Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
584286 | 2muq RC | 25229 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 H SER 1 11.112 -2.271 -17.664
2 HA SER 1 HA SER 1 8.958 -3.095 -18.904
3 HB2 SER 1 HB2 SER 1 9.935 -3.801 -16.176
4 HB3 SER 1 HB3 SER 1 8.384 -4.462 -16.692
5 HG SER 1 HG SER 1 10.905 -5.137 -17.470
6 H HIS 2 H HIS 2 6.753 -3.009 -18.862
7 HA HIS 2 HA HIS 2 5.553 -0.744 -17.620
8 HB2 HIS 2 HB2 HIS 2 4.933 -2.021 -19.837
9 HB3 HIS 2 HB3 HIS 2 3.921 -2.979 -18.760
10 HD1 HIS 2 HD1 HIS 2 3.842 -0.014 -20.771
11 HD2 HIS 2 HD2 HIS 2 2.090 -1.201 -17.196
12 HE1 HIS 2 HE1 HIS 2 1.892 1.538 -20.430
13 H MET 3 H MET 3 4.818 -4.223 -17.282
14 HA MET 3 HA MET 3 3.504 -3.696 -14.742
15 HB2 MET 3 HB2 MET 3 3.752 -6.122 -16.504
16 HB3 MET 3 HB3 MET 3 3.121 -6.242 -14.867
17 HG2 MET 3 HG2 MET 3 1.248 -4.938 -15.368
18 HG3 MET 3 HG3 MET 3 1.970 -4.317 -16.850
19 HE1 MET 3 HE1 MET 3 0.300 -8.535 -16.189
20 HE2 MET 3 HE2 MET 3 2.043 -8.336 -16.004
21 HE3 MET 3 HE3 MET 3 0.937 -7.430 -14.969
22 H GLY 4 H GLY 4 5.944 -3.003 -14.223
23 HA2 GLY 4 HA2 GLY 4 7.109 -5.316 -12.802
24 HA3 GLY 4 HA3 GLY 4 8.122 -4.161 -13.656
25 H ALA 5 H ALA 5 8.018 -1.894 -12.910
26 HA ALA 5 HA ALA 5 7.725 -1.820 -9.985
27 HB1 ALA 5 HB1 ALA 5 9.628 -0.588 -11.880
28 HB2 ALA 5 HB2 ALA 5 9.159 0.382 -10.484
29 HB3 ALA 5 HB3 ALA 5 9.887 -1.207 -10.250
30 H ALA 6 H ALA 6 5.844 -0.967 -9.381
31 HA ALA 6 HA ALA 6 5.065 1.623 -10.491
32 HB1 ALA 6 HB1 ALA 6 3.607 -0.878 -10.881
33 HB2 ALA 6 HB2 ALA 6 2.620 0.427 -10.224
34 HB3 ALA 6 HB3 ALA 6 3.483 0.655 -11.744
35 H ALA 7 H ALA 7 3.200 2.567 -9.187
36 HA ALA 7 HA ALA 7 3.345 1.719 -6.373
37 HB1 ALA 7 HB1 ALA 7 3.426 4.077 -5.684
38 HB2 ALA 7 HB2 ALA 7 4.841 3.609 -6.628
39 HB3 ALA 7 HB3 ALA 7 3.555 4.555 -7.377
40 H LEU 8 H LEU 8 1.423 1.531 -5.410
41 HA LEU 8 HA LEU 8 -0.913 2.735 -6.743
42 HB2 LEU 8 HB2 LEU 8 -2.140 0.842 -5.474
43 HB3 LEU 8 HB3 LEU 8 -1.274 0.475 -6.964
44 HG LEU 8 HG LEU 8 0.637 -0.323 -5.550
45 HD11 LEU 8 HD11 LEU 8 -1.146 0.643 -3.459
46 HD12 LEU 8 HD12 LEU 8 0.583 0.302 -3.409
47 HD13 LEU 8 HD13 LEU 8 -0.579 -1.006 -3.187
48 HD21 LEU 8 HD21 LEU 8 -2.034 -1.589 -5.737
49 HD22 LEU 8 HD22 LEU 8 -0.855 -2.347 -4.667
50 HD23 LEU 8 HD23 LEU 8 -0.478 -2.119 -6.374
51 H ARG 9 H ARG 9 -2.696 3.364 -5.357
52 HA ARG 9 HA ARG 9 -1.737 4.317 -2.745
53 HB2 ARG 9 HB2 ARG 9 -2.752 5.804 -4.738
54 HB3 ARG 9 HB3 ARG 9 -4.247 5.389 -3.911
55 HG2 ARG 9 HG2 ARG 9 -2.021 6.374 -2.233
56 HG3 ARG 9 HG3 ARG 9 -2.801 7.540 -3.304
57 HD2 ARG 9 HD2 ARG 9 -4.981 6.396 -2.277
58 HD3 ARG 9 HD3 ARG 9 -3.869 6.111 -0.938
59 HE ARG 9 HE ARG 9 -3.513 8.734 -1.472
60 HH11 ARG 9 HH11 ARG 9 -6.341 6.785 -0.897
61 HH12 ARG 9 HH12 ARG 9 -7.249 8.081 -0.190
62 HH21 ARG 9 HH21 ARG 9 -4.699 10.447 -0.545
63 HH22 ARG 9 HH22 ARG 9 -6.315 10.163 0.008
64 H SER 10 H SER 10 -3.305 1.765 -3.851
65 HA SER 10 HA SER 10 -4.838 1.445 -1.404
66 HB2 SER 10 HB2 SER 10 -6.728 0.475 -3.029
67 HB3 SER 10 HB3 SER 10 -6.709 2.161 -2.516
68 HG SER 10 HG SER 10 -6.427 2.702 -4.516
69 H CYS 11 H CYS 11 -5.885 -0.846 -1.436
70 HA CYS 11 HA CYS 11 -3.843 -2.698 -2.466
71 HB2 CYS 11 HB2 CYS 11 -4.386 -2.438 0.077
72 HB3 CYS 11 HB3 CYS 11 -5.798 -3.418 -0.307
73 HA PRO 12 HA PRO 12 -7.433 -3.727 -5.091
74 HB2 PRO 12 HB2 PRO 12 -5.922 -4.689 -7.131
75 HB3 PRO 12 HB3 PRO 12 -6.260 -2.968 -6.915
76 HG2 PRO 12 HG2 PRO 12 -3.819 -4.527 -6.159
77 HG3 PRO 12 HG3 PRO 12 -3.935 -2.927 -6.913
78 HD2 PRO 12 HD2 PRO 12 -3.445 -3.260 -4.271
79 HD3 PRO 12 HD3 PRO 12 -4.352 -1.872 -4.906
80 H MET 13 H MET 13 -5.023 -5.511 -3.524
81 HA MET 13 HA MET 13 -5.674 -8.097 -4.578
82 HB2 MET 13 HB2 MET 13 -3.954 -7.056 -2.376
83 HB3 MET 13 HB3 MET 13 -4.422 -8.750 -2.334
84 HG2 MET 13 HG2 MET 13 -3.530 -8.938 -4.678
85 HG3 MET 13 HG3 MET 13 -2.860 -7.322 -4.464
86 HE1 MET 13 HE1 MET 13 -0.895 -6.720 -3.459
87 HE2 MET 13 HE2 MET 13 -1.272 -7.045 -1.767
88 HE3 MET 13 HE3 MET 13 0.208 -7.690 -2.481
89 H CYS 14 H CYS 14 -6.679 -6.154 -1.834
90 HA CYS 14 HA CYS 14 -8.716 -8.191 -1.222
91 HB2 CYS 14 HB2 CYS 14 -8.532 -7.680 1.138
92 HB3 CYS 14 HB3 CYS 14 -6.946 -8.128 0.520
93 H GLN 15 H GLN 15 -8.386 -5.386 -2.641
94 HA GLN 15 HA GLN 15 -9.712 -3.586 -3.053
95 HB2 GLN 15 HB2 GLN 15 -11.650 -5.558 -1.899
96 HB3 GLN 15 HB3 GLN 15 -12.182 -3.920 -2.255
97 HG2 GLN 15 HG2 GLN 15 -11.350 -4.252 -4.591
98 HG3 GLN 15 HG3 GLN 15 -11.079 -5.946 -4.182
99 HE21 GLN 15 HE21 GLN 15 -12.987 -7.123 -3.342
100 HE22 GLN 15 HE22 GLN 15 -14.528 -6.762 -4.036
101 H LYS 16 H LYS 16 -8.095 -3.115 -1.002
102 HA LYS 16 HA LYS 16 -9.789 -1.858 1.056
103 HB2 LYS 16 HB2 LYS 16 -8.349 -3.525 2.040
104 HB3 LYS 16 HB3 LYS 16 -6.943 -2.857 1.222
105 HG2 LYS 16 HG2 LYS 16 -6.885 -0.976 2.605
106 HG3 LYS 16 HG3 LYS 16 -8.537 -1.232 3.171
107 HD2 LYS 16 HD2 LYS 16 -7.721 -3.374 4.222
108 HD3 LYS 16 HD3 LYS 16 -6.081 -2.842 3.844
109 HE2 LYS 16 HE2 LYS 16 -6.530 -0.762 5.139
110 HE3 LYS 16 HE3 LYS 16 -8.086 -1.444 5.610
111 HZ1 LYS 16 HZ1 LYS 16 -6.846 -3.333 6.589
112 HZ2 LYS 16 HZ2 LYS 16 -6.522 -1.854 7.342
113 HZ3 LYS 16 HZ3 LYS 16 -5.398 -2.517 6.266
114 H GLU 17 H GLU 17 -9.320 0.260 1.711
115 HA GLU 17 HA GLU 17 -7.747 1.791 -0.247
116 HB2 GLU 17 HB2 GLU 17 -10.099 2.541 1.482
117 HB3 GLU 17 HB3 GLU 17 -9.103 3.750 0.684
118 HG2 GLU 17 HG2 GLU 17 -9.676 2.870 -1.478
119 HG3 GLU 17 HG3 GLU 17 -10.555 1.534 -0.740
120 H PHE 18 H PHE 18 -5.967 2.827 0.381
121 HA PHE 18 HA PHE 18 -5.143 2.652 3.150
122 HB2 PHE 18 HB2 PHE 18 -3.738 3.715 0.693
123 HB3 PHE 18 HB3 PHE 18 -3.007 3.631 2.293
124 HD1 PHE 18 HD2 PHE 18 -3.860 1.040 3.277
125 HD2 PHE 18 HD1 PHE 18 -2.628 2.191 -0.631
126 HE1 PHE 18 HE2 PHE 18 -3.141 -1.270 2.828
127 HE2 PHE 18 HE1 PHE 18 -1.907 -0.118 -1.087
128 HZ PHE 18 HZ PHE 18 -2.163 -1.851 0.643
129 H ALA 19 H ALA 19 -5.173 4.249 4.604
130 HA ALA 19 HA ALA 19 -6.608 6.623 4.151
131 HB1 ALA 19 HB1 ALA 19 -4.994 7.054 6.400
132 HB2 ALA 19 HB2 ALA 19 -6.662 6.481 6.366
133 HB3 ALA 19 HB3 ALA 19 -5.332 5.323 6.371
134 HA PRO 20 HA PRO 20 -3.693 9.514 2.602
135 HB2 PRO 20 HB2 PRO 20 -4.338 11.776 3.957
136 HB3 PRO 20 HB3 PRO 20 -5.359 11.094 2.686
137 HG2 PRO 20 HG2 PRO 20 -5.620 10.851 5.658
138 HG3 PRO 20 HG3 PRO 20 -6.880 11.141 4.445
139 HD2 PRO 20 HD2 PRO 20 -6.440 8.702 5.534
140 HD3 PRO 20 HD3 PRO 20 -7.012 8.914 3.867
141 H ARG 21 H ARG 21 -3.895 9.184 6.095
142 HA ARG 21 HA ARG 21 -1.522 10.621 6.702
143 HB2 ARG 21 HB2 ARG 21 -1.687 9.512 8.911
144 HB3 ARG 21 HB3 ARG 21 -3.198 10.257 8.409
145 HG2 ARG 21 HG2 ARG 21 -4.221 8.211 8.008
146 HG3 ARG 21 HG3 ARG 21 -2.681 7.354 7.905
147 HD2 ARG 21 HD2 ARG 21 -2.332 7.577 10.267
148 HD3 ARG 21 HD3 ARG 21 -3.740 8.627 10.423
149 HE ARG 21 HE ARG 21 -4.604 6.210 9.343
150 HH11 ARG 21 HH11 ARG 21 -3.212 7.410 12.299
151 HH12 ARG 21 HH12 ARG 21 -3.960 6.205 13.295
152 HH21 ARG 21 HH21 ARG 21 -5.594 4.618 10.642
153 HH22 ARG 21 HH22 ARG 21 -5.314 4.617 12.351
154 H LEU 22 H LEU 22 -2.165 7.394 5.626
155 HA LEU 22 HA LEU 22 0.173 6.113 6.511
156 HB2 LEU 22 HB2 LEU 22 -1.624 5.626 4.150
157 HB3 LEU 22 HB3 LEU 22 -0.257 4.584 4.537
158 HG LEU 22 HG LEU 22 -2.598 5.087 6.372
159 HD11 LEU 22 HD11 LEU 22 -3.426 2.937 5.737
160 HD12 LEU 22 HD12 LEU 22 -2.027 2.645 4.704
161 HD13 LEU 22 HD13 LEU 22 -3.198 3.890 4.270
162 HD21 LEU 22 HD21 LEU 22 -1.465 3.977 7.927
163 HD22 LEU 22 HD22 LEU 22 -0.042 4.094 6.893
164 HD23 LEU 22 HD23 LEU 22 -1.084 2.674 6.802
165 H THR 23 H THR 23 2.106 5.608 5.401
166 HA THR 23 HA THR 23 2.851 7.611 3.375
167 HB THR 23 HB THR 23 5.252 6.820 4.162
168 HG1 THR 23 HG1 THR 23 4.015 5.324 5.701
169 HG21 THR 23 HG21 THR 23 4.550 9.105 4.317
170 HG22 THR 23 HG22 THR 23 5.197 8.637 5.890
171 HG23 THR 23 HG23 THR 23 3.454 8.734 5.647
172 H GLN 24 H GLN 24 4.759 6.825 1.980
173 HA GLN 24 HA GLN 24 3.922 4.790 0.317
174 HB2 GLN 24 HB2 GLN 24 6.164 4.836 -0.655
175 HB3 GLN 24 HB3 GLN 24 5.587 6.465 -0.333
176 HG2 GLN 24 HG2 GLN 24 6.886 6.166 1.911
177 HG3 GLN 24 HG3 GLN 24 7.745 4.917 1.013
178 HE21 GLN 24 HE21 GLN 24 8.833 7.343 2.055
179 HE22 GLN 24 HE22 GLN 24 9.423 8.259 0.713
180 H LEU 25 H LEU 25 5.964 4.619 3.165
181 HA LEU 25 HA LEU 25 6.813 1.931 2.777
182 HB2 LEU 25 HB2 LEU 25 7.709 2.051 4.963
183 HB3 LEU 25 HB3 LEU 25 7.943 3.633 4.222
184 HG LEU 25 HG LEU 25 5.662 4.131 5.507
185 HD11 LEU 25 HD11 LEU 25 6.219 2.977 7.845
186 HD12 LEU 25 HD12 LEU 25 6.780 1.700 6.767
187 HD13 LEU 25 HD13 LEU 25 5.114 2.267 6.668
188 HD21 LEU 25 HD21 LEU 25 7.437 4.551 7.534
189 HD22 LEU 25 HD22 LEU 25 7.207 5.621 6.151
190 HD23 LEU 25 HD23 LEU 25 8.506 4.427 6.136
191 H ASP 26 H ASP 26 4.097 3.442 4.418
192 HA ASP 26 HA ASP 26 3.179 1.175 5.815
193 HB2 ASP 26 HB2 ASP 26 1.809 3.679 4.846
194 HB3 ASP 26 HB3 ASP 26 0.939 2.422 5.721
195 H VAL 27 H VAL 27 2.324 2.474 2.622
196 HA VAL 27 HA VAL 27 0.319 0.677 1.945
197 HB VAL 27 HB VAL 27 2.363 1.932 0.106
198 HG11 VAL 27 HG11 VAL 27 0.327 0.011 -0.411
199 HG12 VAL 27 HG12 VAL 27 -0.140 1.541 -1.157
200 HG13 VAL 27 HG13 VAL 27 1.412 0.803 -1.551
201 HG21 VAL 27 HG21 VAL 27 -0.153 2.903 1.356
202 HG22 VAL 27 HG22 VAL 27 1.340 3.771 0.996
203 HG23 VAL 27 HG23 VAL 27 0.201 3.402 -0.298
204 H ASP 28 H ASP 28 3.806 0.440 1.253
205 HA ASP 28 HA ASP 28 3.704 -2.081 0.015
206 HB2 ASP 28 HB2 ASP 28 5.819 -0.351 1.166
207 HB3 ASP 28 HB3 ASP 28 6.210 -2.062 1.012
208 H SER 29 H SER 29 3.956 -1.123 3.379
209 HA SER 29 HA SER 29 4.772 -3.508 4.537
210 HB2 SER 29 HB2 SER 29 4.195 -1.130 5.560
211 HB3 SER 29 HB3 SER 29 2.652 -1.908 5.907
212 HG SER 29 HG SER 29 3.873 -3.572 6.970
213 H HIS 30 H HIS 30 1.443 -2.403 3.915
214 HA HIS 30 HA HIS 30 0.272 -4.872 4.749
215 HB2 HIS 30 HB2 HIS 30 -0.962 -2.752 4.874
216 HB3 HIS 30 HB3 HIS 30 -0.908 -2.613 3.118
217 HD1 HIS 30 HD1 HIS 30 -3.101 -3.636 5.711
218 HD2 HIS 30 HD2 HIS 30 -2.241 -5.056 1.903
219 HE1 HIS 30 HE1 HIS 30 -5.067 -5.065 5.066
220 H LEU 31 H LEU 31 1.256 -3.494 1.672
221 HA LEU 31 HA LEU 31 -0.009 -5.277 -0.060
222 HB2 LEU 31 HB2 LEU 31 2.498 -3.654 -0.240
223 HB3 LEU 31 HB3 LEU 31 2.059 -4.762 -1.538
224 HG LEU 31 HG LEU 31 0.407 -2.426 -0.579
225 HD11 LEU 31 HD11 LEU 31 1.464 -1.154 -2.061
226 HD12 LEU 31 HD12 LEU 31 1.278 -2.367 -3.327
227 HD13 LEU 31 HD13 LEU 31 2.653 -2.448 -2.226
228 HD21 LEU 31 HD21 LEU 31 -0.034 -4.489 -2.724
229 HD22 LEU 31 HD22 LEU 31 -0.877 -2.940 -2.693
230 HD23 LEU 31 HD23 LEU 31 -1.085 -4.084 -1.365
231 H ALA 32 H ALA 32 2.777 -5.676 1.968
232 HA ALA 32 HA ALA 32 3.694 -8.069 0.631
233 HB1 ALA 32 HB1 ALA 32 5.019 -6.267 2.067
234 HB2 ALA 32 HB2 ALA 32 4.640 -7.406 3.360
235 HB3 ALA 32 HB3 ALA 32 5.543 -7.946 1.945
236 H GLN 33 H GLN 33 1.952 -7.244 3.596
237 HA GLN 33 HA GLN 33 1.800 -9.930 4.547
238 HB2 GLN 33 HB2 GLN 33 0.138 -7.511 5.274
239 HB3 GLN 33 HB3 GLN 33 0.163 -9.031 6.158
240 HG2 GLN 33 HG2 GLN 33 2.622 -8.661 6.513
241 HG3 GLN 33 HG3 GLN 33 2.393 -7.041 5.854
242 HE21 GLN 33 HE21 GLN 33 2.690 -5.785 7.584
243 HE22 GLN 33 HE22 GLN 33 1.784 -5.887 9.051
244 H CYS 34 H CYS 34 -0.173 -7.930 2.363
245 HA CYS 34 HA CYS 34 -2.483 -9.516 2.556
246 HB2 CYS 34 HB2 CYS 34 -2.055 -7.106 1.523
247 HB3 CYS 34 HB3 CYS 34 -1.829 -8.016 0.043
248 H LEU 35 H LEU 35 0.154 -9.303 0.169
249 HA LEU 35 HA LEU 35 -0.631 -11.527 -1.381
250 HB2 LEU 35 HB2 LEU 35 1.272 -11.174 -2.609
251 HB3 LEU 35 HB3 LEU 35 1.021 -9.585 -1.891
252 HG LEU 35 HG LEU 35 2.671 -10.580 -0.059
253 HD11 LEU 35 HD11 LEU 35 3.107 -12.226 -2.512
254 HD12 LEU 35 HD12 LEU 35 3.124 -12.710 -0.817
255 HD13 LEU 35 HD13 LEU 35 4.473 -11.792 -1.484
256 HD21 LEU 35 HD21 LEU 35 4.256 -9.177 -0.927
257 HD22 LEU 35 HD22 LEU 35 2.827 -8.602 -1.787
258 HD23 LEU 35 HD23 LEU 35 3.961 -9.690 -2.589
259 H ALA 36 H ALA 36 1.227 -11.216 1.540
260 HA ALA 36 HA ALA 36 2.519 -13.742 1.449
261 HB1 ALA 36 HB1 ALA 36 2.930 -13.384 3.845
262 HB2 ALA 36 HB2 ALA 36 3.335 -11.963 2.883
263 HB3 ALA 36 HB3 ALA 36 1.838 -11.999 3.814
264 H GLU 37 H GLU 37 -0.620 -12.660 2.567
265 HA GLU 37 HA GLU 37 -1.261 -15.069 3.969
266 HB2 GLU 37 HB2 GLU 37 -2.755 -12.622 3.133
267 HB3 GLU 37 HB3 GLU 37 -3.674 -14.048 3.596
268 HG2 GLU 37 HG2 GLU 37 -2.484 -14.075 5.755
269 HG3 GLU 37 HG3 GLU 37 -1.660 -12.588 5.289
270 H SER 38 H SER 38 -1.758 -13.861 0.710
271 HA SER 38 HA SER 38 -2.558 -14.826 -1.190
272 HB2 SER 38 HB2 SER 38 -1.745 -16.946 -1.674
273 HB3 SER 38 HB3 SER 38 -0.685 -16.468 -0.348
274 HG SER 38 HG SER 38 -1.931 -18.634 -0.372
275 H THR 39 H THR 39 -4.398 -14.377 1.039
276 HA THR 39 HA THR 39 -6.337 -16.549 0.692
277 HB THR 39 HB THR 39 -6.454 -14.212 2.607
278 HG1 THR 39 HG1 THR 39 -4.721 -15.714 3.030
279 HG21 THR 39 HG21 THR 39 -8.071 -15.873 3.757
280 HG22 THR 39 HG22 THR 39 -8.163 -16.637 2.170
281 HG23 THR 39 HG23 THR 39 -8.650 -14.954 2.369
282 H GLU 40 H GLU 40 -6.679 -15.786 -1.554
283 HA GLU 40 HA GLU 40 -8.374 -13.389 -1.699
284 HB2 GLU 40 HB2 GLU 40 -7.962 -13.446 -4.118
285 HB3 GLU 40 HB3 GLU 40 -6.459 -13.371 -3.210
286 HG2 GLU 40 HG2 GLU 40 -7.516 -16.024 -4.052
287 HG3 GLU 40 HG3 GLU 40 -6.719 -14.991 -5.239
288 H ASP 41 H ASP 41 -9.265 -15.982 -0.683
289 HA ASP 41 HA ASP 41 -11.431 -16.457 -2.617
290 HB2 ASP 41 HB2 ASP 41 -11.404 -18.869 -1.797
291 HB3 ASP 41 HB3 ASP 41 -10.074 -18.387 -2.847
292 H VAL 42 H VAL 42 -11.515 -14.669 -0.448
293 HA VAL 42 HA VAL 42 -12.647 -15.792 1.885
294 HB VAL 42 HB VAL 42 -13.126 -13.011 0.812
295 HG11 VAL 42 HG11 VAL 42 -13.064 -13.939 3.673
296 HG12 VAL 42 HG12 VAL 42 -13.634 -12.394 3.039
297 HG13 VAL 42 HG13 VAL 42 -14.544 -13.870 2.718
298 HG21 VAL 42 HG21 VAL 42 -10.781 -14.220 2.215
299 HG22 VAL 42 HG22 VAL 42 -10.817 -13.086 0.865
300 HG23 VAL 42 HG23 VAL 42 -11.195 -12.529 2.495
301 H THR 43 H THR 43 -14.438 -16.985 1.858
302 HA THR 43 HA THR 43 -16.724 -16.036 0.256
303 HB THR 43 HB THR 43 -17.515 -18.369 0.179
304 HG1 THR 43 HG1 THR 43 -16.662 -19.543 1.746
305 HG21 THR 43 HG21 THR 43 -14.694 -17.977 -0.824
306 HG22 THR 43 HG22 THR 43 -16.178 -17.549 -1.676
307 HG23 THR 43 HG23 THR 43 -15.796 -19.242 -1.364
308 H TRP 44 H TRP 44 -17.206 -14.691 2.159
309 HA TRP 44 HA TRP 44 -18.714 -16.237 4.159
310 HB2 TRP 44 HB2 TRP 44 -16.609 -15.357 5.139
311 HB3 TRP 44 HB3 TRP 44 -17.122 -13.725 4.719
312 HD1 TRP 44 HD1 TRP 44 -19.308 -12.765 6.065
313 HE1 TRP 44 HE1 TRP 44 -20.152 -13.295 8.437
314 HE3 TRP 44 HE3 TRP 44 -16.785 -17.139 6.866
315 HZ2 TRP 44 HZ2 TRP 44 -19.795 -15.301 10.392
316 HZ3 TRP 44 HZ3 TRP 44 -17.091 -18.300 9.013
317 HH2 TRP 44 HH2 TRP 44 -18.565 -17.399 10.738
Start of MODEL 2
1 H1 SER 1 H SER 1 -0.085 5.630 -17.029
2 HA SER 1 HA SER 1 -1.938 3.477 -17.788
3 HB2 SER 1 HB2 SER 1 -0.048 2.531 -19.058
4 HB3 SER 1 HB3 SER 1 -0.402 4.182 -19.566
5 HG SER 1 HG SER 1 1.796 4.023 -19.297
6 H HIS 2 H HIS 2 -2.278 2.090 -16.183
7 HA HIS 2 HA HIS 2 -0.619 1.745 -13.945
8 HB2 HIS 2 HB2 HIS 2 -2.052 -0.096 -13.349
9 HB3 HIS 2 HB3 HIS 2 -3.052 1.173 -14.052
10 HD1 HIS 2 HD1 HIS 2 -3.721 0.753 -16.648
11 HD2 HIS 2 HD2 HIS 2 -2.341 -2.535 -14.516
12 HE1 HIS 2 HE1 HIS 2 -4.446 -1.259 -17.972
13 H MET 3 H MET 3 -0.625 0.248 -17.083
14 HA MET 3 HA MET 3 0.788 -2.094 -16.552
15 HB2 MET 3 HB2 MET 3 0.608 -0.320 -18.971
16 HB3 MET 3 HB3 MET 3 1.645 -1.741 -18.970
17 HG2 MET 3 HG2 MET 3 -0.123 -3.204 -18.889
18 HG3 MET 3 HG3 MET 3 -1.207 -2.019 -18.161
19 HE1 MET 3 HE1 MET 3 -3.465 -1.807 -20.208
20 HE2 MET 3 HE2 MET 3 -2.949 -3.042 -21.355
21 HE3 MET 3 HE3 MET 3 -2.713 -3.291 -19.625
22 H GLY 4 H GLY 4 2.830 -2.518 -15.989
23 HA2 GLY 4 HA2 GLY 4 5.201 -2.128 -16.244
24 HA3 GLY 4 HA3 GLY 4 4.855 -0.410 -16.378
25 H ALA 5 H ALA 5 6.631 -0.401 -14.725
26 HA ALA 5 HA ALA 5 5.921 -1.260 -12.059
27 HB1 ALA 5 HB1 ALA 5 8.292 0.244 -13.150
28 HB2 ALA 5 HB2 ALA 5 8.089 -0.159 -11.444
29 HB3 ALA 5 HB3 ALA 5 8.220 -1.444 -12.644
30 H ALA 6 H ALA 6 3.927 0.047 -12.005
31 HA ALA 6 HA ALA 6 4.400 2.905 -11.525
32 HB1 ALA 6 HB1 ALA 6 2.439 3.279 -12.498
33 HB2 ALA 6 HB2 ALA 6 2.388 1.564 -12.913
34 HB3 ALA 6 HB3 ALA 6 1.626 2.135 -11.429
35 H ALA 7 H ALA 7 2.537 3.693 -9.854
36 HA ALA 7 HA ALA 7 2.967 2.086 -7.420
37 HB1 ALA 7 HB1 ALA 7 4.011 4.461 -7.695
38 HB2 ALA 7 HB2 ALA 7 2.382 5.010 -7.302
39 HB3 ALA 7 HB3 ALA 7 3.268 3.992 -6.167
40 H LEU 8 H LEU 8 1.270 1.957 -5.897
41 HA LEU 8 HA LEU 8 -1.383 2.693 -6.945
42 HB2 LEU 8 HB2 LEU 8 -2.132 0.614 -5.601
43 HB3 LEU 8 HB3 LEU 8 -1.417 0.406 -7.199
44 HG LEU 8 HG LEU 8 0.366 0.227 -4.821
45 HD11 LEU 8 HD11 LEU 8 -1.224 -1.206 -3.961
46 HD12 LEU 8 HD12 LEU 8 -0.223 -2.302 -4.912
47 HD13 LEU 8 HD13 LEU 8 -1.764 -1.735 -5.554
48 HD21 LEU 8 HD21 LEU 8 0.676 -1.804 -6.803
49 HD22 LEU 8 HD22 LEU 8 1.780 -0.501 -6.366
50 HD23 LEU 8 HD23 LEU 8 0.545 -0.236 -7.597
51 H ARG 9 H ARG 9 -2.821 3.576 -5.532
52 HA ARG 9 HA ARG 9 -1.774 4.234 -2.873
53 HB2 ARG 9 HB2 ARG 9 -2.687 5.947 -4.663
54 HB3 ARG 9 HB3 ARG 9 -4.246 5.484 -3.993
55 HG2 ARG 9 HG2 ARG 9 -3.577 7.415 -2.829
56 HG3 ARG 9 HG3 ARG 9 -3.307 6.065 -1.725
57 HD2 ARG 9 HD2 ARG 9 -1.345 7.246 -1.490
58 HD3 ARG 9 HD3 ARG 9 -0.906 6.084 -2.742
59 HE ARG 9 HE ARG 9 -1.913 8.561 -3.786
60 HH11 ARG 9 HH11 ARG 9 0.909 6.896 -2.611
61 HH12 ARG 9 HH12 ARG 9 2.024 7.901 -3.477
62 HH21 ARG 9 HH21 ARG 9 -0.456 9.892 -4.931
63 HH22 ARG 9 HH22 ARG 9 1.247 9.606 -4.795
64 H SER 10 H SER 10 -3.280 1.731 -3.901
65 HA SER 10 HA SER 10 -4.903 1.438 -1.518
66 HB2 SER 10 HB2 SER 10 -6.756 0.437 -3.129
67 HB3 SER 10 HB3 SER 10 -6.722 2.156 -2.742
68 HG SER 10 HG SER 10 -6.357 2.555 -4.764
69 H CYS 11 H CYS 11 -5.874 -0.859 -1.482
70 HA CYS 11 HA CYS 11 -3.811 -2.704 -2.479
71 HB2 CYS 11 HB2 CYS 11 -4.277 -2.405 0.050
72 HB3 CYS 11 HB3 CYS 11 -5.737 -3.339 -0.259
73 HA PRO 12 HA PRO 12 -7.418 -3.858 -5.033
74 HB2 PRO 12 HB2 PRO 12 -5.915 -4.828 -7.076
75 HB3 PRO 12 HB3 PRO 12 -6.290 -3.111 -6.890
76 HG2 PRO 12 HG2 PRO 12 -3.803 -4.599 -6.140
77 HG3 PRO 12 HG3 PRO 12 -3.967 -3.017 -6.925
78 HD2 PRO 12 HD2 PRO 12 -3.429 -3.285 -4.285
79 HD3 PRO 12 HD3 PRO 12 -4.377 -1.931 -4.934
80 H MET 13 H MET 13 -4.950 -5.553 -3.460
81 HA MET 13 HA MET 13 -5.524 -8.175 -4.456
82 HB2 MET 13 HB2 MET 13 -3.844 -7.021 -2.290
83 HB3 MET 13 HB3 MET 13 -4.302 -8.712 -2.143
84 HG2 MET 13 HG2 MET 13 -3.362 -9.114 -4.397
85 HG3 MET 13 HG3 MET 13 -2.808 -7.441 -4.422
86 HE1 MET 13 HE1 MET 13 -1.728 -6.479 -2.321
87 HE2 MET 13 HE2 MET 13 -0.431 -7.276 -1.431
88 HE3 MET 13 HE3 MET 13 -0.188 -6.811 -3.115
89 H CYS 14 H CYS 14 -6.602 -6.225 -1.739
90 HA CYS 14 HA CYS 14 -8.588 -8.311 -1.119
91 HB2 CYS 14 HB2 CYS 14 -8.467 -7.713 1.231
92 HB3 CYS 14 HB3 CYS 14 -6.861 -8.140 0.651
93 H GLN 15 H GLN 15 -8.229 -5.407 -2.476
94 HA GLN 15 HA GLN 15 -9.642 -3.700 -2.992
95 HB2 GLN 15 HB2 GLN 15 -11.247 -5.834 -2.916
96 HB3 GLN 15 HB3 GLN 15 -11.940 -4.942 -1.568
97 HG2 GLN 15 HG2 GLN 15 -12.379 -3.048 -2.990
98 HG3 GLN 15 HG3 GLN 15 -11.572 -3.838 -4.343
99 HE21 GLN 15 HE21 GLN 15 -13.571 -3.492 -5.480
100 HE22 GLN 15 HE22 GLN 15 -14.880 -4.599 -5.269
101 H LYS 16 H LYS 16 -8.097 -3.149 -0.910
102 HA LYS 16 HA LYS 16 -9.897 -1.845 1.027
103 HB2 LYS 16 HB2 LYS 16 -8.673 -3.513 2.214
104 HB3 LYS 16 HB3 LYS 16 -7.163 -3.050 1.439
105 HG2 LYS 16 HG2 LYS 16 -7.038 -1.036 2.676
106 HG3 LYS 16 HG3 LYS 16 -8.694 -1.215 3.259
107 HD2 LYS 16 HD2 LYS 16 -8.006 -3.256 4.475
108 HD3 LYS 16 HD3 LYS 16 -6.344 -2.977 3.950
109 HE2 LYS 16 HE2 LYS 16 -7.696 -0.708 5.271
110 HE3 LYS 16 HE3 LYS 16 -7.339 -2.100 6.291
111 HZ1 LYS 16 HZ1 LYS 16 -5.591 -0.097 5.427
112 HZ2 LYS 16 HZ2 LYS 16 -5.084 -1.551 4.727
113 HZ3 LYS 16 HZ3 LYS 16 -5.248 -1.433 6.407
114 H GLU 17 H GLU 17 -9.591 0.295 1.454
115 HA GLU 17 HA GLU 17 -7.775 1.712 -0.340
116 HB2 GLU 17 HB2 GLU 17 -10.257 2.403 1.139
117 HB3 GLU 17 HB3 GLU 17 -9.102 3.701 0.868
118 HG2 GLU 17 HG2 GLU 17 -9.533 2.178 -1.540
119 HG3 GLU 17 HG3 GLU 17 -11.052 2.787 -0.887
120 H PHE 18 H PHE 18 -6.077 2.924 0.319
121 HA PHE 18 HA PHE 18 -5.206 2.579 3.069
122 HB2 PHE 18 HB2 PHE 18 -3.849 3.726 0.625
123 HB3 PHE 18 HB3 PHE 18 -3.100 3.683 2.219
124 HD1 PHE 18 HD2 PHE 18 -3.732 1.100 3.269
125 HD2 PHE 18 HD1 PHE 18 -2.802 2.204 -0.735
126 HE1 PHE 18 HE2 PHE 18 -2.927 -1.184 2.829
127 HE2 PHE 18 HE1 PHE 18 -1.997 -0.077 -1.182
128 HZ PHE 18 HZ PHE 18 -2.059 -1.775 0.601
129 H ALA 19 H ALA 19 -5.055 4.151 4.577
130 HA ALA 19 HA ALA 19 -6.602 6.498 4.294
131 HB1 ALA 19 HB1 ALA 19 -5.088 5.186 6.395
132 HB2 ALA 19 HB2 ALA 19 -4.983 6.944 6.486
133 HB3 ALA 19 HB3 ALA 19 -6.559 6.154 6.496
134 HA PRO 20 HA PRO 20 -3.822 9.506 2.720
135 HB2 PRO 20 HB2 PRO 20 -4.450 11.702 4.187
136 HB3 PRO 20 HB3 PRO 20 -5.514 11.044 2.939
137 HG2 PRO 20 HG2 PRO 20 -5.632 10.688 5.909
138 HG3 PRO 20 HG3 PRO 20 -6.952 10.995 4.766
139 HD2 PRO 20 HD2 PRO 20 -6.413 8.527 5.742
140 HD3 PRO 20 HD3 PRO 20 -7.065 8.787 4.112
141 H ARG 21 H ARG 21 -3.878 9.120 6.223
142 HA ARG 21 HA ARG 21 -1.491 10.556 6.751
143 HB2 ARG 21 HB2 ARG 21 -1.593 9.595 8.956
144 HB3 ARG 21 HB3 ARG 21 -3.223 10.025 8.456
145 HG2 ARG 21 HG2 ARG 21 -3.388 7.560 7.700
146 HG3 ARG 21 HG3 ARG 21 -1.995 7.319 8.755
147 HD2 ARG 21 HD2 ARG 21 -4.622 8.544 9.590
148 HD3 ARG 21 HD3 ARG 21 -4.139 6.875 9.889
149 HE ARG 21 HE ARG 21 -3.328 9.186 11.356
150 HH11 ARG 21 HH11 ARG 21 -2.332 6.012 10.333
151 HH12 ARG 21 HH12 ARG 21 -1.233 5.788 11.654
152 HH21 ARG 21 HH21 ARG 21 -1.886 8.905 13.099
153 HH22 ARG 21 HH22 ARG 21 -0.981 7.435 13.228
154 H LEU 22 H LEU 22 -2.143 7.362 5.607
155 HA LEU 22 HA LEU 22 0.266 6.105 6.375
156 HB2 LEU 22 HB2 LEU 22 -1.678 5.573 4.143
157 HB3 LEU 22 HB3 LEU 22 -0.272 4.555 4.448
158 HG LEU 22 HG LEU 22 -2.496 5.037 6.428
159 HD11 LEU 22 HD11 LEU 22 -2.045 2.469 4.971
160 HD12 LEU 22 HD12 LEU 22 -3.005 3.750 4.232
161 HD13 LEU 22 HD13 LEU 22 -3.496 3.060 5.780
162 HD21 LEU 22 HD21 LEU 22 -1.308 3.867 7.908
163 HD22 LEU 22 HD22 LEU 22 0.079 4.163 6.858
164 HD23 LEU 22 HD23 LEU 22 -0.839 2.663 6.708
165 H THR 23 H THR 23 2.120 5.617 5.125
166 HA THR 23 HA THR 23 2.637 7.542 2.952
167 HB THR 23 HB THR 23 5.109 7.183 3.675
168 HG1 THR 23 HG1 THR 23 5.359 6.621 5.835
169 HG21 THR 23 HG21 THR 23 4.344 9.348 3.929
170 HG22 THR 23 HG22 THR 23 4.695 8.910 5.600
171 HG23 THR 23 HG23 THR 23 3.034 8.871 5.009
172 H GLN 24 H GLN 24 4.700 6.762 1.677
173 HA GLN 24 HA GLN 24 3.995 4.541 0.187
174 HB2 GLN 24 HB2 GLN 24 5.613 6.330 -0.486
175 HB3 GLN 24 HB3 GLN 24 6.810 5.573 0.556
176 HG2 GLN 24 HG2 GLN 24 6.490 3.475 -0.800
177 HG3 GLN 24 HG3 GLN 24 5.554 4.453 -1.929
178 HE21 GLN 24 HE21 GLN 24 6.586 5.832 -3.296
179 HE22 GLN 24 HE22 GLN 24 8.305 5.925 -3.445
180 H LEU 25 H LEU 25 6.022 4.759 3.046
181 HA LEU 25 HA LEU 25 7.032 2.104 2.915
182 HB2 LEU 25 HB2 LEU 25 7.883 2.478 5.096
183 HB3 LEU 25 HB3 LEU 25 8.047 3.988 4.203
184 HG LEU 25 HG LEU 25 5.731 4.499 5.405
185 HD11 LEU 25 HD11 LEU 25 6.877 2.213 6.860
186 HD12 LEU 25 HD12 LEU 25 5.212 2.787 6.770
187 HD13 LEU 25 HD13 LEU 25 6.357 3.572 7.857
188 HD21 LEU 25 HD21 LEU 25 7.200 5.417 7.336
189 HD22 LEU 25 HD22 LEU 25 7.441 6.029 5.699
190 HD23 LEU 25 HD23 LEU 25 8.546 4.824 6.362
191 H ASP 26 H ASP 26 4.190 3.581 4.347
192 HA ASP 26 HA ASP 26 3.413 1.317 5.892
193 HB2 ASP 26 HB2 ASP 26 1.827 3.692 4.897
194 HB3 ASP 26 HB3 ASP 26 1.207 2.487 6.021
195 H VAL 27 H VAL 27 2.415 2.575 2.724
196 HA VAL 27 HA VAL 27 0.428 0.728 2.130
197 HB VAL 27 HB VAL 27 2.375 2.011 0.208
198 HG11 VAL 27 HG11 VAL 27 1.380 0.862 -1.408
199 HG12 VAL 27 HG12 VAL 27 0.362 0.047 -0.220
200 HG13 VAL 27 HG13 VAL 27 -0.171 1.562 -0.949
201 HG21 VAL 27 HG21 VAL 27 1.202 3.675 1.507
202 HG22 VAL 27 HG22 VAL 27 0.556 3.653 -0.133
203 HG23 VAL 27 HG23 VAL 27 -0.342 2.890 1.177
204 H ASP 28 H ASP 28 3.920 0.527 1.540
205 HA ASP 28 HA ASP 28 3.878 -1.954 0.201
206 HB2 ASP 28 HB2 ASP 28 5.943 -0.256 1.492
207 HB3 ASP 28 HB3 ASP 28 6.346 -1.957 1.271
208 H SER 29 H SER 29 4.005 -1.090 3.598
209 HA SER 29 HA SER 29 4.778 -3.529 4.695
210 HB2 SER 29 HB2 SER 29 4.245 -1.170 5.785
211 HB3 SER 29 HB3 SER 29 2.677 -1.919 6.082
212 HG SER 29 HG SER 29 3.670 -2.700 7.769
213 H HIS 30 H HIS 30 1.480 -2.325 4.085
214 HA HIS 30 HA HIS 30 0.207 -4.743 4.854
215 HB2 HIS 30 HB2 HIS 30 -0.940 -2.554 4.845
216 HB3 HIS 30 HB3 HIS 30 -0.840 -2.521 3.087
217 HD1 HIS 30 HD1 HIS 30 -3.132 -3.309 5.672
218 HD2 HIS 30 HD2 HIS 30 -2.213 -5.005 1.991
219 HE1 HIS 30 HE1 HIS 30 -5.125 -4.717 5.063
220 H LEU 31 H LEU 31 1.360 -3.462 1.788
221 HA LEU 31 HA LEU 31 0.138 -5.329 0.083
222 HB2 LEU 31 HB2 LEU 31 2.615 -3.653 -0.140
223 HB3 LEU 31 HB3 LEU 31 2.144 -4.769 -1.421
224 HG LEU 31 HG LEU 31 0.463 -2.469 -0.424
225 HD11 LEU 31 HD11 LEU 31 1.047 -1.770 -2.910
226 HD12 LEU 31 HD12 LEU 31 2.502 -2.704 -2.566
227 HD13 LEU 31 HD13 LEU 31 2.078 -1.328 -1.550
228 HD21 LEU 31 HD21 LEU 31 -0.667 -2.993 -2.694
229 HD22 LEU 31 HD22 LEU 31 -1.047 -3.996 -1.294
230 HD23 LEU 31 HD23 LEU 31 0.087 -4.577 -2.516
231 H ALA 32 H ALA 32 2.822 -5.599 2.228
232 HA ALA 32 HA ALA 32 3.947 -7.933 0.948
233 HB1 ALA 32 HB1 ALA 32 5.348 -6.308 2.181
234 HB2 ALA 32 HB2 ALA 32 4.548 -6.798 3.676
235 HB3 ALA 32 HB3 ALA 32 5.520 -7.961 2.773
236 H GLN 33 H GLN 33 2.017 -7.233 3.837
237 HA GLN 33 HA GLN 33 1.890 -9.967 4.670
238 HB2 GLN 33 HB2 GLN 33 0.424 -7.471 5.495
239 HB3 GLN 33 HB3 GLN 33 0.009 -9.047 6.156
240 HG2 GLN 33 HG2 GLN 33 2.564 -9.165 6.689
241 HG3 GLN 33 HG3 GLN 33 2.465 -7.410 6.550
242 HE21 GLN 33 HE21 GLN 33 3.005 -7.263 8.765
243 HE22 GLN 33 HE22 GLN 33 1.823 -7.556 9.991
244 H CYS 34 H CYS 34 -0.069 -7.864 2.564
245 HA CYS 34 HA CYS 34 -2.336 -9.548 2.613
246 HB2 CYS 34 HB2 CYS 34 -2.014 -7.023 1.843
247 HB3 CYS 34 HB3 CYS 34 -1.758 -7.763 0.275
248 H LEU 35 H LEU 35 0.575 -9.211 0.662
249 HA LEU 35 HA LEU 35 -0.036 -10.915 -1.460
250 HB2 LEU 35 HB2 LEU 35 2.480 -9.975 -0.179
251 HB3 LEU 35 HB3 LEU 35 2.573 -11.301 -1.335
252 HG LEU 35 HG LEU 35 1.306 -8.654 -1.999
253 HD11 LEU 35 HD11 LEU 35 3.297 -7.762 -2.665
254 HD12 LEU 35 HD12 LEU 35 4.047 -9.337 -2.919
255 HD13 LEU 35 HD13 LEU 35 3.845 -8.711 -1.283
256 HD21 LEU 35 HD21 LEU 35 2.540 -10.683 -3.840
257 HD22 LEU 35 HD22 LEU 35 1.447 -9.355 -4.237
258 HD23 LEU 35 HD23 LEU 35 0.846 -10.759 -3.353
259 H ALA 36 H ALA 36 1.478 -11.633 1.669
260 HA ALA 36 HA ALA 36 1.974 -14.354 1.229
261 HB1 ALA 36 HB1 ALA 36 1.335 -13.977 3.966
262 HB2 ALA 36 HB2 ALA 36 2.927 -14.112 3.216
263 HB3 ALA 36 HB3 ALA 36 2.167 -12.530 3.397
264 H GLU 37 H GLU 37 -0.891 -12.682 2.452
265 HA GLU 37 HA GLU 37 -2.367 -14.893 3.286
266 HB2 GLU 37 HB2 GLU 37 -3.345 -12.303 2.070
267 HB3 GLU 37 HB3 GLU 37 -4.363 -13.464 2.910
268 HG2 GLU 37 HG2 GLU 37 -1.975 -12.352 4.298
269 HG3 GLU 37 HG3 GLU 37 -3.430 -11.367 4.148
270 H SER 38 H SER 38 -1.823 -13.587 0.085
271 HA SER 38 HA SER 38 -2.423 -14.288 -1.999
272 HB2 SER 38 HB2 SER 38 -2.046 -16.536 -2.444
273 HB3 SER 38 HB3 SER 38 -1.198 -16.338 -0.911
274 HG SER 38 HG SER 38 -2.565 -18.186 -0.935
275 H THR 39 H THR 39 -4.541 -13.405 -0.222
276 HA THR 39 HA THR 39 -6.822 -15.096 -0.631
277 HB THR 39 HB THR 39 -7.042 -12.184 0.058
278 HG1 THR 39 HG1 THR 39 -6.542 -12.718 2.209
279 HG21 THR 39 HG21 THR 39 -8.792 -13.189 1.617
280 HG22 THR 39 HG22 THR 39 -8.559 -14.695 0.729
281 HG23 THR 39 HG23 THR 39 -9.137 -13.256 -0.110
282 H GLU 40 H GLU 40 -5.135 -12.957 -2.598
283 HA GLU 40 HA GLU 40 -7.309 -11.851 -4.078
284 HB2 GLU 40 HB2 GLU 40 -4.799 -11.100 -3.908
285 HB3 GLU 40 HB3 GLU 40 -4.580 -12.210 -5.254
286 HG2 GLU 40 HG2 GLU 40 -6.726 -10.146 -5.382
287 HG3 GLU 40 HG3 GLU 40 -5.051 -9.692 -5.691
288 H ASP 41 H ASP 41 -8.568 -13.785 -4.432
289 HA ASP 41 HA ASP 41 -7.599 -15.318 -6.752
290 HB2 ASP 41 HB2 ASP 41 -9.255 -16.386 -4.455
291 HB3 ASP 41 HB3 ASP 41 -8.792 -17.293 -5.894
292 H VAL 42 H VAL 42 -9.193 -12.919 -6.724
293 HA VAL 42 HA VAL 42 -11.864 -13.869 -7.460
294 HB VAL 42 HB VAL 42 -11.772 -11.950 -5.942
295 HG11 VAL 42 HG11 VAL 42 -10.426 -10.190 -6.218
296 HG12 VAL 42 HG12 VAL 42 -9.624 -11.141 -7.470
297 HG13 VAL 42 HG13 VAL 42 -10.891 -9.995 -7.907
298 HG21 VAL 42 HG21 VAL 42 -13.516 -10.837 -6.912
299 HG22 VAL 42 HG22 VAL 42 -12.731 -10.748 -8.488
300 HG23 VAL 42 HG23 VAL 42 -13.463 -12.261 -7.951
301 H THR 43 H THR 43 -12.509 -14.020 -9.511
302 HA THR 43 HA THR 43 -10.744 -12.923 -11.598
303 HB THR 43 HB THR 43 -11.495 -14.663 -13.079
304 HG1 THR 43 HG1 THR 43 -13.124 -15.672 -10.976
305 HG21 THR 43 HG21 THR 43 -10.101 -15.158 -10.669
306 HG22 THR 43 HG22 THR 43 -9.990 -16.043 -12.191
307 HG23 THR 43 HG23 THR 43 -11.146 -16.547 -10.958
308 H TRP 44 H TRP 44 -13.983 -13.024 -10.361
309 HA TRP 44 HA TRP 44 -15.239 -11.918 -12.685
310 HB2 TRP 44 HB2 TRP 44 -16.330 -13.284 -10.787
311 HB3 TRP 44 HB3 TRP 44 -16.351 -11.767 -9.891
312 HD1 TRP 44 HD1 TRP 44 -17.432 -12.777 -13.495
313 HE1 TRP 44 HE1 TRP 44 -19.744 -11.735 -13.938
314 HE3 TRP 44 HE3 TRP 44 -18.137 -10.431 -9.008
315 HZ2 TRP 44 HZ2 TRP 44 -21.618 -10.129 -12.566
316 HZ3 TRP 44 HZ3 TRP 44 -20.216 -9.162 -8.654
317 HH2 TRP 44 HH2 TRP 44 -21.919 -9.015 -10.398
Start of MODEL 3
1 H1 SER 1 H SER 1 -9.028 5.322 -17.940
2 HA SER 1 HA SER 1 -7.920 6.545 -15.497
3 HB2 SER 1 HB2 SER 1 -6.921 4.357 -14.982
4 HB3 SER 1 HB3 SER 1 -8.675 4.236 -15.119
5 HG SER 1 HG SER 1 -6.688 3.359 -16.916
6 H HIS 2 H HIS 2 -6.691 8.053 -16.677
7 HA HIS 2 HA HIS 2 -4.876 7.262 -18.732
8 HB2 HIS 2 HB2 HIS 2 -5.895 9.586 -18.349
9 HB3 HIS 2 HB3 HIS 2 -4.663 9.790 -17.107
10 HD1 HIS 2 HD1 HIS 2 -4.434 8.427 -20.659
11 HD2 HIS 2 HD2 HIS 2 -2.738 11.324 -18.210
12 HE1 HIS 2 HE1 HIS 2 -2.631 9.505 -22.041
13 H MET 3 H MET 3 -2.573 7.283 -18.635
14 HA MET 3 HA MET 3 -1.519 5.940 -16.376
15 HB2 MET 3 HB2 MET 3 -0.010 7.280 -18.628
16 HB3 MET 3 HB3 MET 3 0.622 6.057 -17.532
17 HG2 MET 3 HG2 MET 3 -1.268 4.570 -18.435
18 HG3 MET 3 HG3 MET 3 -1.376 5.753 -19.737
19 HE1 MET 3 HE1 MET 3 0.728 5.323 -22.077
20 HE2 MET 3 HE2 MET 3 0.190 3.644 -22.013
21 HE3 MET 3 HE3 MET 3 -0.921 4.943 -21.577
22 H GLY 4 H GLY 4 -1.648 7.130 -14.512
23 HA2 GLY 4 HA2 GLY 4 -0.496 9.820 -14.479
24 HA3 GLY 4 HA3 GLY 4 -1.431 9.077 -13.189
25 H ALA 5 H ALA 5 -0.388 7.393 -11.916
26 HA ALA 5 HA ALA 5 2.504 7.888 -11.693
27 HB1 ALA 5 HB1 ALA 5 2.264 7.117 -9.356
28 HB2 ALA 5 HB2 ALA 5 1.287 8.540 -9.717
29 HB3 ALA 5 HB3 ALA 5 0.527 6.953 -9.617
30 H ALA 6 H ALA 6 3.712 5.976 -10.682
31 HA ALA 6 HA ALA 6 2.973 3.564 -12.187
32 HB1 ALA 6 HB1 ALA 6 5.292 2.935 -12.099
33 HB2 ALA 6 HB2 ALA 6 5.172 4.601 -12.668
34 HB3 ALA 6 HB3 ALA 6 5.653 4.270 -11.003
35 H ALA 7 H ALA 7 2.360 4.662 -9.271
36 HA ALA 7 HA ALA 7 2.819 2.061 -7.960
37 HB1 ALA 7 HB1 ALA 7 3.052 3.177 -5.843
38 HB2 ALA 7 HB2 ALA 7 4.184 3.890 -6.991
39 HB3 ALA 7 HB3 ALA 7 2.695 4.739 -6.580
40 H LEU 8 H LEU 8 1.254 1.836 -6.003
41 HA LEU 8 HA LEU 8 -1.436 2.628 -6.911
42 HB2 LEU 8 HB2 LEU 8 -2.145 0.544 -5.600
43 HB3 LEU 8 HB3 LEU 8 -1.379 0.325 -7.173
44 HG LEU 8 HG LEU 8 0.331 0.210 -4.737
45 HD11 LEU 8 HD11 LEU 8 -0.301 -2.393 -5.042
46 HD12 LEU 8 HD12 LEU 8 -1.866 -1.644 -5.362
47 HD13 LEU 8 HD13 LEU 8 -1.036 -1.333 -3.837
48 HD21 LEU 8 HD21 LEU 8 1.085 -1.796 -6.368
49 HD22 LEU 8 HD22 LEU 8 1.696 -0.145 -6.495
50 HD23 LEU 8 HD23 LEU 8 0.383 -0.684 -7.544
51 H ARG 9 H ARG 9 -2.796 3.572 -5.485
52 HA ARG 9 HA ARG 9 -1.703 4.191 -2.837
53 HB2 ARG 9 HB2 ARG 9 -2.635 5.919 -4.607
54 HB3 ARG 9 HB3 ARG 9 -4.181 5.473 -3.899
55 HG2 ARG 9 HG2 ARG 9 -3.485 7.381 -2.732
56 HG3 ARG 9 HG3 ARG 9 -3.148 6.027 -1.651
57 HD2 ARG 9 HD2 ARG 9 -1.266 7.502 -1.610
58 HD3 ARG 9 HD3 ARG 9 -0.800 6.039 -2.476
59 HE ARG 9 HE ARG 9 -0.476 7.304 -4.351
60 HH11 ARG 9 HH11 ARG 9 -2.408 9.112 -2.089
61 HH12 ARG 9 HH12 ARG 9 -2.366 10.572 -3.022
62 HH21 ARG 9 HH21 ARG 9 -0.414 9.220 -5.587
63 HH22 ARG 9 HH22 ARG 9 -1.232 10.632 -5.011
64 H SER 10 H SER 10 -3.256 1.711 -3.851
65 HA SER 10 HA SER 10 -4.841 1.425 -1.440
66 HB2 SER 10 HB2 SER 10 -6.708 0.429 -3.074
67 HB3 SER 10 HB3 SER 10 -6.695 2.126 -2.593
68 HG SER 10 HG SER 10 -6.235 2.675 -4.573
69 H CYS 11 H CYS 11 -5.869 -0.868 -1.441
70 HA CYS 11 HA CYS 11 -3.816 -2.728 -2.438
71 HB2 CYS 11 HB2 CYS 11 -4.354 -2.429 0.100
72 HB3 CYS 11 HB3 CYS 11 -5.767 -3.414 -0.263
73 HA PRO 12 HA PRO 12 -7.407 -3.814 -5.040
74 HB2 PRO 12 HB2 PRO 12 -5.894 -4.795 -7.070
75 HB3 PRO 12 HB3 PRO 12 -6.243 -3.073 -6.878
76 HG2 PRO 12 HG2 PRO 12 -3.790 -4.606 -6.106
77 HG3 PRO 12 HG3 PRO 12 -3.918 -3.018 -6.883
78 HD2 PRO 12 HD2 PRO 12 -3.420 -3.310 -4.238
79 HD3 PRO 12 HD3 PRO 12 -4.337 -1.937 -4.891
80 H MET 13 H MET 13 -4.982 -5.559 -3.454
81 HA MET 13 HA MET 13 -5.619 -8.165 -4.468
82 HB2 MET 13 HB2 MET 13 -3.953 -7.124 -2.202
83 HB3 MET 13 HB3 MET 13 -4.330 -8.839 -2.302
84 HG2 MET 13 HG2 MET 13 -3.377 -8.814 -4.621
85 HG3 MET 13 HG3 MET 13 -2.821 -7.173 -4.294
86 HE1 MET 13 HE1 MET 13 0.257 -7.520 -2.239
87 HE2 MET 13 HE2 MET 13 -0.530 -6.725 -3.601
88 HE3 MET 13 HE3 MET 13 -1.273 -6.677 -2.001
89 H CYS 14 H CYS 14 -6.673 -6.166 -1.795
90 HA CYS 14 HA CYS 14 -8.683 -8.213 -1.138
91 HB2 CYS 14 HB2 CYS 14 -8.501 -7.674 1.217
92 HB3 CYS 14 HB3 CYS 14 -6.913 -8.121 0.604
93 H GLN 15 H GLN 15 -8.359 -5.423 -2.589
94 HA GLN 15 HA GLN 15 -9.692 -3.632 -3.022
95 HB2 GLN 15 HB2 GLN 15 -11.624 -5.596 -1.846
96 HB3 GLN 15 HB3 GLN 15 -12.162 -3.964 -2.220
97 HG2 GLN 15 HG2 GLN 15 -11.332 -4.317 -4.552
98 HG3 GLN 15 HG3 GLN 15 -11.048 -6.005 -4.126
99 HE21 GLN 15 HE21 GLN 15 -12.893 -4.696 -6.060
100 HE22 GLN 15 HE22 GLN 15 -14.458 -5.319 -5.675
101 H LYS 16 H LYS 16 -8.077 -3.131 -0.978
102 HA LYS 16 HA LYS 16 -9.776 -1.849 1.061
103 HB2 LYS 16 HB2 LYS 16 -8.339 -3.511 2.067
104 HB3 LYS 16 HB3 LYS 16 -6.929 -2.845 1.252
105 HG2 LYS 16 HG2 LYS 16 -7.113 -0.805 2.558
106 HG3 LYS 16 HG3 LYS 16 -8.564 -1.427 3.348
107 HD2 LYS 16 HD2 LYS 16 -7.337 -3.147 4.434
108 HD3 LYS 16 HD3 LYS 16 -5.903 -2.836 3.452
109 HE2 LYS 16 HE2 LYS 16 -5.914 -0.504 4.487
110 HE3 LYS 16 HE3 LYS 16 -7.071 -1.150 5.650
111 HZ1 LYS 16 HZ1 LYS 16 -5.076 -1.479 6.710
112 HZ2 LYS 16 HZ2 LYS 16 -4.232 -1.830 5.286
113 HZ3 LYS 16 HZ3 LYS 16 -5.283 -2.977 5.950
114 H GLU 17 H GLU 17 -9.287 0.273 1.707
115 HA GLU 17 HA GLU 17 -7.710 1.777 -0.269
116 HB2 GLU 17 HB2 GLU 17 -10.034 2.597 1.473
117 HB3 GLU 17 HB3 GLU 17 -9.060 3.749 0.572
118 HG2 GLU 17 HG2 GLU 17 -9.689 2.683 -1.516
119 HG3 GLU 17 HG3 GLU 17 -10.627 1.480 -0.633
120 H PHE 18 H PHE 18 -5.924 2.803 0.354
121 HA PHE 18 HA PHE 18 -5.101 2.650 3.120
122 HB2 PHE 18 HB2 PHE 18 -3.706 3.735 0.666
123 HB3 PHE 18 HB3 PHE 18 -2.974 3.639 2.264
124 HD1 PHE 18 HD2 PHE 18 -3.769 1.046 3.243
125 HD2 PHE 18 HD1 PHE 18 -2.637 2.217 -0.690
126 HE1 PHE 18 HE2 PHE 18 -3.042 -1.256 2.770
127 HE2 PHE 18 HE1 PHE 18 -1.910 -0.084 -1.169
128 HZ PHE 18 HZ PHE 18 -2.111 -1.825 0.562
129 H ALA 19 H ALA 19 -5.157 4.242 4.578
130 HA ALA 19 HA ALA 19 -6.606 6.606 4.130
131 HB1 ALA 19 HB1 ALA 19 -5.167 7.170 6.374
132 HB2 ALA 19 HB2 ALA 19 -6.672 6.249 6.341
133 HB3 ALA 19 HB3 ALA 19 -5.121 5.406 6.350
134 HA PRO 20 HA PRO 20 -3.718 9.522 2.578
135 HB2 PRO 20 HB2 PRO 20 -4.382 11.778 3.934
136 HB3 PRO 20 HB3 PRO 20 -5.398 11.087 2.664
137 HG2 PRO 20 HG2 PRO 20 -5.653 10.842 5.637
138 HG3 PRO 20 HG3 PRO 20 -6.917 11.121 4.425
139 HD2 PRO 20 HD2 PRO 20 -6.454 8.685 5.512
140 HD3 PRO 20 HD3 PRO 20 -7.030 8.893 3.846
141 H ARG 21 H ARG 21 -3.920 9.208 6.075
142 HA ARG 21 HA ARG 21 -1.551 10.657 6.672
143 HB2 ARG 21 HB2 ARG 21 -1.728 9.655 8.893
144 HB3 ARG 21 HB3 ARG 21 -3.293 10.244 8.348
145 HG2 ARG 21 HG2 ARG 21 -4.103 8.079 7.966
146 HG3 ARG 21 HG3 ARG 21 -2.485 7.375 8.022
147 HD2 ARG 21 HD2 ARG 21 -2.394 7.423 10.309
148 HD3 ARG 21 HD3 ARG 21 -3.480 8.807 10.429
149 HE ARG 21 HE ARG 21 -4.209 6.070 10.539
150 HH11 ARG 21 HH11 ARG 21 -5.287 9.163 9.360
151 HH12 ARG 21 HH12 ARG 21 -6.968 8.749 9.428
152 HH21 ARG 21 HH21 ARG 21 -6.419 5.513 10.633
153 HH22 ARG 21 HH22 ARG 21 -7.611 6.673 10.153
154 H LEU 22 H LEU 22 -2.181 7.427 5.605
155 HA LEU 22 HA LEU 22 0.171 6.167 6.501
156 HB2 LEU 22 HB2 LEU 22 -1.658 5.636 4.176
157 HB3 LEU 22 HB3 LEU 22 -0.268 4.614 4.539
158 HG LEU 22 HG LEU 22 -2.545 5.105 6.455
159 HD11 LEU 22 HD11 LEU 22 -2.103 2.622 4.824
160 HD12 LEU 22 HD12 LEU 22 -3.161 3.928 4.291
161 HD13 LEU 22 HD13 LEU 22 -3.509 3.069 5.791
162 HD21 LEU 22 HD21 LEU 22 -0.924 2.686 6.681
163 HD22 LEU 22 HD22 LEU 22 -1.445 3.824 7.923
164 HD23 LEU 22 HD23 LEU 22 -0.017 4.176 6.946
165 H THR 23 H THR 23 2.085 5.631 5.354
166 HA THR 23 HA THR 23 2.795 7.608 3.286
167 HB THR 23 HB THR 23 5.206 6.980 4.045
168 HG1 THR 23 HG1 THR 23 5.010 6.570 6.459
169 HG21 THR 23 HG21 THR 23 5.206 8.773 5.649
170 HG22 THR 23 HG22 THR 23 3.473 8.589 5.919
171 HG23 THR 23 HG23 THR 23 4.066 9.176 4.365
172 H GLN 24 H GLN 24 4.858 6.740 2.038
173 HA GLN 24 HA GLN 24 3.998 4.670 0.381
174 HB2 GLN 24 HB2 GLN 24 6.205 4.737 -0.615
175 HB3 GLN 24 HB3 GLN 24 5.669 6.375 -0.261
176 HG2 GLN 24 HG2 GLN 24 7.017 6.264 1.845
177 HG3 GLN 24 HG3 GLN 24 7.673 4.735 1.263
178 HE21 GLN 24 HE21 GLN 24 9.644 6.163 1.606
179 HE22 GLN 24 HE22 GLN 24 10.196 7.043 0.226
180 H LEU 25 H LEU 25 6.006 4.613 3.255
181 HA LEU 25 HA LEU 25 6.897 1.926 2.957
182 HB2 LEU 25 HB2 LEU 25 7.748 2.120 5.163
183 HB3 LEU 25 HB3 LEU 25 7.999 3.669 4.360
184 HG LEU 25 HG LEU 25 5.697 4.224 5.582
185 HD11 LEU 25 HD11 LEU 25 5.143 2.366 6.775
186 HD12 LEU 25 HD12 LEU 25 6.149 3.184 7.970
187 HD13 LEU 25 HD13 LEU 25 6.821 1.872 7.002
188 HD21 LEU 25 HD21 LEU 25 8.536 4.427 6.434
189 HD22 LEU 25 HD22 LEU 25 7.286 4.873 7.596
190 HD23 LEU 25 HD23 LEU 25 7.377 5.697 6.039
191 H ASP 26 H ASP 26 4.101 3.439 4.422
192 HA ASP 26 HA ASP 26 3.209 1.172 5.881
193 HB2 ASP 26 HB2 ASP 26 1.921 3.727 4.971
194 HB3 ASP 26 HB3 ASP 26 0.947 2.451 5.697
195 H VAL 27 H VAL 27 2.377 2.476 2.688
196 HA VAL 27 HA VAL 27 0.362 0.690 2.002
197 HB VAL 27 HB VAL 27 2.413 1.940 0.170
198 HG11 VAL 27 HG11 VAL 27 1.452 0.839 -1.499
199 HG12 VAL 27 HG12 VAL 27 0.381 0.025 -0.357
200 HG13 VAL 27 HG13 VAL 27 -0.103 1.559 -1.082
201 HG21 VAL 27 HG21 VAL 27 0.118 3.339 -0.183
202 HG22 VAL 27 HG22 VAL 27 0.020 2.964 1.537
203 HG23 VAL 27 HG23 VAL 27 1.422 3.825 0.901
204 H ASP 28 H ASP 28 3.856 0.437 1.368
205 HA ASP 28 HA ASP 28 3.750 -2.079 0.106
206 HB2 ASP 28 HB2 ASP 28 5.870 -0.369 1.287
207 HB3 ASP 28 HB3 ASP 28 6.250 -2.078 1.097
208 H SER 29 H SER 29 3.989 -1.127 3.473
209 HA SER 29 HA SER 29 4.788 -3.521 4.627
210 HB2 SER 29 HB2 SER 29 4.228 -1.139 5.653
211 HB3 SER 29 HB3 SER 29 2.681 -1.910 6.000
212 HG SER 29 HG SER 29 3.658 -2.755 7.647
213 H HIS 30 H HIS 30 1.476 -2.392 3.972
214 HA HIS 30 HA HIS 30 0.282 -4.853 4.808
215 HB2 HIS 30 HB2 HIS 30 -0.934 -2.722 4.940
216 HB3 HIS 30 HB3 HIS 30 -0.881 -2.579 3.186
217 HD1 HIS 30 HD1 HIS 30 -3.086 -3.578 5.772
218 HD2 HIS 30 HD2 HIS 30 -2.226 -5.026 1.974
219 HE1 HIS 30 HE1 HIS 30 -5.061 -4.993 5.129
220 H LEU 31 H LEU 31 1.277 -3.465 1.738
221 HA LEU 31 HA LEU 31 0.002 -5.259 0.009
222 HB2 LEU 31 HB2 LEU 31 2.470 -3.581 -0.198
223 HB3 LEU 31 HB3 LEU 31 2.042 -4.699 -1.492
224 HG LEU 31 HG LEU 31 0.350 -2.400 -0.511
225 HD11 LEU 31 HD11 LEU 31 1.920 -2.747 -3.062
226 HD12 LEU 31 HD12 LEU 31 2.331 -1.665 -1.732
227 HD13 LEU 31 HD13 LEU 31 0.863 -1.390 -2.670
228 HD21 LEU 31 HD21 LEU 31 -0.250 -4.740 -2.113
229 HD22 LEU 31 HD22 LEU 31 -0.558 -3.239 -2.988
230 HD23 LEU 31 HD23 LEU 31 -1.335 -3.529 -1.430
231 H ALA 32 H ALA 32 2.808 -5.615 2.012
232 HA ALA 32 HA ALA 32 3.766 -7.979 0.649
233 HB1 ALA 32 HB1 ALA 32 4.681 -7.186 3.378
234 HB2 ALA 32 HB2 ALA 32 5.593 -7.908 2.051
235 HB3 ALA 32 HB3 ALA 32 5.134 -6.206 1.984
236 H GLN 33 H GLN 33 1.987 -7.204 3.598
237 HA GLN 33 HA GLN 33 1.907 -9.908 4.533
238 HB2 GLN 33 HB2 GLN 33 0.382 -7.427 5.321
239 HB3 GLN 33 HB3 GLN 33 0.148 -8.985 6.103
240 HG2 GLN 33 HG2 GLN 33 2.678 -8.925 6.521
241 HG3 GLN 33 HG3 GLN 33 2.554 -7.208 6.137
242 HE21 GLN 33 HE21 GLN 33 0.173 -6.538 7.264
243 HE22 GLN 33 HE22 GLN 33 0.254 -6.729 8.980
244 H CYS 34 H CYS 34 -0.121 -7.895 2.412
245 HA CYS 34 HA CYS 34 -2.412 -9.507 2.617
246 HB2 CYS 34 HB2 CYS 34 -2.024 -7.078 1.615
247 HB3 CYS 34 HB3 CYS 34 -1.812 -7.962 0.117
248 H LEU 35 H LEU 35 0.185 -9.232 0.193
249 HA LEU 35 HA LEU 35 -0.586 -11.389 -1.424
250 HB2 LEU 35 HB2 LEU 35 1.354 -11.041 -2.586
251 HB3 LEU 35 HB3 LEU 35 1.155 -9.481 -1.789
252 HG LEU 35 HG LEU 35 2.712 -10.646 0.026
253 HD11 LEU 35 HD11 LEU 35 4.455 -11.781 -1.733
254 HD12 LEU 35 HD12 LEU 35 2.901 -12.346 -2.348
255 HD13 LEU 35 HD13 LEU 35 3.358 -12.670 -0.676
256 HD21 LEU 35 HD21 LEU 35 3.001 -8.589 -1.587
257 HD22 LEU 35 HD22 LEU 35 4.100 -9.683 -2.428
258 HD23 LEU 35 HD23 LEU 35 4.383 -9.277 -0.734
259 H ALA 36 H ALA 36 1.181 -11.254 1.564
260 HA ALA 36 HA ALA 36 2.438 -13.778 1.438
261 HB1 ALA 36 HB1 ALA 36 2.549 -13.567 3.930
262 HB2 ALA 36 HB2 ALA 36 3.203 -12.190 3.044
263 HB3 ALA 36 HB3 ALA 36 1.605 -12.084 3.786
264 H GLU 37 H GLU 37 -0.768 -12.754 2.457
265 HA GLU 37 HA GLU 37 -1.439 -15.464 3.310
266 HB2 GLU 37 HB2 GLU 37 -3.541 -14.496 4.090
267 HB3 GLU 37 HB3 GLU 37 -2.170 -13.592 4.717
268 HG2 GLU 37 HG2 GLU 37 -2.568 -11.779 3.303
269 HG3 GLU 37 HG3 GLU 37 -3.614 -12.721 2.242
270 H SER 38 H SER 38 -1.910 -13.285 0.661
271 HA SER 38 HA SER 38 -4.208 -14.419 -0.494
272 HB2 SER 38 HB2 SER 38 -2.928 -12.226 -1.086
273 HB3 SER 38 HB3 SER 38 -1.995 -13.263 -2.164
274 HG SER 38 HG SER 38 -4.366 -12.195 -2.604
275 H THR 39 H THR 39 -1.011 -15.587 -0.229
276 HA THR 39 HA THR 39 -0.913 -17.219 -2.547
277 HB THR 39 HB THR 39 0.913 -18.425 -1.386
278 HG1 THR 39 HG1 THR 39 0.647 -16.618 0.768
279 HG21 THR 39 HG21 THR 39 1.767 -15.758 -0.694
280 HG22 THR 39 HG22 THR 39 0.864 -15.751 -2.209
281 HG23 THR 39 HG23 THR 39 2.281 -16.786 -2.031
282 H GLU 40 H GLU 40 -2.865 -18.347 -2.699
283 HA GLU 40 HA GLU 40 -3.630 -20.139 -0.541
284 HB2 GLU 40 HB2 GLU 40 -4.905 -19.803 -3.260
285 HB3 GLU 40 HB3 GLU 40 -5.601 -20.608 -1.862
286 HG2 GLU 40 HG2 GLU 40 -5.493 -18.400 -0.669
287 HG3 GLU 40 HG3 GLU 40 -5.072 -17.673 -2.219
288 H ASP 41 H ASP 41 -1.599 -21.368 -0.740
289 HA ASP 41 HA ASP 41 -1.621 -23.252 -3.000
290 HB2 ASP 41 HB2 ASP 41 0.737 -23.763 -2.265
291 HB3 ASP 41 HB3 ASP 41 0.484 -22.126 -2.864
292 H VAL 42 H VAL 42 -3.544 -23.895 -1.341
293 HA VAL 42 HA VAL 42 -2.473 -26.197 0.142
294 HB VAL 42 HB VAL 42 -4.700 -24.406 1.120
295 HG11 VAL 42 HG11 VAL 42 -4.366 -25.860 3.210
296 HG12 VAL 42 HG12 VAL 42 -5.251 -26.554 1.850
297 HG13 VAL 42 HG13 VAL 42 -3.564 -26.993 2.124
298 HG21 VAL 42 HG21 VAL 42 -1.845 -24.295 1.472
299 HG22 VAL 42 HG22 VAL 42 -3.085 -23.167 2.020
300 HG23 VAL 42 HG23 VAL 42 -2.653 -24.556 3.018
301 H THR 43 H THR 43 -3.082 -27.743 -1.295
302 HA THR 43 HA THR 43 -5.624 -27.740 -2.608
303 HB THR 43 HB THR 43 -3.753 -28.803 -3.710
304 HG1 THR 43 HG1 THR 43 -4.748 -30.931 -4.016
305 HG21 THR 43 HG21 THR 43 -2.242 -29.971 -2.564
306 HG22 THR 43 HG22 THR 43 -3.450 -31.218 -2.255
307 HG23 THR 43 HG23 THR 43 -3.251 -29.884 -1.120
308 H TRP 44 H TRP 44 -4.366 -29.064 0.352
309 HA TRP 44 HA TRP 44 -6.731 -30.735 0.735
310 HB2 TRP 44 HB2 TRP 44 -4.286 -30.394 2.486
311 HB3 TRP 44 HB3 TRP 44 -5.573 -31.571 2.730
312 HD1 TRP 44 HD1 TRP 44 -2.280 -31.180 1.085
313 HE1 TRP 44 HE1 TRP 44 -1.783 -33.204 -0.425
314 HE3 TRP 44 HE3 TRP 44 -6.935 -33.293 1.001
315 HZ2 TRP 44 HZ2 TRP 44 -3.179 -35.405 -1.510
316 HZ3 TRP 44 HZ3 TRP 44 -7.271 -35.357 -0.297
317 HH2 TRP 44 HH2 TRP 44 -5.430 -36.389 -1.526
Start of MODEL 4
1 H1 SER 1 H SER 1 14.854 -1.108 -1.010
2 HA SER 1 HA SER 1 13.805 1.177 -1.392
3 HB2 SER 1 HB2 SER 1 16.112 2.376 -1.184
4 HB3 SER 1 HB3 SER 1 15.590 1.295 0.108
5 HG SER 1 HG SER 1 17.833 1.123 -1.003
6 H HIS 2 H HIS 2 13.414 0.236 -3.877
7 HA HIS 2 HA HIS 2 15.104 1.654 -5.760
8 HB2 HIS 2 HB2 HIS 2 12.593 0.034 -6.236
9 HB3 HIS 2 HB3 HIS 2 13.687 0.633 -7.481
10 HD1 HIS 2 HD1 HIS 2 16.155 -0.431 -7.434
11 HD2 HIS 2 HD2 HIS 2 13.264 -2.396 -5.188
12 HE1 HIS 2 HE1 HIS 2 17.100 -2.716 -6.973
13 H MET 3 H MET 3 13.744 2.773 -7.616
14 HA MET 3 HA MET 3 11.427 4.220 -6.760
15 HB2 MET 3 HB2 MET 3 12.465 6.468 -6.877
16 HB3 MET 3 HB3 MET 3 13.063 5.509 -5.530
17 HG2 MET 3 HG2 MET 3 15.033 6.315 -6.286
18 HG3 MET 3 HG3 MET 3 14.929 4.872 -7.291
19 HE1 MET 3 HE1 MET 3 14.002 8.399 -6.834
20 HE2 MET 3 HE2 MET 3 15.313 9.004 -7.848
21 HE3 MET 3 HE3 MET 3 13.651 9.049 -8.436
22 H GLY 4 H GLY 4 10.829 5.931 -8.426
23 HA2 GLY 4 HA2 GLY 4 11.176 6.736 -10.701
24 HA3 GLY 4 HA3 GLY 4 11.845 5.159 -11.089
25 H ALA 5 H ALA 5 9.809 3.654 -9.697
26 HA ALA 5 HA ALA 5 7.720 3.851 -11.726
27 HB1 ALA 5 HB1 ALA 5 9.035 1.700 -10.679
28 HB2 ALA 5 HB2 ALA 5 7.515 1.674 -9.785
29 HB3 ALA 5 HB3 ALA 5 7.501 1.629 -11.548
30 H ALA 6 H ALA 6 5.572 4.179 -11.289
31 HA ALA 6 HA ALA 6 4.929 5.669 -8.957
32 HB1 ALA 6 HB1 ALA 6 2.839 4.486 -10.738
33 HB2 ALA 6 HB2 ALA 6 2.868 6.054 -9.930
34 HB3 ALA 6 HB3 ALA 6 3.894 5.768 -11.335
35 H ALA 7 H ALA 7 3.665 5.137 -7.195
36 HA ALA 7 HA ALA 7 3.405 2.258 -6.683
37 HB1 ALA 7 HB1 ALA 7 3.521 4.612 -4.807
38 HB2 ALA 7 HB2 ALA 7 3.197 2.957 -4.291
39 HB3 ALA 7 HB3 ALA 7 4.741 3.361 -5.042
40 H LEU 8 H LEU 8 1.518 1.643 -5.260
41 HA LEU 8 HA LEU 8 -0.905 2.802 -6.406
42 HB2 LEU 8 HB2 LEU 8 -0.852 0.412 -4.610
43 HB3 LEU 8 HB3 LEU 8 -1.992 0.816 -5.892
44 HG LEU 8 HG LEU 8 0.864 -0.031 -6.367
45 HD11 LEU 8 HD11 LEU 8 -1.639 -1.683 -6.649
46 HD12 LEU 8 HD12 LEU 8 -0.511 -1.803 -5.299
47 HD13 LEU 8 HD13 LEU 8 0.023 -2.201 -6.931
48 HD21 LEU 8 HD21 LEU 8 -0.950 1.261 -8.026
49 HD22 LEU 8 HD22 LEU 8 -1.052 -0.436 -8.497
50 HD23 LEU 8 HD23 LEU 8 0.505 0.394 -8.521
51 H ARG 9 H ARG 9 -2.519 3.734 -5.223
52 HA ARG 9 HA ARG 9 -1.810 4.520 -2.500
53 HB2 ARG 9 HB2 ARG 9 -3.465 5.651 -4.663
54 HB3 ARG 9 HB3 ARG 9 -4.120 5.855 -3.043
55 HG2 ARG 9 HG2 ARG 9 -2.816 7.781 -3.614
56 HG3 ARG 9 HG3 ARG 9 -1.979 6.878 -2.351
57 HD2 ARG 9 HD2 ARG 9 -0.338 6.120 -3.804
58 HD3 ARG 9 HD3 ARG 9 -1.341 6.382 -5.230
59 HE ARG 9 HE ARG 9 -0.627 8.564 -5.300
60 HH11 ARG 9 HH11 ARG 9 0.275 7.137 -2.256
61 HH12 ARG 9 HH12 ARG 9 1.286 8.463 -1.785
62 HH21 ARG 9 HH21 ARG 9 0.700 10.316 -4.692
63 HH22 ARG 9 HH22 ARG 9 1.526 10.272 -3.171
64 H SER 10 H SER 10 -3.246 1.947 -3.718
65 HA SER 10 HA SER 10 -4.891 1.545 -1.364
66 HB2 SER 10 HB2 SER 10 -6.712 0.605 -3.063
67 HB3 SER 10 HB3 SER 10 -6.711 2.294 -2.555
68 HG SER 10 HG SER 10 -5.796 2.872 -4.470
69 H CYS 11 H CYS 11 -5.863 -0.753 -1.445
70 HA CYS 11 HA CYS 11 -3.777 -2.549 -2.484
71 HB2 CYS 11 HB2 CYS 11 -4.334 -2.364 0.048
72 HB3 CYS 11 HB3 CYS 11 -5.761 -3.312 -0.360
73 HA PRO 12 HA PRO 12 -7.284 -3.596 -5.203
74 HB2 PRO 12 HB2 PRO 12 -5.710 -4.534 -7.207
75 HB3 PRO 12 HB3 PRO 12 -6.066 -2.816 -6.988
76 HG2 PRO 12 HG2 PRO 12 -3.637 -4.367 -6.176
77 HG3 PRO 12 HG3 PRO 12 -3.742 -2.761 -6.922
78 HD2 PRO 12 HD2 PRO 12 -3.322 -3.111 -4.271
79 HD3 PRO 12 HD3 PRO 12 -4.220 -1.724 -4.920
80 H MET 13 H MET 13 -4.903 -5.378 -3.587
81 HA MET 13 HA MET 13 -5.502 -7.959 -4.677
82 HB2 MET 13 HB2 MET 13 -3.420 -7.004 -3.256
83 HB3 MET 13 HB3 MET 13 -4.338 -7.760 -1.960
84 HG2 MET 13 HG2 MET 13 -4.365 -9.857 -3.315
85 HG3 MET 13 HG3 MET 13 -3.261 -9.071 -4.440
86 HE1 MET 13 HE1 MET 13 -0.355 -8.226 -1.757
87 HE2 MET 13 HE2 MET 13 -0.939 -7.844 -3.377
88 HE3 MET 13 HE3 MET 13 -1.834 -7.287 -1.962
89 H CYS 14 H CYS 14 -6.523 -6.109 -1.852
90 HA CYS 14 HA CYS 14 -8.595 -8.147 -1.362
91 HB2 CYS 14 HB2 CYS 14 -8.487 -7.655 1.008
92 HB3 CYS 14 HB3 CYS 14 -6.879 -8.083 0.431
93 H GLN 15 H GLN 15 -8.254 -5.325 -2.744
94 HA GLN 15 HA GLN 15 -9.588 -3.534 -3.177
95 HB2 GLN 15 HB2 GLN 15 -11.538 -5.535 -2.096
96 HB3 GLN 15 HB3 GLN 15 -12.075 -3.900 -2.461
97 HG2 GLN 15 HG2 GLN 15 -11.568 -4.133 -4.746
98 HG3 GLN 15 HG3 GLN 15 -10.637 -5.602 -4.468
99 HE21 GLN 15 HE21 GLN 15 -12.173 -7.185 -3.037
100 HE22 GLN 15 HE22 GLN 15 -13.666 -7.531 -3.833
101 H LYS 16 H LYS 16 -8.037 -3.064 -1.077
102 HA LYS 16 HA LYS 16 -9.802 -1.855 0.949
103 HB2 LYS 16 HB2 LYS 16 -8.353 -3.503 1.950
104 HB3 LYS 16 HB3 LYS 16 -6.941 -2.801 1.170
105 HG2 LYS 16 HG2 LYS 16 -7.255 -0.752 2.497
106 HG3 LYS 16 HG3 LYS 16 -8.620 -1.516 3.315
107 HD2 LYS 16 HD2 LYS 16 -7.050 -3.341 4.024
108 HD3 LYS 16 HD3 LYS 16 -5.728 -2.365 3.382
109 HE2 LYS 16 HE2 LYS 16 -7.626 -1.105 5.296
110 HE3 LYS 16 HE3 LYS 16 -6.435 -2.243 5.925
111 HZ1 LYS 16 HZ1 LYS 16 -4.863 -0.752 4.429
112 HZ2 LYS 16 HZ2 LYS 16 -5.216 -0.358 6.034
113 HZ3 LYS 16 HZ3 LYS 16 -6.044 0.408 4.774
114 H GLU 17 H GLU 17 -9.370 0.261 1.655
115 HA GLU 17 HA GLU 17 -7.783 1.843 -0.252
116 HB2 GLU 17 HB2 GLU 17 -10.269 2.431 1.315
117 HB3 GLU 17 HB3 GLU 17 -9.230 3.752 0.797
118 HG2 GLU 17 HG2 GLU 17 -9.442 2.900 -1.539
119 HG3 GLU 17 HG3 GLU 17 -10.644 1.753 -0.946
120 H PHE 18 H PHE 18 -6.023 2.861 0.443
121 HA PHE 18 HA PHE 18 -5.275 2.679 3.224
122 HB2 PHE 18 HB2 PHE 18 -3.840 3.892 0.853
123 HB3 PHE 18 HB3 PHE 18 -3.148 3.712 2.462
124 HD1 PHE 18 HD2 PHE 18 -4.063 1.030 3.212
125 HD2 PHE 18 HD1 PHE 18 -2.590 2.495 -0.503
126 HE1 PHE 18 HE2 PHE 18 -3.294 -1.233 2.628
127 HE2 PHE 18 HE1 PHE 18 -1.820 0.234 -1.093
128 HZ PHE 18 HZ PHE 18 -2.170 -1.634 0.474
129 H ALA 19 H ALA 19 -5.141 4.304 4.693
130 HA ALA 19 HA ALA 19 -6.737 6.619 4.295
131 HB1 ALA 19 HB1 ALA 19 -5.361 5.338 6.491
132 HB2 ALA 19 HB2 ALA 19 -5.195 7.093 6.556
133 HB3 ALA 19 HB3 ALA 19 -6.798 6.361 6.503
134 HA PRO 20 HA PRO 20 -3.907 9.627 2.813
135 HB2 PRO 20 HB2 PRO 20 -4.615 11.839 4.218
136 HB3 PRO 20 HB3 PRO 20 -5.618 11.156 2.931
137 HG2 PRO 20 HG2 PRO 20 -5.870 10.841 5.898
138 HG3 PRO 20 HG3 PRO 20 -7.138 11.122 4.691
139 HD2 PRO 20 HD2 PRO 20 -6.628 8.672 5.725
140 HD3 PRO 20 HD3 PRO 20 -7.207 8.905 4.064
141 H ARG 21 H ARG 21 -3.884 8.736 6.117
142 HA ARG 21 HA ARG 21 -1.618 10.386 6.837
143 HB2 ARG 21 HB2 ARG 21 -1.791 9.402 9.011
144 HB3 ARG 21 HB3 ARG 21 -3.423 9.751 8.458
145 HG2 ARG 21 HG2 ARG 21 -3.624 7.364 7.769
146 HG3 ARG 21 HG3 ARG 21 -2.059 7.072 8.529
147 HD2 ARG 21 HD2 ARG 21 -2.903 7.652 10.676
148 HD3 ARG 21 HD3 ARG 21 -4.401 8.276 9.986
149 HE ARG 21 HE ARG 21 -4.285 5.629 9.243
150 HH11 ARG 21 HH11 ARG 21 -4.315 7.413 12.232
151 HH12 ARG 21 HH12 ARG 21 -5.105 6.157 13.126
152 HH21 ARG 21 HH21 ARG 21 -5.325 3.967 10.408
153 HH22 ARG 21 HH22 ARG 21 -5.679 4.196 12.087
154 H LEU 22 H LEU 22 -2.213 7.191 5.635
155 HA LEU 22 HA LEU 22 0.198 5.958 6.416
156 HB2 LEU 22 HB2 LEU 22 -1.710 5.449 4.150
157 HB3 LEU 22 HB3 LEU 22 -0.280 4.455 4.421
158 HG LEU 22 HG LEU 22 -2.524 4.814 6.406
159 HD11 LEU 22 HD11 LEU 22 -1.938 2.547 4.506
160 HD12 LEU 22 HD12 LEU 22 -3.326 3.634 4.451
161 HD13 LEU 22 HD13 LEU 22 -3.138 2.513 5.799
162 HD21 LEU 22 HD21 LEU 22 0.082 4.002 6.821
163 HD22 LEU 22 HD22 LEU 22 -0.801 2.486 6.644
164 HD23 LEU 22 HD23 LEU 22 -1.298 3.658 7.866
165 H THR 23 H THR 23 2.091 5.530 5.208
166 HA THR 23 HA THR 23 2.667 7.573 3.165
167 HB THR 23 HB THR 23 5.132 6.875 3.857
168 HG1 THR 23 HG1 THR 23 3.696 6.492 6.287
169 HG21 THR 23 HG21 THR 23 3.430 8.697 5.562
170 HG22 THR 23 HG22 THR 23 4.146 9.133 4.011
171 HG23 THR 23 HG23 THR 23 5.182 8.761 5.387
172 H GLN 24 H GLN 24 4.670 6.818 1.788
173 HA GLN 24 HA GLN 24 3.828 4.789 0.099
174 HB2 GLN 24 HB2 GLN 24 6.117 4.847 -0.841
175 HB3 GLN 24 HB3 GLN 24 5.431 6.451 -0.624
176 HG2 GLN 24 HG2 GLN 24 6.699 6.274 1.693
177 HG3 GLN 24 HG3 GLN 24 7.693 5.147 0.773
178 HE21 GLN 24 HE21 GLN 24 9.482 6.492 0.846
179 HE22 GLN 24 HE22 GLN 24 9.585 7.946 -0.082
180 H LEU 25 H LEU 25 6.028 4.647 2.852
181 HA LEU 25 HA LEU 25 6.854 1.964 2.454
182 HB2 LEU 25 HB2 LEU 25 7.790 2.087 4.643
183 HB3 LEU 25 HB3 LEU 25 8.052 3.636 3.844
184 HG LEU 25 HG LEU 25 5.827 4.257 5.159
185 HD11 LEU 25 HD11 LEU 25 6.525 3.068 7.516
186 HD12 LEU 25 HD12 LEU 25 6.739 1.755 6.360
187 HD13 LEU 25 HD13 LEU 25 5.183 2.576 6.484
188 HD21 LEU 25 HD21 LEU 25 8.689 4.284 6.011
189 HD22 LEU 25 HD22 LEU 25 7.442 4.885 7.105
190 HD23 LEU 25 HD23 LEU 25 7.651 5.620 5.515
191 H ASP 26 H ASP 26 4.171 3.449 4.161
192 HA ASP 26 HA ASP 26 3.328 1.185 5.611
193 HB2 ASP 26 HB2 ASP 26 1.902 3.662 4.658
194 HB3 ASP 26 HB3 ASP 26 1.063 2.400 5.557
195 H VAL 27 H VAL 27 2.436 2.403 2.405
196 HA VAL 27 HA VAL 27 0.407 0.602 1.799
197 HB VAL 27 HB VAL 27 2.434 1.812 -0.087
198 HG11 VAL 27 HG11 VAL 27 0.396 -0.128 -0.544
199 HG12 VAL 27 HG12 VAL 27 -0.063 1.380 -1.338
200 HG13 VAL 27 HG13 VAL 27 1.489 0.624 -1.705
201 HG21 VAL 27 HG21 VAL 27 1.408 3.671 0.739
202 HG22 VAL 27 HG22 VAL 27 0.241 3.246 -0.514
203 HG23 VAL 27 HG23 VAL 27 -0.068 2.804 1.165
204 H ASP 28 H ASP 28 3.874 0.341 1.008
205 HA ASP 28 HA ASP 28 3.756 -2.205 -0.150
206 HB2 ASP 28 HB2 ASP 28 5.884 -0.461 0.949
207 HB3 ASP 28 HB3 ASP 28 6.269 -2.177 0.844
208 H SER 29 H SER 29 4.034 -1.190 3.196
209 HA SER 29 HA SER 29 4.835 -3.570 4.382
210 HB2 SER 29 HB2 SER 29 4.323 -1.166 5.374
211 HB3 SER 29 HB3 SER 29 2.767 -1.905 5.754
212 HG SER 29 HG SER 29 4.256 -3.677 6.625
213 H HIS 30 H HIS 30 1.514 -2.409 3.816
214 HA HIS 30 HA HIS 30 0.290 -4.813 4.722
215 HB2 HIS 30 HB2 HIS 30 -0.901 -2.668 4.731
216 HB3 HIS 30 HB3 HIS 30 -0.823 -2.608 2.973
217 HD1 HIS 30 HD1 HIS 30 -3.046 -3.507 5.603
218 HD2 HIS 30 HD2 HIS 30 -2.219 -5.033 1.828
219 HE1 HIS 30 HE1 HIS 30 -5.043 -4.907 4.992
220 H LEU 31 H LEU 31 1.349 -3.627 1.593
221 HA LEU 31 HA LEU 31 0.048 -5.494 -0.042
222 HB2 LEU 31 HB2 LEU 31 2.583 -3.918 -0.345
223 HB3 LEU 31 HB3 LEU 31 2.047 -5.043 -1.591
224 HG LEU 31 HG LEU 31 0.541 -2.610 -0.628
225 HD11 LEU 31 HD11 LEU 31 2.499 -3.074 -2.756
226 HD12 LEU 31 HD12 LEU 31 1.981 -1.572 -1.993
227 HD13 LEU 31 HD13 LEU 31 1.015 -2.282 -3.286
228 HD21 LEU 31 HD21 LEU 31 -0.108 -4.656 -2.746
229 HD22 LEU 31 HD22 LEU 31 -0.946 -3.116 -2.553
230 HD23 LEU 31 HD23 LEU 31 -1.015 -4.325 -1.270
231 H ALA 32 H ALA 32 2.778 -5.802 2.047
232 HA ALA 32 HA ALA 32 3.789 -8.207 0.812
233 HB1 ALA 32 HB1 ALA 32 4.509 -7.270 3.567
234 HB2 ALA 32 HB2 ALA 32 5.489 -8.164 2.406
235 HB3 ALA 32 HB3 ALA 32 5.133 -6.459 2.131
236 H GLN 33 H GLN 33 1.970 -7.381 3.744
237 HA GLN 33 HA GLN 33 1.748 -10.091 4.624
238 HB2 GLN 33 HB2 GLN 33 0.229 -7.606 5.426
239 HB3 GLN 33 HB3 GLN 33 0.080 -9.162 6.229
240 HG2 GLN 33 HG2 GLN 33 2.673 -8.945 6.476
241 HG3 GLN 33 HG3 GLN 33 2.341 -7.229 6.246
242 HE21 GLN 33 HE21 GLN 33 2.894 -9.412 8.531
243 HE22 GLN 33 HE22 GLN 33 1.966 -8.763 9.835
244 H CYS 34 H CYS 34 -0.162 -7.962 2.504
245 HA CYS 34 HA CYS 34 -2.535 -9.437 2.654
246 HB2 CYS 34 HB2 CYS 34 -2.050 -7.061 1.665
247 HB3 CYS 34 HB3 CYS 34 -1.708 -7.928 0.181
248 H LEU 35 H LEU 35 0.208 -9.426 0.390
249 HA LEU 35 HA LEU 35 -0.717 -11.640 -1.152
250 HB2 LEU 35 HB2 LEU 35 1.160 -11.355 -2.440
251 HB3 LEU 35 HB3 LEU 35 0.947 -9.741 -1.766
252 HG LEU 35 HG LEU 35 2.632 -10.705 0.054
253 HD11 LEU 35 HD11 LEU 35 2.876 -12.497 -2.291
254 HD12 LEU 35 HD12 LEU 35 3.166 -12.817 -0.581
255 HD13 LEU 35 HD13 LEU 35 4.369 -11.944 -1.531
256 HD21 LEU 35 HD21 LEU 35 4.127 -9.265 -0.844
257 HD22 LEU 35 HD22 LEU 35 2.747 -8.819 -1.847
258 HD23 LEU 35 HD23 LEU 35 3.965 -9.934 -2.468
259 H ALA 36 H ALA 36 1.224 -11.280 1.708
260 HA ALA 36 HA ALA 36 2.505 -13.802 1.663
261 HB1 ALA 36 HB1 ALA 36 1.824 -11.986 3.970
262 HB2 ALA 36 HB2 ALA 36 2.858 -13.410 4.087
263 HB3 ALA 36 HB3 ALA 36 3.344 -12.048 3.076
264 H GLU 37 H GLU 37 -0.624 -12.714 2.836
265 HA GLU 37 HA GLU 37 -1.213 -15.275 4.062
266 HB2 GLU 37 HB2 GLU 37 -3.322 -14.283 4.706
267 HB3 GLU 37 HB3 GLU 37 -2.020 -13.160 5.065
268 HG2 GLU 37 HG2 GLU 37 -2.574 -11.777 3.238
269 HG3 GLU 37 HG3 GLU 37 -3.648 -12.994 2.549
270 H SER 38 H SER 38 -1.784 -13.624 1.066
271 HA SER 38 HA SER 38 -3.503 -15.848 0.181
272 HB2 SER 38 HB2 SER 38 -4.673 -13.684 0.165
273 HB3 SER 38 HB3 SER 38 -3.417 -13.010 -0.873
274 HG SER 38 HG SER 38 -4.581 -13.737 -2.455
275 H THR 39 H THR 39 -1.081 -16.642 0.021
276 HA THR 39 HA THR 39 0.559 -15.780 -2.076
277 HB THR 39 HB THR 39 1.518 -18.124 -1.986
278 HG1 THR 39 HG1 THR 39 0.536 -19.595 -0.798
279 HG21 THR 39 HG21 THR 39 2.679 -17.713 0.007
280 HG22 THR 39 HG22 THR 39 1.290 -16.929 0.761
281 HG23 THR 39 HG23 THR 39 2.174 -16.111 -0.527
282 H GLU 40 H GLU 40 -0.314 -15.510 -4.061
283 HA GLU 40 HA GLU 40 -1.946 -17.649 -5.207
284 HB2 GLU 40 HB2 GLU 40 -1.477 -14.771 -5.889
285 HB3 GLU 40 HB3 GLU 40 -2.067 -15.868 -7.130
286 HG2 GLU 40 HG2 GLU 40 -3.907 -16.489 -5.501
287 HG3 GLU 40 HG3 GLU 40 -3.390 -15.098 -4.550
288 H ASP 41 H ASP 41 0.368 -18.747 -5.024
289 HA ASP 41 HA ASP 41 1.996 -18.186 -7.378
290 HB2 ASP 41 HB2 ASP 41 3.499 -19.952 -6.415
291 HB3 ASP 41 HB3 ASP 41 3.240 -18.565 -5.358
292 H VAL 42 H VAL 42 -0.424 -19.009 -8.199
293 HA VAL 42 HA VAL 42 -0.312 -21.885 -8.692
294 HB VAL 42 HB VAL 42 -2.424 -19.874 -9.485
295 HG11 VAL 42 HG11 VAL 42 -2.393 -22.887 -9.610
296 HG12 VAL 42 HG12 VAL 42 -3.820 -21.882 -9.878
297 HG13 VAL 42 HG13 VAL 42 -2.442 -21.770 -10.975
298 HG21 VAL 42 HG21 VAL 42 -2.222 -21.775 -7.159
299 HG22 VAL 42 HG22 VAL 42 -2.404 -20.021 -7.114
300 HG23 VAL 42 HG23 VAL 42 -3.737 -21.031 -7.672
301 H THR 43 H THR 43 1.014 -22.451 -10.297
302 HA THR 43 HA THR 43 1.232 -20.756 -12.671
303 HB THR 43 HB THR 43 3.037 -22.505 -13.283
304 HG1 THR 43 HG1 THR 43 3.185 -22.956 -10.512
305 HG21 THR 43 HG21 THR 43 4.030 -20.531 -12.765
306 HG22 THR 43 HG22 THR 43 4.517 -21.416 -11.320
307 HG23 THR 43 HG23 THR 43 3.118 -20.342 -11.267
308 H TRP 44 H TRP 44 -0.084 -23.778 -11.610
309 HA TRP 44 HA TRP 44 -1.422 -24.118 -14.147
310 HB2 TRP 44 HB2 TRP 44 -0.608 -26.326 -14.632
311 HB3 TRP 44 HB3 TRP 44 0.788 -25.268 -14.445
312 HD1 TRP 44 HD1 TRP 44 2.146 -25.501 -12.052
313 HE1 TRP 44 HE1 TRP 44 2.506 -27.578 -10.575
314 HE3 TRP 44 HE3 TRP 44 -1.608 -28.454 -13.875
315 HZ2 TRP 44 HZ2 TRP 44 1.351 -30.131 -10.229
316 HZ3 TRP 44 HZ3 TRP 44 -1.913 -30.700 -12.916
317 HH2 TRP 44 HH2 TRP 44 -0.463 -31.519 -11.132
Start of MODEL 5
1 H1 SER 1 H SER 1 14.403 11.692 -13.177
2 HA SER 1 HA SER 1 16.051 11.039 -10.825
3 HB2 SER 1 HB2 SER 1 14.534 13.513 -11.605
4 HB3 SER 1 HB3 SER 1 14.906 13.191 -9.912
5 HG SER 1 HG SER 1 16.620 13.794 -12.034
6 H HIS 2 H HIS 2 14.341 9.102 -11.313
7 HA HIS 2 HA HIS 2 12.612 9.127 -9.052
8 HB2 HIS 2 HB2 HIS 2 10.494 8.727 -10.330
9 HB3 HIS 2 HB3 HIS 2 11.116 10.368 -10.469
10 HD1 HIS 2 HD1 HIS 2 10.468 7.280 -12.450
11 HD2 HIS 2 HD2 HIS 2 12.044 11.081 -13.029
12 HE1 HIS 2 HE1 HIS 2 10.619 7.573 -14.944
13 H MET 3 H MET 3 11.999 7.074 -8.441
14 HA MET 3 HA MET 3 13.023 4.898 -10.141
15 HB2 MET 3 HB2 MET 3 13.206 3.599 -8.013
16 HB3 MET 3 HB3 MET 3 14.257 5.007 -8.087
17 HG2 MET 3 HG2 MET 3 12.902 6.224 -6.597
18 HG3 MET 3 HG3 MET 3 11.578 5.069 -6.741
19 HE1 MET 3 HE1 MET 3 11.166 3.260 -5.653
20 HE2 MET 3 HE2 MET 3 12.464 2.066 -5.600
21 HE3 MET 3 HE3 MET 3 11.860 2.780 -4.104
22 H GLY 4 H GLY 4 10.393 6.062 -10.407
23 HA2 GLY 4 HA2 GLY 4 8.836 3.766 -10.656
24 HA3 GLY 4 HA3 GLY 4 8.427 4.493 -9.109
25 H ALA 5 H ALA 5 7.747 4.444 -12.383
26 HA ALA 5 HA ALA 5 6.812 7.173 -12.595
27 HB1 ALA 5 HB1 ALA 5 7.700 6.194 -14.581
28 HB2 ALA 5 HB2 ALA 5 6.610 4.813 -14.455
29 HB3 ALA 5 HB3 ALA 5 5.966 6.414 -14.821
30 H ALA 6 H ALA 6 5.388 3.946 -12.278
31 HA ALA 6 HA ALA 6 2.794 5.229 -11.716
32 HB1 ALA 6 HB1 ALA 6 2.498 3.961 -13.673
33 HB2 ALA 6 HB2 ALA 6 3.421 2.602 -13.031
34 HB3 ALA 6 HB3 ALA 6 1.828 2.973 -12.374
35 H ALA 7 H ALA 7 1.653 4.605 -9.915
36 HA ALA 7 HA ALA 7 2.731 2.484 -8.223
37 HB1 ALA 7 HB1 ALA 7 3.753 4.771 -7.639
38 HB2 ALA 7 HB2 ALA 7 2.161 5.151 -6.981
39 HB3 ALA 7 HB3 ALA 7 3.082 3.796 -6.332
40 H LEU 8 H LEU 8 1.259 2.449 -6.108
41 HA LEU 8 HA LEU 8 -1.538 2.781 -6.967
42 HB2 LEU 8 HB2 LEU 8 -2.012 0.695 -5.640
43 HB3 LEU 8 HB3 LEU 8 -1.134 0.471 -7.151
44 HG LEU 8 HG LEU 8 0.969 0.522 -5.589
45 HD11 LEU 8 HD11 LEU 8 -1.108 0.723 -3.696
46 HD12 LEU 8 HD12 LEU 8 0.618 0.522 -3.403
47 HD13 LEU 8 HD13 LEU 8 -0.424 -0.894 -3.540
48 HD21 LEU 8 HD21 LEU 8 0.729 -1.939 -5.281
49 HD22 LEU 8 HD22 LEU 8 0.398 -1.383 -6.921
50 HD23 LEU 8 HD23 LEU 8 -0.937 -1.799 -5.846
51 H ARG 9 H ARG 9 -2.975 3.503 -5.452
52 HA ARG 9 HA ARG 9 -1.820 4.296 -2.862
53 HB2 ARG 9 HB2 ARG 9 -2.794 5.993 -4.639
54 HB3 ARG 9 HB3 ARG 9 -4.329 5.519 -3.924
55 HG2 ARG 9 HG2 ARG 9 -3.687 7.437 -2.759
56 HG3 ARG 9 HG3 ARG 9 -3.278 6.101 -1.681
57 HD2 ARG 9 HD2 ARG 9 -1.433 7.585 -1.641
58 HD3 ARG 9 HD3 ARG 9 -0.946 6.204 -2.626
59 HE ARG 9 HE ARG 9 -1.967 8.079 -4.376
60 HH11 ARG 9 HH11 ARG 9 0.644 7.885 -2.082
61 HH12 ARG 9 HH12 ARG 9 1.661 8.989 -2.949
62 HH21 ARG 9 HH21 ARG 9 -0.638 9.532 -5.526
63 HH22 ARG 9 HH22 ARG 9 0.931 9.926 -4.908
64 H SER 10 H SER 10 -3.362 1.791 -3.884
65 HA SER 10 HA SER 10 -4.900 1.468 -1.448
66 HB2 SER 10 HB2 SER 10 -6.788 0.475 -3.060
67 HB3 SER 10 HB3 SER 10 -6.782 2.166 -2.559
68 HG SER 10 HG SER 10 -6.433 1.085 -5.035
69 H CYS 11 H CYS 11 -5.910 -0.832 -1.454
70 HA CYS 11 HA CYS 11 -3.860 -2.664 -2.503
71 HB2 CYS 11 HB2 CYS 11 -4.350 -2.404 0.043
72 HB3 CYS 11 HB3 CYS 11 -5.778 -3.376 -0.304
73 HA PRO 12 HA PRO 12 -7.469 -3.756 -5.074
74 HB2 PRO 12 HB2 PRO 12 -5.972 -4.723 -7.122
75 HB3 PRO 12 HB3 PRO 12 -6.323 -3.003 -6.918
76 HG2 PRO 12 HG2 PRO 12 -3.861 -4.533 -6.175
77 HG3 PRO 12 HG3 PRO 12 -3.999 -2.941 -6.944
78 HD2 PRO 12 HD2 PRO 12 -3.477 -3.245 -4.304
79 HD3 PRO 12 HD3 PRO 12 -4.403 -1.871 -4.942
80 H MET 13 H MET 13 -5.022 -5.503 -3.521
81 HA MET 13 HA MET 13 -5.657 -8.105 -4.543
82 HB2 MET 13 HB2 MET 13 -3.916 -7.010 -2.390
83 HB3 MET 13 HB3 MET 13 -4.395 -8.699 -2.270
84 HG2 MET 13 HG2 MET 13 -3.503 -9.060 -4.553
85 HG3 MET 13 HG3 MET 13 -2.922 -7.397 -4.546
86 HE1 MET 13 HE1 MET 13 -0.420 -6.747 -3.254
87 HE2 MET 13 HE2 MET 13 -1.847 -6.584 -2.230
88 HE3 MET 13 HE3 MET 13 -0.407 -7.397 -1.614
89 H CYS 14 H CYS 14 -6.647 -6.159 -1.790
90 HA CYS 14 HA CYS 14 -8.667 -8.207 -1.158
91 HB2 CYS 14 HB2 CYS 14 -8.474 -7.673 1.199
92 HB3 CYS 14 HB3 CYS 14 -6.889 -8.116 0.573
93 H GLN 15 H GLN 15 -8.376 -5.413 -2.601
94 HA GLN 15 HA GLN 15 -9.723 -3.628 -3.016
95 HB2 GLN 15 HB2 GLN 15 -11.633 -5.609 -1.831
96 HB3 GLN 15 HB3 GLN 15 -12.184 -3.979 -2.199
97 HG2 GLN 15 HG2 GLN 15 -11.236 -4.387 -4.539
98 HG3 GLN 15 HG3 GLN 15 -11.189 -6.088 -4.077
99 HE21 GLN 15 HE21 GLN 15 -13.007 -7.258 -4.170
100 HE22 GLN 15 HE22 GLN 15 -14.565 -6.629 -4.570
101 H LYS 16 H LYS 16 -8.096 -3.125 -0.981
102 HA LYS 16 HA LYS 16 -9.787 -1.865 1.077
103 HB2 LYS 16 HB2 LYS 16 -8.326 -3.515 2.063
104 HB3 LYS 16 HB3 LYS 16 -6.930 -2.837 1.236
105 HG2 LYS 16 HG2 LYS 16 -6.973 -0.885 2.580
106 HG3 LYS 16 HG3 LYS 16 -8.551 -1.303 3.249
107 HD2 LYS 16 HD2 LYS 16 -7.642 -3.123 4.477
108 HD3 LYS 16 HD3 LYS 16 -6.103 -3.017 3.620
109 HE2 LYS 16 HE2 LYS 16 -5.717 -0.808 4.628
110 HE3 LYS 16 HE3 LYS 16 -7.239 -0.955 5.508
111 HZ1 LYS 16 HZ1 LYS 16 -6.120 -3.171 6.309
112 HZ2 LYS 16 HZ2 LYS 16 -5.790 -1.700 7.075
113 HZ3 LYS 16 HZ3 LYS 16 -4.694 -2.332 5.952
114 H GLU 17 H GLU 17 -9.312 0.258 1.728
115 HA GLU 17 HA GLU 17 -7.773 1.787 -0.258
116 HB2 GLU 17 HB2 GLU 17 -10.143 2.491 1.452
117 HB3 GLU 17 HB3 GLU 17 -9.138 3.741 0.733
118 HG2 GLU 17 HG2 GLU 17 -9.598 2.799 -1.491
119 HG3 GLU 17 HG3 GLU 17 -10.658 1.606 -0.745
120 H PHE 18 H PHE 18 -5.987 2.826 0.349
121 HA PHE 18 HA PHE 18 -5.129 2.667 3.103
122 HB2 PHE 18 HB2 PHE 18 -3.777 3.774 0.635
123 HB3 PHE 18 HB3 PHE 18 -3.022 3.683 2.225
124 HD1 PHE 18 HD2 PHE 18 -3.823 1.069 3.192
125 HD2 PHE 18 HD1 PHE 18 -2.662 2.281 -0.719
126 HE1 PHE 18 HE2 PHE 18 -3.077 -1.224 2.707
127 HE2 PHE 18 HE1 PHE 18 -1.914 -0.011 -1.211
128 HZ PHE 18 HZ PHE 18 -2.122 -1.768 0.503
129 H ALA 19 H ALA 19 -5.143 4.259 4.568
130 HA ALA 19 HA ALA 19 -6.628 6.615 4.143
131 HB1 ALA 19 HB1 ALA 19 -6.512 6.840 6.366
132 HB2 ALA 19 HB2 ALA 19 -5.734 5.256 6.340
133 HB3 ALA 19 HB3 ALA 19 -4.752 6.720 6.380
134 HA PRO 20 HA PRO 20 -3.757 9.553 2.600
135 HB2 PRO 20 HB2 PRO 20 -4.424 11.797 3.974
136 HB3 PRO 20 HB3 PRO 20 -5.442 11.111 2.703
137 HG2 PRO 20 HG2 PRO 20 -5.685 10.844 5.674
138 HG3 PRO 20 HG3 PRO 20 -6.955 11.127 4.469
139 HD2 PRO 20 HD2 PRO 20 -6.479 8.685 5.538
140 HD3 PRO 20 HD3 PRO 20 -7.062 8.902 3.876
141 H ARG 21 H ARG 21 -3.923 9.148 6.079
142 HA ARG 21 HA ARG 21 -1.564 10.625 6.686
143 HB2 ARG 21 HB2 ARG 21 -1.703 9.437 8.885
144 HB3 ARG 21 HB3 ARG 21 -3.176 10.279 8.426
145 HG2 ARG 21 HG2 ARG 21 -4.271 8.260 7.868
146 HG3 ARG 21 HG3 ARG 21 -2.765 7.343 7.944
147 HD2 ARG 21 HD2 ARG 21 -3.329 6.838 10.041
148 HD3 ARG 21 HD3 ARG 21 -2.942 8.511 10.439
149 HE ARG 21 HE ARG 21 -5.573 7.332 10.220
150 HH11 ARG 21 HH11 ARG 21 -3.695 10.263 10.299
151 HH12 ARG 21 HH12 ARG 21 -5.026 11.257 10.791
152 HH21 ARG 21 HH21 ARG 21 -7.332 8.631 10.869
153 HH22 ARG 21 HH22 ARG 21 -7.095 10.327 11.116
154 H LEU 22 H LEU 22 -2.193 7.394 5.607
155 HA LEU 22 HA LEU 22 0.159 6.127 6.473
156 HB2 LEU 22 HB2 LEU 22 -1.658 5.638 4.129
157 HB3 LEU 22 HB3 LEU 22 -0.271 4.610 4.484
158 HG LEU 22 HG LEU 22 -2.590 5.062 6.360
159 HD11 LEU 22 HD11 LEU 22 -2.020 2.602 4.727
160 HD12 LEU 22 HD12 LEU 22 -3.143 3.860 4.213
161 HD13 LEU 22 HD13 LEU 22 -3.447 2.961 5.699
162 HD21 LEU 22 HD21 LEU 22 -0.943 2.684 6.679
163 HD22 LEU 22 HD22 LEU 22 -1.480 3.861 7.878
164 HD23 LEU 22 HD23 LEU 22 -0.041 4.182 6.909
165 H THR 23 H THR 23 2.087 5.632 5.344
166 HA THR 23 HA THR 23 2.802 7.640 3.310
167 HB THR 23 HB THR 23 5.217 6.887 4.105
168 HG1 THR 23 HG1 THR 23 3.739 6.603 6.515
169 HG21 THR 23 HG21 THR 23 3.402 8.800 5.573
170 HG22 THR 23 HG22 THR 23 4.473 9.166 4.221
171 HG23 THR 23 HG23 THR 23 5.150 8.734 5.790
172 H GLN 24 H GLN 24 4.780 6.845 1.971
173 HA GLN 24 HA GLN 24 3.953 4.778 0.316
174 HB2 GLN 24 HB2 GLN 24 6.287 4.814 -0.576
175 HB3 GLN 24 HB3 GLN 24 5.532 6.400 -0.479
176 HG2 GLN 24 HG2 GLN 24 6.768 6.903 1.537
177 HG3 GLN 24 HG3 GLN 24 7.468 5.285 1.538
178 HE21 GLN 24 HE21 GLN 24 7.541 8.439 0.136
179 HE22 GLN 24 HE22 GLN 24 8.984 8.226 -0.790
180 H LEU 25 H LEU 25 6.028 4.703 3.148
181 HA LEU 25 HA LEU 25 6.922 2.022 2.793
182 HB2 LEU 25 HB2 LEU 25 7.896 2.212 4.924
183 HB3 LEU 25 HB3 LEU 25 8.025 3.807 4.187
184 HG LEU 25 HG LEU 25 5.771 4.187 5.553
185 HD11 LEU 25 HD11 LEU 25 6.806 2.888 7.816
186 HD12 LEU 25 HD12 LEU 25 6.750 1.680 6.533
187 HD13 LEU 25 HD13 LEU 25 5.289 2.561 6.979
188 HD21 LEU 25 HD21 LEU 25 7.021 5.449 7.035
189 HD22 LEU 25 HD22 LEU 25 8.114 5.294 5.659
190 HD23 LEU 25 HD23 LEU 25 8.338 4.279 7.085
191 H ASP 26 H ASP 26 4.207 3.524 4.437
192 HA ASP 26 HA ASP 26 3.361 1.254 5.894
193 HB2 ASP 26 HB2 ASP 26 1.913 3.728 4.950
194 HB3 ASP 26 HB3 ASP 26 1.123 2.478 5.909
195 H VAL 27 H VAL 27 2.515 2.493 2.689
196 HA VAL 27 HA VAL 27 0.458 0.703 2.081
197 HB VAL 27 HB VAL 27 2.454 1.953 0.190
198 HG11 VAL 27 HG11 VAL 27 0.323 0.071 -0.247
199 HG12 VAL 27 HG12 VAL 27 -0.012 1.591 -1.079
200 HG13 VAL 27 HG13 VAL 27 1.493 0.724 -1.393
201 HG21 VAL 27 HG21 VAL 27 1.414 3.750 1.222
202 HG22 VAL 27 HG22 VAL 27 0.401 3.485 -0.195
203 HG23 VAL 27 HG23 VAL 27 -0.122 2.900 1.383
204 H ASP 28 H ASP 28 3.932 0.472 1.334
205 HA ASP 28 HA ASP 28 3.834 -2.036 0.085
206 HB2 ASP 28 HB2 ASP 28 5.948 -0.333 1.280
207 HB3 ASP 28 HB3 ASP 28 6.333 -2.041 1.092
208 H SER 29 H SER 29 4.067 -1.121 3.463
209 HA SER 29 HA SER 29 4.863 -3.527 4.592
210 HB2 SER 29 HB2 SER 29 4.323 -1.165 5.652
211 HB3 SER 29 HB3 SER 29 2.755 -1.908 5.967
212 HG SER 29 HG SER 29 5.298 -2.841 6.815
213 H HIS 30 H HIS 30 1.540 -2.380 4.005
214 HA HIS 30 HA HIS 30 0.320 -4.813 4.823
215 HB2 HIS 30 HB2 HIS 30 -0.881 -2.667 4.841
216 HB3 HIS 30 HB3 HIS 30 -0.780 -2.594 3.085
217 HD1 HIS 30 HD1 HIS 30 -3.008 -3.572 5.700
218 HD2 HIS 30 HD2 HIS 30 -2.165 -4.978 1.883
219 HE1 HIS 30 HE1 HIS 30 -4.991 -4.974 5.047
220 H LEU 31 H LEU 31 1.367 -3.523 1.720
221 HA LEU 31 HA LEU 31 0.143 -5.354 0.017
222 HB2 LEU 31 HB2 LEU 31 2.707 -3.809 -0.169
223 HB3 LEU 31 HB3 LEU 31 2.190 -4.892 -1.460
224 HG LEU 31 HG LEU 31 0.659 -2.485 -0.472
225 HD11 LEU 31 HD11 LEU 31 1.351 -1.363 -2.427
226 HD12 LEU 31 HD12 LEU 31 2.046 -2.829 -3.116
227 HD13 LEU 31 HD13 LEU 31 2.814 -2.058 -1.728
228 HD21 LEU 31 HD21 LEU 31 -1.089 -3.247 -1.606
229 HD22 LEU 31 HD22 LEU 31 -0.224 -4.763 -1.859
230 HD23 LEU 31 HD23 LEU 31 -0.104 -3.469 -3.052
231 H ALA 32 H ALA 32 2.891 -5.706 2.110
232 HA ALA 32 HA ALA 32 3.874 -8.108 0.871
233 HB1 ALA 32 HB1 ALA 32 4.543 -7.267 3.666
234 HB2 ALA 32 HB2 ALA 32 5.548 -8.105 2.482
235 HB3 ALA 32 HB3 ALA 32 5.188 -6.390 2.277
236 H GLN 33 H GLN 33 2.020 -7.336 3.799
237 HA GLN 33 HA GLN 33 1.761 -10.035 4.650
238 HB2 GLN 33 HB2 GLN 33 0.234 -7.529 5.352
239 HB3 GLN 33 HB3 GLN 33 -0.086 -9.088 6.100
240 HG2 GLN 33 HG2 GLN 33 2.693 -8.027 6.118
241 HG3 GLN 33 HG3 GLN 33 1.506 -7.347 7.228
242 HE21 GLN 33 HE21 GLN 33 1.287 -8.314 9.112
243 HE22 GLN 33 HE22 GLN 33 1.776 -9.928 9.489
244 H CYS 34 H CYS 34 -0.129 -7.929 2.470
245 HA CYS 34 HA CYS 34 -2.410 -9.585 2.475
246 HB2 CYS 34 HB2 CYS 34 -2.003 -7.079 1.648
247 HB3 CYS 34 HB3 CYS 34 -1.755 -7.874 0.107
248 H LEU 35 H LEU 35 0.627 -9.444 0.751
249 HA LEU 35 HA LEU 35 -0.059 -11.301 -1.313
250 HB2 LEU 35 HB2 LEU 35 2.500 -10.096 -0.328
251 HB3 LEU 35 HB3 LEU 35 2.517 -11.398 -1.516
252 HG LEU 35 HG LEU 35 0.960 -8.874 -1.986
253 HD11 LEU 35 HD11 LEU 35 3.492 -8.952 -3.361
254 HD12 LEU 35 HD12 LEU 35 3.719 -8.940 -1.613
255 HD13 LEU 35 HD13 LEU 35 2.778 -7.666 -2.387
256 HD21 LEU 35 HD21 LEU 35 2.230 -10.860 -3.867
257 HD22 LEU 35 HD22 LEU 35 1.198 -9.499 -4.306
258 HD23 LEU 35 HD23 LEU 35 0.530 -10.856 -3.397
259 H ALA 36 H ALA 36 1.175 -11.541 1.925
260 HA ALA 36 HA ALA 36 2.257 -14.158 1.741
261 HB1 ALA 36 HB1 ALA 36 1.192 -12.749 4.185
262 HB2 ALA 36 HB2 ALA 36 2.289 -14.129 4.157
263 HB3 ALA 36 HB3 ALA 36 2.823 -12.567 3.539
264 H GLU 37 H GLU 37 -0.944 -12.896 2.493
265 HA GLU 37 HA GLU 37 -2.128 -15.215 3.487
266 HB2 GLU 37 HB2 GLU 37 -4.171 -14.146 3.212
267 HB3 GLU 37 HB3 GLU 37 -3.051 -12.795 3.309
268 HG2 GLU 37 HG2 GLU 37 -4.177 -12.103 1.494
269 HG3 GLU 37 HG3 GLU 37 -3.051 -13.171 0.660
270 H SER 38 H SER 38 -1.169 -14.392 0.281
271 HA SER 38 HA SER 38 -2.675 -16.664 -0.818
272 HB2 SER 38 HB2 SER 38 -2.756 -14.258 -1.830
273 HB3 SER 38 HB3 SER 38 -1.185 -14.681 -2.511
274 HG SER 38 HG SER 38 -2.106 -16.226 -3.723
275 H THR 39 H THR 39 -1.460 -18.442 -0.479
276 HA THR 39 HA THR 39 1.369 -18.354 -1.290
277 HB THR 39 HB THR 39 0.150 -20.553 0.361
278 HG1 THR 39 HG1 THR 39 0.332 -19.356 2.132
279 HG21 THR 39 HG21 THR 39 2.651 -20.348 1.225
280 HG22 THR 39 HG22 THR 39 2.883 -19.635 -0.372
281 HG23 THR 39 HG23 THR 39 2.242 -21.272 -0.220
282 H GLU 40 H GLU 40 -0.334 -18.500 -3.373
283 HA GLU 40 HA GLU 40 -0.364 -21.346 -4.129
284 HB2 GLU 40 HB2 GLU 40 -2.037 -19.030 -5.104
285 HB3 GLU 40 HB3 GLU 40 -2.013 -20.602 -5.891
286 HG2 GLU 40 HG2 GLU 40 -2.673 -21.562 -3.627
287 HG3 GLU 40 HG3 GLU 40 -3.026 -19.899 -3.160
288 H ASP 41 H ASP 41 2.048 -20.042 -4.270
289 HA ASP 41 HA ASP 41 2.399 -19.656 -7.171
290 HB2 ASP 41 HB2 ASP 41 2.799 -17.637 -5.623
291 HB3 ASP 41 HB3 ASP 41 4.246 -18.493 -5.096
292 H VAL 42 H VAL 42 2.435 -22.194 -6.307
293 HA VAL 42 HA VAL 42 5.297 -22.881 -6.133
294 HB VAL 42 HB VAL 42 2.940 -24.540 -5.226
295 HG11 VAL 42 HG11 VAL 42 4.327 -26.271 -5.347
296 HG12 VAL 42 HG12 VAL 42 5.662 -25.226 -5.839
297 HG13 VAL 42 HG13 VAL 42 5.335 -25.493 -4.126
298 HG21 VAL 42 HG21 VAL 42 3.336 -22.614 -3.775
299 HG22 VAL 42 HG22 VAL 42 3.764 -24.119 -2.963
300 HG23 VAL 42 HG23 VAL 42 5.030 -23.078 -3.612
301 H THR 43 H THR 43 5.927 -23.243 -8.181
302 HA THR 43 HA THR 43 4.220 -24.911 -9.899
303 HB THR 43 HB THR 43 4.712 -22.843 -10.982
304 HG1 THR 43 HG1 THR 43 5.131 -23.920 -12.746
305 HG21 THR 43 HG21 THR 43 6.565 -22.018 -9.737
306 HG22 THR 43 HG22 THR 43 7.112 -22.181 -11.406
307 HG23 THR 43 HG23 THR 43 7.573 -23.387 -10.205
308 H TRP 44 H TRP 44 7.281 -24.749 -8.290
309 HA TRP 44 HA TRP 44 8.491 -26.890 -9.785
310 HB2 TRP 44 HB2 TRP 44 9.729 -25.006 -8.588
311 HB3 TRP 44 HB3 TRP 44 9.381 -25.865 -7.090
312 HD1 TRP 44 HD1 TRP 44 10.939 -26.856 -10.520
313 HE1 TRP 44 HE1 TRP 44 12.987 -28.341 -10.047
314 HE3 TRP 44 HE3 TRP 44 10.707 -26.957 -5.414
315 HZ2 TRP 44 HZ2 TRP 44 14.327 -29.415 -7.806
316 HZ3 TRP 44 HZ3 TRP 44 12.408 -28.237 -4.181
317 HH2 TRP 44 HH2 TRP 44 14.180 -29.440 -5.354
Start of MODEL 6
1 H1 SER 1 H SER 1 -5.410 -10.876 -16.567
2 HA SER 1 HA SER 1 -5.785 -8.060 -16.186
3 HB2 SER 1 HB2 SER 1 -6.608 -8.812 -13.896
4 HB3 SER 1 HB3 SER 1 -7.476 -9.471 -15.283
5 HG SER 1 HG SER 1 -6.941 -11.375 -14.608
6 H HIS 2 H HIS 2 -3.108 -8.457 -16.554
7 HA HIS 2 HA HIS 2 -1.967 -8.114 -13.860
8 HB2 HIS 2 HB2 HIS 2 0.234 -8.645 -15.026
9 HB3 HIS 2 HB3 HIS 2 -0.901 -9.980 -14.856
10 HD1 HIS 2 HD1 HIS 2 0.929 -8.001 -17.361
11 HD2 HIS 2 HD2 HIS 2 -2.214 -10.716 -17.304
12 HE1 HIS 2 HE1 HIS 2 0.632 -8.735 -19.747
13 H MET 3 H MET 3 -3.252 -5.956 -14.943
14 HA MET 3 HA MET 3 -1.090 -4.242 -15.962
15 HB2 MET 3 HB2 MET 3 -3.136 -4.410 -17.363
16 HB3 MET 3 HB3 MET 3 -4.072 -3.748 -16.029
17 HG2 MET 3 HG2 MET 3 -3.663 -1.970 -17.519
18 HG3 MET 3 HG3 MET 3 -2.605 -1.721 -16.132
19 HE1 MET 3 HE1 MET 3 -1.947 0.026 -18.041
20 HE2 MET 3 HE2 MET 3 -0.415 -0.285 -17.225
21 HE3 MET 3 HE3 MET 3 -0.487 -0.266 -18.988
22 H GLY 4 H GLY 4 -0.124 -3.796 -13.962
23 HA2 GLY 4 HA2 GLY 4 -1.800 -2.261 -12.074
24 HA3 GLY 4 HA3 GLY 4 -0.372 -3.176 -11.613
25 H ALA 5 H ALA 5 0.833 -1.557 -10.742
26 HA ALA 5 HA ALA 5 2.125 0.233 -12.587
27 HB1 ALA 5 HB1 ALA 5 0.808 1.996 -12.266
28 HB2 ALA 5 HB2 ALA 5 -0.086 1.176 -10.986
29 HB3 ALA 5 HB3 ALA 5 1.400 2.045 -10.605
30 H ALA 6 H ALA 6 3.666 1.740 -11.270
31 HA ALA 6 HA ALA 6 5.082 0.003 -9.401
32 HB1 ALA 6 HB1 ALA 6 6.993 1.403 -9.766
33 HB2 ALA 6 HB2 ALA 6 6.270 1.027 -11.331
34 HB3 ALA 6 HB3 ALA 6 6.008 2.609 -10.597
35 H ALA 7 H ALA 7 2.671 2.030 -9.003
36 HA ALA 7 HA ALA 7 3.298 2.597 -6.279
37 HB1 ALA 7 HB1 ALA 7 4.416 4.436 -7.832
38 HB2 ALA 7 HB2 ALA 7 2.793 5.122 -7.753
39 HB3 ALA 7 HB3 ALA 7 3.702 4.836 -6.269
40 H LEU 8 H LEU 8 1.414 2.002 -5.428
41 HA LEU 8 HA LEU 8 -1.058 3.052 -6.642
42 HB2 LEU 8 HB2 LEU 8 -2.090 1.009 -5.426
43 HB3 LEU 8 HB3 LEU 8 -1.275 0.788 -6.973
44 HG LEU 8 HG LEU 8 0.758 0.064 -5.686
45 HD11 LEU 8 HD11 LEU 8 -0.262 -0.856 -3.328
46 HD12 LEU 8 HD12 LEU 8 -1.027 0.727 -3.469
47 HD13 LEU 8 HD13 LEU 8 0.730 0.590 -3.513
48 HD21 LEU 8 HD21 LEU 8 0.093 -2.090 -5.827
49 HD22 LEU 8 HD22 LEU 8 -1.322 -1.370 -6.597
50 HD23 LEU 8 HD23 LEU 8 -1.375 -1.814 -4.890
51 H ARG 9 H ARG 9 -2.711 3.741 -5.251
52 HA ARG 9 HA ARG 9 -1.766 4.459 -2.566
53 HB2 ARG 9 HB2 ARG 9 -2.695 6.133 -4.388
54 HB3 ARG 9 HB3 ARG 9 -4.251 5.608 -3.759
55 HG2 ARG 9 HG2 ARG 9 -3.725 7.546 -2.561
56 HG3 ARG 9 HG3 ARG 9 -3.358 6.215 -1.462
57 HD2 ARG 9 HD2 ARG 9 -1.471 7.493 -1.214
58 HD3 ARG 9 HD3 ARG 9 -0.965 6.422 -2.521
59 HE ARG 9 HE ARG 9 -2.116 8.668 -3.687
60 HH11 ARG 9 HH11 ARG 9 0.641 7.881 -1.711
61 HH12 ARG 9 HH12 ARG 9 1.616 9.173 -2.328
62 HH21 ARG 9 HH21 ARG 9 -0.842 10.373 -4.508
63 HH22 ARG 9 HH22 ARG 9 0.771 10.590 -3.918
64 H SER 10 H SER 10 -3.207 1.928 -3.713
65 HA SER 10 HA SER 10 -4.831 1.520 -1.347
66 HB2 SER 10 HB2 SER 10 -6.670 0.554 -2.979
67 HB3 SER 10 HB3 SER 10 -6.650 2.268 -2.563
68 HG SER 10 HG SER 10 -5.213 2.375 -4.550
69 H CYS 11 H CYS 11 -5.825 -0.802 -1.487
70 HA CYS 11 HA CYS 11 -3.709 -2.573 -2.516
71 HB2 CYS 11 HB2 CYS 11 -4.151 -2.393 0.016
72 HB3 CYS 11 HB3 CYS 11 -5.628 -3.293 -0.312
73 HA PRO 12 HA PRO 12 -7.267 -3.695 -5.135
74 HB2 PRO 12 HB2 PRO 12 -5.732 -4.644 -7.164
75 HB3 PRO 12 HB3 PRO 12 -6.099 -2.927 -6.958
76 HG2 PRO 12 HG2 PRO 12 -3.637 -4.443 -6.185
77 HG3 PRO 12 HG3 PRO 12 -3.775 -2.848 -6.948
78 HD2 PRO 12 HD2 PRO 12 -3.289 -3.160 -4.303
79 HD3 PRO 12 HD3 PRO 12 -4.216 -1.790 -4.949
80 H MET 13 H MET 13 -4.842 -5.430 -3.540
81 HA MET 13 HA MET 13 -5.425 -8.032 -4.587
82 HB2 MET 13 HB2 MET 13 -3.335 -7.041 -3.214
83 HB3 MET 13 HB3 MET 13 -4.229 -7.770 -1.886
84 HG2 MET 13 HG2 MET 13 -4.265 -9.900 -3.190
85 HG3 MET 13 HG3 MET 13 -3.180 -9.135 -4.349
86 HE1 MET 13 HE1 MET 13 -1.729 -7.284 -1.930
87 HE2 MET 13 HE2 MET 13 -0.241 -8.210 -1.729
88 HE3 MET 13 HE3 MET 13 -0.853 -7.866 -3.348
89 H CYS 14 H CYS 14 -6.447 -6.150 -1.786
90 HA CYS 14 HA CYS 14 -8.489 -8.205 -1.245
91 HB2 CYS 14 HB2 CYS 14 -8.355 -7.688 1.120
92 HB3 CYS 14 HB3 CYS 14 -6.753 -8.113 0.528
93 H GLN 15 H GLN 15 -8.163 -5.367 -2.629
94 HA GLN 15 HA GLN 15 -9.509 -3.583 -3.052
95 HB2 GLN 15 HB2 GLN 15 -11.516 -5.514 -1.901
96 HB3 GLN 15 HB3 GLN 15 -11.978 -3.933 -2.514
97 HG2 GLN 15 HG2 GLN 15 -12.300 -5.054 -4.424
98 HG3 GLN 15 HG3 GLN 15 -10.559 -4.848 -4.605
99 HE21 GLN 15 HE21 GLN 15 -13.110 -7.060 -3.737
100 HE22 GLN 15 HE22 GLN 15 -12.178 -8.506 -3.886
101 H LYS 16 H LYS 16 -7.983 -3.090 -0.954
102 HA LYS 16 HA LYS 16 -9.785 -1.875 1.037
103 HB2 LYS 16 HB2 LYS 16 -8.499 -3.541 2.155
104 HB3 LYS 16 HB3 LYS 16 -7.016 -3.024 1.363
105 HG2 LYS 16 HG2 LYS 16 -6.749 -1.209 2.740
106 HG3 LYS 16 HG3 LYS 16 -8.472 -1.099 3.108
107 HD2 LYS 16 HD2 LYS 16 -8.070 -3.429 4.236
108 HD3 LYS 16 HD3 LYS 16 -6.388 -2.894 4.272
109 HE2 LYS 16 HE2 LYS 16 -7.003 -1.986 6.243
110 HE3 LYS 16 HE3 LYS 16 -7.607 -0.686 5.217
111 HZ1 LYS 16 HZ1 LYS 16 -9.712 -2.277 5.212
112 HZ2 LYS 16 HZ2 LYS 16 -9.475 -1.090 6.393
113 HZ3 LYS 16 HZ3 LYS 16 -9.078 -2.701 6.722
114 H GLU 17 H GLU 17 -9.492 0.253 1.571
115 HA GLU 17 HA GLU 17 -7.734 1.770 -0.207
116 HB2 GLU 17 HB2 GLU 17 -10.271 2.320 1.211
117 HB3 GLU 17 HB3 GLU 17 -9.151 3.671 1.092
118 HG2 GLU 17 HG2 GLU 17 -9.273 2.462 -1.454
119 HG3 GLU 17 HG3 GLU 17 -10.928 2.637 -0.874
120 H PHE 18 H PHE 18 -6.026 2.919 0.489
121 HA PHE 18 HA PHE 18 -5.205 2.576 3.248
122 HB2 PHE 18 HB2 PHE 18 -3.822 3.791 0.852
123 HB3 PHE 18 HB3 PHE 18 -3.097 3.694 2.454
124 HD1 PHE 18 HD2 PHE 18 -3.788 1.061 3.387
125 HD2 PHE 18 HD1 PHE 18 -2.698 2.334 -0.525
126 HE1 PHE 18 HE2 PHE 18 -2.972 -1.204 2.881
127 HE2 PHE 18 HE1 PHE 18 -1.880 0.072 -1.038
128 HZ PHE 18 HZ PHE 18 -2.017 -1.702 0.666
129 H ALA 19 H ALA 19 -5.232 4.093 4.795
130 HA ALA 19 HA ALA 19 -6.797 6.379 4.606
131 HB1 ALA 19 HB1 ALA 19 -6.409 6.582 6.802
132 HB2 ALA 19 HB2 ALA 19 -5.554 5.048 6.637
133 HB3 ALA 19 HB3 ALA 19 -4.658 6.566 6.592
134 HA PRO 20 HA PRO 20 -4.355 9.542 2.795
135 HB2 PRO 20 HB2 PRO 20 -4.997 11.708 4.301
136 HB3 PRO 20 HB3 PRO 20 -6.117 10.973 3.148
137 HG2 PRO 20 HG2 PRO 20 -5.964 10.637 6.120
138 HG3 PRO 20 HG3 PRO 20 -7.392 10.848 5.090
139 HD2 PRO 20 HD2 PRO 20 -6.618 8.430 6.026
140 HD3 PRO 20 HD3 PRO 20 -7.418 8.633 4.455
141 H ARG 21 H ARG 21 -3.992 8.922 6.204
142 HA ARG 21 HA ARG 21 -1.650 10.574 6.508
143 HB2 ARG 21 HB2 ARG 21 -1.504 9.481 8.750
144 HB3 ARG 21 HB3 ARG 21 -3.043 10.271 8.438
145 HG2 ARG 21 HG2 ARG 21 -3.016 7.462 7.665
146 HG3 ARG 21 HG3 ARG 21 -2.711 7.726 9.384
147 HD2 ARG 21 HD2 ARG 21 -4.769 9.424 8.989
148 HD3 ARG 21 HD3 ARG 21 -5.149 8.187 7.792
149 HE ARG 21 HE ARG 21 -4.537 6.944 10.233
150 HH11 ARG 21 HH11 ARG 21 -7.000 8.924 8.774
151 HH12 ARG 21 HH12 ARG 21 -8.274 8.305 9.773
152 HH21 ARG 21 HH21 ARG 21 -6.204 6.121 11.555
153 HH22 ARG 21 HH22 ARG 21 -7.820 6.711 11.355
154 H LEU 22 H LEU 22 -2.350 7.305 5.615
155 HA LEU 22 HA LEU 22 0.066 6.054 6.254
156 HB2 LEU 22 HB2 LEU 22 -2.007 5.576 4.147
157 HB3 LEU 22 HB3 LEU 22 -0.540 4.602 4.201
158 HG LEU 22 HG LEU 22 -2.603 4.817 6.394
159 HD11 LEU 22 HD11 LEU 22 -3.381 3.575 4.428
160 HD12 LEU 22 HD12 LEU 22 -3.151 2.525 5.825
161 HD13 LEU 22 HD13 LEU 22 -1.957 2.539 4.527
162 HD21 LEU 22 HD21 LEU 22 0.121 4.074 6.504
163 HD22 LEU 22 HD22 LEU 22 -0.832 2.596 6.646
164 HD23 LEU 22 HD23 LEU 22 -1.102 3.933 7.767
165 H THR 23 H THR 23 1.974 5.735 5.141
166 HA THR 23 HA THR 23 2.476 7.643 2.955
167 HB THR 23 HB THR 23 4.945 7.179 3.618
168 HG1 THR 23 HG1 THR 23 5.212 6.505 5.745
169 HG21 THR 23 HG21 THR 23 3.052 8.771 5.347
170 HG22 THR 23 HG22 THR 23 3.947 9.340 3.938
171 HG23 THR 23 HG23 THR 23 4.807 8.910 5.416
172 H GLN 24 H GLN 24 4.440 6.876 1.568
173 HA GLN 24 HA GLN 24 3.638 4.681 0.062
174 HB2 GLN 24 HB2 GLN 24 5.908 4.808 -0.969
175 HB3 GLN 24 HB3 GLN 24 5.067 6.350 -0.906
176 HG2 GLN 24 HG2 GLN 24 6.367 6.934 1.112
177 HG3 GLN 24 HG3 GLN 24 7.262 5.426 0.931
178 HE21 GLN 24 HE21 GLN 24 8.719 7.630 0.985
179 HE22 GLN 24 HE22 GLN 24 9.308 8.047 -0.584
180 H LEU 25 H LEU 25 5.994 4.897 2.680
181 HA LEU 25 HA LEU 25 7.014 2.276 2.440
182 HB2 LEU 25 HB2 LEU 25 7.994 2.613 4.580
183 HB3 LEU 25 HB3 LEU 25 8.075 4.139 3.702
184 HG LEU 25 HG LEU 25 5.826 4.582 5.062
185 HD11 LEU 25 HD11 LEU 25 5.425 2.942 6.520
186 HD12 LEU 25 HD12 LEU 25 6.768 3.610 7.447
187 HD13 LEU 25 HD13 LEU 25 7.043 2.264 6.341
188 HD21 LEU 25 HD21 LEU 25 7.471 6.172 5.284
189 HD22 LEU 25 HD22 LEU 25 8.695 4.998 5.767
190 HD23 LEU 25 HD23 LEU 25 7.443 5.487 6.909
191 H ASP 26 H ASP 26 4.279 3.629 4.194
192 HA ASP 26 HA ASP 26 3.673 1.328 5.722
193 HB2 ASP 26 HB2 ASP 26 2.159 3.788 4.924
194 HB3 ASP 26 HB3 ASP 26 1.304 2.452 5.694
195 H VAL 27 H VAL 27 2.582 2.464 2.556
196 HA VAL 27 HA VAL 27 0.585 0.588 2.070
197 HB VAL 27 HB VAL 27 2.480 1.834 0.074
198 HG11 VAL 27 HG11 VAL 27 1.533 0.454 -1.397
199 HG12 VAL 27 HG12 VAL 27 0.333 -0.092 -0.224
200 HG13 VAL 27 HG13 VAL 27 0.048 1.375 -1.163
201 HG21 VAL 27 HG21 VAL 27 0.265 3.220 -0.276
202 HG22 VAL 27 HG22 VAL 27 -0.020 2.758 1.401
203 HG23 VAL 27 HG23 VAL 27 1.432 3.663 0.971
204 H ASP 28 H ASP 28 4.018 0.435 1.120
205 HA ASP 28 HA ASP 28 3.984 -2.088 -0.042
206 HB2 ASP 28 HB2 ASP 28 6.035 -0.290 1.067
207 HB3 ASP 28 HB3 ASP 28 6.480 -1.995 1.070
208 H SER 29 H SER 29 4.188 -1.157 3.334
209 HA SER 29 HA SER 29 5.003 -3.577 4.451
210 HB2 SER 29 HB2 SER 29 4.505 -1.197 5.512
211 HB3 SER 29 HB3 SER 29 2.949 -1.943 5.879
212 HG SER 29 HG SER 29 3.888 -3.259 7.266
213 H HIS 30 H HIS 30 1.697 -2.384 3.881
214 HA HIS 30 HA HIS 30 0.422 -4.755 4.767
215 HB2 HIS 30 HB2 HIS 30 -0.731 -2.581 4.672
216 HB3 HIS 30 HB3 HIS 30 -0.615 -2.598 2.915
217 HD1 HIS 30 HD1 HIS 30 -2.899 -3.369 5.540
218 HD2 HIS 30 HD2 HIS 30 -2.025 -5.040 1.837
219 HE1 HIS 30 HE1 HIS 30 -4.902 -4.768 4.943
220 H LEU 31 H LEU 31 1.499 -3.614 1.612
221 HA LEU 31 HA LEU 31 0.265 -5.522 -0.004
222 HB2 LEU 31 HB2 LEU 31 2.884 -4.070 -0.301
223 HB3 LEU 31 HB3 LEU 31 2.211 -5.106 -1.557
224 HG LEU 31 HG LEU 31 0.997 -2.559 -0.488
225 HD11 LEU 31 HD11 LEU 31 2.584 -3.270 -2.901
226 HD12 LEU 31 HD12 LEU 31 2.622 -1.811 -1.910
227 HD13 LEU 31 HD13 LEU 31 1.304 -2.066 -3.053
228 HD21 LEU 31 HD21 LEU 31 -0.003 -4.478 -2.589
229 HD22 LEU 31 HD22 LEU 31 -0.682 -2.882 -2.264
230 HD23 LEU 31 HD23 LEU 31 -0.753 -4.139 -1.027
231 H ALA 32 H ALA 32 2.946 -5.804 2.158
232 HA ALA 32 HA ALA 32 3.980 -8.234 1.008
233 HB1 ALA 32 HB1 ALA 32 5.290 -6.495 2.350
234 HB2 ALA 32 HB2 ALA 32 4.573 -7.242 3.778
235 HB3 ALA 32 HB3 ALA 32 5.593 -8.198 2.702
236 H GLN 33 H GLN 33 2.091 -7.383 3.896
237 HA GLN 33 HA GLN 33 1.799 -10.076 4.775
238 HB2 GLN 33 HB2 GLN 33 0.254 -7.576 5.477
239 HB3 GLN 33 HB3 GLN 33 0.055 -9.124 6.288
240 HG2 GLN 33 HG2 GLN 33 2.594 -8.959 6.722
241 HG3 GLN 33 HG3 GLN 33 2.381 -7.250 6.346
242 HE21 GLN 33 HE21 GLN 33 0.900 -6.027 7.647
243 HE22 GLN 33 HE22 GLN 33 0.608 -6.489 9.286
244 H CYS 34 H CYS 34 -0.016 -7.969 2.552
245 HA CYS 34 HA CYS 34 -2.364 -9.530 2.607
246 HB2 CYS 34 HB2 CYS 34 -1.917 -7.073 1.742
247 HB3 CYS 34 HB3 CYS 34 -1.596 -7.877 0.219
248 H LEU 35 H LEU 35 0.624 -9.470 0.755
249 HA LEU 35 HA LEU 35 -0.023 -11.237 -1.308
250 HB2 LEU 35 HB2 LEU 35 2.494 -10.359 0.005
251 HB3 LEU 35 HB3 LEU 35 2.560 -11.769 -1.048
252 HG LEU 35 HG LEU 35 1.563 -9.051 -1.894
253 HD11 LEU 35 HD11 LEU 35 3.819 -9.374 -3.281
254 HD12 LEU 35 HD12 LEU 35 4.267 -10.243 -1.814
255 HD13 LEU 35 HD13 LEU 35 3.764 -8.557 -1.719
256 HD21 LEU 35 HD21 LEU 35 1.075 -9.942 -3.891
257 HD22 LEU 35 HD22 LEU 35 1.041 -11.477 -3.022
258 HD23 LEU 35 HD23 LEU 35 2.498 -10.984 -3.885
259 H ALA 36 H ALA 36 1.340 -11.880 1.905
260 HA ALA 36 HA ALA 36 1.696 -14.641 1.624
261 HB1 ALA 36 HB1 ALA 36 2.491 -14.452 3.688
262 HB2 ALA 36 HB2 ALA 36 2.019 -12.752 3.657
263 HB3 ALA 36 HB3 ALA 36 0.914 -13.963 4.308
264 H GLU 37 H GLU 37 -1.114 -12.773 2.698
265 HA GLU 37 HA GLU 37 -2.715 -14.977 3.429
266 HB2 GLU 37 HB2 GLU 37 -3.357 -12.144 2.641
267 HB3 GLU 37 HB3 GLU 37 -4.621 -13.301 3.031
268 HG2 GLU 37 HG2 GLU 37 -3.293 -13.660 5.216
269 HG3 GLU 37 HG3 GLU 37 -2.529 -12.124 4.808
270 H SER 38 H SER 38 -1.985 -13.505 0.370
271 HA SER 38 HA SER 38 -4.088 -15.036 -0.971
272 HB2 SER 38 HB2 SER 38 -3.457 -13.723 -2.978
273 HB3 SER 38 HB3 SER 38 -3.901 -12.692 -1.618
274 HG SER 38 HG SER 38 -1.333 -13.243 -2.655
275 H THR 39 H THR 39 -2.962 -17.058 -0.458
276 HA THR 39 HA THR 39 -0.480 -17.556 -1.894
277 HB THR 39 HB THR 39 -2.042 -19.638 -0.387
278 HG1 THR 39 HG1 THR 39 -0.532 -17.481 0.614
279 HG21 THR 39 HG21 THR 39 0.729 -19.821 0.045
280 HG22 THR 39 HG22 THR 39 0.524 -19.481 -1.674
281 HG23 THR 39 HG23 THR 39 -0.275 -20.876 -0.949
282 H GLU 40 H GLU 40 -1.283 -17.337 -4.043
283 HA GLU 40 HA GLU 40 -3.325 -19.172 -4.965
284 HB2 GLU 40 HB2 GLU 40 -1.698 -17.004 -6.254
285 HB3 GLU 40 HB3 GLU 40 -2.595 -18.148 -7.242
286 HG2 GLU 40 HG2 GLU 40 -3.910 -16.582 -5.049
287 HG3 GLU 40 HG3 GLU 40 -3.716 -15.934 -6.678
288 H ASP 41 H ASP 41 -2.026 -21.064 -4.247
289 HA ASP 41 HA ASP 41 0.034 -21.787 -6.224
290 HB2 ASP 41 HB2 ASP 41 -0.400 -22.678 -3.375
291 HB3 ASP 41 HB3 ASP 41 0.655 -23.551 -4.483
292 H VAL 42 H VAL 42 -2.595 -21.994 -7.011
293 HA VAL 42 HA VAL 42 -2.933 -24.914 -7.142
294 HB VAL 42 HB VAL 42 -4.645 -24.104 -5.632
295 HG11 VAL 42 HG11 VAL 42 -6.222 -22.532 -7.453
296 HG12 VAL 42 HG12 VAL 42 -5.628 -22.122 -5.842
297 HG13 VAL 42 HG13 VAL 42 -4.618 -21.827 -7.257
298 HG21 VAL 42 HG21 VAL 42 -6.094 -24.541 -8.214
299 HG22 VAL 42 HG22 VAL 42 -5.109 -25.824 -7.511
300 HG23 VAL 42 HG23 VAL 42 -6.468 -25.159 -6.606
301 H THR 43 H THR 43 -2.908 -25.640 -9.157
302 HA THR 43 HA THR 43 -3.237 -23.742 -11.356
303 HB THR 43 HB THR 43 -1.226 -25.057 -11.489
304 HG1 THR 43 HG1 THR 43 -1.523 -25.854 -13.555
305 HG21 THR 43 HG21 THR 43 -1.365 -27.543 -11.740
306 HG22 THR 43 HG22 THR 43 -3.058 -27.443 -11.257
307 HG23 THR 43 HG23 THR 43 -1.790 -26.954 -10.134
308 H TRP 44 H TRP 44 -4.743 -26.523 -9.912
309 HA TRP 44 HA TRP 44 -6.616 -26.775 -12.147
310 HB2 TRP 44 HB2 TRP 44 -6.379 -28.484 -9.661
311 HB3 TRP 44 HB3 TRP 44 -7.355 -28.833 -11.086
312 HD1 TRP 44 HD1 TRP 44 -4.381 -30.069 -9.631
313 HE1 TRP 44 HE1 TRP 44 -2.710 -30.975 -11.366
314 HE3 TRP 44 HE3 TRP 44 -6.322 -27.904 -13.835
315 HZ2 TRP 44 HZ2 TRP 44 -2.272 -30.794 -14.149
316 HZ3 TRP 44 HZ3 TRP 44 -5.217 -28.319 -15.994
317 HH2 TRP 44 HH2 TRP 44 -3.234 -29.735 -16.145
Start of MODEL 7
1 H1 SER 1 H SER 1 -1.914 17.137 -10.763
2 HA SER 1 HA SER 1 -1.676 14.699 -12.090
3 HB2 SER 1 HB2 SER 1 -0.513 17.416 -12.712
4 HB3 SER 1 HB3 SER 1 -0.378 16.043 -13.809
5 HG SER 1 HG SER 1 -2.312 17.689 -13.802
6 H HIS 2 H HIS 2 -0.391 13.192 -11.120
7 HA HIS 2 HA HIS 2 2.473 13.854 -10.892
8 HB2 HIS 2 HB2 HIS 2 1.016 13.185 -8.791
9 HB3 HIS 2 HB3 HIS 2 1.284 11.553 -9.398
10 HD1 HIS 2 HD1 HIS 2 2.850 14.199 -7.438
11 HD2 HIS 2 HD2 HIS 2 4.111 10.852 -9.554
12 HE1 HIS 2 HE1 HIS 2 5.188 13.733 -6.631
13 H MET 3 H MET 3 3.202 13.184 -12.860
14 HA MET 3 HA MET 3 2.622 10.406 -13.639
15 HB2 MET 3 HB2 MET 3 3.502 12.772 -15.298
16 HB3 MET 3 HB3 MET 3 3.402 11.128 -15.914
17 HG2 MET 3 HG2 MET 3 1.059 12.567 -14.706
18 HG3 MET 3 HG3 MET 3 1.452 12.633 -16.423
19 HE1 MET 3 HE1 MET 3 0.437 9.770 -13.524
20 HE2 MET 3 HE2 MET 3 -0.420 11.285 -13.809
21 HE3 MET 3 HE3 MET 3 -1.119 9.760 -14.355
22 H GLY 4 H GLY 4 4.277 8.987 -14.071
23 HA2 GLY 4 HA2 GLY 4 6.924 9.456 -14.561
24 HA3 GLY 4 HA3 GLY 4 6.794 9.562 -12.812
25 H ALA 5 H ALA 5 6.560 7.721 -11.610
26 HA ALA 5 HA ALA 5 6.898 5.207 -13.084
27 HB1 ALA 5 HB1 ALA 5 8.574 4.976 -11.632
28 HB2 ALA 5 HB2 ALA 5 7.966 6.268 -10.596
29 HB3 ALA 5 HB3 ALA 5 7.333 4.630 -10.426
30 H ALA 6 H ALA 6 5.513 3.515 -12.868
31 HA ALA 6 HA ALA 6 2.853 3.970 -12.158
32 HB1 ALA 6 HB1 ALA 6 2.446 1.774 -12.734
33 HB2 ALA 6 HB2 ALA 6 3.937 2.108 -13.618
34 HB3 ALA 6 HB3 ALA 6 3.994 1.210 -12.102
35 H ALA 7 H ALA 7 1.946 4.205 -10.232
36 HA ALA 7 HA ALA 7 2.938 2.612 -7.978
37 HB1 ALA 7 HB1 ALA 7 2.642 5.594 -8.059
38 HB2 ALA 7 HB2 ALA 7 2.538 4.703 -6.540
39 HB3 ALA 7 HB3 ALA 7 4.011 4.627 -7.507
40 H LEU 8 H LEU 8 1.385 2.660 -6.113
41 HA LEU 8 HA LEU 8 -1.391 2.994 -7.030
42 HB2 LEU 8 HB2 LEU 8 -1.800 0.961 -5.449
43 HB3 LEU 8 HB3 LEU 8 -1.259 0.711 -7.108
44 HG LEU 8 HG LEU 8 1.019 0.340 -6.325
45 HD11 LEU 8 HD11 LEU 8 1.213 1.702 -4.420
46 HD12 LEU 8 HD12 LEU 8 1.326 0.045 -3.822
47 HD13 LEU 8 HD13 LEU 8 -0.178 0.949 -3.638
48 HD21 LEU 8 HD21 LEU 8 -0.359 -1.605 -6.519
49 HD22 LEU 8 HD22 LEU 8 -1.101 -1.302 -4.947
50 HD23 LEU 8 HD23 LEU 8 0.600 -1.761 -5.047
51 H ARG 9 H ARG 9 -2.959 3.295 -5.319
52 HA ARG 9 HA ARG 9 -1.773 4.336 -2.831
53 HB2 ARG 9 HB2 ARG 9 -2.838 5.949 -4.693
54 HB3 ARG 9 HB3 ARG 9 -4.305 5.534 -3.815
55 HG2 ARG 9 HG2 ARG 9 -3.383 7.581 -2.947
56 HG3 ARG 9 HG3 ARG 9 -3.249 6.307 -1.732
57 HD2 ARG 9 HD2 ARG 9 -1.051 6.600 -1.626
58 HD3 ARG 9 HD3 ARG 9 -0.903 6.293 -3.356
59 HE ARG 9 HE ARG 9 -0.915 8.860 -2.035
60 HH11 ARG 9 HH11 ARG 9 -1.343 7.139 -5.031
61 HH12 ARG 9 HH12 ARG 9 -1.010 8.521 -6.022
62 HH21 ARG 9 HH21 ARG 9 -0.474 10.685 -3.330
63 HH22 ARG 9 HH22 ARG 9 -0.514 10.537 -5.054
64 H SER 10 H SER 10 -3.329 1.818 -3.854
65 HA SER 10 HA SER 10 -4.842 1.498 -1.401
66 HB2 SER 10 HB2 SER 10 -6.747 0.506 -2.992
67 HB3 SER 10 HB3 SER 10 -6.731 2.199 -2.498
68 HG SER 10 HG SER 10 -5.826 1.090 -4.944
69 H CYS 11 H CYS 11 -5.878 -0.806 -1.427
70 HA CYS 11 HA CYS 11 -3.822 -2.640 -2.460
71 HB2 CYS 11 HB2 CYS 11 -4.362 -2.387 0.081
72 HB3 CYS 11 HB3 CYS 11 -5.772 -3.372 -0.299
73 HA PRO 12 HA PRO 12 -7.394 -3.705 -5.091
74 HB2 PRO 12 HB2 PRO 12 -5.869 -4.673 -7.118
75 HB3 PRO 12 HB3 PRO 12 -6.216 -2.952 -6.914
76 HG2 PRO 12 HG2 PRO 12 -3.772 -4.498 -6.137
77 HG3 PRO 12 HG3 PRO 12 -3.891 -2.902 -6.902
78 HD2 PRO 12 HD2 PRO 12 -3.411 -3.219 -4.255
79 HD3 PRO 12 HD3 PRO 12 -4.321 -1.838 -4.903
80 H MET 13 H MET 13 -4.986 -5.470 -3.502
81 HA MET 13 HA MET 13 -5.621 -8.065 -4.544
82 HB2 MET 13 HB2 MET 13 -3.945 -7.024 -2.297
83 HB3 MET 13 HB3 MET 13 -4.369 -8.730 -2.327
84 HG2 MET 13 HG2 MET 13 -2.410 -8.824 -3.454
85 HG3 MET 13 HG3 MET 13 -3.498 -8.535 -4.811
86 HE1 MET 13 HE1 MET 13 -1.235 -6.254 -2.164
87 HE2 MET 13 HE2 MET 13 -0.563 -7.692 -2.929
88 HE3 MET 13 HE3 MET 13 -0.024 -6.091 -3.435
89 H CYS 14 H CYS 14 -6.572 -6.160 -1.736
90 HA CYS 14 HA CYS 14 -8.628 -8.189 -1.150
91 HB2 CYS 14 HB2 CYS 14 -8.454 -7.657 1.207
92 HB3 CYS 14 HB3 CYS 14 -6.863 -8.096 0.596
93 H GLN 15 H GLN 15 -8.320 -5.392 -2.590
94 HA GLN 15 HA GLN 15 -9.663 -3.608 -3.020
95 HB2 GLN 15 HB2 GLN 15 -11.585 -5.586 -1.849
96 HB3 GLN 15 HB3 GLN 15 -12.130 -3.957 -2.226
97 HG2 GLN 15 HG2 GLN 15 -11.030 -4.461 -4.549
98 HG3 GLN 15 HG3 GLN 15 -11.261 -6.137 -4.051
99 HE21 GLN 15 HE21 GLN 15 -13.065 -3.078 -4.083
100 HE22 GLN 15 HE22 GLN 15 -14.553 -3.765 -4.627
101 H LYS 16 H LYS 16 -8.053 -3.109 -0.969
102 HA LYS 16 HA LYS 16 -9.759 -1.854 1.080
103 HB2 LYS 16 HB2 LYS 16 -8.290 -3.488 2.076
104 HB3 LYS 16 HB3 LYS 16 -6.898 -2.811 1.241
105 HG2 LYS 16 HG2 LYS 16 -7.168 -0.730 2.533
106 HG3 LYS 16 HG3 LYS 16 -8.507 -1.477 3.409
107 HD2 LYS 16 HD2 LYS 16 -6.902 -3.298 4.083
108 HD3 LYS 16 HD3 LYS 16 -5.609 -2.303 3.410
109 HE2 LYS 16 HE2 LYS 16 -5.537 -1.635 5.597
110 HE3 LYS 16 HE3 LYS 16 -6.678 -0.457 4.950
111 HZ1 LYS 16 HZ1 LYS 16 -7.342 -2.935 6.445
112 HZ2 LYS 16 HZ2 LYS 16 -8.488 -1.930 5.713
113 HZ3 LYS 16 HZ3 LYS 16 -7.536 -1.343 6.983
114 H GLU 17 H GLU 17 -9.324 0.275 1.716
115 HA GLU 17 HA GLU 17 -7.778 1.816 -0.257
116 HB2 GLU 17 HB2 GLU 17 -10.259 2.376 1.298
117 HB3 GLU 17 HB3 GLU 17 -9.210 3.730 0.904
118 HG2 GLU 17 HG2 GLU 17 -9.338 3.024 -1.491
119 HG3 GLU 17 HG3 GLU 17 -10.561 1.848 -1.012
120 H PHE 18 H PHE 18 -5.994 2.837 0.367
121 HA PHE 18 HA PHE 18 -5.183 2.721 3.138
122 HB2 PHE 18 HB2 PHE 18 -3.784 3.794 0.680
123 HB3 PHE 18 HB3 PHE 18 -3.058 3.713 2.282
124 HD1 PHE 18 HD2 PHE 18 -3.931 1.101 3.242
125 HD2 PHE 18 HD1 PHE 18 -2.612 2.292 -0.626
126 HE1 PHE 18 HE2 PHE 18 -3.189 -1.200 2.789
127 HE2 PHE 18 HE1 PHE 18 -1.868 -0.007 -1.085
128 HZ PHE 18 HZ PHE 18 -2.157 -1.758 0.624
129 H ALA 19 H ALA 19 -5.266 4.325 4.580
130 HA ALA 19 HA ALA 19 -6.727 6.674 4.102
131 HB1 ALA 19 HB1 ALA 19 -5.806 5.353 6.328
132 HB2 ALA 19 HB2 ALA 19 -4.888 6.860 6.352
133 HB3 ALA 19 HB3 ALA 19 -6.650 6.902 6.321
134 HA PRO 20 HA PRO 20 -3.854 9.593 2.527
135 HB2 PRO 20 HB2 PRO 20 -4.548 11.861 3.849
136 HB3 PRO 20 HB3 PRO 20 -5.549 11.144 2.581
137 HG2 PRO 20 HG2 PRO 20 -5.823 10.935 5.554
138 HG3 PRO 20 HG3 PRO 20 -7.081 11.188 4.329
139 HD2 PRO 20 HD2 PRO 20 -6.604 8.769 5.453
140 HD3 PRO 20 HD3 PRO 20 -7.170 8.950 3.780
141 H ARG 21 H ARG 21 -3.956 9.005 5.939
142 HA ARG 21 HA ARG 21 -1.635 10.587 6.569
143 HB2 ARG 21 HB2 ARG 21 -2.684 8.383 8.314
144 HB3 ARG 21 HB3 ARG 21 -1.936 9.905 8.781
145 HG2 ARG 21 HG2 ARG 21 -4.039 10.982 7.723
146 HG3 ARG 21 HG3 ARG 21 -4.737 9.371 7.896
147 HD2 ARG 21 HD2 ARG 21 -5.309 10.644 9.839
148 HD3 ARG 21 HD3 ARG 21 -4.114 9.435 10.307
149 HE ARG 21 HE ARG 21 -2.720 11.749 9.683
150 HH11 ARG 21 HH11 ARG 21 -5.093 10.709 12.007
151 HH12 ARG 21 HH12 ARG 21 -4.562 11.808 13.237
152 HH21 ARG 21 HH21 ARG 21 -2.011 13.200 11.293
153 HH22 ARG 21 HH22 ARG 21 -2.808 13.225 12.829
154 H LEU 22 H LEU 22 -2.297 7.299 5.634
155 HA LEU 22 HA LEU 22 -0.016 5.991 6.507
156 HB2 LEU 22 HB2 LEU 22 -1.741 5.639 4.080
157 HB3 LEU 22 HB3 LEU 22 -0.345 4.603 4.368
158 HG LEU 22 HG LEU 22 -2.740 4.879 6.184
159 HD11 LEU 22 HD11 LEU 22 -3.078 2.477 5.490
160 HD12 LEU 22 HD12 LEU 22 -1.918 2.778 4.197
161 HD13 LEU 22 HD13 LEU 22 -3.425 3.692 4.260
162 HD21 LEU 22 HD21 LEU 22 -1.170 2.568 6.691
163 HD22 LEU 22 HD22 LEU 22 -1.511 3.924 7.765
164 HD23 LEU 22 HD23 LEU 22 -0.102 3.971 6.703
165 H THR 23 H THR 23 1.910 5.355 5.330
166 HA THR 23 HA THR 23 2.838 7.462 3.487
167 HB THR 23 HB THR 23 5.174 6.706 4.358
168 HG1 THR 23 HG1 THR 23 3.586 6.029 6.621
169 HG21 THR 23 HG21 THR 23 3.977 8.910 4.749
170 HG22 THR 23 HG22 THR 23 5.164 8.445 5.967
171 HG23 THR 23 HG23 THR 23 3.443 8.238 6.288
172 H GLN 24 H GLN 24 4.684 6.735 2.075
173 HA GLN 24 HA GLN 24 3.919 4.689 0.392
174 HB2 GLN 24 HB2 GLN 24 5.498 6.374 -0.317
175 HB3 GLN 24 HB3 GLN 24 6.676 5.827 0.870
176 HG2 GLN 24 HG2 GLN 24 7.314 5.044 -1.304
177 HG3 GLN 24 HG3 GLN 24 6.823 3.672 -0.311
178 HE21 GLN 24 HE21 GLN 24 4.765 2.721 -0.698
179 HE22 GLN 24 HE22 GLN 24 4.014 2.853 -2.247
180 H LEU 25 H LEU 25 5.915 4.552 3.265
181 HA LEU 25 HA LEU 25 6.868 1.896 2.838
182 HB2 LEU 25 HB2 LEU 25 7.775 2.027 5.016
183 HB3 LEU 25 HB3 LEU 25 7.943 3.628 4.298
184 HG LEU 25 HG LEU 25 5.650 4.013 5.604
185 HD11 LEU 25 HD11 LEU 25 6.584 2.720 7.894
186 HD12 LEU 25 HD12 LEU 25 6.633 1.505 6.617
187 HD13 LEU 25 HD13 LEU 25 5.126 2.349 6.974
188 HD21 LEU 25 HD21 LEU 25 7.999 5.105 5.776
189 HD22 LEU 25 HD22 LEU 25 8.178 4.085 7.203
190 HD23 LEU 25 HD23 LEU 25 6.868 5.264 7.120
191 H ASP 26 H ASP 26 4.098 3.310 4.464
192 HA ASP 26 HA ASP 26 3.254 1.007 5.858
193 HB2 ASP 26 HB2 ASP 26 1.783 3.457 4.890
194 HB3 ASP 26 HB3 ASP 26 0.985 2.177 5.801
195 H VAL 27 H VAL 27 2.378 2.293 2.668
196 HA VAL 27 HA VAL 27 0.420 0.451 1.973
197 HB VAL 27 HB VAL 27 2.447 1.753 0.148
198 HG11 VAL 27 HG11 VAL 27 1.527 0.612 -1.517
199 HG12 VAL 27 HG12 VAL 27 0.453 -0.209 -0.383
200 HG13 VAL 27 HG13 VAL 27 -0.043 1.312 -1.125
201 HG21 VAL 27 HG21 VAL 27 1.357 3.534 1.135
202 HG22 VAL 27 HG22 VAL 27 0.348 3.234 -0.280
203 HG23 VAL 27 HG23 VAL 27 -0.160 2.649 1.304
204 H ASP 28 H ASP 28 3.906 0.306 1.235
205 HA ASP 28 HA ASP 28 3.885 -2.205 0.004
206 HB2 ASP 28 HB2 ASP 28 5.777 -0.332 0.356
207 HB3 ASP 28 HB3 ASP 28 6.274 -1.467 1.607
208 H SER 29 H SER 29 4.133 -1.292 3.393
209 HA SER 29 HA SER 29 4.920 -3.723 4.489
210 HB2 SER 29 HB2 SER 29 4.460 -1.355 5.573
211 HB3 SER 29 HB3 SER 29 2.886 -2.066 5.926
212 HG SER 29 HG SER 29 4.215 -3.885 6.803
213 H HIS 30 H HIS 30 1.611 -2.500 3.988
214 HA HIS 30 HA HIS 30 0.370 -4.927 4.812
215 HB2 HIS 30 HB2 HIS 30 -0.803 -2.784 4.946
216 HB3 HIS 30 HB3 HIS 30 -0.734 -2.619 3.195
217 HD1 HIS 30 HD1 HIS 30 -2.958 -3.642 5.777
218 HD2 HIS 30 HD2 HIS 30 -2.163 -4.960 1.918
219 HE1 HIS 30 HE1 HIS 30 -4.974 -4.981 5.095
220 H LEU 31 H LEU 31 1.348 -3.586 1.712
221 HA LEU 31 HA LEU 31 0.017 -5.391 0.032
222 HB2 LEU 31 HB2 LEU 31 2.531 -3.781 -0.278
223 HB3 LEU 31 HB3 LEU 31 1.950 -4.842 -1.560
224 HG LEU 31 HG LEU 31 0.347 -2.566 -0.404
225 HD11 LEU 31 HD11 LEU 31 2.411 -1.773 -1.503
226 HD12 LEU 31 HD12 LEU 31 0.947 -1.296 -2.361
227 HD13 LEU 31 HD13 LEU 31 1.929 -2.628 -2.969
228 HD21 LEU 31 HD21 LEU 31 -0.925 -4.407 -1.458
229 HD22 LEU 31 HD22 LEU 31 -0.007 -4.154 -2.943
230 HD23 LEU 31 HD23 LEU 31 -1.065 -2.882 -2.333
231 H ALA 32 H ALA 32 2.809 -5.765 2.024
232 HA ALA 32 HA ALA 32 3.802 -8.101 0.647
233 HB1 ALA 32 HB1 ALA 32 4.627 -7.331 3.416
234 HB2 ALA 32 HB2 ALA 32 5.577 -8.076 2.131
235 HB3 ALA 32 HB3 ALA 32 5.146 -6.370 2.032
236 H GLN 33 H GLN 33 2.095 -7.421 3.684
237 HA GLN 33 HA GLN 33 1.928 -10.164 4.456
238 HB2 GLN 33 HB2 GLN 33 0.506 -7.681 5.407
239 HB3 GLN 33 HB3 GLN 33 0.214 -9.270 6.100
240 HG2 GLN 33 HG2 GLN 33 2.799 -9.298 6.415
241 HG3 GLN 33 HG3 GLN 33 2.640 -7.549 6.264
242 HE21 GLN 33 HE21 GLN 33 3.505 -9.022 8.561
243 HE22 GLN 33 HE22 GLN 33 2.389 -8.681 9.834
244 H CYS 34 H CYS 34 -0.079 -7.982 2.486
245 HA CYS 34 HA CYS 34 -2.425 -9.499 2.655
246 HB2 CYS 34 HB2 CYS 34 -2.006 -7.076 1.748
247 HB3 CYS 34 HB3 CYS 34 -1.706 -7.879 0.219
248 H LEU 35 H LEU 35 0.159 -9.297 0.209
249 HA LEU 35 HA LEU 35 -0.758 -11.452 -1.379
250 HB2 LEU 35 HB2 LEU 35 1.102 -11.108 -2.682
251 HB3 LEU 35 HB3 LEU 35 0.897 -9.530 -1.926
252 HG LEU 35 HG LEU 35 2.612 -10.572 -0.182
253 HD11 LEU 35 HD11 LEU 35 2.633 -12.426 -2.397
254 HD12 LEU 35 HD12 LEU 35 3.419 -12.540 -0.823
255 HD13 LEU 35 HD13 LEU 35 4.220 -11.697 -2.147
256 HD21 LEU 35 HD21 LEU 35 3.897 -9.694 -2.697
257 HD22 LEU 35 HD22 LEU 35 4.105 -9.105 -1.047
258 HD23 LEU 35 HD23 LEU 35 2.702 -8.605 -1.993
259 H ALA 36 H ALA 36 1.242 -11.258 1.457
260 HA ALA 36 HA ALA 36 2.395 -13.865 1.209
261 HB1 ALA 36 HB1 ALA 36 2.282 -11.803 3.367
262 HB2 ALA 36 HB2 ALA 36 2.831 -13.438 3.740
263 HB3 ALA 36 HB3 ALA 36 3.680 -12.476 2.529
264 H GLU 37 H GLU 37 -0.488 -12.532 2.689
265 HA GLU 37 HA GLU 37 -1.198 -15.214 3.675
266 HB2 GLU 37 HB2 GLU 37 -2.081 -12.467 4.551
267 HB3 GLU 37 HB3 GLU 37 -2.917 -13.932 5.048
268 HG2 GLU 37 HG2 GLU 37 -0.663 -14.731 5.916
269 HG3 GLU 37 HG3 GLU 37 -0.123 -13.067 5.703
270 H SER 38 H SER 38 -1.468 -14.218 0.914
271 HA SER 38 HA SER 38 -4.324 -13.861 0.545
272 HB2 SER 38 HB2 SER 38 -3.748 -13.706 -1.864
273 HB3 SER 38 HB3 SER 38 -2.815 -12.579 -0.878
274 HG SER 38 HG SER 38 -1.184 -13.472 -1.867
275 H THR 39 H THR 39 -4.093 -16.194 1.765
276 HA THR 39 HA THR 39 -4.136 -18.276 -0.307
277 HB THR 39 HB THR 39 -4.241 -19.810 1.786
278 HG1 THR 39 HG1 THR 39 -3.864 -18.886 3.671
279 HG21 THR 39 HG21 THR 39 -2.239 -20.144 0.815
280 HG22 THR 39 HG22 THR 39 -1.620 -19.104 2.098
281 HG23 THR 39 HG23 THR 39 -1.991 -18.424 0.514
282 H GLU 40 H GLU 40 -6.102 -16.589 2.001
283 HA GLU 40 HA GLU 40 -8.314 -18.459 1.716
284 HB2 GLU 40 HB2 GLU 40 -8.056 -15.887 3.282
285 HB3 GLU 40 HB3 GLU 40 -9.483 -16.914 3.283
286 HG2 GLU 40 HG2 GLU 40 -7.844 -18.770 4.034
287 HG3 GLU 40 HG3 GLU 40 -6.789 -17.425 4.462
288 H ASP 41 H ASP 41 -7.991 -17.749 -0.720
289 HA ASP 41 HA ASP 41 -9.514 -15.332 -1.327
290 HB2 ASP 41 HB2 ASP 41 -7.976 -17.251 -3.084
291 HB3 ASP 41 HB3 ASP 41 -8.890 -15.878 -3.701
292 H VAL 42 H VAL 42 -11.156 -17.049 -0.112
293 HA VAL 42 HA VAL 42 -12.804 -18.105 -2.314
294 HB VAL 42 HB VAL 42 -12.647 -19.328 0.441
295 HG11 VAL 42 HG11 VAL 42 -13.614 -21.030 -1.665
296 HG12 VAL 42 HG12 VAL 42 -14.400 -20.555 -0.158
297 HG13 VAL 42 HG13 VAL 42 -14.556 -19.541 -1.593
298 HG21 VAL 42 HG21 VAL 42 -10.653 -20.097 -0.265
299 HG22 VAL 42 HG22 VAL 42 -11.630 -21.214 -1.218
300 HG23 VAL 42 HG23 VAL 42 -10.998 -19.743 -1.958
301 H THR 43 H THR 43 -13.531 -15.748 -1.976
302 HA THR 43 HA THR 43 -15.748 -15.760 -0.035
303 HB THR 43 HB THR 43 -14.439 -13.184 -0.825
304 HG1 THR 43 HG1 THR 43 -12.948 -13.410 0.808
305 HG21 THR 43 HG21 THR 43 -15.160 -13.065 1.817
306 HG22 THR 43 HG22 THR 43 -16.389 -14.134 1.141
307 HG23 THR 43 HG23 THR 43 -16.154 -12.521 0.465
308 H TRP 44 H TRP 44 -15.557 -16.417 -2.944
309 HA TRP 44 HA TRP 44 -17.787 -14.740 -3.791
310 HB2 TRP 44 HB2 TRP 44 -15.180 -14.985 -5.280
311 HB3 TRP 44 HB3 TRP 44 -16.681 -14.574 -6.104
312 HD1 TRP 44 HD1 TRP 44 -17.984 -12.450 -4.358
313 HE1 TRP 44 HE1 TRP 44 -16.863 -10.183 -3.878
314 HE3 TRP 44 HE3 TRP 44 -13.127 -13.726 -5.320
315 HZ2 TRP 44 HZ2 TRP 44 -14.265 -9.082 -3.906
316 HZ3 TRP 44 HZ3 TRP 44 -11.385 -12.007 -5.069
317 HH2 TRP 44 HH2 TRP 44 -11.943 -9.734 -4.377
Start of MODEL 8
1 H1 SER 1 H SER 1 0.149 16.216 -5.687
2 HA SER 1 HA SER 1 -0.135 15.818 -8.582
3 HB2 SER 1 HB2 SER 1 1.733 17.496 -6.919
4 HB3 SER 1 HB3 SER 1 2.077 17.140 -8.610
5 HG SER 1 HG SER 1 0.864 19.134 -8.142
6 H HIS 2 H HIS 2 0.435 13.819 -9.159
7 HA HIS 2 HA HIS 2 2.931 12.716 -8.043
8 HB2 HIS 2 HB2 HIS 2 0.565 11.145 -9.084
9 HB3 HIS 2 HB3 HIS 2 2.017 10.487 -8.335
10 HD1 HIS 2 HD1 HIS 2 -1.202 12.201 -7.528
11 HD2 HIS 2 HD2 HIS 2 2.103 10.656 -5.540
12 HE1 HIS 2 HE1 HIS 2 -1.851 12.131 -5.099
13 H MET 3 H MET 3 4.200 13.645 -9.686
14 HA MET 3 HA MET 3 3.698 13.464 -12.432
15 HB2 MET 3 HB2 MET 3 6.002 14.052 -12.754
16 HB3 MET 3 HB3 MET 3 5.409 14.931 -11.350
17 HG2 MET 3 HG2 MET 3 6.438 13.178 -9.909
18 HG3 MET 3 HG3 MET 3 7.153 12.483 -11.362
19 HE1 MET 3 HE1 MET 3 9.715 13.989 -9.026
20 HE2 MET 3 HE2 MET 3 8.543 15.199 -8.506
21 HE3 MET 3 HE3 MET 3 8.066 13.505 -8.627
22 H GLY 4 H GLY 4 5.026 11.156 -10.176
23 HA2 GLY 4 HA2 GLY 4 5.173 9.201 -12.378
24 HA3 GLY 4 HA3 GLY 4 6.473 9.319 -11.202
25 H ALA 5 H ALA 5 5.329 6.914 -11.510
26 HA ALA 5 HA ALA 5 3.687 6.637 -9.078
27 HB1 ALA 5 HB1 ALA 5 2.292 6.247 -11.028
28 HB2 ALA 5 HB2 ALA 5 3.431 5.038 -11.623
29 HB3 ALA 5 HB3 ALA 5 2.533 4.747 -10.133
30 H ALA 6 H ALA 6 4.635 5.463 -7.556
31 HA ALA 6 HA ALA 6 6.534 3.362 -8.362
32 HB1 ALA 6 HB1 ALA 6 6.882 5.284 -6.063
33 HB2 ALA 6 HB2 ALA 6 7.952 3.936 -6.453
34 HB3 ALA 6 HB3 ALA 6 7.795 5.290 -7.572
35 H ALA 7 H ALA 7 3.628 3.781 -7.153
36 HA ALA 7 HA ALA 7 3.497 1.279 -5.868
37 HB1 ALA 7 HB1 ALA 7 2.943 3.389 -3.849
38 HB2 ALA 7 HB2 ALA 7 3.465 1.718 -3.628
39 HB3 ALA 7 HB3 ALA 7 4.624 2.941 -4.149
40 H LEU 8 H LEU 8 1.301 1.166 -4.549
41 HA LEU 8 HA LEU 8 -0.708 2.480 -6.247
42 HB2 LEU 8 HB2 LEU 8 -1.279 0.132 -4.485
43 HB3 LEU 8 HB3 LEU 8 -2.105 0.648 -5.954
44 HG LEU 8 HG LEU 8 0.293 0.023 -6.988
45 HD11 LEU 8 HD11 LEU 8 0.118 -2.307 -5.246
46 HD12 LEU 8 HD12 LEU 8 0.616 -0.839 -4.407
47 HD13 LEU 8 HD13 LEU 8 1.530 -1.408 -5.804
48 HD21 LEU 8 HD21 LEU 8 -0.707 -1.999 -7.766
49 HD22 LEU 8 HD22 LEU 8 -1.984 -0.790 -7.630
50 HD23 LEU 8 HD23 LEU 8 -1.820 -2.043 -6.398
51 H ARG 9 H ARG 9 -2.422 3.578 -5.367
52 HA ARG 9 HA ARG 9 -2.052 4.543 -2.669
53 HB2 ARG 9 HB2 ARG 9 -2.930 5.759 -4.897
54 HB3 ARG 9 HB3 ARG 9 -4.477 5.278 -4.214
55 HG2 ARG 9 HG2 ARG 9 -4.008 7.491 -3.482
56 HG3 ARG 9 HG3 ARG 9 -3.817 6.413 -2.097
57 HD2 ARG 9 HD2 ARG 9 -1.394 6.416 -2.428
58 HD3 ARG 9 HD3 ARG 9 -1.584 7.482 -3.820
59 HE ARG 9 HE ARG 9 -2.748 8.582 -1.460
60 HH11 ARG 9 HH11 ARG 9 0.261 8.103 -3.145
61 HH12 ARG 9 HH12 ARG 9 1.036 9.471 -2.418
62 HH21 ARG 9 HH21 ARG 9 -1.738 10.385 -0.497
63 HH22 ARG 9 HH22 ARG 9 -0.102 10.769 -0.911
64 H SER 10 H SER 10 -3.427 1.838 -3.871
65 HA SER 10 HA SER 10 -5.050 1.466 -1.497
66 HB2 SER 10 HB2 SER 10 -6.885 0.501 -3.169
67 HB3 SER 10 HB3 SER 10 -6.883 2.195 -2.677
68 HG SER 10 HG SER 10 -6.892 1.415 -5.086
69 H CYS 11 H CYS 11 -5.989 -0.829 -1.499
70 HA CYS 11 HA CYS 11 -3.932 -2.638 -2.571
71 HB2 CYS 11 HB2 CYS 11 -4.423 -2.394 -0.021
72 HB3 CYS 11 HB3 CYS 11 -5.836 -3.385 -0.373
73 HA PRO 12 HA PRO 12 -7.529 -3.754 -5.143
74 HB2 PRO 12 HB2 PRO 12 -6.022 -4.726 -7.183
75 HB3 PRO 12 HB3 PRO 12 -6.378 -3.005 -6.986
76 HG2 PRO 12 HG2 PRO 12 -3.914 -4.530 -6.229
77 HG3 PRO 12 HG3 PRO 12 -4.053 -2.940 -7.003
78 HD2 PRO 12 HD2 PRO 12 -3.539 -3.234 -4.362
79 HD3 PRO 12 HD3 PRO 12 -4.466 -1.864 -5.007
80 H MET 13 H MET 13 -5.088 -5.492 -3.573
81 HA MET 13 HA MET 13 -5.719 -8.098 -4.589
82 HB2 MET 13 HB2 MET 13 -3.966 -6.990 -2.460
83 HB3 MET 13 HB3 MET 13 -4.457 -8.671 -2.303
84 HG2 MET 13 HG2 MET 13 -2.557 -8.973 -3.489
85 HG3 MET 13 HG3 MET 13 -3.679 -8.749 -4.830
86 HE1 MET 13 HE1 MET 13 -0.035 -6.401 -3.797
87 HE2 MET 13 HE2 MET 13 -1.209 -6.326 -2.484
88 HE3 MET 13 HE3 MET 13 -0.666 -7.890 -3.093
89 H CYS 14 H CYS 14 -6.633 -6.186 -1.771
90 HA CYS 14 HA CYS 14 -8.674 -8.219 -1.146
91 HB2 CYS 14 HB2 CYS 14 -8.467 -7.674 1.205
92 HB3 CYS 14 HB3 CYS 14 -6.884 -8.112 0.571
93 H GLN 15 H GLN 15 -8.401 -5.429 -2.604
94 HA GLN 15 HA GLN 15 -9.758 -3.651 -3.020
95 HB2 GLN 15 HB2 GLN 15 -11.656 -5.632 -1.812
96 HB3 GLN 15 HB3 GLN 15 -12.212 -4.007 -2.195
97 HG2 GLN 15 HG2 GLN 15 -11.466 -4.348 -4.528
98 HG3 GLN 15 HG3 GLN 15 -11.050 -6.011 -4.114
99 HE21 GLN 15 HE21 GLN 15 -12.529 -6.756 -5.669
100 HE22 GLN 15 HE22 GLN 15 -14.230 -6.747 -5.369
101 H LYS 16 H LYS 16 -8.121 -3.135 -0.994
102 HA LYS 16 HA LYS 16 -9.804 -1.888 1.079
103 HB2 LYS 16 HB2 LYS 16 -8.303 -3.504 2.054
104 HB3 LYS 16 HB3 LYS 16 -6.932 -2.820 1.191
105 HG2 LYS 16 HG2 LYS 16 -6.947 -0.866 2.522
106 HG3 LYS 16 HG3 LYS 16 -8.522 -1.265 3.211
107 HD2 LYS 16 HD2 LYS 16 -7.426 -3.338 4.168
108 HD3 LYS 16 HD3 LYS 16 -5.882 -2.626 3.700
109 HE2 LYS 16 HE2 LYS 16 -6.095 -0.869 5.210
110 HE3 LYS 16 HE3 LYS 16 -7.841 -1.073 5.349
111 HZ1 LYS 16 HZ1 LYS 16 -5.754 -2.873 6.453
112 HZ2 LYS 16 HZ2 LYS 16 -7.413 -3.198 6.494
113 HZ3 LYS 16 HZ3 LYS 16 -6.792 -1.867 7.333
114 H GLU 17 H GLU 17 -9.356 0.244 1.718
115 HA GLU 17 HA GLU 17 -7.885 1.797 -0.301
116 HB2 GLU 17 HB2 GLU 17 -10.230 2.454 1.461
117 HB3 GLU 17 HB3 GLU 17 -9.257 3.728 0.741
118 HG2 GLU 17 HG2 GLU 17 -9.712 2.675 -1.491
119 HG3 GLU 17 HG3 GLU 17 -10.874 1.629 -0.675
120 H PHE 18 H PHE 18 -6.083 2.824 0.262
121 HA PHE 18 HA PHE 18 -5.172 2.701 3.002
122 HB2 PHE 18 HB2 PHE 18 -3.873 3.783 0.494
123 HB3 PHE 18 HB3 PHE 18 -3.087 3.721 2.068
124 HD1 PHE 18 HD2 PHE 18 -3.989 1.083 3.037
125 HD2 PHE 18 HD1 PHE 18 -2.641 2.310 -0.808
126 HE1 PHE 18 HE2 PHE 18 -3.239 -1.213 2.571
127 HE2 PHE 18 HE1 PHE 18 -1.889 0.015 -1.281
128 HZ PHE 18 HZ PHE 18 -2.188 -1.750 0.410
129 H ALA 19 H ALA 19 -5.123 4.319 4.444
130 HA ALA 19 HA ALA 19 -6.626 6.675 4.001
131 HB1 ALA 19 HB1 ALA 19 -5.296 7.279 6.250
132 HB2 ALA 19 HB2 ALA 19 -6.689 6.197 6.210
133 HB3 ALA 19 HB3 ALA 19 -5.056 5.532 6.226
134 HA PRO 20 HA PRO 20 -3.722 9.580 2.462
135 HB2 PRO 20 HB2 PRO 20 -4.376 11.837 3.822
136 HB3 PRO 20 HB3 PRO 20 -5.394 11.154 2.548
137 HG2 PRO 20 HG2 PRO 20 -5.654 10.903 5.520
138 HG3 PRO 20 HG3 PRO 20 -6.915 11.192 4.307
139 HD2 PRO 20 HD2 PRO 20 -6.467 8.751 5.390
140 HD3 PRO 20 HD3 PRO 20 -7.039 8.965 3.723
141 H ARG 21 H ARG 21 -3.916 9.217 5.948
142 HA ARG 21 HA ARG 21 -1.528 10.657 6.538
143 HB2 ARG 21 HB2 ARG 21 -1.748 9.748 8.775
144 HB3 ARG 21 HB3 ARG 21 -3.322 10.277 8.197
145 HG2 ARG 21 HG2 ARG 21 -3.918 8.276 9.076
146 HG3 ARG 21 HG3 ARG 21 -3.485 7.740 7.451
147 HD2 ARG 21 HD2 ARG 21 -1.469 6.832 8.149
148 HD3 ARG 21 HD3 ARG 21 -1.415 7.822 9.606
149 HE ARG 21 HE ARG 21 -2.705 5.275 9.288
150 HH11 ARG 21 HH11 ARG 21 -2.664 8.254 11.091
151 HH12 ARG 21 HH12 ARG 21 -3.414 7.567 12.493
152 HH21 ARG 21 HH21 ARG 21 -3.693 4.360 11.129
153 HH22 ARG 21 HH22 ARG 21 -3.999 5.352 12.514
154 H LEU 22 H LEU 22 -2.231 7.429 5.516
155 HA LEU 22 HA LEU 22 0.034 6.078 6.449
156 HB2 LEU 22 HB2 LEU 22 -1.733 5.689 4.056
157 HB3 LEU 22 HB3 LEU 22 -0.359 4.630 4.369
158 HG LEU 22 HG LEU 22 -2.694 5.034 6.238
159 HD11 LEU 22 HD11 LEU 22 -2.080 2.617 4.556
160 HD12 LEU 22 HD12 LEU 22 -3.205 3.879 4.058
161 HD13 LEU 22 HD13 LEU 22 -3.525 2.941 5.516
162 HD21 LEU 22 HD21 LEU 22 -0.086 3.907 6.596
163 HD22 LEU 22 HD22 LEU 22 -1.303 2.639 6.734
164 HD23 LEU 22 HD23 LEU 22 -1.400 4.069 7.761
165 H THR 23 H THR 23 2.023 5.594 5.487
166 HA THR 23 HA THR 23 2.920 7.592 3.524
167 HB THR 23 HB THR 23 5.250 6.683 4.364
168 HG1 THR 23 HG1 THR 23 4.986 6.215 6.689
169 HG21 THR 23 HG21 THR 23 4.326 8.992 4.618
170 HG22 THR 23 HG22 THR 23 5.348 8.477 5.959
171 HG23 THR 23 HG23 THR 23 3.593 8.477 6.136
172 H GLN 24 H GLN 24 4.888 6.747 2.214
173 HA GLN 24 HA GLN 24 3.993 4.769 0.464
174 HB2 GLN 24 HB2 GLN 24 6.297 4.801 -0.454
175 HB3 GLN 24 HB3 GLN 24 5.621 6.411 -0.237
176 HG2 GLN 24 HG2 GLN 24 6.863 6.516 1.948
177 HG3 GLN 24 HG3 GLN 24 7.684 5.035 1.458
178 HE21 GLN 24 HE21 GLN 24 8.393 8.020 1.830
179 HE22 GLN 24 HE22 GLN 24 9.345 8.368 0.431
180 H LEU 25 H LEU 25 6.116 4.561 3.263
181 HA LEU 25 HA LEU 25 6.940 1.878 2.834
182 HB2 LEU 25 HB2 LEU 25 7.908 1.976 4.971
183 HB3 LEU 25 HB3 LEU 25 8.058 3.599 4.300
184 HG LEU 25 HG LEU 25 5.800 3.946 5.670
185 HD11 LEU 25 HD11 LEU 25 5.364 1.994 6.739
186 HD12 LEU 25 HD12 LEU 25 6.445 2.711 7.934
187 HD13 LEU 25 HD13 LEU 25 7.059 1.512 6.795
188 HD21 LEU 25 HD21 LEU 25 8.628 4.043 6.699
189 HD22 LEU 25 HD22 LEU 25 7.255 4.726 7.571
190 HD23 LEU 25 HD23 LEU 25 7.689 5.350 5.978
191 H ASP 26 H ASP 26 4.246 3.362 4.534
192 HA ASP 26 HA ASP 26 3.353 1.054 5.894
193 HB2 ASP 26 HB2 ASP 26 2.128 3.677 5.146
194 HB3 ASP 26 HB3 ASP 26 1.081 2.387 5.731
195 H VAL 27 H VAL 27 2.494 2.445 2.749
196 HA VAL 27 HA VAL 27 0.430 0.707 2.064
197 HB VAL 27 HB VAL 27 2.455 1.973 0.213
198 HG11 VAL 27 HG11 VAL 27 -0.132 1.672 -0.941
199 HG12 VAL 27 HG12 VAL 27 1.402 0.977 -1.469
200 HG13 VAL 27 HG13 VAL 27 0.391 0.110 -0.313
201 HG21 VAL 27 HG21 VAL 27 -0.293 2.987 0.892
202 HG22 VAL 27 HG22 VAL 27 1.154 3.501 1.760
203 HG23 VAL 27 HG23 VAL 27 0.998 3.825 0.033
204 H ASP 28 H ASP 28 3.889 0.457 1.231
205 HA ASP 28 HA ASP 28 3.721 -2.033 -0.052
206 HB2 ASP 28 HB2 ASP 28 5.889 -0.350 1.064
207 HB3 ASP 28 HB3 ASP 28 6.260 -2.059 0.865
208 H SER 29 H SER 29 4.102 -1.164 3.326
209 HA SER 29 HA SER 29 4.927 -3.590 4.390
210 HB2 SER 29 HB2 SER 29 4.427 -1.231 5.495
211 HB3 SER 29 HB3 SER 29 2.886 -1.996 5.880
212 HG SER 29 HG SER 29 5.419 -2.506 6.869
213 H HIS 30 H HIS 30 1.595 -2.423 3.920
214 HA HIS 30 HA HIS 30 0.394 -4.860 4.765
215 HB2 HIS 30 HB2 HIS 30 -0.823 -2.747 4.882
216 HB3 HIS 30 HB3 HIS 30 -0.737 -2.578 3.131
217 HD1 HIS 30 HD1 HIS 30 -2.948 -3.690 5.707
218 HD2 HIS 30 HD2 HIS 30 -2.142 -4.886 1.811
219 HE1 HIS 30 HE1 HIS 30 -4.942 -5.045 4.994
220 H LEU 31 H LEU 31 1.260 -3.506 1.625
221 HA LEU 31 HA LEU 31 -0.015 -5.355 -0.025
222 HB2 LEU 31 HB2 LEU 31 2.505 -3.756 -0.364
223 HB3 LEU 31 HB3 LEU 31 1.883 -4.804 -1.637
224 HG LEU 31 HG LEU 31 0.313 -2.526 -0.441
225 HD11 LEU 31 HD11 LEU 31 1.049 -1.102 -2.101
226 HD12 LEU 31 HD12 LEU 31 1.629 -2.418 -3.121
227 HD13 LEU 31 HD13 LEU 31 2.527 -1.966 -1.673
228 HD21 LEU 31 HD21 LEU 31 -0.041 -4.218 -2.911
229 HD22 LEU 31 HD22 LEU 31 -0.993 -2.782 -2.535
230 HD23 LEU 31 HD23 LEU 31 -1.074 -4.194 -1.482
231 H ALA 32 H ALA 32 2.767 -5.696 1.981
232 HA ALA 32 HA ALA 32 3.791 -8.030 0.622
233 HB1 ALA 32 HB1 ALA 32 5.624 -7.334 1.665
234 HB2 ALA 32 HB2 ALA 32 4.696 -6.247 2.698
235 HB3 ALA 32 HB3 ALA 32 4.922 -7.931 3.169
236 H GLN 33 H GLN 33 2.036 -7.351 3.631
237 HA GLN 33 HA GLN 33 1.891 -10.091 4.421
238 HB2 GLN 33 HB2 GLN 33 0.282 -7.699 5.329
239 HB3 GLN 33 HB3 GLN 33 0.272 -9.276 6.107
240 HG2 GLN 33 HG2 GLN 33 2.889 -7.935 5.744
241 HG3 GLN 33 HG3 GLN 33 1.790 -7.286 6.959
242 HE21 GLN 33 HE21 GLN 33 4.400 -8.790 7.068
243 HE22 GLN 33 HE22 GLN 33 4.099 -10.084 8.173
244 H CYS 34 H CYS 34 -0.111 -7.948 2.404
245 HA CYS 34 HA CYS 34 -2.441 -9.492 2.550
246 HB2 CYS 34 HB2 CYS 34 -2.012 -7.068 1.617
247 HB3 CYS 34 HB3 CYS 34 -1.727 -7.898 0.100
248 H LEU 35 H LEU 35 0.177 -9.276 0.142
249 HA LEU 35 HA LEU 35 -0.691 -11.457 -1.440
250 HB2 LEU 35 HB2 LEU 35 1.184 -11.103 -2.721
251 HB3 LEU 35 HB3 LEU 35 0.938 -9.518 -1.990
252 HG LEU 35 HG LEU 35 2.646 -10.505 -0.206
253 HD11 LEU 35 HD11 LEU 35 3.464 -12.481 -0.819
254 HD12 LEU 35 HD12 LEU 35 4.323 -11.621 -2.097
255 HD13 LEU 35 HD13 LEU 35 2.758 -12.362 -2.431
256 HD21 LEU 35 HD21 LEU 35 2.723 -8.551 -2.023
257 HD22 LEU 35 HD22 LEU 35 3.938 -9.624 -2.720
258 HD23 LEU 35 HD23 LEU 35 4.130 -9.026 -1.071
259 H ALA 36 H ALA 36 1.266 -11.209 1.419
260 HA ALA 36 HA ALA 36 2.494 -13.777 1.217
261 HB1 ALA 36 HB1 ALA 36 3.602 -12.198 2.570
262 HB2 ALA 36 HB2 ALA 36 2.141 -11.846 3.495
263 HB3 ALA 36 HB3 ALA 36 2.950 -13.402 3.682
264 H GLU 37 H GLU 37 -0.491 -12.560 2.596
265 HA GLU 37 HA GLU 37 -1.114 -15.220 3.663
266 HB2 GLU 37 HB2 GLU 37 -2.268 -12.486 4.161
267 HB3 GLU 37 HB3 GLU 37 -3.118 -13.946 4.651
268 HG2 GLU 37 HG2 GLU 37 -1.022 -14.582 5.914
269 HG3 GLU 37 HG3 GLU 37 -0.461 -12.938 5.614
270 H SER 38 H SER 38 -1.145 -14.512 0.795
271 HA SER 38 HA SER 38 -4.010 -14.851 0.216
272 HB2 SER 38 HB2 SER 38 -3.591 -13.959 -1.976
273 HB3 SER 38 HB3 SER 38 -2.820 -12.881 -0.813
274 HG SER 38 HG SER 38 -1.579 -14.863 -2.420
275 H THR 39 H THR 39 -2.293 -16.994 1.108
276 HA THR 39 HA THR 39 -2.073 -18.640 -1.320
277 HB THR 39 HB THR 39 -0.974 -19.503 1.330
278 HG1 THR 39 HG1 THR 39 0.955 -18.373 0.813
279 HG21 THR 39 HG21 THR 39 -0.572 -21.211 -0.115
280 HG22 THR 39 HG22 THR 39 0.831 -20.222 -0.520
281 HG23 THR 39 HG23 THR 39 -0.611 -20.164 -1.532
282 H GLU 40 H GLU 40 -4.573 -18.553 -0.927
283 HA GLU 40 HA GLU 40 -5.401 -20.615 0.982
284 HB2 GLU 40 HB2 GLU 40 -6.872 -18.482 -0.539
285 HB3 GLU 40 HB3 GLU 40 -7.738 -19.842 0.163
286 HG2 GLU 40 HG2 GLU 40 -5.876 -18.322 1.902
287 HG3 GLU 40 HG3 GLU 40 -7.412 -17.576 1.465
288 H ASP 41 H ASP 41 -3.933 -21.456 -1.273
289 HA ASP 41 HA ASP 41 -3.964 -22.944 -3.000
290 HB2 ASP 41 HB2 ASP 41 -6.530 -23.856 -1.684
291 HB3 ASP 41 HB3 ASP 41 -5.531 -24.800 -2.787
292 H VAL 42 H VAL 42 -5.088 -20.410 -3.580
293 HA VAL 42 HA VAL 42 -7.315 -21.063 -5.384
294 HB VAL 42 HB VAL 42 -6.344 -18.321 -4.573
295 HG11 VAL 42 HG11 VAL 42 -9.093 -18.500 -5.385
296 HG12 VAL 42 HG12 VAL 42 -7.791 -17.515 -6.055
297 HG13 VAL 42 HG13 VAL 42 -8.043 -19.162 -6.638
298 HG21 VAL 42 HG21 VAL 42 -7.212 -18.879 -2.573
299 HG22 VAL 42 HG22 VAL 42 -8.757 -18.597 -3.376
300 HG23 VAL 42 HG23 VAL 42 -8.125 -20.238 -3.230
301 H THR 43 H THR 43 -6.179 -21.942 -7.105
302 HA THR 43 HA THR 43 -4.297 -20.134 -8.472
303 HB THR 43 HB THR 43 -3.271 -22.263 -7.820
304 HG1 THR 43 HG1 THR 43 -2.480 -22.768 -9.898
305 HG21 THR 43 HG21 THR 43 -4.024 -24.370 -8.621
306 HG22 THR 43 HG22 THR 43 -5.208 -23.618 -9.690
307 HG23 THR 43 HG23 THR 43 -5.437 -23.564 -7.943
308 H TRP 44 H TRP 44 -7.255 -21.913 -8.731
309 HA TRP 44 HA TRP 44 -7.477 -21.833 -11.572
310 HB2 TRP 44 HB2 TRP 44 -9.677 -22.108 -9.512
311 HB3 TRP 44 HB3 TRP 44 -9.787 -22.522 -11.220
312 HD1 TRP 44 HD1 TRP 44 -8.539 -23.851 -7.897
313 HE1 TRP 44 HE1 TRP 44 -7.770 -26.289 -8.198
314 HE3 TRP 44 HE3 TRP 44 -8.741 -24.141 -12.997
315 HZ2 TRP 44 HZ2 TRP 44 -7.310 -28.096 -10.317
316 HZ3 TRP 44 HZ3 TRP 44 -8.119 -26.260 -14.083
317 HH2 TRP 44 HH2 TRP 44 -7.419 -28.195 -12.769
Start of MODEL 9
1 H1 SER 1 H SER 1 2.115 19.045 -12.175
2 HA SER 1 HA SER 1 4.528 19.157 -13.865
3 HB2 SER 1 HB2 SER 1 3.723 21.287 -12.520
4 HB3 SER 1 HB3 SER 1 4.494 20.455 -11.170
5 HG SER 1 HG SER 1 6.345 21.033 -11.954
6 H HIS 2 H HIS 2 3.654 16.725 -13.084
7 HA HIS 2 HA HIS 2 5.828 15.810 -11.441
8 HB2 HIS 2 HB2 HIS 2 3.934 16.522 -9.846
9 HB3 HIS 2 HB3 HIS 2 3.072 15.110 -10.452
10 HD1 HIS 2 HD1 HIS 2 3.954 12.788 -9.748
11 HD2 HIS 2 HD2 HIS 2 6.094 15.971 -8.152
12 HE1 HIS 2 HE1 HIS 2 5.395 11.792 -7.945
13 H MET 3 H MET 3 6.543 14.292 -12.799
14 HA MET 3 HA MET 3 4.741 12.103 -13.489
15 HB2 MET 3 HB2 MET 3 5.431 12.098 -15.830
16 HB3 MET 3 HB3 MET 3 4.653 13.619 -15.417
17 HG2 MET 3 HG2 MET 3 7.612 13.454 -15.230
18 HG3 MET 3 HG3 MET 3 6.871 13.535 -16.826
19 HE1 MET 3 HE1 MET 3 8.362 15.440 -17.161
20 HE2 MET 3 HE2 MET 3 6.930 16.183 -17.873
21 HE3 MET 3 HE3 MET 3 7.945 17.108 -16.766
22 H GLY 4 H GLY 4 5.836 10.142 -14.068
23 HA2 GLY 4 HA2 GLY 4 7.805 8.831 -14.346
24 HA3 GLY 4 HA3 GLY 4 8.732 10.114 -13.585
25 H ALA 5 H ALA 5 5.983 7.996 -12.753
26 HA ALA 5 HA ALA 5 7.389 6.851 -10.540
27 HB1 ALA 5 HB1 ALA 5 6.751 9.087 -9.640
28 HB2 ALA 5 HB2 ALA 5 5.059 8.632 -9.848
29 HB3 ALA 5 HB3 ALA 5 6.086 7.726 -8.736
30 H ALA 6 H ALA 6 6.541 4.910 -10.020
31 HA ALA 6 HA ALA 6 3.842 4.283 -11.026
32 HB1 ALA 6 HB1 ALA 6 4.941 1.879 -11.192
33 HB2 ALA 6 HB2 ALA 6 5.052 3.046 -12.510
34 HB3 ALA 6 HB3 ALA 6 6.408 2.836 -11.402
35 H ALA 7 H ALA 7 2.501 3.776 -9.435
36 HA ALA 7 HA ALA 7 3.037 1.830 -7.476
37 HB1 ALA 7 HB1 ALA 7 3.934 4.477 -6.814
38 HB2 ALA 7 HB2 ALA 7 2.655 3.969 -5.709
39 HB3 ALA 7 HB3 ALA 7 4.100 2.977 -5.901
40 H LEU 8 H LEU 8 1.276 1.798 -5.761
41 HA LEU 8 HA LEU 8 -1.228 2.832 -6.922
42 HB2 LEU 8 HB2 LEU 8 -2.246 0.843 -5.649
43 HB3 LEU 8 HB3 LEU 8 -1.403 0.541 -7.166
44 HG LEU 8 HG LEU 8 0.614 -0.089 -5.779
45 HD11 LEU 8 HD11 LEU 8 0.499 0.467 -3.621
46 HD12 LEU 8 HD12 LEU 8 -0.537 -0.949 -3.440
47 HD13 LEU 8 HD13 LEU 8 -1.255 0.647 -3.667
48 HD21 LEU 8 HD21 LEU 8 -0.316 -2.326 -5.207
49 HD22 LEU 8 HD22 LEU 8 -0.698 -1.789 -6.843
50 HD23 LEU 8 HD23 LEU 8 -1.924 -1.703 -5.578
51 H ARG 9 H ARG 9 -2.849 3.557 -5.506
52 HA ARG 9 HA ARG 9 -1.832 4.362 -2.871
53 HB2 ARG 9 HB2 ARG 9 -2.790 5.985 -4.733
54 HB3 ARG 9 HB3 ARG 9 -4.331 5.506 -4.034
55 HG2 ARG 9 HG2 ARG 9 -3.704 7.497 -2.949
56 HG3 ARG 9 HG3 ARG 9 -3.394 6.196 -1.797
57 HD2 ARG 9 HD2 ARG 9 -1.098 6.358 -2.033
58 HD3 ARG 9 HD3 ARG 9 -1.214 7.126 -3.616
59 HE ARG 9 HE ARG 9 -1.233 9.143 -2.561
60 HH11 ARG 9 HH11 ARG 9 -2.257 6.706 -0.296
61 HH12 ARG 9 HH12 ARG 9 -2.345 7.802 1.044
62 HH21 ARG 9 HH21 ARG 9 -1.345 10.595 -0.807
63 HH22 ARG 9 HH22 ARG 9 -1.826 10.014 0.751
64 H SER 10 H SER 10 -3.336 1.819 -3.920
65 HA SER 10 HA SER 10 -4.905 1.497 -1.505
66 HB2 SER 10 HB2 SER 10 -6.801 0.521 -3.062
67 HB3 SER 10 HB3 SER 10 -6.741 2.245 -2.696
68 HG SER 10 HG SER 10 -6.490 2.589 -4.742
69 H CYS 11 H CYS 11 -5.883 -0.802 -1.485
70 HA CYS 11 HA CYS 11 -3.831 -2.633 -2.532
71 HB2 CYS 11 HB2 CYS 11 -4.263 -2.377 0.003
72 HB3 CYS 11 HB3 CYS 11 -5.739 -3.287 -0.299
73 HA PRO 12 HA PRO 12 -7.447 -3.757 -5.080
74 HB2 PRO 12 HB2 PRO 12 -5.954 -4.729 -7.129
75 HB3 PRO 12 HB3 PRO 12 -6.314 -3.010 -6.933
76 HG2 PRO 12 HG2 PRO 12 -3.839 -4.522 -6.194
77 HG3 PRO 12 HG3 PRO 12 -3.990 -2.935 -6.970
78 HD2 PRO 12 HD2 PRO 12 -3.453 -3.220 -4.332
79 HD3 PRO 12 HD3 PRO 12 -4.390 -1.856 -4.974
80 H MET 13 H MET 13 -4.991 -5.480 -3.519
81 HA MET 13 HA MET 13 -5.586 -8.092 -4.527
82 HB2 MET 13 HB2 MET 13 -3.853 -6.937 -2.427
83 HB3 MET 13 HB3 MET 13 -4.389 -8.590 -2.152
84 HG2 MET 13 HG2 MET 13 -2.542 -9.085 -3.325
85 HG3 MET 13 HG3 MET 13 -3.600 -8.796 -4.703
86 HE1 MET 13 HE1 MET 13 -0.947 -7.699 -2.400
87 HE2 MET 13 HE2 MET 13 -0.044 -6.440 -3.242
88 HE3 MET 13 HE3 MET 13 -1.492 -6.023 -2.323
89 H CYS 14 H CYS 14 -6.602 -6.176 -1.749
90 HA CYS 14 HA CYS 14 -8.620 -8.241 -1.156
91 HB2 CYS 14 HB2 CYS 14 -8.491 -7.650 1.196
92 HB3 CYS 14 HB3 CYS 14 -6.890 -8.092 0.610
93 H GLN 15 H GLN 15 -8.259 -5.346 -2.517
94 HA GLN 15 HA GLN 15 -9.661 -3.627 -3.017
95 HB2 GLN 15 HB2 GLN 15 -11.281 -5.776 -2.884
96 HB3 GLN 15 HB3 GLN 15 -11.981 -4.802 -1.597
97 HG2 GLN 15 HG2 GLN 15 -12.950 -3.419 -3.037
98 HG3 GLN 15 HG3 GLN 15 -11.476 -3.250 -3.990
99 HE21 GLN 15 HE21 GLN 15 -12.638 -3.308 -5.917
100 HE22 GLN 15 HE22 GLN 15 -13.312 -4.774 -6.537
101 H LYS 16 H LYS 16 -8.104 -3.100 -0.931
102 HA LYS 16 HA LYS 16 -9.889 -1.806 1.026
103 HB2 LYS 16 HB2 LYS 16 -8.630 -3.456 2.193
104 HB3 LYS 16 HB3 LYS 16 -7.139 -2.991 1.384
105 HG2 LYS 16 HG2 LYS 16 -6.810 -1.175 2.728
106 HG3 LYS 16 HG3 LYS 16 -8.534 -0.956 3.040
107 HD2 LYS 16 HD2 LYS 16 -8.300 -3.250 4.275
108 HD3 LYS 16 HD3 LYS 16 -6.589 -2.822 4.332
109 HE2 LYS 16 HE2 LYS 16 -7.135 -0.731 5.452
110 HE3 LYS 16 HE3 LYS 16 -8.855 -1.109 5.350
111 HZ1 LYS 16 HZ1 LYS 16 -7.574 -3.272 6.561
112 HZ2 LYS 16 HZ2 LYS 16 -8.678 -2.194 7.254
113 HZ3 LYS 16 HZ3 LYS 16 -7.019 -1.870 7.330
114 H GLU 17 H GLU 17 -9.584 0.334 1.477
115 HA GLU 17 HA GLU 17 -7.805 1.776 -0.340
116 HB2 GLU 17 HB2 GLU 17 -10.322 2.400 1.083
117 HB3 GLU 17 HB3 GLU 17 -9.182 3.729 0.929
118 HG2 GLU 17 HG2 GLU 17 -9.357 2.445 -1.589
119 HG3 GLU 17 HG3 GLU 17 -10.996 2.710 -0.996
120 H PHE 18 H PHE 18 -6.076 2.920 0.312
121 HA PHE 18 HA PHE 18 -5.217 2.620 3.061
122 HB2 PHE 18 HB2 PHE 18 -3.872 3.804 0.628
123 HB3 PHE 18 HB3 PHE 18 -3.122 3.731 2.219
124 HD1 PHE 18 HD2 PHE 18 -3.825 1.102 3.191
125 HD2 PHE 18 HD1 PHE 18 -2.745 2.335 -0.738
126 HE1 PHE 18 HE2 PHE 18 -3.015 -1.170 2.704
127 HE2 PHE 18 HE1 PHE 18 -1.935 0.065 -1.231
128 HZ PHE 18 HZ PHE 18 -2.068 -1.690 0.491
129 H ALA 19 H ALA 19 -5.155 4.171 4.584
130 HA ALA 19 HA ALA 19 -6.714 6.494 4.323
131 HB1 ALA 19 HB1 ALA 19 -5.195 7.056 6.488
132 HB2 ALA 19 HB2 ALA 19 -6.608 6.000 6.516
133 HB3 ALA 19 HB3 ALA 19 -4.991 5.307 6.390
134 HA PRO 20 HA PRO 20 -4.042 9.564 2.684
135 HB2 PRO 20 HB2 PRO 20 -4.690 11.748 4.162
136 HB3 PRO 20 HB3 PRO 20 -5.765 11.062 2.938
137 HG2 PRO 20 HG2 PRO 20 -5.809 10.709 5.911
138 HG3 PRO 20 HG3 PRO 20 -7.161 10.981 4.796
139 HD2 PRO 20 HD2 PRO 20 -6.541 8.529 5.763
140 HD3 PRO 20 HD3 PRO 20 -7.236 8.771 4.148
141 H ARG 21 H ARG 21 -3.916 8.921 6.106
142 HA ARG 21 HA ARG 21 -1.548 10.485 6.579
143 HB2 ARG 21 HB2 ARG 21 -2.958 10.234 8.456
144 HB3 ARG 21 HB3 ARG 21 -3.105 8.498 8.216
145 HG2 ARG 21 HG2 ARG 21 -1.035 8.058 9.133
146 HG3 ARG 21 HG3 ARG 21 -0.438 9.690 8.824
147 HD2 ARG 21 HD2 ARG 21 -2.734 9.325 10.687
148 HD3 ARG 21 HD3 ARG 21 -1.111 8.921 11.249
149 HE ARG 21 HE ARG 21 -2.185 11.530 10.865
150 HH11 ARG 21 HH11 ARG 21 0.750 9.667 10.696
151 HH12 ARG 21 HH12 ARG 21 1.784 11.028 10.979
152 HH21 ARG 21 HH21 ARG 21 -0.835 13.330 11.240
153 HH22 ARG 21 HH22 ARG 21 0.882 13.111 11.288
154 H LEU 22 H LEU 22 -2.279 7.245 5.593
155 HA LEU 22 HA LEU 22 0.055 5.913 6.337
156 HB2 LEU 22 HB2 LEU 22 -1.879 5.559 4.078
157 HB3 LEU 22 HB3 LEU 22 -0.449 4.537 4.207
158 HG LEU 22 HG LEU 22 -2.652 4.759 6.259
159 HD11 LEU 22 HD11 LEU 22 -3.329 3.599 4.203
160 HD12 LEU 22 HD12 LEU 22 -3.236 2.505 5.583
161 HD13 LEU 22 HD13 LEU 22 -1.951 2.512 4.375
162 HD21 LEU 22 HD21 LEU 22 -1.281 3.784 7.702
163 HD22 LEU 22 HD22 LEU 22 0.032 3.923 6.532
164 HD23 LEU 22 HD23 LEU 22 -0.973 2.474 6.561
165 H THR 23 H THR 23 2.026 5.570 5.349
166 HA THR 23 HA THR 23 2.733 7.530 3.269
167 HB THR 23 HB THR 23 5.129 7.003 4.058
168 HG1 THR 23 HG1 THR 23 3.882 6.304 6.491
169 HG21 THR 23 HG21 THR 23 4.467 8.396 6.306
170 HG22 THR 23 HG22 THR 23 3.060 8.686 5.284
171 HG23 THR 23 HG23 THR 23 4.671 9.109 4.707
172 H GLN 24 H GLN 24 4.698 6.769 1.931
173 HA GLN 24 HA GLN 24 3.933 4.641 0.323
174 HB2 GLN 24 HB2 GLN 24 6.176 4.780 -0.666
175 HB3 GLN 24 HB3 GLN 24 5.473 6.375 -0.434
176 HG2 GLN 24 HG2 GLN 24 6.795 6.574 1.666
177 HG3 GLN 24 HG3 GLN 24 7.589 5.057 1.249
178 HE21 GLN 24 HE21 GLN 24 8.946 4.989 -0.575
179 HE22 GLN 24 HE22 GLN 24 9.642 6.427 -1.229
180 H LEU 25 H LEU 25 6.122 4.707 3.084
181 HA LEU 25 HA LEU 25 7.088 2.059 2.790
182 HB2 LEU 25 HB2 LEU 25 8.049 2.319 4.927
183 HB3 LEU 25 HB3 LEU 25 8.133 3.896 4.145
184 HG LEU 25 HG LEU 25 5.857 4.231 5.502
185 HD11 LEU 25 HD11 LEU 25 7.243 1.952 6.780
186 HD12 LEU 25 HD12 LEU 25 5.528 2.361 6.737
187 HD13 LEU 25 HD13 LEU 25 6.608 3.206 7.846
188 HD21 LEU 25 HD21 LEU 25 7.699 5.739 5.660
189 HD22 LEU 25 HD22 LEU 25 8.674 4.549 6.522
190 HD23 LEU 25 HD23 LEU 25 7.259 5.260 7.299
191 H ASP 26 H ASP 26 4.336 3.467 4.466
192 HA ASP 26 HA ASP 26 3.599 1.151 5.919
193 HB2 ASP 26 HB2 ASP 26 2.126 3.642 5.095
194 HB3 ASP 26 HB3 ASP 26 1.303 2.333 5.941
195 H VAL 27 H VAL 27 2.544 2.460 2.795
196 HA VAL 27 HA VAL 27 0.546 0.627 2.199
197 HB VAL 27 HB VAL 27 2.471 1.938 0.275
198 HG11 VAL 27 HG11 VAL 27 1.511 0.622 -1.250
199 HG12 VAL 27 HG12 VAL 27 0.273 0.079 -0.118
200 HG13 VAL 27 HG13 VAL 27 0.055 1.586 -1.008
201 HG21 VAL 27 HG21 VAL 27 1.444 3.727 1.289
202 HG22 VAL 27 HG22 VAL 27 0.314 3.398 -0.026
203 HG23 VAL 27 HG23 VAL 27 -0.043 2.832 1.606
204 H ASP 28 H ASP 28 4.019 0.447 1.454
205 HA ASP 28 HA ASP 28 3.965 -2.007 0.107
206 HB2 ASP 28 HB2 ASP 28 6.038 -0.344 1.419
207 HB3 ASP 28 HB3 ASP 28 6.438 -2.044 1.182
208 H SER 29 H SER 29 4.106 -1.234 3.525
209 HA SER 29 HA SER 29 4.865 -3.717 4.543
210 HB2 SER 29 HB2 SER 29 4.395 -1.382 5.706
211 HB3 SER 29 HB3 SER 29 2.815 -2.107 6.006
212 HG SER 29 HG SER 29 3.903 -3.852 7.017
213 H HIS 30 H HIS 30 1.583 -2.436 4.017
214 HA HIS 30 HA HIS 30 0.268 -4.841 4.745
215 HB2 HIS 30 HB2 HIS 30 -0.835 -2.630 4.780
216 HB3 HIS 30 HB3 HIS 30 -0.746 -2.569 3.022
217 HD1 HIS 30 HD1 HIS 30 -3.034 -3.359 5.611
218 HD2 HIS 30 HD2 HIS 30 -2.180 -4.999 1.891
219 HE1 HIS 30 HE1 HIS 30 -5.060 -4.713 4.992
220 H LEU 31 H LEU 31 1.395 -3.521 1.682
221 HA LEU 31 HA LEU 31 0.129 -5.306 -0.057
222 HB2 LEU 31 HB2 LEU 31 2.705 -3.775 -0.236
223 HB3 LEU 31 HB3 LEU 31 2.153 -4.818 -1.546
224 HG LEU 31 HG LEU 31 0.647 -2.434 -0.469
225 HD11 LEU 31 HD11 LEU 31 1.291 -1.304 -2.496
226 HD12 LEU 31 HD12 LEU 31 2.167 -2.728 -3.056
227 HD13 LEU 31 HD13 LEU 31 2.739 -1.841 -1.644
228 HD21 LEU 31 HD21 LEU 31 -0.710 -2.757 -2.526
229 HD22 LEU 31 HD22 LEU 31 -0.868 -4.068 -1.357
230 HD23 LEU 31 HD23 LEU 31 0.133 -4.284 -2.794
231 H ALA 32 H ALA 32 2.829 -5.731 2.062
232 HA ALA 32 HA ALA 32 3.795 -8.121 0.757
233 HB1 ALA 32 HB1 ALA 32 5.608 -7.920 2.065
234 HB2 ALA 32 HB2 ALA 32 4.977 -6.305 2.389
235 HB3 ALA 32 HB3 ALA 32 4.652 -7.622 3.517
236 H GLN 33 H GLN 33 2.101 -7.350 3.787
237 HA GLN 33 HA GLN 33 1.816 -10.046 4.614
238 HB2 GLN 33 HB2 GLN 33 0.203 -7.611 5.393
239 HB3 GLN 33 HB3 GLN 33 0.183 -9.156 6.232
240 HG2 GLN 33 HG2 GLN 33 2.631 -8.862 6.651
241 HG3 GLN 33 HG3 GLN 33 2.478 -7.230 6.000
242 HE21 GLN 33 HE21 GLN 33 2.361 -5.759 7.521
243 HE22 GLN 33 HE22 GLN 33 1.585 -5.930 9.055
244 H CYS 34 H CYS 34 -0.080 -7.926 2.473
245 HA CYS 34 HA CYS 34 -2.405 -9.531 2.579
246 HB2 CYS 34 HB2 CYS 34 -2.037 -7.035 1.777
247 HB3 CYS 34 HB3 CYS 34 -1.769 -7.788 0.217
248 H LEU 35 H LEU 35 0.412 -9.224 0.456
249 HA LEU 35 HA LEU 35 -0.331 -11.090 -1.505
250 HB2 LEU 35 HB2 LEU 35 2.258 -9.927 -0.585
251 HB3 LEU 35 HB3 LEU 35 2.274 -11.277 -1.718
252 HG LEU 35 HG LEU 35 0.897 -8.634 -2.199
253 HD11 LEU 35 HD11 LEU 35 3.132 -9.277 -3.918
254 HD12 LEU 35 HD12 LEU 35 3.620 -9.160 -2.227
255 HD13 LEU 35 HD13 LEU 35 2.797 -7.808 -3.002
256 HD21 LEU 35 HD21 LEU 35 1.188 -9.711 -4.618
257 HD22 LEU 35 HD22 LEU 35 -0.233 -10.003 -3.615
258 HD23 LEU 35 HD23 LEU 35 1.065 -11.197 -3.677
259 H ALA 36 H ALA 36 1.479 -11.463 1.514
260 HA ALA 36 HA ALA 36 2.067 -14.222 1.136
261 HB1 ALA 36 HB1 ALA 36 3.451 -13.717 2.795
262 HB2 ALA 36 HB2 ALA 36 2.597 -12.205 3.108
263 HB3 ALA 36 HB3 ALA 36 2.068 -13.696 3.889
264 H GLU 37 H GLU 37 -0.528 -12.461 2.757
265 HA GLU 37 HA GLU 37 -1.725 -14.692 4.008
266 HB2 GLU 37 HB2 GLU 37 -2.597 -11.919 3.332
267 HB3 GLU 37 HB3 GLU 37 -3.821 -13.090 3.800
268 HG2 GLU 37 HG2 GLU 37 -2.466 -13.528 5.867
269 HG3 GLU 37 HG3 GLU 37 -1.470 -12.145 5.414
270 H SER 38 H SER 38 -1.894 -13.407 0.780
271 HA SER 38 HA SER 38 -4.276 -14.736 -0.019
272 HB2 SER 38 HB2 SER 38 -2.049 -13.321 -1.415
273 HB3 SER 38 HB3 SER 38 -3.095 -14.372 -2.372
274 HG SER 38 HG SER 38 -4.840 -13.133 -1.815
275 H THR 39 H THR 39 -1.057 -15.776 0.476
276 HA THR 39 HA THR 39 0.039 -17.742 0.122
277 HB THR 39 HB THR 39 -2.611 -19.110 -0.221
278 HG1 THR 39 HG1 THR 39 -1.510 -18.226 2.257
279 HG21 THR 39 HG21 THR 39 -1.456 -20.964 0.252
280 HG22 THR 39 HG22 THR 39 -0.706 -20.216 1.663
281 HG23 THR 39 HG23 THR 39 0.006 -19.996 0.065
282 H GLU 40 H GLU 40 -0.114 -16.243 -2.151
283 HA GLU 40 HA GLU 40 -1.067 -17.889 -4.335
284 HB2 GLU 40 HB2 GLU 40 -1.361 -15.551 -4.644
285 HB3 GLU 40 HB3 GLU 40 0.308 -15.211 -4.208
286 HG2 GLU 40 HG2 GLU 40 -0.003 -14.967 -6.586
287 HG3 GLU 40 HG3 GLU 40 1.067 -16.326 -6.248
288 H ASP 41 H ASP 41 0.153 -19.718 -4.468
289 HA ASP 41 HA ASP 41 2.998 -19.329 -5.109
290 HB2 ASP 41 HB2 ASP 41 2.622 -20.299 -2.803
291 HB3 ASP 41 HB3 ASP 41 1.926 -21.711 -3.593
292 H VAL 42 H VAL 42 1.473 -19.292 -7.197
293 HA VAL 42 HA VAL 42 1.145 -22.023 -8.211
294 HB VAL 42 HB VAL 42 0.200 -19.402 -9.382
295 HG11 VAL 42 HG11 VAL 42 0.440 -20.783 -11.229
296 HG12 VAL 42 HG12 VAL 42 0.015 -22.237 -10.324
297 HG13 VAL 42 HG13 VAL 42 -1.234 -21.067 -10.753
298 HG21 VAL 42 HG21 VAL 42 -1.811 -21.346 -8.586
299 HG22 VAL 42 HG22 VAL 42 -0.828 -20.790 -7.230
300 HG23 VAL 42 HG23 VAL 42 -1.699 -19.624 -8.226
301 H THR 43 H THR 43 2.958 -22.796 -9.090
302 HA THR 43 HA THR 43 4.569 -21.010 -10.788
303 HB THR 43 HB THR 43 6.364 -22.795 -10.491
304 HG1 THR 43 HG1 THR 43 5.842 -24.481 -9.336
305 HG21 THR 43 HG21 THR 43 5.424 -21.276 -8.053
306 HG22 THR 43 HG22 THR 43 6.458 -20.647 -9.335
307 HG23 THR 43 HG23 THR 43 7.039 -21.940 -8.287
308 H TRP 44 H TRP 44 2.838 -24.036 -10.646
309 HA TRP 44 HA TRP 44 3.235 -24.334 -13.544
310 HB2 TRP 44 HB2 TRP 44 4.636 -25.990 -12.365
311 HB3 TRP 44 HB3 TRP 44 3.206 -26.598 -11.536
312 HD1 TRP 44 HD1 TRP 44 1.348 -27.860 -13.114
313 HE1 TRP 44 HE1 TRP 44 1.672 -29.222 -15.274
314 HE3 TRP 44 HE3 TRP 44 6.001 -26.200 -14.429
315 HZ2 TRP 44 HZ2 TRP 44 3.641 -29.550 -17.271
316 HZ3 TRP 44 HZ3 TRP 44 7.035 -27.088 -16.477
317 HH2 TRP 44 HH2 TRP 44 5.878 -28.729 -17.867
Start of MODEL 10
1 H1 SER 1 H SER 1 10.508 3.468 -21.844
2 HA SER 1 HA SER 1 8.262 5.225 -22.119
3 HB2 SER 1 HB2 SER 1 8.322 4.162 -24.370
4 HB3 SER 1 HB3 SER 1 8.153 2.585 -23.599
5 HG SER 1 HG SER 1 6.097 2.942 -23.372
6 H HIS 2 H HIS 2 6.756 4.833 -20.579
7 HA HIS 2 HA HIS 2 6.799 2.253 -19.189
8 HB2 HIS 2 HB2 HIS 2 6.815 3.335 -17.003
9 HB3 HIS 2 HB3 HIS 2 8.254 3.786 -17.914
10 HD1 HIS 2 HD1 HIS 2 5.799 5.241 -15.826
11 HD2 HIS 2 HD2 HIS 2 7.704 6.436 -19.320
12 HE1 HIS 2 HE1 HIS 2 5.524 7.740 -15.921
13 H MET 3 H MET 3 4.909 2.039 -17.676
14 HA MET 3 HA MET 3 2.571 3.459 -18.772
15 HB2 MET 3 HB2 MET 3 1.259 1.430 -18.350
16 HB3 MET 3 HB3 MET 3 2.588 1.115 -19.457
17 HG2 MET 3 HG2 MET 3 3.843 0.400 -17.283
18 HG3 MET 3 HG3 MET 3 2.211 0.221 -16.643
19 HE1 MET 3 HE1 MET 3 3.418 -3.276 -17.091
20 HE2 MET 3 HE2 MET 3 4.742 -2.515 -17.974
21 HE3 MET 3 HE3 MET 3 4.131 -1.778 -16.492
22 H GLY 4 H GLY 4 4.087 2.075 -15.911
23 HA2 GLY 4 HA2 GLY 4 3.680 3.763 -13.987
24 HA3 GLY 4 HA3 GLY 4 2.006 3.286 -14.224
25 H ALA 5 H ALA 5 1.451 2.072 -12.537
26 HA ALA 5 HA ALA 5 1.453 0.425 -10.965
27 HB1 ALA 5 HB1 ALA 5 1.321 -1.133 -12.709
28 HB2 ALA 5 HB2 ALA 5 3.000 -0.873 -13.185
29 HB3 ALA 5 HB3 ALA 5 2.630 -1.724 -11.685
30 H ALA 6 H ALA 6 3.386 2.485 -10.637
31 HA ALA 6 HA ALA 6 5.526 0.997 -9.259
32 HB1 ALA 6 HB1 ALA 6 7.091 2.675 -9.768
33 HB2 ALA 6 HB2 ALA 6 6.220 2.382 -11.274
34 HB3 ALA 6 HB3 ALA 6 5.838 3.799 -10.296
35 H ALA 7 H ALA 7 2.766 2.441 -8.631
36 HA ALA 7 HA ALA 7 3.341 2.974 -5.925
37 HB1 ALA 7 HB1 ALA 7 4.307 5.013 -7.245
38 HB2 ALA 7 HB2 ALA 7 2.620 5.521 -7.299
39 HB3 ALA 7 HB3 ALA 7 3.414 5.263 -5.746
40 H LEU 8 H LEU 8 1.530 2.118 -5.139
41 HA LEU 8 HA LEU 8 -1.036 2.888 -6.361
42 HB2 LEU 8 HB2 LEU 8 -1.891 0.810 -5.187
43 HB3 LEU 8 HB3 LEU 8 -0.828 0.568 -6.572
44 HG LEU 8 HG LEU 8 0.364 0.562 -3.840
45 HD11 LEU 8 HD11 LEU 8 -1.720 -1.241 -4.703
46 HD12 LEU 8 HD12 LEU 8 -0.925 -1.103 -3.135
47 HD13 LEU 8 HD13 LEU 8 -0.207 -2.097 -4.402
48 HD21 LEU 8 HD21 LEU 8 1.520 -1.431 -5.190
49 HD22 LEU 8 HD22 LEU 8 2.049 0.246 -5.324
50 HD23 LEU 8 HD23 LEU 8 0.989 -0.445 -6.552
51 H ARG 9 H ARG 9 -2.577 3.838 -5.144
52 HA ARG 9 HA ARG 9 -1.842 4.567 -2.411
53 HB2 ARG 9 HB2 ARG 9 -3.501 5.756 -4.537
54 HB3 ARG 9 HB3 ARG 9 -4.161 5.913 -2.914
55 HG2 ARG 9 HG2 ARG 9 -2.855 7.857 -3.434
56 HG3 ARG 9 HG3 ARG 9 -2.029 6.924 -2.185
57 HD2 ARG 9 HD2 ARG 9 -0.367 6.217 -3.630
58 HD3 ARG 9 HD3 ARG 9 -1.362 6.476 -5.062
59 HE ARG 9 HE ARG 9 -0.855 8.939 -3.779
60 HH11 ARG 9 HH11 ARG 9 0.717 6.493 -5.694
61 HH12 ARG 9 HH12 ARG 9 1.869 7.588 -6.384
62 HH21 ARG 9 HH21 ARG 9 0.655 10.391 -4.680
63 HH22 ARG 9 HH22 ARG 9 1.834 9.805 -5.805
64 H SER 10 H SER 10 -3.262 2.012 -3.651
65 HA SER 10 HA SER 10 -4.915 1.575 -1.310
66 HB2 SER 10 HB2 SER 10 -6.721 0.637 -3.028
67 HB3 SER 10 HB3 SER 10 -6.735 2.320 -2.501
68 HG SER 10 HG SER 10 -5.389 1.421 -4.828
69 H CYS 11 H CYS 11 -5.867 -0.730 -1.418
70 HA CYS 11 HA CYS 11 -3.763 -2.499 -2.462
71 HB2 CYS 11 HB2 CYS 11 -4.328 -2.347 0.066
72 HB3 CYS 11 HB3 CYS 11 -5.753 -3.291 -0.354
73 HA PRO 12 HA PRO 12 -7.244 -3.548 -5.213
74 HB2 PRO 12 HB2 PRO 12 -5.651 -4.462 -7.213
75 HB3 PRO 12 HB3 PRO 12 -6.017 -2.748 -6.983
76 HG2 PRO 12 HG2 PRO 12 -3.586 -4.291 -6.167
77 HG3 PRO 12 HG3 PRO 12 -3.694 -2.681 -6.901
78 HD2 PRO 12 HD2 PRO 12 -3.292 -3.049 -4.248
79 HD3 PRO 12 HD3 PRO 12 -4.192 -1.662 -4.894
80 H MET 13 H MET 13 -4.865 -5.328 -3.593
81 HA MET 13 HA MET 13 -5.441 -7.906 -4.707
82 HB2 MET 13 HB2 MET 13 -3.373 -6.956 -3.271
83 HB3 MET 13 HB3 MET 13 -4.298 -7.707 -1.978
84 HG2 MET 13 HG2 MET 13 -4.320 -9.809 -3.329
85 HG3 MET 13 HG3 MET 13 -3.206 -9.026 -4.447
86 HE1 MET 13 HE1 MET 13 -0.919 -7.778 -3.371
87 HE2 MET 13 HE2 MET 13 -1.786 -7.246 -1.931
88 HE3 MET 13 HE3 MET 13 -0.302 -8.187 -1.771
89 H CYS 14 H CYS 14 -6.490 -6.087 -1.869
90 HA CYS 14 HA CYS 14 -8.557 -8.139 -1.414
91 HB2 CYS 14 HB2 CYS 14 -8.469 -7.663 0.960
92 HB3 CYS 14 HB3 CYS 14 -6.856 -8.080 0.394
93 H GLN 15 H GLN 15 -8.222 -5.305 -2.773
94 HA GLN 15 HA GLN 15 -9.562 -3.518 -3.201
95 HB2 GLN 15 HB2 GLN 15 -11.510 -5.537 -2.150
96 HB3 GLN 15 HB3 GLN 15 -12.053 -3.904 -2.508
97 HG2 GLN 15 HG2 GLN 15 -11.477 -4.117 -4.796
98 HG3 GLN 15 HG3 GLN 15 -10.612 -5.625 -4.502
99 HE21 GLN 15 HE21 GLN 15 -12.627 -5.320 -6.418
100 HE22 GLN 15 HE22 GLN 15 -13.970 -6.308 -5.962
101 H LYS 16 H LYS 16 -8.029 -3.059 -1.084
102 HA LYS 16 HA LYS 16 -9.816 -1.877 0.940
103 HB2 LYS 16 HB2 LYS 16 -8.364 -3.519 1.940
104 HB3 LYS 16 HB3 LYS 16 -6.952 -2.809 1.169
105 HG2 LYS 16 HG2 LYS 16 -7.036 -0.899 2.556
106 HG3 LYS 16 HG3 LYS 16 -8.646 -1.314 3.149
107 HD2 LYS 16 HD2 LYS 16 -7.701 -3.330 4.213
108 HD3 LYS 16 HD3 LYS 16 -6.095 -2.841 3.671
109 HE2 LYS 16 HE2 LYS 16 -6.128 -2.029 5.828
110 HE3 LYS 16 HE3 LYS 16 -6.654 -0.619 4.909
111 HZ1 LYS 16 HZ1 LYS 16 -8.665 -2.485 5.967
112 HZ2 LYS 16 HZ2 LYS 16 -8.804 -0.831 5.638
113 HZ3 LYS 16 HZ3 LYS 16 -7.958 -1.352 7.007
114 H GLU 17 H GLU 17 -9.406 0.236 1.663
115 HA GLU 17 HA GLU 17 -7.822 1.846 -0.222
116 HB2 GLU 17 HB2 GLU 17 -10.250 2.504 1.438
117 HB3 GLU 17 HB3 GLU 17 -9.262 3.751 0.689
118 HG2 GLU 17 HG2 GLU 17 -9.693 2.735 -1.511
119 HG3 GLU 17 HG3 GLU 17 -10.743 1.551 -0.734
120 H PHE 18 H PHE 18 -6.074 2.876 0.487
121 HA PHE 18 HA PHE 18 -5.334 2.675 3.271
122 HB2 PHE 18 HB2 PHE 18 -3.900 3.896 0.904
123 HB3 PHE 18 HB3 PHE 18 -3.212 3.741 2.517
124 HD1 PHE 18 HD2 PHE 18 -4.083 1.057 3.296
125 HD2 PHE 18 HD1 PHE 18 -2.641 2.500 -0.440
126 HE1 PHE 18 HE2 PHE 18 -3.284 -1.201 2.735
127 HE2 PHE 18 HE1 PHE 18 -1.841 0.244 -1.007
128 HZ PHE 18 HZ PHE 18 -2.161 -1.611 0.583
129 H ALA 19 H ALA 19 -5.067 4.337 4.719
130 HA ALA 19 HA ALA 19 -6.735 6.620 4.373
131 HB1 ALA 19 HB1 ALA 19 -5.315 7.219 6.591
132 HB2 ALA 19 HB2 ALA 19 -6.725 6.160 6.576
133 HB3 ALA 19 HB3 ALA 19 -5.103 5.469 6.533
134 HA PRO 20 HA PRO 20 -3.987 9.658 2.804
135 HB2 PRO 20 HB2 PRO 20 -4.677 11.864 4.227
136 HB3 PRO 20 HB3 PRO 20 -5.709 11.169 2.973
137 HG2 PRO 20 HG2 PRO 20 -5.867 10.855 5.946
138 HG3 PRO 20 HG3 PRO 20 -7.174 11.120 4.778
139 HD2 PRO 20 HD2 PRO 20 -6.606 8.678 5.799
140 HD3 PRO 20 HD3 PRO 20 -7.237 8.901 4.155
141 H ARG 21 H ARG 21 -3.821 8.719 6.075
142 HA ARG 21 HA ARG 21 -1.554 10.408 6.725
143 HB2 ARG 21 HB2 ARG 21 -1.591 9.197 8.892
144 HB3 ARG 21 HB3 ARG 21 -3.130 9.952 8.496
145 HG2 ARG 21 HG2 ARG 21 -4.170 7.928 8.093
146 HG3 ARG 21 HG3 ARG 21 -2.646 7.086 7.809
147 HD2 ARG 21 HD2 ARG 21 -3.666 6.461 9.954
148 HD3 ARG 21 HD3 ARG 21 -2.094 7.231 10.163
149 HE ARG 21 HE ARG 21 -3.128 8.888 11.337
150 HH11 ARG 21 HH11 ARG 21 -5.507 7.256 9.390
151 HH12 ARG 21 HH12 ARG 21 -6.845 8.135 10.055
152 HH21 ARG 21 HH21 ARG 21 -4.879 10.051 12.221
153 HH22 ARG 21 HH22 ARG 21 -6.486 9.724 11.665
154 H LEU 22 H LEU 22 -2.188 7.188 5.598
155 HA LEU 22 HA LEU 22 0.285 6.006 6.294
156 HB2 LEU 22 HB2 LEU 22 -1.732 5.370 4.154
157 HB3 LEU 22 HB3 LEU 22 -0.295 4.392 4.440
158 HG LEU 22 HG LEU 22 -2.439 4.890 6.501
159 HD11 LEU 22 HD11 LEU 22 -2.021 2.424 4.824
160 HD12 LEU 22 HD12 LEU 22 -3.259 3.639 4.510
161 HD13 LEU 22 HD13 LEU 22 -3.294 2.713 6.010
162 HD21 LEU 22 HD21 LEU 22 -1.226 3.652 7.927
163 HD22 LEU 22 HD22 LEU 22 0.128 4.096 6.889
164 HD23 LEU 22 HD23 LEU 22 -0.683 2.545 6.666
165 H THR 23 H THR 23 2.088 5.525 4.959
166 HA THR 23 HA THR 23 2.455 7.413 2.724
167 HB THR 23 HB THR 23 4.957 7.180 3.332
168 HG1 THR 23 HG1 THR 23 5.068 6.887 5.744
169 HG21 THR 23 HG21 THR 23 4.429 8.819 5.404
170 HG22 THR 23 HG22 THR 23 2.852 8.811 4.613
171 HG23 THR 23 HG23 THR 23 4.285 9.311 3.716
172 H GLN 24 H GLN 24 4.492 6.654 1.388
173 HA GLN 24 HA GLN 24 3.792 4.399 -0.039
174 HB2 GLN 24 HB2 GLN 24 5.374 6.182 -0.788
175 HB3 GLN 24 HB3 GLN 24 6.599 5.476 0.260
176 HG2 GLN 24 HG2 GLN 24 7.083 4.635 -1.855
177 HG3 GLN 24 HG3 GLN 24 6.234 3.320 -1.043
178 HE21 GLN 24 HE21 GLN 24 5.356 2.303 -2.750
179 HE22 GLN 24 HE22 GLN 24 4.227 3.020 -3.843
180 H LEU 25 H LEU 25 5.936 4.681 2.739
181 HA LEU 25 HA LEU 25 6.956 2.042 2.642
182 HB2 LEU 25 HB2 LEU 25 7.888 2.466 4.747
183 HB3 LEU 25 HB3 LEU 25 7.888 4.021 3.917
184 HG LEU 25 HG LEU 25 5.583 4.261 5.244
185 HD11 LEU 25 HD11 LEU 25 6.701 3.255 7.598
186 HD12 LEU 25 HD12 LEU 25 6.847 1.958 6.412
187 HD13 LEU 25 HD13 LEU 25 5.269 2.667 6.753
188 HD21 LEU 25 HD21 LEU 25 8.389 4.813 6.163
189 HD22 LEU 25 HD22 LEU 25 6.979 5.353 7.075
190 HD23 LEU 25 HD23 LEU 25 7.233 5.922 5.425
191 H ASP 26 H ASP 26 4.098 3.476 4.079
192 HA ASP 26 HA ASP 26 3.381 1.215 5.660
193 HB2 ASP 26 HB2 ASP 26 1.825 3.611 4.684
194 HB3 ASP 26 HB3 ASP 26 1.107 2.357 5.690
195 H VAL 27 H VAL 27 2.424 2.377 2.453
196 HA VAL 27 HA VAL 27 0.424 0.538 1.883
197 HB VAL 27 HB VAL 27 2.430 1.731 -0.036
198 HG11 VAL 27 HG11 VAL 27 0.210 -0.117 -0.411
199 HG12 VAL 27 HG12 VAL 27 0.076 1.337 -1.403
200 HG13 VAL 27 HG13 VAL 27 1.515 0.323 -1.510
201 HG21 VAL 27 HG21 VAL 27 -0.216 2.852 -0.132
202 HG22 VAL 27 HG22 VAL 27 0.441 2.966 1.501
203 HG23 VAL 27 HG23 VAL 27 1.330 3.656 0.144
204 H ASP 28 H ASP 28 3.890 0.302 1.085
205 HA ASP 28 HA ASP 28 3.819 -2.248 -0.046
206 HB2 ASP 28 HB2 ASP 28 5.750 -0.399 0.262
207 HB3 ASP 28 HB3 ASP 28 6.229 -1.526 1.528
208 H SER 29 H SER 29 4.058 -1.230 3.308
209 HA SER 29 HA SER 29 4.824 -3.614 4.505
210 HB2 SER 29 HB2 SER 29 4.310 -1.209 5.492
211 HB3 SER 29 HB3 SER 29 2.743 -1.938 5.845
212 HG SER 29 HG SER 29 5.193 -3.150 6.578
213 H HIS 30 H HIS 30 1.516 -2.441 3.890
214 HA HIS 30 HA HIS 30 0.279 -4.849 4.771
215 HB2 HIS 30 HB2 HIS 30 -0.910 -2.707 4.799
216 HB3 HIS 30 HB3 HIS 30 -0.814 -2.618 3.043
217 HD1 HIS 30 HD1 HIS 30 -3.061 -3.564 5.640
218 HD2 HIS 30 HD2 HIS 30 -2.210 -5.009 1.839
219 HE1 HIS 30 HE1 HIS 30 -5.057 -4.948 4.984
220 H LEU 31 H LEU 31 1.380 -3.638 1.670
221 HA LEU 31 HA LEU 31 0.081 -5.480 0.001
222 HB2 LEU 31 HB2 LEU 31 2.626 -3.915 -0.267
223 HB3 LEU 31 HB3 LEU 31 2.083 -5.016 -1.532
224 HG LEU 31 HG LEU 31 0.551 -2.617 -0.529
225 HD11 LEU 31 HD11 LEU 31 1.203 -1.486 -2.484
226 HD12 LEU 31 HD12 LEU 31 1.883 -2.946 -3.201
227 HD13 LEU 31 HD13 LEU 31 2.685 -2.183 -1.828
228 HD21 LEU 31 HD21 LEU 31 -1.205 -3.386 -1.648
229 HD22 LEU 31 HD22 LEU 31 -0.341 -4.908 -1.871
230 HD23 LEU 31 HD23 LEU 31 -0.231 -3.642 -3.095
231 H ALA 32 H ALA 32 2.804 -5.813 2.099
232 HA ALA 32 HA ALA 32 3.812 -8.211 0.848
233 HB1 ALA 32 HB1 ALA 32 5.606 -7.374 1.888
234 HB2 ALA 32 HB2 ALA 32 4.630 -6.441 3.025
235 HB3 ALA 32 HB3 ALA 32 4.952 -8.148 3.331
236 H GLN 33 H GLN 33 1.963 -7.401 3.763
237 HA GLN 33 HA GLN 33 1.736 -10.119 4.625
238 HB2 GLN 33 HB2 GLN 33 0.177 -7.662 5.442
239 HB3 GLN 33 HB3 GLN 33 0.105 -9.219 6.255
240 HG2 GLN 33 HG2 GLN 33 2.718 -8.858 6.399
241 HG3 GLN 33 HG3 GLN 33 2.242 -7.166 6.266
242 HE21 GLN 33 HE21 GLN 33 0.918 -10.011 7.928
243 HE22 GLN 33 HE22 GLN 33 0.817 -9.267 9.484
244 H CYS 34 H CYS 34 -0.155 -7.967 2.514
245 HA CYS 34 HA CYS 34 -2.534 -9.434 2.640
246 HB2 CYS 34 HB2 CYS 34 -2.044 -7.054 1.675
247 HB3 CYS 34 HB3 CYS 34 -1.680 -7.906 0.188
248 H LEU 35 H LEU 35 0.228 -9.423 0.400
249 HA LEU 35 HA LEU 35 -0.699 -11.622 -1.166
250 HB2 LEU 35 HB2 LEU 35 1.193 -11.340 -2.438
251 HB3 LEU 35 HB3 LEU 35 0.970 -9.727 -1.765
252 HG LEU 35 HG LEU 35 2.642 -10.687 0.070
253 HD11 LEU 35 HD11 LEU 35 2.904 -12.484 -2.269
254 HD12 LEU 35 HD12 LEU 35 3.190 -12.797 -0.557
255 HD13 LEU 35 HD13 LEU 35 4.392 -11.923 -1.507
256 HD21 LEU 35 HD21 LEU 35 4.151 -9.254 -0.820
257 HD22 LEU 35 HD22 LEU 35 2.771 -8.797 -1.818
258 HD23 LEU 35 HD23 LEU 35 3.985 -9.912 -2.448
259 H ALA 36 H ALA 36 1.226 -11.288 1.708
260 HA ALA 36 HA ALA 36 2.501 -13.811 1.654
261 HB1 ALA 36 HB1 ALA 36 3.336 -12.075 3.088
262 HB2 ALA 36 HB2 ALA 36 1.808 -12.006 3.966
263 HB3 ALA 36 HB3 ALA 36 2.829 -13.438 4.087
264 H GLU 37 H GLU 37 -0.650 -12.738 2.756
265 HA GLU 37 HA GLU 37 -1.272 -15.207 4.094
266 HB2 GLU 37 HB2 GLU 37 -2.724 -12.672 3.495
267 HB3 GLU 37 HB3 GLU 37 -3.675 -14.102 3.870
268 HG2 GLU 37 HG2 GLU 37 -2.090 -14.284 5.925
269 HG3 GLU 37 HG3 GLU 37 -1.788 -12.577 5.601
270 H SER 38 H SER 38 -1.728 -13.848 0.914
271 HA SER 38 HA SER 38 -2.621 -14.669 -1.014
272 HB2 SER 38 HB2 SER 38 -1.363 -16.958 0.347
273 HB3 SER 38 HB3 SER 38 -2.557 -17.399 -0.874
274 HG SER 38 HG SER 38 -1.022 -17.018 -2.247
275 H THR 39 H THR 39 -4.383 -14.264 1.336
276 HA THR 39 HA THR 39 -6.328 -16.191 1.663
277 HB THR 39 HB THR 39 -7.234 -13.358 1.450
278 HG1 THR 39 HG1 THR 39 -5.796 -12.664 2.833
279 HG21 THR 39 HG21 THR 39 -7.766 -15.745 3.156
280 HG22 THR 39 HG22 THR 39 -8.900 -14.648 2.368
281 HG23 THR 39 HG23 THR 39 -8.054 -14.141 3.829
282 H GLU 40 H GLU 40 -5.799 -14.046 -1.034
283 HA GLU 40 HA GLU 40 -8.324 -14.246 -2.259
284 HB2 GLU 40 HB2 GLU 40 -5.580 -13.522 -3.170
285 HB3 GLU 40 HB3 GLU 40 -6.793 -13.864 -4.394
286 HG2 GLU 40 HG2 GLU 40 -8.242 -12.183 -3.039
287 HG3 GLU 40 HG3 GLU 40 -6.688 -11.651 -2.402
288 H ASP 41 H ASP 41 -9.100 -16.329 -2.284
289 HA ASP 41 HA ASP 41 -7.515 -18.420 -3.555
290 HB2 ASP 41 HB2 ASP 41 -9.456 -19.883 -2.904
291 HB3 ASP 41 HB3 ASP 41 -8.636 -19.106 -1.553
292 H VAL 42 H VAL 42 -7.616 -17.241 -5.636
293 HA VAL 42 HA VAL 42 -10.187 -17.601 -7.020
294 HB VAL 42 HB VAL 42 -7.821 -15.922 -7.863
295 HG11 VAL 42 HG11 VAL 42 -9.867 -14.960 -9.285
296 HG12 VAL 42 HG12 VAL 42 -8.831 -16.266 -9.865
297 HG13 VAL 42 HG13 VAL 42 -10.395 -16.636 -9.138
298 HG21 VAL 42 HG21 VAL 42 -8.742 -14.864 -5.970
299 HG22 VAL 42 HG22 VAL 42 -9.440 -14.028 -7.357
300 HG23 VAL 42 HG23 VAL 42 -10.394 -15.220 -6.474
301 H THR 43 H THR 43 -10.316 -19.430 -8.130
302 HA THR 43 HA THR 43 -7.916 -20.380 -9.556
303 HB THR 43 HB THR 43 -9.208 -22.668 -9.390
304 HG1 THR 43 HG1 THR 43 -10.963 -22.372 -8.219
305 HG21 THR 43 HG21 THR 43 -7.472 -21.328 -7.355
306 HG22 THR 43 HG22 THR 43 -7.088 -22.646 -8.462
307 HG23 THR 43 HG23 THR 43 -8.093 -22.949 -7.046
308 H TRP 44 H TRP 44 -8.797 -18.930 -11.264
309 HA TRP 44 HA TRP 44 -10.968 -20.242 -12.763
310 HB2 TRP 44 HB2 TRP 44 -11.388 -17.881 -11.988
311 HB3 TRP 44 HB3 TRP 44 -10.071 -17.370 -13.040
312 HD1 TRP 44 HD1 TRP 44 -12.458 -20.067 -14.275
313 HE1 TRP 44 HE1 TRP 44 -13.875 -19.109 -16.199
314 HE3 TRP 44 HE3 TRP 44 -11.067 -15.159 -13.940
315 HZ2 TRP 44 HZ2 TRP 44 -14.341 -16.605 -17.413
316 HZ3 TRP 44 HZ3 TRP 44 -12.045 -13.547 -15.521
317 HH2 TRP 44 HH2 TRP 44 -13.647 -14.256 -17.221