755
3 H3 ALA 1 3H ALA 1 10.496 7.185 7.110
4 HA ALA 1 HA ALA 1 10.456 6.254 4.304
5 HB1 ALA 1 1HB ALA 1 12.728 6.228 6.299
6 HB2 ALA 1 2HB ALA 1 12.610 7.272 4.881
7 HB3 ALA 1 3HB ALA 1 12.759 5.524 4.683
8 H GLU 2 H GLU 2 9.084 4.577 4.420
9 HA GLU 2 HA GLU 2 9.423 2.636 6.615
10 HB2 GLU 2 1HB GLU 2 7.070 1.891 5.980
11 HB3 GLU 2 2HB GLU 2 7.209 3.448 6.778
12 HG2 GLU 2 1HG GLU 2 7.042 3.206 3.786
13 HG3 GLU 2 2HG GLU 2 5.605 3.256 4.804
14 H ASP 3 H ASP 3 8.743 0.361 5.921
15 HA ASP 3 HA ASP 3 10.454 -0.314 3.667
16 HB2 ASP 3 1HB ASP 3 10.619 -1.532 5.837
17 HB3 ASP 3 2HB ASP 3 8.989 -2.143 5.591
18 H CYS 4 H CYS 4 9.816 -1.610 1.908
19 HA CYS 4 HA CYS 4 7.388 -0.820 0.752
20 HB2 CYS 4 2HB CYS 4 9.240 -3.057 -0.098
21 HB3 CYS 4 1HB CYS 4 7.984 -2.329 -1.098
22 H GLU 5 H GLU 5 8.289 -3.869 2.358
23 HA GLU 5 HA GLU 5 5.884 -5.234 1.676
24 HB2 GLU 5 1HB GLU 5 7.916 -6.427 2.449
25 HB3 GLU 5 2HB GLU 5 7.710 -5.724 4.050
26 HG2 GLU 5 1HG GLU 5 5.490 -6.847 4.195
27 HG3 GLU 5 2HG GLU 5 5.836 -7.640 2.660
28 H ARG 6 H ARG 6 6.817 -3.054 4.228
29 HA ARG 6 HA ARG 6 4.546 -3.397 5.888
30 HB2 ARG 6 1HB ARG 6 6.384 -1.009 5.541
31 HB3 ARG 6 2HB ARG 6 5.215 -1.193 6.842
32 HG2 ARG 6 1HG ARG 6 7.552 -3.033 6.328
33 HG3 ARG 6 2HG ARG 6 7.499 -1.755 7.545
34 HD2 ARG 6 1HD ARG 6 5.607 -4.107 7.434
35 HD3 ARG 6 2HD ARG 6 7.034 -4.014 8.464
36 HE ARG 6 HE ARG 6 5.966 -2.067 9.539
37 HH11 ARG 6 1HH1 ARG 6 3.946 -4.354 7.822
38 HH12 ARG 6 2HH1 ARG 6 2.520 -3.960 8.727
39 HH21 ARG 6 1HH2 ARG 6 4.099 -1.557 10.730
40 HH22 ARG 6 2HH2 ARG 6 2.610 -2.385 10.388
41 H ILE 7 H ILE 7 5.340 -1.014 3.365
42 HA ILE 7 HA ILE 7 2.880 0.313 3.265
43 HB ILE 7 HB ILE 7 4.730 -0.245 0.926
44 HG12 ILE 7 1HG1 ILE 7 4.713 2.111 2.838
45 HG13 ILE 7 2HG1 ILE 7 5.895 0.806 2.853
46 HG21 ILE 7 1HG2 ILE 7 2.531 0.575 0.231
47 HG22 ILE 7 2HG2 ILE 7 3.768 1.802 -0.035
48 HG23 ILE 7 3HG2 ILE 7 2.677 1.937 1.343
49 HD11 ILE 7 1HD1 ILE 7 6.772 2.793 1.768
50 HD12 ILE 7 2HD1 ILE 7 5.451 2.756 0.603
51 HD13 ILE 7 3HD1 ILE 7 6.644 1.457 0.625
52 H ARG 8 H ARG 8 3.986 -2.677 1.785
53 HA ARG 8 HA ARG 8 1.820 -3.242 0.119
54 HB2 ARG 8 1HB ARG 8 3.953 -4.545 0.197
55 HB3 ARG 8 2HB ARG 8 3.447 -5.226 1.734
56 HG2 ARG 8 1HG ARG 8 1.453 -6.183 0.576
57 HG3 ARG 8 2HG ARG 8 2.138 -5.633 -0.952
58 HD2 ARG 8 1HD ARG 8 3.422 -7.570 0.976
59 HD3 ARG 8 2HD ARG 8 2.631 -7.996 -0.539
60 HE ARG 8 HE ARG 8 4.690 -6.122 -1.026
61 HH11 ARG 8 1HH1 ARG 8 4.240 -9.481 -0.116
62 HH12 ARG 8 2HH1 ARG 8 5.719 -10.010 -0.861
63 HH21 ARG 8 1HH2 ARG 8 6.647 -6.821 -1.980
64 HH22 ARG 8 2HH2 ARG 8 7.077 -8.501 -1.923
65 H LYS 9 H LYS 9 2.393 -4.136 3.507
66 HA LYS 9 HA LYS 9 -0.059 -5.417 3.970
67 HB2 LYS 9 1HB LYS 9 1.694 -3.914 5.926
68 HB3 LYS 9 2HB LYS 9 0.389 -5.000 6.372
69 HG2 LYS 9 1HG LYS 9 2.817 -5.851 4.797
70 HG3 LYS 9 2HG LYS 9 2.687 -5.968 6.550
71 HD2 LYS 9 1HD LYS 9 2.116 -8.113 5.825
72 HD3 LYS 9 2HD LYS 9 0.553 -7.352 6.092
73 HE2 LYS 9 1HE LYS 9 0.382 -6.899 3.673
74 HE3 LYS 9 2HE LYS 9 1.935 -7.691 3.424
75 HZ1 LYS 9 1HZ LYS 9 0.970 -9.743 4.267
76 HZ2 LYS 9 2HZ LYS 9 0.102 -9.173 2.935
77 HZ3 LYS 9 3HZ LYS 9 -0.518 -8.976 4.494
78 H GLU 10 H GLU 10 0.867 -2.014 4.165
79 HA GLU 10 HA GLU 10 -1.594 -1.077 5.209
80 HB2 GLU 10 1HB GLU 10 0.394 0.366 3.440
81 HB3 GLU 10 2HB GLU 10 -0.914 1.134 4.330
82 HG2 GLU 10 1HG GLU 10 1.488 -0.277 5.475
83 HG3 GLU 10 2HG GLU 10 1.138 1.448 5.523
84 H LEU 11 H LEU 11 -0.518 -1.794 1.929
85 HA LEU 11 HA LEU 11 -2.831 -0.589 0.699
86 HB2 LEU 11 1HB LEU 11 -0.553 -0.763 -0.370
87 HB3 LEU 11 2HB LEU 11 -0.838 -2.484 -0.556
88 HG LEU 11 HG LEU 11 -2.770 -2.008 -2.016
89 HD11 LEU 11 1HD1 LEU 11 -3.177 0.273 -2.813
90 HD12 LEU 11 2HD1 LEU 11 -1.964 0.883 -1.685
91 HD13 LEU 11 3HD1 LEU 11 -3.442 0.136 -1.075
92 HD21 LEU 11 1HD2 LEU 11 -1.509 -1.170 -3.946
93 HD22 LEU 11 2HD2 LEU 11 -0.575 -2.350 -3.026
94 HD23 LEU 11 3HD2 LEU 11 -0.220 -0.627 -2.871
95 H GLU 12 H GLU 12 -1.908 -3.765 1.799
96 HA GLU 12 HA GLU 12 -4.060 -5.168 0.523
97 HB2 GLU 12 1HB GLU 12 -2.323 -5.913 2.894
98 HB3 GLU 12 2HB GLU 12 -3.464 -7.001 2.116
99 HG2 GLU 12 1HG GLU 12 -1.053 -5.757 0.804
100 HG3 GLU 12 2HG GLU 12 -1.155 -7.406 1.413
101 H LYS 13 H LYS 13 -3.500 -3.653 3.629
102 HA LYS 13 HA LYS 13 -5.992 -4.522 4.796
103 HB2 LYS 13 1HB LYS 13 -3.989 -4.264 6.165
104 HB3 LYS 13 2HB LYS 13 -3.864 -2.574 5.722
105 HG2 LYS 13 1HG LYS 13 -6.298 -3.566 7.157
106 HG3 LYS 13 2HG LYS 13 -4.807 -3.252 8.045
107 HD2 LYS 13 1HD LYS 13 -4.831 -0.937 6.989
108 HD3 LYS 13 2HD LYS 13 -6.474 -1.300 6.455
109 HE2 LYS 13 1HE LYS 13 -6.559 -0.053 8.521
110 HE3 LYS 13 2HE LYS 13 -7.109 -1.701 8.818
111 HZ1 LYS 13 1HZ LYS 13 -4.407 -0.626 9.429
112 HZ2 LYS 13 2HZ LYS 13 -4.903 -2.222 9.688
113 HZ3 LYS 13 3HZ LYS 13 -5.621 -0.965 10.558
114 H ASN 14 H ASN 14 -4.703 -1.607 3.311
115 HA ASN 14 HA ASN 14 -7.405 -0.462 3.253
116 HB2 ASN 14 1HB ASN 14 -6.288 0.593 5.151
117 HB3 ASN 14 2HB ASN 14 -4.904 1.006 4.145
118 HD21 ASN 14 1HD2 ASN 14 -6.394 4.160 3.929
119 HD22 ASN 14 2HD2 ASN 14 -5.130 3.194 4.612
120 HA PRO 15 HA PRO 15 -5.623 -0.244 -0.995
121 HB2 PRO 15 2HB PRO 15 -8.525 -0.260 -1.617
122 HB3 PRO 15 1HB PRO 15 -7.230 -1.259 -2.284
123 HG2 PRO 15 2HG PRO 15 -9.031 -2.280 -0.586
124 HG3 PRO 15 1HG PRO 15 -7.331 -2.790 -0.543
125 HD2 PRO 15 2HD PRO 15 -8.785 -0.874 1.253
126 HD3 PRO 15 1HD PRO 15 -7.590 -2.123 1.668
127 H ASN 16 H ASN 16 -4.930 1.859 -0.969
128 HA ASN 16 HA ASN 16 -6.930 3.936 -1.475
129 HB2 ASN 16 1HB ASN 16 -6.439 3.951 0.974
130 HB3 ASN 16 2HB ASN 16 -4.740 4.228 0.603
131 HD21 ASN 16 1HD2 ASN 16 -7.463 7.229 0.355
132 HD22 ASN 16 2HD2 ASN 16 -7.945 5.576 0.545
133 H ASP 17 H ASP 17 -6.201 5.649 -2.690
134 HA ASP 17 HA ASP 17 -4.369 5.202 -4.686
135 HB2 ASP 17 1HB ASP 17 -6.082 6.965 -4.776
136 HB3 ASP 17 2HB ASP 17 -5.217 7.884 -3.549
137 H GLU 18 H GLU 18 -3.864 7.095 -1.720
138 HA GLU 18 HA GLU 18 -1.307 8.029 -2.197
139 HB2 GLU 18 1HB GLU 18 -2.688 8.761 -0.306
140 HB3 GLU 18 2HB GLU 18 -2.520 7.180 0.444
141 HG2 GLU 18 1HG GLU 18 -0.057 7.578 0.567
142 HG3 GLU 18 2HG GLU 18 -0.347 9.219 -0.012
143 H ILE 19 H ILE 19 -2.210 5.091 -0.410
144 HA ILE 19 HA ILE 19 0.448 4.240 0.039
145 HB ILE 19 HB ILE 19 -2.132 2.650 0.143
146 HG12 ILE 19 1HG1 ILE 19 -1.718 2.848 2.654
147 HG13 ILE 19 2HG1 ILE 19 -0.489 4.048 2.277
148 HG21 ILE 19 1HG2 ILE 19 -0.856 0.992 1.443
149 HG22 ILE 19 2HG2 ILE 19 0.622 1.907 1.141
150 HG23 ILE 19 3HG2 ILE 19 -0.240 1.158 -0.203
151 HD11 ILE 19 1HD1 ILE 19 -2.183 5.482 1.277
152 HD12 ILE 19 2HD1 ILE 19 -2.594 5.074 2.943
153 HD13 ILE 19 3HD1 ILE 19 -3.419 4.268 1.609
154 H LYS 20 H LYS 20 -1.882 3.650 -2.513
155 HA LYS 20 HA LYS 20 -0.655 1.478 -3.785
156 HB2 LYS 20 1HB LYS 20 -2.909 2.211 -4.370
157 HB3 LYS 20 2HB LYS 20 -2.287 3.739 -4.979
158 HG2 LYS 20 1HG LYS 20 -2.836 2.236 -6.806
159 HG3 LYS 20 2HG LYS 20 -1.101 2.551 -6.761
160 HD2 LYS 20 1HD LYS 20 -0.731 0.403 -5.641
161 HD3 LYS 20 2HD LYS 20 -2.469 0.090 -5.660
162 HE2 LYS 20 1HE LYS 20 -0.684 0.413 -8.077
163 HE3 LYS 20 2HE LYS 20 -1.341 -1.105 -7.467
164 HZ1 LYS 20 1HZ LYS 20 -2.876 1.163 -8.611
165 HZ2 LYS 20 2HZ LYS 20 -3.585 -0.189 -7.886
166 HZ3 LYS 20 3HZ LYS 20 -2.662 -0.370 -9.291
167 H LYS 21 H LYS 21 -0.388 4.950 -4.554
168 HA LYS 21 HA LYS 21 1.714 4.620 -6.435
169 HB2 LYS 21 1HB LYS 21 0.584 7.004 -4.981
170 HB3 LYS 21 2HB LYS 21 2.013 7.165 -5.989
171 HG2 LYS 21 1HG LYS 21 0.021 7.813 -7.210
172 HG3 LYS 21 2HG LYS 21 0.748 6.375 -7.927
173 HD2 LYS 21 1HD LYS 21 -0.922 4.964 -6.850
174 HD3 LYS 21 2HD LYS 21 -1.613 6.371 -6.040
175 HE2 LYS 21 1HE LYS 21 -1.490 5.992 -9.034
176 HE3 LYS 21 2HE LYS 21 -2.903 5.662 -8.033
177 HZ1 LYS 21 1HZ LYS 21 -2.940 7.992 -7.385
178 HZ2 LYS 21 2HZ LYS 21 -3.042 7.838 -9.066
179 HZ3 LYS 21 3HZ LYS 21 -1.587 8.307 -8.351
180 H LYS 22 H LYS 22 1.591 5.023 -3.002
181 HA LYS 22 HA LYS 22 4.268 5.801 -2.540
182 HB2 LYS 22 1HB LYS 22 2.302 5.906 -0.937
183 HB3 LYS 22 2HB LYS 22 2.501 4.179 -0.696
184 HG2 LYS 22 1HG LYS 22 4.719 4.532 0.228
185 HG3 LYS 22 2HG LYS 22 4.596 6.265 -0.096
186 HD2 LYS 22 1HD LYS 22 2.593 6.340 1.397
187 HD3 LYS 22 2HD LYS 22 2.884 4.648 1.802
188 HE2 LYS 22 1HE LYS 22 5.087 5.249 2.698
189 HE3 LYS 22 2HE LYS 22 4.788 6.940 2.297
190 HZ1 LYS 22 1HZ LYS 22 3.185 5.315 4.195
191 HZ2 LYS 22 2HZ LYS 22 2.928 6.944 3.829
192 HZ3 LYS 22 3HZ LYS 22 4.344 6.470 4.629
193 H LEU 23 H LEU 23 2.665 2.663 -2.723
194 HA LEU 23 HA LEU 23 5.014 1.114 -2.185
195 HB2 LEU 23 1HB LEU 23 2.538 0.460 -1.887
196 HB3 LEU 23 2HB LEU 23 2.527 0.160 -3.612
197 HG LEU 23 HG LEU 23 4.319 -1.272 -1.628
198 HD11 LEU 23 1HD1 LEU 23 1.967 -1.797 -1.247
199 HD12 LEU 23 2HD1 LEU 23 2.828 -3.181 -1.917
200 HD13 LEU 23 3HD1 LEU 23 1.774 -2.214 -2.949
201 HD21 LEU 23 1HD2 LEU 23 5.287 -1.265 -3.856
202 HD22 LEU 23 2HD2 LEU 23 3.765 -1.821 -4.548
203 HD23 LEU 23 3HD2 LEU 23 4.681 -2.874 -3.470
204 H GLU 24 H GLU 24 3.263 2.164 -5.040
205 HA GLU 24 HA GLU 24 4.326 0.625 -7.035
206 HB2 GLU 24 1HB GLU 24 2.478 2.218 -7.321
207 HB3 GLU 24 2HB GLU 24 3.601 3.561 -7.152
208 HG2 GLU 24 1HG GLU 24 4.734 2.874 -9.212
209 HG3 GLU 24 2HG GLU 24 3.608 1.527 -9.381
210 H LYS 25 H LYS 25 5.814 3.390 -5.456
211 HA LYS 25 HA LYS 25 8.251 2.928 -7.059
212 HB2 LYS 25 1HB LYS 25 8.717 5.372 -6.864
213 HB3 LYS 25 2HB LYS 25 7.294 4.995 -7.825
214 HG2 LYS 25 1HG LYS 25 5.853 5.561 -5.937
215 HG3 LYS 25 2HG LYS 25 7.275 5.919 -4.953
216 HD2 LYS 25 1HD LYS 25 7.873 7.752 -6.418
217 HD3 LYS 25 2HD LYS 25 6.564 7.340 -7.526
218 HE2 LYS 25 1HE LYS 25 6.219 8.252 -4.665
219 HE3 LYS 25 2HE LYS 25 5.992 9.255 -6.097
220 HZ1 LYS 25 1HZ LYS 25 3.889 8.409 -5.240
221 HZ2 LYS 25 2HZ LYS 25 4.423 6.820 -5.454
222 HZ3 LYS 25 3HZ LYS 25 4.195 7.818 -6.795
223 H CYS 26 H CYS 26 7.310 2.042 -4.306
224 HA CYS 26 HA CYS 26 8.797 3.306 -2.293
225 HB2 CYS 26 2HB CYS 26 7.108 1.663 -1.723
226 HB3 CYS 26 1HB CYS 26 7.985 0.399 -2.578
227 H GLN 27 H GLN 27 9.662 0.717 -4.524
228 HA GLN 27 HA GLN 27 12.470 1.433 -4.257
229 HB2 GLN 27 1HB GLN 27 12.148 -0.407 -2.632
230 HB3 GLN 27 2HB GLN 27 11.491 -1.421 -3.911
231 HG2 GLN 27 1HG GLN 27 13.630 -1.397 -5.061
232 HG3 GLN 27 2HG GLN 27 14.295 -0.309 -3.843
233 HE21 GLN 27 1HE2 GLN 27 13.990 -4.301 -3.131
234 HE22 GLN 27 2HE2 GLN 27 13.262 -3.567 -4.518
235 H ALA 28 H ALA 28 12.370 2.249 -6.299
236 HA ALA 28 HA ALA 28 11.316 0.578 -8.462
237 HB1 ALA 28 1HB ALA 28 12.094 3.502 -8.471
238 HB2 ALA 28 2HB ALA 28 10.457 2.869 -8.278
239 HB3 ALA 28 3HB ALA 28 11.324 2.623 -9.795
Start of MODEL 8
1 H1 ALA 1 1H ALA 1 9.090 6.345 8.166
2 H2 ALA 1 2H ALA 1 8.603 6.308 6.547
3 H3 ALA 1 3H ALA 1 9.895 7.295 7.019
4 HA ALA 1 HA ALA 1 10.751 5.372 5.917
5 HB1 ALA 1 1HB ALA 1 12.228 4.505 7.673
6 HB2 ALA 1 2HB ALA 1 11.187 5.212 8.907
7 HB3 ALA 1 3HB ALA 1 12.063 6.258 7.788
8 H GLU 2 H GLU 2 9.606 3.757 5.043
9 HA GLU 2 HA GLU 2 8.602 1.637 6.772
10 HB2 GLU 2 1HB GLU 2 6.420 1.650 5.457
11 HB3 GLU 2 2HB GLU 2 6.631 2.924 6.647
12 HG2 GLU 2 1HG GLU 2 7.092 3.264 3.683
13 HG3 GLU 2 2HG GLU 2 5.599 3.678 4.520
14 H ASP 3 H ASP 3 8.806 -0.309 5.931
15 HA ASP 3 HA ASP 3 10.403 -0.673 3.598
16 HB2 ASP 3 1HB ASP 3 9.071 -2.565 5.535
17 HB3 ASP 3 2HB ASP 3 9.989 -3.144 4.155
18 H CYS 4 H CYS 4 9.850 -2.263 1.875
19 HA CYS 4 HA CYS 4 7.460 -1.445 0.575
20 HB2 CYS 4 2HB CYS 4 9.670 -2.180 -0.507
21 HB3 CYS 4 1HB CYS 4 9.115 -3.830 -0.252
22 H GLU 5 H GLU 5 8.424 -4.451 2.212
23 HA GLU 5 HA GLU 5 6.068 -5.917 1.777
24 HB2 GLU 5 1HB GLU 5 8.008 -6.992 2.756
25 HB3 GLU 5 2HB GLU 5 7.961 -5.910 4.141
26 HG2 GLU 5 1HG GLU 5 5.714 -6.882 4.706
27 HG3 GLU 5 2HG GLU 5 5.989 -8.074 3.440
28 H ARG 6 H ARG 6 6.918 -3.483 4.137
29 HA ARG 6 HA ARG 6 4.625 -3.708 5.773
30 HB2 ARG 6 1HB ARG 6 6.583 -1.439 5.354
31 HB3 ARG 6 2HB ARG 6 5.353 -1.451 6.604
32 HG2 ARG 6 1HG ARG 6 7.552 -3.495 6.330
33 HG3 ARG 6 2HG ARG 6 7.574 -2.121 7.436
34 HD2 ARG 6 1HD ARG 6 5.471 -4.289 7.452
35 HD3 ARG 6 2HD ARG 6 6.892 -4.279 8.494
36 HE ARG 6 HE ARG 6 6.026 -2.318 9.577
37 HH11 ARG 6 1HH1 ARG 6 3.770 -3.925 7.431
38 HH12 ARG 6 2HH1 ARG 6 2.373 -3.190 8.147
39 HH21 ARG 6 1HH2 ARG 6 4.195 -1.431 10.565
40 HH22 ARG 6 2HH2 ARG 6 2.610 -1.840 9.986
41 H ILE 7 H ILE 7 5.468 -1.279 3.280
42 HA ILE 7 HA ILE 7 3.032 0.061 3.192
43 HB ILE 7 HB ILE 7 4.924 -0.481 0.879
44 HG12 ILE 7 1HG1 ILE 7 4.761 1.879 2.782
45 HG13 ILE 7 2HG1 ILE 7 6.010 0.638 2.794
46 HG21 ILE 7 1HG2 ILE 7 3.936 1.525 -0.150
47 HG22 ILE 7 2HG2 ILE 7 2.773 1.626 1.173
48 HG23 ILE 7 3HG2 ILE 7 2.742 0.245 0.073
49 HD11 ILE 7 1HD1 ILE 7 6.805 2.670 1.738
50 HD12 ILE 7 2HD1 ILE 7 5.487 2.597 0.566
51 HD13 ILE 7 3HD1 ILE 7 6.735 1.349 0.574
52 H ARG 8 H ARG 8 4.076 -2.847 1.488
53 HA ARG 8 HA ARG 8 1.818 -3.304 -0.110
54 HB2 ARG 8 1HB ARG 8 3.981 -4.523 -0.294
55 HB3 ARG 8 2HB ARG 8 3.625 -5.346 1.215
56 HG2 ARG 8 1HG ARG 8 3.111 -6.842 -0.564
57 HG3 ARG 8 2HG ARG 8 1.589 -6.301 0.140
58 HD2 ARG 8 1HD ARG 8 1.353 -4.653 -1.683
59 HD3 ARG 8 2HD ARG 8 2.848 -5.257 -2.403
60 HE ARG 8 HE ARG 8 0.441 -6.932 -2.041
61 HH11 ARG 8 1HH1 ARG 8 3.161 -5.876 -3.979
62 HH12 ARG 8 2HH1 ARG 8 2.761 -6.904 -5.320
63 HH21 ARG 8 1HH2 ARG 8 -0.078 -8.293 -3.794
64 HH22 ARG 8 2HH2 ARG 8 0.922 -8.280 -5.216
65 H LYS 9 H LYS 9 2.635 -4.340 3.140
66 HA LYS 9 HA LYS 9 0.381 -5.917 3.678
67 HB2 LYS 9 1HB LYS 9 2.498 -5.923 4.985
68 HB3 LYS 9 2HB LYS 9 2.084 -4.343 5.630
69 HG2 LYS 9 1HG LYS 9 0.215 -5.247 6.829
70 HG3 LYS 9 2HG LYS 9 0.422 -6.824 6.053
71 HD2 LYS 9 1HD LYS 9 2.637 -7.046 7.116
72 HD3 LYS 9 2HD LYS 9 2.409 -5.482 7.901
73 HE2 LYS 9 1HE LYS 9 0.535 -6.341 9.163
74 HE3 LYS 9 2HE LYS 9 0.618 -7.879 8.300
75 HZ1 LYS 9 1HZ LYS 9 1.648 -7.956 10.506
76 HZ2 LYS 9 2HZ LYS 9 2.772 -6.792 10.027
77 HZ3 LYS 9 3HZ LYS 9 2.753 -8.309 9.276
78 H GLU 10 H GLU 10 1.015 -2.482 4.317
79 HA GLU 10 HA GLU 10 -1.530 -1.990 5.489
80 HB2 GLU 10 1HB GLU 10 0.719 -0.270 4.531
81 HB3 GLU 10 2HB GLU 10 -0.847 0.479 4.802
82 HG2 GLU 10 1HG GLU 10 0.419 0.773 6.777
83 HG3 GLU 10 2HG GLU 10 -0.805 -0.440 7.127
84 H LEU 11 H LEU 11 -0.373 -2.073 2.199
85 HA LEU 11 HA LEU 11 -2.596 -0.703 1.030
86 HB2 LEU 11 1HB LEU 11 -0.216 -1.521 0.037
87 HB3 LEU 11 2HB LEU 11 -1.210 -2.854 -0.512
88 HG LEU 11 HG LEU 11 -1.394 0.053 -1.283
89 HD11 LEU 11 1HD1 LEU 11 -1.111 -2.478 -2.895
90 HD12 LEU 11 2HD1 LEU 11 0.153 -1.294 -2.555
91 HD13 LEU 11 3HD1 LEU 11 -1.229 -0.844 -3.554
92 HD21 LEU 11 1HD2 LEU 11 -3.670 -0.608 -0.820
93 HD22 LEU 11 2HD2 LEU 11 -3.481 -2.067 -1.795
94 HD23 LEU 11 3HD2 LEU 11 -3.427 -0.478 -2.561
95 H GLU 12 H GLU 12 -1.754 -4.086 1.569
96 HA GLU 12 HA GLU 12 -4.143 -5.209 0.549
97 HB2 GLU 12 1HB GLU 12 -1.920 -6.368 0.895
98 HB3 GLU 12 2HB GLU 12 -2.271 -6.390 2.616
99 HG2 GLU 12 1HG GLU 12 -4.226 -7.771 2.227
100 HG3 GLU 12 2HG GLU 12 -3.955 -7.701 0.487
101 H LYS 13 H LYS 13 -3.241 -3.765 3.549
102 HA LYS 13 HA LYS 13 -5.481 -4.623 5.098
103 HB2 LYS 13 1HB LYS 13 -3.553 -3.784 6.254
104 HB3 LYS 13 2HB LYS 13 -3.555 -2.298 5.320
105 HG2 LYS 13 1HG LYS 13 -4.334 -1.776 7.505
106 HG3 LYS 13 2HG LYS 13 -5.721 -1.693 6.418
107 HD2 LYS 13 1HD LYS 13 -6.362 -2.801 8.476
108 HD3 LYS 13 2HD LYS 13 -6.388 -3.962 7.148
109 HE2 LYS 13 1HE LYS 13 -4.296 -4.908 7.851
110 HE3 LYS 13 2HE LYS 13 -4.067 -3.641 9.055
111 HZ1 LYS 13 1HZ LYS 13 -6.281 -5.616 9.096
112 HZ2 LYS 13 2HZ LYS 13 -5.923 -4.474 10.292
113 HZ3 LYS 13 3HZ LYS 13 -4.859 -5.750 9.996
114 H ASN 14 H ASN 14 -4.727 -1.633 3.310
115 HA ASN 14 HA ASN 14 -7.597 -1.074 3.059
116 HB2 ASN 14 1HB ASN 14 -6.804 0.198 5.007
117 HB3 ASN 14 2HB ASN 14 -5.518 0.908 4.036
118 HD21 ASN 14 1HD2 ASN 14 -7.656 3.636 3.704
119 HD22 ASN 14 2HD2 ASN 14 -6.226 2.991 4.428
120 HA PRO 15 HA PRO 15 -5.693 -0.625 -1.097
121 HB2 PRO 15 2HB PRO 15 -8.565 -0.806 -1.842
122 HB3 PRO 15 1HB PRO 15 -7.186 -1.723 -2.456
123 HG2 PRO 15 2HG PRO 15 -8.977 -2.857 -0.828
124 HG3 PRO 15 1HG PRO 15 -7.247 -3.246 -0.702
125 HD2 PRO 15 2HD PRO 15 -8.913 -1.426 1.008
126 HD3 PRO 15 1HD PRO 15 -7.652 -2.584 1.489
127 H ASN 16 H ASN 16 -5.130 1.449 -1.471
128 HA ASN 16 HA ASN 16 -7.163 3.471 -1.933
129 HB2 ASN 16 1HB ASN 16 -6.843 3.536 0.527
130 HB3 ASN 16 2HB ASN 16 -5.123 3.792 0.294
131 HD21 ASN 16 1HD2 ASN 16 -7.039 6.986 0.928
132 HD22 ASN 16 2HD2 ASN 16 -7.109 5.427 1.673
133 H ASP 17 H ASP 17 -6.410 5.195 -3.131
134 HA ASP 17 HA ASP 17 -4.451 4.744 -5.018
135 HB2 ASP 17 1HB ASP 17 -5.393 7.454 -4.036
136 HB3 ASP 17 2HB ASP 17 -4.644 7.116 -5.592
137 H GLU 18 H GLU 18 -4.226 6.563 -1.998
138 HA GLU 18 HA GLU 18 -1.735 7.717 -2.300
139 HB2 GLU 18 1HB GLU 18 -3.595 7.338 -0.174
140 HB3 GLU 18 2HB GLU 18 -2.020 6.857 0.435
141 HG2 GLU 18 1HG GLU 18 -2.710 9.519 -0.805
142 HG3 GLU 18 2HG GLU 18 -2.471 9.195 0.910
143 H ILE 19 H ILE 19 -2.446 4.577 -0.745
144 HA ILE 19 HA ILE 19 0.302 3.990 -0.278
145 HB ILE 19 HB ILE 19 -1.990 1.996 -0.344
146 HG12 ILE 19 1HG1 ILE 19 -1.887 2.198 2.174
147 HG13 ILE 19 2HG1 ILE 19 -0.870 3.617 1.965
148 HG21 ILE 19 1HG2 ILE 19 -0.506 0.634 1.084
149 HG22 ILE 19 2HG2 ILE 19 0.765 1.843 0.899
150 HG23 ILE 19 3HG2 ILE 19 0.193 0.941 -0.504
151 HD11 ILE 19 1HD1 ILE 19 -2.706 4.752 0.827
152 HD12 ILE 19 2HD1 ILE 19 -3.176 4.215 2.437
153 HD13 ILE 19 3HD1 ILE 19 -3.711 3.317 1.016
154 H LYS 20 H LYS 20 -2.024 3.097 -2.772
155 HA LYS 20 HA LYS 20 -0.571 1.249 -4.251
156 HB2 LYS 20 1HB LYS 20 -2.538 3.381 -5.084
157 HB3 LYS 20 2HB LYS 20 -1.848 2.258 -6.245
158 HG2 LYS 20 1HG LYS 20 -2.885 0.393 -5.166
159 HG3 LYS 20 2HG LYS 20 -3.400 1.399 -3.807
160 HD2 LYS 20 1HD LYS 20 -4.909 2.634 -5.210
161 HD3 LYS 20 2HD LYS 20 -4.279 1.854 -6.660
162 HE2 LYS 20 1HE LYS 20 -5.658 0.357 -4.433
163 HE3 LYS 20 2HE LYS 20 -6.504 0.997 -5.843
164 HZ1 LYS 20 1HZ LYS 20 -4.319 -1.015 -5.878
165 HZ2 LYS 20 2HZ LYS 20 -5.059 -0.365 -7.250
166 HZ3 LYS 20 3HZ LYS 20 -5.958 -1.306 -6.177
167 H LYS 21 H LYS 21 -0.449 4.766 -4.299
168 HA LYS 21 HA LYS 21 1.455 4.886 -6.454
169 HB2 LYS 21 1HB LYS 21 -0.388 6.608 -5.702
170 HB3 LYS 21 2HB LYS 21 0.854 7.182 -4.605
171 HG2 LYS 21 1HG LYS 21 1.235 6.977 -7.587
172 HG3 LYS 21 2HG LYS 21 0.645 8.425 -6.775
173 HD2 LYS 21 1HD LYS 21 2.728 8.538 -5.475
174 HD3 LYS 21 2HD LYS 21 3.314 7.088 -6.291
175 HE2 LYS 21 1HE LYS 21 2.653 9.727 -7.608
176 HE3 LYS 21 2HE LYS 21 4.273 9.110 -7.283
177 HZ1 LYS 21 1HZ LYS 21 2.272 7.894 -9.114
178 HZ2 LYS 21 2HZ LYS 21 3.792 7.239 -8.768
179 HZ3 LYS 21 3HZ LYS 21 3.672 8.724 -9.568
180 H LYS 22 H LYS 22 1.526 5.074 -2.933
181 HA LYS 22 HA LYS 22 4.230 5.983 -2.779
182 HB2 LYS 22 1HB LYS 22 2.378 4.804 -0.708
183 HB3 LYS 22 2HB LYS 22 4.002 5.368 -0.338
184 HG2 LYS 22 1HG LYS 22 1.751 7.049 -1.442
185 HG3 LYS 22 2HG LYS 22 2.341 7.059 0.222
186 HD2 LYS 22 1HD LYS 22 4.529 7.846 -0.556
187 HD3 LYS 22 2HD LYS 22 3.958 7.814 -2.224
188 HE2 LYS 22 1HE LYS 22 3.920 10.080 -1.304
189 HE3 LYS 22 2HE LYS 22 2.298 9.521 -1.707
190 HZ1 LYS 22 1HZ LYS 22 2.470 10.675 0.456
191 HZ2 LYS 22 2HZ LYS 22 3.449 9.421 1.023
192 HZ3 LYS 22 3HZ LYS 22 1.847 9.110 0.576
193 H LEU 23 H LEU 23 2.787 2.857 -3.132
194 HA LEU 23 HA LEU 23 4.810 1.270 -1.995
195 HB2 LEU 23 1HB LEU 23 2.419 0.726 -3.161
196 HB3 LEU 23 2HB LEU 23 3.493 0.246 -4.458
197 HG LEU 23 HG LEU 23 3.418 -0.885 -1.653
198 HD11 LEU 23 1HD1 LEU 23 1.630 -1.680 -3.092
199 HD12 LEU 23 2HD1 LEU 23 2.790 -2.964 -2.767
200 HD13 LEU 23 3HD1 LEU 23 2.803 -2.138 -4.328
201 HD21 LEU 23 1HD2 LEU 23 5.737 -0.792 -2.397
202 HD22 LEU 23 2HD2 LEU 23 5.301 -1.599 -3.904
203 HD23 LEU 23 3HD2 LEU 23 5.154 -2.456 -2.369
204 H GLU 24 H GLU 24 4.594 2.967 -5.029
205 HA GLU 24 HA GLU 24 6.493 1.609 -6.554
206 HB2 GLU 24 1HB GLU 24 6.023 4.593 -6.581
207 HB3 GLU 24 2HB GLU 24 6.641 3.607 -7.899
208 HG2 GLU 24 1HG GLU 24 4.504 2.514 -8.144
209 HG3 GLU 24 2HG GLU 24 3.870 3.365 -6.734
210 H LYS 25 H LYS 25 6.907 4.086 -4.082
211 HA LYS 25 HA LYS 25 9.732 4.396 -4.695
212 HB2 LYS 25 1HB LYS 25 9.729 6.228 -3.154
213 HB3 LYS 25 2HB LYS 25 8.275 6.355 -4.126
214 HG2 LYS 25 1HG LYS 25 7.383 6.796 -2.083
215 HG3 LYS 25 2HG LYS 25 7.219 5.042 -2.072
216 HD2 LYS 25 1HD LYS 25 9.382 4.901 -0.833
217 HD3 LYS 25 2HD LYS 25 9.417 6.663 -0.768
218 HE2 LYS 25 1HE LYS 25 7.315 6.651 0.497
219 HE3 LYS 25 2HE LYS 25 7.281 4.890 0.426
220 HZ1 LYS 25 1HZ LYS 25 9.431 4.903 1.632
221 HZ2 LYS 25 2HZ LYS 25 8.155 5.552 2.523
222 HZ3 LYS 25 3HZ LYS 25 9.290 6.580 1.814
223 H CYS 26 H CYS 26 8.044 2.134 -3.056
224 HA CYS 26 HA CYS 26 9.136 1.983 -0.495
225 HB2 CYS 26 2HB CYS 26 8.417 -0.307 -0.449
226 HB3 CYS 26 1HB CYS 26 7.225 0.605 -1.367
227 H GLN 27 H GLN 27 10.196 0.239 -3.410
228 HA GLN 27 HA GLN 27 12.823 -0.185 -2.205
229 HB2 GLN 27 1HB GLN 27 11.680 -2.052 -3.426
230 HB3 GLN 27 2HB GLN 27 11.761 -1.095 -4.898
231 HG2 GLN 27 1HG GLN 27 13.523 -2.731 -4.893
232 HG3 GLN 27 2HG GLN 27 14.217 -1.114 -4.755
233 HE21 GLN 27 1HE2 GLN 27 14.689 -3.843 -1.792
234 HE22 GLN 27 2HE2 GLN 27 13.647 -4.132 -3.141
235 H ALA 28 H ALA 28 13.780 1.786 -2.233
236 HA ALA 28 HA ALA 28 13.531 3.684 -4.321
237 HB1 ALA 28 1HB ALA 28 15.293 4.913 -3.163
238 HB2 ALA 28 2HB ALA 28 15.647 3.496 -2.174
239 HB3 ALA 28 3HB ALA 28 14.092 4.313 -2.021
Start of MODEL 9
1 H1 ALA 1 1H ALA 1 9.911 -0.669 10.898
2 H2 ALA 1 2H ALA 1 9.032 0.717 11.297
3 H3 ALA 1 3H ALA 1 10.677 0.625 11.674
4 HA ALA 1 HA ALA 1 10.294 2.030 9.755
5 HB1 ALA 1 1HB ALA 1 11.933 0.985 8.273
6 HB2 ALA 1 2HB ALA 1 11.696 -0.563 9.086
7 HB3 ALA 1 3HB ALA 1 12.406 0.792 9.962
8 H GLU 2 H GLU 2 9.191 2.423 7.903
9 HA GLU 2 HA GLU 2 7.213 0.433 7.117
10 HB2 GLU 2 1HB GLU 2 7.493 3.317 6.235
11 HB3 GLU 2 2HB GLU 2 6.138 2.250 5.883
12 HG2 GLU 2 1HG GLU 2 5.762 2.053 8.356
13 HG3 GLU 2 2HG GLU 2 6.977 3.310 8.577
14 H ASP 3 H ASP 3 8.592 -1.009 6.109
15 HA ASP 3 HA ASP 3 10.123 -0.230 3.775
16 HB2 ASP 3 1HB ASP 3 10.677 -2.643 3.662
17 HB3 ASP 3 2HB ASP 3 10.996 -1.968 5.258
18 H CYS 4 H CYS 4 9.770 -2.264 1.994
19 HA CYS 4 HA CYS 4 7.434 -1.406 0.627
20 HB2 CYS 4 2HB CYS 4 9.410 -3.606 0.031
21 HB3 CYS 4 1HB CYS 4 8.073 -3.191 -1.041
22 H GLU 5 H GLU 5 8.198 -4.387 2.415
23 HA GLU 5 HA GLU 5 5.780 -5.727 1.707
24 HB2 GLU 5 1HB GLU 5 7.743 -6.926 2.621
25 HB3 GLU 5 2HB GLU 5 7.543 -6.091 4.153
26 HG2 GLU 5 1HG GLU 5 6.685 -8.351 4.294
27 HG3 GLU 5 2HG GLU 5 5.376 -7.182 4.469
28 H ARG 6 H ARG 6 6.794 -3.616 4.311
29 HA ARG 6 HA ARG 6 4.553 -3.624 5.951
30 HB2 ARG 6 1HB ARG 6 6.849 -2.399 6.172
31 HB3 ARG 6 2HB ARG 6 6.061 -1.089 5.306
32 HG2 ARG 6 1HG ARG 6 5.920 -0.584 7.616
33 HG3 ARG 6 2HG ARG 6 4.305 -1.087 7.108
34 HD2 ARG 6 1HD ARG 6 5.048 -2.061 9.288
35 HD3 ARG 6 2HD ARG 6 4.606 -3.263 8.073
36 HE ARG 6 HE ARG 6 7.430 -2.579 8.195
37 HH11 ARG 6 1HH1 ARG 6 4.905 -4.744 9.283
38 HH12 ARG 6 2HH1 ARG 6 5.998 -6.037 9.653
39 HH21 ARG 6 1HH2 ARG 6 8.874 -4.273 8.665
40 HH22 ARG 6 2HH2 ARG 6 8.267 -5.775 9.293
41 H ILE 7 H ILE 7 5.308 -1.216 3.446
42 HA ILE 7 HA ILE 7 2.809 0.054 3.466
43 HB ILE 7 HB ILE 7 4.886 -0.034 1.262
44 HG12 ILE 7 1HG1 ILE 7 4.399 1.986 3.475
45 HG13 ILE 7 2HG1 ILE 7 5.731 0.841 3.408
46 HG21 ILE 7 1HG2 ILE 7 2.725 0.675 0.376
47 HG22 ILE 7 2HG2 ILE 7 3.837 2.040 0.442
48 HG23 ILE 7 3HG2 ILE 7 2.573 1.874 1.662
49 HD11 ILE 7 1HD1 ILE 7 5.244 3.108 1.490
50 HD12 ILE 7 2HD1 ILE 7 6.572 1.951 1.400
51 HD13 ILE 7 3HD1 ILE 7 6.454 3.054 2.769
52 H ARG 8 H ARG 8 4.043 -2.623 1.500
53 HA ARG 8 HA ARG 8 1.933 -2.743 -0.353
54 HB2 ARG 8 1HB ARG 8 4.142 -4.040 -0.457
55 HB3 ARG 8 2HB ARG 8 3.412 -5.174 0.676
56 HG2 ARG 8 1HG ARG 8 1.482 -5.080 -1.220
57 HG3 ARG 8 2HG ARG 8 2.908 -4.776 -2.210
58 HD2 ARG 8 1HD ARG 8 2.654 -7.099 -2.260
59 HD3 ARG 8 2HD ARG 8 3.912 -6.839 -1.052
60 HE ARG 8 HE ARG 8 1.337 -6.928 0.154
61 HH11 ARG 8 1HH1 ARG 8 3.802 -8.996 -1.220
62 HH12 ARG 8 2HH1 ARG 8 3.329 -10.388 -0.301
63 HH21 ARG 8 1HH2 ARG 8 0.671 -8.794 1.324
64 HH22 ARG 8 2HH2 ARG 8 1.555 -10.273 1.126
65 H LYS 9 H LYS 9 2.415 -4.294 2.785
66 HA LYS 9 HA LYS 9 -0.014 -5.790 2.644
67 HB2 LYS 9 1HB LYS 9 2.057 -6.425 3.973
68 HB3 LYS 9 2HB LYS 9 1.579 -5.201 5.144
69 HG2 LYS 9 1HG LYS 9 -0.477 -6.360 5.605
70 HG3 LYS 9 2HG LYS 9 -0.158 -7.518 4.309
71 HD2 LYS 9 1HD LYS 9 1.952 -8.144 5.592
72 HD3 LYS 9 2HD LYS 9 1.285 -7.215 6.940
73 HE2 LYS 9 1HE LYS 9 0.776 -9.611 7.133
74 HE3 LYS 9 2HE LYS 9 -0.689 -8.642 6.969
75 HZ1 LYS 9 1HZ LYS 9 0.640 -10.112 4.756
76 HZ2 LYS 9 2HZ LYS 9 -0.808 -9.244 4.645
77 HZ3 LYS 9 3HZ LYS 9 -0.731 -10.647 5.588
78 H GLU 10 H GLU 10 0.888 -2.628 3.840
79 HA GLU 10 HA GLU 10 -1.598 -2.252 5.243
80 HB2 GLU 10 1HB GLU 10 0.609 -0.331 4.491
81 HB3 GLU 10 2HB GLU 10 -0.845 0.161 5.355
82 HG2 GLU 10 1HG GLU 10 -0.288 -1.548 7.102
83 HG3 GLU 10 2HG GLU 10 1.248 -1.802 6.277
84 H LEU 11 H LEU 11 -0.486 -1.839 1.980
85 HA LEU 11 HA LEU 11 -2.839 -0.423 1.100
86 HB2 LEU 11 1HB LEU 11 -0.747 -0.393 -0.211
87 HB3 LEU 11 2HB LEU 11 -0.865 -2.125 -0.446
88 HG LEU 11 HG LEU 11 -2.944 -1.794 -1.754
89 HD11 LEU 11 1HD1 LEU 11 -3.582 0.453 -2.477
90 HD12 LEU 11 2HD1 LEU 11 -2.351 1.147 -1.422
91 HD13 LEU 11 3HD1 LEU 11 -3.720 0.276 -0.727
92 HD21 LEU 11 1HD2 LEU 11 -1.887 -0.865 -3.741
93 HD22 LEU 11 2HD2 LEU 11 -0.782 -1.936 -2.885
94 HD23 LEU 11 3HD2 LEU 11 -0.593 -0.191 -2.754
95 H GLU 12 H GLU 12 -1.713 -3.736 1.210
96 HA GLU 12 HA GLU 12 -3.926 -5.119 0.225
97 HB2 GLU 12 1HB GLU 12 -1.771 -6.166 0.640
98 HB3 GLU 12 2HB GLU 12 -1.885 -5.810 2.354
99 HG2 GLU 12 1HG GLU 12 -3.855 -7.353 2.457
100 HG3 GLU 12 2HG GLU 12 -3.504 -7.807 0.788
101 H LYS 13 H LYS 13 -3.230 -3.728 3.350
102 HA LYS 13 HA LYS 13 -5.566 -4.807 4.652
103 HB2 LYS 13 1HB LYS 13 -3.532 -4.428 5.933
104 HB3 LYS 13 2HB LYS 13 -3.530 -2.728 5.487
105 HG2 LYS 13 1HG LYS 13 -5.647 -2.434 6.743
106 HG3 LYS 13 2HG LYS 13 -5.541 -4.118 7.259
107 HD2 LYS 13 1HD LYS 13 -3.425 -3.664 8.386
108 HD3 LYS 13 2HD LYS 13 -3.460 -1.994 7.815
109 HE2 LYS 13 1HE LYS 13 -5.501 -3.261 9.650
110 HE3 LYS 13 2HE LYS 13 -4.192 -2.191 10.156
111 HZ1 LYS 13 1HZ LYS 13 -6.328 -1.040 9.919
112 HZ2 LYS 13 2HZ LYS 13 -6.363 -1.424 8.272
113 HZ3 LYS 13 3HZ LYS 13 -5.153 -0.409 8.881
114 H ASN 14 H ASN 14 -4.496 -1.632 3.466
115 HA ASN 14 HA ASN 14 -7.285 -0.676 3.638
116 HB2 ASN 14 1HB ASN 14 -4.973 1.234 3.917
117 HB3 ASN 14 2HB ASN 14 -6.633 1.409 4.475
118 HD21 ASN 14 1HD2 ASN 14 -3.783 -0.230 6.823
119 HD22 ASN 14 2HD2 ASN 14 -3.489 0.208 5.178
120 HA PRO 15 HA PRO 15 -6.030 -0.396 -0.780
121 HB2 PRO 15 2HB PRO 15 -8.977 -0.270 -1.108
122 HB3 PRO 15 1HB PRO 15 -7.801 -1.334 -1.890
123 HG2 PRO 15 2HG PRO 15 -9.474 -2.251 -0.008
124 HG3 PRO 15 1HG PRO 15 -7.811 -2.854 -0.141
125 HD2 PRO 15 2HD PRO 15 -8.960 -0.860 1.790
126 HD3 PRO 15 1HD PRO 15 -7.797 -2.173 2.082
127 H ASN 16 H ASN 16 -5.204 1.682 -0.506
128 HA ASN 16 HA ASN 16 -7.097 3.866 -1.067
129 HB2 ASN 16 1HB ASN 16 -6.596 4.013 1.314
130 HB3 ASN 16 2HB ASN 16 -4.869 3.916 0.993
131 HD21 ASN 16 1HD2 ASN 16 -4.945 7.391 1.362
132 HD22 ASN 16 2HD2 ASN 16 -4.530 5.868 2.071
133 H ASP 17 H ASP 17 -6.392 5.328 -2.538
134 HA ASP 17 HA ASP 17 -4.509 4.506 -4.424
135 HB2 ASP 17 1HB ASP 17 -5.708 7.247 -3.958
136 HB3 ASP 17 2HB ASP 17 -4.778 6.808 -5.386
137 H GLU 18 H GLU 18 -4.199 6.877 -1.815
138 HA GLU 18 HA GLU 18 -1.670 7.878 -2.421
139 HB2 GLU 18 1HB GLU 18 -3.244 7.587 0.114
140 HB3 GLU 18 2HB GLU 18 -1.567 8.098 0.214
141 HG2 GLU 18 1HG GLU 18 -3.386 9.900 0.133
142 HG3 GLU 18 2HG GLU 18 -1.970 10.099 -0.899
143 H ILE 19 H ILE 19 -2.541 5.028 -0.476
144 HA ILE 19 HA ILE 19 0.143 4.354 0.195
145 HB ILE 19 HB ILE 19 -2.240 2.475 0.078
146 HG12 ILE 19 1HG1 ILE 19 -2.764 4.439 1.466
147 HG13 ILE 19 2HG1 ILE 19 -2.578 3.001 2.462
148 HG21 ILE 19 1HG2 ILE 19 -0.114 1.317 0.269
149 HG22 ILE 19 2HG2 ILE 19 -0.995 1.209 1.791
150 HG23 ILE 19 3HG2 ILE 19 0.354 2.337 1.631
151 HD11 ILE 19 1HD1 ILE 19 -1.548 4.935 3.503
152 HD12 ILE 19 2HD1 ILE 19 -0.525 5.173 2.087
153 HD13 ILE 19 3HD1 ILE 19 -0.328 3.733 3.085
154 H LYS 20 H LYS 20 -2.093 3.362 -2.341
155 HA LYS 20 HA LYS 20 -0.552 1.442 -3.658
156 HB2 LYS 20 1HB LYS 20 -2.899 1.837 -4.191
157 HB3 LYS 20 2HB LYS 20 -2.534 3.457 -4.761
158 HG2 LYS 20 1HG LYS 20 -2.892 2.033 -6.654
159 HG3 LYS 20 2HG LYS 20 -1.184 2.468 -6.592
160 HD2 LYS 20 1HD LYS 20 -0.625 0.302 -5.662
161 HD3 LYS 20 2HD LYS 20 -2.332 -0.130 -5.553
162 HE2 LYS 20 1HE LYS 20 -2.505 0.016 -8.009
163 HE3 LYS 20 2HE LYS 20 -0.787 0.406 -8.095
164 HZ1 LYS 20 1HZ LYS 20 -1.178 -1.927 -8.538
165 HZ2 LYS 20 2HZ LYS 20 -1.941 -2.122 -7.045
166 HZ3 LYS 20 3HZ LYS 20 -0.293 -1.747 -7.109
167 H LYS 21 H LYS 21 -0.480 4.944 -3.741
168 HA LYS 21 HA LYS 21 1.357 5.112 -5.964
169 HB2 LYS 21 1HB LYS 21 -0.392 6.820 -5.561
170 HB3 LYS 21 2HB LYS 21 0.380 7.243 -4.041
171 HG2 LYS 21 1HG LYS 21 0.908 8.865 -5.764
172 HG3 LYS 21 2HG LYS 21 2.360 8.012 -5.250
173 HD2 LYS 21 1HD LYS 21 2.236 8.332 -7.704
174 HD3 LYS 21 2HD LYS 21 2.317 6.635 -7.235
175 HE2 LYS 21 1HE LYS 21 0.681 7.101 -9.056
176 HE3 LYS 21 2HE LYS 21 -0.036 6.350 -7.634
177 HZ1 LYS 21 1HZ LYS 21 -1.303 8.247 -8.652
178 HZ2 LYS 21 2HZ LYS 21 -0.089 9.279 -8.079
179 HZ3 LYS 21 3HZ LYS 21 -1.010 8.373 -6.991
180 H LYS 22 H LYS 22 1.516 5.156 -2.472
181 HA LYS 22 HA LYS 22 4.245 6.085 -2.396
182 HB2 LYS 22 1HB LYS 22 2.312 5.130 -0.295
183 HB3 LYS 22 2HB LYS 22 4.009 5.404 0.087
184 HG2 LYS 22 1HG LYS 22 2.144 7.477 -1.076
185 HG3 LYS 22 2HG LYS 22 2.583 7.342 0.631
186 HD2 LYS 22 1HD LYS 22 4.886 7.826 0.153
187 HD3 LYS 22 2HD LYS 22 4.608 7.712 -1.585
188 HE2 LYS 22 1HE LYS 22 3.389 9.791 0.231
189 HE3 LYS 22 2HE LYS 22 4.807 10.040 -0.784
190 HZ1 LYS 22 1HZ LYS 22 3.389 9.482 -2.717
191 HZ2 LYS 22 2HZ LYS 22 2.914 10.890 -1.916
192 HZ3 LYS 22 3HZ LYS 22 2.043 9.462 -1.693
193 H LEU 23 H LEU 23 2.655 3.036 -2.649
194 HA LEU 23 HA LEU 23 4.688 1.327 -1.749
195 HB2 LEU 23 1HB LEU 23 2.271 0.808 -2.544
196 HB3 LEU 23 2HB LEU 23 2.960 0.736 -4.152
197 HG LEU 23 HG LEU 23 3.919 -1.012 -1.874
198 HD11 LEU 23 1HD1 LEU 23 2.562 -2.806 -2.863
199 HD12 LEU 23 2HD1 LEU 23 1.853 -1.643 -3.984
200 HD13 LEU 23 3HD1 LEU 23 1.570 -1.481 -2.251
201 HD21 LEU 23 1HD2 LEU 23 5.514 -0.797 -3.700
202 HD22 LEU 23 2HD2 LEU 23 4.267 -1.231 -4.870
203 HD23 LEU 23 3HD2 LEU 23 4.817 -2.414 -3.683
204 H GLU 24 H GLU 24 4.199 3.066 -4.752
205 HA GLU 24 HA GLU 24 6.247 1.992 -6.328
206 HB2 GLU 24 1HB GLU 24 5.256 4.858 -6.266
207 HB3 GLU 24 2HB GLU 24 6.118 4.093 -7.593
208 HG2 GLU 24 1HG GLU 24 3.402 3.244 -6.596
209 HG3 GLU 24 2HG GLU 24 3.683 4.311 -7.970
210 H LYS 25 H LYS 25 6.360 4.088 -3.598
211 HA LYS 25 HA LYS 25 9.177 4.778 -4.126
212 HB2 LYS 25 1HB LYS 25 7.568 6.687 -4.170
213 HB3 LYS 25 2HB LYS 25 7.131 6.325 -2.507
214 HG2 LYS 25 1HG LYS 25 9.373 6.865 -1.765
215 HG3 LYS 25 2HG LYS 25 9.892 7.117 -3.433
216 HD2 LYS 25 1HD LYS 25 8.386 9.000 -3.661
217 HD3 LYS 25 2HD LYS 25 7.723 8.710 -2.052
218 HE2 LYS 25 1HE LYS 25 9.822 9.283 -1.023
219 HE3 LYS 25 2HE LYS 25 10.616 9.386 -2.596
220 HZ1 LYS 25 1HZ LYS 25 8.349 11.129 -1.811
221 HZ2 LYS 25 2HZ LYS 25 9.386 11.310 -3.137
222 HZ3 LYS 25 3HZ LYS 25 9.969 11.554 -1.569
223 H CYS 26 H CYS 26 7.713 2.495 -2.636
224 HA CYS 26 HA CYS 26 8.248 2.733 0.123
225 HB2 CYS 26 2HB CYS 26 7.964 0.328 0.214
226 HB3 CYS 26 1HB CYS 26 6.787 0.988 -0.918
227 H GLN 27 H GLN 27 10.217 1.950 -2.607
228 HA GLN 27 HA GLN 27 12.555 1.491 -0.876
229 HB2 GLN 27 1HB GLN 27 13.404 0.001 -2.739
230 HB3 GLN 27 2HB GLN 27 12.014 -0.622 -1.859
231 HG2 GLN 27 1HG GLN 27 10.575 0.329 -3.714
232 HG3 GLN 27 2HG GLN 27 12.069 0.595 -4.608
233 HE21 GLN 27 1HE2 GLN 27 10.494 -3.123 -4.214
234 HE22 GLN 27 2HE2 GLN 27 9.889 -1.779 -3.310
235 H ALA 28 H ALA 28 13.692 3.312 -0.990
236 HA ALA 28 HA ALA 28 13.712 4.972 -3.348
237 HB1 ALA 28 1HB ALA 28 15.277 5.242 -0.772
238 HB2 ALA 28 2HB ALA 28 13.707 5.974 -1.104
239 HB3 ALA 28 3HB ALA 28 15.124 6.467 -2.031
Start of MODEL 10
1 H1 ALA 1 1H ALA 1 11.621 6.412 0.861
2 H2 ALA 1 2H ALA 1 12.717 5.165 0.554
3 H3 ALA 1 3H ALA 1 12.573 5.793 2.116
4 HA ALA 1 HA ALA 1 10.369 4.938 2.329
5 HB1 ALA 1 1HB ALA 1 9.733 5.230 -0.033
6 HB2 ALA 1 2HB ALA 1 9.345 3.618 0.566
7 HB3 ALA 1 3HB ALA 1 10.755 3.862 -0.465
8 H GLU 2 H GLU 2 10.657 3.338 3.774
9 HA GLU 2 HA GLU 2 13.040 1.676 3.453
10 HB2 GLU 2 1HB GLU 2 11.373 1.877 5.949
11 HB3 GLU 2 2HB GLU 2 13.058 1.417 5.800
12 HG2 GLU 2 1HG GLU 2 11.881 4.170 5.465
13 HG3 GLU 2 2HG GLU 2 12.933 3.606 6.760
14 H ASP 3 H ASP 3 10.028 0.979 5.165
15 HA ASP 3 HA ASP 3 10.363 -1.826 4.517
16 HB2 ASP 3 1HB ASP 3 8.231 -0.503 6.224
17 HB3 ASP 3 2HB ASP 3 8.585 -2.225 6.141
18 H CYS 4 H CYS 4 9.943 -1.366 2.189
19 HA CYS 4 HA CYS 4 7.498 -0.442 1.209
20 HB2 CYS 4 2HB CYS 4 9.422 -2.396 -0.064
21 HB3 CYS 4 1HB CYS 4 8.139 -1.533 -0.908
22 H GLU 5 H GLU 5 8.504 -3.793 1.911
23 HA GLU 5 HA GLU 5 6.094 -4.938 0.939
24 HB2 GLU 5 1HB GLU 5 8.152 -6.046 2.858
25 HB3 GLU 5 2HB GLU 5 6.819 -6.981 2.182
26 HG2 GLU 5 1HG GLU 5 7.692 -6.453 -0.093
27 HG3 GLU 5 2HG GLU 5 9.089 -5.701 0.670
28 H ARG 6 H ARG 6 7.010 -3.538 4.012
29 HA ARG 6 HA ARG 6 4.722 -4.476 5.432
30 HB2 ARG 6 1HB ARG 6 6.682 -3.584 6.636
31 HB3 ARG 6 2HB ARG 6 6.382 -1.993 5.942
32 HG2 ARG 6 1HG ARG 6 5.547 -2.099 8.224
33 HG3 ARG 6 2HG ARG 6 4.216 -1.890 7.086
34 HD2 ARG 6 1HD ARG 6 4.143 -4.532 7.197
35 HD3 ARG 6 2HD ARG 6 4.950 -4.268 8.742
36 HE ARG 6 HE ARG 6 2.431 -2.876 8.143
37 HH11 ARG 6 1HH1 ARG 6 4.235 -5.135 10.130
38 HH12 ARG 6 2HH1 ARG 6 2.944 -5.331 11.276
39 HH21 ARG 6 1HH2 ARG 6 0.761 -3.125 9.642
40 HH22 ARG 6 2HH2 ARG 6 0.981 -4.164 11.023
41 H ILE 7 H ILE 7 5.444 -1.577 3.515
42 HA ILE 7 HA ILE 7 2.947 -0.299 3.813
43 HB ILE 7 HB ILE 7 4.766 -0.252 1.388
44 HG12 ILE 7 1HG1 ILE 7 4.680 1.637 3.764
45 HG13 ILE 7 2HG1 ILE 7 5.909 0.404 3.501
46 HG21 ILE 7 1HG2 ILE 7 2.531 0.595 0.889
47 HG22 ILE 7 2HG2 ILE 7 3.708 1.908 0.886
48 HG23 ILE 7 3HG2 ILE 7 2.626 1.694 2.264
49 HD11 ILE 7 1HD1 ILE 7 6.718 2.593 2.858
50 HD12 ILE 7 2HD1 ILE 7 5.380 2.777 1.723
51 HD13 ILE 7 3HD1 ILE 7 6.603 1.532 1.453
52 H ARG 8 H ARG 8 4.107 -2.763 1.584
53 HA ARG 8 HA ARG 8 1.884 -3.157 -0.023
54 HB2 ARG 8 1HB ARG 8 4.099 -4.323 -0.243
55 HB3 ARG 8 2HB ARG 8 3.659 -5.316 1.144
56 HG2 ARG 8 1HG ARG 8 1.770 -6.236 -0.108
57 HG3 ARG 8 2HG ARG 8 2.212 -5.249 -1.502
58 HD2 ARG 8 1HD ARG 8 3.957 -7.371 -0.232
59 HD3 ARG 8 2HD ARG 8 3.017 -7.571 -1.710
60 HE ARG 8 HE ARG 8 4.479 -5.517 -2.427
61 HH11 ARG 8 1HH1 ARG 8 5.496 -8.340 -0.631
62 HH12 ARG 8 2HH1 ARG 8 7.122 -8.293 -1.231
63 HH21 ARG 8 1HH2 ARG 8 6.635 -5.460 -3.228
64 HH22 ARG 8 2HH2 ARG 8 7.761 -6.670 -2.703
65 H LYS 9 H LYS 9 2.675 -4.635 3.105
66 HA LYS 9 HA LYS 9 0.303 -6.033 3.517
67 HB2 LYS 9 1HB LYS 9 2.477 -4.991 5.250
68 HB3 LYS 9 2HB LYS 9 0.966 -5.370 6.063
69 HG2 LYS 9 1HG LYS 9 2.564 -7.282 4.360
70 HG3 LYS 9 2HG LYS 9 2.542 -7.237 6.126
71 HD2 LYS 9 1HD LYS 9 -0.018 -7.523 5.888
72 HD3 LYS 9 2HD LYS 9 0.337 -8.014 4.231
73 HE2 LYS 9 1HE LYS 9 0.153 -9.957 5.685
74 HE3 LYS 9 2HE LYS 9 1.801 -9.791 5.078
75 HZ1 LYS 9 1HZ LYS 9 1.634 -10.322 7.485
76 HZ2 LYS 9 2HZ LYS 9 0.928 -8.807 7.736
77 HZ3 LYS 9 3HZ LYS 9 2.509 -8.917 7.153
78 H GLU 10 H GLU 10 1.141 -2.693 4.363
79 HA GLU 10 HA GLU 10 -1.257 -2.110 5.744
80 HB2 GLU 10 1HB GLU 10 0.656 -0.208 4.355
81 HB3 GLU 10 2HB GLU 10 -0.594 0.261 5.501
82 HG2 GLU 10 1HG GLU 10 1.847 -1.413 6.064
83 HG3 GLU 10 2HG GLU 10 1.533 0.232 6.612
84 H LEU 11 H LEU 11 -0.373 -2.070 2.370
85 HA LEU 11 HA LEU 11 -2.705 -0.617 1.513
86 HB2 LEU 11 1HB LEU 11 -0.586 -0.598 0.232
87 HB3 LEU 11 2HB LEU 11 -0.773 -2.314 -0.081
88 HG LEU 11 HG LEU 11 -2.842 -1.850 -1.350
89 HD11 LEU 11 1HD1 LEU 11 -3.453 0.428 -1.928
90 HD12 LEU 11 2HD1 LEU 11 -2.155 1.054 -0.910
91 HD13 LEU 11 3HD1 LEU 11 -3.513 0.193 -0.185
92 HD21 LEU 11 1HD2 LEU 11 -0.447 -0.270 -2.287
93 HD22 LEU 11 2HD2 LEU 11 -1.779 -0.829 -3.298
94 HD23 LEU 11 3HD2 LEU 11 -0.708 -1.998 -2.528
95 H GLU 12 H GLU 12 -1.749 -3.953 1.905
96 HA GLU 12 HA GLU 12 -3.890 -5.203 0.574
97 HB2 GLU 12 1HB GLU 12 -1.829 -6.363 1.241
98 HB3 GLU 12 2HB GLU 12 -2.235 -6.142 2.936
99 HG2 GLU 12 1HG GLU 12 -4.189 -7.567 2.669
100 HG3 GLU 12 2HG GLU 12 -3.826 -7.755 0.954
101 H LYS 13 H LYS 13 -3.453 -4.030 3.854
102 HA LYS 13 HA LYS 13 -6.085 -4.836 4.728
103 HB2 LYS 13 1HB LYS 13 -4.175 -4.790 6.283
104 HB3 LYS 13 2HB LYS 13 -3.999 -3.061 6.038
105 HG2 LYS 13 1HG LYS 13 -6.611 -4.094 7.050
106 HG3 LYS 13 2HG LYS 13 -5.237 -4.051 8.153
107 HD2 LYS 13 1HD LYS 13 -6.336 -1.685 6.615
108 HD3 LYS 13 2HD LYS 13 -6.614 -2.020 8.325
109 HE2 LYS 13 1HE LYS 13 -4.193 -1.841 8.735
110 HE3 LYS 13 2HE LYS 13 -3.937 -1.476 7.030
111 HZ1 LYS 13 1HZ LYS 13 -5.448 0.163 8.988
112 HZ2 LYS 13 2HZ LYS 13 -5.369 0.495 7.335
113 HZ3 LYS 13 3HZ LYS 13 -3.966 0.550 8.276
114 H ASN 14 H ASN 14 -4.468 -1.846 3.767
115 HA ASN 14 HA ASN 14 -7.064 -0.434 3.798
116 HB2 ASN 14 1HB ASN 14 -5.627 0.378 5.604
117 HB3 ASN 14 2HB ASN 14 -4.308 0.644 4.469
118 HD21 ASN 14 1HD2 ASN 14 -5.330 3.962 4.458
119 HD22 ASN 14 2HD2 ASN 14 -4.140 2.803 4.933
120 HA PRO 15 HA PRO 15 -5.590 -0.121 -0.505
121 HB2 PRO 15 2HB PRO 15 -7.957 -0.409 -1.713
122 HB3 PRO 15 1HB PRO 15 -7.140 -1.788 -0.968
123 HG2 PRO 15 2HG PRO 15 -9.429 -0.162 0.062
124 HG3 PRO 15 1HG PRO 15 -9.162 -1.910 0.163
125 HD2 PRO 15 2HD PRO 15 -8.629 -0.073 2.193
126 HD3 PRO 15 1HD PRO 15 -7.956 -1.712 2.091
127 H ASN 16 H ASN 16 -4.990 1.940 -0.925
128 HA ASN 16 HA ASN 16 -7.026 3.869 -1.677
129 HB2 ASN 16 1HB ASN 16 -5.153 4.285 0.646
130 HB3 ASN 16 2HB ASN 16 -5.649 5.663 -0.328
131 HD21 ASN 16 1HD2 ASN 16 -8.218 3.939 2.296
132 HD22 ASN 16 2HD2 ASN 16 -6.676 3.243 1.950
133 H ASP 17 H ASP 17 -6.315 5.239 -3.299
134 HA ASP 17 HA ASP 17 -4.245 4.305 -4.909
135 HB2 ASP 17 1HB ASP 17 -5.686 6.952 -4.876
136 HB3 ASP 17 2HB ASP 17 -4.437 6.596 -6.063
137 H GLU 18 H GLU 18 -4.207 6.978 -2.588
138 HA GLU 18 HA GLU 18 -1.673 7.982 -3.128
139 HB2 GLU 18 1HB GLU 18 -3.254 9.059 -1.569
140 HB3 GLU 18 2HB GLU 18 -3.028 7.738 -0.427
141 HG2 GLU 18 1HG GLU 18 -0.665 8.335 -0.202
142 HG3 GLU 18 2HG GLU 18 -0.894 9.656 -1.347
143 H ILE 19 H ILE 19 -2.562 5.542 -0.676
144 HA ILE 19 HA ILE 19 0.050 4.842 0.074
145 HB ILE 19 HB ILE 19 -2.412 3.074 0.124
146 HG12 ILE 19 1HG1 ILE 19 -2.827 5.185 1.293
147 HG13 ILE 19 2HG1 ILE 19 -2.692 3.869 2.452
148 HG21 ILE 19 1HG2 ILE 19 -1.263 1.906 1.968
149 HG22 ILE 19 2HG2 ILE 19 0.160 2.914 1.702
150 HG23 ILE 19 3HG2 ILE 19 -0.373 1.796 0.448
151 HD11 ILE 19 1HD1 ILE 19 -0.549 5.885 1.809
152 HD12 ILE 19 2HD1 ILE 19 -0.406 4.566 2.969
153 HD13 ILE 19 3HD1 ILE 19 -1.568 5.863 3.248
154 H LYS 20 H LYS 20 -2.038 3.683 -2.499
155 HA LYS 20 HA LYS 20 -0.615 1.437 -3.346
156 HB2 LYS 20 1HB LYS 20 -2.407 3.389 -4.792
157 HB3 LYS 20 2HB LYS 20 -1.651 2.051 -5.645
158 HG2 LYS 20 1HG LYS 20 -2.834 0.445 -4.371
159 HG3 LYS 20 2HG LYS 20 -3.351 1.653 -3.193
160 HD2 LYS 20 1HD LYS 20 -5.180 1.021 -4.700
161 HD3 LYS 20 2HD LYS 20 -4.757 2.722 -4.877
162 HE2 LYS 20 1HE LYS 20 -3.424 2.142 -6.882
163 HE3 LYS 20 2HE LYS 20 -3.952 0.464 -6.717
164 HZ1 LYS 20 1HZ LYS 20 -6.250 1.236 -6.952
165 HZ2 LYS 20 2HZ LYS 20 -5.319 1.608 -8.312
166 HZ3 LYS 20 3HZ LYS 20 -5.700 2.817 -7.194
167 H LYS 21 H LYS 21 -0.237 4.863 -4.267
168 HA LYS 21 HA LYS 21 2.016 4.217 -5.959
169 HB2 LYS 21 1HB LYS 21 0.687 6.808 -5.222
170 HB3 LYS 21 2HB LYS 21 2.226 6.782 -6.078
171 HG2 LYS 21 1HG LYS 21 0.946 5.116 -7.669
172 HG3 LYS 21 2HG LYS 21 -0.478 5.922 -7.005
173 HD2 LYS 21 1HD LYS 21 0.193 8.025 -7.856
174 HD3 LYS 21 2HD LYS 21 1.839 7.462 -8.163
175 HE2 LYS 21 1HE LYS 21 -0.667 6.632 -9.634
176 HE3 LYS 21 2HE LYS 21 0.662 7.609 -10.262
177 HZ1 LYS 21 1HZ LYS 21 2.129 5.643 -9.868
178 HZ2 LYS 21 2HZ LYS 21 0.949 5.406 -11.056
179 HZ3 LYS 21 3HZ LYS 21 0.743 4.735 -9.520
180 H LYS 22 H LYS 22 1.569 5.272 -2.659
181 HA LYS 22 HA LYS 22 4.279 6.017 -2.210
182 HB2 LYS 22 1HB LYS 22 2.247 4.943 -0.232
183 HB3 LYS 22 2HB LYS 22 3.782 5.686 0.195
184 HG2 LYS 22 1HG LYS 22 1.458 7.029 -1.175
185 HG3 LYS 22 2HG LYS 22 1.959 7.252 0.498
186 HD2 LYS 22 1HD LYS 22 3.716 7.910 -1.871
187 HD3 LYS 22 2HD LYS 22 2.642 9.078 -1.104
188 HE2 LYS 22 1HE LYS 22 4.780 9.448 -0.165
189 HE3 LYS 22 2HE LYS 22 3.859 8.590 1.066
190 HZ1 LYS 22 1HZ LYS 22 5.796 7.312 -0.789
191 HZ2 LYS 22 2HZ LYS 22 4.990 6.562 0.493
192 HZ3 LYS 22 3HZ LYS 22 6.137 7.758 0.802
193 H LEU 23 H LEU 23 2.576 3.006 -2.423
194 HA LEU 23 HA LEU 23 4.794 1.394 -1.511
195 HB2 LEU 23 1HB LEU 23 2.524 0.565 -1.223
196 HB3 LEU 23 2HB LEU 23 2.224 0.698 -2.948
197 HG LEU 23 HG LEU 23 3.884 -1.081 -3.368
198 HD11 LEU 23 1HD1 LEU 23 5.334 -0.723 -1.446
199 HD12 LEU 23 2HD1 LEU 23 4.779 -2.395 -1.518
200 HD13 LEU 23 3HD1 LEU 23 4.053 -1.274 -0.364
201 HD21 LEU 23 1HD2 LEU 23 1.755 -1.847 -1.376
202 HD22 LEU 23 2HD2 LEU 23 2.567 -2.938 -2.497
203 HD23 LEU 23 3HD2 LEU 23 1.525 -1.656 -3.115
204 H GLU 24 H GLU 24 3.288 2.269 -4.590
205 HA GLU 24 HA GLU 24 4.784 0.848 -6.401
206 HB2 GLU 24 1HB GLU 24 2.911 2.269 -7.064
207 HB3 GLU 24 2HB GLU 24 3.800 3.712 -6.602
208 HG2 GLU 24 1HG GLU 24 5.452 3.219 -8.379
209 HG3 GLU 24 2HG GLU 24 4.471 1.839 -8.868
210 H LYS 25 H LYS 25 5.523 4.172 -5.336
211 HA LYS 25 HA LYS 25 8.189 3.978 -6.463
212 HB2 LYS 25 1HB LYS 25 6.753 6.250 -5.074
213 HB3 LYS 25 2HB LYS 25 8.373 6.368 -5.746
214 HG2 LYS 25 1HG LYS 25 5.814 5.854 -7.256
215 HG3 LYS 25 2HG LYS 25 6.818 7.305 -7.311
216 HD2 LYS 25 1HD LYS 25 7.621 4.543 -8.255
217 HD3 LYS 25 2HD LYS 25 7.194 5.908 -9.288
218 HE2 LYS 25 1HE LYS 25 9.136 7.132 -8.585
219 HE3 LYS 25 2HE LYS 25 9.503 5.939 -7.339
220 HZ1 LYS 25 1HZ LYS 25 9.544 5.421 -10.266
221 HZ2 LYS 25 2HZ LYS 25 9.936 4.312 -9.050
222 HZ3 LYS 25 3HZ LYS 25 10.907 5.673 -9.294
223 H CYS 26 H CYS 26 7.360 2.420 -4.033
224 HA CYS 26 HA CYS 26 9.446 3.340 -2.189
225 HB2 CYS 26 2HB CYS 26 7.212 2.658 -1.272
226 HB3 CYS 26 1HB CYS 26 7.512 1.029 -1.865
227 H GLN 27 H GLN 27 8.610 0.849 -4.466
228 HA GLN 27 HA GLN 27 11.247 -0.417 -4.090
229 HB2 GLN 27 1HB GLN 27 10.191 -2.600 -4.530
230 HB3 GLN 27 2HB GLN 27 9.531 -1.833 -3.091
231 HG2 GLN 27 1HG GLN 27 7.658 -0.989 -4.616
232 HG3 GLN 27 2HG GLN 27 8.256 -2.159 -5.790
233 HE21 GLN 27 1HE2 GLN 27 5.510 -3.525 -3.600
234 HE22 GLN 27 2HE2 GLN 27 5.699 -2.027 -4.434
235 H ALA 28 H ALA 28 8.943 0.927 -6.232
236 HA ALA 28 HA ALA 28 10.312 -0.187 -8.586
237 HB1 ALA 28 1HB ALA 28 7.588 1.119 -8.422
238 HB2 ALA 28 2HB ALA 28 7.891 -0.617 -8.507
239 HB3 ALA 28 3HB ALA 28 8.324 0.420 -9.865
Start of MODEL 11
1 H1 ALA 1 1H ALA 1 11.931 3.867 -2.226
2 H2 ALA 1 2H ALA 1 12.289 4.741 -0.826
3 H3 ALA 1 3H ALA 1 11.231 5.387 -1.973
4 HA ALA 1 HA ALA 1 9.997 4.585 -0.106
5 HB1 ALA 1 1HB ALA 1 8.469 3.066 -1.272
6 HB2 ALA 1 2HB ALA 1 9.685 2.790 -2.519
7 HB3 ALA 1 3HB ALA 1 8.972 4.391 -2.320
8 H GLU 2 H GLU 2 10.703 3.618 1.682
9 HA GLU 2 HA GLU 2 11.748 0.865 1.505
10 HB2 GLU 2 1HB GLU 2 12.185 2.993 3.619
11 HB3 GLU 2 2HB GLU 2 12.699 1.320 3.792
12 HG2 GLU 2 1HG GLU 2 14.605 2.525 3.127
13 HG3 GLU 2 2HG GLU 2 14.074 1.630 1.708
14 H ASP 3 H ASP 3 11.325 -0.256 3.817
15 HA ASP 3 HA ASP 3 9.767 -1.462 4.939
16 HB2 ASP 3 1HB ASP 3 8.483 1.277 5.096
17 HB3 ASP 3 2HB ASP 3 7.903 -0.124 5.985
18 H CYS 4 H CYS 4 9.623 -1.412 2.130
19 HA CYS 4 HA CYS 4 7.225 -0.880 0.915
20 HB2 CYS 4 2HB CYS 4 9.177 -3.118 0.340
21 HB3 CYS 4 1HB CYS 4 7.908 -2.588 -0.762
22 H GLU 5 H GLU 5 8.087 -3.778 2.760
23 HA GLU 5 HA GLU 5 5.788 -5.245 1.914
24 HB2 GLU 5 1HB GLU 5 7.541 -5.754 4.328
25 HB3 GLU 5 2HB GLU 5 6.452 -6.903 3.558
26 HG2 GLU 5 1HG GLU 5 9.049 -5.803 2.528
27 HG3 GLU 5 2HG GLU 5 8.592 -7.485 2.798
28 H ARG 6 H ARG 6 6.585 -3.301 4.740
29 HA ARG 6 HA ARG 6 4.237 -3.698 6.226
30 HB2 ARG 6 1HB ARG 6 6.373 -2.433 6.895
31 HB3 ARG 6 2HB ARG 6 5.716 -1.065 6.006
32 HG2 ARG 6 1HG ARG 6 3.676 -1.241 7.499
33 HG3 ARG 6 2HG ARG 6 4.609 -2.373 8.481
34 HD2 ARG 6 1HD ARG 6 5.166 0.541 7.953
35 HD3 ARG 6 2HD ARG 6 4.861 -0.247 9.500
36 HE ARG 6 HE ARG 6 7.321 -0.618 7.904
37 HH11 ARG 6 1HH1 ARG 6 5.677 -0.506 10.989
38 HH12 ARG 6 2HH1 ARG 6 7.144 -0.508 11.910
39 HH21 ARG 6 1HH2 ARG 6 9.250 -0.619 9.103
40 HH22 ARG 6 2HH2 ARG 6 9.187 -0.556 10.837
41 H ILE 7 H ILE 7 5.077 -1.323 3.752
42 HA ILE 7 HA ILE 7 2.637 0.040 3.540
43 HB ILE 7 HB ILE 7 4.676 -0.530 1.367
44 HG12 ILE 7 1HG1 ILE 7 4.442 1.862 3.220
45 HG13 ILE 7 2HG1 ILE 7 5.644 0.584 3.366
46 HG21 ILE 7 1HG2 ILE 7 2.579 1.638 1.511
47 HG22 ILE 7 2HG2 ILE 7 2.543 0.231 0.447
48 HG23 ILE 7 3HG2 ILE 7 3.796 1.455 0.247
49 HD11 ILE 7 1HD1 ILE 7 6.544 1.213 1.168
50 HD12 ILE 7 2HD1 ILE 7 6.611 2.536 2.331
51 HD13 ILE 7 3HD1 ILE 7 5.369 2.523 1.078
52 H ARG 8 H ARG 8 3.835 -2.882 1.979
53 HA ARG 8 HA ARG 8 1.805 -3.226 0.076
54 HB2 ARG 8 1HB ARG 8 4.080 -4.416 0.254
55 HB3 ARG 8 2HB ARG 8 3.300 -5.496 1.401
56 HG2 ARG 8 1HG ARG 8 1.667 -6.125 -0.330
57 HG3 ARG 8 2HG ARG 8 2.498 -5.070 -1.477
58 HD2 ARG 8 1HD ARG 8 3.531 -7.582 -0.170
59 HD3 ARG 8 2HD ARG 8 3.283 -7.278 -1.888
60 HE ARG 8 HE ARG 8 5.528 -6.408 -0.244
61 HH11 ARG 8 1HH1 ARG 8 3.886 -6.131 -3.339
62 HH12 ARG 8 2HH1 ARG 8 5.307 -5.574 -4.171
63 HH21 ARG 8 1HH2 ARG 8 7.363 -5.629 -1.326
64 HH22 ARG 8 2HH2 ARG 8 7.278 -5.265 -3.027
65 H LYS 9 H LYS 9 2.148 -4.408 3.389
66 HA LYS 9 HA LYS 9 -0.264 -5.928 3.357
67 HB2 LYS 9 1HB LYS 9 1.422 -4.916 5.655
68 HB3 LYS 9 2HB LYS 9 0.048 -5.998 5.851
69 HG2 LYS 9 1HG LYS 9 2.560 -6.587 4.285
70 HG3 LYS 9 2HG LYS 9 2.154 -7.223 5.881
71 HD2 LYS 9 1HD LYS 9 0.217 -8.384 4.943
72 HD3 LYS 9 2HD LYS 9 0.567 -7.710 3.349
73 HE2 LYS 9 1HE LYS 9 2.720 -8.899 3.333
74 HE3 LYS 9 2HE LYS 9 2.348 -9.583 4.916
75 HZ1 LYS 9 1HZ LYS 9 1.856 -11.116 3.086
76 HZ2 LYS 9 2HZ LYS 9 0.738 -10.016 2.461
77 HZ3 LYS 9 3HZ LYS 9 0.469 -10.726 3.971
78 H GLU 10 H GLU 10 0.543 -2.660 4.538
79 HA GLU 10 HA GLU 10 -1.956 -2.089 5.660
80 HB2 GLU 10 1HB GLU 10 0.181 -0.706 5.852
81 HB3 GLU 10 2HB GLU 10 -0.214 -0.044 4.266
82 HG2 GLU 10 1HG GLU 10 -2.446 0.611 5.236
83 HG3 GLU 10 2HG GLU 10 -1.791 0.177 6.811
84 H LEU 11 H LEU 11 -0.769 -1.895 2.367
85 HA LEU 11 HA LEU 11 -3.100 -0.599 1.312
86 HB2 LEU 11 1HB LEU 11 -0.726 -0.569 0.350
87 HB3 LEU 11 2HB LEU 11 -1.047 -2.183 -0.245
88 HG LEU 11 HG LEU 11 -1.315 -0.241 -1.887
89 HD11 LEU 11 1HD1 LEU 11 -2.152 -2.481 -2.370
90 HD12 LEU 11 2HD1 LEU 11 -3.218 -1.233 -3.014
91 HD13 LEU 11 3HD1 LEU 11 -3.662 -2.099 -1.543
92 HD21 LEU 11 1HD2 LEU 11 -3.451 0.942 -1.851
93 HD22 LEU 11 2HD2 LEU 11 -2.515 1.283 -0.399
94 HD23 LEU 11 3HD2 LEU 11 -3.873 0.161 -0.331
95 H GLU 12 H GLU 12 -1.968 -3.895 1.671
96 HA GLU 12 HA GLU 12 -3.815 -5.258 0.102
97 HB2 GLU 12 1HB GLU 12 -1.856 -6.320 1.112
98 HB3 GLU 12 2HB GLU 12 -2.528 -6.078 2.718
99 HG2 GLU 12 1HG GLU 12 -4.375 -7.587 2.173
100 HG3 GLU 12 2HG GLU 12 -3.699 -7.824 0.563
101 H LYS 13 H LYS 13 -4.028 -4.126 3.444
102 HA LYS 13 HA LYS 13 -6.740 -5.073 3.763
103 HB2 LYS 13 1HB LYS 13 -5.261 -5.026 5.704
104 HB3 LYS 13 2HB LYS 13 -5.036 -3.289 5.523
105 HG2 LYS 13 1HG LYS 13 -7.443 -2.955 5.954
106 HG3 LYS 13 2HG LYS 13 -7.623 -4.694 6.195
107 HD2 LYS 13 1HD LYS 13 -6.093 -4.604 8.092
108 HD3 LYS 13 2HD LYS 13 -5.848 -2.875 7.831
109 HE2 LYS 13 1HE LYS 13 -8.453 -4.217 8.561
110 HE3 LYS 13 2HE LYS 13 -7.437 -3.262 9.640
111 HZ1 LYS 13 1HZ LYS 13 -8.828 -2.257 7.214
112 HZ2 LYS 13 2HZ LYS 13 -7.825 -1.338 8.212
113 HZ3 LYS 13 3HZ LYS 13 -9.277 -1.954 8.815
114 H ASN 14 H ASN 14 -5.231 -1.833 3.811
115 HA ASN 14 HA ASN 14 -7.871 -0.638 3.310
116 HB2 ASN 14 1HB ASN 14 -5.308 0.645 4.303
117 HB3 ASN 14 2HB ASN 14 -6.854 1.465 4.108
118 HD21 ASN 14 1HD2 ASN 14 -6.220 0.332 7.646
119 HD22 ASN 14 2HD2 ASN 14 -5.223 1.124 6.480
120 HA PRO 15 HA PRO 15 -6.380 0.263 -0.807
121 HB2 PRO 15 2HB PRO 15 -8.821 1.643 -1.413
122 HB3 PRO 15 1HB PRO 15 -8.388 -0.018 -1.815
123 HG2 PRO 15 2HG PRO 15 -10.382 0.720 -0.031
124 HG3 PRO 15 1HG PRO 15 -9.601 -0.869 -0.086
125 HD2 PRO 15 2HD PRO 15 -9.078 1.443 1.743
126 HD3 PRO 15 1HD PRO 15 -9.069 -0.302 2.090
127 H ASN 16 H ASN 16 -5.199 1.974 0.934
128 HA ASN 16 HA ASN 16 -6.048 4.700 0.611
129 HB2 ASN 16 1HB ASN 16 -3.470 3.547 1.710
130 HB3 ASN 16 2HB ASN 16 -3.903 5.253 1.769
131 HD21 ASN 16 1HD2 ASN 16 -4.780 3.426 4.945
132 HD22 ASN 16 2HD2 ASN 16 -3.361 3.434 3.959
133 H ASP 17 H ASP 17 -5.422 6.168 -0.857
134 HA ASP 17 HA ASP 17 -4.353 5.325 -3.314
135 HB2 ASP 17 1HB ASP 17 -4.517 8.171 -2.279
136 HB3 ASP 17 2HB ASP 17 -4.362 7.682 -3.963
137 H GLU 18 H GLU 18 -2.921 7.581 -0.953
138 HA GLU 18 HA GLU 18 -0.418 7.880 -2.060
139 HB2 GLU 18 1HB GLU 18 -1.347 7.873 0.806
140 HB3 GLU 18 2HB GLU 18 0.336 8.174 0.399
141 HG2 GLU 18 1HG GLU 18 -1.947 9.776 -0.728
142 HG3 GLU 18 2HG GLU 18 -1.079 10.212 0.744
143 H ILE 19 H ILE 19 -1.505 5.346 0.147
144 HA ILE 19 HA ILE 19 1.005 4.096 0.469
145 HB ILE 19 HB ILE 19 -1.777 2.933 0.770
146 HG12 ILE 19 1HG1 ILE 19 -1.356 4.882 2.218
147 HG13 ILE 19 2HG1 ILE 19 -1.463 3.404 3.168
148 HG21 ILE 19 1HG2 ILE 19 -0.106 1.169 0.524
149 HG22 ILE 19 2HG2 ILE 19 -0.727 1.220 2.172
150 HG23 ILE 19 3HG2 ILE 19 0.864 1.889 1.811
151 HD11 ILE 19 1HD1 ILE 19 0.968 3.332 3.343
152 HD12 ILE 19 2HD1 ILE 19 0.326 4.855 3.954
153 HD13 ILE 19 3HD1 ILE 19 1.087 4.792 2.367
154 H LYS 20 H LYS 20 -1.684 3.524 -1.777
155 HA LYS 20 HA LYS 20 -0.623 1.271 -3.079
156 HB2 LYS 20 1HB LYS 20 -2.955 1.892 -3.350
157 HB3 LYS 20 2HB LYS 20 -2.502 3.425 -4.084
158 HG2 LYS 20 1HG LYS 20 -3.258 1.876 -5.779
159 HG3 LYS 20 2HG LYS 20 -1.541 2.221 -5.998
160 HD2 LYS 20 1HD LYS 20 -1.039 0.082 -4.779
161 HD3 LYS 20 2HD LYS 20 -2.770 -0.266 -4.791
162 HE2 LYS 20 1HE LYS 20 -0.989 0.093 -7.206
163 HE3 LYS 20 2HE LYS 20 -1.662 -1.427 -6.618
164 HZ1 LYS 20 1HZ LYS 20 -2.942 -0.600 -8.464
165 HZ2 LYS 20 2HZ LYS 20 -3.206 0.874 -7.686
166 HZ3 LYS 20 3HZ LYS 20 -3.885 -0.543 -7.061
167 H LYS 21 H LYS 21 -0.207 4.731 -3.646
168 HA LYS 21 HA LYS 21 1.223 4.450 -6.086
169 HB2 LYS 21 1HB LYS 21 1.071 6.735 -4.113
170 HB3 LYS 21 2HB LYS 21 1.902 6.838 -5.662
171 HG2 LYS 21 1HG LYS 21 -1.042 6.315 -5.246
172 HG3 LYS 21 2HG LYS 21 -0.311 7.816 -5.821
173 HD2 LYS 21 1HD LYS 21 -0.232 5.140 -7.234
174 HD3 LYS 21 2HD LYS 21 -1.226 6.526 -7.684
175 HE2 LYS 21 1HE LYS 21 0.797 7.838 -8.121
176 HE3 LYS 21 2HE LYS 21 1.796 6.462 -7.653
177 HZ1 LYS 21 1HZ LYS 21 -0.126 6.439 -9.910
178 HZ2 LYS 21 2HZ LYS 21 0.978 5.224 -9.510
179 HZ3 LYS 21 3HZ LYS 21 1.532 6.717 -10.073
180 H LYS 22 H LYS 22 2.250 4.877 -2.719
181 HA LYS 22 HA LYS 22 5.034 4.842 -3.330
182 HB2 LYS 22 1HB LYS 22 3.542 4.362 -0.739
183 HB3 LYS 22 2HB LYS 22 5.299 4.458 -0.857
184 HG2 LYS 22 1HG LYS 22 5.121 6.748 -1.710
185 HG3 LYS 22 2HG LYS 22 3.362 6.657 -1.592
186 HD2 LYS 22 1HD LYS 22 3.478 6.465 0.807
187 HD3 LYS 22 2HD LYS 22 5.240 6.341 0.756
188 HE2 LYS 22 1HE LYS 22 4.540 8.586 1.424
189 HE3 LYS 22 2HE LYS 22 5.382 8.624 -0.124
190 HZ1 LYS 22 1HZ LYS 22 3.170 8.668 -1.210
191 HZ2 LYS 22 2HZ LYS 22 3.480 10.025 -0.259
192 HZ3 LYS 22 3HZ LYS 22 2.451 8.815 0.315
193 H LEU 23 H LEU 23 2.629 2.408 -2.708
194 HA LEU 23 HA LEU 23 4.416 0.218 -2.377
195 HB2 LEU 23 1HB LEU 23 2.005 0.235 -1.682
196 HB3 LEU 23 2HB LEU 23 1.552 0.199 -3.371
197 HG LEU 23 HG LEU 23 1.474 -2.000 -2.015
198 HD11 LEU 23 1HD1 LEU 23 2.093 -3.346 -3.945
199 HD12 LEU 23 2HD1 LEU 23 2.936 -1.970 -4.655
200 HD13 LEU 23 3HD1 LEU 23 1.186 -1.917 -4.439
201 HD21 LEU 23 1HD2 LEU 23 3.544 -3.270 -1.916
202 HD22 LEU 23 2HD2 LEU 23 3.686 -1.778 -0.986
203 HD23 LEU 23 3HD2 LEU 23 4.440 -1.901 -2.576
204 H GLU 24 H GLU 24 3.035 1.903 -5.114
205 HA GLU 24 HA GLU 24 3.608 0.056 -7.152
206 HB2 GLU 24 1HB GLU 24 2.221 2.146 -7.366
207 HB3 GLU 24 2HB GLU 24 3.713 3.075 -7.377
208 HG2 GLU 24 1HG GLU 24 4.415 1.882 -9.416
209 HG3 GLU 24 2HG GLU 24 2.884 1.005 -9.407
210 H LYS 25 H LYS 25 5.566 2.518 -5.575
211 HA LYS 25 HA LYS 25 7.886 2.042 -7.225
212 HB2 LYS 25 1HB LYS 25 7.535 3.611 -4.660
213 HB3 LYS 25 2HB LYS 25 9.036 3.538 -5.574
214 HG2 LYS 25 1HG LYS 25 6.407 4.653 -6.544
215 HG3 LYS 25 2HG LYS 25 7.822 5.583 -6.056
216 HD2 LYS 25 1HD LYS 25 7.834 3.603 -8.338
217 HD3 LYS 25 2HD LYS 25 7.499 5.319 -8.545
218 HE2 LYS 25 1HE LYS 25 9.793 4.961 -9.084
219 HE3 LYS 25 2HE LYS 25 9.740 5.804 -7.539
220 HZ1 LYS 25 1HZ LYS 25 11.365 3.954 -7.657
221 HZ2 LYS 25 2HZ LYS 25 10.081 2.865 -7.800
222 HZ3 LYS 25 3HZ LYS 25 10.248 3.796 -6.397
223 H CYS 26 H CYS 26 6.434 0.211 -5.003
224 HA CYS 26 HA CYS 26 8.937 -1.189 -4.330
225 HB2 CYS 26 2HB CYS 26 6.457 -0.796 -2.639
226 HB3 CYS 26 1HB CYS 26 7.653 -2.041 -2.295
227 H GLN 27 H GLN 27 6.721 -1.240 -6.451
228 HA GLN 27 HA GLN 27 5.701 -3.968 -6.124
229 HB2 GLN 27 1HB GLN 27 4.052 -2.246 -6.650
230 HB3 GLN 27 2HB GLN 27 4.973 -1.757 -8.065
231 HG2 GLN 27 1HG GLN 27 4.574 -3.983 -9.057
232 HG3 GLN 27 2HG GLN 27 3.576 -4.397 -7.663
233 HE21 GLN 27 1HE2 GLN 27 1.582 -3.068 -10.594
234 HE22 GLN 27 2HE2 GLN 27 2.891 -4.196 -10.506
235 H ALA 28 H ALA 28 7.072 -1.935 -8.708
236 HA ALA 28 HA ALA 28 8.108 -4.328 -10.050
237 HB1 ALA 28 1HB ALA 28 7.915 -1.478 -11.038
238 HB2 ALA 28 2HB ALA 28 6.776 -2.773 -11.403
239 HB3 ALA 28 3HB ALA 28 8.437 -2.868 -11.990
Start of MODEL 12
1 H1 ALA 1 1H ALA 1 13.489 -0.592 4.271
2 H2 ALA 1 2H ALA 1 12.678 0.201 3.018
3 H3 ALA 1 3H ALA 1 14.337 0.441 3.238
4 HA ALA 1 HA ALA 1 13.916 -1.014 1.376
5 HB1 ALA 1 1HB ALA 1 15.441 -2.802 2.014
6 HB2 ALA 1 2HB ALA 1 15.173 -2.448 3.721
7 HB3 ALA 1 3HB ALA 1 15.977 -1.264 2.691
8 H GLU 2 H GLU 2 13.416 -3.117 4.217
9 HA GLU 2 HA GLU 2 11.744 -4.877 2.703
10 HB2 GLU 2 1HB GLU 2 13.251 -5.652 4.515
11 HB3 GLU 2 2HB GLU 2 12.255 -4.798 5.686
12 HG2 GLU 2 1HG GLU 2 11.737 -7.157 5.714
13 HG3 GLU 2 2HG GLU 2 10.355 -6.241 5.121
14 H ASP 3 H ASP 3 11.185 -2.067 4.555
15 HA ASP 3 HA ASP 3 8.625 -2.531 5.585
16 HB2 ASP 3 1HB ASP 3 8.402 -0.051 5.623
17 HB3 ASP 3 2HB ASP 3 9.906 -0.633 6.327
18 H CYS 4 H CYS 4 9.596 -2.158 2.326
19 HA CYS 4 HA CYS 4 7.336 -1.133 1.085
20 HB2 CYS 4 2HB CYS 4 9.024 -3.476 0.153
21 HB3 CYS 4 1HB CYS 4 7.959 -2.510 -0.862
22 H GLU 5 H GLU 5 7.954 -4.341 2.387
23 HA GLU 5 HA GLU 5 5.608 -5.617 1.511
24 HB2 GLU 5 1HB GLU 5 7.536 -6.856 2.342
25 HB3 GLU 5 2HB GLU 5 7.353 -6.134 3.932
26 HG2 GLU 5 1HG GLU 5 4.953 -7.531 3.019
27 HG3 GLU 5 2HG GLU 5 6.366 -8.574 3.134
28 H ARG 6 H ARG 6 6.353 -3.756 4.433
29 HA ARG 6 HA ARG 6 3.901 -4.113 5.761
30 HB2 ARG 6 1HB ARG 6 5.749 -3.186 6.982
31 HB3 ARG 6 2HB ARG 6 5.913 -1.853 5.845
32 HG2 ARG 6 1HG ARG 6 3.709 -0.992 6.575
33 HG3 ARG 6 2HG ARG 6 3.614 -2.298 7.756
34 HD2 ARG 6 1HD ARG 6 5.838 -0.263 7.685
35 HD3 ARG 6 2HD ARG 6 4.383 -0.086 8.664
36 HE ARG 6 HE ARG 6 5.299 -2.504 9.426
37 HH11 ARG 6 1HH1 ARG 6 6.927 0.584 9.088
38 HH12 ARG 6 2HH1 ARG 6 7.976 0.322 10.446
39 HH21 ARG 6 1HH2 ARG 6 6.667 -2.837 11.220
40 HH22 ARG 6 2HH2 ARG 6 7.836 -1.625 11.648
41 H ILE 7 H ILE 7 4.993 -1.590 3.512
42 HA ILE 7 HA ILE 7 2.703 0.009 3.543
43 HB ILE 7 HB ILE 7 4.598 -0.474 1.224
44 HG12 ILE 7 1HG1 ILE 7 4.604 1.670 3.373
45 HG13 ILE 7 2HG1 ILE 7 5.730 0.322 3.266
46 HG21 ILE 7 1HG2 ILE 7 3.833 1.698 0.378
47 HG22 ILE 7 2HG2 ILE 7 2.662 1.800 1.693
48 HG23 ILE 7 3HG2 ILE 7 2.508 0.538 0.470
49 HD11 ILE 7 1HD1 ILE 7 6.750 2.361 2.466
50 HD12 ILE 7 2HD1 ILE 7 5.461 2.569 1.278
51 HD13 ILE 7 3HD1 ILE 7 6.574 1.206 1.145
52 H ARG 8 H ARG 8 3.546 -2.723 1.434
53 HA ARG 8 HA ARG 8 1.180 -2.750 -0.096
54 HB2 ARG 8 1HB ARG 8 3.306 -4.054 -0.537
55 HB3 ARG 8 2HB ARG 8 2.800 -5.173 0.717
56 HG2 ARG 8 1HG ARG 8 0.749 -5.655 -0.581
57 HG3 ARG 8 2HG ARG 8 1.339 -4.591 -1.862
58 HD2 ARG 8 1HD ARG 8 1.833 -6.893 -2.421
59 HD3 ARG 8 2HD ARG 8 3.336 -6.027 -2.095
60 HE ARG 8 HE ARG 8 2.046 -7.724 -0.056
61 HH11 ARG 8 1HH1 ARG 8 4.852 -6.828 -1.942
62 HH12 ARG 8 2HH1 ARG 8 5.919 -7.908 -1.104
63 HH21 ARG 8 1HH2 ARG 8 3.456 -9.123 1.066
64 HH22 ARG 8 2HH2 ARG 8 5.127 -9.212 0.609
65 H LYS 9 H LYS 9 2.066 -4.277 2.933
66 HA LYS 9 HA LYS 9 -0.255 -5.837 3.302
67 HB2 LYS 9 1HB LYS 9 1.943 -6.122 4.483
68 HB3 LYS 9 2HB LYS 9 1.562 -4.700 5.443
69 HG2 LYS 9 1HG LYS 9 -0.352 -5.836 6.412
70 HG3 LYS 9 2HG LYS 9 -0.063 -7.245 5.385
71 HD2 LYS 9 1HD LYS 9 1.804 -6.167 7.508
72 HD3 LYS 9 2HD LYS 9 0.813 -7.622 7.634
73 HE2 LYS 9 1HE LYS 9 2.049 -8.659 5.819
74 HE3 LYS 9 2HE LYS 9 2.984 -7.184 5.579
75 HZ1 LYS 9 1HZ LYS 9 3.869 -7.470 7.838
76 HZ2 LYS 9 2HZ LYS 9 4.267 -8.756 6.820
77 HZ3 LYS 9 3HZ LYS 9 3.044 -8.939 7.970
78 H GLU 10 H GLU 10 0.517 -2.504 4.056
79 HA GLU 10 HA GLU 10 -1.890 -1.979 5.526
80 HB2 GLU 10 1HB GLU 10 0.056 -0.130 4.123
81 HB3 GLU 10 2HB GLU 10 -1.296 0.422 5.097
82 HG2 GLU 10 1HG GLU 10 -0.325 -0.675 7.065
83 HG3 GLU 10 2HG GLU 10 1.035 -1.220 6.081
84 H LEU 11 H LEU 11 -0.844 -1.846 2.200
85 HA LEU 11 HA LEU 11 -2.976 -0.283 1.182
86 HB2 LEU 11 1HB LEU 11 -0.753 -0.562 0.106
87 HB3 LEU 11 2HB LEU 11 -1.164 -2.222 -0.270
88 HG LEU 11 HG LEU 11 -2.926 -1.486 -1.785
89 HD11 LEU 11 1HD1 LEU 11 -2.125 1.327 -1.044
90 HD12 LEU 11 2HD1 LEU 11 -3.620 0.522 -0.561
91 HD13 LEU 11 3HD1 LEU 11 -3.312 0.862 -2.263
92 HD21 LEU 11 1HD2 LEU 11 -0.333 -0.022 -2.276
93 HD22 LEU 11 2HD2 LEU 11 -1.541 -0.430 -3.494
94 HD23 LEU 11 3HD2 LEU 11 -0.658 -1.712 -2.664
95 H GLU 12 H GLU 12 -2.453 -3.772 1.476
96 HA GLU 12 HA GLU 12 -4.817 -4.493 0.057
97 HB2 GLU 12 1HB GLU 12 -4.440 -6.759 1.154
98 HB3 GLU 12 2HB GLU 12 -3.140 -6.155 0.141
99 HG2 GLU 12 1HG GLU 12 -1.786 -6.659 1.838
100 HG3 GLU 12 2HG GLU 12 -2.432 -5.226 2.628
101 H LYS 13 H LYS 13 -4.143 -3.643 3.376
102 HA LYS 13 HA LYS 13 -6.712 -4.457 4.400
103 HB2 LYS 13 1HB LYS 13 -4.624 -2.573 5.535
104 HB3 LYS 13 2HB LYS 13 -6.073 -3.074 6.391
105 HG2 LYS 13 1HG LYS 13 -3.850 -4.902 5.486
106 HG3 LYS 13 2HG LYS 13 -4.086 -4.292 7.124
107 HD2 LYS 13 1HD LYS 13 -6.319 -5.412 7.152
108 HD3 LYS 13 2HD LYS 13 -5.932 -6.120 5.580
109 HE2 LYS 13 1HE LYS 13 -4.535 -6.590 8.211
110 HE3 LYS 13 2HE LYS 13 -5.426 -7.761 7.240
111 HZ1 LYS 13 1HZ LYS 13 -3.102 -8.106 6.927
112 HZ2 LYS 13 2HZ LYS 13 -2.839 -6.479 6.563
113 HZ3 LYS 13 3HZ LYS 13 -3.718 -7.452 5.492
114 H ASN 14 H ASN 14 -5.232 -1.483 3.250
115 HA ASN 14 HA ASN 14 -7.852 -0.148 3.256
116 HB2 ASN 14 1HB ASN 14 -6.672 0.647 5.233
117 HB3 ASN 14 2HB ASN 14 -5.231 0.989 4.283
118 HD21 ASN 14 1HD2 ASN 14 -6.352 4.290 4.269
119 HD22 ASN 14 2HD2 ASN 14 -5.203 3.147 4.868
120 HA PRO 15 HA PRO 15 -6.101 0.249 -0.967
121 HB2 PRO 15 2HB PRO 15 -8.948 0.869 -1.536
122 HB3 PRO 15 1HB PRO 15 -7.883 -0.316 -2.300
123 HG2 PRO 15 2HG PRO 15 -9.848 -1.088 -0.657
124 HG3 PRO 15 1HG PRO 15 -8.278 -1.921 -0.666
125 HD2 PRO 15 2HD PRO 15 -9.324 0.136 1.261
126 HD3 PRO 15 1HD PRO 15 -8.435 -1.367 1.594
127 H ASN 16 H ASN 16 -5.190 2.123 -1.551
128 HA ASN 16 HA ASN 16 -6.665 4.596 -1.592
129 HB2 ASN 16 1HB ASN 16 -5.964 4.459 0.801
130 HB3 ASN 16 2HB ASN 16 -4.286 4.347 0.287
131 HD21 ASN 16 1HD2 ASN 16 -5.350 7.864 1.203
132 HD22 ASN 16 2HD2 ASN 16 -5.605 6.333 1.968
133 H ASP 17 H ASP 17 -5.923 5.794 -3.224
134 HA ASP 17 HA ASP 17 -4.068 4.757 -5.038
135 HB2 ASP 17 1HB ASP 17 -5.886 6.318 -5.643
136 HB3 ASP 17 2HB ASP 17 -5.051 7.615 -4.793
137 H GLU 18 H GLU 18 -3.714 7.124 -2.467
138 HA GLU 18 HA GLU 18 -1.132 8.076 -3.087
139 HB2 GLU 18 1HB GLU 18 -2.397 7.769 -0.351
140 HB3 GLU 18 2HB GLU 18 -1.063 8.839 -0.765
141 HG2 GLU 18 1HG GLU 18 -2.485 10.196 -2.134
142 HG3 GLU 18 2HG GLU 18 -3.818 9.052 -1.966
143 H ILE 19 H ILE 19 -2.184 5.544 -0.819
144 HA ILE 19 HA ILE 19 0.388 4.671 -0.081
145 HB ILE 19 HB ILE 19 -2.160 3.022 -0.119
146 HG12 ILE 19 1HG1 ILE 19 -2.462 5.102 1.159
147 HG13 ILE 19 2HG1 ILE 19 -2.427 3.712 2.237
148 HG21 ILE 19 1HG2 ILE 19 -0.168 1.645 0.143
149 HG22 ILE 19 2HG2 ILE 19 -1.061 1.714 1.661
150 HG23 ILE 19 3HG2 ILE 19 0.402 2.678 1.455
151 HD11 ILE 19 1HD1 ILE 19 -0.109 4.233 2.823
152 HD12 ILE 19 2HD1 ILE 19 -1.193 5.580 3.167
153 HD13 ILE 19 3HD1 ILE 19 -0.154 5.628 1.743
154 H LYS 20 H LYS 20 -1.787 3.735 -2.698
155 HA LYS 20 HA LYS 20 -0.332 1.579 -3.721
156 HB2 LYS 20 1HB LYS 20 -2.144 3.593 -5.047
157 HB3 LYS 20 2HB LYS 20 -1.375 2.303 -5.964
158 HG2 LYS 20 1HG LYS 20 -2.466 0.711 -4.282
159 HG3 LYS 20 2HG LYS 20 -3.436 2.099 -3.792
160 HD2 LYS 20 1HD LYS 20 -4.798 1.100 -5.373
161 HD3 LYS 20 2HD LYS 20 -3.954 2.313 -6.338
162 HE2 LYS 20 1HE LYS 20 -3.234 -0.616 -6.140
163 HE3 LYS 20 2HE LYS 20 -4.070 0.144 -7.488
164 HZ1 LYS 20 1HZ LYS 20 -1.284 0.674 -6.614
165 HZ2 LYS 20 2HZ LYS 20 -2.075 1.509 -7.852
166 HZ3 LYS 20 3HZ LYS 20 -1.763 -0.145 -8.011
167 H LYS 21 H LYS 21 -0.055 5.085 -4.373
168 HA LYS 21 HA LYS 21 2.035 4.994 -6.242
169 HB2 LYS 21 1HB LYS 21 1.588 7.090 -4.097
170 HB3 LYS 21 2HB LYS 21 2.599 7.285 -5.522
171 HG2 LYS 21 1HG LYS 21 0.605 7.086 -6.946
172 HG3 LYS 21 2HG LYS 21 -0.395 6.930 -5.500
173 HD2 LYS 21 1HD LYS 21 0.551 9.163 -4.755
174 HD3 LYS 21 2HD LYS 21 1.235 9.314 -6.373
175 HE2 LYS 21 1HE LYS 21 -1.693 9.010 -5.704
176 HE3 LYS 21 2HE LYS 21 -0.889 10.505 -6.178
177 HZ1 LYS 21 1HZ LYS 21 -0.439 9.595 -8.330
178 HZ2 LYS 21 2HZ LYS 21 -2.088 9.400 -8.007
179 HZ3 LYS 21 3HZ LYS 21 -1.046 8.083 -7.882
180 H LYS 22 H LYS 22 2.091 5.185 -2.705
181 HA LYS 22 HA LYS 22 4.922 5.164 -2.466
182 HB2 LYS 22 1HB LYS 22 2.661 4.674 -0.552
183 HB3 LYS 22 2HB LYS 22 4.318 4.374 -0.049
184 HG2 LYS 22 1HG LYS 22 3.938 6.981 -1.335
185 HG3 LYS 22 2HG LYS 22 3.003 6.776 0.144
186 HD2 LYS 22 1HD LYS 22 5.259 7.782 0.507
187 HD3 LYS 22 2HD LYS 22 4.993 6.296 1.413
188 HE2 LYS 22 1HE LYS 22 7.225 6.303 0.479
189 HE3 LYS 22 2HE LYS 22 6.265 5.051 -0.302
190 HZ1 LYS 22 1HZ LYS 22 5.955 6.529 -2.192
191 HZ2 LYS 22 2HZ LYS 22 7.599 6.279 -1.893
192 HZ3 LYS 22 3HZ LYS 22 6.869 7.733 -1.434
193 H LEU 23 H LEU 23 2.627 2.648 -3.012
194 HA LEU 23 HA LEU 23 4.454 0.525 -2.320
195 HB2 LEU 23 1HB LEU 23 1.916 0.360 -2.284
196 HB3 LEU 23 2HB LEU 23 1.965 0.338 -4.035
197 HG LEU 23 HG LEU 23 1.725 -1.911 -2.825
198 HD11 LEU 23 1HD1 LEU 23 3.119 -3.109 -4.420
199 HD12 LEU 23 2HD1 LEU 23 3.998 -1.625 -4.791
200 HD13 LEU 23 3HD1 LEU 23 2.289 -1.763 -5.201
201 HD21 LEU 23 1HD2 LEU 23 3.405 -1.510 -1.095
202 HD22 LEU 23 2HD2 LEU 23 4.668 -1.471 -2.326
203 HD23 LEU 23 3HD2 LEU 23 3.772 -2.959 -2.031
204 H GLU 24 H GLU 24 3.462 2.260 -5.233
205 HA GLU 24 HA GLU 24 4.898 0.684 -7.094
206 HB2 GLU 24 1HB GLU 24 4.144 3.618 -7.259
207 HB3 GLU 24 2HB GLU 24 4.704 2.637 -8.605
208 HG2 GLU 24 1HG GLU 24 2.130 2.343 -7.076
209 HG3 GLU 24 2HG GLU 24 2.332 2.854 -8.748
210 H LYS 25 H LYS 25 5.771 3.390 -5.047
211 HA LYS 25 HA LYS 25 8.591 2.797 -5.554
212 HB2 LYS 25 1HB LYS 25 9.074 5.292 -5.488
213 HB3 LYS 25 2HB LYS 25 8.312 4.687 -6.952
214 HG2 LYS 25 1HG LYS 25 6.104 5.452 -5.955
215 HG3 LYS 25 2HG LYS 25 7.063 6.296 -4.738
216 HD2 LYS 25 1HD LYS 25 7.498 6.710 -7.693
217 HD3 LYS 25 2HD LYS 25 6.305 7.636 -6.788
218 HE2 LYS 25 1HE LYS 25 8.420 8.856 -7.021
219 HE3 LYS 25 2HE LYS 25 8.045 8.515 -5.335
220 HZ1 LYS 25 1HZ LYS 25 10.409 8.154 -6.055
221 HZ2 LYS 25 2HZ LYS 25 9.876 6.809 -6.925
222 HZ3 LYS 25 3HZ LYS 25 9.686 6.865 -5.246
223 H CYS 26 H CYS 26 8.776 1.784 -3.635
224 HA CYS 26 HA CYS 26 7.889 3.103 -1.176
225 HB2 CYS 26 2HB CYS 26 8.336 0.907 -0.124
226 HB3 CYS 26 1HB CYS 26 7.232 0.773 -1.491
227 H GLN 27 H GLN 27 10.791 2.087 -2.850
228 HA GLN 27 HA GLN 27 12.664 2.410 -0.776
229 HB2 GLN 27 1HB GLN 27 13.144 1.356 -2.991
230 HB3 GLN 27 2HB GLN 27 13.063 2.946 -3.738
231 HG2 GLN 27 1HG GLN 27 15.354 2.449 -3.454
232 HG3 GLN 27 2HG GLN 27 14.950 3.638 -2.216
233 HE21 GLN 27 1HE2 GLN 27 16.189 -0.089 -1.226
234 HE22 GLN 27 2HE2 GLN 27 15.851 0.361 -2.859
235 H ALA 28 H ALA 28 11.032 4.642 -2.873
236 HA ALA 28 HA ALA 28 11.913 6.871 -1.207
237 HB1 ALA 28 1HB ALA 28 12.074 6.912 -4.233
238 HB2 ALA 28 2HB ALA 28 13.446 6.896 -3.124
239 HB3 ALA 28 3HB ALA 28 12.363 8.287 -3.165
Start of MODEL 13
1 H1 ALA 1 1H ALA 1 11.737 5.430 8.663
2 H2 ALA 1 2H ALA 1 11.326 6.443 7.376
3 H3 ALA 1 3H ALA 1 12.888 6.476 8.010
4 HA ALA 1 HA ALA 1 12.836 5.299 5.921
5 HB1 ALA 1 1HB ALA 1 13.970 3.265 6.654
6 HB2 ALA 1 2HB ALA 1 13.328 3.476 8.283
7 HB3 ALA 1 3HB ALA 1 14.477 4.644 7.630
8 H GLU 2 H GLU 2 11.554 4.267 4.540
9 HA GLU 2 HA GLU 2 9.114 3.014 5.494
10 HB2 GLU 2 1HB GLU 2 10.093 3.497 2.664
11 HB3 GLU 2 2HB GLU 2 8.480 2.960 3.116
12 HG2 GLU 2 1HG GLU 2 9.736 5.630 3.728
13 HG3 GLU 2 2HG GLU 2 8.436 5.304 2.583
14 H ASP 3 H ASP 3 8.438 0.915 4.780
15 HA ASP 3 HA ASP 3 10.571 -0.904 3.870
16 HB2 ASP 3 1HB ASP 3 10.311 -1.151 6.329
17 HB3 ASP 3 2HB ASP 3 8.599 -1.496 6.105
18 H CYS 4 H CYS 4 9.917 -1.914 2.069
19 HA CYS 4 HA CYS 4 7.472 -1.332 0.876
20 HB2 CYS 4 2HB CYS 4 9.515 -3.455 0.228
21 HB3 CYS 4 1HB CYS 4 8.122 -3.108 -0.793
22 H GLU 5 H GLU 5 8.455 -4.269 2.618
23 HA GLU 5 HA GLU 5 6.148 -5.770 1.974
24 HB2 GLU 5 1HB GLU 5 8.129 -6.874 2.838
25 HB3 GLU 5 2HB GLU 5 8.010 -5.980 4.349
26 HG2 GLU 5 1HG GLU 5 5.958 -7.124 4.916
27 HG3 GLU 5 2HG GLU 5 5.949 -7.942 3.353
28 H ARG 6 H ARG 6 6.927 -3.657 4.705
29 HA ARG 6 HA ARG 6 4.530 -4.057 6.142
30 HB2 ARG 6 1HB ARG 6 6.383 -1.662 6.089
31 HB3 ARG 6 2HB ARG 6 5.107 -1.914 7.274
32 HG2 ARG 6 1HG ARG 6 7.501 -3.707 6.863
33 HG3 ARG 6 2HG ARG 6 7.303 -2.525 8.159
34 HD2 ARG 6 1HD ARG 6 5.438 -3.742 9.062
35 HD3 ARG 6 2HD ARG 6 5.430 -4.845 7.686
36 HE ARG 6 HE ARG 6 7.805 -5.407 8.565
37 HH11 ARG 6 1HH1 ARG 6 5.047 -4.603 10.561
38 HH12 ARG 6 2HH1 ARG 6 5.523 -5.632 11.870
39 HH21 ARG 6 1HH2 ARG 6 8.458 -6.754 10.304
40 HH22 ARG 6 2HH2 ARG 6 7.467 -6.857 11.728
41 H ILE 7 H ILE 7 5.458 -1.665 3.691
42 HA ILE 7 HA ILE 7 3.047 -0.187 3.761
43 HB ILE 7 HB ILE 7 5.009 -0.481 1.471
44 HG12 ILE 7 1HG1 ILE 7 4.814 1.636 3.637
45 HG13 ILE 7 2HG1 ILE 7 6.039 0.377 3.551
46 HG21 ILE 7 1HG2 ILE 7 2.845 0.377 0.713
47 HG22 ILE 7 2HG2 ILE 7 4.078 1.636 0.646
48 HG23 ILE 7 3HG2 ILE 7 2.896 1.628 1.956
49 HD11 ILE 7 1HD1 ILE 7 6.863 1.327 1.455
50 HD12 ILE 7 2HD1 ILE 7 6.909 2.498 2.773
51 HD13 ILE 7 3HD1 ILE 7 5.638 2.594 1.553
52 H ARG 8 H ARG 8 4.095 -2.967 1.811
53 HA ARG 8 HA ARG 8 1.890 -3.123 0.091
54 HB2 ARG 8 1HB ARG 8 3.740 -5.243 1.170
55 HB3 ARG 8 2HB ARG 8 2.427 -5.651 0.075
56 HG2 ARG 8 1HG ARG 8 3.438 -4.004 -1.544
57 HG3 ARG 8 2HG ARG 8 4.828 -3.921 -0.457
58 HD2 ARG 8 1HD ARG 8 3.791 -6.353 -1.907
59 HD3 ARG 8 2HD ARG 8 5.300 -5.497 -2.219
60 HE ARG 8 HE ARG 8 4.706 -7.148 0.152
61 HH11 ARG 8 1HH1 ARG 8 7.032 -5.559 -1.937
62 HH12 ARG 8 2HH1 ARG 8 8.404 -6.319 -1.193
63 HH21 ARG 8 1HH2 ARG 8 6.496 -8.194 1.084
64 HH22 ARG 8 2HH2 ARG 8 8.099 -7.838 0.513
65 H LYS 9 H LYS 9 2.456 -4.813 3.190
66 HA LYS 9 HA LYS 9 -0.084 -6.040 3.267
67 HB2 LYS 9 1HB LYS 9 1.936 -6.747 4.596
68 HB3 LYS 9 2HB LYS 9 1.671 -5.357 5.640
69 HG2 LYS 9 1HG LYS 9 0.777 -7.382 6.652
70 HG3 LYS 9 2HG LYS 9 -0.524 -6.246 6.279
71 HD2 LYS 9 1HD LYS 9 -1.006 -7.518 4.206
72 HD3 LYS 9 2HD LYS 9 0.256 -8.672 4.641
73 HE2 LYS 9 1HE LYS 9 -2.216 -8.090 6.277
74 HE3 LYS 9 2HE LYS 9 -2.005 -9.478 5.210
75 HZ1 LYS 9 1HZ LYS 9 -0.407 -8.874 7.639
76 HZ2 LYS 9 2HZ LYS 9 -0.118 -10.164 6.587
77 HZ3 LYS 9 3HZ LYS 9 -1.556 -10.103 7.467
78 H GLU 10 H GLU 10 1.079 -2.939 4.462
79 HA GLU 10 HA GLU 10 -1.197 -2.246 5.962
80 HB2 GLU 10 1HB GLU 10 0.982 -1.122 6.214
81 HB3 GLU 10 2HB GLU 10 0.839 -0.470 4.584
82 HG2 GLU 10 1HG GLU 10 -1.039 0.855 5.212
83 HG3 GLU 10 2HG GLU 10 -1.101 0.096 6.801
84 H LEU 11 H LEU 11 -0.327 -1.921 2.570
85 HA LEU 11 HA LEU 11 -2.570 -0.303 1.842
86 HB2 LEU 11 1HB LEU 11 -0.401 -0.538 0.556
87 HB3 LEU 11 2HB LEU 11 -0.932 -2.131 0.065
88 HG LEU 11 HG LEU 11 -1.220 -0.264 -1.634
89 HD11 LEU 11 1HD1 LEU 11 -2.398 -2.396 -1.861
90 HD12 LEU 11 2HD1 LEU 11 -3.378 -1.049 -2.439
91 HD13 LEU 11 3HD1 LEU 11 -3.721 -1.780 -0.870
92 HD21 LEU 11 1HD2 LEU 11 -1.997 1.469 -0.098
93 HD22 LEU 11 2HD2 LEU 11 -3.469 0.549 0.213
94 HD23 LEU 11 3HD2 LEU 11 -3.157 1.198 -1.397
95 H GLU 12 H GLU 12 -1.854 -3.740 1.924
96 HA GLU 12 HA GLU 12 -4.210 -4.719 0.756
97 HB2 GLU 12 1HB GLU 12 -2.424 -5.934 2.878
98 HB3 GLU 12 2HB GLU 12 -3.701 -6.809 2.043
99 HG2 GLU 12 1HG GLU 12 -1.297 -5.556 0.728
100 HG3 GLU 12 2HG GLU 12 -1.479 -7.265 1.114
101 H LYS 13 H LYS 13 -3.463 -3.706 4.040
102 HA LYS 13 HA LYS 13 -5.995 -4.583 5.100
103 HB2 LYS 13 1HB LYS 13 -3.988 -4.532 6.519
104 HB3 LYS 13 2HB LYS 13 -3.861 -2.795 6.298
105 HG2 LYS 13 1HG LYS 13 -4.813 -2.987 8.400
106 HG3 LYS 13 2HG LYS 13 -6.209 -2.692 7.368
107 HD2 LYS 13 1HD LYS 13 -5.315 -5.446 8.252
108 HD3 LYS 13 2HD LYS 13 -6.520 -4.486 9.108
109 HE2 LYS 13 1HE LYS 13 -6.724 -5.496 6.265
110 HE3 LYS 13 2HE LYS 13 -7.592 -6.127 7.662
111 HZ1 LYS 13 1HZ LYS 13 -8.977 -4.657 6.345
112 HZ2 LYS 13 2HZ LYS 13 -7.878 -3.388 6.550
113 HZ3 LYS 13 3HZ LYS 13 -8.715 -4.000 7.881
114 H ASN 14 H ASN 14 -4.530 -1.504 4.182
115 HA ASN 14 HA ASN 14 -7.183 -0.220 4.338
116 HB2 ASN 14 1HB ASN 14 -4.490 1.042 4.942
117 HB3 ASN 14 2HB ASN 14 -6.029 1.894 4.923
118 HD21 ASN 14 1HD2 ASN 14 -4.940 0.842 8.393
119 HD22 ASN 14 2HD2 ASN 14 -4.086 1.574 7.079
120 HA PRO 15 HA PRO 15 -5.986 0.166 -0.047
121 HB2 PRO 15 2HB PRO 15 -8.816 0.904 -0.385
122 HB3 PRO 15 1HB PRO 15 -7.912 -0.421 -1.123
123 HG2 PRO 15 2HG PRO 15 -9.805 -0.834 0.763
124 HG3 PRO 15 1HG PRO 15 -8.378 -1.874 0.608
125 HD2 PRO 15 2HD PRO 15 -8.915 0.333 2.564
126 HD3 PRO 15 1HD PRO 15 -8.137 -1.244 2.828
127 H ASN 16 H ASN 16 -4.983 1.999 -0.595
128 HA ASN 16 HA ASN 16 -6.427 4.518 -0.574
129 HB2 ASN 16 1HB ASN 16 -5.437 4.540 1.647
130 HB3 ASN 16 2HB ASN 16 -3.859 4.126 0.988
131 HD21 ASN 16 1HD2 ASN 16 -5.252 7.948 0.812
132 HD22 ASN 16 2HD2 ASN 16 -6.300 6.626 1.206
133 H ASP 17 H ASP 17 -5.957 5.683 -2.300
134 HA ASP 17 HA ASP 17 -4.462 4.717 -4.422
135 HB2 ASP 17 1HB ASP 17 -5.419 7.508 -3.770
136 HB3 ASP 17 2HB ASP 17 -4.594 7.126 -5.277
137 H GLU 18 H GLU 18 -3.595 7.383 -2.212
138 HA GLU 18 HA GLU 18 -1.137 8.018 -3.344
139 HB2 GLU 18 1HB GLU 18 -2.196 8.314 -0.538
140 HB3 GLU 18 2HB GLU 18 -0.581 8.861 -0.966
141 HG2 GLU 18 1HG GLU 18 -2.309 10.648 -1.004
142 HG3 GLU 18 2HG GLU 18 -1.440 10.450 -2.523
143 H ILE 19 H ILE 19 -1.739 5.900 -0.534
144 HA ILE 19 HA ILE 19 0.895 5.110 -0.091
145 HB ILE 19 HB ILE 19 -1.641 3.515 0.376
146 HG12 ILE 19 1HG1 ILE 19 -1.616 5.683 1.542
147 HG13 ILE 19 2HG1 ILE 19 -1.479 4.352 2.686
148 HG21 ILE 19 1HG2 ILE 19 1.128 3.099 1.518
149 HG22 ILE 19 2HG2 ILE 19 0.285 2.033 0.394
150 HG23 ILE 19 3HG2 ILE 19 -0.327 2.245 2.034
151 HD11 ILE 19 1HD1 ILE 19 0.783 6.083 1.709
152 HD12 ILE 19 2HD1 ILE 19 0.927 4.752 2.857
153 HD13 ILE 19 3HD1 ILE 19 -0.007 6.185 3.281
154 H LYS 20 H LYS 20 -1.578 3.682 -2.195
155 HA LYS 20 HA LYS 20 -0.073 1.456 -3.052
156 HB2 LYS 20 1HB LYS 20 -2.546 1.734 -3.324
157 HB3 LYS 20 2HB LYS 20 -2.240 2.923 -4.580
158 HG2 LYS 20 1HG LYS 20 -1.059 1.167 -5.885
159 HG3 LYS 20 2HG LYS 20 -1.516 -0.004 -4.650
160 HD2 LYS 20 1HD LYS 20 -3.079 -0.153 -6.482
161 HD3 LYS 20 2HD LYS 20 -3.906 0.540 -5.085
162 HE2 LYS 20 1HE LYS 20 -4.552 1.770 -7.048
163 HE3 LYS 20 2HE LYS 20 -3.521 2.806 -6.063
164 HZ1 LYS 20 1HZ LYS 20 -2.841 3.015 -8.313
165 HZ2 LYS 20 2HZ LYS 20 -2.769 1.343 -8.530
166 HZ3 LYS 20 3HZ LYS 20 -1.645 2.111 -7.531
167 H LYS 21 H LYS 21 -0.339 4.761 -4.270
168 HA LYS 21 HA LYS 21 1.148 4.259 -6.664
169 HB2 LYS 21 1HB LYS 21 0.245 6.807 -5.312
170 HB3 LYS 21 2HB LYS 21 1.189 6.810 -6.797
171 HG2 LYS 21 1HG LYS 21 -0.556 5.544 -7.938
172 HG3 LYS 21 2HG LYS 21 -1.496 5.468 -6.449
173 HD2 LYS 21 1HD LYS 21 -0.741 8.036 -7.864
174 HD3 LYS 21 2HD LYS 21 -2.282 7.201 -8.072
175 HE2 LYS 21 1HE LYS 21 -2.630 7.416 -5.600
176 HE3 LYS 21 2HE LYS 21 -1.192 8.430 -5.542
177 HZ1 LYS 21 1HZ LYS 21 -2.272 9.985 -7.035
178 HZ2 LYS 21 2HZ LYS 21 -3.211 9.744 -5.654
179 HZ3 LYS 21 3HZ LYS 21 -3.647 9.006 -7.110
180 H LYS 22 H LYS 22 1.988 5.273 -3.414
181 HA LYS 22 HA LYS 22 4.721 5.888 -4.090
182 HB2 LYS 22 1HB LYS 22 3.200 5.579 -1.527
183 HB3 LYS 22 2HB LYS 22 4.953 5.479 -1.475
184 HG2 LYS 22 1HG LYS 22 4.333 7.723 -0.982
185 HG3 LYS 22 2HG LYS 22 5.051 7.707 -2.594
186 HD2 LYS 22 1HD LYS 22 2.727 7.644 -3.537
187 HD3 LYS 22 2HD LYS 22 2.116 7.865 -1.894
188 HE2 LYS 22 1HE LYS 22 3.801 9.770 -3.513
189 HE3 LYS 22 2HE LYS 22 2.154 10.009 -2.932
190 HZ1 LYS 22 1HZ LYS 22 3.717 11.225 -1.575
191 HZ2 LYS 22 2HZ LYS 22 4.593 9.819 -1.247
192 HZ3 LYS 22 3HZ LYS 22 3.022 9.987 -0.653
193 H LEU 23 H LEU 23 2.938 3.099 -2.932
194 HA LEU 23 HA LEU 23 5.069 1.348 -2.440
195 HB2 LEU 23 1HB LEU 23 2.619 1.030 -1.878
196 HB3 LEU 23 2HB LEU 23 2.346 0.621 -3.556
197 HG LEU 23 HG LEU 23 2.507 -1.320 -1.929
198 HD11 LEU 23 1HD1 LEU 23 4.454 -1.344 -4.236
199 HD12 LEU 23 2HD1 LEU 23 2.721 -1.645 -4.340
200 HD13 LEU 23 3HD1 LEU 23 3.755 -2.755 -3.445
201 HD21 LEU 23 1HD2 LEU 23 4.414 -0.394 -0.627
202 HD22 LEU 23 2HD2 LEU 23 5.469 -0.726 -2.002
203 HD23 LEU 23 3HD2 LEU 23 4.664 -2.051 -1.166
204 H GLU 24 H GLU 24 3.483 2.354 -5.374
205 HA GLU 24 HA GLU 24 4.396 0.456 -7.189
206 HB2 GLU 24 1HB GLU 24 2.709 2.352 -7.530
207 HB3 GLU 24 2HB GLU 24 4.091 3.405 -7.803
208 HG2 GLU 24 1HG GLU 24 3.238 2.727 -9.921
209 HG3 GLU 24 2HG GLU 24 4.779 1.909 -9.675
210 H LYS 25 H LYS 25 6.048 3.144 -5.710
211 HA LYS 25 HA LYS 25 8.431 2.684 -7.394
212 HB2 LYS 25 1HB LYS 25 7.363 4.970 -7.483
213 HB3 LYS 25 2HB LYS 25 7.745 5.159 -5.777
214 HG2 LYS 25 1HG LYS 25 9.390 6.318 -7.099
215 HG3 LYS 25 2HG LYS 25 10.152 4.931 -6.320
216 HD2 LYS 25 1HD LYS 25 9.969 3.657 -8.412
217 HD3 LYS 25 2HD LYS 25 9.189 5.037 -9.188
218 HE2 LYS 25 1HE LYS 25 11.508 4.992 -9.828
219 HE3 LYS 25 2HE LYS 25 11.240 6.373 -8.767
220 HZ1 LYS 25 1HZ LYS 25 12.245 5.196 -6.957
221 HZ2 LYS 25 2HZ LYS 25 13.290 5.100 -8.283
222 HZ3 LYS 25 3HZ LYS 25 12.341 3.768 -7.860
223 H CYS 26 H CYS 26 7.377 1.440 -4.755
224 HA CYS 26 HA CYS 26 9.131 2.280 -2.698
225 HB2 CYS 26 2HB CYS 26 6.958 1.065 -2.327
226 HB3 CYS 26 1HB CYS 26 7.756 -0.405 -2.878
227 H GLN 27 H GLN 27 11.150 2.300 -3.527
228 HA GLN 27 HA GLN 27 12.641 -0.097 -3.134
229 HB2 GLN 27 1HB GLN 27 11.998 -0.411 -5.494
230 HB3 GLN 27 2HB GLN 27 12.637 1.181 -5.886
231 HG2 GLN 27 1HG GLN 27 14.879 0.426 -5.201
232 HG3 GLN 27 2HG GLN 27 14.214 -1.176 -4.893
233 HE21 GLN 27 1HE2 GLN 27 15.759 -0.875 -8.325
234 HE22 GLN 27 2HE2 GLN 27 16.297 -0.386 -6.756
235 H ALA 28 H ALA 28 12.723 3.102 -4.644
236 HA ALA 28 HA ALA 28 14.529 4.177 -2.711
237 HB1 ALA 28 1HB ALA 28 16.146 2.921 -4.057
238 HB2 ALA 28 2HB ALA 28 16.382 4.658 -4.251
239 HB3 ALA 28 3HB ALA 28 15.575 3.733 -5.515
Start of MODEL 14
1 H1 ALA 1 1H ALA 1 14.907 0.786 -1.748
2 H2 ALA 1 2H ALA 1 13.730 1.668 -0.917
3 H3 ALA 1 3H ALA 1 13.787 1.716 -2.604
4 HA ALA 1 HA ALA 1 11.995 0.314 -1.904
5 HB1 ALA 1 1HB ALA 1 14.288 -1.304 -3.022
6 HB2 ALA 1 2HB ALA 1 13.200 -0.283 -3.963
7 HB3 ALA 1 3HB ALA 1 12.574 -1.710 -3.134
8 H GLU 2 H GLU 2 11.887 0.341 0.368
9 HA GLU 2 HA GLU 2 12.483 -2.220 1.570
10 HB2 GLU 2 1HB GLU 2 13.476 -1.190 3.619
11 HB3 GLU 2 2HB GLU 2 14.510 -1.074 2.204
12 HG2 GLU 2 1HG GLU 2 12.742 1.172 3.163
13 HG3 GLU 2 2HG GLU 2 14.419 0.967 3.662
14 H ASP 3 H ASP 3 11.253 -2.536 3.546
15 HA ASP 3 HA ASP 3 9.269 -2.605 4.596
16 HB2 ASP 3 1HB ASP 3 9.741 0.356 4.395
17 HB3 ASP 3 2HB ASP 3 8.251 -0.268 5.081
18 H CYS 4 H CYS 4 9.476 -2.442 1.573
19 HA CYS 4 HA CYS 4 7.097 -1.311 0.569
20 HB2 CYS 4 2HB CYS 4 8.714 -3.639 -0.507
21 HB3 CYS 4 1HB CYS 4 7.508 -2.726 -1.409
22 H GLU 5 H GLU 5 7.878 -4.400 2.034
23 HA GLU 5 HA GLU 5 5.389 -5.670 1.565
24 HB2 GLU 5 1HB GLU 5 7.535 -6.067 3.652
25 HB3 GLU 5 2HB GLU 5 6.070 -7.040 3.625
26 HG2 GLU 5 1HG GLU 5 8.040 -6.825 1.353
27 HG3 GLU 5 2HG GLU 5 7.987 -8.135 2.532
28 H ARG 6 H ARG 6 6.530 -3.438 4.012
29 HA ARG 6 HA ARG 6 4.340 -3.688 5.798
30 HB2 ARG 6 1HB ARG 6 6.570 -2.607 6.312
31 HB3 ARG 6 2HB ARG 6 6.065 -1.235 5.338
32 HG2 ARG 6 1HG ARG 6 5.203 -0.347 7.189
33 HG3 ARG 6 2HG ARG 6 3.970 -1.607 7.146
34 HD2 ARG 6 1HD ARG 6 4.984 -1.588 9.328
35 HD3 ARG 6 2HD ARG 6 5.482 -3.059 8.490
36 HE ARG 6 HE ARG 6 7.479 -1.300 7.936
37 HH11 ARG 6 1HH1 ARG 6 6.045 -2.480 10.911
38 HH12 ARG 6 2HH1 ARG 6 7.477 -2.194 11.856
39 HH21 ARG 6 1HH2 ARG 6 9.354 -0.961 9.160
40 HH22 ARG 6 2HH2 ARG 6 9.358 -1.319 10.860
41 H ILE 7 H ILE 7 5.097 -1.315 3.257
42 HA ILE 7 HA ILE 7 2.681 0.111 3.325
43 HB ILE 7 HB ILE 7 4.475 -0.363 0.926
44 HG12 ILE 7 1HG1 ILE 7 4.540 1.864 2.984
45 HG13 ILE 7 2HG1 ILE 7 5.705 0.551 2.867
46 HG21 ILE 7 1HG2 ILE 7 3.553 1.746 0.070
47 HG22 ILE 7 2HG2 ILE 7 2.478 1.844 1.465
48 HG23 ILE 7 3HG2 ILE 7 2.292 0.535 0.297
49 HD11 ILE 7 1HD1 ILE 7 5.235 2.692 0.797
50 HD12 ILE 7 2HD1 ILE 7 6.391 1.366 0.663
51 HD13 ILE 7 3HD1 ILE 7 6.594 2.591 1.914
52 H ARG 8 H ARG 8 3.711 -2.633 1.360
53 HA ARG 8 HA ARG 8 1.530 -3.182 -0.188
54 HB2 ARG 8 1HB ARG 8 3.651 -4.436 -0.214
55 HB3 ARG 8 2HB ARG 8 3.238 -5.162 1.331
56 HG2 ARG 8 1HG ARG 8 1.323 -6.283 0.289
57 HG3 ARG 8 2HG ARG 8 1.756 -5.565 -1.265
58 HD2 ARG 8 1HD ARG 8 3.907 -6.716 -1.216
59 HD3 ARG 8 2HD ARG 8 3.522 -7.401 0.360
60 HE ARG 8 HE ARG 8 1.518 -8.119 -1.482
61 HH11 ARG 8 1HH1 ARG 8 4.887 -8.791 -0.741
62 HH12 ARG 8 2HH1 ARG 8 4.835 -10.393 -1.416
63 HH21 ARG 8 1HH2 ARG 8 1.469 -10.233 -2.352
64 HH22 ARG 8 2HH2 ARG 8 2.907 -11.205 -2.318
65 H LYS 9 H LYS 9 2.086 -4.389 3.120
66 HA LYS 9 HA LYS 9 -0.353 -5.736 3.364
67 HB2 LYS 9 1HB LYS 9 1.523 -6.151 4.882
68 HB3 LYS 9 2HB LYS 9 1.358 -4.534 5.554
69 HG2 LYS 9 1HG LYS 9 -0.841 -5.090 6.435
70 HG3 LYS 9 2HG LYS 9 -0.749 -6.691 5.702
71 HD2 LYS 9 1HD LYS 9 1.103 -5.635 7.848
72 HD3 LYS 9 2HD LYS 9 -0.243 -6.742 8.107
73 HE2 LYS 9 1HE LYS 9 0.853 -8.357 6.572
74 HE3 LYS 9 2HE LYS 9 2.234 -7.267 6.464
75 HZ1 LYS 9 1HZ LYS 9 2.573 -7.501 8.833
76 HZ2 LYS 9 2HZ LYS 9 2.581 -9.022 8.091
77 HZ3 LYS 9 3HZ LYS 9 1.220 -8.513 8.963
78 H GLU 10 H GLU 10 0.575 -2.476 4.468
79 HA GLU 10 HA GLU 10 -1.906 -1.769 5.553
80 HB2 GLU 10 1HB GLU 10 0.514 -0.307 4.679
81 HB3 GLU 10 2HB GLU 10 -0.962 0.645 4.694
82 HG2 GLU 10 1HG GLU 10 0.248 0.873 6.786
83 HG3 GLU 10 2HG GLU 10 -1.317 0.111 7.041
84 H LEU 11 H LEU 11 -0.808 -1.775 2.219
85 HA LEU 11 HA LEU 11 -3.021 -0.284 1.189
86 HB2 LEU 11 1HB LEU 11 -0.866 -0.524 -0.009
87 HB3 LEU 11 2HB LEU 11 -1.196 -2.232 -0.233
88 HG LEU 11 HG LEU 11 -3.134 -1.685 -1.645
89 HD11 LEU 11 1HD1 LEU 11 -3.563 0.612 -2.351
90 HD12 LEU 11 2HD1 LEU 11 -2.326 1.189 -1.236
91 HD13 LEU 11 3HD1 LEU 11 -3.784 0.420 -0.610
92 HD21 LEU 11 1HD2 LEU 11 -0.609 -0.271 -2.504
93 HD22 LEU 11 2HD2 LEU 11 -1.917 -0.790 -3.566
94 HD23 LEU 11 3HD2 LEU 11 -0.959 -1.991 -2.702
95 H GLU 12 H GLU 12 -2.303 -3.707 1.650
96 HA GLU 12 HA GLU 12 -4.726 -4.675 0.507
97 HB2 GLU 12 1HB GLU 12 -2.807 -5.944 2.479
98 HB3 GLU 12 2HB GLU 12 -4.157 -6.788 1.732
99 HG2 GLU 12 1HG GLU 12 -3.171 -6.391 -0.484
100 HG3 GLU 12 2HG GLU 12 -1.806 -5.576 0.280
101 H LYS 13 H LYS 13 -3.804 -3.461 3.625
102 HA LYS 13 HA LYS 13 -6.224 -4.306 4.965
103 HB2 LYS 13 1HB LYS 13 -3.949 -2.483 5.767
104 HB3 LYS 13 2HB LYS 13 -5.338 -2.788 6.802
105 HG2 LYS 13 1HG LYS 13 -3.502 -4.940 5.760
106 HG3 LYS 13 2HG LYS 13 -3.324 -4.159 7.332
107 HD2 LYS 13 1HD LYS 13 -5.753 -5.711 6.409
108 HD3 LYS 13 2HD LYS 13 -4.499 -6.322 7.489
109 HE2 LYS 13 1HE LYS 13 -6.293 -3.953 8.041
110 HE3 LYS 13 2HE LYS 13 -6.486 -5.567 8.725
111 HZ1 LYS 13 1HZ LYS 13 -4.129 -3.802 9.139
112 HZ2 LYS 13 2HZ LYS 13 -4.353 -5.335 9.817
113 HZ3 LYS 13 3HZ LYS 13 -5.372 -4.060 10.259
114 H ASN 14 H ASN 14 -5.048 -1.510 3.267
115 HA ASN 14 HA ASN 14 -7.687 -0.278 3.379
116 HB2 ASN 14 1HB ASN 14 -6.517 0.735 5.284
117 HB3 ASN 14 2HB ASN 14 -5.161 1.164 4.247
118 HD21 ASN 14 1HD2 ASN 14 -8.543 3.418 4.302
119 HD22 ASN 14 2HD2 ASN 14 -8.479 1.874 5.072
120 HA PRO 15 HA PRO 15 -5.986 -0.125 -0.818
121 HB2 PRO 15 2HB PRO 15 -8.352 -0.047 -2.122
122 HB3 PRO 15 1HB PRO 15 -7.721 -1.539 -1.411
123 HG2 PRO 15 2HG PRO 15 -9.788 0.349 -0.329
124 HG3 PRO 15 1HG PRO 15 -9.791 -1.425 -0.345
125 HD2 PRO 15 2HD PRO 15 -9.095 0.056 1.845
126 HD3 PRO 15 1HD PRO 15 -8.459 -1.570 1.521
127 H ASN 16 H ASN 16 -5.311 2.075 0.108
128 HA ASN 16 HA ASN 16 -6.974 4.272 -0.908
129 HB2 ASN 16 1HB ASN 16 -6.249 4.511 1.406
130 HB3 ASN 16 2HB ASN 16 -4.568 4.280 0.937
131 HD21 ASN 16 1HD2 ASN 16 -4.463 7.792 1.121
132 HD22 ASN 16 2HD2 ASN 16 -4.114 6.310 1.943
133 H ASP 17 H ASP 17 -6.393 5.471 -2.613
134 HA ASP 17 HA ASP 17 -4.588 4.501 -4.500
135 HB2 ASP 17 1HB ASP 17 -5.648 7.330 -4.252
136 HB3 ASP 17 2HB ASP 17 -4.931 6.624 -5.697
137 H GLU 18 H GLU 18 -4.161 6.821 -1.930
138 HA GLU 18 HA GLU 18 -1.683 7.907 -2.717
139 HB2 GLU 18 1HB GLU 18 -3.399 8.533 -0.789
140 HB3 GLU 18 2HB GLU 18 -2.361 7.502 0.179
141 HG2 GLU 18 1HG GLU 18 -1.508 9.971 -1.326
142 HG3 GLU 18 2HG GLU 18 -1.773 9.847 0.410
143 H ILE 19 H ILE 19 -2.447 5.276 -0.435
144 HA ILE 19 HA ILE 19 0.202 4.496 0.103
145 HB ILE 19 HB ILE 19 -2.283 2.754 0.183
146 HG12 ILE 19 1HG1 ILE 19 -2.608 4.778 1.524
147 HG13 ILE 19 2HG1 ILE 19 -2.409 3.383 2.577
148 HG21 ILE 19 1HG2 ILE 19 0.382 2.469 1.583
149 HG22 ILE 19 2HG2 ILE 19 -0.247 1.440 0.295
150 HG23 ILE 19 3HG2 ILE 19 -1.037 1.459 1.873
151 HD11 ILE 19 1HD1 ILE 19 -1.220 5.311 3.435
152 HD12 ILE 19 2HD1 ILE 19 -0.292 5.429 1.940
153 HD13 ILE 19 3HD1 ILE 19 -0.090 4.030 2.996
154 H LYS 20 H LYS 20 -2.104 3.524 -2.364
155 HA LYS 20 HA LYS 20 -0.670 1.462 -3.601
156 HB2 LYS 20 1HB LYS 20 -2.969 1.857 -4.193
157 HB3 LYS 20 2HB LYS 20 -2.625 3.509 -4.677
158 HG2 LYS 20 1HG LYS 20 -2.978 2.169 -6.638
159 HG3 LYS 20 2HG LYS 20 -1.284 2.656 -6.568
160 HD2 LYS 20 1HD LYS 20 -0.667 0.451 -5.722
161 HD3 LYS 20 2HD LYS 20 -2.364 -0.038 -5.711
162 HE2 LYS 20 1HE LYS 20 -0.753 0.727 -8.156
163 HE3 LYS 20 2HE LYS 20 -1.198 -0.913 -7.684
164 HZ1 LYS 20 1HZ LYS 20 -3.096 1.260 -8.403
165 HZ2 LYS 20 2HZ LYS 20 -3.528 -0.310 -7.949
166 HZ3 LYS 20 3HZ LYS 20 -2.679 -0.051 -9.387
167 H LYS 21 H LYS 21 -0.650 4.967 -4.136
168 HA LYS 21 HA LYS 21 1.189 5.042 -6.264
169 HB2 LYS 21 1HB LYS 21 -0.318 6.894 -4.769
170 HB3 LYS 21 2HB LYS 21 1.349 7.393 -4.558
171 HG2 LYS 21 1HG LYS 21 0.793 6.801 -7.340
172 HG3 LYS 21 2HG LYS 21 -0.349 7.981 -6.703
173 HD2 LYS 21 1HD LYS 21 1.452 9.244 -7.559
174 HD3 LYS 21 2HD LYS 21 1.670 9.247 -5.809
175 HE2 LYS 21 1HE LYS 21 3.805 8.873 -6.839
176 HE3 LYS 21 2HE LYS 21 3.292 7.371 -6.069
177 HZ1 LYS 21 1HZ LYS 21 4.211 7.012 -8.286
178 HZ2 LYS 21 2HZ LYS 21 3.014 7.993 -8.958
179 HZ3 LYS 21 3HZ LYS 21 2.592 6.536 -8.213
180 H LYS 22 H LYS 22 1.592 5.081 -2.773
181 HA LYS 22 HA LYS 22 4.386 5.587 -2.754
182 HB2 LYS 22 1HB LYS 22 2.567 4.283 -0.716
183 HB3 LYS 22 2HB LYS 22 4.261 4.650 -0.414
184 HG2 LYS 22 1HG LYS 22 2.184 6.709 -1.155
185 HG3 LYS 22 2HG LYS 22 2.686 6.337 0.498
186 HD2 LYS 22 1HD LYS 22 4.961 7.019 -0.006
187 HD3 LYS 22 2HD LYS 22 4.535 7.292 -1.697
188 HE2 LYS 22 1HE LYS 22 4.663 9.369 -0.313
189 HE3 LYS 22 2HE LYS 22 3.113 9.125 -1.118
190 HZ1 LYS 22 1HZ LYS 22 2.926 9.852 1.222
191 HZ2 LYS 22 2HZ LYS 22 3.647 8.403 1.713
192 HZ3 LYS 22 3HZ LYS 22 2.153 8.379 0.919
193 H LEU 23 H LEU 23 2.476 2.595 -2.673
194 HA LEU 23 HA LEU 23 4.695 0.845 -2.415
195 HB2 LEU 23 1HB LEU 23 2.279 0.297 -1.913
196 HB3 LEU 23 2HB LEU 23 2.006 0.198 -3.642
197 HG LEU 23 HG LEU 23 3.653 -1.650 -3.783
198 HD11 LEU 23 1HD1 LEU 23 3.732 -1.433 -0.774
199 HD12 LEU 23 2HD1 LEU 23 5.057 -1.070 -1.880
200 HD13 LEU 23 3HD1 LEU 23 4.459 -2.722 -1.734
201 HD21 LEU 23 1HD2 LEU 23 1.282 -2.168 -3.548
202 HD22 LEU 23 2HD2 LEU 23 1.429 -2.110 -1.790
203 HD23 LEU 23 3HD2 LEU 23 2.269 -3.363 -2.704
204 H GLU 24 H GLU 24 3.172 2.418 -5.100
205 HA GLU 24 HA GLU 24 4.115 0.994 -7.287
206 HB2 GLU 24 1HB GLU 24 2.580 2.878 -7.499
207 HB3 GLU 24 2HB GLU 24 3.816 3.985 -6.918
208 HG2 GLU 24 1HG GLU 24 5.161 3.146 -8.988
209 HG3 GLU 24 2HG GLU 24 3.581 2.632 -9.576
210 H LYS 25 H LYS 25 5.703 3.664 -5.539
211 HA LYS 25 HA LYS 25 8.130 3.420 -7.073
212 HB2 LYS 25 1HB LYS 25 7.304 5.596 -6.208
213 HB3 LYS 25 2HB LYS 25 7.568 5.026 -4.566
214 HG2 LYS 25 1HG LYS 25 9.946 4.947 -4.911
215 HG3 LYS 25 2HG LYS 25 9.753 5.302 -6.628
216 HD2 LYS 25 1HD LYS 25 10.454 7.294 -5.412
217 HD3 LYS 25 2HD LYS 25 8.831 7.509 -6.071
218 HE2 LYS 25 1HE LYS 25 8.876 8.387 -3.836
219 HE3 LYS 25 2HE LYS 25 7.914 6.911 -3.831
220 HZ1 LYS 25 1HZ LYS 25 9.392 6.989 -1.936
221 HZ2 LYS 25 2HZ LYS 25 10.738 7.156 -2.945
222 HZ3 LYS 25 3HZ LYS 25 9.844 5.721 -2.960
223 H CYS 26 H CYS 26 6.824 1.908 -4.340
224 HA CYS 26 HA CYS 26 9.439 1.004 -3.355
225 HB2 CYS 26 2HB CYS 26 7.312 1.767 -1.907
226 HB3 CYS 26 1HB CYS 26 6.874 0.076 -2.118
227 H GLN 27 H GLN 27 8.374 0.243 -5.954
228 HA GLN 27 HA GLN 27 7.371 -2.400 -5.877
229 HB2 GLN 27 1HB GLN 27 8.028 -2.461 -8.294
230 HB3 GLN 27 2HB GLN 27 7.014 -1.094 -7.853
231 HG2 GLN 27 1HG GLN 27 9.061 0.322 -7.746
232 HG3 GLN 27 2HG GLN 27 9.991 -1.056 -8.334
233 HE21 GLN 27 1HE2 GLN 27 9.540 0.333 -11.501
234 HE22 GLN 27 2HE2 GLN 27 10.625 -0.011 -10.200
235 H ALA 28 H ALA 28 8.725 -3.375 -4.320
236 HA ALA 28 HA ALA 28 11.502 -3.714 -4.560
237 HB1 ALA 28 1HB ALA 28 9.483 -5.513 -3.207
238 HB2 ALA 28 2HB ALA 28 10.301 -4.134 -2.471
239 HB3 ALA 28 3HB ALA 28 11.230 -5.553 -2.958
Start of MODEL 15
1 H1 ALA 1 1H ALA 1 9.971 3.604 -2.205
2 H2 ALA 1 2H ALA 1 11.072 4.486 -1.283
3 H3 ALA 1 3H ALA 1 9.498 5.062 -1.490
4 HA ALA 1 HA ALA 1 9.766 4.131 0.700
5 HB1 ALA 1 1HB ALA 1 7.891 2.555 0.653
6 HB2 ALA 1 2HB ALA 1 8.044 2.424 -1.099
7 HB3 ALA 1 3HB ALA 1 7.579 3.958 -0.367
8 H GLU 2 H GLU 2 10.497 2.496 2.045
9 HA GLU 2 HA GLU 2 12.243 0.516 0.733
10 HB2 GLU 2 1HB GLU 2 12.411 1.426 3.610
11 HB3 GLU 2 2HB GLU 2 13.628 0.567 2.678
12 HG2 GLU 2 1HG GLU 2 12.768 3.435 2.368
13 HG3 GLU 2 2HG GLU 2 14.320 2.839 2.949
14 H ASP 3 H ASP 3 9.527 0.894 2.849
15 HA ASP 3 HA ASP 3 9.707 -1.864 3.815
16 HB2 ASP 3 1HB ASP 3 7.777 0.353 4.553
17 HB3 ASP 3 2HB ASP 3 7.790 -1.254 5.268
18 H CYS 4 H CYS 4 9.321 -2.770 1.717
19 HA CYS 4 HA CYS 4 7.000 -2.189 0.213
20 HB2 CYS 4 2HB CYS 4 8.854 -4.574 0.107
21 HB3 CYS 4 1HB CYS 4 7.601 -4.227 -1.084
22 H GLU 5 H GLU 5 7.759 -5.002 2.333
23 HA GLU 5 HA GLU 5 5.270 -6.259 1.820
24 HB2 GLU 5 1HB GLU 5 5.766 -7.775 3.609
25 HB3 GLU 5 2HB GLU 5 7.270 -7.452 2.758
26 HG2 GLU 5 1HG GLU 5 8.056 -6.048 4.506
27 HG3 GLU 5 2HG GLU 5 6.478 -6.029 5.289
28 H ARG 6 H ARG 6 6.383 -4.047 4.347
29 HA ARG 6 HA ARG 6 4.095 -4.099 5.961
30 HB2 ARG 6 1HB ARG 6 6.110 -3.029 6.775
31 HB3 ARG 6 2HB ARG 6 6.063 -1.852 5.464
32 HG2 ARG 6 1HG ARG 6 3.916 -0.997 6.360
33 HG3 ARG 6 2HG ARG 6 4.076 -2.107 7.719
34 HD2 ARG 6 1HD ARG 6 6.070 -0.980 8.471
35 HD3 ARG 6 2HD ARG 6 6.080 0.047 7.032
36 HE ARG 6 HE ARG 6 3.629 0.465 8.198
37 HH11 ARG 6 1HH1 ARG 6 6.974 0.879 9.192
38 HH12 ARG 6 2HH1 ARG 6 6.606 2.163 10.295
39 HH21 ARG 6 1HH2 ARG 6 3.166 2.144 9.648
40 HH22 ARG 6 2HH2 ARG 6 4.445 2.881 10.560
41 H ILE 7 H ILE 7 4.996 -1.659 3.504
42 HA ILE 7 HA ILE 7 2.616 -0.203 3.645
43 HB ILE 7 HB ILE 7 4.590 -0.486 1.368
44 HG12 ILE 7 1HG1 ILE 7 4.176 1.687 3.445
45 HG13 ILE 7 2HG1 ILE 7 5.475 0.498 3.450
46 HG21 ILE 7 1HG2 ILE 7 2.445 0.226 0.448
47 HG22 ILE 7 2HG2 ILE 7 3.602 1.555 0.416
48 HG23 ILE 7 3HG2 ILE 7 2.339 1.513 1.649
49 HD11 ILE 7 1HD1 ILE 7 6.337 1.441 1.367
50 HD12 ILE 7 2HD1 ILE 7 6.254 2.647 2.651
51 HD13 ILE 7 3HD1 ILE 7 5.038 2.635 1.375
52 H ARG 8 H ARG 8 3.448 -3.013 1.664
53 HA ARG 8 HA ARG 8 1.150 -2.975 0.013
54 HB2 ARG 8 1HB ARG 8 3.204 -4.338 -0.393
55 HB3 ARG 8 2HB ARG 8 2.731 -5.389 0.929
56 HG2 ARG 8 1HG ARG 8 0.956 -6.306 -0.241
57 HG3 ARG 8 2HG ARG 8 0.847 -4.936 -1.350
58 HD2 ARG 8 1HD ARG 8 1.783 -7.024 -2.369
59 HD3 ARG 8 2HD ARG 8 2.824 -5.609 -2.507
60 HE ARG 8 HE ARG 8 3.285 -7.516 -0.320
61 HH11 ARG 8 1HH1 ARG 8 4.319 -6.149 -3.379
62 HH12 ARG 8 2HH1 ARG 8 5.957 -6.699 -3.209
63 HH21 ARG 8 1HH2 ARG 8 5.451 -8.266 -0.128
64 HH22 ARG 8 2HH2 ARG 8 6.595 -7.880 -1.378
65 H LYS 9 H LYS 9 1.860 -4.694 3.028
66 HA LYS 9 HA LYS 9 -0.642 -5.952 3.302
67 HB2 LYS 9 1HB LYS 9 1.427 -5.166 5.361
68 HB3 LYS 9 2HB LYS 9 -0.008 -6.105 5.756
69 HG2 LYS 9 1HG LYS 9 2.024 -6.948 3.692
70 HG3 LYS 9 2HG LYS 9 2.080 -7.444 5.384
71 HD2 LYS 9 1HD LYS 9 0.043 -8.652 5.199
72 HD3 LYS 9 2HD LYS 9 -0.341 -7.912 3.644
73 HE2 LYS 9 1HE LYS 9 0.455 -10.279 3.492
74 HE3 LYS 9 2HE LYS 9 1.403 -9.129 2.551
75 HZ1 LYS 9 1HZ LYS 9 2.165 -10.133 5.238
76 HZ2 LYS 9 2HZ LYS 9 3.094 -9.147 4.226
77 HZ3 LYS 9 3HZ LYS 9 2.762 -10.739 3.779
78 H GLU 10 H GLU 10 0.537 -2.822 4.435
79 HA GLU 10 HA GLU 10 -1.833 -2.151 5.875
80 HB2 GLU 10 1HB GLU 10 0.335 -0.328 4.800
81 HB3 GLU 10 2HB GLU 10 -0.887 0.112 5.990
82 HG2 GLU 10 1HG GLU 10 0.035 -1.634 7.499
83 HG3 GLU 10 2HG GLU 10 1.324 -1.906 6.328
84 H LEU 11 H LEU 11 -0.793 -1.836 2.581
85 HA LEU 11 HA LEU 11 -2.689 0.109 1.745
86 HB2 LEU 11 1HB LEU 11 -0.702 -0.296 0.440
87 HB3 LEU 11 2HB LEU 11 -1.125 -1.986 0.235
88 HG LEU 11 HG LEU 11 -3.086 -1.304 -1.127
89 HD11 LEU 11 1HD1 LEU 11 -3.463 0.910 -0.203
90 HD12 LEU 11 2HD1 LEU 11 -3.235 1.003 -1.948
91 HD13 LEU 11 3HD1 LEU 11 -1.925 1.470 -0.861
92 HD21 LEU 11 1HD2 LEU 11 -1.022 -1.939 -2.227
93 HD22 LEU 11 2HD2 LEU 11 -0.402 -0.293 -2.080
94 HD23 LEU 11 3HD2 LEU 11 -1.795 -0.627 -3.114
95 H GLU 12 H GLU 12 -2.588 -3.430 1.517
96 HA GLU 12 HA GLU 12 -5.075 -3.670 0.207
97 HB2 GLU 12 1HB GLU 12 -3.533 -5.694 1.839
98 HB3 GLU 12 2HB GLU 12 -4.907 -6.072 0.806
99 HG2 GLU 12 1HG GLU 12 -2.290 -4.884 -0.121
100 HG3 GLU 12 2HG GLU 12 -2.766 -6.574 -0.274
101 H LYS 13 H LYS 13 -4.203 -3.609 3.627
102 HA LYS 13 HA LYS 13 -6.897 -4.263 4.471
103 HB2 LYS 13 1HB LYS 13 -6.107 -3.955 6.735
104 HB3 LYS 13 2HB LYS 13 -4.925 -4.901 5.844
105 HG2 LYS 13 1HG LYS 13 -3.524 -2.926 5.578
106 HG3 LYS 13 2HG LYS 13 -4.721 -1.948 6.424
107 HD2 LYS 13 1HD LYS 13 -2.941 -2.492 7.953
108 HD3 LYS 13 2HD LYS 13 -4.388 -3.371 8.441
109 HE2 LYS 13 1HE LYS 13 -2.225 -4.607 6.740
110 HE3 LYS 13 2HE LYS 13 -2.190 -4.651 8.501
111 HZ1 LYS 13 1HZ LYS 13 -4.383 -5.765 8.417
112 HZ2 LYS 13 2HZ LYS 13 -3.144 -6.663 7.703
113 HZ3 LYS 13 3HZ LYS 13 -4.253 -5.848 6.730
114 H ASN 14 H ASN 14 -5.243 -1.448 3.493
115 HA ASN 14 HA ASN 14 -7.520 0.218 4.247
116 HB2 ASN 14 1HB ASN 14 -6.003 0.557 6.112
117 HB3 ASN 14 2HB ASN 14 -4.653 0.837 5.019
118 HD21 ASN 14 1HD2 ASN 14 -5.293 4.215 4.599
119 HD22 ASN 14 2HD2 ASN 14 -4.319 2.837 4.208
120 HA PRO 15 HA PRO 15 -6.181 0.572 -0.114
121 HB2 PRO 15 2HB PRO 15 -8.982 1.380 -0.556
122 HB3 PRO 15 1HB PRO 15 -8.079 0.035 -1.257
123 HG2 PRO 15 2HG PRO 15 -10.024 -0.354 0.561
124 HG3 PRO 15 1HG PRO 15 -8.585 -1.389 0.492
125 HD2 PRO 15 2HD PRO 15 -9.201 0.881 2.358
126 HD3 PRO 15 1HD PRO 15 -8.473 -0.702 2.711
127 H ASN 16 H ASN 16 -4.929 2.389 -0.151
128 HA ASN 16 HA ASN 16 -6.340 4.890 -0.721
129 HB2 ASN 16 1HB ASN 16 -4.205 4.536 1.376
130 HB3 ASN 16 2HB ASN 16 -4.446 6.090 0.581
131 HD21 ASN 16 1HD2 ASN 16 -7.159 4.698 3.280
132 HD22 ASN 16 2HD2 ASN 16 -5.915 3.674 2.643
133 H ASP 17 H ASP 17 -5.498 6.052 -2.319
134 HA ASP 17 HA ASP 17 -3.946 4.705 -4.215
135 HB2 ASP 17 1HB ASP 17 -4.566 7.668 -4.076
136 HB3 ASP 17 2HB ASP 17 -4.065 6.779 -5.514
137 H GLU 18 H GLU 18 -3.076 7.455 -2.117
138 HA GLU 18 HA GLU 18 -0.504 7.890 -3.129
139 HB2 GLU 18 1HB GLU 18 -1.470 8.303 -0.286
140 HB3 GLU 18 2HB GLU 18 -0.030 9.026 -0.996
141 HG2 GLU 18 1HG GLU 18 -1.454 10.211 -2.620
142 HG3 GLU 18 2HG GLU 18 -2.881 9.520 -1.849
143 H ILE 19 H ILE 19 -1.608 5.769 -0.523
144 HA ILE 19 HA ILE 19 0.935 4.779 0.222
145 HB ILE 19 HB ILE 19 -1.840 3.626 0.577
146 HG12 ILE 19 1HG1 ILE 19 -1.400 4.162 2.983
147 HG13 ILE 19 2HG1 ILE 19 0.120 4.908 2.506
148 HG21 ILE 19 1HG2 ILE 19 0.759 2.516 1.642
149 HG22 ILE 19 2HG2 ILE 19 -0.304 1.750 0.459
150 HG23 ILE 19 3HG2 ILE 19 -0.853 1.978 2.121
151 HD11 ILE 19 1HD1 ILE 19 -1.618 6.562 2.902
152 HD12 ILE 19 2HD1 ILE 19 -2.625 5.811 1.665
153 HD13 ILE 19 3HD1 ILE 19 -1.102 6.574 1.215
154 H LYS 20 H LYS 20 -1.460 3.750 -2.159
155 HA LYS 20 HA LYS 20 -0.193 1.365 -2.969
156 HB2 LYS 20 1HB LYS 20 -2.518 1.969 -3.560
157 HB3 LYS 20 2HB LYS 20 -1.915 3.237 -4.617
158 HG2 LYS 20 1HG LYS 20 -0.847 1.570 -6.040
159 HG3 LYS 20 2HG LYS 20 -1.389 0.284 -4.959
160 HD2 LYS 20 1HD LYS 20 -3.230 2.168 -6.450
161 HD3 LYS 20 2HD LYS 20 -2.806 0.545 -6.991
162 HE2 LYS 20 1HE LYS 20 -4.130 1.145 -4.342
163 HE3 LYS 20 2HE LYS 20 -5.013 0.713 -5.803
164 HZ1 LYS 20 1HZ LYS 20 -4.660 -1.206 -4.389
165 HZ2 LYS 20 2HZ LYS 20 -2.985 -0.990 -4.449
166 HZ3 LYS 20 3HZ LYS 20 -3.835 -1.392 -5.852
167 H LYS 21 H LYS 21 0.210 4.723 -3.948
168 HA LYS 21 HA LYS 21 2.075 4.173 -6.040
169 HB2 LYS 21 1HB LYS 21 1.540 6.743 -4.530
170 HB3 LYS 21 2HB LYS 21 2.516 6.612 -5.988
171 HG2 LYS 21 1HG LYS 21 -0.448 6.124 -5.726
172 HG3 LYS 21 2HG LYS 21 0.354 7.439 -6.587
173 HD2 LYS 21 1HD LYS 21 1.391 5.703 -8.087
174 HD3 LYS 21 2HD LYS 21 0.369 4.501 -7.297
175 HE2 LYS 21 1HE LYS 21 -0.665 5.208 -9.362
176 HE3 LYS 21 2HE LYS 21 -1.627 5.782 -8.000
177 HZ1 LYS 21 1HZ LYS 21 -0.703 7.964 -8.261
178 HZ2 LYS 21 2HZ LYS 21 -1.307 7.459 -9.757
179 HZ3 LYS 21 3HZ LYS 21 0.359 7.435 -9.467
180 H LYS 22 H LYS 22 2.302 4.735 -2.594
181 HA LYS 22 HA LYS 22 5.115 4.978 -2.416
182 HB2 LYS 22 1HB LYS 22 3.018 3.984 -0.487
183 HB3 LYS 22 2HB LYS 22 4.725 3.956 -0.070
184 HG2 LYS 22 1HG LYS 22 4.872 6.356 -0.292
185 HG3 LYS 22 2HG LYS 22 3.204 6.437 -0.867
186 HD2 LYS 22 1HD LYS 22 2.342 5.808 1.250
187 HD3 LYS 22 2HD LYS 22 3.927 5.296 1.829
188 HE2 LYS 22 1HE LYS 22 3.181 7.462 2.783
189 HE3 LYS 22 2HE LYS 22 4.701 7.575 1.898
190 HZ1 LYS 22 1HZ LYS 22 3.184 9.416 1.424
191 HZ2 LYS 22 2HZ LYS 22 2.044 8.334 0.806
192 HZ3 LYS 22 3HZ LYS 22 3.538 8.523 0.032
193 H LEU 23 H LEU 23 2.980 2.132 -2.281
194 HA LEU 23 HA LEU 23 5.009 0.188 -2.071
195 HB2 LEU 23 1HB LEU 23 2.539 -0.137 -1.677
196 HB3 LEU 23 2HB LEU 23 2.307 -0.114 -3.411
197 HG LEU 23 HG LEU 23 2.342 -2.397 -2.281
198 HD11 LEU 23 1HD1 LEU 23 4.315 -1.956 -4.520
199 HD12 LEU 23 2HD1 LEU 23 2.570 -2.135 -4.704
200 HD13 LEU 23 3HD1 LEU 23 3.536 -3.481 -4.097
201 HD21 LEU 23 1HD2 LEU 23 4.521 -3.384 -1.811
202 HD22 LEU 23 2HD2 LEU 23 4.219 -1.993 -0.773
203 HD23 LEU 23 3HD2 LEU 23 5.307 -1.842 -2.155
204 H GLU 24 H GLU 24 3.376 1.621 -4.842
205 HA GLU 24 HA GLU 24 4.518 0.369 -6.992
206 HB2 GLU 24 1HB GLU 24 2.858 2.024 -7.362
207 HB3 GLU 24 2HB GLU 24 3.777 3.248 -6.502
208 HG2 GLU 24 1HG GLU 24 5.478 3.126 -8.354
209 HG3 GLU 24 2HG GLU 24 4.328 2.118 -9.234
210 H LYS 25 H LYS 25 5.876 3.011 -5.066
211 HA LYS 25 HA LYS 25 8.421 2.802 -6.513
212 HB2 LYS 25 1HB LYS 25 7.242 4.895 -4.685
213 HB3 LYS 25 2HB LYS 25 8.943 4.912 -5.140
214 HG2 LYS 25 1HG LYS 25 8.372 5.135 -7.475
215 HG3 LYS 25 2HG LYS 25 6.657 4.954 -7.109
216 HD2 LYS 25 1HD LYS 25 8.347 7.190 -5.991
217 HD3 LYS 25 2HD LYS 25 7.462 7.318 -7.513
218 HE2 LYS 25 1HE LYS 25 6.238 6.725 -4.815
219 HE3 LYS 25 2HE LYS 25 6.205 8.284 -5.637
220 HZ1 LYS 25 1HZ LYS 25 4.150 7.190 -6.037
221 HZ2 LYS 25 2HZ LYS 25 4.910 5.766 -6.533
222 HZ3 LYS 25 3HZ LYS 25 5.017 7.154 -7.488
223 H CYS 26 H CYS 26 7.579 0.740 -4.685
224 HA CYS 26 HA CYS 26 9.858 0.918 -2.816
225 HB2 CYS 26 2HB CYS 26 7.598 0.765 -1.691
226 HB3 CYS 26 1HB CYS 26 7.407 -0.822 -2.429
227 H GLN 27 H GLN 27 7.816 -1.407 -4.594
228 HA GLN 27 HA GLN 27 9.921 -3.356 -4.714
229 HB2 GLN 27 1HB GLN 27 8.327 -4.591 -6.219
230 HB3 GLN 27 2HB GLN 27 7.693 -4.202 -4.627
231 HG2 GLN 27 1HG GLN 27 6.495 -2.274 -5.617
232 HG3 GLN 27 2HG GLN 27 7.069 -2.773 -7.208
233 HE21 GLN 27 1HE2 GLN 27 4.013 -4.453 -7.472
234 HE22 GLN 27 2HE2 GLN 27 4.976 -3.113 -7.980
235 H ALA 28 H ALA 28 11.586 -2.126 -5.660
236 HA ALA 28 HA ALA 28 11.328 -1.791 -8.583
237 HB1 ALA 28 1HB ALA 28 12.844 0.134 -8.438
238 HB2 ALA 28 2HB ALA 28 12.883 -0.025 -6.682
239 HB3 ALA 28 3HB ALA 28 11.379 0.400 -7.496
Start of MODEL 16
1 H1 ALA 1 1H ALA 1 12.915 4.227 3.163
2 H2 ALA 1 2H ALA 1 13.670 4.157 4.675
3 H3 ALA 1 3H ALA 1 12.185 3.385 4.432
4 HA ALA 1 HA ALA 1 14.754 2.659 3.152
5 HB1 ALA 1 1HB ALA 1 14.560 0.605 4.489
6 HB2 ALA 1 2HB ALA 1 13.090 1.231 5.236
7 HB3 ALA 1 3HB ALA 1 14.633 2.037 5.515
8 H GLU 2 H GLU 2 14.161 0.046 2.653
9 HA GLU 2 HA GLU 2 12.233 0.141 0.524
10 HB2 GLU 2 1HB GLU 2 13.827 -2.133 1.728
11 HB3 GLU 2 2HB GLU 2 12.741 -2.326 0.356
12 HG2 GLU 2 1HG GLU 2 14.076 -0.793 -0.960
13 HG3 GLU 2 2HG GLU 2 15.132 -0.493 0.420
14 H ASP 3 H ASP 3 10.643 0.920 2.282
15 HA ASP 3 HA ASP 3 9.522 -1.073 4.040
16 HB2 ASP 3 1HB ASP 3 8.564 1.718 3.333
17 HB3 ASP 3 2HB ASP 3 7.892 0.716 4.612
18 H CYS 4 H CYS 4 9.399 -1.252 0.947
19 HA CYS 4 HA CYS 4 6.837 -0.980 -0.007
20 HB2 CYS 4 2HB CYS 4 8.925 -3.060 -0.675
21 HB3 CYS 4 1HB CYS 4 7.417 -2.896 -1.567
22 H GLU 5 H GLU 5 8.188 -3.738 1.785
23 HA GLU 5 HA GLU 5 5.929 -5.401 1.624
24 HB2 GLU 5 1HB GLU 5 8.124 -5.209 3.695
25 HB3 GLU 5 2HB GLU 5 6.901 -6.476 3.700
26 HG2 GLU 5 1HG GLU 5 8.835 -5.940 1.449
27 HG3 GLU 5 2HG GLU 5 9.019 -7.192 2.678
28 H ARG 6 H ARG 6 6.805 -2.877 3.920
29 HA ARG 6 HA ARG 6 4.760 -3.302 5.819
30 HB2 ARG 6 1HB ARG 6 6.904 -1.771 5.853
31 HB3 ARG 6 2HB ARG 6 5.834 -0.566 5.160
32 HG2 ARG 6 1HG ARG 6 5.874 -0.160 7.478
33 HG3 ARG 6 2HG ARG 6 4.322 -0.941 7.157
34 HD2 ARG 6 1HD ARG 6 5.610 -1.777 9.185
35 HD3 ARG 6 2HD ARG 6 5.062 -3.006 8.044
36 HE ARG 6 HE ARG 6 7.241 -3.520 7.592
37 HH11 ARG 6 1HH1 ARG 6 7.183 -0.434 9.268
38 HH12 ARG 6 2HH1 ARG 6 8.912 -0.301 9.324
39 HH21 ARG 6 1HH2 ARG 6 9.506 -3.320 7.656
40 HH22 ARG 6 2HH2 ARG 6 10.230 -1.931 8.412
41 H ILE 7 H ILE 7 5.037 -0.926 3.213
42 HA ILE 7 HA ILE 7 2.452 0.151 3.417
43 HB ILE 7 HB ILE 7 4.213 0.042 0.950
44 HG12 ILE 7 1HG1 ILE 7 4.120 2.113 3.171
45 HG13 ILE 7 2HG1 ILE 7 5.423 0.964 2.897
46 HG21 ILE 7 1HG2 ILE 7 3.033 2.102 0.296
47 HG22 ILE 7 2HG2 ILE 7 1.996 1.947 1.715
48 HG23 ILE 7 3HG2 ILE 7 1.938 0.728 0.442
49 HD11 ILE 7 1HD1 ILE 7 4.599 3.198 1.056
50 HD12 ILE 7 2HD1 ILE 7 5.870 2.019 0.726
51 HD13 ILE 7 3HD1 ILE 7 6.036 3.141 2.075
52 H ARG 8 H ARG 8 3.755 -2.516 1.513
53 HA ARG 8 HA ARG 8 1.533 -3.097 -0.084
54 HB2 ARG 8 1HB ARG 8 3.816 -4.111 -0.317
55 HB3 ARG 8 2HB ARG 8 3.487 -5.090 1.102
56 HG2 ARG 8 1HG ARG 8 1.637 -6.180 -0.056
57 HG3 ARG 8 2HG ARG 8 1.927 -5.179 -1.479
58 HD2 ARG 8 1HD ARG 8 2.891 -7.425 -1.727
59 HD3 ARG 8 2HD ARG 8 4.128 -6.170 -1.762
60 HE ARG 8 HE ARG 8 5.065 -7.095 0.098
61 HH11 ARG 8 1HH1 ARG 8 1.770 -8.256 -0.158
62 HH12 ARG 8 2HH1 ARG 8 1.926 -9.370 1.162
63 HH21 ARG 8 1HH2 ARG 8 5.278 -8.571 1.825
64 HH22 ARG 8 2HH2 ARG 8 3.922 -9.548 2.290
65 H LYS 9 H LYS 9 2.457 -4.287 3.112
66 HA LYS 9 HA LYS 9 0.271 -6.020 3.451
67 HB2 LYS 9 1HB LYS 9 2.447 -5.934 4.807
68 HB3 LYS 9 2HB LYS 9 1.707 -4.623 5.715
69 HG2 LYS 9 1HG LYS 9 1.374 -6.600 6.977
70 HG3 LYS 9 2HG LYS 9 -0.186 -6.202 6.253
71 HD2 LYS 9 1HD LYS 9 0.200 -7.857 4.489
72 HD3 LYS 9 2HD LYS 9 1.778 -8.240 5.181
73 HE2 LYS 9 1HE LYS 9 0.252 -9.933 5.891
74 HE3 LYS 9 2HE LYS 9 0.592 -8.915 7.289
75 HZ1 LYS 9 1HZ LYS 9 -1.509 -7.738 6.827
76 HZ2 LYS 9 2HZ LYS 9 -1.745 -9.374 7.179
77 HZ3 LYS 9 3HZ LYS 9 -1.834 -8.831 5.581
78 H GLU 10 H GLU 10 0.740 -2.620 4.313
79 HA GLU 10 HA GLU 10 -1.790 -2.285 5.575
80 HB2 GLU 10 1HB GLU 10 0.412 -0.723 5.352
81 HB3 GLU 10 2HB GLU 10 -0.589 0.024 4.117
82 HG2 GLU 10 1HG GLU 10 -1.261 -0.309 7.035
83 HG3 GLU 10 2HG GLU 10 -0.842 1.189 6.213
84 H LEU 11 H LEU 11 -0.658 -2.102 2.272
85 HA LEU 11 HA LEU 11 -2.975 -0.835 1.156
86 HB2 LEU 11 1HB LEU 11 -0.546 -0.933 0.245
87 HB3 LEU 11 2HB LEU 11 -0.972 -2.516 -0.362
88 HG LEU 11 HG LEU 11 -1.071 -0.674 -2.053
89 HD11 LEU 11 1HD1 LEU 11 -3.162 -1.339 -3.078
90 HD12 LEU 11 2HD1 LEU 11 -3.708 -2.046 -1.557
91 HD13 LEU 11 3HD1 LEU 11 -2.328 -2.740 -2.404
92 HD21 LEU 11 1HD2 LEU 11 -3.441 0.251 -0.430
93 HD22 LEU 11 2HD2 LEU 11 -2.954 0.875 -2.006
94 HD23 LEU 11 3HD2 LEU 11 -1.904 1.099 -0.611
95 H GLU 12 H GLU 12 -1.895 -4.072 1.746
96 HA GLU 12 HA GLU 12 -3.587 -5.629 0.223
97 HB2 GLU 12 1HB GLU 12 -1.722 -6.474 1.598
98 HB3 GLU 12 2HB GLU 12 -2.624 -6.097 3.057
99 HG2 GLU 12 1HG GLU 12 -4.302 -7.757 2.466
100 HG3 GLU 12 2HG GLU 12 -3.430 -8.119 0.975
101 H LYS 13 H LYS 13 -4.147 -4.100 3.357
102 HA LYS 13 HA LYS 13 -6.904 -4.969 3.483
103 HB2 LYS 13 1HB LYS 13 -5.312 -3.044 5.189
104 HB3 LYS 13 2HB LYS 13 -6.987 -3.481 5.500
105 HG2 LYS 13 1HG LYS 13 -6.350 -5.799 5.852
106 HG3 LYS 13 2HG LYS 13 -4.674 -5.418 5.448
107 HD2 LYS 13 1HD LYS 13 -5.015 -5.559 7.877
108 HD3 LYS 13 2HD LYS 13 -4.516 -3.942 7.378
109 HE2 LYS 13 1HE LYS 13 -6.919 -3.261 7.420
110 HE3 LYS 13 2HE LYS 13 -7.313 -4.844 8.087
111 HZ1 LYS 13 1HZ LYS 13 -5.530 -2.824 9.331
112 HZ2 LYS 13 2HZ LYS 13 -5.880 -4.345 9.976
113 HZ3 LYS 13 3HZ LYS 13 -7.104 -3.192 9.819
114 H ASN 14 H ASN 14 -5.281 -1.797 3.292
115 HA ASN 14 HA ASN 14 -7.788 -0.634 2.266
116 HB2 ASN 14 1HB ASN 14 -5.447 0.733 3.621
117 HB3 ASN 14 2HB ASN 14 -6.906 1.537 3.047
118 HD21 ASN 14 1HD2 ASN 14 -6.840 -0.362 6.609
119 HD22 ASN 14 2HD2 ASN 14 -5.478 -0.362 5.539
120 HA PRO 15 HA PRO 15 -5.233 -0.389 -1.478
121 HB2 PRO 15 2HB PRO 15 -7.250 -0.263 -3.247
122 HB3 PRO 15 1HB PRO 15 -6.847 -1.775 -2.419
123 HG2 PRO 15 2HG PRO 15 -9.026 0.197 -1.809
124 HG3 PRO 15 1HG PRO 15 -9.103 -1.575 -1.855
125 HD2 PRO 15 2HD PRO 15 -8.833 -0.119 0.457
126 HD3 PRO 15 1HD PRO 15 -8.256 -1.788 0.269
127 H ASN 16 H ASN 16 -5.523 1.905 0.150
128 HA ASN 16 HA ASN 16 -6.834 4.080 -1.073
129 HB2 ASN 16 1HB ASN 16 -4.417 4.086 0.760
130 HB3 ASN 16 2HB ASN 16 -5.386 5.501 0.357
131 HD21 ASN 16 1HD2 ASN 16 -8.246 3.773 2.111
132 HD22 ASN 16 2HD2 ASN 16 -7.921 4.089 0.445
133 H ASP 17 H ASP 17 -6.192 5.562 -2.573
134 HA ASP 17 HA ASP 17 -4.530 4.771 -4.640
135 HB2 ASP 17 1HB ASP 17 -5.243 7.629 -3.923
136 HB3 ASP 17 2HB ASP 17 -4.698 7.061 -5.497
137 H GLU 18 H GLU 18 -3.841 7.298 -2.233
138 HA GLU 18 HA GLU 18 -1.284 7.967 -3.099
139 HB2 GLU 18 1HB GLU 18 -2.338 8.060 -0.261
140 HB3 GLU 18 2HB GLU 18 -0.986 8.991 -0.893
141 HG2 GLU 18 1HG GLU 18 -2.457 10.222 -2.359
142 HG3 GLU 18 2HG GLU 18 -3.826 9.222 -1.878
143 H ILE 19 H ILE 19 -2.307 5.560 -0.734
144 HA ILE 19 HA ILE 19 0.282 4.788 0.125
145 HB ILE 19 HB ILE 19 -2.300 3.200 0.186
146 HG12 ILE 19 1HG1 ILE 19 -2.560 5.334 1.340
147 HG13 ILE 19 2HG1 ILE 19 -2.500 4.024 2.515
148 HG21 ILE 19 1HG2 ILE 19 -1.272 1.942 2.026
149 HG22 ILE 19 2HG2 ILE 19 0.229 2.838 1.798
150 HG23 ILE 19 3HG2 ILE 19 -0.357 1.765 0.529
151 HD11 ILE 19 1HD1 ILE 19 -1.234 5.928 3.288
152 HD12 ILE 19 2HD1 ILE 19 -0.249 5.905 1.827
153 HD13 ILE 19 3HD1 ILE 19 -0.153 4.571 2.980
154 H LYS 20 H LYS 20 -1.944 3.556 -2.321
155 HA LYS 20 HA LYS 20 -0.504 1.332 -3.209
156 HB2 LYS 20 1HB LYS 20 -2.889 1.997 -3.768
157 HB3 LYS 20 2HB LYS 20 -2.237 3.170 -4.894
158 HG2 LYS 20 1HG LYS 20 -1.670 0.219 -5.100
159 HG3 LYS 20 2HG LYS 20 -3.066 0.980 -5.857
160 HD2 LYS 20 1HD LYS 20 -1.419 2.534 -7.014
161 HD3 LYS 20 2HD LYS 20 -0.143 1.458 -6.439
162 HE2 LYS 20 1HE LYS 20 -0.691 0.804 -8.672
163 HE3 LYS 20 2HE LYS 20 -1.333 -0.430 -7.586
164 HZ1 LYS 20 1HZ LYS 20 -3.519 0.530 -7.803
165 HZ2 LYS 20 2HZ LYS 20 -2.904 0.213 -9.343
166 HZ3 LYS 20 3HZ LYS 20 -2.919 1.794 -8.753
167 H LYS 21 H LYS 21 -0.389 4.731 -4.159
168 HA LYS 21 HA LYS 21 1.480 4.485 -6.258
169 HB2 LYS 21 1HB LYS 21 0.843 6.854 -4.477
170 HB3 LYS 21 2HB LYS 21 1.814 6.943 -5.944
171 HG2 LYS 21 1HG LYS 21 -0.078 6.301 -7.295
172 HG3 LYS 21 2HG LYS 21 -1.062 6.032 -5.853
173 HD2 LYS 21 1HD LYS 21 -1.613 8.173 -6.883
174 HD3 LYS 21 2HD LYS 21 -0.889 8.417 -5.293
175 HE2 LYS 21 1HE LYS 21 1.253 8.953 -6.332
176 HE3 LYS 21 2HE LYS 21 0.572 8.641 -7.929
177 HZ1 LYS 21 1HZ LYS 21 0.655 11.013 -7.376
178 HZ2 LYS 21 2HZ LYS 21 -0.384 10.747 -6.069
179 HZ3 LYS 21 3HZ LYS 21 -0.926 10.480 -7.649
180 H LYS 22 H LYS 22 1.892 5.260 -2.804
181 HA LYS 22 HA LYS 22 4.713 5.618 -3.054
182 HB2 LYS 22 1HB LYS 22 3.365 6.676 -1.240
183 HB3 LYS 22 2HB LYS 22 3.145 5.090 -0.518
184 HG2 LYS 22 1HG LYS 22 4.951 6.443 0.540
185 HG3 LYS 22 2HG LYS 22 5.493 4.880 -0.077
186 HD2 LYS 22 1HD LYS 22 6.221 6.093 -2.178
187 HD3 LYS 22 2HD LYS 22 5.902 7.602 -1.325
188 HE2 LYS 22 1HE LYS 22 7.781 5.479 -0.299
189 HE3 LYS 22 2HE LYS 22 8.299 6.815 -1.324
190 HZ1 LYS 22 1HZ LYS 22 7.328 8.317 0.413
191 HZ2 LYS 22 2HZ LYS 22 8.705 7.454 0.881
192 HZ3 LYS 22 3HZ LYS 22 7.178 6.959 1.413
193 H LEU 23 H LEU 23 2.671 2.874 -2.564
194 HA LEU 23 HA LEU 23 4.378 1.064 -1.338
195 HB2 LEU 23 1HB LEU 23 2.090 0.481 -1.716
196 HB3 LEU 23 2HB LEU 23 2.258 0.672 -3.451
197 HG LEU 23 HG LEU 23 3.643 -1.326 -3.584
198 HD11 LEU 23 1HD1 LEU 23 4.044 -2.731 -1.621
199 HD12 LEU 23 2HD1 LEU 23 3.314 -1.497 -0.593
200 HD13 LEU 23 3HD1 LEU 23 4.806 -1.150 -1.464
201 HD21 LEU 23 1HD2 LEU 23 1.977 -3.001 -2.975
202 HD22 LEU 23 2HD2 LEU 23 1.213 -1.595 -3.713
203 HD23 LEU 23 3HD2 LEU 23 1.140 -1.822 -1.966
204 H GLU 24 H GLU 24 3.901 1.496 -4.833
205 HA GLU 24 HA GLU 24 5.900 -0.327 -5.621
206 HB2 GLU 24 1HB GLU 24 5.633 0.772 -7.868
207 HB3 GLU 24 2HB GLU 24 4.133 0.211 -7.141
208 HG2 GLU 24 1HG GLU 24 3.698 2.523 -6.355
209 HG3 GLU 24 2HG GLU 24 5.145 3.050 -7.211
210 H LYS 25 H LYS 25 6.079 2.965 -4.614
211 HA LYS 25 HA LYS 25 8.884 3.123 -5.533
212 HB2 LYS 25 1HB LYS 25 6.918 5.401 -5.136
213 HB3 LYS 25 2HB LYS 25 8.595 5.574 -5.638
214 HG2 LYS 25 1HG LYS 25 6.381 4.228 -7.193
215 HG3 LYS 25 2HG LYS 25 7.130 5.785 -7.552
216 HD2 LYS 25 1HD LYS 25 9.298 4.616 -7.887
217 HD3 LYS 25 2HD LYS 25 8.476 3.076 -7.630
218 HE2 LYS 25 1HE LYS 25 7.852 5.057 -9.826
219 HE3 LYS 25 2HE LYS 25 8.787 3.576 -10.017
220 HZ1 LYS 25 1HZ LYS 25 5.931 3.724 -9.206
221 HZ2 LYS 25 2HZ LYS 25 6.828 2.301 -9.400
222 HZ3 LYS 25 3HZ LYS 25 6.505 3.285 -10.733
223 H CYS 26 H CYS 26 8.038 1.916 -3.105
224 HA CYS 26 HA CYS 26 8.050 3.630 -0.878
225 HB2 CYS 26 2HB CYS 26 8.170 1.707 0.441
226 HB3 CYS 26 1HB CYS 26 7.441 1.109 -1.047
227 H GLN 27 H GLN 27 10.575 2.750 -2.955
228 HA GLN 27 HA GLN 27 12.803 2.435 -1.373
229 HB2 GLN 27 1HB GLN 27 12.792 2.148 -3.816
230 HB3 GLN 27 2HB GLN 27 12.627 3.885 -4.027
231 HG2 GLN 27 1HG GLN 27 14.821 4.206 -2.948
232 HG3 GLN 27 2HG GLN 27 14.985 2.456 -2.800
233 HE21 GLN 27 1HE2 GLN 27 16.802 2.678 -5.777
234 HE22 GLN 27 2HE2 GLN 27 16.847 2.436 -4.064
235 H ALA 28 H ALA 28 11.162 5.423 -2.261
236 HA ALA 28 HA ALA 28 12.919 6.874 -0.392
237 HB1 ALA 28 1HB ALA 28 11.899 7.941 -3.031
238 HB2 ALA 28 2HB ALA 28 13.556 7.441 -2.694
239 HB3 ALA 28 3HB ALA 28 12.867 8.831 -1.856
Start of MODEL 17
1 H1 ALA 1 1H ALA 1 13.634 3.203 6.920
2 H2 ALA 1 2H ALA 1 12.706 4.612 6.910
3 H3 ALA 1 3H ALA 1 14.218 4.596 6.158
4 HA ALA 1 HA ALA 1 12.472 4.496 4.529
5 HB1 ALA 1 1HB ALA 1 14.594 3.361 4.057
6 HB2 ALA 1 2HB ALA 1 13.238 2.508 3.322
7 HB3 ALA 1 3HB ALA 1 13.974 1.885 4.799
8 H GLU 2 H GLU 2 10.870 3.029 3.482
9 HA GLU 2 HA GLU 2 9.194 1.739 5.532
10 HB2 GLU 2 1HB GLU 2 8.397 2.805 2.809
11 HB3 GLU 2 2HB GLU 2 7.307 2.139 4.020
12 HG2 GLU 2 1HG GLU 2 8.929 4.668 4.266
13 HG3 GLU 2 2HG GLU 2 7.192 4.554 3.990
14 H ASP 3 H ASP 3 9.052 -0.402 5.479
15 HA ASP 3 HA ASP 3 10.313 -2.009 3.537
16 HB2 ASP 3 1HB ASP 3 8.119 -2.834 5.462
17 HB3 ASP 3 2HB ASP 3 9.242 -3.913 4.647
18 H CYS 4 H CYS 4 9.651 -2.555 1.543
19 HA CYS 4 HA CYS 4 7.249 -1.719 0.403
20 HB2 CYS 4 2HB CYS 4 8.983 -4.048 -0.466
21 HB3 CYS 4 1HB CYS 4 7.795 -3.213 -1.466
22 H GLU 5 H GLU 5 8.101 -4.785 1.945
23 HA GLU 5 HA GLU 5 5.718 -6.188 1.526
24 HB2 GLU 5 1HB GLU 5 7.627 -7.329 2.419
25 HB3 GLU 5 2HB GLU 5 7.714 -6.238 3.793
26 HG2 GLU 5 1HG GLU 5 6.854 -8.449 4.406
27 HG3 GLU 5 2HG GLU 5 5.690 -7.165 4.720
28 H ARG 6 H ARG 6 6.600 -3.817 3.993
29 HA ARG 6 HA ARG 6 4.280 -4.061 5.584
30 HB2 ARG 6 1HB ARG 6 6.431 -2.839 6.189
31 HB3 ARG 6 2HB ARG 6 5.876 -1.520 5.169
32 HG2 ARG 6 1HG ARG 6 3.759 -1.552 6.643
33 HG3 ARG 6 2HG ARG 6 4.732 -2.513 7.759
34 HD2 ARG 6 1HD ARG 6 5.275 0.286 6.779
35 HD3 ARG 6 2HD ARG 6 4.880 -0.216 8.421
36 HE ARG 6 HE ARG 6 7.207 -1.551 7.777
37 HH11 ARG 6 1HH1 ARG 6 6.186 1.795 7.968
38 HH12 ARG 6 2HH1 ARG 6 7.765 2.387 8.374
39 HH21 ARG 6 1HH2 ARG 6 9.299 -0.764 8.298
40 HH22 ARG 6 2HH2 ARG 6 9.523 0.933 8.589
41 H ILE 7 H ILE 7 5.146 -1.650 3.106
42 HA ILE 7 HA ILE 7 2.717 -0.316 2.901
43 HB ILE 7 HB ILE 7 4.690 -0.893 0.668
44 HG12 ILE 7 1HG1 ILE 7 4.525 1.471 2.567
45 HG13 ILE 7 2HG1 ILE 7 5.729 0.189 2.638
46 HG21 ILE 7 1HG2 ILE 7 2.601 1.284 0.887
47 HG22 ILE 7 2HG2 ILE 7 2.547 -0.107 -0.199
48 HG23 ILE 7 3HG2 ILE 7 3.793 1.123 -0.404
49 HD11 ILE 7 1HD1 ILE 7 6.570 0.871 0.438
50 HD12 ILE 7 2HD1 ILE 7 6.638 2.183 1.614
51 HD13 ILE 7 3HD1 ILE 7 5.368 2.161 0.393
52 H ARG 8 H ARG 8 3.831 -3.254 1.330
53 HA ARG 8 HA ARG 8 1.790 -3.789 -0.464
54 HB2 ARG 8 1HB ARG 8 3.848 -5.130 -0.269
55 HB3 ARG 8 2HB ARG 8 3.319 -5.709 1.306
56 HG2 ARG 8 1HG ARG 8 1.382 -6.803 0.207
57 HG3 ARG 8 2HG ARG 8 2.051 -6.327 -1.357
58 HD2 ARG 8 1HD ARG 8 3.993 -7.662 -1.032
59 HD3 ARG 8 2HD ARG 8 3.607 -7.934 0.666
60 HE ARG 8 HE ARG 8 2.040 -9.055 -1.578
61 HH11 ARG 8 1HH1 ARG 8 3.521 -9.353 1.593
62 HH12 ARG 8 2HH1 ARG 8 2.862 -10.936 1.879
63 HH21 ARG 8 1HH2 ARG 8 1.201 -11.155 -1.192
64 HH22 ARG 8 2HH2 ARG 8 1.564 -11.959 0.309
65 H LYS 9 H LYS 9 2.070 -5.075 2.866
66 HA LYS 9 HA LYS 9 -0.581 -6.110 2.737
67 HB2 LYS 9 1HB LYS 9 -0.219 -6.773 5.109
68 HB3 LYS 9 2HB LYS 9 0.997 -7.361 3.992
69 HG2 LYS 9 1HG LYS 9 2.249 -6.719 5.810
70 HG3 LYS 9 2HG LYS 9 2.374 -5.312 4.756
71 HD2 LYS 9 1HD LYS 9 0.815 -4.083 6.064
72 HD3 LYS 9 2HD LYS 9 0.320 -5.525 6.958
73 HE2 LYS 9 1HE LYS 9 3.037 -4.206 7.068
74 HE3 LYS 9 2HE LYS 9 1.787 -4.123 8.313
75 HZ1 LYS 9 1HZ LYS 9 1.968 -6.501 8.620
76 HZ2 LYS 9 2HZ LYS 9 3.479 -5.776 8.828
77 HZ3 LYS 9 3HZ LYS 9 3.135 -6.607 7.400
78 H GLU 10 H GLU 10 0.730 -3.080 3.698
79 HA GLU 10 HA GLU 10 -1.518 -2.243 5.272
80 HB2 GLU 10 1HB GLU 10 0.643 -0.668 3.848
81 HB3 GLU 10 2HB GLU 10 -0.643 0.096 4.775
82 HG2 GLU 10 1HG GLU 10 0.121 -1.219 6.764
83 HG3 GLU 10 2HG GLU 10 1.501 -1.749 5.804
84 H LEU 11 H LEU 11 -0.657 -2.185 1.866
85 HA LEU 11 HA LEU 11 -2.910 -0.657 1.003
86 HB2 LEU 11 1HB LEU 11 -0.623 -1.460 -0.198
87 HB3 LEU 11 2HB LEU 11 -1.706 -2.689 -0.820
88 HG LEU 11 HG LEU 11 -1.979 0.303 -1.187
89 HD11 LEU 11 1HD1 LEU 11 -1.618 -0.199 -3.557
90 HD12 LEU 11 2HD1 LEU 11 -1.359 -1.896 -3.158
91 HD13 LEU 11 3HD1 LEU 11 -0.238 -0.670 -2.567
92 HD21 LEU 11 1HD2 LEU 11 -3.777 -1.914 -2.165
93 HD22 LEU 11 2HD2 LEU 11 -3.876 -0.224 -2.663
94 HD23 LEU 11 3HD2 LEU 11 -4.189 -0.667 -0.986
95 H GLU 12 H GLU 12 -2.195 -4.094 1.374
96 HA GLU 12 HA GLU 12 -4.608 -5.175 0.463
97 HB2 GLU 12 1HB GLU 12 -2.568 -6.473 0.922
98 HB3 GLU 12 2HB GLU 12 -2.721 -6.120 2.637
99 HG2 GLU 12 1HG GLU 12 -3.469 -8.339 2.240
100 HG3 GLU 12 2HG GLU 12 -4.857 -7.340 2.659
101 H LYS 13 H LYS 13 -3.595 -4.002 3.631
102 HA LYS 13 HA LYS 13 -6.000 -4.660 5.015
103 HB2 LYS 13 1HB LYS 13 -3.823 -4.418 6.143
104 HB3 LYS 13 2HB LYS 13 -3.775 -2.717 5.704
105 HG2 LYS 13 1HG LYS 13 -4.408 -2.856 7.983
106 HG3 LYS 13 2HG LYS 13 -5.839 -2.382 7.070
107 HD2 LYS 13 1HD LYS 13 -6.671 -4.677 7.152
108 HD3 LYS 13 2HD LYS 13 -5.212 -5.191 8.004
109 HE2 LYS 13 1HE LYS 13 -7.301 -3.252 9.008
110 HE3 LYS 13 2HE LYS 13 -7.030 -4.899 9.579
111 HZ1 LYS 13 1HZ LYS 13 -5.087 -2.662 9.797
112 HZ2 LYS 13 2HZ LYS 13 -4.844 -4.236 10.362
113 HZ3 LYS 13 3HZ LYS 13 -6.035 -3.263 11.059
114 H ASN 14 H ASN 14 -4.789 -1.837 3.331
115 HA ASN 14 HA ASN 14 -7.364 -0.477 3.672
116 HB2 ASN 14 1HB ASN 14 -5.907 0.367 5.469
117 HB3 ASN 14 2HB ASN 14 -4.668 0.772 4.291
118 HD21 ASN 14 1HD2 ASN 14 -8.046 3.015 3.867
119 HD22 ASN 14 2HD2 ASN 14 -8.135 1.291 3.881
120 HA PRO 15 HA PRO 15 -5.961 -0.306 -0.702
121 HB2 PRO 15 2HB PRO 15 -8.478 -0.271 -1.755
122 HB3 PRO 15 1HB PRO 15 -7.635 -1.761 -1.310
123 HG2 PRO 15 2HG PRO 15 -9.710 -0.229 0.217
124 HG3 PRO 15 1HG PRO 15 -9.555 -1.981 -0.008
125 HD2 PRO 15 2HD PRO 15 -8.762 -0.738 2.264
126 HD3 PRO 15 1HD PRO 15 -7.939 -2.177 1.634
127 H ASN 16 H ASN 16 -5.149 1.808 -0.365
128 HA ASN 16 HA ASN 16 -7.059 3.972 -0.987
129 HB2 ASN 16 1HB ASN 16 -4.931 3.859 1.115
130 HB3 ASN 16 2HB ASN 16 -5.239 5.399 0.328
131 HD21 ASN 16 1HD2 ASN 16 -8.621 4.001 2.076
132 HD22 ASN 16 2HD2 ASN 16 -7.836 3.119 0.823
133 H ASP 17 H ASP 17 -6.380 5.563 -2.372
134 HA ASP 17 HA ASP 17 -4.726 4.836 -4.480
135 HB2 ASP 17 1HB ASP 17 -5.752 7.534 -3.584
136 HB3 ASP 17 2HB ASP 17 -4.813 7.325 -5.058
137 H GLU 18 H GLU 18 -4.019 6.961 -1.721
138 HA GLU 18 HA GLU 18 -1.449 7.714 -2.594
139 HB2 GLU 18 1HB GLU 18 -2.638 8.962 -0.858
140 HB3 GLU 18 2HB GLU 18 -2.515 7.587 0.236
141 HG2 GLU 18 1HG GLU 18 -0.177 7.825 0.444
142 HG3 GLU 18 2HG GLU 18 -0.089 8.923 -0.933
143 H ILE 19 H ILE 19 -2.545 5.008 -0.571
144 HA ILE 19 HA ILE 19 0.018 4.065 0.147
145 HB ILE 19 HB ILE 19 -2.402 2.300 -0.314
146 HG12 ILE 19 1HG1 ILE 19 -3.044 4.174 1.139
147 HG13 ILE 19 2HG1 ILE 19 -2.981 2.669 2.046
148 HG21 ILE 19 1HG2 ILE 19 -1.371 0.887 1.418
149 HG22 ILE 19 2HG2 ILE 19 -0.008 2.004 1.514
150 HG23 ILE 19 3HG2 ILE 19 -0.303 1.099 0.027
151 HD11 ILE 19 1HD1 ILE 19 -2.050 4.492 3.333
152 HD12 ILE 19 2HD1 ILE 19 -0.890 4.839 2.054
153 HD13 ILE 19 3HD1 ILE 19 -0.794 3.319 2.945
154 H LYS 20 H LYS 20 -2.117 3.358 -2.584
155 HA LYS 20 HA LYS 20 -0.523 1.512 -3.946
156 HB2 LYS 20 1HB LYS 20 -2.775 1.912 -4.671
157 HB3 LYS 20 2HB LYS 20 -2.451 3.615 -4.948
158 HG2 LYS 20 1HG LYS 20 -2.627 2.418 -7.047
159 HG3 LYS 20 2HG LYS 20 -0.990 3.040 -6.826
160 HD2 LYS 20 1HD LYS 20 -0.236 0.814 -6.114
161 HD3 LYS 20 2HD LYS 20 -1.876 0.190 -6.311
162 HE2 LYS 20 1HE LYS 20 -0.485 -0.381 -8.237
163 HE3 LYS 20 2HE LYS 20 -1.788 0.713 -8.707
164 HZ1 LYS 20 1HZ LYS 20 1.071 1.404 -8.291
165 HZ2 LYS 20 2HZ LYS 20 -0.145 2.551 -8.511
166 HZ3 LYS 20 3HZ LYS 20 0.203 1.454 -9.743
167 H LYS 21 H LYS 21 -0.483 5.055 -4.031
168 HA LYS 21 HA LYS 21 1.521 5.291 -6.020
169 HB2 LYS 21 1HB LYS 21 -0.132 7.087 -5.152
170 HB3 LYS 21 2HB LYS 21 1.027 7.342 -3.856
171 HG2 LYS 21 1HG LYS 21 1.459 8.987 -5.508
172 HG3 LYS 21 2HG LYS 21 2.761 7.801 -5.622
173 HD2 LYS 21 1HD LYS 21 1.723 6.776 -7.559
174 HD3 LYS 21 2HD LYS 21 0.307 7.815 -7.394
175 HE2 LYS 21 1HE LYS 21 1.634 8.718 -9.154
176 HE3 LYS 21 2HE LYS 21 1.825 9.787 -7.765
177 HZ1 LYS 21 1HZ LYS 21 3.939 9.407 -8.788
178 HZ2 LYS 21 2HZ LYS 21 3.750 7.733 -8.700
179 HZ3 LYS 21 3HZ LYS 21 3.935 8.633 -7.284
180 H LYS 22 H LYS 22 1.607 4.917 -2.530
181 HA LYS 22 HA LYS 22 4.392 5.508 -2.242
182 HB2 LYS 22 1HB LYS 22 2.439 4.101 -0.407
183 HB3 LYS 22 2HB LYS 22 4.111 4.433 0.024
184 HG2 LYS 22 1HG LYS 22 3.646 6.864 -0.352
185 HG3 LYS 22 2HG LYS 22 1.942 6.445 -0.556
186 HD2 LYS 22 1HD LYS 22 1.876 5.532 1.703
187 HD3 LYS 22 2HD LYS 22 3.598 5.859 1.907
188 HE2 LYS 22 1HE LYS 22 3.113 8.282 1.571
189 HE3 LYS 22 2HE LYS 22 1.396 7.893 1.541
190 HZ1 LYS 22 1HZ LYS 22 2.073 8.640 3.717
191 HZ2 LYS 22 2HZ LYS 22 3.247 7.424 3.812
192 HZ3 LYS 22 3HZ LYS 22 1.606 7.014 3.791
193 H LEU 23 H LEU 23 2.515 2.541 -2.694
194 HA LEU 23 HA LEU 23 4.706 0.750 -2.479
195 HB2 LEU 23 1HB LEU 23 2.104 0.305 -2.622
196 HB3 LEU 23 2HB LEU 23 2.403 0.233 -4.347
197 HG LEU 23 HG LEU 23 3.741 -1.540 -2.287
198 HD11 LEU 23 1HD1 LEU 23 1.476 -2.143 -4.181
199 HD12 LEU 23 2HD1 LEU 23 1.374 -2.025 -2.425
200 HD13 LEU 23 3HD1 LEU 23 2.312 -3.320 -3.166
201 HD21 LEU 23 1HD2 LEU 23 3.772 -1.664 -5.306
202 HD22 LEU 23 2HD2 LEU 23 4.450 -2.875 -4.219
203 HD23 LEU 23 3HD2 LEU 23 5.129 -1.252 -4.259
204 H GLU 24 H GLU 24 3.320 2.667 -5.069
205 HA GLU 24 HA GLU 24 4.897 1.744 -7.200
206 HB2 GLU 24 1HB GLU 24 2.864 3.175 -7.427
207 HB3 GLU 24 2HB GLU 24 3.793 4.533 -6.809
208 HG2 GLU 24 1HG GLU 24 5.351 4.262 -8.736
209 HG3 GLU 24 2HG GLU 24 4.263 3.031 -9.379
210 H LYS 25 H LYS 25 5.590 3.966 -4.582
211 HA LYS 25 HA LYS 25 7.940 5.130 -5.623
212 HB2 LYS 25 1HB LYS 25 7.129 4.519 -2.766
213 HB3 LYS 25 2HB LYS 25 8.588 5.405 -3.184
214 HG2 LYS 25 1HG LYS 25 5.784 6.250 -3.905
215 HG3 LYS 25 2HG LYS 25 6.726 6.881 -2.550
216 HD2 LYS 25 1HD LYS 25 8.421 7.715 -4.112
217 HD3 LYS 25 2HD LYS 25 7.503 7.060 -5.468
218 HE2 LYS 25 1HE LYS 25 5.644 8.560 -4.948
219 HE3 LYS 25 2HE LYS 25 6.536 9.197 -3.564
220 HZ1 LYS 25 1HZ LYS 25 8.198 10.076 -5.033
221 HZ2 LYS 25 2HZ LYS 25 6.684 10.608 -5.565
222 HZ3 LYS 25 3HZ LYS 25 7.469 9.355 -6.379
223 H CYS 26 H CYS 26 7.332 2.125 -3.902
224 HA CYS 26 HA CYS 26 10.062 1.289 -3.819
225 HB2 CYS 26 2HB CYS 26 8.497 0.373 -2.212
226 HB3 CYS 26 1HB CYS 26 7.466 -0.247 -3.502
227 H GLN 27 H GLN 27 7.366 0.830 -6.025
228 HA GLN 27 HA GLN 27 9.186 -0.454 -7.950
229 HB2 GLN 27 1HB GLN 27 6.337 -1.268 -7.319
230 HB3 GLN 27 2HB GLN 27 7.269 -1.885 -8.678
231 HG2 GLN 27 1HG GLN 27 8.842 -2.939 -7.208
232 HG3 GLN 27 2HG GLN 27 8.108 -2.175 -5.799
233 HE21 GLN 27 1HE2 GLN 27 6.550 -5.266 -5.352
234 HE22 GLN 27 2HE2 GLN 27 7.798 -4.184 -4.836
235 H ALA 28 H ALA 28 9.431 1.592 -8.901
236 HA ALA 28 HA ALA 28 7.046 2.791 -10.127
237 HB1 ALA 28 1HB ALA 28 8.403 4.802 -10.412
238 HB2 ALA 28 2HB ALA 28 9.802 3.964 -9.741
239 HB3 ALA 28 3HB ALA 28 8.396 4.279 -8.726
Start of MODEL 18
1 H1 ALA 1 1H ALA 1 12.388 4.662 4.390
2 H2 ALA 1 2H ALA 1 10.740 4.307 4.326
3 H3 ALA 1 3H ALA 1 11.280 5.869 3.972
4 HA ALA 1 HA ALA 1 10.708 4.720 1.952
5 HB1 ALA 1 1HB ALA 1 12.549 6.335 1.875
6 HB2 ALA 1 2HB ALA 1 12.821 5.007 0.747
7 HB3 ALA 1 3HB ALA 1 13.695 5.057 2.279
8 H GLU 2 H GLU 2 11.098 2.973 0.496
9 HA GLU 2 HA GLU 2 11.290 0.779 -0.049
10 HB2 GLU 2 1HB GLU 2 13.735 1.415 0.357
11 HB3 GLU 2 2HB GLU 2 13.577 0.642 1.927
12 HG2 GLU 2 1HG GLU 2 12.967 -1.469 0.776
13 HG3 GLU 2 2HG GLU 2 13.257 -0.670 -0.768
14 H ASP 3 H ASP 3 9.592 1.597 2.143
15 HA ASP 3 HA ASP 3 9.669 -0.528 4.124
16 HB2 ASP 3 1HB ASP 3 7.605 1.652 3.675
17 HB3 ASP 3 2HB ASP 3 7.690 0.590 5.075
18 H CYS 4 H CYS 4 9.355 -1.363 1.413
19 HA CYS 4 HA CYS 4 6.828 -1.560 0.376
20 HB2 CYS 4 2HB CYS 4 8.980 -3.673 0.161
21 HB3 CYS 4 1HB CYS 4 7.666 -3.389 -0.978
22 H GLU 5 H GLU 5 8.351 -3.652 2.762
23 HA GLU 5 HA GLU 5 6.519 -5.728 2.928
24 HB2 GLU 5 1HB GLU 5 8.614 -5.725 4.176
25 HB3 GLU 5 2HB GLU 5 8.085 -4.345 5.127
26 HG2 GLU 5 1HG GLU 5 7.813 -6.183 6.543
27 HG3 GLU 5 2HG GLU 5 6.190 -5.832 5.955
28 H ARG 6 H ARG 6 6.572 -2.745 4.838
29 HA ARG 6 HA ARG 6 4.167 -3.316 6.234
30 HB2 ARG 6 1HB ARG 6 5.483 -0.603 5.911
31 HB3 ARG 6 2HB ARG 6 4.375 -1.093 7.183
32 HG2 ARG 6 1HG ARG 6 6.367 -1.252 8.299
33 HG3 ARG 6 2HG ARG 6 6.237 -2.896 7.675
34 HD2 ARG 6 1HD ARG 6 7.594 -2.060 5.673
35 HD3 ARG 6 2HD ARG 6 7.934 -0.630 6.646
36 HE ARG 6 HE ARG 6 8.593 -3.310 7.677
37 HH11 ARG 6 1HH1 ARG 6 9.634 -0.083 6.719
38 HH12 ARG 6 2HH1 ARG 6 11.270 -0.344 7.229
39 HH21 ARG 6 1HH2 ARG 6 10.755 -3.634 8.297
40 HH22 ARG 6 2HH2 ARG 6 11.919 -2.364 8.074
41 H ILE 7 H ILE 7 4.987 -1.192 3.534
42 HA ILE 7 HA ILE 7 2.484 0.043 3.240
43 HB ILE 7 HB ILE 7 4.523 -0.496 1.065
44 HG12 ILE 7 1HG1 ILE 7 4.241 1.931 2.868
45 HG13 ILE 7 2HG1 ILE 7 5.471 0.683 3.052
46 HG21 ILE 7 1HG2 ILE 7 2.350 0.175 0.182
47 HG22 ILE 7 2HG2 ILE 7 3.533 1.464 -0.037
48 HG23 ILE 7 3HG2 ILE 7 2.331 1.579 1.250
49 HD11 ILE 7 1HD1 ILE 7 5.149 2.513 0.681
50 HD12 ILE 7 2HD1 ILE 7 6.380 1.261 0.859
51 HD13 ILE 7 3HD1 ILE 7 6.368 2.648 1.948
52 H ARG 8 H ARG 8 3.832 -2.870 1.695
53 HA ARG 8 HA ARG 8 1.637 -3.380 -0.008
54 HB2 ARG 8 1HB ARG 8 3.846 -4.442 -0.305
55 HB3 ARG 8 2HB ARG 8 3.614 -5.350 1.176
56 HG2 ARG 8 1HG ARG 8 3.192 -6.693 -0.846
57 HG3 ARG 8 2HG ARG 8 1.781 -6.581 0.208
58 HD2 ARG 8 1HD ARG 8 0.854 -4.820 -1.246
59 HD3 ARG 8 2HD ARG 8 2.261 -4.963 -2.303
60 HE ARG 8 HE ARG 8 1.517 -7.317 -2.685
61 HH11 ARG 8 1HH1 ARG 8 -0.796 -4.888 -1.687
62 HH12 ARG 8 2HH1 ARG 8 -2.146 -5.669 -2.445
63 HH21 ARG 8 1HH2 ARG 8 -0.257 -8.360 -3.671
64 HH22 ARG 8 2HH2 ARG 8 -1.843 -7.659 -3.562
65 H LYS 9 H LYS 9 2.548 -4.719 3.142
66 HA LYS 9 HA LYS 9 0.345 -6.380 3.535
67 HB2 LYS 9 1HB LYS 9 2.331 -6.479 4.948
68 HB3 LYS 9 2HB LYS 9 1.983 -4.881 5.594
69 HG2 LYS 9 1HG LYS 9 -0.023 -5.710 6.672
70 HG3 LYS 9 2HG LYS 9 0.217 -7.302 5.949
71 HD2 LYS 9 1HD LYS 9 0.956 -7.254 8.291
72 HD3 LYS 9 2HD LYS 9 2.298 -7.575 7.193
73 HE2 LYS 9 1HE LYS 9 2.965 -5.211 7.340
74 HE3 LYS 9 2HE LYS 9 1.637 -4.911 8.461
75 HZ1 LYS 9 1HZ LYS 9 3.888 -6.789 8.938
76 HZ2 LYS 9 2HZ LYS 9 2.642 -6.440 10.021
77 HZ3 LYS 9 3HZ LYS 9 3.753 -5.239 9.598
78 H GLU 10 H GLU 10 0.668 -2.919 4.052
79 HA GLU 10 HA GLU 10 -1.895 -2.637 5.304
80 HB2 GLU 10 1HB GLU 10 -0.015 -1.119 5.780
81 HB3 GLU 10 2HB GLU 10 -0.002 -0.603 4.099
82 HG2 GLU 10 1HG GLU 10 -2.180 0.381 4.343
83 HG3 GLU 10 2HG GLU 10 -2.303 -0.225 5.990
84 H LEU 11 H LEU 11 -0.578 -2.561 2.090
85 HA LEU 11 HA LEU 11 -2.625 -1.068 0.812
86 HB2 LEU 11 1HB LEU 11 -0.387 -1.288 -0.131
87 HB3 LEU 11 2HB LEU 11 -0.605 -3.018 -0.303
88 HG LEU 11 HG LEU 11 -2.363 -2.633 -1.995
89 HD11 LEU 11 1HD1 LEU 11 -1.670 0.285 -1.660
90 HD12 LEU 11 2HD1 LEU 11 -3.192 -0.484 -1.208
91 HD13 LEU 11 3HD1 LEU 11 -2.722 -0.391 -2.904
92 HD21 LEU 11 1HD2 LEU 11 0.243 -1.210 -2.565
93 HD22 LEU 11 2HD2 LEU 11 -0.893 -1.805 -3.777
94 HD23 LEU 11 3HD2 LEU 11 -0.058 -2.943 -2.722
95 H GLU 12 H GLU 12 -2.045 -4.544 1.198
96 HA GLU 12 HA GLU 12 -4.066 -5.484 -0.486
97 HB2 GLU 12 1HB GLU 12 -4.025 -7.549 0.953
98 HB3 GLU 12 2HB GLU 12 -2.456 -7.039 0.346
99 HG2 GLU 12 1HG GLU 12 -1.840 -6.139 2.468
100 HG3 GLU 12 2HG GLU 12 -3.472 -6.364 3.095
101 H LYS 13 H LYS 13 -4.220 -4.294 2.808
102 HA LYS 13 HA LYS 13 -7.005 -5.001 3.140
103 HB2 LYS 13 1HB LYS 13 -5.530 -4.948 5.095
104 HB3 LYS 13 2HB LYS 13 -5.187 -3.245 4.809
105 HG2 LYS 13 1HG LYS 13 -7.594 -2.747 5.172
106 HG3 LYS 13 2HG LYS 13 -7.846 -4.445 5.580
107 HD2 LYS 13 1HD LYS 13 -6.010 -2.532 7.034
108 HD3 LYS 13 2HD LYS 13 -7.607 -3.041 7.584
109 HE2 LYS 13 1HE LYS 13 -6.803 -5.374 7.676
110 HE3 LYS 13 2HE LYS 13 -5.202 -4.827 7.178
111 HZ1 LYS 13 1HZ LYS 13 -6.612 -4.040 9.671
112 HZ2 LYS 13 2HZ LYS 13 -5.094 -3.477 9.192
113 HZ3 LYS 13 3HZ LYS 13 -5.310 -5.112 9.562
114 H ASN 14 H ASN 14 -5.146 -1.994 2.831
115 HA ASN 14 HA ASN 14 -7.622 -0.570 2.097
116 HB2 ASN 14 1HB ASN 14 -6.703 0.200 4.228
117 HB3 ASN 14 2HB ASN 14 -5.131 0.465 3.485
118 HD21 ASN 14 1HD2 ASN 14 -5.918 3.597 2.195
119 HD22 ASN 14 2HD2 ASN 14 -4.800 2.278 2.241
120 HA PRO 15 HA PRO 15 -4.998 -0.507 -1.650
121 HB2 PRO 15 2HB PRO 15 -6.939 -0.886 -3.450
122 HB3 PRO 15 1HB PRO 15 -6.388 -2.212 -2.417
123 HG2 PRO 15 2HG PRO 15 -8.818 -0.474 -2.133
124 HG3 PRO 15 1HG PRO 15 -8.673 -2.231 -1.938
125 HD2 PRO 15 2HD PRO 15 -8.666 -0.435 0.153
126 HD3 PRO 15 1HD PRO 15 -7.927 -2.047 0.220
127 H ASN 16 H ASN 16 -5.560 1.894 -0.350
128 HA ASN 16 HA ASN 16 -6.994 3.665 -2.138
129 HB2 ASN 16 1HB ASN 16 -7.191 4.065 0.246
130 HB3 ASN 16 2HB ASN 16 -5.443 4.186 0.412
131 HD21 ASN 16 1HD2 ASN 16 -7.635 7.332 -0.933
132 HD22 ASN 16 2HD2 ASN 16 -8.325 5.750 -0.788
133 H ASP 17 H ASP 17 -6.071 5.440 -3.222
134 HA ASP 17 HA ASP 17 -3.903 4.850 -4.807
135 HB2 ASP 17 1HB ASP 17 -3.900 7.301 -5.418
136 HB3 ASP 17 2HB ASP 17 -5.451 6.486 -5.568
137 H GLU 18 H GLU 18 -3.885 6.815 -1.831
138 HA GLU 18 HA GLU 18 -1.275 7.762 -1.940
139 HB2 GLU 18 1HB GLU 18 -2.974 6.943 0.420
140 HB3 GLU 18 2HB GLU 18 -1.367 7.624 0.625
141 HG2 GLU 18 1HG GLU 18 -3.681 8.981 -0.750
142 HG3 GLU 18 2HG GLU 18 -3.132 9.296 0.895
143 H ILE 19 H ILE 19 -2.448 4.660 -0.704
144 HA ILE 19 HA ILE 19 0.171 3.838 0.177
145 HB ILE 19 HB ILE 19 -2.403 2.234 0.000
146 HG12 ILE 19 1HG1 ILE 19 -2.371 2.522 2.523
147 HG13 ILE 19 2HG1 ILE 19 -1.098 3.715 2.303
148 HG21 ILE 19 1HG2 ILE 19 -1.290 0.652 1.519
149 HG22 ILE 19 2HG2 ILE 19 0.198 1.591 1.399
150 HG23 ILE 19 3HG2 ILE 19 -0.450 0.779 -0.027
151 HD11 ILE 19 1HD1 ILE 19 -3.908 3.893 1.242
152 HD12 ILE 19 2HD1 ILE 19 -2.635 5.084 0.976
153 HD13 ILE 19 3HD1 ILE 19 -3.235 4.785 2.605
154 H LYS 20 H LYS 20 -1.982 3.181 -2.516
155 HA LYS 20 HA LYS 20 -0.584 1.059 -3.706
156 HB2 LYS 20 1HB LYS 20 -2.862 1.725 -4.364
157 HB3 LYS 20 2HB LYS 20 -2.239 3.235 -5.019
158 HG2 LYS 20 1HG LYS 20 -0.908 1.932 -6.660
159 HG3 LYS 20 2HG LYS 20 -1.649 0.456 -6.035
160 HD2 LYS 20 1HD LYS 20 -3.865 1.292 -6.673
161 HD3 LYS 20 2HD LYS 20 -3.135 2.778 -7.283
162 HE2 LYS 20 1HE LYS 20 -1.856 1.441 -8.923
163 HE3 LYS 20 2HE LYS 20 -2.658 -0.015 -8.333
164 HZ1 LYS 20 1HZ LYS 20 -3.991 2.316 -9.606
165 HZ2 LYS 20 2HZ LYS 20 -4.780 0.944 -9.013
166 HZ3 LYS 20 3HZ LYS 20 -3.721 0.808 -10.321
167 H LYS 21 H LYS 21 -0.357 4.559 -4.179
168 HA LYS 21 HA LYS 21 1.779 4.468 -6.052
169 HB2 LYS 21 1HB LYS 21 0.247 6.402 -5.829
170 HB3 LYS 21 2HB LYS 21 0.903 6.729 -4.231
171 HG2 LYS 21 1HG LYS 21 3.109 7.157 -5.230
172 HG3 LYS 21 2HG LYS 21 2.431 6.853 -6.832
173 HD2 LYS 21 1HD LYS 21 1.578 9.042 -4.927
174 HD3 LYS 21 2HD LYS 21 2.580 9.254 -6.363
175 HE2 LYS 21 1HE LYS 21 -0.273 8.256 -6.350
176 HE3 LYS 21 2HE LYS 21 0.234 9.894 -6.759
177 HZ1 LYS 21 1HZ LYS 21 1.484 9.015 -8.617
178 HZ2 LYS 21 2HZ LYS 21 -0.138 8.550 -8.729
179 HZ3 LYS 21 3HZ LYS 21 1.027 7.436 -8.222
180 H LYS 22 H LYS 22 1.559 4.832 -2.549
181 HA LYS 22 HA LYS 22 4.198 5.411 -1.907
182 HB2 LYS 22 1HB LYS 22 2.003 5.059 -0.439
183 HB3 LYS 22 2HB LYS 22 2.667 3.447 -0.228
184 HG2 LYS 22 1HG LYS 22 3.424 4.641 1.624
185 HG3 LYS 22 2HG LYS 22 4.812 4.622 0.533
186 HD2 LYS 22 1HD LYS 22 4.309 6.883 -0.201
187 HD3 LYS 22 2HD LYS 22 2.835 6.902 0.769
188 HE2 LYS 22 1HE LYS 22 4.265 6.586 2.801
189 HE3 LYS 22 2HE LYS 22 5.680 6.789 1.770
190 HZ1 LYS 22 1HZ LYS 22 5.116 8.858 2.827
191 HZ2 LYS 22 2HZ LYS 22 3.539 8.795 2.228
192 HZ3 LYS 22 3HZ LYS 22 4.838 8.999 1.166
193 H LEU 23 H LEU 23 2.630 2.303 -2.471
194 HA LEU 23 HA LEU 23 4.934 0.690 -2.031
195 HB2 LEU 23 1HB LEU 23 2.455 0.030 -1.943
196 HB3 LEU 23 2HB LEU 23 2.512 -0.036 -3.690
197 HG LEU 23 HG LEU 23 2.703 -2.246 -2.467
198 HD11 LEU 23 1HD1 LEU 23 4.968 -1.549 -4.328
199 HD12 LEU 23 2HD1 LEU 23 3.337 -2.017 -4.810
200 HD13 LEU 23 3HD1 LEU 23 4.370 -3.168 -3.964
201 HD21 LEU 23 1HD2 LEU 23 4.173 -1.518 -0.663
202 HD22 LEU 23 2HD2 LEU 23 5.470 -1.222 -1.822
203 HD23 LEU 23 3HD2 LEU 23 4.878 -2.863 -1.557
204 H GLU 24 H GLU 24 3.419 2.146 -4.857
205 HA GLU 24 HA GLU 24 4.854 0.916 -6.902
206 HB2 GLU 24 1HB GLU 24 2.880 2.359 -7.247
207 HB3 GLU 24 2HB GLU 24 3.823 3.764 -6.774
208 HG2 GLU 24 1HG GLU 24 3.663 3.761 -9.141
209 HG3 GLU 24 2HG GLU 24 5.321 3.334 -8.724
210 H LYS 25 H LYS 25 5.648 3.800 -4.987
211 HA LYS 25 HA LYS 25 8.259 3.969 -6.339
212 HB2 LYS 25 1HB LYS 25 8.396 6.240 -5.369
213 HB3 LYS 25 2HB LYS 25 6.988 6.024 -6.398
214 HG2 LYS 25 1HG LYS 25 5.592 5.718 -4.389
215 HG3 LYS 25 2HG LYS 25 7.012 6.008 -3.383
216 HD2 LYS 25 1HD LYS 25 7.235 8.254 -4.298
217 HD3 LYS 25 2HD LYS 25 5.877 7.965 -5.389
218 HE2 LYS 25 1HE LYS 25 4.378 7.717 -3.481
219 HE3 LYS 25 2HE LYS 25 5.730 7.948 -2.371
220 HZ1 LYS 25 1HZ LYS 25 4.753 9.960 -4.325
221 HZ2 LYS 25 2HZ LYS 25 6.014 10.177 -3.219
222 HZ3 LYS 25 3HZ LYS 25 4.430 9.968 -2.664
223 H CYS 26 H CYS 26 7.383 2.115 -4.089
224 HA CYS 26 HA CYS 26 8.818 2.847 -1.757
225 HB2 CYS 26 2HB CYS 26 7.068 1.139 -1.705
226 HB3 CYS 26 1HB CYS 26 8.011 0.110 -2.777
227 H GLN 27 H GLN 27 9.696 1.196 -4.720
228 HA GLN 27 HA GLN 27 12.104 0.020 -3.971
229 HB2 GLN 27 1HB GLN 27 11.280 1.183 -6.643
230 HB3 GLN 27 2HB GLN 27 12.695 0.168 -6.402
231 HG2 GLN 27 1HG GLN 27 9.861 -0.689 -5.828
232 HG3 GLN 27 2HG GLN 27 10.732 -1.035 -7.322
233 HE21 GLN 27 1HE2 GLN 27 12.656 -3.629 -5.984
234 HE22 GLN 27 2HE2 GLN 27 12.449 -2.508 -7.282
235 H ALA 28 H ALA 28 11.382 3.356 -4.786
236 HA ALA 28 HA ALA 28 14.129 4.099 -4.074
237 HB1 ALA 28 1HB ALA 28 14.274 5.658 -5.955
238 HB2 ALA 28 2HB ALA 28 12.697 5.121 -6.535
239 HB3 ALA 28 3HB ALA 28 14.061 4.003 -6.525
Start of MODEL 19
1 H1 ALA 1 1H ALA 1 14.526 -0.759 7.697
2 H2 ALA 1 2H ALA 1 15.684 -0.719 6.462
3 H3 ALA 1 3H ALA 1 15.890 -1.760 7.774
4 HA ALA 1 HA ALA 1 15.160 -2.978 5.847
5 HB1 ALA 1 1HB ALA 1 13.213 -4.089 6.845
6 HB2 ALA 1 2HB ALA 1 13.011 -2.738 7.962
7 HB3 ALA 1 3HB ALA 1 14.448 -3.756 8.061
8 H GLU 2 H GLU 2 13.890 -3.103 4.038
9 HA GLU 2 HA GLU 2 12.751 -0.720 3.073
10 HB2 GLU 2 1HB GLU 2 12.335 -3.534 2.023
11 HB3 GLU 2 2HB GLU 2 12.008 -2.044 1.146
12 HG2 GLU 2 1HG GLU 2 14.663 -3.190 1.954
13 HG3 GLU 2 2HG GLU 2 14.069 -2.832 0.334
14 H ASP 3 H ASP 3 10.836 0.153 3.373
15 HA ASP 3 HA ASP 3 8.930 -1.124 5.090
16 HB2 ASP 3 1HB ASP 3 7.673 0.985 4.926
17 HB3 ASP 3 2HB ASP 3 9.357 1.261 5.334
18 H CYS 4 H CYS 4 9.457 -1.483 1.871
19 HA CYS 4 HA CYS 4 7.077 -1.459 0.546
20 HB2 CYS 4 2HB CYS 4 9.202 -3.615 0.531
21 HB3 CYS 4 1HB CYS 4 7.861 -3.573 -0.609
22 H GLU 5 H GLU 5 8.131 -3.865 2.915
23 HA GLU 5 HA GLU 5 6.010 -5.666 2.767
24 HB2 GLU 5 1HB GLU 5 7.996 -6.149 4.080
25 HB3 GLU 5 2HB GLU 5 7.674 -4.789 5.146
26 HG2 GLU 5 1HG GLU 5 5.605 -5.920 5.905
27 HG3 GLU 5 2HG GLU 5 6.032 -7.307 4.904
28 H ARG 6 H ARG 6 6.350 -2.673 4.589
29 HA ARG 6 HA ARG 6 3.905 -2.972 6.037
30 HB2 ARG 6 1HB ARG 6 5.762 -0.603 5.678
31 HB3 ARG 6 2HB ARG 6 4.360 -0.588 6.734
32 HG2 ARG 6 1HG ARG 6 6.197 -1.038 8.131
33 HG3 ARG 6 2HG ARG 6 5.387 -2.590 7.915
34 HD2 ARG 6 1HD ARG 6 7.114 -2.769 5.893
35 HD3 ARG 6 2HD ARG 6 8.029 -1.655 6.905
36 HE ARG 6 HE ARG 6 7.173 -4.368 7.688
37 HH11 ARG 6 1HH1 ARG 6 9.303 -1.615 8.099
38 HH12 ARG 6 2HH1 ARG 6 10.405 -2.474 9.130
39 HH21 ARG 6 1HH2 ARG 6 8.629 -5.502 8.967
40 HH22 ARG 6 2HH2 ARG 6 10.029 -4.700 9.614
41 H ILE 7 H ILE 7 4.948 -1.008 3.268
42 HA ILE 7 HA ILE 7 2.572 0.389 2.812
43 HB ILE 7 HB ILE 7 4.494 -0.653 0.704
44 HG12 ILE 7 1HG1 ILE 7 4.540 1.964 2.238
45 HG13 ILE 7 2HG1 ILE 7 5.669 0.629 2.451
46 HG21 ILE 7 1HG2 ILE 7 3.717 1.209 -0.662
47 HG22 ILE 7 2HG2 ILE 7 2.602 1.702 0.617
48 HG23 ILE 7 3HG2 ILE 7 2.369 0.162 -0.213
49 HD11 ILE 7 1HD1 ILE 7 6.443 0.942 0.145
50 HD12 ILE 7 2HD1 ILE 7 6.664 2.384 1.132
51 HD13 ILE 7 3HD1 ILE 7 5.338 2.307 -0.027
52 H ARG 8 H ARG 8 3.658 -2.661 1.263
53 HA ARG 8 HA ARG 8 1.372 -3.470 -0.012
54 HB2 ARG 8 1HB ARG 8 3.464 -4.772 -0.034
55 HB3 ARG 8 2HB ARG 8 3.218 -5.204 1.654
56 HG2 ARG 8 1HG ARG 8 1.016 -6.256 0.887
57 HG3 ARG 8 2HG ARG 8 1.652 -6.098 -0.750
58 HD2 ARG 8 1HD ARG 8 2.938 -7.614 1.522
59 HD3 ARG 8 2HD ARG 8 2.075 -8.328 0.161
60 HE ARG 8 HE ARG 8 4.773 -7.310 0.191
61 HH11 ARG 8 1HH1 ARG 8 2.024 -8.091 -1.832
62 HH12 ARG 8 2HH1 ARG 8 2.983 -8.343 -3.255
63 HH21 ARG 8 1HH2 ARG 8 6.042 -7.680 -1.654
64 HH22 ARG 8 2HH2 ARG 8 5.279 -8.126 -3.151
65 H LYS 9 H LYS 9 2.215 -4.096 3.366
66 HA LYS 9 HA LYS 9 -0.045 -5.538 4.097
67 HB2 LYS 9 1HB LYS 9 2.147 -5.238 5.359
68 HB3 LYS 9 2HB LYS 9 1.514 -3.699 5.919
69 HG2 LYS 9 1HG LYS 9 -0.358 -4.877 6.994
70 HG3 LYS 9 2HG LYS 9 0.326 -6.416 6.460
71 HD2 LYS 9 1HD LYS 9 2.441 -5.757 7.709
72 HD3 LYS 9 2HD LYS 9 1.506 -4.438 8.416
73 HE2 LYS 9 1HE LYS 9 1.520 -6.287 9.953
74 HE3 LYS 9 2HE LYS 9 -0.106 -6.124 9.284
75 HZ1 LYS 9 1HZ LYS 9 0.585 -8.426 9.333
76 HZ2 LYS 9 2HZ LYS 9 1.952 -8.077 8.403
77 HZ3 LYS 9 3HZ LYS 9 0.406 -7.916 7.734
78 H GLU 10 H GLU 10 0.530 -2.077 4.081
79 HA GLU 10 HA GLU 10 -1.913 -1.365 5.391
80 HB2 GLU 10 1HB GLU 10 0.022 0.255 3.712
81 HB3 GLU 10 2HB GLU 10 -1.315 0.943 4.620
82 HG2 GLU 10 1HG GLU 10 1.011 -0.569 5.800
83 HG3 GLU 10 2HG GLU 10 0.830 1.184 5.781
84 H LEU 11 H LEU 11 -0.889 -1.939 2.121
85 HA LEU 11 HA LEU 11 -3.145 -0.591 0.899
86 HB2 LEU 11 1HB LEU 11 -0.894 -0.667 -0.157
87 HB3 LEU 11 2HB LEU 11 -1.064 -2.403 -0.347
88 HG LEU 11 HG LEU 11 -2.983 -2.048 -1.857
89 HD11 LEU 11 1HD1 LEU 11 -3.832 0.037 -0.961
90 HD12 LEU 11 2HD1 LEU 11 -3.491 0.208 -2.682
91 HD13 LEU 11 3HD1 LEU 11 -2.379 0.887 -1.492
92 HD21 LEU 11 1HD2 LEU 11 -1.727 -1.159 -3.754
93 HD22 LEU 11 2HD2 LEU 11 -0.740 -2.254 -2.788
94 HD23 LEU 11 3HD2 LEU 11 -0.512 -0.510 -2.655
95 H GLU 12 H GLU 12 -2.224 -3.834 1.783
96 HA GLU 12 HA GLU 12 -3.989 -5.306 0.227
97 HB2 GLU 12 1HB GLU 12 -2.015 -6.114 1.595
98 HB3 GLU 12 2HB GLU 12 -3.036 -5.969 3.020
99 HG2 GLU 12 1HG GLU 12 -3.059 -8.225 2.354
100 HG3 GLU 12 2HG GLU 12 -4.627 -7.536 1.940
101 H LYS 13 H LYS 13 -4.323 -3.866 3.438
102 HA LYS 13 HA LYS 13 -7.067 -4.739 3.716
103 HB2 LYS 13 1HB LYS 13 -5.391 -2.871 5.417
104 HB3 LYS 13 2HB LYS 13 -7.013 -3.420 5.826
105 HG2 LYS 13 1HG LYS 13 -4.573 -5.169 5.509
106 HG3 LYS 13 2HG LYS 13 -5.333 -4.696 7.031
107 HD2 LYS 13 1HD LYS 13 -7.349 -5.904 6.452
108 HD3 LYS 13 2HD LYS 13 -6.710 -6.279 4.851
109 HE2 LYS 13 1HE LYS 13 -6.501 -8.216 6.278
110 HE3 LYS 13 2HE LYS 13 -4.896 -7.582 5.916
111 HZ1 LYS 13 1HZ LYS 13 -6.408 -7.090 8.429
112 HZ2 LYS 13 2HZ LYS 13 -4.851 -6.537 8.082
113 HZ3 LYS 13 3HZ LYS 13 -5.139 -8.193 8.250
114 H ASN 14 H ASN 14 -5.436 -1.569 3.486
115 HA ASN 14 HA ASN 14 -8.010 -0.377 2.682
116 HB2 ASN 14 1HB ASN 14 -5.564 0.893 3.941
117 HB3 ASN 14 2HB ASN 14 -6.973 1.792 3.389
118 HD21 ASN 14 1HD2 ASN 14 -8.964 -0.057 5.995
119 HD22 ASN 14 2HD2 ASN 14 -8.941 -0.114 4.266
120 HA PRO 15 HA PRO 15 -5.871 0.011 -1.299
121 HB2 PRO 15 2HB PRO 15 -8.082 0.630 -2.743
122 HB3 PRO 15 1HB PRO 15 -7.709 -1.024 -2.245
123 HG2 PRO 15 2HG PRO 15 -9.610 0.940 -1.011
124 HG3 PRO 15 1HG PRO 15 -9.838 -0.792 -1.330
125 HD2 PRO 15 2HD PRO 15 -9.181 0.186 1.128
126 HD3 PRO 15 1HD PRO 15 -8.685 -1.422 0.563
127 H ASN 16 H ASN 16 -5.158 1.970 0.207
128 HA ASN 16 HA ASN 16 -6.448 4.488 -0.330
129 HB2 ASN 16 1HB ASN 16 -5.393 4.114 1.840
130 HB3 ASN 16 2HB ASN 16 -3.836 3.835 1.066
131 HD21 ASN 16 1HD2 ASN 16 -5.178 7.602 1.750
132 HD22 ASN 16 2HD2 ASN 16 -6.175 6.214 2.022
133 H ASP 17 H ASP 17 -5.900 6.003 -1.760
134 HA ASP 17 HA ASP 17 -4.631 5.504 -4.130
135 HB2 ASP 17 1HB ASP 17 -4.873 8.156 -2.683
136 HB3 ASP 17 2HB ASP 17 -4.431 7.987 -4.378
137 H GLU 18 H GLU 18 -3.219 7.380 -1.456
138 HA GLU 18 HA GLU 18 -0.724 7.725 -2.670
139 HB2 GLU 18 1HB GLU 18 -1.537 7.832 0.235
140 HB3 GLU 18 2HB GLU 18 0.067 8.271 -0.337
141 HG2 GLU 18 1HG GLU 18 -2.540 9.596 -1.070
142 HG3 GLU 18 2HG GLU 18 -1.258 10.258 -0.055
143 H ILE 19 H ILE 19 -1.765 5.353 -0.218
144 HA ILE 19 HA ILE 19 0.680 4.119 0.209
145 HB ILE 19 HB ILE 19 -2.059 2.829 0.226
146 HG12 ILE 19 1HG1 ILE 19 -1.867 4.711 1.787
147 HG13 ILE 19 2HG1 ILE 19 -1.941 3.191 2.670
148 HG21 ILE 19 1HG2 ILE 19 -1.043 1.110 1.672
149 HG22 ILE 19 2HG2 ILE 19 0.542 1.834 1.402
150 HG23 ILE 19 3HG2 ILE 19 -0.342 1.119 0.054
151 HD11 ILE 19 1HD1 ILE 19 -0.315 4.699 3.648
152 HD12 ILE 19 2HD1 ILE 19 0.551 4.791 2.114
153 HD13 ILE 19 3HD1 ILE 19 0.480 3.266 2.998
154 H LYS 20 H LYS 20 -1.781 3.313 -2.248
155 HA LYS 20 HA LYS 20 -0.361 1.182 -3.428
156 HB2 LYS 20 1HB LYS 20 -2.799 1.816 -3.837
157 HB3 LYS 20 2HB LYS 20 -2.200 3.067 -4.919
158 HG2 LYS 20 1HG LYS 20 -1.038 1.276 -6.229
159 HG3 LYS 20 2HG LYS 20 -1.848 0.085 -5.211
160 HD2 LYS 20 1HD LYS 20 -3.208 0.230 -7.119
161 HD3 LYS 20 2HD LYS 20 -4.034 1.233 -5.923
162 HE2 LYS 20 1HE LYS 20 -4.048 2.437 -7.978
163 HE3 LYS 20 2HE LYS 20 -2.865 3.222 -6.934
164 HZ1 LYS 20 1HZ LYS 20 -1.108 2.018 -8.109
165 HZ2 LYS 20 2HZ LYS 20 -2.017 2.969 -9.170
166 HZ3 LYS 20 3HZ LYS 20 -2.263 1.301 -9.116
167 H LYS 21 H LYS 21 -0.450 4.644 -4.103
168 HA LYS 21 HA LYS 21 1.238 4.544 -6.384
169 HB2 LYS 21 1HB LYS 21 -0.383 6.337 -6.044
170 HB3 LYS 21 2HB LYS 21 0.465 6.866 -4.600
171 HG2 LYS 21 1HG LYS 21 2.243 7.756 -5.814
172 HG3 LYS 21 2HG LYS 21 1.859 6.814 -7.255
173 HD2 LYS 21 1HD LYS 21 1.304 9.243 -7.448
174 HD3 LYS 21 2HD LYS 21 -0.069 8.168 -7.713
175 HE2 LYS 21 1HE LYS 21 -0.692 10.093 -6.341
176 HE3 LYS 21 2HE LYS 21 -0.854 8.591 -5.437
177 HZ1 LYS 21 1HZ LYS 21 0.171 10.334 -4.116
178 HZ2 LYS 21 2HZ LYS 21 1.427 10.486 -5.237
179 HZ3 LYS 21 3HZ LYS 21 1.249 9.056 -4.357
180 H LYS 22 H LYS 22 1.901 4.511 -3.000
181 HA LYS 22 HA LYS 22 4.664 5.327 -3.294
182 HB2 LYS 22 1HB LYS 22 3.316 3.906 -0.974
183 HB3 LYS 22 2HB LYS 22 4.925 4.615 -0.949
184 HG2 LYS 22 1HG LYS 22 2.320 6.102 -1.250
185 HG3 LYS 22 2HG LYS 22 3.340 6.053 0.185
186 HD2 LYS 22 1HD LYS 22 5.122 7.214 -1.015
187 HD3 LYS 22 2HD LYS 22 4.159 7.199 -2.495
188 HE2 LYS 22 1HE LYS 22 2.450 8.578 -1.391
189 HE3 LYS 22 2HE LYS 22 3.414 8.595 0.083
190 HZ1 LYS 22 1HZ LYS 22 3.668 10.614 -1.260
191 HZ2 LYS 22 2HZ LYS 22 4.306 9.695 -2.526
192 HZ3 LYS 22 3HZ LYS 22 5.130 9.794 -1.058
193 H LEU 23 H LEU 23 2.890 2.296 -2.746
194 HA LEU 23 HA LEU 23 5.109 0.561 -2.857
195 HB2 LEU 23 1HB LEU 23 2.715 0.057 -2.083
196 HB3 LEU 23 2HB LEU 23 2.320 -0.141 -3.777
197 HG LEU 23 HG LEU 23 3.994 -1.978 -3.923
198 HD11 LEU 23 1HD1 LEU 23 4.194 -1.658 -0.932
199 HD12 LEU 23 2HD1 LEU 23 5.462 -1.280 -2.098
200 HD13 LEU 23 3HD1 LEU 23 4.921 -2.945 -1.895
201 HD21 LEU 23 1HD2 LEU 23 2.669 -3.636 -2.716
202 HD22 LEU 23 2HD2 LEU 23 1.632 -2.474 -3.544
203 HD23 LEU 23 3HD2 LEU 23 1.880 -2.350 -1.802
204 H GLU 24 H GLU 24 3.261 2.184 -5.265
205 HA GLU 24 HA GLU 24 3.695 0.704 -7.561
206 HB2 GLU 24 1HB GLU 24 2.374 2.945 -7.092
207 HB3 GLU 24 2HB GLU 24 3.861 3.707 -7.635
208 HG2 GLU 24 1HG GLU 24 2.446 3.584 -9.513
209 HG3 GLU 24 2HG GLU 24 3.667 2.329 -9.739
210 H LYS 25 H LYS 25 5.850 2.915 -5.869
211 HA LYS 25 HA LYS 25 7.851 2.887 -7.950
212 HB2 LYS 25 1HB LYS 25 7.805 4.005 -5.145
213 HB3 LYS 25 2HB LYS 25 9.269 4.010 -6.118
214 HG2 LYS 25 1HG LYS 25 8.198 6.156 -6.283
215 HG3 LYS 25 2HG LYS 25 8.086 5.335 -7.841
216 HD2 LYS 25 1HD LYS 25 5.773 4.629 -7.237
217 HD3 LYS 25 2HD LYS 25 5.906 5.588 -5.764
218 HE2 LYS 25 1HE LYS 25 4.706 6.821 -7.484
219 HE3 LYS 25 2HE LYS 25 6.239 7.609 -7.119
220 HZ1 LYS 25 1HZ LYS 25 5.808 7.507 -9.502
221 HZ2 LYS 25 2HZ LYS 25 5.745 5.818 -9.436
222 HZ3 LYS 25 3HZ LYS 25 7.190 6.623 -9.095
223 H CYS 26 H CYS 26 7.176 1.150 -5.004
224 HA CYS 26 HA CYS 26 9.716 -0.157 -4.835
225 HB2 CYS 26 2HB CYS 26 8.367 0.032 -2.829
226 HB3 CYS 26 1HB CYS 26 7.029 -0.819 -3.594
227 H GLN 27 H GLN 27 6.711 -0.727 -6.479
228 HA GLN 27 HA GLN 27 7.779 -2.727 -8.173
229 HB2 GLN 27 1HB GLN 27 6.227 -4.573 -7.434
230 HB3 GLN 27 2HB GLN 27 7.545 -4.227 -6.322
231 HG2 GLN 27 1HG GLN 27 5.987 -2.888 -4.946
232 HG3 GLN 27 2HG GLN 27 4.676 -3.348 -6.031
233 HE21 GLN 27 1HE2 GLN 27 6.307 -6.559 -4.149
234 HE22 GLN 27 2HE2 GLN 27 7.292 -5.472 -5.057
235 H ALA 28 H ALA 28 6.912 -1.875 -9.949
236 HA ALA 28 HA ALA 28 4.058 -1.156 -9.972
237 HB1 ALA 28 1HB ALA 28 5.590 0.637 -10.627
238 HB2 ALA 28 2HB ALA 28 4.579 0.145 -11.986
239 HB3 ALA 28 3HB ALA 28 6.259 -0.386 -11.899
Start of MODEL 20
1 H1 ALA 1 1H ALA 1 13.648 7.058 2.489
2 H2 ALA 1 2H ALA 1 13.509 6.522 4.088
3 H3 ALA 1 3H ALA 1 12.131 6.977 3.228
4 HA ALA 1 HA ALA 1 12.337 5.150 1.747
5 HB1 ALA 1 1HB ALA 1 14.121 3.499 2.001
6 HB2 ALA 1 2HB ALA 1 14.835 4.460 3.297
7 HB3 ALA 1 3HB ALA 1 14.780 5.096 1.653
8 H GLU 2 H GLU 2 10.589 4.109 2.432
9 HA GLU 2 HA GLU 2 10.658 2.833 5.089
10 HB2 GLU 2 1HB GLU 2 8.120 2.942 4.955
11 HB3 GLU 2 2HB GLU 2 8.954 4.462 5.221
12 HG2 GLU 2 1HG GLU 2 8.047 3.579 2.494
13 HG3 GLU 2 2HG GLU 2 7.006 4.473 3.598
14 H ASP 3 H ASP 3 9.894 0.729 5.262
15 HA ASP 3 HA ASP 3 10.725 -0.951 3.196
16 HB2 ASP 3 1HB ASP 3 8.965 -1.624 5.568
17 HB3 ASP 3 2HB ASP 3 9.828 -2.795 4.575
18 H CYS 4 H CYS 4 9.797 -1.542 1.384
19 HA CYS 4 HA CYS 4 7.222 -0.725 0.612
20 HB2 CYS 4 2HB CYS 4 9.127 -2.728 -0.617
21 HB3 CYS 4 1HB CYS 4 7.646 -2.176 -1.397
22 H GLU 5 H GLU 5 8.446 -3.847 1.771
23 HA GLU 5 HA GLU 5 6.118 -5.350 1.317
24 HB2 GLU 5 1HB GLU 5 8.201 -6.453 1.906
25 HB3 GLU 5 2HB GLU 5 8.230 -5.652 3.471
26 HG2 GLU 5 1HG GLU 5 7.540 -7.909 3.805
27 HG3 GLU 5 2HG GLU 5 6.143 -6.871 4.075
28 H ARG 6 H ARG 6 7.085 -3.316 4.032
29 HA ARG 6 HA ARG 6 4.880 -3.952 5.691
30 HB2 ARG 6 1HB ARG 6 6.625 -1.474 5.653
31 HB3 ARG 6 2HB ARG 6 5.508 -1.904 6.943
32 HG2 ARG 6 1HG ARG 6 7.898 -3.544 6.093
33 HG3 ARG 6 2HG ARG 6 7.841 -2.465 7.487
34 HD2 ARG 6 1HD ARG 6 6.026 -4.848 7.091
35 HD3 ARG 6 2HD ARG 6 7.504 -4.867 8.053
36 HE ARG 6 HE ARG 6 6.275 -2.910 9.264
37 HH11 ARG 6 1HH1 ARG 6 4.892 -5.923 8.133
38 HH12 ARG 6 2HH1 ARG 6 3.626 -5.926 9.323
39 HH21 ARG 6 1HH2 ARG 6 4.612 -2.933 10.830
40 HH22 ARG 6 2HH2 ARG 6 3.465 -4.236 10.841
41 H ILE 7 H ILE 7 5.499 -1.311 3.393
42 HA ILE 7 HA ILE 7 3.040 0.033 3.639
43 HB ILE 7 HB ILE 7 4.770 -0.297 1.167
44 HG12 ILE 7 1HG1 ILE 7 4.732 1.886 3.265
45 HG13 ILE 7 2HG1 ILE 7 6.000 0.682 3.048
46 HG21 ILE 7 1HG2 ILE 7 3.705 1.791 0.377
47 HG22 ILE 7 2HG2 ILE 7 2.617 1.733 1.764
48 HG23 ILE 7 3HG2 ILE 7 2.554 0.464 0.542
49 HD11 ILE 7 1HD1 ILE 7 6.686 2.777 2.099
50 HD12 ILE 7 2HD1 ILE 7 5.232 2.848 1.108
51 HD13 ILE 7 3HD1 ILE 7 6.444 1.602 0.811
52 H ARG 8 H ARG 8 4.011 -2.696 1.621
53 HA ARG 8 HA ARG 8 1.647 -2.967 0.123
54 HB2 ARG 8 1HB ARG 8 3.917 -4.047 -0.290
55 HB3 ARG 8 2HB ARG 8 3.501 -5.214 0.949
56 HG2 ARG 8 1HG ARG 8 1.692 -4.794 -1.409
57 HG3 ARG 8 2HG ARG 8 3.124 -5.813 -1.547
58 HD2 ARG 8 1HD ARG 8 0.859 -6.184 0.421
59 HD3 ARG 8 2HD ARG 8 1.136 -7.141 -1.036
60 HE ARG 8 HE ARG 8 3.384 -7.122 0.763
61 HH11 ARG 8 1HH1 ARG 8 0.331 -8.689 0.055
62 HH12 ARG 8 2HH1 ARG 8 0.781 -10.175 0.826
63 HH21 ARG 8 1HH2 ARG 8 3.963 -9.058 1.773
64 HH22 ARG 8 2HH2 ARG 8 2.838 -10.385 1.817
65 H LYS 9 H LYS 9 2.708 -4.316 3.190
66 HA LYS 9 HA LYS 9 0.466 -5.945 3.682
67 HB2 LYS 9 1HB LYS 9 2.518 -4.686 5.497
68 HB3 LYS 9 2HB LYS 9 1.195 -5.650 6.142
69 HG2 LYS 9 1HG LYS 9 3.240 -6.619 4.146
70 HG3 LYS 9 2HG LYS 9 3.266 -6.941 5.881
71 HD2 LYS 9 1HD LYS 9 0.990 -7.745 4.060
72 HD3 LYS 9 2HD LYS 9 2.343 -8.802 4.461
73 HE2 LYS 9 1HE LYS 9 0.502 -9.354 5.900
74 HE3 LYS 9 2HE LYS 9 1.743 -8.568 6.869
75 HZ1 LYS 9 1HZ LYS 9 -0.539 -7.818 7.361
76 HZ2 LYS 9 2HZ LYS 9 -0.660 -7.186 5.803
77 HZ3 LYS 9 3HZ LYS 9 0.471 -6.555 6.887
78 H GLU 10 H GLU 10 1.114 -2.566 4.473
79 HA GLU 10 HA GLU 10 -1.318 -2.134 5.883
80 HB2 GLU 10 1HB GLU 10 0.433 -0.145 4.410
81 HB3 GLU 10 2HB GLU 10 -0.817 0.265 5.569
82 HG2 GLU 10 1HG GLU 10 1.754 -1.201 6.110
83 HG3 GLU 10 2HG GLU 10 1.318 0.422 6.641
84 H LEU 11 H LEU 11 -0.358 -2.001 2.533
85 HA LEU 11 HA LEU 11 -2.742 -0.756 1.534
86 HB2 LEU 11 1HB LEU 11 -0.345 -0.903 0.500
87 HB3 LEU 11 2HB LEU 11 -0.856 -2.470 -0.087
88 HG LEU 11 HG LEU 11 -1.008 -0.616 -1.764
89 HD11 LEU 11 1HD1 LEU 11 -3.164 -1.234 -2.669
90 HD12 LEU 11 2HD1 LEU 11 -3.658 -1.902 -1.115
91 HD13 LEU 11 3HD1 LEU 11 -2.346 -2.654 -2.020
92 HD21 LEU 11 1HD2 LEU 11 -2.857 0.984 -1.585
93 HD22 LEU 11 2HD2 LEU 11 -1.686 1.183 -0.285
94 HD23 LEU 11 3HD2 LEU 11 -3.222 0.378 0.030
95 H GLU 12 H GLU 12 -1.709 -3.956 2.310
96 HA GLU 12 HA GLU 12 -3.510 -5.516 0.854
97 HB2 GLU 12 1HB GLU 12 -1.478 -6.317 2.066
98 HB3 GLU 12 2HB GLU 12 -2.299 -6.009 3.589
99 HG2 GLU 12 1HG GLU 12 -2.496 -8.296 3.250
100 HG3 GLU 12 2HG GLU 12 -4.064 -7.636 2.797
101 H LYS 13 H LYS 13 -3.685 -4.046 4.072
102 HA LYS 13 HA LYS 13 -6.308 -5.096 4.610
103 HB2 LYS 13 1HB LYS 13 -4.793 -4.786 6.471
104 HB3 LYS 13 2HB LYS 13 -4.594 -3.083 6.086
105 HG2 LYS 13 1HG LYS 13 -6.056 -3.391 8.015
106 HG3 LYS 13 2HG LYS 13 -6.926 -2.656 6.669
107 HD2 LYS 13 1HD LYS 13 -8.334 -4.329 7.681
108 HD3 LYS 13 2HD LYS 13 -7.832 -4.902 6.090
109 HE2 LYS 13 1HE LYS 13 -7.711 -6.714 7.689
110 HE3 LYS 13 2HE LYS 13 -6.084 -6.279 7.167
111 HZ1 LYS 13 1HZ LYS 13 -6.289 -6.656 9.582
112 HZ2 LYS 13 2HZ LYS 13 -7.343 -5.337 9.688
113 HZ3 LYS 13 3HZ LYS 13 -5.737 -5.101 9.208
114 H ASN 14 H ASN 14 -5.002 -1.801 4.100
115 HA ASN 14 HA ASN 14 -7.718 -0.975 3.282
116 HB2 ASN 14 1HB ASN 14 -7.097 -0.153 5.574
117 HB3 ASN 14 2HB ASN 14 -5.765 0.735 4.843
118 HD21 ASN 14 1HD2 ASN 14 -7.763 3.309 3.576
119 HD22 ASN 14 2HD2 ASN 14 -6.222 2.527 3.539
120 HA PRO 15 HA PRO 15 -5.060 0.069 -0.227
121 HB2 PRO 15 2HB PRO 15 -6.966 -0.004 -2.122
122 HB3 PRO 15 1HB PRO 15 -6.311 -1.482 -1.404
123 HG2 PRO 15 2HG PRO 15 -8.874 -0.050 -0.788
124 HG3 PRO 15 1HG PRO 15 -8.582 -1.791 -0.971
125 HD2 PRO 15 2HD PRO 15 -8.740 -0.514 1.456
126 HD3 PRO 15 1HD PRO 15 -7.830 -2.012 1.186
127 H ASN 16 H ASN 16 -4.432 2.153 -0.138
128 HA ASN 16 HA ASN 16 -6.398 4.224 -0.910
129 HB2 ASN 16 1HB ASN 16 -3.804 4.603 0.627
130 HB3 ASN 16 2HB ASN 16 -4.920 5.882 0.163
131 HD21 ASN 16 1HD2 ASN 16 -7.202 5.271 2.742
132 HD22 ASN 16 2HD2 ASN 16 -6.937 6.015 1.204
133 H ASP 17 H ASP 17 -5.876 5.524 -2.650
134 HA ASP 17 HA ASP 17 -4.172 4.445 -4.607
135 HB2 ASP 17 1HB ASP 17 -4.708 6.341 -5.955
136 HB3 ASP 17 2HB ASP 17 -6.149 5.969 -5.020
137 H GLU 18 H GLU 18 -3.710 7.107 -2.327
138 HA GLU 18 HA GLU 18 -1.235 8.037 -3.189
139 HB2 GLU 18 1HB GLU 18 -2.298 7.822 -0.362
140 HB3 GLU 18 2HB GLU 18 -0.891 8.770 -0.832
141 HG2 GLU 18 1HG GLU 18 -2.313 10.150 -2.280
142 HG3 GLU 18 2HG GLU 18 -3.720 9.210 -1.779
143 H ILE 19 H ILE 19 -1.862 5.634 -0.639
144 HA ILE 19 HA ILE 19 0.812 4.930 -0.170
145 HB ILE 19 HB ILE 19 -1.683 3.247 0.224
146 HG12 ILE 19 1HG1 ILE 19 -1.800 5.415 1.392
147 HG13 ILE 19 2HG1 ILE 19 -1.658 4.085 2.536
148 HG21 ILE 19 1HG2 ILE 19 1.062 2.974 1.454
149 HG22 ILE 19 2HG2 ILE 19 0.307 1.865 0.307
150 HG23 ILE 19 3HG2 ILE 19 -0.365 2.049 1.927
151 HD11 ILE 19 1HD1 ILE 19 -0.294 5.997 3.180
152 HD12 ILE 19 2HD1 ILE 19 0.590 5.890 1.655
153 HD13 ILE 19 3HD1 ILE 19 0.704 4.584 2.835
154 H LYS 20 H LYS 20 -1.626 3.592 -2.316
155 HA LYS 20 HA LYS 20 -0.278 1.339 -3.266
156 HB2 LYS 20 1HB LYS 20 -2.671 1.745 -3.584
157 HB3 LYS 20 2HB LYS 20 -2.321 3.119 -4.619
158 HG2 LYS 20 1HG LYS 20 -1.307 1.601 -6.270
159 HG3 LYS 20 2HG LYS 20 -1.701 0.229 -5.225
160 HD2 LYS 20 1HD LYS 20 -4.082 0.760 -5.401
161 HD3 LYS 20 2HD LYS 20 -3.708 2.167 -6.396
162 HE2 LYS 20 1HE LYS 20 -2.748 0.677 -8.107
163 HE3 LYS 20 2HE LYS 20 -3.184 -0.718 -7.116
164 HZ1 LYS 20 1HZ LYS 20 -5.129 1.264 -8.168
165 HZ2 LYS 20 2HZ LYS 20 -5.489 -0.172 -7.350
166 HZ3 LYS 20 3HZ LYS 20 -4.798 -0.225 -8.890
167 H LYS 21 H LYS 21 -0.215 4.697 -4.329
168 HA LYS 21 HA LYS 21 1.457 4.147 -6.619
169 HB2 LYS 21 1HB LYS 21 -0.228 5.966 -6.621
170 HB3 LYS 21 2HB LYS 21 0.684 6.791 -5.363
171 HG2 LYS 21 1HG LYS 21 2.597 6.993 -6.903
172 HG3 LYS 21 2HG LYS 21 1.649 6.203 -8.163
173 HD2 LYS 21 1HD LYS 21 -0.004 8.033 -8.048
174 HD3 LYS 21 2HD LYS 21 0.977 8.827 -6.812
175 HE2 LYS 21 1HE LYS 21 2.828 9.019 -8.413
176 HE3 LYS 21 2HE LYS 21 1.844 8.229 -9.646
177 HZ1 LYS 21 1HZ LYS 21 0.255 10.074 -9.448
178 HZ2 LYS 21 2HZ LYS 21 1.785 10.589 -9.955
179 HZ3 LYS 21 3HZ LYS 21 1.295 10.845 -8.357
180 H LYS 22 H LYS 22 1.867 5.401 -3.350
181 HA LYS 22 HA LYS 22 4.556 6.260 -3.709
182 HB2 LYS 22 1HB LYS 22 2.903 5.714 -1.242
183 HB3 LYS 22 2HB LYS 22 4.565 6.293 -1.161
184 HG2 LYS 22 1HG LYS 22 3.905 8.268 -2.501
185 HG3 LYS 22 2HG LYS 22 2.239 7.692 -2.483
186 HD2 LYS 22 1HD LYS 22 2.180 7.896 -0.049
187 HD3 LYS 22 2HD LYS 22 3.866 8.422 -0.041
188 HE2 LYS 22 1HE LYS 22 3.225 10.378 -1.420
189 HE3 LYS 22 2HE LYS 22 1.542 9.861 -1.332
190 HZ1 LYS 22 1HZ LYS 22 2.051 11.585 0.286
191 HZ2 LYS 22 2HZ LYS 22 3.232 10.601 0.994
192 HZ3 LYS 22 3HZ LYS 22 1.605 10.146 1.057
193 H LEU 23 H LEU 23 3.061 3.236 -2.986
194 HA LEU 23 HA LEU 23 5.197 1.775 -1.941
195 HB2 LEU 23 1HB LEU 23 2.670 1.168 -2.508
196 HB3 LEU 23 2HB LEU 23 3.373 0.551 -3.987
197 HG LEU 23 HG LEU 23 4.117 -0.369 -1.200
198 HD11 LEU 23 1HD1 LEU 23 2.380 -1.683 -3.288
199 HD12 LEU 23 2HD1 LEU 23 1.842 -1.004 -1.751
200 HD13 LEU 23 3HD1 LEU 23 2.896 -2.417 -1.769
201 HD21 LEU 23 1HD2 LEU 23 5.963 -0.657 -2.749
202 HD22 LEU 23 2HD2 LEU 23 4.900 -1.454 -3.908
203 HD23 LEU 23 3HD2 LEU 23 5.251 -2.221 -2.360
204 H GLU 24 H GLU 24 4.570 2.948 -5.162
205 HA GLU 24 HA GLU 24 6.321 1.292 -6.613
206 HB2 GLU 24 1HB GLU 24 5.422 4.125 -7.180
207 HB3 GLU 24 2HB GLU 24 6.250 3.091 -8.334
208 HG2 GLU 24 1HG GLU 24 3.551 2.544 -7.106
209 HG3 GLU 24 2HG GLU 24 3.843 3.169 -8.729
210 H LYS 25 H LYS 25 6.903 4.162 -4.670
211 HA LYS 25 HA LYS 25 9.705 4.163 -5.607
212 HB2 LYS 25 1HB LYS 25 8.261 6.132 -6.338
213 HB3 LYS 25 2HB LYS 25 8.243 6.624 -4.647
214 HG2 LYS 25 1HG LYS 25 10.580 6.981 -4.621
215 HG3 LYS 25 2HG LYS 25 10.798 6.144 -6.156
216 HD2 LYS 25 1HD LYS 25 9.403 7.979 -7.208
217 HD3 LYS 25 2HD LYS 25 9.557 8.846 -5.675
218 HE2 LYS 25 1HE LYS 25 11.253 9.532 -7.342
219 HE3 LYS 25 2HE LYS 25 11.966 8.862 -5.875
220 HZ1 LYS 25 1HZ LYS 25 12.315 6.777 -7.010
221 HZ2 LYS 25 2HZ LYS 25 13.023 8.024 -7.902
222 HZ3 LYS 25 3HZ LYS 25 11.555 7.357 -8.408
223 H CYS 26 H CYS 26 8.320 2.897 -3.206
224 HA CYS 26 HA CYS 26 9.804 4.103 -1.019
225 HB2 CYS 26 2HB CYS 26 9.047 2.033 0.221
226 HB3 CYS 26 1HB CYS 26 7.745 3.032 -0.414
227 H GLN 27 H GLN 27 10.282 1.838 -3.513
228 HA GLN 27 HA GLN 27 12.468 0.421 -2.264
229 HB2 GLN 27 1HB GLN 27 12.612 -0.762 -4.432
230 HB3 GLN 27 2HB GLN 27 10.986 -0.789 -3.760
231 HG2 GLN 27 1HG GLN 27 10.402 1.114 -5.269
232 HG3 GLN 27 2HG GLN 27 11.991 0.947 -6.013
233 HE21 GLN 27 1HE2 GLN 27 9.273 -0.935 -7.852
234 HE22 GLN 27 2HE2 GLN 27 9.334 0.658 -7.179
235 H ALA 28 H ALA 28 12.040 3.080 -4.498
236 HA ALA 28 HA ALA 28 14.758 3.893 -4.258
237 HB1 ALA 28 1HB ALA 28 15.091 2.089 -5.886
238 HB2 ALA 28 2HB ALA 28 15.421 3.665 -6.606
239 HB3 ALA 28 3HB ALA 28 13.907 2.832 -6.963