Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
553383 | 2lxz RC | 18705 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 1HT ALA 1 -1.457 -14.067 5.791
2 H2 ALA 1 2HT ALA 1 -2.832 -13.918 4.806
3 H3 ALA 1 3HT ALA 1 -2.639 -12.908 6.158
4 HA ALA 1 HA ALA 1 -0.485 -12.817 4.220
5 HB1 ALA 1 2HB ALA 1 -3.320 -12.011 3.602
6 HB2 ALA 1 3HB ALA 1 -2.163 -12.858 2.575
7 HB3 ALA 1 1HB ALA 1 -1.963 -11.135 2.892
8 H THR 2 H THR 2 -0.161 -10.328 3.827
9 HA THR 2 HA THR 2 -0.657 -8.914 6.373
10 HB THR 2 HB THR 2 1.832 -8.935 4.655
11 HG1 THR 2 1HG THR 2 1.266 -10.558 6.397
12 HG21 THR 2 3HG2 THR 2 2.394 -7.461 6.915
13 HG22 THR 2 1HG2 THR 2 0.763 -6.927 6.508
14 HG23 THR 2 2HG2 THR 2 2.059 -6.785 5.321
15 H CYS 3 H CYS 3 -2.110 -7.418 5.952
16 HA CYS 3 HA CYS 3 -2.263 -6.103 3.370
17 HB2 CYS 3 2HB CYS 3 -3.842 -5.781 5.931
18 HB3 CYS 3 1HB CYS 3 -4.182 -4.919 4.435
19 H TYR 4 H TYR 4 -1.560 -4.081 2.901
20 HA TYR 4 HA TYR 4 -1.022 -2.119 4.931
21 HB2 TYR 4 2HB TYR 4 1.384 -1.928 4.568
22 HB3 TYR 4 1HB TYR 4 0.989 -3.546 5.150
23 HD1 TYR 4 1HD TYR 4 1.111 -5.492 3.668
24 HD2 TYR 4 2HD TYR 4 2.068 -1.549 2.257
25 HE1 TYR 4 1HE TYR 4 2.161 -6.468 1.644
26 HE2 TYR 4 2HE TYR 4 3.118 -2.526 0.236
27 HH TYR 4 HH TYR 4 3.661 -5.957 -0.075
28 H CYS 5 H CYS 5 -0.416 -0.040 4.015
29 HA CYS 5 HA CYS 5 -1.353 0.207 1.252
30 HB2 CYS 5 2HB CYS 5 -0.589 2.529 2.992
31 HB3 CYS 5 1HB CYS 5 -1.771 2.440 1.712
32 H ARG 6 H ARG 6 -0.158 1.179 -0.390
33 HA ARG 6 HA ARG 6 2.643 1.860 0.170
34 HB2 ARG 6 2HB ARG 6 3.469 0.484 -1.646
35 HB3 ARG 6 1HB ARG 6 2.581 -0.534 -0.513
36 HG2 ARG 6 2HG ARG 6 0.791 -0.828 -1.962
37 HG3 ARG 6 1HG ARG 6 1.122 0.658 -2.851
38 HD2 ARG 6 2HD ARG 6 3.040 -1.667 -2.866
39 HD3 ARG 6 1HD ARG 6 1.725 -1.534 -4.029
40 HE ARG 6 HE ARG 6 2.841 0.813 -4.420
41 HH11 ARG 6 1HH2 ARG 6 4.358 -2.228 -3.754
42 HH12 ARG 6 2HH2 ARG 6 5.810 -1.848 -4.616
43 HH21 ARG 6 1HH1 ARG 6 4.741 1.312 -5.558
44 HH22 ARG 6 2HH1 ARG 6 6.027 0.154 -5.638
45 H THR 7 H THR 7 3.661 3.089 -1.559
46 HA THR 7 HA THR 7 1.750 4.853 -2.865
47 HB THR 7 HB THR 7 3.447 6.188 -2.117
48 HG1 THR 7 1HG THR 7 3.847 6.779 -4.094
49 HG21 THR 7 3HG2 THR 7 5.876 5.334 -2.131
50 HG22 THR 7 1HG2 THR 7 5.186 3.751 -2.491
51 HG23 THR 7 2HG2 THR 7 4.764 4.576 -0.991
52 H GLY 8 H GLY 8 1.068 2.830 -4.164
53 HA2 GLY 8 2HA GLY 8 1.204 2.982 -6.760
54 HA3 GLY 8 1HA GLY 8 2.830 2.370 -6.477
55 H ARG 9 H ARG 9 1.875 0.636 -7.934
56 HA ARG 9 HA ARG 9 -0.043 -1.178 -6.829
57 HB2 ARG 9 2HB ARG 9 1.690 -1.107 -9.236
58 HB3 ARG 9 1HB ARG 9 1.147 -2.693 -8.684
59 HG2 ARG 9 2HG ARG 9 -1.206 -1.671 -8.569
60 HG3 ARG 9 1HG ARG 9 -0.541 -0.327 -9.504
61 HD2 ARG 9 2HD ARG 9 -0.346 -3.228 -10.314
62 HD3 ARG 9 1HD ARG 9 -1.582 -2.125 -10.913
63 HE ARG 9 HE ARG 9 1.165 -2.240 -11.764
64 HH11 ARG 9 1HH2 ARG 9 -1.584 -0.196 -11.271
65 HH12 ARG 9 2HH2 ARG 9 -1.103 0.970 -12.458
66 HH21 ARG 9 1HH1 ARG 9 1.799 -0.714 -13.330
67 HH22 ARG 9 2HH1 ARG 9 0.810 0.678 -13.622
68 H CYS 10 H CYS 10 0.361 -3.391 -6.243
69 HA CYS 10 HA CYS 10 2.910 -3.656 -4.774
70 HB2 CYS 10 2HB CYS 10 0.131 -4.609 -4.296
71 HB3 CYS 10 1HB CYS 10 1.449 -5.630 -3.734
72 H ALA 11 H ALA 11 2.931 -6.372 -4.353
73 HA ALA 11 HA ALA 11 3.854 -7.308 -6.942
74 HB1 ALA 11 1HB ALA 11 5.233 -8.603 -5.735
75 HB2 ALA 11 2HB ALA 11 3.893 -9.288 -4.815
76 HB3 ALA 11 3HB ALA 11 4.627 -7.767 -4.304
77 H THR 12 H THR 12 3.294 -9.510 -7.691
78 HA THR 12 HA THR 12 0.521 -9.779 -8.099
79 HB THR 12 HB THR 12 2.734 -11.811 -8.462
80 HG1 THR 12 1HG THR 12 2.669 -11.069 -10.579
81 HG21 THR 12 3HG2 THR 12 1.054 -12.775 -10.112
82 HG22 THR 12 1HG2 THR 12 -0.154 -11.739 -9.352
83 HG23 THR 12 2HG2 THR 12 0.654 -12.991 -8.408
84 H ARG 13 H ARG 13 2.748 -11.484 -5.936
85 HA ARG 13 HA ARG 13 0.975 -13.393 -4.914
86 HB2 ARG 13 2HB ARG 13 3.323 -11.989 -3.618
87 HB3 ARG 13 1HB ARG 13 2.489 -13.369 -2.906
88 HG2 ARG 13 2HG ARG 13 3.554 -13.517 -5.719
89 HG3 ARG 13 1HG ARG 13 4.616 -13.816 -4.343
90 HD2 ARG 13 2HD ARG 13 2.989 -15.533 -3.528
91 HD3 ARG 13 1HD ARG 13 2.052 -15.296 -4.998
92 HE ARG 13 HE ARG 13 4.751 -16.478 -4.844
93 HH11 ARG 13 1HH2 ARG 13 1.876 -15.672 -6.614
94 HH12 ARG 13 2HH2 ARG 13 2.270 -16.682 -7.964
95 HH21 ARG 13 1HH1 ARG 13 5.262 -17.790 -6.613
96 HH22 ARG 13 2HH1 ARG 13 4.183 -17.877 -7.966
97 H GLU 14 H GLU 14 1.319 -9.981 -4.248
98 HA GLU 14 HA GLU 14 -0.184 -9.985 -1.804
99 HB2 GLU 14 2HB GLU 14 -0.020 -7.545 -3.504
100 HB3 GLU 14 1HB GLU 14 0.183 -7.728 -1.761
101 HG2 GLU 14 2HG GLU 14 2.286 -9.188 -2.601
102 HG3 GLU 14 1HG GLU 14 2.170 -8.042 -3.934
103 H SER 15 H SER 15 -2.202 -8.557 -1.666
104 HA SER 15 HA SER 15 -3.944 -8.889 -4.013
105 HB2 SER 15 2HB SER 15 -5.750 -9.624 -2.327
106 HB3 SER 15 1HB SER 15 -4.550 -10.791 -2.843
107 HG SER 15 HG SER 15 -4.344 -10.987 -0.735
108 H LEU 16 H LEU 16 -5.198 -7.211 -4.371
109 HA LEU 16 HA LEU 16 -5.015 -4.905 -2.666
110 HB2 LEU 16 2HB LEU 16 -5.710 -5.395 -5.374
111 HB3 LEU 16 1HB LEU 16 -7.082 -4.586 -4.615
112 HG LEU 16 HG LEU 16 -5.430 -2.970 -5.551
113 HD11 LEU 16 1HD1 LEU 16 -6.215 -1.634 -3.921
114 HD12 LEU 16 2HD1 LEU 16 -4.951 -2.229 -2.844
115 HD13 LEU 16 3HD1 LEU 16 -6.518 -3.035 -2.894
116 HD21 LEU 16 3HD2 LEU 16 -3.558 -4.742 -4.519
117 HD22 LEU 16 1HD2 LEU 16 -3.475 -3.377 -3.404
118 HD23 LEU 16 2HD2 LEU 16 -3.210 -3.126 -5.130
119 H SER 17 H SER 17 -6.301 -4.334 -1.063
120 HA SER 17 HA SER 17 -8.862 -5.766 -0.729
121 HB2 SER 17 2HB SER 17 -8.636 -5.386 1.627
122 HB3 SER 17 1HB SER 17 -7.088 -5.994 1.052
123 HG SER 17 HG SER 17 -7.641 -3.233 1.156
124 H GLY 18 H GLY 18 -7.412 -2.673 -1.219
125 HA2 GLY 18 2HA GLY 18 -9.698 -1.304 -1.919
126 HA3 GLY 18 1HA GLY 18 -9.550 -1.076 -0.179
127 H VAL 19 H VAL 19 -9.430 1.199 -1.374
128 HA VAL 19 HA VAL 19 -6.648 1.842 -2.080
129 HB VAL 19 HB VAL 19 -8.046 2.866 -3.637
130 HG11 VAL 19 1HG1 VAL 19 -9.940 2.886 -1.358
131 HG12 VAL 19 2HG1 VAL 19 -10.241 2.582 -3.069
132 HG13 VAL 19 3HG1 VAL 19 -10.092 4.238 -2.479
133 HG21 VAL 19 3HG2 VAL 19 -8.091 5.024 -1.526
134 HG22 VAL 19 1HG2 VAL 19 -7.840 5.193 -3.263
135 HG23 VAL 19 2HG2 VAL 19 -6.573 4.498 -2.253
136 H CYS 20 H CYS 20 -5.339 2.515 -0.545
137 HA CYS 20 HA CYS 20 -6.265 3.324 2.065
138 HB2 CYS 20 2HB CYS 20 -3.630 2.873 0.737
139 HB3 CYS 20 1HB CYS 20 -3.676 3.805 2.233
140 H GLU 21 H GLU 21 -4.972 5.313 3.007
141 HA GLU 21 HA GLU 21 -4.858 7.553 1.122
142 HB2 GLU 21 2HB GLU 21 -7.190 7.517 1.912
143 HB3 GLU 21 1HB GLU 21 -6.622 7.561 3.582
144 HG2 GLU 21 2HG GLU 21 -5.520 9.723 3.156
145 HG3 GLU 21 1HG GLU 21 -6.078 9.682 1.485
146 H ILE 22 H ILE 22 -2.808 8.199 1.483
147 HA ILE 22 HA ILE 22 -2.017 8.712 4.286
148 HB ILE 22 HB ILE 22 -0.269 7.551 2.100
149 HG12 ILE 22 2HG1 ILE 22 -0.948 6.254 4.738
150 HG13 ILE 22 1HG1 ILE 22 -2.043 6.087 3.366
151 HG21 ILE 22 1HG2 ILE 22 0.764 7.478 4.812
152 HG22 ILE 22 2HG2 ILE 22 0.411 9.136 4.326
153 HG23 ILE 22 3HG2 ILE 22 1.506 8.149 3.359
154 HD11 ILE 22 3HD1 ILE 22 0.209 4.523 3.867
155 HD12 ILE 22 1HD1 ILE 22 0.731 5.632 2.598
156 HD13 ILE 22 2HD1 ILE 22 -0.683 4.609 2.347
157 H SER 23 H SER 23 -1.107 10.678 4.654
158 HA SER 23 HA SER 23 -0.417 12.837 4.256
159 HB2 SER 23 2HB SER 23 1.383 13.063 2.831
160 HB3 SER 23 1HB SER 23 1.362 11.311 3.009
161 HG SER 23 HG SER 23 0.610 11.110 1.021
162 H GLY 24 H GLY 24 -3.037 11.855 3.217
163 HA2 GLY 24 2HA GLY 24 -4.820 12.988 2.237
164 HA3 GLY 24 1HA GLY 24 -3.689 14.204 1.650
165 H ARG 25 H ARG 25 -2.226 11.498 0.765
166 HA ARG 25 HA ARG 25 -3.403 11.550 -1.919
167 HB2 ARG 25 2HB ARG 25 -1.037 11.942 -1.910
168 HB3 ARG 25 1HB ARG 25 -0.756 10.537 -0.887
169 HG2 ARG 25 2HG ARG 25 -1.609 9.059 -2.678
170 HG3 ARG 25 1HG ARG 25 -1.883 10.469 -3.701
171 HD2 ARG 25 2HD ARG 25 0.557 10.997 -3.539
172 HD3 ARG 25 1HD ARG 25 0.786 9.500 -2.640
173 HE ARG 25 HE ARG 25 -0.535 9.119 -5.182
174 HH11 ARG 25 1HH2 ARG 25 2.474 9.451 -3.509
175 HH12 ARG 25 2HH2 ARG 25 3.390 8.583 -4.694
176 HH21 ARG 25 1HH1 ARG 25 0.659 7.972 -6.742
177 HH22 ARG 25 2HH1 ARG 25 2.362 7.745 -6.525
178 H LEU 26 H LEU 26 -4.172 9.749 -2.935
179 HA LEU 26 HA LEU 26 -5.185 7.663 -1.263
180 HB2 LEU 26 2HB LEU 26 -6.260 6.845 -3.226
181 HB3 LEU 26 1HB LEU 26 -6.283 8.604 -3.357
182 HG LEU 26 HG LEU 26 -3.920 8.099 -4.562
183 HD11 LEU 26 1HD1 LEU 26 -3.836 6.071 -5.684
184 HD12 LEU 26 2HD1 LEU 26 -5.587 5.859 -5.646
185 HD13 LEU 26 3HD1 LEU 26 -4.630 5.568 -4.193
186 HD21 LEU 26 3HD2 LEU 26 -5.340 8.059 -6.733
187 HD22 LEU 26 1HD2 LEU 26 -5.519 9.446 -5.659
188 HD23 LEU 26 2HD2 LEU 26 -6.731 8.164 -5.653
189 H TYR 27 H TYR 27 -4.317 5.770 -0.767
190 HA TYR 27 HA TYR 27 -1.909 4.877 -2.233
191 HB2 TYR 27 2HB TYR 27 -2.607 4.853 0.657
192 HB3 TYR 27 1HB TYR 27 -1.636 3.538 0.001
193 HD1 TYR 27 1HD TYR 27 -1.808 7.269 -0.439
194 HD2 TYR 27 2HD TYR 27 0.631 3.798 0.193
195 HE1 TYR 27 1HE TYR 27 0.225 8.693 -0.433
196 HE2 TYR 27 2HE TYR 27 2.660 5.219 0.191
197 HH TYR 27 HH TYR 27 2.677 8.395 0.658
198 H ARG 28 H ARG 28 -1.607 2.520 -2.316
199 HA ARG 28 HA ARG 28 -4.208 1.184 -2.715
200 HB2 ARG 28 2HB ARG 28 -1.428 0.600 -3.765
201 HB3 ARG 28 1HB ARG 28 -2.800 -0.485 -3.996
202 HG2 ARG 28 2HG ARG 28 -4.036 1.287 -5.156
203 HG3 ARG 28 1HG ARG 28 -2.708 2.417 -4.879
204 HD2 ARG 28 2HD ARG 28 -1.206 1.019 -6.212
205 HD3 ARG 28 1HD ARG 28 -2.482 -0.171 -6.443
206 HE ARG 28 HE ARG 28 -3.711 1.776 -7.578
207 HH11 ARG 28 1HH2 ARG 28 -0.259 1.395 -7.506
208 HH12 ARG 28 2HH2 ARG 28 -0.006 2.258 -8.986
209 HH21 ARG 28 1HH1 ARG 28 -3.369 2.893 -9.513
210 HH22 ARG 28 2HH1 ARG 28 -1.760 3.100 -10.120
211 H LEU 29 H LEU 29 -4.799 -0.533 -1.490
212 HA LEU 29 HA LEU 29 -2.926 -1.387 0.614
213 HB2 LEU 29 2HB LEU 29 -5.085 -0.556 1.405
214 HB3 LEU 29 1HB LEU 29 -5.928 -1.709 0.371
215 HG LEU 29 HG LEU 29 -4.990 -3.587 1.609
216 HD11 LEU 29 1HD1 LEU 29 -3.305 -1.407 2.772
217 HD12 LEU 29 2HD1 LEU 29 -2.862 -3.058 2.335
218 HD13 LEU 29 3HD1 LEU 29 -3.747 -2.748 3.829
219 HD21 LEU 29 3HD2 LEU 29 -6.351 -3.363 3.476
220 HD22 LEU 29 1HD2 LEU 29 -6.954 -2.020 2.504
221 HD23 LEU 29 2HD2 LEU 29 -5.804 -1.719 3.808
222 H CYS 30 H CYS 30 -1.757 -3.123 0.000
223 HA CYS 30 HA CYS 30 -3.175 -5.273 -1.439
224 HB2 CYS 30 2HB CYS 30 -0.970 -5.996 -2.244
225 HB3 CYS 30 1HB CYS 30 -1.325 -4.347 -2.721
226 H CYS 31 H CYS 31 -2.908 -7.465 -0.712
227 HA CYS 31 HA CYS 31 -1.672 -7.670 1.962
228 HB2 CYS 31 2HB CYS 31 -4.160 -9.099 1.028
229 HB3 CYS 31 1HB CYS 31 -3.445 -9.168 2.626
230 H ARG 32 H ARG 32 -0.277 -9.316 2.239
231 HA ARG 32 HA ARG 32 -0.253 -11.466 0.224
232 HB2 ARG 32 2HB ARG 32 2.177 -11.326 0.083
233 HB3 ARG 32 1HB ARG 32 1.441 -9.787 -0.371
234 HG2 ARG 32 2HG ARG 32 1.715 -9.307 2.237
235 HG3 ARG 32 1HG ARG 32 3.015 -10.488 2.065
236 HD2 ARG 32 2HD ARG 32 2.710 -8.125 0.214
237 HD3 ARG 32 1HD ARG 32 3.668 -8.049 1.690
238 HE ARG 32 HE ARG 32 4.474 -10.295 0.160
239 HH11 ARG 32 1HH2 ARG 32 4.538 -6.833 0.193
240 HH12 ARG 32 2HH2 ARG 32 6.008 -6.713 -0.716
241 HH21 ARG 32 1HH1 ARG 32 6.409 -10.141 -1.032
242 HH22 ARG 32 2HH1 ARG 32 7.066 -8.583 -1.408
Start of MODEL 2
1 H1 ALA 1 1HT ALA 1 -3.175 -13.398 5.263
2 H2 ALA 1 2HT ALA 1 -1.946 -13.274 6.429
3 H3 ALA 1 3HT ALA 1 -1.812 -14.405 5.168
4 HA ALA 1 HA ALA 1 -0.496 -12.823 4.274
5 HB1 ALA 1 2HB ALA 1 -2.499 -13.048 2.812
6 HB2 ALA 1 3HB ALA 1 -1.777 -11.441 2.711
7 HB3 ALA 1 1HB ALA 1 -3.242 -11.691 3.659
8 H THR 2 H THR 2 -0.172 -10.345 3.928
9 HA THR 2 HA THR 2 -0.780 -8.942 6.458
10 HB THR 2 HB THR 2 1.760 -8.807 4.814
11 HG1 THR 2 1HG THR 2 1.836 -9.561 7.449
12 HG21 THR 2 3HG2 THR 2 2.058 -7.679 7.395
13 HG22 THR 2 1HG2 THR 2 0.588 -6.989 6.707
14 HG23 THR 2 2HG2 THR 2 2.118 -6.846 5.841
15 H CYS 3 H CYS 3 -2.219 -7.449 5.990
16 HA CYS 3 HA CYS 3 -2.287 -6.139 3.401
17 HB2 CYS 3 2HB CYS 3 -3.975 -5.799 5.888
18 HB3 CYS 3 1HB CYS 3 -4.260 -4.984 4.354
19 H TYR 4 H TYR 4 -1.591 -4.117 2.952
20 HA TYR 4 HA TYR 4 -1.136 -2.137 4.989
21 HB2 TYR 4 2HB TYR 4 1.291 -1.920 4.645
22 HB3 TYR 4 1HB TYR 4 0.886 -3.507 5.300
23 HD1 TYR 4 2HD TYR 4 1.889 -1.659 2.256
24 HD2 TYR 4 1HD TYR 4 1.170 -5.518 3.998
25 HE1 TYR 4 2HE TYR 4 2.971 -2.742 0.306
26 HE2 TYR 4 1HE TYR 4 2.251 -6.602 2.049
27 HH TYR 4 HH TYR 4 2.861 -6.192 -0.177
28 H CYS 5 H CYS 5 -0.606 -0.063 4.101
29 HA CYS 5 HA CYS 5 -1.451 0.183 1.321
30 HB2 CYS 5 2HB CYS 5 -0.751 2.493 3.098
31 HB3 CYS 5 1HB CYS 5 -1.898 2.406 1.792
32 H ARG 6 H ARG 6 -0.196 1.002 -0.314
33 HA ARG 6 HA ARG 6 2.566 1.800 0.321
34 HB2 ARG 6 2HB ARG 6 3.451 0.396 -1.466
35 HB3 ARG 6 1HB ARG 6 2.575 -0.604 -0.307
36 HG2 ARG 6 2HG ARG 6 0.917 -1.108 -1.786
37 HG3 ARG 6 1HG ARG 6 0.975 0.467 -2.569
38 HD2 ARG 6 2HD ARG 6 1.796 -1.421 -4.011
39 HD3 ARG 6 1HD ARG 6 2.968 -0.127 -3.787
40 HE ARG 6 HE ARG 6 3.200 -2.317 -1.891
41 HH11 ARG 6 1HH2 ARG 6 4.116 -0.968 -4.944
42 HH12 ARG 6 2HH2 ARG 6 5.587 -1.875 -5.058
43 HH21 ARG 6 1HH1 ARG 6 5.123 -3.510 -2.037
44 HH22 ARG 6 2HH1 ARG 6 6.159 -3.312 -3.411
45 H THR 7 H THR 7 3.557 3.137 -1.271
46 HA THR 7 HA THR 7 1.658 4.771 -2.729
47 HB THR 7 HB THR 7 3.264 6.178 -1.912
48 HG1 THR 7 1HG THR 7 4.436 6.819 -3.589
49 HG21 THR 7 3HG2 THR 7 5.760 5.341 -1.919
50 HG22 THR 7 1HG2 THR 7 5.016 3.751 -2.076
51 HG23 THR 7 2HG2 THR 7 4.643 4.764 -0.682
52 H GLY 8 H GLY 8 0.978 3.003 -4.178
53 HA2 GLY 8 2HA GLY 8 1.316 3.056 -6.709
54 HA3 GLY 8 1HA GLY 8 2.927 2.453 -6.333
55 H ARG 9 H ARG 9 1.959 0.752 -7.881
56 HA ARG 9 HA ARG 9 0.041 -1.094 -6.838
57 HB2 ARG 9 2HB ARG 9 1.835 -0.978 -9.197
58 HB3 ARG 9 1HB ARG 9 1.298 -2.577 -8.683
59 HG2 ARG 9 2HG ARG 9 -1.076 -1.521 -8.606
60 HG3 ARG 9 1HG ARG 9 -0.371 -0.235 -9.589
61 HD2 ARG 9 2HD ARG 9 -0.284 -3.181 -10.253
62 HD3 ARG 9 1HD ARG 9 -1.402 -2.023 -10.965
63 HE ARG 9 HE ARG 9 0.906 -0.869 -11.594
64 HH11 ARG 9 1HH2 ARG 9 -0.007 -4.210 -11.618
65 HH12 ARG 9 2HH2 ARG 9 1.066 -4.635 -12.909
66 HH21 ARG 9 1HH1 ARG 9 2.314 -1.423 -13.285
67 HH22 ARG 9 2HH1 ARG 9 2.379 -3.057 -13.853
68 H CYS 10 H CYS 10 0.428 -3.292 -6.242
69 HA CYS 10 HA CYS 10 2.953 -3.593 -4.739
70 HB2 CYS 10 2HB CYS 10 0.162 -4.580 -4.328
71 HB3 CYS 10 1HB CYS 10 1.498 -5.548 -3.707
72 H ALA 11 H ALA 11 2.976 -6.298 -4.337
73 HA ALA 11 HA ALA 11 3.946 -7.238 -6.898
74 HB1 ALA 11 1HB ALA 11 4.570 -7.763 -4.228
75 HB2 ALA 11 2HB ALA 11 5.238 -8.576 -5.644
76 HB3 ALA 11 3HB ALA 11 3.836 -9.256 -4.816
77 H THR 12 H THR 12 3.322 -9.324 -7.793
78 HA THR 12 HA THR 12 0.556 -9.527 -8.240
79 HB THR 12 HB THR 12 2.723 -11.599 -8.678
80 HG1 THR 12 1HG THR 12 2.819 -9.463 -9.738
81 HG21 THR 12 3HG2 THR 12 0.617 -12.722 -8.761
82 HG22 THR 12 1HG2 THR 12 1.055 -12.391 -10.437
83 HG23 THR 12 2HG2 THR 12 -0.138 -11.381 -9.622
84 H ARG 13 H ARG 13 2.712 -11.351 -6.117
85 HA ARG 13 HA ARG 13 0.883 -13.273 -5.218
86 HB2 ARG 13 2HB ARG 13 3.207 -11.981 -3.771
87 HB3 ARG 13 1HB ARG 13 2.363 -13.428 -3.221
88 HG2 ARG 13 2HG ARG 13 3.591 -13.253 -5.975
89 HG3 ARG 13 1HG ARG 13 4.519 -13.790 -4.576
90 HD2 ARG 13 2HD ARG 13 2.719 -15.511 -4.154
91 HD3 ARG 13 1HD ARG 13 2.004 -15.051 -5.695
92 HE ARG 13 HE ARG 13 4.818 -15.875 -5.705
93 HH11 ARG 13 1HH2 ARG 13 1.477 -16.540 -6.323
94 HH12 ARG 13 2HH2 ARG 13 1.797 -17.870 -7.385
95 HH21 ARG 13 1HH1 ARG 13 5.244 -17.618 -7.090
96 HH22 ARG 13 2HH1 ARG 13 3.930 -18.482 -7.819
97 H GLU 14 H GLU 14 1.344 -9.921 -4.329
98 HA GLU 14 HA GLU 14 -0.199 -10.004 -1.928
99 HB2 GLU 14 2HB GLU 14 0.006 -7.488 -3.522
100 HB3 GLU 14 1HB GLU 14 0.188 -7.746 -1.784
101 HG2 GLU 14 2HG GLU 14 2.287 -9.173 -2.606
102 HG3 GLU 14 1HG GLU 14 2.186 -8.048 -3.958
103 H SER 15 H SER 15 -2.235 -8.702 -1.676
104 HA SER 15 HA SER 15 -3.989 -8.913 -4.039
105 HB2 SER 15 2HB SER 15 -5.774 -9.679 -2.385
106 HB3 SER 15 1HB SER 15 -4.546 -10.830 -2.872
107 HG SER 15 HG SER 15 -5.110 -10.394 -0.485
108 H LEU 16 H LEU 16 -5.258 -7.235 -4.349
109 HA LEU 16 HA LEU 16 -5.030 -4.949 -2.607
110 HB2 LEU 16 2HB LEU 16 -5.674 -5.353 -5.318
111 HB3 LEU 16 1HB LEU 16 -7.115 -4.653 -4.579
112 HG LEU 16 HG LEU 16 -5.586 -2.887 -5.383
113 HD11 LEU 16 1HD1 LEU 16 -5.083 -2.177 -2.720
114 HD12 LEU 16 2HD1 LEU 16 -6.502 -3.221 -2.642
115 HD13 LEU 16 3HD1 LEU 16 -6.524 -1.779 -3.656
116 HD21 LEU 16 3HD2 LEU 16 -3.529 -3.124 -3.388
117 HD22 LEU 16 1HD2 LEU 16 -3.356 -3.105 -5.142
118 HD23 LEU 16 2HD2 LEU 16 -3.614 -4.632 -4.298
119 H SER 17 H SER 17 -6.337 -4.363 -1.004
120 HA SER 17 HA SER 17 -8.885 -5.826 -0.695
121 HB2 SER 17 2HB SER 17 -8.678 -5.471 1.666
122 HB3 SER 17 1HB SER 17 -7.127 -6.068 1.089
123 HG SER 17 HG SER 17 -6.822 -4.283 2.410
124 H GLY 18 H GLY 18 -7.455 -2.708 -1.114
125 HA2 GLY 18 2HA GLY 18 -9.766 -1.365 -1.815
126 HA3 GLY 18 1HA GLY 18 -9.603 -1.134 -0.075
127 H VAL 19 H VAL 19 -9.505 1.144 -1.270
128 HA VAL 19 HA VAL 19 -6.737 1.803 -2.015
129 HB VAL 19 HB VAL 19 -8.142 2.864 -3.540
130 HG11 VAL 19 1HG1 VAL 19 -10.047 3.160 -1.207
131 HG12 VAL 19 2HG1 VAL 19 -10.282 2.229 -2.686
132 HG13 VAL 19 3HG1 VAL 19 -10.304 3.992 -2.742
133 HG21 VAL 19 3HG2 VAL 19 -8.087 5.201 -3.064
134 HG22 VAL 19 1HG2 VAL 19 -6.731 4.514 -2.167
135 HG23 VAL 19 2HG2 VAL 19 -8.228 4.921 -1.328
136 H CYS 20 H CYS 20 -5.398 2.645 -0.575
137 HA CYS 20 HA CYS 20 -6.331 3.428 2.071
138 HB2 CYS 20 2HB CYS 20 -3.705 2.869 0.775
139 HB3 CYS 20 1HB CYS 20 -3.741 3.797 2.273
140 H GLU 21 H GLU 21 -5.035 5.385 3.007
141 HA GLU 21 HA GLU 21 -4.831 7.587 1.078
142 HB2 GLU 21 2HB GLU 21 -7.150 7.656 1.895
143 HB3 GLU 21 1HB GLU 21 -6.568 7.680 3.561
144 HG2 GLU 21 2HG GLU 21 -5.375 9.792 3.117
145 HG3 GLU 21 1HG GLU 21 -5.955 9.770 1.452
146 H ILE 22 H ILE 22 -2.788 8.229 1.388
147 HA ILE 22 HA ILE 22 -1.918 8.752 4.161
148 HB ILE 22 HB ILE 22 -0.243 7.509 1.968
149 HG12 ILE 22 2HG1 ILE 22 -0.989 6.304 4.642
150 HG13 ILE 22 1HG1 ILE 22 -2.007 6.077 3.221
151 HG21 ILE 22 1HG2 ILE 22 1.305 8.737 3.194
152 HG22 ILE 22 2HG2 ILE 22 1.263 7.248 4.140
153 HG23 ILE 22 3HG2 ILE 22 0.348 8.657 4.674
154 HD11 ILE 22 3HD1 ILE 22 0.199 4.535 3.907
155 HD12 ILE 22 1HD1 ILE 22 0.809 5.597 2.637
156 HD13 ILE 22 2HD1 ILE 22 -0.596 4.569 2.333
157 H SER 23 H SER 23 -0.951 10.697 4.471
158 HA SER 23 HA SER 23 -0.223 12.831 4.021
159 HB2 SER 23 2HB SER 23 1.541 13.001 2.547
160 HB3 SER 23 1HB SER 23 1.488 11.254 2.747
161 HG SER 23 HG SER 23 0.822 11.058 0.755
162 H GLY 24 H GLY 24 -2.889 11.890 3.068
163 HA2 GLY 24 2HA GLY 24 -4.673 13.066 2.141
164 HA3 GLY 24 1HA GLY 24 -3.528 14.227 1.475
165 H ARG 25 H ARG 25 -2.126 11.535 0.545
166 HA ARG 25 HA ARG 25 -3.471 11.520 -2.057
167 HB2 ARG 25 2HB ARG 25 -1.057 11.907 -2.070
168 HB3 ARG 25 1HB ARG 25 -0.797 10.390 -1.213
169 HG2 ARG 25 2HG ARG 25 -1.739 9.127 -3.074
170 HG3 ARG 25 1HG ARG 25 -2.145 10.621 -3.919
171 HD2 ARG 25 2HD ARG 25 0.666 9.837 -3.132
172 HD3 ARG 25 1HD ARG 25 -0.023 9.535 -4.721
173 HE ARG 25 HE ARG 25 -0.387 12.107 -4.683
174 HH11 ARG 25 1HH2 ARG 25 2.236 10.362 -3.234
175 HH12 ARG 25 2HH2 ARG 25 3.359 11.671 -3.375
176 HH21 ARG 25 1HH1 ARG 25 1.091 13.818 -4.873
177 HH22 ARG 25 2HH1 ARG 25 2.715 13.623 -4.303
178 H LEU 26 H LEU 26 -4.175 9.631 -3.052
179 HA LEU 26 HA LEU 26 -5.170 7.621 -1.257
180 HB2 LEU 26 2HB LEU 26 -5.252 7.945 -4.256
181 HB3 LEU 26 1HB LEU 26 -5.951 6.553 -3.431
182 HG LEU 26 HG LEU 26 -6.657 9.431 -2.794
183 HD11 LEU 26 1HD1 LEU 26 -7.681 7.512 -4.815
184 HD12 LEU 26 2HD1 LEU 26 -7.727 9.275 -4.814
185 HD13 LEU 26 3HD1 LEU 26 -8.905 8.361 -3.870
186 HD21 LEU 26 3HD2 LEU 26 -7.217 6.834 -1.584
187 HD22 LEU 26 1HD2 LEU 26 -8.696 7.694 -2.013
188 HD23 LEU 26 2HD2 LEU 26 -7.513 8.450 -0.945
189 H TYR 27 H TYR 27 -4.347 5.688 -0.783
190 HA TYR 27 HA TYR 27 -1.929 4.785 -2.224
191 HB2 TYR 27 2HB TYR 27 -2.634 4.791 0.665
192 HB3 TYR 27 1HB TYR 27 -1.667 3.461 0.026
193 HD1 TYR 27 2HD TYR 27 -1.818 7.170 -0.593
194 HD2 TYR 27 1HD TYR 27 0.605 3.744 0.325
195 HE1 TYR 27 2HE TYR 27 0.214 8.593 -0.601
196 HE2 TYR 27 1HE TYR 27 2.632 5.171 0.308
197 HH TYR 27 HH TYR 27 2.870 8.021 0.752
198 H ARG 28 H ARG 28 -1.612 2.410 -2.226
199 HA ARG 28 HA ARG 28 -4.212 1.076 -2.657
200 HB2 ARG 28 2HB ARG 28 -1.421 0.455 -3.675
201 HB3 ARG 28 1HB ARG 28 -2.821 -0.581 -3.954
202 HG2 ARG 28 2HG ARG 28 -2.897 0.716 -5.871
203 HG3 ARG 28 1HG ARG 28 -3.902 1.692 -4.802
204 HD2 ARG 28 2HD ARG 28 -1.955 3.073 -4.210
205 HD3 ARG 28 1HD ARG 28 -0.930 2.089 -5.251
206 HE ARG 28 HE ARG 28 -1.824 3.191 -7.100
207 HH11 ARG 28 1HH2 ARG 28 -3.670 3.807 -4.239
208 HH12 ARG 28 2HH2 ARG 28 -4.637 5.048 -4.964
209 HH21 ARG 28 1HH1 ARG 28 -3.088 4.817 -8.057
210 HH22 ARG 28 2HH1 ARG 28 -4.307 5.620 -7.125
211 H LEU 29 H LEU 29 -4.816 -0.602 -1.402
212 HA LEU 29 HA LEU 29 -2.951 -1.467 0.707
213 HB2 LEU 29 2HB LEU 29 -5.097 -0.623 1.485
214 HB3 LEU 29 1HB LEU 29 -5.951 -1.768 0.451
215 HG LEU 29 HG LEU 29 -5.043 -3.655 1.699
216 HD11 LEU 29 1HD1 LEU 29 -3.346 -1.480 2.877
217 HD12 LEU 29 2HD1 LEU 29 -2.887 -3.109 2.378
218 HD13 LEU 29 3HD1 LEU 29 -3.759 -2.863 3.891
219 HD21 LEU 29 3HD2 LEU 29 -5.852 -1.669 3.821
220 HD22 LEU 29 1HD2 LEU 29 -6.304 -3.365 3.673
221 HD23 LEU 29 2HD2 LEU 29 -7.014 -2.163 2.593
222 H CYS 30 H CYS 30 -1.739 -3.112 -0.071
223 HA CYS 30 HA CYS 30 -3.146 -5.312 -1.440
224 HB2 CYS 30 2HB CYS 30 -0.924 -5.993 -2.243
225 HB3 CYS 30 1HB CYS 30 -1.317 -4.362 -2.734
226 H CYS 31 H CYS 31 -2.962 -7.467 -0.664
227 HA CYS 31 HA CYS 31 -1.660 -7.679 1.984
228 HB2 CYS 31 2HB CYS 31 -4.087 -9.174 1.007
229 HB3 CYS 31 1HB CYS 31 -3.405 -9.221 2.620
230 H ARG 32 H ARG 32 -0.192 -9.261 2.230
231 HA ARG 32 HA ARG 32 -0.143 -11.489 0.315
232 HB2 ARG 32 2HB ARG 32 2.169 -11.194 -0.202
233 HB3 ARG 32 1HB ARG 32 1.383 -9.639 -0.473
234 HG2 ARG 32 2HG ARG 32 2.035 -9.312 2.105
235 HG3 ARG 32 1HG ARG 32 3.312 -10.442 1.650
236 HD2 ARG 32 2HD ARG 32 3.890 -8.977 -0.267
237 HD3 ARG 32 1HD ARG 32 2.658 -7.834 0.262
238 HE ARG 32 HE ARG 32 4.131 -7.974 2.473
239 HH11 ARG 32 1HH2 ARG 32 5.088 -7.837 -0.852
240 HH12 ARG 32 2HH2 ARG 32 6.586 -7.029 -0.528
241 HH21 ARG 32 1HH1 ARG 32 6.097 -6.918 2.900
242 HH22 ARG 32 2HH1 ARG 32 7.158 -6.510 1.594
Start of MODEL 3
1 H1 ALA 1 1HT ALA 1 -2.878 -13.969 5.174
2 H2 ALA 1 2HT ALA 1 -2.322 -13.124 6.539
3 H3 ALA 1 3HT ALA 1 -1.344 -14.306 5.811
4 HA ALA 1 HA ALA 1 -0.503 -12.872 4.364
5 HB1 ALA 1 2HB ALA 1 -1.880 -11.675 2.823
6 HB2 ALA 1 3HB ALA 1 -3.244 -11.665 3.943
7 HB3 ALA 1 1HB ALA 1 -2.747 -13.171 3.172
8 H THR 2 H THR 2 -0.171 -10.436 4.054
9 HA THR 2 HA THR 2 -0.736 -9.003 6.573
10 HB THR 2 HB THR 2 1.795 -8.978 4.907
11 HG1 THR 2 1HG THR 2 1.130 -10.642 6.660
12 HG21 THR 2 3HG2 THR 2 0.657 -7.018 6.717
13 HG22 THR 2 1HG2 THR 2 2.102 -6.903 5.713
14 HG23 THR 2 2HG2 THR 2 2.201 -7.619 7.321
15 H CYS 3 H CYS 3 -2.153 -7.483 6.118
16 HA CYS 3 HA CYS 3 -2.248 -6.222 3.505
17 HB2 CYS 3 2HB CYS 3 -3.906 -5.892 6.012
18 HB3 CYS 3 1HB CYS 3 -4.180 -4.989 4.524
19 H TYR 4 H TYR 4 -1.545 -4.216 3.004
20 HA TYR 4 HA TYR 4 -1.035 -2.202 4.990
21 HB2 TYR 4 2HB TYR 4 1.379 -2.024 4.648
22 HB3 TYR 4 1HB TYR 4 0.972 -3.620 5.278
23 HD1 TYR 4 2HD TYR 4 1.940 -1.726 2.251
24 HD2 TYR 4 1HD TYR 4 1.253 -5.613 3.945
25 HE1 TYR 4 2HE TYR 4 3.002 -2.777 0.271
26 HE2 TYR 4 1HE TYR 4 2.314 -6.665 1.965
27 HH TYR 4 HH TYR 4 4.227 -5.067 -0.156
28 H CYS 5 H CYS 5 -0.601 -0.156 4.067
29 HA CYS 5 HA CYS 5 -1.399 0.024 1.271
30 HB2 CYS 5 2HB CYS 5 -0.809 2.387 3.018
31 HB3 CYS 5 1HB CYS 5 -1.932 2.231 1.684
32 H ARG 6 H ARG 6 -0.189 1.049 -0.331
33 HA ARG 6 HA ARG 6 2.564 1.835 0.333
34 HB2 ARG 6 2HB ARG 6 3.499 0.488 -1.461
35 HB3 ARG 6 1HB ARG 6 2.600 -0.562 -0.368
36 HG2 ARG 6 2HG ARG 6 0.914 -0.944 -1.886
37 HG3 ARG 6 1HG ARG 6 1.141 0.597 -2.710
38 HD2 ARG 6 2HD ARG 6 3.145 -1.665 -2.802
39 HD3 ARG 6 1HD ARG 6 1.902 -1.404 -4.023
40 HE ARG 6 HE ARG 6 3.152 1.005 -3.902
41 HH11 ARG 6 1HH2 ARG 6 4.217 -2.271 -4.224
42 HH12 ARG 6 2HH2 ARG 6 5.613 -1.872 -5.166
43 HH21 ARG 6 1HH1 ARG 6 4.985 1.538 -5.138
44 HH22 ARG 6 2HH1 ARG 6 6.050 0.285 -5.683
45 H THR 7 H THR 7 3.590 3.111 -1.359
46 HA THR 7 HA THR 7 1.670 4.821 -2.716
47 HB THR 7 HB THR 7 3.739 5.645 -1.484
48 HG1 THR 7 1HG THR 7 4.237 6.842 -3.735
49 HG21 THR 7 3HG2 THR 7 5.824 5.123 -2.205
50 HG22 THR 7 1HG2 THR 7 5.368 5.250 -3.904
51 HG23 THR 7 2HG2 THR 7 5.031 3.767 -3.009
52 H GLY 8 H GLY 8 1.011 2.887 -4.083
53 HA2 GLY 8 2HA GLY 8 1.221 3.018 -6.652
54 HA3 GLY 8 1HA GLY 8 2.858 2.446 -6.343
55 H ARG 9 H ARG 9 1.696 0.780 -7.912
56 HA ARG 9 HA ARG 9 -0.099 -1.118 -6.840
57 HB2 ARG 9 2HB ARG 9 0.318 -0.834 -9.249
58 HB3 ARG 9 1HB ARG 9 1.943 -1.490 -9.031
59 HG2 ARG 9 2HG ARG 9 1.041 -3.593 -8.220
60 HG3 ARG 9 1HG ARG 9 -0.600 -2.945 -8.270
61 HD2 ARG 9 2HD ARG 9 -0.438 -2.660 -10.681
62 HD3 ARG 9 1HD ARG 9 1.222 -3.237 -10.660
63 HE ARG 9 HE ARG 9 0.405 -5.440 -10.191
64 HH11 ARG 9 1HH2 ARG 9 -2.058 -3.048 -10.675
65 HH12 ARG 9 2HH2 ARG 9 -3.317 -4.205 -10.943
66 HH21 ARG 9 1HH1 ARG 9 -1.251 -6.956 -10.540
67 HH22 ARG 9 2HH1 ARG 9 -2.862 -6.414 -10.866
68 H CYS 10 H CYS 10 0.374 -3.355 -6.320
69 HA CYS 10 HA CYS 10 2.920 -3.602 -4.835
70 HB2 CYS 10 2HB CYS 10 0.148 -4.608 -4.343
71 HB3 CYS 10 1HB CYS 10 1.511 -5.550 -3.736
72 H ALA 11 H ALA 11 2.910 -6.332 -4.420
73 HA ALA 11 HA ALA 11 3.826 -7.260 -7.015
74 HB1 ALA 11 1HB ALA 11 4.426 -7.840 -4.290
75 HB2 ALA 11 2HB ALA 11 5.244 -8.429 -5.738
76 HB3 ALA 11 3HB ALA 11 3.893 -9.335 -5.056
77 H THR 12 H THR 12 3.191 -9.353 -7.879
78 HA THR 12 HA THR 12 0.410 -9.595 -8.211
79 HB THR 12 HB THR 12 2.605 -11.612 -8.749
80 HG1 THR 12 1HG THR 12 1.346 -10.332 -10.810
81 HG21 THR 12 3HG2 THR 12 0.666 -12.908 -8.793
82 HG22 THR 12 1HG2 THR 12 0.766 -12.353 -10.464
83 HG23 THR 12 2HG2 THR 12 -0.338 -11.565 -9.338
84 H ARG 13 H ARG 13 2.679 -11.384 -6.169
85 HA ARG 13 HA ARG 13 0.926 -13.341 -5.204
86 HB2 ARG 13 2HB ARG 13 3.282 -11.989 -3.866
87 HB3 ARG 13 1HB ARG 13 2.471 -13.420 -3.232
88 HG2 ARG 13 2HG ARG 13 3.459 -13.403 -6.070
89 HG3 ARG 13 1HG ARG 13 4.588 -13.717 -4.752
90 HD2 ARG 13 2HD ARG 13 2.015 -15.243 -5.248
91 HD3 ARG 13 1HD ARG 13 3.630 -15.817 -5.650
92 HE ARG 13 HE ARG 13 2.437 -15.726 -3.012
93 HH11 ARG 13 1HH2 ARG 13 5.343 -15.766 -4.890
94 HH12 ARG 13 2HH2 ARG 13 6.315 -16.438 -3.623
95 HH21 ARG 13 1HH1 ARG 13 3.707 -16.607 -1.347
96 HH22 ARG 13 2HH1 ARG 13 5.390 -16.913 -1.618
97 H GLU 14 H GLU 14 1.329 -9.970 -4.346
98 HA GLU 14 HA GLU 14 -0.144 -10.073 -1.904
99 HB2 GLU 14 2HB GLU 14 -0.036 -7.573 -3.528
100 HB3 GLU 14 1HB GLU 14 0.172 -7.803 -1.792
101 HG2 GLU 14 2HG GLU 14 2.289 -9.211 -2.674
102 HG3 GLU 14 1HG GLU 14 2.156 -8.030 -3.977
103 H SER 15 H SER 15 -2.181 -8.640 -1.687
104 HA SER 15 HA SER 15 -3.992 -9.012 -3.980
105 HB2 SER 15 2HB SER 15 -5.735 -9.709 -2.242
106 HB3 SER 15 1HB SER 15 -4.519 -10.874 -2.731
107 HG SER 15 HG SER 15 -5.024 -10.285 -0.329
108 H LEU 16 H LEU 16 -5.241 -7.338 -4.351
109 HA LEU 16 HA LEU 16 -5.006 -4.991 -2.692
110 HB2 LEU 16 2HB LEU 16 -5.728 -5.517 -5.387
111 HB3 LEU 16 1HB LEU 16 -7.091 -4.692 -4.632
112 HG LEU 16 HG LEU 16 -5.435 -3.100 -5.610
113 HD11 LEU 16 1HD1 LEU 16 -4.932 -2.163 -3.042
114 HD12 LEU 16 2HD1 LEU 16 -6.367 -3.169 -2.839
115 HD13 LEU 16 3HD1 LEU 16 -6.381 -1.835 -3.992
116 HD21 LEU 16 3HD2 LEU 16 -3.557 -4.849 -4.611
117 HD22 LEU 16 1HD2 LEU 16 -3.493 -3.534 -3.434
118 HD23 LEU 16 2HD2 LEU 16 -3.211 -3.204 -5.144
119 H SER 17 H SER 17 -6.325 -4.305 -1.133
120 HA SER 17 HA SER 17 -8.866 -5.765 -0.748
121 HB2 SER 17 2HB SER 17 -8.660 -5.260 1.604
122 HB3 SER 17 1HB SER 17 -7.136 -5.951 1.056
123 HG SER 17 HG SER 17 -7.790 -3.314 1.736
124 H GLY 18 H GLY 18 -7.386 -2.619 -1.085
125 HA2 GLY 18 2HA GLY 18 -9.673 -1.302 -1.959
126 HA3 GLY 18 1HA GLY 18 -9.592 -1.048 -0.217
127 H VAL 19 H VAL 19 -9.445 1.215 -1.440
128 HA VAL 19 HA VAL 19 -6.642 1.869 -2.052
129 HB VAL 19 HB VAL 19 -7.971 2.868 -3.683
130 HG11 VAL 19 1HG1 VAL 19 -10.184 2.477 -3.176
131 HG12 VAL 19 2HG1 VAL 19 -10.119 4.182 -2.728
132 HG13 VAL 19 3HG1 VAL 19 -9.987 2.937 -1.485
133 HG21 VAL 19 3HG2 VAL 19 -6.653 4.534 -2.099
134 HG22 VAL 19 1HG2 VAL 19 -8.277 5.086 -1.692
135 HG23 VAL 19 2HG2 VAL 19 -7.715 5.154 -3.363
136 H CYS 20 H CYS 20 -5.405 2.538 -0.429
137 HA CYS 20 HA CYS 20 -6.487 3.428 2.090
138 HB2 CYS 20 2HB CYS 20 -3.726 3.100 0.956
139 HB3 CYS 20 1HB CYS 20 -3.979 3.854 2.529
140 H GLU 21 H GLU 21 -4.663 5.407 2.815
141 HA GLU 21 HA GLU 21 -4.671 7.577 0.928
142 HB2 GLU 21 2HB GLU 21 -7.050 7.581 1.658
143 HB3 GLU 21 1HB GLU 21 -6.513 7.790 3.326
144 HG2 GLU 21 2HG GLU 21 -5.400 9.893 2.723
145 HG3 GLU 21 1HG GLU 21 -5.885 9.682 1.041
146 H ILE 22 H ILE 22 -2.639 8.205 1.330
147 HA ILE 22 HA ILE 22 -1.902 8.760 4.145
148 HB ILE 22 HB ILE 22 0.110 7.995 2.051
149 HG12 ILE 22 2HG1 ILE 22 -1.671 6.215 2.213
150 HG13 ILE 22 1HG1 ILE 22 -0.073 5.673 2.724
151 HG21 ILE 22 1HG2 ILE 22 -0.001 7.881 5.074
152 HG22 ILE 22 2HG2 ILE 22 0.978 8.974 4.094
153 HG23 ILE 22 3HG2 ILE 22 1.329 7.245 4.108
154 HD11 ILE 22 3HD1 ILE 22 -2.254 6.646 4.579
155 HD12 ILE 22 1HD1 ILE 22 -0.673 6.042 5.065
156 HD13 ILE 22 2HD1 ILE 22 -1.836 4.956 4.303
157 H SER 23 H SER 23 -1.061 10.728 4.578
158 HA SER 23 HA SER 23 -0.483 12.931 4.262
159 HB2 SER 23 2HB SER 23 0.854 13.228 1.976
160 HB3 SER 23 1HB SER 23 1.575 12.446 3.380
161 HG SER 23 HG SER 23 0.632 11.359 0.989
162 H GLY 24 H GLY 24 -3.029 11.825 3.117
163 HA2 GLY 24 2HA GLY 24 -4.855 12.993 2.224
164 HA3 GLY 24 1HA GLY 24 -3.742 14.197 1.580
165 H ARG 25 H ARG 25 -2.149 11.701 0.603
166 HA ARG 25 HA ARG 25 -3.426 11.634 -2.011
167 HB2 ARG 25 2HB ARG 25 -0.987 11.995 -1.842
168 HB3 ARG 25 1HB ARG 25 -0.820 10.412 -1.088
169 HG2 ARG 25 2HG ARG 25 -1.663 9.308 -3.077
170 HG3 ARG 25 1HG ARG 25 -2.033 10.860 -3.830
171 HD2 ARG 25 2HD ARG 25 0.066 10.041 -4.736
172 HD3 ARG 25 1HD ARG 25 0.395 11.438 -3.718
173 HE ARG 25 HE ARG 25 0.602 9.039 -2.198
174 HH11 ARG 25 1HH2 ARG 25 2.169 10.927 -4.641
175 HH12 ARG 25 2HH2 ARG 25 3.761 10.375 -4.241
176 HH21 ARG 25 1HH1 ARG 25 2.687 8.312 -1.668
177 HH22 ARG 25 2HH1 ARG 25 4.055 8.895 -2.558
178 H LEU 26 H LEU 26 -3.920 9.687 -3.122
179 HA LEU 26 HA LEU 26 -5.114 7.700 -1.400
180 HB2 LEU 26 2HB LEU 26 -4.968 8.038 -4.395
181 HB3 LEU 26 1HB LEU 26 -5.741 6.650 -3.631
182 HG LEU 26 HG LEU 26 -6.465 9.512 -2.963
183 HD11 LEU 26 1HD1 LEU 26 -7.795 7.598 -4.906
184 HD12 LEU 26 2HD1 LEU 26 -6.944 9.082 -5.340
185 HD13 LEU 26 3HD1 LEU 26 -8.443 9.163 -4.413
186 HD21 LEU 26 3HD2 LEU 26 -8.576 7.641 -2.587
187 HD22 LEU 26 1HD2 LEU 26 -7.676 8.512 -1.346
188 HD23 LEU 26 2HD2 LEU 26 -7.124 6.927 -1.885
189 H TYR 27 H TYR 27 -4.327 5.771 -0.859
190 HA TYR 27 HA TYR 27 -1.852 4.827 -2.179
191 HB2 TYR 27 2HB TYR 27 -2.629 4.961 0.687
192 HB3 TYR 27 1HB TYR 27 -1.671 3.587 0.142
193 HD1 TYR 27 1HD TYR 27 -1.756 7.280 -0.544
194 HD2 TYR 27 2HD TYR 27 0.610 3.819 0.383
195 HE1 TYR 27 1HE TYR 27 0.298 8.670 -0.544
196 HE2 TYR 27 2HE TYR 27 2.659 5.215 0.379
197 HH TYR 27 HH TYR 27 2.871 8.161 0.795
198 H ARG 28 H ARG 28 -1.592 2.552 -2.411
199 HA ARG 28 HA ARG 28 -4.174 1.179 -2.733
200 HB2 ARG 28 2HB ARG 28 -1.390 0.529 -3.745
201 HB3 ARG 28 1HB ARG 28 -2.813 -0.473 -4.040
202 HG2 ARG 28 2HG ARG 28 -3.919 1.402 -5.173
203 HG3 ARG 28 1HG ARG 28 -2.529 2.436 -4.843
204 HD2 ARG 28 2HD ARG 28 -2.370 1.591 -7.123
205 HD3 ARG 28 1HD ARG 28 -1.096 0.870 -6.145
206 HE ARG 28 HE ARG 28 -2.185 -1.205 -6.315
207 HH11 ARG 28 1HH2 ARG 28 -4.052 1.393 -7.633
208 HH12 ARG 28 2HH2 ARG 28 -5.191 0.357 -8.423
209 HH21 ARG 28 1HH1 ARG 28 -3.677 -2.571 -7.348
210 HH22 ARG 28 2HH1 ARG 28 -4.980 -1.887 -8.263
211 H LEU 29 H LEU 29 -4.751 -0.576 -1.556
212 HA LEU 29 HA LEU 29 -2.893 -1.417 0.574
213 HB2 LEU 29 2HB LEU 29 -5.061 -0.583 1.341
214 HB3 LEU 29 1HB LEU 29 -5.892 -1.754 0.321
215 HG LEU 29 HG LEU 29 -4.936 -3.608 1.592
216 HD11 LEU 29 1HD1 LEU 29 -3.290 -1.383 2.731
217 HD12 LEU 29 2HD1 LEU 29 -2.817 -3.029 2.307
218 HD13 LEU 29 3HD1 LEU 29 -3.705 -2.724 3.798
219 HD21 LEU 29 3HD2 LEU 29 -6.356 -3.388 3.393
220 HD22 LEU 29 1HD2 LEU 29 -6.894 -1.971 2.488
221 HD23 LEU 29 2HD2 LEU 29 -5.745 -1.787 3.813
222 H CYS 30 H CYS 30 -1.726 -3.145 0.026
223 HA CYS 30 HA CYS 30 -3.106 -5.326 -1.415
224 HB2 CYS 30 2HB CYS 30 -0.880 -6.000 -2.234
225 HB3 CYS 30 1HB CYS 30 -1.307 -4.377 -2.742
226 H CYS 31 H CYS 31 -2.892 -7.476 -0.628
227 HA CYS 31 HA CYS 31 -1.554 -7.663 1.999
228 HB2 CYS 31 2HB CYS 31 -4.021 -9.151 1.109
229 HB3 CYS 31 1HB CYS 31 -3.301 -9.160 2.707
230 H ARG 32 H ARG 32 -0.217 -9.382 2.308
231 HA ARG 32 HA ARG 32 -0.189 -11.542 0.314
232 HB2 ARG 32 2HB ARG 32 2.210 -11.348 0.008
233 HB3 ARG 32 1HB ARG 32 1.437 -9.819 -0.410
234 HG2 ARG 32 2HG ARG 32 1.875 -9.284 2.153
235 HG3 ARG 32 1HG ARG 32 3.145 -10.493 1.948
236 HD2 ARG 32 2HD ARG 32 4.004 -9.238 -0.002
237 HD3 ARG 32 1HD ARG 32 2.758 -8.018 0.251
238 HE ARG 32 HE ARG 32 4.191 -8.314 2.656
239 HH11 ARG 32 1HH2 ARG 32 4.644 -7.252 -0.605
240 HH12 ARG 32 2HH2 ARG 32 5.875 -6.102 -0.206
241 HH21 ARG 32 1HH1 ARG 32 5.806 -6.806 3.187
242 HH22 ARG 32 2HH1 ARG 32 6.534 -5.847 1.942
Start of MODEL 4
1 H1 ALA 1 1HT ALA 1 -2.124 -13.488 6.563
2 H2 ALA 1 2HT ALA 1 -2.815 -14.144 5.158
3 H3 ALA 1 3HT ALA 1 -3.497 -12.767 5.880
4 HA ALA 1 HA ALA 1 -0.810 -12.911 4.626
5 HB1 ALA 1 2HB ALA 1 -3.517 -12.151 3.663
6 HB2 ALA 1 3HB ALA 1 -2.134 -12.771 2.761
7 HB3 ALA 1 1HB ALA 1 -2.200 -11.068 3.211
8 H THR 2 H THR 2 -0.360 -10.401 4.055
9 HA THR 2 HA THR 2 -0.814 -8.869 6.541
10 HB THR 2 HB THR 2 1.684 -9.087 4.843
11 HG1 THR 2 1HG THR 2 1.013 -10.572 6.693
12 HG21 THR 2 3HG2 THR 2 1.763 -6.839 5.358
13 HG22 THR 2 1HG2 THR 2 2.477 -7.507 6.827
14 HG23 THR 2 2HG2 THR 2 0.780 -7.031 6.809
15 H CYS 3 H CYS 3 -2.244 -7.362 6.013
16 HA CYS 3 HA CYS 3 -2.224 -6.120 3.385
17 HB2 CYS 3 2HB CYS 3 -4.001 -5.690 5.800
18 HB3 CYS 3 1HB CYS 3 -4.226 -4.936 4.227
19 H TYR 4 H TYR 4 -1.498 -4.111 2.920
20 HA TYR 4 HA TYR 4 -1.040 -2.129 4.969
21 HB2 TYR 4 2HB TYR 4 1.370 -1.924 4.626
22 HB3 TYR 4 1HB TYR 4 0.976 -3.543 5.208
23 HD1 TYR 4 1HD TYR 4 1.078 -5.487 3.714
24 HD2 TYR 4 2HD TYR 4 2.108 -1.550 2.336
25 HE1 TYR 4 1HE TYR 4 2.141 -6.471 1.700
26 HE2 TYR 4 2HE TYR 4 3.176 -2.537 0.323
27 HH TYR 4 HH TYR 4 4.204 -5.396 0.002
28 H CYS 5 H CYS 5 -0.521 -0.049 4.087
29 HA CYS 5 HA CYS 5 -1.419 0.235 1.327
30 HB2 CYS 5 2HB CYS 5 -0.647 2.497 3.141
31 HB3 CYS 5 1HB CYS 5 -1.809 2.470 1.842
32 H ARG 6 H ARG 6 -0.196 1.075 -0.327
33 HA ARG 6 HA ARG 6 2.602 1.793 0.251
34 HB2 ARG 6 2HB ARG 6 3.379 0.439 -1.636
35 HB3 ARG 6 1HB ARG 6 2.562 -0.577 -0.449
36 HG2 ARG 6 2HG ARG 6 0.790 -1.011 -1.827
37 HG3 ARG 6 1HG ARG 6 0.857 0.574 -2.596
38 HD2 ARG 6 2HD ARG 6 1.541 -1.424 -4.033
39 HD3 ARG 6 1HD ARG 6 2.652 -0.061 -4.004
40 HE ARG 6 HE ARG 6 3.125 -2.275 -2.127
41 HH11 ARG 6 1HH2 ARG 6 3.942 -0.515 -4.995
42 HH12 ARG 6 2HH2 ARG 6 5.533 -1.189 -5.119
43 HH21 ARG 6 1HH1 ARG 6 5.207 -3.163 -2.288
44 HH22 ARG 6 2HH1 ARG 6 6.248 -2.688 -3.588
45 H THR 7 H THR 7 3.607 3.062 -1.428
46 HA THR 7 HA THR 7 1.718 4.857 -2.707
47 HB THR 7 HB THR 7 3.665 5.821 -1.621
48 HG1 THR 7 1HG THR 7 4.565 6.262 -4.121
49 HG21 THR 7 3HG2 THR 7 5.036 3.700 -3.156
50 HG22 THR 7 1HG2 THR 7 5.461 4.422 -1.605
51 HG23 THR 7 2HG2 THR 7 5.873 5.250 -3.107
52 H GLY 8 H GLY 8 0.999 2.869 -4.036
53 HA2 GLY 8 2HA GLY 8 1.090 3.047 -6.620
54 HA3 GLY 8 1HA GLY 8 2.732 2.454 -6.383
55 H ARG 9 H ARG 9 1.730 0.735 -7.855
56 HA ARG 9 HA ARG 9 -0.118 -1.132 -6.731
57 HB2 ARG 9 2HB ARG 9 0.038 -0.965 -9.122
58 HB3 ARG 9 1HB ARG 9 1.766 -1.311 -9.082
59 HG2 ARG 9 2HG ARG 9 1.451 -3.551 -8.571
60 HG3 ARG 9 1HG ARG 9 -0.139 -3.273 -7.860
61 HD2 ARG 9 2HD ARG 9 -0.236 -4.412 -10.091
62 HD3 ARG 9 1HD ARG 9 -1.112 -2.885 -10.037
63 HE ARG 9 HE ARG 9 1.651 -2.879 -11.048
64 HH11 ARG 9 1HH2 ARG 9 -1.767 -2.622 -11.553
65 HH12 ARG 9 2HH2 ARG 9 -1.618 -1.903 -13.120
66 HH21 ARG 9 1HH1 ARG 9 1.848 -1.938 -13.106
67 HH22 ARG 9 2HH1 ARG 9 0.425 -1.517 -14.000
68 H CYS 10 H CYS 10 0.351 -3.340 -6.178
69 HA CYS 10 HA CYS 10 2.959 -3.595 -4.821
70 HB2 CYS 10 2HB CYS 10 0.221 -4.673 -4.296
71 HB3 CYS 10 1HB CYS 10 1.617 -5.585 -3.733
72 H ALA 11 H ALA 11 3.005 -6.334 -4.464
73 HA ALA 11 HA ALA 11 3.873 -7.197 -7.096
74 HB1 ALA 11 1HB ALA 11 5.362 -8.293 -5.834
75 HB2 ALA 11 2HB ALA 11 4.060 -9.331 -5.254
76 HB3 ALA 11 3HB ALA 11 4.481 -7.866 -4.368
77 H THR 12 H THR 12 3.284 -9.366 -7.917
78 HA THR 12 HA THR 12 0.507 -9.619 -8.269
79 HB THR 12 HB THR 12 2.841 -11.428 -8.831
80 HG1 THR 12 1HG THR 12 1.082 -9.771 -10.252
81 HG21 THR 12 3HG2 THR 12 -0.102 -12.001 -9.222
82 HG22 THR 12 1HG2 THR 12 1.065 -12.953 -8.303
83 HG23 THR 12 2HG2 THR 12 1.182 -12.873 -10.061
84 H ARG 13 H ARG 13 2.763 -11.378 -6.183
85 HA ARG 13 HA ARG 13 0.998 -13.305 -5.183
86 HB2 ARG 13 2HB ARG 13 3.276 -11.939 -3.726
87 HB3 ARG 13 1HB ARG 13 2.544 -13.486 -3.298
88 HG2 ARG 13 2HG ARG 13 3.907 -14.543 -4.739
89 HG3 ARG 13 1HG ARG 13 3.252 -13.583 -6.067
90 HD2 ARG 13 2HD ARG 13 4.858 -11.842 -5.708
91 HD3 ARG 13 1HD ARG 13 5.414 -12.577 -4.205
92 HE ARG 13 HE ARG 13 6.676 -14.090 -5.464
93 HH11 ARG 13 1HH2 ARG 13 4.470 -12.297 -7.436
94 HH12 ARG 13 2HH2 ARG 13 5.159 -12.832 -8.933
95 HH21 ARG 13 1HH1 ARG 13 7.583 -14.797 -7.421
96 HH22 ARG 13 2HH1 ARG 13 6.921 -14.248 -8.924
97 H GLU 14 H GLU 14 1.373 -9.914 -4.425
98 HA GLU 14 HA GLU 14 -0.105 -9.984 -1.971
99 HB2 GLU 14 2HB GLU 14 0.066 -7.486 -3.591
100 HB3 GLU 14 1HB GLU 14 0.282 -7.729 -1.857
101 HG2 GLU 14 2HG GLU 14 2.366 -9.164 -2.712
102 HG3 GLU 14 1HG GLU 14 2.245 -8.039 -4.063
103 H SER 15 H SER 15 -2.158 -8.734 -1.691
104 HA SER 15 HA SER 15 -3.932 -8.968 -4.042
105 HB2 SER 15 2HB SER 15 -5.697 -9.712 -2.330
106 HB3 SER 15 1HB SER 15 -4.481 -10.862 -2.837
107 HG SER 15 HG SER 15 -3.724 -9.326 -0.713
108 H LEU 16 H LEU 16 -5.215 -7.288 -4.362
109 HA LEU 16 HA LEU 16 -4.968 -4.972 -2.653
110 HB2 LEU 16 2HB LEU 16 -5.750 -5.479 -5.358
111 HB3 LEU 16 1HB LEU 16 -7.044 -4.587 -4.561
112 HG LEU 16 HG LEU 16 -5.295 -3.108 -5.600
113 HD11 LEU 16 1HD1 LEU 16 -6.523 -2.947 -3.066
114 HD12 LEU 16 2HD1 LEU 16 -5.879 -1.611 -4.019
115 HD13 LEU 16 3HD1 LEU 16 -4.861 -2.411 -2.822
116 HD21 LEU 16 3HD2 LEU 16 -3.379 -3.485 -3.429
117 HD22 LEU 16 1HD2 LEU 16 -3.094 -3.407 -5.169
118 HD23 LEU 16 2HD2 LEU 16 -3.544 -4.938 -4.418
119 H SER 17 H SER 17 -6.306 -4.282 -1.115
120 HA SER 17 HA SER 17 -8.830 -5.772 -0.736
121 HB2 SER 17 2HB SER 17 -8.616 -5.302 1.630
122 HB3 SER 17 1HB SER 17 -7.110 -6.009 1.058
123 HG SER 17 HG SER 17 -6.643 -3.583 0.684
124 H GLY 18 H GLY 18 -7.370 -2.624 -1.053
125 HA2 GLY 18 2HA GLY 18 -9.694 -1.302 -1.834
126 HA3 GLY 18 1HA GLY 18 -9.535 -1.061 -0.097
127 H VAL 19 H VAL 19 -9.440 1.213 -1.307
128 HA VAL 19 HA VAL 19 -6.670 1.865 -2.055
129 HB VAL 19 HB VAL 19 -8.235 2.805 -3.573
130 HG11 VAL 19 1HG1 VAL 19 -10.382 2.998 -2.921
131 HG12 VAL 19 2HG1 VAL 19 -9.935 4.449 -2.027
132 HG13 VAL 19 3HG1 VAL 19 -9.920 2.879 -1.224
133 HG21 VAL 19 3HG2 VAL 19 -6.493 4.390 -2.703
134 HG22 VAL 19 1HG2 VAL 19 -7.674 4.985 -1.538
135 HG23 VAL 19 2HG2 VAL 19 -7.954 5.202 -3.264
136 H CYS 20 H CYS 20 -5.347 2.499 -0.491
137 HA CYS 20 HA CYS 20 -6.288 3.345 2.100
138 HB2 CYS 20 2HB CYS 20 -3.640 2.856 0.817
139 HB3 CYS 20 1HB CYS 20 -3.705 3.788 2.312
140 H GLU 21 H GLU 21 -5.085 5.331 3.076
141 HA GLU 21 HA GLU 21 -4.936 7.555 1.157
142 HB2 GLU 21 2HB GLU 21 -6.350 8.154 3.692
143 HB3 GLU 21 1HB GLU 21 -6.635 8.772 2.065
144 HG2 GLU 21 2HG GLU 21 -8.524 7.400 2.597
145 HG3 GLU 21 1HG GLU 21 -7.537 6.470 1.472
146 H ILE 22 H ILE 22 -2.878 8.179 1.442
147 HA ILE 22 HA ILE 22 -1.992 8.741 4.209
148 HB ILE 22 HB ILE 22 -0.342 7.464 2.013
149 HG12 ILE 22 2HG1 ILE 22 -1.034 6.326 4.730
150 HG13 ILE 22 1HG1 ILE 22 -2.062 6.047 3.324
151 HG21 ILE 22 1HG2 ILE 22 0.938 7.361 4.539
152 HG22 ILE 22 2HG2 ILE 22 0.382 9.024 4.335
153 HG23 ILE 22 3HG2 ILE 22 1.437 8.291 3.126
154 HD11 ILE 22 3HD1 ILE 22 0.768 5.586 2.755
155 HD12 ILE 22 1HD1 ILE 22 -0.627 4.553 2.447
156 HD13 ILE 22 2HD1 ILE 22 0.149 4.536 4.031
157 H SER 23 H SER 23 -0.831 10.605 4.485
158 HA SER 23 HA SER 23 -0.145 12.753 4.028
159 HB2 SER 23 2HB SER 23 1.061 12.842 1.657
160 HB3 SER 23 1HB SER 23 1.803 12.042 3.039
161 HG SER 23 HG SER 23 1.851 10.464 1.598
162 H GLY 24 H GLY 24 -2.835 11.760 3.051
163 HA2 GLY 24 2HA GLY 24 -4.631 13.008 2.212
164 HA3 GLY 24 1HA GLY 24 -3.484 14.140 1.503
165 H ARG 25 H ARG 25 -2.051 11.597 0.460
166 HA ARG 25 HA ARG 25 -3.534 11.511 -2.053
167 HB2 ARG 25 2HB ARG 25 -1.157 11.924 -2.243
168 HB3 ARG 25 1HB ARG 25 -0.796 10.488 -1.288
169 HG2 ARG 25 2HG ARG 25 -1.811 9.063 -3.016
170 HG3 ARG 25 1HG ARG 25 -2.214 10.491 -3.968
171 HD2 ARG 25 2HD ARG 25 -0.169 9.559 -4.862
172 HD3 ARG 25 1HD ARG 25 0.232 11.059 -4.030
173 HE ARG 25 HE ARG 25 0.478 8.876 -2.234
174 HH11 ARG 25 1HH2 ARG 25 1.939 10.327 -5.017
175 HH12 ARG 25 2HH2 ARG 25 3.533 9.763 -4.645
176 HH21 ARG 25 1HH1 ARG 25 2.567 8.130 -1.742
177 HH22 ARG 25 2HH1 ARG 25 3.890 8.519 -2.791
178 H LEU 26 H LEU 26 -4.327 9.647 -2.990
179 HA LEU 26 HA LEU 26 -5.215 7.616 -1.186
180 HB2 LEU 26 2HB LEU 26 -6.366 6.695 -3.049
181 HB3 LEU 26 1HB LEU 26 -6.417 8.443 -3.275
182 HG LEU 26 HG LEU 26 -4.100 7.896 -4.552
183 HD11 LEU 26 1HD1 LEU 26 -5.766 5.582 -5.458
184 HD12 LEU 26 2HD1 LEU 26 -4.788 5.377 -4.004
185 HD13 LEU 26 3HD1 LEU 26 -4.017 5.801 -5.533
186 HD21 LEU 26 3HD2 LEU 26 -5.327 8.164 -6.596
187 HD22 LEU 26 1HD2 LEU 26 -6.206 9.074 -5.369
188 HD23 LEU 26 2HD2 LEU 26 -6.790 7.491 -5.880
189 H TYR 27 H TYR 27 -4.360 5.690 -0.720
190 HA TYR 27 HA TYR 27 -1.952 4.826 -2.201
191 HB2 TYR 27 2HB TYR 27 -2.633 4.799 0.688
192 HB3 TYR 27 1HB TYR 27 -1.651 3.490 0.032
193 HD1 TYR 27 1HD TYR 27 -1.876 7.193 -0.539
194 HD2 TYR 27 2HD TYR 27 0.626 3.811 0.307
195 HE1 TYR 27 1HE TYR 27 0.119 8.663 -0.547
196 HE2 TYR 27 2HE TYR 27 2.623 5.282 0.293
197 HH TYR 27 HH TYR 27 2.934 7.956 0.765
198 H ARG 28 H ARG 28 -1.607 2.476 -2.288
199 HA ARG 28 HA ARG 28 -4.182 1.092 -2.688
200 HB2 ARG 28 2HB ARG 28 -1.393 0.569 -3.748
201 HB3 ARG 28 1HB ARG 28 -2.738 -0.553 -3.972
202 HG2 ARG 28 2HG ARG 28 -4.032 1.209 -5.101
203 HG3 ARG 28 1HG ARG 28 -2.707 2.347 -4.858
204 HD2 ARG 28 2HD ARG 28 -1.224 0.933 -6.213
205 HD3 ARG 28 1HD ARG 28 -2.522 -0.237 -6.433
206 HE ARG 28 HE ARG 28 -2.295 2.374 -7.726
207 HH11 ARG 28 1HH2 ARG 28 -4.190 -0.418 -6.956
208 HH12 ARG 28 2HH2 ARG 28 -5.324 -0.174 -8.244
209 HH21 ARG 28 1HH1 ARG 28 -3.780 2.699 -9.418
210 HH22 ARG 28 2HH1 ARG 28 -5.092 1.589 -9.636
211 H LEU 29 H LEU 29 -4.757 -0.591 -1.438
212 HA LEU 29 HA LEU 29 -2.862 -1.457 0.640
213 HB2 LEU 29 2HB LEU 29 -5.005 -0.616 1.457
214 HB3 LEU 29 1HB LEU 29 -5.868 -1.768 0.437
215 HG LEU 29 HG LEU 29 -4.891 -3.650 1.659
216 HD11 LEU 29 1HD1 LEU 29 -2.772 -3.083 2.366
217 HD12 LEU 29 2HD1 LEU 29 -3.644 -2.797 3.871
218 HD13 LEU 29 3HD1 LEU 29 -3.235 -1.443 2.815
219 HD21 LEU 29 3HD2 LEU 29 -6.275 -3.460 3.498
220 HD22 LEU 29 1HD2 LEU 29 -6.864 -2.076 2.578
221 HD23 LEU 29 2HD2 LEU 29 -5.711 -1.835 3.891
222 H CYS 30 H CYS 30 -1.677 -3.135 -0.052
223 HA CYS 30 HA CYS 30 -3.085 -5.322 -1.436
224 HB2 CYS 30 2HB CYS 30 -0.882 -6.009 -2.271
225 HB3 CYS 30 1HB CYS 30 -1.267 -4.368 -2.746
226 H CYS 31 H CYS 31 -2.895 -7.467 -0.660
227 HA CYS 31 HA CYS 31 -1.590 -7.683 1.982
228 HB2 CYS 31 2HB CYS 31 -3.997 -9.217 1.024
229 HB3 CYS 31 1HB CYS 31 -3.330 -9.198 2.642
230 H ARG 32 H ARG 32 -0.211 -9.349 2.301
231 HA ARG 32 HA ARG 32 -0.108 -11.531 0.341
232 HB2 ARG 32 2HB ARG 32 2.271 -11.254 -0.017
233 HB3 ARG 32 1HB ARG 32 1.434 -9.768 -0.460
234 HG2 ARG 32 2HG ARG 32 1.908 -9.135 2.067
235 HG3 ARG 32 1HG ARG 32 3.206 -10.318 1.887
236 HD2 ARG 32 2HD ARG 32 3.999 -9.106 -0.129
237 HD3 ARG 32 1HD ARG 32 2.735 -7.903 0.125
238 HE ARG 32 HE ARG 32 3.961 -7.048 1.937
239 HH11 ARG 32 1HH2 ARG 32 5.292 -9.999 0.716
240 HH12 ARG 32 2HH2 ARG 32 6.774 -9.861 1.603
241 HH21 ARG 32 1HH1 ARG 32 5.905 -6.860 3.106
242 HH22 ARG 32 2HH1 ARG 32 7.120 -8.084 2.956
Start of MODEL 5
1 H1 ALA 1 1HT ALA 1 -3.047 -13.683 5.033
2 H2 ALA 1 2HT ALA 1 -2.540 -12.821 6.406
3 H3 ALA 1 3HT ALA 1 -1.608 -14.114 5.820
4 HA ALA 1 HA ALA 1 -0.544 -12.844 4.361
5 HB1 ALA 1 2HB ALA 1 -1.997 -12.637 2.615
6 HB2 ALA 1 3HB ALA 1 -2.181 -10.987 3.209
7 HB3 ALA 1 1HB ALA 1 -3.351 -12.224 3.668
8 H THR 2 H THR 2 -0.141 -10.352 3.908
9 HA THR 2 HA THR 2 -0.511 -8.899 6.457
10 HB THR 2 HB THR 2 1.909 -8.972 4.635
11 HG1 THR 2 1HG THR 2 1.278 -9.944 7.191
12 HG21 THR 2 3HG2 THR 2 2.592 -7.561 6.907
13 HG22 THR 2 1HG2 THR 2 0.963 -6.978 6.563
14 HG23 THR 2 2HG2 THR 2 2.225 -6.848 5.337
15 H CYS 3 H CYS 3 -1.981 -7.404 6.045
16 HA CYS 3 HA CYS 3 -2.160 -6.096 3.462
17 HB2 CYS 3 2HB CYS 3 -3.724 -5.717 6.024
18 HB3 CYS 3 1HB CYS 3 -4.065 -4.905 4.502
19 H TYR 4 H TYR 4 -1.492 -4.073 2.968
20 HA TYR 4 HA TYR 4 -0.870 -2.109 4.974
21 HB2 TYR 4 2HB TYR 4 1.526 -1.929 4.494
22 HB3 TYR 4 1HB TYR 4 1.140 -3.526 5.136
23 HD1 TYR 4 2HD TYR 4 1.943 -1.623 2.063
24 HD2 TYR 4 1HD TYR 4 1.349 -5.512 3.788
25 HE1 TYR 4 2HE TYR 4 2.889 -2.675 0.025
26 HE2 TYR 4 1HE TYR 4 2.293 -6.560 1.747
27 HH TYR 4 HH TYR 4 3.676 -6.039 -0.111
28 H CYS 5 H CYS 5 -0.400 -0.041 4.064
29 HA CYS 5 HA CYS 5 -1.401 0.233 1.337
30 HB2 CYS 5 2HB CYS 5 -0.599 2.481 3.175
31 HB3 CYS 5 1HB CYS 5 -1.735 2.502 1.844
32 H ARG 6 H ARG 6 -0.225 1.021 -0.365
33 HA ARG 6 HA ARG 6 2.584 1.769 0.117
34 HB2 ARG 6 2HB ARG 6 3.336 0.383 -1.723
35 HB3 ARG 6 1HB ARG 6 2.453 -0.624 -0.579
36 HG2 ARG 6 2HG ARG 6 0.676 -0.944 -2.001
37 HG3 ARG 6 1HG ARG 6 0.883 0.613 -2.802
38 HD2 ARG 6 2HD ARG 6 2.900 -1.606 -3.091
39 HD3 ARG 6 1HD ARG 6 1.500 -1.475 -4.150
40 HE ARG 6 HE ARG 6 2.445 0.924 -4.523
41 HH11 ARG 6 1HH2 ARG 6 4.248 -1.983 -3.975
42 HH12 ARG 6 2HH2 ARG 6 5.635 -1.453 -4.865
43 HH21 ARG 6 1HH1 ARG 6 4.263 1.620 -5.695
44 HH22 ARG 6 2HH1 ARG 6 5.643 0.584 -5.839
45 H THR 7 H THR 7 3.536 3.014 -1.624
46 HA THR 7 HA THR 7 1.573 4.756 -2.895
47 HB THR 7 HB THR 7 3.414 5.873 -1.836
48 HG1 THR 7 1HG THR 7 4.345 5.990 -4.438
49 HG21 THR 7 3HG2 THR 7 5.022 3.807 -3.300
50 HG22 THR 7 1HG2 THR 7 5.135 4.322 -1.617
51 HG23 THR 7 2HG2 THR 7 5.766 5.355 -2.900
52 H GLY 8 H GLY 8 1.008 2.649 -4.180
53 HA2 GLY 8 2HA GLY 8 1.149 2.860 -6.793
54 HA3 GLY 8 1HA GLY 8 2.779 2.264 -6.491
55 H ARG 9 H ARG 9 1.748 0.549 -7.997
56 HA ARG 9 HA ARG 9 -0.124 -1.305 -6.920
57 HB2 ARG 9 2HB ARG 9 0.428 -0.957 -9.362
58 HB3 ARG 9 1HB ARG 9 1.913 -1.864 -9.069
59 HG2 ARG 9 2HG ARG 9 0.642 -3.785 -8.298
60 HG3 ARG 9 1HG ARG 9 -0.866 -2.881 -8.435
61 HD2 ARG 9 2HD ARG 9 -0.618 -4.293 -10.388
62 HD3 ARG 9 1HD ARG 9 -0.438 -2.607 -10.862
63 HE ARG 9 HE ARG 9 2.008 -4.127 -10.289
64 HH11 ARG 9 1HH2 ARG 9 -0.185 -2.697 -12.557
65 HH12 ARG 9 2HH2 ARG 9 0.949 -2.705 -13.866
66 HH21 ARG 9 1HH1 ARG 9 3.497 -4.139 -12.002
67 HH22 ARG 9 2HH1 ARG 9 3.033 -3.520 -13.552
68 H CYS 10 H CYS 10 0.316 -3.517 -6.329
69 HA CYS 10 HA CYS 10 2.888 -3.783 -4.896
70 HB2 CYS 10 2HB CYS 10 0.116 -4.772 -4.352
71 HB3 CYS 10 1HB CYS 10 1.491 -5.671 -3.718
72 H ALA 11 H ALA 11 2.892 -6.488 -4.435
73 HA ALA 11 HA ALA 11 3.755 -7.482 -7.012
74 HB1 ALA 11 1HB ALA 11 3.746 -9.535 -5.027
75 HB2 ALA 11 2HB ALA 11 4.328 -8.045 -4.283
76 HB3 ALA 11 3HB ALA 11 5.128 -8.684 -5.718
77 H THR 12 H THR 12 3.053 -9.534 -7.893
78 HA THR 12 HA THR 12 0.264 -9.711 -8.204
79 HB THR 12 HB THR 12 2.516 -11.612 -8.850
80 HG1 THR 12 1HG THR 12 0.716 -10.298 -10.576
81 HG21 THR 12 3HG2 THR 12 -0.412 -12.056 -8.852
82 HG22 THR 12 1HG2 THR 12 0.905 -13.226 -8.775
83 HG23 THR 12 2HG2 THR 12 0.434 -12.530 -10.326
84 H ARG 13 H ARG 13 2.515 -11.553 -6.193
85 HA ARG 13 HA ARG 13 0.723 -13.479 -5.227
86 HB2 ARG 13 2HB ARG 13 3.100 -12.215 -3.836
87 HB3 ARG 13 1HB ARG 13 2.296 -13.700 -3.329
88 HG2 ARG 13 2HG ARG 13 3.434 -13.363 -6.109
89 HG3 ARG 13 1HG ARG 13 4.402 -13.980 -4.772
90 HD2 ARG 13 2HD ARG 13 2.630 -15.734 -4.404
91 HD3 ARG 13 1HD ARG 13 1.846 -15.177 -5.878
92 HE ARG 13 HE ARG 13 3.679 -16.024 -7.132
93 HH11 ARG 13 1HH2 ARG 13 3.928 -16.518 -3.713
94 HH12 ARG 13 2HH2 ARG 13 5.156 -17.734 -3.842
95 HH21 ARG 13 1HH1 ARG 13 5.290 -17.613 -7.303
96 HH22 ARG 13 2HH1 ARG 13 5.927 -18.351 -5.872
97 H GLU 14 H GLU 14 1.212 -10.137 -4.337
98 HA GLU 14 HA GLU 14 -0.229 -10.231 -1.867
99 HB2 GLU 14 2HB GLU 14 -0.083 -7.721 -3.472
100 HB3 GLU 14 1HB GLU 14 0.157 -7.972 -1.745
101 HG2 GLU 14 2HG GLU 14 2.241 -9.372 -2.558
102 HG3 GLU 14 1HG GLU 14 2.080 -8.361 -3.991
103 H SER 15 H SER 15 -2.209 -8.731 -1.623
104 HA SER 15 HA SER 15 -4.077 -9.105 -3.872
105 HB2 SER 15 2HB SER 15 -5.785 -9.604 -1.959
106 HB3 SER 15 1HB SER 15 -4.747 -10.865 -2.595
107 HG SER 15 HG SER 15 -3.319 -9.788 -0.763
108 H LEU 16 H LEU 16 -5.223 -7.365 -4.309
109 HA LEU 16 HA LEU 16 -4.907 -4.995 -2.679
110 HB2 LEU 16 2HB LEU 16 -5.506 -5.519 -5.394
111 HB3 LEU 16 1HB LEU 16 -6.895 -4.660 -4.729
112 HG LEU 16 HG LEU 16 -5.157 -3.112 -5.625
113 HD11 LEU 16 1HD1 LEU 16 -6.162 -1.805 -4.079
114 HD12 LEU 16 2HD1 LEU 16 -4.790 -2.167 -3.030
115 HD13 LEU 16 3HD1 LEU 16 -6.261 -3.133 -2.922
116 HD21 LEU 16 3HD2 LEU 16 -2.970 -3.392 -5.136
117 HD22 LEU 16 1HD2 LEU 16 -3.409 -4.901 -4.333
118 HD23 LEU 16 2HD2 LEU 16 -3.307 -3.405 -3.404
119 H SER 17 H SER 17 -6.217 -4.300 -1.131
120 HA SER 17 HA SER 17 -8.836 -5.624 -0.835
121 HB2 SER 17 2HB SER 17 -8.696 -5.150 1.493
122 HB3 SER 17 1HB SER 17 -7.101 -5.728 1.029
123 HG SER 17 HG SER 17 -7.974 -3.079 1.495
124 H GLY 18 H GLY 18 -7.255 -2.540 -1.239
125 HA2 GLY 18 2HA GLY 18 -9.437 -1.175 -2.255
126 HA3 GLY 18 1HA GLY 18 -9.472 -0.896 -0.517
127 H VAL 19 H VAL 19 -9.183 1.348 -1.752
128 HA VAL 19 HA VAL 19 -6.332 1.921 -2.205
129 HB VAL 19 HB VAL 19 -7.938 2.777 -3.860
130 HG11 VAL 19 1HG1 VAL 19 -9.886 3.797 -3.300
131 HG12 VAL 19 2HG1 VAL 19 -9.107 4.801 -2.078
132 HG13 VAL 19 3HG1 VAL 19 -9.598 3.156 -1.683
133 HG21 VAL 19 3HG2 VAL 19 -5.914 4.190 -2.636
134 HG22 VAL 19 1HG2 VAL 19 -7.269 5.312 -2.520
135 HG23 VAL 19 2HG2 VAL 19 -6.760 4.706 -4.096
136 H CYS 20 H CYS 20 -5.167 2.551 -0.518
137 HA CYS 20 HA CYS 20 -6.320 3.396 1.965
138 HB2 CYS 20 2HB CYS 20 -3.556 3.068 0.877
139 HB3 CYS 20 1HB CYS 20 -3.790 3.936 2.392
140 H GLU 21 H GLU 21 -4.903 5.417 2.945
141 HA GLU 21 HA GLU 21 -4.849 7.648 1.075
142 HB2 GLU 21 2HB GLU 21 -7.224 7.526 1.785
143 HB3 GLU 21 1HB GLU 21 -6.708 7.680 3.465
144 HG2 GLU 21 2HG GLU 21 -5.689 9.858 2.977
145 HG3 GLU 21 1HG GLU 21 -6.134 9.701 1.278
146 H ILE 22 H ILE 22 -2.809 8.271 1.523
147 HA ILE 22 HA ILE 22 -2.139 8.788 4.362
148 HB ILE 22 HB ILE 22 -0.060 8.201 2.280
149 HG12 ILE 22 2HG1 ILE 22 -1.752 6.342 2.278
150 HG13 ILE 22 1HG1 ILE 22 -0.160 5.833 2.845
151 HG21 ILE 22 1HG2 ILE 22 -0.258 7.993 5.290
152 HG22 ILE 22 2HG2 ILE 22 0.777 9.070 4.354
153 HG23 ILE 22 3HG2 ILE 22 1.092 7.335 4.367
154 HD11 ILE 22 3HD1 ILE 22 -0.904 6.118 5.177
155 HD12 ILE 22 1HD1 ILE 22 -1.925 4.966 4.315
156 HD13 ILE 22 2HD1 ILE 22 -2.498 6.609 4.604
157 H SER 23 H SER 23 -1.473 10.799 4.856
158 HA SER 23 HA SER 23 -1.042 13.045 4.608
159 HB2 SER 23 2HB SER 23 0.483 13.456 2.463
160 HB3 SER 23 1HB SER 23 1.114 12.685 3.914
161 HG SER 23 HG SER 23 0.981 10.741 2.958
162 H GLY 24 H GLY 24 -3.455 11.932 3.361
163 HA2 GLY 24 2HA GLY 24 -5.235 12.976 2.275
164 HA3 GLY 24 1HA GLY 24 -4.128 14.227 1.716
165 H ARG 25 H ARG 25 -2.372 11.771 0.888
166 HA ARG 25 HA ARG 25 -3.404 11.671 -1.830
167 HB2 ARG 25 2HB ARG 25 -0.997 12.056 -1.439
168 HB3 ARG 25 1HB ARG 25 -0.887 10.481 -0.655
169 HG2 ARG 25 2HG ARG 25 -1.644 9.391 -2.740
170 HG3 ARG 25 1HG ARG 25 -1.740 10.968 -3.525
171 HD2 ARG 25 2HD ARG 25 0.693 11.295 -3.051
172 HD3 ARG 25 1HD ARG 25 0.755 9.656 -2.411
173 HE ARG 25 HE ARG 25 -0.348 9.606 -5.020
174 HH11 ARG 25 1HH2 ARG 25 2.604 10.165 -3.303
175 HH12 ARG 25 2HH2 ARG 25 3.621 9.639 -4.603
176 HH21 ARG 25 1HH1 ARG 25 0.980 8.913 -6.729
177 HH22 ARG 25 2HH1 ARG 25 2.701 8.930 -6.543
178 H LEU 26 H LEU 26 -3.694 9.674 -2.980
179 HA LEU 26 HA LEU 26 -4.965 7.652 -1.315
180 HB2 LEU 26 2HB LEU 26 -4.913 8.303 -4.228
181 HB3 LEU 26 1HB LEU 26 -5.334 6.661 -3.741
182 HG LEU 26 HG LEU 26 -7.010 7.709 -2.131
183 HD11 LEU 26 1HD1 LEU 26 -7.740 10.040 -2.935
184 HD12 LEU 26 2HD1 LEU 26 -6.164 10.133 -3.722
185 HD13 LEU 26 3HD1 LEU 26 -6.267 9.956 -1.970
186 HD21 LEU 26 3HD2 LEU 26 -7.796 6.679 -4.168
187 HD22 LEU 26 1HD2 LEU 26 -7.294 8.069 -5.128
188 HD23 LEU 26 2HD2 LEU 26 -8.639 8.218 -3.999
189 H TYR 27 H TYR 27 -4.122 5.743 -0.794
190 HA TYR 27 HA TYR 27 -1.615 4.894 -2.117
191 HB2 TYR 27 2HB TYR 27 -2.440 4.909 0.737
192 HB3 TYR 27 1HB TYR 27 -1.422 3.594 0.156
193 HD1 TYR 27 2HD TYR 27 -1.666 7.322 -0.186
194 HD2 TYR 27 1HD TYR 27 0.867 3.886 0.247
195 HE1 TYR 27 2HE TYR 27 0.331 8.795 -0.103
196 HE2 TYR 27 1HE TYR 27 2.861 5.359 0.313
197 HH TYR 27 HH TYR 27 3.497 7.620 -0.428
198 H ARG 28 H ARG 28 -1.279 2.601 -2.330
199 HA ARG 28 HA ARG 28 -3.813 1.194 -2.815
200 HB2 ARG 28 2HB ARG 28 -1.533 1.407 -4.335
201 HB3 ARG 28 1HB ARG 28 -1.285 -0.145 -3.534
202 HG2 ARG 28 2HG ARG 28 -2.499 -0.729 -5.464
203 HG3 ARG 28 1HG ARG 28 -3.742 -0.639 -4.214
204 HD2 ARG 28 2HD ARG 28 -4.266 1.674 -4.899
205 HD3 ARG 28 1HD ARG 28 -3.029 1.584 -6.148
206 HE ARG 28 HE ARG 28 -4.719 -0.558 -6.615
207 HH11 ARG 28 1HH2 ARG 28 -4.948 2.886 -6.370
208 HH12 ARG 28 2HH2 ARG 28 -6.265 3.017 -7.487
209 HH21 ARG 28 1HH1 ARG 28 -6.446 -0.396 -8.082
210 HH22 ARG 28 2HH1 ARG 28 -7.113 1.158 -8.456
211 H LEU 29 H LEU 29 -4.465 -0.505 -1.619
212 HA LEU 29 HA LEU 29 -2.684 -1.405 0.553
213 HB2 LEU 29 2HB LEU 29 -4.783 -0.499 1.344
214 HB3 LEU 29 1HB LEU 29 -5.693 -1.541 0.253
215 HG LEU 29 HG LEU 29 -4.937 -3.533 1.434
216 HD11 LEU 29 1HD1 LEU 29 -3.097 -1.538 2.709
217 HD12 LEU 29 2HD1 LEU 29 -2.754 -3.169 2.137
218 HD13 LEU 29 3HD1 LEU 29 -3.611 -2.933 3.659
219 HD21 LEU 29 3HD2 LEU 29 -6.278 -3.260 3.307
220 HD22 LEU 29 1HD2 LEU 29 -6.754 -1.822 2.401
221 HD23 LEU 29 2HD2 LEU 29 -5.578 -1.693 3.709
222 H CYS 30 H CYS 30 -1.635 -3.233 0.129
223 HA CYS 30 HA CYS 30 -3.087 -5.352 -1.332
224 HB2 CYS 30 2HB CYS 30 -0.853 -6.135 -2.106
225 HB3 CYS 30 1HB CYS 30 -1.305 -4.557 -2.733
226 H CYS 31 H CYS 31 -2.952 -7.491 -0.523
227 HA CYS 31 HA CYS 31 -1.621 -7.696 2.103
228 HB2 CYS 31 2HB CYS 31 -4.103 -9.137 1.177
229 HB3 CYS 31 1HB CYS 31 -3.389 -9.199 2.780
230 H ARG 32 H ARG 32 -0.308 -9.414 2.451
231 HA ARG 32 HA ARG 32 -0.285 -11.622 0.526
232 HB2 ARG 32 2HB ARG 32 2.105 -11.420 0.126
233 HB3 ARG 32 1HB ARG 32 1.291 -9.930 -0.355
234 HG2 ARG 32 2HG ARG 32 1.810 -9.167 2.095
235 HG3 ARG 32 1HG ARG 32 3.028 -10.444 2.040
236 HD2 ARG 32 2HD ARG 32 3.941 -9.448 -0.040
237 HD3 ARG 32 1HD ARG 32 2.759 -8.148 0.088
238 HE ARG 32 HE ARG 32 4.162 -8.244 2.514
239 HH11 ARG 32 1HH2 ARG 32 4.734 -7.635 -0.844
240 HH12 ARG 32 2HH2 ARG 32 6.043 -6.538 -0.564
241 HH21 ARG 32 1HH1 ARG 32 5.881 -6.807 2.890
242 HH22 ARG 32 2HH1 ARG 32 6.694 -6.068 1.550
Start of MODEL 6
1 H1 ALA 1 1HT ALA 1 -2.714 -14.005 4.695
2 H2 ALA 1 2HT ALA 1 -2.792 -12.903 5.985
3 H3 ALA 1 3HT ALA 1 -1.491 -13.989 5.870
4 HA ALA 1 HA ALA 1 -0.434 -12.815 4.258
5 HB1 ALA 1 2HB ALA 1 -3.235 -12.044 3.476
6 HB2 ALA 1 3HB ALA 1 -1.992 -12.838 2.508
7 HB3 ALA 1 1HB ALA 1 -1.862 -11.117 2.869
8 H THR 2 H THR 2 -0.067 -10.328 3.904
9 HA THR 2 HA THR 2 -0.689 -8.935 6.437
10 HB THR 2 HB THR 2 1.848 -8.855 4.785
11 HG1 THR 2 1HG THR 2 2.687 -10.012 6.369
12 HG21 THR 2 3HG2 THR 2 1.949 -6.731 5.580
13 HG22 THR 2 1HG2 THR 2 2.375 -7.510 7.103
14 HG23 THR 2 2HG2 THR 2 0.708 -7.024 6.797
15 H CYS 3 H CYS 3 -2.108 -7.413 6.014
16 HA CYS 3 HA CYS 3 -2.222 -6.104 3.424
17 HB2 CYS 3 2HB CYS 3 -3.869 -5.732 5.937
18 HB3 CYS 3 1HB CYS 3 -4.182 -4.949 4.392
19 H TYR 4 H TYR 4 -1.528 -4.083 2.961
20 HA TYR 4 HA TYR 4 -1.005 -2.119 5.003
21 HB2 TYR 4 2HB TYR 4 1.404 -1.906 4.570
22 HB3 TYR 4 1HB TYR 4 1.020 -3.502 5.214
23 HD1 TYR 4 1HD TYR 4 1.875 -1.608 2.147
24 HD2 TYR 4 2HD TYR 4 1.273 -5.493 3.877
25 HE1 TYR 4 1HE TYR 4 2.875 -2.659 0.136
26 HE2 TYR 4 2HE TYR 4 2.271 -6.544 1.865
27 HH TYR 4 HH TYR 4 3.959 -4.732 -0.505
28 H CYS 5 H CYS 5 -0.498 -0.035 4.119
29 HA CYS 5 HA CYS 5 -1.450 0.255 1.375
30 HB2 CYS 5 2HB CYS 5 -0.677 2.502 3.216
31 HB3 CYS 5 1HB CYS 5 -1.816 2.508 1.899
32 H ARG 6 H ARG 6 -0.245 1.115 -0.290
33 HA ARG 6 HA ARG 6 2.549 1.859 0.266
34 HB2 ARG 6 2HB ARG 6 3.358 0.495 -1.576
35 HB3 ARG 6 1HB ARG 6 2.481 -0.533 -0.443
36 HG2 ARG 6 2HG ARG 6 0.728 -0.881 -1.889
37 HG3 ARG 6 1HG ARG 6 0.919 0.682 -2.683
38 HD2 ARG 6 2HD ARG 6 2.935 -1.549 -2.950
39 HD3 ARG 6 1HD ARG 6 1.589 -1.338 -4.067
40 HE ARG 6 HE ARG 6 2.635 1.052 -4.279
41 HH11 ARG 6 1HH2 ARG 6 4.274 -1.970 -3.853
42 HH12 ARG 6 2HH2 ARG 6 5.708 -1.465 -4.682
43 HH21 ARG 6 1HH1 ARG 6 4.516 1.717 -5.369
44 HH22 ARG 6 2HH1 ARG 6 5.845 0.618 -5.540
45 H THR 7 H THR 7 3.532 3.127 -1.442
46 HA THR 7 HA THR 7 1.580 4.856 -2.748
47 HB THR 7 HB THR 7 3.639 5.693 -1.504
48 HG1 THR 7 1HG THR 7 2.753 6.386 -4.033
49 HG21 THR 7 3HG2 THR 7 4.946 3.855 -3.080
50 HG22 THR 7 1HG2 THR 7 5.725 5.188 -2.227
51 HG23 THR 7 2HG2 THR 7 5.277 5.369 -3.923
52 H GLY 8 H GLY 8 1.018 2.820 -4.089
53 HA2 GLY 8 2HA GLY 8 1.240 3.044 -6.688
54 HA3 GLY 8 1HA GLY 8 2.856 2.430 -6.351
55 H ARG 9 H ARG 9 1.947 0.713 -7.872
56 HA ARG 9 HA ARG 9 -0.001 -1.131 -6.882
57 HB2 ARG 9 2HB ARG 9 0.465 -0.845 -9.284
58 HB3 ARG 9 1HB ARG 9 2.083 -1.506 -9.037
59 HG2 ARG 9 2HG ARG 9 1.182 -3.617 -8.303
60 HG3 ARG 9 1HG ARG 9 -0.458 -2.969 -8.301
61 HD2 ARG 9 2HD ARG 9 -0.148 -4.261 -10.327
62 HD3 ARG 9 1HD ARG 9 -0.247 -2.555 -10.748
63 HE ARG 9 HE ARG 9 2.428 -3.709 -10.386
64 HH11 ARG 9 1HH2 ARG 9 -0.104 -2.567 -12.455
65 HH12 ARG 9 2HH2 ARG 9 0.923 -2.376 -13.835
66 HH21 ARG 9 1HH1 ARG 9 3.778 -3.463 -12.195
67 HH22 ARG 9 2HH1 ARG 9 3.120 -2.883 -13.688
68 H CYS 10 H CYS 10 0.392 -3.322 -6.255
69 HA CYS 10 HA CYS 10 2.923 -3.623 -4.768
70 HB2 CYS 10 2HB CYS 10 0.136 -4.628 -4.343
71 HB3 CYS 10 1HB CYS 10 1.492 -5.534 -3.674
72 H ALA 11 H ALA 11 2.895 -6.343 -4.351
73 HA ALA 11 HA ALA 11 3.845 -7.291 -6.920
74 HB1 ALA 11 1HB ALA 11 3.774 -9.338 -4.893
75 HB2 ALA 11 2HB ALA 11 4.432 -7.846 -4.220
76 HB3 ALA 11 3HB ALA 11 5.171 -8.572 -5.647
77 H THR 12 H THR 12 3.188 -9.362 -7.819
78 HA THR 12 HA THR 12 0.407 -9.545 -8.213
79 HB THR 12 HB THR 12 2.566 -11.603 -8.734
80 HG1 THR 12 1HG THR 12 1.774 -9.287 -9.930
81 HG21 THR 12 3HG2 THR 12 -0.354 -11.442 -9.426
82 HG22 THR 12 1HG2 THR 12 0.576 -12.827 -8.853
83 HG23 THR 12 2HG2 THR 12 0.767 -12.263 -10.513
84 H ARG 13 H ARG 13 2.612 -11.408 -6.165
85 HA ARG 13 HA ARG 13 0.800 -13.343 -5.257
86 HB2 ARG 13 2HB ARG 13 3.116 -12.093 -3.755
87 HB3 ARG 13 1HB ARG 13 2.334 -13.624 -3.362
88 HG2 ARG 13 2HG ARG 13 3.607 -13.080 -6.054
89 HG3 ARG 13 1HG ARG 13 4.484 -13.816 -4.713
90 HD2 ARG 13 2HD ARG 13 2.008 -14.901 -6.083
91 HD3 ARG 13 1HD ARG 13 3.624 -15.593 -6.106
92 HE ARG 13 HE ARG 13 3.052 -15.533 -3.457
93 HH11 ARG 13 1HH2 ARG 13 1.351 -16.633 -6.260
94 HH12 ARG 13 2HH2 ARG 13 0.511 -17.897 -5.425
95 HH21 ARG 13 1HH1 ARG 13 1.953 -17.186 -2.353
96 HH22 ARG 13 2HH1 ARG 13 0.852 -18.210 -3.213
97 H GLU 14 H GLU 14 1.242 -10.001 -4.358
98 HA GLU 14 HA GLU 14 -0.247 -10.131 -1.916
99 HB2 GLU 14 2HB GLU 14 -0.055 -7.595 -3.470
100 HB3 GLU 14 1HB GLU 14 0.150 -7.878 -1.741
101 HG2 GLU 14 2HG GLU 14 2.244 -9.266 -2.528
102 HG3 GLU 14 1HG GLU 14 2.112 -8.245 -3.957
103 H SER 15 H SER 15 -2.262 -8.732 -1.653
104 HA SER 15 HA SER 15 -4.049 -8.973 -3.990
105 HB2 SER 15 2HB SER 15 -5.833 -9.659 -2.294
106 HB3 SER 15 1HB SER 15 -4.636 -10.850 -2.757
107 HG SER 15 HG SER 15 -4.886 -9.402 -0.374
108 H LEU 16 H LEU 16 -5.292 -7.267 -4.327
109 HA LEU 16 HA LEU 16 -4.985 -4.950 -2.624
110 HB2 LEU 16 2HB LEU 16 -5.594 -5.373 -5.332
111 HB3 LEU 16 1HB LEU 16 -7.046 -4.655 -4.634
112 HG LEU 16 HG LEU 16 -5.495 -2.906 -5.425
113 HD11 LEU 16 1HD1 LEU 16 -6.283 -1.671 -3.719
114 HD12 LEU 16 2HD1 LEU 16 -5.042 -2.335 -2.654
115 HD13 LEU 16 3HD1 LEU 16 -6.601 -3.146 -2.807
116 HD21 LEU 16 3HD2 LEU 16 -3.265 -3.005 -5.052
117 HD22 LEU 16 1HD2 LEU 16 -3.536 -4.643 -4.457
118 HD23 LEU 16 2HD2 LEU 16 -3.499 -3.288 -3.327
119 H SER 17 H SER 17 -6.264 -4.359 -1.004
120 HA SER 17 HA SER 17 -8.855 -5.735 -0.697
121 HB2 SER 17 2HB SER 17 -8.675 -5.287 1.657
122 HB3 SER 17 1HB SER 17 -7.133 -5.949 1.124
123 HG SER 17 HG SER 17 -7.509 -3.182 1.019
124 H GLY 18 H GLY 18 -7.379 -2.669 -1.242
125 HA2 GLY 18 2HA GLY 18 -9.625 -1.303 -2.033
126 HA3 GLY 18 1HA GLY 18 -9.543 -1.037 -0.295
127 H VAL 19 H VAL 19 -9.362 1.217 -1.527
128 HA VAL 19 HA VAL 19 -6.555 1.826 -2.157
129 HB VAL 19 HB VAL 19 -8.205 2.701 -3.719
130 HG11 VAL 19 1HG1 VAL 19 -9.529 4.669 -2.125
131 HG12 VAL 19 2HG1 VAL 19 -9.713 3.114 -1.317
132 HG13 VAL 19 3HG1 VAL 19 -10.247 3.307 -2.985
133 HG21 VAL 19 3HG2 VAL 19 -7.497 4.974 -3.749
134 HG22 VAL 19 1HG2 VAL 19 -6.187 4.102 -2.952
135 HG23 VAL 19 2HG2 VAL 19 -7.341 5.029 -1.993
136 H CYS 20 H CYS 20 -5.289 2.454 -0.547
137 HA CYS 20 HA CYS 20 -6.308 3.313 2.005
138 HB2 CYS 20 2HB CYS 20 -3.623 2.836 0.796
139 HB3 CYS 20 1HB CYS 20 -3.733 3.783 2.280
140 H GLU 21 H GLU 21 -5.077 5.302 2.994
141 HA GLU 21 HA GLU 21 -4.907 7.531 1.093
142 HB2 GLU 21 2HB GLU 21 -6.325 8.891 2.754
143 HB3 GLU 21 1HB GLU 21 -7.181 7.750 1.717
144 HG2 GLU 21 2HG GLU 21 -7.130 6.071 3.532
145 HG3 GLU 21 1HG GLU 21 -6.305 7.231 4.572
146 H ILE 22 H ILE 22 -2.867 8.165 1.457
147 HA ILE 22 HA ILE 22 -2.095 8.747 4.249
148 HB ILE 22 HB ILE 22 -0.372 7.445 2.129
149 HG12 ILE 22 2HG1 ILE 22 -1.124 6.375 4.859
150 HG13 ILE 22 1HG1 ILE 22 -2.118 6.055 3.438
151 HG21 ILE 22 1HG2 ILE 22 1.230 8.636 3.263
152 HG22 ILE 22 2HG2 ILE 22 1.060 7.317 4.420
153 HG23 ILE 22 3HG2 ILE 22 0.214 8.840 4.690
154 HD11 ILE 22 3HD1 ILE 22 0.017 4.525 4.219
155 HD12 ILE 22 1HD1 ILE 22 0.755 5.588 3.020
156 HD13 ILE 22 2HD1 ILE 22 -0.629 4.587 2.578
157 H SER 23 H SER 23 -1.246 10.730 4.551
158 HA SER 23 HA SER 23 -0.565 12.876 4.089
159 HB2 SER 23 2HB SER 23 1.319 13.066 2.761
160 HB3 SER 23 1HB SER 23 1.327 11.336 3.083
161 HG SER 23 HG SER 23 0.553 12.742 0.769
162 H GLY 24 H GLY 24 -3.148 12.230 3.231
163 HA2 GLY 24 2HA GLY 24 -4.841 13.169 1.984
164 HA3 GLY 24 1HA GLY 24 -3.665 14.346 1.406
165 H ARG 25 H ARG 25 -2.227 11.539 0.733
166 HA ARG 25 HA ARG 25 -3.285 11.493 -2.010
167 HB2 ARG 25 2HB ARG 25 -0.920 11.915 -1.928
168 HB3 ARG 25 1HB ARG 25 -0.661 10.550 -0.846
169 HG2 ARG 25 2HG ARG 25 -1.422 8.999 -2.603
170 HG3 ARG 25 1HG ARG 25 -1.710 10.360 -3.686
171 HD2 ARG 25 2HD ARG 25 0.715 10.966 -3.467
172 HD3 ARG 25 1HD ARG 25 0.954 9.491 -2.535
173 HE ARG 25 HE ARG 25 -0.297 8.993 -5.078
174 HH11 ARG 25 1HH2 ARG 25 2.686 9.575 -3.424
175 HH12 ARG 25 2HH2 ARG 25 3.657 8.747 -4.595
176 HH21 ARG 25 1HH1 ARG 25 0.970 7.905 -6.617
177 HH22 ARG 25 2HH1 ARG 25 2.685 7.802 -6.403
178 H LEU 26 H LEU 26 -4.091 9.674 -2.932
179 HA LEU 26 HA LEU 26 -5.077 7.629 -1.202
180 HB2 LEU 26 2HB LEU 26 -6.123 6.721 -3.137
181 HB3 LEU 26 1HB LEU 26 -6.168 8.473 -3.341
182 HG LEU 26 HG LEU 26 -3.763 7.898 -4.480
183 HD11 LEU 26 1HD1 LEU 26 -4.032 5.910 -5.882
184 HD12 LEU 26 2HD1 LEU 26 -5.614 5.595 -5.170
185 HD13 LEU 26 3HD1 LEU 26 -4.159 5.455 -4.185
186 HD21 LEU 26 3HD2 LEU 26 -5.289 9.289 -5.621
187 HD22 LEU 26 1HD2 LEU 26 -6.553 8.059 -5.612
188 HD23 LEU 26 2HD2 LEU 26 -5.154 7.880 -6.673
189 H TYR 27 H TYR 27 -4.324 5.630 -0.792
190 HA TYR 27 HA TYR 27 -1.829 4.790 -2.143
191 HB2 TYR 27 2HB TYR 27 -2.602 4.778 0.723
192 HB3 TYR 27 1HB TYR 27 -1.604 3.462 0.106
193 HD1 TYR 27 2HD TYR 27 -1.794 7.170 -0.469
194 HD2 TYR 27 1HD TYR 27 0.661 3.768 0.437
195 HE1 TYR 27 2HE TYR 27 0.212 8.626 -0.418
196 HE2 TYR 27 1HE TYR 27 2.667 5.223 0.478
197 HH TYR 27 HH TYR 27 3.123 7.707 0.899
198 H ARG 28 H ARG 28 -1.487 2.428 -2.177
199 HA ARG 28 HA ARG 28 -4.051 1.055 -2.670
200 HB2 ARG 28 2HB ARG 28 -1.229 0.397 -3.568
201 HB3 ARG 28 1HB ARG 28 -2.659 -0.553 -3.964
202 HG2 ARG 28 2HG ARG 28 -2.446 2.393 -4.615
203 HG3 ARG 28 1HG ARG 28 -1.907 1.138 -5.732
204 HD2 ARG 28 2HD ARG 28 -4.214 0.111 -5.535
205 HD3 ARG 28 1HD ARG 28 -4.704 1.550 -4.648
206 HE ARG 28 HE ARG 28 -3.479 2.132 -7.196
207 HH11 ARG 28 1HH2 ARG 28 -6.373 1.312 -5.485
208 HH12 ARG 28 2HH2 ARG 28 -7.434 2.000 -6.669
209 HH21 ARG 28 1HH1 ARG 28 -4.861 3.034 -8.754
210 HH22 ARG 28 2HH1 ARG 28 -6.577 2.975 -8.521
211 H LEU 29 H LEU 29 -4.692 -0.602 -1.429
212 HA LEU 29 HA LEU 29 -2.875 -1.481 0.716
213 HB2 LEU 29 2HB LEU 29 -5.029 -0.602 1.451
214 HB3 LEU 29 1HB LEU 29 -5.874 -1.758 0.424
215 HG LEU 29 HG LEU 29 -4.976 -3.630 1.703
216 HD11 LEU 29 1HD1 LEU 29 -3.296 -1.442 2.881
217 HD12 LEU 29 2HD1 LEU 29 -2.831 -3.073 2.397
218 HD13 LEU 29 3HD1 LEU 29 -3.715 -2.819 3.901
219 HD21 LEU 29 3HD2 LEU 29 -5.770 -1.725 3.876
220 HD22 LEU 29 1HD2 LEU 29 -6.349 -3.360 3.555
221 HD23 LEU 29 2HD2 LEU 29 -6.922 -2.012 2.572
222 H CYS 30 H CYS 30 -1.686 -3.163 0.003
223 HA CYS 30 HA CYS 30 -3.110 -5.348 -1.376
224 HB2 CYS 30 2HB CYS 30 -0.856 -6.058 -2.141
225 HB3 CYS 30 1HB CYS 30 -1.315 -4.473 -2.723
226 H CYS 31 H CYS 31 -2.971 -7.481 -0.580
227 HA CYS 31 HA CYS 31 -1.644 -7.702 2.054
228 HB2 CYS 31 2HB CYS 31 -4.088 -9.191 1.104
229 HB3 CYS 31 1HB CYS 31 -3.391 -9.230 2.711
230 H ARG 32 H ARG 32 -0.260 -9.365 2.358
231 HA ARG 32 HA ARG 32 -0.210 -11.571 0.423
232 HB2 ARG 32 2HB ARG 32 2.149 -11.307 -0.025
233 HB3 ARG 32 1HB ARG 32 1.324 -9.800 -0.423
234 HG2 ARG 32 2HG ARG 32 1.892 -9.231 2.114
235 HG3 ARG 32 1HG ARG 32 3.180 -10.406 1.840
236 HD2 ARG 32 2HD ARG 32 3.881 -9.139 -0.172
237 HD3 ARG 32 1HD ARG 32 2.626 -7.950 0.161
238 HE ARG 32 HE ARG 32 3.905 -7.150 1.971
239 HH11 ARG 32 1HH2 ARG 32 5.262 -9.972 0.502
240 HH12 ARG 32 2HH2 ARG 32 6.793 -9.822 1.298
241 HH21 ARG 32 1HH1 ARG 32 5.914 -6.945 3.022
242 HH22 ARG 32 2HH1 ARG 32 7.161 -8.107 2.724
Start of MODEL 7
1 H1 ALA 1 1HT ALA 1 -1.596 -14.138 5.795
2 H2 ALA 1 2HT ALA 1 -3.091 -13.746 5.090
3 H3 ALA 1 3HT ALA 1 -2.537 -12.887 6.446
4 HA ALA 1 HA ALA 1 -0.644 -12.812 4.314
5 HB1 ALA 1 2HB ALA 1 -3.157 -12.903 3.318
6 HB2 ALA 1 3HB ALA 1 -1.877 -11.929 2.596
7 HB3 ALA 1 1HB ALA 1 -3.047 -11.180 3.682
8 H THR 2 H THR 2 -0.240 -10.364 3.904
9 HA THR 2 HA THR 2 -0.671 -8.886 6.428
10 HB THR 2 HB THR 2 1.792 -8.967 4.664
11 HG1 THR 2 1HG THR 2 2.510 -9.480 7.012
12 HG21 THR 2 3HG2 THR 2 2.257 -7.562 7.076
13 HG22 THR 2 1HG2 THR 2 0.782 -6.891 6.379
14 HG23 THR 2 2HG2 THR 2 2.271 -6.915 5.435
15 H CYS 3 H CYS 3 -2.121 -7.374 5.976
16 HA CYS 3 HA CYS 3 -2.213 -6.091 3.370
17 HB2 CYS 3 2HB CYS 3 -3.881 -5.704 5.869
18 HB3 CYS 3 1HB CYS 3 -4.163 -4.896 4.331
19 H TYR 4 H TYR 4 -1.502 -4.079 2.897
20 HA TYR 4 HA TYR 4 -0.972 -2.107 4.926
21 HB2 TYR 4 2HB TYR 4 1.439 -1.923 4.532
22 HB3 TYR 4 1HB TYR 4 1.036 -3.521 5.159
23 HD1 TYR 4 1HD TYR 4 1.888 -1.617 2.091
24 HD2 TYR 4 2HD TYR 4 1.349 -5.501 3.844
25 HE1 TYR 4 1HE TYR 4 2.905 -2.662 0.086
26 HE2 TYR 4 2HE TYR 4 2.367 -6.547 1.839
27 HH TYR 4 HH TYR 4 4.111 -5.634 -0.023
28 H CYS 5 H CYS 5 -0.477 -0.036 4.036
29 HA CYS 5 HA CYS 5 -1.379 0.237 1.275
30 HB2 CYS 5 2HB CYS 5 -0.625 2.529 3.058
31 HB3 CYS 5 1HB CYS 5 -1.819 2.459 1.781
32 H ARG 6 H ARG 6 -0.160 1.073 -0.381
33 HA ARG 6 HA ARG 6 2.635 1.807 0.196
34 HB2 ARG 6 2HB ARG 6 3.409 0.455 -1.702
35 HB3 ARG 6 1HB ARG 6 2.609 -0.563 -0.505
36 HG2 ARG 6 2HG ARG 6 0.810 -0.989 -1.859
37 HG3 ARG 6 1HG ARG 6 0.898 0.580 -2.657
38 HD2 ARG 6 2HD ARG 6 1.552 -1.445 -4.068
39 HD3 ARG 6 1HD ARG 6 2.691 -0.104 -4.045
40 HE ARG 6 HE ARG 6 3.074 -2.378 -2.199
41 HH11 ARG 6 1HH2 ARG 6 4.078 -0.399 -4.861
42 HH12 ARG 6 2HH2 ARG 6 5.686 -1.039 -4.907
43 HH21 ARG 6 1HH1 ARG 6 5.181 -3.220 -2.261
44 HH22 ARG 6 2HH1 ARG 6 6.310 -2.634 -3.437
45 H THR 7 H THR 7 3.604 3.167 -1.382
46 HA THR 7 HA THR 7 1.692 4.879 -2.740
47 HB THR 7 HB THR 7 3.488 5.977 -1.574
48 HG1 THR 7 1HG THR 7 4.515 7.015 -3.407
49 HG21 THR 7 3HG2 THR 7 5.763 5.200 -3.134
50 HG22 THR 7 1HG2 THR 7 4.995 3.746 -2.496
51 HG23 THR 7 2HG2 THR 7 5.512 5.024 -1.397
52 H GLY 8 H GLY 8 1.273 2.702 -4.043
53 HA2 GLY 8 2HA GLY 8 1.540 3.038 -6.674
54 HA3 GLY 8 1HA GLY 8 3.119 2.368 -6.278
55 H ARG 9 H ARG 9 2.320 0.665 -7.800
56 HA ARG 9 HA ARG 9 0.244 -1.113 -6.913
57 HB2 ARG 9 2HB ARG 9 2.200 -1.065 -9.158
58 HB3 ARG 9 1HB ARG 9 1.467 -2.610 -8.725
59 HG2 ARG 9 2HG ARG 9 -0.786 -1.367 -8.792
60 HG3 ARG 9 1HG ARG 9 0.088 -0.075 -9.620
61 HD2 ARG 9 2HD ARG 9 0.874 -1.757 -11.292
62 HD3 ARG 9 1HD ARG 9 -0.136 -2.958 -10.492
63 HE ARG 9 HE ARG 9 -2.056 -1.860 -11.343
64 HH11 ARG 9 1HH2 ARG 9 0.909 -0.250 -12.112
65 HH12 ARG 9 2HH2 ARG 9 0.204 0.773 -13.318
66 HH21 ARG 9 1HH1 ARG 9 -2.991 -0.517 -12.922
67 HH22 ARG 9 2HH1 ARG 9 -2.004 0.622 -13.776
68 H CYS 10 H CYS 10 0.572 -3.366 -6.398
69 HA CYS 10 HA CYS 10 3.031 -3.753 -4.789
70 HB2 CYS 10 2HB CYS 10 0.193 -4.614 -4.409
71 HB3 CYS 10 1HB CYS 10 1.480 -5.627 -3.758
72 H ALA 11 H ALA 11 2.992 -6.432 -4.387
73 HA ALA 11 HA ALA 11 3.917 -7.417 -6.947
74 HB1 ALA 11 1HB ALA 11 4.507 -7.955 -4.253
75 HB2 ALA 11 2HB ALA 11 5.205 -8.736 -5.673
76 HB3 ALA 11 3HB ALA 11 3.790 -9.438 -4.886
77 H THR 12 H THR 12 3.244 -9.513 -7.805
78 HA THR 12 HA THR 12 0.465 -9.654 -8.232
79 HB THR 12 HB THR 12 2.592 -11.762 -8.686
80 HG1 THR 12 1HG THR 12 3.072 -10.561 -10.318
81 HG21 THR 12 3HG2 THR 12 0.640 -12.994 -8.873
82 HG22 THR 12 1HG2 THR 12 0.751 -12.340 -10.508
83 HG23 THR 12 2HG2 THR 12 -0.325 -11.590 -9.329
84 H ARG 13 H ARG 13 2.610 -11.490 -6.101
85 HA ARG 13 HA ARG 13 0.759 -13.381 -5.177
86 HB2 ARG 13 2HB ARG 13 3.097 -12.114 -3.723
87 HB3 ARG 13 1HB ARG 13 2.251 -13.571 -3.207
88 HG2 ARG 13 2HG ARG 13 3.398 -13.389 -5.982
89 HG3 ARG 13 1HG ARG 13 4.428 -13.833 -4.621
90 HD2 ARG 13 2HD ARG 13 2.850 -15.662 -4.051
91 HD3 ARG 13 1HD ARG 13 1.874 -15.239 -5.454
92 HE ARG 13 HE ARG 13 3.484 -16.227 -6.826
93 HH11 ARG 13 1HH2 ARG 13 4.601 -15.873 -3.570
94 HH12 ARG 13 2HH2 ARG 13 6.009 -16.855 -3.800
95 HH21 ARG 13 1HH1 ARG 13 5.329 -17.516 -7.135
96 HH22 ARG 13 2HH1 ARG 13 6.421 -17.786 -5.817
97 H GLU 14 H GLU 14 1.262 -10.019 -4.338
98 HA GLU 14 HA GLU 14 -0.254 -10.050 -1.916
99 HB2 GLU 14 2HB GLU 14 -0.025 -7.562 -3.548
100 HB3 GLU 14 1HB GLU 14 0.173 -7.796 -1.811
101 HG2 GLU 14 2HG GLU 14 2.243 -9.255 -2.589
102 HG3 GLU 14 1HG GLU 14 2.139 -8.220 -4.010
103 H SER 15 H SER 15 -2.254 -8.632 -1.700
104 HA SER 15 HA SER 15 -4.028 -8.858 -4.041
105 HB2 SER 15 2HB SER 15 -5.827 -9.608 -2.377
106 HB3 SER 15 1HB SER 15 -4.615 -10.775 -2.868
107 HG SER 15 HG SER 15 -3.542 -10.466 -0.954
108 H LEU 16 H LEU 16 -5.320 -7.157 -4.319
109 HA LEU 16 HA LEU 16 -5.009 -4.872 -2.577
110 HB2 LEU 16 2HB LEU 16 -5.827 -5.324 -5.280
111 HB3 LEU 16 1HB LEU 16 -7.101 -4.426 -4.456
112 HG LEU 16 HG LEU 16 -5.354 -2.946 -5.480
113 HD11 LEU 16 1HD1 LEU 16 -6.541 -2.812 -2.945
114 HD12 LEU 16 2HD1 LEU 16 -5.820 -1.472 -3.836
115 HD13 LEU 16 3HD1 LEU 16 -4.854 -2.378 -2.670
116 HD21 LEU 16 3HD2 LEU 16 -3.605 -4.838 -4.414
117 HD22 LEU 16 1HD2 LEU 16 -3.394 -3.436 -3.365
118 HD23 LEU 16 2HD2 LEU 16 -3.148 -3.282 -5.105
119 H SER 17 H SER 17 -6.267 -4.304 -0.933
120 HA SER 17 HA SER 17 -8.819 -5.740 -0.577
121 HB2 SER 17 2HB SER 17 -8.579 -5.322 1.783
122 HB3 SER 17 1HB SER 17 -7.050 -5.963 1.194
123 HG SER 17 HG SER 17 -7.298 -3.229 1.023
124 H GLY 18 H GLY 18 -7.424 -2.648 -1.143
125 HA2 GLY 18 2HA GLY 18 -9.728 -1.308 -1.808
126 HA3 GLY 18 1HA GLY 18 -9.560 -1.060 -0.072
127 H VAL 19 H VAL 19 -9.474 1.211 -1.285
128 HA VAL 19 HA VAL 19 -6.713 1.864 -2.066
129 HB VAL 19 HB VAL 19 -8.169 2.888 -3.576
130 HG11 VAL 19 1HG1 VAL 19 -10.347 2.599 -2.949
131 HG12 VAL 19 2HG1 VAL 19 -10.185 4.249 -2.350
132 HG13 VAL 19 3HG1 VAL 19 -9.999 2.887 -1.244
133 HG21 VAL 19 3HG2 VAL 19 -6.655 4.525 -2.309
134 HG22 VAL 19 1HG2 VAL 19 -8.105 5.011 -1.428
135 HG23 VAL 19 2HG2 VAL 19 -8.021 5.229 -3.178
136 H CYS 20 H CYS 20 -5.362 2.498 -0.528
137 HA CYS 20 HA CYS 20 -6.271 3.338 2.079
138 HB2 CYS 20 2HB CYS 20 -3.657 2.776 0.778
139 HB3 CYS 20 1HB CYS 20 -3.657 3.786 2.224
140 H GLU 21 H GLU 21 -5.064 5.318 3.051
141 HA GLU 21 HA GLU 21 -4.920 7.547 1.140
142 HB2 GLU 21 2HB GLU 21 -6.685 7.484 3.600
143 HB3 GLU 21 1HB GLU 21 -6.324 8.938 2.667
144 HG2 GLU 21 2HG GLU 21 -8.343 8.225 1.717
145 HG3 GLU 21 1HG GLU 21 -7.144 7.531 0.626
146 H ILE 22 H ILE 22 -2.872 8.190 1.451
147 HA ILE 22 HA ILE 22 -2.001 8.723 4.227
148 HB ILE 22 HB ILE 22 -0.334 7.534 1.999
149 HG12 ILE 22 2HG1 ILE 22 -0.965 6.327 4.698
150 HG13 ILE 22 1HG1 ILE 22 -2.020 6.065 3.309
151 HG21 ILE 22 1HG2 ILE 22 1.468 7.495 3.652
152 HG22 ILE 22 2HG2 ILE 22 0.404 8.208 4.864
153 HG23 ILE 22 3HG2 ILE 22 0.891 9.150 3.455
154 HD11 ILE 22 3HD1 ILE 22 -0.586 4.604 2.369
155 HD12 ILE 22 1HD1 ILE 22 0.233 4.572 3.931
156 HD13 ILE 22 2HD1 ILE 22 0.799 5.656 2.659
157 H SER 23 H SER 23 -1.059 10.670 4.560
158 HA SER 23 HA SER 23 -0.394 12.829 4.148
159 HB2 SER 23 2HB SER 23 1.360 13.067 2.669
160 HB3 SER 23 1HB SER 23 1.352 11.315 2.850
161 HG SER 23 HG SER 23 1.050 11.302 0.775
162 H GLY 24 H GLY 24 -3.038 11.826 3.165
163 HA2 GLY 24 2HA GLY 24 -4.857 12.930 2.236
164 HA3 GLY 24 1HA GLY 24 -3.765 14.197 1.684
165 H ARG 25 H ARG 25 -2.412 11.345 0.752
166 HA ARG 25 HA ARG 25 -3.591 11.550 -1.942
167 HB2 ARG 25 2HB ARG 25 -1.230 11.998 -1.966
168 HB3 ARG 25 1HB ARG 25 -0.898 10.551 -1.018
169 HG2 ARG 25 2HG ARG 25 -1.740 9.135 -2.838
170 HG3 ARG 25 1HG ARG 25 -2.136 10.569 -3.786
171 HD2 ARG 25 2HD ARG 25 0.647 9.876 -2.821
172 HD3 ARG 25 1HD ARG 25 0.043 9.530 -4.439
173 HE ARG 25 HE ARG 25 0.828 12.123 -3.401
174 HH11 ARG 25 1HH2 ARG 25 -1.002 10.342 -5.736
175 HH12 ARG 25 2HH2 ARG 25 -1.041 11.629 -6.894
176 HH21 ARG 25 1HH1 ARG 25 0.784 13.817 -4.916
177 HH22 ARG 25 2HH1 ARG 25 -0.029 13.597 -6.430
178 H LEU 26 H LEU 26 -4.243 9.711 -3.047
179 HA LEU 26 HA LEU 26 -5.293 7.611 -1.421
180 HB2 LEU 26 2HB LEU 26 -5.069 7.910 -4.427
181 HB3 LEU 26 1HB LEU 26 -5.949 6.610 -3.623
182 HG LEU 26 HG LEU 26 -6.500 9.555 -3.170
183 HD11 LEU 26 1HD1 LEU 26 -8.560 9.100 -4.536
184 HD12 LEU 26 2HD1 LEU 26 -7.873 7.531 -4.963
185 HD13 LEU 26 3HD1 LEU 26 -7.066 9.016 -5.468
186 HD21 LEU 26 3HD2 LEU 26 -7.527 8.636 -1.356
187 HD22 LEU 26 1HD2 LEU 26 -7.471 7.009 -2.037
188 HD23 LEU 26 2HD2 LEU 26 -8.750 8.124 -2.520
189 H TYR 27 H TYR 27 -4.468 5.679 -0.925
190 HA TYR 27 HA TYR 27 -1.969 4.824 -2.252
191 HB2 TYR 27 2HB TYR 27 -2.736 4.893 0.614
192 HB3 TYR 27 1HB TYR 27 -1.747 3.554 0.041
193 HD1 TYR 27 2HD TYR 27 -1.936 7.252 -0.575
194 HD2 TYR 27 1HD TYR 27 0.537 3.849 0.285
195 HE1 TYR 27 2HE TYR 27 0.075 8.704 -0.568
196 HE2 TYR 27 1HE TYR 27 2.543 5.305 0.289
197 HH TYR 27 HH TYR 27 3.126 7.629 -0.853
198 H ARG 28 H ARG 28 -1.623 2.484 -2.291
199 HA ARG 28 HA ARG 28 -4.185 1.069 -2.685
200 HB2 ARG 28 2HB ARG 28 -1.394 0.597 -3.752
201 HB3 ARG 28 1HB ARG 28 -2.690 -0.588 -3.925
202 HG2 ARG 28 2HG ARG 28 -4.075 1.092 -5.080
203 HG3 ARG 28 1HG ARG 28 -2.785 2.281 -4.905
204 HD2 ARG 28 2HD ARG 28 -1.281 0.845 -6.231
205 HD3 ARG 28 1HD ARG 28 -2.567 -0.345 -6.404
206 HE ARG 28 HE ARG 28 -2.283 2.087 -7.904
207 HH11 ARG 28 1HH2 ARG 28 -4.531 -0.155 -6.526
208 HH12 ARG 28 2HH2 ARG 28 -5.787 0.189 -7.667
209 HH21 ARG 28 1HH1 ARG 28 -3.926 2.543 -9.407
210 HH22 ARG 28 2HH1 ARG 28 -5.444 1.716 -9.299
211 H LEU 29 H LEU 29 -4.749 -0.597 -1.419
212 HA LEU 29 HA LEU 29 -2.838 -1.438 0.660
213 HB2 LEU 29 2HB LEU 29 -4.951 -0.565 1.503
214 HB3 LEU 29 1HB LEU 29 -5.849 -1.707 0.506
215 HG LEU 29 HG LEU 29 -4.909 -3.592 1.729
216 HD11 LEU 29 1HD1 LEU 29 -2.739 -3.055 2.334
217 HD12 LEU 29 2HD1 LEU 29 -3.556 -2.819 3.878
218 HD13 LEU 29 3HD1 LEU 29 -3.171 -1.428 2.863
219 HD21 LEU 29 3HD2 LEU 29 -5.596 -1.744 3.974
220 HD22 LEU 29 1HD2 LEU 29 -6.238 -3.343 3.601
221 HD23 LEU 29 2HD2 LEU 29 -6.795 -1.935 2.696
222 H CYS 30 H CYS 30 -1.662 -3.090 -0.158
223 HA CYS 30 HA CYS 30 -3.115 -5.294 -1.454
224 HB2 CYS 30 2HB CYS 30 -0.902 -6.030 -2.257
225 HB3 CYS 30 1HB CYS 30 -1.290 -4.404 -2.794
226 H CYS 31 H CYS 31 -2.937 -7.438 -0.674
227 HA CYS 31 HA CYS 31 -1.630 -7.671 1.966
228 HB2 CYS 31 2HB CYS 31 -4.099 -9.133 1.033
229 HB3 CYS 31 1HB CYS 31 -3.396 -9.157 2.640
230 H ARG 32 H ARG 32 -0.205 -9.292 2.202
231 HA ARG 32 HA ARG 32 -0.225 -11.507 0.264
232 HB2 ARG 32 2HB ARG 32 2.156 -11.313 -0.114
233 HB3 ARG 32 1HB ARG 32 1.388 -9.776 -0.514
234 HG2 ARG 32 2HG ARG 32 1.901 -9.246 2.037
235 HG3 ARG 32 1HG ARG 32 3.152 -10.469 1.800
236 HD2 ARG 32 2HD ARG 32 3.969 -9.218 -0.179
237 HD3 ARG 32 1HD ARG 32 2.751 -7.980 0.125
238 HE ARG 32 HE ARG 32 4.011 -7.244 1.976
239 HH11 ARG 32 1HH2 ARG 32 5.276 -10.135 0.557
240 HH12 ARG 32 2HH2 ARG 32 6.783 -10.061 1.410
241 HH21 ARG 32 1HH1 ARG 32 5.985 -7.142 3.102
242 HH22 ARG 32 2HH1 ARG 32 7.183 -8.366 2.851
Start of MODEL 8
1 H1 ALA 1 1HT ALA 1 -3.251 -13.532 5.296
2 H2 ALA 1 2HT ALA 1 -2.212 -13.062 6.556
3 H3 ALA 1 3HT ALA 1 -1.759 -14.311 5.499
4 HA ALA 1 HA ALA 1 -0.688 -12.811 4.293
5 HB1 ALA 1 2HB ALA 1 -3.215 -12.940 3.344
6 HB2 ALA 1 3HB ALA 1 -1.971 -11.928 2.609
7 HB3 ALA 1 1HB ALA 1 -3.136 -11.221 3.729
8 H THR 2 H THR 2 -0.255 -10.394 3.932
9 HA THR 2 HA THR 2 -0.718 -8.917 6.451
10 HB THR 2 HB THR 2 1.768 -8.992 4.717
11 HG1 THR 2 1HG THR 2 2.500 -10.279 6.200
12 HG21 THR 2 3HG2 THR 2 0.773 -7.059 6.718
13 HG22 THR 2 1HG2 THR 2 1.964 -6.841 5.436
14 HG23 THR 2 2HG2 THR 2 2.436 -7.595 6.959
15 H CYS 3 H CYS 3 -2.151 -7.383 5.992
16 HA CYS 3 HA CYS 3 -2.207 -6.106 3.381
17 HB2 CYS 3 2HB CYS 3 -3.909 -5.682 5.853
18 HB3 CYS 3 1HB CYS 3 -4.175 -4.920 4.292
19 H TYR 4 H TYR 4 -1.497 -4.089 2.918
20 HA TYR 4 HA TYR 4 -0.963 -2.132 4.964
21 HB2 TYR 4 2HB TYR 4 1.443 -1.948 4.580
22 HB3 TYR 4 1HB TYR 4 1.041 -3.558 5.176
23 HD1 TYR 4 1HD TYR 4 1.971 -1.591 2.182
24 HD2 TYR 4 2HD TYR 4 1.278 -5.516 3.784
25 HE1 TYR 4 1HE TYR 4 2.990 -2.597 0.157
26 HE2 TYR 4 2HE TYR 4 2.295 -6.522 1.758
27 HH TYR 4 HH TYR 4 3.225 -4.539 -1.009
28 H CYS 5 H CYS 5 -0.447 -0.062 4.090
29 HA CYS 5 HA CYS 5 -1.375 0.250 1.338
30 HB2 CYS 5 2HB CYS 5 -0.590 2.499 3.172
31 HB3 CYS 5 1HB CYS 5 -1.746 2.495 1.881
32 H ARG 6 H ARG 6 -0.191 1.243 -0.293
33 HA ARG 6 HA ARG 6 2.622 1.896 0.251
34 HB2 ARG 6 2HB ARG 6 3.393 0.557 -1.639
35 HB3 ARG 6 1HB ARG 6 2.551 -0.478 -0.481
36 HG2 ARG 6 2HG ARG 6 0.696 -0.746 -1.849
37 HG3 ARG 6 1HG ARG 6 0.985 0.757 -2.719
38 HD2 ARG 6 2HD ARG 6 1.507 -1.469 -3.928
39 HD3 ARG 6 1HD ARG 6 2.688 -0.169 -4.031
40 HE ARG 6 HE ARG 6 3.026 -2.173 -1.908
41 HH11 ARG 6 1HH2 ARG 6 3.955 -0.810 -4.950
42 HH12 ARG 6 2HH2 ARG 6 5.504 -1.582 -4.979
43 HH21 ARG 6 1HH1 ARG 6 5.056 -3.187 -1.940
44 HH22 ARG 6 2HH1 ARG 6 6.128 -2.928 -3.276
45 H THR 7 H THR 7 3.610 3.186 -1.419
46 HA THR 7 HA THR 7 1.710 4.993 -2.665
47 HB THR 7 HB THR 7 4.730 5.032 -2.823
48 HG1 THR 7 1HG THR 7 4.150 6.762 -1.137
49 HG21 THR 7 3HG2 THR 7 4.385 7.413 -3.295
50 HG22 THR 7 1HG2 THR 7 2.641 7.205 -3.149
51 HG23 THR 7 2HG2 THR 7 3.514 6.431 -4.470
52 H GLY 8 H GLY 8 1.109 2.815 -3.919
53 HA2 GLY 8 2HA GLY 8 1.161 3.106 -6.548
54 HA3 GLY 8 1HA GLY 8 2.776 2.452 -6.298
55 H ARG 9 H ARG 9 1.911 0.712 -7.706
56 HA ARG 9 HA ARG 9 -0.074 -1.074 -6.614
57 HB2 ARG 9 2HB ARG 9 1.575 -0.938 -9.080
58 HB3 ARG 9 1HB ARG 9 1.031 -2.538 -8.571
59 HG2 ARG 9 2HG ARG 9 -1.306 -1.433 -8.319
60 HG3 ARG 9 1HG ARG 9 -0.632 -0.129 -9.298
61 HD2 ARG 9 2HD ARG 9 -0.569 -3.041 -10.104
62 HD3 ARG 9 1HD ARG 9 -1.829 -1.919 -10.612
63 HE ARG 9 HE ARG 9 0.662 -0.780 -11.246
64 HH11 ARG 9 1HH2 ARG 9 -1.343 -3.474 -12.082
65 HH12 ARG 9 2HH2 ARG 9 -0.761 -3.579 -13.710
66 HH21 ARG 9 1HH1 ARG 9 1.429 -0.910 -13.380
67 HH22 ARG 9 2HH1 ARG 9 0.808 -2.127 -14.444
68 H CYS 10 H CYS 10 0.337 -3.322 -6.118
69 HA CYS 10 HA CYS 10 2.937 -3.654 -4.752
70 HB2 CYS 10 2HB CYS 10 0.179 -4.677 -4.245
71 HB3 CYS 10 1HB CYS 10 1.547 -5.645 -3.706
72 H ALA 11 H ALA 11 2.947 -6.391 -4.448
73 HA ALA 11 HA ALA 11 3.795 -7.228 -7.094
74 HB1 ALA 11 1HB ALA 11 4.399 -7.949 -4.380
75 HB2 ALA 11 2HB ALA 11 5.256 -8.392 -5.857
76 HB3 ALA 11 3HB ALA 11 3.927 -9.394 -5.273
77 H THR 12 H THR 12 3.158 -9.360 -7.956
78 HA THR 12 HA THR 12 0.372 -9.566 -8.295
79 HB THR 12 HB THR 12 2.518 -11.645 -8.792
80 HG1 THR 12 1HG THR 12 1.934 -9.317 -9.949
81 HG21 THR 12 3HG2 THR 12 -0.408 -11.495 -9.379
82 HG22 THR 12 1HG2 THR 12 0.583 -12.895 -8.967
83 HG23 THR 12 2HG2 THR 12 0.647 -12.217 -10.594
84 H ARG 13 H ARG 13 2.623 -11.399 -6.255
85 HA ARG 13 HA ARG 13 0.831 -13.315 -5.274
86 HB2 ARG 13 2HB ARG 13 3.154 -12.017 -3.818
87 HB3 ARG 13 1HB ARG 13 2.392 -13.551 -3.398
88 HG2 ARG 13 2HG ARG 13 3.610 -13.042 -6.115
89 HG3 ARG 13 1HG ARG 13 4.534 -13.723 -4.776
90 HD2 ARG 13 2HD ARG 13 2.757 -15.509 -4.581
91 HD3 ARG 13 1HD ARG 13 2.056 -14.885 -6.069
92 HE ARG 13 HE ARG 13 4.879 -15.693 -6.100
93 HH11 ARG 13 1HH2 ARG 13 1.568 -16.208 -6.967
94 HH12 ARG 13 2HH2 ARG 13 1.929 -17.364 -8.204
95 HH21 ARG 13 1HH1 ARG 13 5.359 -17.210 -7.721
96 HH22 ARG 13 2HH1 ARG 13 4.075 -17.932 -8.632
97 H GLU 14 H GLU 14 1.295 -9.953 -4.426
98 HA GLU 14 HA GLU 14 -0.164 -10.031 -1.969
99 HB2 GLU 14 2HB GLU 14 -0.010 -7.529 -3.579
100 HB3 GLU 14 1HB GLU 14 0.230 -7.778 -1.848
101 HG2 GLU 14 2HG GLU 14 2.289 -9.238 -2.793
102 HG3 GLU 14 1HG GLU 14 2.164 -8.032 -4.072
103 H SER 15 H SER 15 -2.210 -8.806 -1.641
104 HA SER 15 HA SER 15 -4.022 -9.029 -3.966
105 HB2 SER 15 2HB SER 15 -5.768 -9.732 -2.190
106 HB3 SER 15 1HB SER 15 -4.596 -10.904 -2.730
107 HG SER 15 HG SER 15 -5.032 -10.113 -0.282
108 H LEU 16 H LEU 16 -5.310 -7.327 -4.277
109 HA LEU 16 HA LEU 16 -5.001 -5.004 -2.584
110 HB2 LEU 16 2HB LEU 16 -5.794 -5.510 -5.280
111 HB3 LEU 16 1HB LEU 16 -7.086 -4.612 -4.484
112 HG LEU 16 HG LEU 16 -5.338 -3.138 -5.525
113 HD11 LEU 16 1HD1 LEU 16 -6.370 -1.890 -3.912
114 HD12 LEU 16 2HD1 LEU 16 -4.821 -2.054 -3.086
115 HD13 LEU 16 3HD1 LEU 16 -6.157 -3.129 -2.675
116 HD21 LEU 16 3HD2 LEU 16 -3.136 -3.452 -5.103
117 HD22 LEU 16 1HD2 LEU 16 -3.592 -4.980 -4.350
118 HD23 LEU 16 2HD2 LEU 16 -3.414 -3.528 -3.362
119 H SER 17 H SER 17 -6.256 -4.434 -0.937
120 HA SER 17 HA SER 17 -8.818 -5.855 -0.587
121 HB2 SER 17 2HB SER 17 -8.579 -5.504 1.758
122 HB3 SER 17 1HB SER 17 -7.004 -6.032 1.183
123 HG SER 17 HG SER 17 -7.092 -3.421 0.909
124 H GLY 18 H GLY 18 -7.369 -2.753 -1.059
125 HA2 GLY 18 2HA GLY 18 -9.677 -1.423 -1.794
126 HA3 GLY 18 1HA GLY 18 -9.514 -1.146 -0.062
127 H VAL 19 H VAL 19 -9.417 1.101 -1.315
128 HA VAL 19 HA VAL 19 -6.650 1.726 -2.104
129 HB VAL 19 HB VAL 19 -8.024 2.774 -3.639
130 HG11 VAL 19 1HG1 VAL 19 -10.241 3.753 -3.043
131 HG12 VAL 19 2HG1 VAL 19 -9.994 3.228 -1.377
132 HG13 VAL 19 3HG1 VAL 19 -10.139 2.033 -2.665
133 HG21 VAL 19 3HG2 VAL 19 -8.183 4.858 -1.455
134 HG22 VAL 19 1HG2 VAL 19 -8.025 5.115 -3.193
135 HG23 VAL 19 2HG2 VAL 19 -6.669 4.464 -2.270
136 H CYS 20 H CYS 20 -5.297 2.386 -0.581
137 HA CYS 20 HA CYS 20 -6.213 3.293 1.999
138 HB2 CYS 20 2HB CYS 20 -3.587 2.687 0.738
139 HB3 CYS 20 1HB CYS 20 -3.598 3.734 2.158
140 H GLU 21 H GLU 21 -4.888 5.283 2.903
141 HA GLU 21 HA GLU 21 -4.701 7.459 0.951
142 HB2 GLU 21 2HB GLU 21 -6.637 7.475 3.281
143 HB3 GLU 21 1HB GLU 21 -6.192 8.903 2.347
144 HG2 GLU 21 2HG GLU 21 -7.025 7.850 0.293
145 HG3 GLU 21 1HG GLU 21 -7.429 6.389 1.192
146 H ILE 22 H ILE 22 -2.738 8.249 1.375
147 HA ILE 22 HA ILE 22 -2.001 8.727 4.202
148 HB ILE 22 HB ILE 22 0.036 8.027 2.109
149 HG12 ILE 22 2HG1 ILE 22 -1.760 6.231 2.270
150 HG13 ILE 22 1HG1 ILE 22 -0.132 5.699 2.681
151 HG21 ILE 22 1HG2 ILE 22 -0.117 7.975 5.125
152 HG22 ILE 22 2HG2 ILE 22 0.960 8.940 4.116
153 HG23 ILE 22 3HG2 ILE 22 1.185 7.195 4.228
154 HD11 ILE 22 3HD1 ILE 22 -0.609 5.944 5.059
155 HD12 ILE 22 1HD1 ILE 22 -1.834 4.912 4.322
156 HD13 ILE 22 2HD1 ILE 22 -2.203 6.592 4.700
157 H SER 23 H SER 23 -1.274 10.724 4.650
158 HA SER 23 HA SER 23 -0.798 12.954 4.358
159 HB2 SER 23 2HB SER 23 0.746 13.374 2.301
160 HB3 SER 23 1HB SER 23 1.347 12.393 3.633
161 HG SER 23 HG SER 23 0.938 11.717 1.064
162 H GLY 24 H GLY 24 -3.246 11.843 3.152
163 HA2 GLY 24 2HA GLY 24 -5.030 12.882 2.068
164 HA3 GLY 24 1HA GLY 24 -3.923 14.128 1.499
165 H ARG 25 H ARG 25 -2.140 11.739 0.634
166 HA ARG 25 HA ARG 25 -3.161 11.641 -2.073
167 HB2 ARG 25 2HB ARG 25 -0.742 11.935 -1.597
168 HB3 ARG 25 1HB ARG 25 -0.720 10.323 -0.901
169 HG2 ARG 25 2HG ARG 25 -1.496 9.385 -3.058
170 HG3 ARG 25 1HG ARG 25 -1.470 11.006 -3.754
171 HD2 ARG 25 2HD ARG 25 0.984 11.117 -3.088
172 HD3 ARG 25 1HD ARG 25 0.878 9.397 -2.731
173 HE ARG 25 HE ARG 25 1.071 10.569 -5.328
174 HH11 ARG 25 1HH2 ARG 25 -0.380 8.008 -3.513
175 HH12 ARG 25 2HH2 ARG 25 -0.511 6.937 -4.868
176 HH21 ARG 25 1HH1 ARG 25 0.902 9.173 -7.109
177 HH22 ARG 25 2HH1 ARG 25 0.215 7.597 -6.905
178 H LEU 26 H LEU 26 -3.544 9.687 -3.246
179 HA LEU 26 HA LEU 26 -4.965 7.726 -1.661
180 HB2 LEU 26 2HB LEU 26 -4.563 8.206 -4.609
181 HB3 LEU 26 1HB LEU 26 -5.263 6.690 -4.037
182 HG LEU 26 HG LEU 26 -6.954 8.497 -4.588
183 HD11 LEU 26 1HD1 LEU 26 -7.574 8.200 -1.805
184 HD12 LEU 26 2HD1 LEU 26 -6.793 6.721 -2.360
185 HD13 LEU 26 3HD1 LEU 26 -8.242 7.311 -3.173
186 HD21 LEU 26 3HD2 LEU 26 -5.886 9.744 -2.038
187 HD22 LEU 26 1HD2 LEU 26 -7.185 10.361 -3.057
188 HD23 LEU 26 2HD2 LEU 26 -5.524 10.354 -3.653
189 H TYR 27 H TYR 27 -4.267 5.780 -1.052
190 HA TYR 27 HA TYR 27 -1.724 4.774 -2.176
191 HB2 TYR 27 2HB TYR 27 -2.657 4.990 0.625
192 HB3 TYR 27 1HB TYR 27 -1.707 3.584 0.163
193 HD1 TYR 27 2HD TYR 27 -1.672 7.271 -0.507
194 HD2 TYR 27 1HD TYR 27 0.582 3.743 0.455
195 HE1 TYR 27 2HE TYR 27 0.413 8.612 -0.423
196 HE2 TYR 27 1HE TYR 27 2.662 5.092 0.532
197 HH TYR 27 HH TYR 27 3.452 7.241 0.668
198 H ARG 28 H ARG 28 -1.499 2.475 -2.306
199 HA ARG 28 HA ARG 28 -4.095 1.131 -2.701
200 HB2 ARG 28 2HB ARG 28 -1.306 0.593 -3.739
201 HB3 ARG 28 1HB ARG 28 -2.616 -0.578 -3.904
202 HG2 ARG 28 2HG ARG 28 -2.811 0.613 -5.901
203 HG3 ARG 28 1HG ARG 28 -3.945 1.481 -4.867
204 HD2 ARG 28 2HD ARG 28 -2.168 3.118 -4.318
205 HD3 ARG 28 1HD ARG 28 -1.066 2.266 -5.394
206 HE ARG 28 HE ARG 28 -3.381 2.923 -6.850
207 HH11 ARG 28 1HH2 ARG 28 -0.706 4.418 -5.243
208 HH12 ARG 28 2HH2 ARG 28 -0.674 5.800 -6.287
209 HH21 ARG 28 1HH1 ARG 28 -3.346 4.733 -8.222
210 HH22 ARG 28 2HH1 ARG 28 -2.169 5.979 -7.971
211 H LEU 29 H LEU 29 -4.699 -0.590 -1.514
212 HA LEU 29 HA LEU 29 -2.879 -1.443 0.636
213 HB2 LEU 29 2HB LEU 29 -5.022 -0.550 1.403
214 HB3 LEU 29 1HB LEU 29 -5.886 -1.698 0.378
215 HG LEU 29 HG LEU 29 -4.993 -3.585 1.634
216 HD11 LEU 29 1HD1 LEU 29 -3.272 -1.424 2.804
217 HD12 LEU 29 2HD1 LEU 29 -2.843 -3.066 2.327
218 HD13 LEU 29 3HD1 LEU 29 -3.713 -2.785 3.835
219 HD21 LEU 29 3HD2 LEU 29 -5.784 -1.641 3.793
220 HD22 LEU 29 1HD2 LEU 29 -6.306 -3.307 3.543
221 HD23 LEU 29 2HD2 LEU 29 -6.942 -2.020 2.518
222 H CYS 30 H CYS 30 -1.710 -3.143 -0.037
223 HA CYS 30 HA CYS 30 -3.128 -5.334 -1.404
224 HB2 CYS 30 2HB CYS 30 -0.937 -6.049 -2.221
225 HB3 CYS 30 1HB CYS 30 -1.287 -4.403 -2.705
226 H CYS 31 H CYS 31 -2.880 -7.486 -0.653
227 HA CYS 31 HA CYS 31 -1.635 -7.710 2.014
228 HB2 CYS 31 2HB CYS 31 -4.084 -9.172 1.057
229 HB3 CYS 31 1HB CYS 31 -3.404 -9.201 2.663
230 H ARG 32 H ARG 32 -0.404 -9.490 2.414
231 HA ARG 32 HA ARG 32 -0.309 -11.645 0.423
232 HB2 ARG 32 2HB ARG 32 2.136 -11.474 0.210
233 HB3 ARG 32 1HB ARG 32 1.333 -10.021 -0.388
234 HG2 ARG 32 2HG ARG 32 1.675 -9.104 2.017
235 HG3 ARG 32 1HG ARG 32 2.851 -10.407 2.187
236 HD2 ARG 32 2HD ARG 32 3.975 -9.577 0.101
237 HD3 ARG 32 1HD ARG 32 2.865 -8.206 0.110
238 HE ARG 32 HE ARG 32 4.293 -8.529 2.602
239 HH11 ARG 32 1HH2 ARG 32 4.373 -7.262 -0.616
240 HH12 ARG 32 2HH2 ARG 32 5.530 -6.026 -0.249
241 HH21 ARG 32 1HH1 ARG 32 5.810 -6.912 3.093
242 HH22 ARG 32 2HH1 ARG 32 6.343 -5.828 1.851
Start of MODEL 9
1 H1 ALA 1 1HT ALA 1 -2.808 -13.972 4.895
2 H2 ALA 1 2HT ALA 1 -2.920 -12.811 6.131
3 H3 ALA 1 3HT ALA 1 -1.602 -13.883 6.084
4 HA ALA 1 HA ALA 1 -0.559 -12.792 4.391
5 HB1 ALA 1 2HB ALA 1 -1.813 -11.272 2.842
6 HB2 ALA 1 3HB ALA 1 -3.300 -11.711 3.679
7 HB3 ALA 1 1HB ALA 1 -2.391 -12.938 2.798
8 H THR 2 H THR 2 -0.198 -10.302 3.965
9 HA THR 2 HA THR 2 -0.763 -8.845 6.472
10 HB THR 2 HB THR 2 1.780 -8.866 4.828
11 HG1 THR 2 1HG THR 2 2.537 -10.091 6.369
12 HG21 THR 2 3HG2 THR 2 0.668 -6.933 6.731
13 HG22 THR 2 1HG2 THR 2 1.998 -6.750 5.589
14 HG23 THR 2 2HG2 THR 2 2.283 -7.492 7.162
15 H CYS 3 H CYS 3 -2.149 -7.301 6.004
16 HA CYS 3 HA CYS 3 -2.195 -6.035 3.387
17 HB2 CYS 3 2HB CYS 3 -3.896 -5.594 5.853
18 HB3 CYS 3 1HB CYS 3 -4.159 -4.849 4.280
19 H TYR 4 H TYR 4 -1.462 -4.028 2.919
20 HA TYR 4 HA TYR 4 -0.954 -2.057 4.961
21 HB2 TYR 4 2HB TYR 4 1.462 -1.868 4.565
22 HB3 TYR 4 1HB TYR 4 1.058 -3.462 5.202
23 HD1 TYR 4 1HD TYR 4 2.043 -1.570 2.189
24 HD2 TYR 4 2HD TYR 4 1.244 -5.454 3.840
25 HE1 TYR 4 1HE TYR 4 3.067 -2.628 0.193
26 HE2 TYR 4 2HE TYR 4 2.268 -6.513 1.845
27 HH TYR 4 HH TYR 4 3.967 -5.852 0.083
28 H CYS 5 H CYS 5 -0.395 0.015 4.070
29 HA CYS 5 HA CYS 5 -1.333 0.309 1.321
30 HB2 CYS 5 2HB CYS 5 -0.525 2.562 3.139
31 HB3 CYS 5 1HB CYS 5 -1.695 2.552 1.838
32 H ARG 6 H ARG 6 -0.113 1.111 -0.347
33 HA ARG 6 HA ARG 6 2.680 1.862 0.194
34 HB2 ARG 6 2HB ARG 6 3.484 0.420 -1.610
35 HB3 ARG 6 1HB ARG 6 2.659 -0.547 -0.389
36 HG2 ARG 6 2HG ARG 6 0.908 -1.053 -1.764
37 HG3 ARG 6 1HG ARG 6 0.982 0.489 -2.617
38 HD2 ARG 6 2HD ARG 6 1.690 -1.528 -3.972
39 HD3 ARG 6 1HD ARG 6 2.857 -0.212 -3.915
40 HE ARG 6 HE ARG 6 3.140 -2.424 -1.993
41 HH11 ARG 6 1HH2 ARG 6 4.195 -0.691 -4.800
42 HH12 ARG 6 2HH2 ARG 6 5.765 -1.419 -4.826
43 HH21 ARG 6 1HH1 ARG 6 5.196 -3.383 -2.026
44 HH22 ARG 6 2HH1 ARG 6 6.332 -2.943 -3.258
45 H THR 7 H THR 7 3.662 3.101 -1.507
46 HA THR 7 HA THR 7 1.767 4.810 -2.869
47 HB THR 7 HB THR 7 4.768 4.849 -3.183
48 HG1 THR 7 1HG THR 7 4.123 4.828 -0.957
49 HG21 THR 7 3HG2 THR 7 3.042 7.268 -3.015
50 HG22 THR 7 1HG2 THR 7 2.916 6.289 -4.476
51 HG23 THR 7 2HG2 THR 7 4.472 6.972 -4.003
52 H GLY 8 H GLY 8 0.911 2.932 -4.156
53 HA2 GLY 8 2HA GLY 8 0.961 2.915 -6.708
54 HA3 GLY 8 1HA GLY 8 2.609 2.336 -6.502
55 H ARG 9 H ARG 9 1.451 0.605 -7.897
56 HA ARG 9 HA ARG 9 -0.292 -1.238 -6.587
57 HB2 ARG 9 2HB ARG 9 1.184 -1.152 -9.156
58 HB3 ARG 9 1HB ARG 9 0.723 -2.745 -8.553
59 HG2 ARG 9 2HG ARG 9 -1.626 -1.753 -8.205
60 HG3 ARG 9 1HG ARG 9 -1.076 -0.402 -9.196
61 HD2 ARG 9 2HD ARG 9 -0.515 -1.950 -11.013
62 HD3 ARG 9 1HD ARG 9 -1.018 -3.309 -10.012
63 HE ARG 9 HE ARG 9 -3.265 -2.696 -10.358
64 HH11 ARG 9 1HH2 ARG 9 -1.028 -0.416 -11.684
65 HH12 ARG 9 2HH2 ARG 9 -2.221 0.426 -12.614
66 HH21 ARG 9 1HH1 ARG 9 -4.840 -1.596 -11.574
67 HH22 ARG 9 2HH1 ARG 9 -4.381 -0.240 -12.551
68 H CYS 10 H CYS 10 0.230 -3.487 -6.119
69 HA CYS 10 HA CYS 10 2.893 -3.692 -4.854
70 HB2 CYS 10 2HB CYS 10 0.202 -4.811 -4.210
71 HB3 CYS 10 1HB CYS 10 1.630 -5.708 -3.705
72 H ALA 11 H ALA 11 2.930 -6.459 -4.492
73 HA ALA 11 HA ALA 11 3.740 -7.304 -7.156
74 HB1 ALA 11 1HB ALA 11 5.188 -8.623 -6.058
75 HB2 ALA 11 2HB ALA 11 3.906 -9.331 -5.076
76 HB3 ALA 11 3HB ALA 11 4.661 -7.818 -4.580
77 H THR 12 H THR 12 3.167 -9.524 -7.899
78 HA THR 12 HA THR 12 0.383 -9.800 -8.187
79 HB THR 12 HB THR 12 2.707 -11.629 -8.754
80 HG1 THR 12 1HG THR 12 1.528 -9.645 -9.998
81 HG21 THR 12 3HG2 THR 12 1.056 -13.222 -8.324
82 HG22 THR 12 1HG2 THR 12 0.864 -12.933 -10.053
83 HG23 THR 12 2HG2 THR 12 -0.243 -12.178 -8.905
84 H ARG 13 H ARG 13 2.702 -11.476 -6.101
85 HA ARG 13 HA ARG 13 0.988 -13.403 -5.022
86 HB2 ARG 13 2HB ARG 13 3.281 -11.969 -3.655
87 HB3 ARG 13 1HB ARG 13 2.571 -13.504 -3.153
88 HG2 ARG 13 2HG ARG 13 3.856 -14.626 -4.621
89 HG3 ARG 13 1HG ARG 13 3.233 -13.645 -5.951
90 HD2 ARG 13 2HD ARG 13 5.620 -13.335 -5.871
91 HD3 ARG 13 1HD ARG 13 4.857 -11.853 -5.302
92 HE ARG 13 HE ARG 13 5.469 -13.637 -3.138
93 HH11 ARG 13 1HH2 ARG 13 6.768 -11.314 -5.349
94 HH12 ARG 13 2HH2 ARG 13 8.067 -10.840 -4.304
95 HH21 ARG 13 1HH1 ARG 13 7.169 -13.022 -1.763
96 HH22 ARG 13 2HH1 ARG 13 8.294 -11.808 -2.274
97 H GLU 14 H GLU 14 1.316 -9.989 -4.367
98 HA GLU 14 HA GLU 14 -0.149 -10.018 -1.895
99 HB2 GLU 14 2HB GLU 14 0.024 -7.552 -3.557
100 HB3 GLU 14 1HB GLU 14 0.232 -7.766 -1.820
101 HG2 GLU 14 2HG GLU 14 2.318 -9.232 -2.719
102 HG3 GLU 14 1HG GLU 14 2.210 -8.028 -4.001
103 H SER 15 H SER 15 -2.173 -8.610 -1.711
104 HA SER 15 HA SER 15 -3.946 -8.946 -4.042
105 HB2 SER 15 2HB SER 15 -5.731 -9.630 -2.342
106 HB3 SER 15 1HB SER 15 -4.516 -10.809 -2.795
107 HG SER 15 HG SER 15 -5.004 -9.651 -0.384
108 H LEU 16 H LEU 16 -5.206 -7.260 -4.414
109 HA LEU 16 HA LEU 16 -4.946 -4.912 -2.744
110 HB2 LEU 16 2HB LEU 16 -5.537 -5.383 -5.446
111 HB3 LEU 16 1HB LEU 16 -7.008 -4.687 -4.765
112 HG LEU 16 HG LEU 16 -5.486 -2.918 -5.579
113 HD11 LEU 16 1HD1 LEU 16 -5.072 -2.029 -3.004
114 HD12 LEU 16 2HD1 LEU 16 -6.362 -3.212 -2.786
115 HD13 LEU 16 3HD1 LEU 16 -6.583 -1.861 -3.898
116 HD21 LEU 16 3HD2 LEU 16 -3.504 -4.596 -4.518
117 HD22 LEU 16 1HD2 LEU 16 -3.504 -3.185 -3.461
118 HD23 LEU 16 2HD2 LEU 16 -3.260 -2.986 -5.196
119 H SER 17 H SER 17 -6.220 -4.345 -1.116
120 HA SER 17 HA SER 17 -8.808 -5.728 -0.814
121 HB2 SER 17 2HB SER 17 -8.613 -5.354 1.534
122 HB3 SER 17 1HB SER 17 -7.035 -5.916 0.993
123 HG SER 17 HG SER 17 -7.875 -3.365 1.786
124 H GLY 18 H GLY 18 -7.322 -2.645 -1.286
125 HA2 GLY 18 2HA GLY 18 -9.575 -1.270 -2.071
126 HA3 GLY 18 1HA GLY 18 -9.488 -1.031 -0.327
127 H VAL 19 H VAL 19 -9.307 1.243 -1.524
128 HA VAL 19 HA VAL 19 -6.502 1.856 -2.163
129 HB VAL 19 HB VAL 19 -8.210 2.741 -3.687
130 HG11 VAL 19 1HG1 VAL 19 -10.114 3.801 -2.999
131 HG12 VAL 19 2HG1 VAL 19 -9.294 4.631 -1.676
132 HG13 VAL 19 3HG1 VAL 19 -9.799 2.953 -1.485
133 HG21 VAL 19 3HG2 VAL 19 -7.244 4.829 -3.878
134 HG22 VAL 19 1HG2 VAL 19 -6.115 4.111 -2.728
135 HG23 VAL 19 2HG2 VAL 19 -7.401 5.173 -2.155
136 H CYS 20 H CYS 20 -5.228 2.449 -0.547
137 HA CYS 20 HA CYS 20 -6.213 3.259 2.025
138 HB2 CYS 20 2HB CYS 20 -3.547 2.853 0.758
139 HB3 CYS 20 1HB CYS 20 -3.639 3.799 2.243
140 H GLU 21 H GLU 21 -5.069 5.262 3.045
141 HA GLU 21 HA GLU 21 -4.974 7.528 1.178
142 HB2 GLU 21 2HB GLU 21 -6.795 7.328 3.588
143 HB3 GLU 21 1HB GLU 21 -6.417 8.846 2.772
144 HG2 GLU 21 2HG GLU 21 -7.317 7.973 0.669
145 HG3 GLU 21 1HG GLU 21 -7.638 6.417 1.432
146 H ILE 22 H ILE 22 -2.927 8.188 1.508
147 HA ILE 22 HA ILE 22 -2.106 8.708 4.301
148 HB ILE 22 HB ILE 22 -0.398 7.582 2.074
149 HG12 ILE 22 2HG1 ILE 22 -1.032 6.328 4.751
150 HG13 ILE 22 1HG1 ILE 22 -2.064 6.061 3.345
151 HG21 ILE 22 1HG2 ILE 22 1.264 7.412 4.032
152 HG22 ILE 22 2HG2 ILE 22 0.215 8.558 4.867
153 HG23 ILE 22 3HG2 ILE 22 1.000 9.019 3.356
154 HD11 ILE 22 3HD1 ILE 22 -0.598 4.623 2.431
155 HD12 ILE 22 1HD1 ILE 22 0.238 4.630 3.984
156 HD13 ILE 22 2HD1 ILE 22 0.755 5.723 2.699
157 H SER 23 H SER 23 -1.187 10.660 4.674
158 HA SER 23 HA SER 23 -0.665 12.872 4.294
159 HB2 SER 23 2HB SER 23 0.821 13.075 2.099
160 HB3 SER 23 1HB SER 23 1.442 12.322 3.564
161 HG SER 23 HG SER 23 1.726 10.657 2.310
162 H GLY 24 H GLY 24 -3.214 12.056 3.338
163 HA2 GLY 24 2HA GLY 24 -4.949 13.055 2.181
164 HA3 GLY 24 1HA GLY 24 -3.798 14.245 1.580
165 H ARG 25 H ARG 25 -2.179 11.695 0.755
166 HA ARG 25 HA ARG 25 -3.351 11.558 -1.918
167 HB2 ARG 25 2HB ARG 25 -0.962 12.048 -1.762
168 HB3 ARG 25 1HB ARG 25 -0.703 10.559 -0.860
169 HG2 ARG 25 2HG ARG 25 -1.366 9.208 -2.749
170 HG3 ARG 25 1HG ARG 25 -1.894 10.635 -3.644
171 HD2 ARG 25 2HD ARG 25 0.303 9.935 -4.448
172 HD3 ARG 25 1HD ARG 25 0.442 11.483 -3.622
173 HE ARG 25 HE ARG 25 0.913 9.311 -1.823
174 HH11 ARG 25 1HH2 ARG 25 2.279 11.171 -4.404
175 HH12 ARG 25 2HH2 ARG 25 3.918 10.915 -3.905
176 HH21 ARG 25 1HH1 ARG 25 3.060 8.974 -1.162
177 HH22 ARG 25 2HH1 ARG 25 4.360 9.672 -2.070
178 H LEU 26 H LEU 26 -4.146 9.735 -2.842
179 HA LEU 26 HA LEU 26 -5.050 7.652 -1.109
180 HB2 LEU 26 2HB LEU 26 -5.201 8.175 -4.057
181 HB3 LEU 26 1HB LEU 26 -5.663 6.597 -3.421
182 HG LEU 26 HG LEU 26 -7.137 7.888 -1.755
183 HD11 LEU 26 1HD1 LEU 26 -7.868 10.129 -2.873
184 HD12 LEU 26 2HD1 LEU 26 -6.292 10.059 -3.661
185 HD13 LEU 26 3HD1 LEU 26 -6.396 10.110 -1.902
186 HD21 LEU 26 3HD2 LEU 26 -8.306 6.720 -3.418
187 HD22 LEU 26 1HD2 LEU 26 -7.601 7.674 -4.722
188 HD23 LEU 26 2HD2 LEU 26 -8.841 8.378 -3.685
189 H TYR 27 H TYR 27 -4.284 5.644 -0.779
190 HA TYR 27 HA TYR 27 -1.807 4.857 -2.192
191 HB2 TYR 27 2HB TYR 27 -2.508 4.781 0.691
192 HB3 TYR 27 1HB TYR 27 -1.511 3.492 0.020
193 HD1 TYR 27 2HD TYR 27 -1.766 7.208 -0.439
194 HD2 TYR 27 1HD TYR 27 0.761 3.815 0.273
195 HE1 TYR 27 2HE TYR 27 0.218 8.684 -0.400
196 HE2 TYR 27 1HE TYR 27 2.747 5.296 0.309
197 HH TYR 27 HH TYR 27 3.488 7.388 -0.244
198 H ARG 28 H ARG 28 -1.450 2.512 -2.318
199 HA ARG 28 HA ARG 28 -4.012 1.132 -2.796
200 HB2 ARG 28 2HB ARG 28 -1.182 0.634 -3.759
201 HB3 ARG 28 1HB ARG 28 -2.496 -0.514 -4.024
202 HG2 ARG 28 2HG ARG 28 -2.598 0.754 -5.975
203 HG3 ARG 28 1HG ARG 28 -3.765 1.592 -4.953
204 HD2 ARG 28 2HD ARG 28 -1.902 3.140 -4.239
205 HD3 ARG 28 1HD ARG 28 -0.882 2.376 -5.455
206 HE ARG 28 HE ARG 28 -3.144 3.151 -6.818
207 HH11 ARG 28 1HH2 ARG 28 -0.778 4.657 -4.791
208 HH12 ARG 28 2HH2 ARG 28 -0.888 6.198 -5.573
209 HH21 ARG 28 1HH1 ARG 28 -3.301 5.172 -7.842
210 HH22 ARG 28 2HH1 ARG 28 -2.317 6.490 -7.300
211 H LEU 29 H LEU 29 -4.664 -0.489 -1.524
212 HA LEU 29 HA LEU 29 -2.843 -1.401 0.596
213 HB2 LEU 29 2HB LEU 29 -4.989 -0.518 1.342
214 HB3 LEU 29 1HB LEU 29 -5.844 -1.658 0.303
215 HG LEU 29 HG LEU 29 -4.952 -3.550 1.567
216 HD11 LEU 29 1HD1 LEU 29 -3.286 -1.372 2.784
217 HD12 LEU 29 2HD1 LEU 29 -2.812 -2.997 2.289
218 HD13 LEU 29 3HD1 LEU 29 -3.715 -2.756 3.785
219 HD21 LEU 29 3HD2 LEU 29 -5.777 -1.665 3.746
220 HD22 LEU 29 1HD2 LEU 29 -6.343 -3.300 3.405
221 HD23 LEU 29 2HD2 LEU 29 -6.911 -1.950 2.425
222 H CYS 30 H CYS 30 -1.681 -3.134 -0.009
223 HA CYS 30 HA CYS 30 -3.112 -5.289 -1.418
224 HB2 CYS 30 2HB CYS 30 -0.922 -6.032 -2.224
225 HB3 CYS 30 1HB CYS 30 -1.265 -4.382 -2.715
226 H CYS 31 H CYS 31 -2.887 -7.466 -0.647
227 HA CYS 31 HA CYS 31 -1.651 -7.652 2.026
228 HB2 CYS 31 2HB CYS 31 -4.102 -9.113 1.055
229 HB3 CYS 31 1HB CYS 31 -3.425 -9.155 2.672
230 H ARG 32 H ARG 32 -0.354 -9.379 2.411
231 HA ARG 32 HA ARG 32 -0.269 -11.566 0.456
232 HB2 ARG 32 2HB ARG 32 2.145 -11.382 0.197
233 HB3 ARG 32 1HB ARG 32 1.363 -9.885 -0.316
234 HG2 ARG 32 2HG ARG 32 1.745 -9.158 2.178
235 HG3 ARG 32 1HG ARG 32 2.974 -10.424 2.158
236 HD2 ARG 32 2HD ARG 32 3.963 -9.381 0.127
237 HD3 ARG 32 1HD ARG 32 2.781 -8.079 0.258
238 HE ARG 32 HE ARG 32 4.127 -8.292 2.723
239 HH11 ARG 32 1HH2 ARG 32 4.721 -7.467 -0.584
240 HH12 ARG 32 2HH2 ARG 32 6.002 -6.359 -0.222
241 HH21 ARG 32 1HH1 ARG 32 5.808 -6.843 3.207
242 HH22 ARG 32 2HH1 ARG 32 6.618 -6.004 1.923
Start of MODEL 10
1 H1 ALA 1 1HT ALA 1 -1.694 -13.790 6.051
2 H2 ALA 1 2HT ALA 1 -2.600 -14.228 4.683
3 H3 ALA 1 3HT ALA 1 -3.138 -12.974 5.694
4 HA ALA 1 HA ALA 1 -0.592 -12.878 4.178
5 HB1 ALA 1 2HB ALA 1 -3.377 -12.386 3.355
6 HB2 ALA 1 3HB ALA 1 -1.941 -12.646 2.366
7 HB3 ALA 1 1HB ALA 1 -2.283 -11.045 3.021
8 H THR 2 H THR 2 -0.182 -10.400 3.824
9 HA THR 2 HA THR 2 -0.724 -9.008 6.375
10 HB THR 2 HB THR 2 1.771 -8.915 4.656
11 HG1 THR 2 1HG THR 2 1.273 -10.744 6.160
12 HG21 THR 2 3HG2 THR 2 1.952 -6.842 5.556
13 HG22 THR 2 1HG2 THR 2 2.346 -7.695 7.048
14 HG23 THR 2 2HG2 THR 2 0.694 -7.154 6.751
15 H CYS 3 H CYS 3 -2.179 -7.483 5.962
16 HA CYS 3 HA CYS 3 -2.285 -6.154 3.384
17 HB2 CYS 3 2HB CYS 3 -3.955 -5.843 5.891
18 HB3 CYS 3 1HB CYS 3 -4.248 -4.991 4.382
19 H TYR 4 H TYR 4 -1.599 -4.130 2.938
20 HA TYR 4 HA TYR 4 -1.107 -2.160 4.963
21 HB2 TYR 4 2HB TYR 4 1.307 -1.979 4.689
22 HB3 TYR 4 1HB TYR 4 0.891 -3.596 5.257
23 HD1 TYR 4 1HD TYR 4 1.996 -1.602 2.354
24 HD2 TYR 4 2HD TYR 4 1.132 -5.543 3.827
25 HE1 TYR 4 1HE TYR 4 3.105 -2.588 0.366
26 HE2 TYR 4 2HE TYR 4 2.238 -6.528 1.840
27 HH TYR 4 HH TYR 4 4.024 -4.548 -0.439
28 H CYS 5 H CYS 5 -0.576 -0.103 4.076
29 HA CYS 5 HA CYS 5 -1.395 0.153 1.284
30 HB2 CYS 5 2HB CYS 5 -0.709 2.475 3.053
31 HB3 CYS 5 1HB CYS 5 -1.884 2.360 1.783
32 H ARG 6 H ARG 6 -0.161 1.115 -0.318
33 HA ARG 6 HA ARG 6 2.589 1.904 0.326
34 HB2 ARG 6 2HB ARG 6 3.542 0.488 -1.402
35 HB3 ARG 6 1HB ARG 6 2.644 -0.521 -0.266
36 HG2 ARG 6 2HG ARG 6 0.976 -0.993 -1.773
37 HG3 ARG 6 1HG ARG 6 1.156 0.533 -2.628
38 HD2 ARG 6 2HD ARG 6 1.948 -1.436 -3.950
39 HD3 ARG 6 1HD ARG 6 3.189 -0.215 -3.693
40 HE ARG 6 HE ARG 6 3.238 -2.239 -1.657
41 HH11 ARG 6 1HH2 ARG 6 4.131 -1.452 -4.907
42 HH12 ARG 6 2HH2 ARG 6 5.476 -2.543 -4.948
43 HH21 ARG 6 1HH1 ARG 6 4.999 -3.672 -1.704
44 HH22 ARG 6 2HH1 ARG 6 5.967 -3.799 -3.133
45 H THR 7 H THR 7 3.589 3.182 -1.330
46 HA THR 7 HA THR 7 1.683 4.809 -2.783
47 HB THR 7 HB THR 7 4.691 4.996 -2.936
48 HG1 THR 7 1HG THR 7 4.065 4.955 -0.759
49 HG21 THR 7 3HG2 THR 7 3.730 6.482 -4.473
50 HG22 THR 7 1HG2 THR 7 3.928 7.487 -3.038
51 HG23 THR 7 2HG2 THR 7 2.346 6.812 -3.430
52 H GLY 8 H GLY 8 0.958 2.966 -4.148
53 HA2 GLY 8 2HA GLY 8 1.186 2.952 -6.691
54 HA3 GLY 8 1HA GLY 8 2.826 2.395 -6.367
55 H ARG 9 H ARG 9 1.497 0.733 -7.901
56 HA ARG 9 HA ARG 9 -0.211 -1.151 -6.686
57 HB2 ARG 9 2HB ARG 9 0.081 -0.891 -9.137
58 HB3 ARG 9 1HB ARG 9 1.693 -1.593 -8.988
59 HG2 ARG 9 2HG ARG 9 0.804 -3.674 -8.188
60 HG3 ARG 9 1HG ARG 9 -0.812 -2.989 -8.030
61 HD2 ARG 9 2HD ARG 9 -0.744 -4.289 -10.070
62 HD3 ARG 9 1HD ARG 9 -0.815 -2.583 -10.498
63 HE ARG 9 HE ARG 9 1.891 -3.381 -10.360
64 HH11 ARG 9 1HH2 ARG 9 -0.987 -3.850 -12.225
65 HH12 ARG 9 2HH2 ARG 9 -0.143 -4.161 -13.705
66 HH21 ARG 9 1HH1 ARG 9 3.005 -3.787 -12.297
67 HH22 ARG 9 2HH1 ARG 9 2.117 -4.125 -13.746
68 H CYS 10 H CYS 10 0.281 -3.365 -6.107
69 HA CYS 10 HA CYS 10 2.895 -3.574 -4.764
70 HB2 CYS 10 2HB CYS 10 0.183 -4.721 -4.221
71 HB3 CYS 10 1HB CYS 10 1.614 -5.541 -3.606
72 H ALA 11 H ALA 11 2.991 -6.297 -4.364
73 HA ALA 11 HA ALA 11 3.873 -7.184 -6.980
74 HB1 ALA 11 1HB ALA 11 4.697 -7.665 -4.370
75 HB2 ALA 11 2HB ALA 11 5.271 -8.503 -5.813
76 HB3 ALA 11 3HB ALA 11 3.951 -9.186 -4.863
77 H THR 12 H THR 12 3.323 -9.373 -7.769
78 HA THR 12 HA THR 12 0.556 -9.674 -8.146
79 HB THR 12 HB THR 12 2.789 -11.680 -8.533
80 HG1 THR 12 1HG THR 12 1.753 -9.549 -9.964
81 HG21 THR 12 3HG2 THR 12 0.733 -12.216 -10.326
82 HG22 THR 12 1HG2 THR 12 -0.110 -11.875 -8.815
83 HG23 THR 12 2HG2 THR 12 1.109 -13.147 -8.876
84 H ARG 13 H ARG 13 2.809 -11.351 -5.983
85 HA ARG 13 HA ARG 13 1.047 -13.273 -4.961
86 HB2 ARG 13 2HB ARG 13 3.389 -11.873 -3.651
87 HB3 ARG 13 1HB ARG 13 2.569 -13.280 -2.973
88 HG2 ARG 13 2HG ARG 13 3.620 -13.348 -5.792
89 HG3 ARG 13 1HG ARG 13 4.695 -13.669 -4.430
90 HD2 ARG 13 2HD ARG 13 3.121 -15.431 -3.646
91 HD3 ARG 13 1HD ARG 13 2.125 -15.146 -5.066
92 HE ARG 13 HE ARG 13 4.795 -16.373 -5.045
93 HH11 ARG 13 1HH2 ARG 13 1.965 -15.299 -6.722
94 HH12 ARG 13 2HH2 ARG 13 2.312 -16.193 -8.162
95 HH21 ARG 13 1HH1 ARG 13 5.257 -17.548 -6.933
96 HH22 ARG 13 2HH1 ARG 13 4.175 -17.465 -8.284
97 H GLU 14 H GLU 14 1.396 -9.870 -4.265
98 HA GLU 14 HA GLU 14 -0.144 -9.909 -1.841
99 HB2 GLU 14 2HB GLU 14 0.095 -7.434 -3.485
100 HB3 GLU 14 1HB GLU 14 0.252 -7.652 -1.740
101 HG2 GLU 14 2HG GLU 14 2.356 -9.109 -2.499
102 HG3 GLU 14 1HG GLU 14 2.285 -8.009 -3.875
103 H SER 15 H SER 15 -2.211 -8.717 -1.624
104 HA SER 15 HA SER 15 -3.895 -8.915 -4.043
105 HB2 SER 15 2HB SER 15 -5.728 -9.670 -2.383
106 HB3 SER 15 1HB SER 15 -4.518 -10.824 -2.883
107 HG SER 15 HG SER 15 -4.951 -9.660 -0.433
108 H LEU 16 H LEU 16 -5.219 -7.236 -4.372
109 HA LEU 16 HA LEU 16 -4.977 -4.916 -2.668
110 HB2 LEU 16 2HB LEU 16 -5.613 -5.369 -5.362
111 HB3 LEU 16 1HB LEU 16 -7.083 -4.709 -4.646
112 HG LEU 16 HG LEU 16 -5.627 -2.896 -5.455
113 HD11 LEU 16 1HD1 LEU 16 -6.629 -1.851 -3.717
114 HD12 LEU 16 2HD1 LEU 16 -5.128 -2.116 -2.832
115 HD13 LEU 16 3HD1 LEU 16 -6.458 -3.261 -2.674
116 HD21 LEU 16 3HD2 LEU 16 -3.389 -3.017 -5.216
117 HD22 LEU 16 1HD2 LEU 16 -3.587 -4.569 -4.403
118 HD23 LEU 16 2HD2 LEU 16 -3.551 -3.078 -3.461
119 H SER 17 H SER 17 -6.222 -4.438 -0.985
120 HA SER 17 HA SER 17 -8.763 -5.895 -0.656
121 HB2 SER 17 2HB SER 17 -8.524 -5.576 1.683
122 HB3 SER 17 1HB SER 17 -6.911 -5.986 1.114
123 HG SER 17 HG SER 17 -7.883 -3.338 1.423
124 H GLY 18 H GLY 18 -7.357 -2.715 -0.949
125 HA2 GLY 18 2HA GLY 18 -9.724 -1.444 -1.724
126 HA3 GLY 18 1HA GLY 18 -9.535 -1.183 0.008
127 H VAL 19 H VAL 19 -9.505 1.079 -1.218
128 HA VAL 19 HA VAL 19 -6.766 1.772 -2.038
129 HB VAL 19 HB VAL 19 -8.396 2.667 -3.521
130 HG11 VAL 19 1HG1 VAL 19 -10.131 4.307 -2.211
131 HG12 VAL 19 2HG1 VAL 19 -9.922 3.034 -1.008
132 HG13 VAL 19 3HG1 VAL 19 -10.497 2.632 -2.626
133 HG21 VAL 19 3HG2 VAL 19 -6.667 4.287 -2.140
134 HG22 VAL 19 1HG2 VAL 19 -8.203 5.115 -1.879
135 HG23 VAL 19 2HG2 VAL 19 -7.632 4.814 -3.521
136 H CYS 20 H CYS 20 -5.403 2.457 -0.530
137 HA CYS 20 HA CYS 20 -6.324 3.332 2.069
138 HB2 CYS 20 2HB CYS 20 -3.701 2.723 0.801
139 HB3 CYS 20 1HB CYS 20 -3.704 3.762 2.228
140 H GLU 21 H GLU 21 -4.774 5.291 2.906
141 HA GLU 21 HA GLU 21 -4.673 7.474 0.985
142 HB2 GLU 21 2HB GLU 21 -6.064 8.930 2.545
143 HB3 GLU 21 1HB GLU 21 -6.954 7.732 1.602
144 HG2 GLU 21 2HG GLU 21 -6.876 6.182 3.543
145 HG3 GLU 21 1HG GLU 21 -6.059 7.429 4.484
146 H ILE 22 H ILE 22 -2.708 8.280 1.340
147 HA ILE 22 HA ILE 22 -1.885 8.753 4.138
148 HB ILE 22 HB ILE 22 0.107 7.982 2.023
149 HG12 ILE 22 2HG1 ILE 22 -1.633 6.202 2.118
150 HG13 ILE 22 1HG1 ILE 22 -0.081 5.647 2.742
151 HG21 ILE 22 1HG2 ILE 22 0.210 8.760 4.742
152 HG22 ILE 22 2HG2 ILE 22 1.538 8.158 3.753
153 HG23 ILE 22 3HG2 ILE 22 0.574 7.036 4.710
154 HD11 ILE 22 3HD1 ILE 22 -1.426 6.785 4.943
155 HD12 ILE 22 1HD1 ILE 22 -1.125 5.074 4.648
156 HD13 ILE 22 2HD1 ILE 22 -2.626 5.809 4.098
157 H SER 23 H SER 23 -0.887 10.678 4.531
158 HA SER 23 HA SER 23 -0.368 12.894 4.191
159 HB2 SER 23 2HB SER 23 0.984 13.185 1.934
160 HB3 SER 23 1HB SER 23 1.685 12.330 3.304
161 HG SER 23 HG SER 23 0.727 11.371 0.874
162 H GLY 24 H GLY 24 -2.913 11.750 3.024
163 HA2 GLY 24 2HA GLY 24 -4.737 12.950 2.143
164 HA3 GLY 24 1HA GLY 24 -3.612 14.116 1.455
165 H ARG 25 H ARG 25 -1.964 11.816 0.394
166 HA ARG 25 HA ARG 25 -3.324 11.597 -2.146
167 HB2 ARG 25 2HB ARG 25 -0.951 11.965 -2.211
168 HB3 ARG 25 1HB ARG 25 -0.659 10.577 -1.164
169 HG2 ARG 25 2HG ARG 25 -1.464 9.048 -2.862
170 HG3 ARG 25 1HG ARG 25 -1.961 10.390 -3.895
171 HD2 ARG 25 2HD ARG 25 0.168 9.555 -4.701
172 HD3 ARG 25 1HD ARG 25 0.429 11.136 -3.971
173 HE ARG 25 HE ARG 25 0.871 8.769 -2.291
174 HH11 ARG 25 1HH2 ARG 25 2.089 11.412 -4.165
175 HH12 ARG 25 2HH2 ARG 25 3.675 11.351 -3.473
176 HH21 ARG 25 1HH1 ARG 25 2.950 8.682 -1.383
177 HH22 ARG 25 2HH1 ARG 25 4.164 9.805 -1.899
178 H LEU 26 H LEU 26 -4.190 9.783 -3.065
179 HA LEU 26 HA LEU 26 -5.190 7.772 -1.321
180 HB2 LEU 26 2HB LEU 26 -6.409 7.035 -3.135
181 HB3 LEU 26 1HB LEU 26 -6.061 8.683 -3.656
182 HG LEU 26 HG LEU 26 -3.921 7.670 -4.716
183 HD11 LEU 26 1HD1 LEU 26 -3.625 5.444 -4.519
184 HD12 LEU 26 2HD1 LEU 26 -5.179 5.160 -5.297
185 HD13 LEU 26 3HD1 LEU 26 -5.092 5.341 -3.547
186 HD21 LEU 26 3HD2 LEU 26 -5.510 6.693 -6.628
187 HD22 LEU 26 1HD2 LEU 26 -5.405 8.423 -6.307
188 HD23 LEU 26 2HD2 LEU 26 -6.747 7.485 -5.652
189 H TYR 27 H TYR 27 -4.435 5.799 -0.826
190 HA TYR 27 HA TYR 27 -1.973 4.877 -2.177
191 HB2 TYR 27 2HB TYR 27 -2.730 4.970 0.682
192 HB3 TYR 27 1HB TYR 27 -1.787 3.598 0.120
193 HD1 TYR 27 1HD TYR 27 -1.828 7.261 -0.667
194 HD2 TYR 27 2HD TYR 27 0.487 3.844 0.510
195 HE1 TYR 27 1HE TYR 27 0.226 8.651 -0.669
196 HE2 TYR 27 2HE TYR 27 2.541 5.233 0.508
197 HH TYR 27 HH TYR 27 2.986 7.852 0.817
198 H ARG 28 H ARG 28 -1.675 2.545 -2.272
199 HA ARG 28 HA ARG 28 -4.271 1.175 -2.636
200 HB2 ARG 28 2HB ARG 28 -1.521 0.415 -3.673
201 HB3 ARG 28 1HB ARG 28 -3.050 -0.363 -4.087
202 HG2 ARG 28 2HG ARG 28 -3.648 1.288 -5.529
203 HG3 ARG 28 1HG ARG 28 -3.021 2.562 -4.482
204 HD2 ARG 28 2HD ARG 28 -0.734 2.040 -5.185
205 HD3 ARG 28 1HD ARG 28 -1.324 0.722 -6.194
206 HE ARG 28 HE ARG 28 -1.551 3.584 -6.754
207 HH11 ARG 28 1HH2 ARG 28 -2.424 0.318 -7.492
208 HH12 ARG 28 2HH2 ARG 28 -2.937 0.674 -9.108
209 HH21 ARG 28 1HH1 ARG 28 -2.220 4.059 -8.872
210 HH22 ARG 28 2HH1 ARG 28 -2.821 2.791 -9.889
211 H LEU 29 H LEU 29 -4.825 -0.508 -1.386
212 HA LEU 29 HA LEU 29 -2.900 -1.393 0.653
213 HB2 LEU 29 2HB LEU 29 -5.013 -0.560 1.526
214 HB3 LEU 29 1HB LEU 29 -5.912 -1.671 0.496
215 HG LEU 29 HG LEU 29 -4.955 -3.597 1.654
216 HD11 LEU 29 1HD1 LEU 29 -3.227 -1.455 2.844
217 HD12 LEU 29 2HD1 LEU 29 -2.800 -3.083 2.317
218 HD13 LEU 29 3HD1 LEU 29 -3.632 -2.847 3.852
219 HD21 LEU 29 3HD2 LEU 29 -5.678 -1.828 3.954
220 HD22 LEU 29 1HD2 LEU 29 -6.296 -3.423 3.523
221 HD23 LEU 29 2HD2 LEU 29 -6.865 -1.994 2.660
222 H CYS 30 H CYS 30 -1.755 -3.107 0.008
223 HA CYS 30 HA CYS 30 -3.167 -5.265 -1.415
224 HB2 CYS 30 2HB CYS 30 -0.934 -5.976 -2.190
225 HB3 CYS 30 1HB CYS 30 -1.339 -4.360 -2.720
226 H CYS 31 H CYS 31 -2.924 -7.433 -0.701
227 HA CYS 31 HA CYS 31 -1.679 -7.710 1.960
228 HB2 CYS 31 2HB CYS 31 -4.132 -9.153 0.974
229 HB3 CYS 31 1HB CYS 31 -3.447 -9.215 2.579
230 H ARG 32 H ARG 32 -0.285 -9.356 2.210
231 HA ARG 32 HA ARG 32 -0.213 -11.466 0.148
232 HB2 ARG 32 2HB ARG 32 2.226 -11.318 0.051
233 HB3 ARG 32 1HB ARG 32 1.488 -9.787 -0.425
234 HG2 ARG 32 2HG ARG 32 1.720 -9.278 2.180
235 HG3 ARG 32 1HG ARG 32 3.017 -10.466 2.051
236 HD2 ARG 32 2HD ARG 32 2.748 -8.074 0.224
237 HD3 ARG 32 1HD ARG 32 3.751 -8.084 1.675
238 HE ARG 32 HE ARG 32 4.373 -9.340 -0.840
239 HH11 ARG 32 1HH2 ARG 32 4.783 -9.432 2.595
240 HH12 ARG 32 2HH2 ARG 32 6.291 -10.280 2.532
241 HH21 ARG 32 1HH1 ARG 32 6.351 -10.454 -0.931
242 HH22 ARG 32 2HH1 ARG 32 7.179 -10.859 0.535
Start of MODEL 11
1 H1 ALA 1 1HT ALA 1 -3.352 -12.836 5.522
2 H2 ALA 1 2HT ALA 1 -2.009 -13.403 6.394
3 H3 ALA 1 3HT ALA 1 -2.504 -14.200 4.978
4 HA ALA 1 HA ALA 1 -0.593 -12.913 4.441
5 HB1 ALA 1 2HB ALA 1 -2.138 -10.992 3.136
6 HB2 ALA 1 3HB ALA 1 -3.242 -12.348 3.359
7 HB3 ALA 1 1HB ALA 1 -1.716 -12.586 2.509
8 H THR 2 H THR 2 -0.118 -10.410 3.918
9 HA THR 2 HA THR 2 -0.555 -8.937 6.445
10 HB THR 2 HB THR 2 1.862 -8.995 4.624
11 HG1 THR 2 1HG THR 2 1.378 -10.640 6.349
12 HG21 THR 2 3HG2 THR 2 2.071 -6.830 5.286
13 HG22 THR 2 1HG2 THR 2 2.601 -7.543 6.809
14 HG23 THR 2 2HG2 THR 2 0.928 -7.022 6.615
15 H CYS 3 H CYS 3 -2.017 -7.453 6.045
16 HA CYS 3 HA CYS 3 -2.217 -6.130 3.465
17 HB2 CYS 3 2HB CYS 3 -3.808 -5.842 6.025
18 HB3 CYS 3 1HB CYS 3 -4.154 -4.983 4.531
19 H TYR 4 H TYR 4 -1.565 -4.086 3.018
20 HA TYR 4 HA TYR 4 -1.065 -2.122 5.052
21 HB2 TYR 4 2HB TYR 4 1.344 -1.890 4.689
22 HB3 TYR 4 1HB TYR 4 0.966 -3.502 5.298
23 HD1 TYR 4 2HD TYR 4 1.104 -5.469 3.849
24 HD2 TYR 4 1HD TYR 4 2.041 -1.545 2.375
25 HE1 TYR 4 2HE TYR 4 2.166 -6.475 1.846
26 HE2 TYR 4 1HE TYR 4 3.104 -2.551 0.372
27 HH TYR 4 HH TYR 4 3.739 -4.437 -0.618
28 H CYS 5 H CYS 5 -0.546 -0.037 4.158
29 HA CYS 5 HA CYS 5 -1.461 0.213 1.392
30 HB2 CYS 5 2HB CYS 5 -0.713 2.500 3.193
31 HB3 CYS 5 1HB CYS 5 -1.832 2.474 1.868
32 H ARG 6 H ARG 6 -0.238 1.072 -0.264
33 HA ARG 6 HA ARG 6 2.560 1.793 0.316
34 HB2 ARG 6 2HB ARG 6 3.373 0.427 -1.511
35 HB3 ARG 6 1HB ARG 6 2.460 -0.596 -0.404
36 HG2 ARG 6 2HG ARG 6 0.743 -0.919 -1.891
37 HG3 ARG 6 1HG ARG 6 0.946 0.654 -2.652
38 HD2 ARG 6 2HD ARG 6 2.981 -1.554 -2.936
39 HD3 ARG 6 1HD ARG 6 1.638 -1.347 -4.054
40 HE ARG 6 HE ARG 6 2.677 1.078 -4.180
41 HH11 ARG 6 1HH2 ARG 6 4.249 -1.996 -3.987
42 HH12 ARG 6 2HH2 ARG 6 5.656 -1.487 -4.861
43 HH21 ARG 6 1HH1 ARG 6 4.521 1.755 -5.326
44 HH22 ARG 6 2HH1 ARG 6 5.810 0.636 -5.618
45 H THR 7 H THR 7 3.585 3.035 -1.399
46 HA THR 7 HA THR 7 1.684 4.825 -2.686
47 HB THR 7 HB THR 7 4.708 4.884 -2.770
48 HG1 THR 7 1HG THR 7 4.232 5.128 -0.678
49 HG21 THR 7 3HG2 THR 7 3.007 6.245 -4.348
50 HG22 THR 7 1HG2 THR 7 4.517 6.942 -3.760
51 HG23 THR 7 2HG2 THR 7 2.999 7.312 -2.942
52 H GLY 8 H GLY 8 0.906 2.992 -4.091
53 HA2 GLY 8 2HA GLY 8 1.062 3.094 -6.644
54 HA3 GLY 8 1HA GLY 8 2.703 2.509 -6.389
55 H ARG 9 H ARG 9 1.656 0.802 -7.893
56 HA ARG 9 HA ARG 9 -0.187 -1.067 -6.801
57 HB2 ARG 9 2HB ARG 9 0.370 -0.672 -9.259
58 HB3 ARG 9 1HB ARG 9 1.831 -1.618 -8.973
59 HG2 ARG 9 2HG ARG 9 0.386 -3.298 -9.628
60 HG3 ARG 9 1HG ARG 9 0.113 -3.315 -7.890
61 HD2 ARG 9 2HD ARG 9 -1.859 -1.918 -8.130
62 HD3 ARG 9 1HD ARG 9 -1.553 -1.726 -9.853
63 HE ARG 9 HE ARG 9 -2.392 -3.882 -10.207
64 HH11 ARG 9 1HH2 ARG 9 -1.953 -3.197 -6.842
65 HH12 ARG 9 2HH2 ARG 9 -2.828 -4.590 -6.303
66 HH21 ARG 9 1HH1 ARG 9 -3.541 -5.710 -9.506
67 HH22 ARG 9 2HH1 ARG 9 -3.726 -6.014 -7.811
68 H CYS 10 H CYS 10 0.261 -3.257 -6.185
69 HA CYS 10 HA CYS 10 2.842 -3.521 -4.782
70 HB2 CYS 10 2HB CYS 10 0.081 -4.566 -4.299
71 HB3 CYS 10 1HB CYS 10 1.458 -5.473 -3.681
72 H ALA 11 H ALA 11 2.904 -6.235 -4.390
73 HA ALA 11 HA ALA 11 3.798 -7.145 -6.988
74 HB1 ALA 11 1HB ALA 11 3.800 -9.203 -4.967
75 HB2 ALA 11 2HB ALA 11 4.467 -7.705 -4.317
76 HB3 ALA 11 3HB ALA 11 5.167 -8.426 -5.768
77 H THR 12 H THR 12 3.177 -9.255 -7.864
78 HA THR 12 HA THR 12 0.398 -9.474 -8.239
79 HB THR 12 HB THR 12 2.722 -11.272 -8.868
80 HG1 THR 12 1HG THR 12 1.338 -9.289 -10.059
81 HG21 THR 12 3HG2 THR 12 1.067 -12.889 -8.526
82 HG22 THR 12 1HG2 THR 12 0.911 -12.528 -10.246
83 HG23 THR 12 2HG2 THR 12 -0.223 -11.827 -9.092
84 H ARG 13 H ARG 13 2.642 -11.297 -6.208
85 HA ARG 13 HA ARG 13 0.873 -13.262 -5.284
86 HB2 ARG 13 2HB ARG 13 3.203 -11.952 -3.858
87 HB3 ARG 13 1HB ARG 13 2.427 -13.460 -3.370
88 HG2 ARG 13 2HG ARG 13 3.612 -14.630 -4.887
89 HG3 ARG 13 1HG ARG 13 3.092 -13.549 -6.185
90 HD2 ARG 13 2HD ARG 13 4.894 -12.080 -5.852
91 HD3 ARG 13 1HD ARG 13 5.242 -12.719 -4.247
92 HE ARG 13 HE ARG 13 6.384 -14.518 -5.251
93 HH11 ARG 13 1HH2 ARG 13 4.781 -12.485 -7.547
94 HH12 ARG 13 2HH2 ARG 13 5.599 -13.156 -8.920
95 HH21 ARG 13 1HH1 ARG 13 7.461 -15.402 -7.046
96 HH22 ARG 13 2HH1 ARG 13 7.115 -14.807 -8.636
97 H GLU 14 H GLU 14 1.265 -9.903 -4.396
98 HA GLU 14 HA GLU 14 -0.210 -10.050 -1.944
99 HB2 GLU 14 2HB GLU 14 -0.052 -7.504 -3.484
100 HB3 GLU 14 1HB GLU 14 0.171 -7.796 -1.759
101 HG2 GLU 14 2HG GLU 14 2.275 -9.155 -2.563
102 HG3 GLU 14 1HG GLU 14 2.124 -8.132 -3.991
103 H SER 15 H SER 15 -2.239 -8.736 -1.637
104 HA SER 15 HA SER 15 -4.038 -8.973 -3.965
105 HB2 SER 15 2HB SER 15 -5.799 -9.671 -2.248
106 HB3 SER 15 1HB SER 15 -4.602 -10.853 -2.714
107 HG SER 15 HG SER 15 -3.454 -9.700 -0.782
108 H LEU 16 H LEU 16 -5.239 -7.264 -4.321
109 HA LEU 16 HA LEU 16 -4.975 -4.949 -2.626
110 HB2 LEU 16 2HB LEU 16 -5.531 -5.367 -5.330
111 HB3 LEU 16 1HB LEU 16 -7.026 -4.710 -4.664
112 HG LEU 16 HG LEU 16 -5.544 -2.893 -5.408
113 HD11 LEU 16 1HD1 LEU 16 -6.579 -3.232 -2.737
114 HD12 LEU 16 2HD1 LEU 16 -6.483 -1.761 -3.705
115 HD13 LEU 16 3HD1 LEU 16 -5.124 -2.237 -2.686
116 HD21 LEU 16 3HD2 LEU 16 -3.549 -3.211 -3.300
117 HD22 LEU 16 1HD2 LEU 16 -3.317 -2.905 -5.021
118 HD23 LEU 16 2HD2 LEU 16 -3.524 -4.557 -4.438
119 H SER 17 H SER 17 -6.101 -4.770 -0.815
120 HA SER 17 HA SER 17 -8.727 -6.033 -0.566
121 HB2 SER 17 2HB SER 17 -8.503 -5.685 1.762
122 HB3 SER 17 1HB SER 17 -6.888 -6.117 1.214
123 HG SER 17 HG SER 17 -7.894 -3.703 2.139
124 H GLY 18 H GLY 18 -7.328 -2.915 -1.088
125 HA2 GLY 18 2HA GLY 18 -9.653 -1.615 -1.823
126 HA3 GLY 18 1HA GLY 18 -9.489 -1.332 -0.093
127 H VAL 19 H VAL 19 -9.421 0.911 -1.351
128 HA VAL 19 HA VAL 19 -6.667 1.573 -2.129
129 HB VAL 19 HB VAL 19 -8.694 2.324 -3.482
130 HG11 VAL 19 1HG1 VAL 19 -10.010 2.920 -1.391
131 HG12 VAL 19 2HG1 VAL 19 -10.003 4.160 -2.645
132 HG13 VAL 19 3HG1 VAL 19 -8.966 4.332 -1.230
133 HG21 VAL 19 3HG2 VAL 19 -6.631 4.235 -2.373
134 HG22 VAL 19 1HG2 VAL 19 -7.774 4.737 -3.618
135 HG23 VAL 19 2HG2 VAL 19 -6.641 3.425 -3.940
136 H CYS 20 H CYS 20 -5.313 2.506 -0.754
137 HA CYS 20 HA CYS 20 -6.262 3.370 1.874
138 HB2 CYS 20 2HB CYS 20 -3.635 2.642 0.668
139 HB3 CYS 20 1HB CYS 20 -3.641 3.707 2.073
140 H GLU 21 H GLU 21 -5.189 5.367 2.792
141 HA GLU 21 HA GLU 21 -4.691 7.464 0.797
142 HB2 GLU 21 2HB GLU 21 -7.114 7.552 1.319
143 HB3 GLU 21 1HB GLU 21 -6.722 7.738 3.030
144 HG2 GLU 21 2HG GLU 21 -5.483 9.808 2.527
145 HG3 GLU 21 1HG GLU 21 -5.867 9.624 0.817
146 H ILE 22 H ILE 22 -2.733 8.193 1.350
147 HA ILE 22 HA ILE 22 -2.198 8.699 4.216
148 HB ILE 22 HB ILE 22 -0.272 7.606 2.154
149 HG12 ILE 22 2HG1 ILE 22 -1.094 6.294 4.743
150 HG13 ILE 22 1HG1 ILE 22 -2.079 6.092 3.295
151 HG21 ILE 22 1HG2 ILE 22 1.195 8.762 3.478
152 HG22 ILE 22 2HG2 ILE 22 0.976 7.380 4.552
153 HG23 ILE 22 3HG2 ILE 22 0.059 8.862 4.822
154 HD11 ILE 22 3HD1 ILE 22 0.679 5.699 2.601
155 HD12 ILE 22 1HD1 ILE 22 -0.656 4.551 2.509
156 HD13 ILE 22 2HD1 ILE 22 0.289 4.691 3.993
157 H SER 23 H SER 23 -1.351 10.667 4.691
158 HA SER 23 HA SER 23 -0.758 12.870 4.384
159 HB2 SER 23 2HB SER 23 0.864 13.085 2.279
160 HB3 SER 23 1HB SER 23 1.390 12.342 3.785
161 HG SER 23 HG SER 23 0.794 10.318 2.878
162 H GLY 24 H GLY 24 -3.234 12.034 3.217
163 HA2 GLY 24 2HA GLY 24 -4.887 13.065 1.970
164 HA3 GLY 24 1HA GLY 24 -3.701 14.267 1.472
165 H ARG 25 H ARG 25 -2.062 11.666 0.753
166 HA ARG 25 HA ARG 25 -2.898 11.678 -2.029
167 HB2 ARG 25 2HB ARG 25 -0.530 11.842 -1.636
168 HB3 ARG 25 1HB ARG 25 -0.555 10.408 -0.614
169 HG2 ARG 25 2HG ARG 25 -1.210 9.021 -2.526
170 HG3 ARG 25 1HG ARG 25 -1.278 10.448 -3.559
171 HD2 ARG 25 2HD ARG 25 1.117 10.835 -3.224
172 HD3 ARG 25 1HD ARG 25 1.207 9.463 -2.128
173 HE ARG 25 HE ARG 25 1.039 8.014 -3.980
174 HH11 ARG 25 1HH2 ARG 25 0.686 11.350 -4.829
175 HH12 ARG 25 2HH2 ARG 25 0.871 11.079 -6.529
176 HH21 ARG 25 1HH1 ARG 25 1.282 7.651 -6.205
177 HH22 ARG 25 2HH1 ARG 25 1.208 8.984 -7.309
178 H LEU 26 H LEU 26 -3.205 9.690 -3.233
179 HA LEU 26 HA LEU 26 -4.839 7.814 -1.712
180 HB2 LEU 26 2HB LEU 26 -5.501 8.811 -3.966
181 HB3 LEU 26 1HB LEU 26 -4.274 7.766 -4.680
182 HG LEU 26 HG LEU 26 -5.419 5.826 -3.469
183 HD11 LEU 26 1HD1 LEU 26 -8.028 6.910 -3.391
184 HD12 LEU 26 2HD1 LEU 26 -7.002 8.058 -2.531
185 HD13 LEU 26 3HD1 LEU 26 -7.057 6.369 -2.022
186 HD21 LEU 26 3HD2 LEU 26 -6.174 7.272 -5.879
187 HD22 LEU 26 1HD2 LEU 26 -7.556 6.416 -5.195
188 HD23 LEU 26 2HD2 LEU 26 -6.087 5.531 -5.608
189 H TYR 27 H TYR 27 -4.136 5.921 -1.014
190 HA TYR 27 HA TYR 27 -1.670 4.768 -2.170
191 HB2 TYR 27 2HB TYR 27 -2.647 4.993 0.627
192 HB3 TYR 27 1HB TYR 27 -1.719 3.571 0.160
193 HD1 TYR 27 2HD TYR 27 -1.595 7.283 -0.410
194 HD2 TYR 27 1HD TYR 27 0.565 3.671 0.442
195 HE1 TYR 27 2HE TYR 27 0.519 8.572 -0.275
196 HE2 TYR 27 1HE TYR 27 2.678 4.961 0.567
197 HH TYR 27 HH TYR 27 3.151 7.823 -0.679
198 H ARG 28 H ARG 28 -1.539 2.423 -2.156
199 HA ARG 28 HA ARG 28 -4.195 1.195 -2.552
200 HB2 ARG 28 2HB ARG 28 -1.480 0.539 -3.709
201 HB3 ARG 28 1HB ARG 28 -2.876 -0.527 -3.870
202 HG2 ARG 28 2HG ARG 28 -4.143 1.281 -4.961
203 HG3 ARG 28 1HG ARG 28 -2.760 2.363 -4.788
204 HD2 ARG 28 2HD ARG 28 -1.399 0.843 -6.177
205 HD3 ARG 28 1HD ARG 28 -2.780 -0.234 -6.352
206 HE ARG 28 HE ARG 28 -3.555 2.336 -7.197
207 HH11 ARG 28 1HH2 ARG 28 -1.421 -0.248 -8.053
208 HH12 ARG 28 2HH2 ARG 28 -1.457 0.100 -9.750
209 HH21 ARG 28 1HH1 ARG 28 -3.607 2.800 -9.419
210 HH22 ARG 28 2HH1 ARG 28 -2.695 1.826 -10.524
211 H LEU 29 H LEU 29 -4.795 -0.555 -1.373
212 HA LEU 29 HA LEU 29 -2.931 -1.434 0.732
213 HB2 LEU 29 2HB LEU 29 -5.103 -0.609 1.503
214 HB3 LEU 29 1HB LEU 29 -5.930 -1.773 0.473
215 HG LEU 29 HG LEU 29 -4.958 -3.635 1.720
216 HD11 LEU 29 1HD1 LEU 29 -3.767 -2.737 3.958
217 HD12 LEU 29 2HD1 LEU 29 -3.328 -1.413 2.880
218 HD13 LEU 29 3HD1 LEU 29 -2.855 -3.067 2.485
219 HD21 LEU 29 3HD2 LEU 29 -6.329 -3.431 3.591
220 HD22 LEU 29 1HD2 LEU 29 -6.979 -2.141 2.579
221 HD23 LEU 29 2HD2 LEU 29 -5.857 -1.755 3.883
222 H CYS 30 H CYS 30 -1.757 -3.149 0.091
223 HA CYS 30 HA CYS 30 -3.163 -5.307 -1.349
224 HB2 CYS 30 2HB CYS 30 -0.912 -6.007 -2.131
225 HB3 CYS 30 1HB CYS 30 -1.369 -4.416 -2.689
226 H CYS 31 H CYS 31 -2.917 -7.481 -0.616
227 HA CYS 31 HA CYS 31 -1.616 -7.692 2.028
228 HB2 CYS 31 2HB CYS 31 -4.090 -9.153 1.125
229 HB3 CYS 31 1HB CYS 31 -3.361 -9.207 2.711
230 H ARG 32 H ARG 32 -0.322 -9.439 2.375
231 HA ARG 32 HA ARG 32 -0.294 -11.600 0.384
232 HB2 ARG 32 2HB ARG 32 2.106 -11.399 0.030
233 HB3 ARG 32 1HB ARG 32 1.308 -9.891 -0.413
234 HG2 ARG 32 2HG ARG 32 1.785 -9.210 2.065
235 HG3 ARG 32 1HG ARG 32 2.999 -10.491 1.990
236 HD2 ARG 32 2HD ARG 32 3.907 -9.434 -0.086
237 HD3 ARG 32 1HD ARG 32 2.774 -8.104 0.148
238 HE ARG 32 HE ARG 32 4.379 -8.576 2.483
239 HH11 ARG 32 1HH2 ARG 32 4.310 -7.132 -0.663
240 HH12 ARG 32 2HH2 ARG 32 5.505 -5.936 -0.289
241 HH21 ARG 32 1HH1 ARG 32 5.948 -7.011 2.976
242 HH22 ARG 32 2HH1 ARG 32 6.432 -5.867 1.769
Start of MODEL 12
1 H1 ALA 1 1HT ALA 1 -1.394 -14.122 5.878
2 H2 ALA 1 2HT ALA 1 -2.827 -13.935 4.984
3 H3 ALA 1 3HT ALA 1 -2.557 -12.988 6.368
4 HA ALA 1 HA ALA 1 -0.481 -12.761 4.381
5 HB1 ALA 1 2HB ALA 1 -3.092 -11.407 3.748
6 HB2 ALA 1 3HB ALA 1 -2.774 -13.031 3.139
7 HB3 ALA 1 1HB ALA 1 -1.707 -11.698 2.693
8 H THR 2 H THR 2 -0.154 -10.308 4.078
9 HA THR 2 HA THR 2 -0.841 -8.893 6.578
10 HB THR 2 HB THR 2 1.765 -8.868 5.035
11 HG1 THR 2 1HG THR 2 2.442 -9.470 7.265
12 HG21 THR 2 3HG2 THR 2 0.552 -6.953 6.919
13 HG22 THR 2 1HG2 THR 2 1.852 -6.717 5.751
14 HG23 THR 2 2HG2 THR 2 2.198 -7.439 7.324
15 H CYS 3 H CYS 3 -2.223 -7.355 6.091
16 HA CYS 3 HA CYS 3 -2.243 -6.095 3.473
17 HB2 CYS 3 2HB CYS 3 -3.976 -5.661 5.917
18 HB3 CYS 3 1HB CYS 3 -4.225 -4.911 4.345
19 H TYR 4 H TYR 4 -1.524 -4.089 2.995
20 HA TYR 4 HA TYR 4 -1.039 -2.100 5.026
21 HB2 TYR 4 2HB TYR 4 1.379 -1.903 4.642
22 HB3 TYR 4 1HB TYR 4 0.974 -3.491 5.296
23 HD1 TYR 4 1HD TYR 4 1.975 -1.634 2.263
24 HD2 TYR 4 2HD TYR 4 1.179 -5.499 3.958
25 HE1 TYR 4 1HE TYR 4 3.012 -2.715 0.286
26 HE2 TYR 4 2HE TYR 4 2.215 -6.580 1.984
27 HH TYR 4 HH TYR 4 3.935 -5.921 0.219
28 H CYS 5 H CYS 5 -0.457 -0.030 4.122
29 HA CYS 5 HA CYS 5 -1.386 0.247 1.369
30 HB2 CYS 5 2HB CYS 5 -0.565 2.512 3.170
31 HB3 CYS 5 1HB CYS 5 -1.720 2.502 1.861
32 H ARG 6 H ARG 6 -0.158 1.052 -0.296
33 HA ARG 6 HA ARG 6 2.666 1.689 0.254
34 HB2 ARG 6 2HB ARG 6 3.386 0.321 -1.633
35 HB3 ARG 6 1HB ARG 6 2.511 -0.681 -0.474
36 HG2 ARG 6 2HG ARG 6 0.756 -1.025 -1.882
37 HG3 ARG 6 1HG ARG 6 0.858 0.584 -2.592
38 HD2 ARG 6 2HD ARG 6 2.895 -1.580 -3.112
39 HD3 ARG 6 1HD ARG 6 1.485 -1.309 -4.128
40 HE ARG 6 HE ARG 6 2.464 1.073 -4.316
41 HH11 ARG 6 1HH2 ARG 6 4.280 -1.858 -3.933
42 HH12 ARG 6 2HH2 ARG 6 5.687 -1.247 -4.733
43 HH21 ARG 6 1HH1 ARG 6 4.315 1.870 -5.367
44 HH22 ARG 6 2HH1 ARG 6 5.708 0.856 -5.543
45 H THR 7 H THR 7 3.705 2.906 -1.464
46 HA THR 7 HA THR 7 1.852 4.775 -2.710
47 HB THR 7 HB THR 7 3.857 5.638 -1.593
48 HG1 THR 7 1HG THR 7 3.030 6.702 -3.459
49 HG21 THR 7 3HG2 THR 7 5.760 4.449 -1.746
50 HG22 THR 7 1HG2 THR 7 5.907 4.999 -3.415
51 HG23 THR 7 2HG2 THR 7 5.096 3.474 -3.057
52 H GLY 8 H GLY 8 0.987 3.037 -4.143
53 HA2 GLY 8 2HA GLY 8 1.123 3.166 -6.687
54 HA3 GLY 8 1HA GLY 8 2.742 2.512 -6.461
55 H ARG 9 H ARG 9 1.915 0.774 -7.866
56 HA ARG 9 HA ARG 9 -0.081 -1.033 -6.849
57 HB2 ARG 9 2HB ARG 9 0.085 -2.099 -8.858
58 HB3 ARG 9 1HB ARG 9 0.817 -0.566 -9.330
59 HG2 ARG 9 2HG ARG 9 2.341 -3.011 -8.376
60 HG3 ARG 9 1HG ARG 9 2.197 -2.486 -10.048
61 HD2 ARG 9 2HD ARG 9 3.222 -0.592 -7.956
62 HD3 ARG 9 1HD ARG 9 4.307 -1.755 -8.707
63 HE ARG 9 HE ARG 9 3.081 0.563 -9.979
64 HH11 ARG 9 1HH2 ARG 9 4.732 -2.459 -10.287
65 HH12 ARG 9 2HH2 ARG 9 5.330 -2.129 -11.878
66 HH21 ARG 9 1HH1 ARG 9 3.861 1.006 -12.067
67 HH22 ARG 9 2HH1 ARG 9 4.837 -0.168 -12.887
68 H CYS 10 H CYS 10 0.330 -3.259 -6.314
69 HA CYS 10 HA CYS 10 2.872 -3.585 -4.851
70 HB2 CYS 10 2HB CYS 10 0.099 -4.641 -4.407
71 HB3 CYS 10 1HB CYS 10 1.489 -5.504 -3.748
72 H ALA 11 H ALA 11 2.746 -6.355 -4.499
73 HA ALA 11 HA ALA 11 3.662 -7.232 -7.125
74 HB1 ALA 11 1HB ALA 11 3.718 -9.270 -5.069
75 HB2 ALA 11 2HB ALA 11 4.434 -7.766 -4.485
76 HB3 ALA 11 3HB ALA 11 5.059 -8.532 -5.946
77 H THR 12 H THR 12 3.015 -9.320 -7.993
78 HA THR 12 HA THR 12 0.226 -9.574 -8.258
79 HB THR 12 HB THR 12 2.420 -11.565 -8.877
80 HG1 THR 12 1HG THR 12 2.684 -10.392 -10.581
81 HG21 THR 12 3HG2 THR 12 0.270 -11.986 -10.588
82 HG22 THR 12 1HG2 THR 12 -0.490 -11.732 -9.016
83 HG23 THR 12 2HG2 THR 12 0.717 -13.002 -9.217
84 H ARG 13 H ARG 13 2.565 -11.373 -6.307
85 HA ARG 13 HA ARG 13 0.852 -13.352 -5.315
86 HB2 ARG 13 2HB ARG 13 3.195 -12.010 -3.937
87 HB3 ARG 13 1HB ARG 13 2.464 -13.540 -3.454
88 HG2 ARG 13 2HG ARG 13 3.535 -13.112 -6.244
89 HG3 ARG 13 1HG ARG 13 4.572 -13.669 -4.930
90 HD2 ARG 13 2HD ARG 13 3.024 -15.569 -4.540
91 HD3 ARG 13 1HD ARG 13 2.036 -15.029 -5.892
92 HE ARG 13 HE ARG 13 4.695 -16.245 -6.068
93 HH11 ARG 13 1HH2 ARG 13 1.964 -14.730 -7.562
94 HH12 ARG 13 2HH2 ARG 13 2.356 -15.281 -9.157
95 HH21 ARG 13 1HH1 ARG 13 5.213 -16.973 -8.155
96 HH22 ARG 13 2HH1 ARG 13 4.196 -16.551 -9.492
97 H GLU 14 H GLU 14 1.235 -9.997 -4.434
98 HA GLU 14 HA GLU 14 -0.167 -10.156 -1.942
99 HB2 GLU 14 2HB GLU 14 -0.097 -7.625 -3.514
100 HB3 GLU 14 1HB GLU 14 0.167 -7.901 -1.793
101 HG2 GLU 14 2HG GLU 14 2.274 -9.234 -2.642
102 HG3 GLU 14 1HG GLU 14 2.079 -8.209 -4.063
103 H SER 15 H SER 15 -2.172 -8.666 -1.676
104 HA SER 15 HA SER 15 -4.060 -9.058 -3.903
105 HB2 SER 15 2HB SER 15 -5.742 -9.650 -2.008
106 HB3 SER 15 1HB SER 15 -4.652 -10.863 -2.641
107 HG SER 15 HG SER 15 -3.335 -10.608 -0.886
108 H LEU 16 H LEU 16 -5.221 -7.320 -4.302
109 HA LEU 16 HA LEU 16 -4.937 -4.975 -2.631
110 HB2 LEU 16 2HB LEU 16 -5.489 -5.438 -5.342
111 HB3 LEU 16 1HB LEU 16 -6.962 -4.719 -4.690
112 HG LEU 16 HG LEU 16 -5.416 -2.966 -5.465
113 HD11 LEU 16 1HD1 LEU 16 -5.001 -2.379 -2.686
114 HD12 LEU 16 2HD1 LEU 16 -6.557 -3.191 -2.862
115 HD13 LEU 16 3HD1 LEU 16 -6.221 -1.719 -3.775
116 HD21 LEU 16 3HD2 LEU 16 -3.442 -3.324 -3.339
117 HD22 LEU 16 1HD2 LEU 16 -3.190 -3.042 -5.061
118 HD23 LEU 16 2HD2 LEU 16 -3.456 -4.682 -4.466
119 H SER 17 H SER 17 -6.252 -4.338 -1.056
120 HA SER 17 HA SER 17 -8.853 -5.702 -0.778
121 HB2 SER 17 2HB SER 17 -8.697 -5.266 1.579
122 HB3 SER 17 1HB SER 17 -7.148 -5.925 1.065
123 HG SER 17 HG SER 17 -7.406 -3.183 0.878
124 H GLY 18 H GLY 18 -7.334 -2.651 -1.296
125 HA2 GLY 18 2HA GLY 18 -9.555 -1.258 -2.119
126 HA3 GLY 18 1HA GLY 18 -9.495 -0.999 -0.378
127 H VAL 19 H VAL 19 -9.271 1.258 -1.602
128 HA VAL 19 HA VAL 19 -6.450 1.835 -2.201
129 HB VAL 19 HB VAL 19 -8.379 2.670 -3.656
130 HG11 VAL 19 1HG1 VAL 19 -9.654 3.337 -1.456
131 HG12 VAL 19 2HG1 VAL 19 -9.796 4.360 -2.887
132 HG13 VAL 19 3HG1 VAL 19 -8.703 4.818 -1.581
133 HG21 VAL 19 3HG2 VAL 19 -6.303 4.478 -2.420
134 HG22 VAL 19 1HG2 VAL 19 -7.363 5.048 -3.710
135 HG23 VAL 19 2HG2 VAL 19 -6.272 3.691 -3.998
136 H CYS 20 H CYS 20 -5.189 2.452 -0.579
137 HA CYS 20 HA CYS 20 -6.222 3.296 1.968
138 HB2 CYS 20 2HB CYS 20 -3.537 2.819 0.770
139 HB3 CYS 20 1HB CYS 20 -3.636 3.792 2.237
140 H GLU 21 H GLU 21 -5.134 5.297 3.005
141 HA GLU 21 HA GLU 21 -4.958 7.540 1.109
142 HB2 GLU 21 2HB GLU 21 -7.298 7.437 1.920
143 HB3 GLU 21 1HB GLU 21 -6.711 7.548 3.581
144 HG2 GLU 21 2HG GLU 21 -5.704 9.723 3.115
145 HG3 GLU 21 1HG GLU 21 -6.184 9.610 1.422
146 H ILE 22 H ILE 22 -2.910 8.171 1.463
147 HA ILE 22 HA ILE 22 -2.117 8.718 4.260
148 HB ILE 22 HB ILE 22 -0.401 7.552 2.061
149 HG12 ILE 22 2HG1 ILE 22 -1.035 6.345 4.757
150 HG13 ILE 22 1HG1 ILE 22 -2.078 6.065 3.363
151 HG21 ILE 22 1HG2 ILE 22 1.275 8.586 3.177
152 HG22 ILE 22 2HG2 ILE 22 0.981 7.409 4.455
153 HG23 ILE 22 3HG2 ILE 22 0.223 9.000 4.532
154 HD11 ILE 22 3HD1 ILE 22 0.168 4.589 4.000
155 HD12 ILE 22 1HD1 ILE 22 0.765 5.693 2.760
156 HD13 ILE 22 2HD1 ILE 22 -0.608 4.639 2.418
157 H SER 23 H SER 23 -1.226 10.674 4.626
158 HA SER 23 HA SER 23 -0.654 12.869 4.243
159 HB2 SER 23 2HB SER 23 0.826 13.066 2.050
160 HB3 SER 23 1HB SER 23 1.442 12.286 3.502
161 HG SER 23 HG SER 23 1.295 11.226 1.161
162 H GLY 24 H GLY 24 -3.215 12.058 3.286
163 HA2 GLY 24 2HA GLY 24 -4.951 13.042 2.122
164 HA3 GLY 24 1HA GLY 24 -3.817 14.279 1.588
165 H ARG 25 H ARG 25 -2.374 11.452 0.820
166 HA ARG 25 HA ARG 25 -3.403 11.548 -1.932
167 HB2 ARG 25 2HB ARG 25 -1.032 11.973 -1.801
168 HB3 ARG 25 1HB ARG 25 -0.789 10.539 -0.807
169 HG2 ARG 25 2HG ARG 25 -1.534 9.103 -2.658
170 HG3 ARG 25 1HG ARG 25 -1.833 10.527 -3.654
171 HD2 ARG 25 2HD ARG 25 0.548 11.128 -3.531
172 HD3 ARG 25 1HD ARG 25 0.858 9.726 -2.513
173 HE ARG 25 HE ARG 25 0.651 8.350 -4.405
174 HH11 ARG 25 1HH2 ARG 25 -0.206 11.639 -5.053
175 HH12 ARG 25 2HH2 ARG 25 -0.216 11.443 -6.773
176 HH21 ARG 25 1HH1 ARG 25 0.641 8.085 -6.663
177 HH22 ARG 25 2HH1 ARG 25 0.263 9.432 -7.685
178 H LEU 26 H LEU 26 -3.946 9.656 -3.034
179 HA LEU 26 HA LEU 26 -5.073 7.591 -1.375
180 HB2 LEU 26 2HB LEU 26 -4.960 8.115 -4.332
181 HB3 LEU 26 1HB LEU 26 -5.543 6.568 -3.716
182 HG LEU 26 HG LEU 26 -7.307 8.402 -4.107
183 HD11 LEU 26 1HD1 LEU 26 -8.388 6.878 -2.839
184 HD12 LEU 26 2HD1 LEU 26 -7.972 7.876 -1.445
185 HD13 LEU 26 3HD1 LEU 26 -6.932 6.528 -1.906
186 HD21 LEU 26 3HD2 LEU 26 -6.283 9.421 -1.451
187 HD22 LEU 26 1HD2 LEU 26 -7.480 10.159 -2.515
188 HD23 LEU 26 2HD2 LEU 26 -5.779 10.142 -2.981
189 H TYR 27 H TYR 27 -4.298 5.620 -0.934
190 HA TYR 27 HA TYR 27 -1.772 4.777 -2.219
191 HB2 TYR 27 2HB TYR 27 -2.585 4.798 0.635
192 HB3 TYR 27 1HB TYR 27 -1.568 3.489 0.043
193 HD1 TYR 27 2HD TYR 27 -1.807 7.200 -0.473
194 HD2 TYR 27 1HD TYR 27 0.709 3.809 0.302
195 HE1 TYR 27 2HE TYR 27 0.180 8.676 -0.410
196 HE2 TYR 27 1HE TYR 27 2.696 5.293 0.359
197 HH TYR 27 HH TYR 27 2.474 8.685 -0.525
198 H ARG 28 H ARG 28 -1.426 2.425 -2.237
199 HA ARG 28 HA ARG 28 -3.981 1.037 -2.744
200 HB2 ARG 28 2HB ARG 28 -1.150 0.306 -3.565
201 HB3 ARG 28 1HB ARG 28 -2.617 -0.550 -4.042
202 HG2 ARG 28 2HG ARG 28 -2.175 2.387 -4.617
203 HG3 ARG 28 1HG ARG 28 -1.721 1.114 -5.751
204 HD2 ARG 28 2HD ARG 28 -4.109 0.283 -5.619
205 HD3 ARG 28 1HD ARG 28 -4.491 1.736 -4.703
206 HE ARG 28 HE ARG 28 -3.240 2.055 -7.339
207 HH11 ARG 28 1HH2 ARG 28 -5.992 2.251 -5.245
208 HH12 ARG 28 2HH2 ARG 28 -6.900 3.271 -6.311
209 HH21 ARG 28 1HH1 ARG 28 -4.429 3.388 -8.740
210 HH22 ARG 28 2HH1 ARG 28 -6.016 3.913 -8.288
211 H LEU 29 H LEU 29 -4.631 -0.612 -1.498
212 HA LEU 29 HA LEU 29 -2.835 -1.470 0.675
213 HB2 LEU 29 2HB LEU 29 -4.974 -0.566 1.409
214 HB3 LEU 29 1HB LEU 29 -5.839 -1.701 0.373
215 HG LEU 29 HG LEU 29 -4.978 -3.600 1.650
216 HD11 LEU 29 1HD1 LEU 29 -2.835 -3.078 2.376
217 HD12 LEU 29 2HD1 LEU 29 -3.734 -2.806 3.868
218 HD13 LEU 29 3HD1 LEU 29 -3.276 -1.439 2.851
219 HD21 LEU 29 3HD2 LEU 29 -6.901 -1.929 2.503
220 HD22 LEU 29 1HD2 LEU 29 -5.765 -1.715 3.837
221 HD23 LEU 29 2HD2 LEU 29 -6.390 -3.320 3.459
222 H CYS 30 H CYS 30 -1.659 -3.168 -0.020
223 HA CYS 30 HA CYS 30 -3.098 -5.369 -1.355
224 HB2 CYS 30 2HB CYS 30 -0.847 -6.099 -2.121
225 HB3 CYS 30 1HB CYS 30 -1.336 -4.539 -2.756
226 H CYS 31 H CYS 31 -2.934 -7.497 -0.533
227 HA CYS 31 HA CYS 31 -1.612 -7.669 2.104
228 HB2 CYS 31 2HB CYS 31 -4.023 -9.209 1.160
229 HB3 CYS 31 1HB CYS 31 -3.350 -9.189 2.778
230 H ARG 32 H ARG 32 -0.288 -9.377 2.493
231 HA ARG 32 HA ARG 32 -0.189 -11.609 0.613
232 HB2 ARG 32 2HB ARG 32 2.160 -11.331 0.106
233 HB3 ARG 32 1HB ARG 32 1.296 -9.864 -0.355
234 HG2 ARG 32 2HG ARG 32 1.892 -9.047 2.050
235 HG3 ARG 32 1HG ARG 32 3.116 -10.318 1.994
236 HD2 ARG 32 2HD ARG 32 3.986 -9.373 -0.108
237 HD3 ARG 32 1HD ARG 32 2.779 -8.094 -0.026
238 HE ARG 32 HE ARG 32 3.925 -7.543 2.214
239 HH11 ARG 32 1HH2 ARG 32 5.508 -8.942 -0.537
240 HH12 ARG 32 2HH2 ARG 32 7.064 -8.303 -0.133
241 HH21 ARG 32 1HH1 ARG 32 5.968 -6.704 2.740
242 HH22 ARG 32 2HH1 ARG 32 7.325 -7.038 1.716
Start of MODEL 13
1 H1 ALA 1 1HT ALA 1 -1.620 -14.406 5.267
2 H2 ALA 1 2HT ALA 1 -3.077 -13.540 5.148
3 H3 ALA 1 3HT ALA 1 -2.002 -13.228 6.426
4 HA ALA 1 HA ALA 1 -0.426 -12.815 4.283
5 HB1 ALA 1 2HB ALA 1 -2.594 -11.130 3.400
6 HB2 ALA 1 3HB ALA 1 -3.090 -12.820 3.330
7 HB3 ALA 1 1HB ALA 1 -1.647 -12.288 2.468
8 H THR 2 H THR 2 -0.135 -10.334 3.961
9 HA THR 2 HA THR 2 -0.787 -8.960 6.496
10 HB THR 2 HB THR 2 1.759 -8.780 4.860
11 HG1 THR 2 1HG THR 2 1.044 -10.511 6.637
12 HG21 THR 2 3HG2 THR 2 0.549 -6.880 6.571
13 HG22 THR 2 1HG2 THR 2 2.188 -6.845 5.919
14 HG23 THR 2 2HG2 THR 2 1.878 -7.597 7.484
15 H CYS 3 H CYS 3 -2.250 -7.468 6.047
16 HA CYS 3 HA CYS 3 -2.335 -6.158 3.455
17 HB2 CYS 3 2HB CYS 3 -4.058 -5.873 5.930
18 HB3 CYS 3 1HB CYS 3 -4.335 -5.025 4.415
19 H TYR 4 H TYR 4 -1.676 -4.124 3.013
20 HA TYR 4 HA TYR 4 -1.256 -2.139 5.044
21 HB2 TYR 4 2HB TYR 4 1.174 -1.910 4.749
22 HB3 TYR 4 1HB TYR 4 0.765 -3.497 5.399
23 HD1 TYR 4 2HD TYR 4 1.746 -1.661 2.330
24 HD2 TYR 4 1HD TYR 4 1.152 -5.508 4.147
25 HE1 TYR 4 2HE TYR 4 2.867 -2.744 0.402
26 HE2 TYR 4 1HE TYR 4 2.273 -6.591 2.218
27 HH TYR 4 HH TYR 4 2.809 -6.164 -0.073
28 H CYS 5 H CYS 5 -0.729 -0.064 4.158
29 HA CYS 5 HA CYS 5 -1.524 0.173 1.362
30 HB2 CYS 5 2HB CYS 5 -0.860 2.474 3.172
31 HB3 CYS 5 1HB CYS 5 -1.970 2.409 1.829
32 H ARG 6 H ARG 6 -0.250 1.006 -0.254
33 HA ARG 6 HA ARG 6 2.521 1.750 0.418
34 HB2 ARG 6 2HB ARG 6 3.371 0.383 -1.425
35 HB3 ARG 6 1HB ARG 6 2.507 -0.628 -0.268
36 HG2 ARG 6 2HG ARG 6 0.824 -1.101 -1.725
37 HG3 ARG 6 1HG ARG 6 0.854 0.503 -2.453
38 HD2 ARG 6 2HD ARG 6 1.627 -1.362 -3.965
39 HD3 ARG 6 1HD ARG 6 2.771 -0.038 -3.783
40 HE ARG 6 HE ARG 6 3.088 -2.367 -2.024
41 HH11 ARG 6 1HH2 ARG 6 4.072 -0.511 -4.774
42 HH12 ARG 6 2HH2 ARG 6 5.638 -1.242 -4.880
43 HH21 ARG 6 1HH1 ARG 6 5.140 -3.330 -2.155
44 HH22 ARG 6 2HH1 ARG 6 6.244 -2.838 -3.398
45 H THR 7 H THR 7 3.575 3.031 -1.208
46 HA THR 7 HA THR 7 1.741 4.823 -2.551
47 HB THR 7 HB THR 7 4.758 4.753 -2.344
48 HG1 THR 7 1HG THR 7 4.400 5.928 -0.655
49 HG21 THR 7 3HG2 THR 7 4.565 5.940 -4.305
50 HG22 THR 7 1HG2 THR 7 4.243 7.249 -3.167
51 HG23 THR 7 2HG2 THR 7 2.903 6.427 -3.969
52 H GLY 8 H GLY 8 0.945 2.976 -3.941
53 HA2 GLY 8 2HA GLY 8 1.078 3.095 -6.492
54 HA3 GLY 8 1HA GLY 8 2.722 2.509 -6.255
55 H ARG 9 H ARG 9 1.528 0.861 -7.791
56 HA ARG 9 HA ARG 9 -0.244 -1.042 -6.665
57 HB2 ARG 9 2HB ARG 9 0.047 -0.714 -9.092
58 HB3 ARG 9 1HB ARG 9 1.676 -1.381 -8.969
59 HG2 ARG 9 2HG ARG 9 0.826 -3.504 -8.210
60 HG3 ARG 9 1HG ARG 9 -0.811 -2.858 -8.083
61 HD2 ARG 9 2HD ARG 9 -0.624 -4.125 -10.149
62 HD3 ARG 9 1HD ARG 9 -0.787 -2.414 -10.526
63 HE ARG 9 HE ARG 9 1.963 -3.188 -10.346
64 HH11 ARG 9 1HH2 ARG 9 -0.863 -3.281 -12.342
65 HH12 ARG 9 2HH2 ARG 9 0.020 -3.367 -13.828
66 HH21 ARG 9 1HH1 ARG 9 3.128 -3.301 -12.293
67 HH22 ARG 9 2HH1 ARG 9 2.281 -3.378 -13.800
68 H CYS 10 H CYS 10 0.229 -3.256 -6.128
69 HA CYS 10 HA CYS 10 2.850 -3.532 -4.799
70 HB2 CYS 10 2HB CYS 10 0.118 -4.615 -4.262
71 HB3 CYS 10 1HB CYS 10 1.519 -5.526 -3.714
72 H ALA 11 H ALA 11 3.018 -6.214 -4.481
73 HA ALA 11 HA ALA 11 3.817 -7.068 -7.128
74 HB1 ALA 11 1HB ALA 11 5.297 -8.257 -5.942
75 HB2 ALA 11 2HB ALA 11 3.986 -9.194 -5.225
76 HB3 ALA 11 3HB ALA 11 4.533 -7.708 -4.450
77 H THR 12 H THR 12 3.217 -9.191 -7.999
78 HA THR 12 HA THR 12 0.439 -9.468 -8.304
79 HB THR 12 HB THR 12 2.645 -11.475 -8.832
80 HG1 THR 12 1HG THR 12 1.354 -10.160 -10.874
81 HG21 THR 12 3HG2 THR 12 0.968 -12.462 -10.404
82 HG22 THR 12 1HG2 THR 12 -0.246 -11.375 -9.730
83 HG23 THR 12 2HG2 THR 12 0.499 -12.606 -8.711
84 H ARG 13 H ARG 13 2.741 -11.228 -6.267
85 HA ARG 13 HA ARG 13 1.005 -13.192 -5.275
86 HB2 ARG 13 2HB ARG 13 3.307 -11.826 -3.849
87 HB3 ARG 13 1HB ARG 13 2.579 -13.367 -3.398
88 HG2 ARG 13 2HG ARG 13 3.700 -12.924 -6.161
89 HG3 ARG 13 1HG ARG 13 4.730 -13.449 -4.829
90 HD2 ARG 13 2HD ARG 13 3.154 -15.356 -4.437
91 HD3 ARG 13 1HD ARG 13 2.260 -14.864 -5.870
92 HE ARG 13 HE ARG 13 4.986 -15.981 -5.835
93 HH11 ARG 13 1HH2 ARG 13 2.193 -14.823 -7.524
94 HH12 ARG 13 2HH2 ARG 13 2.674 -15.487 -9.049
95 HH21 ARG 13 1HH1 ARG 13 5.618 -16.850 -7.832
96 HH22 ARG 13 2HH1 ARG 13 4.612 -16.634 -9.225
97 H GLU 14 H GLU 14 1.394 -9.812 -4.444
98 HA GLU 14 HA GLU 14 -0.062 -9.919 -1.980
99 HB2 GLU 14 2HB GLU 14 0.061 -7.408 -3.581
100 HB3 GLU 14 1HB GLU 14 0.298 -7.662 -1.853
101 HG2 GLU 14 2HG GLU 14 2.390 -9.066 -2.740
102 HG3 GLU 14 1HG GLU 14 2.239 -7.934 -4.082
103 H SER 15 H SER 15 -2.133 -8.787 -1.631
104 HA SER 15 HA SER 15 -3.943 -9.013 -3.958
105 HB2 SER 15 2HB SER 15 -5.659 -9.777 -2.180
106 HB3 SER 15 1HB SER 15 -4.455 -10.908 -2.753
107 HG SER 15 HG SER 15 -4.845 -10.551 -0.348
108 H LEU 16 H LEU 16 -5.280 -7.358 -4.251
109 HA LEU 16 HA LEU 16 -5.035 -5.042 -2.533
110 HB2 LEU 16 2HB LEU 16 -5.827 -5.550 -5.240
111 HB3 LEU 16 1HB LEU 16 -7.112 -4.652 -4.431
112 HG LEU 16 HG LEU 16 -5.354 -3.189 -5.489
113 HD11 LEU 16 1HD1 LEU 16 -6.354 -3.126 -2.747
114 HD12 LEU 16 2HD1 LEU 16 -6.239 -1.819 -3.924
115 HD13 LEU 16 3HD1 LEU 16 -4.847 -2.227 -2.921
116 HD21 LEU 16 3HD2 LEU 16 -3.615 -5.021 -4.286
117 HD22 LEU 16 1HD2 LEU 16 -3.442 -3.559 -3.314
118 HD23 LEU 16 2HD2 LEU 16 -3.156 -3.502 -5.055
119 H SER 17 H SER 17 -6.303 -4.508 -0.895
120 HA SER 17 HA SER 17 -8.837 -5.983 -0.565
121 HB2 SER 17 2HB SER 17 -8.608 -5.664 1.775
122 HB3 SER 17 1HB SER 17 -7.001 -6.099 1.210
123 HG SER 17 HG SER 17 -8.013 -3.513 1.771
124 H GLY 18 H GLY 18 -7.461 -2.861 -1.060
125 HA2 GLY 18 2HA GLY 18 -9.802 -1.563 -1.758
126 HA3 GLY 18 1HA GLY 18 -9.611 -1.289 -0.029
127 H VAL 19 H VAL 19 -9.568 0.965 -1.277
128 HA VAL 19 HA VAL 19 -6.825 1.635 -2.113
129 HB VAL 19 HB VAL 19 -8.777 2.405 -3.480
130 HG11 VAL 19 1HG1 VAL 19 -10.493 3.630 -2.603
131 HG12 VAL 19 2HG1 VAL 19 -9.428 4.524 -1.517
132 HG13 VAL 19 3HG1 VAL 19 -9.976 2.906 -1.080
133 HG21 VAL 19 3HG2 VAL 19 -7.068 3.840 -3.966
134 HG22 VAL 19 1HG2 VAL 19 -6.712 4.145 -2.266
135 HG23 VAL 19 2HG2 VAL 19 -8.041 4.995 -3.056
136 H CYS 20 H CYS 20 -5.452 2.565 -0.757
137 HA CYS 20 HA CYS 20 -6.368 3.434 1.880
138 HB2 CYS 20 2HB CYS 20 -3.764 2.659 0.667
139 HB3 CYS 20 1HB CYS 20 -3.741 3.724 2.072
140 H GLU 21 H GLU 21 -5.142 5.394 2.787
141 HA GLU 21 HA GLU 21 -4.680 7.491 0.793
142 HB2 GLU 21 2HB GLU 21 -7.078 7.653 1.309
143 HB3 GLU 21 1HB GLU 21 -6.703 7.772 3.029
144 HG2 GLU 21 2HG GLU 21 -5.423 9.828 2.628
145 HG3 GLU 21 1HG GLU 21 -5.743 9.704 0.899
146 H ILE 22 H ILE 22 -2.700 8.170 1.327
147 HA ILE 22 HA ILE 22 -2.142 8.753 4.173
148 HB ILE 22 HB ILE 22 -0.233 7.460 2.206
149 HG12 ILE 22 2HG1 ILE 22 -1.304 6.280 4.778
150 HG13 ILE 22 1HG1 ILE 22 -2.155 6.061 3.249
151 HG21 ILE 22 1HG2 ILE 22 0.922 8.956 3.759
152 HG22 ILE 22 2HG2 ILE 22 1.224 7.285 4.233
153 HG23 ILE 22 3HG2 ILE 22 0.052 8.256 5.123
154 HD11 ILE 22 3HD1 ILE 22 -0.657 4.550 2.512
155 HD12 ILE 22 1HD1 ILE 22 -0.088 4.472 4.179
156 HD13 ILE 22 2HD1 ILE 22 0.714 5.539 3.023
157 H SER 23 H SER 23 -1.013 10.613 4.569
158 HA SER 23 HA SER 23 -0.176 12.716 4.183
159 HB2 SER 23 2HB SER 23 1.640 12.829 2.764
160 HB3 SER 23 1HB SER 23 1.495 11.081 2.926
161 HG SER 23 HG SER 23 -0.132 12.100 0.992
162 H GLY 24 H GLY 24 -2.843 11.856 3.078
163 HA2 GLY 24 2HA GLY 24 -4.562 13.070 2.090
164 HA3 GLY 24 1HA GLY 24 -3.380 14.280 1.598
165 H ARG 25 H ARG 25 -2.148 11.357 0.701
166 HA ARG 25 HA ARG 25 -3.165 11.666 -2.041
167 HB2 ARG 25 2HB ARG 25 -0.771 11.931 -1.909
168 HB3 ARG 25 1HB ARG 25 -0.621 10.430 -0.998
169 HG2 ARG 25 2HG ARG 25 -1.390 9.129 -2.894
170 HG3 ARG 25 1HG ARG 25 -1.742 10.597 -3.806
171 HD2 ARG 25 2HD ARG 25 0.397 9.679 -4.539
172 HD3 ARG 25 1HD ARG 25 0.663 11.208 -3.708
173 HE ARG 25 HE ARG 25 0.857 9.023 -1.887
174 HH11 ARG 25 1HH2 ARG 25 2.482 10.660 -4.463
175 HH12 ARG 25 2HH2 ARG 25 4.070 10.222 -3.924
176 HH21 ARG 25 1HH1 ARG 25 2.933 8.447 -1.173
177 HH22 ARG 25 2HH1 ARG 25 4.324 8.969 -2.062
178 H LEU 26 H LEU 26 -3.518 9.727 -3.307
179 HA LEU 26 HA LEU 26 -5.001 7.769 -1.792
180 HB2 LEU 26 2HB LEU 26 -5.754 8.623 -4.009
181 HB3 LEU 26 1HB LEU 26 -4.367 7.832 -4.756
182 HG LEU 26 HG LEU 26 -6.269 6.279 -3.011
183 HD11 LEU 26 1HD1 LEU 26 -7.829 7.059 -4.564
184 HD12 LEU 26 2HD1 LEU 26 -7.241 5.599 -5.359
185 HD13 LEU 26 3HD1 LEU 26 -6.633 7.177 -5.855
186 HD21 LEU 26 3HD2 LEU 26 -4.787 4.662 -3.531
187 HD22 LEU 26 1HD2 LEU 26 -3.940 5.727 -4.654
188 HD23 LEU 26 2HD2 LEU 26 -5.325 4.786 -5.204
189 H TYR 27 H TYR 27 -4.356 5.818 -1.159
190 HA TYR 27 HA TYR 27 -1.802 4.751 -2.197
191 HB2 TYR 27 2HB TYR 27 -2.805 5.022 0.582
192 HB3 TYR 27 1HB TYR 27 -1.861 3.600 0.156
193 HD1 TYR 27 1HD TYR 27 -1.781 7.295 -0.472
194 HD2 TYR 27 2HD TYR 27 0.437 3.726 0.416
195 HE1 TYR 27 1HE TYR 27 0.314 8.613 -0.354
196 HE2 TYR 27 2HE TYR 27 2.530 5.052 0.528
197 HH TYR 27 HH TYR 27 2.646 8.264 0.896
198 H ARG 28 H ARG 28 -1.613 2.431 -2.227
199 HA ARG 28 HA ARG 28 -4.239 1.128 -2.638
200 HB2 ARG 28 2HB ARG 28 -1.483 0.323 -3.630
201 HB3 ARG 28 1HB ARG 28 -3.000 -0.488 -4.016
202 HG2 ARG 28 2HG ARG 28 -2.707 2.453 -4.550
203 HG3 ARG 28 1HG ARG 28 -2.040 1.284 -5.693
204 HD2 ARG 28 2HD ARG 28 -4.908 1.239 -4.717
205 HD3 ARG 28 1HD ARG 28 -4.397 2.005 -6.217
206 HE ARG 28 HE ARG 28 -3.449 -0.657 -6.177
207 HH11 ARG 28 1HH2 ARG 28 -6.370 1.185 -6.370
208 HH12 ARG 28 2HH2 ARG 28 -7.223 -0.003 -7.298
209 HH21 ARG 28 1HH1 ARG 28 -4.560 -2.222 -7.393
210 HH22 ARG 28 2HH1 ARG 28 -6.197 -1.932 -7.877
211 H LEU 29 H LEU 29 -4.826 -0.593 -1.432
212 HA LEU 29 HA LEU 29 -2.975 -1.440 0.688
213 HB2 LEU 29 2HB LEU 29 -5.134 -0.600 1.460
214 HB3 LEU 29 1HB LEU 29 -5.977 -1.758 0.434
215 HG LEU 29 HG LEU 29 -5.039 -3.631 1.688
216 HD11 LEU 29 1HD1 LEU 29 -3.795 -2.777 3.902
217 HD12 LEU 29 2HD1 LEU 29 -3.365 -1.430 2.846
218 HD13 LEU 29 3HD1 LEU 29 -2.911 -3.077 2.408
219 HD21 LEU 29 3HD2 LEU 29 -5.885 -1.708 3.843
220 HD22 LEU 29 1HD2 LEU 29 -6.365 -3.387 3.592
221 HD23 LEU 29 2HD2 LEU 29 -7.028 -2.117 2.565
222 H CYS 30 H CYS 30 -1.764 -3.095 -0.038
223 HA CYS 30 HA CYS 30 -3.150 -5.309 -1.396
224 HB2 CYS 30 2HB CYS 30 -0.945 -5.985 -2.222
225 HB3 CYS 30 1HB CYS 30 -1.341 -4.352 -2.712
226 H CYS 31 H CYS 31 -2.887 -7.463 -0.634
227 HA CYS 31 HA CYS 31 -1.621 -7.649 2.024
228 HB2 CYS 31 2HB CYS 31 -4.009 -9.197 1.038
229 HB3 CYS 31 1HB CYS 31 -3.340 -9.209 2.655
230 H ARG 32 H ARG 32 -0.279 -9.352 2.394
231 HA ARG 32 HA ARG 32 -0.118 -11.519 0.433
232 HB2 ARG 32 2HB ARG 32 2.287 -11.226 0.118
233 HB3 ARG 32 1HB ARG 32 1.416 -9.785 -0.409
234 HG2 ARG 32 2HG ARG 32 1.816 -8.954 2.035
235 HG3 ARG 32 1HG ARG 32 3.082 -10.183 2.058
236 HD2 ARG 32 2HD ARG 32 4.039 -9.188 -0.011
237 HD3 ARG 32 1HD ARG 32 2.812 -7.923 0.064
238 HE ARG 32 HE ARG 32 4.191 -8.013 2.533
239 HH11 ARG 32 1HH2 ARG 32 4.649 -7.206 -0.801
240 HH12 ARG 32 2HH2 ARG 32 5.863 -6.013 -0.488
241 HH21 ARG 32 1HH1 ARG 32 5.783 -6.448 2.950
242 HH22 ARG 32 2HH1 ARG 32 6.506 -5.583 1.635
Start of MODEL 14
1 H1 ALA 1 1HT ALA 1 -2.023 -13.415 6.219
2 H2 ALA 1 2HT ALA 1 -2.469 -14.167 4.762
3 H3 ALA 1 3HT ALA 1 -3.366 -12.850 5.350
4 HA ALA 1 HA ALA 1 -0.576 -12.792 4.343
5 HB1 ALA 1 2HB ALA 1 -3.248 -11.875 3.304
6 HB2 ALA 1 3HB ALA 1 -1.987 -12.783 2.467
7 HB3 ALA 1 1HB ALA 1 -1.767 -11.063 2.792
8 H THR 2 H THR 2 -0.079 -10.318 3.956
9 HA THR 2 HA THR 2 -0.759 -8.885 6.450
10 HB THR 2 HB THR 2 1.798 -8.849 4.823
11 HG1 THR 2 1HG THR 2 1.007 -9.868 7.325
12 HG21 THR 2 3HG2 THR 2 1.779 -6.673 5.559
13 HG22 THR 2 1HG2 THR 2 2.403 -7.441 7.021
14 HG23 THR 2 2HG2 THR 2 0.692 -7.027 6.902
15 H CYS 3 H CYS 3 -2.183 -7.353 5.994
16 HA CYS 3 HA CYS 3 -2.233 -6.058 3.396
17 HB2 CYS 3 2HB CYS 3 -3.963 -5.672 5.855
18 HB3 CYS 3 1HB CYS 3 -4.231 -4.911 4.294
19 H TYR 4 H TYR 4 -1.551 -4.034 2.941
20 HA TYR 4 HA TYR 4 -1.069 -2.064 4.985
21 HB2 TYR 4 2HB TYR 4 1.349 -1.854 4.614
22 HB3 TYR 4 1HB TYR 4 0.948 -3.450 5.253
23 HD1 TYR 4 1HD TYR 4 2.043 -1.560 2.288
24 HD2 TYR 4 2HD TYR 4 1.072 -5.445 3.846
25 HE1 TYR 4 1HE TYR 4 3.091 -2.620 0.303
26 HE2 TYR 4 2HE TYR 4 2.119 -6.503 1.863
27 HH TYR 4 HH TYR 4 3.742 -4.541 -0.624
28 H CYS 5 H CYS 5 -0.436 0.004 4.093
29 HA CYS 5 HA CYS 5 -1.379 0.308 1.340
30 HB2 CYS 5 2HB CYS 5 -0.580 2.560 3.160
31 HB3 CYS 5 1HB CYS 5 -1.733 2.554 1.870
32 H ARG 6 H ARG 6 -0.155 1.119 -0.319
33 HA ARG 6 HA ARG 6 2.655 1.806 0.240
34 HB2 ARG 6 2HB ARG 6 3.429 0.416 -1.603
35 HB3 ARG 6 1HB ARG 6 2.539 -0.585 -0.452
36 HG2 ARG 6 2HG ARG 6 0.730 -0.856 -1.862
37 HG3 ARG 6 1HG ARG 6 1.021 0.653 -2.715
38 HD2 ARG 6 2HD ARG 6 2.960 -1.637 -2.903
39 HD3 ARG 6 1HD ARG 6 1.560 -1.528 -3.968
40 HE ARG 6 HE ARG 6 2.558 0.820 -4.468
41 HH11 ARG 6 1HH2 ARG 6 4.305 -2.079 -3.741
42 HH12 ARG 6 2HH2 ARG 6 5.707 -1.624 -4.647
43 HH21 ARG 6 1HH1 ARG 6 4.394 1.421 -5.662
44 HH22 ARG 6 2HH1 ARG 6 5.758 0.356 -5.736
45 H THR 7 H THR 7 3.671 3.038 -1.466
46 HA THR 7 HA THR 7 1.805 4.864 -2.733
47 HB THR 7 HB THR 7 4.832 4.796 -2.778
48 HG1 THR 7 1HG THR 7 3.930 6.797 -1.391
49 HG21 THR 7 3HG2 THR 7 2.793 6.491 -4.062
50 HG22 THR 7 1HG2 THR 7 4.495 6.272 -4.468
51 HG23 THR 7 2HG2 THR 7 4.032 7.385 -3.182
52 H GLY 8 H GLY 8 1.050 2.831 -4.012
53 HA2 GLY 8 2HA GLY 8 1.096 2.998 -6.610
54 HA3 GLY 8 1HA GLY 8 2.729 2.372 -6.385
55 H ARG 9 H ARG 9 1.691 0.658 -7.813
56 HA ARG 9 HA ARG 9 -0.175 -1.161 -6.617
57 HB2 ARG 9 2HB ARG 9 1.380 -1.031 -9.138
58 HB3 ARG 9 1HB ARG 9 0.864 -2.630 -8.598
59 HG2 ARG 9 2HG ARG 9 -1.469 -1.598 -8.293
60 HG3 ARG 9 1HG ARG 9 -0.859 -0.220 -9.213
61 HD2 ARG 9 2HD ARG 9 -0.281 -1.714 -11.079
62 HD3 ARG 9 1HD ARG 9 -0.855 -3.096 -10.146
63 HE ARG 9 HE ARG 9 -2.833 -1.006 -10.509
64 HH11 ARG 9 1HH2 ARG 9 -1.365 -3.873 -11.775
65 HH12 ARG 9 2HH2 ARG 9 -2.734 -4.315 -12.740
66 HH21 ARG 9 1HH1 ARG 9 -4.633 -1.578 -11.771
67 HH22 ARG 9 2HH1 ARG 9 -4.585 -3.016 -12.736
68 H CYS 10 H CYS 10 0.281 -3.410 -6.143
69 HA CYS 10 HA CYS 10 2.927 -3.705 -4.853
70 HB2 CYS 10 2HB CYS 10 0.197 -4.756 -4.250
71 HB3 CYS 10 1HB CYS 10 1.588 -5.707 -3.759
72 H ALA 11 H ALA 11 2.932 -6.459 -4.533
73 HA ALA 11 HA ALA 11 3.689 -7.293 -7.222
74 HB1 ALA 11 1HB ALA 11 3.884 -9.268 -5.056
75 HB2 ALA 11 2HB ALA 11 4.765 -7.771 -4.744
76 HB3 ALA 11 3HB ALA 11 5.114 -8.714 -6.194
77 H THR 12 H THR 12 3.080 -9.478 -7.986
78 HA THR 12 HA THR 12 0.295 -9.768 -8.188
79 HB THR 12 HB THR 12 2.591 -11.619 -8.804
80 HG1 THR 12 1HG THR 12 2.489 -10.408 -10.500
81 HG21 THR 12 3HG2 THR 12 0.502 -12.719 -10.134
82 HG22 THR 12 1HG2 THR 12 -0.313 -12.187 -8.663
83 HG23 THR 12 2HG2 THR 12 1.059 -13.291 -8.560
84 H ARG 13 H ARG 13 2.662 -11.434 -6.146
85 HA ARG 13 HA ARG 13 0.981 -13.369 -5.028
86 HB2 ARG 13 2HB ARG 13 3.311 -11.908 -3.755
87 HB3 ARG 13 1HB ARG 13 2.587 -13.396 -3.146
88 HG2 ARG 13 2HG ARG 13 3.526 -13.274 -5.995
89 HG3 ARG 13 1HG ARG 13 4.700 -13.530 -4.705
90 HD2 ARG 13 2HD ARG 13 2.188 -15.190 -4.948
91 HD3 ARG 13 1HD ARG 13 3.689 -15.636 -5.752
92 HE ARG 13 HE ARG 13 3.990 -15.114 -2.920
93 HH11 ARG 13 1HH2 ARG 13 3.207 -17.416 -5.381
94 HH12 ARG 13 2HH2 ARG 13 3.627 -18.794 -4.421
95 HH21 ARG 13 1HH1 ARG 13 4.543 -16.916 -1.654
96 HH22 ARG 13 2HH1 ARG 13 4.384 -18.511 -2.309
97 H GLU 14 H GLU 14 1.315 -9.951 -4.356
98 HA GLU 14 HA GLU 14 -0.125 -9.998 -1.869
99 HB2 GLU 14 2HB GLU 14 0.013 -7.529 -3.532
100 HB3 GLU 14 1HB GLU 14 0.250 -7.739 -1.795
101 HG2 GLU 14 2HG GLU 14 2.332 -9.186 -2.673
102 HG3 GLU 14 1HG GLU 14 2.194 -8.049 -4.012
103 H SER 15 H SER 15 -2.167 -8.691 -1.618
104 HA SER 15 HA SER 15 -3.965 -8.994 -3.940
105 HB2 SER 15 2HB SER 15 -5.708 -9.667 -2.110
106 HB3 SER 15 1HB SER 15 -4.592 -10.851 -2.738
107 HG SER 15 HG SER 15 -3.259 -9.840 -0.845
108 H LEU 16 H LEU 16 -5.203 -7.275 -4.298
109 HA LEU 16 HA LEU 16 -4.947 -4.952 -2.600
110 HB2 LEU 16 2HB LEU 16 -5.610 -5.438 -5.309
111 HB3 LEU 16 1HB LEU 16 -6.999 -4.631 -4.582
112 HG LEU 16 HG LEU 16 -5.346 -3.007 -5.478
113 HD11 LEU 16 1HD1 LEU 16 -6.366 -1.836 -3.820
114 HD12 LEU 16 2HD1 LEU 16 -4.869 -2.090 -2.924
115 HD13 LEU 16 3HD1 LEU 16 -6.238 -3.173 -2.678
116 HD21 LEU 16 3HD2 LEU 16 -3.492 -4.801 -4.401
117 HD22 LEU 16 1HD2 LEU 16 -3.393 -3.392 -3.342
118 HD23 LEU 16 2HD2 LEU 16 -3.130 -3.213 -5.077
119 H SER 17 H SER 17 -6.274 -4.328 -1.020
120 HA SER 17 HA SER 17 -8.840 -5.764 -0.724
121 HB2 SER 17 2HB SER 17 -8.668 -5.364 1.639
122 HB3 SER 17 1HB SER 17 -7.112 -5.984 1.101
123 HG SER 17 HG SER 17 -7.266 -3.293 0.862
124 H GLY 18 H GLY 18 -7.358 -2.662 -1.128
125 HA2 GLY 18 2HA GLY 18 -9.646 -1.313 -1.917
126 HA3 GLY 18 1HA GLY 18 -9.512 -1.050 -0.181
127 H VAL 19 H VAL 19 -9.374 1.207 -1.412
128 HA VAL 19 HA VAL 19 -6.586 1.817 -2.142
129 HB VAL 19 HB VAL 19 -8.402 2.661 -3.602
130 HG11 VAL 19 1HG1 VAL 19 -10.067 4.154 -2.839
131 HG12 VAL 19 2HG1 VAL 19 -9.204 4.482 -1.337
132 HG13 VAL 19 3HG1 VAL 19 -9.994 2.924 -1.577
133 HG21 VAL 19 3HG2 VAL 19 -6.688 4.593 -2.055
134 HG22 VAL 19 1HG2 VAL 19 -7.751 5.166 -3.337
135 HG23 VAL 19 2HG2 VAL 19 -6.477 4.007 -3.700
136 H CYS 20 H CYS 20 -5.262 2.448 -0.576
137 HA CYS 20 HA CYS 20 -6.211 3.306 2.000
138 HB2 CYS 20 2HB CYS 20 -3.572 2.766 0.752
139 HB3 CYS 20 1HB CYS 20 -3.613 3.775 2.200
140 H GLU 21 H GLU 21 -5.063 5.294 3.001
141 HA GLU 21 HA GLU 21 -4.871 7.522 1.088
142 HB2 GLU 21 2HB GLU 21 -6.731 7.451 3.478
143 HB3 GLU 21 1HB GLU 21 -6.330 8.908 2.566
144 HG2 GLU 21 2HG GLU 21 -7.232 7.923 0.520
145 HG3 GLU 21 1HG GLU 21 -7.561 6.413 1.368
146 H ILE 22 H ILE 22 -2.842 8.197 1.466
147 HA ILE 22 HA ILE 22 -2.061 8.693 4.279
148 HB ILE 22 HB ILE 22 -0.323 7.605 2.048
149 HG12 ILE 22 2HG1 ILE 22 -0.984 6.325 4.708
150 HG13 ILE 22 1HG1 ILE 22 -1.982 6.056 3.279
151 HG21 ILE 22 1HG2 ILE 22 0.248 8.761 4.749
152 HG22 ILE 22 2HG2 ILE 22 1.192 8.868 3.263
153 HG23 ILE 22 3HG2 ILE 22 1.213 7.383 4.216
154 HD11 ILE 22 3HD1 ILE 22 0.344 4.661 3.962
155 HD12 ILE 22 1HD1 ILE 22 0.844 5.748 2.665
156 HD13 ILE 22 2HD1 ILE 22 -0.489 4.618 2.406
157 H SER 23 H SER 23 -1.198 10.651 4.692
158 HA SER 23 HA SER 23 -0.628 12.852 4.362
159 HB2 SER 23 2HB SER 23 0.796 13.102 2.118
160 HB3 SER 23 1HB SER 23 1.460 12.345 3.562
161 HG SER 23 HG SER 23 1.630 10.596 2.433
162 H GLY 24 H GLY 24 -3.149 11.778 3.179
163 HA2 GLY 24 2HA GLY 24 -4.930 12.891 2.163
164 HA3 GLY 24 1HA GLY 24 -3.808 14.126 1.602
165 H ARG 25 H ARG 25 -2.167 11.587 0.702
166 HA ARG 25 HA ARG 25 -3.284 11.568 -1.994
167 HB2 ARG 25 2HB ARG 25 -0.892 11.958 -1.787
168 HB3 ARG 25 1HB ARG 25 -0.710 10.451 -0.903
169 HG2 ARG 25 2HG ARG 25 -1.589 9.217 -2.885
170 HG3 ARG 25 1HG ARG 25 -1.649 10.742 -3.768
171 HD2 ARG 25 2HD ARG 25 0.852 9.558 -2.537
172 HD3 ARG 25 1HD ARG 25 0.425 9.451 -4.242
173 HE ARG 25 HE ARG 25 1.528 11.742 -2.900
174 HH11 ARG 25 1HH2 ARG 25 -0.531 10.649 -5.457
175 HH12 ARG 25 2HH2 ARG 25 -0.303 12.062 -6.431
176 HH21 ARG 25 1HH1 ARG 25 1.832 13.598 -4.172
177 HH22 ARG 25 2HH1 ARG 25 1.035 13.733 -5.704
178 H LEU 26 H LEU 26 -3.897 9.702 -3.094
179 HA LEU 26 HA LEU 26 -5.066 7.661 -1.452
180 HB2 LEU 26 2HB LEU 26 -4.854 8.094 -4.433
181 HB3 LEU 26 1HB LEU 26 -5.578 6.635 -3.756
182 HG LEU 26 HG LEU 26 -6.458 9.393 -2.891
183 HD11 LEU 26 1HD1 LEU 26 -8.150 9.397 -4.561
184 HD12 LEU 26 2HD1 LEU 26 -7.843 7.713 -4.990
185 HD13 LEU 26 3HD1 LEU 26 -6.674 8.961 -5.421
186 HD21 LEU 26 3HD2 LEU 26 -8.407 7.223 -2.963
187 HD22 LEU 26 1HD2 LEU 26 -7.931 8.248 -1.611
188 HD23 LEU 26 2HD2 LEU 26 -7.005 6.795 -1.987
189 H TYR 27 H TYR 27 -4.336 5.679 -0.973
190 HA TYR 27 HA TYR 27 -1.810 4.785 -2.225
191 HB2 TYR 27 2HB TYR 27 -2.637 4.887 0.614
192 HB3 TYR 27 1HB TYR 27 -1.665 3.522 0.068
193 HD1 TYR 27 2HD TYR 27 -1.760 7.218 -0.539
194 HD2 TYR 27 1HD TYR 27 0.622 3.755 0.344
195 HE1 TYR 27 2HE TYR 27 0.280 8.623 -0.490
196 HE2 TYR 27 1HE TYR 27 2.657 5.165 0.389
197 HH TYR 27 HH TYR 27 3.462 7.259 -0.385
198 H ARG 28 H ARG 28 -1.504 2.450 -2.292
199 HA ARG 28 HA ARG 28 -4.076 1.073 -2.742
200 HB2 ARG 28 2HB ARG 28 -1.265 0.313 -3.609
201 HB3 ARG 28 1HB ARG 28 -2.751 -0.524 -4.058
202 HG2 ARG 28 2HG ARG 28 -2.394 2.417 -4.612
203 HG3 ARG 28 1HG ARG 28 -1.801 1.197 -5.741
204 HD2 ARG 28 2HD ARG 28 -4.094 0.209 -5.801
205 HD3 ARG 28 1HD ARG 28 -4.657 1.527 -4.783
206 HE ARG 28 HE ARG 28 -3.774 1.760 -7.579
207 HH11 ARG 28 1HH2 ARG 28 -5.042 3.139 -4.669
208 HH12 ARG 28 2HH2 ARG 28 -5.598 4.587 -5.435
209 HH21 ARG 28 1HH1 ARG 28 -4.501 3.659 -8.590
210 HH22 ARG 28 2HH1 ARG 28 -5.292 4.883 -7.653
211 H LEU 29 H LEU 29 -4.711 -0.575 -1.486
212 HA LEU 29 HA LEU 29 -2.902 -1.432 0.668
213 HB2 LEU 29 2HB LEU 29 -5.051 -0.536 1.406
214 HB3 LEU 29 1HB LEU 29 -5.907 -1.691 0.381
215 HG LEU 29 HG LEU 29 -4.994 -3.570 1.658
216 HD11 LEU 29 1HD1 LEU 29 -3.798 -2.708 3.894
217 HD12 LEU 29 2HD1 LEU 29 -3.339 -1.369 2.841
218 HD13 LEU 29 3HD1 LEU 29 -2.880 -3.020 2.420
219 HD21 LEU 29 3HD2 LEU 29 -6.983 -1.993 2.485
220 HD22 LEU 29 1HD2 LEU 29 -5.868 -1.671 3.812
221 HD23 LEU 29 2HD2 LEU 29 -6.399 -3.321 3.488
222 H CYS 30 H CYS 30 -1.703 -3.097 -0.101
223 HA CYS 30 HA CYS 30 -3.123 -5.313 -1.418
224 HB2 CYS 30 2HB CYS 30 -0.931 -6.018 -2.246
225 HB3 CYS 30 1HB CYS 30 -1.293 -4.378 -2.737
226 H CYS 31 H CYS 31 -2.894 -7.448 -0.647
227 HA CYS 31 HA CYS 31 -1.623 -7.659 2.015
228 HB2 CYS 31 2HB CYS 31 -4.041 -9.169 1.050
229 HB3 CYS 31 1HB CYS 31 -3.364 -9.186 2.657
230 H ARG 32 H ARG 32 -0.178 -9.256 2.285
231 HA ARG 32 HA ARG 32 -0.093 -11.453 0.328
232 HB2 ARG 32 2HB ARG 32 2.333 -11.202 0.088
233 HB3 ARG 32 1HB ARG 32 1.498 -9.743 -0.449
234 HG2 ARG 32 2HG ARG 32 1.839 -9.013 2.074
235 HG3 ARG 32 1HG ARG 32 3.159 -10.183 2.004
236 HD2 ARG 32 2HD ARG 32 4.006 -9.022 -0.045
237 HD3 ARG 32 1HD ARG 32 2.751 -7.808 0.179
238 HE ARG 32 HE ARG 32 4.197 -8.011 2.579
239 HH11 ARG 32 1HH2 ARG 32 4.610 -7.057 -0.722
240 HH12 ARG 32 2HH2 ARG 32 5.835 -5.882 -0.373
241 HH21 ARG 32 1HH1 ARG 32 5.802 -6.473 3.045
242 HH22 ARG 32 2HH1 ARG 32 6.509 -5.553 1.759
Start of MODEL 15
1 H1 ALA 1 1HT ALA 1 -2.219 -13.128 6.649
2 H2 ALA 1 2HT ALA 1 -2.071 -14.323 5.450
3 H3 ALA 1 3HT ALA 1 -3.419 -13.288 5.460
4 HA ALA 1 HA ALA 1 -0.720 -12.824 4.488
5 HB1 ALA 1 2HB ALA 1 -2.726 -13.031 3.025
6 HB2 ALA 1 3HB ALA 1 -1.942 -11.459 2.867
7 HB3 ALA 1 1HB ALA 1 -3.420 -11.616 3.816
8 H THR 2 H THR 2 -0.255 -10.401 4.086
9 HA THR 2 HA THR 2 -0.850 -8.875 6.543
10 HB THR 2 HB THR 2 1.715 -9.075 4.953
11 HG1 THR 2 1HG THR 2 2.078 -10.425 6.500
12 HG21 THR 2 3HG2 THR 2 2.263 -7.416 7.058
13 HG22 THR 2 1HG2 THR 2 0.639 -6.892 6.614
14 HG23 THR 2 2HG2 THR 2 1.933 -6.863 5.416
15 H CYS 3 H CYS 3 -2.215 -7.312 6.028
16 HA CYS 3 HA CYS 3 -2.199 -6.105 3.383
17 HB2 CYS 3 2HB CYS 3 -3.962 -5.613 5.797
18 HB3 CYS 3 1HB CYS 3 -4.179 -4.879 4.215
19 H TYR 4 H TYR 4 -1.446 -4.116 2.886
20 HA TYR 4 HA TYR 4 -0.937 -2.121 4.911
21 HB2 TYR 4 2HB TYR 4 1.473 -1.955 4.534
22 HB3 TYR 4 1HB TYR 4 1.062 -3.560 5.141
23 HD1 TYR 4 1HD TYR 4 1.990 -1.618 2.127
24 HD2 TYR 4 2HD TYR 4 1.314 -5.528 3.773
25 HE1 TYR 4 1HE TYR 4 3.012 -2.644 0.112
26 HE2 TYR 4 2HE TYR 4 2.335 -6.553 1.758
27 HH TYR 4 HH TYR 4 4.257 -5.092 -0.272
28 H CYS 5 H CYS 5 -0.494 -0.056 4.021
29 HA CYS 5 HA CYS 5 -1.339 0.197 1.236
30 HB2 CYS 5 2HB CYS 5 -0.671 2.508 3.025
31 HB3 CYS 5 1HB CYS 5 -1.839 2.403 1.749
32 H ARG 6 H ARG 6 -0.103 1.084 -0.384
33 HA ARG 6 HA ARG 6 2.653 1.894 0.255
34 HB2 ARG 6 2HB ARG 6 3.552 0.525 -1.553
35 HB3 ARG 6 1HB ARG 6 2.694 -0.505 -0.403
36 HG2 ARG 6 2HG ARG 6 0.912 -0.875 -1.839
37 HG3 ARG 6 1HG ARG 6 1.196 0.607 -2.747
38 HD2 ARG 6 2HD ARG 6 1.835 -1.541 -3.935
39 HD3 ARG 6 1HD ARG 6 3.085 -0.310 -3.864
40 HE ARG 6 HE ARG 6 3.073 -2.402 -1.796
41 HH11 ARG 6 1HH2 ARG 6 4.436 -0.945 -4.623
42 HH12 ARG 6 2HH2 ARG 6 5.947 -1.778 -4.492
43 HH21 ARG 6 1HH1 ARG 6 5.052 -3.500 -1.619
44 HH22 ARG 6 2HH1 ARG 6 6.296 -3.226 -2.791
45 H THR 7 H THR 7 3.616 3.262 -1.315
46 HA THR 7 HA THR 7 1.712 4.925 -2.713
47 HB THR 7 HB THR 7 3.548 6.028 -1.621
48 HG1 THR 7 1HG THR 7 4.075 5.963 -4.405
49 HG21 THR 7 3HG2 THR 7 5.839 5.332 -3.052
50 HG22 THR 7 1HG2 THR 7 5.038 3.792 -2.744
51 HG23 THR 7 2HG2 THR 7 5.458 4.853 -1.399
52 H GLY 8 H GLY 8 1.167 2.807 -3.992
53 HA2 GLY 8 2HA GLY 8 1.370 3.038 -6.614
54 HA3 GLY 8 1HA GLY 8 2.968 2.388 -6.264
55 H ARG 9 H ARG 9 1.975 0.704 -7.782
56 HA ARG 9 HA ARG 9 0.018 -1.094 -6.707
57 HB2 ARG 9 2HB ARG 9 1.731 -0.977 -9.126
58 HB3 ARG 9 1HB ARG 9 1.170 -2.572 -8.623
59 HG2 ARG 9 2HG ARG 9 -1.171 -1.487 -8.448
60 HG3 ARG 9 1HG ARG 9 -0.477 -0.160 -9.383
61 HD2 ARG 9 2HD ARG 9 -0.395 -3.059 -10.229
62 HD3 ARG 9 1HD ARG 9 -1.607 -1.908 -10.784
63 HE ARG 9 HE ARG 9 0.586 -0.609 -11.498
64 HH11 ARG 9 1HH2 ARG 9 -0.146 -3.988 -11.663
65 HH12 ARG 9 2HH2 ARG 9 0.853 -4.277 -13.049
66 HH21 ARG 9 1HH1 ARG 9 1.896 -0.981 -13.315
67 HH22 ARG 9 2HH1 ARG 9 2.009 -2.575 -13.983
68 H CYS 10 H CYS 10 0.415 -3.354 -6.215
69 HA CYS 10 HA CYS 10 2.976 -3.691 -4.777
70 HB2 CYS 10 2HB CYS 10 0.197 -4.666 -4.304
71 HB3 CYS 10 1HB CYS 10 1.537 -5.661 -3.746
72 H ALA 11 H ALA 11 3.002 -6.403 -4.447
73 HA ALA 11 HA ALA 11 3.878 -7.280 -7.067
74 HB1 ALA 11 1HB ALA 11 4.640 -7.846 -4.451
75 HB2 ALA 11 2HB ALA 11 5.207 -8.673 -5.902
76 HB3 ALA 11 3HB ALA 11 3.846 -9.325 -4.991
77 H THR 12 H THR 12 3.237 -9.406 -7.930
78 HA THR 12 HA THR 12 0.457 -9.604 -8.306
79 HB THR 12 HB THR 12 2.460 -11.832 -8.711
80 HG1 THR 12 1HG THR 12 2.582 -10.857 -10.844
81 HG21 THR 12 3HG2 THR 12 0.087 -12.431 -8.971
82 HG22 THR 12 1HG2 THR 12 0.921 -12.463 -10.526
83 HG23 THR 12 2HG2 THR 12 -0.124 -11.103 -10.114
84 H ARG 13 H ARG 13 2.663 -11.438 -6.228
85 HA ARG 13 HA ARG 13 0.843 -13.332 -5.259
86 HB2 ARG 13 2HB ARG 13 3.180 -12.061 -3.805
87 HB3 ARG 13 1HB ARG 13 2.380 -13.566 -3.354
88 HG2 ARG 13 2HG ARG 13 3.594 -13.160 -6.088
89 HG3 ARG 13 1HG ARG 13 4.529 -13.796 -4.735
90 HD2 ARG 13 2HD ARG 13 2.782 -15.578 -4.453
91 HD3 ARG 13 1HD ARG 13 2.011 -14.994 -5.922
92 HE ARG 13 HE ARG 13 4.607 -16.355 -5.760
93 HH11 ARG 13 1HH2 ARG 13 2.097 -14.823 -7.584
94 HH12 ARG 13 2HH2 ARG 13 2.623 -15.461 -9.105
95 HH21 ARG 13 1HH1 ARG 13 5.304 -17.195 -7.750
96 HH22 ARG 13 2HH1 ARG 13 4.439 -16.803 -9.199
97 H GLU 14 H GLU 14 1.306 -9.972 -4.444
98 HA GLU 14 HA GLU 14 -0.166 -10.025 -1.992
99 HB2 GLU 14 2HB GLU 14 0.012 -7.537 -3.622
100 HB3 GLU 14 1HB GLU 14 0.234 -7.773 -1.887
101 HG2 GLU 14 2HG GLU 14 2.300 -9.241 -2.791
102 HG3 GLU 14 1HG GLU 14 2.187 -8.062 -4.090
103 H SER 15 H SER 15 -2.196 -8.715 -1.715
104 HA SER 15 HA SER 15 -3.994 -8.958 -4.044
105 HB2 SER 15 2HB SER 15 -5.761 -9.682 -2.318
106 HB3 SER 15 1HB SER 15 -4.560 -10.845 -2.817
107 HG SER 15 HG SER 15 -3.951 -9.229 -0.654
108 H LEU 16 H LEU 16 -5.305 -7.264 -4.340
109 HA LEU 16 HA LEU 16 -4.969 -4.939 -2.650
110 HB2 LEU 16 2HB LEU 16 -5.606 -5.360 -5.335
111 HB3 LEU 16 1HB LEU 16 -7.088 -4.717 -4.627
112 HG LEU 16 HG LEU 16 -5.650 -2.884 -5.407
113 HD11 LEU 16 1HD1 LEU 16 -6.508 -1.752 -3.661
114 HD12 LEU 16 2HD1 LEU 16 -5.145 -2.279 -2.672
115 HD13 LEU 16 3HD1 LEU 16 -6.620 -3.242 -2.726
116 HD21 LEU 16 3HD2 LEU 16 -3.589 -3.252 -3.350
117 HD22 LEU 16 1HD2 LEU 16 -3.408 -2.834 -5.055
118 HD23 LEU 16 2HD2 LEU 16 -3.576 -4.523 -4.573
119 H SER 17 H SER 17 -6.205 -4.377 -0.988
120 HA SER 17 HA SER 17 -8.767 -5.785 -0.608
121 HB2 SER 17 2HB SER 17 -8.524 -5.340 1.738
122 HB3 SER 17 1HB SER 17 -6.976 -5.949 1.164
123 HG SER 17 HG SER 17 -7.546 -3.190 1.198
124 H GLY 18 H GLY 18 -7.329 -2.672 -1.106
125 HA2 GLY 18 2HA GLY 18 -9.621 -1.349 -1.883
126 HA3 GLY 18 1HA GLY 18 -9.510 -1.090 -0.144
127 H VAL 19 H VAL 19 -9.393 1.173 -1.368
128 HA VAL 19 HA VAL 19 -6.606 1.830 -2.062
129 HB VAL 19 HB VAL 19 -8.478 2.633 -3.516
130 HG11 VAL 19 1HG1 VAL 19 -9.162 4.507 -1.247
131 HG12 VAL 19 2HG1 VAL 19 -10.018 2.983 -1.479
132 HG13 VAL 19 3HG1 VAL 19 -10.063 4.220 -2.735
133 HG21 VAL 19 3HG2 VAL 19 -6.648 4.534 -2.069
134 HG22 VAL 19 1HG2 VAL 19 -7.757 5.140 -3.300
135 HG23 VAL 19 2HG2 VAL 19 -6.539 3.937 -3.725
136 H CYS 20 H CYS 20 -5.304 2.567 -0.525
137 HA CYS 20 HA CYS 20 -6.310 3.379 2.059
138 HB2 CYS 20 2HB CYS 20 -3.640 2.878 0.849
139 HB3 CYS 20 1HB CYS 20 -3.721 3.844 2.324
140 H GLU 21 H GLU 21 -5.038 5.362 3.042
141 HA GLU 21 HA GLU 21 -4.920 7.587 1.130
142 HB2 GLU 21 2HB GLU 21 -6.702 7.498 3.567
143 HB3 GLU 21 1HB GLU 21 -6.277 8.988 2.725
144 HG2 GLU 21 2HG GLU 21 -8.254 8.438 1.638
145 HG3 GLU 21 1HG GLU 21 -7.077 7.640 0.596
146 H ILE 22 H ILE 22 -2.842 8.160 1.414
147 HA ILE 22 HA ILE 22 -1.954 8.741 4.174
148 HB ILE 22 HB ILE 22 -0.324 7.473 1.959
149 HG12 ILE 22 2HG1 ILE 22 -0.937 6.347 4.697
150 HG13 ILE 22 1HG1 ILE 22 -2.019 6.070 3.333
151 HG21 ILE 22 1HG2 ILE 22 1.045 9.022 3.249
152 HG22 ILE 22 2HG2 ILE 22 1.444 7.374 3.733
153 HG23 ILE 22 3HG2 ILE 22 0.415 8.370 4.762
154 HD11 ILE 22 3HD1 ILE 22 0.801 5.593 2.684
155 HD12 ILE 22 1HD1 ILE 22 -0.615 4.585 2.376
156 HD13 ILE 22 2HD1 ILE 22 0.184 4.528 3.949
157 H SER 23 H SER 23 -0.897 10.644 4.467
158 HA SER 23 HA SER 23 -0.171 12.776 4.019
159 HB2 SER 23 2HB SER 23 1.503 12.961 2.440
160 HB3 SER 23 1HB SER 23 1.454 11.211 2.633
161 HG SER 23 HG SER 23 0.561 12.829 0.540
162 H GLY 24 H GLY 24 -2.894 11.850 3.166
163 HA2 GLY 24 2HA GLY 24 -4.725 13.007 2.331
164 HA3 GLY 24 1HA GLY 24 -3.629 14.252 1.740
165 H ARG 25 H ARG 25 -2.493 11.274 0.766
166 HA ARG 25 HA ARG 25 -3.787 11.556 -1.872
167 HB2 ARG 25 2HB ARG 25 -1.397 12.008 -1.975
168 HB3 ARG 25 1HB ARG 25 -1.053 10.479 -1.169
169 HG2 ARG 25 2HG ARG 25 -2.009 9.229 -3.032
170 HG3 ARG 25 1HG ARG 25 -2.492 10.730 -3.825
171 HD2 ARG 25 2HD ARG 25 -0.430 9.961 -4.840
172 HD3 ARG 25 1HD ARG 25 -0.083 11.406 -3.894
173 HE ARG 25 HE ARG 25 1.129 10.083 -2.379
174 HH11 ARG 25 1HH2 ARG 25 -0.566 8.195 -4.735
175 HH12 ARG 25 2HH2 ARG 25 0.265 6.723 -4.355
176 HH21 ARG 25 1HH1 ARG 25 2.222 8.156 -1.879
177 HH22 ARG 25 2HH1 ARG 25 1.842 6.701 -2.739
178 H LEU 26 H LEU 26 -4.311 9.637 -3.025
179 HA LEU 26 HA LEU 26 -5.326 7.551 -1.332
180 HB2 LEU 26 2HB LEU 26 -5.302 8.012 -4.313
181 HB3 LEU 26 1HB LEU 26 -5.935 6.523 -3.608
182 HG LEU 26 HG LEU 26 -6.860 9.242 -2.671
183 HD11 LEU 26 1HD1 LEU 26 -7.743 9.484 -4.756
184 HD12 LEU 26 2HD1 LEU 26 -8.910 8.278 -4.212
185 HD13 LEU 26 3HD1 LEU 26 -7.505 7.783 -5.157
186 HD21 LEU 26 3HD2 LEU 26 -8.211 8.037 -1.314
187 HD22 LEU 26 1HD2 LEU 26 -7.262 6.621 -1.760
188 HD23 LEU 26 2HD2 LEU 26 -8.735 7.009 -2.647
189 H TYR 27 H TYR 27 -4.464 5.626 -0.870
190 HA TYR 27 HA TYR 27 -1.986 4.831 -2.272
191 HB2 TYR 27 2HB TYR 27 -2.705 4.836 0.603
192 HB3 TYR 27 1HB TYR 27 -1.710 3.516 -0.011
193 HD1 TYR 27 1HD TYR 27 -1.943 7.208 -0.634
194 HD2 TYR 27 2HD TYR 27 0.567 3.843 0.282
195 HE1 TYR 27 1HE TYR 27 0.048 8.686 -0.633
196 HE2 TYR 27 2HE TYR 27 2.555 5.327 0.283
197 HH TYR 27 HH TYR 27 3.184 7.553 -0.775
198 H ARG 28 H ARG 28 -1.594 2.496 -2.360
199 HA ARG 28 HA ARG 28 -4.129 1.044 -2.778
200 HB2 ARG 28 2HB ARG 28 -1.308 0.574 -3.778
201 HB3 ARG 28 1HB ARG 28 -2.619 -0.586 -4.007
202 HG2 ARG 28 2HG ARG 28 -3.941 1.123 -5.184
203 HG3 ARG 28 1HG ARG 28 -2.648 2.300 -4.939
204 HD2 ARG 28 2HD ARG 28 -1.111 0.918 -6.254
205 HD3 ARG 28 1HD ARG 28 -2.359 -0.308 -6.457
206 HE ARG 28 HE ARG 28 -3.422 1.082 -8.023
207 HH11 ARG 28 1HH2 ARG 28 -0.784 2.653 -6.429
208 HH12 ARG 28 2HH2 ARG 28 -0.736 3.991 -7.528
209 HH21 ARG 28 1HH1 ARG 28 -3.366 2.832 -9.468
210 HH22 ARG 28 2HH1 ARG 28 -2.198 4.093 -9.248
211 H LEU 29 H LEU 29 -4.712 -0.575 -1.467
212 HA LEU 29 HA LEU 29 -2.815 -1.423 0.618
213 HB2 LEU 29 2HB LEU 29 -4.929 -0.542 1.445
214 HB3 LEU 29 1HB LEU 29 -5.827 -1.683 0.443
215 HG LEU 29 HG LEU 29 -4.889 -3.577 1.668
216 HD11 LEU 29 1HD1 LEU 29 -3.565 -2.786 3.839
217 HD12 LEU 29 2HD1 LEU 29 -3.160 -1.409 2.813
218 HD13 LEU 29 3HD1 LEU 29 -2.728 -3.043 2.309
219 HD21 LEU 29 3HD2 LEU 29 -6.238 -3.329 3.528
220 HD22 LEU 29 1HD2 LEU 29 -6.793 -1.926 2.616
221 HD23 LEU 29 2HD2 LEU 29 -5.608 -1.726 3.906
222 H CYS 30 H CYS 30 -1.658 -3.128 -0.077
223 HA CYS 30 HA CYS 30 -3.094 -5.317 -1.418
224 HB2 CYS 30 2HB CYS 30 -0.916 -6.039 -2.256
225 HB3 CYS 30 1HB CYS 30 -1.258 -4.389 -2.730
226 H CYS 31 H CYS 31 -2.896 -7.459 -0.650
227 HA CYS 31 HA CYS 31 -1.627 -7.687 2.008
228 HB2 CYS 31 2HB CYS 31 -4.061 -9.174 1.048
229 HB3 CYS 31 1HB CYS 31 -3.397 -9.167 2.662
230 H ARG 32 H ARG 32 -0.369 -9.447 2.401
231 HA ARG 32 HA ARG 32 -0.285 -11.631 0.453
232 HB2 ARG 32 2HB ARG 32 2.116 -11.423 0.097
233 HB3 ARG 32 1HB ARG 32 1.305 -9.941 -0.407
234 HG2 ARG 32 2HG ARG 32 1.779 -9.136 2.029
235 HG3 ARG 32 1HG ARG 32 2.973 -10.435 2.046
236 HD2 ARG 32 2HD ARG 32 4.000 -9.501 0.002
237 HD3 ARG 32 1HD ARG 32 2.822 -8.197 0.022
238 HE ARG 32 HE ARG 32 3.843 -7.415 2.099
239 HH11 ARG 32 1HH2 ARG 32 5.523 -9.851 0.297
240 HH12 ARG 32 2HH2 ARG 32 7.058 -9.511 1.011
241 HH21 ARG 32 1HH1 ARG 32 5.860 -6.970 3.042
242 HH22 ARG 32 2HH1 ARG 32 7.253 -7.884 2.565
Start of MODEL 16
1 H1 ALA 1 1HT ALA 1 -3.176 -13.649 5.227
2 H2 ALA 1 2HT ALA 1 -2.230 -13.024 6.493
3 H3 ALA 1 3HT ALA 1 -1.616 -14.257 5.500
4 HA ALA 1 HA ALA 1 -0.742 -12.760 4.151
5 HB1 ALA 1 2HB ALA 1 -3.447 -12.823 3.515
6 HB2 ALA 1 3HB ALA 1 -2.177 -12.079 2.541
7 HB3 ALA 1 1HB ALA 1 -3.105 -11.100 3.678
8 H THR 2 H THR 2 -0.303 -10.364 3.839
9 HA THR 2 HA THR 2 -0.692 -8.905 6.381
10 HB THR 2 HB THR 2 1.743 -8.974 4.578
11 HG1 THR 2 1HG THR 2 2.145 -10.569 5.877
12 HG21 THR 2 3HG2 THR 2 2.180 -6.914 5.369
13 HG22 THR 2 1HG2 THR 2 2.321 -7.633 6.974
14 HG23 THR 2 2HG2 THR 2 0.778 -6.970 6.437
15 H CYS 3 H CYS 3 -2.166 -7.405 5.938
16 HA CYS 3 HA CYS 3 -2.253 -6.093 3.349
17 HB2 CYS 3 2HB CYS 3 -3.932 -5.741 5.850
18 HB3 CYS 3 1HB CYS 3 -4.219 -4.932 4.314
19 H TYR 4 H TYR 4 -1.556 -4.069 2.903
20 HA TYR 4 HA TYR 4 -1.065 -2.106 4.942
21 HB2 TYR 4 2HB TYR 4 1.353 -1.906 4.603
22 HB3 TYR 4 1HB TYR 4 0.944 -3.509 5.217
23 HD1 TYR 4 2HD TYR 4 1.973 -1.585 2.234
24 HD2 TYR 4 1HD TYR 4 1.182 -5.489 3.843
25 HE1 TYR 4 2HE TYR 4 3.042 -2.621 0.250
26 HE2 TYR 4 1HE TYR 4 2.249 -6.524 1.857
27 HH TYR 4 HH TYR 4 4.109 -5.657 0.112
28 H CYS 5 H CYS 5 -0.539 -0.030 4.060
29 HA CYS 5 HA CYS 5 -1.414 0.245 1.291
30 HB2 CYS 5 2HB CYS 5 -0.661 2.515 3.103
31 HB3 CYS 5 1HB CYS 5 -1.819 2.480 1.797
32 H ARG 6 H ARG 6 -0.178 1.064 -0.356
33 HA ARG 6 HA ARG 6 2.611 1.800 0.232
34 HB2 ARG 6 2HB ARG 6 3.407 0.409 -1.624
35 HB3 ARG 6 1HB ARG 6 2.585 -0.584 -0.422
36 HG2 ARG 6 2HG ARG 6 0.851 -1.078 -1.810
37 HG3 ARG 6 1HG ARG 6 0.865 0.510 -2.574
38 HD2 ARG 6 2HD ARG 6 1.590 -1.406 -4.065
39 HD3 ARG 6 1HD ARG 6 2.722 -0.064 -3.960
40 HE ARG 6 HE ARG 6 3.126 -2.358 -2.165
41 HH11 ARG 6 1HH2 ARG 6 4.030 -0.481 -4.931
42 HH12 ARG 6 2HH2 ARG 6 5.614 -1.168 -5.050
43 HH21 ARG 6 1HH1 ARG 6 5.203 -3.261 -2.317
44 HH22 ARG 6 2HH1 ARG 6 6.278 -2.742 -3.571
45 H THR 7 H THR 7 3.637 3.018 -1.484
46 HA THR 7 HA THR 7 1.739 4.769 -2.830
47 HB THR 7 HB THR 7 4.700 5.018 -3.171
48 HG1 THR 7 1HG THR 7 4.962 5.100 -1.106
49 HG21 THR 7 3HG2 THR 7 2.534 7.043 -2.563
50 HG22 THR 7 1HG2 THR 7 3.021 6.587 -4.194
51 HG23 THR 7 2HG2 THR 7 4.176 7.376 -3.118
52 H GLY 8 H GLY 8 1.018 2.917 -4.225
53 HA2 GLY 8 2HA GLY 8 1.243 3.001 -6.779
54 HA3 GLY 8 1HA GLY 8 2.871 2.405 -6.467
55 H ARG 9 H ARG 9 1.916 0.663 -7.954
56 HA ARG 9 HA ARG 9 0.007 -1.173 -6.900
57 HB2 ARG 9 2HB ARG 9 0.457 -0.930 -9.316
58 HB3 ARG 9 1HB ARG 9 2.071 -1.595 -9.062
59 HG2 ARG 9 2HG ARG 9 1.206 -3.700 -8.364
60 HG3 ARG 9 1HG ARG 9 -0.431 -3.059 -8.222
61 HD2 ARG 9 2HD ARG 9 -0.276 -4.326 -10.285
62 HD3 ARG 9 1HD ARG 9 -0.418 -2.615 -10.673
63 HE ARG 9 HE ARG 9 2.322 -3.427 -10.510
64 HH11 ARG 9 1HH2 ARG 9 -0.527 -3.483 -12.478
65 HH12 ARG 9 2HH2 ARG 9 0.344 -3.589 -13.972
66 HH21 ARG 9 1HH1 ARG 9 3.464 -3.568 -12.465
67 HH22 ARG 9 2HH1 ARG 9 2.602 -3.636 -13.965
68 H CYS 10 H CYS 10 0.423 -3.358 -6.239
69 HA CYS 10 HA CYS 10 2.951 -3.599 -4.738
70 HB2 CYS 10 2HB CYS 10 0.173 -4.603 -4.313
71 HB3 CYS 10 1HB CYS 10 1.514 -5.548 -3.668
72 H ALA 11 H ALA 11 3.031 -6.284 -4.290
73 HA ALA 11 HA ALA 11 4.006 -7.258 -6.832
74 HB1 ALA 11 1HB ALA 11 3.949 -9.276 -4.774
75 HB2 ALA 11 2HB ALA 11 4.573 -7.762 -4.119
76 HB3 ALA 11 3HB ALA 11 5.342 -8.495 -5.528
77 H THR 12 H THR 12 3.416 -9.384 -7.683
78 HA THR 12 HA THR 12 0.656 -9.613 -8.159
79 HB THR 12 HB THR 12 2.852 -11.667 -8.507
80 HG1 THR 12 1HG THR 12 3.333 -10.137 -9.899
81 HG21 THR 12 3HG2 THR 12 0.847 -12.901 -8.591
82 HG22 THR 12 1HG2 THR 12 1.154 -12.495 -10.280
83 HG23 THR 12 2HG2 THR 12 -0.037 -11.580 -9.356
84 H ARG 13 H ARG 13 2.786 -11.412 -5.970
85 HA ARG 13 HA ARG 13 0.933 -13.300 -5.055
86 HB2 ARG 13 2HB ARG 13 3.239 -11.999 -3.578
87 HB3 ARG 13 1HB ARG 13 2.390 -13.453 -3.050
88 HG2 ARG 13 2HG ARG 13 3.556 -13.327 -5.817
89 HG3 ARG 13 1HG ARG 13 4.596 -13.701 -4.444
90 HD2 ARG 13 2HD ARG 13 2.018 -15.180 -5.033
91 HD3 ARG 13 1HD ARG 13 3.597 -15.723 -5.590
92 HE ARG 13 HE ARG 13 3.544 -15.229 -2.757
93 HH11 ARG 13 1HH2 ARG 13 2.760 -17.456 -5.286
94 HH12 ARG 13 2HH2 ARG 13 2.863 -18.856 -4.272
95 HH21 ARG 13 1HH1 ARG 13 3.678 -17.060 -1.421
96 HH22 ARG 13 2HH1 ARG 13 3.382 -18.634 -2.084
97 H GLU 14 H GLU 14 1.373 -9.929 -4.249
98 HA GLU 14 HA GLU 14 -0.202 -9.957 -1.861
99 HB2 GLU 14 2HB GLU 14 0.046 -7.478 -3.503
100 HB3 GLU 14 1HB GLU 14 0.200 -7.702 -1.761
101 HG2 GLU 14 2HG GLU 14 2.305 -9.141 -2.474
102 HG3 GLU 14 1HG GLU 14 2.227 -8.111 -3.901
103 H SER 15 H SER 15 -2.245 -8.662 -1.673
104 HA SER 15 HA SER 15 -3.943 -8.885 -4.076
105 HB2 SER 15 2HB SER 15 -5.772 -9.672 -2.467
106 HB3 SER 15 1HB SER 15 -4.518 -10.808 -2.914
107 HG SER 15 HG SER 15 -4.967 -9.504 -0.497
108 H LEU 16 H LEU 16 -5.233 -7.202 -4.399
109 HA LEU 16 HA LEU 16 -5.013 -4.902 -2.676
110 HB2 LEU 16 2HB LEU 16 -5.664 -5.332 -5.372
111 HB3 LEU 16 1HB LEU 16 -7.129 -4.680 -4.639
112 HG LEU 16 HG LEU 16 -5.672 -2.861 -5.449
113 HD11 LEU 16 1HD1 LEU 16 -6.658 -3.195 -2.769
114 HD12 LEU 16 2HD1 LEU 16 -6.528 -1.711 -3.712
115 HD13 LEU 16 3HD1 LEU 16 -5.175 -2.241 -2.715
116 HD21 LEU 16 3HD2 LEU 16 -3.620 -4.521 -4.543
117 HD22 LEU 16 1HD2 LEU 16 -3.617 -3.182 -3.396
118 HD23 LEU 16 2HD2 LEU 16 -3.432 -2.865 -5.120
119 H SER 17 H SER 17 -6.279 -4.384 -1.016
120 HA SER 17 HA SER 17 -8.813 -5.858 -0.684
121 HB2 SER 17 2HB SER 17 -8.582 -5.507 1.671
122 HB3 SER 17 1HB SER 17 -7.006 -6.029 1.088
123 HG SER 17 HG SER 17 -7.696 -3.300 1.221
124 H GLY 18 H GLY 18 -7.397 -2.691 -0.989
125 HA2 GLY 18 2HA GLY 18 -9.755 -1.393 -1.726
126 HA3 GLY 18 1HA GLY 18 -9.562 -1.154 0.009
127 H VAL 19 H VAL 19 -9.518 1.124 -1.196
128 HA VAL 19 HA VAL 19 -6.773 1.809 -2.015
129 HB VAL 19 HB VAL 19 -8.345 2.763 -3.494
130 HG11 VAL 19 1HG1 VAL 19 -9.962 3.118 -0.996
131 HG12 VAL 19 2HG1 VAL 19 -10.456 2.497 -2.572
132 HG13 VAL 19 3HG1 VAL 19 -10.241 4.231 -2.335
133 HG21 VAL 19 3HG2 VAL 19 -7.819 5.008 -3.329
134 HG22 VAL 19 1HG2 VAL 19 -6.688 4.370 -2.135
135 HG23 VAL 19 2HG2 VAL 19 -8.215 5.080 -1.611
136 H CYS 20 H CYS 20 -5.399 2.570 -0.560
137 HA CYS 20 HA CYS 20 -6.289 3.368 2.080
138 HB2 CYS 20 2HB CYS 20 -3.660 2.869 0.758
139 HB3 CYS 20 1HB CYS 20 -3.705 3.794 2.258
140 H GLU 21 H GLU 21 -4.846 5.334 2.964
141 HA GLU 21 HA GLU 21 -4.765 7.557 1.075
142 HB2 GLU 21 2HB GLU 21 -6.624 7.487 3.459
143 HB3 GLU 21 1HB GLU 21 -6.191 8.964 2.596
144 HG2 GLU 21 2HG GLU 21 -7.074 8.010 0.502
145 HG3 GLU 21 1HG GLU 21 -7.500 6.526 1.353
146 H ILE 22 H ILE 22 -2.708 8.145 1.426
147 HA ILE 22 HA ILE 22 -1.914 8.738 4.213
148 HB ILE 22 HB ILE 22 -0.215 7.455 2.063
149 HG12 ILE 22 2HG1 ILE 22 -0.864 6.332 4.787
150 HG13 ILE 22 1HG1 ILE 22 -1.971 6.089 3.437
151 HG21 ILE 22 1HG2 ILE 22 0.431 8.961 4.492
152 HG22 ILE 22 2HG2 ILE 22 1.488 8.456 3.173
153 HG23 ILE 22 3HG2 ILE 22 1.126 7.341 4.492
154 HD11 ILE 22 3HD1 ILE 22 -0.619 4.576 2.462
155 HD12 ILE 22 1HD1 ILE 22 0.220 4.506 4.012
156 HD13 ILE 22 2HD1 ILE 22 0.819 5.559 2.730
157 H SER 23 H SER 23 -1.002 10.691 4.531
158 HA SER 23 HA SER 23 -0.238 12.813 4.093
159 HB2 SER 23 2HB SER 23 1.512 12.998 2.591
160 HB3 SER 23 1HB SER 23 1.487 11.256 2.843
161 HG SER 23 HG SER 23 0.436 11.005 0.928
162 H GLY 24 H GLY 24 -2.907 11.895 3.147
163 HA2 GLY 24 2HA GLY 24 -4.690 13.041 2.199
164 HA3 GLY 24 1HA GLY 24 -3.555 14.246 1.597
165 H ARG 25 H ARG 25 -2.281 11.357 0.728
166 HA ARG 25 HA ARG 25 -3.494 11.492 -1.950
167 HB2 ARG 25 2HB ARG 25 -1.135 11.883 -2.031
168 HB3 ARG 25 1HB ARG 25 -0.815 10.480 -1.016
169 HG2 ARG 25 2HG ARG 25 -1.720 8.995 -2.765
170 HG3 ARG 25 1HG ARG 25 -2.068 10.398 -3.777
171 HD2 ARG 25 2HD ARG 25 0.693 9.691 -2.769
172 HD3 ARG 25 1HD ARG 25 0.081 9.223 -4.351
173 HE ARG 25 HE ARG 25 -0.245 12.007 -4.043
174 HH11 ARG 25 1HH2 ARG 25 2.212 9.587 -4.352
175 HH12 ARG 25 2HH2 ARG 25 3.349 10.646 -5.118
176 HH21 ARG 25 1HH1 ARG 25 1.243 13.398 -5.045
177 HH22 ARG 25 2HH1 ARG 25 2.802 12.803 -5.511
178 H LEU 26 H LEU 26 -4.358 9.707 -2.913
179 HA LEU 26 HA LEU 26 -5.294 7.618 -1.207
180 HB2 LEU 26 2HB LEU 26 -6.466 6.819 -3.095
181 HB3 LEU 26 1HB LEU 26 -6.409 8.565 -3.323
182 HG LEU 26 HG LEU 26 -4.148 7.999 -4.586
183 HD11 LEU 26 1HD1 LEU 26 -5.023 5.427 -3.944
184 HD12 LEU 26 2HD1 LEU 26 -3.802 5.837 -5.149
185 HD13 LEU 26 3HD1 LEU 26 -5.484 5.622 -5.635
186 HD21 LEU 26 3HD2 LEU 26 -6.915 7.535 -5.744
187 HD22 LEU 26 1HD2 LEU 26 -5.462 7.844 -6.694
188 HD23 LEU 26 2HD2 LEU 26 -6.088 9.087 -5.612
189 H TYR 27 H TYR 27 -4.357 5.758 -0.691
190 HA TYR 27 HA TYR 27 -1.992 4.872 -2.223
191 HB2 TYR 27 2HB TYR 27 -2.651 4.833 0.665
192 HB3 TYR 27 1HB TYR 27 -1.700 3.509 -0.002
193 HD1 TYR 27 2HD TYR 27 -1.838 7.194 -0.688
194 HD2 TYR 27 1HD TYR 27 0.567 3.806 0.397
195 HE1 TYR 27 2HE TYR 27 0.191 8.621 -0.698
196 HE2 TYR 27 1HE TYR 27 2.593 5.239 0.382
197 HH TYR 27 HH TYR 27 3.111 7.689 0.656
198 H ARG 28 H ARG 28 -1.648 2.491 -2.238
199 HA ARG 28 HA ARG 28 -4.236 1.136 -2.691
200 HB2 ARG 28 2HB ARG 28 -1.438 0.502 -3.685
201 HB3 ARG 28 1HB ARG 28 -2.860 -0.493 -4.006
202 HG2 ARG 28 2HG ARG 28 -3.954 1.400 -5.124
203 HG3 ARG 28 1HG ARG 28 -2.564 2.426 -4.770
204 HD2 ARG 28 2HD ARG 28 -2.412 1.594 -7.065
205 HD3 ARG 28 1HD ARG 28 -1.121 0.901 -6.088
206 HE ARG 28 HE ARG 28 -2.158 -1.197 -6.265
207 HH11 ARG 28 1HH2 ARG 28 -4.114 1.358 -7.540
208 HH12 ARG 28 2HH2 ARG 28 -5.238 0.293 -8.318
209 HH21 ARG 28 1HH1 ARG 28 -3.629 -2.598 -7.281
210 HH22 ARG 28 2HH1 ARG 28 -4.965 -1.945 -8.171
211 H LEU 29 H LEU 29 -4.829 -0.562 -1.465
212 HA LEU 29 HA LEU 29 -2.971 -1.425 0.650
213 HB2 LEU 29 2HB LEU 29 -5.135 -0.572 1.415
214 HB3 LEU 29 1HB LEU 29 -5.972 -1.746 0.400
215 HG LEU 29 HG LEU 29 -5.010 -3.599 1.668
216 HD11 LEU 29 1HD1 LEU 29 -3.434 -1.359 2.921
217 HD12 LEU 29 2HD1 LEU 29 -2.863 -2.911 2.304
218 HD13 LEU 29 3HD1 LEU 29 -3.738 -2.838 3.833
219 HD21 LEU 29 3HD2 LEU 29 -6.989 -2.008 2.550
220 HD22 LEU 29 1HD2 LEU 29 -5.842 -1.748 3.865
221 HD23 LEU 29 2HD2 LEU 29 -6.408 -3.376 3.498
222 H CYS 30 H CYS 30 -1.774 -3.096 -0.066
223 HA CYS 30 HA CYS 30 -3.167 -5.282 -1.466
224 HB2 CYS 30 2HB CYS 30 -0.918 -5.979 -2.220
225 HB3 CYS 30 1HB CYS 30 -1.339 -4.368 -2.766
226 H CYS 31 H CYS 31 -2.936 -7.453 -0.721
227 HA CYS 31 HA CYS 31 -1.678 -7.688 1.940
228 HB2 CYS 31 2HB CYS 31 -4.138 -9.130 0.961
229 HB3 CYS 31 1HB CYS 31 -3.448 -9.195 2.572
230 H ARG 32 H ARG 32 -0.225 -9.282 2.159
231 HA ARG 32 HA ARG 32 -0.202 -11.461 0.179
232 HB2 ARG 32 2HB ARG 32 2.199 -11.285 -0.068
233 HB3 ARG 32 1HB ARG 32 1.453 -9.737 -0.476
234 HG2 ARG 32 2HG ARG 32 1.836 -9.324 2.147
235 HG3 ARG 32 1HG ARG 32 3.149 -10.465 1.859
236 HD2 ARG 32 2HD ARG 32 2.655 -7.987 0.207
237 HD3 ARG 32 1HD ARG 32 3.813 -8.071 1.531
238 HE ARG 32 HE ARG 32 4.102 -9.263 -1.110
239 HH11 ARG 32 1HH2 ARG 32 5.113 -9.147 2.198
240 HH12 ARG 32 2HH2 ARG 32 6.668 -9.847 1.891
241 HH21 ARG 32 1HH1 ARG 32 6.139 -10.182 -1.519
242 HH22 ARG 32 2HH1 ARG 32 7.248 -10.432 -0.214
Start of MODEL 17
1 H1 ALA 1 1HT ALA 1 -1.251 -13.898 5.955
2 H2 ALA 1 2HT ALA 1 -2.340 -14.223 4.692
3 H3 ALA 1 3HT ALA 1 -2.717 -13.049 5.863
4 HA ALA 1 HA ALA 1 -0.338 -12.806 4.126
5 HB1 ALA 1 2HB ALA 1 -3.110 -11.683 3.612
6 HB2 ALA 1 3HB ALA 1 -2.390 -13.025 2.723
7 HB3 ALA 1 1HB ALA 1 -1.675 -11.414 2.623
8 H THR 2 H THR 2 -0.020 -10.333 3.837
9 HA THR 2 HA THR 2 -0.591 -8.982 6.401
10 HB THR 2 HB THR 2 1.921 -8.866 4.710
11 HG1 THR 2 1HG THR 2 1.919 -10.641 6.018
12 HG21 THR 2 3HG2 THR 2 2.303 -7.561 7.168
13 HG22 THR 2 1HG2 THR 2 0.760 -6.962 6.559
14 HG23 THR 2 2HG2 THR 2 2.214 -6.811 5.574
15 H CYS 3 H CYS 3 -2.033 -7.444 6.020
16 HA CYS 3 HA CYS 3 -2.202 -6.133 3.436
17 HB2 CYS 3 2HB CYS 3 -3.805 -5.799 5.989
18 HB3 CYS 3 1HB CYS 3 -4.133 -4.951 4.484
19 H TYR 4 H TYR 4 -1.524 -4.115 2.955
20 HA TYR 4 HA TYR 4 -0.981 -2.124 4.944
21 HB2 TYR 4 2HB TYR 4 1.435 -1.948 4.583
22 HB3 TYR 4 1HB TYR 4 1.023 -3.533 5.236
23 HD1 TYR 4 1HD TYR 4 1.905 -1.689 2.136
24 HD2 TYR 4 2HD TYR 4 1.369 -5.537 3.969
25 HE1 TYR 4 1HE TYR 4 2.951 -2.774 0.166
26 HE2 TYR 4 2HE TYR 4 2.415 -6.621 1.999
27 HH TYR 4 HH TYR 4 3.859 -6.110 0.171
28 H CYS 5 H CYS 5 -0.574 -0.075 4.035
29 HA CYS 5 HA CYS 5 -1.341 0.120 1.223
30 HB2 CYS 5 2HB CYS 5 -0.818 2.478 3.002
31 HB3 CYS 5 1HB CYS 5 -1.937 2.309 1.689
32 H ARG 6 H ARG 6 -0.054 0.920 -0.379
33 HA ARG 6 HA ARG 6 2.609 1.940 0.336
34 HB2 ARG 6 2HB ARG 6 3.774 0.452 -1.046
35 HB3 ARG 6 1HB ARG 6 2.585 -0.590 -0.258
36 HG2 ARG 6 2HG ARG 6 1.170 -0.614 -2.174
37 HG3 ARG 6 1HG ARG 6 2.052 0.706 -2.943
38 HD2 ARG 6 2HD ARG 6 3.277 -1.973 -2.322
39 HD3 ARG 6 1HD ARG 6 2.613 -1.521 -3.890
40 HE ARG 6 HE ARG 6 5.103 -0.583 -2.704
41 HH11 ARG 6 1HH2 ARG 6 2.623 -0.159 -5.078
42 HH12 ARG 6 2HH2 ARG 6 3.610 0.787 -6.141
43 HH21 ARG 6 1HH1 ARG 6 6.402 0.660 -4.092
44 HH22 ARG 6 2HH1 ARG 6 5.748 1.252 -5.583
45 H THR 7 H THR 7 3.566 3.267 -1.275
46 HA THR 7 HA THR 7 1.650 4.735 -2.843
47 HB THR 7 HB THR 7 3.235 6.216 -2.137
48 HG1 THR 7 1HG THR 7 3.408 5.744 -4.574
49 HG21 THR 7 3HG2 THR 7 4.605 4.812 -0.834
50 HG22 THR 7 1HG2 THR 7 5.719 5.482 -2.027
51 HG23 THR 7 2HG2 THR 7 5.091 3.846 -2.228
52 H GLY 8 H GLY 8 0.928 3.031 -4.268
53 HA2 GLY 8 2HA GLY 8 1.300 2.968 -6.790
54 HA3 GLY 8 1HA GLY 8 2.875 2.301 -6.369
55 H ARG 9 H ARG 9 2.011 0.521 -7.788
56 HA ARG 9 HA ARG 9 -0.033 -1.193 -6.677
57 HB2 ARG 9 2HB ARG 9 0.154 -1.069 -9.076
58 HB3 ARG 9 1HB ARG 9 1.852 -1.543 -9.007
59 HG2 ARG 9 2HG ARG 9 1.286 -3.724 -8.177
60 HG3 ARG 9 1HG ARG 9 -0.401 -3.270 -7.961
61 HD2 ARG 9 2HD ARG 9 -0.673 -2.996 -10.358
62 HD3 ARG 9 1HD ARG 9 1.035 -3.325 -10.624
63 HE ARG 9 HE ARG 9 -0.042 -5.518 -9.253
64 HH11 ARG 9 1HH2 ARG 9 -0.361 -3.871 -12.279
65 HH12 ARG 9 2HH2 ARG 9 -0.820 -5.290 -13.160
66 HH21 ARG 9 1HH1 ARG 9 -0.644 -7.382 -10.400
67 HH22 ARG 9 2HH1 ARG 9 -0.980 -7.278 -12.097
68 H CYS 10 H CYS 10 0.368 -3.441 -6.127
69 HA CYS 10 HA CYS 10 2.952 -3.756 -4.728
70 HB2 CYS 10 2HB CYS 10 0.177 -4.692 -4.200
71 HB3 CYS 10 1HB CYS 10 1.496 -5.737 -3.691
72 H ALA 11 H ALA 11 2.898 -6.504 -4.367
73 HA ALA 11 HA ALA 11 3.769 -7.395 -6.993
74 HB1 ALA 11 1HB ALA 11 3.857 -9.491 -5.051
75 HB2 ALA 11 2HB ALA 11 4.436 -8.007 -4.296
76 HB3 ALA 11 3HB ALA 11 5.201 -8.604 -5.768
77 H THR 12 H THR 12 3.116 -9.517 -7.833
78 HA THR 12 HA THR 12 0.335 -9.733 -8.155
79 HB THR 12 HB THR 12 2.609 -11.623 -8.727
80 HG1 THR 12 1HG THR 12 0.788 -10.238 -10.397
81 HG21 THR 12 3HG2 THR 12 0.514 -12.601 -10.173
82 HG22 THR 12 1HG2 THR 12 -0.298 -12.133 -8.680
83 HG23 THR 12 2HG2 THR 12 1.047 -13.272 -8.631
84 H ARG 13 H ARG 13 2.582 -11.502 -6.067
85 HA ARG 13 HA ARG 13 0.804 -13.408 -5.047
86 HB2 ARG 13 2HB ARG 13 3.160 -12.043 -3.717
87 HB3 ARG 13 1HB ARG 13 2.345 -13.473 -3.083
88 HG2 ARG 13 2HG ARG 13 3.427 -13.426 -5.894
89 HG3 ARG 13 1HG ARG 13 4.463 -13.842 -4.528
90 HD2 ARG 13 2HD ARG 13 2.851 -15.614 -3.877
91 HD3 ARG 13 1HD ARG 13 1.875 -15.230 -5.287
92 HE ARG 13 HE ARG 13 4.674 -15.965 -5.743
93 HH11 ARG 13 1HH2 ARG 13 1.304 -16.744 -5.796
94 HH12 ARG 13 2HH2 ARG 13 1.491 -18.089 -6.869
95 HH21 ARG 13 1HH1 ARG 13 4.928 -17.729 -7.150
96 HH22 ARG 13 2HH1 ARG 13 3.541 -18.648 -7.637
97 H GLU 14 H GLU 14 1.246 -10.022 -4.271
98 HA GLU 14 HA GLU 14 -0.252 -10.048 -1.838
99 HB2 GLU 14 2HB GLU 14 -0.093 -7.589 -3.513
100 HB3 GLU 14 1HB GLU 14 0.119 -7.787 -1.773
101 HG2 GLU 14 2HG GLU 14 2.210 -9.254 -2.647
102 HG3 GLU 14 1HG GLU 14 2.093 -8.088 -3.960
103 H SER 15 H SER 15 -2.278 -8.647 -1.645
104 HA SER 15 HA SER 15 -4.060 -8.988 -3.969
105 HB2 SER 15 2HB SER 15 -5.840 -9.667 -2.223
106 HB3 SER 15 1HB SER 15 -4.655 -10.846 -2.713
107 HG SER 15 HG SER 15 -5.145 -9.974 -0.290
108 H LEU 16 H LEU 16 -5.374 -7.304 -4.317
109 HA LEU 16 HA LEU 16 -5.064 -4.946 -2.681
110 HB2 LEU 16 2HB LEU 16 -5.858 -5.515 -5.360
111 HB3 LEU 16 1HB LEU 16 -7.165 -4.617 -4.586
112 HG LEU 16 HG LEU 16 -5.416 -3.158 -5.671
113 HD11 LEU 16 1HD1 LEU 16 -6.615 -1.967 -4.085
114 HD12 LEU 16 2HD1 LEU 16 -5.001 -1.872 -3.378
115 HD13 LEU 16 3HD1 LEU 16 -6.163 -3.053 -2.772
116 HD21 LEU 16 3HD2 LEU 16 -3.663 -4.923 -4.406
117 HD22 LEU 16 1HD2 LEU 16 -3.541 -3.447 -3.443
118 HD23 LEU 16 2HD2 LEU 16 -3.218 -3.400 -5.178
119 H SER 17 H SER 17 -6.256 -4.423 -0.983
120 HA SER 17 HA SER 17 -8.827 -5.807 -0.594
121 HB2 SER 17 2HB SER 17 -8.571 -5.364 1.742
122 HB3 SER 17 1HB SER 17 -7.010 -5.935 1.168
123 HG SER 17 HG SER 17 -7.639 -3.603 2.310
124 H GLY 18 H GLY 18 -7.402 -2.706 -1.158
125 HA2 GLY 18 2HA GLY 18 -9.696 -1.393 -1.932
126 HA3 GLY 18 1HA GLY 18 -9.579 -1.112 -0.198
127 H VAL 19 H VAL 19 -9.470 1.134 -1.455
128 HA VAL 19 HA VAL 19 -6.686 1.787 -2.152
129 HB VAL 19 HB VAL 19 -8.175 2.714 -3.731
130 HG11 VAL 19 1HG1 VAL 19 -9.897 3.231 -1.322
131 HG12 VAL 19 2HG1 VAL 19 -10.319 2.439 -2.840
132 HG13 VAL 19 3HG1 VAL 19 -10.129 4.191 -2.784
133 HG21 VAL 19 3HG2 VAL 19 -8.141 5.096 -1.949
134 HG22 VAL 19 1HG2 VAL 19 -7.588 4.928 -3.616
135 HG23 VAL 19 2HG2 VAL 19 -6.584 4.342 -2.289
136 H CYS 20 H CYS 20 -5.389 2.493 -0.596
137 HA CYS 20 HA CYS 20 -6.413 3.382 1.953
138 HB2 CYS 20 2HB CYS 20 -3.719 2.854 0.789
139 HB3 CYS 20 1HB CYS 20 -3.831 3.825 2.260
140 H GLU 21 H GLU 21 -4.724 5.343 2.758
141 HA GLU 21 HA GLU 21 -4.578 7.519 0.876
142 HB2 GLU 21 2HB GLU 21 -6.141 8.965 2.313
143 HB3 GLU 21 1HB GLU 21 -6.895 7.803 1.221
144 HG2 GLU 21 2HG GLU 21 -7.127 6.197 3.074
145 HG3 GLU 21 1HG GLU 21 -6.355 7.343 4.168
146 H ILE 22 H ILE 22 -2.673 8.345 1.435
147 HA ILE 22 HA ILE 22 -2.125 8.791 4.309
148 HB ILE 22 HB ILE 22 0.051 8.171 2.333
149 HG12 ILE 22 2HG1 ILE 22 -1.719 6.340 2.349
150 HG13 ILE 22 1HG1 ILE 22 -0.109 5.826 2.848
151 HG21 ILE 22 1HG2 ILE 22 1.113 7.345 4.477
152 HG22 ILE 22 2HG2 ILE 22 -0.281 8.003 5.336
153 HG23 ILE 22 3HG2 ILE 22 0.791 9.078 4.436
154 HD11 ILE 22 3HD1 ILE 22 -0.738 6.023 5.198
155 HD12 ILE 22 1HD1 ILE 22 -1.886 4.975 4.364
156 HD13 ILE 22 2HD1 ILE 22 -2.326 6.638 4.747
157 H SER 23 H SER 23 -1.419 10.779 4.845
158 HA SER 23 HA SER 23 -0.937 13.018 4.635
159 HB2 SER 23 2HB SER 23 0.616 13.471 2.545
160 HB3 SER 23 1HB SER 23 1.224 12.584 3.938
161 HG SER 23 HG SER 23 0.817 11.757 1.386
162 H GLY 24 H GLY 24 -3.281 11.774 3.172
163 HA2 GLY 24 2HA GLY 24 -5.076 12.909 2.150
164 HA3 GLY 24 1HA GLY 24 -3.954 14.155 1.612
165 H ARG 25 H ARG 25 -2.110 11.897 0.701
166 HA ARG 25 HA ARG 25 -3.116 11.760 -1.999
167 HB2 ARG 25 2HB ARG 25 -0.723 12.101 -1.558
168 HB3 ARG 25 1HB ARG 25 -0.655 10.529 -0.782
169 HG2 ARG 25 2HG ARG 25 -1.370 9.447 -2.881
170 HG3 ARG 25 1HG ARG 25 -1.435 11.025 -3.665
171 HD2 ARG 25 2HD ARG 25 1.054 9.857 -2.395
172 HD3 ARG 25 1HD ARG 25 0.691 9.777 -4.116
173 HE ARG 25 HE ARG 25 1.548 12.126 -2.631
174 HH11 ARG 25 1HH2 ARG 25 0.063 10.817 -5.469
175 HH12 ARG 25 2HH2 ARG 25 0.396 12.205 -6.451
176 HH21 ARG 25 1HH1 ARG 25 1.989 13.950 -3.913
177 HH22 ARG 25 2HH1 ARG 25 1.486 13.978 -5.570
178 H LEU 26 H LEU 26 -3.563 9.859 -3.175
179 HA LEU 26 HA LEU 26 -4.956 7.865 -1.643
180 HB2 LEU 26 2HB LEU 26 -4.491 8.391 -4.561
181 HB3 LEU 26 1HB LEU 26 -5.108 6.818 -4.053
182 HG LEU 26 HG LEU 26 -6.864 8.602 -4.610
183 HD11 LEU 26 1HD1 LEU 26 -7.806 8.055 -2.038
184 HD12 LEU 26 2HD1 LEU 26 -6.686 6.736 -2.375
185 HD13 LEU 26 3HD1 LEU 26 -8.035 7.047 -3.466
186 HD21 LEU 26 3HD2 LEU 26 -5.476 10.352 -3.281
187 HD22 LEU 26 1HD2 LEU 26 -6.218 9.638 -1.850
188 HD23 LEU 26 2HD2 LEU 26 -7.229 10.374 -3.091
189 H TYR 27 H TYR 27 -4.405 5.782 -1.232
190 HA TYR 27 HA TYR 27 -1.788 4.828 -2.208
191 HB2 TYR 27 2HB TYR 27 -2.746 5.081 0.589
192 HB3 TYR 27 1HB TYR 27 -1.780 3.676 0.159
193 HD1 TYR 27 2HD TYR 27 -1.819 7.397 -0.139
194 HD2 TYR 27 1HD TYR 27 0.550 3.823 0.039
195 HE1 TYR 27 2HE TYR 27 0.251 8.762 -0.056
196 HE2 TYR 27 1HE TYR 27 2.618 5.192 0.112
197 HH TYR 27 HH TYR 27 3.466 7.238 0.062
198 H ARG 28 H ARG 28 -1.578 2.550 -2.384
199 HA ARG 28 HA ARG 28 -4.176 1.195 -2.710
200 HB2 ARG 28 2HB ARG 28 -1.411 0.608 -3.802
201 HB3 ARG 28 1HB ARG 28 -2.790 -0.473 -4.011
202 HG2 ARG 28 2HG ARG 28 -4.045 1.307 -5.140
203 HG3 ARG 28 1HG ARG 28 -2.707 2.430 -4.889
204 HD2 ARG 28 2HD ARG 28 -1.239 1.007 -6.252
205 HD3 ARG 28 1HD ARG 28 -2.550 -0.148 -6.479
206 HE ARG 28 HE ARG 28 -3.547 1.334 -7.999
207 HH11 ARG 28 1HH2 ARG 28 -0.848 2.746 -6.357
208 HH12 ARG 28 2HH2 ARG 28 -0.750 4.118 -7.408
209 HH21 ARG 28 1HH1 ARG 28 -3.425 3.132 -9.382
210 HH22 ARG 28 2HH1 ARG 28 -2.208 4.338 -9.122
211 H LEU 29 H LEU 29 -4.744 -0.523 -1.501
212 HA LEU 29 HA LEU 29 -2.858 -1.386 0.581
213 HB2 LEU 29 2HB LEU 29 -5.003 -0.545 1.401
214 HB3 LEU 29 1HB LEU 29 -5.864 -1.693 0.383
215 HG LEU 29 HG LEU 29 -4.920 -3.573 1.603
216 HD11 LEU 29 1HD1 LEU 29 -2.762 -3.052 2.253
217 HD12 LEU 29 2HD1 LEU 29 -3.593 -2.762 3.780
218 HD13 LEU 29 3HD1 LEU 29 -3.184 -1.407 2.732
219 HD21 LEU 29 3HD2 LEU 29 -6.825 -1.942 2.575
220 HD22 LEU 29 1HD2 LEU 29 -5.634 -1.747 3.861
221 HD23 LEU 29 2HD2 LEU 29 -6.257 -3.350 3.473
222 H CYS 30 H CYS 30 -1.728 -3.146 0.065
223 HA CYS 30 HA CYS 30 -3.114 -5.302 -1.387
224 HB2 CYS 30 2HB CYS 30 -0.958 -5.974 -2.275
225 HB3 CYS 30 1HB CYS 30 -1.254 -4.283 -2.650
226 H CYS 31 H CYS 31 -2.929 -7.429 -0.626
227 HA CYS 31 HA CYS 31 -1.609 -7.692 2.010
228 HB2 CYS 31 2HB CYS 31 -4.099 -9.116 1.086
229 HB3 CYS 31 1HB CYS 31 -3.378 -9.188 2.673
230 H ARG 32 H ARG 32 -0.166 -9.292 2.204
231 HA ARG 32 HA ARG 32 -0.206 -11.494 0.243
232 HB2 ARG 32 2HB ARG 32 2.169 -11.305 -0.141
233 HB3 ARG 32 1HB ARG 32 1.424 -9.745 -0.488
234 HG2 ARG 32 2HG ARG 32 1.950 -9.341 2.101
235 HG3 ARG 32 1HG ARG 32 3.208 -10.534 1.771
236 HD2 ARG 32 2HD ARG 32 3.972 -9.159 -0.152
237 HD3 ARG 32 1HD ARG 32 2.756 -7.950 0.259
238 HE ARG 32 HE ARG 32 4.152 -8.216 2.578
239 HH11 ARG 32 1HH2 ARG 32 5.036 -7.719 -0.731
240 HH12 ARG 32 2HH2 ARG 32 6.466 -6.816 -0.358
241 HH21 ARG 32 1HH1 ARG 32 6.028 -7.034 3.075
242 HH22 ARG 32 2HH1 ARG 32 7.027 -6.429 1.797
Start of MODEL 18
1 H1 ALA 1 1HT ALA 1 -2.749 -13.061 6.514
2 H2 ALA 1 2HT ALA 1 -1.300 -13.942 6.427
3 H3 ALA 1 3HT ALA 1 -2.560 -14.266 5.336
4 HA ALA 1 HA ALA 1 -0.597 -12.888 4.503
5 HB1 ALA 1 2HB ALA 1 -3.359 -12.924 3.914
6 HB2 ALA 1 3HB ALA 1 -2.050 -12.399 2.855
7 HB3 ALA 1 1HB ALA 1 -2.879 -11.228 3.881
8 H THR 2 H THR 2 -0.166 -10.506 4.149
9 HA THR 2 HA THR 2 -0.611 -8.989 6.645
10 HB THR 2 HB THR 2 1.843 -9.121 4.874
11 HG1 THR 2 1HG THR 2 2.560 -10.353 6.397
12 HG21 THR 2 3HG2 THR 2 0.856 -7.032 6.696
13 HG22 THR 2 1HG2 THR 2 2.092 -6.938 5.442
14 HG23 THR 2 2HG2 THR 2 2.503 -7.565 7.039
15 H CYS 3 H CYS 3 -2.049 -7.473 6.199
16 HA CYS 3 HA CYS 3 -2.194 -6.242 3.574
17 HB2 CYS 3 2HB CYS 3 -3.836 -5.870 6.090
18 HB3 CYS 3 1HB CYS 3 -4.125 -5.014 4.580
19 H TYR 4 H TYR 4 -1.520 -4.228 3.053
20 HA TYR 4 HA TYR 4 -0.957 -2.226 5.045
21 HB2 TYR 4 2HB TYR 4 1.436 -2.025 4.607
22 HB3 TYR 4 1HB TYR 4 1.070 -3.636 5.221
23 HD1 TYR 4 2HD TYR 4 1.956 -1.672 2.222
24 HD2 TYR 4 1HD TYR 4 1.248 -5.600 3.809
25 HE1 TYR 4 2HE TYR 4 2.941 -2.674 0.178
26 HE2 TYR 4 1HE TYR 4 2.232 -6.602 1.765
27 HH TYR 4 HH TYR 4 2.915 -4.737 -1.051
28 H CYS 5 H CYS 5 -0.526 -0.163 4.119
29 HA CYS 5 HA CYS 5 -1.451 0.054 1.354
30 HB2 CYS 5 2HB CYS 5 -0.839 2.353 3.196
31 HB3 CYS 5 1HB CYS 5 -1.930 2.286 1.842
32 H ARG 6 H ARG 6 -0.266 1.002 -0.282
33 HA ARG 6 HA ARG 6 2.502 1.811 0.325
34 HB2 ARG 6 2HB ARG 6 3.358 0.512 -1.546
35 HB3 ARG 6 1HB ARG 6 2.496 -0.564 -0.445
36 HG2 ARG 6 2HG ARG 6 0.730 -0.878 -1.893
37 HG3 ARG 6 1HG ARG 6 0.951 0.679 -2.688
38 HD2 ARG 6 2HD ARG 6 2.953 -1.568 -2.931
39 HD3 ARG 6 1HD ARG 6 1.611 -1.353 -4.052
40 HE ARG 6 HE ARG 6 2.693 1.049 -4.220
41 HH11 ARG 6 1HH2 ARG 6 4.216 -2.049 -3.977
42 HH12 ARG 6 2HH2 ARG 6 5.628 -1.578 -4.863
43 HH21 ARG 6 1HH1 ARG 6 4.543 1.674 -5.381
44 HH22 ARG 6 2HH1 ARG 6 5.814 0.529 -5.657
45 H THR 7 H THR 7 3.477 3.134 -1.344
46 HA THR 7 HA THR 7 1.515 4.881 -2.600
47 HB THR 7 HB THR 7 3.594 5.679 -1.351
48 HG1 THR 7 1HG THR 7 2.428 6.533 -3.594
49 HG21 THR 7 3HG2 THR 7 4.881 3.901 -3.010
50 HG22 THR 7 1HG2 THR 7 5.670 5.212 -2.133
51 HG23 THR 7 2HG2 THR 7 5.184 5.441 -3.813
52 H GLY 8 H GLY 8 0.997 2.804 -3.957
53 HA2 GLY 8 2HA GLY 8 1.170 3.121 -6.563
54 HA3 GLY 8 1HA GLY 8 2.795 2.516 -6.256
55 H ARG 9 H ARG 9 1.796 0.858 -7.841
56 HA ARG 9 HA ARG 9 -0.095 -1.032 -6.866
57 HB2 ARG 9 2HB ARG 9 0.294 -0.735 -9.250
58 HB3 ARG 9 1HB ARG 9 1.960 -1.282 -9.059
59 HG2 ARG 9 2HG ARG 9 1.257 -3.474 -8.399
60 HG3 ARG 9 1HG ARG 9 -0.423 -2.958 -8.263
61 HD2 ARG 9 2HD ARG 9 -0.102 -4.170 -10.360
62 HD3 ARG 9 1HD ARG 9 -0.457 -2.476 -10.685
63 HE ARG 9 HE ARG 9 1.734 -2.204 -11.476
64 HH11 ARG 9 1HH2 ARG 9 1.243 -5.292 -9.995
65 HH12 ARG 9 2HH2 ARG 9 2.736 -5.957 -10.569
66 HH21 ARG 9 1HH1 ARG 9 3.692 -3.069 -12.232
67 HH22 ARG 9 2HH1 ARG 9 4.122 -4.699 -11.835
68 H CYS 10 H CYS 10 0.300 -3.219 -6.258
69 HA CYS 10 HA CYS 10 2.849 -3.545 -4.805
70 HB2 CYS 10 2HB CYS 10 0.063 -4.530 -4.367
71 HB3 CYS 10 1HB CYS 10 1.405 -5.498 -3.760
72 H ALA 11 H ALA 11 2.850 -6.263 -4.436
73 HA ALA 11 HA ALA 11 3.773 -7.166 -7.032
74 HB1 ALA 11 1HB ALA 11 4.361 -7.777 -4.324
75 HB2 ALA 11 2HB ALA 11 5.151 -8.402 -5.772
76 HB3 ALA 11 3HB ALA 11 3.776 -9.261 -5.075
77 H THR 12 H THR 12 3.091 -9.170 -8.007
78 HA THR 12 HA THR 12 0.307 -9.396 -8.310
79 HB THR 12 HB THR 12 2.331 -11.559 -8.910
80 HG1 THR 12 1HG THR 12 2.630 -9.234 -9.701
81 HG21 THR 12 3HG2 THR 12 -0.234 -10.798 -10.323
82 HG22 THR 12 1HG2 THR 12 -0.132 -12.060 -9.096
83 HG23 THR 12 2HG2 THR 12 0.761 -12.227 -10.608
84 H ARG 13 H ARG 13 2.595 -11.305 -6.405
85 HA ARG 13 HA ARG 13 0.844 -13.294 -5.503
86 HB2 ARG 13 2HB ARG 13 3.184 -12.042 -4.037
87 HB3 ARG 13 1HB ARG 13 2.428 -13.584 -3.640
88 HG2 ARG 13 2HG ARG 13 3.574 -13.018 -6.376
89 HG3 ARG 13 1HG ARG 13 4.549 -13.701 -5.077
90 HD2 ARG 13 2HD ARG 13 2.806 -15.515 -4.845
91 HD3 ARG 13 1HD ARG 13 2.050 -14.883 -6.299
92 HE ARG 13 HE ARG 13 4.822 -15.923 -6.247
93 HH11 ARG 13 1HH2 ARG 13 1.714 -15.477 -7.720
94 HH12 ARG 13 2HH2 ARG 13 2.122 -16.346 -9.155
95 HH21 ARG 13 1HH1 ARG 13 5.354 -17.065 -8.134
96 HH22 ARG 13 2HH1 ARG 13 4.178 -17.245 -9.392
97 H GLU 14 H GLU 14 1.285 -9.979 -4.476
98 HA GLU 14 HA GLU 14 -0.128 -10.182 -2.000
99 HB2 GLU 14 2HB GLU 14 -0.080 -7.634 -3.550
100 HB3 GLU 14 1HB GLU 14 0.170 -7.916 -1.828
101 HG2 GLU 14 2HG GLU 14 2.292 -9.239 -2.691
102 HG3 GLU 14 1HG GLU 14 2.102 -8.171 -4.072
103 H SER 15 H SER 15 -2.165 -8.787 -1.676
104 HA SER 15 HA SER 15 -4.052 -9.187 -3.915
105 HB2 SER 15 2HB SER 15 -5.746 -9.778 -2.079
106 HB3 SER 15 1HB SER 15 -4.554 -10.971 -2.525
107 HG SER 15 HG SER 15 -3.278 -10.023 -0.745
108 H LEU 16 H LEU 16 -5.224 -7.458 -4.353
109 HA LEU 16 HA LEU 16 -4.931 -5.065 -2.738
110 HB2 LEU 16 2HB LEU 16 -5.417 -5.573 -5.442
111 HB3 LEU 16 1HB LEU 16 -6.925 -4.881 -4.846
112 HG LEU 16 HG LEU 16 -5.399 -3.105 -5.608
113 HD11 LEU 16 1HD1 LEU 16 -6.511 -3.350 -2.949
114 HD12 LEU 16 2HD1 LEU 16 -6.414 -1.925 -3.980
115 HD13 LEU 16 3HD1 LEU 16 -5.071 -2.336 -2.913
116 HD21 LEU 16 3HD2 LEU 16 -3.441 -4.757 -4.439
117 HD22 LEU 16 1HD2 LEU 16 -3.475 -3.302 -3.441
118 HD23 LEU 16 2HD2 LEU 16 -3.183 -3.176 -5.177
119 H SER 17 H SER 17 -6.245 -4.439 -1.165
120 HA SER 17 HA SER 17 -8.846 -5.790 -0.879
121 HB2 SER 17 2HB SER 17 -8.741 -5.216 1.449
122 HB3 SER 17 1HB SER 17 -7.168 -5.868 1.006
123 HG SER 17 HG SER 17 -7.837 -3.411 1.915
124 H GLY 18 H GLY 18 -7.340 -2.573 -0.738
125 HA2 GLY 18 2HA GLY 18 -9.574 -1.301 -1.976
126 HA3 GLY 18 1HA GLY 18 -9.568 -1.008 -0.240
127 H VAL 19 H VAL 19 -9.359 1.225 -1.503
128 HA VAL 19 HA VAL 19 -6.532 1.846 -2.030
129 HB VAL 19 HB VAL 19 -7.757 2.862 -3.708
130 HG11 VAL 19 1HG1 VAL 19 -9.909 2.910 -1.636
131 HG12 VAL 19 2HG1 VAL 19 -9.981 2.380 -3.318
132 HG13 VAL 19 3HG1 VAL 19 -9.997 4.102 -2.934
133 HG21 VAL 19 3HG2 VAL 19 -8.182 5.033 -1.664
134 HG22 VAL 19 1HG2 VAL 19 -7.668 5.181 -3.346
135 HG23 VAL 19 2HG2 VAL 19 -6.550 4.558 -2.132
136 H CYS 20 H CYS 20 -5.341 2.496 -0.363
137 HA CYS 20 HA CYS 20 -6.490 3.436 2.101
138 HB2 CYS 20 2HB CYS 20 -3.687 3.115 1.072
139 HB3 CYS 20 1HB CYS 20 -4.011 3.852 2.643
140 H GLU 21 H GLU 21 -4.808 5.438 2.922
141 HA GLU 21 HA GLU 21 -4.762 7.595 0.987
142 HB2 GLU 21 2HB GLU 21 -7.133 7.587 1.717
143 HB3 GLU 21 1HB GLU 21 -6.598 7.790 3.386
144 HG2 GLU 21 2HG GLU 21 -5.490 9.903 2.786
145 HG3 GLU 21 1HG GLU 21 -6.000 9.701 1.111
146 H ILE 22 H ILE 22 -2.719 8.212 1.385
147 HA ILE 22 HA ILE 22 -1.997 8.812 4.195
148 HB ILE 22 HB ILE 22 0.021 8.011 2.119
149 HG12 ILE 22 2HG1 ILE 22 -1.760 6.239 2.304
150 HG13 ILE 22 1HG1 ILE 22 -0.166 5.698 2.836
151 HG21 ILE 22 1HG2 ILE 22 1.304 7.380 4.119
152 HG22 ILE 22 2HG2 ILE 22 -0.062 7.826 5.140
153 HG23 ILE 22 3HG2 ILE 22 0.790 9.064 4.219
154 HD11 ILE 22 3HD1 ILE 22 -2.380 6.691 4.645
155 HD12 ILE 22 1HD1 ILE 22 -0.789 6.153 5.172
156 HD13 ILE 22 2HD1 ILE 22 -1.908 5.008 4.431
157 H SER 23 H SER 23 -1.288 10.822 4.587
158 HA SER 23 HA SER 23 -0.769 13.033 4.230
159 HB2 SER 23 2HB SER 23 0.861 13.368 2.244
160 HB3 SER 23 1HB SER 23 1.385 12.366 3.593
161 HG SER 23 HG SER 23 1.113 11.704 1.028
162 H GLY 24 H GLY 24 -3.221 12.002 3.055
163 HA2 GLY 24 2HA GLY 24 -4.941 13.003 1.856
164 HA3 GLY 24 1HA GLY 24 -3.798 14.220 1.296
165 H ARG 25 H ARG 25 -2.093 11.661 0.599
166 HA ARG 25 HA ARG 25 -3.063 11.520 -2.146
167 HB2 ARG 25 2HB ARG 25 -0.666 11.915 -1.746
168 HB3 ARG 25 1HB ARG 25 -0.568 10.382 -0.894
169 HG2 ARG 25 2HG ARG 25 0.078 9.674 -2.999
170 HG3 ARG 25 1HG ARG 25 -1.664 9.472 -3.157
171 HD2 ARG 25 2HD ARG 25 -1.143 10.703 -5.071
172 HD3 ARG 25 1HD ARG 25 -1.634 11.961 -3.939
173 HE ARG 25 HE ARG 25 0.626 12.633 -3.759
174 HH11 ARG 25 1HH2 ARG 25 0.171 9.835 -5.745
175 HH12 ARG 25 2HH2 ARG 25 1.751 9.910 -6.451
176 HH21 ARG 25 1HH1 ARG 25 2.700 12.735 -4.680
177 HH22 ARG 25 2HH1 ARG 25 3.182 11.551 -5.848
178 H LEU 26 H LEU 26 -3.776 9.683 -3.151
179 HA LEU 26 HA LEU 26 -4.969 7.686 -1.498
180 HB2 LEU 26 2HB LEU 26 -4.645 7.965 -4.488
181 HB3 LEU 26 1HB LEU 26 -5.478 6.600 -3.742
182 HG LEU 26 HG LEU 26 -6.204 9.492 -3.207
183 HD11 LEU 26 1HD1 LEU 26 -6.647 7.973 -5.569
184 HD12 LEU 26 2HD1 LEU 26 -7.350 9.533 -5.145
185 HD13 LEU 26 3HD1 LEU 26 -8.185 8.043 -4.711
186 HD21 LEU 26 3HD2 LEU 26 -7.406 8.529 -1.555
187 HD22 LEU 26 1HD2 LEU 26 -6.989 6.913 -2.120
188 HD23 LEU 26 2HD2 LEU 26 -8.377 7.756 -2.808
189 H TYR 27 H TYR 27 -4.271 5.722 -0.927
190 HA TYR 27 HA TYR 27 -1.734 4.744 -2.090
191 HB2 TYR 27 2HB TYR 27 -2.617 4.960 0.732
192 HB3 TYR 27 1HB TYR 27 -1.666 3.558 0.258
193 HD1 TYR 27 2HD TYR 27 -1.668 7.234 -0.472
194 HD2 TYR 27 1HD TYR 27 0.620 3.748 0.550
195 HE1 TYR 27 2HE TYR 27 0.406 8.590 -0.428
196 HE2 TYR 27 1HE TYR 27 2.689 5.114 0.587
197 HH TYR 27 HH TYR 27 3.492 7.227 0.601
198 H ARG 28 H ARG 28 -1.525 2.504 -2.394
199 HA ARG 28 HA ARG 28 -4.101 1.124 -2.695
200 HB2 ARG 28 2HB ARG 28 -1.320 0.413 -3.678
201 HB3 ARG 28 1HB ARG 28 -2.788 -0.496 -4.037
202 HG2 ARG 28 2HG ARG 28 -2.573 2.446 -4.660
203 HG3 ARG 28 1HG ARG 28 -2.009 1.222 -5.798
204 HD2 ARG 28 2HD ARG 28 -4.278 0.159 -5.681
205 HD3 ARG 28 1HD ARG 28 -4.815 1.506 -4.686
206 HE ARG 28 HE ARG 28 -4.105 1.638 -7.535
207 HH11 ARG 28 1HH2 ARG 28 -5.206 3.127 -4.610
208 HH12 ARG 28 2HH2 ARG 28 -5.833 4.533 -5.402
209 HH21 ARG 28 1HH1 ARG 28 -4.924 3.479 -8.576
210 HH22 ARG 28 2HH1 ARG 28 -5.672 4.734 -7.647
211 H LEU 29 H LEU 29 -4.684 -0.621 -1.529
212 HA LEU 29 HA LEU 29 -2.843 -1.470 0.605
213 HB2 LEU 29 2HB LEU 29 -4.973 -0.622 1.410
214 HB3 LEU 29 1HB LEU 29 -5.850 -1.721 0.350
215 HG LEU 29 HG LEU 29 -4.947 -3.659 1.542
216 HD11 LEU 29 1HD1 LEU 29 -3.227 -1.537 2.745
217 HD12 LEU 29 2HD1 LEU 29 -2.839 -3.211 2.347
218 HD13 LEU 29 3HD1 LEU 29 -3.739 -2.842 3.816
219 HD21 LEU 29 3HD2 LEU 29 -6.863 -1.977 2.487
220 HD22 LEU 29 1HD2 LEU 29 -5.740 -1.957 3.847
221 HD23 LEU 29 2HD2 LEU 29 -6.420 -3.485 3.286
222 H CYS 30 H CYS 30 -1.711 -3.225 0.094
223 HA CYS 30 HA CYS 30 -3.100 -5.400 -1.334
224 HB2 CYS 30 2HB CYS 30 -0.868 -6.089 -2.146
225 HB3 CYS 30 1HB CYS 30 -1.337 -4.499 -2.713
226 H CYS 31 H CYS 31 -2.958 -7.502 -0.511
227 HA CYS 31 HA CYS 31 -1.560 -7.723 2.082
228 HB2 CYS 31 2HB CYS 31 -4.042 -9.202 1.230
229 HB3 CYS 31 1HB CYS 31 -3.300 -9.212 2.811
230 H ARG 32 H ARG 32 -0.278 -9.483 2.415
231 HA ARG 32 HA ARG 32 -0.271 -11.644 0.438
232 HB2 ARG 32 2HB ARG 32 2.105 -11.466 0.030
233 HB3 ARG 32 1HB ARG 32 1.333 -9.931 -0.373
234 HG2 ARG 32 2HG ARG 32 1.884 -9.428 2.199
235 HG3 ARG 32 1HG ARG 32 3.160 -10.604 1.888
236 HD2 ARG 32 2HD ARG 32 2.644 -8.241 0.088
237 HD3 ARG 32 1HD ARG 32 3.769 -8.174 1.441
238 HE ARG 32 HE ARG 32 4.354 -10.412 -0.219
239 HH11 ARG 32 1HH2 ARG 32 4.537 -6.959 -0.057
240 HH12 ARG 32 2HH2 ARG 32 5.918 -6.845 -1.095
241 HH21 ARG 32 1HH1 ARG 32 6.165 -10.270 -1.581
242 HH22 ARG 32 2HH1 ARG 32 6.840 -8.720 -1.958
Start of MODEL 19
1 H1 ALA 1 1HT ALA 1 -2.326 -14.250 5.359
2 H2 ALA 1 2HT ALA 1 -3.380 -12.938 5.590
3 H3 ALA 1 3HT ALA 1 -2.138 -13.240 6.709
4 HA ALA 1 HA ALA 1 -0.542 -12.904 4.776
5 HB1 ALA 1 2HB ALA 1 -2.068 -12.970 2.937
6 HB2 ALA 1 3HB ALA 1 -1.572 -11.285 3.089
7 HB3 ALA 1 1HB ALA 1 -3.144 -11.799 3.700
8 H THR 2 H THR 2 -0.088 -10.398 4.216
9 HA THR 2 HA THR 2 -0.650 -8.886 6.694
10 HB THR 2 HB THR 2 1.834 -8.793 4.962
11 HG1 THR 2 1HG THR 2 1.359 -10.655 6.451
12 HG21 THR 2 3HG2 THR 2 1.466 -7.563 7.687
13 HG22 THR 2 1HG2 THR 2 1.038 -6.677 6.223
14 HG23 THR 2 2HG2 THR 2 2.700 -7.210 6.477
15 H CYS 3 H CYS 3 -2.081 -7.392 6.234
16 HA CYS 3 HA CYS 3 -2.221 -6.155 3.611
17 HB2 CYS 3 2HB CYS 3 -3.857 -5.828 6.134
18 HB3 CYS 3 1HB CYS 3 -4.159 -4.942 4.645
19 H TYR 4 H TYR 4 -1.542 -4.146 3.095
20 HA TYR 4 HA TYR 4 -1.048 -2.105 5.051
21 HB2 TYR 4 2HB TYR 4 1.385 -1.920 4.657
22 HB3 TYR 4 1HB TYR 4 0.958 -3.446 5.432
23 HD1 TYR 4 1HD TYR 4 1.892 -1.858 2.211
24 HD2 TYR 4 2HD TYR 4 1.258 -5.550 4.314
25 HE1 TYR 4 1HE TYR 4 2.932 -3.106 0.337
26 HE2 TYR 4 2HE TYR 4 2.298 -6.797 2.440
27 HH TYR 4 HH TYR 4 3.941 -5.167 -0.162
28 H CYS 5 H CYS 5 -0.483 -0.068 4.086
29 HA CYS 5 HA CYS 5 -1.325 0.085 1.293
30 HB2 CYS 5 2HB CYS 5 -0.591 2.464 2.966
31 HB3 CYS 5 1HB CYS 5 -1.751 2.330 1.674
32 H ARG 6 H ARG 6 -0.088 1.018 -0.343
33 HA ARG 6 HA ARG 6 2.722 1.637 0.277
34 HB2 ARG 6 2HB ARG 6 3.490 0.283 -1.616
35 HB3 ARG 6 1HB ARG 6 2.636 -0.725 -0.446
36 HG2 ARG 6 2HG ARG 6 0.884 -1.115 -1.849
37 HG3 ARG 6 1HG ARG 6 0.975 0.479 -2.592
38 HD2 ARG 6 2HD ARG 6 1.643 -1.409 -4.116
39 HD3 ARG 6 1HD ARG 6 2.867 -0.160 -3.929
40 HE ARG 6 HE ARG 6 3.052 -2.513 -2.183
41 HH11 ARG 6 1HH2 ARG 6 4.128 -0.704 -4.928
42 HH12 ARG 6 2HH2 ARG 6 5.651 -1.523 -5.045
43 HH21 ARG 6 1HH1 ARG 6 5.044 -3.593 -2.329
44 HH22 ARG 6 2HH1 ARG 6 6.169 -3.158 -3.571
45 H THR 7 H THR 7 3.789 2.899 -1.373
46 HA THR 7 HA THR 7 1.973 4.764 -2.655
47 HB THR 7 HB THR 7 4.113 5.423 -1.467
48 HG1 THR 7 1HG THR 7 4.707 6.824 -3.350
49 HG21 THR 7 3HG2 THR 7 5.690 4.932 -3.897
50 HG22 THR 7 1HG2 THR 7 5.231 3.461 -3.038
51 HG23 THR 7 2HG2 THR 7 6.137 4.725 -2.204
52 H GLY 8 H GLY 8 1.129 2.943 -4.060
53 HA2 GLY 8 2HA GLY 8 1.241 3.093 -6.614
54 HA3 GLY 8 1HA GLY 8 2.872 2.465 -6.398
55 H ARG 9 H ARG 9 1.587 0.886 -7.954
56 HA ARG 9 HA ARG 9 -0.223 -0.983 -6.871
57 HB2 ARG 9 2HB ARG 9 0.161 -0.641 -9.291
58 HB3 ARG 9 1HB ARG 9 1.751 -1.389 -9.118
59 HG2 ARG 9 2HG ARG 9 0.773 -3.464 -8.387
60 HG3 ARG 9 1HG ARG 9 -0.830 -2.731 -8.305
61 HD2 ARG 9 2HD ARG 9 -0.669 -3.998 -10.365
62 HD3 ARG 9 1HD ARG 9 -0.702 -2.279 -10.747
63 HE ARG 9 HE ARG 9 1.985 -3.206 -10.489
64 HH11 ARG 9 1HH2 ARG 9 -0.792 -3.236 -12.562
65 HH12 ARG 9 2HH2 ARG 9 0.129 -3.419 -14.018
66 HH21 ARG 9 1HH1 ARG 9 3.192 -3.448 -12.397
67 HH22 ARG 9 2HH1 ARG 9 2.382 -3.539 -13.923
68 H CYS 10 H CYS 10 0.169 -3.215 -6.330
69 HA CYS 10 HA CYS 10 2.744 -3.567 -4.936
70 HB2 CYS 10 2HB CYS 10 -0.037 -4.547 -4.442
71 HB3 CYS 10 1HB CYS 10 1.314 -5.533 -3.888
72 H ALA 11 H ALA 11 2.839 -6.248 -4.620
73 HA ALA 11 HA ALA 11 3.612 -7.119 -7.279
74 HB1 ALA 11 1HB ALA 11 3.794 -9.132 -5.184
75 HB2 ALA 11 2HB ALA 11 4.561 -7.613 -4.716
76 HB3 ALA 11 3HB ALA 11 5.066 -8.439 -6.190
77 H THR 12 H THR 12 3.038 -9.310 -8.042
78 HA THR 12 HA THR 12 0.253 -9.604 -8.301
79 HB THR 12 HB THR 12 2.466 -11.603 -8.813
80 HG1 THR 12 1HG THR 12 1.015 -10.072 -10.680
81 HG21 THR 12 3HG2 THR 12 0.407 -12.814 -8.644
82 HG22 THR 12 1HG2 THR 12 0.720 -12.593 -10.365
83 HG23 THR 12 2HG2 THR 12 -0.466 -11.576 -9.547
84 H ARG 13 H ARG 13 2.605 -11.298 -6.274
85 HA ARG 13 HA ARG 13 0.908 -13.245 -5.190
86 HB2 ARG 13 2HB ARG 13 3.213 -11.827 -3.827
87 HB3 ARG 13 1HB ARG 13 2.534 -13.388 -3.371
88 HG2 ARG 13 2HG ARG 13 3.657 -12.864 -6.128
89 HG3 ARG 13 1HG ARG 13 4.658 -13.454 -4.804
90 HD2 ARG 13 2HD ARG 13 3.101 -15.381 -4.532
91 HD3 ARG 13 1HD ARG 13 2.192 -14.813 -5.928
92 HE ARG 13 HE ARG 13 4.894 -15.961 -5.975
93 HH11 ARG 13 1HH2 ARG 13 2.177 -14.547 -7.594
94 HH12 ARG 13 2HH2 ARG 13 2.664 -15.085 -9.167
95 HH21 ARG 13 1HH1 ARG 13 5.534 -16.663 -8.034
96 HH22 ARG 13 2HH1 ARG 13 4.564 -16.281 -9.416
97 H GLU 14 H GLU 14 1.270 -9.841 -4.479
98 HA GLU 14 HA GLU 14 -0.099 -9.904 -1.964
99 HB2 GLU 14 2HB GLU 14 -0.071 -7.427 -3.625
100 HB3 GLU 14 1HB GLU 14 0.240 -7.640 -1.901
101 HG2 GLU 14 2HG GLU 14 2.320 -9.029 -2.841
102 HG3 GLU 14 1HG GLU 14 2.099 -7.932 -4.200
103 H SER 15 H SER 15 -2.163 -8.698 -1.609
104 HA SER 15 HA SER 15 -4.044 -9.070 -3.859
105 HB2 SER 15 2HB SER 15 -5.699 -9.693 -1.979
106 HB3 SER 15 1HB SER 15 -4.548 -10.884 -2.533
107 HG SER 15 HG SER 15 -4.716 -10.589 -0.194
108 H LEU 16 H LEU 16 -5.175 -7.353 -4.301
109 HA LEU 16 HA LEU 16 -4.987 -4.977 -2.691
110 HB2 LEU 16 2HB LEU 16 -5.471 -5.473 -5.364
111 HB3 LEU 16 1HB LEU 16 -7.045 -4.947 -4.768
112 HG LEU 16 HG LEU 16 -5.732 -3.010 -5.504
113 HD11 LEU 16 1HD1 LEU 16 -5.471 -2.522 -2.641
114 HD12 LEU 16 2HD1 LEU 16 -6.998 -3.312 -3.036
115 HD13 LEU 16 3HD1 LEU 16 -6.569 -1.783 -3.804
116 HD21 LEU 16 3HD2 LEU 16 -3.513 -2.870 -5.126
117 HD22 LEU 16 1HD2 LEU 16 -3.591 -4.460 -4.369
118 HD23 LEU 16 2HD2 LEU 16 -3.758 -3.006 -3.386
119 H SER 17 H SER 17 -6.333 -4.253 -1.183
120 HA SER 17 HA SER 17 -8.904 -5.669 -0.821
121 HB2 SER 17 2HB SER 17 -8.712 -5.231 1.532
122 HB3 SER 17 1HB SER 17 -7.183 -5.915 0.994
123 HG SER 17 HG SER 17 -7.018 -4.003 2.332
124 H GLY 18 H GLY 18 -7.377 -2.619 -1.350
125 HA2 GLY 18 2HA GLY 18 -9.608 -1.218 -2.138
126 HA3 GLY 18 1HA GLY 18 -9.514 -0.958 -0.397
127 H VAL 19 H VAL 19 -9.302 1.294 -1.627
128 HA VAL 19 HA VAL 19 -6.483 1.862 -2.255
129 HB VAL 19 HB VAL 19 -8.076 2.771 -3.833
130 HG11 VAL 19 1HG1 VAL 19 -9.722 3.008 -1.560
131 HG12 VAL 19 2HG1 VAL 19 -10.130 3.462 -3.215
132 HG13 VAL 19 3HG1 VAL 19 -9.448 4.659 -2.114
133 HG21 VAL 19 3HG2 VAL 19 -6.148 4.243 -2.604
134 HG22 VAL 19 1HG2 VAL 19 -7.561 5.247 -2.280
135 HG23 VAL 19 2HG2 VAL 19 -7.125 4.848 -3.943
136 H CYS 20 H CYS 20 -5.235 2.416 -0.602
137 HA CYS 20 HA CYS 20 -6.233 3.303 1.937
138 HB2 CYS 20 2HB CYS 20 -3.578 2.794 0.696
139 HB3 CYS 20 1HB CYS 20 -3.639 3.772 2.164
140 H GLU 21 H GLU 21 -5.055 5.289 2.938
141 HA GLU 21 HA GLU 21 -4.856 7.524 1.044
142 HB2 GLU 21 2HB GLU 21 -6.302 8.880 2.659
143 HB3 GLU 21 1HB GLU 21 -7.147 7.693 1.664
144 HG2 GLU 21 2HG GLU 21 -7.000 6.064 3.550
145 HG3 GLU 21 1HG GLU 21 -6.274 7.326 4.544
146 H ILE 22 H ILE 22 -2.830 8.175 1.424
147 HA ILE 22 HA ILE 22 -2.039 8.646 4.234
148 HB ILE 22 HB ILE 22 -0.314 7.602 1.978
149 HG12 ILE 22 2HG1 ILE 22 -0.844 6.269 4.633
150 HG13 ILE 22 1HG1 ILE 22 -1.979 6.065 3.298
151 HG21 ILE 22 1HG2 ILE 22 1.258 7.390 4.109
152 HG22 ILE 22 2HG2 ILE 22 0.273 8.732 4.690
153 HG23 ILE 22 3HG2 ILE 22 1.186 8.893 3.190
154 HD11 ILE 22 3HD1 ILE 22 0.352 4.593 3.714
155 HD12 ILE 22 1HD1 ILE 22 0.777 5.721 2.426
156 HD13 ILE 22 2HD1 ILE 22 -0.604 4.638 2.232
157 H SER 23 H SER 23 -1.243 10.628 4.675
158 HA SER 23 HA SER 23 -0.678 12.838 4.373
159 HB2 SER 23 2HB SER 23 0.766 13.150 2.176
160 HB3 SER 23 1HB SER 23 1.417 12.305 3.576
161 HG SER 23 HG SER 23 0.453 11.294 1.143
162 H GLY 24 H GLY 24 -3.168 11.703 3.110
163 HA2 GLY 24 2HA GLY 24 -4.956 12.894 2.151
164 HA3 GLY 24 1HA GLY 24 -3.805 14.063 1.507
165 H ARG 25 H ARG 25 -2.165 11.636 0.605
166 HA ARG 25 HA ARG 25 -3.407 11.429 -2.017
167 HB2 ARG 25 2HB ARG 25 -1.081 11.834 -2.124
168 HB3 ARG 25 1HB ARG 25 -0.729 10.615 -0.903
169 HG2 ARG 25 2HG ARG 25 -1.421 8.833 -2.429
170 HG3 ARG 25 1HG ARG 25 -1.903 10.024 -3.637
171 HD2 ARG 25 2HD ARG 25 0.412 10.796 -3.835
172 HD3 ARG 25 1HD ARG 25 0.914 9.676 -2.571
173 HE ARG 25 HE ARG 25 0.813 7.943 -4.127
174 HH11 ARG 25 1HH2 ARG 25 -0.730 10.804 -5.311
175 HH12 ARG 25 2HH2 ARG 25 -0.904 10.207 -6.928
176 HH21 ARG 25 1HH1 ARG 25 0.589 7.152 -6.243
177 HH22 ARG 25 2HH1 ARG 25 -0.157 8.139 -7.455
178 H LEU 26 H LEU 26 -4.152 9.569 -2.963
179 HA LEU 26 HA LEU 26 -5.067 7.509 -1.176
180 HB2 LEU 26 2HB LEU 26 -5.365 8.116 -4.089
181 HB3 LEU 26 1HB LEU 26 -5.720 6.483 -3.526
182 HG LEU 26 HG LEU 26 -7.276 7.425 -1.833
183 HD11 LEU 26 1HD1 LEU 26 -6.718 10.054 -3.244
184 HD12 LEU 26 2HD1 LEU 26 -6.159 9.636 -1.624
185 HD13 LEU 26 3HD1 LEU 26 -7.886 9.798 -1.947
186 HD21 LEU 26 3HD2 LEU 26 -8.952 8.356 -3.559
187 HD22 LEU 26 1HD2 LEU 26 -8.327 6.732 -3.850
188 HD23 LEU 26 2HD2 LEU 26 -7.678 8.103 -4.752
189 H TYR 27 H TYR 27 -4.192 5.589 -0.768
190 HA TYR 27 HA TYR 27 -1.792 4.772 -2.291
191 HB2 TYR 27 2HB TYR 27 -2.448 4.668 0.608
192 HB3 TYR 27 1HB TYR 27 -1.419 3.418 -0.088
193 HD1 TYR 27 1HD TYR 27 -1.795 7.121 -0.603
194 HD2 TYR 27 2HD TYR 27 0.824 3.826 0.238
195 HE1 TYR 27 1HE TYR 27 0.146 8.666 -0.570
196 HE2 TYR 27 2HE TYR 27 2.762 5.370 0.264
197 HH TYR 27 HH TYR 27 2.333 8.858 -0.353
198 H ARG 28 H ARG 28 -1.423 2.402 -2.351
199 HA ARG 28 HA ARG 28 -3.986 1.041 -2.857
200 HB2 ARG 28 2HB ARG 28 -1.161 0.691 -3.815
201 HB3 ARG 28 1HB ARG 28 -2.247 -0.697 -3.839
202 HG2 ARG 28 2HG ARG 28 -2.459 0.360 -5.977
203 HG3 ARG 28 1HG ARG 28 -3.913 0.784 -5.072
204 HD2 ARG 28 2HD ARG 28 -2.930 2.944 -4.462
205 HD3 ARG 28 1HD ARG 28 -1.438 2.520 -5.296
206 HE ARG 28 HE ARG 28 -3.254 2.279 -7.271
207 HH11 ARG 28 1HH2 ARG 28 -2.712 4.702 -4.860
208 HH12 ARG 28 2HH2 ARG 28 -3.291 6.005 -5.843
209 HH21 ARG 28 1HH1 ARG 28 -4.013 3.981 -8.564
210 HH22 ARG 28 2HH1 ARG 28 -4.028 5.597 -7.942
211 H LEU 29 H LEU 29 -4.702 -0.529 -1.536
212 HA LEU 29 HA LEU 29 -2.946 -1.407 0.654
213 HB2 LEU 29 2HB LEU 29 -5.142 -0.473 1.263
214 HB3 LEU 29 1HB LEU 29 -5.937 -1.714 0.296
215 HG LEU 29 HG LEU 29 -5.033 -3.482 1.725
216 HD11 LEU 29 1HD1 LEU 29 -3.462 -1.165 2.825
217 HD12 LEU 29 2HD1 LEU 29 -2.917 -2.792 2.425
218 HD13 LEU 29 3HD1 LEU 29 -3.855 -2.514 3.892
219 HD21 LEU 29 3HD2 LEU 29 -7.069 -1.949 2.410
220 HD22 LEU 29 1HD2 LEU 29 -5.974 -1.375 3.668
221 HD23 LEU 29 2HD2 LEU 29 -6.405 -3.082 3.588
222 H CYS 30 H CYS 30 -1.753 -3.107 -0.034
223 HA CYS 30 HA CYS 30 -3.214 -5.315 -1.328
224 HB2 CYS 30 2HB CYS 30 -1.066 -6.025 -2.258
225 HB3 CYS 30 1HB CYS 30 -1.447 -4.392 -2.747
226 H CYS 31 H CYS 31 -2.907 -7.466 -0.538
227 HA CYS 31 HA CYS 31 -1.522 -7.567 2.076
228 HB2 CYS 31 2HB CYS 31 -3.987 -9.107 1.263
229 HB3 CYS 31 1HB CYS 31 -3.228 -9.099 2.839
230 H ARG 32 H ARG 32 -0.271 -9.371 2.497
231 HA ARG 32 HA ARG 32 -0.189 -11.550 0.556
232 HB2 ARG 32 2HB ARG 32 2.211 -11.312 0.172
233 HB3 ARG 32 1HB ARG 32 1.348 -9.871 -0.358
234 HG2 ARG 32 2HG ARG 32 1.823 -9.011 2.064
235 HG3 ARG 32 1HG ARG 32 3.092 -10.240 2.054
236 HD2 ARG 32 2HD ARG 32 2.752 -8.215 -0.155
237 HD3 ARG 32 1HD ARG 32 3.790 -7.930 1.240
238 HE ARG 32 HE ARG 32 4.460 -10.422 0.066
239 HH11 ARG 32 1HH2 ARG 32 4.606 -7.007 -0.505
240 HH12 ARG 32 2HH2 ARG 32 6.021 -7.095 -1.500
241 HH21 ARG 32 1HH1 ARG 32 6.318 -10.539 -1.240
242 HH22 ARG 32 2HH1 ARG 32 6.988 -9.093 -1.916
Start of MODEL 20
1 H1 ALA 1 1HT ALA 1 -2.534 -12.799 6.577
2 H2 ALA 1 2HT ALA 1 -2.126 -14.139 5.617
3 H3 ALA 1 3HT ALA 1 -3.485 -13.198 5.230
4 HA ALA 1 HA ALA 1 -0.744 -12.816 4.522
5 HB1 ALA 1 2HB ALA 1 -2.320 -12.829 2.774
6 HB2 ALA 1 3HB ALA 1 -1.982 -11.112 2.991
7 HB3 ALA 1 1HB ALA 1 -3.454 -11.814 3.665
8 H THR 2 H THR 2 -0.136 -10.407 4.032
9 HA THR 2 HA THR 2 -0.596 -8.840 6.492
10 HB THR 2 HB THR 2 1.837 -9.004 4.695
11 HG1 THR 2 1HG THR 2 2.263 -9.345 7.306
12 HG21 THR 2 3HG2 THR 2 2.129 -6.843 5.309
13 HG22 THR 2 1HG2 THR 2 2.562 -7.519 6.880
14 HG23 THR 2 2HG2 THR 2 0.919 -6.947 6.587
15 H CYS 3 H CYS 3 -2.005 -7.308 6.047
16 HA CYS 3 HA CYS 3 -2.133 -6.062 3.427
17 HB2 CYS 3 2HB CYS 3 -3.760 -5.642 5.948
18 HB3 CYS 3 1HB CYS 3 -4.052 -4.829 4.415
19 H TYR 4 H TYR 4 -1.463 -4.030 2.930
20 HA TYR 4 HA TYR 4 -0.858 -2.054 4.928
21 HB2 TYR 4 2HB TYR 4 1.544 -1.903 4.512
22 HB3 TYR 4 1HB TYR 4 1.137 -3.506 5.122
23 HD1 TYR 4 1HD TYR 4 2.155 -1.563 2.164
24 HD2 TYR 4 2HD TYR 4 1.221 -5.473 3.680
25 HE1 TYR 4 1HE TYR 4 3.142 -2.590 0.133
26 HE2 TYR 4 2HE TYR 4 2.204 -6.496 1.647
27 HH TYR 4 HH TYR 4 3.134 -4.578 -1.108
28 H CYS 5 H CYS 5 -0.357 0.009 4.005
29 HA CYS 5 HA CYS 5 -1.311 0.258 1.260
30 HB2 CYS 5 2HB CYS 5 -0.479 2.546 3.018
31 HB3 CYS 5 1HB CYS 5 -1.670 2.502 1.743
32 H ARG 6 H ARG 6 -0.120 1.114 -0.423
33 HA ARG 6 HA ARG 6 2.689 1.819 0.083
34 HB2 ARG 6 2HB ARG 6 3.459 0.406 -1.750
35 HB3 ARG 6 1HB ARG 6 2.614 -0.582 -0.559
36 HG2 ARG 6 2HG ARG 6 0.821 -0.975 -1.935
37 HG3 ARG 6 1HG ARG 6 0.989 0.557 -2.792
38 HD2 ARG 6 2HD ARG 6 3.020 -1.658 -3.042
39 HD3 ARG 6 1HD ARG 6 1.612 -1.543 -4.094
40 HE ARG 6 HE ARG 6 2.565 0.850 -4.512
41 HH11 ARG 6 1HH2 ARG 6 4.350 -2.067 -3.958
42 HH12 ARG 6 2HH2 ARG 6 5.727 -1.559 -4.876
43 HH21 ARG 6 1HH1 ARG 6 4.370 1.516 -5.720
44 HH22 ARG 6 2HH1 ARG 6 5.739 0.465 -5.874
45 H THR 7 H THR 7 3.648 3.088 -1.603
46 HA THR 7 HA THR 7 1.727 4.809 -2.931
47 HB THR 7 HB THR 7 3.425 6.161 -2.235
48 HG1 THR 7 1HG THR 7 3.617 5.509 -4.762
49 HG21 THR 7 3HG2 THR 7 4.689 4.473 -1.086
50 HG22 THR 7 1HG2 THR 7 5.818 5.351 -2.116
51 HG23 THR 7 2HG2 THR 7 5.233 3.763 -2.607
52 H GLY 8 H GLY 8 1.055 2.733 -4.179
53 HA2 GLY 8 2HA GLY 8 1.149 2.877 -6.787
54 HA3 GLY 8 1HA GLY 8 2.776 2.262 -6.516
55 H ARG 9 H ARG 9 1.770 0.529 -7.945
56 HA ARG 9 HA ARG 9 -0.103 -1.287 -6.758
57 HB2 ARG 9 2HB ARG 9 1.502 -1.194 -9.248
58 HB3 ARG 9 1HB ARG 9 0.994 -2.788 -8.688
59 HG2 ARG 9 2HG ARG 9 -1.359 -1.734 -8.437
60 HG3 ARG 9 1HG ARG 9 -0.728 -0.423 -9.436
61 HD2 ARG 9 2HD ARG 9 -0.081 -2.091 -11.155
62 HD3 ARG 9 1HD ARG 9 -0.791 -3.354 -10.154
63 HE ARG 9 HE ARG 9 -2.235 -1.386 -11.740
64 HH11 ARG 9 1HH2 ARG 9 -2.279 -3.701 -9.169
65 HH12 ARG 9 2HH2 ARG 9 -3.992 -3.945 -9.233
66 HH21 ARG 9 1HH1 ARG 9 -4.484 -1.700 -11.830
67 HH22 ARG 9 2HH1 ARG 9 -5.240 -2.812 -10.738
68 H CYS 10 H CYS 10 0.330 -3.499 -6.199
69 HA CYS 10 HA CYS 10 2.955 -3.772 -4.865
70 HB2 CYS 10 2HB CYS 10 0.214 -4.801 -4.274
71 HB3 CYS 10 1HB CYS 10 1.609 -5.717 -3.705
72 H ALA 11 H ALA 11 2.926 -6.518 -4.448
73 HA ALA 11 HA ALA 11 3.779 -7.435 -7.066
74 HB1 ALA 11 1HB ALA 11 4.542 -7.964 -4.418
75 HB2 ALA 11 2HB ALA 11 5.178 -8.721 -5.878
76 HB3 ALA 11 3HB ALA 11 3.836 -9.469 -5.012
77 H THR 12 H THR 12 3.143 -9.585 -7.867
78 HA THR 12 HA THR 12 0.361 -9.803 -8.197
79 HB THR 12 HB THR 12 2.416 -11.985 -8.605
80 HG1 THR 12 1HG THR 12 1.483 -10.089 -10.481
81 HG21 THR 12 3HG2 THR 12 0.116 -12.774 -8.727
82 HG22 THR 12 1HG2 THR 12 0.800 -12.715 -10.352
83 HG23 THR 12 2HG2 THR 12 -0.310 -11.452 -9.815
84 H ARG 13 H ARG 13 2.597 -11.577 -6.107
85 HA ARG 13 HA ARG 13 0.794 -13.456 -5.080
86 HB2 ARG 13 2HB ARG 13 3.198 -12.143 -3.789
87 HB3 ARG 13 1HB ARG 13 2.348 -13.533 -3.115
88 HG2 ARG 13 2HG ARG 13 3.430 -13.553 -5.934
89 HG3 ARG 13 1HG ARG 13 4.430 -14.019 -4.558
90 HD2 ARG 13 2HD ARG 13 2.623 -15.669 -3.920
91 HD3 ARG 13 1HD ARG 13 1.830 -15.298 -5.446
92 HE ARG 13 HE ARG 13 3.558 -16.415 -6.586
93 HH11 ARG 13 1HH2 ARG 13 4.097 -16.180 -3.176
94 HH12 ARG 13 2HH2 ARG 13 5.369 -17.356 -3.156
95 HH21 ARG 13 1HH1 ARG 13 5.225 -17.957 -6.569
96 HH22 ARG 13 2HH1 ARG 13 6.007 -18.362 -5.077
97 H GLU 14 H GLU 14 1.268 -10.080 -4.330
98 HA GLU 14 HA GLU 14 -0.190 -10.090 -1.863
99 HB2 GLU 14 2HB GLU 14 -0.015 -7.628 -3.529
100 HB3 GLU 14 1HB GLU 14 0.225 -7.843 -1.795
101 HG2 GLU 14 2HG GLU 14 2.278 -9.327 -2.699
102 HG3 GLU 14 1HG GLU 14 2.149 -8.175 -4.026
103 H SER 15 H SER 15 -2.192 -8.674 -1.638
104 HA SER 15 HA SER 15 -4.009 -8.977 -3.940
105 HB2 SER 15 2HB SER 15 -5.768 -9.582 -2.137
106 HB3 SER 15 1HB SER 15 -4.645 -10.801 -2.705
107 HG SER 15 HG SER 15 -5.018 -10.078 -0.248
108 H LEU 16 H LEU 16 -5.210 -7.250 -4.317
109 HA LEU 16 HA LEU 16 -4.901 -4.913 -2.645
110 HB2 LEU 16 2HB LEU 16 -5.620 -5.425 -5.358
111 HB3 LEU 16 1HB LEU 16 -6.920 -4.495 -4.615
112 HG LEU 16 HG LEU 16 -5.115 -3.063 -5.612
113 HD11 LEU 16 1HD1 LEU 16 -4.709 -2.318 -2.857
114 HD12 LEU 16 2HD1 LEU 16 -6.368 -2.877 -3.073
115 HD13 LEU 16 3HD1 LEU 16 -5.746 -1.556 -4.064
116 HD21 LEU 16 3HD2 LEU 16 -3.288 -3.563 -3.357
117 HD22 LEU 16 1HD2 LEU 16 -2.922 -3.327 -5.067
118 HD23 LEU 16 2HD2 LEU 16 -3.414 -4.917 -4.482
119 H SER 17 H SER 17 -6.170 -4.306 -1.032
120 HA SER 17 HA SER 17 -8.771 -5.656 -0.723
121 HB2 SER 17 2HB SER 17 -8.583 -5.223 1.622
122 HB3 SER 17 1HB SER 17 -7.016 -5.825 1.096
123 HG SER 17 HG SER 17 -7.757 -3.346 2.030
124 H GLY 18 H GLY 18 -7.269 -2.583 -1.238
125 HA2 GLY 18 2HA GLY 18 -9.516 -1.220 -2.066
126 HA3 GLY 18 1HA GLY 18 -9.434 -0.947 -0.328
127 H VAL 19 H VAL 19 -9.242 1.304 -1.570
128 HA VAL 19 HA VAL 19 -6.431 1.893 -2.210
129 HB VAL 19 HB VAL 19 -8.470 2.696 -3.602
130 HG11 VAL 19 1HG1 VAL 19 -9.594 3.524 -1.414
131 HG12 VAL 19 2HG1 VAL 19 -9.675 4.573 -2.829
132 HG13 VAL 19 3HG1 VAL 19 -8.508 4.905 -1.549
133 HG21 VAL 19 3HG2 VAL 19 -6.269 3.537 -4.065
134 HG22 VAL 19 1HG2 VAL 19 -6.273 4.521 -2.602
135 HG23 VAL 19 2HG2 VAL 19 -7.330 4.943 -3.950
136 H CYS 20 H CYS 20 -5.173 2.475 -0.569
137 HA CYS 20 HA CYS 20 -6.183 3.333 1.974
138 HB2 CYS 20 2HB CYS 20 -3.514 2.868 0.750
139 HB3 CYS 20 1HB CYS 20 -3.592 3.862 2.205
140 H GLU 21 H GLU 21 -5.069 5.339 2.997
141 HA GLU 21 HA GLU 21 -4.897 7.586 1.119
142 HB2 GLU 21 2HB GLU 21 -6.839 7.429 3.436
143 HB3 GLU 21 1HB GLU 21 -6.437 8.918 2.582
144 HG2 GLU 21 2HG GLU 21 -8.355 8.199 1.447
145 HG3 GLU 21 1HG GLU 21 -7.056 7.565 0.437
146 H ILE 22 H ILE 22 -2.860 8.200 1.578
147 HA ILE 22 HA ILE 22 -2.202 8.749 4.412
148 HB ILE 22 HB ILE 22 -0.377 7.638 2.269
149 HG12 ILE 22 2HG1 ILE 22 -1.115 6.397 4.929
150 HG13 ILE 22 1HG1 ILE 22 -2.075 6.101 3.480
151 HG21 ILE 22 1HG2 ILE 22 0.998 9.048 3.564
152 HG22 ILE 22 2HG2 ILE 22 1.165 7.485 4.363
153 HG23 ILE 22 3HG2 ILE 22 0.100 8.714 5.045
154 HD11 ILE 22 3HD1 ILE 22 0.834 5.790 3.110
155 HD12 ILE 22 1HD1 ILE 22 -0.494 4.772 2.550
156 HD13 ILE 22 2HD1 ILE 22 0.096 4.618 4.205
157 H SER 23 H SER 23 -1.345 10.711 4.844
158 HA SER 23 HA SER 23 -0.690 12.890 4.526
159 HB2 SER 23 2HB SER 23 1.117 13.203 3.128
160 HB3 SER 23 1HB SER 23 1.133 11.448 3.245
161 HG SER 23 HG SER 23 0.847 12.953 1.088
162 H GLY 24 H GLY 24 -3.253 11.805 3.346
163 HA2 GLY 24 2HA GLY 24 -5.066 12.914 2.397
164 HA3 GLY 24 1HA GLY 24 -3.983 14.219 1.923
165 H ARG 25 H ARG 25 -2.601 11.343 1.005
166 HA ARG 25 HA ARG 25 -3.629 11.630 -1.742
167 HB2 ARG 25 2HB ARG 25 -1.275 12.081 -1.647
168 HB3 ARG 25 1HB ARG 25 -0.986 10.616 -0.714
169 HG2 ARG 25 2HG ARG 25 -1.714 9.230 -2.595
170 HG3 ARG 25 1HG ARG 25 -2.102 10.675 -3.531
171 HD2 ARG 25 2HD ARG 25 0.655 10.005 -2.476
172 HD3 ARG 25 1HD ARG 25 0.117 9.696 -4.123
173 HE ARG 25 HE ARG 25 0.799 12.278 -2.976
174 HH11 ARG 25 1HH2 ARG 25 -0.826 10.507 -5.467
175 HH12 ARG 25 2HH2 ARG 25 -0.819 11.820 -6.595
176 HH21 ARG 25 1HH1 ARG 25 0.810 14.004 -4.451
177 HH22 ARG 25 2HH1 ARG 25 0.107 13.800 -6.021
178 H LEU 26 H LEU 26 -4.026 9.748 -2.985
179 HA LEU 26 HA LEU 26 -5.197 7.611 -1.442
180 HB2 LEU 26 2HB LEU 26 -4.975 8.238 -4.379
181 HB3 LEU 26 1HB LEU 26 -5.580 6.673 -3.831
182 HG LEU 26 HG LEU 26 -7.326 8.520 -4.240
183 HD11 LEU 26 1HD1 LEU 26 -8.537 7.063 -3.025
184 HD12 LEU 26 2HD1 LEU 26 -7.994 7.872 -1.555
185 HD13 LEU 26 3HD1 LEU 26 -7.081 6.508 -2.199
186 HD21 LEU 26 3HD2 LEU 26 -5.860 10.230 -3.006
187 HD22 LEU 26 1HD2 LEU 26 -6.395 9.452 -1.517
188 HD23 LEU 26 2HD2 LEU 26 -7.572 10.217 -2.584
189 H TYR 27 H TYR 27 -4.364 5.677 -0.990
190 HA TYR 27 HA TYR 27 -1.820 4.887 -2.273
191 HB2 TYR 27 2HB TYR 27 -2.627 4.900 0.582
192 HB3 TYR 27 1HB TYR 27 -1.592 3.601 -0.007
193 HD1 TYR 27 2HD TYR 27 -1.902 7.329 -0.304
194 HD2 TYR 27 1HD TYR 27 0.697 3.931 0.027
195 HE1 TYR 27 2HE TYR 27 0.072 8.831 -0.240
196 HE2 TYR 27 1HE TYR 27 2.667 5.437 0.078
197 HH TYR 27 HH TYR 27 2.864 8.167 0.861
198 H ARG 28 H ARG 28 -1.437 2.557 -2.340
199 HA ARG 28 HA ARG 28 -3.965 1.118 -2.823
200 HB2 ARG 28 2HB ARG 28 -1.121 0.626 -3.749
201 HB3 ARG 28 1HB ARG 28 -2.446 -0.501 -4.041
202 HG2 ARG 28 2HG ARG 28 -2.529 0.762 -5.986
203 HG3 ARG 28 1HG ARG 28 -3.656 1.659 -4.968
204 HD2 ARG 28 2HD ARG 28 -1.801 3.171 -4.293
205 HD3 ARG 28 1HD ARG 28 -0.723 2.303 -5.382
206 HE ARG 28 HE ARG 28 -2.937 3.129 -6.882
207 HH11 ARG 28 1HH2 ARG 28 -0.327 4.479 -5.054
208 HH12 ARG 28 2HH2 ARG 28 -0.224 5.922 -6.006
209 HH21 ARG 28 1HH1 ARG 28 -2.810 5.020 -8.134
210 HH22 ARG 28 2HH1 ARG 28 -1.631 6.229 -7.750
211 H LEU 29 H LEU 29 -4.590 -0.495 -1.530
212 HA LEU 29 HA LEU 29 -2.733 -1.380 0.577
213 HB2 LEU 29 2HB LEU 29 -4.841 -0.478 1.390
214 HB3 LEU 29 1HB LEU 29 -5.747 -1.587 0.362
215 HG LEU 29 HG LEU 29 -4.872 -3.510 1.584
216 HD11 LEU 29 1HD1 LEU 29 -3.558 -2.780 3.777
217 HD12 LEU 29 2HD1 LEU 29 -3.118 -1.389 2.783
218 HD13 LEU 29 3HD1 LEU 29 -2.704 -3.020 2.254
219 HD21 LEU 29 3HD2 LEU 29 -5.582 -1.656 3.821
220 HD22 LEU 29 1HD2 LEU 29 -6.228 -3.250 3.436
221 HD23 LEU 29 2HD2 LEU 29 -6.755 -1.841 2.516
222 H CYS 30 H CYS 30 -1.613 -3.132 -0.024
223 HA CYS 30 HA CYS 30 -3.079 -5.283 -1.409
224 HB2 CYS 30 2HB CYS 30 -0.881 -6.057 -2.205
225 HB3 CYS 30 1HB CYS 30 -1.250 -4.428 -2.744
226 H CYS 31 H CYS 31 -2.882 -7.456 -0.637
227 HA CYS 31 HA CYS 31 -1.580 -7.666 2.001
228 HB2 CYS 31 2HB CYS 31 -4.091 -9.077 1.114
229 HB3 CYS 31 1HB CYS 31 -3.366 -9.118 2.709
230 H ARG 32 H ARG 32 -0.274 -9.386 2.313
231 HA ARG 32 HA ARG 32 -0.289 -11.547 0.306
232 HB2 ARG 32 2HB ARG 32 2.149 -11.460 0.129
233 HB3 ARG 32 1HB ARG 32 1.422 -9.938 -0.391
234 HG2 ARG 32 2HG ARG 32 1.747 -9.314 2.173
235 HG3 ARG 32 1HG ARG 32 3.013 -10.537 2.067
236 HD2 ARG 32 2HD ARG 32 2.745 -8.266 0.101
237 HD3 ARG 32 1HD ARG 32 3.745 -8.162 1.548
238 HE ARG 32 HE ARG 32 4.426 -10.500 0.094
239 HH11 ARG 32 1HH2 ARG 32 4.633 -7.045 -0.024
240 HH12 ARG 32 2HH2 ARG 32 6.083 -7.027 -0.971
241 HH21 ARG 32 1HH1 ARG 32 6.328 -10.481 -1.148
242 HH22 ARG 32 2HH1 ARG 32 7.043 -8.971 -1.607