Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
608461 | 2nd2 RC | 26045 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 H1 ALA 1 -5.314 5.589 13.746
2 H2 ALA 1 H2 ALA 1 -5.222 7.267 13.571
3 H3 ALA 1 H3 ALA 1 -4.062 6.277 12.848
4 HA ALA 1 HA ALA 1 -6.939 6.336 12.152
5 HB1 ALA 1 HB1 ALA 1 -6.227 7.437 10.065
6 HB2 ALA 1 HB2 ALA 1 -4.552 7.418 10.616
7 HB3 ALA 1 HB3 ALA 1 -5.747 8.388 11.472
8 HA PRO 2 HA PRO 2 -6.672 2.152 11.041
9 HB2 PRO 2 HB2 PRO 2 -7.931 2.840 8.375
10 HB3 PRO 2 HB3 PRO 2 -8.428 1.626 9.579
11 HG2 PRO 2 HG2 PRO 2 -9.756 3.906 9.387
12 HG3 PRO 2 HG3 PRO 2 -9.396 3.225 10.993
13 HD2 PRO 2 HD2 PRO 2 -8.084 5.526 9.573
14 HD3 PRO 2 HD3 PRO 2 -8.452 5.320 11.300
15 H CYS 3 H CYS 3 -6.191 3.722 7.856
16 HA CYS 3 HA CYS 3 -3.512 2.592 7.585
17 HB2 CYS 3 HB2 CYS 3 -5.112 0.840 6.742
18 HB3 CYS 3 HB3 CYS 3 -5.715 2.000 5.561
19 H GLU 4 H GLU 4 -4.717 5.292 7.836
20 HA GLU 4 HA GLU 4 -5.060 6.505 5.295
21 HB2 GLU 4 HB2 GLU 4 -4.538 7.752 8.032
22 HB3 GLU 4 HB3 GLU 4 -4.917 8.682 6.583
23 HG2 GLU 4 HG2 GLU 4 -6.704 6.641 7.930
24 HG3 GLU 4 HG3 GLU 4 -6.924 8.390 7.913
25 H ASP 5 H ASP 5 -2.295 6.565 7.556
26 HA ASP 5 HA ASP 5 -0.591 8.242 6.084
27 HB2 ASP 5 HB2 ASP 5 -0.165 7.661 8.431
28 HB3 ASP 5 HB3 ASP 5 0.089 5.974 8.005
29 H LEU 6 H LEU 6 -0.958 4.706 6.059
30 HA LEU 6 HA LEU 6 1.170 4.072 4.290
31 HB2 LEU 6 HB2 LEU 6 0.038 2.547 5.926
32 HB3 LEU 6 HB3 LEU 6 -1.384 2.523 4.910
33 HG LEU 6 HG LEU 6 1.282 1.487 3.839
34 HD11 LEU 6 HD11 LEU 6 0.657 -0.770 4.602
35 HD12 LEU 6 HD12 LEU 6 -0.729 -0.103 5.469
36 HD13 LEU 6 HD13 LEU 6 0.911 0.327 5.957
37 HD21 LEU 6 HD21 LEU 6 -0.515 1.750 2.174
38 HD22 LEU 6 HD22 LEU 6 -1.594 0.756 3.152
39 HD23 LEU 6 HD23 LEU 6 -0.147 0.045 2.429
40 H LYS 7 H LYS 7 -2.333 4.376 3.766
41 HA LYS 7 HA LYS 7 -2.301 3.643 1.013
42 HB2 LYS 7 HB2 LYS 7 -4.193 3.041 2.296
43 HB3 LYS 7 HB3 LYS 7 -4.407 4.653 2.933
44 HG2 LYS 7 HG2 LYS 7 -4.783 4.290 -0.023
45 HG3 LYS 7 HG3 LYS 7 -6.004 3.593 1.037
46 HD2 LYS 7 HD2 LYS 7 -5.162 6.516 0.949
47 HD3 LYS 7 HD3 LYS 7 -6.674 5.841 0.337
48 HE2 LYS 7 HE2 LYS 7 -7.350 5.208 2.620
49 HE3 LYS 7 HE3 LYS 7 -5.812 5.799 3.257
50 HZ1 LYS 7 HZ1 LYS 7 -7.547 7.433 3.595
51 HZ2 LYS 7 HZ2 LYS 7 -7.910 7.453 1.944
52 HZ3 LYS 7 HZ3 LYS 7 -6.420 8.033 2.492
53 H GLU 8 H GLU 8 -2.294 6.741 2.703
54 HA GLU 8 HA GLU 8 -2.615 8.347 0.351
55 HB2 GLU 8 HB2 GLU 8 -1.532 9.029 3.106
56 HB3 GLU 8 HB3 GLU 8 -1.686 10.213 1.814
57 HG2 GLU 8 HG2 GLU 8 -3.937 8.668 3.110
58 HG3 GLU 8 HG3 GLU 8 -3.562 10.374 3.349
59 H ARG 9 H ARG 9 0.149 6.811 1.910
60 HA ARG 9 HA ARG 9 2.149 8.162 0.345
61 HB2 ARG 9 HB2 ARG 9 2.274 5.601 1.988
62 HB3 ARG 9 HB3 ARG 9 3.661 6.245 1.106
63 HG2 ARG 9 HG2 ARG 9 3.577 8.312 2.437
64 HG3 ARG 9 HG3 ARG 9 2.154 7.714 3.290
65 HD2 ARG 9 HD2 ARG 9 3.578 5.768 4.097
66 HD3 ARG 9 HD3 ARG 9 4.980 6.610 3.420
67 HE ARG 9 HE ARG 9 3.278 7.541 5.638
68 HH11 ARG 9 HH11 ARG 9 6.296 7.831 3.875
69 HH12 ARG 9 HH12 ARG 9 7.015 8.883 5.048
70 HH21 ARG 9 HH21 ARG 9 4.181 8.893 7.156
71 HH22 ARG 9 HH22 ARG 9 5.796 9.494 6.939
72 H LEU 10 H LEU 10 0.179 5.256 -0.127
73 HA LEU 10 HA LEU 10 1.486 4.200 -2.412
74 HB2 LEU 10 HB2 LEU 10 -1.538 4.238 -2.038
75 HB3 LEU 10 HB3 LEU 10 -0.596 3.083 -2.968
76 HG LEU 10 HG LEU 10 -0.714 3.327 0.055
77 HD11 LEU 10 HD11 LEU 10 -1.723 1.107 -0.002
78 HD12 LEU 10 HD12 LEU 10 -1.648 1.099 -1.764
79 HD13 LEU 10 HD13 LEU 10 -2.678 2.265 -0.929
80 HD21 LEU 10 HD21 LEU 10 1.572 2.747 -0.523
81 HD22 LEU 10 HD22 LEU 10 1.013 1.437 -1.564
82 HD23 LEU 10 HD23 LEU 10 0.755 1.352 0.180
83 H LYS 11 H LYS 11 -0.797 6.802 -1.959
84 HA LYS 11 HA LYS 11 -1.183 7.496 -4.723
85 HB2 LYS 11 HB2 LYS 11 -1.810 8.983 -2.135
86 HB3 LYS 11 HB3 LYS 11 -2.363 9.483 -3.733
87 HG2 LYS 11 HG2 LYS 11 -3.781 7.553 -3.955
88 HG3 LYS 11 HG3 LYS 11 -3.058 6.776 -2.542
89 HD2 LYS 11 HD2 LYS 11 -5.310 7.714 -2.044
90 HD3 LYS 11 HD3 LYS 11 -4.047 8.447 -1.055
91 HE2 LYS 11 HE2 LYS 11 -4.029 10.416 -2.572
92 HE3 LYS 11 HE3 LYS 11 -5.322 9.677 -3.520
93 HZ1 LYS 11 HZ1 LYS 11 -6.191 11.293 -1.952
94 HZ2 LYS 11 HZ2 LYS 11 -5.516 10.453 -0.652
95 HZ3 LYS 11 HZ3 LYS 11 -6.747 9.748 -1.568
96 H LYS 12 H LYS 12 0.815 8.736 -2.056
97 HA LYS 12 HA LYS 12 1.678 11.133 -3.363
98 HB2 LYS 12 HB2 LYS 12 1.463 10.663 -0.830
99 HB3 LYS 12 HB3 LYS 12 2.978 9.790 -0.933
100 HG2 LYS 12 HG2 LYS 12 2.732 12.713 -1.731
101 HG3 LYS 12 HG3 LYS 12 3.041 12.214 -0.070
102 HD2 LYS 12 HD2 LYS 12 5.131 11.105 -0.788
103 HD3 LYS 12 HD3 LYS 12 4.811 11.583 -2.458
104 HE2 LYS 12 HE2 LYS 12 4.971 13.961 -1.812
105 HE3 LYS 12 HE3 LYS 12 5.276 13.488 -0.137
106 HZ1 LYS 12 HZ1 LYS 12 7.352 13.983 -1.224
107 HZ2 LYS 12 HZ2 LYS 12 7.020 12.901 -2.479
108 HZ3 LYS 12 HZ3 LYS 12 7.290 12.322 -0.917
109 H LEU 13 H LEU 13 3.126 7.940 -2.810
110 HA LEU 13 HA LEU 13 5.648 8.517 -4.074
111 HB2 LEU 13 HB2 LEU 13 4.354 5.867 -3.302
112 HB3 LEU 13 HB3 LEU 13 6.002 6.024 -3.897
113 HG LEU 13 HG LEU 13 4.963 7.287 -1.327
114 HD11 LEU 13 HD11 LEU 13 5.013 4.849 -1.123
115 HD12 LEU 13 HD12 LEU 13 6.251 5.596 -0.119
116 HD13 LEU 13 HD13 LEU 13 6.703 4.818 -1.640
117 HD21 LEU 13 HD21 LEU 13 6.788 8.582 -2.288
118 HD22 LEU 13 HD22 LEU 13 7.792 7.135 -2.412
119 HD23 LEU 13 HD23 LEU 13 7.322 7.755 -0.827
120 H GLY 14 H GLY 14 2.525 7.573 -5.199
121 HA2 GLY 14 HA2 GLY 14 1.657 7.527 -7.301
122 HA3 GLY 14 HA3 GLY 14 3.154 8.247 -7.857
123 H MET 15 H MET 15 2.262 5.080 -6.472
124 HA MET 15 HA MET 15 3.829 3.581 -8.362
125 HB2 MET 15 HB2 MET 15 2.921 1.626 -7.082
126 HB3 MET 15 HB3 MET 15 3.686 2.822 -6.049
127 HG2 MET 15 HG2 MET 15 1.389 3.716 -5.525
128 HG3 MET 15 HG3 MET 15 0.727 2.360 -6.415
129 HE1 MET 15 HE1 MET 15 3.385 1.519 -2.692
130 HE2 MET 15 HE2 MET 15 3.282 3.141 -3.381
131 HE3 MET 15 HE3 MET 15 4.047 1.837 -4.295
132 H SER 16 H SER 16 2.376 1.451 -9.137
133 HA SER 16 HA SER 16 0.589 2.345 -11.131
134 HB2 SER 16 HB2 SER 16 0.844 -0.437 -9.928
135 HB3 SER 16 HB3 SER 16 0.066 -0.049 -11.464
136 HG SER 16 HG SER 16 2.177 0.848 -12.073
137 H GLU 17 H GLU 17 -1.694 2.041 -11.304
138 HA GLU 17 HA GLU 17 -3.325 2.750 -9.110
139 HB2 GLU 17 HB2 GLU 17 -4.124 1.377 -11.715
140 HB3 GLU 17 HB3 GLU 17 -5.199 2.288 -10.660
141 HG2 GLU 17 HG2 GLU 17 -2.776 3.522 -11.927
142 HG3 GLU 17 HG3 GLU 17 -4.317 3.446 -12.776
143 H GLU 18 H GLU 18 -2.827 -0.338 -10.803
144 HA GLU 18 HA GLU 18 -4.321 -2.058 -9.183
145 HB2 GLU 18 HB2 GLU 18 -3.491 -2.776 -11.356
146 HB3 GLU 18 HB3 GLU 18 -1.816 -2.573 -10.856
147 HG2 GLU 18 HG2 GLU 18 -2.103 -4.437 -9.225
148 HG3 GLU 18 HG3 GLU 18 -3.761 -4.651 -9.776
149 H CYS 19 H CYS 19 -1.028 -0.742 -8.754
150 HA CYS 19 HA CYS 19 -0.135 -2.532 -6.755
151 HB2 CYS 19 HB2 CYS 19 1.396 -0.880 -7.960
152 HB3 CYS 19 HB3 CYS 19 0.654 0.395 -7.030
153 H ARG 20 H ARG 20 -1.661 0.705 -6.569
154 HA ARG 20 HA ARG 20 -1.798 0.966 -3.762
155 HB2 ARG 20 HB2 ARG 20 -4.010 1.983 -5.620
156 HB3 ARG 20 HB3 ARG 20 -3.441 2.689 -4.117
157 HG2 ARG 20 HG2 ARG 20 -1.356 3.400 -5.248
158 HG3 ARG 20 HG3 ARG 20 -1.953 2.699 -6.767
159 HD2 ARG 20 HD2 ARG 20 -3.315 4.892 -5.182
160 HD3 ARG 20 HD3 ARG 20 -2.376 5.128 -6.661
161 HE ARG 20 HE ARG 20 -4.565 3.267 -6.924
162 HH11 ARG 20 HH11 ARG 20 -3.721 6.691 -7.147
163 HH12 ARG 20 HH12 ARG 20 -5.072 7.077 -8.170
164 HH21 ARG 20 HH21 ARG 20 -6.339 3.783 -8.211
165 HH22 ARG 20 HH22 ARG 20 -6.557 5.413 -8.771
166 H GLN 21 H GLN 21 -4.184 -0.260 -6.110
167 HA GLN 21 HA GLN 21 -6.309 -0.782 -4.382
168 HB2 GLN 21 HB2 GLN 21 -5.597 -1.926 -7.111
169 HB3 GLN 21 HB3 GLN 21 -7.083 -2.380 -6.281
170 HG2 GLN 21 HG2 GLN 21 -7.864 -0.079 -6.308
171 HG3 GLN 21 HG3 GLN 21 -6.334 0.467 -6.996
172 HE21 GLN 21 HE21 GLN 21 -5.962 0.165 -9.216
173 HE22 GLN 21 HE22 GLN 21 -7.190 -0.339 -10.310
174 H ARG 22 H ARG 22 -3.519 -2.761 -5.203
175 HA ARG 22 HA ARG 22 -4.336 -5.208 -3.965
176 HB2 ARG 22 HB2 ARG 22 -1.641 -4.021 -4.760
177 HB3 ARG 22 HB3 ARG 22 -1.714 -5.542 -3.895
178 HG2 ARG 22 HG2 ARG 22 -2.916 -6.610 -5.715
179 HG3 ARG 22 HG3 ARG 22 -3.061 -5.073 -6.576
180 HD2 ARG 22 HD2 ARG 22 -0.642 -4.962 -6.882
181 HD3 ARG 22 HD3 ARG 22 -0.412 -6.412 -5.902
182 HE ARG 22 HE ARG 22 -2.045 -7.201 -7.975
183 HH11 ARG 22 HH11 ARG 22 1.188 -5.762 -7.743
184 HH12 ARG 22 HH12 ARG 22 1.758 -6.518 -9.200
185 HH21 ARG 22 HH21 ARG 22 -1.253 -8.217 -9.859
186 HH22 ARG 22 HH22 ARG 22 0.370 -7.909 -10.394
187 H LEU 23 H LEU 23 -2.479 -2.399 -2.894
188 HA LEU 23 HA LEU 23 -1.422 -3.665 -0.539
189 HB2 LEU 23 HB2 LEU 23 -1.283 -0.867 -1.693
190 HB3 LEU 23 HB3 LEU 23 -0.364 -1.359 -0.298
191 HG LEU 23 HG LEU 23 -0.127 -2.612 -3.054
192 HD11 LEU 23 HD11 LEU 23 2.069 -1.505 -3.169
193 HD12 LEU 23 HD12 LEU 23 1.700 -0.652 -1.667
194 HD13 LEU 23 HD13 LEU 23 0.723 -0.369 -3.108
195 HD21 LEU 23 HD21 LEU 23 0.394 -4.227 -1.310
196 HD22 LEU 23 HD22 LEU 23 1.544 -3.104 -0.578
197 HD23 LEU 23 HD23 LEU 23 1.849 -3.760 -2.187
198 H GLU 24 H GLU 24 -3.684 -0.949 -1.094
199 HA GLU 24 HA GLU 24 -4.198 -0.434 1.647
200 HB2 GLU 24 HB2 GLU 24 -6.074 0.972 0.861
201 HB3 GLU 24 HB3 GLU 24 -4.594 1.281 -0.026
202 HG2 GLU 24 HG2 GLU 24 -6.028 1.284 -1.798
203 HG3 GLU 24 HG3 GLU 24 -5.674 -0.434 -1.763
204 H LYS 25 H LYS 25 -5.597 -2.656 -0.672
205 HA LYS 25 HA LYS 25 -7.887 -3.507 0.748
206 HB2 LYS 25 HB2 LYS 25 -7.404 -3.862 -1.682
207 HB3 LYS 25 HB3 LYS 25 -6.147 -5.010 -1.274
208 HG2 LYS 25 HG2 LYS 25 -9.013 -5.487 -0.436
209 HG3 LYS 25 HG3 LYS 25 -8.472 -5.866 -2.070
210 HD2 LYS 25 HD2 LYS 25 -6.747 -7.393 -1.121
211 HD3 LYS 25 HD3 LYS 25 -7.352 -7.038 0.501
212 HE2 LYS 25 HE2 LYS 25 -9.555 -7.969 -0.128
213 HE3 LYS 25 HE3 LYS 25 -8.932 -8.337 -1.740
214 HZ1 LYS 25 HZ1 LYS 25 -8.877 -10.288 -0.321
215 HZ2 LYS 25 HZ2 LYS 25 -7.925 -9.483 0.816
216 HZ3 LYS 25 HZ3 LYS 25 -7.297 -9.821 -0.714
217 H MET 26 H MET 26 -4.570 -4.800 0.571
218 HA MET 26 HA MET 26 -4.895 -6.894 2.477
219 HB2 MET 26 HB2 MET 26 -2.354 -5.501 1.520
220 HB3 MET 26 HB3 MET 26 -2.384 -6.951 2.512
221 HG2 MET 26 HG2 MET 26 -3.828 -7.917 0.522
222 HG3 MET 26 HG3 MET 26 -3.040 -6.632 -0.387
223 HE1 MET 26 HE1 MET 26 -2.589 -9.884 1.716
224 HE2 MET 26 HE2 MET 26 -1.588 -8.766 2.647
225 HE3 MET 26 HE3 MET 26 -0.838 -10.083 1.748
226 H CYS 27 H CYS 27 -4.125 -3.507 2.747
227 HA CYS 27 HA CYS 27 -3.006 -3.553 5.383
228 HB2 CYS 27 HB2 CYS 27 -2.568 -1.779 3.711
229 HB3 CYS 27 HB3 CYS 27 -4.246 -1.254 3.818
230 H LYS 28 H LYS 28 -6.268 -3.325 4.121
231 HA LYS 28 HA LYS 28 -7.565 -2.415 6.510
232 HB2 LYS 28 HB2 LYS 28 -8.642 -3.849 4.034
233 HB3 LYS 28 HB3 LYS 28 -9.671 -3.236 5.329
234 HG2 LYS 28 HG2 LYS 28 -9.165 -0.973 4.840
235 HG3 LYS 28 HG3 LYS 28 -7.758 -1.402 3.862
236 HD2 LYS 28 HD2 LYS 28 -9.304 -2.436 2.170
237 HD3 LYS 28 HD3 LYS 28 -10.679 -1.872 3.127
238 HE2 LYS 28 HE2 LYS 28 -10.028 0.453 2.770
239 HE3 LYS 28 HE3 LYS 28 -8.547 -0.054 1.951
240 HZ1 LYS 28 HZ1 LYS 28 -9.872 -1.009 0.184
241 HZ2 LYS 28 HZ2 LYS 28 -10.261 0.622 0.393
242 HZ3 LYS 28 HZ3 LYS 28 -11.304 -0.576 0.971
243 H GLU 29 H GLU 29 -7.517 -5.626 4.933
244 HA GLU 29 HA GLU 29 -8.754 -6.932 7.201
245 HB2 GLU 29 HB2 GLU 29 -8.539 -9.005 5.801
246 HB3 GLU 29 HB3 GLU 29 -9.377 -7.688 4.994
247 HG2 GLU 29 HG2 GLU 29 -7.423 -7.197 3.631
248 HG3 GLU 29 HG3 GLU 29 -6.459 -8.367 4.532
249 H GLY 30 H GLY 30 -5.489 -6.769 5.852
250 HA2 GLY 30 HA2 GLY 30 -4.479 -8.799 7.738
251 HA3 GLY 30 HA3 GLY 30 -3.663 -8.198 6.305
252 H THR 31 H THR 31 -1.835 -8.033 7.831
253 HA THR 31 HA THR 31 -1.862 -5.897 9.806
254 HB THR 31 HB THR 31 0.602 -6.482 10.038
255 HG1 THR 31 HG1 THR 31 1.341 -8.299 8.912
256 HG21 THR 31 HG21 THR 31 0.250 -8.719 11.042
257 HG22 THR 31 HG22 THR 31 -1.324 -8.831 10.252
258 HG23 THR 31 HG23 THR 31 -1.042 -7.606 11.493
259 H SER 32 H SER 32 -1.175 -3.845 9.464
260 HA SER 32 HA SER 32 -0.994 -2.802 6.843
261 HB2 SER 32 HB2 SER 32 -0.478 -0.638 8.045
262 HB3 SER 32 HB3 SER 32 -1.914 -1.460 8.649
263 HG SER 32 HG SER 32 -0.986 -1.375 10.524
264 H GLU 33 H GLU 33 1.462 -3.559 9.304
265 HA GLU 33 HA GLU 33 3.714 -2.400 8.110
266 HB2 GLU 33 HB2 GLU 33 3.531 -4.866 9.881
267 HB3 GLU 33 HB3 GLU 33 5.052 -4.102 9.424
268 HG2 GLU 33 HG2 GLU 33 4.276 -1.992 10.526
269 HG3 GLU 33 HG3 GLU 33 2.830 -2.847 11.064
270 H ASP 34 H ASP 34 2.215 -5.556 7.468
271 HA ASP 34 HA ASP 34 4.286 -6.424 5.646
272 HB2 ASP 34 HB2 ASP 34 1.549 -7.534 6.390
273 HB3 ASP 34 HB3 ASP 34 2.429 -8.190 5.008
274 H ALA 35 H ALA 35 1.235 -4.709 5.323
275 HA ALA 35 HA ALA 35 0.931 -4.930 2.501
276 HB1 ALA 35 HB1 ALA 35 -0.700 -3.108 2.730
277 HB2 ALA 35 HB2 ALA 35 -0.129 -2.783 4.371
278 HB3 ALA 35 HB3 ALA 35 -0.923 -4.315 3.996
279 H GLU 36 H GLU 36 2.275 -2.290 4.522
280 HA GLU 36 HA GLU 36 3.201 -0.670 2.380
281 HB2 GLU 36 HB2 GLU 36 4.634 0.459 4.078
282 HB3 GLU 36 HB3 GLU 36 2.951 0.322 4.568
283 HG2 GLU 36 HG2 GLU 36 3.408 -1.058 6.328
284 HG3 GLU 36 HG3 GLU 36 4.683 -1.913 5.477
285 H ARG 37 H ARG 37 4.679 -3.369 4.116
286 HA ARG 37 HA ARG 37 7.300 -3.155 3.075
287 HB2 ARG 37 HB2 ARG 37 5.748 -5.196 4.544
288 HB3 ARG 37 HB3 ARG 37 6.811 -5.946 3.365
289 HG2 ARG 37 HG2 ARG 37 7.843 -5.796 5.598
290 HG3 ARG 37 HG3 ARG 37 8.766 -4.911 4.387
291 HD2 ARG 37 HD2 ARG 37 7.902 -2.792 5.224
292 HD3 ARG 37 HD3 ARG 37 6.836 -3.631 6.354
293 HE ARG 37 HE ARG 37 9.479 -4.432 6.833
294 HH11 ARG 37 HH11 ARG 37 7.518 -1.526 7.247
295 HH12 ARG 37 HH12 ARG 37 8.470 -0.945 8.576
296 HH21 ARG 37 HH21 ARG 37 10.691 -3.659 8.565
297 HH22 ARG 37 HH22 ARG 37 10.265 -2.155 9.317
298 H MET 38 H MET 38 4.339 -4.686 1.810
299 HA MET 38 HA MET 38 5.559 -5.710 -0.592
300 HB2 MET 38 HB2 MET 38 2.627 -5.197 0.041
301 HB3 MET 38 HB3 MET 38 3.210 -6.033 -1.391
302 HG2 MET 38 HG2 MET 38 3.489 -6.973 1.466
303 HG3 MET 38 HG3 MET 38 2.365 -7.599 0.273
304 HE1 MET 38 HE1 MET 38 6.285 -7.192 1.052
305 HE2 MET 38 HE2 MET 38 6.680 -8.906 0.927
306 HE3 MET 38 HE3 MET 38 5.492 -8.361 2.112
307 H ALA 39 H ALA 39 4.239 -2.599 0.359
308 HA ALA 39 HA ALA 39 4.040 -1.403 -2.226
309 HB1 ALA 39 HB1 ALA 39 4.048 0.749 -1.024
310 HB2 ALA 39 HB2 ALA 39 4.567 -0.066 0.455
311 HB3 ALA 39 HB3 ALA 39 2.979 -0.410 -0.230
312 H ARG 40 H ARG 40 6.643 -1.755 0.112
313 HA ARG 40 HA ARG 40 8.616 -0.227 -1.291
314 HB2 ARG 40 HB2 ARG 40 8.968 -2.379 0.851
315 HB3 ARG 40 HB3 ARG 40 10.210 -1.235 0.328
316 HG2 ARG 40 HG2 ARG 40 8.866 0.651 1.155
317 HG3 ARG 40 HG3 ARG 40 7.569 -0.452 1.605
318 HD2 ARG 40 HD2 ARG 40 9.268 -1.565 3.183
319 HD3 ARG 40 HD3 ARG 40 10.301 -0.162 2.891
320 HE ARG 40 HE ARG 40 8.015 -0.307 4.594
321 HH11 ARG 40 HH11 ARG 40 9.705 2.011 2.524
322 HH12 ARG 40 HH12 ARG 40 9.099 3.381 3.399
323 HH21 ARG 40 HH21 ARG 40 7.231 1.507 5.677
324 HH22 ARG 40 HH22 ARG 40 7.706 3.099 5.175
325 H ASN 41 H ASN 41 7.567 -3.583 -1.319
326 HA ASN 41 HA ASN 41 9.673 -4.502 -3.107
327 HB2 ASN 41 HB2 ASN 41 7.096 -5.823 -2.139
328 HB3 ASN 41 HB3 ASN 41 8.133 -6.580 -3.340
329 HD21 ASN 41 HD21 ASN 41 7.648 -6.053 -0.007
330 HD22 ASN 41 HD22 ASN 41 9.071 -6.838 0.563
331 H CYS 42 H CYS 42 6.535 -3.076 -3.408
332 HA CYS 42 HA CYS 42 5.896 -3.829 -6.072
333 HB2 CYS 42 HB2 CYS 42 4.211 -2.925 -4.463
334 HB3 CYS 42 HB3 CYS 42 4.983 -1.351 -4.543
335 H GLU 43 H GLU 43 7.198 -0.802 -4.696
336 HA GLU 43 HA GLU 43 8.438 -0.151 -7.312
337 HB2 GLU 43 HB2 GLU 43 7.009 1.740 -5.394
338 HB3 GLU 43 HB3 GLU 43 8.024 2.282 -6.724
339 HG2 GLU 43 HG2 GLU 43 5.510 0.618 -7.000
340 HG3 GLU 43 HG3 GLU 43 5.629 2.351 -7.301
341 H SER 44 H SER 44 8.563 1.042 -3.918
342 HA SER 44 HA SER 44 11.243 0.338 -3.403
343 HB2 SER 44 HB2 SER 44 12.290 2.676 -3.513
344 HB3 SER 44 HB3 SER 44 11.982 1.930 -5.078
345 HG SER 44 HG SER 44 9.884 3.444 -4.134
Start of MODEL 2
1 H1 ALA 1 H1 ALA 1 -3.839 5.887 10.719
2 H2 ALA 1 H2 ALA 1 -4.548 5.044 12.003
3 H3 ALA 1 H3 ALA 1 -4.541 6.738 11.998
4 HA ALA 1 HA ALA 1 -6.718 5.829 11.404
5 HB1 ALA 1 HB1 ALA 1 -7.026 7.255 9.393
6 HB2 ALA 1 HB2 ALA 1 -5.272 7.329 9.189
7 HB3 ALA 1 HB3 ALA 1 -6.024 8.052 10.611
8 HA PRO 2 HA PRO 2 -6.751 2.002 9.209
9 HB2 PRO 2 HB2 PRO 2 -9.256 2.018 8.013
10 HB3 PRO 2 HB3 PRO 2 -8.993 1.732 9.745
11 HG2 PRO 2 HG2 PRO 2 -9.749 4.294 8.358
12 HG3 PRO 2 HG3 PRO 2 -10.429 3.583 9.842
13 HD2 PRO 2 HD2 PRO 2 -8.636 5.561 9.998
14 HD3 PRO 2 HD3 PRO 2 -8.588 4.210 11.158
15 H CYS 3 H CYS 3 -5.144 2.190 7.684
16 HA CYS 3 HA CYS 3 -4.184 1.964 5.680
17 HB2 CYS 3 HB2 CYS 3 -6.993 1.978 4.514
18 HB3 CYS 3 HB3 CYS 3 -5.533 1.388 3.715
19 H GLU 4 H GLU 4 -5.375 4.728 6.704
20 HA GLU 4 HA GLU 4 -5.483 6.354 4.321
21 HB2 GLU 4 HB2 GLU 4 -5.441 7.041 7.288
22 HB3 GLU 4 HB3 GLU 4 -5.597 8.252 6.016
23 HG2 GLU 4 HG2 GLU 4 -7.541 5.964 6.462
24 HG3 GLU 4 HG3 GLU 4 -7.762 7.598 7.086
25 H ASP 5 H ASP 5 -3.236 6.033 7.079
26 HA ASP 5 HA ASP 5 -1.242 7.855 6.310
27 HB2 ASP 5 HB2 ASP 5 -0.911 5.241 7.862
28 HB3 ASP 5 HB3 ASP 5 0.255 6.564 7.842
29 H LEU 6 H LEU 6 -1.697 4.455 5.561
30 HA LEU 6 HA LEU 6 0.698 4.055 4.086
31 HB2 LEU 6 HB2 LEU 6 -0.731 2.324 5.261
32 HB3 LEU 6 HB3 LEU 6 -1.884 2.464 3.953
33 HG LEU 6 HG LEU 6 0.967 1.740 3.239
34 HD11 LEU 6 HD11 LEU 6 0.571 -0.621 3.671
35 HD12 LEU 6 HD12 LEU 6 -1.000 -0.252 4.386
36 HD13 LEU 6 HD13 LEU 6 0.482 0.311 5.164
37 HD21 LEU 6 HD21 LEU 6 -0.120 0.371 1.498
38 HD22 LEU 6 HD22 LEU 6 -0.667 2.044 1.419
39 HD23 LEU 6 HD23 LEU 6 -1.711 0.813 2.132
40 H LYS 7 H LYS 7 -2.570 5.109 3.281
41 HA LYS 7 HA LYS 7 -2.393 4.888 0.434
42 HB2 LYS 7 HB2 LYS 7 -4.470 5.013 1.930
43 HB3 LYS 7 HB3 LYS 7 -4.231 6.753 1.966
44 HG2 LYS 7 HG2 LYS 7 -4.553 6.855 -0.479
45 HG3 LYS 7 HG3 LYS 7 -4.711 5.095 -0.542
46 HD2 LYS 7 HD2 LYS 7 -6.603 7.066 0.800
47 HD3 LYS 7 HD3 LYS 7 -6.947 6.043 -0.594
48 HE2 LYS 7 HE2 LYS 7 -6.803 4.036 0.817
49 HE3 LYS 7 HE3 LYS 7 -6.354 5.020 2.209
50 HZ1 LYS 7 HZ1 LYS 7 -8.954 5.169 0.784
51 HZ2 LYS 7 HZ2 LYS 7 -8.509 6.062 2.150
52 HZ3 LYS 7 HZ3 LYS 7 -8.673 4.386 2.260
53 H GLU 8 H GLU 8 -1.605 7.414 2.729
54 HA GLU 8 HA GLU 8 -1.172 9.494 0.813
55 HB2 GLU 8 HB2 GLU 8 -0.017 9.293 3.613
56 HB3 GLU 8 HB3 GLU 8 -0.180 10.753 2.637
57 HG2 GLU 8 HG2 GLU 8 -2.358 9.128 3.943
58 HG3 GLU 8 HG3 GLU 8 -1.919 10.796 4.273
59 H ARG 9 H ARG 9 0.793 6.902 2.128
60 HA ARG 9 HA ARG 9 3.262 7.664 0.896
61 HB2 ARG 9 HB2 ARG 9 2.237 4.882 1.630
62 HB3 ARG 9 HB3 ARG 9 3.905 5.270 1.207
63 HG2 ARG 9 HG2 ARG 9 4.088 6.699 3.203
64 HG3 ARG 9 HG3 ARG 9 2.406 6.356 3.616
65 HD2 ARG 9 HD2 ARG 9 2.978 3.952 3.862
66 HD3 ARG 9 HD3 ARG 9 4.668 4.327 3.493
67 HE ARG 9 HE ARG 9 3.723 5.904 5.655
68 HH11 ARG 9 HH11 ARG 9 4.810 2.629 4.939
69 HH12 ARG 9 HH12 ARG 9 5.313 2.319 6.569
70 HH21 ARG 9 HH21 ARG 9 4.356 5.467 7.783
71 HH22 ARG 9 HH22 ARG 9 5.056 3.932 8.184
72 H LEU 10 H LEU 10 0.487 5.615 -0.084
73 HA LEU 10 HA LEU 10 1.478 4.516 -2.448
74 HB2 LEU 10 HB2 LEU 10 -1.414 5.257 -1.835
75 HB3 LEU 10 HB3 LEU 10 -0.908 4.187 -3.134
76 HG LEU 10 HG LEU 10 -0.628 3.640 -0.156
77 HD11 LEU 10 HD11 LEU 10 -2.923 3.447 -0.915
78 HD12 LEU 10 HD12 LEU 10 -2.256 1.868 -0.515
79 HD13 LEU 10 HD13 LEU 10 -2.429 2.349 -2.204
80 HD21 LEU 10 HD21 LEU 10 1.265 2.673 -1.344
81 HD22 LEU 10 HD22 LEU 10 0.174 1.882 -2.486
82 HD23 LEU 10 HD23 LEU 10 0.167 1.414 -0.783
83 H LYS 11 H LYS 11 -0.251 7.608 -1.969
84 HA LYS 11 HA LYS 11 -0.449 8.261 -4.741
85 HB2 LYS 11 HB2 LYS 11 -1.083 10.523 -3.979
86 HB3 LYS 11 HB3 LYS 11 -1.969 9.254 -3.149
87 HG2 LYS 11 HG2 LYS 11 -0.624 9.532 -1.150
88 HG3 LYS 11 HG3 LYS 11 0.430 10.683 -1.974
89 HD2 LYS 11 HD2 LYS 11 -1.155 11.838 -0.483
90 HD3 LYS 11 HD3 LYS 11 -1.417 12.288 -2.166
91 HE2 LYS 11 HE2 LYS 11 -3.384 10.848 -2.284
92 HE3 LYS 11 HE3 LYS 11 -3.077 10.242 -0.653
93 HZ1 LYS 11 HZ1 LYS 11 -4.809 11.982 -0.726
94 HZ2 LYS 11 HZ2 LYS 11 -3.669 13.090 -1.297
95 HZ3 LYS 11 HZ3 LYS 11 -3.497 12.424 0.244
96 H LYS 12 H LYS 12 1.973 8.966 -2.263
97 HA LYS 12 HA LYS 12 3.489 10.816 -3.857
98 HB2 LYS 12 HB2 LYS 12 3.484 10.833 -1.340
99 HB3 LYS 12 HB3 LYS 12 4.347 9.294 -1.357
100 HG2 LYS 12 HG2 LYS 12 6.174 10.489 -2.711
101 HG3 LYS 12 HG3 LYS 12 5.345 11.998 -2.316
102 HD2 LYS 12 HD2 LYS 12 5.680 11.527 0.109
103 HD3 LYS 12 HD3 LYS 12 6.505 10.019 -0.310
104 HE2 LYS 12 HE2 LYS 12 8.230 11.346 -1.525
105 HE3 LYS 12 HE3 LYS 12 7.434 12.831 -1.000
106 HZ1 LYS 12 HZ1 LYS 12 9.321 12.272 0.407
107 HZ2 LYS 12 HZ2 LYS 12 8.628 10.779 0.793
108 HZ3 LYS 12 HZ3 LYS 12 7.882 12.209 1.294
109 H LEU 13 H LEU 13 3.548 7.340 -3.299
110 HA LEU 13 HA LEU 13 6.184 6.862 -4.309
111 HB2 LEU 13 HB2 LEU 13 3.844 4.964 -3.808
112 HB3 LEU 13 HB3 LEU 13 5.437 4.421 -4.310
113 HG LEU 13 HG LEU 13 4.851 5.875 -1.700
114 HD11 LEU 13 HD11 LEU 13 3.852 3.645 -1.661
115 HD12 LEU 13 HD12 LEU 13 5.228 3.742 -0.564
116 HD13 LEU 13 HD13 LEU 13 5.398 2.922 -2.121
117 HD21 LEU 13 HD21 LEU 13 7.399 4.546 -2.641
118 HD22 LEU 13 HD22 LEU 13 7.118 5.282 -1.059
119 HD23 LEU 13 HD23 LEU 13 7.115 6.283 -2.505
120 H GLY 14 H GLY 14 2.998 7.186 -5.695
121 HA2 GLY 14 HA2 GLY 14 2.220 7.226 -7.843
122 HA3 GLY 14 HA3 GLY 14 3.868 7.621 -8.307
123 H MET 15 H MET 15 2.399 4.689 -6.939
124 HA MET 15 HA MET 15 3.812 2.968 -8.780
125 HB2 MET 15 HB2 MET 15 2.761 1.172 -7.388
126 HB3 MET 15 HB3 MET 15 3.653 2.337 -6.419
127 HG2 MET 15 HG2 MET 15 1.509 3.447 -5.821
128 HG3 MET 15 HG3 MET 15 0.645 2.239 -6.766
129 HE1 MET 15 HE1 MET 15 3.839 1.404 -4.577
130 HE2 MET 15 HE2 MET 15 3.080 1.131 -3.010
131 HE3 MET 15 HE3 MET 15 3.089 2.748 -3.710
132 H SER 16 H SER 16 2.195 0.962 -9.366
133 HA SER 16 HA SER 16 0.279 1.732 -11.270
134 HB2 SER 16 HB2 SER 16 0.487 -0.876 -9.687
135 HB3 SER 16 HB3 SER 16 -0.441 -0.663 -11.170
136 HG SER 16 HG SER 16 2.343 -0.131 -11.069
137 H GLU 17 H GLU 17 -1.917 2.183 -11.084
138 HA GLU 17 HA GLU 17 -2.992 3.006 -8.600
139 HB2 GLU 17 HB2 GLU 17 -3.627 3.661 -11.104
140 HB3 GLU 17 HB3 GLU 17 -4.777 2.346 -10.962
141 HG2 GLU 17 HG2 GLU 17 -4.699 4.665 -9.002
142 HG3 GLU 17 HG3 GLU 17 -5.620 4.725 -10.500
143 H GLU 18 H GLU 18 -3.143 0.020 -10.432
144 HA GLU 18 HA GLU 18 -4.994 -1.437 -8.873
145 HB2 GLU 18 HB2 GLU 18 -4.368 -2.186 -11.094
146 HB3 GLU 18 HB3 GLU 18 -2.669 -2.271 -10.649
147 HG2 GLU 18 HG2 GLU 18 -3.243 -4.154 -9.067
148 HG3 GLU 18 HG3 GLU 18 -4.893 -4.108 -9.688
149 H CYS 19 H CYS 19 -1.517 -0.774 -8.484
150 HA CYS 19 HA CYS 19 -0.848 -2.887 -6.717
151 HB2 CYS 19 HB2 CYS 19 0.847 -1.252 -7.880
152 HB3 CYS 19 HB3 CYS 19 0.468 -0.143 -6.583
153 H ARG 20 H ARG 20 -1.866 0.480 -6.213
154 HA ARG 20 HA ARG 20 -1.973 0.791 -3.474
155 HB2 ARG 20 HB2 ARG 20 -4.114 1.618 -5.480
156 HB3 ARG 20 HB3 ARG 20 -3.904 2.314 -3.874
157 HG2 ARG 20 HG2 ARG 20 -1.984 3.498 -4.508
158 HG3 ARG 20 HG3 ARG 20 -1.731 2.506 -5.955
159 HD2 ARG 20 HD2 ARG 20 -2.779 4.842 -6.318
160 HD3 ARG 20 HD3 ARG 20 -3.545 3.453 -7.081
161 HE ARG 20 HE ARG 20 -5.362 3.620 -5.707
162 HH11 ARG 20 HH11 ARG 20 -3.037 6.142 -4.859
163 HH12 ARG 20 HH12 ARG 20 -4.183 7.044 -3.914
164 HH21 ARG 20 HH21 ARG 20 -6.829 4.777 -4.415
165 HH22 ARG 20 HH22 ARG 20 -6.340 6.262 -3.662
166 H GLN 21 H GLN 21 -4.473 -0.521 -5.626
167 HA GLN 21 HA GLN 21 -6.480 -0.829 -3.725
168 HB2 GLN 21 HB2 GLN 21 -6.101 -2.270 -6.380
169 HB3 GLN 21 HB3 GLN 21 -7.613 -2.222 -5.470
170 HG2 GLN 21 HG2 GLN 21 -7.726 0.205 -5.753
171 HG3 GLN 21 HG3 GLN 21 -6.178 0.196 -6.598
172 HE21 GLN 21 HE21 GLN 21 -6.948 1.022 -8.513
173 HE22 GLN 21 HE22 GLN 21 -8.061 0.194 -9.543
174 H ARG 22 H ARG 22 -3.937 -2.965 -4.843
175 HA ARG 22 HA ARG 22 -4.683 -5.355 -3.483
176 HB2 ARG 22 HB2 ARG 22 -2.031 -4.391 -4.639
177 HB3 ARG 22 HB3 ARG 22 -2.274 -6.009 -3.992
178 HG2 ARG 22 HG2 ARG 22 -3.972 -6.456 -5.714
179 HG3 ARG 22 HG3 ARG 22 -3.769 -4.823 -6.352
180 HD2 ARG 22 HD2 ARG 22 -1.526 -5.311 -7.087
181 HD3 ARG 22 HD3 ARG 22 -1.507 -6.852 -6.224
182 HE ARG 22 HE ARG 22 -3.623 -6.828 -8.103
183 HH11 ARG 22 HH11 ARG 22 -0.093 -7.046 -8.023
184 HH12 ARG 22 HH12 ARG 22 0.001 -7.944 -9.503
185 HH21 ARG 22 HH21 ARG 22 -3.483 -8.010 -10.025
186 HH22 ARG 22 HH22 ARG 22 -1.938 -8.495 -10.647
187 H LEU 23 H LEU 23 -2.688 -2.557 -2.656
188 HA LEU 23 HA LEU 23 -1.428 -3.746 -0.343
189 HB2 LEU 23 HB2 LEU 23 -1.510 -0.934 -1.470
190 HB3 LEU 23 HB3 LEU 23 -0.514 -1.397 -0.106
191 HG LEU 23 HG LEU 23 -0.315 -2.621 -2.876
192 HD11 LEU 23 HD11 LEU 23 1.486 -0.579 -1.600
193 HD12 LEU 23 HD12 LEU 23 0.399 -0.333 -2.970
194 HD13 LEU 23 HD13 LEU 23 1.782 -1.411 -3.130
195 HD21 LEU 23 HD21 LEU 23 1.484 -2.998 -0.475
196 HD22 LEU 23 HD22 LEU 23 1.748 -3.649 -2.096
197 HD23 LEU 23 HD23 LEU 23 0.363 -4.185 -1.152
198 H GLU 24 H GLU 24 -3.877 -1.213 -0.804
199 HA GLU 24 HA GLU 24 -4.766 -0.829 1.782
200 HB2 GLU 24 HB2 GLU 24 -6.333 -0.831 -0.835
201 HB3 GLU 24 HB3 GLU 24 -6.974 -0.216 0.689
202 HG2 GLU 24 HG2 GLU 24 -5.348 1.572 0.740
203 HG3 GLU 24 HG3 GLU 24 -4.456 0.871 -0.611
204 H LYS 25 H LYS 25 -5.498 -3.456 -0.499
205 HA LYS 25 HA LYS 25 -7.481 -4.811 1.019
206 HB2 LYS 25 HB2 LYS 25 -7.186 -5.272 -1.357
207 HB3 LYS 25 HB3 LYS 25 -5.528 -5.780 -1.100
208 HG2 LYS 25 HG2 LYS 25 -6.907 -7.728 -1.505
209 HG3 LYS 25 HG3 LYS 25 -6.324 -7.763 0.160
210 HD2 LYS 25 HD2 LYS 25 -8.685 -8.455 0.027
211 HD3 LYS 25 HD3 LYS 25 -8.520 -6.968 0.964
212 HE2 LYS 25 HE2 LYS 25 -9.334 -5.643 -0.902
213 HE3 LYS 25 HE3 LYS 25 -9.309 -7.048 -1.965
214 HZ1 LYS 25 HZ1 LYS 25 -11.041 -8.057 -0.682
215 HZ2 LYS 25 HZ2 LYS 25 -11.537 -6.519 -1.165
216 HZ3 LYS 25 HZ3 LYS 25 -11.037 -6.785 0.427
217 H MET 26 H MET 26 -3.932 -5.178 0.825
218 HA MET 26 HA MET 26 -3.677 -7.290 2.710
219 HB2 MET 26 HB2 MET 26 -1.660 -5.178 1.856
220 HB3 MET 26 HB3 MET 26 -1.268 -6.593 2.823
221 HG2 MET 26 HG2 MET 26 -2.455 -6.862 0.067
222 HG3 MET 26 HG3 MET 26 -0.730 -6.640 0.317
223 HE1 MET 26 HE1 MET 26 -3.114 -10.488 1.273
224 HE2 MET 26 HE2 MET 26 -3.697 -9.136 0.302
225 HE3 MET 26 HE3 MET 26 -3.588 -8.983 2.055
226 H CYS 27 H CYS 27 -3.844 -3.805 3.003
227 HA CYS 27 HA CYS 27 -2.966 -3.499 5.681
228 HB2 CYS 27 HB2 CYS 27 -2.961 -1.554 4.291
229 HB3 CYS 27 HB3 CYS 27 -4.642 -1.779 3.827
230 H LYS 28 H LYS 28 -6.176 -3.993 4.240
231 HA LYS 28 HA LYS 28 -7.616 -3.677 6.727
232 HB2 LYS 28 HB2 LYS 28 -8.552 -4.702 4.008
233 HB3 LYS 28 HB3 LYS 28 -9.609 -4.277 5.354
234 HG2 LYS 28 HG2 LYS 28 -9.110 -1.953 5.152
235 HG3 LYS 28 HG3 LYS 28 -7.726 -2.264 4.097
236 HD2 LYS 28 HD2 LYS 28 -9.393 -3.215 2.406
237 HD3 LYS 28 HD3 LYS 28 -10.676 -2.565 3.430
238 HE2 LYS 28 HE2 LYS 28 -8.466 -0.946 2.116
239 HE3 LYS 28 HE3 LYS 28 -10.136 -1.056 1.554
240 HZ1 LYS 28 HZ1 LYS 28 -9.857 0.945 2.800
241 HZ2 LYS 28 HZ2 LYS 28 -9.204 0.116 4.116
242 HZ3 LYS 28 HZ3 LYS 28 -10.827 -0.096 3.704
243 H GLU 29 H GLU 29 -7.287 -6.402 4.418
244 HA GLU 29 HA GLU 29 -8.378 -8.266 6.395
245 HB2 GLU 29 HB2 GLU 29 -7.815 -8.639 3.424
246 HB3 GLU 29 HB3 GLU 29 -8.632 -9.806 4.466
247 HG2 GLU 29 HG2 GLU 29 -10.383 -8.027 4.910
248 HG3 GLU 29 HG3 GLU 29 -9.609 -7.054 3.661
249 H GLY 30 H GLY 30 -5.406 -7.234 6.087
250 HA2 GLY 30 HA2 GLY 30 -4.272 -9.790 7.029
251 HA3 GLY 30 HA3 GLY 30 -3.418 -8.902 5.765
252 H THR 31 H THR 31 -1.998 -7.407 6.404
253 HA THR 31 HA THR 31 -2.263 -5.971 8.960
254 HB THR 31 HB THR 31 0.264 -6.269 9.323
255 HG1 THR 31 HG1 THR 31 1.116 -8.197 8.264
256 HG21 THR 31 HG21 THR 31 -1.351 -7.582 10.697
257 HG22 THR 31 HG22 THR 31 0.138 -8.476 10.376
258 HG23 THR 31 HG23 THR 31 -1.329 -8.854 9.471
259 H SER 32 H SER 32 -1.721 -3.852 8.725
260 HA SER 32 HA SER 32 -1.150 -2.727 6.177
261 HB2 SER 32 HB2 SER 32 -2.451 -1.542 7.951
262 HB3 SER 32 HB3 SER 32 -0.985 -1.414 8.926
263 HG SER 32 HG SER 32 -0.069 -0.218 7.141
264 H GLU 33 H GLU 33 0.842 -3.950 8.722
265 HA GLU 33 HA GLU 33 3.276 -2.561 8.148
266 HB2 GLU 33 HB2 GLU 33 2.798 -5.223 9.556
267 HB3 GLU 33 HB3 GLU 33 4.308 -4.308 9.597
268 HG2 GLU 33 HG2 GLU 33 3.250 -2.493 10.807
269 HG3 GLU 33 HG3 GLU 33 1.659 -3.236 10.620
270 H ASP 34 H ASP 34 1.966 -5.752 7.148
271 HA ASP 34 HA ASP 34 4.140 -6.323 5.338
272 HB2 ASP 34 HB2 ASP 34 1.446 -7.624 5.808
273 HB3 ASP 34 HB3 ASP 34 2.380 -8.055 4.382
274 H ALA 35 H ALA 35 1.174 -4.535 5.121
275 HA ALA 35 HA ALA 35 0.936 -4.494 2.266
276 HB1 ALA 35 HB1 ALA 35 -0.699 -2.700 2.650
277 HB2 ALA 35 HB2 ALA 35 -0.205 -2.600 4.343
278 HB3 ALA 35 HB3 ALA 35 -0.982 -4.063 3.735
279 H GLU 36 H GLU 36 2.434 -2.287 4.667
280 HA GLU 36 HA GLU 36 3.360 -0.402 2.693
281 HB2 GLU 36 HB2 GLU 36 4.600 0.675 4.481
282 HB3 GLU 36 HB3 GLU 36 3.001 0.255 5.080
283 HG2 GLU 36 HG2 GLU 36 3.873 -1.590 6.351
284 HG3 GLU 36 HG3 GLU 36 5.459 -1.433 5.599
285 H ARG 37 H ARG 37 4.647 -3.259 4.266
286 HA ARG 37 HA ARG 37 7.292 -3.314 3.375
287 HB2 ARG 37 HB2 ARG 37 6.406 -4.908 5.000
288 HB3 ARG 37 HB3 ARG 37 5.277 -5.549 3.819
289 HG2 ARG 37 HG2 ARG 37 7.225 -6.429 2.508
290 HG3 ARG 37 HG3 ARG 37 8.288 -5.885 3.811
291 HD2 ARG 37 HD2 ARG 37 7.136 -7.377 5.397
292 HD3 ARG 37 HD3 ARG 37 6.012 -7.883 4.132
293 HE ARG 37 HE ARG 37 8.741 -8.345 3.399
294 HH11 ARG 37 HH11 ARG 37 6.105 -9.736 5.298
295 HH12 ARG 37 HH12 ARG 37 6.730 -11.349 5.189
296 HH21 ARG 37 HH21 ARG 37 9.558 -10.462 3.316
297 HH22 ARG 37 HH22 ARG 37 8.689 -11.760 4.071
298 H MET 38 H MET 38 4.333 -4.528 1.774
299 HA MET 38 HA MET 38 5.710 -5.238 -0.652
300 HB2 MET 38 HB2 MET 38 2.754 -5.120 0.037
301 HB3 MET 38 HB3 MET 38 3.358 -5.637 -1.529
302 HG2 MET 38 HG2 MET 38 3.966 -7.019 1.098
303 HG3 MET 38 HG3 MET 38 2.715 -7.510 -0.035
304 HE1 MET 38 HE1 MET 38 7.204 -8.407 -0.347
305 HE2 MET 38 HE2 MET 38 6.264 -8.131 1.120
306 HE3 MET 38 HE3 MET 38 6.675 -6.777 0.066
307 H ALA 39 H ALA 39 4.204 -2.338 0.572
308 HA ALA 39 HA ALA 39 3.626 -1.036 -1.890
309 HB1 ALA 39 HB1 ALA 39 2.665 -0.295 0.256
310 HB2 ALA 39 HB2 ALA 39 3.496 1.031 -0.559
311 HB3 ALA 39 HB3 ALA 39 4.265 0.212 0.808
312 H ARG 40 H ARG 40 6.434 -0.952 0.255
313 HA ARG 40 HA ARG 40 7.972 0.777 -1.488
314 HB2 ARG 40 HB2 ARG 40 9.732 0.585 0.203
315 HB3 ARG 40 HB3 ARG 40 8.185 0.962 0.953
316 HG2 ARG 40 HG2 ARG 40 7.950 -1.477 1.544
317 HG3 ARG 40 HG3 ARG 40 9.584 -1.736 0.926
318 HD2 ARG 40 HD2 ARG 40 10.480 -0.191 2.626
319 HD3 ARG 40 HD3 ARG 40 8.844 0.122 3.225
320 HE ARG 40 HE ARG 40 10.188 -2.517 3.334
321 HH11 ARG 40 HH11 ARG 40 8.042 -0.150 4.818
322 HH12 ARG 40 HH12 ARG 40 7.729 -1.130 6.217
323 HH21 ARG 40 HH21 ARG 40 9.720 -3.821 5.127
324 HH22 ARG 40 HH22 ARG 40 8.687 -3.215 6.380
325 H ASN 41 H ASN 41 7.237 -2.447 -1.631
326 HA ASN 41 HA ASN 41 9.604 -3.038 -3.323
327 HB2 ASN 41 HB2 ASN 41 8.101 -4.917 -1.440
328 HB3 ASN 41 HB3 ASN 41 9.129 -5.506 -2.745
329 HD21 ASN 41 HD21 ASN 41 9.109 -3.796 0.300
330 HD22 ASN 41 HD22 ASN 41 10.783 -3.976 0.634
331 H CYS 42 H CYS 42 6.686 -2.017 -3.647
332 HA CYS 42 HA CYS 42 5.305 -3.830 -5.345
333 HB2 CYS 42 HB2 CYS 42 4.094 -1.983 -4.325
334 HB3 CYS 42 HB3 CYS 42 5.148 -0.790 -5.077
335 H GLU 43 H GLU 43 7.199 -0.926 -6.082
336 HA GLU 43 HA GLU 43 8.287 -2.069 -8.531
337 HB2 GLU 43 HB2 GLU 43 6.689 0.552 -8.497
338 HB3 GLU 43 HB3 GLU 43 7.722 0.038 -9.831
339 HG2 GLU 43 HG2 GLU 43 6.306 -1.908 -10.235
340 HG3 GLU 43 HG3 GLU 43 5.310 -1.512 -8.840
341 H SER 44 H SER 44 7.953 1.019 -6.783
342 HA SER 44 HA SER 44 10.851 1.440 -6.779
343 HB2 SER 44 HB2 SER 44 10.179 3.697 -5.816
344 HB3 SER 44 HB3 SER 44 9.580 3.365 -7.438
345 HG SER 44 HG SER 44 7.979 2.765 -5.191
Start of MODEL 3
1 H1 ALA 1 H1 ALA 1 -4.342 6.742 12.730
2 H2 ALA 1 H2 ALA 1 -5.896 6.472 13.329
3 H3 ALA 1 H3 ALA 1 -5.440 8.022 12.839
4 HA ALA 1 HA ALA 1 -6.850 7.019 11.184
5 HB1 ALA 1 HB1 ALA 1 -5.355 7.338 9.235
6 HB2 ALA 1 HB2 ALA 1 -3.950 7.236 10.295
7 HB3 ALA 1 HB3 ALA 1 -5.081 8.578 10.460
8 HA PRO 2 HA PRO 2 -6.547 2.545 10.959
9 HB2 PRO 2 HB2 PRO 2 -8.138 2.675 8.442
10 HB3 PRO 2 HB3 PRO 2 -8.553 1.926 9.994
11 HG2 PRO 2 HG2 PRO 2 -9.783 4.159 9.200
12 HG3 PRO 2 HG3 PRO 2 -9.357 3.912 10.912
13 HD2 PRO 2 HD2 PRO 2 -7.891 5.543 8.831
14 HD3 PRO 2 HD3 PRO 2 -8.320 5.978 10.506
15 H CYS 3 H CYS 3 -6.423 3.947 7.646
16 HA CYS 3 HA CYS 3 -3.839 2.652 7.110
17 HB2 CYS 3 HB2 CYS 3 -5.872 1.129 6.495
18 HB3 CYS 3 HB3 CYS 3 -6.153 2.262 5.179
19 H GLU 4 H GLU 4 -5.138 5.418 7.354
20 HA GLU 4 HA GLU 4 -5.224 6.656 4.783
21 HB2 GLU 4 HB2 GLU 4 -4.873 7.898 7.551
22 HB3 GLU 4 HB3 GLU 4 -5.245 8.794 6.084
23 HG2 GLU 4 HG2 GLU 4 -7.040 6.637 7.230
24 HG3 GLU 4 HG3 GLU 4 -7.207 8.351 7.602
25 H ASP 5 H ASP 5 -2.780 6.322 7.285
26 HA ASP 5 HA ASP 5 -0.763 8.000 6.275
27 HB2 ASP 5 HB2 ASP 5 -0.783 7.169 8.582
28 HB3 ASP 5 HB3 ASP 5 -0.602 5.514 8.023
29 H LEU 6 H LEU 6 -1.596 4.626 5.654
30 HA LEU 6 HA LEU 6 0.675 3.964 4.046
31 HB2 LEU 6 HB2 LEU 6 -0.729 2.220 5.125
32 HB3 LEU 6 HB3 LEU 6 -2.104 2.724 4.162
33 HG LEU 6 HG LEU 6 -0.724 2.089 2.073
34 HD11 LEU 6 HD11 LEU 6 1.481 2.021 3.074
35 HD12 LEU 6 HD12 LEU 6 1.073 0.472 2.344
36 HD13 LEU 6 HD13 LEU 6 1.005 0.662 4.098
37 HD21 LEU 6 HD21 LEU 6 -1.329 -0.259 2.184
38 HD22 LEU 6 HD22 LEU 6 -2.601 0.747 2.881
39 HD23 LEU 6 HD23 LEU 6 -1.513 -0.156 3.938
40 H LYS 7 H LYS 7 -2.677 4.936 3.399
41 HA LYS 7 HA LYS 7 -2.662 4.593 0.622
42 HB2 LYS 7 HB2 LYS 7 -4.698 4.598 2.010
43 HB3 LYS 7 HB3 LYS 7 -4.462 6.303 2.385
44 HG2 LYS 7 HG2 LYS 7 -6.212 5.868 0.656
45 HG3 LYS 7 HG3 LYS 7 -4.920 6.944 0.115
46 HD2 LYS 7 HD2 LYS 7 -3.858 5.072 -1.099
47 HD3 LYS 7 HD3 LYS 7 -5.121 3.977 -0.529
48 HE2 LYS 7 HE2 LYS 7 -5.562 6.398 -2.286
49 HE3 LYS 7 HE3 LYS 7 -5.496 4.727 -2.847
50 HZ1 LYS 7 HZ1 LYS 7 -7.419 4.247 -1.418
51 HZ2 LYS 7 HZ2 LYS 7 -7.768 5.400 -2.598
52 HZ3 LYS 7 HZ3 LYS 7 -7.514 5.885 -0.998
53 H GLU 8 H GLU 8 -1.917 7.411 2.630
54 HA GLU 8 HA GLU 8 -1.795 9.250 0.463
55 HB2 GLU 8 HB2 GLU 8 -0.872 10.852 2.036
56 HB3 GLU 8 HB3 GLU 8 -2.226 10.000 2.752
57 HG2 GLU 8 HG2 GLU 8 -0.805 10.033 4.548
58 HG3 GLU 8 HG3 GLU 8 -0.330 8.501 3.825
59 H ARG 9 H ARG 9 0.594 7.071 1.934
60 HA ARG 9 HA ARG 9 2.911 7.915 0.541
61 HB2 ARG 9 HB2 ARG 9 2.133 5.033 1.175
62 HB3 ARG 9 HB3 ARG 9 3.755 5.606 0.802
63 HG2 ARG 9 HG2 ARG 9 3.901 6.783 2.887
64 HG3 ARG 9 HG3 ARG 9 2.194 6.497 3.235
65 HD2 ARG 9 HD2 ARG 9 2.696 4.030 3.278
66 HD3 ARG 9 HD3 ARG 9 4.407 4.426 3.105
67 HE ARG 9 HE ARG 9 2.957 5.614 5.357
68 HH11 ARG 9 HH11 ARG 9 5.220 3.160 4.260
69 HH12 ARG 9 HH12 ARG 9 5.834 2.836 5.844
70 HH21 ARG 9 HH21 ARG 9 3.774 5.178 7.444
71 HH22 ARG 9 HH22 ARG 9 5.005 3.995 7.657
72 H LEU 10 H LEU 10 0.298 5.706 -0.329
73 HA LEU 10 HA LEU 10 1.391 4.566 -2.645
74 HB2 LEU 10 HB2 LEU 10 -1.577 4.928 -2.079
75 HB3 LEU 10 HB3 LEU 10 -0.838 3.702 -3.097
76 HG LEU 10 HG LEU 10 -0.754 3.881 -0.072
77 HD11 LEU 10 HD11 LEU 10 -2.805 2.933 -0.962
78 HD12 LEU 10 HD12 LEU 10 -1.867 1.736 -0.078
79 HD13 LEU 10 HD13 LEU 10 -1.880 1.714 -1.844
80 HD21 LEU 10 HD21 LEU 10 0.611 1.838 -0.048
81 HD22 LEU 10 HD22 LEU 10 1.462 3.199 -0.769
82 HD23 LEU 10 HD23 LEU 10 0.789 1.936 -1.804
83 H LYS 11 H LYS 11 -0.663 7.419 -2.208
84 HA LYS 11 HA LYS 11 -0.907 8.069 -5.006
85 HB2 LYS 11 HB2 LYS 11 -1.507 9.697 -2.514
86 HB3 LYS 11 HB3 LYS 11 -1.936 10.181 -4.150
87 HG2 LYS 11 HG2 LYS 11 -3.468 8.273 -4.346
88 HG3 LYS 11 HG3 LYS 11 -2.990 7.700 -2.744
89 HD2 LYS 11 HD2 LYS 11 -5.161 8.902 -2.658
90 HD3 LYS 11 HD3 LYS 11 -3.924 9.727 -1.709
91 HE2 LYS 11 HE2 LYS 11 -3.592 11.322 -3.600
92 HE3 LYS 11 HE3 LYS 11 -4.895 10.516 -4.476
93 HZ1 LYS 11 HZ1 LYS 11 -5.218 11.815 -1.820
94 HZ2 LYS 11 HZ2 LYS 11 -6.446 11.163 -2.784
95 HZ3 LYS 11 HZ3 LYS 11 -5.611 12.539 -3.296
96 H LYS 12 H LYS 12 1.068 9.226 -2.281
97 HA LYS 12 HA LYS 12 2.102 11.595 -3.484
98 HB2 LYS 12 HB2 LYS 12 1.979 11.283 -1.065
99 HB3 LYS 12 HB3 LYS 12 3.085 9.918 -1.151
100 HG2 LYS 12 HG2 LYS 12 4.888 11.495 -1.916
101 HG3 LYS 12 HG3 LYS 12 3.762 12.836 -1.684
102 HD2 LYS 12 HD2 LYS 12 4.757 10.923 0.450
103 HD3 LYS 12 HD3 LYS 12 5.240 12.609 0.257
104 HE2 LYS 12 HE2 LYS 12 2.902 13.321 0.729
105 HE3 LYS 12 HE3 LYS 12 2.439 11.631 0.945
106 HZ1 LYS 12 HZ1 LYS 12 4.068 11.535 2.785
107 HZ2 LYS 12 HZ2 LYS 12 2.793 12.594 3.068
108 HZ3 LYS 12 HZ3 LYS 12 4.312 13.199 2.636
109 H LEU 13 H LEU 13 3.402 8.347 -3.068
110 HA LEU 13 HA LEU 13 5.929 8.896 -4.334
111 HB2 LEU 13 HB2 LEU 13 4.660 6.253 -3.518
112 HB3 LEU 13 HB3 LEU 13 6.340 6.475 -3.981
113 HG LEU 13 HG LEU 13 5.021 7.662 -1.505
114 HD11 LEU 13 HD11 LEU 13 6.391 6.074 -0.218
115 HD12 LEU 13 HD12 LEU 13 6.952 5.335 -1.724
116 HD13 LEU 13 HD13 LEU 13 5.245 5.260 -1.282
117 HD21 LEU 13 HD21 LEU 13 7.921 7.764 -2.372
118 HD22 LEU 13 HD22 LEU 13 7.282 8.315 -0.820
119 HD23 LEU 13 HD23 LEU 13 6.787 9.116 -2.306
120 H GLY 14 H GLY 14 2.764 7.776 -5.248
121 HA2 GLY 14 HA2 GLY 14 1.772 7.612 -7.279
122 HA3 GLY 14 HA3 GLY 14 3.218 8.312 -7.986
123 H MET 15 H MET 15 2.147 5.219 -6.509
124 HA MET 15 HA MET 15 3.669 3.651 -8.442
125 HB2 MET 15 HB2 MET 15 2.907 1.725 -7.078
126 HB3 MET 15 HB3 MET 15 3.686 2.944 -6.084
127 HG2 MET 15 HG2 MET 15 1.416 3.760 -5.408
128 HG3 MET 15 HG3 MET 15 0.717 2.435 -6.319
129 HE1 MET 15 HE1 MET 15 3.246 3.233 -3.316
130 HE2 MET 15 HE2 MET 15 4.108 2.024 -4.274
131 HE3 MET 15 HE3 MET 15 3.468 1.602 -2.686
132 H SER 16 H SER 16 2.101 1.552 -9.047
133 HA SER 16 HA SER 16 0.207 2.544 -10.927
134 HB2 SER 16 HB2 SER 16 0.661 -0.304 -9.930
135 HB3 SER 16 HB3 SER 16 -0.248 0.143 -11.378
136 HG SER 16 HG SER 16 2.507 0.670 -10.900
137 H GLU 17 H GLU 17 -2.061 2.392 -10.909
138 HA GLU 17 HA GLU 17 -3.474 2.769 -8.518
139 HB2 GLU 17 HB2 GLU 17 -4.323 3.506 -10.695
140 HB3 GLU 17 HB3 GLU 17 -4.462 1.840 -11.241
141 HG2 GLU 17 HG2 GLU 17 -6.296 1.397 -9.768
142 HG3 GLU 17 HG3 GLU 17 -6.040 2.894 -8.874
143 H GLU 18 H GLU 18 -2.845 -0.148 -10.424
144 HA GLU 18 HA GLU 18 -4.367 -2.007 -8.976
145 HB2 GLU 18 HB2 GLU 18 -3.434 -2.564 -11.178
146 HB3 GLU 18 HB3 GLU 18 -1.791 -2.433 -10.554
147 HG2 GLU 18 HG2 GLU 18 -2.224 -4.375 -9.047
148 HG3 GLU 18 HG3 GLU 18 -3.853 -4.505 -9.697
149 H CYS 19 H CYS 19 -1.049 -0.744 -8.494
150 HA CYS 19 HA CYS 19 -0.147 -2.629 -6.602
151 HB2 CYS 19 HB2 CYS 19 1.311 -0.823 -7.746
152 HB3 CYS 19 HB3 CYS 19 0.591 0.337 -6.656
153 H ARG 20 H ARG 20 -1.717 0.555 -6.217
154 HA ARG 20 HA ARG 20 -1.772 0.730 -3.431
155 HB2 ARG 20 HB2 ARG 20 -3.981 1.725 -5.289
156 HB3 ARG 20 HB3 ARG 20 -3.578 2.330 -3.683
157 HG2 ARG 20 HG2 ARG 20 -1.415 3.148 -4.585
158 HG3 ARG 20 HG3 ARG 20 -1.929 2.634 -6.202
159 HD2 ARG 20 HD2 ARG 20 -3.472 4.530 -4.424
160 HD3 ARG 20 HD3 ARG 20 -2.375 5.053 -5.712
161 HE ARG 20 HE ARG 20 -4.618 3.275 -6.385
162 HH11 ARG 20 HH11 ARG 20 -3.222 6.513 -6.566
163 HH12 ARG 20 HH12 ARG 20 -4.344 7.061 -7.765
164 HH21 ARG 20 HH21 ARG 20 -6.164 4.063 -7.855
165 HH22 ARG 20 HH22 ARG 20 -6.017 5.660 -8.498
166 H GLN 21 H GLN 21 -4.238 -0.501 -5.684
167 HA GLN 21 HA GLN 21 -6.244 -0.962 -3.821
168 HB2 GLN 21 HB2 GLN 21 -5.764 -2.211 -6.562
169 HB3 GLN 21 HB3 GLN 21 -7.223 -2.523 -5.622
170 HG2 GLN 21 HG2 GLN 21 -7.786 -0.137 -5.662
171 HG3 GLN 21 HG3 GLN 21 -6.305 0.213 -6.552
172 HE21 GLN 21 HE21 GLN 21 -6.160 -0.424 -8.748
173 HE22 GLN 21 HE22 GLN 21 -7.575 -0.768 -9.677
174 H ARG 22 H ARG 22 -3.583 -2.996 -4.889
175 HA ARG 22 HA ARG 22 -4.219 -5.408 -3.552
176 HB2 ARG 22 HB2 ARG 22 -1.577 -4.176 -4.443
177 HB3 ARG 22 HB3 ARG 22 -1.676 -5.782 -3.754
178 HG2 ARG 22 HG2 ARG 22 -3.137 -6.491 -5.594
179 HG3 ARG 22 HG3 ARG 22 -3.047 -4.877 -6.297
180 HD2 ARG 22 HD2 ARG 22 -0.663 -5.149 -6.715
181 HD3 ARG 22 HD3 ARG 22 -0.647 -6.691 -5.848
182 HE ARG 22 HE ARG 22 -2.483 -6.653 -8.057
183 HH11 ARG 22 HH11 ARG 22 0.900 -7.173 -7.184
184 HH12 ARG 22 HH12 ARG 22 1.228 -8.167 -8.567
185 HH21 ARG 22 HH21 ARG 22 -2.052 -7.983 -9.853
186 HH22 ARG 22 HH22 ARG 22 -0.459 -8.626 -10.088
187 H LEU 23 H LEU 23 -2.425 -2.483 -2.594
188 HA LEU 23 HA LEU 23 -1.253 -3.643 -0.241
189 HB2 LEU 23 HB2 LEU 23 -1.419 -0.778 -1.225
190 HB3 LEU 23 HB3 LEU 23 -0.394 -1.317 0.080
191 HG LEU 23 HG LEU 23 -0.192 -2.224 -2.798
192 HD11 LEU 23 HD11 LEU 23 1.647 -0.420 -1.253
193 HD12 LEU 23 HD12 LEU 23 0.570 0.044 -2.573
194 HD13 LEU 23 HD13 LEU 23 1.925 -1.036 -2.885
195 HD21 LEU 23 HD21 LEU 23 0.445 -4.022 -1.301
196 HD22 LEU 23 HD22 LEU 23 1.596 -2.961 -0.483
197 HD23 LEU 23 HD23 LEU 23 1.835 -3.397 -2.177
198 H GLU 24 H GLU 24 -3.722 -1.106 -0.744
199 HA GLU 24 HA GLU 24 -4.612 -0.686 1.832
200 HB2 GLU 24 HB2 GLU 24 -6.280 -0.833 -0.709
201 HB3 GLU 24 HB3 GLU 24 -6.830 -0.123 0.807
202 HG2 GLU 24 HG2 GLU 24 -5.117 1.630 0.620
203 HG3 GLU 24 HG3 GLU 24 -4.514 0.888 -0.868
204 H LYS 25 H LYS 25 -5.411 -3.291 -0.436
205 HA LYS 25 HA LYS 25 -7.548 -4.430 1.045
206 HB2 LYS 25 HB2 LYS 25 -7.273 -4.786 -1.365
207 HB3 LYS 25 HB3 LYS 25 -5.746 -5.623 -1.097
208 HG2 LYS 25 HG2 LYS 25 -6.911 -7.461 0.029
209 HG3 LYS 25 HG3 LYS 25 -8.448 -6.604 -0.109
210 HD2 LYS 25 HD2 LYS 25 -6.769 -7.589 -2.445
211 HD3 LYS 25 HD3 LYS 25 -8.203 -8.397 -1.811
212 HE2 LYS 25 HE2 LYS 25 -9.568 -6.417 -2.409
213 HE3 LYS 25 HE3 LYS 25 -8.128 -5.628 -3.058
214 HZ1 LYS 25 HZ1 LYS 25 -9.399 -6.627 -4.822
215 HZ2 LYS 25 HZ2 LYS 25 -9.354 -8.140 -4.072
216 HZ3 LYS 25 HZ3 LYS 25 -7.932 -7.449 -4.666
217 H MET 26 H MET 26 -4.044 -5.053 0.938
218 HA MET 26 HA MET 26 -4.077 -7.291 2.744
219 HB2 MET 26 HB2 MET 26 -1.791 -5.426 1.984
220 HB3 MET 26 HB3 MET 26 -1.612 -6.918 2.899
221 HG2 MET 26 HG2 MET 26 -2.544 -8.152 0.917
222 HG3 MET 26 HG3 MET 26 -2.474 -6.638 0.019
223 HE1 MET 26 HE1 MET 26 1.278 -8.749 1.723
224 HE2 MET 26 HE2 MET 26 -0.359 -9.362 1.945
225 HE3 MET 26 HE3 MET 26 0.145 -7.876 2.754
226 H CYS 27 H CYS 27 -3.899 -3.848 3.069
227 HA CYS 27 HA CYS 27 -3.039 -3.659 5.776
228 HB2 CYS 27 HB2 CYS 27 -2.770 -1.853 4.175
229 HB3 CYS 27 HB3 CYS 27 -4.507 -1.751 3.941
230 H LYS 28 H LYS 28 -6.215 -3.711 4.207
231 HA LYS 28 HA LYS 28 -7.683 -3.108 6.653
232 HB2 LYS 28 HB2 LYS 28 -8.643 -3.737 3.820
233 HB3 LYS 28 HB3 LYS 28 -9.681 -3.215 5.147
234 HG2 LYS 28 HG2 LYS 28 -8.536 -1.058 5.236
235 HG3 LYS 28 HG3 LYS 28 -7.411 -1.577 3.980
236 HD2 LYS 28 HD2 LYS 28 -9.363 -1.800 2.405
237 HD3 LYS 28 HD3 LYS 28 -10.412 -1.135 3.660
238 HE2 LYS 28 HE2 LYS 28 -9.047 0.936 3.647
239 HE3 LYS 28 HE3 LYS 28 -8.061 0.248 2.350
240 HZ1 LYS 28 HZ1 LYS 28 -10.988 0.763 2.162
241 HZ2 LYS 28 HZ2 LYS 28 -9.987 0.196 0.925
242 HZ3 LYS 28 HZ3 LYS 28 -9.785 1.762 1.523
243 H GLU 29 H GLU 29 -7.179 -5.773 4.401
244 HA GLU 29 HA GLU 29 -8.488 -7.692 6.256
245 HB2 GLU 29 HB2 GLU 29 -7.918 -8.022 3.271
246 HB3 GLU 29 HB3 GLU 29 -8.827 -9.132 4.296
247 HG2 GLU 29 HG2 GLU 29 -10.624 -7.548 4.549
248 HG3 GLU 29 HG3 GLU 29 -9.688 -6.276 3.775
249 H GLY 30 H GLY 30 -6.352 -7.280 7.364
250 HA2 GLY 30 HA2 GLY 30 -4.670 -9.294 7.661
251 HA3 GLY 30 HA3 GLY 30 -3.973 -8.570 6.212
252 H THR 31 H THR 31 -2.209 -7.406 6.779
253 HA THR 31 HA THR 31 -2.378 -5.552 9.091
254 HB THR 31 HB THR 31 0.036 -5.970 9.561
255 HG1 THR 31 HG1 THR 31 1.092 -7.669 8.495
256 HG21 THR 31 HG21 THR 31 -0.170 -8.196 10.599
257 HG22 THR 31 HG22 THR 31 -1.589 -8.552 9.612
258 HG23 THR 31 HG23 THR 31 -1.661 -7.278 10.831
259 H SER 32 H SER 32 -1.693 -3.505 8.679
260 HA SER 32 HA SER 32 -0.902 -2.566 6.113
261 HB2 SER 32 HB2 SER 32 -0.429 -0.422 7.393
262 HB3 SER 32 HB3 SER 32 -2.052 -1.074 7.627
263 HG SER 32 HG SER 32 -1.636 -1.239 9.660
264 H GLU 33 H GLU 33 0.780 -3.957 8.752
265 HA GLU 33 HA GLU 33 3.414 -3.020 8.454
266 HB2 GLU 33 HB2 GLU 33 2.483 -5.792 9.342
267 HB3 GLU 33 HB3 GLU 33 4.036 -5.049 9.723
268 HG2 GLU 33 HG2 GLU 33 2.972 -3.385 11.129
269 HG3 GLU 33 HG3 GLU 33 1.369 -3.908 10.612
270 H ASP 34 H ASP 34 1.777 -5.900 7.087
271 HA ASP 34 HA ASP 34 3.983 -6.528 5.329
272 HB2 ASP 34 HB2 ASP 34 1.239 -7.746 5.734
273 HB3 ASP 34 HB3 ASP 34 2.265 -8.255 4.394
274 H ALA 35 H ALA 35 1.094 -4.636 5.110
275 HA ALA 35 HA ALA 35 0.852 -4.510 2.280
276 HB1 ALA 35 HB1 ALA 35 0.015 -2.446 4.346
277 HB2 ALA 35 HB2 ALA 35 -0.952 -3.824 3.809
278 HB3 ALA 35 HB3 ALA 35 -0.541 -2.540 2.672
279 H GLU 36 H GLU 36 2.639 -2.478 4.631
280 HA GLU 36 HA GLU 36 3.721 -0.728 2.609
281 HB2 GLU 36 HB2 GLU 36 5.041 0.290 4.373
282 HB3 GLU 36 HB3 GLU 36 3.392 0.050 4.937
283 HG2 GLU 36 HG2 GLU 36 4.137 -1.967 6.182
284 HG3 GLU 36 HG3 GLU 36 5.791 -1.656 5.654
285 H ARG 37 H ARG 37 4.792 -3.690 4.208
286 HA ARG 37 HA ARG 37 7.399 -3.915 3.173
287 HB2 ARG 37 HB2 ARG 37 5.306 -6.022 3.800
288 HB3 ARG 37 HB3 ARG 37 6.898 -6.459 3.200
289 HG2 ARG 37 HG2 ARG 37 7.949 -5.461 5.163
290 HG3 ARG 37 HG3 ARG 37 6.372 -4.944 5.769
291 HD2 ARG 37 HD2 ARG 37 5.655 -7.289 5.953
292 HD3 ARG 37 HD3 ARG 37 7.202 -7.830 5.292
293 HE ARG 37 HE ARG 37 7.940 -6.376 7.460
294 HH11 ARG 37 HH11 ARG 37 5.619 -9.012 7.088
295 HH12 ARG 37 HH12 ARG 37 5.857 -9.603 8.700
296 HH21 ARG 37 HH21 ARG 37 8.279 -7.182 9.546
297 HH22 ARG 37 HH22 ARG 37 7.382 -8.556 10.111
298 H MET 38 H MET 38 4.257 -4.856 1.736
299 HA MET 38 HA MET 38 5.397 -5.826 -0.714
300 HB2 MET 38 HB2 MET 38 2.548 -5.158 0.097
301 HB3 MET 38 HB3 MET 38 2.955 -5.729 -1.514
302 HG2 MET 38 HG2 MET 38 3.503 -7.284 1.020
303 HG3 MET 38 HG3 MET 38 2.071 -7.479 0.025
304 HE1 MET 38 HE1 MET 38 5.454 -8.903 0.798
305 HE2 MET 38 HE2 MET 38 6.095 -7.625 -0.234
306 HE3 MET 38 HE3 MET 38 6.190 -9.310 -0.750
307 H ALA 39 H ALA 39 4.336 -2.719 0.481
308 HA ALA 39 HA ALA 39 3.901 -1.389 -1.989
309 HB1 ALA 39 HB1 ALA 39 4.026 0.678 -0.656
310 HB2 ALA 39 HB2 ALA 39 4.704 -0.225 0.704
311 HB3 ALA 39 HB3 ALA 39 3.053 -0.546 0.165
312 H ARG 40 H ARG 40 6.714 -1.618 0.145
313 HA ARG 40 HA ARG 40 8.414 0.023 -1.456
314 HB2 ARG 40 HB2 ARG 40 10.155 -0.508 0.124
315 HB3 ARG 40 HB3 ARG 40 8.659 -0.247 1.007
316 HG2 ARG 40 HG2 ARG 40 8.395 -2.767 1.112
317 HG3 ARG 40 HG3 ARG 40 10.032 -2.894 0.461
318 HD2 ARG 40 HD2 ARG 40 10.162 -3.100 2.855
319 HD3 ARG 40 HD3 ARG 40 10.825 -1.520 2.420
320 HE ARG 40 HE ARG 40 8.063 -1.303 3.007
321 HH11 ARG 40 HH11 ARG 40 11.147 -1.719 4.676
322 HH12 ARG 40 HH12 ARG 40 10.567 -1.005 6.148
323 HH21 ARG 40 HH21 ARG 40 7.319 -0.436 4.942
324 HH22 ARG 40 HH22 ARG 40 8.383 -0.275 6.295
325 H ASN 41 H ASN 41 7.612 -3.371 -1.436
326 HA ASN 41 HA ASN 41 9.806 -4.051 -3.285
327 HB2 ASN 41 HB2 ASN 41 7.856 -5.760 -1.702
328 HB3 ASN 41 HB3 ASN 41 8.781 -6.440 -3.038
329 HD21 ASN 41 HD21 ASN 41 8.964 -5.232 0.211
330 HD22 ASN 41 HD22 ASN 41 10.595 -5.691 0.502
331 H CYS 42 H CYS 42 6.647 -2.959 -3.463
332 HA CYS 42 HA CYS 42 5.810 -4.245 -5.902
333 HB2 CYS 42 HB2 CYS 42 4.141 -3.263 -4.373
334 HB3 CYS 42 HB3 CYS 42 4.865 -1.671 -4.552
335 H GLU 43 H GLU 43 6.769 -0.878 -5.179
336 HA GLU 43 HA GLU 43 8.271 -0.601 -7.669
337 HB2 GLU 43 HB2 GLU 43 5.724 0.985 -7.097
338 HB3 GLU 43 HB3 GLU 43 6.928 1.510 -8.267
339 HG2 GLU 43 HG2 GLU 43 6.474 -0.314 -9.729
340 HG3 GLU 43 HG3 GLU 43 5.586 -1.192 -8.487
341 H SER 44 H SER 44 6.730 1.333 -5.104
342 HA SER 44 HA SER 44 9.178 2.972 -4.856
343 HB2 SER 44 HB2 SER 44 6.288 3.660 -4.168
344 HB3 SER 44 HB3 SER 44 7.670 4.760 -4.088
345 HG SER 44 HG SER 44 7.727 3.771 -6.491
Start of MODEL 4
1 H1 ALA 1 H1 ALA 1 -4.482 5.328 13.510
2 H2 ALA 1 H2 ALA 1 -6.111 4.924 13.685
3 H3 ALA 1 H3 ALA 1 -5.649 6.545 13.635
4 HA ALA 1 HA ALA 1 -6.631 5.849 11.550
5 HB1 ALA 1 HB1 ALA 1 -4.798 6.690 10.090
6 HB2 ALA 1 HB2 ALA 1 -3.657 6.466 11.417
7 HB3 ALA 1 HB3 ALA 1 -4.958 7.647 11.564
8 HA PRO 2 HA PRO 2 -5.647 1.489 10.806
9 HB2 PRO 2 HB2 PRO 2 -7.425 0.996 8.776
10 HB3 PRO 2 HB3 PRO 2 -7.916 1.171 10.473
11 HG2 PRO 2 HG2 PRO 2 -8.089 3.168 8.247
12 HG3 PRO 2 HG3 PRO 2 -9.249 2.823 9.549
13 HD2 PRO 2 HD2 PRO 2 -7.504 4.951 9.595
14 HD3 PRO 2 HD3 PRO 2 -8.171 4.191 11.057
15 H CYS 3 H CYS 3 -6.163 3.283 7.708
16 HA CYS 3 HA CYS 3 -3.628 2.191 6.649
17 HB2 CYS 3 HB2 CYS 3 -6.326 2.083 5.245
18 HB3 CYS 3 HB3 CYS 3 -4.788 1.597 4.530
19 H GLU 4 H GLU 4 -4.397 4.845 7.647
20 HA GLU 4 HA GLU 4 -4.883 6.557 5.362
21 HB2 GLU 4 HB2 GLU 4 -4.214 7.249 8.257
22 HB3 GLU 4 HB3 GLU 4 -4.741 8.402 7.027
23 HG2 GLU 4 HG2 GLU 4 -6.354 6.084 8.146
24 HG3 GLU 4 HG3 GLU 4 -6.611 7.804 8.464
25 H ASP 5 H ASP 5 -2.145 5.994 7.586
26 HA ASP 5 HA ASP 5 -0.217 7.619 6.349
27 HB2 ASP 5 HB2 ASP 5 0.133 6.574 8.579
28 HB3 ASP 5 HB3 ASP 5 0.204 4.981 7.833
29 H LEU 6 H LEU 6 -1.125 4.255 5.816
30 HA LEU 6 HA LEU 6 0.680 3.627 3.746
31 HB2 LEU 6 HB2 LEU 6 -0.535 1.966 5.091
32 HB3 LEU 6 HB3 LEU 6 -2.052 2.476 4.384
33 HG LEU 6 HG LEU 6 -0.039 1.555 2.376
34 HD11 LEU 6 HD11 LEU 6 -1.202 -0.452 4.315
35 HD12 LEU 6 HD12 LEU 6 0.501 -0.008 4.170
36 HD13 LEU 6 HD13 LEU 6 -0.309 -0.824 2.835
37 HD21 LEU 6 HD21 LEU 6 -1.978 0.359 1.429
38 HD22 LEU 6 HD22 LEU 6 -2.358 2.056 1.719
39 HD23 LEU 6 HD23 LEU 6 -2.953 0.819 2.829
40 H LYS 7 H LYS 7 -2.585 5.081 3.702
41 HA LYS 7 HA LYS 7 -2.929 4.864 0.868
42 HB2 LYS 7 HB2 LYS 7 -4.836 5.036 2.539
43 HB3 LYS 7 HB3 LYS 7 -4.472 6.751 2.698
44 HG2 LYS 7 HG2 LYS 7 -5.046 7.156 0.379
45 HG3 LYS 7 HG3 LYS 7 -5.169 5.430 0.054
46 HD2 LYS 7 HD2 LYS 7 -7.399 6.197 0.184
47 HD3 LYS 7 HD3 LYS 7 -7.107 5.379 1.715
48 HE2 LYS 7 HE2 LYS 7 -6.865 8.382 1.412
49 HE3 LYS 7 HE3 LYS 7 -8.396 7.594 1.779
50 HZ1 LYS 7 HZ1 LYS 7 -7.416 6.691 3.793
51 HZ2 LYS 7 HZ2 LYS 7 -7.304 8.376 3.781
52 HZ3 LYS 7 HZ3 LYS 7 -5.942 7.438 3.451
53 H GLU 8 H GLU 8 -1.696 7.361 2.997
54 HA GLU 8 HA GLU 8 -1.225 9.358 1.031
55 HB2 GLU 8 HB2 GLU 8 0.188 8.830 3.668
56 HB3 GLU 8 HB3 GLU 8 0.435 10.273 2.684
57 HG2 GLU 8 HG2 GLU 8 -2.194 9.416 3.925
58 HG3 GLU 8 HG3 GLU 8 -1.115 10.648 4.576
59 H ARG 9 H ARG 9 0.598 6.503 2.023
60 HA ARG 9 HA ARG 9 2.959 7.069 0.492
61 HB2 ARG 9 HB2 ARG 9 1.869 4.463 1.635
62 HB3 ARG 9 HB3 ARG 9 3.429 4.582 0.815
63 HG2 ARG 9 HG2 ARG 9 4.251 6.127 2.502
64 HG3 ARG 9 HG3 ARG 9 2.670 6.177 3.285
65 HD2 ARG 9 HD2 ARG 9 2.889 3.797 3.896
66 HD3 ARG 9 HD3 ARG 9 4.452 3.717 3.072
67 HE ARG 9 HE ARG 9 3.846 5.191 5.553
68 HH11 ARG 9 HH11 ARG 9 6.262 3.958 3.287
69 HH12 ARG 9 HH12 ARG 9 7.591 4.301 4.347
70 HH21 ARG 9 HH21 ARG 9 5.611 5.690 6.893
71 HH22 ARG 9 HH22 ARG 9 7.218 5.278 6.387
72 H LEU 10 H LEU 10 -0.147 5.572 -0.242
73 HA LEU 10 HA LEU 10 0.500 4.375 -2.720
74 HB2 LEU 10 HB2 LEU 10 -2.172 5.622 -1.982
75 HB3 LEU 10 HB3 LEU 10 -1.891 4.411 -3.225
76 HG LEU 10 HG LEU 10 -1.683 4.006 -0.219
77 HD11 LEU 10 HD11 LEU 10 -3.588 2.525 -0.472
78 HD12 LEU 10 HD12 LEU 10 -3.652 2.864 -2.204
79 HD13 LEU 10 HD13 LEU 10 -3.972 4.149 -1.037
80 HD21 LEU 10 HD21 LEU 10 0.021 2.633 -1.295
81 HD22 LEU 10 HD22 LEU 10 -1.179 1.962 -2.401
82 HD23 LEU 10 HD23 LEU 10 -1.281 1.628 -0.670
83 H LYS 11 H LYS 11 -0.644 7.667 -1.917
84 HA LYS 11 HA LYS 11 -0.553 8.565 -4.658
85 HB2 LYS 11 HB2 LYS 11 -1.200 10.764 -3.811
86 HB3 LYS 11 HB3 LYS 11 -2.216 9.510 -3.112
87 HG2 LYS 11 HG2 LYS 11 -1.022 9.648 -1.001
88 HG3 LYS 11 HG3 LYS 11 0.131 10.793 -1.683
89 HD2 LYS 11 HD2 LYS 11 -2.850 11.372 -1.436
90 HD3 LYS 11 HD3 LYS 11 -1.676 11.785 -0.185
91 HE2 LYS 11 HE2 LYS 11 -2.038 13.767 -1.461
92 HE3 LYS 11 HE3 LYS 11 -0.454 13.162 -1.930
93 HZ1 LYS 11 HZ1 LYS 11 -2.963 12.780 -3.475
94 HZ2 LYS 11 HZ2 LYS 11 -1.423 12.268 -3.950
95 HZ3 LYS 11 HZ3 LYS 11 -1.766 13.916 -3.822
96 H LYS 12 H LYS 12 1.678 8.679 -1.913
97 HA LYS 12 HA LYS 12 3.357 10.799 -2.891
98 HB2 LYS 12 HB2 LYS 12 3.100 9.904 -0.431
99 HB3 LYS 12 HB3 LYS 12 4.277 8.685 -0.891
100 HG2 LYS 12 HG2 LYS 12 4.810 11.671 -1.097
101 HG3 LYS 12 HG3 LYS 12 5.159 10.736 0.356
102 HD2 LYS 12 HD2 LYS 12 6.801 9.394 -0.848
103 HD3 LYS 12 HD3 LYS 12 6.362 10.158 -2.376
104 HE2 LYS 12 HE2 LYS 12 7.622 11.581 -0.006
105 HE3 LYS 12 HE3 LYS 12 8.467 11.070 -1.466
106 HZ1 LYS 12 HZ1 LYS 12 7.007 12.554 -2.751
107 HZ2 LYS 12 HZ2 LYS 12 7.923 13.393 -1.610
108 HZ3 LYS 12 HZ3 LYS 12 6.288 13.090 -1.319
109 H LEU 13 H LEU 13 3.521 7.259 -2.964
110 HA LEU 13 HA LEU 13 5.950 7.149 -4.516
111 HB2 LEU 13 HB2 LEU 13 3.924 5.080 -3.612
112 HB3 LEU 13 HB3 LEU 13 5.140 4.655 -4.804
113 HG LEU 13 HG LEU 13 6.946 5.117 -3.197
114 HD11 LEU 13 HD11 LEU 13 5.957 6.905 -1.891
115 HD12 LEU 13 HD12 LEU 13 6.519 5.606 -0.842
116 HD13 LEU 13 HD13 LEU 13 4.794 5.782 -1.185
117 HD21 LEU 13 HD21 LEU 13 6.021 2.855 -3.269
118 HD22 LEU 13 HD22 LEU 13 4.839 3.279 -2.027
119 HD23 LEU 13 HD23 LEU 13 6.564 3.259 -1.640
120 H GLY 14 H GLY 14 2.609 7.625 -5.218
121 HA2 GLY 14 HA2 GLY 14 1.376 7.813 -7.138
122 HA3 GLY 14 HA3 GLY 14 2.900 8.221 -7.929
123 H MET 15 H MET 15 1.520 5.272 -6.476
124 HA MET 15 HA MET 15 3.117 3.600 -8.155
125 HB2 MET 15 HB2 MET 15 2.159 1.790 -6.758
126 HB3 MET 15 HB3 MET 15 2.830 3.101 -5.804
127 HG2 MET 15 HG2 MET 15 0.520 3.957 -5.437
128 HG3 MET 15 HG3 MET 15 -0.101 2.577 -6.325
129 HE1 MET 15 HE1 MET 15 2.242 3.501 -3.203
130 HE2 MET 15 HE2 MET 15 3.086 2.199 -4.044
131 HE3 MET 15 HE3 MET 15 2.364 1.907 -2.460
132 H SER 16 H SER 16 1.976 1.472 -8.938
133 HA SER 16 HA SER 16 0.309 2.042 -11.139
134 HB2 SER 16 HB2 SER 16 0.743 -0.633 -9.730
135 HB3 SER 16 HB3 SER 16 0.159 -0.414 -11.381
136 HG SER 16 HG SER 16 2.736 0.089 -10.325
137 H GLU 17 H GLU 17 -1.914 1.503 -11.514
138 HA GLU 17 HA GLU 17 -3.689 2.062 -9.368
139 HB2 GLU 17 HB2 GLU 17 -3.942 2.136 -12.160
140 HB3 GLU 17 HB3 GLU 17 -4.942 0.760 -11.752
141 HG2 GLU 17 HG2 GLU 17 -6.345 2.710 -11.821
142 HG3 GLU 17 HG3 GLU 17 -6.199 2.194 -10.138
143 H GLU 18 H GLU 18 -2.366 -0.904 -10.667
144 HA GLU 18 HA GLU 18 -4.087 -2.685 -9.238
145 HB2 GLU 18 HB2 GLU 18 -2.712 -3.462 -11.146
146 HB3 GLU 18 HB3 GLU 18 -1.241 -3.041 -10.276
147 HG2 GLU 18 HG2 GLU 18 -1.980 -4.766 -8.509
148 HG3 GLU 18 HG3 GLU 18 -3.180 -5.294 -9.687
149 H CYS 19 H CYS 19 -1.098 -0.925 -8.494
150 HA CYS 19 HA CYS 19 -0.203 -2.529 -6.347
151 HB2 CYS 19 HB2 CYS 19 1.150 -0.747 -7.675
152 HB3 CYS 19 HB3 CYS 19 0.362 0.444 -6.668
153 H ARG 20 H ARG 20 -1.911 0.615 -6.370
154 HA ARG 20 HA ARG 20 -2.161 0.741 -3.554
155 HB2 ARG 20 HB2 ARG 20 -3.963 2.584 -4.178
156 HB3 ARG 20 HB3 ARG 20 -2.251 2.862 -4.402
157 HG2 ARG 20 HG2 ARG 20 -3.439 3.762 -6.257
158 HG3 ARG 20 HG3 ARG 20 -2.501 2.377 -6.810
159 HD2 ARG 20 HD2 ARG 20 -4.783 2.526 -7.805
160 HD3 ARG 20 HD3 ARG 20 -4.490 1.018 -6.941
161 HE ARG 20 HE ARG 20 -6.124 1.553 -5.465
162 HH11 ARG 20 HH11 ARG 20 -5.441 4.456 -7.377
163 HH12 ARG 20 HH12 ARG 20 -6.786 5.335 -6.722
164 HH21 ARG 20 HH21 ARG 20 -7.836 2.806 -4.585
165 HH22 ARG 20 HH22 ARG 20 -8.114 4.413 -5.171
166 H GLN 21 H GLN 21 -4.319 -0.633 -6.001
167 HA GLN 21 HA GLN 21 -6.576 -0.987 -4.256
168 HB2 GLN 21 HB2 GLN 21 -5.844 -2.299 -6.904
169 HB3 GLN 21 HB3 GLN 21 -7.322 -2.690 -6.021
170 HG2 GLN 21 HG2 GLN 21 -7.953 -0.270 -6.140
171 HG3 GLN 21 HG3 GLN 21 -6.561 0.001 -7.188
172 HE21 GLN 21 HE21 GLN 21 -6.613 -0.914 -9.317
173 HE22 GLN 21 HE22 GLN 21 -8.083 -1.433 -10.042
174 H ARG 22 H ARG 22 -3.754 -2.927 -5.070
175 HA ARG 22 HA ARG 22 -4.443 -5.284 -3.660
176 HB2 ARG 22 HB2 ARG 22 -1.806 -4.069 -4.558
177 HB3 ARG 22 HB3 ARG 22 -1.821 -5.517 -3.563
178 HG2 ARG 22 HG2 ARG 22 -3.192 -6.654 -5.312
179 HG3 ARG 22 HG3 ARG 22 -3.035 -5.216 -6.325
180 HD2 ARG 22 HD2 ARG 22 -0.647 -5.522 -6.497
181 HD3 ARG 22 HD3 ARG 22 -0.658 -6.795 -5.274
182 HE ARG 22 HE ARG 22 -2.240 -7.335 -7.642
183 HH11 ARG 22 HH11 ARG 22 0.938 -7.720 -6.158
184 HH12 ARG 22 HH12 ARG 22 1.373 -9.063 -7.164
185 HH21 ARG 22 HH21 ARG 22 -1.674 -9.141 -8.897
186 HH22 ARG 22 HH22 ARG 22 -0.111 -9.868 -8.718
187 H LEU 23 H LEU 23 -2.705 -2.313 -2.737
188 HA LEU 23 HA LEU 23 -1.733 -3.394 -0.279
189 HB2 LEU 23 HB2 LEU 23 -1.641 -0.615 -1.459
190 HB3 LEU 23 HB3 LEU 23 -0.822 -1.072 0.016
191 HG LEU 23 HG LEU 23 -0.290 -2.205 -2.746
192 HD11 LEU 23 HD11 LEU 23 1.438 -0.424 -1.040
193 HD12 LEU 23 HD12 LEU 23 0.559 0.044 -2.499
194 HD13 LEU 23 HD13 LEU 23 1.876 -1.121 -2.605
195 HD21 LEU 23 HD21 LEU 23 0.043 -3.975 -1.120
196 HD22 LEU 23 HD22 LEU 23 1.074 -2.930 -0.140
197 HD23 LEU 23 HD23 LEU 23 1.596 -3.433 -1.749
198 H GLU 24 H GLU 24 -4.345 -1.091 -1.076
199 HA GLU 24 HA GLU 24 -5.187 -0.511 1.549
200 HB2 GLU 24 HB2 GLU 24 -6.660 -0.654 -1.101
201 HB3 GLU 24 HB3 GLU 24 -7.540 -0.309 0.383
202 HG2 GLU 24 HG2 GLU 24 -5.159 1.344 -0.494
203 HG3 GLU 24 HG3 GLU 24 -6.793 1.676 -1.069
204 H LYS 25 H LYS 25 -5.816 -3.284 -0.568
205 HA LYS 25 HA LYS 25 -7.773 -4.579 1.098
206 HB2 LYS 25 HB2 LYS 25 -7.727 -5.091 -1.277
207 HB3 LYS 25 HB3 LYS 25 -6.045 -5.591 -1.196
208 HG2 LYS 25 HG2 LYS 25 -6.652 -7.580 0.093
209 HG3 LYS 25 HG3 LYS 25 -8.338 -7.066 0.150
210 HD2 LYS 25 HD2 LYS 25 -6.790 -7.798 -2.369
211 HD3 LYS 25 HD3 LYS 25 -7.942 -8.844 -1.537
212 HE2 LYS 25 HE2 LYS 25 -8.583 -6.192 -2.877
213 HE3 LYS 25 HE3 LYS 25 -8.965 -7.800 -3.498
214 HZ1 LYS 25 HZ1 LYS 25 -10.867 -6.717 -2.415
215 HZ2 LYS 25 HZ2 LYS 25 -10.024 -6.687 -0.947
216 HZ3 LYS 25 HZ3 LYS 25 -10.444 -8.164 -1.653
217 H MET 26 H MET 26 -4.293 -4.917 0.645
218 HA MET 26 HA MET 26 -3.876 -7.134 2.357
219 HB2 MET 26 HB2 MET 26 -1.948 -5.008 1.352
220 HB3 MET 26 HB3 MET 26 -1.459 -6.446 2.237
221 HG2 MET 26 HG2 MET 26 -2.827 -6.435 -0.464
222 HG3 MET 26 HG3 MET 26 -1.103 -6.662 -0.193
223 HE1 MET 26 HE1 MET 26 -1.160 -8.519 2.455
224 HE2 MET 26 HE2 MET 26 -0.087 -8.785 1.082
225 HE3 MET 26 HE3 MET 26 -1.072 -10.110 1.703
226 H CYS 27 H CYS 27 -4.049 -3.677 2.851
227 HA CYS 27 HA CYS 27 -2.825 -3.596 5.434
228 HB2 CYS 27 HB2 CYS 27 -2.835 -1.608 4.017
229 HB3 CYS 27 HB3 CYS 27 -4.595 -1.582 4.017
230 H LYS 28 H LYS 28 -6.209 -3.695 4.299
231 HA LYS 28 HA LYS 28 -7.239 -3.318 7.024
232 HB2 LYS 28 HB2 LYS 28 -8.830 -3.752 4.459
233 HB3 LYS 28 HB3 LYS 28 -9.434 -3.110 5.987
234 HG2 LYS 28 HG2 LYS 28 -8.070 -1.091 5.706
235 HG3 LYS 28 HG3 LYS 28 -7.371 -1.747 4.225
236 HD2 LYS 28 HD2 LYS 28 -9.940 -1.859 3.479
237 HD3 LYS 28 HD3 LYS 28 -10.120 -0.615 4.717
238 HE2 LYS 28 HE2 LYS 28 -8.352 -0.502 2.248
239 HE3 LYS 28 HE3 LYS 28 -9.809 0.444 2.555
240 HZ1 LYS 28 HZ1 LYS 28 -7.859 1.770 2.932
241 HZ2 LYS 28 HZ2 LYS 28 -7.236 0.644 4.022
242 HZ3 LYS 28 HZ3 LYS 28 -8.629 1.508 4.410
243 H GLU 29 H GLU 29 -7.421 -5.746 4.433
244 HA GLU 29 HA GLU 29 -8.809 -7.697 6.087
245 HB2 GLU 29 HB2 GLU 29 -7.839 -7.870 3.200
246 HB3 GLU 29 HB3 GLU 29 -8.880 -9.052 3.999
247 HG2 GLU 29 HG2 GLU 29 -10.640 -7.358 4.251
248 HG3 GLU 29 HG3 GLU 29 -9.591 -6.141 3.521
249 H GLY 30 H GLY 30 -5.629 -6.818 5.799
250 HA2 GLY 30 HA2 GLY 30 -4.761 -9.397 6.989
251 HA3 GLY 30 HA3 GLY 30 -3.768 -8.591 5.774
252 H THR 31 H THR 31 -2.382 -7.021 6.421
253 HA THR 31 HA THR 31 -2.817 -5.445 8.847
254 HB THR 31 HB THR 31 -0.317 -5.774 9.510
255 HG1 THR 31 HG1 THR 31 -0.612 -7.678 7.532
256 HG21 THR 31 HG21 THR 31 -2.147 -6.647 10.927
257 HG22 THR 31 HG22 THR 31 -0.750 -7.729 10.924
258 HG23 THR 31 HG23 THR 31 -2.178 -8.128 9.966
259 H SER 32 H SER 32 -1.950 -3.406 8.685
260 HA SER 32 HA SER 32 -1.099 -2.278 6.270
261 HB2 SER 32 HB2 SER 32 -2.070 -0.937 8.111
262 HB3 SER 32 HB3 SER 32 -0.659 -1.255 9.116
263 HG SER 32 HG SER 32 0.582 -0.168 7.410
264 H GLU 33 H GLU 33 0.675 -3.780 8.888
265 HA GLU 33 HA GLU 33 3.278 -2.842 8.593
266 HB2 GLU 33 HB2 GLU 33 2.483 -5.698 9.303
267 HB3 GLU 33 HB3 GLU 33 3.967 -4.866 9.778
268 HG2 GLU 33 HG2 GLU 33 2.708 -3.378 11.235
269 HG3 GLU 33 HG3 GLU 33 1.180 -4.070 10.677
270 H ASP 34 H ASP 34 1.779 -5.700 7.163
271 HA ASP 34 HA ASP 34 4.031 -6.528 5.630
272 HB2 ASP 34 HB2 ASP 34 2.426 -8.177 6.373
273 HB3 ASP 34 HB3 ASP 34 1.094 -7.332 5.588
274 H ALA 35 H ALA 35 1.080 -4.718 4.934
275 HA ALA 35 HA ALA 35 1.303 -4.695 2.106
276 HB1 ALA 35 HB1 ALA 35 -0.518 -3.068 2.208
277 HB2 ALA 35 HB2 ALA 35 -0.235 -2.841 3.939
278 HB3 ALA 35 HB3 ALA 35 -0.799 -4.400 3.332
279 H GLU 36 H GLU 36 2.478 -2.414 4.576
280 HA GLU 36 HA GLU 36 3.312 -0.395 2.689
281 HB2 GLU 36 HB2 GLU 36 4.392 0.711 4.613
282 HB3 GLU 36 HB3 GLU 36 2.736 0.240 4.999
283 HG2 GLU 36 HG2 GLU 36 3.656 -1.792 6.146
284 HG3 GLU 36 HG3 GLU 36 5.278 -1.162 5.856
285 H ARG 37 H ARG 37 4.806 -3.167 4.281
286 HA ARG 37 HA ARG 37 7.453 -2.796 3.274
287 HB2 ARG 37 HB2 ARG 37 5.999 -5.293 4.230
288 HB3 ARG 37 HB3 ARG 37 7.675 -5.306 3.686
289 HG2 ARG 37 HG2 ARG 37 8.221 -3.656 5.476
290 HG3 ARG 37 HG3 ARG 37 6.563 -3.805 6.071
291 HD2 ARG 37 HD2 ARG 37 8.517 -6.116 5.818
292 HD3 ARG 37 HD3 ARG 37 8.244 -5.211 7.308
293 HE ARG 37 HE ARG 37 6.281 -6.970 5.953
294 HH11 ARG 37 HH11 ARG 37 7.346 -5.321 8.908
295 HH12 ARG 37 HH12 ARG 37 6.160 -6.102 9.911
296 HH21 ARG 37 HH21 ARG 37 4.729 -7.979 7.308
297 HH22 ARG 37 HH22 ARG 37 4.685 -7.604 9.002
298 H MET 38 H MET 38 4.504 -4.213 1.941
299 HA MET 38 HA MET 38 5.804 -5.250 -0.424
300 HB2 MET 38 HB2 MET 38 2.865 -4.929 0.277
301 HB3 MET 38 HB3 MET 38 3.417 -5.587 -1.255
302 HG2 MET 38 HG2 MET 38 4.072 -6.808 1.442
303 HG3 MET 38 HG3 MET 38 2.718 -7.303 0.437
304 HE1 MET 38 HE1 MET 38 6.445 -7.867 1.270
305 HE2 MET 38 HE2 MET 38 6.719 -6.701 -0.025
306 HE3 MET 38 HE3 MET 38 7.160 -8.394 -0.251
307 H ALA 39 H ALA 39 4.364 -2.223 0.565
308 HA ALA 39 HA ALA 39 4.025 -1.012 -1.977
309 HB1 ALA 39 HB1 ALA 39 3.051 -0.087 0.086
310 HB2 ALA 39 HB2 ALA 39 4.020 1.126 -0.753
311 HB3 ALA 39 HB3 ALA 39 4.662 0.320 0.684
312 H ARG 40 H ARG 40 6.782 -1.143 0.243
313 HA ARG 40 HA ARG 40 8.497 0.489 -1.415
314 HB2 ARG 40 HB2 ARG 40 10.160 0.228 0.307
315 HB3 ARG 40 HB3 ARG 40 8.608 0.496 1.091
316 HG2 ARG 40 HG2 ARG 40 8.441 -1.933 1.558
317 HG3 ARG 40 HG3 ARG 40 10.011 -2.183 0.794
318 HD2 ARG 40 HD2 ARG 40 10.991 -0.615 2.550
319 HD3 ARG 40 HD3 ARG 40 9.416 -0.656 3.355
320 HE ARG 40 HE ARG 40 10.637 -3.235 2.803
321 HH11 ARG 40 HH11 ARG 40 10.178 -0.713 5.231
322 HH12 ARG 40 HH12 ARG 40 10.566 -1.761 6.558
323 HH21 ARG 40 HH21 ARG 40 11.126 -4.589 4.538
324 HH22 ARG 40 HH22 ARG 40 11.106 -3.970 6.162
325 H ASN 41 H ASN 41 7.447 -2.482 -2.019
326 HA ASN 41 HA ASN 41 9.906 -3.230 -3.497
327 HB2 ASN 41 HB2 ASN 41 7.949 -5.044 -2.030
328 HB3 ASN 41 HB3 ASN 41 8.920 -5.647 -3.370
329 HD21 ASN 41 HD21 ASN 41 9.020 -4.464 -0.084
330 HD22 ASN 41 HD22 ASN 41 10.606 -5.035 0.274
331 H CYS 42 H CYS 42 6.539 -2.546 -3.528
332 HA CYS 42 HA CYS 42 5.580 -4.039 -5.717
333 HB2 CYS 42 HB2 CYS 42 4.135 -2.910 -4.042
334 HB3 CYS 42 HB3 CYS 42 4.627 -1.346 -4.660
335 H GLU 43 H GLU 43 6.787 -0.714 -5.518
336 HA GLU 43 HA GLU 43 6.844 -0.479 -8.467
337 HB2 GLU 43 HB2 GLU 43 7.034 1.734 -6.376
338 HB3 GLU 43 HB3 GLU 43 6.891 1.943 -8.121
339 HG2 GLU 43 HG2 GLU 43 4.800 0.746 -6.290
340 HG3 GLU 43 HG3 GLU 43 4.771 2.372 -6.971
341 H SER 44 H SER 44 8.695 0.464 -5.571
342 HA SER 44 HA SER 44 11.256 0.024 -6.963
343 HB2 SER 44 HB2 SER 44 10.577 2.617 -5.496
344 HB3 SER 44 HB3 SER 44 12.096 2.231 -6.305
345 HG SER 44 HG SER 44 10.420 1.877 -8.168
Start of MODEL 5
1 H1 ALA 1 H1 ALA 1 -3.319 7.439 12.203
2 H2 ALA 1 H2 ALA 1 -2.614 6.379 11.092
3 H3 ALA 1 H3 ALA 1 -3.282 5.782 12.519
4 HA ALA 1 HA ALA 1 -5.463 6.375 11.850
5 HB1 ALA 1 HB1 ALA 1 -4.869 8.433 10.639
6 HB2 ALA 1 HB2 ALA 1 -5.878 7.392 9.635
7 HB3 ALA 1 HB3 ALA 1 -4.138 7.477 9.345
8 HA PRO 2 HA PRO 2 -5.311 2.238 10.268
9 HB2 PRO 2 HB2 PRO 2 -7.930 1.774 9.602
10 HB3 PRO 2 HB3 PRO 2 -7.389 1.957 11.286
11 HG2 PRO 2 HG2 PRO 2 -8.686 4.004 9.492
12 HG3 PRO 2 HG3 PRO 2 -9.029 3.628 11.198
13 HD2 PRO 2 HD2 PRO 2 -7.476 5.746 10.454
14 HD3 PRO 2 HD3 PRO 2 -7.216 4.865 11.975
15 H CYS 3 H CYS 3 -4.002 2.344 8.466
16 HA CYS 3 HA CYS 3 -3.338 2.001 6.351
17 HB2 CYS 3 HB2 CYS 3 -6.274 1.627 5.653
18 HB3 CYS 3 HB3 CYS 3 -4.902 1.111 4.673
19 H GLU 4 H GLU 4 -4.716 4.743 7.291
20 HA GLU 4 HA GLU 4 -5.415 5.980 4.756
21 HB2 GLU 4 HB2 GLU 4 -5.267 7.139 7.561
22 HB3 GLU 4 HB3 GLU 4 -5.882 7.999 6.154
23 HG2 GLU 4 HG2 GLU 4 -7.092 5.441 7.267
24 HG3 GLU 4 HG3 GLU 4 -7.651 7.065 7.665
25 H ASP 5 H ASP 5 -2.830 6.251 7.212
26 HA ASP 5 HA ASP 5 -1.306 8.334 6.038
27 HB2 ASP 5 HB2 ASP 5 -0.106 5.959 7.546
28 HB3 ASP 5 HB3 ASP 5 0.580 7.575 7.371
29 H LEU 6 H LEU 6 -1.365 4.872 5.611
30 HA LEU 6 HA LEU 6 0.825 4.604 3.834
31 HB2 LEU 6 HB2 LEU 6 -0.164 2.819 5.291
32 HB3 LEU 6 HB3 LEU 6 -1.573 2.785 4.255
33 HG LEU 6 HG LEU 6 1.025 2.300 2.841
34 HD11 LEU 6 HD11 LEU 6 1.237 -0.028 3.573
35 HD12 LEU 6 HD12 LEU 6 -0.044 0.217 4.764
36 HD13 LEU 6 HD13 LEU 6 1.484 1.088 4.915
37 HD21 LEU 6 HD21 LEU 6 -1.648 0.837 2.773
38 HD22 LEU 6 HD22 LEU 6 -0.289 0.557 1.680
39 HD23 LEU 6 HD23 LEU 6 -1.131 2.105 1.656
40 H LYS 7 H LYS 7 -2.709 4.799 3.361
41 HA LYS 7 HA LYS 7 -2.862 4.514 0.582
42 HB2 LYS 7 HB2 LYS 7 -4.804 4.351 2.058
43 HB3 LYS 7 HB3 LYS 7 -4.657 6.049 2.486
44 HG2 LYS 7 HG2 LYS 7 -5.141 6.609 0.059
45 HG3 LYS 7 HG3 LYS 7 -5.478 4.895 -0.205
46 HD2 LYS 7 HD2 LYS 7 -7.569 6.118 0.163
47 HD3 LYS 7 HD3 LYS 7 -7.284 4.992 1.494
48 HE2 LYS 7 HE2 LYS 7 -6.416 6.883 2.871
49 HE3 LYS 7 HE3 LYS 7 -6.756 7.988 1.539
50 HZ1 LYS 7 HZ1 LYS 7 -8.742 6.382 3.037
51 HZ2 LYS 7 HZ2 LYS 7 -9.101 7.410 1.744
52 HZ3 LYS 7 HZ3 LYS 7 -8.487 8.044 3.186
53 H GLU 8 H GLU 8 -2.488 7.469 2.546
54 HA GLU 8 HA GLU 8 -2.689 9.274 0.326
55 HB2 GLU 8 HB2 GLU 8 -2.212 11.048 1.889
56 HB3 GLU 8 HB3 GLU 8 -3.321 9.918 2.658
57 HG2 GLU 8 HG2 GLU 8 -1.423 8.933 3.909
58 HG3 GLU 8 HG3 GLU 8 -0.336 10.104 3.167
59 H ARG 9 H ARG 9 -0.076 7.522 1.871
60 HA ARG 9 HA ARG 9 2.044 8.934 0.532
61 HB2 ARG 9 HB2 ARG 9 1.960 6.275 1.981
62 HB3 ARG 9 HB3 ARG 9 3.423 6.874 1.194
63 HG2 ARG 9 HG2 ARG 9 3.372 8.887 2.631
64 HG3 ARG 9 HG3 ARG 9 1.913 8.286 3.421
65 HD2 ARG 9 HD2 ARG 9 3.786 7.803 4.843
66 HD3 ARG 9 HD3 ARG 9 3.208 6.283 4.157
67 HE ARG 9 HE ARG 9 5.345 7.440 2.621
68 HH11 ARG 9 HH11 ARG 9 4.675 5.453 5.445
69 HH12 ARG 9 HH12 ARG 9 6.224 4.683 5.415
70 HH21 ARG 9 HH21 ARG 9 7.368 6.433 2.617
71 HH22 ARG 9 HH22 ARG 9 7.757 5.239 3.808
72 H LEU 10 H LEU 10 -0.082 6.231 -0.287
73 HA LEU 10 HA LEU 10 1.416 5.086 -2.400
74 HB2 LEU 10 HB2 LEU 10 -1.617 5.178 -2.163
75 HB3 LEU 10 HB3 LEU 10 -0.689 4.074 -3.171
76 HG LEU 10 HG LEU 10 -0.814 4.110 -0.139
77 HD11 LEU 10 HD11 LEU 10 -1.785 1.900 -0.334
78 HD12 LEU 10 HD12 LEU 10 -1.705 2.003 -2.092
79 HD13 LEU 10 HD13 LEU 10 -2.751 3.101 -1.191
80 HD21 LEU 10 HD21 LEU 10 1.483 3.599 -0.784
81 HD22 LEU 10 HD22 LEU 10 0.913 2.329 -1.870
82 HD23 LEU 10 HD23 LEU 10 0.684 2.173 -0.127
83 H LYS 11 H LYS 11 -0.950 7.718 -2.363
84 HA LYS 11 HA LYS 11 -0.749 8.269 -5.194
85 HB2 LYS 11 HB2 LYS 11 -2.140 10.260 -4.702
86 HB3 LYS 11 HB3 LYS 11 -2.836 8.784 -4.042
87 HG2 LYS 11 HG2 LYS 11 -2.010 9.381 -1.797
88 HG3 LYS 11 HG3 LYS 11 -1.289 10.856 -2.440
89 HD2 LYS 11 HD2 LYS 11 -4.263 10.199 -2.395
90 HD3 LYS 11 HD3 LYS 11 -3.429 11.281 -1.278
91 HE2 LYS 11 HE2 LYS 11 -3.711 11.706 -4.279
92 HE3 LYS 11 HE3 LYS 11 -4.616 12.553 -3.023
93 HZ1 LYS 11 HZ1 LYS 11 -2.739 13.833 -3.881
94 HZ2 LYS 11 HZ2 LYS 11 -1.671 12.646 -3.335
95 HZ3 LYS 11 HZ3 LYS 11 -2.590 13.527 -2.227
96 H LYS 12 H LYS 12 0.945 9.288 -2.301
97 HA LYS 12 HA LYS 12 1.979 11.777 -3.249
98 HB2 LYS 12 HB2 LYS 12 1.810 11.456 -0.875
99 HB3 LYS 12 HB3 LYS 12 2.698 9.947 -0.938
100 HG2 LYS 12 HG2 LYS 12 4.046 11.686 0.095
101 HG3 LYS 12 HG3 LYS 12 4.779 11.149 -1.418
102 HD2 LYS 12 HD2 LYS 12 3.836 13.169 -2.557
103 HD3 LYS 12 HD3 LYS 12 3.182 13.713 -1.007
104 HE2 LYS 12 HE2 LYS 12 5.435 13.920 -0.092
105 HE3 LYS 12 HE3 LYS 12 6.133 13.237 -1.562
106 HZ1 LYS 12 HZ1 LYS 12 5.270 15.147 -2.778
107 HZ2 LYS 12 HZ2 LYS 12 6.351 15.603 -1.564
108 HZ3 LYS 12 HZ3 LYS 12 4.688 15.813 -1.337
109 H LEU 13 H LEU 13 3.425 8.481 -3.034
110 HA LEU 13 HA LEU 13 5.785 9.376 -4.510
111 HB2 LEU 13 HB2 LEU 13 6.883 7.473 -3.871
112 HB3 LEU 13 HB3 LEU 13 5.738 7.604 -2.556
113 HG LEU 13 HG LEU 13 5.524 5.668 -4.905
114 HD11 LEU 13 HD11 LEU 13 7.345 5.109 -3.385
115 HD12 LEU 13 HD12 LEU 13 6.038 3.935 -3.250
116 HD13 LEU 13 HD13 LEU 13 6.243 5.175 -2.005
117 HD21 LEU 13 HD21 LEU 13 3.681 4.614 -3.691
118 HD22 LEU 13 HD22 LEU 13 3.297 6.294 -4.059
119 HD23 LEU 13 HD23 LEU 13 3.785 5.842 -2.424
120 H GLY 14 H GLY 14 2.730 7.905 -5.085
121 HA2 GLY 14 HA2 GLY 14 1.564 7.515 -6.997
122 HA3 GLY 14 HA3 GLY 14 2.803 8.415 -7.858
123 H MET 15 H MET 15 2.065 5.223 -6.474
124 HA MET 15 HA MET 15 4.065 3.899 -8.153
125 HB2 MET 15 HB2 MET 15 3.438 1.911 -6.802
126 HB3 MET 15 HB3 MET 15 3.963 3.259 -5.817
127 HG2 MET 15 HG2 MET 15 1.342 3.715 -5.648
128 HG3 MET 15 HG3 MET 15 1.264 1.986 -5.996
129 HE1 MET 15 HE1 MET 15 3.809 0.881 -2.978
130 HE2 MET 15 HE2 MET 15 4.405 1.598 -4.474
131 HE3 MET 15 HE3 MET 15 3.168 0.341 -4.527
132 H SER 16 H SER 16 2.810 1.475 -8.709
133 HA SER 16 HA SER 16 1.088 1.977 -10.876
134 HB2 SER 16 HB2 SER 16 1.311 -0.561 -9.193
135 HB3 SER 16 HB3 SER 16 0.587 -0.458 -10.798
136 HG SER 16 HG SER 16 3.053 0.592 -10.854
137 H GLU 17 H GLU 17 -1.146 2.106 -11.050
138 HA GLU 17 HA GLU 17 -2.609 3.112 -8.858
139 HB2 GLU 17 HB2 GLU 17 -2.964 3.464 -11.423
140 HB3 GLU 17 HB3 GLU 17 -3.894 1.982 -11.373
141 HG2 GLU 17 HG2 GLU 17 -4.560 4.357 -9.611
142 HG3 GLU 17 HG3 GLU 17 -5.157 4.226 -11.262
143 H GLU 18 H GLU 18 -2.503 -0.053 -10.402
144 HA GLU 18 HA GLU 18 -4.478 -1.295 -8.766
145 HB2 GLU 18 HB2 GLU 18 -3.831 -2.114 -11.032
146 HB3 GLU 18 HB3 GLU 18 -2.254 -2.580 -10.403
147 HG2 GLU 18 HG2 GLU 18 -3.414 -4.181 -8.844
148 HG3 GLU 18 HG3 GLU 18 -4.944 -3.766 -9.617
149 H CYS 19 H CYS 19 -1.005 -0.717 -8.382
150 HA CYS 19 HA CYS 19 -0.292 -2.677 -6.500
151 HB2 CYS 19 HB2 CYS 19 1.318 -0.858 -7.523
152 HB3 CYS 19 HB3 CYS 19 0.717 0.197 -6.272
153 H ARG 20 H ARG 20 -1.613 0.577 -6.067
154 HA ARG 20 HA ARG 20 -1.868 0.821 -3.320
155 HB2 ARG 20 HB2 ARG 20 -3.994 1.642 -5.347
156 HB3 ARG 20 HB3 ARG 20 -3.702 2.375 -3.768
157 HG2 ARG 20 HG2 ARG 20 -1.807 3.539 -4.530
158 HG3 ARG 20 HG3 ARG 20 -1.589 2.477 -5.930
159 HD2 ARG 20 HD2 ARG 20 -2.579 4.779 -6.433
160 HD3 ARG 20 HD3 ARG 20 -3.459 3.374 -7.050
161 HE ARG 20 HE ARG 20 -5.108 3.645 -5.411
162 HH11 ARG 20 HH11 ARG 20 -2.825 6.326 -5.377
163 HH12 ARG 20 HH12 ARG 20 -3.899 7.367 -4.500
164 HH21 ARG 20 HH21 ARG 20 -6.470 4.995 -4.257
165 HH22 ARG 20 HH22 ARG 20 -5.979 6.606 -3.861
166 H GLN 21 H GLN 21 -4.177 -0.519 -5.669
167 HA GLN 21 HA GLN 21 -6.338 -0.993 -3.992
168 HB2 GLN 21 HB2 GLN 21 -5.576 -2.538 -6.505
169 HB3 GLN 21 HB3 GLN 21 -7.186 -2.474 -5.783
170 HG2 GLN 21 HG2 GLN 21 -7.359 -0.100 -6.300
171 HG3 GLN 21 HG3 GLN 21 -5.705 -0.084 -6.920
172 HE21 GLN 21 HE21 GLN 21 -6.219 0.523 -8.963
173 HE22 GLN 21 HE22 GLN 21 -7.111 -0.443 -10.080
174 H ARG 22 H ARG 22 -3.535 -2.934 -4.792
175 HA ARG 22 HA ARG 22 -4.244 -5.346 -3.431
176 HB2 ARG 22 HB2 ARG 22 -1.561 -4.229 -4.360
177 HB3 ARG 22 HB3 ARG 22 -1.796 -5.867 -3.765
178 HG2 ARG 22 HG2 ARG 22 -3.271 -6.386 -5.643
179 HG3 ARG 22 HG3 ARG 22 -3.173 -4.718 -6.220
180 HD2 ARG 22 HD2 ARG 22 -0.792 -4.990 -6.700
181 HD3 ARG 22 HD3 ARG 22 -0.803 -6.613 -5.999
182 HE ARG 22 HE ARG 22 -1.831 -5.797 -8.609
183 HH11 ARG 22 HH11 ARG 22 -1.671 -8.371 -6.218
184 HH12 ARG 22 HH12 ARG 22 -2.082 -9.613 -7.350
185 HH21 ARG 22 HH21 ARG 22 -2.321 -7.447 -10.084
186 HH22 ARG 22 HH22 ARG 22 -2.452 -9.091 -9.546
187 H LEU 23 H LEU 23 -2.316 -2.448 -2.573
188 HA LEU 23 HA LEU 23 -1.179 -3.549 -0.201
189 HB2 LEU 23 HB2 LEU 23 -1.408 -0.675 -1.132
190 HB3 LEU 23 HB3 LEU 23 -0.382 -1.224 0.170
191 HG LEU 23 HG LEU 23 -0.087 -1.868 -2.770
192 HD11 LEU 23 HD11 LEU 23 0.719 0.324 -2.184
193 HD12 LEU 23 HD12 LEU 23 2.048 -0.748 -2.614
194 HD13 LEU 23 HD13 LEU 23 1.741 -0.367 -0.918
195 HD21 LEU 23 HD21 LEU 23 0.441 -3.890 -1.531
196 HD22 LEU 23 HD22 LEU 23 1.547 -2.986 -0.494
197 HD23 LEU 23 HD23 LEU 23 1.905 -3.180 -2.211
198 H GLU 24 H GLU 24 -3.599 -0.970 -0.672
199 HA GLU 24 HA GLU 24 -4.394 -0.480 1.917
200 HB2 GLU 24 HB2 GLU 24 -6.125 -0.515 -0.597
201 HB3 GLU 24 HB3 GLU 24 -6.584 0.252 0.924
202 HG2 GLU 24 HG2 GLU 24 -4.771 1.872 0.704
203 HG3 GLU 24 HG3 GLU 24 -4.174 1.053 -0.742
204 H LYS 25 H LYS 25 -5.355 -3.080 -0.264
205 HA LYS 25 HA LYS 25 -7.531 -4.100 1.261
206 HB2 LYS 25 HB2 LYS 25 -7.107 -4.368 -1.224
207 HB3 LYS 25 HB3 LYS 25 -5.861 -5.546 -0.828
208 HG2 LYS 25 HG2 LYS 25 -7.564 -7.000 0.205
209 HG3 LYS 25 HG3 LYS 25 -8.810 -5.798 -0.141
210 HD2 LYS 25 HD2 LYS 25 -8.904 -7.561 -1.818
211 HD3 LYS 25 HD3 LYS 25 -8.368 -6.063 -2.580
212 HE2 LYS 25 HE2 LYS 25 -7.048 -7.969 -3.406
213 HE3 LYS 25 HE3 LYS 25 -6.014 -6.873 -2.489
214 HZ1 LYS 25 HZ1 LYS 25 -5.647 -9.218 -1.959
215 HZ2 LYS 25 HZ2 LYS 25 -7.232 -9.342 -1.405
216 HZ3 LYS 25 HZ3 LYS 25 -6.144 -8.333 -0.609
217 H MET 26 H MET 26 -4.107 -5.140 0.867
218 HA MET 26 HA MET 26 -4.169 -7.354 2.632
219 HB2 MET 26 HB2 MET 26 -1.796 -5.618 1.823
220 HB3 MET 26 HB3 MET 26 -1.662 -7.146 2.686
221 HG2 MET 26 HG2 MET 26 -2.807 -8.229 0.698
222 HG3 MET 26 HG3 MET 26 -2.605 -6.700 -0.144
223 HE1 MET 26 HE1 MET 26 -0.769 -9.809 1.443
224 HE2 MET 26 HE2 MET 26 -0.106 -8.485 2.408
225 HE3 MET 26 HE3 MET 26 0.923 -9.341 1.263
226 H CYS 27 H CYS 27 -3.700 -3.931 3.133
227 HA CYS 27 HA CYS 27 -2.674 -3.914 5.757
228 HB2 CYS 27 HB2 CYS 27 -2.591 -1.953 4.272
229 HB3 CYS 27 HB3 CYS 27 -4.346 -1.835 4.297
230 H LYS 28 H LYS 28 -5.974 -4.083 4.488
231 HA LYS 28 HA LYS 28 -7.275 -3.712 7.069
232 HB2 LYS 28 HB2 LYS 28 -8.434 -4.553 4.384
233 HB3 LYS 28 HB3 LYS 28 -9.363 -4.018 5.786
234 HG2 LYS 28 HG2 LYS 28 -8.535 -1.777 5.582
235 HG3 LYS 28 HG3 LYS 28 -7.321 -2.265 4.396
236 HD2 LYS 28 HD2 LYS 28 -9.241 -2.895 2.841
237 HD3 LYS 28 HD3 LYS 28 -10.337 -2.139 4.008
238 HE2 LYS 28 HE2 LYS 28 -8.043 -0.743 2.576
239 HE3 LYS 28 HE3 LYS 28 -9.749 -0.608 2.147
240 HZ1 LYS 28 HZ1 LYS 28 -8.596 0.213 4.762
241 HZ2 LYS 28 HZ2 LYS 28 -10.194 0.428 4.252
242 HZ3 LYS 28 HZ3 LYS 28 -8.943 1.260 3.482
243 H GLU 29 H GLU 29 -6.880 -6.371 4.715
244 HA GLU 29 HA GLU 29 -8.208 -8.429 6.096
245 HB2 GLU 29 HB2 GLU 29 -5.875 -8.640 4.145
246 HB3 GLU 29 HB3 GLU 29 -6.908 -9.982 4.636
247 HG2 GLU 29 HG2 GLU 29 -8.837 -8.914 3.568
248 HG3 GLU 29 HG3 GLU 29 -7.849 -7.522 3.125
249 H GLY 30 H GLY 30 -4.703 -7.963 5.721
250 HA2 GLY 30 HA2 GLY 30 -4.138 -9.388 8.228
251 HA3 GLY 30 HA3 GLY 30 -2.972 -8.899 7.002
252 H THR 31 H THR 31 -1.640 -7.402 7.758
253 HA THR 31 HA THR 31 -2.707 -5.161 9.386
254 HB THR 31 HB THR 31 -0.571 -5.029 10.582
255 HG1 THR 31 HG1 THR 31 0.186 -7.088 8.798
256 HG21 THR 31 HG21 THR 31 -1.577 -7.901 10.621
257 HG22 THR 31 HG22 THR 31 -2.239 -6.569 11.572
258 HG23 THR 31 HG23 THR 31 -0.597 -7.139 11.875
259 H SER 32 H SER 32 -1.282 -3.215 9.196
260 HA SER 32 HA SER 32 -0.891 -2.449 6.503
261 HB2 SER 32 HB2 SER 32 0.112 -0.359 7.511
262 HB3 SER 32 HB3 SER 32 -1.477 -0.771 8.160
263 HG SER 32 HG SER 32 -0.425 -1.692 9.956
264 H GLU 33 H GLU 33 1.215 -3.919 8.878
265 HA GLU 33 HA GLU 33 3.747 -3.371 7.759
266 HB2 GLU 33 HB2 GLU 33 2.813 -5.708 9.471
267 HB3 GLU 33 HB3 GLU 33 4.504 -5.405 9.054
268 HG2 GLU 33 HG2 GLU 33 4.397 -3.218 10.178
269 HG3 GLU 33 HG3 GLU 33 2.709 -3.509 10.591
270 H ASP 34 H ASP 34 1.269 -5.676 6.828
271 HA ASP 34 HA ASP 34 2.846 -7.197 4.971
272 HB2 ASP 34 HB2 ASP 34 -0.165 -6.663 5.068
273 HB3 ASP 34 HB3 ASP 34 0.596 -7.750 3.909
274 H ALA 35 H ALA 35 0.730 -4.361 4.710
275 HA ALA 35 HA ALA 35 0.714 -4.111 1.896
276 HB1 ALA 35 HB1 ALA 35 0.126 -2.053 4.045
277 HB2 ALA 35 HB2 ALA 35 -1.027 -3.198 3.356
278 HB3 ALA 35 HB3 ALA 35 -0.342 -1.923 2.346
279 H GLU 36 H GLU 36 2.607 -2.369 4.383
280 HA GLU 36 HA GLU 36 3.951 -0.626 2.568
281 HB2 GLU 36 HB2 GLU 36 5.371 -0.069 4.548
282 HB3 GLU 36 HB3 GLU 36 3.651 0.014 4.890
283 HG2 GLU 36 HG2 GLU 36 4.118 -1.224 6.724
284 HG3 GLU 36 HG3 GLU 36 4.190 -2.579 5.638
285 H ARG 37 H ARG 37 4.683 -3.783 3.957
286 HA ARG 37 HA ARG 37 7.362 -4.088 3.079
287 HB2 ARG 37 HB2 ARG 37 6.187 -5.508 4.785
288 HB3 ARG 37 HB3 ARG 37 5.224 -6.218 3.496
289 HG2 ARG 37 HG2 ARG 37 7.415 -7.033 2.468
290 HG3 ARG 37 HG3 ARG 37 8.211 -6.517 3.963
291 HD2 ARG 37 HD2 ARG 37 6.059 -8.637 3.636
292 HD3 ARG 37 HD3 ARG 37 7.728 -8.872 4.161
293 HE ARG 37 HE ARG 37 7.028 -7.410 6.149
294 HH11 ARG 37 HH11 ARG 37 4.838 -9.652 4.561
295 HH12 ARG 37 HH12 ARG 37 3.873 -9.902 5.975
296 HH21 ARG 37 HH21 ARG 37 5.743 -7.725 7.992
297 HH22 ARG 37 HH22 ARG 37 4.386 -8.806 7.933
298 H MET 38 H MET 38 4.224 -4.686 1.659
299 HA MET 38 HA MET 38 5.271 -5.881 -0.781
300 HB2 MET 38 HB2 MET 38 2.460 -5.074 0.033
301 HB3 MET 38 HB3 MET 38 2.846 -5.761 -1.540
302 HG2 MET 38 HG2 MET 38 3.297 -7.157 1.113
303 HG3 MET 38 HG3 MET 38 1.918 -7.416 0.052
304 HE1 MET 38 HE1 MET 38 6.064 -9.312 -0.346
305 HE2 MET 38 HE2 MET 38 5.235 -8.801 1.124
306 HE3 MET 38 HE3 MET 38 5.956 -7.599 0.052
307 H ALA 39 H ALA 39 4.521 -2.673 0.335
308 HA ALA 39 HA ALA 39 4.327 -1.338 -2.173
309 HB1 ALA 39 HB1 ALA 39 3.592 -0.290 -0.064
310 HB2 ALA 39 HB2 ALA 39 4.780 0.722 -0.889
311 HB3 ALA 39 HB3 ALA 39 5.261 -0.247 0.508
312 H ARG 40 H ARG 40 7.024 -1.919 0.064
313 HA ARG 40 HA ARG 40 9.054 -0.978 -1.789
314 HB2 ARG 40 HB2 ARG 40 10.661 -1.681 0.015
315 HB3 ARG 40 HB3 ARG 40 9.431 -0.547 0.564
316 HG2 ARG 40 HG2 ARG 40 8.153 -2.529 1.493
317 HG3 ARG 40 HG3 ARG 40 9.554 -3.529 1.115
318 HD2 ARG 40 HD2 ARG 40 10.927 -2.361 2.697
319 HD3 ARG 40 HD3 ARG 40 9.733 -1.077 2.897
320 HE ARG 40 HE ARG 40 8.268 -2.782 3.964
321 HH11 ARG 40 HH11 ARG 40 11.757 -3.313 4.016
322 HH12 ARG 40 HH12 ARG 40 11.690 -4.317 5.430
323 HH21 ARG 40 HH21 ARG 40 8.217 -4.099 5.794
324 HH22 ARG 40 HH22 ARG 40 9.687 -4.762 6.435
325 H ASN 41 H ASN 41 7.239 -3.734 -1.749
326 HA ASN 41 HA ASN 41 9.286 -5.246 -3.282
327 HB2 ASN 41 HB2 ASN 41 7.060 -6.249 -1.480
328 HB3 ASN 41 HB3 ASN 41 7.632 -7.260 -2.799
329 HD21 ASN 41 HD21 ASN 41 9.577 -5.169 -0.650
330 HD22 ASN 41 HD22 ASN 41 10.494 -6.455 0.023
331 H CYS 42 H CYS 42 7.126 -3.090 -3.946
332 HA CYS 42 HA CYS 42 5.443 -4.569 -5.867
333 HB2 CYS 42 HB2 CYS 42 4.436 -2.833 -4.329
334 HB3 CYS 42 HB3 CYS 42 5.385 -1.606 -5.152
335 H GLU 43 H GLU 43 6.782 -1.305 -6.290
336 HA GLU 43 HA GLU 43 8.756 -2.052 -8.261
337 HB2 GLU 43 HB2 GLU 43 7.571 -0.307 -9.935
338 HB3 GLU 43 HB3 GLU 43 7.150 -2.007 -9.943
339 HG2 GLU 43 HG2 GLU 43 5.135 -0.663 -10.099
340 HG3 GLU 43 HG3 GLU 43 5.151 -1.552 -8.583
341 H SER 44 H SER 44 7.897 -0.334 -5.712
342 HA SER 44 HA SER 44 9.144 2.233 -6.343
343 HB2 SER 44 HB2 SER 44 7.783 1.191 -3.817
344 HB3 SER 44 HB3 SER 44 8.395 2.835 -4.027
345 HG SER 44 HG SER 44 6.326 1.567 -5.512
Start of MODEL 6
1 H1 ALA 1 H1 ALA 1 -3.562 9.412 11.919
2 H2 ALA 1 H2 ALA 1 -2.710 8.264 11.016
3 H3 ALA 1 H3 ALA 1 -3.288 7.871 12.556
4 HA ALA 1 HA ALA 1 -5.546 8.060 11.823
5 HB1 ALA 1 HB1 ALA 1 -6.056 8.483 9.445
6 HB2 ALA 1 HB2 ALA 1 -4.336 8.683 9.109
7 HB3 ALA 1 HB3 ALA 1 -5.169 9.834 10.156
8 HA PRO 2 HA PRO 2 -4.901 3.667 11.369
9 HB2 PRO 2 HB2 PRO 2 -7.454 2.793 10.768
10 HB3 PRO 2 HB3 PRO 2 -6.975 3.360 12.378
11 HG2 PRO 2 HG2 PRO 2 -8.397 4.862 10.203
12 HG3 PRO 2 HG3 PRO 2 -8.758 4.788 11.945
13 HD2 PRO 2 HD2 PRO 2 -7.435 6.889 10.886
14 HD3 PRO 2 HD3 PRO 2 -7.046 6.270 12.506
15 H CYS 3 H CYS 3 -3.503 3.641 9.569
16 HA CYS 3 HA CYS 3 -2.706 2.887 7.603
17 HB2 CYS 3 HB2 CYS 3 -4.203 0.958 8.023
18 HB3 CYS 3 HB3 CYS 3 -5.484 1.754 7.118
19 H GLU 4 H GLU 4 -4.570 5.409 7.835
20 HA GLU 4 HA GLU 4 -5.421 5.932 5.116
21 HB2 GLU 4 HB2 GLU 4 -6.566 6.694 7.293
22 HB3 GLU 4 HB3 GLU 4 -5.281 7.870 7.468
23 HG2 GLU 4 HG2 GLU 4 -7.139 7.767 5.082
24 HG3 GLU 4 HG3 GLU 4 -7.480 8.708 6.528
25 H ASP 5 H ASP 5 -2.835 6.941 7.333
26 HA ASP 5 HA ASP 5 -1.398 8.690 5.640
27 HB2 ASP 5 HB2 ASP 5 -0.196 6.838 7.756
28 HB3 ASP 5 HB3 ASP 5 0.530 8.303 7.113
29 H LEU 6 H LEU 6 -1.275 5.191 6.113
30 HA LEU 6 HA LEU 6 0.921 4.548 4.461
31 HB2 LEU 6 HB2 LEU 6 -0.122 3.048 6.153
32 HB3 LEU 6 HB3 LEU 6 -1.541 2.871 5.140
33 HG LEU 6 HG LEU 6 1.189 1.992 4.117
34 HD11 LEU 6 HD11 LEU 6 0.902 0.924 6.304
35 HD12 LEU 6 HD12 LEU 6 0.818 -0.250 4.999
36 HD13 LEU 6 HD13 LEU 6 -0.663 0.282 5.803
37 HD21 LEU 6 HD21 LEU 6 -1.612 0.981 3.475
38 HD22 LEU 6 HD22 LEU 6 -0.104 0.379 2.778
39 HD23 LEU 6 HD23 LEU 6 -0.625 2.028 2.452
40 H LYS 7 H LYS 7 -2.574 4.514 3.821
41 HA LYS 7 HA LYS 7 -2.716 3.947 1.118
42 HB2 LYS 7 HB2 LYS 7 -4.685 4.123 2.534
43 HB3 LYS 7 HB3 LYS 7 -4.371 5.823 2.844
44 HG2 LYS 7 HG2 LYS 7 -4.751 6.200 0.329
45 HG3 LYS 7 HG3 LYS 7 -5.364 4.546 0.287
46 HD2 LYS 7 HD2 LYS 7 -7.221 6.134 0.505
47 HD3 LYS 7 HD3 LYS 7 -7.098 5.147 1.963
48 HE2 LYS 7 HE2 LYS 7 -6.026 6.960 3.163
49 HE3 LYS 7 HE3 LYS 7 -5.933 7.936 1.699
50 HZ1 LYS 7 HZ1 LYS 7 -7.747 8.619 3.149
51 HZ2 LYS 7 HZ2 LYS 7 -8.454 7.085 3.022
52 HZ3 LYS 7 HZ3 LYS 7 -8.328 8.073 1.656
53 H GLU 8 H GLU 8 -2.169 7.090 2.672
54 HA GLU 8 HA GLU 8 -2.105 8.623 0.257
55 HB2 GLU 8 HB2 GLU 8 -1.284 9.275 3.104
56 HB3 GLU 8 HB3 GLU 8 -1.193 10.442 1.788
57 HG2 GLU 8 HG2 GLU 8 -3.685 9.096 2.846
58 HG3 GLU 8 HG3 GLU 8 -3.228 10.785 3.055
59 H ARG 9 H ARG 9 0.371 6.928 2.108
60 HA ARG 9 HA ARG 9 2.694 7.995 0.913
61 HB2 ARG 9 HB2 ARG 9 2.085 5.176 1.885
62 HB3 ARG 9 HB3 ARG 9 3.661 5.630 1.254
63 HG2 ARG 9 HG2 ARG 9 4.035 7.166 3.069
64 HG3 ARG 9 HG3 ARG 9 2.381 6.955 3.659
65 HD2 ARG 9 HD2 ARG 9 2.800 4.755 4.417
66 HD3 ARG 9 HD3 ARG 9 4.256 4.587 3.432
67 HE ARG 9 HE ARG 9 4.867 6.613 5.131
68 HH11 ARG 9 HH11 ARG 9 3.840 3.271 5.613
69 HH12 ARG 9 HH12 ARG 9 4.665 3.109 7.129
70 HH21 ARG 9 HH21 ARG 9 5.980 6.356 7.126
71 HH22 ARG 9 HH22 ARG 9 5.871 4.849 7.979
72 H LEU 10 H LEU 10 0.496 5.410 -0.058
73 HA LEU 10 HA LEU 10 1.917 4.344 -2.237
74 HB2 LEU 10 HB2 LEU 10 -1.119 4.334 -2.003
75 HB3 LEU 10 HB3 LEU 10 -0.096 3.132 -2.773
76 HG LEU 10 HG LEU 10 -0.366 3.628 0.208
77 HD11 LEU 10 HD11 LEU 10 -1.292 1.273 -1.446
78 HD12 LEU 10 HD12 LEU 10 -2.317 2.526 -0.743
79 HD13 LEU 10 HD13 LEU 10 -1.424 1.429 0.307
80 HD21 LEU 10 HD21 LEU 10 1.391 1.581 -1.183
81 HD22 LEU 10 HD22 LEU 10 1.068 1.639 0.550
82 HD23 LEU 10 HD23 LEU 10 1.934 2.961 -0.226
83 H LYS 11 H LYS 11 -0.662 6.729 -2.081
84 HA LYS 11 HA LYS 11 -1.010 7.153 -4.888
85 HB2 LYS 11 HB2 LYS 11 -1.832 8.847 -2.485
86 HB3 LYS 11 HB3 LYS 11 -2.419 9.084 -4.131
87 HG2 LYS 11 HG2 LYS 11 -3.638 7.029 -4.110
88 HG3 LYS 11 HG3 LYS 11 -2.815 6.467 -2.653
89 HD2 LYS 11 HD2 LYS 11 -5.136 7.195 -2.179
90 HD3 LYS 11 HD3 LYS 11 -3.952 8.162 -1.302
91 HE2 LYS 11 HE2 LYS 11 -4.190 9.960 -2.992
92 HE3 LYS 11 HE3 LYS 11 -5.395 8.992 -3.845
93 HZ1 LYS 11 HZ1 LYS 11 -6.792 9.077 -1.882
94 HZ2 LYS 11 HZ2 LYS 11 -6.424 10.638 -2.412
95 HZ3 LYS 11 HZ3 LYS 11 -5.634 9.993 -1.061
96 H LYS 12 H LYS 12 0.720 8.917 -2.317
97 HA LYS 12 HA LYS 12 1.619 11.138 -3.844
98 HB2 LYS 12 HB2 LYS 12 1.576 11.072 -1.343
99 HB3 LYS 12 HB3 LYS 12 2.880 9.883 -1.357
100 HG2 LYS 12 HG2 LYS 12 4.342 11.598 -2.478
101 HG3 LYS 12 HG3 LYS 12 3.044 12.779 -2.284
102 HD2 LYS 12 HD2 LYS 12 3.184 12.571 0.159
103 HD3 LYS 12 HD3 LYS 12 4.400 11.298 -0.002
104 HE2 LYS 12 HE2 LYS 12 5.947 12.921 -1.059
105 HE3 LYS 12 HE3 LYS 12 4.736 14.192 -0.871
106 HZ1 LYS 12 HZ1 LYS 12 6.420 14.237 0.882
107 HZ2 LYS 12 HZ2 LYS 12 5.978 12.678 1.366
108 HZ3 LYS 12 HZ3 LYS 12 4.876 13.954 1.517
109 H LEU 13 H LEU 13 2.901 7.941 -3.242
110 HA LEU 13 HA LEU 13 5.602 8.418 -4.073
111 HB2 LEU 13 HB2 LEU 13 4.651 6.677 -2.421
112 HB3 LEU 13 HB3 LEU 13 4.190 5.720 -3.809
113 HG LEU 13 HG LEU 13 7.094 6.511 -3.368
114 HD11 LEU 13 HD11 LEU 13 5.749 4.089 -2.107
115 HD12 LEU 13 HD12 LEU 13 6.294 5.530 -1.241
116 HD13 LEU 13 HD13 LEU 13 7.471 4.489 -2.044
117 HD21 LEU 13 HD21 LEU 13 6.523 5.496 -5.547
118 HD22 LEU 13 HD22 LEU 13 5.866 4.079 -4.727
119 HD23 LEU 13 HD23 LEU 13 7.586 4.453 -4.605
120 H GLY 14 H GLY 14 2.621 7.530 -5.629
121 HA2 GLY 14 HA2 GLY 14 2.025 7.562 -7.839
122 HA3 GLY 14 HA3 GLY 14 3.655 8.082 -8.236
123 H MET 15 H MET 15 2.393 5.140 -6.684
124 HA MET 15 HA MET 15 3.827 3.387 -8.477
125 HB2 MET 15 HB2 MET 15 2.862 1.603 -7.027
126 HB3 MET 15 HB3 MET 15 3.715 2.827 -6.106
127 HG2 MET 15 HG2 MET 15 1.473 3.868 -5.582
128 HG3 MET 15 HG3 MET 15 0.726 2.470 -6.336
129 HE1 MET 15 HE1 MET 15 3.503 1.899 -2.646
130 HE2 MET 15 HE2 MET 15 3.390 3.448 -3.483
131 HE3 MET 15 HE3 MET 15 4.113 2.057 -4.293
132 H SER 16 H SER 16 2.325 1.393 -9.184
133 HA SER 16 HA SER 16 0.527 2.240 -11.175
134 HB2 SER 16 HB2 SER 16 0.628 -0.507 -9.850
135 HB3 SER 16 HB3 SER 16 0.023 -0.132 -11.466
136 HG SER 16 HG SER 16 2.144 0.487 -12.040
137 H GLU 17 H GLU 17 -1.801 2.048 -11.309
138 HA GLU 17 HA GLU 17 -3.295 2.749 -8.987
139 HB2 GLU 17 HB2 GLU 17 -4.282 1.669 -11.674
140 HB3 GLU 17 HB3 GLU 17 -5.314 2.372 -10.429
141 HG2 GLU 17 HG2 GLU 17 -3.981 4.509 -10.667
142 HG3 GLU 17 HG3 GLU 17 -3.189 3.777 -12.061
143 H GLU 18 H GLU 18 -2.668 -0.340 -10.599
144 HA GLU 18 HA GLU 18 -4.384 -1.869 -8.900
145 HB2 GLU 18 HB2 GLU 18 -3.590 -2.702 -11.116
146 HB3 GLU 18 HB3 GLU 18 -1.931 -2.722 -10.528
147 HG2 GLU 18 HG2 GLU 18 -2.652 -4.442 -8.806
148 HG3 GLU 18 HG3 GLU 18 -4.221 -4.490 -9.609
149 H CYS 19 H CYS 19 -1.107 -0.598 -8.580
150 HA CYS 19 HA CYS 19 -0.090 -2.415 -6.654
151 HB2 CYS 19 HB2 CYS 19 1.356 -0.817 -7.957
152 HB3 CYS 19 HB3 CYS 19 0.648 0.511 -7.076
153 H ARG 20 H ARG 20 -1.494 0.887 -6.302
154 HA ARG 20 HA ARG 20 -1.511 0.793 -3.469
155 HB2 ARG 20 HB2 ARG 20 -3.173 2.802 -3.679
156 HB3 ARG 20 HB3 ARG 20 -1.510 2.988 -4.168
157 HG2 ARG 20 HG2 ARG 20 -2.827 4.189 -5.711
158 HG3 ARG 20 HG3 ARG 20 -2.236 2.763 -6.551
159 HD2 ARG 20 HD2 ARG 20 -4.642 3.388 -7.021
160 HD3 ARG 20 HD3 ARG 20 -4.370 1.732 -6.502
161 HE ARG 20 HE ARG 20 -5.384 2.179 -4.458
162 HH11 ARG 20 HH11 ARG 20 -5.658 4.944 -6.633
163 HH12 ARG 20 HH12 ARG 20 -6.945 5.672 -5.725
164 HH21 ARG 20 HH21 ARG 20 -7.062 3.190 -3.273
165 HH22 ARG 20 HH22 ARG 20 -7.741 4.690 -3.839
166 H GLN 21 H GLN 21 -4.036 -0.026 -5.839
167 HA GLN 21 HA GLN 21 -6.166 -0.480 -4.024
168 HB2 GLN 21 HB2 GLN 21 -5.588 -1.467 -6.829
169 HB3 GLN 21 HB3 GLN 21 -7.000 -2.052 -5.956
170 HG2 GLN 21 HG2 GLN 21 -7.894 0.208 -5.786
171 HG3 GLN 21 HG3 GLN 21 -6.434 0.873 -6.519
172 HE21 GLN 21 HE21 GLN 21 -6.207 0.786 -8.745
173 HE22 GLN 21 HE22 GLN 21 -7.444 0.276 -9.825
174 H ARG 22 H ARG 22 -3.451 -2.486 -4.959
175 HA ARG 22 HA ARG 22 -4.339 -4.932 -3.738
176 HB2 ARG 22 HB2 ARG 22 -1.687 -3.916 -4.817
177 HB3 ARG 22 HB3 ARG 22 -1.749 -5.426 -3.922
178 HG2 ARG 22 HG2 ARG 22 -3.358 -6.340 -5.565
179 HG3 ARG 22 HG3 ARG 22 -3.274 -4.831 -6.477
180 HD2 ARG 22 HD2 ARG 22 -0.969 -5.207 -7.048
181 HD3 ARG 22 HD3 ARG 22 -0.841 -6.551 -5.907
182 HE ARG 22 HE ARG 22 -2.848 -7.163 -7.769
183 HH11 ARG 22 HH11 ARG 22 0.653 -6.778 -7.735
184 HH12 ARG 22 HH12 ARG 22 0.900 -7.887 -9.047
185 HH21 ARG 22 HH21 ARG 22 -2.499 -8.625 -9.458
186 HH22 ARG 22 HH22 ARG 22 -0.887 -8.937 -10.024
187 H LEU 23 H LEU 23 -2.316 -2.197 -2.722
188 HA LEU 23 HA LEU 23 -1.223 -3.510 -0.411
189 HB2 LEU 23 HB2 LEU 23 -1.109 -0.650 -1.398
190 HB3 LEU 23 HB3 LEU 23 -0.181 -1.253 -0.045
191 HG LEU 23 HG LEU 23 0.040 -2.321 -2.875
192 HD11 LEU 23 HD11 LEU 23 0.850 -0.036 -2.796
193 HD12 LEU 23 HD12 LEU 23 2.185 -1.165 -3.018
194 HD13 LEU 23 HD13 LEU 23 1.904 -0.432 -1.436
195 HD21 LEU 23 HD21 LEU 23 1.778 -2.888 -0.461
196 HD22 LEU 23 HD22 LEU 23 2.038 -3.490 -2.103
197 HD23 LEU 23 HD23 LEU 23 0.617 -4.001 -1.196
198 H GLU 24 H GLU 24 -3.565 -0.850 -0.881
199 HA GLU 24 HA GLU 24 -4.320 -0.329 1.756
200 HB2 GLU 24 HB2 GLU 24 -6.073 -0.406 -0.735
201 HB3 GLU 24 HB3 GLU 24 -6.550 0.338 0.788
202 HG2 GLU 24 HG2 GLU 24 -4.952 2.086 0.559
203 HG3 GLU 24 HG3 GLU 24 -4.099 1.251 -0.743
204 H LYS 25 H LYS 25 -5.316 -2.870 -0.461
205 HA LYS 25 HA LYS 25 -7.333 -4.065 1.167
206 HB2 LYS 25 HB2 LYS 25 -7.158 -4.257 -1.346
207 HB3 LYS 25 HB3 LYS 25 -5.777 -5.326 -1.127
208 HG2 LYS 25 HG2 LYS 25 -7.244 -6.929 0.091
209 HG3 LYS 25 HG3 LYS 25 -8.618 -5.856 -0.187
210 HD2 LYS 25 HD2 LYS 25 -8.624 -7.686 -1.819
211 HD3 LYS 25 HD3 LYS 25 -8.354 -6.145 -2.635
212 HE2 LYS 25 HE2 LYS 25 -6.915 -7.964 -3.505
213 HE3 LYS 25 HE3 LYS 25 -5.976 -6.625 -2.845
214 HZ1 LYS 25 HZ1 LYS 25 -5.624 -7.923 -0.827
215 HZ2 LYS 25 HZ2 LYS 25 -5.083 -8.781 -2.180
216 HZ3 LYS 25 HZ3 LYS 25 -6.548 -9.195 -1.447
217 H MET 26 H MET 26 -3.888 -4.814 0.585
218 HA MET 26 HA MET 26 -3.589 -7.087 2.239
219 HB2 MET 26 HB2 MET 26 -1.609 -4.896 1.495
220 HB3 MET 26 HB3 MET 26 -1.142 -6.310 2.422
221 HG2 MET 26 HG2 MET 26 -2.429 -6.745 -0.245
222 HG3 MET 26 HG3 MET 26 -0.766 -6.173 -0.187
223 HE1 MET 26 HE1 MET 26 -2.148 -10.316 1.378
224 HE2 MET 26 HE2 MET 26 -3.180 -9.222 0.457
225 HE3 MET 26 HE3 MET 26 -2.745 -8.833 2.122
226 H CYS 27 H CYS 27 -3.685 -3.675 2.946
227 HA CYS 27 HA CYS 27 -2.775 -3.777 5.646
228 HB2 CYS 27 HB2 CYS 27 -2.738 -1.753 4.176
229 HB3 CYS 27 HB3 CYS 27 -4.492 -1.662 4.305
230 H LYS 28 H LYS 28 -5.957 -4.120 4.124
231 HA LYS 28 HA LYS 28 -7.462 -3.887 6.595
232 HB2 LYS 28 HB2 LYS 28 -8.497 -5.042 3.966
233 HB3 LYS 28 HB3 LYS 28 -9.447 -4.383 5.292
234 HG2 LYS 28 HG2 LYS 28 -7.711 -2.866 3.340
235 HG3 LYS 28 HG3 LYS 28 -9.467 -2.830 3.454
236 HD2 LYS 28 HD2 LYS 28 -9.336 -1.651 5.598
237 HD3 LYS 28 HD3 LYS 28 -7.576 -1.800 5.609
238 HE2 LYS 28 HE2 LYS 28 -7.466 -0.391 3.558
239 HE3 LYS 28 HE3 LYS 28 -9.222 -0.201 3.609
240 HZ1 LYS 28 HZ1 LYS 28 -9.027 0.917 5.720
241 HZ2 LYS 28 HZ2 LYS 28 -8.023 1.683 4.596
242 HZ3 LYS 28 HZ3 LYS 28 -7.358 0.657 5.763
243 H GLU 29 H GLU 29 -6.538 -6.500 4.361
244 HA GLU 29 HA GLU 29 -7.847 -8.665 5.644
245 HB2 GLU 29 HB2 GLU 29 -5.473 -8.668 3.724
246 HB3 GLU 29 HB3 GLU 29 -6.429 -10.088 4.141
247 HG2 GLU 29 HG2 GLU 29 -8.364 -9.222 3.038
248 HG3 GLU 29 HG3 GLU 29 -7.628 -7.633 2.837
249 H GLY 30 H GLY 30 -4.356 -7.891 5.435
250 HA2 GLY 30 HA2 GLY 30 -3.722 -9.720 7.648
251 HA3 GLY 30 HA3 GLY 30 -2.579 -8.935 6.564
252 H THR 31 H THR 31 -1.711 -7.006 7.096
253 HA THR 31 HA THR 31 -2.645 -5.446 9.403
254 HB THR 31 HB THR 31 -0.349 -5.319 10.371
255 HG1 THR 31 HG1 THR 31 0.478 -7.432 8.680
256 HG21 THR 31 HG21 THR 31 -1.785 -7.099 11.323
257 HG22 THR 31 HG22 THR 31 -0.091 -7.584 11.320
258 HG23 THR 31 HG23 THR 31 -1.195 -8.238 10.109
259 H SER 32 H SER 32 -1.473 -3.342 9.452
260 HA SER 32 HA SER 32 -0.983 -2.092 6.954
261 HB2 SER 32 HB2 SER 32 -0.071 -0.197 8.367
262 HB3 SER 32 HB3 SER 32 -1.667 -0.741 8.869
263 HG SER 32 HG SER 32 0.803 -1.467 10.081
264 H GLU 33 H GLU 33 1.004 -3.996 9.079
265 HA GLU 33 HA GLU 33 3.585 -3.254 8.156
266 HB2 GLU 33 HB2 GLU 33 2.884 -6.036 9.178
267 HB3 GLU 33 HB3 GLU 33 4.424 -5.193 9.291
268 HG2 GLU 33 HG2 GLU 33 1.899 -4.675 10.871
269 HG3 GLU 33 HG3 GLU 33 3.453 -5.244 11.472
270 H ASP 34 H ASP 34 1.229 -5.713 7.091
271 HA ASP 34 HA ASP 34 2.732 -6.992 5.075
272 HB2 ASP 34 HB2 ASP 34 -0.273 -6.564 5.333
273 HB3 ASP 34 HB3 ASP 34 0.421 -7.467 3.991
274 H ALA 35 H ALA 35 0.637 -4.170 4.963
275 HA ALA 35 HA ALA 35 0.566 -3.818 2.162
276 HB1 ALA 35 HB1 ALA 35 -1.115 -2.889 3.653
277 HB2 ALA 35 HB2 ALA 35 -0.377 -1.612 2.685
278 HB3 ALA 35 HB3 ALA 35 0.082 -1.818 4.379
279 H GLU 36 H GLU 36 2.540 -2.127 4.678
280 HA GLU 36 HA GLU 36 4.023 -0.591 2.767
281 HB2 GLU 36 HB2 GLU 36 5.484 0.070 4.629
282 HB3 GLU 36 HB3 GLU 36 3.791 0.197 5.086
283 HG2 GLU 36 HG2 GLU 36 3.923 -1.779 6.454
284 HG3 GLU 36 HG3 GLU 36 5.519 -2.176 5.826
285 H ARG 37 H ARG 37 4.517 -3.721 4.284
286 HA ARG 37 HA ARG 37 7.173 -4.304 3.591
287 HB2 ARG 37 HB2 ARG 37 6.041 -5.811 5.084
288 HB3 ARG 37 HB3 ARG 37 4.733 -6.085 3.946
289 HG2 ARG 37 HG2 ARG 37 6.170 -8.062 4.137
290 HG3 ARG 37 HG3 ARG 37 6.224 -7.398 2.504
291 HD2 ARG 37 HD2 ARG 37 8.385 -6.268 3.103
292 HD3 ARG 37 HD3 ARG 37 8.334 -7.095 4.664
293 HE ARG 37 HE ARG 37 8.132 -9.147 2.982
294 HH11 ARG 37 HH11 ARG 37 10.390 -6.448 2.969
295 HH12 ARG 37 HH12 ARG 37 11.660 -7.366 2.222
296 HH21 ARG 37 HH21 ARG 37 9.799 -10.339 2.051
297 HH22 ARG 37 HH22 ARG 37 11.320 -9.577 1.701
298 H MET 38 H MET 38 4.158 -4.870 1.776
299 HA MET 38 HA MET 38 5.556 -5.959 -0.504
300 HB2 MET 38 HB2 MET 38 2.642 -5.165 -0.137
301 HB3 MET 38 HB3 MET 38 3.284 -5.998 -1.546
302 HG2 MET 38 HG2 MET 38 3.505 -7.202 1.212
303 HG3 MET 38 HG3 MET 38 2.049 -7.373 0.244
304 HE1 MET 38 HE1 MET 38 5.628 -8.703 0.944
305 HE2 MET 38 HE2 MET 38 6.054 -7.781 -0.499
306 HE3 MET 38 HE3 MET 38 6.060 -9.543 -0.547
307 H ALA 39 H ALA 39 4.394 -2.816 0.542
308 HA ALA 39 HA ALA 39 4.080 -1.477 -1.903
309 HB1 ALA 39 HB1 ALA 39 4.234 0.601 -0.614
310 HB2 ALA 39 HB2 ALA 39 4.903 -0.287 0.761
311 HB3 ALA 39 HB3 ALA 39 3.248 -0.594 0.233
312 H ARG 40 H ARG 40 6.938 -1.828 0.127
313 HA ARG 40 HA ARG 40 8.660 -0.103 -1.376
314 HB2 ARG 40 HB2 ARG 40 10.474 -1.109 0.056
315 HB3 ARG 40 HB3 ARG 40 9.119 -0.438 0.953
316 HG2 ARG 40 HG2 ARG 40 8.197 -2.797 1.139
317 HG3 ARG 40 HG3 ARG 40 9.726 -3.363 0.463
318 HD2 ARG 40 HD2 ARG 40 9.692 -3.505 2.932
319 HD3 ARG 40 HD3 ARG 40 10.947 -2.403 2.356
320 HE ARG 40 HE ARG 40 9.312 -0.568 2.858
321 HH11 ARG 40 HH11 ARG 40 9.135 -3.563 4.731
322 HH12 ARG 40 HH12 ARG 40 8.408 -2.776 6.096
323 HH21 ARG 40 HH21 ARG 40 8.358 0.400 4.619
324 HH22 ARG 40 HH22 ARG 40 7.963 -0.527 6.034
325 H ASN 41 H ASN 41 7.551 -3.265 -2.033
326 HA ASN 41 HA ASN 41 9.513 -3.529 -4.228
327 HB2 ASN 41 HB2 ASN 41 9.503 -6.033 -3.893
328 HB3 ASN 41 HB3 ASN 41 10.279 -5.142 -2.596
329 HD21 ASN 41 HD21 ASN 41 9.497 -5.362 -0.533
330 HD22 ASN 41 HD22 ASN 41 8.150 -6.352 -0.114
331 H CYS 42 H CYS 42 6.630 -2.601 -3.913
332 HA CYS 42 HA CYS 42 5.033 -4.526 -5.406
333 HB2 CYS 42 HB2 CYS 42 3.939 -3.158 -3.699
334 HB3 CYS 42 HB3 CYS 42 4.458 -1.682 -4.497
335 H GLU 43 H GLU 43 6.830 -1.598 -5.982
336 HA GLU 43 HA GLU 43 6.375 -1.807 -8.889
337 HB2 GLU 43 HB2 GLU 43 6.780 0.835 -8.751
338 HB3 GLU 43 HB3 GLU 43 5.181 0.142 -8.552
339 HG2 GLU 43 HG2 GLU 43 5.578 1.895 -6.916
340 HG3 GLU 43 HG3 GLU 43 5.342 0.342 -6.130
341 H SER 44 H SER 44 8.580 -1.388 -6.242
342 HA SER 44 HA SER 44 10.917 -0.848 -7.862
343 HB2 SER 44 HB2 SER 44 10.631 -1.589 -4.912
344 HB3 SER 44 HB3 SER 44 12.146 -1.114 -5.686
345 HG SER 44 HG SER 44 9.791 0.474 -5.475
Start of MODEL 7
1 H1 ALA 1 H1 ALA 1 -4.967 5.715 14.237
2 H2 ALA 1 H2 ALA 1 -4.398 4.193 13.776
3 H3 ALA 1 H3 ALA 1 -6.057 4.486 13.857
4 HA ALA 1 HA ALA 1 -5.950 6.034 12.063
5 HB1 ALA 1 HB1 ALA 1 -3.854 6.359 10.816
6 HB2 ALA 1 HB2 ALA 1 -2.994 5.352 11.985
7 HB3 ALA 1 HB3 ALA 1 -3.692 6.892 12.490
8 HA PRO 2 HA PRO 2 -6.470 1.779 10.376
9 HB2 PRO 2 HB2 PRO 2 -9.006 2.547 9.192
10 HB3 PRO 2 HB3 PRO 2 -8.744 1.556 10.634
11 HG2 PRO 2 HG2 PRO 2 -9.884 4.078 10.661
12 HG3 PRO 2 HG3 PRO 2 -9.133 3.283 12.058
13 HD2 PRO 2 HD2 PRO 2 -7.971 5.393 10.255
14 HD3 PRO 2 HD3 PRO 2 -7.790 5.182 12.013
15 H CYS 3 H CYS 3 -4.649 2.458 9.019
16 HA CYS 3 HA CYS 3 -3.610 2.364 7.041
17 HB2 CYS 3 HB2 CYS 3 -6.365 1.637 5.990
18 HB3 CYS 3 HB3 CYS 3 -4.860 1.428 5.088
19 H GLU 4 H GLU 4 -5.190 4.935 7.856
20 HA GLU 4 HA GLU 4 -5.846 6.292 5.427
21 HB2 GLU 4 HB2 GLU 4 -5.959 8.330 6.912
22 HB3 GLU 4 HB3 GLU 4 -6.939 6.978 7.468
23 HG2 GLU 4 HG2 GLU 4 -5.185 6.390 9.114
24 HG3 GLU 4 HG3 GLU 4 -4.227 7.774 8.584
25 H ASP 5 H ASP 5 -3.036 6.284 7.597
26 HA ASP 5 HA ASP 5 -1.396 8.141 6.244
27 HB2 ASP 5 HB2 ASP 5 -0.730 5.793 8.086
28 HB3 ASP 5 HB3 ASP 5 0.508 6.872 7.437
29 H LEU 6 H LEU 6 -1.642 4.598 6.092
30 HA LEU 6 HA LEU 6 0.473 4.128 4.295
31 HB2 LEU 6 HB2 LEU 6 -0.432 2.391 5.760
32 HB3 LEU 6 HB3 LEU 6 -1.974 2.451 4.938
33 HG LEU 6 HG LEU 6 0.363 1.749 3.185
34 HD11 LEU 6 HD11 LEU 6 0.472 -0.581 3.893
35 HD12 LEU 6 HD12 LEU 6 -0.626 -0.246 5.235
36 HD13 LEU 6 HD13 LEU 6 0.975 0.501 5.193
37 HD21 LEU 6 HD21 LEU 6 -2.421 0.544 3.463
38 HD22 LEU 6 HD22 LEU 6 -1.239 0.124 2.219
39 HD23 LEU 6 HD23 LEU 6 -1.925 1.747 2.268
40 H LYS 7 H LYS 7 -3.008 4.498 3.782
41 HA LYS 7 HA LYS 7 -3.257 3.912 1.089
42 HB2 LYS 7 HB2 LYS 7 -5.200 4.158 2.470
43 HB3 LYS 7 HB3 LYS 7 -4.798 5.822 2.873
44 HG2 LYS 7 HG2 LYS 7 -5.345 6.556 0.614
45 HG3 LYS 7 HG3 LYS 7 -5.587 4.885 0.095
46 HD2 LYS 7 HD2 LYS 7 -7.726 6.085 0.507
47 HD3 LYS 7 HD3 LYS 7 -7.537 4.658 1.525
48 HE2 LYS 7 HE2 LYS 7 -6.784 6.192 3.392
49 HE3 LYS 7 HE3 LYS 7 -7.182 7.563 2.350
50 HZ1 LYS 7 HZ1 LYS 7 -8.979 7.055 3.860
51 HZ2 LYS 7 HZ2 LYS 7 -9.070 5.471 3.286
52 HZ3 LYS 7 HZ3 LYS 7 -9.468 6.761 2.271
53 H GLU 8 H GLU 8 -2.689 7.139 2.557
54 HA GLU 8 HA GLU 8 -2.534 8.448 0.012
55 HB2 GLU 8 HB2 GLU 8 -1.781 9.417 2.793
56 HB3 GLU 8 HB3 GLU 8 -1.809 10.441 1.353
57 HG2 GLU 8 HG2 GLU 8 -4.170 8.988 2.584
58 HG3 GLU 8 HG3 GLU 8 -3.868 10.727 2.633
59 H ARG 9 H ARG 9 -0.163 6.995 2.168
60 HA ARG 9 HA ARG 9 2.198 7.904 0.899
61 HB2 ARG 9 HB2 ARG 9 1.628 5.319 2.400
62 HB3 ARG 9 HB3 ARG 9 3.233 5.745 1.806
63 HG2 ARG 9 HG2 ARG 9 3.305 7.700 3.250
64 HG3 ARG 9 HG3 ARG 9 1.640 7.423 3.769
65 HD2 ARG 9 HD2 ARG 9 2.366 5.225 4.734
66 HD3 ARG 9 HD3 ARG 9 4.037 5.643 4.324
67 HE ARG 9 HE ARG 9 3.299 7.762 5.780
68 HH11 ARG 9 HH11 ARG 9 2.968 4.329 6.455
69 HH12 ARG 9 HH12 ARG 9 3.052 4.538 8.173
70 HH21 ARG 9 HH21 ARG 9 3.382 8.016 8.036
71 HH22 ARG 9 HH22 ARG 9 3.285 6.622 9.066
72 H LEU 10 H LEU 10 -0.177 5.452 -0.008
73 HA LEU 10 HA LEU 10 1.405 3.949 -1.792
74 HB2 LEU 10 HB2 LEU 10 -1.595 4.405 -1.944
75 HB3 LEU 10 HB3 LEU 10 -0.707 3.121 -2.751
76 HG LEU 10 HG LEU 10 -1.087 3.423 0.248
77 HD11 LEU 10 HD11 LEU 10 -2.245 1.333 -1.600
78 HD12 LEU 10 HD12 LEU 10 -3.119 2.694 -0.892
79 HD13 LEU 10 HD13 LEU 10 -2.460 1.437 0.150
80 HD21 LEU 10 HD21 LEU 10 0.391 1.238 -1.245
81 HD22 LEU 10 HD22 LEU 10 0.026 1.244 0.483
82 HD23 LEU 10 HD23 LEU 10 1.106 2.459 -0.189
83 H LYS 11 H LYS 11 -0.736 6.777 -2.365
84 HA LYS 11 HA LYS 11 0.015 6.991 -5.157
85 HB2 LYS 11 HB2 LYS 11 -1.537 8.894 -3.361
86 HB3 LYS 11 HB3 LYS 11 -1.208 9.211 -5.056
87 HG2 LYS 11 HG2 LYS 11 -3.394 8.378 -5.065
88 HG3 LYS 11 HG3 LYS 11 -2.415 7.002 -5.561
89 HD2 LYS 11 HD2 LYS 11 -4.175 6.321 -3.991
90 HD3 LYS 11 HD3 LYS 11 -2.574 6.057 -3.287
91 HE2 LYS 11 HE2 LYS 11 -4.155 7.018 -1.650
92 HE3 LYS 11 HE3 LYS 11 -2.802 8.103 -1.951
93 HZ1 LYS 11 HZ1 LYS 11 -5.511 8.353 -3.140
94 HZ2 LYS 11 HZ2 LYS 11 -4.229 9.425 -3.380
95 HZ3 LYS 11 HZ3 LYS 11 -4.919 9.263 -1.845
96 H LYS 12 H LYS 12 1.125 8.329 -2.123
97 HA LYS 12 HA LYS 12 2.594 10.553 -3.067
98 HB2 LYS 12 HB2 LYS 12 1.843 10.164 -0.693
99 HB3 LYS 12 HB3 LYS 12 3.057 8.907 -0.536
100 HG2 LYS 12 HG2 LYS 12 3.879 11.717 -1.268
101 HG3 LYS 12 HG3 LYS 12 3.506 11.321 0.409
102 HD2 LYS 12 HD2 LYS 12 5.290 9.642 0.456
103 HD3 LYS 12 HD3 LYS 12 5.599 9.865 -1.266
104 HE2 LYS 12 HE2 LYS 12 6.327 12.183 -0.828
105 HE3 LYS 12 HE3 LYS 12 6.032 11.946 0.897
106 HZ1 LYS 12 HZ1 LYS 12 7.988 10.444 -0.754
107 HZ2 LYS 12 HZ2 LYS 12 7.694 10.196 0.892
108 HZ3 LYS 12 HZ3 LYS 12 8.348 11.659 0.363
109 H LEU 13 H LEU 13 3.409 7.143 -2.657
110 HA LEU 13 HA LEU 13 6.206 7.376 -3.209
111 HB2 LEU 13 HB2 LEU 13 4.320 4.992 -3.192
112 HB3 LEU 13 HB3 LEU 13 6.045 4.840 -3.490
113 HG LEU 13 HG LEU 13 4.817 5.910 -0.913
114 HD11 LEU 13 HD11 LEU 13 6.085 3.205 -1.417
115 HD12 LEU 13 HD12 LEU 13 4.365 3.519 -1.170
116 HD13 LEU 13 HD13 LEU 13 5.506 3.820 0.138
117 HD21 LEU 13 HD21 LEU 13 7.004 6.901 -1.330
118 HD22 LEU 13 HD22 LEU 13 7.716 5.303 -1.582
119 HD23 LEU 13 HD23 LEU 13 7.094 5.760 0.009
120 H GLY 14 H GLY 14 3.368 7.279 -5.173
121 HA2 GLY 14 HA2 GLY 14 3.048 7.524 -7.418
122 HA3 GLY 14 HA3 GLY 14 4.781 7.779 -7.601
123 H MET 15 H MET 15 3.009 5.001 -6.313
124 HA MET 15 HA MET 15 4.584 3.088 -7.781
125 HB2 MET 15 HB2 MET 15 3.299 1.406 -6.545
126 HB3 MET 15 HB3 MET 15 3.838 2.680 -5.461
127 HG2 MET 15 HG2 MET 15 1.590 3.667 -5.485
128 HG3 MET 15 HG3 MET 15 1.049 2.427 -6.611
129 HE1 MET 15 HE1 MET 15 2.608 3.044 -3.076
130 HE2 MET 15 HE2 MET 15 3.527 1.627 -3.595
131 HE3 MET 15 HE3 MET 15 2.350 1.489 -2.290
132 H SER 16 H SER 16 3.061 1.069 -8.562
133 HA SER 16 HA SER 16 1.630 1.841 -10.896
134 HB2 SER 16 HB2 SER 16 1.732 -0.834 -9.443
135 HB3 SER 16 HB3 SER 16 1.131 -0.589 -11.083
136 HG SER 16 HG SER 16 3.122 -0.487 -11.799
137 H GLU 17 H GLU 17 -0.609 1.819 -11.291
138 HA GLU 17 HA GLU 17 -2.264 2.624 -9.147
139 HB2 GLU 17 HB2 GLU 17 -2.764 2.100 -12.066
140 HB3 GLU 17 HB3 GLU 17 -4.147 2.286 -10.991
141 HG2 GLU 17 HG2 GLU 17 -3.598 4.423 -12.022
142 HG3 GLU 17 HG3 GLU 17 -3.342 4.473 -10.266
143 H GLU 18 H GLU 18 -1.638 -0.468 -10.492
144 HA GLU 18 HA GLU 18 -3.949 -1.835 -9.506
145 HB2 GLU 18 HB2 GLU 18 -2.551 -2.675 -11.408
146 HB3 GLU 18 HB3 GLU 18 -1.206 -2.920 -10.294
147 HG2 GLU 18 HG2 GLU 18 -2.626 -4.550 -9.023
148 HG3 GLU 18 HG3 GLU 18 -3.877 -4.367 -10.251
149 H CYS 19 H CYS 19 -0.827 -0.841 -8.205
150 HA CYS 19 HA CYS 19 -0.568 -2.813 -6.172
151 HB2 CYS 19 HB2 CYS 19 0.736 -0.099 -6.562
152 HB3 CYS 19 HB3 CYS 19 1.105 -1.145 -5.206
153 H ARG 20 H ARG 20 -1.703 0.623 -6.132
154 HA ARG 20 HA ARG 20 -2.166 0.670 -3.316
155 HB2 ARG 20 HB2 ARG 20 -3.961 2.465 -4.930
156 HB3 ARG 20 HB3 ARG 20 -3.065 2.799 -3.460
157 HG2 ARG 20 HG2 ARG 20 -1.929 4.128 -4.965
158 HG3 ARG 20 HG3 ARG 20 -0.973 2.660 -5.083
159 HD2 ARG 20 HD2 ARG 20 -1.464 3.605 -7.276
160 HD3 ARG 20 HD3 ARG 20 -2.196 2.007 -7.051
161 HE ARG 20 HE ARG 20 -4.326 3.022 -6.817
162 HH11 ARG 20 HH11 ARG 20 -1.888 5.321 -7.896
163 HH12 ARG 20 HH12 ARG 20 -3.060 6.430 -8.523
164 HH21 ARG 20 HH21 ARG 20 -5.822 4.493 -7.633
165 HH22 ARG 20 HH22 ARG 20 -5.277 5.964 -8.371
166 H GLN 21 H GLN 21 -4.220 -0.243 -6.034
167 HA GLN 21 HA GLN 21 -6.682 -0.543 -4.711
168 HB2 GLN 21 HB2 GLN 21 -5.528 -1.893 -7.188
169 HB3 GLN 21 HB3 GLN 21 -7.180 -2.194 -6.645
170 HG2 GLN 21 HG2 GLN 21 -7.727 0.178 -6.908
171 HG3 GLN 21 HG3 GLN 21 -6.072 0.537 -7.381
172 HE21 GLN 21 HE21 GLN 21 -5.412 0.049 -9.487
173 HE22 GLN 21 HE22 GLN 21 -6.515 -0.378 -10.733
174 H ARG 22 H ARG 22 -3.921 -2.734 -5.035
175 HA ARG 22 HA ARG 22 -5.181 -4.936 -3.624
176 HB2 ARG 22 HB2 ARG 22 -2.429 -4.436 -4.757
177 HB3 ARG 22 HB3 ARG 22 -2.571 -5.647 -3.497
178 HG2 ARG 22 HG2 ARG 22 -2.692 -6.810 -5.564
179 HG3 ARG 22 HG3 ARG 22 -4.316 -6.800 -4.885
180 HD2 ARG 22 HD2 ARG 22 -4.902 -4.913 -6.418
181 HD3 ARG 22 HD3 ARG 22 -3.290 -5.030 -7.128
182 HE ARG 22 HE ARG 22 -5.554 -6.691 -7.686
183 HH11 ARG 22 HH11 ARG 22 -2.027 -6.774 -7.607
184 HH12 ARG 22 HH12 ARG 22 -1.927 -8.071 -8.752
185 HH21 ARG 22 HH21 ARG 22 -5.381 -8.341 -9.206
186 HH22 ARG 22 HH22 ARG 22 -3.822 -8.961 -9.661
187 H LEU 23 H LEU 23 -2.947 -2.285 -2.749
188 HA LEU 23 HA LEU 23 -2.055 -3.547 -0.341
189 HB2 LEU 23 HB2 LEU 23 -1.595 -0.758 -1.419
190 HB3 LEU 23 HB3 LEU 23 -0.777 -1.426 -0.022
191 HG LEU 23 HG LEU 23 -0.559 -2.410 -2.878
192 HD11 LEU 23 HD11 LEU 23 1.545 -1.157 -1.135
193 HD12 LEU 23 HD12 LEU 23 0.712 -0.393 -2.493
194 HD13 LEU 23 HD13 LEU 23 1.765 -1.778 -2.776
195 HD21 LEU 23 HD21 LEU 23 -0.541 -4.326 -1.382
196 HD22 LEU 23 HD22 LEU 23 0.753 -3.585 -0.423
197 HD23 LEU 23 HD23 LEU 23 1.043 -4.059 -2.101
198 H GLU 24 H GLU 24 -4.381 -1.052 -1.100
199 HA GLU 24 HA GLU 24 -4.945 -0.154 1.515
200 HB2 GLU 24 HB2 GLU 24 -5.953 0.323 -1.149
201 HB3 GLU 24 HB3 GLU 24 -7.345 -0.058 -0.149
202 HG2 GLU 24 HG2 GLU 24 -5.299 2.061 0.580
203 HG3 GLU 24 HG3 GLU 24 -6.745 2.399 -0.372
204 H LYS 25 H LYS 25 -6.008 -2.912 -0.365
205 HA LYS 25 HA LYS 25 -8.025 -3.845 1.472
206 HB2 LYS 25 HB2 LYS 25 -8.341 -4.456 -0.811
207 HB3 LYS 25 HB3 LYS 25 -6.689 -5.025 -0.980
208 HG2 LYS 25 HG2 LYS 25 -7.156 -7.024 0.296
209 HG3 LYS 25 HG3 LYS 25 -8.747 -6.421 0.766
210 HD2 LYS 25 HD2 LYS 25 -7.940 -7.031 -2.107
211 HD3 LYS 25 HD3 LYS 25 -8.755 -8.185 -1.048
212 HE2 LYS 25 HE2 LYS 25 -9.886 -5.481 -1.879
213 HE3 LYS 25 HE3 LYS 25 -10.332 -7.039 -2.577
214 HZ1 LYS 25 HZ1 LYS 25 -10.678 -6.334 0.285
215 HZ2 LYS 25 HZ2 LYS 25 -11.226 -7.730 -0.484
216 HZ3 LYS 25 HZ3 LYS 25 -11.896 -6.233 -0.880
217 H MET 26 H MET 26 -4.623 -4.639 0.794
218 HA MET 26 HA MET 26 -4.372 -6.895 2.489
219 HB2 MET 26 HB2 MET 26 -2.258 -4.961 1.449
220 HB3 MET 26 HB3 MET 26 -1.888 -6.463 2.293
221 HG2 MET 26 HG2 MET 26 -3.324 -6.223 -0.363
222 HG3 MET 26 HG3 MET 26 -1.650 -6.729 -0.128
223 HE1 MET 26 HE1 MET 26 -1.903 -8.615 2.474
224 HE2 MET 26 HE2 MET 26 -0.975 -9.070 1.045
225 HE3 MET 26 HE3 MET 26 -2.162 -10.186 1.718
226 H CYS 27 H CYS 27 -4.122 -3.458 3.048
227 HA CYS 27 HA CYS 27 -2.765 -3.542 5.554
228 HB2 CYS 27 HB2 CYS 27 -2.681 -1.565 4.090
229 HB3 CYS 27 HB3 CYS 27 -4.417 -1.332 4.282
230 H LYS 28 H LYS 28 -6.207 -3.323 4.586
231 HA LYS 28 HA LYS 28 -7.247 -2.996 7.251
232 HB2 LYS 28 HB2 LYS 28 -8.747 -4.114 4.835
233 HB3 LYS 28 HB3 LYS 28 -9.453 -3.393 6.283
234 HG2 LYS 28 HG2 LYS 28 -8.523 -1.196 5.633
235 HG3 LYS 28 HG3 LYS 28 -7.814 -1.931 4.191
236 HD2 LYS 28 HD2 LYS 28 -10.252 -2.670 3.621
237 HD3 LYS 28 HD3 LYS 28 -10.744 -1.497 4.846
238 HE2 LYS 28 HE2 LYS 28 -9.212 -0.934 2.286
239 HE3 LYS 28 HE3 LYS 28 -10.877 -0.477 2.654
240 HZ1 LYS 28 HZ1 LYS 28 -9.537 1.418 2.953
241 HZ2 LYS 28 HZ2 LYS 28 -8.394 0.586 3.870
242 HZ3 LYS 28 HZ3 LYS 28 -9.931 0.885 4.509
243 H GLU 29 H GLU 29 -7.150 -5.698 4.955
244 HA GLU 29 HA GLU 29 -8.217 -7.617 6.859
245 HB2 GLU 29 HB2 GLU 29 -7.472 -7.909 3.914
246 HB3 GLU 29 HB3 GLU 29 -8.303 -9.131 4.881
247 HG2 GLU 29 HG2 GLU 29 -10.171 -7.527 5.247
248 HG3 GLU 29 HG3 GLU 29 -9.359 -6.368 4.194
249 H GLY 30 H GLY 30 -5.299 -6.465 6.793
250 HA2 GLY 30 HA2 GLY 30 -4.157 -8.890 7.922
251 HA3 GLY 30 HA3 GLY 30 -3.307 -8.230 6.526
252 H THR 31 H THR 31 -1.594 -7.124 7.172
253 HA THR 31 HA THR 31 -1.799 -5.282 9.481
254 HB THR 31 HB THR 31 0.678 -5.744 9.863
255 HG1 THR 31 HG1 THR 31 0.254 -8.120 8.360
256 HG21 THR 31 HG21 THR 31 -1.010 -6.777 11.341
257 HG22 THR 31 HG22 THR 31 0.345 -7.878 11.076
258 HG23 THR 31 HG23 THR 31 -1.176 -8.128 10.217
259 H SER 32 H SER 32 -0.771 -3.329 9.266
260 HA SER 32 HA SER 32 -0.588 -2.263 6.628
261 HB2 SER 32 HB2 SER 32 0.220 -0.937 9.250
262 HB3 SER 32 HB3 SER 32 -0.248 -0.136 7.739
263 HG SER 32 HG SER 32 -2.279 -1.551 8.168
264 H GLU 33 H GLU 33 1.780 -3.330 9.049
265 HA GLU 33 HA GLU 33 4.129 -2.226 7.895
266 HB2 GLU 33 HB2 GLU 33 3.786 -4.672 9.684
267 HB3 GLU 33 HB3 GLU 33 5.347 -3.959 9.267
268 HG2 GLU 33 HG2 GLU 33 4.687 -1.853 10.379
269 HG3 GLU 33 HG3 GLU 33 3.122 -2.556 10.798
270 H ASP 34 H ASP 34 2.372 -5.234 7.303
271 HA ASP 34 HA ASP 34 4.245 -6.401 5.466
272 HB2 ASP 34 HB2 ASP 34 2.701 -7.908 6.533
273 HB3 ASP 34 HB3 ASP 34 1.313 -6.934 6.065
274 H ALA 35 H ALA 35 1.194 -4.586 5.119
275 HA ALA 35 HA ALA 35 0.974 -4.763 2.319
276 HB1 ALA 35 HB1 ALA 35 -0.174 -2.650 4.164
277 HB2 ALA 35 HB2 ALA 35 -0.913 -4.211 3.796
278 HB3 ALA 35 HB3 ALA 35 -0.725 -3.006 2.521
279 H GLU 36 H GLU 36 2.620 -2.363 4.365
280 HA GLU 36 HA GLU 36 3.307 -0.626 2.169
281 HB2 GLU 36 HB2 GLU 36 4.619 0.660 3.729
282 HB3 GLU 36 HB3 GLU 36 3.123 0.213 4.541
283 HG2 GLU 36 HG2 GLU 36 4.274 -1.514 5.809
284 HG3 GLU 36 HG3 GLU 36 5.773 -1.219 4.927
285 H ARG 37 H ARG 37 4.832 -3.403 3.789
286 HA ARG 37 HA ARG 37 7.379 -3.208 2.527
287 HB2 ARG 37 HB2 ARG 37 7.088 -4.622 4.476
288 HB3 ARG 37 HB3 ARG 37 5.909 -5.621 3.645
289 HG2 ARG 37 HG2 ARG 37 7.520 -6.790 2.443
290 HG3 ARG 37 HG3 ARG 37 8.658 -5.443 2.444
291 HD2 ARG 37 HD2 ARG 37 7.998 -7.132 4.875
292 HD3 ARG 37 HD3 ARG 37 9.398 -7.385 3.826
293 HE ARG 37 HE ARG 37 8.934 -5.094 5.626
294 HH11 ARG 37 HH11 ARG 37 11.152 -6.847 3.519
295 HH12 ARG 37 HH12 ARG 37 12.533 -5.944 4.042
296 HH21 ARG 37 HH21 ARG 37 10.749 -3.913 6.240
297 HH22 ARG 37 HH22 ARG 37 12.303 -4.286 5.577
298 H MET 38 H MET 38 4.276 -4.501 1.513
299 HA MET 38 HA MET 38 5.139 -5.698 -0.932
300 HB2 MET 38 HB2 MET 38 2.417 -4.577 -0.202
301 HB3 MET 38 HB3 MET 38 2.754 -5.636 -1.564
302 HG2 MET 38 HG2 MET 38 3.010 -6.382 1.358
303 HG3 MET 38 HG3 MET 38 1.672 -6.805 0.297
304 HE1 MET 38 HE1 MET 38 5.640 -9.004 0.680
305 HE2 MET 38 HE2 MET 38 4.793 -8.036 1.891
306 HE3 MET 38 HE3 MET 38 5.692 -7.245 0.594
307 H ALA 39 H ALA 39 4.066 -2.432 -0.016
308 HA ALA 39 HA ALA 39 4.206 -1.175 -2.551
309 HB1 ALA 39 HB1 ALA 39 4.423 0.931 -1.294
310 HB2 ALA 39 HB2 ALA 39 4.757 0.029 0.187
311 HB3 ALA 39 HB3 ALA 39 3.177 -0.101 -0.587
312 H ARG 40 H ARG 40 6.644 -1.884 -0.095
313 HA ARG 40 HA ARG 40 8.823 -0.508 -1.306
314 HB2 ARG 40 HB2 ARG 40 8.787 -2.720 0.789
315 HB3 ARG 40 HB3 ARG 40 10.227 -1.809 0.331
316 HG2 ARG 40 HG2 ARG 40 9.242 0.260 1.172
317 HG3 ARG 40 HG3 ARG 40 7.727 -0.568 1.533
318 HD2 ARG 40 HD2 ARG 40 8.946 -2.000 3.184
319 HD3 ARG 40 HD3 ARG 40 10.419 -1.082 2.845
320 HE ARG 40 HE ARG 40 8.051 0.376 3.791
321 HH11 ARG 40 HH11 ARG 40 11.264 -0.854 4.529
322 HH12 ARG 40 HH12 ARG 40 11.438 0.123 5.950
323 HH21 ARG 40 HH21 ARG 40 8.282 1.615 5.673
324 HH22 ARG 40 HH22 ARG 40 9.747 1.523 6.599
325 H ASN 41 H ASN 41 7.248 -3.336 -2.325
326 HA ASN 41 HA ASN 41 9.506 -3.798 -4.197
327 HB2 ASN 41 HB2 ASN 41 9.043 -6.177 -4.340
328 HB3 ASN 41 HB3 ASN 41 9.344 -5.757 -2.666
329 HD21 ASN 41 HD21 ASN 41 7.679 -6.011 -1.166
330 HD22 ASN 41 HD22 ASN 41 6.219 -6.855 -1.536
331 H CYS 42 H CYS 42 6.831 -2.226 -4.123
332 HA CYS 42 HA CYS 42 5.781 -3.081 -6.735
333 HB2 CYS 42 HB2 CYS 42 4.029 -2.429 -5.165
334 HB3 CYS 42 HB3 CYS 42 4.839 -0.898 -4.848
335 H GLU 43 H GLU 43 6.834 0.077 -5.289
336 HA GLU 43 HA GLU 43 7.786 0.862 -7.982
337 HB2 GLU 43 HB2 GLU 43 7.472 3.145 -7.430
338 HB3 GLU 43 HB3 GLU 43 6.049 2.317 -6.816
339 HG2 GLU 43 HG2 GLU 43 8.398 3.319 -5.172
340 HG3 GLU 43 HG3 GLU 43 6.821 4.093 -5.297
341 H SER 44 H SER 44 8.855 0.592 -4.597
342 HA SER 44 HA SER 44 11.460 1.715 -4.987
343 HB2 SER 44 HB2 SER 44 10.417 -0.180 -2.841
344 HB3 SER 44 HB3 SER 44 12.007 0.582 -2.802
345 HG SER 44 HG SER 44 9.727 2.169 -3.149
Start of MODEL 8
1 H1 ALA 1 H1 ALA 1 -3.044 6.231 11.001
2 H2 ALA 1 H2 ALA 1 -3.687 5.517 12.392
3 H3 ALA 1 H3 ALA 1 -3.642 7.202 12.247
4 HA ALA 1 HA ALA 1 -5.862 6.324 11.884
5 HB1 ALA 1 HB1 ALA 1 -6.294 7.559 9.780
6 HB2 ALA 1 HB2 ALA 1 -4.563 7.559 9.427
7 HB3 ALA 1 HB3 ALA 1 -5.179 8.436 10.828
8 HA PRO 2 HA PRO 2 -6.028 2.205 10.325
9 HB2 PRO 2 HB2 PRO 2 -8.652 2.061 9.348
10 HB3 PRO 2 HB3 PRO 2 -8.206 1.959 11.065
11 HG2 PRO 2 HG2 PRO 2 -9.170 4.346 9.510
12 HG3 PRO 2 HG3 PRO 2 -9.646 3.801 11.137
13 HD2 PRO 2 HD2 PRO 2 -7.908 5.816 10.840
14 HD3 PRO 2 HD3 PRO 2 -7.671 4.615 12.133
15 H CYS 3 H CYS 3 -4.552 2.254 8.675
16 HA CYS 3 HA CYS 3 -3.684 1.865 6.656
17 HB2 CYS 3 HB2 CYS 3 -6.568 1.501 5.799
18 HB3 CYS 3 HB3 CYS 3 -5.166 1.037 4.832
19 H GLU 4 H GLU 4 -5.009 4.655 7.410
20 HA GLU 4 HA GLU 4 -5.480 5.862 4.836
21 HB2 GLU 4 HB2 GLU 4 -6.756 6.577 6.831
22 HB3 GLU 4 HB3 GLU 4 -5.268 7.138 7.589
23 HG2 GLU 4 HG2 GLU 4 -4.986 8.772 5.688
24 HG3 GLU 4 HG3 GLU 4 -6.561 8.262 5.081
25 H ASP 5 H ASP 5 -2.960 6.150 7.394
26 HA ASP 5 HA ASP 5 -1.242 7.967 6.111
27 HB2 ASP 5 HB2 ASP 5 -0.399 5.617 7.875
28 HB3 ASP 5 HB3 ASP 5 0.569 7.048 7.530
29 H LEU 6 H LEU 6 -1.485 4.447 5.871
30 HA LEU 6 HA LEU 6 0.660 3.944 4.112
31 HB2 LEU 6 HB2 LEU 6 -0.706 2.317 5.561
32 HB3 LEU 6 HB3 LEU 6 -1.920 2.345 4.299
33 HG LEU 6 HG LEU 6 0.952 1.476 3.745
34 HD11 LEU 6 HD11 LEU 6 0.243 -0.839 4.039
35 HD12 LEU 6 HD12 LEU 6 -1.352 -0.300 4.573
36 HD13 LEU 6 HD13 LEU 6 0.079 0.072 5.539
37 HD21 LEU 6 HD21 LEU 6 -0.372 1.966 1.732
38 HD22 LEU 6 HD22 LEU 6 -1.635 0.859 2.271
39 HD23 LEU 6 HD23 LEU 6 -0.034 0.240 1.849
40 H LYS 7 H LYS 7 -2.788 4.617 3.578
41 HA LYS 7 HA LYS 7 -2.813 4.507 0.750
42 HB2 LYS 7 HB2 LYS 7 -4.853 4.319 2.019
43 HB3 LYS 7 HB3 LYS 7 -4.615 5.898 2.756
44 HG2 LYS 7 HG2 LYS 7 -5.046 7.006 0.616
45 HG3 LYS 7 HG3 LYS 7 -5.159 5.442 -0.196
46 HD2 LYS 7 HD2 LYS 7 -7.383 6.469 0.285
47 HD3 LYS 7 HD3 LYS 7 -7.178 4.878 1.020
48 HE2 LYS 7 HE2 LYS 7 -8.292 6.440 2.563
49 HE3 LYS 7 HE3 LYS 7 -6.730 5.943 3.207
50 HZ1 LYS 7 HZ1 LYS 7 -5.802 8.048 2.442
51 HZ2 LYS 7 HZ2 LYS 7 -7.100 8.303 3.496
52 HZ3 LYS 7 HZ3 LYS 7 -7.310 8.512 1.836
53 H GLU 8 H GLU 8 -1.991 7.125 2.983
54 HA GLU 8 HA GLU 8 -1.856 9.208 1.043
55 HB2 GLU 8 HB2 GLU 8 -0.303 9.078 3.658
56 HB3 GLU 8 HB3 GLU 8 -0.653 10.519 2.706
57 HG2 GLU 8 HG2 GLU 8 -2.559 8.855 4.346
58 HG3 GLU 8 HG3 GLU 8 -2.104 10.534 4.595
59 H ARG 9 H ARG 9 0.440 6.851 2.338
60 HA ARG 9 HA ARG 9 2.730 7.672 0.869
61 HB2 ARG 9 HB2 ARG 9 1.994 4.912 1.939
62 HB3 ARG 9 HB3 ARG 9 3.584 5.353 1.315
63 HG2 ARG 9 HG2 ARG 9 3.902 6.945 3.142
64 HG3 ARG 9 HG3 ARG 9 2.268 6.643 3.732
65 HD2 ARG 9 HD2 ARG 9 2.913 4.251 4.130
66 HD3 ARG 9 HD3 ARG 9 4.568 4.660 3.664
67 HE ARG 9 HE ARG 9 3.788 6.413 5.706
68 HH11 ARG 9 HH11 ARG 9 4.425 2.981 5.330
69 HH12 ARG 9 HH12 ARG 9 4.916 2.761 6.977
70 HH21 ARG 9 HH21 ARG 9 4.459 6.138 7.854
71 HH22 ARG 9 HH22 ARG 9 4.936 4.565 8.419
72 H LEU 10 H LEU 10 -0.041 5.592 0.085
73 HA LEU 10 HA LEU 10 0.986 4.421 -2.280
74 HB2 LEU 10 HB2 LEU 10 -1.890 4.958 -1.445
75 HB3 LEU 10 HB3 LEU 10 -1.437 3.980 -2.830
76 HG LEU 10 HG LEU 10 -0.812 3.341 0.077
77 HD11 LEU 10 HD11 LEU 10 -2.722 1.968 -1.825
78 HD12 LEU 10 HD12 LEU 10 -3.168 2.992 -0.460
79 HD13 LEU 10 HD13 LEU 10 -2.345 1.461 -0.176
80 HD21 LEU 10 HD21 LEU 10 1.009 2.566 -1.341
81 HD22 LEU 10 HD22 LEU 10 -0.133 1.751 -2.413
82 HD23 LEU 10 HD23 LEU 10 0.073 1.196 -0.748
83 H LYS 11 H LYS 11 -0.764 7.445 -1.674
84 HA LYS 11 HA LYS 11 -0.869 8.252 -4.460
85 HB2 LYS 11 HB2 LYS 11 -1.336 9.861 -1.917
86 HB3 LYS 11 HB3 LYS 11 -1.731 10.397 -3.549
87 HG2 LYS 11 HG2 LYS 11 -3.405 8.613 -3.767
88 HG3 LYS 11 HG3 LYS 11 -2.975 7.980 -2.175
89 HD2 LYS 11 HD2 LYS 11 -4.177 10.731 -2.721
90 HD3 LYS 11 HD3 LYS 11 -5.062 9.332 -2.107
91 HE2 LYS 11 HE2 LYS 11 -3.645 9.331 -0.077
92 HE3 LYS 11 HE3 LYS 11 -2.753 10.721 -0.695
93 HZ1 LYS 11 HZ1 LYS 11 -4.421 11.382 0.912
94 HZ2 LYS 11 HZ2 LYS 11 -5.642 10.683 -0.019
95 HZ3 LYS 11 HZ3 LYS 11 -4.796 12.015 -0.613
96 H LYS 12 H LYS 12 1.171 8.922 -1.668
97 HA LYS 12 HA LYS 12 2.718 11.086 -2.613
98 HB2 LYS 12 HB2 LYS 12 2.641 10.575 -0.244
99 HB3 LYS 12 HB3 LYS 12 3.199 8.936 -0.513
100 HG2 LYS 12 HG2 LYS 12 4.954 10.248 0.515
101 HG3 LYS 12 HG3 LYS 12 5.436 9.781 -1.118
102 HD2 LYS 12 HD2 LYS 12 4.815 12.057 -1.929
103 HD3 LYS 12 HD3 LYS 12 4.372 12.512 -0.280
104 HE2 LYS 12 HE2 LYS 12 6.700 12.158 0.446
105 HE3 LYS 12 HE3 LYS 12 7.141 11.664 -1.190
106 HZ1 LYS 12 HZ1 LYS 12 6.182 14.339 -0.346
107 HZ2 LYS 12 HZ2 LYS 12 6.460 13.885 -1.948
108 HZ3 LYS 12 HZ3 LYS 12 7.745 13.935 -0.854
109 H LEU 13 H LEU 13 3.169 7.624 -2.757
110 HA LEU 13 HA LEU 13 5.762 7.756 -4.048
111 HB2 LEU 13 HB2 LEU 13 3.979 5.436 -3.215
112 HB3 LEU 13 HB3 LEU 13 5.586 5.251 -3.895
113 HG LEU 13 HG LEU 13 4.976 6.647 -1.254
114 HD11 LEU 13 HD11 LEU 13 4.526 4.269 -1.055
115 HD12 LEU 13 HD12 LEU 13 5.981 4.692 -0.156
116 HD13 LEU 13 HD13 LEU 13 6.115 3.879 -1.717
117 HD21 LEU 13 HD21 LEU 13 6.980 7.565 -2.281
118 HD22 LEU 13 HD22 LEU 13 7.645 5.945 -2.516
119 HD23 LEU 13 HD23 LEU 13 7.417 6.582 -0.885
120 H GLY 14 H GLY 14 2.393 7.358 -4.895
121 HA2 GLY 14 HA2 GLY 14 1.286 7.332 -6.889
122 HA3 GLY 14 HA3 GLY 14 2.687 8.175 -7.523
123 H MET 15 H MET 15 2.504 4.877 -6.277
124 HA MET 15 HA MET 15 4.091 3.788 -8.396
125 HB2 MET 15 HB2 MET 15 3.879 1.674 -7.175
126 HB3 MET 15 HB3 MET 15 4.169 2.976 -6.032
127 HG2 MET 15 HG2 MET 15 1.720 3.030 -5.539
128 HG3 MET 15 HG3 MET 15 1.518 1.640 -6.604
129 HE1 MET 15 HE1 MET 15 4.278 2.546 -3.858
130 HE2 MET 15 HE2 MET 15 3.634 1.589 -2.524
131 HE3 MET 15 HE3 MET 15 2.708 2.950 -3.151
132 H SER 16 H SER 16 3.039 1.301 -8.925
133 HA SER 16 HA SER 16 1.312 1.698 -11.117
134 HB2 SER 16 HB2 SER 16 1.911 -0.870 -9.571
135 HB3 SER 16 HB3 SER 16 1.285 -0.776 -11.221
136 HG SER 16 HG SER 16 3.719 -0.995 -10.680
137 H GLU 17 H GLU 17 -0.950 1.621 -11.282
138 HA GLU 17 HA GLU 17 -2.452 2.281 -9.033
139 HB2 GLU 17 HB2 GLU 17 -3.249 1.480 -11.817
140 HB3 GLU 17 HB3 GLU 17 -4.495 1.702 -10.589
141 HG2 GLU 17 HG2 GLU 17 -3.786 3.983 -10.193
142 HG3 GLU 17 HG3 GLU 17 -2.442 3.803 -11.325
143 H GLU 18 H GLU 18 -1.975 -0.880 -10.479
144 HA GLU 18 HA GLU 18 -4.078 -2.237 -9.147
145 HB2 GLU 18 HB2 GLU 18 -3.065 -3.254 -11.116
146 HB3 GLU 18 HB3 GLU 18 -1.471 -3.251 -10.370
147 HG2 GLU 18 HG2 GLU 18 -2.262 -4.922 -8.705
148 HG3 GLU 18 HG3 GLU 18 -3.843 -4.939 -9.485
149 H CYS 19 H CYS 19 -0.869 -1.257 -8.233
150 HA CYS 19 HA CYS 19 -0.418 -3.094 -6.121
151 HB2 CYS 19 HB2 CYS 19 0.838 -0.455 -6.914
152 HB3 CYS 19 HB3 CYS 19 1.351 -1.308 -5.483
153 H ARG 20 H ARG 20 -1.564 0.322 -6.244
154 HA ARG 20 HA ARG 20 -1.784 0.572 -3.395
155 HB2 ARG 20 HB2 ARG 20 -3.452 2.265 -5.292
156 HB3 ARG 20 HB3 ARG 20 -2.846 2.678 -3.694
157 HG2 ARG 20 HG2 ARG 20 -1.365 3.885 -4.964
158 HG3 ARG 20 HG3 ARG 20 -0.474 2.377 -4.915
159 HD2 ARG 20 HD2 ARG 20 -0.451 3.123 -7.154
160 HD3 ARG 20 HD3 ARG 20 -1.624 1.791 -7.063
161 HE ARG 20 HE ARG 20 -3.394 3.344 -7.190
162 HH11 ARG 20 HH11 ARG 20 -0.250 4.790 -7.857
163 HH12 ARG 20 HH12 ARG 20 -0.927 6.177 -8.645
164 HH21 ARG 20 HH21 ARG 20 -4.260 5.215 -8.166
165 HH22 ARG 20 HH22 ARG 20 -3.193 6.418 -8.818
166 H GLN 21 H GLN 21 -4.021 -0.349 -5.960
167 HA GLN 21 HA GLN 21 -6.411 -0.427 -4.468
168 HB2 GLN 21 HB2 GLN 21 -5.599 -1.992 -6.955
169 HB3 GLN 21 HB3 GLN 21 -7.249 -1.905 -6.333
170 HG2 GLN 21 HG2 GLN 21 -7.408 0.438 -6.811
171 HG3 GLN 21 HG3 GLN 21 -5.679 0.567 -7.123
172 HE21 GLN 21 HE21 GLN 21 -7.702 1.460 -8.877
173 HE22 GLN 21 HE22 GLN 21 -7.599 0.530 -10.329
174 H ARG 22 H ARG 22 -3.782 -2.707 -4.885
175 HA ARG 22 HA ARG 22 -5.026 -4.889 -3.465
176 HB2 ARG 22 HB2 ARG 22 -2.211 -4.355 -4.462
177 HB3 ARG 22 HB3 ARG 22 -2.568 -5.758 -3.460
178 HG2 ARG 22 HG2 ARG 22 -4.120 -6.621 -5.130
179 HG3 ARG 22 HG3 ARG 22 -3.922 -5.169 -6.118
180 HD2 ARG 22 HD2 ARG 22 -1.610 -5.727 -6.579
181 HD3 ARG 22 HD3 ARG 22 -1.650 -7.063 -5.424
182 HE ARG 22 HE ARG 22 -3.570 -7.328 -7.557
183 HH11 ARG 22 HH11 ARG 22 -0.217 -7.902 -6.674
184 HH12 ARG 22 HH12 ARG 22 0.004 -9.180 -7.827
185 HH21 ARG 22 HH21 ARG 22 -3.303 -9.028 -9.040
186 HH22 ARG 22 HH22 ARG 22 -1.765 -9.821 -9.185
187 H LEU 23 H LEU 23 -2.707 -2.307 -2.658
188 HA LEU 23 HA LEU 23 -1.842 -3.532 -0.213
189 HB2 LEU 23 HB2 LEU 23 -1.343 -0.766 -1.352
190 HB3 LEU 23 HB3 LEU 23 -0.503 -1.455 0.018
191 HG LEU 23 HG LEU 23 -0.421 -2.646 -2.772
192 HD11 LEU 23 HD11 LEU 23 1.641 -0.872 -1.482
193 HD12 LEU 23 HD12 LEU 23 0.611 -0.469 -2.856
194 HD13 LEU 23 HD13 LEU 23 1.827 -1.733 -3.014
195 HD21 LEU 23 HD21 LEU 23 0.044 -4.322 -1.106
196 HD22 LEU 23 HD22 LEU 23 1.256 -3.285 -0.353
197 HD23 LEU 23 HD23 LEU 23 1.521 -3.915 -1.977
198 H GLU 24 H GLU 24 -4.098 -0.971 -1.064
199 HA GLU 24 HA GLU 24 -4.754 -0.021 1.489
200 HB2 GLU 24 HB2 GLU 24 -5.822 0.216 -1.217
201 HB3 GLU 24 HB3 GLU 24 -7.163 -0.052 -0.120
202 HG2 GLU 24 HG2 GLU 24 -5.091 2.131 0.257
203 HG3 GLU 24 HG3 GLU 24 -6.608 2.360 -0.611
204 H LYS 25 H LYS 25 -5.815 -2.852 -0.340
205 HA LYS 25 HA LYS 25 -7.875 -3.660 1.527
206 HB2 LYS 25 HB2 LYS 25 -8.006 -4.195 -0.912
207 HB3 LYS 25 HB3 LYS 25 -6.601 -5.242 -0.751
208 HG2 LYS 25 HG2 LYS 25 -7.894 -6.688 0.827
209 HG3 LYS 25 HG3 LYS 25 -9.301 -5.651 0.598
210 HD2 LYS 25 HD2 LYS 25 -7.943 -7.223 -1.629
211 HD3 LYS 25 HD3 LYS 25 -9.345 -7.793 -0.727
212 HE2 LYS 25 HE2 LYS 25 -10.196 -6.918 -2.769
213 HE3 LYS 25 HE3 LYS 25 -10.573 -5.709 -1.548
214 HZ1 LYS 25 HZ1 LYS 25 -8.266 -5.561 -3.420
215 HZ2 LYS 25 HZ2 LYS 25 -8.758 -4.364 -2.331
216 HZ3 LYS 25 HZ3 LYS 25 -9.741 -4.768 -3.640
217 H MET 26 H MET 26 -4.562 -4.665 0.767
218 HA MET 26 HA MET 26 -4.370 -6.946 2.394
219 HB2 MET 26 HB2 MET 26 -2.216 -5.058 1.362
220 HB3 MET 26 HB3 MET 26 -1.859 -6.554 2.215
221 HG2 MET 26 HG2 MET 26 -2.954 -7.839 0.429
222 HG3 MET 26 HG3 MET 26 -3.325 -6.338 -0.421
223 HE1 MET 26 HE1 MET 26 0.016 -7.199 1.564
224 HE2 MET 26 HE2 MET 26 0.982 -7.872 0.253
225 HE3 MET 26 HE3 MET 26 -0.448 -8.732 0.821
226 H CYS 27 H CYS 27 -3.879 -3.537 3.030
227 HA CYS 27 HA CYS 27 -2.726 -3.733 5.594
228 HB2 CYS 27 HB2 CYS 27 -2.663 -1.645 4.366
229 HB3 CYS 27 HB3 CYS 27 -4.421 -1.561 4.322
230 H LYS 28 H LYS 28 -6.095 -3.778 4.489
231 HA LYS 28 HA LYS 28 -7.217 -3.442 7.136
232 HB2 LYS 28 HB2 LYS 28 -8.631 -4.175 4.536
233 HB3 LYS 28 HB3 LYS 28 -9.394 -3.591 6.016
234 HG2 LYS 28 HG2 LYS 28 -8.186 -1.432 5.762
235 HG3 LYS 28 HG3 LYS 28 -7.479 -2.030 4.259
236 HD2 LYS 28 HD2 LYS 28 -9.961 -2.368 3.496
237 HD3 LYS 28 HD3 LYS 28 -10.359 -1.296 4.842
238 HE2 LYS 28 HE2 LYS 28 -8.605 -0.659 2.446
239 HE3 LYS 28 HE3 LYS 28 -10.196 0.008 2.804
240 HZ1 LYS 28 HZ1 LYS 28 -7.720 0.458 4.375
241 HZ2 LYS 28 HZ2 LYS 28 -9.241 1.085 4.760
242 HZ3 LYS 28 HZ3 LYS 28 -8.458 1.569 3.340
243 H GLU 29 H GLU 29 -7.449 -6.102 4.705
244 HA GLU 29 HA GLU 29 -8.522 -7.930 6.672
245 HB2 GLU 29 HB2 GLU 29 -8.619 -9.565 4.784
246 HB3 GLU 29 HB3 GLU 29 -9.438 -8.052 4.459
247 HG2 GLU 29 HG2 GLU 29 -8.401 -8.515 2.429
248 HG3 GLU 29 HG3 GLU 29 -7.298 -7.368 3.180
249 H GLY 30 H GLY 30 -5.379 -7.119 5.547
250 HA2 GLY 30 HA2 GLY 30 -4.173 -9.409 7.016
251 HA3 GLY 30 HA3 GLY 30 -3.371 -8.451 5.778
252 H THR 31 H THR 31 -1.946 -6.989 6.539
253 HA THR 31 HA THR 31 -2.458 -5.514 9.036
254 HB THR 31 HB THR 31 -0.049 -5.785 9.745
255 HG1 THR 31 HG1 THR 31 0.022 -7.896 7.834
256 HG21 THR 31 HG21 THR 31 -1.522 -8.439 9.599
257 HG22 THR 31 HG22 THR 31 -1.766 -7.205 10.836
258 HG23 THR 31 HG23 THR 31 -0.214 -8.039 10.715
259 H SER 32 H SER 32 -1.362 -3.491 9.132
260 HA SER 32 HA SER 32 -1.090 -2.094 6.688
261 HB2 SER 32 HB2 SER 32 -0.077 -1.229 9.436
262 HB3 SER 32 HB3 SER 32 -0.457 -0.173 8.069
263 HG SER 32 HG SER 32 -2.623 -1.539 8.431
264 H GLU 33 H GLU 33 1.307 -3.260 9.036
265 HA GLU 33 HA GLU 33 3.620 -2.135 7.936
266 HB2 GLU 33 HB2 GLU 33 4.850 -3.801 9.322
267 HB3 GLU 33 HB3 GLU 33 3.590 -2.952 10.214
268 HG2 GLU 33 HG2 GLU 33 2.107 -4.894 10.031
269 HG3 GLU 33 HG3 GLU 33 3.309 -5.748 9.067
270 H ASP 34 H ASP 34 2.001 -5.194 7.187
271 HA ASP 34 HA ASP 34 4.088 -6.294 5.554
272 HB2 ASP 34 HB2 ASP 34 2.412 -7.705 6.681
273 HB3 ASP 34 HB3 ASP 34 1.125 -6.975 5.739
274 H ALA 35 H ALA 35 1.048 -4.545 4.887
275 HA ALA 35 HA ALA 35 1.134 -4.742 2.069
276 HB1 ALA 35 HB1 ALA 35 -0.248 -2.668 3.791
277 HB2 ALA 35 HB2 ALA 35 -0.911 -4.231 3.310
278 HB3 ALA 35 HB3 ALA 35 -0.592 -2.997 2.090
279 H GLU 36 H GLU 36 2.200 -2.095 4.249
280 HA GLU 36 HA GLU 36 3.172 -0.378 2.216
281 HB2 GLU 36 HB2 GLU 36 4.302 0.870 3.985
282 HB3 GLU 36 HB3 GLU 36 2.672 0.432 4.492
283 HG2 GLU 36 HG2 GLU 36 3.642 -1.475 5.788
284 HG3 GLU 36 HG3 GLU 36 5.253 -0.895 5.362
285 H ARG 37 H ARG 37 4.622 -3.136 3.856
286 HA ARG 37 HA ARG 37 7.300 -2.774 2.943
287 HB2 ARG 37 HB2 ARG 37 6.233 -4.420 4.771
288 HB3 ARG 37 HB3 ARG 37 6.152 -5.536 3.420
289 HG2 ARG 37 HG2 ARG 37 8.667 -4.226 4.517
290 HG3 ARG 37 HG3 ARG 37 8.159 -5.890 4.796
291 HD2 ARG 37 HD2 ARG 37 8.464 -6.403 2.415
292 HD3 ARG 37 HD3 ARG 37 8.889 -4.722 2.081
293 HE ARG 37 HE ARG 37 10.507 -6.647 3.644
294 HH11 ARG 37 HH11 ARG 37 10.327 -3.679 1.750
295 HH12 ARG 37 HH12 ARG 37 12.046 -3.458 1.713
296 HH21 ARG 37 HH21 ARG 37 12.751 -6.362 3.559
297 HH22 ARG 37 HH22 ARG 37 13.428 -4.983 2.747
298 H MET 38 H MET 38 4.486 -4.549 1.688
299 HA MET 38 HA MET 38 5.767 -5.583 -0.643
300 HB2 MET 38 HB2 MET 38 2.810 -5.245 -0.032
301 HB3 MET 38 HB3 MET 38 3.467 -6.186 -1.365
302 HG2 MET 38 HG2 MET 38 3.996 -6.789 1.556
303 HG3 MET 38 HG3 MET 38 2.731 -7.544 0.604
304 HE1 MET 38 HE1 MET 38 6.306 -7.786 1.852
305 HE2 MET 38 HE2 MET 38 6.761 -6.948 0.368
306 HE3 MET 38 HE3 MET 38 7.188 -8.645 0.591
307 H ALA 39 H ALA 39 4.349 -2.522 0.129
308 HA ALA 39 HA ALA 39 3.944 -1.421 -2.441
309 HB1 ALA 39 HB1 ALA 39 4.796 -0.065 0.142
310 HB2 ALA 39 HB2 ALA 39 3.137 -0.369 -0.371
311 HB3 ALA 39 HB3 ALA 39 4.150 0.753 -1.279
312 H ARG 40 H ARG 40 6.750 -1.629 -0.336
313 HA ARG 40 HA ARG 40 8.636 -0.199 -1.885
314 HB2 ARG 40 HB2 ARG 40 9.188 -2.455 0.083
315 HB3 ARG 40 HB3 ARG 40 10.281 -1.143 -0.357
316 HG2 ARG 40 HG2 ARG 40 7.695 -0.215 0.783
317 HG3 ARG 40 HG3 ARG 40 8.637 -1.208 1.890
318 HD2 ARG 40 HD2 ARG 40 9.063 1.195 2.174
319 HD3 ARG 40 HD3 ARG 40 10.510 0.298 1.726
320 HE ARG 40 HE ARG 40 9.088 1.609 -0.458
321 HH11 ARG 40 HH11 ARG 40 11.718 1.845 1.871
322 HH12 ARG 40 HH12 ARG 40 12.565 3.066 0.977
323 HH21 ARG 40 HH21 ARG 40 10.227 3.209 -1.625
324 HH22 ARG 40 HH22 ARG 40 11.716 3.838 -1.006
325 H ASN 41 H ASN 41 7.534 -3.519 -1.872
326 HA ASN 41 HA ASN 41 9.560 -4.561 -3.669
327 HB2 ASN 41 HB2 ASN 41 7.033 -5.729 -2.438
328 HB3 ASN 41 HB3 ASN 41 7.963 -6.612 -3.646
329 HD21 ASN 41 HD21 ASN 41 8.110 -5.195 -0.424
330 HD22 ASN 41 HD22 ASN 41 9.397 -6.189 0.150
331 H CYS 42 H CYS 42 6.324 -3.222 -3.961
332 HA CYS 42 HA CYS 42 5.715 -4.071 -6.607
333 HB2 CYS 42 HB2 CYS 42 3.866 -3.175 -5.374
334 HB3 CYS 42 HB3 CYS 42 4.757 -1.727 -4.918
335 H GLU 43 H GLU 43 7.012 -1.002 -5.368
336 HA GLU 43 HA GLU 43 8.854 -0.433 -7.380
337 HB2 GLU 43 HB2 GLU 43 6.787 -0.292 -8.823
338 HB3 GLU 43 HB3 GLU 43 6.157 0.969 -7.768
339 HG2 GLU 43 HG2 GLU 43 7.994 2.462 -8.408
340 HG3 GLU 43 HG3 GLU 43 8.712 1.184 -9.391
341 H SER 44 H SER 44 6.398 0.793 -5.197
342 HA SER 44 HA SER 44 6.249 2.404 -3.647
343 HB2 SER 44 HB2 SER 44 8.220 1.174 -2.673
344 HB3 SER 44 HB3 SER 44 9.296 2.269 -3.533
345 HG SER 44 HG SER 44 8.065 3.968 -2.337
Start of MODEL 9
1 H1 ALA 1 H1 ALA 1 -3.631 6.019 13.845
2 H2 ALA 1 H2 ALA 1 -5.282 5.829 14.134
3 H3 ALA 1 H3 ALA 1 -4.628 7.380 13.945
4 HA ALA 1 HA ALA 1 -5.811 6.695 11.970
5 HB1 ALA 1 HB1 ALA 1 -4.005 7.160 10.348
6 HB2 ALA 1 HB2 ALA 1 -2.801 6.857 11.607
7 HB3 ALA 1 HB3 ALA 1 -3.908 8.220 11.756
8 HA PRO 2 HA PRO 2 -5.569 2.202 11.762
9 HB2 PRO 2 HB2 PRO 2 -7.457 1.777 9.775
10 HB3 PRO 2 HB3 PRO 2 -7.857 2.151 11.465
11 HG2 PRO 2 HG2 PRO 2 -7.790 3.991 9.097
12 HG3 PRO 2 HG3 PRO 2 -8.975 3.906 10.419
13 HD2 PRO 2 HD2 PRO 2 -7.017 5.789 10.350
14 HD3 PRO 2 HD3 PRO 2 -7.635 5.131 11.880
15 H CYS 3 H CYS 3 -5.623 3.894 8.579
16 HA CYS 3 HA CYS 3 -3.217 2.460 7.720
17 HB2 CYS 3 HB2 CYS 3 -5.160 0.991 7.098
18 HB3 CYS 3 HB3 CYS 3 -5.798 2.297 6.109
19 H GLU 4 H GLU 4 -4.248 5.276 8.246
20 HA GLU 4 HA GLU 4 -4.797 6.516 5.734
21 HB2 GLU 4 HB2 GLU 4 -4.087 7.871 8.367
22 HB3 GLU 4 HB3 GLU 4 -4.902 8.609 6.987
23 HG2 GLU 4 HG2 GLU 4 -5.980 6.464 8.842
24 HG3 GLU 4 HG3 GLU 4 -6.568 8.115 8.659
25 H ASP 5 H ASP 5 -1.938 6.439 7.836
26 HA ASP 5 HA ASP 5 -0.206 8.107 6.400
27 HB2 ASP 5 HB2 ASP 5 0.494 5.600 7.995
28 HB3 ASP 5 HB3 ASP 5 1.639 6.856 7.519
29 H LEU 6 H LEU 6 -0.883 4.644 6.106
30 HA LEU 6 HA LEU 6 1.079 4.012 4.155
31 HB2 LEU 6 HB2 LEU 6 0.051 2.405 5.735
32 HB3 LEU 6 HB3 LEU 6 -1.484 2.570 4.914
33 HG LEU 6 HG LEU 6 0.881 1.572 3.299
34 HD11 LEU 6 HD11 LEU 6 -0.697 -0.172 5.205
35 HD12 LEU 6 HD12 LEU 6 1.004 0.272 5.366
36 HD13 LEU 6 HD13 LEU 6 0.484 -0.727 4.013
37 HD21 LEU 6 HD21 LEU 6 -0.850 0.222 2.151
38 HD22 LEU 6 HD22 LEU 6 -1.268 1.934 2.132
39 HD23 LEU 6 HD23 LEU 6 -2.079 0.847 3.260
40 H LYS 7 H LYS 7 -2.326 4.885 4.016
41 HA LYS 7 HA LYS 7 -2.881 4.502 1.291
42 HB2 LYS 7 HB2 LYS 7 -4.599 4.810 3.010
43 HB3 LYS 7 HB3 LYS 7 -4.037 6.449 3.323
44 HG2 LYS 7 HG2 LYS 7 -4.727 7.044 0.949
45 HG3 LYS 7 HG3 LYS 7 -5.446 5.431 0.826
46 HD2 LYS 7 HD2 LYS 7 -6.222 7.605 2.820
47 HD3 LYS 7 HD3 LYS 7 -7.165 7.090 1.421
48 HE2 LYS 7 HE2 LYS 7 -7.555 4.910 2.418
49 HE3 LYS 7 HE3 LYS 7 -6.454 5.267 3.747
50 HZ1 LYS 7 HZ1 LYS 7 -7.965 7.018 4.463
51 HZ2 LYS 7 HZ2 LYS 7 -8.705 5.507 4.449
52 HZ3 LYS 7 HZ3 LYS 7 -9.046 6.618 3.223
53 H GLU 8 H GLU 8 -1.662 7.324 3.076
54 HA GLU 8 HA GLU 8 -1.543 9.121 0.904
55 HB2 GLU 8 HB2 GLU 8 0.085 9.041 3.463
56 HB3 GLU 8 HB3 GLU 8 0.051 10.402 2.344
57 HG2 GLU 8 HG2 GLU 8 -2.322 9.322 3.887
58 HG3 GLU 8 HG3 GLU 8 -1.393 10.755 4.316
59 H ARG 9 H ARG 9 0.795 6.748 2.163
60 HA ARG 9 HA ARG 9 3.001 7.370 0.519
61 HB2 ARG 9 HB2 ARG 9 2.123 4.644 1.560
62 HB3 ARG 9 HB3 ARG 9 3.712 4.994 0.880
63 HG2 ARG 9 HG2 ARG 9 4.223 6.490 2.737
64 HG3 ARG 9 HG3 ARG 9 2.593 6.294 3.390
65 HD2 ARG 9 HD2 ARG 9 3.041 3.874 3.734
66 HD3 ARG 9 HD3 ARG 9 4.681 4.102 3.117
67 HE ARG 9 HE ARG 9 4.248 5.880 5.246
68 HH11 ARG 9 HH11 ARG 9 4.745 2.432 4.698
69 HH12 ARG 9 HH12 ARG 9 5.395 2.150 6.281
70 HH21 ARG 9 HH21 ARG 9 5.046 5.479 7.344
71 HH22 ARG 9 HH22 ARG 9 5.568 3.882 7.785
72 H LEU 10 H LEU 10 0.128 5.370 -0.051
73 HA LEU 10 HA LEU 10 0.921 4.117 -2.453
74 HB2 LEU 10 HB2 LEU 10 -1.925 4.795 -1.611
75 HB3 LEU 10 HB3 LEU 10 -1.447 3.575 -2.777
76 HG LEU 10 HG LEU 10 -1.129 3.498 0.237
77 HD11 LEU 10 HD11 LEU 10 -2.463 1.467 0.106
78 HD12 LEU 10 HD12 LEU 10 -2.562 1.615 -1.651
79 HD13 LEU 10 HD13 LEU 10 -3.317 2.829 -0.615
80 HD21 LEU 10 HD21 LEU 10 0.961 2.649 -0.647
81 HD22 LEU 10 HD22 LEU 10 0.103 1.563 -1.743
82 HD23 LEU 10 HD23 LEU 10 0.008 1.322 0.005
83 H LYS 11 H LYS 11 -0.877 7.119 -1.834
84 HA LYS 11 HA LYS 11 -1.432 7.666 -4.619
85 HB2 LYS 11 HB2 LYS 11 -1.820 9.410 -2.162
86 HB3 LYS 11 HB3 LYS 11 -2.546 9.675 -3.747
87 HG2 LYS 11 HG2 LYS 11 -3.857 7.606 -3.517
88 HG3 LYS 11 HG3 LYS 11 -3.077 7.269 -1.968
89 HD2 LYS 11 HD2 LYS 11 -5.283 8.212 -1.559
90 HD3 LYS 11 HD3 LYS 11 -4.056 9.366 -1.041
91 HE2 LYS 11 HE2 LYS 11 -4.396 10.677 -3.088
92 HE3 LYS 11 HE3 LYS 11 -5.553 9.484 -3.682
93 HZ1 LYS 11 HZ1 LYS 11 -5.899 11.093 -1.208
94 HZ2 LYS 11 HZ2 LYS 11 -7.020 10.014 -1.868
95 HZ3 LYS 11 HZ3 LYS 11 -6.627 11.433 -2.697
96 H LYS 12 H LYS 12 0.646 9.115 -2.121
97 HA LYS 12 HA LYS 12 1.405 11.415 -3.618
98 HB2 LYS 12 HB2 LYS 12 1.324 10.882 -0.984
99 HB3 LYS 12 HB3 LYS 12 3.003 10.443 -1.231
100 HG2 LYS 12 HG2 LYS 12 1.783 13.156 -1.826
101 HG3 LYS 12 HG3 LYS 12 2.665 12.740 -0.353
102 HD2 LYS 12 HD2 LYS 12 4.707 12.331 -1.706
103 HD3 LYS 12 HD3 LYS 12 3.820 12.749 -3.175
104 HE2 LYS 12 HE2 LYS 12 3.427 15.026 -2.205
105 HE3 LYS 12 HE3 LYS 12 4.468 14.586 -0.847
106 HZ1 LYS 12 HZ1 LYS 12 6.291 14.275 -2.379
107 HZ2 LYS 12 HZ2 LYS 12 5.642 15.825 -2.573
108 HZ3 LYS 12 HZ3 LYS 12 5.292 14.617 -3.700
109 H LEU 13 H LEU 13 2.953 8.299 -2.956
110 HA LEU 13 HA LEU 13 5.482 8.928 -4.173
111 HB2 LEU 13 HB2 LEU 13 4.514 6.923 -2.474
112 HB3 LEU 13 HB3 LEU 13 4.814 6.044 -3.954
113 HG LEU 13 HG LEU 13 6.938 7.772 -2.638
114 HD11 LEU 13 HD11 LEU 13 6.437 4.825 -2.157
115 HD12 LEU 13 HD12 LEU 13 6.254 6.130 -0.982
116 HD13 LEU 13 HD13 LEU 13 7.854 5.729 -1.609
117 HD21 LEU 13 HD21 LEU 13 7.140 5.506 -4.647
118 HD22 LEU 13 HD22 LEU 13 8.503 6.373 -3.932
119 HD23 LEU 13 HD23 LEU 13 7.371 7.226 -4.979
120 H GLY 14 H GLY 14 2.411 7.887 -5.339
121 HA2 GLY 14 HA2 GLY 14 1.579 7.571 -7.425
122 HA3 GLY 14 HA3 GLY 14 3.040 8.328 -8.045
123 H MET 15 H MET 15 2.401 5.274 -6.318
124 HA MET 15 HA MET 15 4.144 3.720 -8.009
125 HB2 MET 15 HB2 MET 15 3.433 1.805 -6.663
126 HB3 MET 15 HB3 MET 15 3.799 3.172 -5.619
127 HG2 MET 15 HG2 MET 15 1.383 3.632 -5.393
128 HG3 MET 15 HG3 MET 15 1.035 2.258 -6.433
129 HE1 MET 15 HE1 MET 15 2.919 1.803 -2.236
130 HE2 MET 15 HE2 MET 15 2.520 3.375 -2.933
131 HE3 MET 15 HE3 MET 15 3.846 2.419 -3.598
132 H SER 16 H SER 16 3.082 1.442 -8.748
133 HA SER 16 HA SER 16 1.455 1.957 -10.998
134 HB2 SER 16 HB2 SER 16 2.031 -0.691 -9.592
135 HB3 SER 16 HB3 SER 16 1.351 -0.530 -11.213
136 HG SER 16 HG SER 16 3.682 -0.893 -11.064
137 H GLU 17 H GLU 17 -0.783 1.680 -11.355
138 HA GLU 17 HA GLU 17 -2.430 2.294 -9.140
139 HB2 GLU 17 HB2 GLU 17 -2.900 2.956 -11.526
140 HB3 GLU 17 HB3 GLU 17 -3.417 1.299 -11.831
141 HG2 GLU 17 HG2 GLU 17 -5.199 1.510 -10.148
142 HG3 GLU 17 HG3 GLU 17 -4.671 3.145 -9.749
143 H GLU 18 H GLU 18 -1.562 -0.691 -10.620
144 HA GLU 18 HA GLU 18 -3.619 -2.381 -9.640
145 HB2 GLU 18 HB2 GLU 18 -2.221 -3.026 -11.550
146 HB3 GLU 18 HB3 GLU 18 -0.765 -2.924 -10.566
147 HG2 GLU 18 HG2 GLU 18 -1.552 -4.864 -9.224
148 HG3 GLU 18 HG3 GLU 18 -2.988 -4.972 -10.244
149 H CYS 19 H CYS 19 -0.704 -1.033 -8.276
150 HA CYS 19 HA CYS 19 -0.223 -3.029 -6.286
151 HB2 CYS 19 HB2 CYS 19 0.810 -0.185 -6.649
152 HB3 CYS 19 HB3 CYS 19 1.374 -1.266 -5.401
153 H ARG 20 H ARG 20 -1.667 0.289 -6.267
154 HA ARG 20 HA ARG 20 -2.056 0.386 -3.444
155 HB2 ARG 20 HB2 ARG 20 -3.932 1.873 -5.315
156 HB3 ARG 20 HB3 ARG 20 -3.432 2.311 -3.684
157 HG2 ARG 20 HG2 ARG 20 -2.140 3.772 -4.882
158 HG3 ARG 20 HG3 ARG 20 -1.024 2.422 -4.820
159 HD2 ARG 20 HD2 ARG 20 -1.024 3.211 -7.047
160 HD3 ARG 20 HD3 ARG 20 -1.971 1.709 -7.030
161 HE ARG 20 HE ARG 20 -3.976 2.992 -7.187
162 HH11 ARG 20 HH11 ARG 20 -1.035 4.860 -7.811
163 HH12 ARG 20 HH12 ARG 20 -1.868 6.113 -8.669
164 HH21 ARG 20 HH21 ARG 20 -5.055 4.706 -8.277
165 HH22 ARG 20 HH22 ARG 20 -4.133 6.024 -8.931
166 H GLN 21 H GLN 21 -4.050 -0.879 -6.043
167 HA GLN 21 HA GLN 21 -6.462 -1.282 -4.671
168 HB2 GLN 21 HB2 GLN 21 -5.288 -2.864 -7.002
169 HB3 GLN 21 HB3 GLN 21 -6.971 -2.944 -6.472
170 HG2 GLN 21 HG2 GLN 21 -7.284 -0.588 -7.036
171 HG3 GLN 21 HG3 GLN 21 -5.588 -0.455 -7.500
172 HE21 GLN 21 HE21 GLN 21 -6.073 0.181 -9.594
173 HE22 GLN 21 HE22 GLN 21 -6.769 -0.882 -10.766
174 H ARG 22 H ARG 22 -3.547 -3.212 -4.971
175 HA ARG 22 HA ARG 22 -4.493 -5.533 -3.532
176 HB2 ARG 22 HB2 ARG 22 -1.722 -4.586 -4.378
177 HB3 ARG 22 HB3 ARG 22 -1.986 -6.102 -3.540
178 HG2 ARG 22 HG2 ARG 22 -3.382 -6.899 -5.423
179 HG3 ARG 22 HG3 ARG 22 -3.107 -5.368 -6.263
180 HD2 ARG 22 HD2 ARG 22 -0.703 -5.835 -6.387
181 HD3 ARG 22 HD3 ARG 22 -0.913 -7.326 -5.465
182 HE ARG 22 HE ARG 22 -2.531 -7.735 -7.579
183 HH11 ARG 22 HH11 ARG 22 0.856 -6.698 -7.432
184 HH12 ARG 22 HH12 ARG 22 1.257 -7.415 -8.961
185 HH21 ARG 22 HH21 ARG 22 -1.988 -8.663 -9.558
186 HH22 ARG 22 HH22 ARG 22 -0.370 -8.532 -10.174
187 H LEU 23 H LEU 23 -2.628 -2.586 -2.761
188 HA LEU 23 HA LEU 23 -1.530 -3.631 -0.318
189 HB2 LEU 23 HB2 LEU 23 -1.499 -0.805 -1.418
190 HB3 LEU 23 HB3 LEU 23 -0.484 -1.413 -0.122
191 HG LEU 23 HG LEU 23 -0.425 -2.376 -2.986
192 HD11 LEU 23 HD11 LEU 23 0.475 -0.168 -2.867
193 HD12 LEU 23 HD12 LEU 23 1.750 -1.344 -3.178
194 HD13 LEU 23 HD13 LEU 23 1.564 -0.650 -1.565
195 HD21 LEU 23 HD21 LEU 23 1.358 -3.196 -0.696
196 HD22 LEU 23 HD22 LEU 23 1.547 -3.659 -2.391
197 HD23 LEU 23 HD23 LEU 23 0.129 -4.189 -1.495
198 H GLU 24 H GLU 24 -3.914 -1.100 -1.092
199 HA GLU 24 HA GLU 24 -4.598 -0.354 1.502
200 HB2 GLU 24 HB2 GLU 24 -5.573 0.205 -1.149
201 HB3 GLU 24 HB3 GLU 24 -6.973 -0.272 -0.208
202 HG2 GLU 24 HG2 GLU 24 -5.041 1.894 0.666
203 HG3 GLU 24 HG3 GLU 24 -6.467 2.213 -0.319
204 H LYS 25 H LYS 25 -5.638 -3.060 -0.506
205 HA LYS 25 HA LYS 25 -7.809 -3.934 1.117
206 HB2 LYS 25 HB2 LYS 25 -7.663 -4.467 -1.280
207 HB3 LYS 25 HB3 LYS 25 -6.185 -5.382 -1.009
208 HG2 LYS 25 HG2 LYS 25 -7.392 -7.050 0.280
209 HG3 LYS 25 HG3 LYS 25 -8.887 -6.110 0.160
210 HD2 LYS 25 HD2 LYS 25 -8.912 -6.439 -2.292
211 HD3 LYS 25 HD3 LYS 25 -7.383 -7.327 -2.203
212 HE2 LYS 25 HE2 LYS 25 -8.469 -9.037 -0.811
213 HE3 LYS 25 HE3 LYS 25 -9.991 -8.154 -0.900
214 HZ1 LYS 25 HZ1 LYS 25 -8.552 -9.322 -3.217
215 HZ2 LYS 25 HZ2 LYS 25 -10.042 -8.526 -3.263
216 HZ3 LYS 25 HZ3 LYS 25 -9.901 -10.000 -2.454
217 H MET 26 H MET 26 -4.400 -4.898 0.839
218 HA MET 26 HA MET 26 -4.479 -7.000 2.757
219 HB2 MET 26 HB2 MET 26 -2.169 -5.342 1.682
220 HB3 MET 26 HB3 MET 26 -1.961 -6.735 2.733
221 HG2 MET 26 HG2 MET 26 -3.267 -6.854 0.005
222 HG3 MET 26 HG3 MET 26 -1.571 -7.189 0.307
223 HE1 MET 26 HE1 MET 26 -5.113 -10.018 1.152
224 HE2 MET 26 HE2 MET 26 -5.108 -8.632 0.061
225 HE3 MET 26 HE3 MET 26 -5.172 -8.382 1.807
226 H CYS 27 H CYS 27 -4.050 -3.556 2.941
227 HA CYS 27 HA CYS 27 -3.082 -3.396 5.622
228 HB2 CYS 27 HB2 CYS 27 -2.792 -1.663 3.806
229 HB3 CYS 27 HB3 CYS 27 -4.495 -1.257 3.988
230 H LYS 28 H LYS 28 -6.271 -3.476 4.108
231 HA LYS 28 HA LYS 28 -7.825 -2.861 6.447
232 HB2 LYS 28 HB2 LYS 28 -8.669 -4.327 3.899
233 HB3 LYS 28 HB3 LYS 28 -9.762 -3.675 5.115
234 HG2 LYS 28 HG2 LYS 28 -9.136 -1.399 4.539
235 HG3 LYS 28 HG3 LYS 28 -7.898 -1.984 3.433
236 HD2 LYS 28 HD2 LYS 28 -9.805 -3.156 2.150
237 HD3 LYS 28 HD3 LYS 28 -10.908 -2.196 3.141
238 HE2 LYS 28 HE2 LYS 28 -8.827 -1.149 1.193
239 HE3 LYS 28 HE3 LYS 28 -10.583 -1.092 1.008
240 HZ1 LYS 28 HZ1 LYS 28 -9.783 1.033 1.716
241 HZ2 LYS 28 HZ2 LYS 28 -8.957 0.365 3.023
242 HZ3 LYS 28 HZ3 LYS 28 -10.650 0.353 3.002
243 H GLU 29 H GLU 29 -7.349 -5.876 4.613
244 HA GLU 29 HA GLU 29 -8.727 -7.451 6.660
245 HB2 GLU 29 HB2 GLU 29 -7.860 -8.181 3.828
246 HB3 GLU 29 HB3 GLU 29 -8.906 -9.149 4.871
247 HG2 GLU 29 HG2 GLU 29 -10.574 -7.291 4.861
248 HG3 GLU 29 HG3 GLU 29 -9.544 -6.399 3.740
249 H GLY 30 H GLY 30 -5.757 -6.571 6.714
250 HA2 GLY 30 HA2 GLY 30 -4.784 -9.061 7.902
251 HA3 GLY 30 HA3 GLY 30 -3.850 -8.436 6.541
252 H THR 31 H THR 31 -2.167 -7.264 7.153
253 HA THR 31 HA THR 31 -2.384 -5.465 9.500
254 HB THR 31 HB THR 31 0.035 -5.889 10.009
255 HG1 THR 31 HG1 THR 31 -0.232 -7.949 8.056
256 HG21 THR 31 HG21 THR 31 -1.650 -8.419 10.069
257 HG22 THR 31 HG22 THR 31 -1.686 -7.139 11.285
258 HG23 THR 31 HG23 THR 31 -0.226 -8.106 11.061
259 H SER 32 H SER 32 -1.486 -3.449 9.263
260 HA SER 32 HA SER 32 -1.136 -2.351 6.701
261 HB2 SER 32 HB2 SER 32 -0.221 -1.208 9.375
262 HB3 SER 32 HB3 SER 32 -0.503 -0.294 7.892
263 HG SER 32 HG SER 32 -2.647 -0.564 8.113
264 H GLU 33 H GLU 33 1.217 -3.553 9.087
265 HA GLU 33 HA GLU 33 3.554 -2.544 7.883
266 HB2 GLU 33 HB2 GLU 33 4.792 -4.155 9.256
267 HB3 GLU 33 HB3 GLU 33 3.574 -3.301 10.195
268 HG2 GLU 33 HG2 GLU 33 2.094 -5.280 10.072
269 HG3 GLU 33 HG3 GLU 33 3.323 -6.137 9.136
270 H ASP 34 H ASP 34 1.699 -5.490 7.249
271 HA ASP 34 HA ASP 34 3.556 -6.776 5.508
272 HB2 ASP 34 HB2 ASP 34 1.690 -8.022 6.502
273 HB3 ASP 34 HB3 ASP 34 0.513 -6.984 5.702
274 H ALA 35 H ALA 35 0.867 -4.532 4.976
275 HA ALA 35 HA ALA 35 0.866 -4.647 2.137
276 HB1 ALA 35 HB1 ALA 35 -1.112 -4.047 3.451
277 HB2 ALA 35 HB2 ALA 35 -0.720 -2.784 2.281
278 HB3 ALA 35 HB3 ALA 35 -0.318 -2.565 3.987
279 H GLU 36 H GLU 36 2.479 -2.491 4.452
280 HA GLU 36 HA GLU 36 3.413 -0.646 2.443
281 HB2 GLU 36 HB2 GLU 36 4.747 0.384 4.229
282 HB3 GLU 36 HB3 GLU 36 3.080 0.135 4.736
283 HG2 GLU 36 HG2 GLU 36 3.762 -1.842 6.021
284 HG3 GLU 36 HG3 GLU 36 5.434 -1.608 5.508
285 H ARG 37 H ARG 37 4.740 -3.566 3.955
286 HA ARG 37 HA ARG 37 7.316 -3.500 2.769
287 HB2 ARG 37 HB2 ARG 37 5.543 -5.873 3.475
288 HB3 ARG 37 HB3 ARG 37 7.206 -6.030 2.919
289 HG2 ARG 37 HG2 ARG 37 8.002 -4.790 4.879
290 HG3 ARG 37 HG3 ARG 37 6.345 -4.591 5.443
291 HD2 ARG 37 HD2 ARG 37 7.361 -6.412 6.668
292 HD3 ARG 37 HD3 ARG 37 6.141 -7.079 5.581
293 HE ARG 37 HE ARG 37 8.530 -7.184 4.203
294 HH11 ARG 37 HH11 ARG 37 7.300 -8.606 7.197
295 HH12 ARG 37 HH12 ARG 37 8.312 -10.013 7.075
296 HH21 ARG 37 HH21 ARG 37 9.841 -9.011 4.066
297 HH22 ARG 37 HH22 ARG 37 9.759 -10.242 5.285
298 H MET 38 H MET 38 4.204 -4.786 1.604
299 HA MET 38 HA MET 38 5.166 -5.611 -0.956
300 HB2 MET 38 HB2 MET 38 2.346 -5.091 0.050
301 HB3 MET 38 HB3 MET 38 2.720 -5.809 -1.510
302 HG2 MET 38 HG2 MET 38 3.476 -7.023 1.163
303 HG3 MET 38 HG3 MET 38 2.042 -7.452 0.240
304 HE1 MET 38 HE1 MET 38 5.649 -8.387 1.007
305 HE2 MET 38 HE2 MET 38 6.051 -7.192 -0.225
306 HE3 MET 38 HE3 MET 38 6.339 -8.907 -0.527
307 H ALA 39 H ALA 39 4.130 -2.550 0.361
308 HA ALA 39 HA ALA 39 3.629 -1.160 -2.068
309 HB1 ALA 39 HB1 ALA 39 3.830 0.892 -0.733
310 HB2 ALA 39 HB2 ALA 39 4.531 -0.028 0.602
311 HB3 ALA 39 HB3 ALA 39 2.859 -0.315 0.117
312 H ARG 40 H ARG 40 6.566 -1.435 -0.021
313 HA ARG 40 HA ARG 40 8.217 0.030 -1.851
314 HB2 ARG 40 HB2 ARG 40 10.114 -0.664 -0.486
315 HB3 ARG 40 HB3 ARG 40 8.793 -0.092 0.523
316 HG2 ARG 40 HG2 ARG 40 8.198 -2.394 1.094
317 HG3 ARG 40 HG3 ARG 40 9.482 -3.006 0.048
318 HD2 ARG 40 HD2 ARG 40 9.910 -1.255 2.490
319 HD3 ARG 40 HD3 ARG 40 10.072 -3.014 2.461
320 HE ARG 40 HE ARG 40 11.707 -1.581 0.538
321 HH11 ARG 40 HH11 ARG 40 11.639 -2.960 3.787
322 HH12 ARG 40 HH12 ARG 40 13.357 -3.087 3.902
323 HH21 ARG 40 HH21 ARG 40 13.954 -1.806 0.681
324 HH22 ARG 40 HH22 ARG 40 14.674 -2.427 2.126
325 H ASN 41 H ASN 41 7.179 -3.288 -1.645
326 HA ASN 41 HA ASN 41 9.126 -4.333 -3.519
327 HB2 ASN 41 HB2 ASN 41 6.719 -5.470 -2.107
328 HB3 ASN 41 HB3 ASN 41 7.196 -6.246 -3.614
329 HD21 ASN 41 HD21 ASN 41 8.059 -5.728 -0.267
330 HD22 ASN 41 HD22 ASN 41 9.383 -6.823 -0.246
331 H CYS 42 H CYS 42 6.298 -2.452 -3.812
332 HA CYS 42 HA CYS 42 6.061 -2.881 -6.716
333 HB2 CYS 42 HB2 CYS 42 4.004 -2.392 -5.389
334 HB3 CYS 42 HB3 CYS 42 4.681 -0.849 -4.883
335 H GLU 43 H GLU 43 8.579 -1.940 -5.326
336 HA GLU 43 HA GLU 43 10.387 -0.709 -5.721
337 HB2 GLU 43 HB2 GLU 43 8.916 0.086 -8.260
338 HB3 GLU 43 HB3 GLU 43 10.615 0.433 -7.953
339 HG2 GLU 43 HG2 GLU 43 11.097 -1.998 -7.857
340 HG3 GLU 43 HG3 GLU 43 9.392 -2.346 -8.170
341 H SER 44 H SER 44 7.960 0.527 -4.383
342 HA SER 44 HA SER 44 8.100 3.351 -5.022
343 HB2 SER 44 HB2 SER 44 6.496 1.955 -2.852
344 HB3 SER 44 HB3 SER 44 6.225 3.574 -3.506
345 HG SER 44 HG SER 44 5.415 1.166 -4.461
Start of MODEL 10
1 H1 ALA 1 H1 ALA 1 -3.801 7.454 12.555
2 H2 ALA 1 H2 ALA 1 -5.067 6.700 13.378
3 H3 ALA 1 H3 ALA 1 -5.249 8.284 12.821
4 HA ALA 1 HA ALA 1 -6.426 6.702 11.446
5 HB1 ALA 1 HB1 ALA 1 -5.626 8.808 10.496
6 HB2 ALA 1 HB2 ALA 1 -5.586 7.516 9.299
7 HB3 ALA 1 HB3 ALA 1 -4.089 8.048 10.071
8 HA PRO 2 HA PRO 2 -4.056 2.838 11.662
9 HB2 PRO 2 HB2 PRO 2 -6.062 1.138 10.751
10 HB3 PRO 2 HB3 PRO 2 -5.964 1.759 12.413
11 HG2 PRO 2 HG2 PRO 2 -7.614 2.774 10.114
12 HG3 PRO 2 HG3 PRO 2 -8.076 2.544 11.816
13 HD2 PRO 2 HD2 PRO 2 -7.457 4.986 10.853
14 HD3 PRO 2 HD3 PRO 2 -7.030 4.524 12.512
15 H CYS 3 H CYS 3 -5.667 3.876 8.642
16 HA CYS 3 HA CYS 3 -3.602 2.448 7.083
17 HB2 CYS 3 HB2 CYS 3 -5.712 0.991 7.414
18 HB3 CYS 3 HB3 CYS 3 -6.537 2.135 6.361
19 H GLU 4 H GLU 4 -5.363 5.227 7.627
20 HA GLU 4 HA GLU 4 -5.742 6.260 4.991
21 HB2 GLU 4 HB2 GLU 4 -5.518 7.649 7.689
22 HB3 GLU 4 HB3 GLU 4 -5.838 8.521 6.202
23 HG2 GLU 4 HG2 GLU 4 -7.880 8.097 7.552
24 HG3 GLU 4 HG3 GLU 4 -7.956 7.456 5.914
25 H ASP 5 H ASP 5 -3.192 6.630 7.430
26 HA ASP 5 HA ASP 5 -1.443 8.337 6.062
27 HB2 ASP 5 HB2 ASP 5 -1.153 7.818 8.463
28 HB3 ASP 5 HB3 ASP 5 -0.819 6.131 8.083
29 H LEU 6 H LEU 6 -1.817 4.809 5.998
30 HA LEU 6 HA LEU 6 0.487 4.202 4.469
31 HB2 LEU 6 HB2 LEU 6 -0.672 2.556 5.882
32 HB3 LEU 6 HB3 LEU 6 -2.068 2.606 4.825
33 HG LEU 6 HG LEU 6 0.513 1.834 3.485
34 HD11 LEU 6 HD11 LEU 6 -0.838 -0.098 5.375
35 HD12 LEU 6 HD12 LEU 6 0.751 0.637 5.607
36 HD13 LEU 6 HD13 LEU 6 0.482 -0.465 4.259
37 HD21 LEU 6 HD21 LEU 6 -2.282 0.633 3.361
38 HD22 LEU 6 HD22 LEU 6 -0.923 0.203 2.315
39 HD23 LEU 6 HD23 LEU 6 -1.618 1.821 2.234
40 H LYS 7 H LYS 7 -2.944 4.611 3.503
41 HA LYS 7 HA LYS 7 -2.490 3.880 0.806
42 HB2 LYS 7 HB2 LYS 7 -4.731 3.797 0.693
43 HB3 LYS 7 HB3 LYS 7 -4.775 4.287 2.368
44 HG2 LYS 7 HG2 LYS 7 -4.774 6.381 0.190
45 HG3 LYS 7 HG3 LYS 7 -6.256 5.505 0.576
46 HD2 LYS 7 HD2 LYS 7 -6.091 6.266 2.931
47 HD3 LYS 7 HD3 LYS 7 -4.604 7.133 2.552
48 HE2 LYS 7 HE2 LYS 7 -5.831 8.625 1.053
49 HE3 LYS 7 HE3 LYS 7 -7.317 7.717 1.337
50 HZ1 LYS 7 HZ1 LYS 7 -7.273 8.358 3.638
51 HZ2 LYS 7 HZ2 LYS 7 -7.203 9.742 2.672
52 HZ3 LYS 7 HZ3 LYS 7 -5.806 9.177 3.439
53 H GLU 8 H GLU 8 -2.292 6.957 2.454
54 HA GLU 8 HA GLU 8 -2.048 8.609 0.118
55 HB2 GLU 8 HB2 GLU 8 -1.267 9.103 3.016
56 HB3 GLU 8 HB3 GLU 8 -1.217 10.335 1.749
57 HG2 GLU 8 HG2 GLU 8 -3.663 10.061 1.414
58 HG3 GLU 8 HG3 GLU 8 -3.692 8.865 2.713
59 H ARG 9 H ARG 9 0.217 6.742 2.073
60 HA ARG 9 HA ARG 9 2.609 7.798 0.905
61 HB2 ARG 9 HB2 ARG 9 2.010 5.236 2.427
62 HB3 ARG 9 HB3 ARG 9 3.602 5.543 1.739
63 HG2 ARG 9 HG2 ARG 9 3.773 7.615 3.089
64 HG3 ARG 9 HG3 ARG 9 2.204 7.261 3.818
65 HD2 ARG 9 HD2 ARG 9 4.590 5.390 3.969
66 HD3 ARG 9 HD3 ARG 9 4.234 6.603 5.198
67 HE ARG 9 HE ARG 9 1.943 5.322 5.247
68 HH11 ARG 9 HH11 ARG 9 5.162 3.891 5.029
69 HH12 ARG 9 HH12 ARG 9 4.694 2.428 5.833
70 HH21 ARG 9 HH21 ARG 9 1.358 3.371 6.291
71 HH22 ARG 9 HH22 ARG 9 2.544 2.136 6.547
72 H LEU 10 H LEU 10 0.347 5.194 0.037
73 HA LEU 10 HA LEU 10 1.853 4.018 -2.055
74 HB2 LEU 10 HB2 LEU 10 -1.179 4.216 -2.007
75 HB3 LEU 10 HB3 LEU 10 -0.199 2.989 -2.795
76 HG LEU 10 HG LEU 10 -0.714 3.316 0.183
77 HD11 LEU 10 HD11 LEU 10 -1.383 1.055 -1.710
78 HD12 LEU 10 HD12 LEU 10 -2.510 2.259 -1.079
79 HD13 LEU 10 HD13 LEU 10 -1.741 1.120 0.021
80 HD21 LEU 10 HD21 LEU 10 1.638 2.662 -0.089
81 HD22 LEU 10 HD22 LEU 10 1.157 1.301 -1.104
82 HD23 LEU 10 HD23 LEU 10 0.684 1.351 0.596
83 H LYS 11 H LYS 11 -0.183 6.871 -1.877
84 HA LYS 11 HA LYS 11 -0.303 7.426 -4.700
85 HB2 LYS 11 HB2 LYS 11 -0.925 9.224 -2.326
86 HB3 LYS 11 HB3 LYS 11 -1.369 9.539 -4.004
87 HG2 LYS 11 HG2 LYS 11 -2.882 7.602 -3.991
88 HG3 LYS 11 HG3 LYS 11 -2.388 7.206 -2.342
89 HD2 LYS 11 HD2 LYS 11 -4.526 8.363 -2.254
90 HD3 LYS 11 HD3 LYS 11 -3.285 9.420 -1.577
91 HE2 LYS 11 HE2 LYS 11 -3.187 10.682 -3.688
92 HE3 LYS 11 HE3 LYS 11 -4.365 9.588 -4.415
93 HZ1 LYS 11 HZ1 LYS 11 -5.983 10.332 -2.781
94 HZ2 LYS 11 HZ2 LYS 11 -5.396 11.625 -3.696
95 HZ3 LYS 11 HZ3 LYS 11 -4.851 11.394 -2.115
96 H LYS 12 H LYS 12 1.506 8.791 -1.922
97 HA LYS 12 HA LYS 12 2.747 10.907 -3.360
98 HB2 LYS 12 HB2 LYS 12 2.362 10.981 -0.903
99 HB3 LYS 12 HB3 LYS 12 3.519 9.679 -0.672
100 HG2 LYS 12 HG2 LYS 12 4.432 12.231 -2.005
101 HG3 LYS 12 HG3 LYS 12 4.203 12.226 -0.258
102 HD2 LYS 12 HD2 LYS 12 5.924 10.608 0.071
103 HD3 LYS 12 HD3 LYS 12 5.936 10.144 -1.627
104 HE2 LYS 12 HE2 LYS 12 7.926 11.420 -1.146
105 HE3 LYS 12 HE3 LYS 12 6.888 12.363 -2.209
106 HZ1 LYS 12 HZ1 LYS 12 6.177 13.670 -0.298
107 HZ2 LYS 12 HZ2 LYS 12 7.861 13.717 -0.461
108 HZ3 LYS 12 HZ3 LYS 12 7.155 12.745 0.726
109 H LEU 13 H LEU 13 3.824 7.673 -2.401
110 HA LEU 13 HA LEU 13 6.475 7.948 -3.474
111 HB2 LEU 13 HB2 LEU 13 4.884 5.598 -2.416
112 HB3 LEU 13 HB3 LEU 13 6.442 5.354 -3.176
113 HG LEU 13 HG LEU 13 7.579 6.630 -1.417
114 HD11 LEU 13 HD11 LEU 13 5.846 8.294 -0.902
115 HD12 LEU 13 HD12 LEU 13 6.452 7.513 0.554
116 HD13 LEU 13 HD13 LEU 13 4.880 7.050 -0.108
117 HD21 LEU 13 HD21 LEU 13 7.198 4.240 -1.046
118 HD22 LEU 13 HD22 LEU 13 5.677 4.590 -0.226
119 HD23 LEU 13 HD23 LEU 13 7.209 5.121 0.477
120 H GLY 14 H GLY 14 3.357 6.908 -4.716
121 HA2 GLY 14 HA2 GLY 14 2.630 7.036 -6.880
122 HA3 GLY 14 HA3 GLY 14 4.246 7.499 -7.376
123 H MET 15 H MET 15 2.386 4.650 -6.294
124 HA MET 15 HA MET 15 3.923 2.837 -8.007
125 HB2 MET 15 HB2 MET 15 2.549 1.098 -6.871
126 HB3 MET 15 HB3 MET 15 3.393 2.129 -5.726
127 HG2 MET 15 HG2 MET 15 1.274 3.411 -5.383
128 HG3 MET 15 HG3 MET 15 0.456 2.277 -6.449
129 HE1 MET 15 HE1 MET 15 2.447 0.931 -2.528
130 HE2 MET 15 HE2 MET 15 2.685 2.526 -3.238
131 HE3 MET 15 HE3 MET 15 3.327 1.093 -4.044
132 H SER 16 H SER 16 2.196 1.070 -8.916
133 HA SER 16 HA SER 16 0.456 2.330 -10.845
134 HB2 SER 16 HB2 SER 16 0.674 -0.615 -10.030
135 HB3 SER 16 HB3 SER 16 -0.064 0.008 -11.509
136 HG SER 16 HG SER 16 2.637 -0.207 -10.805
137 H GLU 17 H GLU 17 -1.885 2.317 -10.788
138 HA GLU 17 HA GLU 17 -3.071 2.636 -8.264
139 HB2 GLU 17 HB2 GLU 17 -4.371 2.155 -10.962
140 HB3 GLU 17 HB3 GLU 17 -5.298 2.468 -9.495
141 HG2 GLU 17 HG2 GLU 17 -3.885 4.611 -9.277
142 HG3 GLU 17 HG3 GLU 17 -3.420 4.324 -10.958
143 H GLU 18 H GLU 18 -2.873 -0.213 -10.361
144 HA GLU 18 HA GLU 18 -4.583 -1.912 -8.903
145 HB2 GLU 18 HB2 GLU 18 -3.733 -2.495 -11.156
146 HB3 GLU 18 HB3 GLU 18 -2.112 -2.688 -10.490
147 HG2 GLU 18 HG2 GLU 18 -2.965 -4.541 -9.027
148 HG3 GLU 18 HG3 GLU 18 -4.548 -4.372 -9.794
149 H CYS 19 H CYS 19 -1.187 -0.992 -8.397
150 HA CYS 19 HA CYS 19 -0.486 -2.945 -6.477
151 HB2 CYS 19 HB2 CYS 19 1.130 -1.255 -7.654
152 HB3 CYS 19 HB3 CYS 19 0.581 -0.093 -6.473
153 H ARG 20 H ARG 20 -1.896 0.346 -6.132
154 HA ARG 20 HA ARG 20 -2.194 0.420 -3.328
155 HB2 ARG 20 HB2 ARG 20 -4.184 1.513 -5.346
156 HB3 ARG 20 HB3 ARG 20 -4.008 2.000 -3.653
157 HG2 ARG 20 HG2 ARG 20 -1.796 2.968 -4.204
158 HG3 ARG 20 HG3 ARG 20 -2.053 2.528 -5.911
159 HD2 ARG 20 HD2 ARG 20 -3.871 4.289 -4.232
160 HD3 ARG 20 HD3 ARG 20 -2.742 4.858 -5.469
161 HE ARG 20 HE ARG 20 -4.121 3.559 -7.093
162 HH11 ARG 20 HH11 ARG 20 -5.618 4.460 -4.054
163 HH12 ARG 20 HH12 ARG 20 -7.227 4.450 -4.701
164 HH21 ARG 20 HH21 ARG 20 -6.236 3.717 -7.979
165 HH22 ARG 20 HH22 ARG 20 -7.571 4.028 -6.918
166 H GLN 21 H GLN 21 -4.333 -0.764 -5.885
167 HA GLN 21 HA GLN 21 -6.617 -1.191 -4.380
168 HB2 GLN 21 HB2 GLN 21 -5.709 -2.611 -6.928
169 HB3 GLN 21 HB3 GLN 21 -7.334 -2.761 -6.256
170 HG2 GLN 21 HG2 GLN 21 -7.860 -0.501 -6.719
171 HG3 GLN 21 HG3 GLN 21 -6.170 -0.068 -6.982
172 HE21 GLN 21 HE21 GLN 21 -6.472 0.755 -9.017
173 HE22 GLN 21 HE22 GLN 21 -6.894 -0.197 -10.390
174 H ARG 22 H ARG 22 -3.803 -3.182 -4.972
175 HA ARG 22 HA ARG 22 -4.552 -5.556 -3.575
176 HB2 ARG 22 HB2 ARG 22 -1.822 -4.324 -4.163
177 HB3 ARG 22 HB3 ARG 22 -2.062 -5.954 -3.562
178 HG2 ARG 22 HG2 ARG 22 -3.026 -6.675 -5.641
179 HG3 ARG 22 HG3 ARG 22 -3.147 -5.013 -6.233
180 HD2 ARG 22 HD2 ARG 22 -0.692 -4.831 -6.266
181 HD3 ARG 22 HD3 ARG 22 -0.546 -6.468 -5.630
182 HE ARG 22 HE ARG 22 -1.930 -6.165 -8.190
183 HH11 ARG 22 HH11 ARG 22 1.050 -7.013 -6.520
184 HH12 ARG 22 HH12 ARG 22 1.729 -7.843 -7.877
185 HH21 ARG 22 HH21 ARG 22 -1.011 -7.237 -9.992
186 HH22 ARG 22 HH22 ARG 22 0.554 -7.970 -9.858
187 H LEU 23 H LEU 23 -2.667 -2.607 -2.678
188 HA LEU 23 HA LEU 23 -1.748 -3.773 -0.225
189 HB2 LEU 23 HB2 LEU 23 -1.352 -1.049 -1.438
190 HB3 LEU 23 HB3 LEU 23 -0.532 -1.601 0.005
191 HG LEU 23 HG LEU 23 -0.265 -2.788 -2.773
192 HD11 LEU 23 HD11 LEU 23 1.763 -1.293 -1.131
193 HD12 LEU 23 HD12 LEU 23 0.891 -0.672 -2.540
194 HD13 LEU 23 HD13 LEU 23 2.017 -2.016 -2.725
195 HD21 LEU 23 HD21 LEU 23 -0.145 -4.571 -1.103
196 HD22 LEU 23 HD22 LEU 23 1.107 -3.679 -0.228
197 HD23 LEU 23 HD23 LEU 23 1.424 -4.293 -1.853
198 H GLU 24 H GLU 24 -3.826 -0.949 -0.924
199 HA GLU 24 HA GLU 24 -4.527 -0.147 1.627
200 HB2 GLU 24 HB2 GLU 24 -6.261 -0.288 -0.886
201 HB3 GLU 24 HB3 GLU 24 -6.776 0.524 0.596
202 HG2 GLU 24 HG2 GLU 24 -4.883 2.070 0.404
203 HG3 GLU 24 HG3 GLU 24 -4.367 1.274 -1.085
204 H LYS 25 H LYS 25 -5.744 -2.794 -0.334
205 HA LYS 25 HA LYS 25 -7.939 -3.505 1.326
206 HB2 LYS 25 HB2 LYS 25 -7.708 -3.942 -1.158
207 HB3 LYS 25 HB3 LYS 25 -6.530 -5.192 -0.777
208 HG2 LYS 25 HG2 LYS 25 -8.260 -6.435 0.469
209 HG3 LYS 25 HG3 LYS 25 -9.432 -5.168 0.113
210 HD2 LYS 25 HD2 LYS 25 -9.708 -7.111 -1.378
211 HD3 LYS 25 HD3 LYS 25 -9.284 -5.652 -2.277
212 HE2 LYS 25 HE2 LYS 25 -6.938 -6.436 -2.430
213 HE3 LYS 25 HE3 LYS 25 -7.369 -7.884 -1.511
214 HZ1 LYS 25 HZ1 LYS 25 -8.817 -8.573 -3.268
215 HZ2 LYS 25 HZ2 LYS 25 -7.294 -8.240 -3.924
216 HZ3 LYS 25 HZ3 LYS 25 -8.557 -7.135 -4.122
217 H MET 26 H MET 26 -4.695 -4.942 0.779
218 HA MET 26 HA MET 26 -4.801 -7.033 2.650
219 HB2 MET 26 HB2 MET 26 -2.406 -5.489 1.593
220 HB3 MET 26 HB3 MET 26 -2.280 -6.983 2.513
221 HG2 MET 26 HG2 MET 26 -3.500 -8.164 0.732
222 HG3 MET 26 HG3 MET 26 -3.605 -6.667 -0.183
223 HE1 MET 26 HE1 MET 26 -1.047 -9.320 1.344
224 HE2 MET 26 HE2 MET 26 -0.410 -7.785 1.941
225 HE3 MET 26 HE3 MET 26 0.473 -8.692 0.715
226 H CYS 27 H CYS 27 -4.013 -3.647 3.022
227 HA CYS 27 HA CYS 27 -2.879 -3.641 5.613
228 HB2 CYS 27 HB2 CYS 27 -2.533 -1.711 4.260
229 HB3 CYS 27 HB3 CYS 27 -4.242 -1.563 3.885
230 H LYS 28 H LYS 28 -6.180 -3.557 4.421
231 HA LYS 28 HA LYS 28 -7.340 -3.256 7.112
232 HB2 LYS 28 HB2 LYS 28 -8.457 -3.051 4.303
233 HB3 LYS 28 HB3 LYS 28 -9.534 -3.202 5.689
234 HG2 LYS 28 HG2 LYS 28 -8.757 -1.146 6.644
235 HG3 LYS 28 HG3 LYS 28 -7.434 -1.018 5.482
236 HD2 LYS 28 HD2 LYS 28 -10.308 -1.052 4.516
237 HD3 LYS 28 HD3 LYS 28 -9.621 0.435 5.170
238 HE2 LYS 28 HE2 LYS 28 -8.510 -1.131 2.802
239 HE3 LYS 28 HE3 LYS 28 -9.432 0.374 2.714
240 HZ1 LYS 28 HZ1 LYS 28 -6.746 -0.008 3.926
241 HZ2 LYS 28 HZ2 LYS 28 -7.646 1.417 4.057
242 HZ3 LYS 28 HZ3 LYS 28 -7.128 0.887 2.541
243 H GLU 29 H GLU 29 -6.684 -5.742 4.787
244 HA GLU 29 HA GLU 29 -8.614 -7.664 5.782
245 HB2 GLU 29 HB2 GLU 29 -6.281 -7.937 3.841
246 HB3 GLU 29 HB3 GLU 29 -7.279 -9.304 4.330
247 HG2 GLU 29 HG2 GLU 29 -9.264 -8.209 3.355
248 HG3 GLU 29 HG3 GLU 29 -8.270 -6.834 2.870
249 H GLY 30 H GLY 30 -5.239 -6.834 6.298
250 HA2 GLY 30 HA2 GLY 30 -5.050 -8.751 8.547
251 HA3 GLY 30 HA3 GLY 30 -3.858 -8.839 7.252
252 H THR 31 H THR 31 -2.303 -7.177 7.053
253 HA THR 31 HA THR 31 -2.043 -5.402 9.418
254 HB THR 31 HB THR 31 0.491 -5.912 9.238
255 HG1 THR 31 HG1 THR 31 1.023 -7.842 8.204
256 HG21 THR 31 HG21 THR 31 -0.869 -6.790 11.107
257 HG22 THR 31 HG22 THR 31 0.346 -7.966 10.603
258 HG23 THR 31 HG23 THR 31 -1.337 -8.179 10.120
259 H SER 32 H SER 32 -1.311 -3.412 9.041
260 HA SER 32 HA SER 32 -1.058 -2.310 6.442
261 HB2 SER 32 HB2 SER 32 -0.215 -0.271 7.760
262 HB3 SER 32 HB3 SER 32 -1.816 -0.864 8.220
263 HG SER 32 HG SER 32 0.583 -0.893 9.625
264 H GLU 33 H GLU 33 1.272 -3.431 8.882
265 HA GLU 33 HA GLU 33 3.696 -2.489 7.903
266 HB2 GLU 33 HB2 GLU 33 3.047 -5.090 9.340
267 HB3 GLU 33 HB3 GLU 33 4.700 -4.529 9.068
268 HG2 GLU 33 HG2 GLU 33 4.298 -2.539 10.412
269 HG3 GLU 33 HG3 GLU 33 2.595 -2.964 10.599
270 H ASP 34 H ASP 34 1.908 -5.389 6.892
271 HA ASP 34 HA ASP 34 3.979 -6.342 5.113
272 HB2 ASP 34 HB2 ASP 34 1.152 -7.254 5.726
273 HB3 ASP 34 HB3 ASP 34 2.030 -7.934 4.355
274 H ALA 35 H ALA 35 1.038 -4.431 4.766
275 HA ALA 35 HA ALA 35 0.841 -4.471 1.929
276 HB1 ALA 35 HB1 ALA 35 -1.038 -3.822 3.385
277 HB2 ALA 35 HB2 ALA 35 -0.677 -2.543 2.226
278 HB3 ALA 35 HB3 ALA 35 -0.156 -2.383 3.905
279 H GLU 36 H GLU 36 2.280 -2.101 4.181
280 HA GLU 36 HA GLU 36 3.341 -0.403 2.155
281 HB2 GLU 36 HB2 GLU 36 4.481 0.767 3.998
282 HB3 GLU 36 HB3 GLU 36 2.789 0.468 4.382
283 HG2 GLU 36 HG2 GLU 36 3.516 -1.529 5.724
284 HG3 GLU 36 HG3 GLU 36 5.194 -1.048 5.455
285 H ARG 37 H ARG 37 4.599 -3.210 3.922
286 HA ARG 37 HA ARG 37 7.297 -3.116 3.106
287 HB2 ARG 37 HB2 ARG 37 6.545 -4.766 4.750
288 HB3 ARG 37 HB3 ARG 37 5.505 -5.537 3.557
289 HG2 ARG 37 HG2 ARG 37 7.520 -6.204 2.249
290 HG3 ARG 37 HG3 ARG 37 8.547 -5.462 3.481
291 HD2 ARG 37 HD2 ARG 37 6.633 -7.772 3.923
292 HD3 ARG 37 HD3 ARG 37 8.384 -7.909 3.756
293 HE ARG 37 HE ARG 37 8.233 -6.244 5.832
294 HH11 ARG 37 HH11 ARG 37 6.428 -9.231 5.269
295 HH12 ARG 37 HH12 ARG 37 6.272 -9.584 6.958
296 HH21 ARG 37 HH21 ARG 37 8.043 -6.753 8.023
297 HH22 ARG 37 HH22 ARG 37 7.191 -8.175 8.520
298 H MET 38 H MET 38 4.480 -4.687 1.538
299 HA MET 38 HA MET 38 5.856 -5.566 -0.764
300 HB2 MET 38 HB2 MET 38 2.909 -4.999 -0.350
301 HB3 MET 38 HB3 MET 38 3.553 -5.758 -1.798
302 HG2 MET 38 HG2 MET 38 3.822 -6.921 0.989
303 HG3 MET 38 HG3 MET 38 2.540 -7.343 -0.138
304 HE1 MET 38 HE1 MET 38 6.008 -8.181 1.162
305 HE2 MET 38 HE2 MET 38 6.619 -7.149 -0.135
306 HE3 MET 38 HE3 MET 38 6.868 -8.894 -0.201
307 H ALA 39 H ALA 39 4.413 -2.465 0.042
308 HA ALA 39 HA ALA 39 4.313 -1.218 -2.462
309 HB1 ALA 39 HB1 ALA 39 4.384 0.903 -1.207
310 HB2 ALA 39 HB2 ALA 39 4.935 0.038 0.233
311 HB3 ALA 39 HB3 ALA 39 3.328 -0.275 -0.418
312 H ARG 40 H ARG 40 7.016 -1.379 -0.113
313 HA ARG 40 HA ARG 40 8.761 0.150 -1.843
314 HB2 ARG 40 HB2 ARG 40 10.494 -0.214 -0.038
315 HB3 ARG 40 HB3 ARG 40 9.049 0.657 0.433
316 HG2 ARG 40 HG2 ARG 40 9.541 -0.729 2.252
317 HG3 ARG 40 HG3 ARG 40 8.205 -1.531 1.434
318 HD2 ARG 40 HD2 ARG 40 9.905 -3.121 2.203
319 HD3 ARG 40 HD3 ARG 40 9.755 -3.144 0.445
320 HE ARG 40 HE ARG 40 11.788 -1.623 0.487
321 HH11 ARG 40 HH11 ARG 40 11.249 -4.008 3.038
322 HH12 ARG 40 HH12 ARG 40 12.942 -4.180 3.387
323 HH21 ARG 40 HH21 ARG 40 13.979 -1.894 0.935
324 HH22 ARG 40 HH22 ARG 40 14.490 -2.981 2.187
325 H ASN 41 H ASN 41 7.797 -2.805 -2.411
326 HA ASN 41 HA ASN 41 10.224 -3.233 -4.028
327 HB2 ASN 41 HB2 ASN 41 9.940 -5.735 -3.821
328 HB3 ASN 41 HB3 ASN 41 10.464 -4.949 -2.343
329 HD21 ASN 41 HD21 ASN 41 9.178 -5.017 -0.560
330 HD22 ASN 41 HD22 ASN 41 7.711 -5.915 -0.467
331 H CYS 42 H CYS 42 6.988 -2.596 -3.960
332 HA CYS 42 HA CYS 42 6.195 -4.001 -6.393
333 HB2 CYS 42 HB2 CYS 42 4.488 -3.588 -4.676
334 HB3 CYS 42 HB3 CYS 42 4.809 -1.860 -4.721
335 H GLU 43 H GLU 43 6.735 -0.636 -5.358
336 HA GLU 43 HA GLU 43 6.799 0.321 -8.141
337 HB2 GLU 43 HB2 GLU 43 6.540 2.552 -7.154
338 HB3 GLU 43 HB3 GLU 43 5.327 1.456 -6.505
339 HG2 GLU 43 HG2 GLU 43 7.056 1.144 -4.539
340 HG3 GLU 43 HG3 GLU 43 7.719 2.669 -5.118
341 H SER 44 H SER 44 8.792 0.038 -5.235
342 HA SER 44 HA SER 44 11.078 1.436 -6.345
343 HB2 SER 44 HB2 SER 44 10.849 -0.204 -3.778
344 HB3 SER 44 HB3 SER 44 12.153 0.911 -4.197
345 HG SER 44 HG SER 44 10.397 2.527 -4.347
Start of MODEL 11
1 H1 ALA 1 H1 ALA 1 -4.867 4.113 14.487
2 H2 ALA 1 H2 ALA 1 -3.594 5.215 14.647
3 H3 ALA 1 H3 ALA 1 -3.287 3.629 14.149
4 HA ALA 1 HA ALA 1 -4.889 5.596 12.636
5 HB1 ALA 1 HB1 ALA 1 -2.936 5.735 11.123
6 HB2 ALA 1 HB2 ALA 1 -2.035 4.660 12.196
7 HB3 ALA 1 HB3 ALA 1 -2.532 6.256 12.760
8 HA PRO 2 HA PRO 2 -6.538 1.668 11.142
9 HB2 PRO 2 HB2 PRO 2 -7.770 3.263 8.933
10 HB3 PRO 2 HB3 PRO 2 -8.552 2.267 10.174
11 HG2 PRO 2 HG2 PRO 2 -8.702 4.927 10.285
12 HG3 PRO 2 HG3 PRO 2 -8.522 3.962 11.768
13 HD2 PRO 2 HD2 PRO 2 -6.406 5.499 10.261
14 HD3 PRO 2 HD3 PRO 2 -6.698 5.411 12.015
15 H CYS 3 H CYS 3 -5.755 3.762 8.298
16 HA CYS 3 HA CYS 3 -3.737 1.940 7.282
17 HB2 CYS 3 HB2 CYS 3 -6.052 0.939 6.674
18 HB3 CYS 3 HB3 CYS 3 -6.241 2.309 5.589
19 H GLU 4 H GLU 4 -4.326 4.823 7.987
20 HA GLU 4 HA GLU 4 -4.557 6.395 5.613
21 HB2 GLU 4 HB2 GLU 4 -4.175 8.319 7.202
22 HB3 GLU 4 HB3 GLU 4 -5.481 7.235 7.664
23 HG2 GLU 4 HG2 GLU 4 -3.938 6.126 9.279
24 HG3 GLU 4 HG3 GLU 4 -2.700 7.314 8.867
25 H ASP 5 H ASP 5 -1.842 5.551 7.758
26 HA ASP 5 HA ASP 5 0.196 7.124 6.647
27 HB2 ASP 5 HB2 ASP 5 0.402 4.356 7.927
28 HB3 ASP 5 HB3 ASP 5 1.777 5.416 7.601
29 H LEU 6 H LEU 6 -1.071 3.937 5.778
30 HA LEU 6 HA LEU 6 0.796 3.260 3.765
31 HB2 LEU 6 HB2 LEU 6 -0.717 1.631 4.816
32 HB3 LEU 6 HB3 LEU 6 -2.105 2.469 4.145
33 HG LEU 6 HG LEU 6 -1.065 1.920 1.810
34 HD11 LEU 6 HD11 LEU 6 0.429 -0.119 3.466
35 HD12 LEU 6 HD12 LEU 6 1.133 1.229 2.571
36 HD13 LEU 6 HD13 LEU 6 0.334 -0.078 1.701
37 HD21 LEU 6 HD21 LEU 6 -2.190 -0.338 3.461
38 HD22 LEU 6 HD22 LEU 6 -2.191 -0.218 1.699
39 HD23 LEU 6 HD23 LEU 6 -3.131 0.923 2.662
40 H LYS 7 H LYS 7 -2.487 4.719 3.617
41 HA LYS 7 HA LYS 7 -2.788 4.725 0.839
42 HB2 LYS 7 HB2 LYS 7 -4.692 4.916 2.335
43 HB3 LYS 7 HB3 LYS 7 -4.113 6.459 2.960
44 HG2 LYS 7 HG2 LYS 7 -4.459 7.469 0.698
45 HG3 LYS 7 HG3 LYS 7 -5.093 5.923 0.129
46 HD2 LYS 7 HD2 LYS 7 -6.307 7.614 2.349
47 HD3 LYS 7 HD3 LYS 7 -6.872 7.572 0.678
48 HE2 LYS 7 HE2 LYS 7 -7.406 5.164 0.932
49 HE3 LYS 7 HE3 LYS 7 -6.870 5.231 2.613
50 HZ1 LYS 7 HZ1 LYS 7 -8.611 6.794 3.099
51 HZ2 LYS 7 HZ2 LYS 7 -9.284 5.422 2.381
52 HZ3 LYS 7 HZ3 LYS 7 -9.099 6.841 1.480
53 H GLU 8 H GLU 8 -1.701 7.355 2.978
54 HA GLU 8 HA GLU 8 -1.585 9.316 0.910
55 HB2 GLU 8 HB2 GLU 8 -0.238 9.389 3.632
56 HB3 GLU 8 HB3 GLU 8 -0.562 10.768 2.577
57 HG2 GLU 8 HG2 GLU 8 -2.630 9.009 3.917
58 HG3 GLU 8 HG3 GLU 8 -2.194 10.643 4.410
59 H ARG 9 H ARG 9 0.738 6.998 2.174
60 HA ARG 9 HA ARG 9 2.967 8.028 0.662
61 HB2 ARG 9 HB2 ARG 9 2.481 5.418 2.115
62 HB3 ARG 9 HB3 ARG 9 3.941 5.685 1.163
63 HG2 ARG 9 HG2 ARG 9 4.499 7.628 2.592
64 HG3 ARG 9 HG3 ARG 9 3.051 7.323 3.559
65 HD2 ARG 9 HD2 ARG 9 5.395 5.416 3.216
66 HD3 ARG 9 HD3 ARG 9 5.079 6.421 4.640
67 HE ARG 9 HE ARG 9 2.854 4.745 3.975
68 HH11 ARG 9 HH11 ARG 9 5.993 4.651 5.605
69 HH12 ARG 9 HH12 ARG 9 5.541 3.321 6.626
70 HH21 ARG 9 HH21 ARG 9 2.268 3.081 5.378
71 HH22 ARG 9 HH22 ARG 9 3.421 2.436 6.496
72 H LEU 10 H LEU 10 0.318 5.730 0.031
73 HA LEU 10 HA LEU 10 1.458 4.438 -2.235
74 HB2 LEU 10 HB2 LEU 10 -1.510 4.867 -1.707
75 HB3 LEU 10 HB3 LEU 10 -0.819 3.711 -2.836
76 HG LEU 10 HG LEU 10 -0.788 3.603 0.189
77 HD11 LEU 10 HD11 LEU 10 -1.905 1.487 -0.078
78 HD12 LEU 10 HD12 LEU 10 -1.834 1.635 -1.835
79 HD13 LEU 10 HD13 LEU 10 -2.799 2.771 -0.887
80 HD21 LEU 10 HD21 LEU 10 1.453 2.975 -0.488
81 HD22 LEU 10 HD22 LEU 10 0.817 1.835 -1.675
82 HD23 LEU 10 HD23 LEU 10 0.569 1.551 0.050
83 H LYS 11 H LYS 11 -0.676 7.270 -1.905
84 HA LYS 11 HA LYS 11 -0.889 7.808 -4.711
85 HB2 LYS 11 HB2 LYS 11 -1.954 9.933 -4.019
86 HB3 LYS 11 HB3 LYS 11 -2.636 8.555 -3.162
87 HG2 LYS 11 HG2 LYS 11 -1.290 9.113 -1.173
88 HG3 LYS 11 HG3 LYS 11 -0.575 10.478 -2.027
89 HD2 LYS 11 HD2 LYS 11 -2.314 11.242 -0.494
90 HD3 LYS 11 HD3 LYS 11 -2.797 11.560 -2.161
91 HE2 LYS 11 HE2 LYS 11 -4.360 9.710 -2.117
92 HE3 LYS 11 HE3 LYS 11 -3.743 9.161 -0.554
93 HZ1 LYS 11 HZ1 LYS 11 -5.847 10.406 -0.383
94 HZ2 LYS 11 HZ2 LYS 11 -5.077 11.781 -0.998
95 HZ3 LYS 11 HZ3 LYS 11 -4.589 11.131 0.484
96 H LYS 12 H LYS 12 1.288 8.869 -2.141
97 HA LYS 12 HA LYS 12 2.561 11.021 -3.515
98 HB2 LYS 12 HB2 LYS 12 2.566 10.674 -1.015
99 HB3 LYS 12 HB3 LYS 12 3.663 9.308 -1.243
100 HG2 LYS 12 HG2 LYS 12 5.317 10.909 -2.279
101 HG3 LYS 12 HG3 LYS 12 4.224 12.232 -1.863
102 HD2 LYS 12 HD2 LYS 12 4.435 11.661 0.528
103 HD3 LYS 12 HD3 LYS 12 5.505 10.315 0.114
104 HE2 LYS 12 HE2 LYS 12 6.806 12.253 0.900
105 HE3 LYS 12 HE3 LYS 12 7.160 11.907 -0.791
106 HZ1 LYS 12 HZ1 LYS 12 5.607 13.709 -1.406
107 HZ2 LYS 12 HZ2 LYS 12 6.911 14.265 -0.486
108 HZ3 LYS 12 HZ3 LYS 12 5.394 14.074 0.231
109 H LEU 13 H LEU 13 3.213 7.590 -3.153
110 HA LEU 13 HA LEU 13 5.851 7.593 -4.245
111 HB2 LEU 13 HB2 LEU 13 4.890 6.009 -2.536
112 HB3 LEU 13 HB3 LEU 13 3.906 5.298 -3.791
113 HG LEU 13 HG LEU 13 6.929 5.240 -4.044
114 HD11 LEU 13 HD11 LEU 13 5.290 3.261 -2.434
115 HD12 LEU 13 HD12 LEU 13 6.442 4.424 -1.776
116 HD13 LEU 13 HD13 LEU 13 7.011 3.117 -2.819
117 HD21 LEU 13 HD21 LEU 13 6.501 3.132 -5.272
118 HD22 LEU 13 HD22 LEU 13 5.619 4.476 -5.993
119 HD23 LEU 13 HD23 LEU 13 4.769 3.313 -4.979
120 H GLY 14 H GLY 14 2.597 7.385 -5.515
121 HA2 GLY 14 HA2 GLY 14 1.761 7.382 -7.643
122 HA3 GLY 14 HA3 GLY 14 3.358 7.880 -8.180
123 H MET 15 H MET 15 2.259 4.876 -6.631
124 HA MET 15 HA MET 15 3.719 3.174 -8.425
125 HB2 MET 15 HB2 MET 15 2.661 1.359 -7.051
126 HB3 MET 15 HB3 MET 15 3.483 2.571 -6.078
127 HG2 MET 15 HG2 MET 15 1.263 3.644 -5.630
128 HG3 MET 15 HG3 MET 15 0.498 2.328 -6.511
129 HE1 MET 15 HE1 MET 15 2.791 3.185 -3.400
130 HE2 MET 15 HE2 MET 15 3.648 1.847 -4.167
131 HE3 MET 15 HE3 MET 15 2.849 1.613 -2.609
132 H SER 16 H SER 16 2.375 1.137 -9.208
133 HA SER 16 HA SER 16 0.632 1.893 -11.284
134 HB2 SER 16 HB2 SER 16 0.951 -0.828 -9.946
135 HB3 SER 16 HB3 SER 16 0.177 -0.552 -11.502
136 HG SER 16 HG SER 16 2.620 0.575 -11.506
137 H GLU 17 H GLU 17 -1.668 1.747 -11.507
138 HA GLU 17 HA GLU 17 -3.141 2.506 -9.217
139 HB2 GLU 17 HB2 GLU 17 -4.012 1.663 -11.990
140 HB3 GLU 17 HB3 GLU 17 -5.181 2.103 -10.738
141 HG2 GLU 17 HG2 GLU 17 -4.160 4.303 -10.496
142 HG3 GLU 17 HG3 GLU 17 -2.929 3.892 -11.690
143 H GLU 18 H GLU 18 -2.636 -0.596 -10.734
144 HA GLU 18 HA GLU 18 -4.483 -2.148 -9.280
145 HB2 GLU 18 HB2 GLU 18 -3.333 -2.886 -11.364
146 HB3 GLU 18 HB3 GLU 18 -1.807 -2.948 -10.493
147 HG2 GLU 18 HG2 GLU 18 -2.618 -4.780 -9.101
148 HG3 GLU 18 HG3 GLU 18 -4.220 -4.657 -9.824
149 H CYS 19 H CYS 19 -1.326 -0.817 -8.434
150 HA CYS 19 HA CYS 19 -0.532 -2.773 -6.524
151 HB2 CYS 19 HB2 CYS 19 1.056 -1.080 -7.655
152 HB3 CYS 19 HB3 CYS 19 0.380 0.137 -6.605
153 H ARG 20 H ARG 20 -2.023 0.475 -6.211
154 HA ARG 20 HA ARG 20 -2.061 0.502 -3.361
155 HB2 ARG 20 HB2 ARG 20 -4.220 2.037 -4.821
156 HB3 ARG 20 HB3 ARG 20 -3.286 2.492 -3.404
157 HG2 ARG 20 HG2 ARG 20 -2.430 3.943 -4.988
158 HG3 ARG 20 HG3 ARG 20 -1.291 2.617 -5.138
159 HD2 ARG 20 HD2 ARG 20 -1.928 3.370 -7.321
160 HD3 ARG 20 HD3 ARG 20 -2.610 1.761 -7.026
161 HE ARG 20 HE ARG 20 -4.757 2.716 -6.791
162 HH11 ARG 20 HH11 ARG 20 -2.356 5.114 -7.811
163 HH12 ARG 20 HH12 ARG 20 -3.555 6.214 -8.407
164 HH21 ARG 20 HH21 ARG 20 -6.277 4.160 -7.622
165 HH22 ARG 20 HH22 ARG 20 -5.771 5.671 -8.300
166 H GLN 21 H GLN 21 -4.311 -0.675 -5.770
167 HA GLN 21 HA GLN 21 -6.548 -1.206 -4.146
168 HB2 GLN 21 HB2 GLN 21 -5.616 -2.597 -6.696
169 HB3 GLN 21 HB3 GLN 21 -7.218 -2.792 -5.979
170 HG2 GLN 21 HG2 GLN 21 -7.783 -0.503 -6.412
171 HG3 GLN 21 HG3 GLN 21 -6.121 -0.107 -6.849
172 HE21 GLN 21 HE21 GLN 21 -6.696 0.713 -8.837
173 HE22 GLN 21 HE22 GLN 21 -7.213 -0.276 -10.155
174 H ARG 22 H ARG 22 -3.664 -3.073 -4.970
175 HA ARG 22 HA ARG 22 -4.426 -5.494 -3.622
176 HB2 ARG 22 HB2 ARG 22 -1.898 -4.466 -4.904
177 HB3 ARG 22 HB3 ARG 22 -1.733 -5.781 -3.752
178 HG2 ARG 22 HG2 ARG 22 -1.865 -6.624 -6.056
179 HG3 ARG 22 HG3 ARG 22 -3.207 -7.199 -5.070
180 HD2 ARG 22 HD2 ARG 22 -4.626 -5.381 -6.067
181 HD3 ARG 22 HD3 ARG 22 -3.291 -5.004 -7.155
182 HE ARG 22 HE ARG 22 -3.604 -7.575 -7.700
183 HH11 ARG 22 HH11 ARG 22 -6.077 -5.076 -7.312
184 HH12 ARG 22 HH12 ARG 22 -7.196 -5.835 -8.394
185 HH21 ARG 22 HH21 ARG 22 -5.105 -8.553 -9.155
186 HH22 ARG 22 HH22 ARG 22 -6.640 -7.798 -9.433
187 H LEU 23 H LEU 23 -2.607 -2.582 -2.731
188 HA LEU 23 HA LEU 23 -1.486 -3.743 -0.354
189 HB2 LEU 23 HB2 LEU 23 -1.552 -0.887 -1.333
190 HB3 LEU 23 HB3 LEU 23 -0.578 -1.464 0.003
191 HG LEU 23 HG LEU 23 -0.293 -2.314 -2.900
192 HD11 LEU 23 HD11 LEU 23 1.861 -1.211 -2.879
193 HD12 LEU 23 HD12 LEU 23 1.575 -0.659 -1.226
194 HD13 LEU 23 HD13 LEU 23 0.553 -0.076 -2.544
195 HD21 LEU 23 HD21 LEU 23 0.209 -4.202 -1.472
196 HD22 LEU 23 HD22 LEU 23 1.322 -3.219 -0.515
197 HD23 LEU 23 HD23 LEU 23 1.687 -3.581 -2.204
198 H GLU 24 H GLU 24 -3.973 -1.161 -0.892
199 HA GLU 24 HA GLU 24 -4.763 -0.849 1.767
200 HB2 GLU 24 HB2 GLU 24 -6.370 -0.500 -0.782
201 HB3 GLU 24 HB3 GLU 24 -7.024 -0.107 0.808
202 HG2 GLU 24 HG2 GLU 24 -5.107 1.513 1.108
203 HG3 GLU 24 HG3 GLU 24 -4.644 1.190 -0.568
204 H LYS 25 H LYS 25 -5.544 -3.412 -0.507
205 HA LYS 25 HA LYS 25 -7.791 -4.516 0.880
206 HB2 LYS 25 HB2 LYS 25 -7.137 -4.896 -1.557
207 HB3 LYS 25 HB3 LYS 25 -5.856 -5.952 -0.980
208 HG2 LYS 25 HG2 LYS 25 -7.638 -7.391 0.095
209 HG3 LYS 25 HG3 LYS 25 -8.846 -6.363 -0.678
210 HD2 LYS 25 HD2 LYS 25 -8.526 -8.346 -2.034
211 HD3 LYS 25 HD3 LYS 25 -7.881 -6.953 -2.908
212 HE2 LYS 25 HE2 LYS 25 -6.353 -8.847 -3.129
213 HE3 LYS 25 HE3 LYS 25 -5.580 -7.596 -2.153
214 HZ1 LYS 25 HZ1 LYS 25 -6.236 -8.864 -0.150
215 HZ2 LYS 25 HZ2 LYS 25 -5.234 -9.760 -1.175
216 HZ3 LYS 25 HZ3 LYS 25 -6.892 -10.073 -1.140
217 H MET 26 H MET 26 -4.322 -5.370 0.675
218 HA MET 26 HA MET 26 -4.252 -7.462 2.566
219 HB2 MET 26 HB2 MET 26 -2.068 -5.558 1.634
220 HB3 MET 26 HB3 MET 26 -1.772 -7.006 2.588
221 HG2 MET 26 HG2 MET 26 -2.570 -8.407 0.781
222 HG3 MET 26 HG3 MET 26 -3.057 -7.003 -0.150
223 HE1 MET 26 HE1 MET 26 0.008 -8.908 1.408
224 HE2 MET 26 HE2 MET 26 0.360 -7.255 1.922
225 HE3 MET 26 HE3 MET 26 1.365 -8.036 0.703
226 H CYS 27 H CYS 27 -4.109 -4.009 2.907
227 HA CYS 27 HA CYS 27 -3.046 -3.822 5.542
228 HB2 CYS 27 HB2 CYS 27 -2.862 -1.988 3.994
229 HB3 CYS 27 HB3 CYS 27 -4.603 -1.917 3.785
230 H LYS 28 H LYS 28 -6.336 -3.656 4.211
231 HA LYS 28 HA LYS 28 -7.523 -3.131 6.813
232 HB2 LYS 28 HB2 LYS 28 -8.783 -3.490 4.063
233 HB3 LYS 28 HB3 LYS 28 -9.681 -3.075 5.523
234 HG2 LYS 28 HG2 LYS 28 -8.433 -0.978 5.737
235 HG3 LYS 28 HG3 LYS 28 -7.456 -1.384 4.324
236 HD2 LYS 28 HD2 LYS 28 -10.473 -0.919 4.313
237 HD3 LYS 28 HD3 LYS 28 -9.264 0.259 3.798
238 HE2 LYS 28 HE2 LYS 28 -8.557 -1.272 1.977
239 HE3 LYS 28 HE3 LYS 28 -9.765 -2.448 2.498
240 HZ1 LYS 28 HZ1 LYS 28 -10.317 0.280 1.451
241 HZ2 LYS 28 HZ2 LYS 28 -11.491 -0.807 1.993
242 HZ3 LYS 28 HZ3 LYS 28 -10.567 -1.175 0.628
243 H GLU 29 H GLU 29 -6.973 -5.909 4.781
244 HA GLU 29 HA GLU 29 -8.720 -7.691 6.301
245 HB2 GLU 29 HB2 GLU 29 -6.623 -8.309 4.169
246 HB3 GLU 29 HB3 GLU 29 -7.692 -9.505 4.905
247 HG2 GLU 29 HG2 GLU 29 -9.650 -8.333 3.946
248 HG3 GLU 29 HG3 GLU 29 -8.573 -7.148 3.208
249 H GLY 30 H GLY 30 -5.206 -7.632 5.607
250 HA2 GLY 30 HA2 GLY 30 -4.556 -9.140 8.036
251 HA3 GLY 30 HA3 GLY 30 -3.450 -8.650 6.761
252 H THR 31 H THR 31 -2.164 -6.901 7.104
253 HA THR 31 HA THR 31 -2.848 -4.943 9.213
254 HB THR 31 HB THR 31 -0.404 -4.951 9.947
255 HG1 THR 31 HG1 THR 31 0.408 -7.319 9.361
256 HG21 THR 31 HG21 THR 31 -0.539 -6.941 11.390
257 HG22 THR 31 HG22 THR 31 -1.849 -7.587 10.399
258 HG23 THR 31 HG23 THR 31 -2.098 -6.113 11.340
259 H SER 32 H SER 32 -1.900 -2.901 8.935
260 HA SER 32 HA SER 32 -1.422 -1.941 6.335
261 HB2 SER 32 HB2 SER 32 -2.194 -0.461 8.161
262 HB3 SER 32 HB3 SER 32 -0.671 -0.678 9.017
263 HG SER 32 HG SER 32 0.378 0.343 7.219
264 H GLU 33 H GLU 33 0.706 -3.225 8.807
265 HA GLU 33 HA GLU 33 3.187 -2.307 7.786
266 HB2 GLU 33 HB2 GLU 33 2.635 -4.729 9.546
267 HB3 GLU 33 HB3 GLU 33 4.204 -3.976 9.300
268 HG2 GLU 33 HG2 GLU 33 3.527 -3.172 11.392
269 HG3 GLU 33 HG3 GLU 33 3.152 -1.841 10.301
270 H ASP 34 H ASP 34 1.286 -5.224 7.284
271 HA ASP 34 HA ASP 34 3.089 -6.750 5.736
272 HB2 ASP 34 HB2 ASP 34 1.101 -7.711 6.816
273 HB3 ASP 34 HB3 ASP 34 0.041 -6.703 5.840
274 H ALA 35 H ALA 35 0.641 -4.355 4.890
275 HA ALA 35 HA ALA 35 0.777 -4.612 2.056
276 HB1 ALA 35 HB1 ALA 35 -0.301 -2.365 3.785
277 HB2 ALA 35 HB2 ALA 35 -1.202 -3.785 3.241
278 HB3 ALA 35 HB3 ALA 35 -0.634 -2.596 2.065
279 H GLU 36 H GLU 36 2.100 -2.180 4.326
280 HA GLU 36 HA GLU 36 3.251 -0.501 2.348
281 HB2 GLU 36 HB2 GLU 36 4.336 0.691 4.199
282 HB3 GLU 36 HB3 GLU 36 2.641 0.368 4.551
283 HG2 GLU 36 HG2 GLU 36 3.354 -1.593 5.920
284 HG3 GLU 36 HG3 GLU 36 5.032 -1.119 5.662
285 H ARG 37 H ARG 37 4.447 -3.288 4.097
286 HA ARG 37 HA ARG 37 7.178 -3.195 3.499
287 HB2 ARG 37 HB2 ARG 37 6.054 -4.882 4.995
288 HB3 ARG 37 HB3 ARG 37 5.390 -5.668 3.565
289 HG2 ARG 37 HG2 ARG 37 7.658 -6.211 2.789
290 HG3 ARG 37 HG3 ARG 37 8.347 -5.370 4.180
291 HD2 ARG 37 HD2 ARG 37 7.135 -7.005 5.667
292 HD3 ARG 37 HD3 ARG 37 6.665 -7.894 4.215
293 HE ARG 37 HE ARG 37 9.384 -7.678 4.012
294 HH11 ARG 37 HH11 ARG 37 7.247 -8.992 6.504
295 HH12 ARG 37 HH12 ARG 37 8.407 -10.163 7.041
296 HH21 ARG 37 HH21 ARG 37 10.899 -9.194 4.763
297 HH22 ARG 37 HH22 ARG 37 10.478 -10.274 6.052
298 H MET 38 H MET 38 4.485 -4.644 1.632
299 HA MET 38 HA MET 38 5.982 -5.295 -0.660
300 HB2 MET 38 HB2 MET 38 2.988 -4.821 -0.433
301 HB3 MET 38 HB3 MET 38 3.814 -5.697 -1.720
302 HG2 MET 38 HG2 MET 38 3.563 -6.536 1.183
303 HG3 MET 38 HG3 MET 38 2.800 -7.290 -0.218
304 HE1 MET 38 HE1 MET 38 4.255 -8.520 -2.161
305 HE2 MET 38 HE2 MET 38 6.001 -8.744 -2.056
306 HE3 MET 38 HE3 MET 38 5.330 -7.126 -2.274
307 H ALA 39 H ALA 39 4.421 -2.307 0.358
308 HA ALA 39 HA ALA 39 4.141 -1.000 -2.122
309 HB1 ALA 39 HB1 ALA 39 4.006 1.078 -0.815
310 HB2 ALA 39 HB2 ALA 39 4.655 0.242 0.600
311 HB3 ALA 39 HB3 ALA 39 3.079 -0.215 -0.047
312 H ARG 40 H ARG 40 6.870 -1.156 0.127
313 HA ARG 40 HA ARG 40 8.553 0.570 -1.494
314 HB2 ARG 40 HB2 ARG 40 10.283 0.069 0.320
315 HB3 ARG 40 HB3 ARG 40 8.834 0.929 0.824
316 HG2 ARG 40 HG2 ARG 40 7.907 -1.201 1.708
317 HG3 ARG 40 HG3 ARG 40 9.400 -2.018 1.249
318 HD2 ARG 40 HD2 ARG 40 10.680 -0.703 2.827
319 HD3 ARG 40 HD3 ARG 40 9.285 0.320 3.185
320 HE ARG 40 HE ARG 40 8.383 -1.361 4.501
321 HH11 ARG 40 HH11 ARG 40 11.303 -2.568 2.953
322 HH12 ARG 40 HH12 ARG 40 11.411 -3.962 3.973
323 HH21 ARG 40 HH21 ARG 40 8.565 -3.165 5.863
324 HH22 ARG 40 HH22 ARG 40 9.854 -4.305 5.630
325 H ASN 41 H ASN 41 7.653 -2.442 -2.150
326 HA ASN 41 HA ASN 41 10.064 -2.697 -3.835
327 HB2 ASN 41 HB2 ASN 41 10.142 -5.156 -3.628
328 HB3 ASN 41 HB3 ASN 41 10.456 -4.387 -2.081
329 HD21 ASN 41 HD21 ASN 41 9.019 -4.670 -0.421
330 HD22 ASN 41 HD22 ASN 41 7.703 -5.774 -0.471
331 H CYS 42 H CYS 42 6.925 -2.100 -3.796
332 HA CYS 42 HA CYS 42 5.770 -3.919 -5.673
333 HB2 CYS 42 HB2 CYS 42 4.315 -2.586 -4.238
334 HB3 CYS 42 HB3 CYS 42 4.959 -1.080 -4.887
335 H GLU 43 H GLU 43 7.578 -0.926 -5.996
336 HA GLU 43 HA GLU 43 7.855 -1.184 -8.861
337 HB2 GLU 43 HB2 GLU 43 5.585 -0.167 -8.638
338 HB3 GLU 43 HB3 GLU 43 6.271 1.159 -7.700
339 HG2 GLU 43 HG2 GLU 43 7.555 1.910 -9.637
340 HG3 GLU 43 HG3 GLU 43 6.980 0.535 -10.582
341 H SER 44 H SER 44 7.933 1.235 -6.248
342 HA SER 44 HA SER 44 10.565 2.215 -6.980
343 HB2 SER 44 HB2 SER 44 8.771 2.877 -4.609
344 HB3 SER 44 HB3 SER 44 10.241 3.753 -5.064
345 HG SER 44 HG SER 44 8.851 3.709 -7.235
Start of MODEL 12
1 H1 ALA 1 H1 ALA 1 -2.627 4.508 12.974
2 H2 ALA 1 H2 ALA 1 -3.965 4.174 13.941
3 H3 ALA 1 H3 ALA 1 -3.133 5.638 14.122
4 HA ALA 1 HA ALA 1 -5.215 5.940 12.929
5 HB1 ALA 1 HB1 ALA 1 -4.266 7.227 11.045
6 HB2 ALA 1 HB2 ALA 1 -2.736 6.364 11.218
7 HB3 ALA 1 HB3 ALA 1 -3.290 7.436 12.502
8 HA PRO 2 HA PRO 2 -6.456 2.544 10.272
9 HB2 PRO 2 HB2 PRO 2 -8.459 3.669 8.779
10 HB3 PRO 2 HB3 PRO 2 -8.632 3.368 10.522
11 HG2 PRO 2 HG2 PRO 2 -7.905 5.940 9.135
12 HG3 PRO 2 HG3 PRO 2 -9.077 5.674 10.447
13 HD2 PRO 2 HD2 PRO 2 -6.589 6.609 10.937
14 HD3 PRO 2 HD3 PRO 2 -7.428 5.543 12.085
15 H CYS 3 H CYS 3 -4.221 2.748 9.263
16 HA CYS 3 HA CYS 3 -2.988 2.237 7.486
17 HB2 CYS 3 HB2 CYS 3 -5.283 1.134 6.832
18 HB3 CYS 3 HB3 CYS 3 -5.373 2.426 5.646
19 H GLU 4 H GLU 4 -3.599 5.073 8.239
20 HA GLU 4 HA GLU 4 -3.917 6.711 5.963
21 HB2 GLU 4 HB2 GLU 4 -2.772 7.335 8.712
22 HB3 GLU 4 HB3 GLU 4 -3.152 8.558 7.506
23 HG2 GLU 4 HG2 GLU 4 -5.141 6.688 8.829
24 HG3 GLU 4 HG3 GLU 4 -4.912 8.393 9.212
25 H ASP 5 H ASP 5 -1.019 5.796 7.813
26 HA ASP 5 HA ASP 5 0.968 7.206 6.443
27 HB2 ASP 5 HB2 ASP 5 1.393 6.130 8.594
28 HB3 ASP 5 HB3 ASP 5 1.051 4.539 7.927
29 H LEU 6 H LEU 6 -0.470 4.068 5.782
30 HA LEU 6 HA LEU 6 1.240 3.330 3.594
31 HB2 LEU 6 HB2 LEU 6 -0.044 1.810 5.196
32 HB3 LEU 6 HB3 LEU 6 -1.491 2.228 4.312
33 HG LEU 6 HG LEU 6 0.876 0.895 2.949
34 HD11 LEU 6 HD11 LEU 6 -1.466 -0.472 4.270
35 HD12 LEU 6 HD12 LEU 6 0.204 -0.480 4.839
36 HD13 LEU 6 HD13 LEU 6 -0.203 -1.245 3.310
37 HD21 LEU 6 HD21 LEU 6 -2.076 0.947 2.200
38 HD22 LEU 6 HD22 LEU 6 -0.803 0.095 1.316
39 HD23 LEU 6 HD23 LEU 6 -0.793 1.855 1.399
40 H LYS 7 H LYS 7 -1.979 4.703 3.968
41 HA LYS 7 HA LYS 7 -2.808 4.460 1.258
42 HB2 LYS 7 HB2 LYS 7 -4.374 4.504 3.131
43 HB3 LYS 7 HB3 LYS 7 -3.888 6.145 3.531
44 HG2 LYS 7 HG2 LYS 7 -4.900 7.008 1.514
45 HG3 LYS 7 HG3 LYS 7 -5.214 5.373 0.922
46 HD2 LYS 7 HD2 LYS 7 -7.239 6.507 1.877
47 HD3 LYS 7 HD3 LYS 7 -6.842 4.975 2.656
48 HE2 LYS 7 HE2 LYS 7 -5.829 6.184 4.547
49 HE3 LYS 7 HE3 LYS 7 -6.149 7.725 3.749
50 HZ1 LYS 7 HZ1 LYS 7 -8.239 5.789 4.585
51 HZ2 LYS 7 HZ2 LYS 7 -8.498 7.330 3.940
52 HZ3 LYS 7 HZ3 LYS 7 -7.788 7.159 5.464
53 H GLU 8 H GLU 8 -1.276 7.042 3.091
54 HA GLU 8 HA GLU 8 -1.401 8.994 1.002
55 HB2 GLU 8 HB2 GLU 8 0.086 10.358 2.309
56 HB3 GLU 8 HB3 GLU 8 -1.074 9.622 3.411
57 HG2 GLU 8 HG2 GLU 8 0.603 7.978 4.110
58 HG3 GLU 8 HG3 GLU 8 1.767 8.651 2.969
59 H ARG 9 H ARG 9 0.875 6.399 1.887
60 HA ARG 9 HA ARG 9 3.021 7.099 0.178
61 HB2 ARG 9 HB2 ARG 9 2.065 4.450 1.279
62 HB3 ARG 9 HB3 ARG 9 3.404 4.501 0.141
63 HG2 ARG 9 HG2 ARG 9 4.651 5.959 1.687
64 HG3 ARG 9 HG3 ARG 9 3.319 5.863 2.846
65 HD2 ARG 9 HD2 ARG 9 5.265 4.264 3.268
66 HD3 ARG 9 HD3 ARG 9 3.665 3.524 3.188
67 HE ARG 9 HE ARG 9 4.259 2.423 1.270
68 HH11 ARG 9 HH11 ARG 9 6.836 4.729 1.982
69 HH12 ARG 9 HH12 ARG 9 7.894 4.074 0.779
70 HH21 ARG 9 HH21 ARG 9 5.651 1.667 -0.350
71 HH22 ARG 9 HH22 ARG 9 7.220 2.358 -0.524
72 H LEU 10 H LEU 10 -0.072 5.551 -0.485
73 HA LEU 10 HA LEU 10 0.466 4.420 -3.011
74 HB2 LEU 10 HB2 LEU 10 -2.169 5.584 -2.041
75 HB3 LEU 10 HB3 LEU 10 -1.972 4.413 -3.335
76 HG LEU 10 HG LEU 10 -1.422 3.914 -0.383
77 HD11 LEU 10 HD11 LEU 10 -3.358 2.441 -0.466
78 HD12 LEU 10 HD12 LEU 10 -3.647 2.884 -2.152
79 HD13 LEU 10 HD13 LEU 10 -3.792 4.098 -0.877
80 HD21 LEU 10 HD21 LEU 10 -1.087 1.556 -0.991
81 HD22 LEU 10 HD22 LEU 10 0.120 2.590 -1.747
82 HD23 LEU 10 HD23 LEU 10 -1.227 1.963 -2.703
83 H LYS 11 H LYS 11 -0.853 7.594 -2.134
84 HA LYS 11 HA LYS 11 -0.978 8.543 -4.857
85 HB2 LYS 11 HB2 LYS 11 -1.913 10.592 -3.898
86 HB3 LYS 11 HB3 LYS 11 -2.706 9.174 -3.224
87 HG2 LYS 11 HG2 LYS 11 -1.281 9.388 -1.180
88 HG3 LYS 11 HG3 LYS 11 -0.587 10.865 -1.856
89 HD2 LYS 11 HD2 LYS 11 -2.900 11.871 -1.886
90 HD3 LYS 11 HD3 LYS 11 -3.502 10.418 -1.082
91 HE2 LYS 11 HE2 LYS 11 -1.959 10.872 0.816
92 HE3 LYS 11 HE3 LYS 11 -1.440 12.358 0.018
93 HZ1 LYS 11 HZ1 LYS 11 -4.175 11.735 0.977
94 HZ2 LYS 11 HZ2 LYS 11 -3.737 13.136 0.142
95 HZ3 LYS 11 HZ3 LYS 11 -3.091 12.833 1.673
96 H LYS 12 H LYS 12 1.242 8.836 -2.165
97 HA LYS 12 HA LYS 12 2.580 11.228 -3.052
98 HB2 LYS 12 HB2 LYS 12 2.449 10.536 -0.658
99 HB3 LYS 12 HB3 LYS 12 3.474 9.151 -1.026
100 HG2 LYS 12 HG2 LYS 12 5.295 10.767 -1.710
101 HG3 LYS 12 HG3 LYS 12 4.259 12.084 -1.150
102 HD2 LYS 12 HD2 LYS 12 5.291 9.793 0.543
103 HD3 LYS 12 HD3 LYS 12 5.929 11.435 0.555
104 HE2 LYS 12 HE2 LYS 12 3.749 12.267 1.398
105 HE3 LYS 12 HE3 LYS 12 3.117 10.619 1.382
106 HZ1 LYS 12 HZ1 LYS 12 3.822 11.286 3.594
107 HZ2 LYS 12 HZ2 LYS 12 5.398 11.570 3.044
108 HZ3 LYS 12 HZ3 LYS 12 4.766 10.002 3.030
109 H LEU 13 H LEU 13 3.233 7.765 -3.147
110 HA LEU 13 HA LEU 13 5.823 8.006 -4.386
111 HB2 LEU 13 HB2 LEU 13 5.141 6.178 -2.813
112 HB3 LEU 13 HB3 LEU 13 4.001 5.599 -4.012
113 HG LEU 13 HG LEU 13 5.907 5.031 -5.526
114 HD11 LEU 13 HD11 LEU 13 7.544 6.675 -4.753
115 HD12 LEU 13 HD12 LEU 13 8.201 5.041 -4.676
116 HD13 LEU 13 HD13 LEU 13 7.664 5.846 -3.198
117 HD21 LEU 13 HD21 LEU 13 6.009 3.807 -2.757
118 HD22 LEU 13 HD22 LEU 13 6.738 3.105 -4.203
119 HD23 LEU 13 HD23 LEU 13 4.990 3.299 -4.107
120 H GLY 14 H GLY 14 2.490 7.729 -5.397
121 HA2 GLY 14 HA2 GLY 14 1.443 7.803 -7.427
122 HA3 GLY 14 HA3 GLY 14 2.959 8.385 -8.100
123 H MET 15 H MET 15 1.970 5.283 -6.626
124 HA MET 15 HA MET 15 3.447 3.697 -8.498
125 HB2 MET 15 HB2 MET 15 2.587 1.809 -7.130
126 HB3 MET 15 HB3 MET 15 3.264 3.077 -6.116
127 HG2 MET 15 HG2 MET 15 0.951 3.902 -5.663
128 HG3 MET 15 HG3 MET 15 0.321 2.579 -6.621
129 HE1 MET 15 HE1 MET 15 2.643 1.791 -2.691
130 HE2 MET 15 HE2 MET 15 2.449 3.422 -3.342
131 HE3 MET 15 HE3 MET 15 3.446 2.239 -4.193
132 H SER 16 H SER 16 1.998 1.577 -9.164
133 HA SER 16 HA SER 16 0.109 2.390 -11.125
134 HB2 SER 16 HB2 SER 16 0.591 -0.386 -9.946
135 HB3 SER 16 HB3 SER 16 -0.228 -0.034 -11.469
136 HG SER 16 HG SER 16 1.646 0.196 -12.408
137 H GLU 17 H GLU 17 -2.201 2.160 -11.117
138 HA GLU 17 HA GLU 17 -3.652 2.448 -8.709
139 HB2 GLU 17 HB2 GLU 17 -4.632 1.419 -11.413
140 HB3 GLU 17 HB3 GLU 17 -5.680 1.900 -10.074
141 HG2 GLU 17 HG2 GLU 17 -4.711 4.186 -10.191
142 HG3 GLU 17 HG3 GLU 17 -3.782 3.687 -11.605
143 H GLU 18 H GLU 18 -2.914 -0.345 -10.732
144 HA GLU 18 HA GLU 18 -4.186 -2.408 -9.411
145 HB2 GLU 18 HB2 GLU 18 -3.041 -2.632 -11.585
146 HB3 GLU 18 HB3 GLU 18 -1.479 -2.423 -10.800
147 HG2 GLU 18 HG2 GLU 18 -1.934 -4.537 -9.500
148 HG3 GLU 18 HG3 GLU 18 -3.397 -4.756 -10.464
149 H CYS 19 H CYS 19 -1.048 -0.848 -8.711
150 HA CYS 19 HA CYS 19 -0.098 -2.648 -6.747
151 HB2 CYS 19 HB2 CYS 19 1.294 -0.762 -7.869
152 HB3 CYS 19 HB3 CYS 19 0.441 0.362 -6.834
153 H ARG 20 H ARG 20 -1.897 0.441 -6.494
154 HA ARG 20 HA ARG 20 -2.176 0.661 -3.729
155 HB2 ARG 20 HB2 ARG 20 -4.266 1.433 -5.816
156 HB3 ARG 20 HB3 ARG 20 -4.156 2.047 -4.167
157 HG2 ARG 20 HG2 ARG 20 -1.981 3.104 -4.772
158 HG3 ARG 20 HG3 ARG 20 -2.249 2.590 -6.450
159 HD2 ARG 20 HD2 ARG 20 -4.180 4.248 -4.822
160 HD3 ARG 20 HD3 ARG 20 -3.014 4.929 -5.961
161 HE ARG 20 HE ARG 20 -4.789 2.963 -7.121
162 HH11 ARG 20 HH11 ARG 20 -4.493 6.392 -6.317
163 HH12 ARG 20 HH12 ARG 20 -5.671 6.883 -7.489
164 HH21 ARG 20 HH21 ARG 20 -6.363 3.660 -8.631
165 HH22 ARG 20 HH22 ARG 20 -6.722 5.351 -8.788
166 H GLN 21 H GLN 21 -4.415 -0.795 -6.080
167 HA GLN 21 HA GLN 21 -6.463 -1.385 -4.288
168 HB2 GLN 21 HB2 GLN 21 -5.810 -2.535 -7.031
169 HB3 GLN 21 HB3 GLN 21 -7.282 -2.963 -6.160
170 HG2 GLN 21 HG2 GLN 21 -8.074 -0.698 -6.215
171 HG3 GLN 21 HG3 GLN 21 -6.536 -0.106 -6.841
172 HE21 GLN 21 HE21 GLN 21 -6.059 -0.400 -9.022
173 HE22 GLN 21 HE22 GLN 21 -7.240 -0.851 -10.184
174 H ARG 22 H ARG 22 -3.605 -3.200 -5.195
175 HA ARG 22 HA ARG 22 -4.167 -5.658 -3.870
176 HB2 ARG 22 HB2 ARG 22 -1.589 -4.325 -4.779
177 HB3 ARG 22 HB3 ARG 22 -1.580 -5.884 -3.981
178 HG2 ARG 22 HG2 ARG 22 -2.947 -6.831 -5.797
179 HG3 ARG 22 HG3 ARG 22 -2.979 -5.256 -6.596
180 HD2 ARG 22 HD2 ARG 22 -0.518 -5.344 -6.856
181 HD3 ARG 22 HD3 ARG 22 -0.488 -6.916 -6.045
182 HE ARG 22 HE ARG 22 -2.238 -7.188 -8.168
183 HH11 ARG 22 HH11 ARG 22 1.190 -6.436 -7.821
184 HH12 ARG 22 HH12 ARG 22 1.609 -7.109 -9.363
185 HH21 ARG 22 HH21 ARG 22 -1.672 -8.031 -10.193
186 HH22 ARG 22 HH22 ARG 22 -0.017 -8.014 -10.711
187 H LEU 23 H LEU 23 -2.558 -2.626 -2.932
188 HA LEU 23 HA LEU 23 -1.425 -3.646 -0.489
189 HB2 LEU 23 HB2 LEU 23 -1.655 -0.855 -1.635
190 HB3 LEU 23 HB3 LEU 23 -0.697 -1.260 -0.227
191 HG LEU 23 HG LEU 23 -0.256 -2.312 -3.033
192 HD11 LEU 23 HD11 LEU 23 1.824 -1.047 -2.999
193 HD12 LEU 23 HD12 LEU 23 1.371 -0.359 -1.438
194 HD13 LEU 23 HD13 LEU 23 0.401 -0.015 -2.872
195 HD21 LEU 23 HD21 LEU 23 1.790 -3.357 -2.190
196 HD22 LEU 23 HD22 LEU 23 0.355 -4.031 -1.430
197 HD23 LEU 23 HD23 LEU 23 1.366 -2.887 -0.542
198 H GLU 24 H GLU 24 -3.981 -1.261 -1.182
199 HA GLU 24 HA GLU 24 -4.987 -0.699 1.295
200 HB2 GLU 24 HB2 GLU 24 -6.561 -1.191 -1.272
201 HB3 GLU 24 HB3 GLU 24 -7.204 -0.381 0.155
202 HG2 GLU 24 HG2 GLU 24 -5.678 1.461 -0.118
203 HG3 GLU 24 HG3 GLU 24 -4.832 0.630 -1.429
204 H LYS 25 H LYS 25 -5.573 -3.524 -0.758
205 HA LYS 25 HA LYS 25 -7.638 -4.686 0.799
206 HB2 LYS 25 HB2 LYS 25 -7.039 -5.120 -1.679
207 HB3 LYS 25 HB3 LYS 25 -5.787 -6.197 -1.076
208 HG2 LYS 25 HG2 LYS 25 -7.762 -7.471 -1.698
209 HG3 LYS 25 HG3 LYS 25 -7.522 -7.566 0.053
210 HD2 LYS 25 HD2 LYS 25 -9.279 -5.972 0.459
211 HD3 LYS 25 HD3 LYS 25 -9.398 -5.571 -1.258
212 HE2 LYS 25 HE2 LYS 25 -11.259 -6.992 -0.567
213 HE3 LYS 25 HE3 LYS 25 -10.238 -7.833 -1.732
214 HZ1 LYS 25 HZ1 LYS 25 -10.175 -8.230 1.214
215 HZ2 LYS 25 HZ2 LYS 25 -9.237 -9.072 0.091
216 HZ3 LYS 25 HZ3 LYS 25 -10.917 -9.266 0.104
217 H MET 26 H MET 26 -4.173 -5.456 0.418
218 HA MET 26 HA MET 26 -3.897 -7.497 2.300
219 HB2 MET 26 HB2 MET 26 -1.966 -5.404 1.245
220 HB3 MET 26 HB3 MET 26 -1.443 -6.637 2.379
221 HG2 MET 26 HG2 MET 26 -2.719 -7.331 -0.264
222 HG3 MET 26 HG3 MET 26 -0.985 -7.056 -0.090
223 HE1 MET 26 HE1 MET 26 0.046 -9.944 2.374
224 HE2 MET 26 HE2 MET 26 -0.442 -8.324 2.872
225 HE3 MET 26 HE3 MET 26 0.598 -8.539 1.462
226 H CYS 27 H CYS 27 -3.880 -3.997 2.729
227 HA CYS 27 HA CYS 27 -3.037 -3.906 5.449
228 HB2 CYS 27 HB2 CYS 27 -2.839 -1.961 3.944
229 HB3 CYS 27 HB3 CYS 27 -4.591 -1.869 3.807
230 H LYS 28 H LYS 28 -6.174 -4.071 3.840
231 HA LYS 28 HA LYS 28 -7.732 -3.766 6.243
232 HB2 LYS 28 HB2 LYS 28 -8.478 -4.510 3.389
233 HB3 LYS 28 HB3 LYS 28 -9.664 -4.416 4.687
234 HG2 LYS 28 HG2 LYS 28 -9.171 -2.034 5.012
235 HG3 LYS 28 HG3 LYS 28 -7.920 -2.094 3.770
236 HD2 LYS 28 HD2 LYS 28 -10.876 -2.648 3.280
237 HD3 LYS 28 HD3 LYS 28 -10.098 -1.095 2.977
238 HE2 LYS 28 HE2 LYS 28 -8.634 -2.157 1.291
239 HE3 LYS 28 HE3 LYS 28 -9.404 -3.718 1.601
240 HZ1 LYS 28 HZ1 LYS 28 -10.316 -2.645 -0.360
241 HZ2 LYS 28 HZ2 LYS 28 -10.763 -1.291 0.550
242 HZ3 LYS 28 HZ3 LYS 28 -11.504 -2.781 0.836
243 H GLU 29 H GLU 29 -6.360 -6.481 4.482
244 HA GLU 29 HA GLU 29 -7.989 -8.521 5.712
245 HB2 GLU 29 HB2 GLU 29 -5.234 -8.875 4.455
246 HB3 GLU 29 HB3 GLU 29 -6.418 -10.139 4.762
247 HG2 GLU 29 HG2 GLU 29 -6.501 -7.972 2.670
248 HG3 GLU 29 HG3 GLU 29 -6.428 -9.703 2.430
249 H GLY 30 H GLY 30 -4.535 -7.636 6.047
250 HA2 GLY 30 HA2 GLY 30 -4.489 -8.711 8.804
251 HA3 GLY 30 HA3 GLY 30 -3.091 -8.354 7.800
252 H THR 31 H THR 31 -2.085 -6.503 8.098
253 HA THR 31 HA THR 31 -3.438 -4.189 9.310
254 HB THR 31 HB THR 31 -1.434 -3.712 10.725
255 HG1 THR 31 HG1 THR 31 -0.566 -6.158 9.627
256 HG21 THR 31 HG21 THR 31 -3.305 -4.946 11.788
257 HG22 THR 31 HG22 THR 31 -1.749 -5.441 12.455
258 HG23 THR 31 HG23 THR 31 -2.564 -6.473 11.281
259 H SER 32 H SER 32 -1.956 -2.244 9.154
260 HA SER 32 HA SER 32 -1.246 -1.634 6.529
261 HB2 SER 32 HB2 SER 32 -0.333 -0.269 9.099
262 HB3 SER 32 HB3 SER 32 -0.238 0.427 7.480
263 HG SER 32 HG SER 32 -2.533 0.181 7.382
264 H GLU 33 H GLU 33 0.601 -3.109 9.101
265 HA GLU 33 HA GLU 33 3.214 -2.406 8.314
266 HB2 GLU 33 HB2 GLU 33 2.322 -4.836 9.921
267 HB3 GLU 33 HB3 GLU 33 3.960 -4.178 9.856
268 HG2 GLU 33 HG2 GLU 33 3.129 -2.059 10.857
269 HG3 GLU 33 HG3 GLU 33 1.516 -2.764 10.977
270 H ASP 34 H ASP 34 1.158 -5.169 7.457
271 HA ASP 34 HA ASP 34 3.116 -6.746 6.117
272 HB2 ASP 34 HB2 ASP 34 0.107 -6.699 5.568
273 HB3 ASP 34 HB3 ASP 34 1.225 -8.006 5.177
274 H ALA 35 H ALA 35 0.660 -4.491 4.966
275 HA ALA 35 HA ALA 35 1.223 -4.911 2.192
276 HB1 ALA 35 HB1 ALA 35 -0.578 -3.292 1.829
277 HB2 ALA 35 HB2 ALA 35 -0.592 -2.921 3.554
278 HB3 ALA 35 HB3 ALA 35 -1.044 -4.528 3.000
279 H GLU 36 H GLU 36 2.194 -2.482 4.579
280 HA GLU 36 HA GLU 36 3.002 -0.456 2.734
281 HB2 GLU 36 HB2 GLU 36 4.186 0.594 4.578
282 HB3 GLU 36 HB3 GLU 36 2.642 -0.001 5.173
283 HG2 GLU 36 HG2 GLU 36 3.725 -1.914 6.204
284 HG3 GLU 36 HG3 GLU 36 5.286 -1.439 5.542
285 H ARG 37 H ARG 37 4.590 -3.300 4.097
286 HA ARG 37 HA ARG 37 7.202 -2.868 3.099
287 HB2 ARG 37 HB2 ARG 37 6.622 -4.547 4.850
288 HB3 ARG 37 HB3 ARG 37 5.767 -5.502 3.642
289 HG2 ARG 37 HG2 ARG 37 7.867 -5.892 2.435
290 HG3 ARG 37 HG3 ARG 37 8.732 -4.865 3.578
291 HD2 ARG 37 HD2 ARG 37 8.188 -6.454 5.398
292 HD3 ARG 37 HD3 ARG 37 7.361 -7.493 4.228
293 HE ARG 37 HE ARG 37 10.007 -6.957 3.364
294 HH11 ARG 37 HH11 ARG 37 8.292 -8.904 5.745
295 HH12 ARG 37 HH12 ARG 37 9.522 -10.120 5.811
296 HH21 ARG 37 HH21 ARG 37 11.607 -8.573 3.442
297 HH22 ARG 37 HH22 ARG 37 11.404 -9.931 4.503
298 H MET 38 H MET 38 4.338 -4.503 1.777
299 HA MET 38 HA MET 38 5.491 -5.321 -0.672
300 HB2 MET 38 HB2 MET 38 2.549 -4.803 -0.083
301 HB3 MET 38 HB3 MET 38 3.211 -5.844 -1.336
302 HG2 MET 38 HG2 MET 38 3.232 -6.315 1.653
303 HG3 MET 38 HG3 MET 38 2.390 -7.253 0.421
304 HE1 MET 38 HE1 MET 38 5.506 -8.901 -1.421
305 HE2 MET 38 HE2 MET 38 4.802 -7.327 -1.793
306 HE3 MET 38 HE3 MET 38 3.754 -8.705 -1.449
307 H ALA 39 H ALA 39 4.118 -2.307 0.454
308 HA ALA 39 HA ALA 39 3.815 -1.015 -2.082
309 HB1 ALA 39 HB1 ALA 39 4.225 0.210 0.671
310 HB2 ALA 39 HB2 ALA 39 2.669 -0.210 -0.044
311 HB3 ALA 39 HB3 ALA 39 3.654 1.060 -0.771
312 H ARG 40 H ARG 40 6.412 -1.336 0.269
313 HA ARG 40 HA ARG 40 8.284 0.370 -1.082
314 HB2 ARG 40 HB2 ARG 40 8.749 -1.723 1.082
315 HB3 ARG 40 HB3 ARG 40 9.921 -0.512 0.564
316 HG2 ARG 40 HG2 ARG 40 8.379 1.280 1.338
317 HG3 ARG 40 HG3 ARG 40 7.256 0.045 1.898
318 HD2 ARG 40 HD2 ARG 40 8.435 0.767 3.823
319 HD3 ARG 40 HD3 ARG 40 9.141 -0.795 3.397
320 HE ARG 40 HE ARG 40 10.688 1.107 2.125
321 HH11 ARG 40 HH11 ARG 40 9.895 0.343 5.484
322 HH12 ARG 40 HH12 ARG 40 11.391 0.972 6.097
323 HH21 ARG 40 HH21 ARG 40 12.616 1.941 2.954
324 HH22 ARG 40 HH22 ARG 40 12.932 1.880 4.656
325 H ASN 41 H ASN 41 7.288 -2.945 -1.307
326 HA ASN 41 HA ASN 41 9.576 -3.883 -2.861
327 HB2 ASN 41 HB2 ASN 41 6.933 -5.151 -2.031
328 HB3 ASN 41 HB3 ASN 41 7.979 -5.931 -3.208
329 HD21 ASN 41 HD21 ASN 41 9.208 -4.151 -0.379
330 HD22 ASN 41 HD22 ASN 41 9.791 -5.553 0.435
331 H CYS 42 H CYS 42 6.451 -2.491 -3.359
332 HA CYS 42 HA CYS 42 5.990 -3.069 -6.084
333 HB2 CYS 42 HB2 CYS 42 4.307 -2.146 -4.414
334 HB3 CYS 42 HB3 CYS 42 5.094 -0.581 -4.555
335 H GLU 43 H GLU 43 7.124 0.016 -4.628
336 HA GLU 43 HA GLU 43 9.015 0.375 -6.874
337 HB2 GLU 43 HB2 GLU 43 7.229 2.515 -5.646
338 HB3 GLU 43 HB3 GLU 43 8.522 2.851 -6.785
339 HG2 GLU 43 HG2 GLU 43 6.114 1.115 -7.421
340 HG3 GLU 43 HG3 GLU 43 6.190 2.845 -7.754
341 H SER 44 H SER 44 8.206 2.130 -3.826
342 HA SER 44 HA SER 44 10.911 1.820 -2.791
343 HB2 SER 44 HB2 SER 44 9.905 4.562 -3.698
344 HB3 SER 44 HB3 SER 44 11.407 4.258 -2.817
345 HG SER 44 HG SER 44 11.582 2.698 -4.844
Start of MODEL 13
1 H1 ALA 1 H1 ALA 1 -4.280 4.534 13.736
2 H2 ALA 1 H2 ALA 1 -5.929 4.556 13.374
3 H3 ALA 1 H3 ALA 1 -5.101 6.007 13.647
4 HA ALA 1 HA ALA 1 -5.525 5.663 11.307
5 HB1 ALA 1 HB1 ALA 1 -3.243 6.083 10.505
6 HB2 ALA 1 HB2 ALA 1 -2.585 5.477 12.030
7 HB3 ALA 1 HB3 ALA 1 -3.553 6.949 12.011
8 HA PRO 2 HA PRO 2 -5.268 1.101 10.599
9 HB2 PRO 2 HB2 PRO 2 -7.308 1.589 8.496
10 HB3 PRO 2 HB3 PRO 2 -7.430 0.589 9.955
11 HG2 PRO 2 HG2 PRO 2 -8.803 2.904 9.705
12 HG3 PRO 2 HG3 PRO 2 -8.190 2.331 11.273
13 HD2 PRO 2 HD2 PRO 2 -7.005 4.425 9.444
14 HD3 PRO 2 HD3 PRO 2 -7.214 4.457 11.212
15 H CYS 3 H CYS 3 -6.061 2.941 7.635
16 HA CYS 3 HA CYS 3 -3.646 1.844 6.297
17 HB2 CYS 3 HB2 CYS 3 -6.392 2.368 5.061
18 HB3 CYS 3 HB3 CYS 3 -4.991 1.676 4.242
19 H GLU 4 H GLU 4 -4.532 4.589 7.636
20 HA GLU 4 HA GLU 4 -4.676 6.542 5.594
21 HB2 GLU 4 HB2 GLU 4 -3.739 6.815 8.481
22 HB3 GLU 4 HB3 GLU 4 -4.146 8.166 7.425
23 HG2 GLU 4 HG2 GLU 4 -6.488 7.247 7.251
24 HG3 GLU 4 HG3 GLU 4 -6.040 6.013 8.429
25 H ASP 5 H ASP 5 -1.913 5.377 7.522
26 HA ASP 5 HA ASP 5 0.126 6.987 6.427
27 HB2 ASP 5 HB2 ASP 5 0.430 4.168 7.563
28 HB3 ASP 5 HB3 ASP 5 1.713 5.366 7.398
29 H LEU 6 H LEU 6 -1.154 3.868 5.592
30 HA LEU 6 HA LEU 6 0.695 3.011 3.674
31 HB2 LEU 6 HB2 LEU 6 -0.794 1.524 4.938
32 HB3 LEU 6 HB3 LEU 6 -2.207 2.266 4.237
33 HG LEU 6 HG LEU 6 -1.484 -0.116 3.441
34 HD11 LEU 6 HD11 LEU 6 -2.361 0.204 1.198
35 HD12 LEU 6 HD12 LEU 6 -2.147 1.950 1.341
36 HD13 LEU 6 HD13 LEU 6 -3.297 1.117 2.385
37 HD21 LEU 6 HD21 LEU 6 0.097 -0.255 1.600
38 HD22 LEU 6 HD22 LEU 6 0.896 0.410 3.022
39 HD23 LEU 6 HD23 LEU 6 0.425 1.479 1.700
40 H LYS 7 H LYS 7 -2.525 4.619 3.308
41 HA LYS 7 HA LYS 7 -2.601 4.417 0.468
42 HB2 LYS 7 HB2 LYS 7 -4.252 6.077 2.405
43 HB3 LYS 7 HB3 LYS 7 -4.579 6.002 0.672
44 HG2 LYS 7 HG2 LYS 7 -5.002 3.586 0.826
45 HG3 LYS 7 HG3 LYS 7 -4.603 3.607 2.548
46 HD2 LYS 7 HD2 LYS 7 -7.048 3.591 2.222
47 HD3 LYS 7 HD3 LYS 7 -6.530 5.094 2.989
48 HE2 LYS 7 HE2 LYS 7 -6.733 6.285 0.854
49 HE3 LYS 7 HE3 LYS 7 -7.130 4.781 0.023
50 HZ1 LYS 7 HZ1 LYS 7 -8.765 6.152 2.088
51 HZ2 LYS 7 HZ2 LYS 7 -9.118 4.630 1.448
52 HZ3 LYS 7 HZ3 LYS 7 -9.123 5.985 0.441
53 H GLU 8 H GLU 8 -1.713 7.069 2.667
54 HA GLU 8 HA GLU 8 -1.401 9.107 0.748
55 HB2 GLU 8 HB2 GLU 8 0.002 8.694 3.415
56 HB3 GLU 8 HB3 GLU 8 0.129 10.174 2.466
57 HG2 GLU 8 HG2 GLU 8 -2.452 9.030 3.547
58 HG3 GLU 8 HG3 GLU 8 -1.519 10.303 4.330
59 H ARG 9 H ARG 9 0.863 6.720 2.027
60 HA ARG 9 HA ARG 9 3.233 7.514 0.766
61 HB2 ARG 9 HB2 ARG 9 2.888 5.855 2.688
62 HB3 ARG 9 HB3 ARG 9 2.451 4.663 1.470
63 HG2 ARG 9 HG2 ARG 9 4.700 4.902 0.447
64 HG3 ARG 9 HG3 ARG 9 5.114 6.108 1.667
65 HD2 ARG 9 HD2 ARG 9 4.562 3.164 2.090
66 HD3 ARG 9 HD3 ARG 9 6.075 4.036 2.370
67 HE ARG 9 HE ARG 9 4.028 5.157 3.977
68 HH11 ARG 9 HH11 ARG 9 6.063 2.295 3.844
69 HH12 ARG 9 HH12 ARG 9 5.951 2.007 5.550
70 HH21 ARG 9 HH21 ARG 9 3.838 4.699 6.197
71 HH22 ARG 9 HH22 ARG 9 4.701 3.354 6.873
72 H LEU 10 H LEU 10 0.514 5.517 -0.308
73 HA LEU 10 HA LEU 10 1.676 4.332 -2.604
74 HB2 LEU 10 HB2 LEU 10 -1.275 5.011 -2.224
75 HB3 LEU 10 HB3 LEU 10 -0.609 3.812 -3.322
76 HG LEU 10 HG LEU 10 -0.800 3.668 -0.303
77 HD11 LEU 10 HD11 LEU 10 -1.871 1.806 -2.410
78 HD12 LEU 10 HD12 LEU 10 -2.797 3.016 -1.521
79 HD13 LEU 10 HD13 LEU 10 -2.074 1.659 -0.666
80 HD21 LEU 10 HD21 LEU 10 0.397 1.518 -0.366
81 HD22 LEU 10 HD22 LEU 10 1.426 2.867 -0.829
82 HD23 LEU 10 HD23 LEU 10 0.786 1.784 -2.066
83 H LYS 11 H LYS 11 -0.156 7.314 -2.106
84 HA LYS 11 HA LYS 11 -0.196 8.076 -4.891
85 HB2 LYS 11 HB2 LYS 11 -1.014 9.581 -2.384
86 HB3 LYS 11 HB3 LYS 11 -1.303 10.150 -4.031
87 HG2 LYS 11 HG2 LYS 11 -2.743 8.221 -4.494
88 HG3 LYS 11 HG3 LYS 11 -2.400 7.537 -2.901
89 HD2 LYS 11 HD2 LYS 11 -3.767 10.220 -3.359
90 HD3 LYS 11 HD3 LYS 11 -4.629 8.707 -3.069
91 HE2 LYS 11 HE2 LYS 11 -3.728 8.521 -0.841
92 HE3 LYS 11 HE3 LYS 11 -2.584 9.837 -1.123
93 HZ1 LYS 11 HZ1 LYS 11 -4.523 10.503 0.198
94 HZ2 LYS 11 HZ2 LYS 11 -5.539 10.148 -1.105
95 HZ3 LYS 11 HZ3 LYS 11 -4.381 11.384 -1.236
96 H LYS 12 H LYS 12 1.870 8.722 -2.159
97 HA LYS 12 HA LYS 12 3.196 11.041 -3.237
98 HB2 LYS 12 HB2 LYS 12 2.924 10.279 -0.726
99 HB3 LYS 12 HB3 LYS 12 4.339 9.287 -1.024
100 HG2 LYS 12 HG2 LYS 12 4.254 12.301 -1.404
101 HG3 LYS 12 HG3 LYS 12 4.787 11.520 0.084
102 HD2 LYS 12 HD2 LYS 12 6.646 10.429 -1.193
103 HD3 LYS 12 HD3 LYS 12 6.098 11.254 -2.653
104 HE2 LYS 12 HE2 LYS 12 6.483 13.443 -1.425
105 HE3 LYS 12 HE3 LYS 12 7.273 12.505 -0.157
106 HZ1 LYS 12 HZ1 LYS 12 8.862 11.710 -1.800
107 HZ2 LYS 12 HZ2 LYS 12 8.863 13.397 -1.731
108 HZ3 LYS 12 HZ3 LYS 12 8.096 12.608 -3.010
109 H LEU 13 H LEU 13 3.916 7.554 -3.016
110 HA LEU 13 HA LEU 13 6.346 7.677 -4.547
111 HB2 LEU 13 HB2 LEU 13 4.500 5.309 -3.985
112 HB3 LEU 13 HB3 LEU 13 6.082 5.183 -4.739
113 HG LEU 13 HG LEU 13 5.535 6.058 -1.870
114 HD11 LEU 13 HD11 LEU 13 5.197 3.660 -2.191
115 HD12 LEU 13 HD12 LEU 13 6.625 3.966 -1.208
116 HD13 LEU 13 HD13 LEU 13 6.806 3.501 -2.903
117 HD21 LEU 13 HD21 LEU 13 8.218 5.762 -3.273
118 HD22 LEU 13 HD22 LEU 13 7.979 6.053 -1.547
119 HD23 LEU 13 HD23 LEU 13 7.477 7.268 -2.718
120 H GLY 14 H GLY 14 2.959 7.657 -5.287
121 HA2 GLY 14 HA2 GLY 14 1.794 7.975 -7.219
122 HA3 GLY 14 HA3 GLY 14 3.311 8.467 -7.964
123 H MET 15 H MET 15 2.078 5.428 -6.624
124 HA MET 15 HA MET 15 3.718 3.884 -8.431
125 HB2 MET 15 HB2 MET 15 3.165 2.040 -6.992
126 HB3 MET 15 HB3 MET 15 3.402 3.444 -5.959
127 HG2 MET 15 HG2 MET 15 0.771 3.668 -6.191
128 HG3 MET 15 HG3 MET 15 0.878 1.957 -6.593
129 HE1 MET 15 HE1 MET 15 2.979 1.061 -3.141
130 HE2 MET 15 HE2 MET 15 3.760 1.965 -4.438
131 HE3 MET 15 HE3 MET 15 2.805 0.527 -4.809
132 H SER 16 H SER 16 2.377 1.584 -8.921
133 HA SER 16 HA SER 16 0.504 2.098 -11.005
134 HB2 SER 16 HB2 SER 16 1.159 -0.497 -9.526
135 HB3 SER 16 HB3 SER 16 0.308 -0.379 -11.069
136 HG SER 16 HG SER 16 2.603 -0.852 -11.189
137 H GLU 17 H GLU 17 -1.710 2.127 -10.916
138 HA GLU 17 HA GLU 17 -3.201 2.447 -8.578
139 HB2 GLU 17 HB2 GLU 17 -4.221 1.495 -11.303
140 HB3 GLU 17 HB3 GLU 17 -5.251 1.995 -9.974
141 HG2 GLU 17 HG2 GLU 17 -5.221 3.856 -11.375
142 HG3 GLU 17 HG3 GLU 17 -4.066 4.269 -10.109
143 H GLU 18 H GLU 18 -2.374 -0.473 -10.365
144 HA GLU 18 HA GLU 18 -4.274 -2.244 -9.199
145 HB2 GLU 18 HB2 GLU 18 -3.255 -2.778 -11.366
146 HB3 GLU 18 HB3 GLU 18 -1.646 -2.787 -10.646
147 HG2 GLU 18 HG2 GLU 18 -2.312 -4.763 -9.255
148 HG3 GLU 18 HG3 GLU 18 -3.881 -4.770 -10.057
149 H CYS 19 H CYS 19 -0.888 -1.356 -8.523
150 HA CYS 19 HA CYS 19 -0.281 -3.113 -6.436
151 HB2 CYS 19 HB2 CYS 19 0.608 -0.246 -7.003
152 HB3 CYS 19 HB3 CYS 19 1.224 -1.152 -5.637
153 H ARG 20 H ARG 20 -1.775 0.139 -6.327
154 HA ARG 20 HA ARG 20 -2.044 0.443 -3.571
155 HB2 ARG 20 HB2 ARG 20 -3.993 1.413 -5.713
156 HB3 ARG 20 HB3 ARG 20 -3.888 2.008 -4.054
157 HG2 ARG 20 HG2 ARG 20 -1.524 2.738 -4.584
158 HG3 ARG 20 HG3 ARG 20 -1.879 2.370 -6.282
159 HD2 ARG 20 HD2 ARG 20 -3.511 4.213 -4.534
160 HD3 ARG 20 HD3 ARG 20 -2.256 4.750 -5.659
161 HE ARG 20 HE ARG 20 -4.303 3.150 -6.896
162 HH11 ARG 20 HH11 ARG 20 -3.471 6.416 -5.889
163 HH12 ARG 20 HH12 ARG 20 -4.565 7.159 -7.009
164 HH21 ARG 20 HH21 ARG 20 -5.753 4.169 -8.340
165 HH22 ARG 20 HH22 ARG 20 -5.845 5.898 -8.383
166 H GLN 21 H GLN 21 -4.405 -0.779 -5.912
167 HA GLN 21 HA GLN 21 -6.536 -1.224 -4.228
168 HB2 GLN 21 HB2 GLN 21 -5.752 -2.607 -6.831
169 HB3 GLN 21 HB3 GLN 21 -7.308 -2.873 -6.045
170 HG2 GLN 21 HG2 GLN 21 -7.936 -0.565 -6.330
171 HG3 GLN 21 HG3 GLN 21 -6.323 -0.139 -6.904
172 HE21 GLN 21 HE21 GLN 21 -5.748 -0.640 -9.030
173 HE22 GLN 21 HE22 GLN 21 -6.890 -1.150 -10.215
174 H ARG 22 H ARG 22 -3.754 -3.260 -4.887
175 HA ARG 22 HA ARG 22 -4.559 -5.615 -3.479
176 HB2 ARG 22 HB2 ARG 22 -1.841 -4.572 -4.384
177 HB3 ARG 22 HB3 ARG 22 -2.046 -6.132 -3.620
178 HG2 ARG 22 HG2 ARG 22 -3.396 -6.935 -5.457
179 HG3 ARG 22 HG3 ARG 22 -3.425 -5.332 -6.194
180 HD2 ARG 22 HD2 ARG 22 -1.020 -5.453 -6.630
181 HD3 ARG 22 HD3 ARG 22 -0.909 -6.997 -5.779
182 HE ARG 22 HE ARG 22 -2.770 -7.297 -7.827
183 HH11 ARG 22 HH11 ARG 22 0.694 -6.663 -7.571
184 HH12 ARG 22 HH12 ARG 22 1.055 -7.419 -9.089
185 HH21 ARG 22 HH21 ARG 22 -2.261 -8.296 -9.786
186 HH22 ARG 22 HH22 ARG 22 -0.621 -8.343 -10.342
187 H LEU 23 H LEU 23 -2.730 -2.670 -2.638
188 HA LEU 23 HA LEU 23 -1.566 -3.744 -0.222
189 HB2 LEU 23 HB2 LEU 23 -1.667 -0.920 -1.350
190 HB3 LEU 23 HB3 LEU 23 -0.637 -1.428 -0.030
191 HG LEU 23 HG LEU 23 -0.505 -2.601 -2.817
192 HD11 LEU 23 HD11 LEU 23 1.552 -1.346 -3.148
193 HD12 LEU 23 HD12 LEU 23 1.291 -0.519 -1.608
194 HD13 LEU 23 HD13 LEU 23 0.148 -0.303 -2.935
195 HD21 LEU 23 HD21 LEU 23 1.594 -3.618 -2.129
196 HD22 LEU 23 HD22 LEU 23 0.267 -4.167 -1.112
197 HD23 LEU 23 HD23 LEU 23 1.412 -2.968 -0.500
198 H GLU 24 H GLU 24 -4.003 -1.236 -0.905
199 HA GLU 24 HA GLU 24 -4.903 -0.672 1.664
200 HB2 GLU 24 HB2 GLU 24 -6.498 -0.728 -0.938
201 HB3 GLU 24 HB3 GLU 24 -7.023 0.063 0.550
202 HG2 GLU 24 HG2 GLU 24 -5.250 1.685 0.416
203 HG3 GLU 24 HG3 GLU 24 -4.458 0.807 -0.892
204 H LYS 25 H LYS 25 -5.583 -3.429 -0.437
205 HA LYS 25 HA LYS 25 -7.754 -4.504 1.084
206 HB2 LYS 25 HB2 LYS 25 -7.623 -5.098 -1.246
207 HB3 LYS 25 HB3 LYS 25 -5.945 -5.603 -1.099
208 HG2 LYS 25 HG2 LYS 25 -6.703 -7.510 0.349
209 HG3 LYS 25 HG3 LYS 25 -8.374 -7.036 0.019
210 HD2 LYS 25 HD2 LYS 25 -8.066 -7.476 -2.369
211 HD3 LYS 25 HD3 LYS 25 -6.344 -7.799 -2.116
212 HE2 LYS 25 HE2 LYS 25 -7.561 -9.896 -2.345
213 HE3 LYS 25 HE3 LYS 25 -6.932 -9.737 -0.706
214 HZ1 LYS 25 HZ1 LYS 25 -9.176 -10.563 -0.662
215 HZ2 LYS 25 HZ2 LYS 25 -9.737 -9.251 -1.563
216 HZ3 LYS 25 HZ3 LYS 25 -9.152 -9.007 0.004
217 H MET 26 H MET 26 -4.256 -5.106 0.852
218 HA MET 26 HA MET 26 -4.122 -7.269 2.683
219 HB2 MET 26 HB2 MET 26 -2.002 -5.335 1.666
220 HB3 MET 26 HB3 MET 26 -1.633 -6.685 2.740
221 HG2 MET 26 HG2 MET 26 -2.826 -6.894 -0.039
222 HG3 MET 26 HG3 MET 26 -1.172 -7.276 0.410
223 HE1 MET 26 HE1 MET 26 -1.860 -10.417 2.797
224 HE2 MET 26 HE2 MET 26 -1.833 -8.731 3.314
225 HE3 MET 26 HE3 MET 26 -0.612 -9.332 2.189
226 H CYS 27 H CYS 27 -4.111 -3.811 3.084
227 HA CYS 27 HA CYS 27 -3.215 -3.684 5.798
228 HB2 CYS 27 HB2 CYS 27 -3.041 -1.717 4.407
229 HB3 CYS 27 HB3 CYS 27 -4.760 -1.746 4.035
230 H LYS 28 H LYS 28 -6.434 -3.722 4.249
231 HA LYS 28 HA LYS 28 -7.864 -3.297 6.740
232 HB2 LYS 28 HB2 LYS 28 -8.882 -3.897 3.925
233 HB3 LYS 28 HB3 LYS 28 -9.914 -3.473 5.293
234 HG2 LYS 28 HG2 LYS 28 -8.891 -1.269 5.449
235 HG3 LYS 28 HG3 LYS 28 -7.735 -1.675 4.176
236 HD2 LYS 28 HD2 LYS 28 -9.714 -1.975 2.609
237 HD3 LYS 28 HD3 LYS 28 -10.750 -1.341 3.892
238 HE2 LYS 28 HE2 LYS 28 -9.461 0.773 3.866
239 HE3 LYS 28 HE3 LYS 28 -8.436 0.124 2.580
240 HZ1 LYS 28 HZ1 LYS 28 -11.366 0.613 2.387
241 HZ2 LYS 28 HZ2 LYS 28 -10.394 -0.032 1.166
242 HZ3 LYS 28 HZ3 LYS 28 -10.151 1.557 1.683
243 H GLU 29 H GLU 29 -7.289 -5.972 4.530
244 HA GLU 29 HA GLU 29 -8.879 -7.859 6.166
245 HB2 GLU 29 HB2 GLU 29 -7.811 -8.148 3.312
246 HB3 GLU 29 HB3 GLU 29 -8.754 -9.364 4.173
247 HG2 GLU 29 HG2 GLU 29 -10.637 -7.718 4.334
248 HG3 GLU 29 HG3 GLU 29 -9.696 -6.603 3.345
249 H GLY 30 H GLY 30 -5.895 -6.787 6.393
250 HA2 GLY 30 HA2 GLY 30 -4.925 -9.248 7.596
251 HA3 GLY 30 HA3 GLY 30 -3.961 -8.683 6.230
252 H THR 31 H THR 31 -2.342 -7.292 6.719
253 HA THR 31 HA THR 31 -2.466 -5.700 9.218
254 HB THR 31 HB THR 31 0.041 -6.173 9.441
255 HG1 THR 31 HG1 THR 31 0.573 -8.249 8.321
256 HG21 THR 31 HG21 THR 31 -1.620 -7.370 10.877
257 HG22 THR 31 HG22 THR 31 -0.222 -8.375 10.492
258 HG23 THR 31 HG23 THR 31 -1.750 -8.632 9.648
259 H SER 32 H SER 32 -1.668 -3.680 9.080
260 HA SER 32 HA SER 32 -1.438 -2.433 6.521
261 HB2 SER 32 HB2 SER 32 -0.903 -1.154 9.237
262 HB3 SER 32 HB3 SER 32 -1.454 -0.362 7.754
263 HG SER 32 HG SER 32 -3.430 -0.907 8.219
264 H GLU 33 H GLU 33 0.793 -3.433 9.056
265 HA GLU 33 HA GLU 33 3.116 -2.022 8.215
266 HB2 GLU 33 HB2 GLU 33 2.843 -4.569 9.880
267 HB3 GLU 33 HB3 GLU 33 4.353 -3.677 9.663
268 HG2 GLU 33 HG2 GLU 33 3.285 -1.667 10.697
269 HG3 GLU 33 HG3 GLU 33 1.829 -2.621 10.991
270 H ASP 34 H ASP 34 1.798 -5.226 7.412
271 HA ASP 34 HA ASP 34 4.023 -5.920 5.681
272 HB2 ASP 34 HB2 ASP 34 1.350 -7.272 6.226
273 HB3 ASP 34 HB3 ASP 34 2.414 -7.842 4.938
274 H ALA 35 H ALA 35 0.928 -4.351 5.318
275 HA ALA 35 HA ALA 35 0.670 -4.478 2.486
276 HB1 ALA 35 HB1 ALA 35 -0.923 -2.614 2.739
277 HB2 ALA 35 HB2 ALA 35 -0.394 -2.369 4.407
278 HB3 ALA 35 HB3 ALA 35 -1.216 -3.864 3.948
279 H GLU 36 H GLU 36 2.113 -2.026 4.656
280 HA GLU 36 HA GLU 36 3.038 -0.331 2.529
281 HB2 GLU 36 HB2 GLU 36 4.115 0.985 4.253
282 HB3 GLU 36 HB3 GLU 36 2.500 0.532 4.789
283 HG2 GLU 36 HG2 GLU 36 3.499 -1.281 6.175
284 HG3 GLU 36 HG3 GLU 36 5.103 -0.743 5.681
285 H ARG 37 H ARG 37 4.410 -2.973 4.368
286 HA ARG 37 HA ARG 37 7.090 -2.934 3.493
287 HB2 ARG 37 HB2 ARG 37 6.369 -4.384 5.310
288 HB3 ARG 37 HB3 ARG 37 5.222 -5.203 4.260
289 HG2 ARG 37 HG2 ARG 37 7.187 -6.112 2.947
290 HG3 ARG 37 HG3 ARG 37 8.252 -5.429 4.181
291 HD2 ARG 37 HD2 ARG 37 7.296 -6.848 5.886
292 HD3 ARG 37 HD3 ARG 37 6.013 -7.378 4.790
293 HE ARG 37 HE ARG 37 8.598 -8.012 3.766
294 HH11 ARG 37 HH11 ARG 37 6.200 -9.121 6.112
295 HH12 ARG 37 HH12 ARG 37 6.731 -10.770 6.035
296 HH21 ARG 37 HH21 ARG 37 9.213 -10.176 3.651
297 HH22 ARG 37 HH22 ARG 37 8.428 -11.352 4.648
298 H MET 38 H MET 38 4.122 -4.251 1.974
299 HA MET 38 HA MET 38 5.541 -5.253 -0.347
300 HB2 MET 38 HB2 MET 38 2.571 -4.941 0.234
301 HB3 MET 38 HB3 MET 38 3.205 -5.635 -1.251
302 HG2 MET 38 HG2 MET 38 3.642 -6.766 1.523
303 HG3 MET 38 HG3 MET 38 2.447 -7.340 0.369
304 HE1 MET 38 HE1 MET 38 5.874 -7.853 1.829
305 HE2 MET 38 HE2 MET 38 6.468 -6.735 0.600
306 HE3 MET 38 HE3 MET 38 6.885 -8.446 0.512
307 H ALA 39 H ALA 39 3.998 -2.278 0.611
308 HA ALA 39 HA ALA 39 3.343 -1.131 -1.855
309 HB1 ALA 39 HB1 ALA 39 3.258 1.016 -0.663
310 HB2 ALA 39 HB2 ALA 39 4.130 0.308 0.702
311 HB3 ALA 39 HB3 ALA 39 2.510 -0.265 0.295
312 H ARG 40 H ARG 40 6.312 -0.901 0.060
313 HA ARG 40 HA ARG 40 7.719 0.903 -1.534
314 HB2 ARG 40 HB2 ARG 40 9.792 -0.058 -0.485
315 HB3 ARG 40 HB3 ARG 40 8.539 0.398 0.663
316 HG2 ARG 40 HG2 ARG 40 7.882 -1.929 0.941
317 HG3 ARG 40 HG3 ARG 40 9.070 -2.440 -0.261
318 HD2 ARG 40 HD2 ARG 40 9.764 -1.035 2.341
319 HD3 ARG 40 HD3 ARG 40 9.779 -2.787 2.119
320 HE ARG 40 HE ARG 40 11.488 -0.955 0.540
321 HH11 ARG 40 HH11 ARG 40 11.171 -3.891 2.475
322 HH12 ARG 40 HH12 ARG 40 12.815 -4.380 2.205
323 HH21 ARG 40 HH21 ARG 40 13.616 -1.625 0.203
324 HH22 ARG 40 HH22 ARG 40 14.188 -3.096 0.925
325 H ASN 41 H ASN 41 7.344 -2.638 -1.878
326 HA ASN 41 HA ASN 41 9.460 -3.041 -3.721
327 HB2 ASN 41 HB2 ASN 41 6.998 -4.763 -3.212
328 HB3 ASN 41 HB3 ASN 41 8.374 -5.264 -4.192
329 HD21 ASN 41 HD21 ASN 41 7.117 -5.105 -1.034
330 HD22 ASN 41 HD22 ASN 41 8.534 -5.616 -0.198
331 H CYS 42 H CYS 42 6.237 -1.882 -4.242
332 HA CYS 42 HA CYS 42 5.902 -2.562 -6.998
333 HB2 CYS 42 HB2 CYS 42 4.016 -1.936 -5.546
334 HB3 CYS 42 HB3 CYS 42 4.642 -0.310 -5.393
335 H GLU 43 H GLU 43 7.402 0.130 -5.322
336 HA GLU 43 HA GLU 43 7.840 1.629 -7.825
337 HB2 GLU 43 HB2 GLU 43 6.693 2.815 -5.972
338 HB3 GLU 43 HB3 GLU 43 8.053 2.490 -4.904
339 HG2 GLU 43 HG2 GLU 43 8.019 4.821 -5.772
340 HG3 GLU 43 HG3 GLU 43 9.496 3.950 -6.184
341 H SER 44 H SER 44 9.523 0.520 -4.916
342 HA SER 44 HA SER 44 11.923 -0.186 -6.353
343 HB2 SER 44 HB2 SER 44 12.066 2.029 -4.256
344 HB3 SER 44 HB3 SER 44 13.469 1.164 -4.883
345 HG SER 44 HG SER 44 11.777 2.995 -6.166
Start of MODEL 14
1 H1 ALA 1 H1 ALA 1 -4.752 4.189 14.390
2 H2 ALA 1 H2 ALA 1 -4.058 5.731 14.496
3 H3 ALA 1 H3 ALA 1 -3.098 4.397 14.099
4 HA ALA 1 HA ALA 1 -5.313 5.454 12.454
5 HB1 ALA 1 HB1 ALA 1 -3.430 7.015 12.530
6 HB2 ALA 1 HB2 ALA 1 -3.515 6.253 10.941
7 HB3 ALA 1 HB3 ALA 1 -2.308 5.720 12.114
8 HA PRO 2 HA PRO 2 -4.971 1.169 10.936
9 HB2 PRO 2 HB2 PRO 2 -6.911 1.299 8.969
10 HB3 PRO 2 HB3 PRO 2 -7.273 1.129 10.696
11 HG2 PRO 2 HG2 PRO 2 -7.372 3.583 8.990
12 HG3 PRO 2 HG3 PRO 2 -8.480 3.062 10.279
13 HD2 PRO 2 HD2 PRO 2 -6.543 4.968 10.638
14 HD3 PRO 2 HD3 PRO 2 -7.144 3.939 11.954
15 H CYS 3 H CYS 3 -5.628 3.373 8.164
16 HA CYS 3 HA CYS 3 -3.131 2.542 6.827
17 HB2 CYS 3 HB2 CYS 3 -5.877 2.538 5.481
18 HB3 CYS 3 HB3 CYS 3 -4.347 2.027 4.769
19 H GLU 4 H GLU 4 -4.078 5.029 8.203
20 HA GLU 4 HA GLU 4 -4.974 6.979 6.368
21 HB2 GLU 4 HB2 GLU 4 -3.318 7.504 8.873
22 HB3 GLU 4 HB3 GLU 4 -4.369 8.646 8.053
23 HG2 GLU 4 HG2 GLU 4 -5.234 6.174 9.569
24 HG3 GLU 4 HG3 GLU 4 -5.393 7.844 10.102
25 H ASP 5 H ASP 5 -1.681 6.123 7.468
26 HA ASP 5 HA ASP 5 -0.347 8.014 5.732
27 HB2 ASP 5 HB2 ASP 5 1.740 7.023 6.501
28 HB3 ASP 5 HB3 ASP 5 0.675 7.183 7.888
29 H LEU 6 H LEU 6 -1.336 4.652 5.579
30 HA LEU 6 HA LEU 6 0.310 3.723 3.488
31 HB2 LEU 6 HB2 LEU 6 -0.983 2.334 5.166
32 HB3 LEU 6 HB3 LEU 6 -2.444 2.686 4.278
33 HG LEU 6 HG LEU 6 -1.351 0.370 3.931
34 HD11 LEU 6 HD11 LEU 6 -1.976 0.211 1.581
35 HD12 LEU 6 HD12 LEU 6 -1.981 1.970 1.439
36 HD13 LEU 6 HD13 LEU 6 -3.148 1.167 2.490
37 HD21 LEU 6 HD21 LEU 6 0.989 1.126 3.689
38 HD22 LEU 6 HD22 LEU 6 0.583 1.923 2.168
39 HD23 LEU 6 HD23 LEU 6 0.467 0.168 2.304
40 H LYS 7 H LYS 7 -3.009 5.024 3.423
41 HA LYS 7 HA LYS 7 -3.440 4.772 0.636
42 HB2 LYS 7 HB2 LYS 7 -5.409 6.188 0.976
43 HB3 LYS 7 HB3 LYS 7 -5.284 4.975 2.241
44 HG2 LYS 7 HG2 LYS 7 -4.188 6.821 3.665
45 HG3 LYS 7 HG3 LYS 7 -4.792 7.948 2.453
46 HD2 LYS 7 HD2 LYS 7 -6.473 6.058 4.150
47 HD3 LYS 7 HD3 LYS 7 -6.334 7.801 4.366
48 HE2 LYS 7 HE2 LYS 7 -7.371 8.096 2.090
49 HE3 LYS 7 HE3 LYS 7 -7.625 6.351 2.032
50 HZ1 LYS 7 HZ1 LYS 7 -9.012 6.509 4.002
51 HZ2 LYS 7 HZ2 LYS 7 -9.606 7.540 2.797
52 HZ3 LYS 7 HZ3 LYS 7 -8.742 8.174 4.103
53 H GLU 8 H GLU 8 -1.922 7.250 2.588
54 HA GLU 8 HA GLU 8 -1.583 9.180 0.491
55 HB2 GLU 8 HB2 GLU 8 -0.029 8.858 3.097
56 HB3 GLU 8 HB3 GLU 8 0.024 10.269 2.044
57 HG2 GLU 8 HG2 GLU 8 -2.383 9.265 3.570
58 HG3 GLU 8 HG3 GLU 8 -1.407 10.673 3.973
59 H ARG 9 H ARG 9 0.339 6.420 1.683
60 HA ARG 9 HA ARG 9 2.694 6.859 0.161
61 HB2 ARG 9 HB2 ARG 9 1.452 4.192 0.980
62 HB3 ARG 9 HB3 ARG 9 3.089 4.401 0.366
63 HG2 ARG 9 HG2 ARG 9 3.697 5.704 2.342
64 HG3 ARG 9 HG3 ARG 9 2.045 5.585 2.945
65 HD2 ARG 9 HD2 ARG 9 2.264 3.142 3.126
66 HD3 ARG 9 HD3 ARG 9 3.906 3.231 2.480
67 HE ARG 9 HE ARG 9 3.246 4.683 4.948
68 HH11 ARG 9 HH11 ARG 9 4.965 2.018 3.422
69 HH12 ARG 9 HH12 ARG 9 5.953 1.707 4.814
70 HH21 ARG 9 HH21 ARG 9 4.523 4.265 6.753
71 HH22 ARG 9 HH22 ARG 9 5.702 2.987 6.711
72 H LEU 10 H LEU 10 -0.419 5.421 -0.593
73 HA LEU 10 HA LEU 10 0.221 4.112 -3.007
74 HB2 LEU 10 HB2 LEU 10 -2.459 5.359 -2.260
75 HB3 LEU 10 HB3 LEU 10 -2.192 4.066 -3.417
76 HG LEU 10 HG LEU 10 -1.986 3.928 -0.403
77 HD11 LEU 10 HD11 LEU 10 -3.748 2.407 -2.328
78 HD12 LEU 10 HD12 LEU 10 -4.243 3.715 -1.253
79 HD13 LEU 10 HD13 LEU 10 -3.694 2.183 -0.578
80 HD21 LEU 10 HD21 LEU 10 -1.291 1.564 -0.611
81 HD22 LEU 10 HD22 LEU 10 -0.076 2.692 -1.204
82 HD23 LEU 10 HD23 LEU 10 -1.077 1.794 -2.345
83 H LYS 11 H LYS 11 -1.084 7.353 -2.368
84 HA LYS 11 HA LYS 11 -1.124 8.079 -5.183
85 HB2 LYS 11 HB2 LYS 11 -1.915 9.644 -2.709
86 HB3 LYS 11 HB3 LYS 11 -2.203 10.158 -4.374
87 HG2 LYS 11 HG2 LYS 11 -3.622 8.163 -4.753
88 HG3 LYS 11 HG3 LYS 11 -3.346 7.645 -3.091
89 HD2 LYS 11 HD2 LYS 11 -4.749 10.207 -3.939
90 HD3 LYS 11 HD3 LYS 11 -5.547 8.743 -3.361
91 HE2 LYS 11 HE2 LYS 11 -4.459 8.993 -1.170
92 HE3 LYS 11 HE3 LYS 11 -3.606 10.431 -1.742
93 HZ1 LYS 11 HZ1 LYS 11 -5.514 11.103 -0.505
94 HZ2 LYS 11 HZ2 LYS 11 -6.531 10.105 -1.406
95 HZ3 LYS 11 HZ3 LYS 11 -5.814 11.452 -2.133
96 H LYS 12 H LYS 12 0.570 9.313 -2.277
97 HA LYS 12 HA LYS 12 1.864 11.493 -3.594
98 HB2 LYS 12 HB2 LYS 12 1.335 11.522 -1.190
99 HB3 LYS 12 HB3 LYS 12 2.413 10.170 -0.890
100 HG2 LYS 12 HG2 LYS 12 3.607 12.672 -2.062
101 HG3 LYS 12 HG3 LYS 12 3.117 12.713 -0.369
102 HD2 LYS 12 HD2 LYS 12 4.591 10.818 0.141
103 HD3 LYS 12 HD3 LYS 12 5.012 10.656 -1.567
104 HE2 LYS 12 HE2 LYS 12 6.028 12.931 -1.488
105 HE3 LYS 12 HE3 LYS 12 5.684 12.998 0.242
106 HZ1 LYS 12 HZ1 LYS 12 7.960 12.319 -0.192
107 HZ2 LYS 12 HZ2 LYS 12 7.430 10.999 -1.103
108 HZ3 LYS 12 HZ3 LYS 12 7.108 11.064 0.557
109 H LEU 13 H LEU 13 2.976 8.259 -2.600
110 HA LEU 13 HA LEU 13 5.690 8.607 -3.489
111 HB2 LEU 13 HB2 LEU 13 4.897 7.017 -1.674
112 HB3 LEU 13 HB3 LEU 13 4.170 6.036 -2.929
113 HG LEU 13 HG LEU 13 6.478 5.683 -3.890
114 HD11 LEU 13 HD11 LEU 13 7.402 6.995 -1.321
115 HD12 LEU 13 HD12 LEU 13 7.614 7.623 -2.957
116 HD13 LEU 13 HD13 LEU 13 8.430 6.140 -2.475
117 HD21 LEU 13 HD21 LEU 13 5.392 3.970 -2.518
118 HD22 LEU 13 HD22 LEU 13 6.026 4.709 -1.046
119 HD23 LEU 13 HD23 LEU 13 7.131 3.989 -2.221
120 H GLY 14 H GLY 14 2.679 7.698 -4.963
121 HA2 GLY 14 HA2 GLY 14 2.038 7.551 -7.144
122 HA3 GLY 14 HA3 GLY 14 3.615 8.174 -7.582
123 H MET 15 H MET 15 2.313 5.173 -6.186
124 HA MET 15 HA MET 15 4.153 3.509 -7.725
125 HB2 MET 15 HB2 MET 15 3.284 1.657 -6.361
126 HB3 MET 15 HB3 MET 15 3.755 3.006 -5.341
127 HG2 MET 15 HG2 MET 15 1.329 3.657 -5.202
128 HG3 MET 15 HG3 MET 15 0.940 2.192 -6.085
129 HE1 MET 15 HE1 MET 15 2.990 2.027 -1.929
130 HE2 MET 15 HE2 MET 15 2.670 3.553 -2.752
131 HE3 MET 15 HE3 MET 15 3.868 2.432 -3.405
132 H SER 16 H SER 16 2.759 1.258 -8.361
133 HA SER 16 HA SER 16 1.195 1.941 -10.644
134 HB2 SER 16 HB2 SER 16 1.512 -0.726 -9.207
135 HB3 SER 16 HB3 SER 16 0.781 -0.522 -10.802
136 HG SER 16 HG SER 16 3.172 0.680 -10.771
137 H GLU 17 H GLU 17 -1.046 1.716 -10.992
138 HA GLU 17 HA GLU 17 -2.926 2.255 -9.020
139 HB2 GLU 17 HB2 GLU 17 -3.404 2.565 -11.402
140 HB3 GLU 17 HB3 GLU 17 -3.311 0.831 -11.687
141 HG2 GLU 17 HG2 GLU 17 -5.306 0.488 -10.272
142 HG3 GLU 17 HG3 GLU 17 -5.403 2.221 -9.972
143 H GLU 18 H GLU 18 -1.718 -0.822 -10.218
144 HA GLU 18 HA GLU 18 -3.583 -2.583 -9.006
145 HB2 GLU 18 HB2 GLU 18 -2.174 -3.276 -10.936
146 HB3 GLU 18 HB3 GLU 18 -0.722 -3.102 -9.953
147 HG2 GLU 18 HG2 GLU 18 -1.698 -4.874 -8.399
148 HG3 GLU 18 HG3 GLU 18 -2.939 -5.149 -9.619
149 H CYS 19 H CYS 19 -0.385 -1.302 -8.108
150 HA CYS 19 HA CYS 19 0.055 -2.810 -5.787
151 HB2 CYS 19 HB2 CYS 19 1.021 -0.033 -6.580
152 HB3 CYS 19 HB3 CYS 19 1.604 -0.912 -5.185
153 H ARG 20 H ARG 20 -1.369 0.457 -6.244
154 HA ARG 20 HA ARG 20 -1.905 1.186 -3.614
155 HB2 ARG 20 HB2 ARG 20 -3.783 1.729 -5.975
156 HB3 ARG 20 HB3 ARG 20 -3.697 2.639 -4.473
157 HG2 ARG 20 HG2 ARG 20 -1.421 3.413 -5.123
158 HG3 ARG 20 HG3 ARG 20 -1.627 2.587 -6.673
159 HD2 ARG 20 HD2 ARG 20 -3.473 4.728 -5.585
160 HD3 ARG 20 HD3 ARG 20 -2.222 5.006 -6.801
161 HE ARG 20 HE ARG 20 -4.192 2.983 -7.466
162 HH11 ARG 20 HH11 ARG 20 -3.416 6.406 -7.795
163 HH12 ARG 20 HH12 ARG 20 -4.478 6.644 -9.144
164 HH21 ARG 20 HH21 ARG 20 -5.662 3.356 -9.156
165 HH22 ARG 20 HH22 ARG 20 -5.750 4.912 -9.912
166 H GLN 21 H GLN 21 -4.049 -0.441 -5.916
167 HA GLN 21 HA GLN 21 -6.327 -0.563 -4.326
168 HB2 GLN 21 HB2 GLN 21 -5.450 -2.241 -6.709
169 HB3 GLN 21 HB3 GLN 21 -7.054 -2.382 -5.997
170 HG2 GLN 21 HG2 GLN 21 -7.608 -0.127 -6.602
171 HG3 GLN 21 HG3 GLN 21 -5.952 0.217 -7.088
172 HE21 GLN 21 HE21 GLN 21 -5.552 -2.273 -8.561
173 HE22 GLN 21 HE22 GLN 21 -6.496 -2.136 -9.998
174 H ARG 22 H ARG 22 -3.735 -2.902 -4.907
175 HA ARG 22 HA ARG 22 -4.690 -5.078 -3.371
176 HB2 ARG 22 HB2 ARG 22 -1.926 -4.234 -4.320
177 HB3 ARG 22 HB3 ARG 22 -2.142 -5.669 -3.333
178 HG2 ARG 22 HG2 ARG 22 -3.587 -6.666 -5.041
179 HG3 ARG 22 HG3 ARG 22 -3.438 -5.214 -6.030
180 HD2 ARG 22 HD2 ARG 22 -1.082 -5.614 -6.392
181 HD3 ARG 22 HD3 ARG 22 -1.065 -6.931 -5.213
182 HE ARG 22 HE ARG 22 -2.841 -7.258 -7.499
183 HH11 ARG 22 HH11 ARG 22 0.306 -8.019 -6.127
184 HH12 ARG 22 HH12 ARG 22 0.570 -9.380 -7.175
185 HH21 ARG 22 HH21 ARG 22 -2.513 -9.061 -8.839
186 HH22 ARG 22 HH22 ARG 22 -1.037 -9.971 -8.719
187 H LEU 23 H LEU 23 -2.649 -2.283 -2.574
188 HA LEU 23 HA LEU 23 -1.585 -3.359 -0.157
189 HB2 LEU 23 HB2 LEU 23 -1.579 -0.624 -1.469
190 HB3 LEU 23 HB3 LEU 23 -0.826 -0.866 0.085
191 HG LEU 23 HG LEU 23 -0.059 -2.280 -2.487
192 HD11 LEU 23 HD11 LEU 23 2.028 -1.018 -2.328
193 HD12 LEU 23 HD12 LEU 23 1.413 -0.165 -0.908
194 HD13 LEU 23 HD13 LEU 23 0.626 0.038 -2.476
195 HD21 LEU 23 HD21 LEU 23 0.268 -3.795 -0.647
196 HD22 LEU 23 HD22 LEU 23 1.125 -2.563 0.282
197 HD23 LEU 23 HD23 LEU 23 1.833 -3.207 -1.201
198 H GLU 24 H GLU 24 -4.100 -0.919 -0.821
199 HA GLU 24 HA GLU 24 -4.655 -0.419 1.933
200 HB2 GLU 24 HB2 GLU 24 -6.619 0.834 1.147
201 HB3 GLU 24 HB3 GLU 24 -5.177 1.254 0.237
202 HG2 GLU 24 HG2 GLU 24 -6.491 1.038 -1.593
203 HG3 GLU 24 HG3 GLU 24 -6.244 -0.688 -1.389
204 H LYS 25 H LYS 25 -5.801 -2.798 -0.408
205 HA LYS 25 HA LYS 25 -8.034 -3.796 1.054
206 HB2 LYS 25 HB2 LYS 25 -7.450 -4.056 -1.459
207 HB3 LYS 25 HB3 LYS 25 -6.333 -5.318 -0.986
208 HG2 LYS 25 HG2 LYS 25 -9.320 -5.413 -0.454
209 HG3 LYS 25 HG3 LYS 25 -8.554 -6.100 -1.882
210 HD2 LYS 25 HD2 LYS 25 -7.210 -7.598 -0.393
211 HD3 LYS 25 HD3 LYS 25 -8.081 -6.947 0.996
212 HE2 LYS 25 HE2 LYS 25 -10.211 -7.757 -0.049
213 HE3 LYS 25 HE3 LYS 25 -9.245 -8.533 -1.303
214 HZ1 LYS 25 HZ1 LYS 25 -9.769 -10.137 0.357
215 HZ2 LYS 25 HZ2 LYS 25 -9.211 -9.140 1.601
216 HZ3 LYS 25 HZ3 LYS 25 -8.115 -9.795 0.491
217 H MET 26 H MET 26 -4.592 -4.606 0.904
218 HA MET 26 HA MET 26 -4.689 -6.907 2.655
219 HB2 MET 26 HB2 MET 26 -2.337 -5.265 1.595
220 HB3 MET 26 HB3 MET 26 -2.175 -6.764 2.503
221 HG2 MET 26 HG2 MET 26 -3.250 -8.010 0.717
222 HG3 MET 26 HG3 MET 26 -3.593 -6.530 -0.158
223 HE1 MET 26 HE1 MET 26 0.678 -8.224 0.407
224 HE2 MET 26 HE2 MET 26 -0.768 -8.998 1.052
225 HE3 MET 26 HE3 MET 26 -0.196 -7.476 1.741
226 H CYS 27 H CYS 27 -4.134 -3.478 2.991
227 HA CYS 27 HA CYS 27 -3.098 -3.480 5.661
228 HB2 CYS 27 HB2 CYS 27 -2.741 -1.600 4.094
229 HB3 CYS 27 HB3 CYS 27 -4.470 -1.274 4.068
230 H LYS 28 H LYS 28 -6.341 -3.412 4.244
231 HA LYS 28 HA LYS 28 -7.757 -2.975 6.748
232 HB2 LYS 28 HB2 LYS 28 -8.717 -3.892 3.985
233 HB3 LYS 28 HB3 LYS 28 -9.794 -3.559 5.342
234 HG2 LYS 28 HG2 LYS 28 -9.297 -1.220 5.298
235 HG3 LYS 28 HG3 LYS 28 -7.921 -1.457 4.218
236 HD2 LYS 28 HD2 LYS 28 -9.557 -2.244 2.443
237 HD3 LYS 28 HD3 LYS 28 -10.872 -1.767 3.521
238 HE2 LYS 28 HE2 LYS 28 -10.130 0.565 3.445
239 HE3 LYS 28 HE3 LYS 28 -8.721 0.113 2.480
240 HZ1 LYS 28 HZ1 LYS 28 -11.567 -0.064 1.644
241 HZ2 LYS 28 HZ2 LYS 28 -10.268 -0.666 0.739
242 HZ3 LYS 28 HZ3 LYS 28 -10.389 0.993 1.043
243 H GLU 29 H GLU 29 -7.454 -5.642 4.448
244 HA GLU 29 HA GLU 29 -8.245 -7.650 6.446
245 HB2 GLU 29 HB2 GLU 29 -8.019 -7.904 3.410
246 HB3 GLU 29 HB3 GLU 29 -8.661 -9.115 4.518
247 HG2 GLU 29 HG2 GLU 29 -10.481 -7.531 5.138
248 HG3 GLU 29 HG3 GLU 29 -9.849 -6.393 3.960
249 H GLY 30 H GLY 30 -6.333 -7.809 7.537
250 HA2 GLY 30 HA2 GLY 30 -4.393 -9.454 7.503
251 HA3 GLY 30 HA3 GLY 30 -3.850 -8.551 6.085
252 H THR 31 H THR 31 -2.159 -7.263 6.678
253 HA THR 31 HA THR 31 -2.515 -5.447 8.980
254 HB THR 31 HB THR 31 -0.109 -5.759 9.658
255 HG1 THR 31 HG1 THR 31 0.442 -8.144 8.718
256 HG21 THR 31 HG21 THR 31 -0.368 -7.876 10.856
257 HG22 THR 31 HG22 THR 31 -1.709 -8.342 9.810
258 HG23 THR 31 HG23 THR 31 -1.881 -6.969 10.908
259 H SER 32 H SER 32 -1.522 -3.485 8.783
260 HA SER 32 HA SER 32 -0.612 -2.429 6.302
261 HB2 SER 32 HB2 SER 32 -0.046 -1.279 9.072
262 HB3 SER 32 HB3 SER 32 -0.233 -0.401 7.551
263 HG SER 32 HG SER 32 -2.241 -0.215 8.124
264 H GLU 33 H GLU 33 0.841 -4.014 8.981
265 HA GLU 33 HA GLU 33 3.565 -3.378 8.777
266 HB2 GLU 33 HB2 GLU 33 2.308 -5.978 9.759
267 HB3 GLU 33 HB3 GLU 33 3.908 -5.371 10.174
268 HG2 GLU 33 HG2 GLU 33 2.964 -3.537 11.446
269 HG3 GLU 33 HG3 GLU 33 1.337 -3.925 10.887
270 H ASP 34 H ASP 34 1.613 -5.930 7.263
271 HA ASP 34 HA ASP 34 3.817 -7.037 5.735
272 HB2 ASP 34 HB2 ASP 34 1.811 -8.393 6.588
273 HB3 ASP 34 HB3 ASP 34 0.836 -7.621 5.342
274 H ALA 35 H ALA 35 1.119 -4.819 5.206
275 HA ALA 35 HA ALA 35 1.106 -4.747 2.395
276 HB1 ALA 35 HB1 ALA 35 0.276 -2.542 4.304
277 HB2 ALA 35 HB2 ALA 35 -0.740 -3.886 3.781
278 HB3 ALA 35 HB3 ALA 35 -0.194 -2.690 2.606
279 H GLU 36 H GLU 36 2.883 -2.716 4.734
280 HA GLU 36 HA GLU 36 4.030 -0.862 2.961
281 HB2 GLU 36 HB2 GLU 36 5.635 -0.366 4.745
282 HB3 GLU 36 HB3 GLU 36 4.017 -0.565 5.413
283 HG2 GLU 36 HG2 GLU 36 4.561 -2.806 6.204
284 HG3 GLU 36 HG3 GLU 36 6.141 -2.733 5.431
285 H ARG 37 H ARG 37 4.945 -4.135 3.739
286 HA ARG 37 HA ARG 37 7.603 -4.170 2.710
287 HB2 ARG 37 HB2 ARG 37 5.641 -6.490 2.974
288 HB3 ARG 37 HB3 ARG 37 7.388 -6.627 2.801
289 HG2 ARG 37 HG2 ARG 37 7.679 -5.523 4.997
290 HG3 ARG 37 HG3 ARG 37 5.928 -5.427 5.171
291 HD2 ARG 37 HD2 ARG 37 5.763 -7.872 5.176
292 HD3 ARG 37 HD3 ARG 37 7.503 -8.016 4.901
293 HE ARG 37 HE ARG 37 6.440 -6.707 7.334
294 HH11 ARG 37 HH11 ARG 37 8.416 -9.246 5.891
295 HH12 ARG 37 HH12 ARG 37 9.094 -9.739 7.414
296 HH21 ARG 37 HH21 ARG 37 7.352 -7.372 9.313
297 HH22 ARG 37 HH22 ARG 37 8.493 -8.679 9.347
298 H MET 38 H MET 38 4.417 -4.850 1.318
299 HA MET 38 HA MET 38 5.440 -5.553 -1.304
300 HB2 MET 38 HB2 MET 38 2.595 -4.891 -0.459
301 HB3 MET 38 HB3 MET 38 3.077 -5.692 -1.944
302 HG2 MET 38 HG2 MET 38 3.463 -6.856 0.825
303 HG3 MET 38 HG3 MET 38 2.096 -7.204 -0.220
304 HE1 MET 38 HE1 MET 38 5.546 -8.331 0.907
305 HE2 MET 38 HE2 MET 38 6.160 -7.314 -0.396
306 HE3 MET 38 HE3 MET 38 6.283 -9.068 -0.515
307 H ALA 39 H ALA 39 4.462 -2.664 0.358
308 HA ALA 39 HA ALA 39 3.954 -0.951 -1.866
309 HB1 ALA 39 HB1 ALA 39 4.752 -0.231 0.975
310 HB2 ALA 39 HB2 ALA 39 3.103 -0.489 0.407
311 HB3 ALA 39 HB3 ALA 39 4.043 0.866 -0.218
312 H ARG 40 H ARG 40 6.835 -1.615 0.106
313 HA ARG 40 HA ARG 40 8.583 0.172 -1.308
314 HB2 ARG 40 HB2 ARG 40 10.395 -0.829 -0.064
315 HB3 ARG 40 HB3 ARG 40 9.027 -0.702 1.032
316 HG2 ARG 40 HG2 ARG 40 8.562 -3.083 0.801
317 HG3 ARG 40 HG3 ARG 40 9.824 -3.246 -0.415
318 HD2 ARG 40 HD2 ARG 40 11.507 -2.608 1.338
319 HD3 ARG 40 HD3 ARG 40 10.200 -2.622 2.531
320 HE ARG 40 HE ARG 40 10.152 -5.079 1.185
321 HH11 ARG 40 HH11 ARG 40 12.304 -3.369 3.381
322 HH12 ARG 40 HH12 ARG 40 12.967 -4.829 4.047
323 HH21 ARG 40 HH21 ARG 40 11.043 -6.986 2.071
324 HH22 ARG 40 HH22 ARG 40 12.257 -6.864 3.310
325 H ASN 41 H ASN 41 7.454 -3.080 -1.787
326 HA ASN 41 HA ASN 41 9.540 -3.813 -3.718
327 HB2 ASN 41 HB2 ASN 41 7.308 -5.335 -2.335
328 HB3 ASN 41 HB3 ASN 41 8.084 -6.020 -3.758
329 HD21 ASN 41 HD21 ASN 41 8.046 -6.893 -0.936
330 HD22 ASN 41 HD22 ASN 41 9.702 -7.085 -0.505
331 H CYS 42 H CYS 42 6.722 -2.083 -3.933
332 HA CYS 42 HA CYS 42 5.455 -3.142 -6.218
333 HB2 CYS 42 HB2 CYS 42 4.291 -1.488 -4.851
334 HB3 CYS 42 HB3 CYS 42 5.522 -0.278 -5.192
335 H GLU 43 H GLU 43 7.460 -0.139 -6.202
336 HA GLU 43 HA GLU 43 8.739 -0.916 -8.746
337 HB2 GLU 43 HB2 GLU 43 7.142 1.637 -8.312
338 HB3 GLU 43 HB3 GLU 43 8.228 1.386 -9.674
339 HG2 GLU 43 HG2 GLU 43 6.832 -0.485 -10.463
340 HG3 GLU 43 HG3 GLU 43 5.752 -0.265 -9.081
341 H SER 44 H SER 44 9.719 -0.615 -5.964
342 HA SER 44 HA SER 44 11.676 1.578 -6.341
343 HB2 SER 44 HB2 SER 44 9.920 2.194 -4.647
344 HB3 SER 44 HB3 SER 44 10.388 0.788 -3.687
345 HG SER 44 HG SER 44 11.987 3.046 -4.359
Start of MODEL 15
1 H1 ALA 1 H1 ALA 1 -7.118 5.236 13.767
2 H2 ALA 1 H2 ALA 1 -6.623 3.689 13.310
3 H3 ALA 1 H3 ALA 1 -8.220 4.163 13.058
4 HA ALA 1 HA ALA 1 -7.505 5.837 11.482
5 HB1 ALA 1 HB1 ALA 1 -5.146 5.867 10.738
6 HB2 ALA 1 HB2 ALA 1 -4.744 4.668 11.970
7 HB3 ALA 1 HB3 ALA 1 -5.291 6.275 12.451
8 HA PRO 2 HA PRO 2 -8.294 1.954 9.101
9 HB2 PRO 2 HB2 PRO 2 -10.075 2.992 7.313
10 HB3 PRO 2 HB3 PRO 2 -10.526 2.677 9.005
11 HG2 PRO 2 HG2 PRO 2 -9.752 5.287 7.717
12 HG3 PRO 2 HG3 PRO 2 -11.082 4.945 8.850
13 HD2 PRO 2 HD2 PRO 2 -8.686 6.021 9.644
14 HD3 PRO 2 HD3 PRO 2 -9.697 5.034 10.710
15 H CYS 3 H CYS 3 -5.820 2.963 8.661
16 HA CYS 3 HA CYS 3 -4.115 2.823 7.230
17 HB2 CYS 3 HB2 CYS 3 -5.412 0.829 6.375
18 HB3 CYS 3 HB3 CYS 3 -6.111 1.868 5.139
19 H GLU 4 H GLU 4 -5.661 5.306 7.453
20 HA GLU 4 HA GLU 4 -5.917 6.666 4.964
21 HB2 GLU 4 HB2 GLU 4 -5.340 7.911 7.688
22 HB3 GLU 4 HB3 GLU 4 -6.105 8.699 6.314
23 HG2 GLU 4 HG2 GLU 4 -8.114 7.420 6.588
24 HG3 GLU 4 HG3 GLU 4 -7.344 6.335 7.749
25 H ASP 5 H ASP 5 -3.440 6.698 7.488
26 HA ASP 5 HA ASP 5 -1.577 8.472 6.429
27 HB2 ASP 5 HB2 ASP 5 -1.604 7.721 8.781
28 HB3 ASP 5 HB3 ASP 5 -1.180 6.090 8.287
29 H LEU 6 H LEU 6 -1.887 4.968 6.009
30 HA LEU 6 HA LEU 6 0.613 4.653 4.619
31 HB2 LEU 6 HB2 LEU 6 -0.533 2.921 6.076
32 HB3 LEU 6 HB3 LEU 6 -1.706 2.697 4.799
33 HG LEU 6 HG LEU 6 1.228 2.297 4.133
34 HD11 LEU 6 HD11 LEU 6 0.921 1.046 6.210
35 HD12 LEU 6 HD12 LEU 6 1.177 -0.022 4.835
36 HD13 LEU 6 HD13 LEU 6 -0.448 0.184 5.499
37 HD21 LEU 6 HD21 LEU 6 0.348 0.586 2.574
38 HD22 LEU 6 HD22 LEU 6 -0.386 2.161 2.288
39 HD23 LEU 6 HD23 LEU 6 -1.295 0.915 3.143
40 H LYS 7 H LYS 7 -2.843 4.677 3.687
41 HA LYS 7 HA LYS 7 -2.479 4.017 0.962
42 HB2 LYS 7 HB2 LYS 7 -4.630 3.790 2.109
43 HB3 LYS 7 HB3 LYS 7 -4.760 5.540 2.276
44 HG2 LYS 7 HG2 LYS 7 -4.875 5.751 -0.204
45 HG3 LYS 7 HG3 LYS 7 -4.777 3.993 -0.349
46 HD2 LYS 7 HD2 LYS 7 -7.012 5.590 0.964
47 HD3 LYS 7 HD3 LYS 7 -7.101 4.732 -0.576
48 HE2 LYS 7 HE2 LYS 7 -6.681 2.590 0.686
49 HE3 LYS 7 HE3 LYS 7 -6.801 3.510 2.188
50 HZ1 LYS 7 HZ1 LYS 7 -8.882 2.432 1.606
51 HZ2 LYS 7 HZ2 LYS 7 -8.939 3.269 0.142
52 HZ3 LYS 7 HZ3 LYS 7 -9.056 4.110 1.602
53 H GLU 8 H GLU 8 -2.586 7.194 2.564
54 HA GLU 8 HA GLU 8 -2.673 8.773 0.219
55 HB2 GLU 8 HB2 GLU 8 -2.026 10.674 1.617
56 HB3 GLU 8 HB3 GLU 8 -3.276 9.715 2.404
57 HG2 GLU 8 HG2 GLU 8 -1.628 8.720 3.900
58 HG3 GLU 8 HG3 GLU 8 -0.320 9.569 3.073
59 H ARG 9 H ARG 9 0.008 7.386 2.079
60 HA ARG 9 HA ARG 9 2.193 8.560 0.731
61 HB2 ARG 9 HB2 ARG 9 1.979 5.755 1.914
62 HB3 ARG 9 HB3 ARG 9 3.492 6.541 1.457
63 HG2 ARG 9 HG2 ARG 9 3.208 8.225 3.160
64 HG3 ARG 9 HG3 ARG 9 1.588 7.636 3.543
65 HD2 ARG 9 HD2 ARG 9 2.635 5.450 4.247
66 HD3 ARG 9 HD3 ARG 9 4.222 6.200 4.014
67 HE ARG 9 HE ARG 9 2.212 6.904 6.035
68 HH11 ARG 9 HH11 ARG 9 5.497 7.284 4.842
69 HH12 ARG 9 HH12 ARG 9 6.049 8.070 6.286
70 HH21 ARG 9 HH21 ARG 9 2.924 7.941 7.894
71 HH22 ARG 9 HH22 ARG 9 4.584 8.445 8.023
72 H LEU 10 H LEU 10 0.297 5.640 -0.027
73 HA LEU 10 HA LEU 10 1.867 4.554 -2.077
74 HB2 LEU 10 HB2 LEU 10 -1.168 4.422 -1.900
75 HB3 LEU 10 HB3 LEU 10 -0.121 3.288 -2.744
76 HG LEU 10 HG LEU 10 -0.325 3.661 0.269
77 HD11 LEU 10 HD11 LEU 10 -1.281 1.412 0.301
78 HD12 LEU 10 HD12 LEU 10 -1.217 1.341 -1.463
79 HD13 LEU 10 HD13 LEU 10 -2.261 2.517 -0.658
80 HD21 LEU 10 HD21 LEU 10 1.439 1.729 -1.269
81 HD22 LEU 10 HD22 LEU 10 1.193 1.731 0.480
82 HD23 LEU 10 HD23 LEU 10 1.975 3.103 -0.298
83 H LYS 11 H LYS 11 -0.826 6.841 -2.226
84 HA LYS 11 HA LYS 11 -0.918 7.092 -5.081
85 HB2 LYS 11 HB2 LYS 11 -2.121 8.846 -2.905
86 HB3 LYS 11 HB3 LYS 11 -2.551 8.901 -4.616
87 HG2 LYS 11 HG2 LYS 11 -3.480 6.643 -4.500
88 HG3 LYS 11 HG3 LYS 11 -2.946 6.474 -2.823
89 HD2 LYS 11 HD2 LYS 11 -4.982 8.527 -3.806
90 HD3 LYS 11 HD3 LYS 11 -5.392 6.992 -3.033
91 HE2 LYS 11 HE2 LYS 11 -4.220 7.710 -0.979
92 HE3 LYS 11 HE3 LYS 11 -3.791 9.239 -1.753
93 HZ1 LYS 11 HZ1 LYS 11 -6.563 8.306 -1.208
94 HZ2 LYS 11 HZ2 LYS 11 -6.133 9.784 -1.908
95 HZ3 LYS 11 HZ3 LYS 11 -5.716 9.458 -0.306
96 H LYS 12 H LYS 12 0.480 8.992 -2.431
97 HA LYS 12 HA LYS 12 1.266 11.273 -3.961
98 HB2 LYS 12 HB2 LYS 12 0.935 10.958 -1.351
99 HB3 LYS 12 HB3 LYS 12 2.608 10.435 -1.356
100 HG2 LYS 12 HG2 LYS 12 1.636 13.157 -2.317
101 HG3 LYS 12 HG3 LYS 12 2.248 12.833 -0.698
102 HD2 LYS 12 HD2 LYS 12 3.833 12.619 -3.294
103 HD3 LYS 12 HD3 LYS 12 3.967 13.902 -2.088
104 HE2 LYS 12 HE2 LYS 12 4.795 12.287 -0.434
105 HE3 LYS 12 HE3 LYS 12 4.614 10.974 -1.601
106 HZ1 LYS 12 HZ1 LYS 12 6.294 11.949 -2.969
107 HZ2 LYS 12 HZ2 LYS 12 6.901 11.829 -1.398
108 HZ3 LYS 12 HZ3 LYS 12 6.388 13.320 -1.992
109 H LEU 13 H LEU 13 2.810 8.227 -3.094
110 HA LEU 13 HA LEU 13 5.426 8.803 -4.126
111 HB2 LEU 13 HB2 LEU 13 4.026 6.381 -3.024
112 HB3 LEU 13 HB3 LEU 13 5.405 6.076 -4.062
113 HG LEU 13 HG LEU 13 6.914 7.224 -2.537
114 HD11 LEU 13 HD11 LEU 13 4.543 7.906 -0.784
115 HD12 LEU 13 HD12 LEU 13 5.471 9.047 -1.759
116 HD13 LEU 13 HD13 LEU 13 6.244 8.210 -0.417
117 HD21 LEU 13 HD21 LEU 13 6.753 5.768 -0.573
118 HD22 LEU 13 HD22 LEU 13 6.421 4.876 -2.057
119 HD23 LEU 13 HD23 LEU 13 5.088 5.357 -1.000
120 H GLY 14 H GLY 14 2.425 7.670 -5.440
121 HA2 GLY 14 HA2 GLY 14 1.700 7.601 -7.592
122 HA3 GLY 14 HA3 GLY 14 3.262 8.222 -8.112
123 H MET 15 H MET 15 2.231 5.230 -6.458
124 HA MET 15 HA MET 15 3.615 3.536 -8.350
125 HB2 MET 15 HB2 MET 15 2.751 1.700 -6.925
126 HB3 MET 15 HB3 MET 15 3.602 2.915 -5.990
127 HG2 MET 15 HG2 MET 15 1.377 3.861 -5.320
128 HG3 MET 15 HG3 MET 15 0.613 2.523 -6.153
129 HE1 MET 15 HE1 MET 15 3.443 3.203 -3.337
130 HE2 MET 15 HE2 MET 15 4.056 1.856 -4.304
131 HE3 MET 15 HE3 MET 15 3.517 1.580 -2.649
132 H SER 16 H SER 16 2.201 1.600 -9.149
133 HA SER 16 HA SER 16 0.389 2.581 -11.066
134 HB2 SER 16 HB2 SER 16 0.792 -0.271 -10.056
135 HB3 SER 16 HB3 SER 16 -0.023 0.166 -11.557
136 HG SER 16 HG SER 16 2.659 0.917 -10.984
137 H GLU 17 H GLU 17 -1.919 2.316 -11.241
138 HA GLU 17 HA GLU 17 -3.396 2.770 -8.862
139 HB2 GLU 17 HB2 GLU 17 -4.388 1.986 -11.642
140 HB3 GLU 17 HB3 GLU 17 -5.434 2.508 -10.320
141 HG2 GLU 17 HG2 GLU 17 -4.214 4.686 -10.269
142 HG3 GLU 17 HG3 GLU 17 -3.284 4.165 -11.670
143 H GLU 18 H GLU 18 -2.587 -0.191 -10.574
144 HA GLU 18 HA GLU 18 -4.314 -1.878 -9.025
145 HB2 GLU 18 HB2 GLU 18 -3.455 -2.619 -11.201
146 HB3 GLU 18 HB3 GLU 18 -1.793 -2.470 -10.637
147 HG2 GLU 18 HG2 GLU 18 -2.226 -4.322 -8.995
148 HG3 GLU 18 HG3 GLU 18 -3.852 -4.486 -9.666
149 H CYS 19 H CYS 19 -1.026 -0.561 -8.584
150 HA CYS 19 HA CYS 19 -0.037 -2.440 -6.706
151 HB2 CYS 19 HB2 CYS 19 1.414 -0.748 -7.916
152 HB3 CYS 19 HB3 CYS 19 0.686 0.514 -6.955
153 H ARG 20 H ARG 20 -1.456 0.805 -6.257
154 HA ARG 20 HA ARG 20 -1.401 0.691 -3.429
155 HB2 ARG 20 HB2 ARG 20 -3.016 2.741 -3.628
156 HB3 ARG 20 HB3 ARG 20 -1.356 2.884 -4.163
157 HG2 ARG 20 HG2 ARG 20 -2.704 4.045 -5.713
158 HG3 ARG 20 HG3 ARG 20 -2.140 2.576 -6.512
159 HD2 ARG 20 HD2 ARG 20 -4.566 3.209 -6.924
160 HD3 ARG 20 HD3 ARG 20 -4.292 1.564 -6.357
161 HE ARG 20 HE ARG 20 -5.473 2.015 -4.500
162 HH11 ARG 20 HH11 ARG 20 -4.728 5.110 -6.034
163 HH12 ARG 20 HH12 ARG 20 -5.710 6.019 -4.941
164 HH21 ARG 20 HH21 ARG 20 -6.652 3.278 -3.006
165 HH22 ARG 20 HH22 ARG 20 -6.789 4.984 -3.237
166 H GLN 21 H GLN 21 -3.850 -0.320 -5.763
167 HA GLN 21 HA GLN 21 -5.959 -0.744 -3.868
168 HB2 GLN 21 HB2 GLN 21 -5.505 -1.712 -6.713
169 HB3 GLN 21 HB3 GLN 21 -6.924 -2.199 -5.785
170 HG2 GLN 21 HG2 GLN 21 -7.687 0.091 -5.606
171 HG3 GLN 21 HG3 GLN 21 -6.188 0.702 -6.297
172 HE21 GLN 21 HE21 GLN 21 -7.221 1.803 -7.973
173 HE22 GLN 21 HE22 GLN 21 -7.998 0.996 -9.288
174 H ARG 22 H ARG 22 -3.243 -2.694 -4.944
175 HA ARG 22 HA ARG 22 -3.947 -5.164 -3.709
176 HB2 ARG 22 HB2 ARG 22 -1.264 -3.939 -4.485
177 HB3 ARG 22 HB3 ARG 22 -1.384 -5.540 -3.789
178 HG2 ARG 22 HG2 ARG 22 -2.708 -6.298 -5.704
179 HG3 ARG 22 HG3 ARG 22 -2.657 -4.676 -6.397
180 HD2 ARG 22 HD2 ARG 22 -0.235 -4.832 -6.674
181 HD3 ARG 22 HD3 ARG 22 -0.210 -6.399 -5.855
182 HE ARG 22 HE ARG 22 -1.881 -6.306 -8.218
183 HH11 ARG 22 HH11 ARG 22 1.383 -6.929 -7.029
184 HH12 ARG 22 HH12 ARG 22 1.816 -7.904 -8.399
185 HH21 ARG 22 HH21 ARG 22 -1.272 -7.581 -10.015
186 HH22 ARG 22 HH22 ARG 22 0.320 -8.270 -10.077
187 H LEU 23 H LEU 23 -2.086 -2.333 -2.692
188 HA LEU 23 HA LEU 23 -1.054 -3.537 -0.307
189 HB2 LEU 23 HB2 LEU 23 -0.946 -0.692 -1.358
190 HB3 LEU 23 HB3 LEU 23 -0.014 -1.283 -0.001
191 HG LEU 23 HG LEU 23 0.213 -2.319 -2.847
192 HD11 LEU 23 HD11 LEU 23 2.140 -0.554 -1.344
193 HD12 LEU 23 HD12 LEU 23 1.101 -0.067 -2.687
194 HD13 LEU 23 HD13 LEU 23 2.382 -1.247 -2.954
195 HD21 LEU 23 HD21 LEU 23 1.895 -3.017 -0.429
196 HD22 LEU 23 HD22 LEU 23 2.159 -3.571 -2.087
197 HD23 LEU 23 HD23 LEU 23 0.711 -4.066 -1.219
198 H GLU 24 H GLU 24 -3.494 -1.022 -0.975
199 HA GLU 24 HA GLU 24 -4.079 -0.333 1.705
200 HB2 GLU 24 HB2 GLU 24 -6.004 0.827 0.840
201 HB3 GLU 24 HB3 GLU 24 -4.711 1.015 -0.338
202 HG2 GLU 24 HG2 GLU 24 -5.741 -0.804 -1.707
203 HG3 GLU 24 HG3 GLU 24 -7.069 -0.887 -0.549
204 H LYS 25 H LYS 25 -5.164 -2.893 -0.390
205 HA LYS 25 HA LYS 25 -7.363 -3.928 1.078
206 HB2 LYS 25 HB2 LYS 25 -7.081 -4.452 -1.268
207 HB3 LYS 25 HB3 LYS 25 -5.476 -5.113 -0.993
208 HG2 LYS 25 HG2 LYS 25 -6.498 -6.999 0.279
209 HG3 LYS 25 HG3 LYS 25 -8.100 -6.342 -0.072
210 HD2 LYS 25 HD2 LYS 25 -6.081 -7.327 -2.132
211 HD3 LYS 25 HD3 LYS 25 -7.526 -8.192 -1.609
212 HE2 LYS 25 HE2 LYS 25 -8.927 -6.344 -2.537
213 HE3 LYS 25 HE3 LYS 25 -7.458 -5.543 -3.102
214 HZ1 LYS 25 HZ1 LYS 25 -8.479 -6.786 -4.877
215 HZ2 LYS 25 HZ2 LYS 25 -8.424 -8.216 -3.978
216 HZ3 LYS 25 HZ3 LYS 25 -6.992 -7.481 -4.482
217 H MET 26 H MET 26 -3.923 -4.898 0.855
218 HA MET 26 HA MET 26 -4.010 -6.934 2.843
219 HB2 MET 26 HB2 MET 26 -1.602 -5.369 1.808
220 HB3 MET 26 HB3 MET 26 -1.519 -6.836 2.777
221 HG2 MET 26 HG2 MET 26 -2.767 -8.018 0.917
222 HG3 MET 26 HG3 MET 26 -2.556 -6.562 -0.051
223 HE1 MET 26 HE1 MET 26 0.854 -9.381 1.305
224 HE2 MET 26 HE2 MET 26 -0.864 -9.703 1.546
225 HE3 MET 26 HE3 MET 26 -0.060 -8.441 2.483
226 H CYS 27 H CYS 27 -3.647 -3.505 2.960
227 HA CYS 27 HA CYS 27 -2.346 -3.135 5.444
228 HB2 CYS 27 HB2 CYS 27 -2.532 -1.440 3.627
229 HB3 CYS 27 HB3 CYS 27 -4.253 -1.293 3.952
230 H LYS 28 H LYS 28 -5.786 -3.304 4.542
231 HA LYS 28 HA LYS 28 -6.613 -2.883 7.334
232 HB2 LYS 28 HB2 LYS 28 -8.939 -2.717 6.403
233 HB3 LYS 28 HB3 LYS 28 -7.829 -1.495 5.804
234 HG2 LYS 28 HG2 LYS 28 -7.680 -2.550 3.653
235 HG3 LYS 28 HG3 LYS 28 -8.515 -3.992 4.226
236 HD2 LYS 28 HD2 LYS 28 -9.964 -2.523 2.820
237 HD3 LYS 28 HD3 LYS 28 -10.612 -2.765 4.443
238 HE2 LYS 28 HE2 LYS 28 -9.861 -0.541 5.117
239 HE3 LYS 28 HE3 LYS 28 -9.039 -0.318 3.568
240 HZ1 LYS 28 HZ1 LYS 28 -11.194 -0.404 2.460
241 HZ2 LYS 28 HZ2 LYS 28 -11.158 0.835 3.607
242 HZ3 LYS 28 HZ3 LYS 28 -11.979 -0.605 3.940
243 H GLU 29 H GLU 29 -7.085 -5.296 4.711
244 HA GLU 29 HA GLU 29 -8.546 -7.092 6.486
245 HB2 GLU 29 HB2 GLU 29 -7.723 -7.498 3.581
246 HB3 GLU 29 HB3 GLU 29 -8.868 -8.487 4.488
247 HG2 GLU 29 HG2 GLU 29 -10.346 -6.470 4.714
248 HG3 GLU 29 HG3 GLU 29 -9.227 -5.579 3.686
249 H GLY 30 H GLY 30 -5.287 -6.552 5.864
250 HA2 GLY 30 HA2 GLY 30 -4.592 -9.171 7.113
251 HA3 GLY 30 HA3 GLY 30 -3.542 -8.358 5.945
252 H THR 31 H THR 31 -1.990 -7.087 6.793
253 HA THR 31 HA THR 31 -2.628 -5.364 9.102
254 HB THR 31 HB THR 31 -0.297 -5.547 9.985
255 HG1 THR 31 HG1 THR 31 -0.027 -7.722 8.168
256 HG21 THR 31 HG21 THR 31 -2.031 -6.983 11.027
257 HG22 THR 31 HG22 THR 31 -0.441 -7.754 11.056
258 HG23 THR 31 HG23 THR 31 -1.644 -8.260 9.870
259 H SER 32 H SER 32 -1.540 -3.344 9.064
260 HA SER 32 HA SER 32 -0.838 -2.195 6.597
261 HB2 SER 32 HB2 SER 32 -0.115 -1.262 9.406
262 HB3 SER 32 HB3 SER 32 -0.085 -0.268 7.947
263 HG SER 32 HG SER 32 -2.340 -0.637 7.753
264 H GLU 33 H GLU 33 1.020 -4.038 8.881
265 HA GLU 33 HA GLU 33 3.663 -3.468 8.059
266 HB2 GLU 33 HB2 GLU 33 2.541 -6.087 9.169
267 HB3 GLU 33 HB3 GLU 33 4.247 -5.631 9.118
268 HG2 GLU 33 HG2 GLU 33 3.833 -3.787 10.677
269 HG3 GLU 33 HG3 GLU 33 2.107 -4.159 10.693
270 H ASP 34 H ASP 34 1.269 -5.892 6.960
271 HA ASP 34 HA ASP 34 2.853 -7.134 4.956
272 HB2 ASP 34 HB2 ASP 34 -0.118 -7.069 5.535
273 HB3 ASP 34 HB3 ASP 34 0.411 -7.699 3.980
274 H ALA 35 H ALA 35 0.850 -4.261 4.929
275 HA ALA 35 HA ALA 35 0.731 -3.890 2.108
276 HB1 ALA 35 HB1 ALA 35 -0.030 -1.615 2.646
277 HB2 ALA 35 HB2 ALA 35 0.415 -1.863 4.337
278 HB3 ALA 35 HB3 ALA 35 -0.868 -2.832 3.610
279 H GLU 36 H GLU 36 2.819 -2.329 4.630
280 HA GLU 36 HA GLU 36 4.417 -0.880 2.770
281 HB2 GLU 36 HB2 GLU 36 5.988 -0.492 4.657
282 HB3 GLU 36 HB3 GLU 36 4.319 -0.171 5.119
283 HG2 GLU 36 HG2 GLU 36 4.182 -2.212 6.371
284 HG3 GLU 36 HG3 GLU 36 5.717 -2.786 5.731
285 H ARG 37 H ARG 37 4.636 -4.091 4.104
286 HA ARG 37 HA ARG 37 7.197 -4.951 3.368
287 HB2 ARG 37 HB2 ARG 37 5.785 -6.247 4.844
288 HB3 ARG 37 HB3 ARG 37 4.523 -6.377 3.629
289 HG2 ARG 37 HG2 ARG 37 6.080 -7.829 2.276
290 HG3 ARG 37 HG3 ARG 37 7.204 -7.794 3.639
291 HD2 ARG 37 HD2 ARG 37 5.468 -8.801 5.089
292 HD3 ARG 37 HD3 ARG 37 4.344 -8.824 3.725
293 HE ARG 37 HE ARG 37 6.844 -10.250 3.309
294 HH11 ARG 37 HH11 ARG 37 3.461 -10.547 4.317
295 HH12 ARG 37 HH12 ARG 37 3.420 -12.262 4.038
296 HH21 ARG 37 HH21 ARG 37 6.756 -12.488 2.995
297 HH22 ARG 37 HH22 ARG 37 5.276 -13.350 3.288
298 H MET 38 H MET 38 4.109 -5.278 1.582
299 HA MET 38 HA MET 38 5.407 -6.275 -0.797
300 HB2 MET 38 HB2 MET 38 2.522 -5.513 -0.241
301 HB3 MET 38 HB3 MET 38 3.079 -6.203 -1.758
302 HG2 MET 38 HG2 MET 38 3.381 -7.607 0.908
303 HG3 MET 38 HG3 MET 38 1.991 -7.818 -0.149
304 HE1 MET 38 HE1 MET 38 5.365 -9.224 0.864
305 HE2 MET 38 HE2 MET 38 6.048 -8.073 -0.287
306 HE3 MET 38 HE3 MET 38 6.110 -9.802 -0.627
307 H ALA 39 H ALA 39 4.587 -3.157 0.441
308 HA ALA 39 HA ALA 39 4.404 -1.671 -1.971
309 HB1 ALA 39 HB1 ALA 39 3.593 -0.774 0.162
310 HB2 ALA 39 HB2 ALA 39 4.767 0.319 -0.569
311 HB3 ALA 39 HB3 ALA 39 5.246 -0.710 0.786
312 H ARG 40 H ARG 40 7.153 -2.426 0.188
313 HA ARG 40 HA ARG 40 9.089 -1.099 -1.477
314 HB2 ARG 40 HB2 ARG 40 10.789 -2.105 0.019
315 HB3 ARG 40 HB3 ARG 40 9.512 -1.270 0.897
316 HG2 ARG 40 HG2 ARG 40 8.434 -3.534 1.268
317 HG3 ARG 40 HG3 ARG 40 9.911 -4.262 0.625
318 HD2 ARG 40 HD2 ARG 40 9.948 -4.217 3.070
319 HD3 ARG 40 HD3 ARG 40 11.211 -3.171 2.417
320 HE ARG 40 HE ARG 40 9.675 -1.265 2.873
321 HH11 ARG 40 HH11 ARG 40 9.256 -4.228 4.759
322 HH12 ARG 40 HH12 ARG 40 8.505 -3.411 6.095
323 HH21 ARG 40 HH21 ARG 40 8.683 -0.222 4.639
324 HH22 ARG 40 HH22 ARG 40 8.194 -1.146 6.020
325 H ASN 41 H ASN 41 7.414 -3.948 -1.859
326 HA ASN 41 HA ASN 41 9.414 -5.152 -3.679
327 HB2 ASN 41 HB2 ASN 41 6.846 -6.200 -2.420
328 HB3 ASN 41 HB3 ASN 41 7.479 -6.953 -3.886
329 HD21 ASN 41 HD21 ASN 41 8.235 -6.206 -0.533
330 HD22 ASN 41 HD22 ASN 41 9.401 -7.456 -0.330
331 H CYS 42 H CYS 42 6.680 -3.107 -3.624
332 HA CYS 42 HA CYS 42 6.099 -3.448 -6.485
333 HB2 CYS 42 HB2 CYS 42 4.220 -3.161 -4.820
334 HB3 CYS 42 HB3 CYS 42 4.812 -1.536 -4.493
335 H GLU 43 H GLU 43 6.460 -0.476 -4.491
336 HA GLU 43 HA GLU 43 8.556 0.526 -6.341
337 HB2 GLU 43 HB2 GLU 43 6.548 2.185 -4.743
338 HB3 GLU 43 HB3 GLU 43 7.806 2.820 -5.802
339 HG2 GLU 43 HG2 GLU 43 5.410 1.171 -6.649
340 HG3 GLU 43 HG3 GLU 43 5.609 2.908 -6.868
341 H SER 44 H SER 44 7.344 1.405 -3.079
342 HA SER 44 HA SER 44 9.707 0.729 -1.651
343 HB2 SER 44 HB2 SER 44 10.357 3.149 -1.074
344 HB3 SER 44 HB3 SER 44 10.755 2.643 -2.716
345 HG SER 44 HG SER 44 8.380 4.046 -2.027
Start of MODEL 16
1 H1 ALA 1 H1 ALA 1 -3.424 7.056 13.164
2 H2 ALA 1 H2 ALA 1 -3.210 8.582 12.481
3 H3 ALA 1 H3 ALA 1 -2.178 7.321 12.053
4 HA ALA 1 HA ALA 1 -5.072 7.469 11.475
5 HB1 ALA 1 HB1 ALA 1 -4.358 7.730 9.113
6 HB2 ALA 1 HB2 ALA 1 -2.670 7.751 9.633
7 HB3 ALA 1 HB3 ALA 1 -3.762 9.047 10.123
8 HA PRO 2 HA PRO 2 -4.617 2.988 11.690
9 HB2 PRO 2 HB2 PRO 2 -6.947 2.264 10.326
10 HB3 PRO 2 HB3 PRO 2 -6.899 2.770 12.023
11 HG2 PRO 2 HG2 PRO 2 -7.577 4.396 9.594
12 HG3 PRO 2 HG3 PRO 2 -8.377 4.365 11.185
13 HD2 PRO 2 HD2 PRO 2 -6.684 6.349 10.532
14 HD3 PRO 2 HD3 PRO 2 -6.730 5.703 12.189
15 H CYS 3 H CYS 3 -5.786 4.127 8.488
16 HA CYS 3 HA CYS 3 -3.511 2.851 7.148
17 HB2 CYS 3 HB2 CYS 3 -5.375 1.154 7.218
18 HB3 CYS 3 HB3 CYS 3 -6.384 2.273 6.309
19 H GLU 4 H GLU 4 -5.170 5.527 7.697
20 HA GLU 4 HA GLU 4 -5.799 6.603 5.135
21 HB2 GLU 4 HB2 GLU 4 -5.157 8.213 7.643
22 HB3 GLU 4 HB3 GLU 4 -6.131 8.710 6.264
23 HG2 GLU 4 HG2 GLU 4 -7.858 7.067 6.866
24 HG3 GLU 4 HG3 GLU 4 -6.876 6.521 8.225
25 H ASP 5 H ASP 5 -3.100 7.103 7.399
26 HA ASP 5 HA ASP 5 -1.449 8.742 5.879
27 HB2 ASP 5 HB2 ASP 5 -1.015 8.363 8.262
28 HB3 ASP 5 HB3 ASP 5 -0.689 6.657 7.983
29 H LEU 6 H LEU 6 -1.722 5.207 5.991
30 HA LEU 6 HA LEU 6 0.555 4.676 4.400
31 HB2 LEU 6 HB2 LEU 6 -0.430 3.032 5.946
32 HB3 LEU 6 HB3 LEU 6 -1.847 2.894 4.926
33 HG LEU 6 HG LEU 6 0.762 2.325 3.538
34 HD11 LEU 6 HD11 LEU 6 1.039 0.081 4.428
35 HD12 LEU 6 HD12 LEU 6 -0.269 0.346 5.582
36 HD13 LEU 6 HD13 LEU 6 1.222 1.284 5.708
37 HD21 LEU 6 HD21 LEU 6 -0.530 0.468 2.521
38 HD22 LEU 6 HD22 LEU 6 -1.349 2.017 2.338
39 HD23 LEU 6 HD23 LEU 6 -1.907 0.868 3.554
40 H LYS 7 H LYS 7 -2.949 4.892 3.585
41 HA LYS 7 HA LYS 7 -2.688 4.099 0.880
42 HB2 LYS 7 HB2 LYS 7 -4.846 4.174 2.221
43 HB3 LYS 7 HB3 LYS 7 -4.861 5.922 1.997
44 HG2 LYS 7 HG2 LYS 7 -4.847 5.490 -0.519
45 HG3 LYS 7 HG3 LYS 7 -5.071 3.782 -0.151
46 HD2 LYS 7 HD2 LYS 7 -7.262 4.502 -0.582
47 HD3 LYS 7 HD3 LYS 7 -7.190 4.568 1.179
48 HE2 LYS 7 HE2 LYS 7 -6.852 6.935 -0.701
49 HE3 LYS 7 HE3 LYS 7 -8.304 6.554 0.218
50 HZ1 LYS 7 HZ1 LYS 7 -6.864 6.800 2.256
51 HZ2 LYS 7 HZ2 LYS 7 -7.198 8.213 1.400
52 HZ3 LYS 7 HZ3 LYS 7 -5.687 7.480 1.245
53 H GLU 8 H GLU 8 -2.632 7.283 2.435
54 HA GLU 8 HA GLU 8 -2.332 8.839 0.065
55 HB2 GLU 8 HB2 GLU 8 -1.610 9.505 2.947
56 HB3 GLU 8 HB3 GLU 8 -1.648 10.665 1.622
57 HG2 GLU 8 HG2 GLU 8 -4.005 9.125 2.722
58 HG3 GLU 8 HG3 GLU 8 -3.658 10.831 2.988
59 H ARG 9 H ARG 9 -0.078 7.180 2.199
60 HA ARG 9 HA ARG 9 2.371 8.262 1.297
61 HB2 ARG 9 HB2 ARG 9 1.905 6.767 3.367
62 HB3 ARG 9 HB3 ARG 9 1.979 5.400 2.256
63 HG2 ARG 9 HG2 ARG 9 4.315 6.213 1.624
64 HG3 ARG 9 HG3 ARG 9 4.193 7.327 2.988
65 HD2 ARG 9 HD2 ARG 9 4.176 4.302 3.048
66 HD3 ARG 9 HD3 ARG 9 5.370 5.388 3.759
67 HE ARG 9 HE ARG 9 3.277 6.127 5.162
68 HH11 ARG 9 HH11 ARG 9 4.167 2.814 4.321
69 HH12 ARG 9 HH12 ARG 9 3.414 2.142 5.735
70 HH21 ARG 9 HH21 ARG 9 2.257 5.211 6.965
71 HH22 ARG 9 HH22 ARG 9 2.334 3.500 7.228
72 H LEU 10 H LEU 10 0.262 5.652 0.165
73 HA LEU 10 HA LEU 10 1.998 4.431 -1.725
74 HB2 LEU 10 HB2 LEU 10 -1.046 4.538 -1.917
75 HB3 LEU 10 HB3 LEU 10 0.023 3.341 -2.634
76 HG LEU 10 HG LEU 10 -0.607 3.676 0.307
77 HD11 LEU 10 HD11 LEU 10 -2.427 2.669 -0.934
78 HD12 LEU 10 HD12 LEU 10 -1.679 1.492 0.143
79 HD13 LEU 10 HD13 LEU 10 -1.336 1.444 -1.589
80 HD21 LEU 10 HD21 LEU 10 1.319 1.723 -0.980
81 HD22 LEU 10 HD22 LEU 10 0.760 1.639 0.691
82 HD23 LEU 10 HD23 LEU 10 1.713 3.018 0.155
83 H LYS 11 H LYS 11 -0.530 6.905 -1.998
84 HA LYS 11 HA LYS 11 -0.322 7.408 -4.788
85 HB2 LYS 11 HB2 LYS 11 -1.309 9.264 -2.575
86 HB3 LYS 11 HB3 LYS 11 -1.637 9.450 -4.298
87 HG2 LYS 11 HG2 LYS 11 -2.954 7.373 -4.302
88 HG3 LYS 11 HG3 LYS 11 -2.569 7.108 -2.599
89 HD2 LYS 11 HD2 LYS 11 -4.813 8.032 -2.749
90 HD3 LYS 11 HD3 LYS 11 -3.748 9.242 -2.032
91 HE2 LYS 11 HE2 LYS 11 -5.232 10.312 -3.638
92 HE3 LYS 11 HE3 LYS 11 -3.581 10.365 -4.256
93 HZ1 LYS 11 HZ1 LYS 11 -5.662 8.410 -5.070
94 HZ2 LYS 11 HZ2 LYS 11 -4.098 8.504 -5.700
95 HZ3 LYS 11 HZ3 LYS 11 -5.191 9.760 -5.965
96 H LYS 12 H LYS 12 1.362 8.676 -1.987
97 HA LYS 12 HA LYS 12 2.761 10.825 -3.287
98 HB2 LYS 12 HB2 LYS 12 2.222 10.839 -0.866
99 HB3 LYS 12 HB3 LYS 12 3.230 9.417 -0.618
100 HG2 LYS 12 HG2 LYS 12 4.343 11.459 0.158
101 HG3 LYS 12 HG3 LYS 12 5.240 10.703 -1.163
102 HD2 LYS 12 HD2 LYS 12 4.395 12.368 -2.739
103 HD3 LYS 12 HD3 LYS 12 3.372 13.091 -1.491
104 HE2 LYS 12 HE2 LYS 12 5.386 13.757 -0.225
105 HE3 LYS 12 HE3 LYS 12 6.414 12.997 -1.444
106 HZ1 LYS 12 HZ1 LYS 12 6.260 15.376 -1.778
107 HZ2 LYS 12 HZ2 LYS 12 4.581 15.287 -1.914
108 HZ3 LYS 12 HZ3 LYS 12 5.561 14.560 -3.081
109 H LEU 13 H LEU 13 3.447 7.438 -2.574
110 HA LEU 13 HA LEU 13 6.304 7.619 -3.095
111 HB2 LEU 13 HB2 LEU 13 5.296 6.151 -1.328
112 HB3 LEU 13 HB3 LEU 13 4.493 5.215 -2.573
113 HG LEU 13 HG LEU 13 6.695 4.403 -3.390
114 HD11 LEU 13 HD11 LEU 13 7.886 6.020 -1.116
115 HD12 LEU 13 HD12 LEU 13 8.105 6.314 -2.844
116 HD13 LEU 13 HD13 LEU 13 8.757 4.850 -2.113
117 HD21 LEU 13 HD21 LEU 13 6.237 4.008 -0.402
118 HD22 LEU 13 HD22 LEU 13 7.261 2.984 -1.419
119 HD23 LEU 13 HD23 LEU 13 5.526 3.063 -1.716
120 H GLY 14 H GLY 14 3.370 6.798 -4.778
121 HA2 GLY 14 HA2 GLY 14 2.936 6.614 -7.011
122 HA3 GLY 14 HA3 GLY 14 4.643 6.833 -7.343
123 H MET 15 H MET 15 2.086 4.503 -6.936
124 HA MET 15 HA MET 15 3.721 2.629 -8.448
125 HB2 MET 15 HB2 MET 15 2.815 0.689 -7.163
126 HB3 MET 15 HB3 MET 15 3.869 1.713 -6.199
127 HG2 MET 15 HG2 MET 15 0.872 1.999 -6.094
128 HG3 MET 15 HG3 MET 15 1.730 0.830 -5.098
129 HE1 MET 15 HE1 MET 15 3.806 3.026 -2.713
130 HE2 MET 15 HE2 MET 15 4.312 2.129 -4.145
131 HE3 MET 15 HE3 MET 15 3.151 1.417 -3.018
132 H SER 16 H SER 16 2.328 0.953 -9.515
133 HA SER 16 HA SER 16 0.360 2.058 -11.170
134 HB2 SER 16 HB2 SER 16 0.742 -0.869 -10.382
135 HB3 SER 16 HB3 SER 16 -0.161 -0.302 -11.793
136 HG SER 16 HG SER 16 2.559 -0.528 -11.402
137 H GLU 17 H GLU 17 -2.024 1.726 -11.213
138 HA GLU 17 HA GLU 17 -3.155 2.347 -8.700
139 HB2 GLU 17 HB2 GLU 17 -4.115 3.053 -10.917
140 HB3 GLU 17 HB3 GLU 17 -4.757 1.417 -11.106
141 HG2 GLU 17 HG2 GLU 17 -6.063 1.688 -9.011
142 HG3 GLU 17 HG3 GLU 17 -5.414 3.316 -8.809
143 H GLU 18 H GLU 18 -3.065 -0.632 -10.530
144 HA GLU 18 HA GLU 18 -4.605 -2.367 -9.030
145 HB2 GLU 18 HB2 GLU 18 -3.606 -2.942 -11.211
146 HB3 GLU 18 HB3 GLU 18 -1.991 -2.858 -10.521
147 HG2 GLU 18 HG2 GLU 18 -2.631 -4.810 -9.033
148 HG3 GLU 18 HG3 GLU 18 -4.122 -4.942 -9.962
149 H CYS 19 H CYS 19 -1.475 -1.005 -8.328
150 HA CYS 19 HA CYS 19 -0.591 -3.037 -6.503
151 HB2 CYS 19 HB2 CYS 19 0.969 -1.484 -7.835
152 HB3 CYS 19 HB3 CYS 19 0.512 -0.218 -6.722
153 H ARG 20 H ARG 20 -1.855 0.332 -6.207
154 HA ARG 20 HA ARG 20 -1.761 0.387 -3.363
155 HB2 ARG 20 HB2 ARG 20 -3.801 1.993 -4.975
156 HB3 ARG 20 HB3 ARG 20 -3.192 2.323 -3.358
157 HG2 ARG 20 HG2 ARG 20 -2.003 3.848 -4.583
158 HG3 ARG 20 HG3 ARG 20 -0.863 2.510 -4.577
159 HD2 ARG 20 HD2 ARG 20 -0.945 3.335 -6.802
160 HD3 ARG 20 HD3 ARG 20 -1.884 1.828 -6.772
161 HE ARG 20 HE ARG 20 -3.902 3.127 -6.763
162 HH11 ARG 20 HH11 ARG 20 -1.013 4.910 -7.728
163 HH12 ARG 20 HH12 ARG 20 -1.911 6.144 -8.552
164 HH21 ARG 20 HH21 ARG 20 -5.041 4.767 -7.817
165 HH22 ARG 20 HH22 ARG 20 -4.195 6.062 -8.604
166 H GLN 21 H GLN 21 -4.164 -0.712 -5.676
167 HA GLN 21 HA GLN 21 -6.335 -1.141 -3.992
168 HB2 GLN 21 HB2 GLN 21 -5.467 -2.629 -6.494
169 HB3 GLN 21 HB3 GLN 21 -7.011 -2.918 -5.697
170 HG2 GLN 21 HG2 GLN 21 -7.747 -0.658 -6.170
171 HG3 GLN 21 HG3 GLN 21 -6.156 -0.229 -6.804
172 HE21 GLN 21 HE21 GLN 21 -7.005 0.350 -8.834
173 HE22 GLN 21 HE22 GLN 21 -7.591 -0.821 -9.963
174 H ARG 22 H ARG 22 -3.485 -3.088 -4.693
175 HA ARG 22 HA ARG 22 -4.222 -5.440 -3.191
176 HB2 ARG 22 HB2 ARG 22 -1.588 -4.438 -4.342
177 HB3 ARG 22 HB3 ARG 22 -1.701 -5.938 -3.443
178 HG2 ARG 22 HG2 ARG 22 -3.157 -6.906 -5.125
179 HG3 ARG 22 HG3 ARG 22 -3.216 -5.377 -6.007
180 HD2 ARG 22 HD2 ARG 22 -0.898 -5.529 -6.604
181 HD3 ARG 22 HD3 ARG 22 -0.620 -6.857 -5.473
182 HE ARG 22 HE ARG 22 -2.520 -7.746 -7.299
183 HH11 ARG 22 HH11 ARG 22 0.845 -6.703 -7.404
184 HH12 ARG 22 HH12 ARG 22 1.245 -7.716 -8.759
185 HH21 ARG 22 HH21 ARG 22 -1.957 -9.121 -9.026
186 HH22 ARG 22 HH22 ARG 22 -0.346 -9.084 -9.674
187 H LEU 23 H LEU 23 -2.397 -2.471 -2.570
188 HA LEU 23 HA LEU 23 -1.077 -3.401 -0.200
189 HB2 LEU 23 HB2 LEU 23 -1.405 -0.578 -1.293
190 HB3 LEU 23 HB3 LEU 23 -0.289 -1.058 -0.031
191 HG LEU 23 HG LEU 23 -0.191 -2.018 -2.901
192 HD11 LEU 23 HD11 LEU 23 0.480 0.320 -2.742
193 HD12 LEU 23 HD12 LEU 23 1.829 -0.725 -3.188
194 HD13 LEU 23 HD13 LEU 23 1.698 -0.110 -1.536
195 HD21 LEU 23 HD21 LEU 23 1.930 -3.070 -2.360
196 HD22 LEU 23 HD22 LEU 23 0.620 -3.741 -1.394
197 HD23 LEU 23 HD23 LEU 23 1.754 -2.596 -0.670
198 H GLU 24 H GLU 24 -3.762 -1.092 -0.792
199 HA GLU 24 HA GLU 24 -4.474 -0.648 1.888
200 HB2 GLU 24 HB2 GLU 24 -6.579 0.228 1.081
201 HB3 GLU 24 HB3 GLU 24 -5.326 0.719 -0.054
202 HG2 GLU 24 HG2 GLU 24 -6.024 -0.967 -1.655
203 HG3 GLU 24 HG3 GLU 24 -7.153 -1.664 -0.496
204 H LYS 25 H LYS 25 -5.197 -3.286 -0.331
205 HA LYS 25 HA LYS 25 -7.391 -4.441 1.038
206 HB2 LYS 25 HB2 LYS 25 -6.819 -4.996 -1.310
207 HB3 LYS 25 HB3 LYS 25 -5.314 -5.740 -0.790
208 HG2 LYS 25 HG2 LYS 25 -7.013 -7.432 -1.353
209 HG3 LYS 25 HG3 LYS 25 -6.556 -7.528 0.350
210 HD2 LYS 25 HD2 LYS 25 -8.984 -7.785 0.091
211 HD3 LYS 25 HD3 LYS 25 -8.618 -6.302 0.973
212 HE2 LYS 25 HE2 LYS 25 -8.858 -5.069 -1.255
213 HE3 LYS 25 HE3 LYS 25 -9.490 -6.575 -1.923
214 HZ1 LYS 25 HZ1 LYS 25 -10.648 -4.981 0.288
215 HZ2 LYS 25 HZ2 LYS 25 -11.217 -6.497 -0.182
216 HZ3 LYS 25 HZ3 LYS 25 -11.291 -5.196 -1.259
217 H MET 26 H MET 26 -3.908 -4.965 1.171
218 HA MET 26 HA MET 26 -3.939 -6.954 3.234
219 HB2 MET 26 HB2 MET 26 -1.738 -5.163 2.129
220 HB3 MET 26 HB3 MET 26 -1.468 -6.443 3.301
221 HG2 MET 26 HG2 MET 26 -2.643 -6.963 0.566
222 HG3 MET 26 HG3 MET 26 -0.919 -7.008 0.906
223 HE1 MET 26 HE1 MET 26 -4.111 -9.123 0.693
224 HE2 MET 26 HE2 MET 26 -4.360 -8.555 2.344
225 HE3 MET 26 HE3 MET 26 -3.990 -10.251 2.044
226 H CYS 27 H CYS 27 -3.728 -3.471 3.115
227 HA CYS 27 HA CYS 27 -2.780 -2.975 5.756
228 HB2 CYS 27 HB2 CYS 27 -2.447 -1.399 3.904
229 HB3 CYS 27 HB3 CYS 27 -4.182 -1.161 3.756
230 H LYS 28 H LYS 28 -5.932 -3.503 4.386
231 HA LYS 28 HA LYS 28 -7.335 -2.666 6.850
232 HB2 LYS 28 HB2 LYS 28 -8.469 -3.485 4.129
233 HB3 LYS 28 HB3 LYS 28 -9.408 -2.896 5.501
234 HG2 LYS 28 HG2 LYS 28 -8.441 -0.694 5.320
235 HG3 LYS 28 HG3 LYS 28 -7.270 -1.251 4.115
236 HD2 LYS 28 HD2 LYS 28 -9.217 -1.798 2.595
237 HD3 LYS 28 HD3 LYS 28 -10.286 -1.031 3.773
238 HE2 LYS 28 HE2 LYS 28 -9.017 1.095 3.473
239 HE3 LYS 28 HE3 LYS 28 -8.029 0.292 2.242
240 HZ1 LYS 28 HZ1 LYS 28 -10.981 0.484 2.050
241 HZ2 LYS 28 HZ2 LYS 28 -9.884 0.069 0.830
242 HZ3 LYS 28 HZ3 LYS 28 -9.947 1.656 1.412
243 H GLU 29 H GLU 29 -7.533 -5.306 4.448
244 HA GLU 29 HA GLU 29 -8.474 -7.201 6.479
245 HB2 GLU 29 HB2 GLU 29 -8.258 -7.541 3.447
246 HB3 GLU 29 HB3 GLU 29 -9.054 -8.648 4.566
247 HG2 GLU 29 HG2 GLU 29 -10.649 -6.808 5.165
248 HG3 GLU 29 HG3 GLU 29 -9.897 -5.807 3.927
249 H GLY 30 H GLY 30 -6.433 -7.166 7.544
250 HA2 GLY 30 HA2 GLY 30 -4.717 -9.203 7.543
251 HA3 GLY 30 HA3 GLY 30 -4.024 -8.226 6.242
252 H THR 31 H THR 31 -2.322 -7.091 7.039
253 HA THR 31 HA THR 31 -2.877 -5.125 9.158
254 HB THR 31 HB THR 31 -0.399 -5.395 9.954
255 HG1 THR 31 HG1 THR 31 -0.442 -7.304 8.123
256 HG21 THR 31 HG21 THR 31 -2.345 -6.018 11.382
257 HG22 THR 31 HG22 THR 31 -0.952 -7.071 11.636
258 HG23 THR 31 HG23 THR 31 -2.318 -7.637 10.674
259 H SER 32 H SER 32 -1.664 -3.187 8.924
260 HA SER 32 HA SER 32 -1.033 -2.314 6.332
261 HB2 SER 32 HB2 SER 32 -0.112 -1.056 8.953
262 HB3 SER 32 HB3 SER 32 -0.290 -0.238 7.398
263 HG SER 32 HG SER 32 -2.343 -0.002 7.805
264 H GLU 33 H GLU 33 0.839 -4.117 8.550
265 HA GLU 33 HA GLU 33 3.473 -3.639 7.770
266 HB2 GLU 33 HB2 GLU 33 2.182 -6.281 8.569
267 HB3 GLU 33 HB3 GLU 33 3.910 -5.943 8.576
268 HG2 GLU 33 HG2 GLU 33 1.833 -4.590 10.313
269 HG3 GLU 33 HG3 GLU 33 2.942 -5.856 10.830
270 H ASP 34 H ASP 34 1.118 -6.038 6.444
271 HA ASP 34 HA ASP 34 2.775 -7.171 4.468
272 HB2 ASP 34 HB2 ASP 34 -0.259 -6.856 4.341
273 HB3 ASP 34 HB3 ASP 34 0.694 -7.984 3.384
274 H ALA 35 H ALA 35 0.620 -4.435 4.440
275 HA ALA 35 HA ALA 35 0.588 -3.712 1.750
276 HB1 ALA 35 HB1 ALA 35 -0.958 -2.817 3.429
277 HB2 ALA 35 HB2 ALA 35 -0.145 -1.512 2.560
278 HB3 ALA 35 HB3 ALA 35 0.361 -1.938 4.199
279 H GLU 36 H GLU 36 2.761 -2.559 4.384
280 HA GLU 36 HA GLU 36 4.118 -0.690 2.691
281 HB2 GLU 36 HB2 GLU 36 5.602 -0.262 4.591
282 HB3 GLU 36 HB3 GLU 36 3.928 -0.321 5.128
283 HG2 GLU 36 HG2 GLU 36 4.266 -2.588 6.008
284 HG3 GLU 36 HG3 GLU 36 5.926 -2.585 5.423
285 H ARG 37 H ARG 37 4.760 -4.028 3.650
286 HA ARG 37 HA ARG 37 7.458 -4.181 2.723
287 HB2 ARG 37 HB2 ARG 37 5.458 -6.474 2.938
288 HB3 ARG 37 HB3 ARG 37 7.208 -6.632 2.814
289 HG2 ARG 37 HG2 ARG 37 5.624 -5.538 5.145
290 HG3 ARG 37 HG3 ARG 37 6.566 -7.019 5.095
291 HD2 ARG 37 HD2 ARG 37 8.642 -5.732 4.978
292 HD3 ARG 37 HD3 ARG 37 7.735 -4.217 4.885
293 HE ARG 37 HE ARG 37 7.075 -5.713 7.230
294 HH11 ARG 37 HH11 ARG 37 9.532 -3.528 5.951
295 HH12 ARG 37 HH12 ARG 37 10.008 -2.969 7.525
296 HH21 ARG 37 HH21 ARG 37 7.720 -4.966 9.265
297 HH22 ARG 37 HH22 ARG 37 8.982 -3.783 9.394
298 H MET 38 H MET 38 4.304 -4.776 1.188
299 HA MET 38 HA MET 38 5.453 -5.639 -1.321
300 HB2 MET 38 HB2 MET 38 2.600 -4.932 -0.527
301 HB3 MET 38 HB3 MET 38 3.048 -5.489 -2.132
302 HG2 MET 38 HG2 MET 38 3.528 -7.133 0.359
303 HG3 MET 38 HG3 MET 38 2.039 -7.212 -0.568
304 HE1 MET 38 HE1 MET 38 5.605 -8.623 -0.158
305 HE2 MET 38 HE2 MET 38 6.024 -7.379 -1.335
306 HE3 MET 38 HE3 MET 38 6.083 -9.079 -1.794
307 H ALA 39 H ALA 39 4.461 -2.605 0.132
308 HA ALA 39 HA ALA 39 4.027 -1.049 -2.207
309 HB1 ALA 39 HB1 ALA 39 4.155 0.900 -0.704
310 HB2 ALA 39 HB2 ALA 39 4.819 -0.119 0.578
311 HB3 ALA 39 HB3 ALA 39 3.171 -0.383 0.005
312 H ARG 40 H ARG 40 6.859 -1.400 -0.089
313 HA ARG 40 HA ARG 40 8.559 0.384 -1.534
314 HB2 ARG 40 HB2 ARG 40 10.375 -0.546 -0.116
315 HB3 ARG 40 HB3 ARG 40 8.957 -0.083 0.816
316 HG2 ARG 40 HG2 ARG 40 8.259 -2.492 0.872
317 HG3 ARG 40 HG3 ARG 40 9.769 -2.907 0.059
318 HD2 ARG 40 HD2 ARG 40 9.560 -1.532 2.756
319 HD3 ARG 40 HD3 ARG 40 9.859 -3.257 2.509
320 HE ARG 40 HE ARG 40 11.821 -1.975 1.070
321 HH11 ARG 40 HH11 ARG 40 10.836 -2.029 4.444
322 HH12 ARG 40 HH12 ARG 40 12.434 -1.717 5.046
323 HH21 ARG 40 HH21 ARG 40 13.914 -1.555 1.860
324 HH22 ARG 40 HH22 ARG 40 14.182 -1.444 3.573
325 H ASN 41 H ASN 41 7.899 -3.066 -1.759
326 HA ASN 41 HA ASN 41 10.036 -3.576 -3.691
327 HB2 ASN 41 HB2 ASN 41 7.927 -5.327 -2.388
328 HB3 ASN 41 HB3 ASN 41 8.762 -5.897 -3.827
329 HD21 ASN 41 HD21 ASN 41 9.071 -5.278 -0.425
330 HD22 ASN 41 HD22 ASN 41 10.652 -5.934 -0.254
331 H CYS 42 H CYS 42 6.848 -2.424 -3.772
332 HA CYS 42 HA CYS 42 6.213 -3.148 -6.503
333 HB2 CYS 42 HB2 CYS 42 4.474 -2.695 -4.722
334 HB3 CYS 42 HB3 CYS 42 4.938 -1.007 -4.751
335 H GLU 43 H GLU 43 6.436 0.108 -5.041
336 HA GLU 43 HA GLU 43 6.824 2.128 -5.998
337 HB2 GLU 43 HB2 GLU 43 8.932 1.461 -4.875
338 HB3 GLU 43 HB3 GLU 43 9.541 0.828 -6.406
339 HG2 GLU 43 HG2 GLU 43 9.356 3.128 -7.386
340 HG3 GLU 43 HG3 GLU 43 8.843 3.730 -5.811
341 H SER 44 H SER 44 5.505 2.242 -7.745
342 HA SER 44 HA SER 44 4.854 2.711 -9.836
343 HB2 SER 44 HB2 SER 44 7.071 3.896 -10.060
344 HB3 SER 44 HB3 SER 44 7.762 2.410 -10.719
345 HG SER 44 HG SER 44 5.815 2.650 -12.246
Start of MODEL 17
1 H1 ALA 1 H1 ALA 1 -5.228 4.052 14.264
2 H2 ALA 1 H2 ALA 1 -4.829 5.691 14.317
3 H3 ALA 1 H3 ALA 1 -3.688 4.560 13.790
4 HA ALA 1 HA ALA 1 -6.213 5.274 12.430
5 HB1 ALA 1 HB1 ALA 1 -4.733 6.221 10.681
6 HB2 ALA 1 HB2 ALA 1 -3.320 5.795 11.651
7 HB3 ALA 1 HB3 ALA 1 -4.462 7.001 12.242
8 HA PRO 2 HA PRO 2 -5.919 1.071 10.862
9 HB2 PRO 2 HB2 PRO 2 -7.626 1.944 8.565
10 HB3 PRO 2 HB3 PRO 2 -7.970 0.749 9.834
11 HG2 PRO 2 HG2 PRO 2 -9.226 3.103 9.821
12 HG3 PRO 2 HG3 PRO 2 -8.710 2.355 11.353
13 HD2 PRO 2 HD2 PRO 2 -7.340 4.555 9.789
14 HD3 PRO 2 HD3 PRO 2 -7.691 4.465 11.532
15 H CYS 3 H CYS 3 -5.992 3.304 8.058
16 HA CYS 3 HA CYS 3 -3.478 2.195 6.995
17 HB2 CYS 3 HB2 CYS 3 -6.058 2.340 5.351
18 HB3 CYS 3 HB3 CYS 3 -4.492 1.754 4.790
19 H GLU 4 H GLU 4 -4.523 4.843 8.126
20 HA GLU 4 HA GLU 4 -5.160 6.660 6.081
21 HB2 GLU 4 HB2 GLU 4 -4.096 7.088 8.893
22 HB3 GLU 4 HB3 GLU 4 -4.522 8.436 7.845
23 HG2 GLU 4 HG2 GLU 4 -6.434 6.243 8.707
24 HG3 GLU 4 HG3 GLU 4 -6.313 7.831 9.463
25 H ASP 5 H ASP 5 -1.994 6.192 7.717
26 HA ASP 5 HA ASP 5 -0.593 8.185 6.249
27 HB2 ASP 5 HB2 ASP 5 0.441 5.745 7.753
28 HB3 ASP 5 HB3 ASP 5 1.475 7.031 7.140
29 H LEU 6 H LEU 6 -1.085 4.743 5.839
30 HA LEU 6 HA LEU 6 0.791 4.274 3.760
31 HB2 LEU 6 HB2 LEU 6 -0.227 2.639 5.423
32 HB3 LEU 6 HB3 LEU 6 -1.683 2.652 4.449
33 HG LEU 6 HG LEU 6 0.934 1.891 3.113
34 HD11 LEU 6 HD11 LEU 6 -0.715 -0.002 4.798
35 HD12 LEU 6 HD12 LEU 6 0.888 0.617 5.210
36 HD13 LEU 6 HD13 LEU 6 0.684 -0.417 3.800
37 HD21 LEU 6 HD21 LEU 6 -1.928 0.924 2.720
38 HD22 LEU 6 HD22 LEU 6 -0.531 0.404 1.772
39 HD23 LEU 6 HD23 LEU 6 -1.075 2.077 1.692
40 H LYS 7 H LYS 7 -2.605 5.119 3.847
41 HA LYS 7 HA LYS 7 -3.358 4.762 1.155
42 HB2 LYS 7 HB2 LYS 7 -4.992 5.020 2.933
43 HB3 LYS 7 HB3 LYS 7 -4.346 6.595 3.368
44 HG2 LYS 7 HG2 LYS 7 -5.159 7.470 1.141
45 HG3 LYS 7 HG3 LYS 7 -5.925 5.897 0.871
46 HD2 LYS 7 HD2 LYS 7 -7.548 7.558 1.768
47 HD3 LYS 7 HD3 LYS 7 -7.327 6.203 2.879
48 HE2 LYS 7 HE2 LYS 7 -5.767 7.605 4.240
49 HE3 LYS 7 HE3 LYS 7 -6.035 8.951 3.131
50 HZ1 LYS 7 HZ1 LYS 7 -8.380 8.919 3.759
51 HZ2 LYS 7 HZ2 LYS 7 -7.387 9.170 5.103
52 HZ3 LYS 7 HZ3 LYS 7 -8.092 7.655 4.840
53 H GLU 8 H GLU 8 -1.943 7.478 2.909
54 HA GLU 8 HA GLU 8 -1.905 9.230 0.625
55 HB2 GLU 8 HB2 GLU 8 -0.472 9.491 3.292
56 HB3 GLU 8 HB3 GLU 8 -0.659 10.767 2.090
57 HG2 GLU 8 HG2 GLU 8 -2.866 9.435 3.678
58 HG3 GLU 8 HG3 GLU 8 -2.275 11.078 3.887
59 H ARG 9 H ARG 9 0.320 6.902 2.063
60 HA ARG 9 HA ARG 9 2.634 7.573 0.541
61 HB2 ARG 9 HB2 ARG 9 1.720 4.939 1.770
62 HB3 ARG 9 HB3 ARG 9 3.265 5.111 0.939
63 HG2 ARG 9 HG2 ARG 9 4.033 6.725 2.569
64 HG3 ARG 9 HG3 ARG 9 2.454 6.747 3.358
65 HD2 ARG 9 HD2 ARG 9 2.723 4.403 4.025
66 HD3 ARG 9 HD3 ARG 9 4.273 4.317 3.176
67 HE ARG 9 HE ARG 9 4.667 6.363 4.871
68 HH11 ARG 9 HH11 ARG 9 3.561 3.062 5.412
69 HH12 ARG 9 HH12 ARG 9 4.193 2.973 7.021
70 HH21 ARG 9 HH21 ARG 9 5.462 6.265 6.989
71 HH22 ARG 9 HH22 ARG 9 5.281 4.810 7.915
72 H LEU 10 H LEU 10 -0.278 5.729 -0.200
73 HA LEU 10 HA LEU 10 0.572 4.396 -2.536
74 HB2 LEU 10 HB2 LEU 10 -2.207 5.456 -1.881
75 HB3 LEU 10 HB3 LEU 10 -1.842 4.263 -3.116
76 HG LEU 10 HG LEU 10 -1.596 3.893 -0.110
77 HD11 LEU 10 HD11 LEU 10 -3.432 2.559 -2.104
78 HD12 LEU 10 HD12 LEU 10 -3.884 3.776 -0.905
79 HD13 LEU 10 HD13 LEU 10 -3.319 2.194 -0.378
80 HD21 LEU 10 HD21 LEU 10 -0.828 1.948 -2.301
81 HD22 LEU 10 HD22 LEU 10 -0.934 1.564 -0.582
82 HD23 LEU 10 HD23 LEU 10 0.259 2.727 -1.147
83 H LYS 11 H LYS 11 -0.996 7.562 -2.090
84 HA LYS 11 HA LYS 11 -0.792 8.230 -4.901
85 HB2 LYS 11 HB2 LYS 11 -1.889 10.383 -4.229
86 HB3 LYS 11 HB3 LYS 11 -2.788 8.936 -3.833
87 HG2 LYS 11 HG2 LYS 11 -3.126 10.221 -1.936
88 HG3 LYS 11 HG3 LYS 11 -1.766 9.217 -1.440
89 HD2 LYS 11 HD2 LYS 11 -1.463 11.562 -0.732
90 HD3 LYS 11 HD3 LYS 11 -0.210 11.090 -1.882
91 HE2 LYS 11 HE2 LYS 11 -1.444 12.260 -3.688
92 HE3 LYS 11 HE3 LYS 11 -2.703 12.708 -2.537
93 HZ1 LYS 11 HZ1 LYS 11 -1.128 14.023 -1.327
94 HZ2 LYS 11 HZ2 LYS 11 -1.109 14.500 -2.949
95 HZ3 LYS 11 HZ3 LYS 11 0.139 13.537 -2.334
96 H LYS 12 H LYS 12 1.136 8.833 -2.048
97 HA LYS 12 HA LYS 12 2.564 11.152 -3.001
98 HB2 LYS 12 HB2 LYS 12 2.328 10.642 -0.597
99 HB3 LYS 12 HB3 LYS 12 3.268 9.164 -0.808
100 HG2 LYS 12 HG2 LYS 12 5.255 10.512 -1.415
101 HG3 LYS 12 HG3 LYS 12 4.313 11.994 -1.224
102 HD2 LYS 12 HD2 LYS 12 4.928 9.980 0.966
103 HD3 LYS 12 HD3 LYS 12 5.715 11.543 0.758
104 HE2 LYS 12 HE2 LYS 12 3.485 12.654 1.113
105 HE3 LYS 12 HE3 LYS 12 2.787 11.069 1.439
106 HZ1 LYS 12 HZ1 LYS 12 4.256 10.853 3.332
107 HZ2 LYS 12 HZ2 LYS 12 3.317 12.250 3.465
108 HZ3 LYS 12 HZ3 LYS 12 4.945 12.361 3.013
109 H LEU 13 H LEU 13 3.243 7.703 -2.782
110 HA LEU 13 HA LEU 13 5.911 7.888 -3.865
111 HB2 LEU 13 HB2 LEU 13 4.921 6.209 -2.137
112 HB3 LEU 13 HB3 LEU 13 4.237 5.370 -3.510
113 HG LEU 13 HG LEU 13 7.245 5.817 -3.268
114 HD11 LEU 13 HD11 LEU 13 6.466 4.699 -1.204
115 HD12 LEU 13 HD12 LEU 13 7.447 3.625 -2.206
116 HD13 LEU 13 HD13 LEU 13 5.690 3.446 -2.182
117 HD21 LEU 13 HD21 LEU 13 7.385 3.814 -4.714
118 HD22 LEU 13 HD22 LEU 13 6.454 5.097 -5.483
119 HD23 LEU 13 HD23 LEU 13 5.620 3.722 -4.759
120 H GLY 14 H GLY 14 2.654 7.476 -5.003
121 HA2 GLY 14 HA2 GLY 14 1.680 7.368 -7.056
122 HA3 GLY 14 HA3 GLY 14 3.153 8.105 -7.666
123 H MET 15 H MET 15 2.560 4.936 -6.194
124 HA MET 15 HA MET 15 4.209 3.557 -8.114
125 HB2 MET 15 HB2 MET 15 3.730 1.571 -6.789
126 HB3 MET 15 HB3 MET 15 4.041 2.907 -5.697
127 HG2 MET 15 HG2 MET 15 1.533 3.163 -5.463
128 HG3 MET 15 HG3 MET 15 1.378 1.664 -6.369
129 HE1 MET 15 HE1 MET 15 2.541 3.329 -2.995
130 HE2 MET 15 HE2 MET 15 4.075 2.701 -3.607
131 HE3 MET 15 HE3 MET 15 3.319 1.968 -2.190
132 H SER 16 H SER 16 3.014 1.217 -8.729
133 HA SER 16 HA SER 16 1.246 1.705 -10.847
134 HB2 SER 16 HB2 SER 16 1.586 -0.888 -9.284
135 HB3 SER 16 HB3 SER 16 0.989 -0.733 -10.939
136 HG SER 16 HG SER 16 3.213 0.423 -11.136
137 H GLU 17 H GLU 17 -0.979 1.778 -10.973
138 HA GLU 17 HA GLU 17 -2.498 2.498 -8.713
139 HB2 GLU 17 HB2 GLU 17 -3.502 1.566 -11.436
140 HB3 GLU 17 HB3 GLU 17 -4.477 2.393 -10.221
141 HG2 GLU 17 HG2 GLU 17 -2.890 4.344 -10.382
142 HG3 GLU 17 HG3 GLU 17 -2.106 3.531 -11.734
143 H GLU 18 H GLU 18 -1.970 -0.572 -10.285
144 HA GLU 18 HA GLU 18 -4.104 -2.037 -9.092
145 HB2 GLU 18 HB2 GLU 18 -3.140 -2.825 -11.184
146 HB3 GLU 18 HB3 GLU 18 -1.535 -2.934 -10.465
147 HG2 GLU 18 HG2 GLU 18 -2.262 -4.780 -9.025
148 HG3 GLU 18 HG3 GLU 18 -3.916 -4.623 -9.612
149 H CYS 19 H CYS 19 -0.676 -1.465 -8.355
150 HA CYS 19 HA CYS 19 -0.330 -3.215 -6.210
151 HB2 CYS 19 HB2 CYS 19 0.902 -0.512 -6.820
152 HB3 CYS 19 HB3 CYS 19 1.418 -1.488 -5.464
153 H ARG 20 H ARG 20 -1.382 0.212 -6.259
154 HA ARG 20 HA ARG 20 -1.546 0.736 -3.523
155 HB2 ARG 20 HB2 ARG 20 -3.417 1.824 -5.685
156 HB3 ARG 20 HB3 ARG 20 -3.095 2.555 -4.111
157 HG2 ARG 20 HG2 ARG 20 -0.709 2.848 -4.805
158 HG3 ARG 20 HG3 ARG 20 -1.155 2.270 -6.415
159 HD2 ARG 20 HD2 ARG 20 -2.339 4.683 -5.024
160 HD3 ARG 20 HD3 ARG 20 -1.094 4.731 -6.270
161 HE ARG 20 HE ARG 20 -3.507 3.392 -7.086
162 HH11 ARG 20 HH11 ARG 20 -1.964 6.561 -6.861
163 HH12 ARG 20 HH12 ARG 20 -2.969 7.263 -8.087
164 HH21 ARG 20 HH21 ARG 20 -4.845 4.354 -8.645
165 HH22 ARG 20 HH22 ARG 20 -4.604 6.012 -9.102
166 H GLN 21 H GLN 21 -4.033 -0.459 -5.716
167 HA GLN 21 HA GLN 21 -6.148 -0.618 -3.849
168 HB2 GLN 21 HB2 GLN 21 -5.785 -2.122 -6.476
169 HB3 GLN 21 HB3 GLN 21 -7.310 -1.923 -5.609
170 HG2 GLN 21 HG2 GLN 21 -7.323 0.444 -5.987
171 HG3 GLN 21 HG3 GLN 21 -5.664 0.429 -6.573
172 HE21 GLN 21 HE21 GLN 21 -6.043 1.328 -8.535
173 HE22 GLN 21 HE22 GLN 21 -6.995 0.608 -9.780
174 H ARG 22 H ARG 22 -3.756 -3.036 -4.947
175 HA ARG 22 HA ARG 22 -4.612 -5.239 -3.395
176 HB2 ARG 22 HB2 ARG 22 -2.059 -4.489 -4.784
177 HB3 ARG 22 HB3 ARG 22 -1.869 -5.618 -3.456
178 HG2 ARG 22 HG2 ARG 22 -2.026 -6.913 -5.436
179 HG3 ARG 22 HG3 ARG 22 -3.546 -7.116 -4.567
180 HD2 ARG 22 HD2 ARG 22 -4.635 -5.505 -6.103
181 HD3 ARG 22 HD3 ARG 22 -3.108 -5.306 -6.970
182 HE ARG 22 HE ARG 22 -3.563 -7.997 -7.010
183 HH11 ARG 22 HH11 ARG 22 -5.466 -5.249 -8.091
184 HH12 ARG 22 HH12 ARG 22 -6.238 -6.137 -9.362
185 HH21 ARG 22 HH21 ARG 22 -4.497 -9.123 -8.714
186 HH22 ARG 22 HH22 ARG 22 -5.680 -8.350 -9.719
187 H LEU 23 H LEU 23 -2.633 -2.397 -2.608
188 HA LEU 23 HA LEU 23 -1.560 -3.465 -0.166
189 HB2 LEU 23 HB2 LEU 23 -1.619 -0.612 -1.203
190 HB3 LEU 23 HB3 LEU 23 -0.641 -1.198 0.123
191 HG LEU 23 HG LEU 23 -0.376 -1.983 -2.777
192 HD11 LEU 23 HD11 LEU 23 0.520 0.182 -2.355
193 HD12 LEU 23 HD12 LEU 23 1.815 -0.964 -2.676
194 HD13 LEU 23 HD13 LEU 23 1.493 -0.437 -1.018
195 HD21 LEU 23 HD21 LEU 23 1.181 -3.082 -0.438
196 HD22 LEU 23 HD22 LEU 23 1.578 -3.328 -2.138
197 HD23 LEU 23 HD23 LEU 23 0.073 -3.964 -1.489
198 H GLU 24 H GLU 24 -4.228 -1.244 -0.977
199 HA GLU 24 HA GLU 24 -5.114 -0.696 1.623
200 HB2 GLU 24 HB2 GLU 24 -6.710 -1.052 -0.943
201 HB3 GLU 24 HB3 GLU 24 -7.423 -0.519 0.578
202 HG2 GLU 24 HG2 GLU 24 -5.590 1.369 0.470
203 HG3 GLU 24 HG3 GLU 24 -5.512 0.946 -1.239
204 H LYS 25 H LYS 25 -5.548 -3.502 -0.485
205 HA LYS 25 HA LYS 25 -7.462 -4.845 1.165
206 HB2 LYS 25 HB2 LYS 25 -7.403 -5.331 -1.196
207 HB3 LYS 25 HB3 LYS 25 -5.702 -5.772 -1.142
208 HG2 LYS 25 HG2 LYS 25 -6.197 -7.815 0.075
209 HG3 LYS 25 HG3 LYS 25 -7.885 -7.345 0.275
210 HD2 LYS 25 HD2 LYS 25 -6.517 -7.989 -2.365
211 HD3 LYS 25 HD3 LYS 25 -7.612 -9.055 -1.484
212 HE2 LYS 25 HE2 LYS 25 -8.317 -6.399 -2.780
213 HE3 LYS 25 HE3 LYS 25 -8.831 -8.003 -3.294
214 HZ1 LYS 25 HZ1 LYS 25 -9.567 -6.702 -0.731
215 HZ2 LYS 25 HZ2 LYS 25 -10.081 -8.226 -1.246
216 HZ3 LYS 25 HZ3 LYS 25 -10.563 -6.842 -2.090
217 H MET 26 H MET 26 -3.926 -4.957 0.890
218 HA MET 26 HA MET 26 -3.532 -7.197 2.633
219 HB2 MET 26 HB2 MET 26 -1.617 -4.997 1.769
220 HB3 MET 26 HB3 MET 26 -1.145 -6.434 2.660
221 HG2 MET 26 HG2 MET 26 -2.344 -6.457 -0.120
222 HG3 MET 26 HG3 MET 26 -0.626 -6.531 0.232
223 HE1 MET 26 HE1 MET 26 -3.635 -9.996 0.512
224 HE2 MET 26 HE2 MET 26 -3.860 -8.459 -0.331
225 HE3 MET 26 HE3 MET 26 -3.989 -8.537 1.427
226 H CYS 27 H CYS 27 -3.856 -3.750 3.060
227 HA CYS 27 HA CYS 27 -2.984 -3.643 5.787
228 HB2 CYS 27 HB2 CYS 27 -2.934 -1.673 4.270
229 HB3 CYS 27 HB3 CYS 27 -4.693 -1.674 4.224
230 H LYS 28 H LYS 28 -6.152 -3.771 4.161
231 HA LYS 28 HA LYS 28 -7.678 -3.421 6.595
232 HB2 LYS 28 HB2 LYS 28 -8.547 -4.035 3.731
233 HB3 LYS 28 HB3 LYS 28 -9.663 -3.678 5.050
234 HG2 LYS 28 HG2 LYS 28 -8.845 -1.420 5.247
235 HG3 LYS 28 HG3 LYS 28 -7.499 -1.749 4.151
236 HD2 LYS 28 HD2 LYS 28 -9.244 -2.173 2.321
237 HD3 LYS 28 HD3 LYS 28 -10.458 -1.543 3.442
238 HE2 LYS 28 HE2 LYS 28 -9.228 0.596 3.559
239 HE3 LYS 28 HE3 LYS 28 -8.010 -0.049 2.455
240 HZ1 LYS 28 HZ1 LYS 28 -9.569 1.371 1.312
241 HZ2 LYS 28 HZ2 LYS 28 -10.872 0.406 1.798
242 HZ3 LYS 28 HZ3 LYS 28 -9.699 -0.215 0.750
243 H GLU 29 H GLU 29 -6.807 -6.094 4.483
244 HA GLU 29 HA GLU 29 -8.317 -8.040 6.142
245 HB2 GLU 29 HB2 GLU 29 -7.258 -8.325 3.290
246 HB3 GLU 29 HB3 GLU 29 -8.141 -9.562 4.180
247 HG2 GLU 29 HG2 GLU 29 -10.115 -8.021 4.283
248 HG3 GLU 29 HG3 GLU 29 -9.220 -6.871 3.291
249 H GLY 30 H GLY 30 -5.620 -6.773 6.626
250 HA2 GLY 30 HA2 GLY 30 -4.360 -9.131 7.710
251 HA3 GLY 30 HA3 GLY 30 -3.419 -8.392 6.408
252 H THR 31 H THR 31 -2.022 -6.854 7.030
253 HA THR 31 HA THR 31 -2.744 -4.936 9.151
254 HB THR 31 HB THR 31 -0.378 -4.943 10.042
255 HG1 THR 31 HG1 THR 31 -0.168 -7.228 8.387
256 HG21 THR 31 HG21 THR 31 -0.523 -6.981 11.428
257 HG22 THR 31 HG22 THR 31 -1.760 -7.630 10.350
258 HG23 THR 31 HG23 THR 31 -2.098 -6.192 11.315
259 H SER 32 H SER 32 -1.694 -2.886 8.884
260 HA SER 32 HA SER 32 -1.091 -2.048 6.252
261 HB2 SER 32 HB2 SER 32 -0.392 0.102 7.337
262 HB3 SER 32 HB3 SER 32 -1.959 -0.472 7.913
263 HG SER 32 HG SER 32 0.330 -0.045 9.292
264 H GLU 33 H GLU 33 0.891 -3.305 8.839
265 HA GLU 33 HA GLU 33 3.472 -2.574 8.043
266 HB2 GLU 33 HB2 GLU 33 2.579 -5.175 9.364
267 HB3 GLU 33 HB3 GLU 33 4.221 -4.533 9.366
268 HG2 GLU 33 HG2 GLU 33 3.514 -2.622 10.722
269 HG3 GLU 33 HG3 GLU 33 1.834 -3.159 10.650
270 H ASP 34 H ASP 34 1.492 -5.416 7.106
271 HA ASP 34 HA ASP 34 3.399 -6.626 5.364
272 HB2 ASP 34 HB2 ASP 34 0.363 -6.907 5.451
273 HB3 ASP 34 HB3 ASP 34 1.402 -7.885 4.417
274 H ALA 35 H ALA 35 0.852 -4.247 4.908
275 HA ALA 35 HA ALA 35 0.694 -4.330 2.074
276 HB1 ALA 35 HB1 ALA 35 -0.172 -2.195 4.035
277 HB2 ALA 35 HB2 ALA 35 -1.145 -3.547 3.458
278 HB3 ALA 35 HB3 ALA 35 -0.653 -2.279 2.334
279 H GLU 36 H GLU 36 2.365 -2.043 4.305
280 HA GLU 36 HA GLU 36 3.566 -0.538 2.190
281 HB2 GLU 36 HB2 GLU 36 4.955 0.523 3.909
282 HB3 GLU 36 HB3 GLU 36 3.263 0.483 4.393
283 HG2 GLU 36 HG2 GLU 36 3.733 -1.437 5.881
284 HG3 GLU 36 HG3 GLU 36 5.428 -1.393 5.399
285 H ARG 37 H ARG 37 4.488 -3.443 3.942
286 HA ARG 37 HA ARG 37 7.148 -3.685 2.997
287 HB2 ARG 37 HB2 ARG 37 6.262 -5.017 4.874
288 HB3 ARG 37 HB3 ARG 37 5.159 -5.851 3.782
289 HG2 ARG 37 HG2 ARG 37 7.051 -6.884 2.608
290 HG3 ARG 37 HG3 ARG 37 8.191 -5.986 3.614
291 HD2 ARG 37 HD2 ARG 37 7.317 -7.159 5.619
292 HD3 ARG 37 HD3 ARG 37 6.229 -8.086 4.585
293 HE ARG 37 HE ARG 37 8.251 -9.025 3.507
294 HH11 ARG 37 HH11 ARG 37 8.533 -7.732 6.760
295 HH12 ARG 37 HH12 ARG 37 9.918 -8.695 7.157
296 HH21 ARG 37 HH21 ARG 37 10.072 -10.276 4.016
297 HH22 ARG 37 HH22 ARG 37 10.796 -10.149 5.588
298 H MET 38 H MET 38 4.014 -4.590 1.544
299 HA MET 38 HA MET 38 5.250 -5.776 -0.804
300 HB2 MET 38 HB2 MET 38 2.359 -5.003 -0.249
301 HB3 MET 38 HB3 MET 38 2.905 -5.857 -1.685
302 HG2 MET 38 HG2 MET 38 3.104 -6.912 1.150
303 HG3 MET 38 HG3 MET 38 1.863 -7.350 -0.016
304 HE1 MET 38 HE1 MET 38 5.859 -7.459 0.557
305 HE2 MET 38 HE2 MET 38 6.002 -9.208 0.390
306 HE3 MET 38 HE3 MET 38 4.962 -8.525 1.641
307 H ALA 39 H ALA 39 4.256 -2.589 0.200
308 HA ALA 39 HA ALA 39 3.947 -1.304 -2.305
309 HB1 ALA 39 HB1 ALA 39 4.192 0.788 -1.047
310 HB2 ALA 39 HB2 ALA 39 4.827 -0.103 0.341
311 HB3 ALA 39 HB3 ALA 39 3.158 -0.348 -0.177
312 H ARG 40 H ARG 40 6.733 -1.694 -0.166
313 HA ARG 40 HA ARG 40 8.604 -0.206 -1.712
314 HB2 ARG 40 HB2 ARG 40 10.284 -1.150 -0.214
315 HB3 ARG 40 HB3 ARG 40 8.869 -0.647 0.702
316 HG2 ARG 40 HG2 ARG 40 8.108 -2.992 0.806
317 HG3 ARG 40 HG3 ARG 40 9.556 -3.499 -0.070
318 HD2 ARG 40 HD2 ARG 40 9.494 -2.143 2.645
319 HD3 ARG 40 HD3 ARG 40 9.767 -3.862 2.362
320 HE ARG 40 HE ARG 40 11.750 -2.876 0.935
321 HH11 ARG 40 HH11 ARG 40 10.698 -1.835 4.133
322 HH12 ARG 40 HH12 ARG 40 12.276 -1.302 4.613
323 HH21 ARG 40 HH21 ARG 40 13.795 -2.157 1.546
324 HH22 ARG 40 HH22 ARG 40 14.052 -1.491 3.127
325 H ASN 41 H ASN 41 7.242 -3.291 -2.154
326 HA ASN 41 HA ASN 41 9.448 -4.333 -3.813
327 HB2 ASN 41 HB2 ASN 41 6.823 -5.610 -2.911
328 HB3 ASN 41 HB3 ASN 41 8.035 -6.411 -3.909
329 HD21 ASN 41 HD21 ASN 41 6.942 -6.903 -1.153
330 HD22 ASN 41 HD22 ASN 41 8.338 -7.108 -0.166
331 H CYS 42 H CYS 42 6.502 -2.611 -4.114
332 HA CYS 42 HA CYS 42 5.915 -3.385 -6.848
333 HB2 CYS 42 HB2 CYS 42 4.048 -2.695 -5.417
334 HB3 CYS 42 HB3 CYS 42 4.809 -1.134 -5.127
335 H GLU 43 H GLU 43 7.156 -0.453 -5.205
336 HA GLU 43 HA GLU 43 8.092 1.466 -5.884
337 HB2 GLU 43 HB2 GLU 43 10.002 0.059 -6.541
338 HB3 GLU 43 HB3 GLU 43 9.257 -0.275 -8.102
339 HG2 GLU 43 HG2 GLU 43 9.408 2.185 -8.626
340 HG3 GLU 43 HG3 GLU 43 10.308 2.408 -7.130
341 H SER 44 H SER 44 7.542 0.138 -9.140
342 HA SER 44 HA SER 44 5.183 1.394 -9.869
343 HB2 SER 44 HB2 SER 44 6.393 3.554 -9.618
344 HB3 SER 44 HB3 SER 44 7.655 3.003 -10.718
345 HG SER 44 HG SER 44 5.012 2.922 -11.620
Start of MODEL 18
1 H1 ALA 1 H1 ALA 1 -2.692 5.827 12.567
2 H2 ALA 1 H2 ALA 1 -3.698 4.706 13.331
3 H3 ALA 1 H3 ALA 1 -4.105 6.344 13.342
4 HA ALA 1 HA ALA 1 -5.447 5.111 11.775
5 HB1 ALA 1 HB1 ALA 1 -3.502 7.051 10.494
6 HB2 ALA 1 HB2 ALA 1 -4.964 7.484 11.382
7 HB3 ALA 1 HB3 ALA 1 -5.089 6.607 9.857
8 HA PRO 2 HA PRO 2 -2.810 1.723 10.313
9 HB2 PRO 2 HB2 PRO 2 -4.771 0.034 9.388
10 HB3 PRO 2 HB3 PRO 2 -4.436 0.255 11.117
11 HG2 PRO 2 HG2 PRO 2 -6.599 1.501 9.447
12 HG3 PRO 2 HG3 PRO 2 -6.693 0.826 11.090
13 HD2 PRO 2 HD2 PRO 2 -6.505 3.512 10.627
14 HD3 PRO 2 HD3 PRO 2 -5.833 2.750 12.082
15 H CYS 3 H CYS 3 -5.350 3.097 8.198
16 HA CYS 3 HA CYS 3 -3.850 2.172 5.817
17 HB2 CYS 3 HB2 CYS 3 -6.822 2.639 6.205
18 HB3 CYS 3 HB3 CYS 3 -6.080 2.328 4.638
19 H GLU 4 H GLU 4 -4.758 5.079 7.482
20 HA GLU 4 HA GLU 4 -4.988 6.783 5.184
21 HB2 GLU 4 HB2 GLU 4 -4.503 7.410 8.109
22 HB3 GLU 4 HB3 GLU 4 -4.525 8.678 6.886
23 HG2 GLU 4 HG2 GLU 4 -6.838 7.984 6.257
24 HG3 GLU 4 HG3 GLU 4 -6.819 6.816 7.581
25 H ASP 5 H ASP 5 -2.271 6.106 7.420
26 HA ASP 5 HA ASP 5 -0.318 7.750 6.220
27 HB2 ASP 5 HB2 ASP 5 0.081 5.110 7.701
28 HB3 ASP 5 HB3 ASP 5 1.370 6.254 7.324
29 H LEU 6 H LEU 6 -1.394 4.499 5.521
30 HA LEU 6 HA LEU 6 0.596 3.887 3.566
31 HB2 LEU 6 HB2 LEU 6 -0.626 2.235 5.018
32 HB3 LEU 6 HB3 LEU 6 -2.073 2.535 4.078
33 HG LEU 6 HG LEU 6 0.415 1.558 2.644
34 HD11 LEU 6 HD11 LEU 6 -1.478 -0.259 4.144
35 HD12 LEU 6 HD12 LEU 6 0.209 0.056 4.558
36 HD13 LEU 6 HD13 LEU 6 -0.186 -0.763 3.050
37 HD21 LEU 6 HD21 LEU 6 -1.224 0.457 1.154
38 HD22 LEU 6 HD22 LEU 6 -1.527 2.187 1.265
39 HD23 LEU 6 HD23 LEU 6 -2.550 1.060 2.157
40 H LYS 7 H LYS 7 -2.680 5.210 3.508
41 HA LYS 7 HA LYS 7 -3.102 5.221 0.706
42 HB2 LYS 7 HB2 LYS 7 -4.922 5.590 2.332
43 HB3 LYS 7 HB3 LYS 7 -4.169 7.085 2.864
44 HG2 LYS 7 HG2 LYS 7 -6.001 7.679 1.436
45 HG3 LYS 7 HG3 LYS 7 -4.518 8.016 0.539
46 HD2 LYS 7 HD2 LYS 7 -6.132 6.964 -0.947
47 HD3 LYS 7 HD3 LYS 7 -4.804 5.831 -0.679
48 HE2 LYS 7 HE2 LYS 7 -6.179 4.590 0.940
49 HE3 LYS 7 HE3 LYS 7 -7.474 5.777 0.776
50 HZ1 LYS 7 HZ1 LYS 7 -7.705 5.136 -1.530
51 HZ2 LYS 7 HZ2 LYS 7 -7.915 3.811 -0.501
52 HZ3 LYS 7 HZ3 LYS 7 -6.473 3.994 -1.356
53 H GLU 8 H GLU 8 -1.526 7.470 2.943
54 HA GLU 8 HA GLU 8 -0.948 9.512 1.071
55 HB2 GLU 8 HB2 GLU 8 0.467 8.803 3.668
56 HB3 GLU 8 HB3 GLU 8 0.769 10.269 2.736
57 HG2 GLU 8 HG2 GLU 8 -1.768 9.500 4.201
58 HG3 GLU 8 HG3 GLU 8 -0.681 10.837 4.558
59 H ARG 9 H ARG 9 0.712 6.498 1.941
60 HA ARG 9 HA ARG 9 3.068 6.936 0.394
61 HB2 ARG 9 HB2 ARG 9 1.717 4.313 1.157
62 HB3 ARG 9 HB3 ARG 9 3.320 4.429 0.432
63 HG2 ARG 9 HG2 ARG 9 4.139 5.664 2.392
64 HG3 ARG 9 HG3 ARG 9 2.529 5.614 3.119
65 HD2 ARG 9 HD2 ARG 9 2.645 3.143 3.196
66 HD3 ARG 9 HD3 ARG 9 4.258 3.195 2.478
67 HE ARG 9 HE ARG 9 5.056 4.279 4.481
68 HH11 ARG 9 HH11 ARG 9 1.871 2.816 4.789
69 HH12 ARG 9 HH12 ARG 9 1.971 2.700 6.513
70 HH21 ARG 9 HH21 ARG 9 5.174 4.101 6.722
71 HH22 ARG 9 HH22 ARG 9 3.845 3.433 7.613
72 H LEU 10 H LEU 10 -0.140 5.649 -0.392
73 HA LEU 10 HA LEU 10 0.433 4.783 -3.035
74 HB2 LEU 10 HB2 LEU 10 -2.213 5.670 -1.811
75 HB3 LEU 10 HB3 LEU 10 -2.052 4.841 -3.353
76 HG LEU 10 HG LEU 10 -1.498 3.679 -0.584
77 HD11 LEU 10 HD11 LEU 10 -3.834 3.706 -1.188
78 HD12 LEU 10 HD12 LEU 10 -3.200 2.063 -1.134
79 HD13 LEU 10 HD13 LEU 10 -3.473 2.851 -2.692
80 HD21 LEU 10 HD21 LEU 10 0.266 2.898 -2.055
81 HD22 LEU 10 HD22 LEU 10 -0.926 2.399 -3.259
82 HD23 LEU 10 HD23 LEU 10 -0.861 1.599 -1.686
83 H LYS 11 H LYS 11 -0.769 7.862 -1.726
84 HA LYS 11 HA LYS 11 -1.187 9.138 -4.259
85 HB2 LYS 11 HB2 LYS 11 -0.962 10.271 -1.450
86 HB3 LYS 11 HB3 LYS 11 -1.501 11.187 -2.852
87 HG2 LYS 11 HG2 LYS 11 -3.546 10.009 -2.996
88 HG3 LYS 11 HG3 LYS 11 -2.958 8.675 -2.002
89 HD2 LYS 11 HD2 LYS 11 -4.573 10.098 -0.772
90 HD3 LYS 11 HD3 LYS 11 -2.985 10.089 -0.005
91 HE2 LYS 11 HE2 LYS 11 -2.504 12.305 -1.044
92 HE3 LYS 11 HE3 LYS 11 -4.120 12.299 -1.756
93 HZ1 LYS 11 HZ1 LYS 11 -3.533 12.218 1.154
94 HZ2 LYS 11 HZ2 LYS 11 -5.068 12.297 0.448
95 HZ3 LYS 11 HZ3 LYS 11 -3.998 13.597 0.290
96 H LYS 12 H LYS 12 1.335 9.432 -1.746
97 HA LYS 12 HA LYS 12 2.665 11.646 -3.011
98 HB2 LYS 12 HB2 LYS 12 2.465 11.221 -0.498
99 HB3 LYS 12 HB3 LYS 12 3.658 9.950 -0.685
100 HG2 LYS 12 HG2 LYS 12 4.280 12.789 -1.505
101 HG3 LYS 12 HG3 LYS 12 4.401 12.295 0.183
102 HD2 LYS 12 HD2 LYS 12 6.074 10.581 -0.427
103 HD3 LYS 12 HD3 LYS 12 5.918 11.011 -2.130
104 HE2 LYS 12 HE2 LYS 12 6.738 13.319 -1.538
105 HE3 LYS 12 HE3 LYS 12 7.049 12.728 0.098
106 HZ1 LYS 12 HZ1 LYS 12 8.268 11.668 -2.395
107 HZ2 LYS 12 HZ2 LYS 12 8.559 11.087 -0.836
108 HZ3 LYS 12 HZ3 LYS 12 9.035 12.653 -1.255
109 H LEU 13 H LEU 13 3.338 8.153 -2.647
110 HA LEU 13 HA LEU 13 5.931 8.342 -3.921
111 HB2 LEU 13 HB2 LEU 13 5.370 6.662 -2.146
112 HB3 LEU 13 HB3 LEU 13 4.274 5.883 -3.272
113 HG LEU 13 HG LEU 13 6.226 5.368 -4.769
114 HD11 LEU 13 HD11 LEU 13 7.714 7.171 -4.094
115 HD12 LEU 13 HD12 LEU 13 8.507 5.611 -3.905
116 HD13 LEU 13 HD13 LEU 13 7.888 6.461 -2.486
117 HD21 LEU 13 HD21 LEU 13 6.474 4.295 -1.943
118 HD22 LEU 13 HD22 LEU 13 7.162 3.558 -3.395
119 HD23 LEU 13 HD23 LEU 13 5.414 3.669 -3.209
120 H GLY 14 H GLY 14 2.635 7.773 -4.914
121 HA2 GLY 14 HA2 GLY 14 1.618 7.484 -6.941
122 HA3 GLY 14 HA3 GLY 14 3.008 8.323 -7.612
123 H MET 15 H MET 15 2.111 5.112 -6.350
124 HA MET 15 HA MET 15 4.006 3.758 -8.126
125 HB2 MET 15 HB2 MET 15 3.516 1.768 -6.841
126 HB3 MET 15 HB3 MET 15 3.796 3.101 -5.730
127 HG2 MET 15 HG2 MET 15 1.306 3.327 -5.466
128 HG3 MET 15 HG3 MET 15 1.118 1.909 -6.488
129 HE1 MET 15 HE1 MET 15 2.442 3.258 -3.025
130 HE2 MET 15 HE2 MET 15 3.913 2.562 -3.716
131 HE3 MET 15 HE3 MET 15 3.135 1.791 -2.335
132 H SER 16 H SER 16 2.751 1.387 -8.726
133 HA SER 16 HA SER 16 0.999 2.014 -10.878
134 HB2 SER 16 HB2 SER 16 1.507 -0.685 -9.547
135 HB3 SER 16 HB3 SER 16 0.783 -0.434 -11.137
136 HG SER 16 HG SER 16 2.920 0.800 -11.460
137 H GLU 17 H GLU 17 -1.229 1.692 -11.075
138 HA GLU 17 HA GLU 17 -2.868 2.262 -8.848
139 HB2 GLU 17 HB2 GLU 17 -3.700 1.150 -11.562
140 HB3 GLU 17 HB3 GLU 17 -4.767 1.930 -10.393
141 HG2 GLU 17 HG2 GLU 17 -3.378 4.016 -10.633
142 HG3 GLU 17 HG3 GLU 17 -2.499 3.224 -11.936
143 H GLU 18 H GLU 18 -1.907 -0.720 -10.386
144 HA GLU 18 HA GLU 18 -3.842 -2.497 -9.318
145 HB2 GLU 18 HB2 GLU 18 -2.484 -3.074 -11.291
146 HB3 GLU 18 HB3 GLU 18 -1.007 -2.951 -10.339
147 HG2 GLU 18 HG2 GLU 18 -1.726 -4.900 -8.977
148 HG3 GLU 18 HG3 GLU 18 -3.187 -5.040 -9.960
149 H CYS 19 H CYS 19 -0.566 -1.471 -8.371
150 HA CYS 19 HA CYS 19 -0.118 -3.153 -6.188
151 HB2 CYS 19 HB2 CYS 19 0.866 -0.317 -6.691
152 HB3 CYS 19 HB3 CYS 19 1.524 -1.409 -5.489
153 H ARG 20 H ARG 20 -1.563 0.099 -6.374
154 HA ARG 20 HA ARG 20 -2.043 0.722 -3.720
155 HB2 ARG 20 HB2 ARG 20 -3.925 1.223 -6.061
156 HB3 ARG 20 HB3 ARG 20 -4.022 2.009 -4.482
157 HG2 ARG 20 HG2 ARG 20 -1.699 2.928 -4.942
158 HG3 ARG 20 HG3 ARG 20 -1.912 2.353 -6.607
159 HD2 ARG 20 HD2 ARG 20 -3.820 4.190 -5.152
160 HD3 ARG 20 HD3 ARG 20 -2.566 4.729 -6.273
161 HE ARG 20 HE ARG 20 -4.656 2.864 -7.183
162 HH11 ARG 20 HH11 ARG 20 -3.159 6.031 -7.437
163 HH12 ARG 20 HH12 ARG 20 -4.041 6.452 -8.868
164 HH21 ARG 20 HH21 ARG 20 -5.858 3.488 -9.002
165 HH22 ARG 20 HH22 ARG 20 -5.564 5.019 -9.754
166 H GLN 21 H GLN 21 -4.111 -1.019 -5.967
167 HA GLN 21 HA GLN 21 -6.328 -1.366 -4.301
168 HB2 GLN 21 HB2 GLN 21 -5.445 -3.012 -6.715
169 HB3 GLN 21 HB3 GLN 21 -7.068 -3.048 -6.020
170 HG2 GLN 21 HG2 GLN 21 -7.534 -0.820 -6.694
171 HG3 GLN 21 HG3 GLN 21 -5.835 -0.460 -6.991
172 HE21 GLN 21 HE21 GLN 21 -6.095 0.243 -9.056
173 HE22 GLN 21 HE22 GLN 21 -6.543 -0.774 -10.375
174 H ARG 22 H ARG 22 -3.451 -3.369 -4.817
175 HA ARG 22 HA ARG 22 -4.234 -5.577 -3.155
176 HB2 ARG 22 HB2 ARG 22 -1.608 -4.696 -4.388
177 HB3 ARG 22 HB3 ARG 22 -1.602 -5.938 -3.151
178 HG2 ARG 22 HG2 ARG 22 -1.571 -7.019 -5.296
179 HG3 ARG 22 HG3 ARG 22 -3.139 -7.310 -4.546
180 HD2 ARG 22 HD2 ARG 22 -4.134 -5.535 -5.936
181 HD3 ARG 22 HD3 ARG 22 -2.564 -5.244 -6.687
182 HE ARG 22 HE ARG 22 -2.872 -7.803 -7.282
183 HH11 ARG 22 HH11 ARG 22 -5.249 -5.207 -7.469
184 HH12 ARG 22 HH12 ARG 22 -6.119 -5.926 -8.782
185 HH21 ARG 22 HH21 ARG 22 -4.015 -8.719 -9.043
186 HH22 ARG 22 HH22 ARG 22 -5.417 -7.914 -9.676
187 H LEU 23 H LEU 23 -2.603 -2.497 -2.646
188 HA LEU 23 HA LEU 23 -1.652 -3.144 -0.010
189 HB2 LEU 23 HB2 LEU 23 -1.825 -0.546 -1.531
190 HB3 LEU 23 HB3 LEU 23 -1.057 -0.728 0.034
191 HG LEU 23 HG LEU 23 -0.214 -2.098 -2.534
192 HD11 LEU 23 HD11 LEU 23 1.835 -0.838 -2.366
193 HD12 LEU 23 HD12 LEU 23 1.200 0.029 -0.963
194 HD13 LEU 23 HD13 LEU 23 0.428 0.200 -2.545
195 HD21 LEU 23 HD21 LEU 23 0.154 -3.638 -0.722
196 HD22 LEU 23 HD22 LEU 23 0.982 -2.394 0.222
197 HD23 LEU 23 HD23 LEU 23 1.693 -2.994 -1.278
198 H GLU 24 H GLU 24 -4.506 -1.634 -1.305
199 HA GLU 24 HA GLU 24 -5.685 -0.494 0.951
200 HB2 GLU 24 HB2 GLU 24 -6.929 -1.942 -1.435
201 HB3 GLU 24 HB3 GLU 24 -7.900 -1.134 -0.210
202 HG2 GLU 24 HG2 GLU 24 -5.910 0.188 -2.067
203 HG3 GLU 24 HG3 GLU 24 -7.668 0.205 -2.236
204 H LYS 25 H LYS 25 -5.737 -3.746 -0.386
205 HA LYS 25 HA LYS 25 -7.627 -4.683 1.594
206 HB2 LYS 25 HB2 LYS 25 -7.482 -6.799 0.423
207 HB3 LYS 25 HB3 LYS 25 -7.822 -5.503 -0.681
208 HG2 LYS 25 HG2 LYS 25 -5.617 -5.606 -1.605
209 HG3 LYS 25 HG3 LYS 25 -5.041 -6.664 -0.317
210 HD2 LYS 25 HD2 LYS 25 -7.150 -7.434 -2.374
211 HD3 LYS 25 HD3 LYS 25 -5.438 -7.854 -2.487
212 HE2 LYS 25 HE2 LYS 25 -5.581 -9.189 -0.451
213 HE3 LYS 25 HE3 LYS 25 -7.248 -8.676 -0.181
214 HZ1 LYS 25 HZ1 LYS 25 -7.899 -9.817 -2.177
215 HZ2 LYS 25 HZ2 LYS 25 -7.108 -10.887 -1.134
216 HZ3 LYS 25 HZ3 LYS 25 -6.302 -10.275 -2.488
217 H MET 26 H MET 26 -4.159 -5.045 0.928
218 HA MET 26 HA MET 26 -3.616 -6.906 3.000
219 HB2 MET 26 HB2 MET 26 -1.820 -4.955 1.519
220 HB3 MET 26 HB3 MET 26 -1.219 -6.049 2.754
221 HG2 MET 26 HG2 MET 26 -2.596 -6.961 0.217
222 HG3 MET 26 HG3 MET 26 -0.853 -6.830 0.410
223 HE1 MET 26 HE1 MET 26 -3.839 -9.209 0.611
224 HE2 MET 26 HE2 MET 26 -4.037 -8.551 2.237
225 HE3 MET 26 HE3 MET 26 -3.524 -10.225 2.016
226 H CYS 27 H CYS 27 -3.961 -3.389 2.970
227 HA CYS 27 HA CYS 27 -3.112 -3.011 5.700
228 HB2 CYS 27 HB2 CYS 27 -3.146 -1.138 4.065
229 HB3 CYS 27 HB3 CYS 27 -4.903 -1.255 3.973
230 H LYS 28 H LYS 28 -6.250 -3.440 4.086
231 HA LYS 28 HA LYS 28 -7.786 -2.778 6.453
232 HB2 LYS 28 HB2 LYS 28 -8.511 -3.414 3.575
233 HB3 LYS 28 HB3 LYS 28 -9.752 -3.157 4.796
234 HG2 LYS 28 HG2 LYS 28 -9.290 -0.872 4.992
235 HG3 LYS 28 HG3 LYS 28 -7.626 -1.046 4.438
236 HD2 LYS 28 HD2 LYS 28 -9.134 0.161 2.824
237 HD3 LYS 28 HD3 LYS 28 -8.315 -1.241 2.143
238 HE2 LYS 28 HE2 LYS 28 -10.661 -1.085 1.400
239 HE3 LYS 28 HE3 LYS 28 -10.372 -2.562 2.321
240 HZ1 LYS 28 HZ1 LYS 28 -11.352 -1.490 4.258
241 HZ2 LYS 28 HZ2 LYS 28 -12.440 -1.515 2.966
242 HZ3 LYS 28 HZ3 LYS 28 -11.633 -0.083 3.363
243 H GLU 29 H GLU 29 -8.003 -5.551 4.191
244 HA GLU 29 HA GLU 29 -9.096 -7.272 6.320
245 HB2 GLU 29 HB2 GLU 29 -9.586 -8.855 4.441
246 HB3 GLU 29 HB3 GLU 29 -10.330 -7.276 4.218
247 HG2 GLU 29 HG2 GLU 29 -8.428 -6.678 2.683
248 HG3 GLU 29 HG3 GLU 29 -7.863 -8.342 2.818
249 H GLY 30 H GLY 30 -6.130 -6.346 5.779
250 HA2 GLY 30 HA2 GLY 30 -4.907 -8.987 6.361
251 HA3 GLY 30 HA3 GLY 30 -4.179 -7.896 5.184
252 H THR 31 H THR 31 -2.270 -7.703 6.406
253 HA THR 31 HA THR 31 -2.422 -6.139 8.928
254 HB THR 31 HB THR 31 0.008 -7.043 9.209
255 HG1 THR 31 HG1 THR 31 0.636 -8.654 7.909
256 HG21 THR 31 HG21 THR 31 -2.288 -9.038 9.328
257 HG22 THR 31 HG22 THR 31 -1.842 -7.897 10.603
258 HG23 THR 31 HG23 THR 31 -0.742 -9.205 10.156
259 H SER 32 H SER 32 -1.898 -4.066 8.664
260 HA SER 32 HA SER 32 -1.046 -2.866 6.270
261 HB2 SER 32 HB2 SER 32 -0.934 -1.650 9.066
262 HB3 SER 32 HB3 SER 32 -1.024 -0.769 7.538
263 HG SER 32 HG SER 32 -3.082 -0.841 7.950
264 H GLU 33 H GLU 33 0.774 -4.166 8.939
265 HA GLU 33 HA GLU 33 3.236 -2.767 8.546
266 HB2 GLU 33 HB2 GLU 33 2.659 -5.413 9.939
267 HB3 GLU 33 HB3 GLU 33 4.167 -4.500 10.069
268 HG2 GLU 33 HG2 GLU 33 2.942 -2.610 11.080
269 HG3 GLU 33 HG3 GLU 33 1.433 -3.517 10.959
270 H ASP 34 H ASP 34 1.886 -5.791 7.268
271 HA ASP 34 HA ASP 34 4.251 -6.466 5.731
272 HB2 ASP 34 HB2 ASP 34 1.402 -7.547 5.761
273 HB3 ASP 34 HB3 ASP 34 2.576 -8.080 4.550
274 H ALA 35 H ALA 35 1.258 -4.712 5.246
275 HA ALA 35 HA ALA 35 1.240 -4.596 2.415
276 HB1 ALA 35 HB1 ALA 35 -0.484 -2.874 2.701
277 HB2 ALA 35 HB2 ALA 35 -0.059 -2.711 4.407
278 HB3 ALA 35 HB3 ALA 35 -0.751 -4.220 3.816
279 H GLU 36 H GLU 36 2.550 -2.324 4.858
280 HA GLU 36 HA GLU 36 3.358 -0.268 3.093
281 HB2 GLU 36 HB2 GLU 36 4.829 0.489 4.932
282 HB3 GLU 36 HB3 GLU 36 3.210 0.102 5.509
283 HG2 GLU 36 HG2 GLU 36 4.007 -2.062 6.348
284 HG3 GLU 36 HG3 GLU 36 5.628 -1.712 5.750
285 H ARG 37 H ARG 37 4.859 -3.314 3.995
286 HA ARG 37 HA ARG 37 7.425 -2.903 2.822
287 HB2 ARG 37 HB2 ARG 37 6.831 -4.661 4.547
288 HB3 ARG 37 HB3 ARG 37 5.952 -5.524 3.291
289 HG2 ARG 37 HG2 ARG 37 8.197 -5.588 2.004
290 HG3 ARG 37 HG3 ARG 37 8.939 -5.074 3.523
291 HD2 ARG 37 HD2 ARG 37 7.418 -7.632 2.959
292 HD3 ARG 37 HD3 ARG 37 9.107 -7.460 3.437
293 HE ARG 37 HE ARG 37 8.145 -6.537 5.617
294 HH11 ARG 37 HH11 ARG 37 6.481 -9.001 3.725
295 HH12 ARG 37 HH12 ARG 37 5.647 -9.655 5.100
296 HH21 ARG 37 HH21 ARG 37 6.997 -7.372 7.384
297 HH22 ARG 37 HH22 ARG 37 5.942 -8.735 7.169
298 H MET 38 H MET 38 4.410 -4.512 1.716
299 HA MET 38 HA MET 38 5.267 -5.249 -0.851
300 HB2 MET 38 HB2 MET 38 2.410 -4.572 -0.071
301 HB3 MET 38 HB3 MET 38 2.931 -5.621 -1.382
302 HG2 MET 38 HG2 MET 38 3.074 -6.167 1.589
303 HG3 MET 38 HG3 MET 38 2.087 -6.994 0.392
304 HE1 MET 38 HE1 MET 38 3.120 -8.588 -1.489
305 HE2 MET 38 HE2 MET 38 4.842 -8.940 -1.636
306 HE3 MET 38 HE3 MET 38 4.243 -7.316 -1.977
307 H ALA 39 H ALA 39 4.165 -2.181 0.410
308 HA ALA 39 HA ALA 39 3.585 -0.753 -1.936
309 HB1 ALA 39 HB1 ALA 39 4.834 0.295 0.629
310 HB2 ALA 39 HB2 ALA 39 3.104 0.106 0.331
311 HB3 ALA 39 HB3 ALA 39 4.044 1.270 -0.607
312 H ARG 40 H ARG 40 6.633 -1.303 -0.222
313 HA ARG 40 HA ARG 40 8.342 0.005 -2.094
314 HB2 ARG 40 HB2 ARG 40 8.984 -2.213 -0.101
315 HB3 ARG 40 HB3 ARG 40 10.172 -1.200 -0.923
316 HG2 ARG 40 HG2 ARG 40 9.340 0.781 0.264
317 HG3 ARG 40 HG3 ARG 40 8.081 -0.186 1.041
318 HD2 ARG 40 HD2 ARG 40 9.785 -1.501 2.216
319 HD3 ARG 40 HD3 ARG 40 11.073 -0.617 1.390
320 HE ARG 40 HE ARG 40 9.502 1.261 2.722
321 HH11 ARG 40 HH11 ARG 40 11.613 -1.405 3.633
322 HH12 ARG 40 HH12 ARG 40 12.040 -0.708 5.159
323 HH21 ARG 40 HH21 ARG 40 10.066 2.142 4.748
324 HH22 ARG 40 HH22 ARG 40 11.166 1.299 5.788
325 H ASN 41 H ASN 41 7.174 -3.334 -1.674
326 HA ASN 41 HA ASN 41 8.908 -4.617 -3.523
327 HB2 ASN 41 HB2 ASN 41 6.247 -5.472 -2.329
328 HB3 ASN 41 HB3 ASN 41 7.116 -6.488 -3.467
329 HD21 ASN 41 HD21 ASN 41 8.724 -4.533 -0.974
330 HD22 ASN 41 HD22 ASN 41 9.259 -5.886 -0.051
331 H CYS 42 H CYS 42 5.979 -2.805 -3.982
332 HA CYS 42 HA CYS 42 5.011 -3.726 -6.429
333 HB2 CYS 42 HB2 CYS 42 3.729 -2.084 -5.205
334 HB3 CYS 42 HB3 CYS 42 5.057 -0.927 -5.242
335 H GLU 43 H GLU 43 7.581 -1.321 -5.795
336 HA GLU 43 HA GLU 43 8.745 -1.717 -8.423
337 HB2 GLU 43 HB2 GLU 43 6.974 -0.028 -8.890
338 HB3 GLU 43 HB3 GLU 43 7.640 1.016 -7.636
339 HG2 GLU 43 HG2 GLU 43 9.789 1.123 -8.958
340 HG3 GLU 43 HG3 GLU 43 8.981 0.210 -10.230
341 H SER 44 H SER 44 8.724 0.218 -5.426
342 HA SER 44 HA SER 44 11.361 1.269 -5.688
343 HB2 SER 44 HB2 SER 44 9.525 2.361 -4.389
344 HB3 SER 44 HB3 SER 44 9.573 1.039 -3.224
345 HG SER 44 HG SER 44 11.418 3.111 -3.655
Start of MODEL 19
1 H1 ALA 1 H1 ALA 1 -2.421 5.643 12.841
2 H2 ALA 1 H2 ALA 1 -2.754 4.503 14.045
3 H3 ALA 1 H3 ALA 1 -3.649 5.934 13.971
4 HA ALA 1 HA ALA 1 -4.910 4.062 13.131
5 HB1 ALA 1 HB1 ALA 1 -4.134 6.118 11.030
6 HB2 ALA 1 HB2 ALA 1 -5.359 6.323 12.281
7 HB3 ALA 1 HB3 ALA 1 -5.599 5.133 11.001
8 HA PRO 2 HA PRO 2 -3.044 0.583 11.088
9 HB2 PRO 2 HB2 PRO 2 -5.164 0.815 8.944
10 HB3 PRO 2 HB3 PRO 2 -4.672 -0.604 9.899
11 HG2 PRO 2 HG2 PRO 2 -6.917 0.710 10.480
12 HG3 PRO 2 HG3 PRO 2 -5.885 0.049 11.766
13 HD2 PRO 2 HD2 PRO 2 -6.251 2.894 10.926
14 HD3 PRO 2 HD3 PRO 2 -5.871 2.228 12.528
15 H CYS 3 H CYS 3 -4.281 2.540 8.368
16 HA CYS 3 HA CYS 3 -1.630 2.633 7.085
17 HB2 CYS 3 HB2 CYS 3 -4.107 1.308 5.943
18 HB3 CYS 3 HB3 CYS 3 -2.852 1.950 4.887
19 H GLU 4 H GLU 4 -3.394 4.605 8.380
20 HA GLU 4 HA GLU 4 -4.570 6.359 6.523
21 HB2 GLU 4 HB2 GLU 4 -4.787 6.473 9.011
22 HB3 GLU 4 HB3 GLU 4 -3.123 7.014 9.129
23 HG2 GLU 4 HG2 GLU 4 -5.278 8.582 7.673
24 HG3 GLU 4 HG3 GLU 4 -4.953 8.778 9.389
25 H ASP 5 H ASP 5 -1.265 6.308 7.896
26 HA ASP 5 HA ASP 5 -0.112 8.369 6.349
27 HB2 ASP 5 HB2 ASP 5 1.293 5.952 7.569
28 HB3 ASP 5 HB3 ASP 5 2.071 7.449 7.064
29 H LEU 6 H LEU 6 -0.134 4.864 5.977
30 HA LEU 6 HA LEU 6 1.525 4.505 3.791
31 HB2 LEU 6 HB2 LEU 6 0.766 2.693 5.237
32 HB3 LEU 6 HB3 LEU 6 -0.883 2.910 4.708
33 HG LEU 6 HG LEU 6 1.136 2.122 2.600
34 HD11 LEU 6 HD11 LEU 6 1.701 0.635 4.469
35 HD12 LEU 6 HD12 LEU 6 0.958 -0.245 3.134
36 HD13 LEU 6 HD13 LEU 6 0.010 0.127 4.576
37 HD21 LEU 6 HD21 LEU 6 -0.759 0.807 1.688
38 HD22 LEU 6 HD22 LEU 6 -1.215 2.493 1.919
39 HD23 LEU 6 HD23 LEU 6 -1.756 1.273 3.072
40 H LYS 7 H LYS 7 -1.959 5.194 3.869
41 HA LYS 7 HA LYS 7 -2.459 4.711 1.111
42 HB2 LYS 7 HB2 LYS 7 -4.177 4.566 2.883
43 HB3 LYS 7 HB3 LYS 7 -4.105 6.312 3.099
44 HG2 LYS 7 HG2 LYS 7 -5.015 6.691 0.882
45 HG3 LYS 7 HG3 LYS 7 -4.878 4.976 0.480
46 HD2 LYS 7 HD2 LYS 7 -6.694 6.145 2.622
47 HD3 LYS 7 HD3 LYS 7 -7.210 5.637 1.013
48 HE2 LYS 7 HE2 LYS 7 -6.584 3.309 1.530
49 HE3 LYS 7 HE3 LYS 7 -5.999 3.803 3.122
50 HZ1 LYS 7 HZ1 LYS 7 -8.217 4.479 3.702
51 HZ2 LYS 7 HZ2 LYS 7 -8.211 2.860 3.224
52 HZ3 LYS 7 HZ3 LYS 7 -8.800 4.051 2.176
53 H GLU 8 H GLU 8 -1.707 7.617 2.967
54 HA GLU 8 HA GLU 8 -2.085 9.496 0.878
55 HB2 GLU 8 HB2 GLU 8 -0.226 9.761 3.274
56 HB3 GLU 8 HB3 GLU 8 -0.862 11.077 2.284
57 HG2 GLU 8 HG2 GLU 8 -2.393 9.278 4.168
58 HG3 GLU 8 HG3 GLU 8 -2.099 11.006 4.342
59 H ARG 9 H ARG 9 0.652 7.545 1.935
60 HA ARG 9 HA ARG 9 2.656 8.614 0.244
61 HB2 ARG 9 HB2 ARG 9 2.366 5.876 1.521
62 HB3 ARG 9 HB3 ARG 9 3.819 6.417 0.681
63 HG2 ARG 9 HG2 ARG 9 4.197 8.163 2.307
64 HG3 ARG 9 HG3 ARG 9 2.647 7.843 3.093
65 HD2 ARG 9 HD2 ARG 9 4.589 6.896 4.328
66 HD3 ARG 9 HD3 ARG 9 3.412 5.676 3.829
67 HE ARG 9 HE ARG 9 5.398 5.895 1.851
68 HH11 ARG 9 HH11 ARG 9 5.039 4.644 5.116
69 HH12 ARG 9 HH12 ARG 9 6.290 3.470 4.902
70 HH21 ARG 9 HH21 ARG 9 6.998 4.359 1.619
71 HH22 ARG 9 HH22 ARG 9 7.390 3.306 2.934
72 H LEU 10 H LEU 10 0.232 6.040 -0.182
73 HA LEU 10 HA LEU 10 1.062 4.928 -2.613
74 HB2 LEU 10 HB2 LEU 10 -1.842 5.369 -1.791
75 HB3 LEU 10 HB3 LEU 10 -1.262 4.208 -2.973
76 HG LEU 10 HG LEU 10 -0.989 4.108 0.038
77 HD11 LEU 10 HD11 LEU 10 -2.128 1.971 -0.139
78 HD12 LEU 10 HD12 LEU 10 -2.230 2.147 -1.893
79 HD13 LEU 10 HD13 LEU 10 -3.088 3.274 -0.838
80 HD21 LEU 10 HD21 LEU 10 0.472 2.345 -1.941
81 HD22 LEU 10 HD22 LEU 10 0.353 2.054 -0.203
82 HD23 LEU 10 HD23 LEU 10 1.188 3.484 -0.797
83 H LYS 11 H LYS 11 -1.065 7.688 -1.933
84 HA LYS 11 HA LYS 11 -1.533 8.310 -4.722
85 HB2 LYS 11 HB2 LYS 11 -2.249 9.775 -2.157
86 HB3 LYS 11 HB3 LYS 11 -2.832 10.219 -3.761
87 HG2 LYS 11 HG2 LYS 11 -4.056 8.125 -3.967
88 HG3 LYS 11 HG3 LYS 11 -3.360 7.514 -2.464
89 HD2 LYS 11 HD2 LYS 11 -5.214 9.924 -2.684
90 HD3 LYS 11 HD3 LYS 11 -5.719 8.301 -2.200
91 HE2 LYS 11 HE2 LYS 11 -4.234 8.421 -0.232
92 HE3 LYS 11 HE3 LYS 11 -3.701 10.030 -0.723
93 HZ1 LYS 11 HZ1 LYS 11 -5.949 10.822 -0.447
94 HZ2 LYS 11 HZ2 LYS 11 -5.373 10.133 0.986
95 HZ3 LYS 11 HZ3 LYS 11 -6.463 9.282 0.018
96 H LYS 12 H LYS 12 0.737 9.312 -2.264
97 HA LYS 12 HA LYS 12 1.484 11.851 -3.277
98 HB2 LYS 12 HB2 LYS 12 1.969 11.315 -0.987
99 HB3 LYS 12 HB3 LYS 12 2.823 9.851 -1.436
100 HG2 LYS 12 HG2 LYS 12 3.987 12.454 -2.367
101 HG3 LYS 12 HG3 LYS 12 4.093 12.087 -0.647
102 HD2 LYS 12 HD2 LYS 12 5.335 10.021 -1.121
103 HD3 LYS 12 HD3 LYS 12 5.114 10.252 -2.856
104 HE2 LYS 12 HE2 LYS 12 6.725 12.050 -1.014
105 HE3 LYS 12 HE3 LYS 12 7.381 10.898 -2.175
106 HZ1 LYS 12 HZ1 LYS 12 7.432 13.118 -3.072
107 HZ2 LYS 12 HZ2 LYS 12 5.772 13.310 -2.825
108 HZ3 LYS 12 HZ3 LYS 12 6.331 12.185 -3.958
109 H LEU 13 H LEU 13 2.826 8.602 -3.774
110 HA LEU 13 HA LEU 13 4.667 9.617 -5.839
111 HB2 LEU 13 HB2 LEU 13 5.830 7.470 -5.651
112 HB3 LEU 13 HB3 LEU 13 5.721 8.297 -4.111
113 HG LEU 13 HG LEU 13 3.598 6.672 -3.780
114 HD11 LEU 13 HD11 LEU 13 3.983 4.438 -4.720
115 HD12 LEU 13 HD12 LEU 13 5.296 5.083 -5.707
116 HD13 LEU 13 HD13 LEU 13 3.643 5.643 -5.957
117 HD21 LEU 13 HD21 LEU 13 6.448 5.725 -3.379
118 HD22 LEU 13 HD22 LEU 13 5.011 5.094 -2.565
119 HD23 LEU 13 HD23 LEU 13 5.523 6.756 -2.281
120 H GLY 14 H GLY 14 1.665 8.055 -5.483
121 HA2 GLY 14 HA2 GLY 14 0.112 8.107 -7.258
122 HA3 GLY 14 HA3 GLY 14 1.416 7.873 -8.417
123 H MET 15 H MET 15 2.711 5.783 -7.782
124 HA MET 15 HA MET 15 2.960 3.693 -7.971
125 HB2 MET 15 HB2 MET 15 1.938 3.959 -5.543
126 HB3 MET 15 HB3 MET 15 0.585 3.064 -6.232
127 HG2 MET 15 HG2 MET 15 2.097 1.285 -6.887
128 HG3 MET 15 HG3 MET 15 3.466 2.166 -6.252
129 HE1 MET 15 HE1 MET 15 3.019 1.962 -2.442
130 HE2 MET 15 HE2 MET 15 2.595 3.315 -3.490
131 HE3 MET 15 HE3 MET 15 4.080 2.403 -3.780
132 H SER 16 H SER 16 2.196 1.676 -8.899
133 HA SER 16 HA SER 16 0.458 1.967 -11.100
134 HB2 SER 16 HB2 SER 16 1.305 -0.601 -9.679
135 HB3 SER 16 HB3 SER 16 0.649 -0.494 -11.316
136 HG SER 16 HG SER 16 2.547 1.014 -11.627
137 H GLU 17 H GLU 17 -1.725 1.588 -11.309
138 HA GLU 17 HA GLU 17 -3.409 1.948 -9.101
139 HB2 GLU 17 HB2 GLU 17 -3.972 0.911 -11.906
140 HB3 GLU 17 HB3 GLU 17 -5.253 1.215 -10.733
141 HG2 GLU 17 HG2 GLU 17 -4.746 3.557 -10.653
142 HG3 GLU 17 HG3 GLU 17 -3.284 3.349 -11.615
143 H GLU 18 H GLU 18 -2.101 -1.008 -10.460
144 HA GLU 18 HA GLU 18 -3.904 -2.763 -9.063
145 HB2 GLU 18 HB2 GLU 18 -2.787 -3.453 -11.176
146 HB3 GLU 18 HB3 GLU 18 -1.219 -3.299 -10.392
147 HG2 GLU 18 HG2 GLU 18 -1.819 -5.133 -8.833
148 HG3 GLU 18 HG3 GLU 18 -3.383 -5.288 -9.631
149 H CYS 19 H CYS 19 -0.657 -1.370 -8.538
150 HA CYS 19 HA CYS 19 0.125 -3.021 -6.385
151 HB2 CYS 19 HB2 CYS 19 1.045 -0.239 -7.274
152 HB3 CYS 19 HB3 CYS 19 1.716 -1.071 -5.871
153 H ARG 20 H ARG 20 -1.258 0.313 -6.367
154 HA ARG 20 HA ARG 20 -1.295 0.465 -3.529
155 HB2 ARG 20 HB2 ARG 20 -2.903 2.486 -3.965
156 HB3 ARG 20 HB3 ARG 20 -1.219 2.590 -4.428
157 HG2 ARG 20 HG2 ARG 20 -2.545 3.613 -6.122
158 HG3 ARG 20 HG3 ARG 20 -1.865 2.127 -6.774
159 HD2 ARG 20 HD2 ARG 20 -4.263 2.572 -7.402
160 HD3 ARG 20 HD3 ARG 20 -3.975 1.010 -6.650
161 HE ARG 20 HE ARG 20 -5.317 1.589 -4.927
162 HH11 ARG 20 HH11 ARG 20 -4.610 4.516 -6.758
163 HH12 ARG 20 HH12 ARG 20 -5.741 5.482 -5.880
164 HH21 ARG 20 HH21 ARG 20 -6.734 2.955 -3.716
165 HH22 ARG 20 HH22 ARG 20 -6.929 4.611 -4.177
166 H GLN 21 H GLN 21 -3.721 -0.702 -5.843
167 HA GLN 21 HA GLN 21 -5.862 -0.964 -3.975
168 HB2 GLN 21 HB2 GLN 21 -5.318 -2.179 -6.701
169 HB3 GLN 21 HB3 GLN 21 -6.684 -2.750 -5.743
170 HG2 GLN 21 HG2 GLN 21 -7.588 -0.454 -5.669
171 HG3 GLN 21 HG3 GLN 21 -6.237 0.117 -6.643
172 HE21 GLN 21 HE21 GLN 21 -6.233 -0.337 -8.871
173 HE22 GLN 21 HE22 GLN 21 -7.606 -0.945 -9.700
174 H ARG 22 H ARG 22 -3.141 -3.073 -4.849
175 HA ARG 22 HA ARG 22 -3.828 -5.362 -3.341
176 HB2 ARG 22 HB2 ARG 22 -1.099 -4.181 -3.995
177 HB3 ARG 22 HB3 ARG 22 -1.306 -5.729 -3.204
178 HG2 ARG 22 HG2 ARG 22 -2.314 -6.686 -5.163
179 HG3 ARG 22 HG3 ARG 22 -2.386 -5.112 -5.961
180 HD2 ARG 22 HD2 ARG 22 0.073 -5.006 -6.008
181 HD3 ARG 22 HD3 ARG 22 0.168 -6.541 -5.141
182 HE ARG 22 HE ARG 22 -1.241 -6.586 -7.683
183 HH11 ARG 22 HH11 ARG 22 1.807 -7.179 -6.016
184 HH12 ARG 22 HH12 ARG 22 2.422 -8.203 -7.274
185 HH21 ARG 22 HH21 ARG 22 -0.376 -7.888 -9.335
186 HH22 ARG 22 HH22 ARG 22 1.192 -8.599 -9.143
187 H LEU 23 H LEU 23 -2.150 -2.342 -2.503
188 HA LEU 23 HA LEU 23 -1.180 -3.239 0.027
189 HB2 LEU 23 HB2 LEU 23 -1.399 -0.418 -1.059
190 HB3 LEU 23 HB3 LEU 23 -0.374 -0.942 0.264
191 HG LEU 23 HG LEU 23 -0.112 -1.739 -2.643
192 HD11 LEU 23 HD11 LEU 23 0.694 0.467 -2.287
193 HD12 LEU 23 HD12 LEU 23 2.032 -0.630 -2.611
194 HD13 LEU 23 HD13 LEU 23 1.726 -0.079 -0.959
195 HD21 LEU 23 HD21 LEU 23 1.884 -3.006 -2.049
196 HD22 LEU 23 HD22 LEU 23 0.444 -3.662 -1.285
197 HD23 LEU 23 HD23 LEU 23 1.577 -2.701 -0.335
198 H GLU 24 H GLU 24 -3.782 -0.975 -0.893
199 HA GLU 24 HA GLU 24 -4.935 -0.545 1.610
200 HB2 GLU 24 HB2 GLU 24 -6.308 -0.860 -1.094
201 HB3 GLU 24 HB3 GLU 24 -7.083 -0.198 0.344
202 HG2 GLU 24 HG2 GLU 24 -5.656 1.745 0.321
203 HG3 GLU 24 HG3 GLU 24 -4.612 1.032 -0.909
204 H LYS 25 H LYS 25 -5.186 -3.316 -0.612
205 HA LYS 25 HA LYS 25 -7.332 -4.654 0.741
206 HB2 LYS 25 HB2 LYS 25 -7.033 -5.227 -1.557
207 HB3 LYS 25 HB3 LYS 25 -5.320 -5.544 -1.338
208 HG2 LYS 25 HG2 LYS 25 -5.798 -7.602 -0.110
209 HG3 LYS 25 HG3 LYS 25 -7.530 -7.269 -0.168
210 HD2 LYS 25 HD2 LYS 25 -5.762 -7.774 -2.590
211 HD3 LYS 25 HD3 LYS 25 -6.799 -8.979 -1.822
212 HE2 LYS 25 HE2 LYS 25 -7.721 -6.428 -3.203
213 HE3 LYS 25 HE3 LYS 25 -7.911 -8.079 -3.798
214 HZ1 LYS 25 HZ1 LYS 25 -9.949 -7.327 -2.815
215 HZ2 LYS 25 HZ2 LYS 25 -9.172 -6.932 -1.367
216 HZ3 LYS 25 HZ3 LYS 25 -9.297 -8.548 -1.843
217 H MET 26 H MET 26 -3.815 -4.671 1.055
218 HA MET 26 HA MET 26 -3.744 -6.936 2.846
219 HB2 MET 26 HB2 MET 26 -1.572 -4.837 2.492
220 HB3 MET 26 HB3 MET 26 -1.384 -6.452 3.158
221 HG2 MET 26 HG2 MET 26 -1.865 -5.670 0.280
222 HG3 MET 26 HG3 MET 26 -0.451 -6.455 0.953
223 HE1 MET 26 HE1 MET 26 -1.788 -10.096 1.597
224 HE2 MET 26 HE2 MET 26 -1.715 -8.790 2.782
225 HE3 MET 26 HE3 MET 26 -0.382 -9.035 1.650
226 H CYS 27 H CYS 27 -4.039 -3.453 3.085
227 HA CYS 27 HA CYS 27 -3.649 -3.180 5.897
228 HB2 CYS 27 HB2 CYS 27 -4.937 -1.378 3.831
229 HB3 CYS 27 HB3 CYS 27 -4.711 -0.914 5.511
230 H LYS 28 H LYS 28 -6.496 -3.794 3.885
231 HA LYS 28 HA LYS 28 -8.361 -3.297 6.115
232 HB2 LYS 28 HB2 LYS 28 -8.874 -3.879 3.175
233 HB3 LYS 28 HB3 LYS 28 -10.128 -3.520 4.362
234 HG2 LYS 28 HG2 LYS 28 -9.266 -1.252 4.643
235 HG3 LYS 28 HG3 LYS 28 -7.912 -1.594 3.560
236 HD2 LYS 28 HD2 LYS 28 -10.864 -1.586 2.791
237 HD3 LYS 28 HD3 LYS 28 -9.696 -0.321 2.398
238 HE2 LYS 28 HE2 LYS 28 -8.454 -1.847 0.954
239 HE3 LYS 28 HE3 LYS 28 -9.455 -3.208 1.453
240 HZ1 LYS 28 HZ1 LYS 28 -11.326 -2.247 0.379
241 HZ2 LYS 28 HZ2 LYS 28 -10.046 -2.294 -0.725
242 HZ3 LYS 28 HZ3 LYS 28 -10.476 -0.836 0.009
243 H GLU 29 H GLU 29 -7.249 -5.853 3.982
244 HA GLU 29 HA GLU 29 -9.099 -7.852 5.175
245 HB2 GLU 29 HB2 GLU 29 -7.853 -7.771 2.385
246 HB3 GLU 29 HB3 GLU 29 -8.977 -8.997 2.968
247 HG2 GLU 29 HG2 GLU 29 -10.806 -7.509 2.963
248 HG3 GLU 29 HG3 GLU 29 -9.770 -6.083 2.937
249 H GLY 30 H GLY 30 -6.154 -6.919 5.757
250 HA2 GLY 30 HA2 GLY 30 -5.148 -9.591 6.406
251 HA3 GLY 30 HA3 GLY 30 -4.160 -8.656 5.288
252 H THR 31 H THR 31 -2.545 -7.594 6.264
253 HA THR 31 HA THR 31 -2.946 -6.259 8.863
254 HB THR 31 HB THR 31 -0.581 -6.859 9.509
255 HG1 THR 31 HG1 THR 31 0.400 -8.630 8.353
256 HG21 THR 31 HG21 THR 31 -1.042 -9.183 10.229
257 HG22 THR 31 HG22 THR 31 -2.402 -9.266 9.107
258 HG23 THR 31 HG23 THR 31 -2.453 -8.153 10.476
259 H SER 32 H SER 32 -2.179 -4.263 8.920
260 HA SER 32 HA SER 32 -1.477 -2.788 6.632
261 HB2 SER 32 HB2 SER 32 -1.103 -0.932 8.314
262 HB3 SER 32 HB3 SER 32 -2.649 -1.760 8.503
263 HG SER 32 HG SER 32 -0.451 -1.688 10.189
264 H GLU 33 H GLU 33 0.454 -4.424 9.032
265 HA GLU 33 HA GLU 33 2.953 -3.117 8.655
266 HB2 GLU 33 HB2 GLU 33 2.373 -5.923 9.705
267 HB3 GLU 33 HB3 GLU 33 3.895 -5.051 9.892
268 HG2 GLU 33 HG2 GLU 33 2.722 -3.328 11.244
269 HG3 GLU 33 HG3 GLU 33 1.221 -4.253 11.103
270 H ASP 34 H ASP 34 1.424 -5.954 7.152
271 HA ASP 34 HA ASP 34 3.745 -6.626 5.540
272 HB2 ASP 34 HB2 ASP 34 2.218 -8.408 6.302
273 HB3 ASP 34 HB3 ASP 34 0.885 -7.647 5.432
274 H ALA 35 H ALA 35 0.910 -4.616 5.253
275 HA ALA 35 HA ALA 35 0.647 -4.375 2.459
276 HB1 ALA 35 HB1 ALA 35 -0.573 -2.289 2.936
277 HB2 ALA 35 HB2 ALA 35 0.043 -2.299 4.594
278 HB3 ALA 35 HB3 ALA 35 -1.047 -3.575 4.050
279 H GLU 36 H GLU 36 2.520 -2.372 4.763
280 HA GLU 36 HA GLU 36 3.734 -0.687 2.804
281 HB2 GLU 36 HB2 GLU 36 5.245 0.020 4.645
282 HB3 GLU 36 HB3 GLU 36 3.549 0.045 5.123
283 HG2 GLU 36 HG2 GLU 36 3.842 -2.103 6.294
284 HG3 GLU 36 HG3 GLU 36 5.536 -2.139 5.815
285 H ARG 37 H ARG 37 4.580 -3.796 4.197
286 HA ARG 37 HA ARG 37 7.209 -4.115 3.223
287 HB2 ARG 37 HB2 ARG 37 6.321 -5.547 4.964
288 HB3 ARG 37 HB3 ARG 37 5.021 -6.104 3.925
289 HG2 ARG 37 HG2 ARG 37 6.643 -7.332 2.524
290 HG3 ARG 37 HG3 ARG 37 7.965 -6.739 3.538
291 HD2 ARG 37 HD2 ARG 37 7.008 -7.908 5.493
292 HD3 ARG 37 HD3 ARG 37 5.668 -8.488 4.504
293 HE ARG 37 HE ARG 37 7.148 -9.933 3.365
294 HH11 ARG 37 HH11 ARG 37 8.746 -8.309 6.054
295 HH12 ARG 37 HH12 ARG 37 10.048 -9.453 6.115
296 HH21 ARG 37 HH21 ARG 37 8.880 -11.391 3.453
297 HH22 ARG 37 HH22 ARG 37 10.122 -11.189 4.650
298 H MET 38 H MET 38 4.031 -4.763 1.745
299 HA MET 38 HA MET 38 5.092 -5.859 -0.705
300 HB2 MET 38 HB2 MET 38 2.293 -4.842 -0.059
301 HB3 MET 38 HB3 MET 38 2.732 -5.727 -1.510
302 HG2 MET 38 HG2 MET 38 2.971 -6.887 1.277
303 HG3 MET 38 HG3 MET 38 1.535 -7.049 0.276
304 HE1 MET 38 HE1 MET 38 4.945 -8.494 1.212
305 HE2 MET 38 HE2 MET 38 5.545 -7.608 -0.193
306 HE3 MET 38 HE3 MET 38 5.472 -9.368 -0.223
307 H ALA 39 H ALA 39 4.326 -2.671 0.500
308 HA ALA 39 HA ALA 39 4.049 -1.216 -1.919
309 HB1 ALA 39 HB1 ALA 39 3.328 -0.335 0.272
310 HB2 ALA 39 HB2 ALA 39 4.425 0.789 -0.531
311 HB3 ALA 39 HB3 ALA 39 5.010 -0.223 0.796
312 H ARG 40 H ARG 40 6.839 -1.873 0.175
313 HA ARG 40 HA ARG 40 8.774 -0.602 -1.568
314 HB2 ARG 40 HB2 ARG 40 10.450 -1.460 0.058
315 HB3 ARG 40 HB3 ARG 40 9.154 -0.552 0.832
316 HG2 ARG 40 HG2 ARG 40 8.070 -2.681 1.494
317 HG3 ARG 40 HG3 ARG 40 9.395 -3.582 0.751
318 HD2 ARG 40 HD2 ARG 40 10.979 -2.616 2.326
319 HD3 ARG 40 HD3 ARG 40 9.717 -1.594 3.017
320 HE ARG 40 HE ARG 40 8.750 -3.469 4.040
321 HH11 ARG 40 HH11 ARG 40 11.705 -4.354 2.332
322 HH12 ARG 40 HH12 ARG 40 11.877 -5.858 3.178
323 HH21 ARG 40 HH21 ARG 40 9.024 -5.419 5.178
324 HH22 ARG 40 HH22 ARG 40 10.358 -6.464 4.792
325 H ASN 41 H ASN 41 7.091 -3.292 -2.094
326 HA ASN 41 HA ASN 41 9.279 -4.653 -3.553
327 HB2 ASN 41 HB2 ASN 41 6.715 -5.729 -2.333
328 HB3 ASN 41 HB3 ASN 41 7.592 -6.628 -3.569
329 HD21 ASN 41 HD21 ASN 41 7.115 -6.900 -0.529
330 HD22 ASN 41 HD22 ASN 41 8.668 -7.349 0.062
331 H CYS 42 H CYS 42 6.470 -2.718 -3.902
332 HA CYS 42 HA CYS 42 6.252 -3.345 -6.778
333 HB2 CYS 42 HB2 CYS 42 4.096 -2.920 -5.709
334 HB3 CYS 42 HB3 CYS 42 4.673 -1.377 -5.076
335 H GLU 43 H GLU 43 6.564 -0.328 -4.858
336 HA GLU 43 HA GLU 43 7.627 1.632 -5.190
337 HB2 GLU 43 HB2 GLU 43 9.846 -0.148 -6.253
338 HB3 GLU 43 HB3 GLU 43 10.042 1.501 -5.662
339 HG2 GLU 43 HG2 GLU 43 9.369 0.767 -3.396
340 HG3 GLU 43 HG3 GLU 43 9.160 -0.878 -3.994
341 H SER 44 H SER 44 5.949 1.978 -6.977
342 HA SER 44 HA SER 44 6.925 2.009 -9.709
343 HB2 SER 44 HB2 SER 44 4.415 3.333 -8.593
344 HB3 SER 44 HB3 SER 44 4.746 2.913 -10.274
345 HG SER 44 HG SER 44 4.597 0.748 -9.739
Start of MODEL 20
1 H1 ALA 1 H1 ALA 1 -4.206 7.089 12.658
2 H2 ALA 1 H2 ALA 1 -3.475 8.549 12.206
3 H3 ALA 1 H3 ALA 1 -2.934 7.089 11.540
4 HA ALA 1 HA ALA 1 -5.617 8.273 11.149
5 HB1 ALA 1 HB1 ALA 1 -3.292 8.097 9.198
6 HB2 ALA 1 HB2 ALA 1 -3.845 9.561 10.006
7 HB3 ALA 1 HB3 ALA 1 -4.896 8.752 8.848
8 HA PRO 2 HA PRO 2 -6.274 3.800 10.730
9 HB2 PRO 2 HB2 PRO 2 -8.998 3.858 10.229
10 HB3 PRO 2 HB3 PRO 2 -8.300 4.071 11.846
11 HG2 PRO 2 HG2 PRO 2 -9.285 6.163 9.939
12 HG3 PRO 2 HG3 PRO 2 -9.488 6.071 11.702
13 HD2 PRO 2 HD2 PRO 2 -7.638 7.680 10.536
14 HD3 PRO 2 HD3 PRO 2 -7.373 6.942 12.127
15 H CYS 3 H CYS 3 -5.003 3.669 8.888
16 HA CYS 3 HA CYS 3 -4.514 2.769 6.923
17 HB2 CYS 3 HB2 CYS 3 -6.908 1.775 6.962
18 HB3 CYS 3 HB3 CYS 3 -7.302 3.060 5.825
19 H GLU 4 H GLU 4 -6.103 5.811 7.235
20 HA GLU 4 HA GLU 4 -5.961 6.913 4.683
21 HB2 GLU 4 HB2 GLU 4 -7.202 7.978 6.472
22 HB3 GLU 4 HB3 GLU 4 -5.741 8.210 7.427
23 HG2 GLU 4 HG2 GLU 4 -4.893 9.782 5.663
24 HG3 GLU 4 HG3 GLU 4 -6.424 9.598 4.806
25 H ASP 5 H ASP 5 -3.559 6.981 7.323
26 HA ASP 5 HA ASP 5 -1.582 8.573 6.156
27 HB2 ASP 5 HB2 ASP 5 -1.596 7.935 8.554
28 HB3 ASP 5 HB3 ASP 5 -1.237 6.265 8.133
29 H LEU 6 H LEU 6 -2.258 5.142 5.827
30 HA LEU 6 HA LEU 6 0.155 4.428 4.458
31 HB2 LEU 6 HB2 LEU 6 -1.479 2.992 5.900
32 HB3 LEU 6 HB3 LEU 6 -2.438 2.850 4.445
33 HG LEU 6 HG LEU 6 0.479 2.030 4.377
34 HD11 LEU 6 HD11 LEU 6 -1.743 0.253 5.420
35 HD12 LEU 6 HD12 LEU 6 -0.412 0.920 6.366
36 HD13 LEU 6 HD13 LEU 6 -0.078 -0.242 5.086
37 HD21 LEU 6 HD21 LEU 6 -1.958 0.977 2.899
38 HD22 LEU 6 HD22 LEU 6 -0.294 0.429 2.673
39 HD23 LEU 6 HD23 LEU 6 -0.744 2.079 2.247
40 H LYS 7 H LYS 7 -3.239 4.942 3.485
41 HA LYS 7 HA LYS 7 -3.116 4.458 0.744
42 HB2 LYS 7 HB2 LYS 7 -4.910 6.270 2.394
43 HB3 LYS 7 HB3 LYS 7 -5.187 5.986 0.676
44 HG2 LYS 7 HG2 LYS 7 -5.630 3.649 1.051
45 HG3 LYS 7 HG3 LYS 7 -5.108 3.759 2.735
46 HD2 LYS 7 HD2 LYS 7 -7.625 3.693 2.364
47 HD3 LYS 7 HD3 LYS 7 -7.029 5.025 3.357
48 HE2 LYS 7 HE2 LYS 7 -8.796 5.714 1.734
49 HE3 LYS 7 HE3 LYS 7 -7.281 6.586 1.502
50 HZ1 LYS 7 HZ1 LYS 7 -8.336 5.822 -0.579
51 HZ2 LYS 7 HZ2 LYS 7 -8.113 4.217 -0.086
52 HZ3 LYS 7 HZ3 LYS 7 -6.776 5.206 -0.372
53 H GLU 8 H GLU 8 -2.885 7.592 2.441
54 HA GLU 8 HA GLU 8 -2.763 9.273 0.204
55 HB2 GLU 8 HB2 GLU 8 -1.967 11.032 1.745
56 HB3 GLU 8 HB3 GLU 8 -3.295 10.129 2.469
57 HG2 GLU 8 HG2 GLU 8 -1.730 8.859 3.849
58 HG3 GLU 8 HG3 GLU 8 -0.360 9.655 3.087
59 H ARG 9 H ARG 9 -0.235 7.600 2.037
60 HA ARG 9 HA ARG 9 1.991 8.806 0.755
61 HB2 ARG 9 HB2 ARG 9 1.672 6.316 2.437
62 HB3 ARG 9 HB3 ARG 9 3.205 6.665 1.641
63 HG2 ARG 9 HG2 ARG 9 3.318 8.839 2.821
64 HG3 ARG 9 HG3 ARG 9 1.807 8.456 3.653
65 HD2 ARG 9 HD2 ARG 9 4.414 6.910 3.863
66 HD3 ARG 9 HD3 ARG 9 3.751 7.992 5.095
67 HE ARG 9 HE ARG 9 1.752 6.322 4.924
68 HH11 ARG 9 HH11 ARG 9 5.145 5.456 4.872
69 HH12 ARG 9 HH12 ARG 9 4.878 3.893 5.570
70 HH21 ARG 9 HH21 ARG 9 1.406 4.304 5.847
71 HH22 ARG 9 HH22 ARG 9 2.744 3.236 6.129
72 H LEU 10 H LEU 10 0.140 5.780 0.135
73 HA LEU 10 HA LEU 10 1.777 4.627 -1.832
74 HB2 LEU 10 HB2 LEU 10 -1.265 4.562 -1.824
75 HB3 LEU 10 HB3 LEU 10 -0.207 3.417 -2.634
76 HG LEU 10 HG LEU 10 -0.624 3.730 0.349
77 HD11 LEU 10 HD11 LEU 10 -1.288 1.452 -1.506
78 HD12 LEU 10 HD12 LEU 10 -2.426 2.588 -0.775
79 HD13 LEU 10 HD13 LEU 10 -1.520 1.475 0.244
80 HD21 LEU 10 HD21 LEU 10 1.731 3.256 0.036
81 HD22 LEU 10 HD22 LEU 10 1.365 1.929 -1.068
82 HD23 LEU 10 HD23 LEU 10 0.923 1.808 0.637
83 H LYS 11 H LYS 11 -0.769 7.034 -2.110
84 HA LYS 11 HA LYS 11 -0.817 7.241 -4.948
85 HB2 LYS 11 HB2 LYS 11 -1.811 9.209 -2.853
86 HB3 LYS 11 HB3 LYS 11 -2.243 9.216 -4.563
87 HG2 LYS 11 HG2 LYS 11 -3.283 6.940 -4.237
88 HG3 LYS 11 HG3 LYS 11 -2.975 7.103 -2.506
89 HD2 LYS 11 HD2 LYS 11 -4.713 8.964 -4.181
90 HD3 LYS 11 HD3 LYS 11 -5.312 7.714 -3.091
91 HE2 LYS 11 HE2 LYS 11 -4.386 8.894 -1.159
92 HE3 LYS 11 HE3 LYS 11 -3.638 10.097 -2.214
93 HZ1 LYS 11 HZ1 LYS 11 -5.707 10.893 -1.232
94 HZ2 LYS 11 HZ2 LYS 11 -6.556 9.628 -1.961
95 HZ3 LYS 11 HZ3 LYS 11 -5.818 10.808 -2.918
96 H LYS 12 H LYS 12 0.691 9.159 -2.353
97 HA LYS 12 HA LYS 12 1.779 11.220 -4.008
98 HB2 LYS 12 HB2 LYS 12 1.324 11.447 -1.550
99 HB3 LYS 12 HB3 LYS 12 2.640 10.326 -1.224
100 HG2 LYS 12 HG2 LYS 12 4.182 11.994 -2.410
101 HG3 LYS 12 HG3 LYS 12 2.826 13.126 -2.373
102 HD2 LYS 12 HD2 LYS 12 2.781 12.952 0.112
103 HD3 LYS 12 HD3 LYS 12 4.158 11.847 0.041
104 HE2 LYS 12 HE2 LYS 12 4.142 14.760 -0.818
105 HE3 LYS 12 HE3 LYS 12 4.923 14.096 0.617
106 HZ1 LYS 12 HZ1 LYS 12 6.379 12.805 -0.843
107 HZ2 LYS 12 HZ2 LYS 12 6.517 14.464 -1.138
108 HZ3 LYS 12 HZ3 LYS 12 5.644 13.490 -2.204
109 H LEU 13 H LEU 13 2.858 8.086 -3.020
110 HA LEU 13 HA LEU 13 5.676 8.416 -3.393
111 HB2 LEU 13 HB2 LEU 13 4.358 6.838 -1.810
112 HB3 LEU 13 HB3 LEU 13 4.121 5.811 -3.207
113 HG LEU 13 HG LEU 13 6.552 5.432 -3.342
114 HD11 LEU 13 HD11 LEU 13 6.781 7.188 -0.885
115 HD12 LEU 13 HD12 LEU 13 7.389 7.565 -2.501
116 HD13 LEU 13 HD13 LEU 13 8.078 6.221 -1.594
117 HD21 LEU 13 HD21 LEU 13 5.412 4.932 -0.570
118 HD22 LEU 13 HD22 LEU 13 6.793 4.089 -1.283
119 HD23 LEU 13 HD23 LEU 13 5.190 3.906 -1.992
120 H GLY 14 H GLY 14 2.951 7.504 -5.374
121 HA2 GLY 14 HA2 GLY 14 2.739 7.502 -7.643
122 HA3 GLY 14 HA3 GLY 14 4.403 8.052 -7.756
123 H MET 15 H MET 15 2.835 5.058 -6.612
124 HA MET 15 HA MET 15 4.563 3.401 -8.343
125 HB2 MET 15 HB2 MET 15 3.696 1.504 -7.037
126 HB3 MET 15 HB3 MET 15 4.288 2.750 -5.951
127 HG2 MET 15 HG2 MET 15 1.907 3.487 -5.606
128 HG3 MET 15 HG3 MET 15 1.397 2.119 -6.583
129 HE1 MET 15 HE1 MET 15 4.371 2.230 -3.936
130 HE2 MET 15 HE2 MET 15 3.516 1.673 -2.500
131 HE3 MET 15 HE3 MET 15 3.116 3.238 -3.209
132 H SER 16 H SER 16 2.816 1.276 -8.902
133 HA SER 16 HA SER 16 0.936 2.394 -10.817
134 HB2 SER 16 HB2 SER 16 1.549 -0.494 -10.054
135 HB3 SER 16 HB3 SER 16 0.432 -0.015 -11.334
136 HG SER 16 HG SER 16 3.191 0.667 -11.231
137 H GLU 17 H GLU 17 -1.330 2.254 -10.663
138 HA GLU 17 HA GLU 17 -2.523 2.591 -8.148
139 HB2 GLU 17 HB2 GLU 17 -3.799 1.918 -10.825
140 HB3 GLU 17 HB3 GLU 17 -4.716 2.368 -9.386
141 HG2 GLU 17 HG2 GLU 17 -3.561 4.543 -9.333
142 HG3 GLU 17 HG3 GLU 17 -2.673 4.111 -10.792
143 H GLU 18 H GLU 18 -1.986 -0.275 -10.049
144 HA GLU 18 HA GLU 18 -3.941 -1.992 -8.906
145 HB2 GLU 18 HB2 GLU 18 -2.739 -3.807 -10.032
146 HB3 GLU 18 HB3 GLU 18 -2.913 -2.430 -11.108
147 HG2 GLU 18 HG2 GLU 18 -0.559 -1.780 -10.642
148 HG3 GLU 18 HG3 GLU 18 -0.386 -3.201 -9.615
149 H CYS 19 H CYS 19 -0.525 -1.250 -8.196
150 HA CYS 19 HA CYS 19 -0.057 -3.114 -6.134
151 HB2 CYS 19 HB2 CYS 19 1.071 -0.365 -6.773
152 HB3 CYS 19 HB3 CYS 19 1.582 -1.229 -5.344
153 H ARG 20 H ARG 20 -1.300 0.246 -6.100
154 HA ARG 20 HA ARG 20 -1.257 0.747 -3.344
155 HB2 ARG 20 HB2 ARG 20 -3.403 1.733 -5.278
156 HB3 ARG 20 HB3 ARG 20 -3.031 2.416 -3.695
157 HG2 ARG 20 HG2 ARG 20 -0.822 3.125 -4.552
158 HG3 ARG 20 HG3 ARG 20 -1.270 2.502 -6.153
159 HD2 ARG 20 HD2 ARG 20 -2.764 4.616 -4.575
160 HD3 ARG 20 HD3 ARG 20 -1.751 4.919 -5.997
161 HE ARG 20 HE ARG 20 -3.627 3.096 -6.828
162 HH11 ARG 20 HH11 ARG 20 -3.849 6.311 -5.451
163 HH12 ARG 20 HH12 ARG 20 -5.352 6.671 -6.226
164 HH21 ARG 20 HH21 ARG 20 -5.630 3.572 -7.813
165 HH22 ARG 20 HH22 ARG 20 -6.360 5.121 -7.562
166 H GLN 21 H GLN 21 -3.917 -0.472 -5.338
167 HA GLN 21 HA GLN 21 -5.843 -0.507 -3.302
168 HB2 GLN 21 HB2 GLN 21 -5.726 -1.922 -5.993
169 HB3 GLN 21 HB3 GLN 21 -7.169 -1.890 -4.978
170 HG2 GLN 21 HG2 GLN 21 -7.393 0.481 -5.195
171 HG3 GLN 21 HG3 GLN 21 -5.789 0.647 -5.903
172 HE21 GLN 21 HE21 GLN 21 -5.497 0.176 -8.074
173 HE22 GLN 21 HE22 GLN 21 -6.804 0.003 -9.170
174 H ARG 22 H ARG 22 -3.527 -2.917 -4.409
175 HA ARG 22 HA ARG 22 -4.441 -5.163 -2.894
176 HB2 ARG 22 HB2 ARG 22 -1.696 -4.460 -4.015
177 HB3 ARG 22 HB3 ARG 22 -2.097 -6.023 -3.336
178 HG2 ARG 22 HG2 ARG 22 -3.682 -6.469 -5.096
179 HG3 ARG 22 HG3 ARG 22 -3.536 -4.818 -5.705
180 HD2 ARG 22 HD2 ARG 22 -1.073 -5.338 -6.136
181 HD3 ARG 22 HD3 ARG 22 -1.471 -7.031 -5.819
182 HE ARG 22 HE ARG 22 -3.295 -6.351 -7.684
183 HH11 ARG 22 HH11 ARG 22 0.198 -5.911 -7.621
184 HH12 ARG 22 HH12 ARG 22 0.351 -5.991 -9.345
185 HH21 ARG 22 HH21 ARG 22 -3.067 -6.436 -9.941
186 HH22 ARG 22 HH22 ARG 22 -1.491 -6.287 -10.659
187 H LEU 23 H LEU 23 -2.284 -2.444 -2.281
188 HA LEU 23 HA LEU 23 -1.180 -3.400 0.193
189 HB2 LEU 23 HB2 LEU 23 -1.270 -0.580 -0.935
190 HB3 LEU 23 HB3 LEU 23 -0.197 -1.151 0.316
191 HG LEU 23 HG LEU 23 -0.169 -1.990 -2.583
192 HD11 LEU 23 HD11 LEU 23 1.891 -0.409 -1.056
193 HD12 LEU 23 HD12 LEU 23 0.763 0.217 -2.260
194 HD13 LEU 23 HD13 LEU 23 2.002 -0.936 -2.742
195 HD21 LEU 23 HD21 LEU 23 1.606 -2.993 -0.360
196 HD22 LEU 23 HD22 LEU 23 1.816 -3.326 -2.079
197 HD23 LEU 23 HD23 LEU 23 0.387 -3.912 -1.242
198 H GLU 24 H GLU 24 -3.730 -1.152 -0.707
199 HA GLU 24 HA GLU 24 -4.645 -0.388 1.838
200 HB2 GLU 24 HB2 GLU 24 -6.067 -0.500 -0.852
201 HB3 GLU 24 HB3 GLU 24 -6.738 0.272 0.587
202 HG2 GLU 24 HG2 GLU 24 -4.977 1.929 0.598
203 HG3 GLU 24 HG3 GLU 24 -4.114 1.095 -0.692
204 H LYS 25 H LYS 25 -5.210 -3.182 -0.209
205 HA LYS 25 HA LYS 25 -7.474 -4.235 1.214
206 HB2 LYS 25 HB2 LYS 25 -6.961 -4.818 -1.143
207 HB3 LYS 25 HB3 LYS 25 -5.493 -5.635 -0.622
208 HG2 LYS 25 HG2 LYS 25 -6.839 -7.294 0.620
209 HG3 LYS 25 HG3 LYS 25 -8.319 -6.450 0.156
210 HD2 LYS 25 HD2 LYS 25 -6.375 -7.851 -1.718
211 HD3 LYS 25 HD3 LYS 25 -7.990 -8.409 -1.278
212 HE2 LYS 25 HE2 LYS 25 -8.960 -6.400 -2.382
213 HE3 LYS 25 HE3 LYS 25 -7.337 -5.885 -2.842
214 HZ1 LYS 25 HZ1 LYS 25 -8.404 -6.979 -4.664
215 HZ2 LYS 25 HZ2 LYS 25 -8.709 -8.358 -3.736
216 HZ3 LYS 25 HZ3 LYS 25 -7.117 -7.933 -4.124
217 H MET 26 H MET 26 -3.960 -4.732 1.269
218 HA MET 26 HA MET 26 -3.862 -6.643 3.373
219 HB2 MET 26 HB2 MET 26 -1.836 -4.654 2.293
220 HB3 MET 26 HB3 MET 26 -1.448 -5.797 3.577
221 HG2 MET 26 HG2 MET 26 -2.378 -6.549 0.794
222 HG3 MET 26 HG3 MET 26 -0.711 -6.605 1.379
223 HE1 MET 26 HE1 MET 26 -2.007 -9.155 0.072
224 HE2 MET 26 HE2 MET 26 -1.579 -10.418 1.226
225 HE3 MET 26 HE3 MET 26 -0.400 -9.179 0.798
226 H CYS 27 H CYS 27 -4.017 -3.164 3.274
227 HA CYS 27 HA CYS 27 -3.350 -2.538 5.962
228 HB2 CYS 27 HB2 CYS 27 -3.219 -0.895 4.148
229 HB3 CYS 27 HB3 CYS 27 -4.952 -1.017 3.872
230 H LYS 28 H LYS 28 -6.282 -3.717 4.480
231 HA LYS 28 HA LYS 28 -7.977 -2.987 6.797
232 HB2 LYS 28 HB2 LYS 28 -8.748 -3.869 3.981
233 HB3 LYS 28 HB3 LYS 28 -9.891 -3.442 5.254
234 HG2 LYS 28 HG2 LYS 28 -9.179 -1.146 5.243
235 HG3 LYS 28 HG3 LYS 28 -7.808 -1.512 4.192
236 HD2 LYS 28 HD2 LYS 28 -9.420 -2.114 2.368
237 HD3 LYS 28 HD3 LYS 28 -10.755 -1.642 3.426
238 HE2 LYS 28 HE2 LYS 28 -9.876 0.657 3.502
239 HE3 LYS 28 HE3 LYS 28 -8.528 0.182 2.466
240 HZ1 LYS 28 HZ1 LYS 28 -10.361 1.289 1.285
241 HZ2 LYS 28 HZ2 LYS 28 -11.381 0.001 1.676
242 HZ3 LYS 28 HZ3 LYS 28 -10.032 -0.256 0.692
243 H GLU 29 H GLU 29 -7.076 -5.737 4.745
244 HA GLU 29 HA GLU 29 -8.790 -7.607 6.198
245 HB2 GLU 29 HB2 GLU 29 -7.024 -8.156 3.777
246 HB3 GLU 29 HB3 GLU 29 -8.326 -9.175 4.379
247 HG2 GLU 29 HG2 GLU 29 -8.650 -6.417 3.151
248 HG3 GLU 29 HG3 GLU 29 -8.949 -7.945 2.328
249 H GLY 30 H GLY 30 -5.413 -6.776 5.852
250 HA2 GLY 30 HA2 GLY 30 -4.594 -9.063 7.593
251 HA3 GLY 30 HA3 GLY 30 -3.598 -8.427 6.286
252 H THR 31 H THR 31 -1.884 -7.492 7.259
253 HA THR 31 HA THR 31 -2.375 -5.543 9.456
254 HB THR 31 HB THR 31 -0.092 -5.889 10.243
255 HG1 THR 31 HG1 THR 31 0.335 -7.958 8.360
256 HG21 THR 31 HG21 THR 31 -1.748 -7.485 11.121
257 HG22 THR 31 HG22 THR 31 -0.165 -8.258 10.966
258 HG23 THR 31 HG23 THR 31 -1.427 -8.574 9.773
259 H SER 32 H SER 32 -0.920 -3.693 9.456
260 HA SER 32 HA SER 32 -0.784 -2.289 7.031
261 HB2 SER 32 HB2 SER 32 0.781 -1.761 9.589
262 HB3 SER 32 HB3 SER 32 0.380 -0.577 8.340
263 HG SER 32 HG SER 32 -1.563 -0.393 9.154
264 H GLU 33 H GLU 33 1.520 -4.420 8.667
265 HA GLU 33 HA GLU 33 3.850 -3.680 7.256
266 HB2 GLU 33 HB2 GLU 33 3.168 -6.299 8.632
267 HB3 GLU 33 HB3 GLU 33 4.731 -5.971 7.888
268 HG2 GLU 33 HG2 GLU 33 4.671 -3.819 9.458
269 HG3 GLU 33 HG3 GLU 33 3.540 -4.798 10.392
270 H ASP 34 H ASP 34 1.367 -6.157 6.553
271 HA ASP 34 HA ASP 34 2.598 -7.402 4.354
272 HB2 ASP 34 HB2 ASP 34 -0.376 -6.929 4.851
273 HB3 ASP 34 HB3 ASP 34 0.263 -8.018 3.623
274 H ALA 35 H ALA 35 0.891 -4.367 4.558
275 HA ALA 35 HA ALA 35 0.684 -3.777 1.780
276 HB1 ALA 35 HB1 ALA 35 0.125 -1.512 2.529
277 HB2 ALA 35 HB2 ALA 35 0.643 -1.918 4.168
278 HB3 ALA 35 HB3 ALA 35 -0.757 -2.725 3.458
279 H GLU 36 H GLU 36 3.027 -2.779 4.335
280 HA GLU 36 HA GLU 36 4.497 -1.051 2.588
281 HB2 GLU 36 HB2 GLU 36 6.042 -0.697 4.404
282 HB3 GLU 36 HB3 GLU 36 4.419 -0.764 5.081
283 HG2 GLU 36 HG2 GLU 36 4.862 -3.147 5.730
284 HG3 GLU 36 HG3 GLU 36 6.526 -2.938 5.187
285 H ARG 37 H ARG 37 4.798 -4.450 3.440
286 HA ARG 37 HA ARG 37 7.389 -5.027 2.492
287 HB2 ARG 37 HB2 ARG 37 4.919 -6.826 2.421
288 HB3 ARG 37 HB3 ARG 37 6.577 -7.375 2.206
289 HG2 ARG 37 HG2 ARG 37 7.107 -6.732 4.516
290 HG3 ARG 37 HG3 ARG 37 5.469 -6.135 4.739
291 HD2 ARG 37 HD2 ARG 37 4.697 -8.534 4.159
292 HD3 ARG 37 HD3 ARG 37 6.382 -9.005 4.387
293 HE ARG 37 HE ARG 37 4.444 -8.503 6.393
294 HH11 ARG 37 HH11 ARG 37 7.915 -8.081 5.850
295 HH12 ARG 37 HH12 ARG 37 8.288 -8.119 7.543
296 HH21 ARG 37 HH21 ARG 37 4.955 -8.518 8.578
297 HH22 ARG 37 HH22 ARG 37 6.604 -8.366 9.096
298 H MET 38 H MET 38 4.223 -5.238 0.867
299 HA MET 38 HA MET 38 5.374 -5.846 -1.692
300 HB2 MET 38 HB2 MET 38 2.521 -5.279 -0.854
301 HB3 MET 38 HB3 MET 38 2.985 -5.704 -2.495
302 HG2 MET 38 HG2 MET 38 3.452 -7.468 -0.075
303 HG3 MET 38 HG3 MET 38 2.082 -7.613 -1.168
304 HE1 MET 38 HE1 MET 38 6.404 -9.039 -2.036
305 HE2 MET 38 HE2 MET 38 5.708 -8.771 -0.438
306 HE3 MET 38 HE3 MET 38 6.134 -7.396 -1.457
307 H ALA 39 H ALA 39 4.609 -2.908 -0.026
308 HA ALA 39 HA ALA 39 4.416 -1.173 -2.301
309 HB1 ALA 39 HB1 ALA 39 4.791 0.657 -0.687
310 HB2 ALA 39 HB2 ALA 39 5.249 -0.517 0.553
311 HB3 ALA 39 HB3 ALA 39 3.600 -0.495 -0.076
312 H ARG 40 H ARG 40 7.103 -2.151 -0.167
313 HA ARG 40 HA ARG 40 9.086 -0.558 -1.554
314 HB2 ARG 40 HB2 ARG 40 10.707 -1.480 0.019
315 HB3 ARG 40 HB3 ARG 40 9.266 -0.944 0.874
316 HG2 ARG 40 HG2 ARG 40 8.483 -3.283 1.030
317 HG3 ARG 40 HG3 ARG 40 9.937 -3.829 0.194
318 HD2 ARG 40 HD2 ARG 40 10.125 -4.163 2.606
319 HD3 ARG 40 HD3 ARG 40 11.315 -2.984 2.045
320 HE ARG 40 HE ARG 40 9.398 -1.340 2.842
321 HH11 ARG 40 HH11 ARG 40 10.620 -4.200 4.508
322 HH12 ARG 40 HH12 ARG 40 10.267 -3.572 6.084
323 HH21 ARG 40 HH21 ARG 40 9.007 -0.517 4.907
324 HH22 ARG 40 HH22 ARG 40 9.351 -1.480 6.309
325 H ASN 41 H ASN 41 7.627 -3.473 -2.294
326 HA ASN 41 HA ASN 41 9.837 -4.202 -4.134
327 HB2 ASN 41 HB2 ASN 41 7.818 -6.096 -2.853
328 HB3 ASN 41 HB3 ASN 41 8.953 -6.559 -4.116
329 HD21 ASN 41 HD21 ASN 41 8.512 -6.261 -0.779
330 HD22 ASN 41 HD22 ASN 41 10.133 -6.555 -0.286
331 H CYS 42 H CYS 42 7.016 -2.620 -4.125
332 HA CYS 42 HA CYS 42 5.655 -3.770 -6.390
333 HB2 CYS 42 HB2 CYS 42 4.254 -2.430 -4.991
334 HB3 CYS 42 HB3 CYS 42 5.414 -1.105 -4.954
335 H GLU 43 H GLU 43 7.582 -0.782 -5.967
336 HA GLU 43 HA GLU 43 8.711 -0.714 -8.560
337 HB2 GLU 43 HB2 GLU 43 6.255 -0.356 -9.121
338 HB3 GLU 43 HB3 GLU 43 6.288 1.110 -8.149
339 HG2 GLU 43 HG2 GLU 43 8.055 2.008 -9.675
340 HG3 GLU 43 HG3 GLU 43 7.854 0.571 -10.675
341 H SER 44 H SER 44 7.189 1.282 -6.076
342 HA SER 44 HA SER 44 9.045 3.428 -6.064
343 HB2 SER 44 HB2 SER 44 7.054 2.581 -3.906
344 HB3 SER 44 HB3 SER 44 7.786 4.177 -4.094
345 HG SER 44 HG SER 44 6.750 4.181 -6.221