Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
650168 | 6sab RC | 34418 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLN 1 H1 GLN 1 -16.397 6.597 0.298
2 H2 GLN 1 H2 GLN 1 -17.158 5.302 0.914
3 H3 GLN 1 H3 GLN 1 -17.536 5.828 -0.575
4 HA GLN 1 HA GLN 1 -16.203 3.860 -0.697
5 HB2 GLN 1 HB2 GLN 1 -14.767 6.370 -1.595
6 HB3 GLN 1 HB3 GLN 1 -14.443 4.748 -2.185
7 HG2 GLN 1 HG2 GLN 1 -16.772 4.643 -3.025
8 HG3 GLN 1 HG3 GLN 1 -16.978 6.323 -2.542
9 HE21 GLN 1 HE21 GLN 1 -14.014 5.029 -3.868
10 HE22 GLN 1 HE22 GLN 1 -14.086 5.889 -5.363
11 H MET 2 H MET 2 -13.527 3.665 -0.857
12 HA MET 2 HA MET 2 -11.721 3.068 0.353
13 HB2 MET 2 HB2 MET 2 -12.437 5.457 2.053
14 HB3 MET 2 HB3 MET 2 -10.931 4.562 2.143
15 HG2 MET 2 HG2 MET 2 -10.379 6.428 0.882
16 HG3 MET 2 HG3 MET 2 -10.637 5.176 -0.333
17 HE1 MET 2 HE1 MET 2 -11.896 8.352 -2.195
18 HE2 MET 2 HE2 MET 2 -10.840 6.942 -2.257
19 HE3 MET 2 HE3 MET 2 -10.526 8.229 -1.093
20 H ASP 3 H ASP 3 -12.602 1.130 1.013
21 HA ASP 3 HA ASP 3 -13.859 1.099 3.670
22 HB2 ASP 3 HB2 ASP 3 -15.425 0.904 1.692
23 HB3 ASP 3 HB3 ASP 3 -14.683 -0.659 1.373
24 H MET 4 H MET 4 -11.103 0.490 2.967
25 HA MET 4 HA MET 4 -9.467 -1.060 3.269
26 HB2 MET 4 HB2 MET 4 -9.619 -2.166 5.485
27 HB3 MET 4 HB3 MET 4 -9.964 -0.443 5.527
28 HG2 MET 4 HG2 MET 4 -12.313 -0.868 5.665
29 HG3 MET 4 HG3 MET 4 -12.053 -2.595 5.469
30 HE1 MET 4 HE1 MET 4 -13.270 -2.368 9.157
31 HE2 MET 4 HE2 MET 4 -13.485 -3.152 7.593
32 HE3 MET 4 HE3 MET 4 -13.830 -1.433 7.771
33 H ARG 5 H ARG 5 -11.222 -2.098 1.340
34 HA ARG 5 HA ARG 5 -11.138 -4.950 2.026
35 HB2 ARG 5 HB2 ARG 5 -13.136 -5.257 0.610
36 HB3 ARG 5 HB3 ARG 5 -13.435 -4.273 2.031
37 HG2 ARG 5 HG2 ARG 5 -13.402 -2.271 0.685
38 HG3 ARG 5 HG3 ARG 5 -12.978 -3.218 -0.743
39 HD2 ARG 5 HD2 ARG 5 -15.372 -2.645 -0.663
40 HD3 ARG 5 HD3 ARG 5 -15.088 -4.382 -0.653
41 HE ARG 5 HE ARG 5 -15.743 -2.819 1.774
42 HH11 ARG 5 HH11 ARG 5 -16.045 -5.721 -0.184
43 HH12 ARG 5 HH12 ARG 5 -17.168 -6.477 0.899
44 HH21 ARG 5 HH21 ARG 5 -17.203 -3.821 3.190
45 HH22 ARG 5 HH22 ARG 5 -17.818 -5.406 2.828
46 H CYS 6 H CYS 6 -9.043 -3.646 0.809
47 HA CYS 6 HA CYS 6 -7.552 -3.952 -0.877
48 HB2 CYS 6 HB2 CYS 6 -8.259 -6.360 -0.421
49 HB3 CYS 6 HB3 CYS 6 -9.315 -6.213 -1.816
50 H SER 7 H SER 7 -9.853 -2.262 -1.185
51 HA SER 7 HA SER 7 -9.535 -1.597 -3.933
52 HB2 SER 7 HB2 SER 7 -12.275 -2.512 -3.018
53 HB3 SER 7 HB3 SER 7 -11.871 -1.827 -4.580
54 HG SER 7 HG SER 7 -10.253 -3.886 -4.157
55 H ALA 8 H ALA 8 -9.256 -0.475 -1.196
56 HA ALA 8 HA ALA 8 -11.460 1.343 -0.850
57 HB1 ALA 8 HB1 ALA 8 -10.363 0.438 1.101
58 HB2 ALA 8 HB2 ALA 8 -10.169 2.191 1.065
59 HB3 ALA 8 HB3 ALA 8 -8.831 1.146 0.598
60 H SER 9 H SER 9 -8.861 1.333 -2.889
61 HA SER 9 HA SER 9 -8.108 2.867 -4.390
62 HB2 SER 9 HB2 SER 9 -10.242 4.669 -3.214
63 HB3 SER 9 HB3 SER 9 -9.420 4.895 -4.763
64 HG SER 9 HG SER 9 -11.468 3.166 -4.066
65 H VAL 10 H VAL 10 -6.827 2.669 -1.840
66 HA VAL 10 HA VAL 10 -5.332 5.091 -1.776
67 HB VAL 10 HB VAL 10 -7.389 5.906 -0.699
68 HG11 VAL 10 HG11 VAL 10 -6.781 3.848 1.415
69 HG12 VAL 10 HG12 VAL 10 -8.174 3.867 0.333
70 HG13 VAL 10 HG13 VAL 10 -7.988 5.127 1.553
71 HG21 VAL 10 HG21 VAL 10 -6.342 6.896 1.283
72 HG22 VAL 10 HG22 VAL 10 -5.276 6.938 -0.123
73 HG23 VAL 10 HG23 VAL 10 -5.016 5.742 1.147
74 H GLU 11 H GLU 11 -6.086 1.978 -0.389
75 HA GLU 11 HA GLU 11 -4.200 1.896 1.685
76 HB2 GLU 11 HB2 GLU 11 -4.773 -0.586 0.146
77 HB3 GLU 11 HB3 GLU 11 -4.724 -0.335 1.877
78 HG2 GLU 11 HG2 GLU 11 -6.940 -0.622 1.644
79 HG3 GLU 11 HG3 GLU 11 -6.869 1.115 1.345
80 H CYS 12 H CYS 12 -3.821 1.748 -1.715
81 HA CYS 12 HA CYS 12 -1.376 0.265 -1.727
82 HB2 CYS 12 HB2 CYS 12 -2.511 2.041 -3.893
83 HB3 CYS 12 HB3 CYS 12 -1.264 0.806 -4.084
84 H LYS 13 H LYS 13 -1.790 2.952 -0.229
85 HA LYS 13 HA LYS 13 0.844 3.954 -1.027
86 HB2 LYS 13 HB2 LYS 13 -1.311 5.691 0.184
87 HB3 LYS 13 HB3 LYS 13 0.209 6.203 -0.538
88 HG2 LYS 13 HG2 LYS 13 -1.861 4.804 -2.180
89 HG3 LYS 13 HG3 LYS 13 -1.983 6.532 -1.854
90 HD2 LYS 13 HD2 LYS 13 0.246 6.864 -2.824
91 HD3 LYS 13 HD3 LYS 13 0.363 5.133 -3.150
92 HE2 LYS 13 HE2 LYS 13 -0.276 6.319 -5.159
93 HE3 LYS 13 HE3 LYS 13 -1.604 5.297 -4.614
94 HZ1 LYS 13 HZ1 LYS 13 -2.329 7.501 -5.270
95 HZ2 LYS 13 HZ2 LYS 13 -1.407 8.183 -4.122
96 HZ3 LYS 13 HZ3 LYS 13 -2.652 7.229 -3.700
97 H GLN 14 H GLN 14 -1.490 4.185 1.668
98 HA GLN 14 HA GLN 14 0.463 4.714 3.620
99 HB2 GLN 14 HB2 GLN 14 -2.414 3.890 3.722
100 HB3 GLN 14 HB3 GLN 14 -1.463 3.925 5.199
101 HG2 GLN 14 HG2 GLN 14 -2.641 5.990 4.998
102 HG3 GLN 14 HG3 GLN 14 -0.925 6.289 4.751
103 HE21 GLN 14 HE21 GLN 14 -0.194 6.937 2.755
104 HE22 GLN 14 HE22 GLN 14 -1.255 7.462 1.496
105 H LYS 15 H LYS 15 -1.262 1.679 2.870
106 HA LYS 15 HA LYS 15 -0.080 0.086 4.831
107 HB2 LYS 15 HB2 LYS 15 -1.847 -0.312 2.758
108 HB3 LYS 15 HB3 LYS 15 -0.458 -1.281 2.287
109 HG2 LYS 15 HG2 LYS 15 -1.891 -1.486 4.928
110 HG3 LYS 15 HG3 LYS 15 -2.104 -2.574 3.559
111 HD2 LYS 15 HD2 LYS 15 0.274 -3.194 3.703
112 HD3 LYS 15 HD3 LYS 15 0.452 -2.134 5.104
113 HE2 LYS 15 HE2 LYS 15 -1.189 -3.467 6.324
114 HE3 LYS 15 HE3 LYS 15 -1.390 -4.514 4.921
115 HZ1 LYS 15 HZ1 LYS 15 0.924 -5.131 5.155
116 HZ2 LYS 15 HZ2 LYS 15 0.096 -5.486 6.505
117 HZ3 LYS 15 HZ3 LYS 15 1.076 -4.193 6.476
118 H CYS 16 H CYS 16 0.983 0.884 1.575
119 HA CYS 16 HA CYS 16 3.270 -0.804 1.602
120 HB2 CYS 16 HB2 CYS 16 2.015 0.338 -0.409
121 HB3 CYS 16 HB3 CYS 16 3.126 1.666 -0.091
122 H LEU 17 H LEU 17 2.624 2.475 2.601
123 HA LEU 17 HA LEU 17 5.320 3.278 2.931
124 HB2 LEU 17 HB2 LEU 17 2.650 4.334 3.388
125 HB3 LEU 17 HB3 LEU 17 3.784 4.831 4.619
126 HG LEU 17 HG LEU 17 4.259 5.193 1.663
127 HD11 LEU 17 HD11 LEU 17 3.229 7.182 3.675
128 HD12 LEU 17 HD12 LEU 17 2.310 6.473 2.347
129 HD13 LEU 17 HD13 LEU 17 3.679 7.532 2.005
130 HD21 LEU 17 HD21 LEU 17 6.300 5.170 2.949
131 HD22 LEU 17 HD22 LEU 17 5.627 6.324 4.099
132 HD23 LEU 17 HD23 LEU 17 5.947 6.821 2.437
133 H LYS 18 H LYS 18 2.939 1.743 4.959
134 HA LYS 18 HA LYS 18 4.575 1.798 7.320
135 HB2 LYS 18 HB2 LYS 18 2.140 0.127 6.669
136 HB3 LYS 18 HB3 LYS 18 2.863 0.309 8.262
137 HG2 LYS 18 HG2 LYS 18 2.270 2.627 8.336
138 HG3 LYS 18 HG3 LYS 18 1.723 2.588 6.659
139 HD2 LYS 18 HD2 LYS 18 -0.013 0.950 7.309
140 HD3 LYS 18 HD3 LYS 18 0.502 1.117 8.989
141 HE2 LYS 18 HE2 LYS 18 -0.543 3.347 7.247
142 HE3 LYS 18 HE3 LYS 18 -1.476 2.489 8.470
143 HZ1 LYS 18 HZ1 LYS 18 -0.614 4.555 9.306
144 HZ2 LYS 18 HZ2 LYS 18 0.913 4.108 8.989
145 HZ3 LYS 18 HZ3 LYS 18 0.058 3.315 10.119
146 H ALA 19 H ALA 19 4.093 -0.323 4.600
147 HA ALA 19 HA ALA 19 5.340 -2.616 5.726
148 HB1 ALA 19 HB1 ALA 19 3.799 -2.766 3.835
149 HB2 ALA 19 HB2 ALA 19 5.362 -3.495 3.460
150 HB3 ALA 19 HB3 ALA 19 4.956 -1.900 2.825
151 H ILE 20 H ILE 20 6.570 -0.656 2.984
152 HA ILE 20 HA ILE 20 9.280 -1.048 4.102
153 HB ILE 20 HB ILE 20 10.210 -1.172 1.878
154 HG12 ILE 20 HG12 ILE 20 7.377 -0.981 0.831
155 HG13 ILE 20 HG13 ILE 20 8.533 0.345 0.813
156 HG21 ILE 20 HG21 ILE 20 9.484 -3.266 2.860
157 HG22 ILE 20 HG22 ILE 20 9.238 -3.298 1.115
158 HG23 ILE 20 HG23 ILE 20 7.866 -3.044 2.193
159 HD11 ILE 20 HD11 ILE 20 9.978 -0.909 -0.675
160 HD12 ILE 20 HD12 ILE 20 8.355 -0.764 -1.353
161 HD13 ILE 20 HD13 ILE 20 8.869 -2.281 -0.615
162 H GLY 21 H GLY 21 6.969 1.207 3.384
163 HA2 GLY 21 HA2 GLY 21 7.219 3.533 3.652
164 HA3 GLY 21 HA3 GLY 21 8.946 3.355 3.381
165 H SER 22 H SER 22 6.097 2.401 1.482
166 HA SER 22 HA SER 22 7.117 4.015 -0.759
167 HB2 SER 22 HB2 SER 22 7.754 1.602 -1.007
168 HB3 SER 22 HB3 SER 22 6.049 1.179 -0.965
169 HG SER 22 HG SER 22 7.495 2.573 -2.942
170 H ILE 23 H ILE 23 5.467 4.531 -2.355
171 HA ILE 23 HA ILE 23 2.743 4.402 -1.248
172 HB ILE 23 HB ILE 23 2.228 6.451 -2.507
173 HG12 ILE 23 HG12 ILE 23 5.202 6.591 -3.032
174 HG13 ILE 23 HG13 ILE 23 3.999 6.158 -4.242
175 HG21 ILE 23 HG21 ILE 23 3.466 7.996 -1.059
176 HG22 ILE 23 HG22 ILE 23 4.563 6.684 -0.620
177 HG23 ILE 23 HG23 ILE 23 2.858 6.599 -0.171
178 HD11 ILE 23 HD11 ILE 23 2.976 8.345 -4.017
179 HD12 ILE 23 HD12 ILE 23 4.683 8.476 -4.442
180 HD13 ILE 23 HD13 ILE 23 4.157 8.779 -2.785
181 H PHE 24 H PHE 24 4.035 2.419 -2.850
182 HA PHE 24 HA PHE 24 2.352 2.510 -5.256
183 HB2 PHE 24 HB2 PHE 24 5.183 1.449 -5.181
184 HB3 PHE 24 HB3 PHE 24 4.153 1.628 -6.598
185 HD1 PHE 24 HD1 PHE 24 3.730 3.823 -7.553
186 HD2 PHE 24 HD2 PHE 24 6.286 3.350 -4.194
187 HE1 PHE 24 HE1 PHE 24 4.609 6.089 -7.909
188 HE2 PHE 24 HE2 PHE 24 7.182 5.604 -4.539
189 HZ PHE 24 HZ PHE 24 6.344 6.984 -6.408
190 H GLY 25 H GLY 25 1.428 1.369 -3.109
191 HA2 GLY 25 HA2 GLY 25 2.203 -1.327 -2.641
192 HA3 GLY 25 HA3 GLY 25 0.743 -0.531 -2.064
193 H LYS 26 H LYS 26 0.896 -3.207 -2.935
194 HA LYS 26 HA LYS 26 -0.732 -3.134 -5.401
195 HB2 LYS 26 HB2 LYS 26 1.066 -5.342 -4.372
196 HB3 LYS 26 HB3 LYS 26 0.044 -5.457 -5.797
197 HG2 LYS 26 HG2 LYS 26 2.297 -3.493 -5.448
198 HG3 LYS 26 HG3 LYS 26 2.405 -5.018 -6.330
199 HD2 LYS 26 HD2 LYS 26 0.634 -4.240 -7.851
200 HD3 LYS 26 HD3 LYS 26 0.576 -2.707 -6.980
201 HE2 LYS 26 HE2 LYS 26 1.907 -2.497 -9.007
202 HE3 LYS 26 HE3 LYS 26 2.912 -2.283 -7.575
203 HZ1 LYS 26 HZ1 LYS 26 2.729 -4.726 -9.189
204 HZ2 LYS 26 HZ2 LYS 26 3.622 -4.572 -7.842
205 HZ3 LYS 26 HZ3 LYS 26 3.988 -3.694 -9.158
206 H CYS 27 H CYS 27 -2.725 -3.878 -5.255
207 HA CYS 27 HA CYS 27 -4.176 -4.180 -2.990
208 HB2 CYS 27 HB2 CYS 27 -5.248 -3.905 -5.101
209 HB3 CYS 27 HB3 CYS 27 -4.583 -5.414 -5.713
210 H MET 28 H MET 28 -3.628 -5.457 -1.315
211 HA MET 28 HA MET 28 -3.818 -8.321 -1.541
212 HB2 MET 28 HB2 MET 28 -1.147 -7.019 -1.037
213 HB3 MET 28 HB3 MET 28 -1.509 -8.630 -0.439
214 HG2 MET 28 HG2 MET 28 -1.566 -7.781 -3.324
215 HG3 MET 28 HG3 MET 28 -0.262 -8.669 -2.539
216 HE1 MET 28 HE1 MET 28 -1.842 -9.591 -5.223
217 HE2 MET 28 HE2 MET 28 -1.949 -11.321 -4.907
218 HE3 MET 28 HE3 MET 28 -0.469 -10.446 -4.525
219 H ASN 29 H ASN 29 -4.221 -9.288 0.424
220 HA ASN 29 HA ASN 29 -4.732 -9.533 2.622
221 HB2 ASN 29 HB2 ASN 29 -2.606 -7.408 2.967
222 HB3 ASN 29 HB3 ASN 29 -3.288 -8.366 4.276
223 HD21 ASN 29 HD21 ASN 29 -0.531 -8.173 3.292
224 HD22 ASN 29 HD22 ASN 29 -0.068 -9.789 2.873
225 H LYS 30 H LYS 30 -6.463 -7.935 1.207
226 HA LYS 30 HA LYS 30 -8.259 -6.590 1.504
227 HB2 LYS 30 HB2 LYS 30 -7.382 -6.652 4.387
228 HB3 LYS 30 HB3 LYS 30 -8.840 -5.838 3.839
229 HG2 LYS 30 HG2 LYS 30 -8.246 -8.780 3.571
230 HG3 LYS 30 HG3 LYS 30 -9.353 -8.036 4.726
231 HD2 LYS 30 HD2 LYS 30 -10.710 -7.190 2.864
232 HD3 LYS 30 HD3 LYS 30 -9.615 -7.970 1.722
233 HE2 LYS 30 HE2 LYS 30 -10.161 -10.153 2.739
234 HE3 LYS 30 HE3 LYS 30 -11.317 -9.343 3.796
235 HZ1 LYS 30 HZ1 LYS 30 -12.523 -8.661 1.851
236 HZ2 LYS 30 HZ2 LYS 30 -12.371 -10.277 1.854
237 HZ3 LYS 30 HZ3 LYS 30 -11.446 -9.380 0.867
238 H LYS 31 H LYS 31 -5.197 -5.588 1.698
239 HA LYS 31 HA LYS 31 -5.998 -2.788 1.397
240 HB2 LYS 31 HB2 LYS 31 -3.660 -3.789 3.036
241 HB3 LYS 31 HB3 LYS 31 -3.868 -2.116 2.549
242 HG2 LYS 31 HG2 LYS 31 -5.744 -3.666 4.318
243 HG3 LYS 31 HG3 LYS 31 -4.534 -2.498 4.856
244 HD2 LYS 31 HD2 LYS 31 -5.680 -0.777 3.494
245 HD3 LYS 31 HD3 LYS 31 -6.936 -1.963 3.127
246 HE2 LYS 31 HE2 LYS 31 -7.605 -0.500 4.966
247 HE3 LYS 31 HE3 LYS 31 -7.446 -2.172 5.499
248 HZ1 LYS 31 HZ1 LYS 31 -5.438 -0.071 5.907
249 HZ2 LYS 31 HZ2 LYS 31 -5.307 -1.610 6.414
250 HZ3 LYS 31 HZ3 LYS 31 -6.448 -0.644 7.047
251 H CYS 32 H CYS 32 -2.757 -2.848 1.437
252 HA CYS 32 HA CYS 32 -2.300 -4.120 -1.127
253 HB2 CYS 32 HB2 CYS 32 -1.814 -1.206 -0.554
254 HB3 CYS 32 HB3 CYS 32 -1.024 -2.061 -1.876
255 H LYS 33 H LYS 33 -0.062 -4.549 -1.507
256 HA LYS 33 HA LYS 33 1.613 -4.339 0.916
257 HB2 LYS 33 HB2 LYS 33 2.310 -6.542 0.673
258 HB3 LYS 33 HB3 LYS 33 0.635 -6.641 0.141
259 HG2 LYS 33 HG2 LYS 33 1.282 -6.634 -2.159
260 HG3 LYS 33 HG3 LYS 33 2.964 -6.318 -1.732
261 HD2 LYS 33 HD2 LYS 33 2.997 -8.502 -0.533
262 HD3 LYS 33 HD3 LYS 33 1.376 -8.816 -1.158
263 HE2 LYS 33 HE2 LYS 33 2.967 -9.910 -2.582
264 HE3 LYS 33 HE3 LYS 33 2.275 -8.548 -3.460
265 HZ1 LYS 33 HZ1 LYS 33 4.274 -7.287 -2.854
266 HZ2 LYS 33 HZ2 LYS 33 4.617 -8.587 -3.770
267 HZ3 LYS 33 HZ3 LYS 33 4.912 -8.627 -2.176
268 H CYS 34 H CYS 34 3.947 -4.308 0.478
269 HA CYS 34 HA CYS 34 4.612 -3.328 -2.198
270 HB2 CYS 34 HB2 CYS 34 6.518 -3.629 0.125
271 HB3 CYS 34 HB3 CYS 34 6.684 -2.596 -1.295
Start of MODEL 2
1 H1 GLN 1 H1 GLN 1 -15.468 8.991 0.739
2 H2 GLN 1 H2 GLN 1 -15.051 9.461 2.239
3 H3 GLN 1 H3 GLN 1 -16.054 8.199 2.034
4 HA GLN 1 HA GLN 1 -13.248 8.281 1.216
5 HB2 GLN 1 HB2 GLN 1 -13.813 8.087 3.722
6 HB3 GLN 1 HB3 GLN 1 -14.490 6.515 3.315
7 HG2 GLN 1 HG2 GLN 1 -12.180 6.419 4.192
8 HG3 GLN 1 HG3 GLN 1 -12.376 5.698 2.594
9 HE21 GLN 1 HE21 GLN 1 -11.041 8.354 4.399
10 HE22 GLN 1 HE22 GLN 1 -10.008 8.941 3.142
11 H MET 2 H MET 2 -12.469 6.289 0.380
12 HA MET 2 HA MET 2 -14.548 4.706 -0.937
13 HB2 MET 2 HB2 MET 2 -11.575 4.903 -1.440
14 HB3 MET 2 HB3 MET 2 -12.701 3.948 -2.391
15 HG2 MET 2 HG2 MET 2 -12.753 6.942 -2.101
16 HG3 MET 2 HG3 MET 2 -12.072 6.061 -3.464
17 HE1 MET 2 HE1 MET 2 -15.224 4.409 -5.063
18 HE2 MET 2 HE2 MET 2 -14.162 3.684 -3.860
19 HE3 MET 2 HE3 MET 2 -13.480 4.644 -5.171
20 H ASP 3 H ASP 3 -14.297 2.373 -0.934
21 HA ASP 3 HA ASP 3 -14.060 1.290 1.611
22 HB2 ASP 3 HB2 ASP 3 -15.269 0.281 -0.377
23 HB3 ASP 3 HB3 ASP 3 -13.701 -0.269 -0.956
24 H MET 4 H MET 4 -12.451 0.356 2.746
25 HA MET 4 HA MET 4 -9.826 1.199 2.240
26 HB2 MET 4 HB2 MET 4 -10.956 -0.748 4.212
27 HB3 MET 4 HB3 MET 4 -9.257 -0.311 4.181
28 HG2 MET 4 HG2 MET 4 -9.836 2.017 4.568
29 HG3 MET 4 HG3 MET 4 -11.547 1.600 4.568
30 HE1 MET 4 HE1 MET 4 -11.893 -0.553 7.796
31 HE2 MET 4 HE2 MET 4 -11.604 -1.142 6.161
32 HE3 MET 4 HE3 MET 4 -12.732 0.185 6.434
33 H ARG 5 H ARG 5 -11.447 -1.322 0.849
34 HA ARG 5 HA ARG 5 -9.363 -3.244 0.655
35 HB2 ARG 5 HB2 ARG 5 -12.068 -2.849 -0.427
36 HB3 ARG 5 HB3 ARG 5 -10.992 -3.814 -1.421
37 HG2 ARG 5 HG2 ARG 5 -10.616 -5.351 0.377
38 HG3 ARG 5 HG3 ARG 5 -11.523 -4.325 1.491
39 HD2 ARG 5 HD2 ARG 5 -12.637 -5.718 -0.936
40 HD3 ARG 5 HD3 ARG 5 -12.852 -6.229 0.734
41 HE ARG 5 HE ARG 5 -13.723 -3.587 0.541
42 HH11 ARG 5 HH11 ARG 5 -14.612 -6.750 -0.676
43 HH12 ARG 5 HH12 ARG 5 -16.298 -6.364 -0.808
44 HH21 ARG 5 HH21 ARG 5 -15.933 -3.075 0.377
45 HH22 ARG 5 HH22 ARG 5 -17.052 -4.277 -0.199
46 H CYS 6 H CYS 6 -7.897 -1.280 0.094
47 HA CYS 6 HA CYS 6 -6.213 -0.727 -1.299
48 HB2 CYS 6 HB2 CYS 6 -6.248 -3.009 -2.129
49 HB3 CYS 6 HB3 CYS 6 -7.546 -2.605 -3.245
50 H SER 7 H SER 7 -9.422 -0.542 -2.568
51 HA SER 7 HA SER 7 -8.687 1.568 -4.435
52 HB2 SER 7 HB2 SER 7 -10.268 -0.271 -5.090
53 HB3 SER 7 HB3 SER 7 -11.409 0.349 -3.899
54 HG SER 7 HG SER 7 -11.225 2.398 -5.102
55 H ALA 8 H ALA 8 -8.550 1.867 -1.498
56 HA ALA 8 HA ALA 8 -10.778 3.501 -0.686
57 HB1 ALA 8 HB1 ALA 8 -8.202 3.276 0.806
58 HB2 ALA 8 HB2 ALA 8 -9.341 1.939 0.744
59 HB3 ALA 8 HB3 ALA 8 -9.839 3.485 1.430
60 H SER 9 H SER 9 -8.324 4.161 -2.694
61 HA SER 9 HA SER 9 -7.255 6.011 -3.426
62 HB2 SER 9 HB2 SER 9 -9.479 7.370 -1.888
63 HB3 SER 9 HB3 SER 9 -8.379 8.202 -2.989
64 HG SER 9 HG SER 9 -9.494 5.991 -4.126
65 H VAL 10 H VAL 10 -6.477 4.792 -0.842
66 HA VAL 10 HA VAL 10 -4.455 6.609 -0.142
67 HB VAL 10 HB VAL 10 -6.307 7.811 0.958
68 HG11 VAL 10 HG11 VAL 10 -7.353 6.891 2.972
69 HG12 VAL 10 HG12 VAL 10 -6.544 5.351 2.684
70 HG13 VAL 10 HG13 VAL 10 -7.744 5.944 1.537
71 HG21 VAL 10 HG21 VAL 10 -4.298 6.621 2.859
72 HG22 VAL 10 HG22 VAL 10 -5.212 8.106 3.120
73 HG23 VAL 10 HG23 VAL 10 -4.039 8.010 1.805
74 H GLU 11 H GLU 11 -6.366 3.800 0.816
75 HA GLU 11 HA GLU 11 -4.585 2.808 2.759
76 HB2 GLU 11 HB2 GLU 11 -6.729 1.481 1.120
77 HB3 GLU 11 HB3 GLU 11 -5.769 0.593 2.293
78 HG2 GLU 11 HG2 GLU 11 -7.445 3.009 2.921
79 HG3 GLU 11 HG3 GLU 11 -7.944 1.337 3.170
80 H CYS 12 H CYS 12 -4.759 2.324 -0.720
81 HA CYS 12 HA CYS 12 -2.857 0.195 -0.763
82 HB2 CYS 12 HB2 CYS 12 -4.599 0.748 -2.562
83 HB3 CYS 12 HB3 CYS 12 -3.491 2.009 -3.088
84 H LYS 13 H LYS 13 -2.569 3.410 -0.096
85 HA LYS 13 HA LYS 13 0.134 3.681 -1.192
86 HB2 LYS 13 HB2 LYS 13 -1.516 5.708 0.336
87 HB3 LYS 13 HB3 LYS 13 -0.037 6.019 -0.558
88 HG2 LYS 13 HG2 LYS 13 -2.530 5.018 -1.891
89 HG3 LYS 13 HG3 LYS 13 -2.219 6.729 -1.628
90 HD2 LYS 13 HD2 LYS 13 -0.087 6.474 -2.875
91 HD3 LYS 13 HD3 LYS 13 -0.545 4.809 -3.233
92 HE2 LYS 13 HE2 LYS 13 -1.106 6.220 -5.107
93 HE3 LYS 13 HE3 LYS 13 -2.583 5.644 -4.340
94 HZ1 LYS 13 HZ1 LYS 13 -1.405 8.293 -3.878
95 HZ2 LYS 13 HZ2 LYS 13 -2.824 7.759 -3.294
96 HZ3 LYS 13 HZ3 LYS 13 -2.647 8.001 -4.891
97 H GLN 14 H GLN 14 -1.602 4.185 1.863
98 HA GLN 14 HA GLN 14 0.773 4.607 3.367
99 HB2 GLN 14 HB2 GLN 14 -2.063 4.069 4.263
100 HB3 GLN 14 HB3 GLN 14 -0.758 4.589 5.320
101 HG2 GLN 14 HG2 GLN 14 -1.814 6.145 2.970
102 HG3 GLN 14 HG3 GLN 14 -2.234 6.430 4.659
103 HE21 GLN 14 HE21 GLN 14 0.208 6.746 2.222
104 HE22 GLN 14 HE22 GLN 14 1.261 7.779 3.123
105 H LYS 15 H LYS 15 -1.261 1.785 2.805
106 HA LYS 15 HA LYS 15 -0.273 0.267 4.969
107 HB2 LYS 15 HB2 LYS 15 -1.914 -0.269 2.598
108 HB3 LYS 15 HB3 LYS 15 -1.023 -1.652 3.231
109 HG2 LYS 15 HG2 LYS 15 -3.261 -1.481 4.199
110 HG3 LYS 15 HG3 LYS 15 -2.004 -1.325 5.418
111 HD2 LYS 15 HD2 LYS 15 -2.276 1.225 5.005
112 HD3 LYS 15 HD3 LYS 15 -3.831 0.768 4.309
113 HE2 LYS 15 HE2 LYS 15 -2.891 0.081 7.094
114 HE3 LYS 15 HE3 LYS 15 -4.004 1.384 6.688
115 HZ1 LYS 15 HZ1 LYS 15 -4.506 -1.462 6.190
116 HZ2 LYS 15 HZ2 LYS 15 -5.545 -0.242 5.890
117 HZ3 LYS 15 HZ3 LYS 15 -5.135 -0.607 7.423
118 H CYS 16 H CYS 16 0.900 0.732 1.695
119 HA CYS 16 HA CYS 16 2.984 -1.235 2.104
120 HB2 CYS 16 HB2 CYS 16 2.023 0.409 -0.175
121 HB3 CYS 16 HB3 CYS 16 3.694 -0.141 -0.208
122 H LEU 17 H LEU 17 2.471 2.079 2.639
123 HA LEU 17 HA LEU 17 5.219 2.869 2.603
124 HB2 LEU 17 HB2 LEU 17 3.088 4.346 2.437
125 HB3 LEU 17 HB3 LEU 17 3.046 4.228 4.184
126 HG LEU 17 HG LEU 17 5.473 5.256 2.736
127 HD11 LEU 17 HD11 LEU 17 4.623 7.521 3.152
128 HD12 LEU 17 HD12 LEU 17 3.089 6.832 3.685
129 HD13 LEU 17 HD13 LEU 17 3.617 6.625 2.016
130 HD21 LEU 17 HD21 LEU 17 5.773 4.628 5.078
131 HD22 LEU 17 HD22 LEU 17 4.429 5.673 5.535
132 HD23 LEU 17 HD23 LEU 17 5.902 6.374 4.867
133 H LYS 18 H LYS 18 2.904 1.751 5.021
134 HA LYS 18 HA LYS 18 4.775 1.768 7.169
135 HB2 LYS 18 HB2 LYS 18 2.253 0.132 6.840
136 HB3 LYS 18 HB3 LYS 18 3.153 0.332 8.336
137 HG2 LYS 18 HG2 LYS 18 2.709 2.773 8.200
138 HG3 LYS 18 HG3 LYS 18 1.671 2.456 6.811
139 HD2 LYS 18 HD2 LYS 18 1.295 1.366 9.601
140 HD3 LYS 18 HD3 LYS 18 0.365 2.666 8.864
141 HE2 LYS 18 HE2 LYS 18 -1.048 0.896 8.517
142 HE3 LYS 18 HE3 LYS 18 -0.114 0.852 7.026
143 HZ1 LYS 18 HZ1 LYS 18 0.389 -0.815 9.386
144 HZ2 LYS 18 HZ2 LYS 18 1.238 -0.874 8.004
145 HZ3 LYS 18 HZ3 LYS 18 -0.323 -1.322 8.016
146 H ALA 19 H ALA 19 3.831 -0.532 4.701
147 HA ALA 19 HA ALA 19 5.185 -2.796 5.608
148 HB1 ALA 19 HB1 ALA 19 3.601 -2.801 3.733
149 HB2 ALA 19 HB2 ALA 19 5.137 -3.557 3.304
150 HB3 ALA 19 HB3 ALA 19 4.775 -1.922 2.752
151 H ILE 20 H ILE 20 6.344 -0.476 3.144
152 HA ILE 20 HA ILE 20 9.084 -0.954 4.103
153 HB ILE 20 HB ILE 20 9.892 -0.879 1.746
154 HG12 ILE 20 HG12 ILE 20 6.977 -1.310 1.065
155 HG13 ILE 20 HG13 ILE 20 7.860 0.189 0.796
156 HG21 ILE 20 HG21 ILE 20 9.324 -3.203 1.230
157 HG22 ILE 20 HG22 ILE 20 8.034 -3.149 2.431
158 HG23 ILE 20 HG23 ILE 20 9.716 -2.988 2.935
159 HD11 ILE 20 HD11 ILE 20 9.344 -0.965 -0.754
160 HD12 ILE 20 HD12 ILE 20 7.656 -1.096 -1.248
161 HD13 ILE 20 HD13 ILE 20 8.461 -2.467 -0.481
162 H GLY 21 H GLY 21 6.782 1.192 2.580
163 HA2 GLY 21 HA2 GLY 21 7.170 3.588 3.239
164 HA3 GLY 21 HA3 GLY 21 8.807 3.342 2.650
165 H SER 22 H SER 22 6.602 1.640 0.789
166 HA SER 22 HA SER 22 6.745 3.680 -1.306
167 HB2 SER 22 HB2 SER 22 7.690 1.410 -1.788
168 HB3 SER 22 HB3 SER 22 6.078 0.737 -1.563
169 HG SER 22 HG SER 22 7.103 1.751 -3.764
170 H ILE 23 H ILE 23 4.935 4.609 -2.100
171 HA ILE 23 HA ILE 23 2.411 3.960 -0.821
172 HB ILE 23 HB ILE 23 1.521 5.923 -1.898
173 HG12 ILE 23 HG12 ILE 23 4.193 6.181 -3.293
174 HG13 ILE 23 HG13 ILE 23 2.712 5.628 -4.068
175 HG21 ILE 23 HG21 ILE 23 2.794 6.253 0.137
176 HG22 ILE 23 HG22 ILE 23 3.017 7.624 -0.950
177 HG23 ILE 23 HG23 ILE 23 4.282 6.403 -0.798
178 HD11 ILE 23 HD11 ILE 23 3.160 7.962 -4.560
179 HD12 ILE 23 HD12 ILE 23 3.148 8.331 -2.835
180 HD13 ILE 23 HD13 ILE 23 1.673 7.779 -3.627
181 H PHE 24 H PHE 24 4.074 2.796 -3.374
182 HA PHE 24 HA PHE 24 1.809 2.556 -5.188
183 HB2 PHE 24 HB2 PHE 24 4.629 1.560 -5.618
184 HB3 PHE 24 HB3 PHE 24 3.403 1.885 -6.841
185 HD1 PHE 24 HD1 PHE 24 5.909 3.340 -4.631
186 HD2 PHE 24 HD2 PHE 24 2.867 4.176 -7.489
187 HE1 PHE 24 HE1 PHE 24 6.767 5.627 -4.863
188 HE2 PHE 24 HE2 PHE 24 3.722 6.472 -7.727
189 HZ PHE 24 HZ PHE 24 5.674 7.199 -6.413
190 H GLY 25 H GLY 25 0.969 1.284 -3.249
191 HA2 GLY 25 HA2 GLY 25 2.028 -1.171 -2.486
192 HA3 GLY 25 HA3 GLY 25 0.375 -0.652 -2.242
193 H LYS 26 H LYS 26 1.389 -3.275 -2.739
194 HA LYS 26 HA LYS 26 0.208 -3.938 -5.348
195 HB2 LYS 26 HB2 LYS 26 1.639 -5.664 -3.312
196 HB3 LYS 26 HB3 LYS 26 1.031 -6.225 -4.864
197 HG2 LYS 26 HG2 LYS 26 3.119 -4.082 -4.536
198 HG3 LYS 26 HG3 LYS 26 3.463 -5.781 -4.861
199 HD2 LYS 26 HD2 LYS 26 1.777 -4.016 -6.631
200 HD3 LYS 26 HD3 LYS 26 3.495 -4.330 -6.888
201 HE2 LYS 26 HE2 LYS 26 1.298 -6.400 -6.848
202 HE3 LYS 26 HE3 LYS 26 2.100 -5.774 -8.284
203 HZ1 LYS 26 HZ1 LYS 26 3.083 -7.824 -7.691
204 HZ2 LYS 26 HZ2 LYS 26 3.327 -7.368 -6.153
205 HZ3 LYS 26 HZ3 LYS 26 4.175 -6.667 -7.348
206 H CYS 27 H CYS 27 -1.957 -3.960 -5.198
207 HA CYS 27 HA CYS 27 -3.612 -4.314 -3.079
208 HB2 CYS 27 HB2 CYS 27 -4.069 -5.308 -5.895
209 HB3 CYS 27 HB3 CYS 27 -5.330 -5.077 -4.688
210 H MET 28 H MET 28 -3.336 -5.810 -1.556
211 HA MET 28 HA MET 28 -4.018 -8.544 -2.055
212 HB2 MET 28 HB2 MET 28 -1.163 -7.783 -1.588
213 HB3 MET 28 HB3 MET 28 -1.772 -9.240 -0.820
214 HG2 MET 28 HG2 MET 28 -1.765 -8.661 -3.772
215 HG3 MET 28 HG3 MET 28 -0.661 -9.738 -2.917
216 HE1 MET 28 HE1 MET 28 -2.218 -10.700 -5.453
217 HE2 MET 28 HE2 MET 28 -2.822 -12.274 -4.935
218 HE3 MET 28 HE3 MET 28 -1.188 -11.772 -4.504
219 H ASN 29 H ASN 29 -4.445 -9.665 -0.091
220 HA ASN 29 HA ASN 29 -5.379 -9.756 1.978
221 HB2 ASN 29 HB2 ASN 29 -2.927 -8.101 2.521
222 HB3 ASN 29 HB3 ASN 29 -4.059 -8.496 3.808
223 HD21 ASN 29 HD21 ASN 29 -1.306 -9.264 3.549
224 HD22 ASN 29 HD22 ASN 29 -1.270 -10.994 3.532
225 H LYS 30 H LYS 30 -6.621 -8.078 0.303
226 HA LYS 30 HA LYS 30 -8.304 -6.585 0.266
227 HB2 LYS 30 HB2 LYS 30 -7.740 -6.172 3.202
228 HB3 LYS 30 HB3 LYS 30 -9.146 -5.570 2.336
229 HG2 LYS 30 HG2 LYS 30 -8.430 -8.472 2.701
230 HG3 LYS 30 HG3 LYS 30 -9.651 -7.590 3.617
231 HD2 LYS 30 HD2 LYS 30 -10.954 -7.229 1.618
232 HD3 LYS 30 HD3 LYS 30 -9.694 -7.961 0.623
233 HE2 LYS 30 HE2 LYS 30 -11.212 -9.394 2.796
234 HE3 LYS 30 HE3 LYS 30 -11.612 -9.471 1.082
235 HZ1 LYS 30 HZ1 LYS 30 -9.083 -10.355 2.276
236 HZ2 LYS 30 HZ2 LYS 30 -9.446 -10.426 0.695
237 HZ3 LYS 30 HZ3 LYS 30 -10.277 -11.331 1.759
238 H LYS 31 H LYS 31 -5.315 -5.505 1.812
239 HA LYS 31 HA LYS 31 -5.806 -2.857 0.628
240 HB2 LYS 31 HB2 LYS 31 -4.010 -3.685 2.903
241 HB3 LYS 31 HB3 LYS 31 -3.805 -2.153 2.072
242 HG2 LYS 31 HG2 LYS 31 -5.059 -1.754 4.049
243 HG3 LYS 31 HG3 LYS 31 -6.151 -1.582 2.675
244 HD2 LYS 31 HD2 LYS 31 -7.263 -2.811 4.430
245 HD3 LYS 31 HD3 LYS 31 -6.952 -3.886 3.064
246 HE2 LYS 31 HE2 LYS 31 -5.027 -4.824 4.199
247 HE3 LYS 31 HE3 LYS 31 -5.230 -3.697 5.537
248 HZ1 LYS 31 HZ1 LYS 31 -7.371 -4.745 5.956
249 HZ2 LYS 31 HZ2 LYS 31 -6.148 -5.806 6.094
250 HZ3 LYS 31 HZ3 LYS 31 -7.091 -5.826 4.774
251 H CYS 32 H CYS 32 -2.590 -3.441 1.456
252 HA CYS 32 HA CYS 32 -1.827 -4.453 -1.143
253 HB2 CYS 32 HB2 CYS 32 -1.209 -1.647 -0.231
254 HB3 CYS 32 HB3 CYS 32 -0.239 -2.477 -1.442
255 H LYS 33 H LYS 33 0.294 -5.196 -1.229
256 HA LYS 33 HA LYS 33 1.768 -5.184 1.332
257 HB2 LYS 33 HB2 LYS 33 1.824 -7.388 -0.709
258 HB3 LYS 33 HB3 LYS 33 2.503 -7.411 0.916
259 HG2 LYS 33 HG2 LYS 33 0.232 -7.315 1.836
260 HG3 LYS 33 HG3 LYS 33 -0.408 -7.354 0.187
261 HD2 LYS 33 HD2 LYS 33 -0.490 -9.587 1.046
262 HD3 LYS 33 HD3 LYS 33 0.808 -9.504 -0.146
263 HE2 LYS 33 HE2 LYS 33 2.424 -9.207 1.713
264 HE3 LYS 33 HE3 LYS 33 1.103 -9.450 2.852
265 HZ1 LYS 33 HZ1 LYS 33 2.034 -11.408 0.877
266 HZ2 LYS 33 HZ2 LYS 33 0.793 -11.637 1.899
267 HZ3 LYS 33 HZ3 LYS 33 2.301 -11.475 2.481
268 H CYS 34 H CYS 34 3.898 -4.744 1.211
269 HA CYS 34 HA CYS 34 5.254 -4.886 -1.358
270 HB2 CYS 34 HB2 CYS 34 5.141 -2.342 0.272
271 HB3 CYS 34 HB3 CYS 34 6.205 -2.608 -1.108
Start of MODEL 3
1 H1 GLN 1 H1 GLN 1 -12.574 9.869 4.204
2 H2 GLN 1 H2 GLN 1 -13.539 8.739 4.863
3 H3 GLN 1 H3 GLN 1 -13.788 9.221 3.334
4 HA GLN 1 HA GLN 1 -11.731 8.297 2.613
5 HB2 GLN 1 HB2 GLN 1 -11.534 7.525 5.528
6 HB3 GLN 1 HB3 GLN 1 -10.534 6.815 4.270
7 HG2 GLN 1 HG2 GLN 1 -10.632 9.740 4.963
8 HG3 GLN 1 HG3 GLN 1 -9.392 8.608 5.495
9 HE21 GLN 1 HE21 GLN 1 -9.262 7.177 2.991
10 HE22 GLN 1 HE22 GLN 1 -8.491 8.227 1.853
11 H MET 2 H MET 2 -11.298 5.674 2.875
12 HA MET 2 HA MET 2 -13.964 4.437 2.864
13 HB2 MET 2 HB2 MET 2 -11.734 4.022 0.870
14 HB3 MET 2 HB3 MET 2 -13.216 3.080 0.929
15 HG2 MET 2 HG2 MET 2 -13.025 6.037 0.397
16 HG3 MET 2 HG3 MET 2 -13.274 4.783 -0.815
17 HE1 MET 2 HE1 MET 2 -15.409 6.058 -1.724
18 HE2 MET 2 HE2 MET 2 -15.153 7.325 -0.525
19 HE3 MET 2 HE3 MET 2 -16.743 6.585 -0.698
20 H ASP 3 H ASP 3 -13.762 2.021 2.896
21 HA ASP 3 HA ASP 3 -12.177 1.376 5.223
22 HB2 ASP 3 HB2 ASP 3 -14.527 0.653 5.037
23 HB3 ASP 3 HB3 ASP 3 -14.101 -0.333 3.642
24 H MET 4 H MET 4 -10.705 -0.312 5.391
25 HA MET 4 HA MET 4 -8.956 -0.610 3.157
26 HB2 MET 4 HB2 MET 4 -8.871 -1.835 5.918
27 HB3 MET 4 HB3 MET 4 -7.583 -1.960 4.731
28 HG2 MET 4 HG2 MET 4 -6.969 -0.266 6.259
29 HG3 MET 4 HG3 MET 4 -7.430 0.527 4.756
30 HE1 MET 4 HE1 MET 4 -10.123 0.401 8.504
31 HE2 MET 4 HE2 MET 4 -8.572 -0.430 8.371
32 HE3 MET 4 HE3 MET 4 -9.952 -0.976 7.418
33 H ARG 5 H ARG 5 -11.292 -1.658 2.414
34 HA ARG 5 HA ARG 5 -10.832 -4.560 2.371
35 HB2 ARG 5 HB2 ARG 5 -13.171 -4.706 1.538
36 HB3 ARG 5 HB3 ARG 5 -13.053 -3.997 3.142
37 HG2 ARG 5 HG2 ARG 5 -13.224 -1.752 2.079
38 HG3 ARG 5 HG3 ARG 5 -13.514 -2.563 0.540
39 HD2 ARG 5 HD2 ARG 5 -15.614 -1.903 1.569
40 HD3 ARG 5 HD3 ARG 5 -15.484 -3.660 1.490
41 HE ARG 5 HE ARG 5 -14.528 -2.685 3.987
42 HH11 ARG 5 HH11 ARG 5 -17.488 -3.295 2.208
43 HH12 ARG 5 HH12 ARG 5 -18.444 -3.533 3.634
44 HH21 ARG 5 HH21 ARG 5 -15.789 -2.998 5.860
45 HH22 ARG 5 HH22 ARG 5 -17.478 -3.369 5.716
46 H CYS 6 H CYS 6 -9.163 -2.932 0.931
47 HA CYS 6 HA CYS 6 -8.163 -2.810 -1.103
48 HB2 CYS 6 HB2 CYS 6 -8.899 -5.198 -1.329
49 HB3 CYS 6 HB3 CYS 6 -10.370 -4.630 -2.101
50 H SER 7 H SER 7 -10.271 -1.055 -0.165
51 HA SER 7 HA SER 7 -10.694 0.357 -2.653
52 HB2 SER 7 HB2 SER 7 -12.699 -1.186 -2.245
53 HB3 SER 7 HB3 SER 7 -13.071 -0.160 -0.861
54 HG SER 7 HG SER 7 -14.099 0.985 -2.301
55 H ALA 8 H ALA 8 -9.366 0.502 0.153
56 HA ALA 8 HA ALA 8 -10.679 2.603 1.541
57 HB1 ALA 8 HB1 ALA 8 -9.348 1.273 2.894
58 HB2 ALA 8 HB2 ALA 8 -8.441 2.779 2.763
59 HB3 ALA 8 HB3 ALA 8 -7.967 1.376 1.812
60 H SER 9 H SER 9 -9.076 2.668 -1.312
61 HA SER 9 HA SER 9 -8.536 4.281 -2.758
62 HB2 SER 9 HB2 SER 9 -9.314 6.557 -2.454
63 HB3 SER 9 HB3 SER 9 -10.559 5.422 -1.946
64 HG SER 9 HG SER 9 -9.331 5.850 0.233
65 H VAL 10 H VAL 10 -7.114 4.310 0.337
66 HA VAL 10 HA VAL 10 -4.739 5.591 -0.828
67 HB VAL 10 HB VAL 10 -4.203 6.550 1.417
68 HG11 VAL 10 HG11 VAL 10 -5.769 8.441 1.255
69 HG12 VAL 10 HG12 VAL 10 -6.759 7.503 0.139
70 HG13 VAL 10 HG13 VAL 10 -5.121 7.968 -0.315
71 HG21 VAL 10 HG21 VAL 10 -5.589 5.128 2.806
72 HG22 VAL 10 HG22 VAL 10 -7.047 5.763 2.046
73 HG23 VAL 10 HG23 VAL 10 -6.041 6.817 3.038
74 H GLU 11 H GLU 11 -5.592 2.793 -0.439
75 HA GLU 11 HA GLU 11 -4.040 1.803 1.797
76 HB2 GLU 11 HB2 GLU 11 -4.827 -0.352 0.148
77 HB3 GLU 11 HB3 GLU 11 -5.519 0.136 1.688
78 HG2 GLU 11 HG2 GLU 11 -7.337 0.067 0.250
79 HG3 GLU 11 HG3 GLU 11 -6.923 1.776 0.329
80 H CYS 12 H CYS 12 -3.872 1.817 -1.723
81 HA CYS 12 HA CYS 12 -1.446 0.293 -1.781
82 HB2 CYS 12 HB2 CYS 12 -2.757 1.947 -3.943
83 HB3 CYS 12 HB3 CYS 12 -1.380 0.871 -4.178
84 H LYS 13 H LYS 13 -2.008 3.290 -0.681
85 HA LYS 13 HA LYS 13 0.705 4.095 -1.431
86 HB2 LYS 13 HB2 LYS 13 -1.448 5.915 -0.338
87 HB3 LYS 13 HB3 LYS 13 0.104 6.388 -1.016
88 HG2 LYS 13 HG2 LYS 13 -1.942 4.947 -2.658
89 HG3 LYS 13 HG3 LYS 13 -1.985 6.694 -2.454
90 HD2 LYS 13 HD2 LYS 13 0.230 6.891 -3.406
91 HD3 LYS 13 HD3 LYS 13 0.367 5.136 -3.516
92 HE2 LYS 13 HE2 LYS 13 -0.188 6.020 -5.683
93 HE3 LYS 13 HE3 LYS 13 -1.570 5.126 -5.055
94 HZ1 LYS 13 HZ1 LYS 13 -2.527 7.242 -4.407
95 HZ2 LYS 13 HZ2 LYS 13 -2.273 7.181 -6.009
96 HZ3 LYS 13 HZ3 LYS 13 -1.272 8.044 -5.063
97 H GLN 14 H GLN 14 -1.576 3.683 1.217
98 HA GLN 14 HA GLN 14 0.366 4.586 3.174
99 HB2 GLN 14 HB2 GLN 14 -2.531 4.036 3.155
100 HB3 GLN 14 HB3 GLN 14 -1.701 3.727 4.674
101 HG2 GLN 14 HG2 GLN 14 -1.609 6.323 3.157
102 HG3 GLN 14 HG3 GLN 14 -2.661 5.985 4.532
103 HE21 GLN 14 HE21 GLN 14 -1.727 5.645 6.563
104 HE22 GLN 14 HE22 GLN 14 -0.157 6.262 6.949
105 H LYS 15 H LYS 15 -1.311 1.534 2.384
106 HA LYS 15 HA LYS 15 -0.175 0.182 4.627
107 HB2 LYS 15 HB2 LYS 15 -1.875 -0.606 2.335
108 HB3 LYS 15 HB3 LYS 15 -0.916 -1.868 3.090
109 HG2 LYS 15 HG2 LYS 15 -3.198 -1.663 4.022
110 HG3 LYS 15 HG3 LYS 15 -1.926 -1.454 5.224
111 HD2 LYS 15 HD2 LYS 15 -2.184 1.007 4.988
112 HD3 LYS 15 HD3 LYS 15 -3.542 0.721 3.898
113 HE2 LYS 15 HE2 LYS 15 -4.750 -0.423 5.663
114 HE3 LYS 15 HE3 LYS 15 -3.378 -0.234 6.752
115 HZ1 LYS 15 HZ1 LYS 15 -3.696 2.130 6.649
116 HZ2 LYS 15 HZ2 LYS 15 -5.067 1.419 7.146
117 HZ3 LYS 15 HZ3 LYS 15 -4.947 1.971 5.623
118 H CYS 16 H CYS 16 0.877 0.777 1.400
119 HA CYS 16 HA CYS 16 3.078 -1.082 1.576
120 HB2 CYS 16 HB2 CYS 16 1.991 -0.227 -0.591
121 HB3 CYS 16 HB3 CYS 16 2.894 1.260 -0.315
122 H LEU 17 H LEU 17 2.386 2.200 2.406
123 HA LEU 17 HA LEU 17 5.086 3.068 2.678
124 HB2 LEU 17 HB2 LEU 17 2.697 4.328 2.497
125 HB3 LEU 17 HB3 LEU 17 2.957 4.411 4.228
126 HG LEU 17 HG LEU 17 4.968 5.399 2.215
127 HD11 LEU 17 HD11 LEU 17 4.117 7.647 2.759
128 HD12 LEU 17 HD12 LEU 17 2.791 6.903 3.656
129 HD13 LEU 17 HD13 LEU 17 2.933 6.650 1.915
130 HD21 LEU 17 HD21 LEU 17 5.877 6.613 4.116
131 HD22 LEU 17 HD22 LEU 17 5.841 4.882 4.448
132 HD23 LEU 17 HD23 LEU 17 4.627 5.942 5.161
133 H LYS 18 H LYS 18 2.604 1.799 4.806
134 HA LYS 18 HA LYS 18 4.215 1.891 7.163
135 HB2 LYS 18 HB2 LYS 18 1.717 0.323 6.495
136 HB3 LYS 18 HB3 LYS 18 2.455 0.378 8.088
137 HG2 LYS 18 HG2 LYS 18 2.028 2.734 8.268
138 HG3 LYS 18 HG3 LYS 18 1.431 2.787 6.608
139 HD2 LYS 18 HD2 LYS 18 -0.424 1.336 7.202
140 HD3 LYS 18 HD3 LYS 18 0.193 1.192 8.850
141 HE2 LYS 18 HE2 LYS 18 -0.592 3.810 7.583
142 HE3 LYS 18 HE3 LYS 18 -1.693 2.823 8.541
143 HZ1 LYS 18 HZ1 LYS 18 -0.620 4.556 9.828
144 HZ2 LYS 18 HZ2 LYS 18 0.842 3.916 9.529
145 HZ3 LYS 18 HZ3 LYS 18 -0.245 3.082 10.401
146 H ALA 19 H ALA 19 3.834 -0.297 4.500
147 HA ALA 19 HA ALA 19 5.009 -2.576 5.734
148 HB1 ALA 19 HB1 ALA 19 5.169 -3.482 3.485
149 HB2 ALA 19 HB2 ALA 19 4.805 -1.895 2.804
150 HB3 ALA 19 HB3 ALA 19 3.587 -2.752 3.750
151 H ILE 20 H ILE 20 6.412 -0.748 2.991
152 HA ILE 20 HA ILE 20 9.040 -1.064 4.309
153 HB ILE 20 HB ILE 20 10.115 -1.156 2.172
154 HG12 ILE 20 HG12 ILE 20 7.383 -0.702 0.947
155 HG13 ILE 20 HG13 ILE 20 8.685 0.480 1.009
156 HG21 ILE 20 HG21 ILE 20 7.679 -2.934 2.150
157 HG22 ILE 20 HG22 ILE 20 9.200 -3.260 2.982
158 HG23 ILE 20 HG23 ILE 20 9.155 -3.199 1.219
159 HD11 ILE 20 HD11 ILE 20 8.452 -0.584 -1.188
160 HD12 ILE 20 HD12 ILE 20 8.810 -2.148 -0.451
161 HD13 ILE 20 HD13 ILE 20 10.033 -0.877 -0.459
162 H GLY 21 H GLY 21 6.769 1.146 3.027
163 HA2 GLY 21 HA2 GLY 21 7.003 3.510 3.504
164 HA3 GLY 21 HA3 GLY 21 8.735 3.332 3.260
165 H SER 22 H SER 22 5.954 2.266 1.338
166 HA SER 22 HA SER 22 6.965 3.851 -0.922
167 HB2 SER 22 HB2 SER 22 7.611 1.406 -1.043
168 HB3 SER 22 HB3 SER 22 5.900 1.023 -1.115
169 HG SER 22 HG SER 22 7.571 2.012 -3.055
170 H ILE 23 H ILE 23 5.376 4.669 -2.287
171 HA ILE 23 HA ILE 23 2.627 4.329 -1.344
172 HB ILE 23 HB ILE 23 2.069 6.315 -2.661
173 HG12 ILE 23 HG12 ILE 23 5.033 6.454 -3.249
174 HG13 ILE 23 HG13 ILE 23 3.789 6.024 -4.420
175 HG21 ILE 23 HG21 ILE 23 2.718 6.580 -0.342
176 HG22 ILE 23 HG22 ILE 23 3.288 7.950 -1.296
177 HG23 ILE 23 HG23 ILE 23 4.415 6.684 -0.808
178 HD11 ILE 23 HD11 ILE 23 2.797 8.236 -4.161
179 HD12 ILE 23 HD12 ILE 23 4.476 8.322 -4.693
180 HD13 ILE 23 HD13 ILE 23 4.063 8.664 -3.011
181 H PHE 24 H PHE 24 4.186 2.424 -2.982
182 HA PHE 24 HA PHE 24 2.478 2.378 -5.377
183 HB2 PHE 24 HB2 PHE 24 5.313 1.343 -5.171
184 HB3 PHE 24 HB3 PHE 24 4.323 1.441 -6.627
185 HD1 PHE 24 HD1 PHE 24 6.272 3.346 -4.183
186 HD2 PHE 24 HD2 PHE 24 3.964 3.551 -7.748
187 HE1 PHE 24 HE1 PHE 24 7.118 5.610 -4.590
188 HE2 PHE 24 HE2 PHE 24 4.807 5.823 -8.165
189 HZ PHE 24 HZ PHE 24 6.388 6.856 -6.586
190 H GLY 25 H GLY 25 1.450 1.341 -3.277
191 HA2 GLY 25 HA2 GLY 25 2.146 -1.323 -2.618
192 HA3 GLY 25 HA3 GLY 25 0.661 -0.480 -2.196
193 H LYS 26 H LYS 26 0.996 -3.209 -2.939
194 HA LYS 26 HA LYS 26 -0.421 -3.406 -5.516
195 HB2 LYS 26 HB2 LYS 26 0.772 -5.705 -3.972
196 HB3 LYS 26 HB3 LYS 26 0.342 -5.649 -5.678
197 HG2 LYS 26 HG2 LYS 26 2.668 -4.308 -4.332
198 HG3 LYS 26 HG3 LYS 26 2.714 -5.627 -5.500
199 HD2 LYS 26 HD2 LYS 26 1.775 -4.120 -7.202
200 HD3 LYS 26 HD3 LYS 26 1.793 -2.805 -6.025
201 HE2 LYS 26 HE2 LYS 26 4.167 -4.300 -7.137
202 HE3 LYS 26 HE3 LYS 26 3.751 -2.609 -7.406
203 HZ1 LYS 26 HZ1 LYS 26 4.535 -3.774 -4.822
204 HZ2 LYS 26 HZ2 LYS 26 4.155 -2.209 -5.076
205 HZ3 LYS 26 HZ3 LYS 26 5.481 -2.843 -5.772
206 H CYS 27 H CYS 27 -2.498 -4.024 -5.498
207 HA CYS 27 HA CYS 27 -3.958 -4.207 -3.080
208 HB2 CYS 27 HB2 CYS 27 -4.983 -3.430 -5.150
209 HB3 CYS 27 HB3 CYS 27 -4.760 -5.012 -5.885
210 H MET 28 H MET 28 -3.445 -5.812 -1.713
211 HA MET 28 HA MET 28 -4.179 -8.522 -2.422
212 HB2 MET 28 HB2 MET 28 -1.355 -7.735 -1.762
213 HB3 MET 28 HB3 MET 28 -1.958 -9.323 -1.315
214 HG2 MET 28 HG2 MET 28 -1.892 -8.207 -4.109
215 HG3 MET 28 HG3 MET 28 -0.728 -9.342 -3.429
216 HE1 MET 28 HE1 MET 28 -2.664 -11.620 -5.925
217 HE2 MET 28 HE2 MET 28 -1.083 -11.056 -5.384
218 HE3 MET 28 HE3 MET 28 -2.206 -9.931 -6.147
219 H ASN 29 H ASN 29 -4.990 -9.599 -0.718
220 HA ASN 29 HA ASN 29 -5.732 -10.078 1.370
221 HB2 ASN 29 HB2 ASN 29 -3.309 -8.508 2.279
222 HB3 ASN 29 HB3 ASN 29 -4.295 -9.544 3.305
223 HD21 ASN 29 HD21 ASN 29 -1.486 -9.726 2.749
224 HD22 ASN 29 HD22 ASN 29 -1.212 -11.277 2.035
225 H LYS 30 H LYS 30 -6.721 -7.781 0.010
226 HA LYS 30 HA LYS 30 -8.276 -6.174 0.344
227 HB2 LYS 30 HB2 LYS 30 -7.943 -6.800 3.279
228 HB3 LYS 30 HB3 LYS 30 -9.177 -5.744 2.608
229 HG2 LYS 30 HG2 LYS 30 -10.044 -7.650 1.299
230 HG3 LYS 30 HG3 LYS 30 -8.858 -8.690 2.086
231 HD2 LYS 30 HD2 LYS 30 -9.845 -8.093 4.273
232 HD3 LYS 30 HD3 LYS 30 -11.073 -7.149 3.430
233 HE2 LYS 30 HE2 LYS 30 -10.609 -10.117 3.169
234 HE3 LYS 30 HE3 LYS 30 -11.933 -9.343 4.034
235 HZ1 LYS 30 HZ1 LYS 30 -12.680 -8.442 1.941
236 HZ2 LYS 30 HZ2 LYS 30 -12.603 -10.065 1.852
237 HZ3 LYS 30 HZ3 LYS 30 -11.456 -9.161 1.144
238 H LYS 31 H LYS 31 -5.167 -6.014 1.585
239 HA LYS 31 HA LYS 31 -5.321 -3.073 1.685
240 HB2 LYS 31 HB2 LYS 31 -3.408 -4.977 3.056
241 HB3 LYS 31 HB3 LYS 31 -3.079 -3.257 2.899
242 HG2 LYS 31 HG2 LYS 31 -3.945 -3.672 5.085
243 HG3 LYS 31 HG3 LYS 31 -5.167 -2.796 4.165
244 HD2 LYS 31 HD2 LYS 31 -6.474 -4.744 3.866
245 HD3 LYS 31 HD3 LYS 31 -5.173 -5.793 4.435
246 HE2 LYS 31 HE2 LYS 31 -6.555 -3.729 6.145
247 HE3 LYS 31 HE3 LYS 31 -7.020 -5.429 6.080
248 HZ1 LYS 31 HZ1 LYS 31 -4.415 -4.390 6.954
249 HZ2 LYS 31 HZ2 LYS 31 -4.787 -5.968 6.840
250 HZ3 LYS 31 HZ3 LYS 31 -5.564 -5.031 7.915
251 H CYS 32 H CYS 32 -2.446 -2.818 1.441
252 HA CYS 32 HA CYS 32 -1.942 -4.024 -1.164
253 HB2 CYS 32 HB2 CYS 32 -1.770 -1.104 -0.481
254 HB3 CYS 32 HB3 CYS 32 -0.964 -1.804 -1.884
255 H LYS 33 H LYS 33 -0.096 -5.010 -1.203
256 HA LYS 33 HA LYS 33 1.878 -4.509 0.899
257 HB2 LYS 33 HB2 LYS 33 1.978 -6.683 -1.187
258 HB3 LYS 33 HB3 LYS 33 2.749 -6.652 0.392
259 HG2 LYS 33 HG2 LYS 33 0.638 -6.941 1.490
260 HG3 LYS 33 HG3 LYS 33 -0.220 -6.782 -0.045
261 HD2 LYS 33 HD2 LYS 33 -0.028 -9.129 0.676
262 HD3 LYS 33 HD3 LYS 33 0.786 -8.829 -0.859
263 HE2 LYS 33 HE2 LYS 33 2.933 -8.685 0.330
264 HE3 LYS 33 HE3 LYS 33 2.105 -9.025 1.845
265 HZ1 LYS 33 HZ1 LYS 33 2.200 -10.837 -0.458
266 HZ2 LYS 33 HZ2 LYS 33 1.480 -11.150 0.966
267 HZ3 LYS 33 HZ3 LYS 33 3.094 -10.991 0.894
268 H CYS 34 H CYS 34 4.162 -4.354 0.305
269 HA CYS 34 HA CYS 34 4.586 -2.941 -2.174
270 HB2 CYS 34 HB2 CYS 34 6.593 -3.832 -0.100
271 HB3 CYS 34 HB3 CYS 34 6.861 -2.650 -1.385
Start of MODEL 4
1 H1 GLN 1 H1 GLN 1 -15.125 6.702 4.418
2 H2 GLN 1 H2 GLN 1 -14.493 6.220 3.002
3 H3 GLN 1 H3 GLN 1 -14.021 5.508 4.384
4 HA GLN 1 HA GLN 1 -16.139 4.570 4.750
5 HB2 GLN 1 HB2 GLN 1 -17.855 4.730 2.969
6 HB3 GLN 1 HB3 GLN 1 -17.551 6.256 3.784
7 HG2 GLN 1 HG2 GLN 1 -16.285 5.528 1.158
8 HG3 GLN 1 HG3 GLN 1 -17.844 6.340 1.276
9 HE21 GLN 1 HE21 GLN 1 -15.236 7.196 0.159
10 HE22 GLN 1 HE22 GLN 1 -14.888 8.701 0.943
11 H MET 2 H MET 2 -13.714 4.609 2.454
12 HA MET 2 HA MET 2 -14.570 2.163 1.156
13 HB2 MET 2 HB2 MET 2 -12.246 4.037 0.815
14 HB3 MET 2 HB3 MET 2 -12.224 2.437 0.091
15 HG2 MET 2 HG2 MET 2 -12.903 4.003 -1.554
16 HG3 MET 2 HG3 MET 2 -14.302 3.017 -1.123
17 HE1 MET 2 HE1 MET 2 -15.838 4.778 -2.362
18 HE2 MET 2 HE2 MET 2 -14.445 5.790 -2.739
19 HE3 MET 2 HE3 MET 2 -15.869 6.499 -1.979
20 H ASP 3 H ASP 3 -14.105 0.257 2.017
21 HA ASP 3 HA ASP 3 -12.688 -0.013 4.434
22 HB2 ASP 3 HB2 ASP 3 -14.478 -1.566 3.559
23 HB3 ASP 3 HB3 ASP 3 -13.267 -2.235 2.471
24 H MET 4 H MET 4 -10.723 -1.018 4.889
25 HA MET 4 HA MET 4 -8.560 -0.224 3.326
26 HB2 MET 4 HB2 MET 4 -7.195 -1.460 4.926
27 HB3 MET 4 HB3 MET 4 -8.442 -0.531 5.750
28 HG2 MET 4 HG2 MET 4 -9.787 -2.525 6.020
29 HG3 MET 4 HG3 MET 4 -8.600 -3.465 5.123
30 HE1 MET 4 HE1 MET 4 -8.182 -4.844 8.750
31 HE2 MET 4 HE2 MET 4 -8.467 -5.251 7.060
32 HE3 MET 4 HE3 MET 4 -9.680 -4.347 7.966
33 H ARG 5 H ARG 5 -10.583 -2.893 2.908
34 HA ARG 5 HA ARG 5 -8.703 -4.761 1.887
35 HB2 ARG 5 HB2 ARG 5 -11.685 -4.494 1.724
36 HB3 ARG 5 HB3 ARG 5 -10.832 -5.740 0.826
37 HG2 ARG 5 HG2 ARG 5 -9.953 -6.672 2.845
38 HG3 ARG 5 HG3 ARG 5 -10.647 -5.357 3.795
39 HD2 ARG 5 HD2 ARG 5 -12.049 -7.308 4.003
40 HD3 ARG 5 HD3 ARG 5 -12.900 -6.079 3.069
41 HE ARG 5 HE ARG 5 -11.458 -7.968 1.450
42 HH11 ARG 5 HH11 ARG 5 -14.480 -7.299 3.082
43 HH12 ARG 5 HH12 ARG 5 -15.395 -8.408 2.113
44 HH21 ARG 5 HH21 ARG 5 -12.650 -9.428 0.171
45 HH22 ARG 5 HH22 ARG 5 -14.354 -9.618 0.444
46 H CYS 6 H CYS 6 -7.637 -2.946 0.646
47 HA CYS 6 HA CYS 6 -7.013 -2.020 -1.307
48 HB2 CYS 6 HB2 CYS 6 -6.914 -4.462 -1.824
49 HB3 CYS 6 HB3 CYS 6 -8.531 -4.342 -2.502
50 H SER 7 H SER 7 -9.338 -0.931 -0.190
51 HA SER 7 HA SER 7 -10.694 0.009 -2.611
52 HB2 SER 7 HB2 SER 7 -12.149 -1.639 -1.499
53 HB3 SER 7 HB3 SER 7 -12.061 -0.712 -0.006
54 HG SER 7 HG SER 7 -13.222 0.076 -2.472
55 H ALA 8 H ALA 8 -9.350 0.659 0.494
56 HA ALA 8 HA ALA 8 -10.787 2.905 1.334
57 HB1 ALA 8 HB1 ALA 8 -8.972 3.309 2.879
58 HB2 ALA 8 HB2 ALA 8 -7.914 2.238 1.963
59 HB3 ALA 8 HB3 ALA 8 -9.330 1.585 2.783
60 H SER 9 H SER 9 -8.790 2.777 -1.355
61 HA SER 9 HA SER 9 -8.330 4.361 -2.899
62 HB2 SER 9 HB2 SER 9 -10.421 5.481 -2.071
63 HB3 SER 9 HB3 SER 9 -9.417 6.418 -0.964
64 HG SER 9 HG SER 9 -8.239 7.079 -2.935
65 H VAL 10 H VAL 10 -7.230 4.751 0.360
66 HA VAL 10 HA VAL 10 -4.744 5.956 -0.676
67 HB VAL 10 HB VAL 10 -4.324 6.796 1.611
68 HG11 VAL 10 HG11 VAL 10 -5.980 8.593 1.586
69 HG12 VAL 10 HG12 VAL 10 -6.968 7.668 0.455
70 HG13 VAL 10 HG13 VAL 10 -5.377 8.250 -0.035
71 HG21 VAL 10 HG21 VAL 10 -6.141 6.794 3.266
72 HG22 VAL 10 HG22 VAL 10 -5.611 5.159 2.874
73 HG23 VAL 10 HG23 VAL 10 -7.110 5.787 2.189
74 H GLU 11 H GLU 11 -5.851 3.103 -0.195
75 HA GLU 11 HA GLU 11 -4.205 2.028 1.886
76 HB2 GLU 11 HB2 GLU 11 -5.007 -0.147 0.395
77 HB3 GLU 11 HB3 GLU 11 -5.848 0.513 1.787
78 HG2 GLU 11 HG2 GLU 11 -7.422 0.201 0.037
79 HG3 GLU 11 HG3 GLU 11 -7.168 1.927 0.259
80 H CYS 12 H CYS 12 -4.097 2.159 -1.618
81 HA CYS 12 HA CYS 12 -1.753 0.508 -1.769
82 HB2 CYS 12 HB2 CYS 12 -3.117 2.230 -3.840
83 HB3 CYS 12 HB3 CYS 12 -1.754 1.165 -4.172
84 H LYS 13 H LYS 13 -1.830 3.142 -0.247
85 HA LYS 13 HA LYS 13 0.827 3.924 -1.173
86 HB2 LYS 13 HB2 LYS 13 -1.184 5.946 -0.153
87 HB3 LYS 13 HB3 LYS 13 0.398 6.271 -0.838
88 HG2 LYS 13 HG2 LYS 13 -1.821 5.036 -2.434
89 HG3 LYS 13 HG3 LYS 13 -1.612 6.780 -2.285
90 HD2 LYS 13 HD2 LYS 13 0.684 6.532 -3.183
91 HD3 LYS 13 HD3 LYS 13 0.374 4.811 -3.418
92 HE2 LYS 13 HE2 LYS 13 -1.163 7.071 -4.692
93 HE3 LYS 13 HE3 LYS 13 0.067 6.090 -5.485
94 HZ1 LYS 13 HZ1 LYS 13 -1.340 4.184 -5.171
95 HZ2 LYS 13 HZ2 LYS 13 -2.149 5.330 -5.989
96 HZ3 LYS 13 HZ3 LYS 13 -2.471 5.079 -4.418
97 H GLN 14 H GLN 14 -1.549 4.500 1.422
98 HA GLN 14 HA GLN 14 0.493 5.081 3.342
99 HB2 GLN 14 HB2 GLN 14 -2.457 4.526 3.732
100 HB3 GLN 14 HB3 GLN 14 -1.380 5.197 4.947
101 HG2 GLN 14 HG2 GLN 14 -2.091 6.487 2.322
102 HG3 GLN 14 HG3 GLN 14 -2.762 6.910 3.896
103 HE21 GLN 14 HE21 GLN 14 0.001 7.063 1.824
104 HE22 GLN 14 HE22 GLN 14 0.887 8.233 2.738
105 H LYS 15 H LYS 15 -1.545 2.283 2.639
106 HA LYS 15 HA LYS 15 -0.786 0.862 4.981
107 HB2 LYS 15 HB2 LYS 15 -2.061 -0.053 2.410
108 HB3 LYS 15 HB3 LYS 15 -1.744 -1.124 3.768
109 HG2 LYS 15 HG2 LYS 15 -3.517 1.314 3.803
110 HG3 LYS 15 HG3 LYS 15 -4.053 -0.367 3.773
111 HD2 LYS 15 HD2 LYS 15 -2.971 -0.744 5.941
112 HD3 LYS 15 HD3 LYS 15 -2.446 0.939 5.971
113 HE2 LYS 15 HE2 LYS 15 -4.814 1.640 5.900
114 HE3 LYS 15 HE3 LYS 15 -5.290 -0.057 5.978
115 HZ1 LYS 15 HZ1 LYS 15 -4.206 -0.197 8.107
116 HZ2 LYS 15 HZ2 LYS 15 -5.325 0.982 8.138
117 HZ3 LYS 15 HZ3 LYS 15 -3.750 1.365 8.032
118 H CYS 16 H CYS 16 0.369 0.847 1.626
119 HA CYS 16 HA CYS 16 2.302 -1.177 2.206
120 HB2 CYS 16 HB2 CYS 16 3.073 -0.841 -0.038
121 HB3 CYS 16 HB3 CYS 16 1.317 -0.877 -0.045
122 H LEU 17 H LEU 17 2.084 2.179 2.646
123 HA LEU 17 HA LEU 17 4.876 2.725 2.686
124 HB2 LEU 17 HB2 LEU 17 2.844 4.364 2.533
125 HB3 LEU 17 HB3 LEU 17 2.846 4.261 4.281
126 HG LEU 17 HG LEU 17 5.295 5.079 2.744
127 HD11 LEU 17 HD11 LEU 17 3.513 6.584 2.090
128 HD12 LEU 17 HD12 LEU 17 4.653 7.405 3.157
129 HD13 LEU 17 HD13 LEU 17 3.098 6.858 3.783
130 HD21 LEU 17 HD21 LEU 17 5.905 6.148 4.854
131 HD22 LEU 17 HD22 LEU 17 5.622 4.423 5.078
132 HD23 LEU 17 HD23 LEU 17 4.399 5.589 5.580
133 H LYS 18 H LYS 18 2.429 1.883 5.092
134 HA LYS 18 HA LYS 18 4.260 1.732 7.269
135 HB2 LYS 18 HB2 LYS 18 1.515 0.542 6.858
136 HB3 LYS 18 HB3 LYS 18 2.419 0.404 8.362
137 HG2 LYS 18 HG2 LYS 18 2.429 2.821 8.599
138 HG3 LYS 18 HG3 LYS 18 1.567 2.984 7.068
139 HD2 LYS 18 HD2 LYS 18 -0.354 1.848 7.975
140 HD3 LYS 18 HD3 LYS 18 0.513 1.502 9.473
141 HE2 LYS 18 HE2 LYS 18 -1.025 3.388 9.734
142 HE3 LYS 18 HE3 LYS 18 0.653 3.876 9.964
143 HZ1 LYS 18 HZ1 LYS 18 -0.931 4.300 7.532
144 HZ2 LYS 18 HZ2 LYS 18 0.628 4.721 7.708
145 HZ3 LYS 18 HZ3 LYS 18 -0.513 5.447 8.607
146 H ALA 19 H ALA 19 3.332 -0.398 4.702
147 HA ALA 19 HA ALA 19 4.346 -2.797 5.821
148 HB1 ALA 19 HB1 ALA 19 4.225 -3.702 3.580
149 HB2 ALA 19 HB2 ALA 19 4.051 -2.082 2.907
150 HB3 ALA 19 HB3 ALA 19 2.777 -2.756 3.924
151 H ILE 20 H ILE 20 5.758 -0.809 3.176
152 HA ILE 20 HA ILE 20 8.412 -1.605 4.178
153 HB ILE 20 HB ILE 20 9.189 -1.954 1.871
154 HG12 ILE 20 HG12 ILE 20 6.259 -1.765 1.134
155 HG13 ILE 20 HG13 ILE 20 7.478 -0.553 0.743
156 HG21 ILE 20 HG21 ILE 20 6.863 -3.680 2.706
157 HG22 ILE 20 HG22 ILE 20 8.545 -3.868 3.206
158 HG23 ILE 20 HG23 ILE 20 8.089 -4.129 1.522
159 HD11 ILE 20 HD11 ILE 20 7.293 -3.369 -0.284
160 HD12 ILE 20 HD12 ILE 20 8.689 -2.322 -0.534
161 HD13 ILE 20 HD13 ILE 20 7.120 -1.868 -1.191
162 H GLY 21 H GLY 21 6.556 0.962 3.712
163 HA2 GLY 21 HA2 GLY 21 7.104 3.210 3.664
164 HA3 GLY 21 HA3 GLY 21 8.788 2.753 3.455
165 H SER 22 H SER 22 5.964 2.003 1.468
166 HA SER 22 HA SER 22 7.177 3.500 -0.751
167 HB2 SER 22 HB2 SER 22 6.051 0.693 -0.786
168 HB3 SER 22 HB3 SER 22 6.465 1.600 -2.235
169 HG SER 22 HG SER 22 8.594 1.800 -0.831
170 H ILE 23 H ILE 23 5.504 3.726 -2.596
171 HA ILE 23 HA ILE 23 2.813 4.147 -1.495
172 HB ILE 23 HB ILE 23 2.753 6.362 -2.686
173 HG12 ILE 23 HG12 ILE 23 5.757 6.011 -2.673
174 HG13 ILE 23 HG13 ILE 23 4.743 5.922 -4.109
175 HG21 ILE 23 HG21 ILE 23 3.904 7.555 -0.878
176 HG22 ILE 23 HG22 ILE 23 4.697 6.052 -0.406
177 HG23 ILE 23 HG23 ILE 23 2.945 6.206 -0.268
178 HD11 ILE 23 HD11 ILE 23 5.852 8.071 -3.899
179 HD12 ILE 23 HD12 ILE 23 5.062 8.326 -2.342
180 HD13 ILE 23 HD13 ILE 23 4.099 8.230 -3.815
181 H PHE 24 H PHE 24 3.516 2.069 -3.156
182 HA PHE 24 HA PHE 24 2.062 2.693 -5.613
183 HB2 PHE 24 HB2 PHE 24 4.680 1.166 -5.609
184 HB3 PHE 24 HB3 PHE 24 3.716 1.609 -7.014
185 HD1 PHE 24 HD1 PHE 24 3.786 3.832 -7.916
186 HD2 PHE 24 HD2 PHE 24 5.982 2.847 -4.411
187 HE1 PHE 24 HE1 PHE 24 5.043 5.931 -8.115
188 HE2 PHE 24 HE2 PHE 24 7.250 4.927 -4.605
189 HZ PHE 24 HZ PHE 24 6.786 6.483 -6.465
190 H GLY 25 H GLY 25 0.953 1.533 -3.548
191 HA2 GLY 25 HA2 GLY 25 1.555 -1.099 -2.898
192 HA3 GLY 25 HA3 GLY 25 0.041 -0.283 -2.565
193 H LYS 26 H LYS 26 1.055 -2.995 -3.568
194 HA LYS 26 HA LYS 26 -0.827 -3.370 -5.798
195 HB2 LYS 26 HB2 LYS 26 1.239 -5.248 -4.601
196 HB3 LYS 26 HB3 LYS 26 0.270 -5.564 -6.041
197 HG2 LYS 26 HG2 LYS 26 2.308 -3.364 -5.757
198 HG3 LYS 26 HG3 LYS 26 2.575 -4.907 -6.566
199 HD2 LYS 26 HD2 LYS 26 0.445 -2.934 -7.371
200 HD3 LYS 26 HD3 LYS 26 2.055 -2.992 -8.090
201 HE2 LYS 26 HE2 LYS 26 1.628 -5.340 -8.744
202 HE3 LYS 26 HE3 LYS 26 -0.011 -5.187 -8.115
203 HZ1 LYS 26 HZ1 LYS 26 -0.408 -3.474 -9.727
204 HZ2 LYS 26 HZ2 LYS 26 0.083 -4.824 -10.483
205 HZ3 LYS 26 HZ3 LYS 26 1.114 -3.581 -10.298
206 H CYS 27 H CYS 27 -2.680 -4.583 -5.482
207 HA CYS 27 HA CYS 27 -3.829 -4.829 -2.974
208 HB2 CYS 27 HB2 CYS 27 -4.407 -6.450 -5.464
209 HB3 CYS 27 HB3 CYS 27 -5.454 -6.369 -4.052
210 H MET 28 H MET 28 -2.757 -5.817 -1.383
211 HA MET 28 HA MET 28 -2.474 -8.681 -1.359
212 HB2 MET 28 HB2 MET 28 -0.090 -6.880 -1.557
213 HB3 MET 28 HB3 MET 28 0.009 -8.306 -0.532
214 HG2 MET 28 HG2 MET 28 -0.648 -8.301 -3.470
215 HG3 MET 28 HG3 MET 28 0.921 -8.684 -2.771
216 HE1 MET 28 HE1 MET 28 -0.495 -10.618 -4.789
217 HE2 MET 28 HE2 MET 28 -0.291 -12.181 -4.000
218 HE3 MET 28 HE3 MET 28 1.033 -11.015 -4.003
219 H ASN 29 H ASN 29 -2.045 -9.454 0.783
220 HA ASN 29 HA ASN 29 -2.358 -9.449 3.033
221 HB2 ASN 29 HB2 ASN 29 -1.141 -6.679 2.865
222 HB3 ASN 29 HB3 ASN 29 -1.311 -7.639 4.331
223 HD21 ASN 29 HD21 ASN 29 -0.044 -9.510 4.569
224 HD22 ASN 29 HD22 ASN 29 1.422 -9.718 3.682
225 H LYS 30 H LYS 30 -4.472 -8.703 1.385
226 HA LYS 30 HA LYS 30 -6.634 -8.105 1.576
227 HB2 LYS 30 HB2 LYS 30 -5.851 -7.119 4.316
228 HB3 LYS 30 HB3 LYS 30 -7.495 -7.091 3.693
229 HG2 LYS 30 HG2 LYS 30 -7.463 -9.513 3.464
230 HG3 LYS 30 HG3 LYS 30 -5.802 -9.551 4.056
231 HD2 LYS 30 HD2 LYS 30 -6.531 -8.631 6.192
232 HD3 LYS 30 HD3 LYS 30 -8.193 -8.553 5.599
233 HE2 LYS 30 HE2 LYS 30 -7.825 -10.523 7.005
234 HE3 LYS 30 HE3 LYS 30 -8.242 -10.969 5.351
235 HZ1 LYS 30 HZ1 LYS 30 -6.410 -12.269 6.220
236 HZ2 LYS 30 HZ2 LYS 30 -5.517 -10.931 6.441
237 HZ3 LYS 30 HZ3 LYS 30 -5.930 -11.390 4.937
238 H LYS 31 H LYS 31 -4.194 -5.670 2.287
239 HA LYS 31 HA LYS 31 -5.988 -3.753 0.977
240 HB2 LYS 31 HB2 LYS 31 -3.896 -2.244 2.116
241 HB3 LYS 31 HB3 LYS 31 -5.587 -2.248 2.558
242 HG2 LYS 31 HG2 LYS 31 -3.492 -4.040 3.764
243 HG3 LYS 31 HG3 LYS 31 -4.081 -2.533 4.464
244 HD2 LYS 31 HD2 LYS 31 -6.349 -3.495 4.551
245 HD3 LYS 31 HD3 LYS 31 -5.700 -5.020 3.946
246 HE2 LYS 31 HE2 LYS 31 -5.050 -3.648 6.548
247 HE3 LYS 31 HE3 LYS 31 -5.881 -5.187 6.326
248 HZ1 LYS 31 HZ1 LYS 31 -3.641 -5.591 6.923
249 HZ2 LYS 31 HZ2 LYS 31 -3.060 -4.627 5.753
250 HZ3 LYS 31 HZ3 LYS 31 -3.800 -6.022 5.358
251 H CYS 32 H CYS 32 -2.652 -2.888 1.346
252 HA CYS 32 HA CYS 32 -2.033 -3.862 -1.309
253 HB2 CYS 32 HB2 CYS 32 -2.174 -0.955 -0.569
254 HB3 CYS 32 HB3 CYS 32 -1.256 -1.539 -1.952
255 H LYS 33 H LYS 33 -0.052 -4.476 -1.483
256 HA LYS 33 HA LYS 33 2.039 -3.378 0.286
257 HB2 LYS 33 HB2 LYS 33 1.913 -5.651 0.859
258 HB3 LYS 33 HB3 LYS 33 1.541 -6.140 -0.788
259 HG2 LYS 33 HG2 LYS 33 3.913 -5.284 -1.325
260 HG3 LYS 33 HG3 LYS 33 4.180 -5.436 0.417
261 HD2 LYS 33 HD2 LYS 33 4.868 -7.500 -0.410
262 HD3 LYS 33 HD3 LYS 33 3.209 -7.814 0.107
263 HE2 LYS 33 HE2 LYS 33 3.555 -8.801 -2.057
264 HE3 LYS 33 HE3 LYS 33 2.456 -7.434 -2.215
265 HZ1 LYS 33 HZ1 LYS 33 4.140 -7.463 -3.934
266 HZ2 LYS 33 HZ2 LYS 33 5.324 -7.356 -2.830
267 HZ3 LYS 33 HZ3 LYS 33 4.284 -6.119 -3.024
268 H CYS 34 H CYS 34 3.701 -2.362 -0.811
269 HA CYS 34 HA CYS 34 3.509 -2.208 -3.678
270 HB2 CYS 34 HB2 CYS 34 5.629 -1.059 -1.854
271 HB3 CYS 34 HB3 CYS 34 5.366 -0.629 -3.538
Start of MODEL 5
1 H1 GLN 1 H1 GLN 1 -14.214 9.253 3.580
2 H2 GLN 1 H2 GLN 1 -15.391 8.179 3.883
3 H3 GLN 1 H3 GLN 1 -15.064 8.606 2.352
4 HA GLN 1 HA GLN 1 -12.904 7.613 2.461
5 HB2 GLN 1 HB2 GLN 1 -13.837 6.979 5.257
6 HB3 GLN 1 HB3 GLN 1 -12.562 6.062 4.469
7 HG2 GLN 1 HG2 GLN 1 -12.515 9.019 5.019
8 HG3 GLN 1 HG3 GLN 1 -11.666 7.780 5.942
9 HE21 GLN 1 HE21 GLN 1 -9.905 6.726 5.012
10 HE22 GLN 1 HE22 GLN 1 -9.062 7.392 3.657
11 H MET 2 H MET 2 -12.901 5.833 1.267
12 HA MET 2 HA MET 2 -15.210 4.064 1.225
13 HB2 MET 2 HB2 MET 2 -12.659 3.565 -0.278
14 HB3 MET 2 HB3 MET 2 -14.295 3.131 -0.717
15 HG2 MET 2 HG2 MET 2 -13.264 5.951 -0.664
16 HG3 MET 2 HG3 MET 2 -13.272 4.933 -2.099
17 HE1 MET 2 HE1 MET 2 -17.076 4.381 -2.730
18 HE2 MET 2 HE2 MET 2 -16.041 3.335 -1.762
19 HE3 MET 2 HE3 MET 2 -15.431 4.037 -3.260
20 H ASP 3 H ASP 3 -14.714 1.653 1.259
21 HA ASP 3 HA ASP 3 -13.469 1.106 3.793
22 HB2 ASP 3 HB2 ASP 3 -15.565 -0.018 2.950
23 HB3 ASP 3 HB3 ASP 3 -14.559 -0.891 1.802
24 H MET 4 H MET 4 -11.713 -0.268 4.156
25 HA MET 4 HA MET 4 -9.590 0.057 2.244
26 HB2 MET 4 HB2 MET 4 -9.616 -1.230 4.984
27 HB3 MET 4 HB3 MET 4 -8.177 -0.949 4.016
28 HG2 MET 4 HG2 MET 4 -8.544 1.450 4.134
29 HG3 MET 4 HG3 MET 4 -10.014 1.187 5.071
30 HE1 MET 4 HE1 MET 4 -8.627 -0.290 8.405
31 HE2 MET 4 HE2 MET 4 -9.102 -1.237 6.997
32 HE3 MET 4 HE3 MET 4 -10.059 0.162 7.481
33 H ARG 5 H ARG 5 -11.180 -1.345 0.944
34 HA ARG 5 HA ARG 5 -10.137 -4.103 1.006
35 HB2 ARG 5 HB2 ARG 5 -12.861 -3.100 0.191
36 HB3 ARG 5 HB3 ARG 5 -12.281 -4.718 -0.148
37 HG2 ARG 5 HG2 ARG 5 -12.016 -5.131 2.226
38 HG3 ARG 5 HG3 ARG 5 -12.608 -3.506 2.568
39 HD2 ARG 5 HD2 ARG 5 -14.390 -5.142 2.847
40 HD3 ARG 5 HD3 ARG 5 -14.737 -4.063 1.499
41 HE ARG 5 HE ARG 5 -13.415 -6.498 0.725
42 HH11 ARG 5 HH11 ARG 5 -16.506 -4.998 1.375
43 HH12 ARG 5 HH12 ARG 5 -17.393 -6.095 0.370
44 HH21 ARG 5 HH21 ARG 5 -14.582 -7.953 -0.596
45 HH22 ARG 5 HH22 ARG 5 -16.299 -7.783 -0.745
46 H CYS 6 H CYS 6 -8.551 -2.499 -0.214
47 HA CYS 6 HA CYS 6 -7.673 -1.624 -2.086
48 HB2 CYS 6 HB2 CYS 6 -7.675 -4.037 -2.714
49 HB3 CYS 6 HB3 CYS 6 -9.246 -3.807 -3.474
50 H SER 7 H SER 7 -9.571 -0.132 -1.186
51 HA SER 7 HA SER 7 -10.882 0.992 -3.486
52 HB2 SER 7 HB2 SER 7 -12.452 -0.809 -2.889
53 HB3 SER 7 HB3 SER 7 -12.563 -0.172 -1.252
54 HG SER 7 HG SER 7 -13.064 1.795 -3.012
55 H ALA 8 H ALA 8 -9.712 1.163 -0.250
56 HA ALA 8 HA ALA 8 -11.176 3.456 0.622
57 HB1 ALA 8 HB1 ALA 8 -9.499 3.637 2.390
58 HB2 ALA 8 HB2 ALA 8 -8.526 2.407 1.585
59 HB3 ALA 8 HB3 ALA 8 -10.113 1.993 2.233
60 H SER 9 H SER 9 -8.832 3.030 -1.680
61 HA SER 9 HA SER 9 -8.029 4.498 -3.206
62 HB2 SER 9 HB2 SER 9 -10.103 5.846 -2.684
63 HB3 SER 9 HB3 SER 9 -9.156 6.716 -1.476
64 HG SER 9 HG SER 9 -7.844 7.519 -3.084
65 H VAL 10 H VAL 10 -6.965 3.911 -0.274
66 HA VAL 10 HA VAL 10 -4.556 5.550 -0.607
67 HB VAL 10 HB VAL 10 -4.465 6.015 1.826
68 HG11 VAL 10 HG11 VAL 10 -6.142 7.802 1.819
69 HG12 VAL 10 HG12 VAL 10 -6.905 7.070 0.407
70 HG13 VAL 10 HG13 VAL 10 -5.266 7.714 0.289
71 HG21 VAL 10 HG21 VAL 10 -7.298 4.973 1.828
72 HG22 VAL 10 HG22 VAL 10 -6.493 5.775 3.176
73 HG23 VAL 10 HG23 VAL 10 -5.913 4.211 2.608
74 H GLU 11 H GLU 11 -5.831 2.465 -0.001
75 HA GLU 11 HA GLU 11 -3.989 1.548 1.949
76 HB2 GLU 11 HB2 GLU 11 -5.292 -0.244 -0.088
77 HB3 GLU 11 HB3 GLU 11 -4.823 -0.624 1.554
78 HG2 GLU 11 HG2 GLU 11 -7.003 -0.390 1.949
79 HG3 GLU 11 HG3 GLU 11 -6.584 1.324 2.040
80 H CYS 12 H CYS 12 -3.917 1.710 -1.551
81 HA CYS 12 HA CYS 12 -1.478 0.194 -1.751
82 HB2 CYS 12 HB2 CYS 12 -2.836 1.894 -3.839
83 HB3 CYS 12 HB3 CYS 12 -1.535 0.736 -4.117
84 H LYS 13 H LYS 13 -1.889 2.962 -0.333
85 HA LYS 13 HA LYS 13 0.724 3.920 -1.256
86 HB2 LYS 13 HB2 LYS 13 -1.384 5.715 -0.051
87 HB3 LYS 13 HB3 LYS 13 0.097 6.187 -0.872
88 HG2 LYS 13 HG2 LYS 13 -2.169 4.779 -2.253
89 HG3 LYS 13 HG3 LYS 13 -2.022 6.532 -2.163
90 HD2 LYS 13 HD2 LYS 13 0.079 6.461 -3.337
91 HD3 LYS 13 HD3 LYS 13 0.070 4.697 -3.318
92 HE2 LYS 13 HE2 LYS 13 -0.611 5.539 -5.493
93 HE3 LYS 13 HE3 LYS 13 -1.945 4.696 -4.703
94 HZ1 LYS 13 HZ1 LYS 13 -2.891 6.792 -4.136
95 HZ2 LYS 13 HZ2 LYS 13 -2.601 6.788 -5.734
96 HZ3 LYS 13 HZ3 LYS 13 -1.618 7.611 -4.734
97 H GLN 14 H GLN 14 -1.560 3.712 1.443
98 HA GLN 14 HA GLN 14 0.425 4.617 3.328
99 HB2 GLN 14 HB2 GLN 14 -2.406 3.645 3.726
100 HB3 GLN 14 HB3 GLN 14 -1.385 4.295 5.001
101 HG2 GLN 14 HG2 GLN 14 -2.286 5.778 2.541
102 HG3 GLN 14 HG3 GLN 14 -2.956 5.956 4.162
103 HE21 GLN 14 HE21 GLN 14 -0.307 6.691 2.062
104 HE22 GLN 14 HE22 GLN 14 0.479 7.822 3.107
105 H LYS 15 H LYS 15 -1.237 1.503 2.682
106 HA LYS 15 HA LYS 15 -0.038 0.155 4.858
107 HB2 LYS 15 HB2 LYS 15 -1.939 -0.549 3.019
108 HB3 LYS 15 HB3 LYS 15 -0.560 -1.497 2.488
109 HG2 LYS 15 HG2 LYS 15 -1.644 -1.497 5.296
110 HG3 LYS 15 HG3 LYS 15 -2.016 -2.704 4.070
111 HD2 LYS 15 HD2 LYS 15 0.222 -3.471 4.005
112 HD3 LYS 15 HD3 LYS 15 0.800 -2.077 4.918
113 HE2 LYS 15 HE2 LYS 15 0.733 -4.077 6.312
114 HE3 LYS 15 HE3 LYS 15 -0.400 -2.860 6.892
115 HZ1 LYS 15 HZ1 LYS 15 -1.152 -5.159 5.234
116 HZ2 LYS 15 HZ2 LYS 15 -2.167 -4.083 5.913
117 HZ3 LYS 15 HZ3 LYS 15 -1.318 -5.098 6.852
118 H CYS 16 H CYS 16 0.856 0.501 1.484
119 HA CYS 16 HA CYS 16 3.226 -1.016 1.572
120 HB2 CYS 16 HB2 CYS 16 1.997 -0.097 -0.486
121 HB3 CYS 16 HB3 CYS 16 2.834 1.417 -0.163
122 H LEU 17 H LEU 17 2.466 2.225 2.585
123 HA LEU 17 HA LEU 17 5.161 3.106 2.860
124 HB2 LEU 17 HB2 LEU 17 2.791 4.377 2.763
125 HB3 LEU 17 HB3 LEU 17 3.012 4.331 4.501
126 HG LEU 17 HG LEU 17 5.121 5.434 2.664
127 HD11 LEU 17 HD11 LEU 17 4.209 7.658 3.158
128 HD12 LEU 17 HD12 LEU 17 2.823 6.899 3.941
129 HD13 LEU 17 HD13 LEU 17 3.097 6.667 2.214
130 HD21 LEU 17 HD21 LEU 17 5.843 6.617 4.661
131 HD22 LEU 17 HD22 LEU 17 5.795 4.880 4.961
132 HD23 LEU 17 HD23 LEU 17 4.509 5.918 5.576
133 H LYS 18 H LYS 18 2.805 1.530 4.906
134 HA LYS 18 HA LYS 18 4.359 1.588 7.293
135 HB2 LYS 18 HB2 LYS 18 2.166 -0.297 6.407
136 HB3 LYS 18 HB3 LYS 18 2.848 -0.250 8.025
137 HG2 LYS 18 HG2 LYS 18 1.441 2.055 6.697
138 HG3 LYS 18 HG3 LYS 18 0.684 0.922 7.820
139 HD2 LYS 18 HD2 LYS 18 2.269 1.587 9.557
140 HD3 LYS 18 HD3 LYS 18 3.032 2.712 8.436
141 HE2 LYS 18 HE2 LYS 18 0.166 2.821 9.362
142 HE3 LYS 18 HE3 LYS 18 1.474 3.840 9.958
143 HZ1 LYS 18 HZ1 LYS 18 1.704 4.690 7.704
144 HZ2 LYS 18 HZ2 LYS 18 0.223 4.988 8.303
145 HZ3 LYS 18 HZ3 LYS 18 0.429 3.800 7.217
146 H ALA 19 H ALA 19 4.074 -0.580 4.554
147 HA ALA 19 HA ALA 19 5.548 -2.734 5.609
148 HB1 ALA 19 HB1 ALA 19 4.056 -2.926 3.669
149 HB2 ALA 19 HB2 ALA 19 5.672 -3.544 3.329
150 HB3 ALA 19 HB3 ALA 19 5.187 -1.962 2.719
151 H ILE 20 H ILE 20 6.617 -0.410 3.090
152 HA ILE 20 HA ILE 20 9.330 -0.638 4.220
153 HB ILE 20 HB ILE 20 10.299 -0.608 1.967
154 HG12 ILE 20 HG12 ILE 20 7.443 -0.935 1.016
155 HG13 ILE 20 HG13 ILE 20 8.427 0.506 0.782
156 HG21 ILE 20 HG21 ILE 20 8.343 -2.855 2.435
157 HG22 ILE 20 HG22 ILE 20 9.978 -2.736 3.086
158 HG23 ILE 20 HG23 ILE 20 9.731 -2.918 1.349
159 HD11 ILE 20 HD11 ILE 20 8.324 -0.827 -1.232
160 HD12 ILE 20 HD12 ILE 20 8.973 -2.222 -0.367
161 HD13 ILE 20 HD13 ILE 20 9.971 -0.788 -0.601
162 H GLY 21 H GLY 21 6.849 1.412 3.290
163 HA2 GLY 21 HA2 GLY 21 6.929 3.763 3.602
164 HA3 GLY 21 HA3 GLY 21 8.670 3.707 3.362
165 H SER 22 H SER 22 6.039 2.401 1.403
166 HA SER 22 HA SER 22 6.958 4.064 -0.839
167 HB2 SER 22 HB2 SER 22 6.304 1.115 -0.793
168 HB3 SER 22 HB3 SER 22 6.517 2.032 -2.276
169 HG SER 22 HG SER 22 8.635 2.593 -1.492
170 H ILE 23 H ILE 23 5.371 4.709 -2.313
171 HA ILE 23 HA ILE 23 2.625 4.378 -1.338
172 HB ILE 23 HB ILE 23 2.057 6.362 -2.630
173 HG12 ILE 23 HG12 ILE 23 5.000 6.483 -3.331
174 HG13 ILE 23 HG13 ILE 23 3.720 6.029 -4.452
175 HG21 ILE 23 HG21 ILE 23 3.378 7.984 -1.328
176 HG22 ILE 23 HG22 ILE 23 4.484 6.684 -0.881
177 HG23 ILE 23 HG23 ILE 23 2.804 6.634 -0.346
178 HD11 ILE 23 HD11 ILE 23 4.399 8.329 -4.776
179 HD12 ILE 23 HD12 ILE 23 4.017 8.693 -3.093
180 HD13 ILE 23 HD13 ILE 23 2.731 8.240 -4.211
181 H PHE 24 H PHE 24 3.922 2.317 -2.806
182 HA PHE 24 HA PHE 24 2.405 2.363 -5.318
183 HB2 PHE 24 HB2 PHE 24 5.216 1.293 -5.000
184 HB3 PHE 24 HB3 PHE 24 4.288 1.404 -6.496
185 HD1 PHE 24 HD1 PHE 24 6.512 3.104 -4.255
186 HD2 PHE 24 HD2 PHE 24 3.636 3.698 -7.328
187 HE1 PHE 24 HE1 PHE 24 7.397 5.360 -4.638
188 HE2 PHE 24 HE2 PHE 24 4.507 5.958 -7.714
189 HZ PHE 24 HZ PHE 24 6.397 6.796 -6.373
190 H GLY 25 H GLY 25 1.384 1.296 -3.135
191 HA2 GLY 25 HA2 GLY 25 2.043 -1.382 -2.554
192 HA3 GLY 25 HA3 GLY 25 0.551 -0.557 -2.130
193 H LYS 26 H LYS 26 0.859 -3.250 -2.878
194 HA LYS 26 HA LYS 26 -0.580 -3.437 -5.450
195 HB2 LYS 26 HB2 LYS 26 1.007 -5.569 -3.997
196 HB3 LYS 26 HB3 LYS 26 0.273 -5.718 -5.592
197 HG2 LYS 26 HG2 LYS 26 2.500 -3.817 -4.881
198 HG3 LYS 26 HG3 LYS 26 2.701 -5.367 -5.698
199 HD2 LYS 26 HD2 LYS 26 1.425 -4.598 -7.586
200 HD3 LYS 26 HD3 LYS 26 1.017 -3.098 -6.752
201 HE2 LYS 26 HE2 LYS 26 2.798 -2.746 -8.383
202 HE3 LYS 26 HE3 LYS 26 3.369 -2.452 -6.742
203 HZ1 LYS 26 HZ1 LYS 26 4.363 -4.634 -6.777
204 HZ2 LYS 26 HZ2 LYS 26 4.941 -3.735 -7.997
205 HZ3 LYS 26 HZ3 LYS 26 3.846 -4.896 -8.298
206 H CYS 27 H CYS 27 -2.617 -4.231 -5.386
207 HA CYS 27 HA CYS 27 -4.019 -4.449 -2.968
208 HB2 CYS 27 HB2 CYS 27 -4.771 -5.458 -5.718
209 HB3 CYS 27 HB3 CYS 27 -5.871 -5.347 -4.349
210 H MET 28 H MET 28 -3.542 -5.922 -1.508
211 HA MET 28 HA MET 28 -3.852 -8.753 -2.203
212 HB2 MET 28 HB2 MET 28 -1.649 -7.695 -0.420
213 HB3 MET 28 HB3 MET 28 -1.968 -9.381 -0.778
214 HG2 MET 28 HG2 MET 28 -1.135 -7.341 -2.823
215 HG3 MET 28 HG3 MET 28 -0.028 -8.421 -1.981
216 HE1 MET 28 HE1 MET 28 -0.103 -8.212 -5.101
217 HE2 MET 28 HE2 MET 28 -0.081 -9.906 -5.585
218 HE3 MET 28 HE3 MET 28 0.938 -9.360 -4.256
219 H ASN 29 H ASN 29 -5.304 -9.618 -0.879
220 HA ASN 29 HA ASN 29 -6.926 -9.712 0.699
221 HB2 ASN 29 HB2 ASN 29 -6.052 -10.014 3.014
222 HB3 ASN 29 HB3 ASN 29 -5.250 -10.995 1.801
223 HD21 ASN 29 HD21 ASN 29 -3.106 -10.585 1.298
224 HD22 ASN 29 HD22 ASN 29 -2.096 -9.607 2.300
225 H LYS 30 H LYS 30 -7.449 -7.457 -0.190
226 HA LYS 30 HA LYS 30 -8.816 -5.719 0.338
227 HB2 LYS 30 HB2 LYS 30 -8.064 -6.290 3.203
228 HB3 LYS 30 HB3 LYS 30 -9.263 -5.110 2.699
229 HG2 LYS 30 HG2 LYS 30 -10.642 -6.860 1.759
230 HG3 LYS 30 HG3 LYS 30 -9.415 -8.068 2.152
231 HD2 LYS 30 HD2 LYS 30 -9.677 -7.552 4.531
232 HD3 LYS 30 HD3 LYS 30 -10.908 -6.354 4.135
233 HE2 LYS 30 HE2 LYS 30 -12.320 -8.104 3.192
234 HE3 LYS 30 HE3 LYS 30 -11.078 -9.305 3.545
235 HZ1 LYS 30 HZ1 LYS 30 -12.806 -9.252 5.214
236 HZ2 LYS 30 HZ2 LYS 30 -12.480 -7.699 5.560
237 HZ3 LYS 30 HZ3 LYS 30 -11.369 -8.847 5.865
238 H LYS 31 H LYS 31 -5.571 -5.795 1.603
239 HA LYS 31 HA LYS 31 -5.488 -2.866 1.308
240 HB2 LYS 31 HB2 LYS 31 -4.142 -4.653 3.297
241 HB3 LYS 31 HB3 LYS 31 -3.323 -3.181 2.789
242 HG2 LYS 31 HG2 LYS 31 -4.555 -2.783 4.819
243 HG3 LYS 31 HG3 LYS 31 -5.254 -1.858 3.493
244 HD2 LYS 31 HD2 LYS 31 -7.141 -2.692 4.503
245 HD3 LYS 31 HD3 LYS 31 -6.841 -3.916 3.271
246 HE2 LYS 31 HE2 LYS 31 -5.853 -4.146 6.102
247 HE3 LYS 31 HE3 LYS 31 -7.415 -4.764 5.576
248 HZ1 LYS 31 HZ1 LYS 31 -6.207 -6.146 3.986
249 HZ2 LYS 31 HZ2 LYS 31 -5.806 -6.488 5.521
250 HZ3 LYS 31 HZ3 LYS 31 -4.791 -5.626 4.596
251 H CYS 32 H CYS 32 -2.564 -2.854 1.424
252 HA CYS 32 HA CYS 32 -1.961 -4.199 -1.091
253 HB2 CYS 32 HB2 CYS 32 -1.750 -1.256 -0.557
254 HB3 CYS 32 HB3 CYS 32 -0.951 -2.047 -1.912
255 H LYS 33 H LYS 33 0.017 -4.968 -1.247
256 HA LYS 33 HA LYS 33 1.974 -4.284 0.849
257 HB2 LYS 33 HB2 LYS 33 2.170 -6.653 -0.988
258 HB3 LYS 33 HB3 LYS 33 2.880 -6.437 0.607
259 HG2 LYS 33 HG2 LYS 33 0.593 -6.535 1.563
260 HG3 LYS 33 HG3 LYS 33 -0.003 -6.909 -0.056
261 HD2 LYS 33 HD2 LYS 33 0.250 -8.963 1.190
262 HD3 LYS 33 HD3 LYS 33 1.461 -8.905 -0.091
263 HE2 LYS 33 HE2 LYS 33 3.136 -8.160 1.533
264 HE3 LYS 33 HE3 LYS 33 1.922 -8.220 2.809
265 HZ1 LYS 33 HZ1 LYS 33 2.920 -10.503 1.265
266 HZ2 LYS 33 HZ2 LYS 33 1.727 -10.591 2.365
267 HZ3 LYS 33 HZ3 LYS 33 3.231 -10.190 2.832
268 H CYS 34 H CYS 34 4.216 -4.117 0.160
269 HA CYS 34 HA CYS 34 4.492 -2.845 -2.407
270 HB2 CYS 34 HB2 CYS 34 6.687 -3.594 -0.474
271 HB3 CYS 34 HB3 CYS 34 6.731 -2.351 -1.730
Start of MODEL 6
1 H1 GLN 1 H1 GLN 1 -13.256 8.445 4.493
2 H2 GLN 1 H2 GLN 1 -14.096 9.104 3.272
3 H3 GLN 1 H3 GLN 1 -12.703 9.787 3.751
4 HA GLN 1 HA GLN 1 -12.358 8.617 1.719
5 HB2 GLN 1 HB2 GLN 1 -11.097 7.462 4.202
6 HB3 GLN 1 HB3 GLN 1 -10.615 6.952 2.591
7 HG2 GLN 1 HG2 GLN 1 -9.998 9.257 2.051
8 HG3 GLN 1 HG3 GLN 1 -10.466 9.756 3.675
9 HE21 GLN 1 HE21 GLN 1 -8.894 6.711 3.059
10 HE22 GLN 1 HE22 GLN 1 -7.380 7.123 3.785
11 H MET 2 H MET 2 -11.789 6.222 1.063
12 HA MET 2 HA MET 2 -14.257 4.732 1.193
13 HB2 MET 2 HB2 MET 2 -11.641 4.377 -0.251
14 HB3 MET 2 HB3 MET 2 -12.911 3.162 -0.311
15 HG2 MET 2 HG2 MET 2 -13.261 6.023 -1.155
16 HG3 MET 2 HG3 MET 2 -12.825 4.712 -2.251
17 HE1 MET 2 HE1 MET 2 -15.299 6.536 -2.832
18 HE2 MET 2 HE2 MET 2 -16.517 5.341 -3.268
19 HE3 MET 2 HE3 MET 2 -14.857 5.150 -3.828
20 H ASP 3 H ASP 3 -14.149 2.365 1.627
21 HA ASP 3 HA ASP 3 -12.997 1.985 4.236
22 HB2 ASP 3 HB2 ASP 3 -15.247 1.130 3.633
23 HB3 ASP 3 HB3 ASP 3 -14.495 0.020 2.492
24 H MET 4 H MET 4 -11.407 0.552 4.828
25 HA MET 4 HA MET 4 -9.354 0.120 2.891
26 HB2 MET 4 HB2 MET 4 -8.257 -1.070 4.943
27 HB3 MET 4 HB3 MET 4 -8.426 0.676 4.916
28 HG2 MET 4 HG2 MET 4 -9.005 -0.154 7.088
29 HG3 MET 4 HG3 MET 4 -10.446 0.479 6.306
30 HE1 MET 4 HE1 MET 4 -10.717 -1.243 8.875
31 HE2 MET 4 HE2 MET 4 -12.006 -2.355 8.415
32 HE3 MET 4 HE3 MET 4 -12.093 -0.660 7.939
33 H ARG 5 H ARG 5 -11.488 -1.245 2.055
34 HA ARG 5 HA ARG 5 -10.920 -4.071 2.568
35 HB2 ARG 5 HB2 ARG 5 -13.025 -4.469 1.301
36 HB3 ARG 5 HB3 ARG 5 -13.263 -3.486 2.734
37 HG2 ARG 5 HG2 ARG 5 -13.232 -1.475 1.287
38 HG3 ARG 5 HG3 ARG 5 -13.135 -2.541 -0.117
39 HD2 ARG 5 HD2 ARG 5 -15.434 -1.802 0.324
40 HD3 ARG 5 HD3 ARG 5 -15.261 -3.551 0.469
41 HE ARG 5 HE ARG 5 -14.907 -2.309 2.993
42 HH11 ARG 5 HH11 ARG 5 -17.410 -3.074 0.665
43 HH12 ARG 5 HH12 ARG 5 -18.651 -3.243 1.862
44 HH21 ARG 5 HH21 ARG 5 -16.533 -2.510 4.568
45 HH22 ARG 5 HH22 ARG 5 -18.153 -2.911 4.094
46 H CYS 6 H CYS 6 -9.107 -2.438 1.148
47 HA CYS 6 HA CYS 6 -7.661 -2.689 -0.589
48 HB2 CYS 6 HB2 CYS 6 -8.227 -5.128 -0.533
49 HB3 CYS 6 HB3 CYS 6 -9.530 -4.815 -1.670
50 H SER 7 H SER 7 -9.862 -0.934 -0.393
51 HA SER 7 HA SER 7 -9.961 0.029 -3.086
52 HB2 SER 7 HB2 SER 7 -11.822 -1.673 -2.996
53 HB3 SER 7 HB3 SER 7 -12.588 -0.680 -1.757
54 HG SER 7 HG SER 7 -12.676 1.025 -3.273
55 H ALA 8 H ALA 8 -9.243 0.697 -0.156
56 HA ALA 8 HA ALA 8 -10.951 2.913 0.498
57 HB1 ALA 8 HB1 ALA 8 -8.227 2.150 1.522
58 HB2 ALA 8 HB2 ALA 8 -9.787 1.848 2.290
59 HB3 ALA 8 HB3 ALA 8 -9.183 3.496 2.141
60 H SER 9 H SER 9 -8.689 2.416 -1.849
61 HA SER 9 HA SER 9 -7.762 3.735 -3.441
62 HB2 SER 9 HB2 SER 9 -9.955 5.012 -3.195
63 HB3 SER 9 HB3 SER 9 -9.098 6.103 -2.109
64 HG SER 9 HG SER 9 -7.565 5.961 -4.184
65 H VAL 10 H VAL 10 -6.832 3.433 -0.518
66 HA VAL 10 HA VAL 10 -4.650 5.377 -0.700
67 HB VAL 10 HB VAL 10 -6.474 6.244 0.781
68 HG11 VAL 10 HG11 VAL 10 -7.188 4.132 1.753
69 HG12 VAL 10 HG12 VAL 10 -6.739 5.288 3.006
70 HG13 VAL 10 HG13 VAL 10 -5.639 3.978 2.581
71 HG21 VAL 10 HG21 VAL 10 -4.172 7.026 0.987
72 HG22 VAL 10 HG22 VAL 10 -3.833 5.727 2.129
73 HG23 VAL 10 HG23 VAL 10 -4.985 6.992 2.551
74 H GLU 11 H GLU 11 -5.666 2.166 0.050
75 HA GLU 11 HA GLU 11 -3.634 1.490 1.906
76 HB2 GLU 11 HB2 GLU 11 -4.940 -0.434 -0.023
77 HB3 GLU 11 HB3 GLU 11 -4.238 -0.797 1.537
78 HG2 GLU 11 HG2 GLU 11 -6.364 -0.803 2.198
79 HG3 GLU 11 HG3 GLU 11 -6.123 0.944 2.290
80 H CYS 12 H CYS 12 -3.816 1.503 -1.604
81 HA CYS 12 HA CYS 12 -1.289 0.205 -1.956
82 HB2 CYS 12 HB2 CYS 12 -2.840 1.892 -3.926
83 HB3 CYS 12 HB3 CYS 12 -1.503 0.811 -4.308
84 H LYS 13 H LYS 13 -1.802 2.918 -0.456
85 HA LYS 13 HA LYS 13 0.682 4.088 -1.481
86 HB2 LYS 13 HB2 LYS 13 -1.567 5.658 -0.202
87 HB3 LYS 13 HB3 LYS 13 -0.116 6.303 -0.953
88 HG2 LYS 13 HG2 LYS 13 -2.066 4.699 -2.553
89 HG3 LYS 13 HG3 LYS 13 -2.356 6.404 -2.221
90 HD2 LYS 13 HD2 LYS 13 0.163 5.342 -3.484
91 HD3 LYS 13 HD3 LYS 13 -1.220 5.941 -4.399
92 HE2 LYS 13 HE2 LYS 13 0.457 7.508 -2.443
93 HE3 LYS 13 HE3 LYS 13 0.462 7.672 -4.197
94 HZ1 LYS 13 HZ1 LYS 13 -1.882 8.333 -4.000
95 HZ2 LYS 13 HZ2 LYS 13 -0.868 9.372 -3.274
96 HZ3 LYS 13 HZ3 LYS 13 -1.739 8.333 -2.379
97 H GLN 14 H GLN 14 -1.498 3.847 1.312
98 HA GLN 14 HA GLN 14 0.632 4.677 3.095
99 HB2 GLN 14 HB2 GLN 14 -2.274 4.038 3.592
100 HB3 GLN 14 HB3 GLN 14 -1.152 4.551 4.844
101 HG2 GLN 14 HG2 GLN 14 -1.945 6.132 2.412
102 HG3 GLN 14 HG3 GLN 14 -2.488 6.414 4.065
103 HE21 GLN 14 HE21 GLN 14 0.168 5.789 5.137
104 HE22 GLN 14 HE22 GLN 14 1.148 7.174 4.800
105 H LYS 15 H LYS 15 -1.298 1.724 2.541
106 HA LYS 15 HA LYS 15 -0.219 0.345 4.766
107 HB2 LYS 15 HB2 LYS 15 -2.093 -0.244 2.733
108 HB3 LYS 15 HB3 LYS 15 -0.870 -1.505 2.687
109 HG2 LYS 15 HG2 LYS 15 -2.334 -0.649 5.173
110 HG3 LYS 15 HG3 LYS 15 -2.779 -2.025 4.171
111 HD2 LYS 15 HD2 LYS 15 -0.143 -1.671 5.592
112 HD3 LYS 15 HD3 LYS 15 -1.467 -2.707 6.127
113 HE2 LYS 15 HE2 LYS 15 -1.259 -4.027 4.074
114 HE3 LYS 15 HE3 LYS 15 0.066 -2.992 3.543
115 HZ1 LYS 15 HZ1 LYS 15 0.895 -4.980 4.544
116 HZ2 LYS 15 HZ2 LYS 15 0.083 -4.704 5.922
117 HZ3 LYS 15 HZ3 LYS 15 1.292 -3.712 5.484
118 H CYS 16 H CYS 16 0.796 0.693 1.440
119 HA CYS 16 HA CYS 16 2.988 -1.126 1.628
120 HB2 CYS 16 HB2 CYS 16 1.861 -0.233 -0.505
121 HB3 CYS 16 HB3 CYS 16 2.833 1.215 -0.264
122 H LEU 17 H LEU 17 2.441 2.191 2.452
123 HA LEU 17 HA LEU 17 5.176 2.939 2.739
124 HB2 LEU 17 HB2 LEU 17 3.030 4.400 2.446
125 HB3 LEU 17 HB3 LEU 17 2.892 4.248 4.185
126 HG LEU 17 HG LEU 17 5.379 5.326 2.877
127 HD11 LEU 17 HD11 LEU 17 2.949 6.862 3.784
128 HD12 LEU 17 HD12 LEU 17 3.520 6.689 2.124
129 HD13 LEU 17 HD13 LEU 17 4.491 7.570 3.303
130 HD21 LEU 17 HD21 LEU 17 5.582 4.630 5.213
131 HD22 LEU 17 HD22 LEU 17 4.212 5.654 5.643
132 HD23 LEU 17 HD23 LEU 17 5.709 6.382 5.059
133 H LYS 18 H LYS 18 2.630 1.769 4.864
134 HA LYS 18 HA LYS 18 4.119 1.751 7.263
135 HB2 LYS 18 HB2 LYS 18 1.801 0.024 6.375
136 HB3 LYS 18 HB3 LYS 18 2.414 0.099 8.021
137 HG2 LYS 18 HG2 LYS 18 1.776 2.400 8.211
138 HG3 LYS 18 HG3 LYS 18 1.318 2.458 6.509
139 HD2 LYS 18 HD2 LYS 18 -0.453 0.836 6.921
140 HD3 LYS 18 HD3 LYS 18 0.022 0.729 8.616
141 HE2 LYS 18 HE2 LYS 18 -0.999 3.197 7.212
142 HE3 LYS 18 HE3 LYS 18 -1.923 2.182 8.319
143 HZ1 LYS 18 HZ1 LYS 18 -0.364 2.772 10.045
144 HZ2 LYS 18 HZ2 LYS 18 -1.047 4.110 9.426
145 HZ3 LYS 18 HZ3 LYS 18 0.476 3.720 9.022
146 H ALA 19 H ALA 19 3.836 -0.486 4.590
147 HA ALA 19 HA ALA 19 5.166 -2.673 5.799
148 HB1 ALA 19 HB1 ALA 19 3.723 -2.912 3.835
149 HB2 ALA 19 HB2 ALA 19 5.328 -3.582 3.553
150 HB3 ALA 19 HB3 ALA 19 4.895 -2.017 2.869
151 H ILE 20 H ILE 20 6.438 -0.841 3.019
152 HA ILE 20 HA ILE 20 9.110 -1.103 4.242
153 HB ILE 20 HB ILE 20 10.083 -1.167 2.038
154 HG12 ILE 20 HG12 ILE 20 7.265 -0.931 0.956
155 HG13 ILE 20 HG13 ILE 20 8.460 0.360 0.944
156 HG21 ILE 20 HG21 ILE 20 7.738 -3.058 2.218
157 HG22 ILE 20 HG22 ILE 20 9.319 -3.287 2.968
158 HG23 ILE 20 HG23 ILE 20 9.169 -3.284 1.211
159 HD11 ILE 20 HD11 ILE 20 9.867 -0.920 -0.549
160 HD12 ILE 20 HD12 ILE 20 8.245 -0.752 -1.226
161 HD13 ILE 20 HD13 ILE 20 8.740 -2.273 -0.483
162 H GLY 21 H GLY 21 6.753 1.074 3.078
163 HA2 GLY 21 HA2 GLY 21 6.965 3.438 3.519
164 HA3 GLY 21 HA3 GLY 21 8.696 3.285 3.249
165 H SER 22 H SER 22 5.988 2.070 1.324
166 HA SER 22 HA SER 22 6.940 3.717 -0.928
167 HB2 SER 22 HB2 SER 22 7.526 1.264 -1.098
168 HB3 SER 22 HB3 SER 22 5.807 0.913 -1.132
169 HG SER 22 HG SER 22 7.263 2.485 -2.998
170 H ILE 23 H ILE 23 5.368 4.685 -2.170
171 HA ILE 23 HA ILE 23 2.615 4.372 -1.216
172 HB ILE 23 HB ILE 23 2.104 6.471 -2.290
173 HG12 ILE 23 HG12 ILE 23 5.004 6.580 -3.144
174 HG13 ILE 23 HG13 ILE 23 3.675 6.171 -4.223
175 HG21 ILE 23 HG21 ILE 23 2.999 6.551 -0.046
176 HG22 ILE 23 HG22 ILE 23 3.555 7.950 -0.966
177 HG23 ILE 23 HG23 ILE 23 4.643 6.592 -0.678
178 HD11 ILE 23 HD11 ILE 23 2.693 8.373 -3.819
179 HD12 ILE 23 HD12 ILE 23 4.317 8.478 -4.498
180 HD13 ILE 23 HD13 ILE 23 4.057 8.777 -2.779
181 H PHE 24 H PHE 24 4.047 2.510 -2.968
182 HA PHE 24 HA PHE 24 2.272 2.620 -5.312
183 HB2 PHE 24 HB2 PHE 24 5.099 1.542 -5.335
184 HB3 PHE 24 HB3 PHE 24 4.048 1.831 -6.721
185 HD1 PHE 24 HD1 PHE 24 3.560 4.146 -7.439
186 HD2 PHE 24 HD2 PHE 24 6.344 3.302 -4.339
187 HE1 PHE 24 HE1 PHE 24 4.481 6.416 -7.652
188 HE2 PHE 24 HE2 PHE 24 7.277 5.558 -4.544
189 HZ PHE 24 HZ PHE 24 6.348 7.126 -6.209
190 H GLY 25 H GLY 25 1.396 1.436 -3.180
191 HA2 GLY 25 HA2 GLY 25 2.219 -1.227 -2.683
192 HA3 GLY 25 HA3 GLY 25 0.717 -0.476 -2.162
193 H LYS 26 H LYS 26 0.918 -3.149 -2.928
194 HA LYS 26 HA LYS 26 -0.620 -3.184 -5.445
195 HB2 LYS 26 HB2 LYS 26 1.238 -5.325 -4.372
196 HB3 LYS 26 HB3 LYS 26 0.294 -5.435 -5.857
197 HG2 LYS 26 HG2 LYS 26 2.503 -3.459 -5.308
198 HG3 LYS 26 HG3 LYS 26 2.625 -4.900 -6.317
199 HD2 LYS 26 HD2 LYS 26 1.031 -4.003 -7.881
200 HD3 LYS 26 HD3 LYS 26 0.714 -2.624 -6.829
201 HE2 LYS 26 HE2 LYS 26 2.183 -1.970 -8.646
202 HE3 LYS 26 HE3 LYS 26 3.039 -1.889 -7.108
203 HZ1 LYS 26 HZ1 LYS 26 4.371 -2.913 -8.812
204 HZ2 LYS 26 HZ2 LYS 26 3.257 -4.072 -9.055
205 HZ3 LYS 26 HZ3 LYS 26 4.049 -3.997 -7.640
206 H CYS 27 H CYS 27 -2.583 -4.052 -5.338
207 HA CYS 27 HA CYS 27 -3.967 -4.409 -2.991
208 HB2 CYS 27 HB2 CYS 27 -5.065 -4.023 -5.111
209 HB3 CYS 27 HB3 CYS 27 -4.523 -5.580 -5.721
210 H MET 28 H MET 28 -3.489 -5.808 -1.414
211 HA MET 28 HA MET 28 -3.484 -8.669 -1.968
212 HB2 MET 28 HB2 MET 28 -1.163 -7.257 -0.645
213 HB3 MET 28 HB3 MET 28 -1.428 -8.990 -0.546
214 HG2 MET 28 HG2 MET 28 -0.960 -7.432 -3.079
215 HG3 MET 28 HG3 MET 28 0.244 -8.396 -2.227
216 HE1 MET 28 HE1 MET 28 0.749 -9.663 -4.522
217 HE2 MET 28 HE2 MET 28 -0.494 -8.715 -5.337
218 HE3 MET 28 HE3 MET 28 -0.490 -10.472 -5.481
219 H ASN 29 H ASN 29 -4.500 -9.755 -0.419
220 HA ASN 29 HA ASN 29 -5.848 -10.121 1.356
221 HB2 ASN 29 HB2 ASN 29 -4.697 -10.057 3.547
222 HB3 ASN 29 HB3 ASN 29 -3.793 -10.881 2.291
223 HD21 ASN 29 HD21 ASN 29 -1.873 -10.004 1.569
224 HD22 ASN 29 HD22 ASN 29 -1.055 -8.739 2.419
225 H LYS 30 H LYS 30 -6.809 -7.946 0.366
226 HA LYS 30 HA LYS 30 -8.428 -6.456 0.877
227 HB2 LYS 30 HB2 LYS 30 -7.752 -7.206 3.708
228 HB3 LYS 30 HB3 LYS 30 -8.968 -6.000 3.314
229 HG2 LYS 30 HG2 LYS 30 -10.195 -7.679 2.015
230 HG3 LYS 30 HG3 LYS 30 -8.989 -8.886 2.463
231 HD2 LYS 30 HD2 LYS 30 -9.567 -8.668 4.791
232 HD3 LYS 30 HD3 LYS 30 -10.662 -7.333 4.432
233 HE2 LYS 30 HE2 LYS 30 -10.975 -10.152 3.412
234 HE3 LYS 30 HE3 LYS 30 -11.831 -9.477 4.795
235 HZ1 LYS 30 HZ1 LYS 30 -12.798 -7.859 3.303
236 HZ2 LYS 30 HZ2 LYS 30 -13.169 -9.366 2.830
237 HZ3 LYS 30 HZ3 LYS 30 -12.035 -8.524 2.029
238 H LYS 31 H LYS 31 -5.214 -6.002 1.554
239 HA LYS 31 HA LYS 31 -5.668 -3.097 1.489
240 HB2 LYS 31 HB2 LYS 31 -3.639 -4.568 3.178
241 HB3 LYS 31 HB3 LYS 31 -3.433 -2.882 2.731
242 HG2 LYS 31 HG2 LYS 31 -4.350 -2.847 4.883
243 HG3 LYS 31 HG3 LYS 31 -5.691 -2.465 3.805
244 HD2 LYS 31 HD2 LYS 31 -6.498 -4.011 5.420
245 HD3 LYS 31 HD3 LYS 31 -6.328 -4.884 3.896
246 HE2 LYS 31 HE2 LYS 31 -4.131 -5.725 4.675
247 HE3 LYS 31 HE3 LYS 31 -4.408 -4.932 6.226
248 HZ1 LYS 31 HZ1 LYS 31 -6.007 -7.105 5.071
249 HZ2 LYS 31 HZ2 LYS 31 -6.384 -6.325 6.446
250 HZ3 LYS 31 HZ3 LYS 31 -5.024 -7.207 6.366
251 H CYS 32 H CYS 32 -2.713 -2.714 1.331
252 HA CYS 32 HA CYS 32 -2.159 -4.122 -1.164
253 HB2 CYS 32 HB2 CYS 32 -1.906 -1.162 -0.704
254 HB3 CYS 32 HB3 CYS 32 -1.208 -2.006 -2.082
255 H LYS 33 H LYS 33 -0.306 -5.029 -1.204
256 HA LYS 33 HA LYS 33 1.764 -4.269 0.741
257 HB2 LYS 33 HB2 LYS 33 1.215 -6.442 1.300
258 HB3 LYS 33 HB3 LYS 33 0.780 -6.865 -0.349
259 HG2 LYS 33 HG2 LYS 33 3.104 -6.993 -0.974
260 HG3 LYS 33 HG3 LYS 33 3.593 -6.472 0.642
261 HD2 LYS 33 HD2 LYS 33 2.040 -8.989 0.035
262 HD3 LYS 33 HD3 LYS 33 3.781 -8.922 0.311
263 HE2 LYS 33 HE2 LYS 33 3.397 -8.052 2.559
264 HE3 LYS 33 HE3 LYS 33 1.658 -8.087 2.284
265 HZ1 LYS 33 HZ1 LYS 33 1.796 -10.457 2.074
266 HZ2 LYS 33 HZ2 LYS 33 2.419 -10.003 3.504
267 HZ3 LYS 33 HZ3 LYS 33 3.409 -10.437 2.293
268 H CYS 34 H CYS 34 3.863 -4.011 0.022
269 HA CYS 34 HA CYS 34 4.300 -3.298 -2.680
270 HB2 CYS 34 HB2 CYS 34 6.513 -4.025 -0.781
271 HB3 CYS 34 HB3 CYS 34 6.474 -2.756 -2.007
Start of MODEL 7
1 H1 GLN 1 H1 GLN 1 -12.776 9.133 2.405
2 H2 GLN 1 H2 GLN 1 -11.386 9.592 3.106
3 H3 GLN 1 H3 GLN 1 -12.502 8.783 3.967
4 HA GLN 1 HA GLN 1 -11.039 7.698 1.683
5 HB2 GLN 1 HB2 GLN 1 -10.700 7.331 4.655
6 HB3 GLN 1 HB3 GLN 1 -10.132 6.129 3.509
7 HG2 GLN 1 HG2 GLN 1 -8.308 7.549 4.158
8 HG3 GLN 1 HG3 GLN 1 -8.698 7.837 2.465
9 HE21 GLN 1 HE21 GLN 1 -9.557 9.803 1.849
10 HE22 GLN 1 HE22 GLN 1 -9.567 11.184 2.895
11 H MET 2 H MET 2 -11.342 5.361 1.469
12 HA MET 2 HA MET 2 -14.090 4.586 2.192
13 HB2 MET 2 HB2 MET 2 -12.340 3.341 0.073
14 HB3 MET 2 HB3 MET 2 -14.062 3.104 0.309
15 HG2 MET 2 HG2 MET 2 -12.746 5.673 -0.540
16 HG3 MET 2 HG3 MET 2 -13.567 4.537 -1.606
17 HE1 MET 2 HE1 MET 2 -16.138 4.230 -1.766
18 HE2 MET 2 HE2 MET 2 -17.284 4.870 -0.588
19 HE3 MET 2 HE3 MET 2 -16.121 3.638 -0.104
20 H ASP 3 H ASP 3 -14.255 2.089 2.294
21 HA ASP 3 HA ASP 3 -12.859 1.318 4.642
22 HB2 ASP 3 HB2 ASP 3 -15.169 0.560 4.000
23 HB3 ASP 3 HB3 ASP 3 -14.428 -0.469 2.778
24 H MET 4 H MET 4 -11.307 -0.264 4.956
25 HA MET 4 HA MET 4 -9.412 -0.584 2.824
26 HB2 MET 4 HB2 MET 4 -8.023 -1.728 4.514
27 HB3 MET 4 HB3 MET 4 -8.563 -0.144 5.049
28 HG2 MET 4 HG2 MET 4 -9.894 -2.717 5.831
29 HG3 MET 4 HG3 MET 4 -8.632 -1.937 6.782
30 HE1 MET 4 HE1 MET 4 -11.573 -2.739 7.838
31 HE2 MET 4 HE2 MET 4 -11.944 -1.326 8.826
32 HE3 MET 4 HE3 MET 4 -10.325 -2.027 8.860
33 H ARG 5 H ARG 5 -11.565 -1.675 1.941
34 HA ARG 5 HA ARG 5 -11.197 -4.582 2.173
35 HB2 ARG 5 HB2 ARG 5 -13.447 -4.715 1.099
36 HB3 ARG 5 HB3 ARG 5 -13.466 -3.921 2.663
37 HG2 ARG 5 HG2 ARG 5 -13.458 -1.738 1.476
38 HG3 ARG 5 HG3 ARG 5 -13.595 -2.620 -0.045
39 HD2 ARG 5 HD2 ARG 5 -15.561 -2.764 2.234
40 HD3 ARG 5 HD3 ARG 5 -15.768 -1.801 0.773
41 HE ARG 5 HE ARG 5 -15.344 -4.346 -0.131
42 HH11 ARG 5 HH11 ARG 5 -17.632 -2.835 2.033
43 HH12 ARG 5 HH12 ARG 5 -18.915 -3.939 1.660
44 HH21 ARG 5 HH21 ARG 5 -17.019 -5.814 -0.619
45 HH22 ARG 5 HH22 ARG 5 -18.563 -5.645 0.155
46 H CYS 6 H CYS 6 -9.379 -3.029 0.762
47 HA CYS 6 HA CYS 6 -8.252 -2.921 -1.196
48 HB2 CYS 6 HB2 CYS 6 -8.760 -5.387 -1.297
49 HB3 CYS 6 HB3 CYS 6 -10.180 -4.996 -2.254
50 H SER 7 H SER 7 -10.271 -1.189 -0.574
51 HA SER 7 HA SER 7 -10.712 -0.028 -3.158
52 HB2 SER 7 HB2 SER 7 -13.105 -0.620 -1.401
53 HB3 SER 7 HB3 SER 7 -13.104 0.167 -2.969
54 HG SER 7 HG SER 7 -11.927 -2.066 -3.436
55 H ALA 8 H ALA 8 -9.426 0.419 -0.374
56 HA ALA 8 HA ALA 8 -10.972 2.465 0.864
57 HB1 ALA 8 HB1 ALA 8 -8.066 1.816 1.254
58 HB2 ALA 8 HB2 ALA 8 -9.414 1.117 2.147
59 HB3 ALA 8 HB3 ALA 8 -9.052 2.833 2.301
60 H SER 9 H SER 9 -8.888 2.400 -1.790
61 HA SER 9 HA SER 9 -8.175 3.969 -3.263
62 HB2 SER 9 HB2 SER 9 -10.332 5.116 -2.912
63 HB3 SER 9 HB3 SER 9 -9.659 5.953 -1.514
64 HG SER 9 HG SER 9 -8.036 6.771 -3.060
65 H VAL 10 H VAL 10 -6.946 3.319 -0.524
66 HA VAL 10 HA VAL 10 -4.846 5.336 -0.656
67 HB VAL 10 HB VAL 10 -6.628 6.170 0.891
68 HG11 VAL 10 HG11 VAL 10 -5.727 3.868 2.612
69 HG12 VAL 10 HG12 VAL 10 -7.318 4.071 1.877
70 HG13 VAL 10 HG13 VAL 10 -6.776 5.188 3.131
71 HG21 VAL 10 HG21 VAL 10 -4.330 6.961 1.017
72 HG22 VAL 10 HG22 VAL 10 -3.943 5.651 2.131
73 HG23 VAL 10 HG23 VAL 10 -5.082 6.908 2.613
74 H GLU 11 H GLU 11 -5.714 2.101 -0.161
75 HA GLU 11 HA GLU 11 -3.843 1.344 1.831
76 HB2 GLU 11 HB2 GLU 11 -4.720 -0.581 -0.287
77 HB3 GLU 11 HB3 GLU 11 -4.473 -0.857 1.426
78 HG2 GLU 11 HG2 GLU 11 -6.725 -0.965 1.345
79 HG3 GLU 11 HG3 GLU 11 -6.524 0.762 1.643
80 H CYS 12 H CYS 12 -3.736 1.584 -1.665
81 HA CYS 12 HA CYS 12 -1.211 0.235 -1.873
82 HB2 CYS 12 HB2 CYS 12 -2.540 1.922 -3.990
83 HB3 CYS 12 HB3 CYS 12 -1.327 0.659 -4.214
84 H LYS 13 H LYS 13 -1.793 2.950 -0.420
85 HA LYS 13 HA LYS 13 0.770 4.041 -1.309
86 HB2 LYS 13 HB2 LYS 13 -1.454 5.715 -0.131
87 HB3 LYS 13 HB3 LYS 13 0.045 6.281 -0.853
88 HG2 LYS 13 HG2 LYS 13 -2.027 4.791 -2.428
89 HG3 LYS 13 HG3 LYS 13 -2.064 6.541 -2.224
90 HD2 LYS 13 HD2 LYS 13 0.151 6.715 -3.235
91 HD3 LYS 13 HD3 LYS 13 0.217 4.960 -3.410
92 HE2 LYS 13 HE2 LYS 13 -0.398 6.015 -5.511
93 HE3 LYS 13 HE3 LYS 13 -1.727 5.038 -4.892
94 HZ1 LYS 13 HZ1 LYS 13 -1.519 7.953 -4.634
95 HZ2 LYS 13 HZ2 LYS 13 -2.758 7.044 -4.111
96 HZ3 LYS 13 HZ3 LYS 13 -2.466 7.174 -5.704
97 H GLN 14 H GLN 14 -1.520 3.787 1.414
98 HA GLN 14 HA GLN 14 0.524 4.672 3.265
99 HB2 GLN 14 HB2 GLN 14 -2.340 3.822 3.686
100 HB3 GLN 14 HB3 GLN 14 -1.270 4.307 4.995
101 HG2 GLN 14 HG2 GLN 14 -2.157 6.000 2.674
102 HG3 GLN 14 HG3 GLN 14 -2.666 6.157 4.354
103 HE21 GLN 14 HE21 GLN 14 -0.160 6.728 2.048
104 HE22 GLN 14 HE22 GLN 14 0.823 7.737 3.049
105 H LYS 15 H LYS 15 -1.213 1.612 2.638
106 HA LYS 15 HA LYS 15 0.032 0.162 4.720
107 HB2 LYS 15 HB2 LYS 15 -1.917 -0.419 2.971
108 HB3 LYS 15 HB3 LYS 15 -0.572 -1.236 2.192
109 HG2 LYS 15 HG2 LYS 15 -1.750 -2.774 3.626
110 HG3 LYS 15 HG3 LYS 15 -0.125 -2.491 4.241
111 HD2 LYS 15 HD2 LYS 15 -1.033 -0.896 5.873
112 HD3 LYS 15 HD3 LYS 15 -2.656 -1.195 5.255
113 HE2 LYS 15 HE2 LYS 15 -2.279 -2.458 7.291
114 HE3 LYS 15 HE3 LYS 15 -2.461 -3.550 5.919
115 HZ1 LYS 15 HZ1 LYS 15 -0.101 -3.812 5.874
116 HZ2 LYS 15 HZ2 LYS 15 -0.631 -4.159 7.369
117 HZ3 LYS 15 HZ3 LYS 15 0.109 -2.743 7.082
118 H CYS 16 H CYS 16 0.818 0.782 1.382
119 HA CYS 16 HA CYS 16 3.180 -0.675 1.112
120 HB2 CYS 16 HB2 CYS 16 1.807 0.723 -0.612
121 HB3 CYS 16 HB3 CYS 16 2.825 2.057 -0.081
122 H LEU 17 H LEU 17 2.507 2.414 2.592
123 HA LEU 17 HA LEU 17 5.249 3.193 2.869
124 HB2 LEU 17 HB2 LEU 17 2.887 4.530 2.832
125 HB3 LEU 17 HB3 LEU 17 3.191 4.470 4.556
126 HG LEU 17 HG LEU 17 5.239 5.503 2.617
127 HD11 LEU 17 HD11 LEU 17 3.243 6.818 2.293
128 HD12 LEU 17 HD12 LEU 17 4.446 7.755 3.177
129 HD13 LEU 17 HD13 LEU 17 3.079 7.044 4.034
130 HD21 LEU 17 HD21 LEU 17 5.988 4.878 4.886
131 HD22 LEU 17 HD22 LEU 17 4.814 6.008 5.559
132 HD23 LEU 17 HD23 LEU 17 6.147 6.606 4.569
133 H LYS 18 H LYS 18 2.744 1.848 4.947
134 HA LYS 18 HA LYS 18 4.359 1.762 7.288
135 HB2 LYS 18 HB2 LYS 18 1.921 0.124 6.556
136 HB3 LYS 18 HB3 LYS 18 2.618 0.257 8.167
137 HG2 LYS 18 HG2 LYS 18 2.116 2.633 8.210
138 HG3 LYS 18 HG3 LYS 18 1.465 2.538 6.575
139 HD2 LYS 18 HD2 LYS 18 -0.252 0.959 7.388
140 HD3 LYS 18 HD3 LYS 18 0.378 1.157 9.026
141 HE2 LYS 18 HE2 LYS 18 -0.096 3.580 8.874
142 HE3 LYS 18 HE3 LYS 18 -0.810 3.316 7.285
143 HZ1 LYS 18 HZ1 LYS 18 -1.780 2.182 9.812
144 HZ2 LYS 18 HZ2 LYS 18 -2.419 1.872 8.351
145 HZ3 LYS 18 HZ3 LYS 18 -2.492 3.374 8.962
146 H ALA 19 H ALA 19 4.022 -0.236 4.482
147 HA ALA 19 HA ALA 19 5.347 -2.533 5.540
148 HB1 ALA 19 HB1 ALA 19 3.911 -2.680 3.570
149 HB2 ALA 19 HB2 ALA 19 5.544 -3.246 3.212
150 HB3 ALA 19 HB3 ALA 19 5.026 -1.647 2.675
151 H ILE 20 H ILE 20 6.514 -0.373 2.949
152 HA ILE 20 HA ILE 20 9.225 -0.669 4.070
153 HB ILE 20 HB ILE 20 10.097 -0.846 1.760
154 HG12 ILE 20 HG12 ILE 20 7.208 -1.272 0.981
155 HG13 ILE 20 HG13 ILE 20 8.110 0.207 0.667
156 HG21 ILE 20 HG21 ILE 20 9.815 -2.848 3.097
157 HG22 ILE 20 HG22 ILE 20 9.458 -3.189 1.404
158 HG23 ILE 20 HG23 ILE 20 8.141 -2.993 2.561
159 HD11 ILE 20 HD11 ILE 20 8.052 -1.106 -1.322
160 HD12 ILE 20 HD12 ILE 20 8.658 -2.524 -0.464
161 HD13 ILE 20 HD13 ILE 20 9.700 -1.120 -0.693
162 H GLY 21 H GLY 21 7.045 1.550 3.781
163 HA2 GLY 21 HA2 GLY 21 7.175 3.851 3.709
164 HA3 GLY 21 HA3 GLY 21 8.903 3.697 3.444
165 H SER 22 H SER 22 6.215 2.465 1.519
166 HA SER 22 HA SER 22 7.152 4.101 -0.744
167 HB2 SER 22 HB2 SER 22 6.209 1.226 -0.718
168 HB3 SER 22 HB3 SER 22 6.548 2.135 -2.184
169 HG SER 22 HG SER 22 8.603 2.257 -0.392
170 H ILE 23 H ILE 23 5.435 4.319 -2.468
171 HA ILE 23 HA ILE 23 2.733 4.269 -1.306
172 HB ILE 23 HB ILE 23 2.209 6.347 -2.538
173 HG12 ILE 23 HG12 ILE 23 5.197 6.529 -2.951
174 HG13 ILE 23 HG13 ILE 23 4.043 6.118 -4.214
175 HG21 ILE 23 HG21 ILE 23 2.752 6.436 -0.180
176 HG22 ILE 23 HG22 ILE 23 3.394 7.860 -1.002
177 HG23 ILE 23 HG23 ILE 23 4.471 6.534 -0.560
178 HD11 ILE 23 HD11 ILE 23 2.988 8.290 -3.959
179 HD12 ILE 23 HD12 ILE 23 4.704 8.441 -4.339
180 HD13 ILE 23 HD13 ILE 23 4.139 8.701 -2.688
181 H PHE 24 H PHE 24 3.906 2.278 -2.894
182 HA PHE 24 HA PHE 24 2.303 2.469 -5.343
183 HB2 PHE 24 HB2 PHE 24 5.122 1.368 -5.235
184 HB3 PHE 24 HB3 PHE 24 4.115 1.560 -6.668
185 HD1 PHE 24 HD1 PHE 24 6.228 3.261 -4.224
186 HD2 PHE 24 HD2 PHE 24 3.731 3.761 -7.629
187 HE1 PHE 24 HE1 PHE 24 7.145 5.509 -4.555
188 HE2 PHE 24 HE2 PHE 24 4.637 6.020 -7.967
189 HZ PHE 24 HZ PHE 24 6.353 6.897 -6.434
190 H GLY 25 H GLY 25 1.276 1.327 -3.305
191 HA2 GLY 25 HA2 GLY 25 2.092 -1.291 -2.628
192 HA3 GLY 25 HA3 GLY 25 0.569 -0.521 -2.211
193 H LYS 26 H LYS 26 0.995 -3.235 -2.875
194 HA LYS 26 HA LYS 26 -0.335 -3.569 -5.481
195 HB2 LYS 26 HB2 LYS 26 1.079 -5.615 -3.752
196 HB3 LYS 26 HB3 LYS 26 0.406 -5.907 -5.351
197 HG2 LYS 26 HG2 LYS 26 2.661 -4.001 -4.750
198 HG3 LYS 26 HG3 LYS 26 2.852 -5.639 -5.376
199 HD2 LYS 26 HD2 LYS 26 1.264 -3.487 -6.767
200 HD3 LYS 26 HD3 LYS 26 2.961 -3.822 -7.104
201 HE2 LYS 26 HE2 LYS 26 2.403 -6.088 -7.780
202 HE3 LYS 26 HE3 LYS 26 0.710 -5.811 -7.371
203 HZ1 LYS 26 HZ1 LYS 26 1.169 -5.572 -9.732
204 HZ2 LYS 26 HZ2 LYS 26 2.178 -4.334 -9.437
205 HZ3 LYS 26 HZ3 LYS 26 0.596 -4.188 -9.094
206 H CYS 27 H CYS 27 -2.464 -3.914 -5.414
207 HA CYS 27 HA CYS 27 -4.040 -4.177 -3.154
208 HB2 CYS 27 HB2 CYS 27 -4.953 -3.490 -5.285
209 HB3 CYS 27 HB3 CYS 27 -4.593 -5.061 -5.993
210 H MET 28 H MET 28 -3.680 -5.730 -1.670
211 HA MET 28 HA MET 28 -4.266 -8.482 -2.331
212 HB2 MET 28 HB2 MET 28 -1.518 -7.611 -1.477
213 HB3 MET 28 HB3 MET 28 -2.113 -9.218 -1.098
214 HG2 MET 28 HG2 MET 28 -1.811 -8.047 -3.854
215 HG3 MET 28 HG3 MET 28 -0.728 -9.213 -3.095
216 HE1 MET 28 HE1 MET 28 -3.027 -12.374 -2.793
217 HE2 MET 28 HE2 MET 28 -2.835 -11.111 -1.578
218 HE3 MET 28 HE3 MET 28 -1.432 -11.694 -2.475
219 H ASN 29 H ASN 29 -5.399 -9.328 -0.724
220 HA ASN 29 HA ASN 29 -6.210 -9.824 1.335
221 HB2 ASN 29 HB2 ASN 29 -3.655 -8.538 2.315
222 HB3 ASN 29 HB3 ASN 29 -4.769 -9.449 3.323
223 HD21 ASN 29 HD21 ASN 29 -5.322 -11.517 1.400
224 HD22 ASN 29 HD22 ASN 29 -3.886 -12.465 1.261
225 H LYS 30 H LYS 30 -7.144 -7.530 0.115
226 HA LYS 30 HA LYS 30 -8.647 -5.904 0.581
227 HB2 LYS 30 HB2 LYS 30 -8.061 -6.599 3.458
228 HB3 LYS 30 HB3 LYS 30 -9.280 -5.433 2.957
229 HG2 LYS 30 HG2 LYS 30 -10.511 -7.142 1.796
230 HG3 LYS 30 HG3 LYS 30 -9.246 -8.326 2.123
231 HD2 LYS 30 HD2 LYS 30 -9.674 -8.121 4.523
232 HD3 LYS 30 HD3 LYS 30 -10.934 -6.928 4.197
233 HE2 LYS 30 HE2 LYS 30 -11.904 -9.129 4.596
234 HE3 LYS 30 HE3 LYS 30 -12.198 -8.604 2.941
235 HZ1 LYS 30 HZ1 LYS 30 -10.387 -10.010 2.244
236 HZ2 LYS 30 HZ2 LYS 30 -11.501 -10.891 3.029
237 HZ3 LYS 30 HZ3 LYS 30 -10.115 -10.495 3.774
238 H LYS 31 H LYS 31 -5.425 -5.767 1.512
239 HA LYS 31 HA LYS 31 -5.543 -2.830 1.378
240 HB2 LYS 31 HB2 LYS 31 -3.648 -4.519 3.024
241 HB3 LYS 31 HB3 LYS 31 -3.391 -2.819 2.693
242 HG2 LYS 31 HG2 LYS 31 -4.305 -2.832 4.814
243 HG3 LYS 31 HG3 LYS 31 -5.677 -2.449 3.772
244 HD2 LYS 31 HD2 LYS 31 -6.399 -4.075 5.374
245 HD3 LYS 31 HD3 LYS 31 -6.290 -4.865 3.798
246 HE2 LYS 31 HE2 LYS 31 -4.071 -5.748 4.424
247 HE3 LYS 31 HE3 LYS 31 -4.237 -5.005 6.012
248 HZ1 LYS 31 HZ1 LYS 31 -6.160 -6.404 6.367
249 HZ2 LYS 31 HZ2 LYS 31 -4.840 -7.305 6.075
250 HZ3 LYS 31 HZ3 LYS 31 -5.959 -7.107 4.911
251 H CYS 32 H CYS 32 -2.595 -2.754 1.292
252 HA CYS 32 HA CYS 32 -2.058 -4.176 -1.200
253 HB2 CYS 32 HB2 CYS 32 -1.699 -1.228 -0.730
254 HB3 CYS 32 HB3 CYS 32 -1.009 -2.092 -2.100
255 H LYS 33 H LYS 33 -0.095 -5.054 -1.283
256 HA LYS 33 HA LYS 33 1.661 -4.609 1.028
257 HB2 LYS 33 HB2 LYS 33 1.830 -6.848 -0.986
258 HB3 LYS 33 HB3 LYS 33 2.559 -6.778 0.612
259 HG2 LYS 33 HG2 LYS 33 0.338 -6.871 1.625
260 HG3 LYS 33 HG3 LYS 33 -0.379 -6.944 0.014
261 HD2 LYS 33 HD2 LYS 33 -0.228 -9.168 1.039
262 HD3 LYS 33 HD3 LYS 33 0.756 -9.053 -0.418
263 HE2 LYS 33 HE2 LYS 33 1.935 -10.241 1.361
264 HE3 LYS 33 HE3 LYS 33 2.756 -8.743 0.938
265 HZ1 LYS 33 HZ1 LYS 33 2.619 -9.072 3.314
266 HZ2 LYS 33 HZ2 LYS 33 0.995 -9.094 3.257
267 HZ3 LYS 33 HZ3 LYS 33 1.797 -7.736 2.877
268 H CYS 34 H CYS 34 3.944 -4.515 0.740
269 HA CYS 34 HA CYS 34 4.924 -4.140 -1.984
270 HB2 CYS 34 HB2 CYS 34 5.277 -2.182 0.278
271 HB3 CYS 34 HB3 CYS 34 6.368 -2.217 -1.107
Start of MODEL 8
1 H1 GLN 1 H1 GLN 1 -17.415 7.657 0.412
2 H2 GLN 1 H2 GLN 1 -16.723 7.669 1.882
3 H3 GLN 1 H3 GLN 1 -17.658 6.418 1.437
4 HA GLN 1 HA GLN 1 -16.131 5.770 -0.255
5 HB2 GLN 1 HB2 GLN 1 -14.587 8.134 0.814
6 HB3 GLN 1 HB3 GLN 1 -13.853 6.881 -0.170
7 HG2 GLN 1 HG2 GLN 1 -15.676 7.449 -1.884
8 HG3 GLN 1 HG3 GLN 1 -15.889 8.924 -0.941
9 HE21 GLN 1 HE21 GLN 1 -14.190 10.421 -0.842
10 HE22 GLN 1 HE22 GLN 1 -12.893 10.403 -1.985
11 H MET 2 H MET 2 -13.703 5.049 0.338
12 HA MET 2 HA MET 2 -12.331 3.820 1.600
13 HB2 MET 2 HB2 MET 2 -13.656 5.224 3.904
14 HB3 MET 2 HB3 MET 2 -12.327 4.090 4.085
15 HG2 MET 2 HG2 MET 2 -11.296 6.167 4.130
16 HG3 MET 2 HG3 MET 2 -11.037 5.607 2.480
17 HE1 MET 2 HE1 MET 2 -14.247 7.207 4.203
18 HE2 MET 2 HE2 MET 2 -14.009 8.896 3.758
19 HE3 MET 2 HE3 MET 2 -12.863 8.098 4.835
20 H ASP 3 H ASP 3 -12.858 1.840 1.113
21 HA ASP 3 HA ASP 3 -14.961 0.477 2.648
22 HB2 ASP 3 HB2 ASP 3 -15.196 0.560 0.142
23 HB3 ASP 3 HB3 ASP 3 -13.690 -0.336 0.017
24 H MET 4 H MET 4 -11.824 1.067 2.629
25 HA MET 4 HA MET 4 -9.849 0.144 3.159
26 HB2 MET 4 HB2 MET 4 -9.804 -1.069 5.265
27 HB3 MET 4 HB3 MET 4 -10.899 0.299 5.343
28 HG2 MET 4 HG2 MET 4 -12.785 -1.181 5.060
29 HG3 MET 4 HG3 MET 4 -11.706 -2.567 4.948
30 HE1 MET 4 HE1 MET 4 -13.132 0.256 7.248
31 HE2 MET 4 HE2 MET 4 -11.400 0.549 7.388
32 HE3 MET 4 HE3 MET 4 -12.307 -0.049 8.776
33 H ARG 5 H ARG 5 -11.280 -1.306 1.039
34 HA ARG 5 HA ARG 5 -9.825 -3.841 1.230
35 HB2 ARG 5 HB2 ARG 5 -12.701 -3.478 0.408
36 HB3 ARG 5 HB3 ARG 5 -11.777 -4.946 0.129
37 HG2 ARG 5 HG2 ARG 5 -11.587 -5.397 2.407
38 HG3 ARG 5 HG3 ARG 5 -12.054 -3.752 2.847
39 HD2 ARG 5 HD2 ARG 5 -13.862 -5.351 3.271
40 HD3 ARG 5 HD3 ARG 5 -14.311 -4.160 2.054
41 HE ARG 5 HE ARG 5 -13.394 -6.858 1.305
42 HH11 ARG 5 HH11 ARG 5 -15.632 -4.189 0.992
43 HH12 ARG 5 HH12 ARG 5 -16.698 -5.043 -0.078
44 HH21 ARG 5 HH21 ARG 5 -14.782 -7.975 -0.133
45 HH22 ARG 5 HH22 ARG 5 -16.211 -7.191 -0.726
46 H CYS 6 H CYS 6 -8.475 -2.236 -0.076
47 HA CYS 6 HA CYS 6 -7.628 -1.446 -2.006
48 HB2 CYS 6 HB2 CYS 6 -7.356 -3.908 -2.291
49 HB3 CYS 6 HB3 CYS 6 -8.880 -3.938 -3.173
50 H SER 7 H SER 7 -9.933 -0.229 -1.369
51 HA SER 7 HA SER 7 -10.964 0.682 -3.865
52 HB2 SER 7 HB2 SER 7 -12.221 -1.474 -3.563
53 HB3 SER 7 HB3 SER 7 -12.897 -0.820 -2.074
54 HG SER 7 HG SER 7 -13.149 0.538 -4.541
55 H ALA 8 H ALA 8 -9.947 1.279 -0.895
56 HA ALA 8 HA ALA 8 -12.051 3.069 -0.042
57 HB1 ALA 8 HB1 ALA 8 -10.446 3.695 1.757
58 HB2 ALA 8 HB2 ALA 8 -9.275 2.594 1.031
59 HB3 ALA 8 HB3 ALA 8 -10.789 1.968 1.680
60 H SER 9 H SER 9 -8.602 3.739 -0.487
61 HA SER 9 HA SER 9 -8.896 5.860 -2.300
62 HB2 SER 9 HB2 SER 9 -9.012 6.632 0.619
63 HB3 SER 9 HB3 SER 9 -8.398 7.744 -0.604
64 HG SER 9 HG SER 9 -10.861 6.519 -1.088
65 H VAL 10 H VAL 10 -7.071 4.519 0.433
66 HA VAL 10 HA VAL 10 -4.598 5.570 -0.779
67 HB VAL 10 HB VAL 10 -3.811 6.224 1.481
68 HG11 VAL 10 HG11 VAL 10 -6.356 7.555 0.576
69 HG12 VAL 10 HG12 VAL 10 -4.732 7.901 -0.019
70 HG13 VAL 10 HG13 VAL 10 -5.155 8.265 1.655
71 HG21 VAL 10 HG21 VAL 10 -5.225 4.783 2.823
72 HG22 VAL 10 HG22 VAL 10 -6.667 5.629 2.261
73 HG23 VAL 10 HG23 VAL 10 -5.492 6.467 3.279
74 H GLU 11 H GLU 11 -5.895 2.748 -0.227
75 HA GLU 11 HA GLU 11 -4.271 1.620 1.831
76 HB2 GLU 11 HB2 GLU 11 -5.704 0.064 -0.315
77 HB3 GLU 11 HB3 GLU 11 -5.284 -0.469 1.303
78 HG2 GLU 11 HG2 GLU 11 -7.382 0.035 1.811
79 HG3 GLU 11 HG3 GLU 11 -6.813 1.712 1.823
80 H CYS 12 H CYS 12 -3.942 1.844 -1.652
81 HA CYS 12 HA CYS 12 -1.642 0.093 -1.652
82 HB2 CYS 12 HB2 CYS 12 -2.678 1.828 -3.893
83 HB3 CYS 12 HB3 CYS 12 -1.493 0.524 -4.026
84 H LYS 13 H LYS 13 -1.994 2.931 -0.361
85 HA LYS 13 HA LYS 13 0.712 3.747 -1.155
86 HB2 LYS 13 HB2 LYS 13 -1.450 5.574 -0.083
87 HB3 LYS 13 HB3 LYS 13 0.137 6.058 -0.664
88 HG2 LYS 13 HG2 LYS 13 -2.151 4.976 -2.298
89 HG3 LYS 13 HG3 LYS 13 -1.496 6.613 -2.322
90 HD2 LYS 13 HD2 LYS 13 0.628 5.731 -3.173
91 HD3 LYS 13 HD3 LYS 13 -0.062 4.110 -3.188
92 HE2 LYS 13 HE2 LYS 13 -1.790 4.915 -4.773
93 HE3 LYS 13 HE3 LYS 13 -0.978 6.481 -4.809
94 HZ1 LYS 13 HZ1 LYS 13 0.973 5.354 -5.649
95 HZ2 LYS 13 HZ2 LYS 13 -0.293 5.138 -6.644
96 HZ3 LYS 13 HZ3 LYS 13 0.183 3.930 -5.666
97 H GLN 14 H GLN 14 -1.653 3.902 1.501
98 HA GLN 14 HA GLN 14 0.300 4.610 3.441
99 HB2 GLN 14 HB2 GLN 14 -2.541 3.639 3.700
100 HB3 GLN 14 HB3 GLN 14 -1.554 4.135 5.069
101 HG2 GLN 14 HG2 GLN 14 -2.297 5.870 2.726
102 HG3 GLN 14 HG3 GLN 14 -3.041 5.916 4.321
103 HE21 GLN 14 HE21 GLN 14 -0.251 6.715 2.438
104 HE22 GLN 14 HE22 GLN 14 0.518 7.714 3.621
105 H LYS 15 H LYS 15 -1.249 1.517 2.591
106 HA LYS 15 HA LYS 15 -0.041 0.081 4.709
107 HB2 LYS 15 HB2 LYS 15 -1.507 -0.644 2.255
108 HB3 LYS 15 HB3 LYS 15 -0.397 -1.858 2.871
109 HG2 LYS 15 HG2 LYS 15 -2.708 -0.602 4.333
110 HG3 LYS 15 HG3 LYS 15 -2.586 -2.262 3.757
111 HD2 LYS 15 HD2 LYS 15 -0.961 -0.979 5.955
112 HD3 LYS 15 HD3 LYS 15 -2.199 -2.217 6.134
113 HE2 LYS 15 HE2 LYS 15 0.419 -2.565 4.673
114 HE3 LYS 15 HE3 LYS 15 0.080 -3.130 6.306
115 HZ1 LYS 15 HZ1 LYS 15 -1.240 -4.048 3.853
116 HZ2 LYS 15 HZ2 LYS 15 -1.661 -4.515 5.348
117 HZ3 LYS 15 HZ3 LYS 15 -0.196 -4.897 4.766
118 H CYS 16 H CYS 16 1.038 1.016 1.535
119 HA CYS 16 HA CYS 16 3.341 -0.687 1.538
120 HB2 CYS 16 HB2 CYS 16 2.165 0.324 -0.505
121 HB3 CYS 16 HB3 CYS 16 2.984 1.822 -0.087
122 H LEU 17 H LEU 17 2.547 2.538 2.574
123 HA LEU 17 HA LEU 17 5.134 3.565 2.957
124 HB2 LEU 17 HB2 LEU 17 2.654 4.588 3.109
125 HB3 LEU 17 HB3 LEU 17 2.939 4.332 4.816
126 HG LEU 17 HG LEU 17 3.437 6.629 4.127
127 HD11 LEU 17 HD11 LEU 17 5.894 5.087 4.932
128 HD12 LEU 17 HD12 LEU 17 4.653 5.710 6.018
129 HD13 LEU 17 HD13 LEU 17 5.665 6.827 5.101
130 HD21 LEU 17 HD21 LEU 17 5.286 7.133 2.663
131 HD22 LEU 17 HD22 LEU 17 4.105 6.125 1.826
132 HD23 LEU 17 HD23 LEU 17 5.603 5.415 2.428
133 H LYS 18 H LYS 18 2.970 1.689 4.967
134 HA LYS 18 HA LYS 18 4.700 1.704 7.256
135 HB2 LYS 18 HB2 LYS 18 2.296 -0.020 6.622
136 HB3 LYS 18 HB3 LYS 18 3.073 0.119 8.194
137 HG2 LYS 18 HG2 LYS 18 2.457 2.451 8.334
138 HG3 LYS 18 HG3 LYS 18 1.763 2.391 6.714
139 HD2 LYS 18 HD2 LYS 18 0.100 0.778 7.476
140 HD3 LYS 18 HD3 LYS 18 0.809 0.799 9.092
141 HE2 LYS 18 HE2 LYS 18 -1.155 2.212 9.027
142 HE3 LYS 18 HE3 LYS 18 0.286 3.191 9.274
143 HZ1 LYS 18 HZ1 LYS 18 -1.139 2.854 6.732
144 HZ2 LYS 18 HZ2 LYS 18 0.221 3.724 6.925
145 HZ3 LYS 18 HZ3 LYS 18 -1.149 4.191 7.662
146 H ALA 19 H ALA 19 4.286 -0.243 4.420
147 HA ALA 19 HA ALA 19 5.543 -2.592 5.420
148 HB1 ALA 19 HB1 ALA 19 4.002 -2.628 3.521
149 HB2 ALA 19 HB2 ALA 19 5.567 -3.328 3.110
150 HB3 ALA 19 HB3 ALA 19 5.162 -1.700 2.569
151 H ILE 20 H ILE 20 6.706 -0.209 3.003
152 HA ILE 20 HA ILE 20 9.436 -0.605 4.017
153 HB ILE 20 HB ILE 20 10.278 -0.717 1.650
154 HG12 ILE 20 HG12 ILE 20 7.390 -1.374 1.041
155 HG13 ILE 20 HG13 ILE 20 8.194 0.129 0.604
156 HG21 ILE 20 HG21 ILE 20 9.830 -3.119 1.387
157 HG22 ILE 20 HG22 ILE 20 8.561 -3.002 2.607
158 HG23 ILE 20 HG23 ILE 20 10.240 -2.693 3.048
159 HD11 ILE 20 HD11 ILE 20 9.733 -1.128 -0.824
160 HD12 ILE 20 HD12 ILE 20 8.046 -1.351 -1.294
161 HD13 ILE 20 HD13 ILE 20 8.891 -2.619 -0.401
162 H GLY 21 H GLY 21 7.323 1.609 3.871
163 HA2 GLY 21 HA2 GLY 21 7.344 3.896 3.620
164 HA3 GLY 21 HA3 GLY 21 9.087 3.776 3.415
165 H SER 22 H SER 22 6.362 2.552 1.526
166 HA SER 22 HA SER 22 7.307 4.093 -0.798
167 HB2 SER 22 HB2 SER 22 6.416 1.197 -0.747
168 HB3 SER 22 HB3 SER 22 6.820 2.096 -2.206
169 HG SER 22 HG SER 22 8.842 2.391 -0.525
170 H ILE 23 H ILE 23 5.591 4.454 -2.401
171 HA ILE 23 HA ILE 23 2.905 4.227 -1.212
172 HB ILE 23 HB ILE 23 2.275 6.271 -2.418
173 HG12 ILE 23 HG12 ILE 23 5.225 6.529 -3.035
174 HG13 ILE 23 HG13 ILE 23 4.000 6.081 -4.217
175 HG21 ILE 23 HG21 ILE 23 2.977 6.391 -0.112
176 HG22 ILE 23 HG22 ILE 23 3.526 7.824 -0.984
177 HG23 ILE 23 HG23 ILE 23 4.662 6.525 -0.611
178 HD11 ILE 23 HD11 ILE 23 4.577 8.416 -4.410
179 HD12 ILE 23 HD12 ILE 23 4.150 8.680 -2.719
180 HD13 ILE 23 HD13 ILE 23 2.906 8.232 -3.882
181 H PHE 24 H PHE 24 3.941 2.167 -2.686
182 HA PHE 24 HA PHE 24 2.358 2.302 -5.133
183 HB2 PHE 24 HB2 PHE 24 5.214 1.297 -5.067
184 HB3 PHE 24 HB3 PHE 24 4.172 1.432 -6.485
185 HD1 PHE 24 HD1 PHE 24 3.373 3.746 -7.156
186 HD2 PHE 24 HD2 PHE 24 6.522 3.111 -4.371
187 HE1 PHE 24 HE1 PHE 24 4.112 6.061 -7.475
188 HE2 PHE 24 HE2 PHE 24 7.290 5.412 -4.698
189 HZ PHE 24 HZ PHE 24 6.089 6.900 -6.260
190 H GLY 25 H GLY 25 1.386 1.158 -3.056
191 HA2 GLY 25 HA2 GLY 25 2.156 -1.561 -2.611
192 HA3 GLY 25 HA3 GLY 25 0.702 -0.760 -2.024
193 H LYS 26 H LYS 26 0.879 -3.426 -3.025
194 HA LYS 26 HA LYS 26 -0.832 -3.222 -5.421
195 HB2 LYS 26 HB2 LYS 26 1.038 -5.493 -4.709
196 HB3 LYS 26 HB3 LYS 26 0.024 -5.396 -6.140
197 HG2 LYS 26 HG2 LYS 26 2.364 -3.621 -5.482
198 HG3 LYS 26 HG3 LYS 26 2.311 -4.888 -6.706
199 HD2 LYS 26 HD2 LYS 26 0.519 -3.635 -7.867
200 HD3 LYS 26 HD3 LYS 26 0.691 -2.343 -6.678
201 HE2 LYS 26 HE2 LYS 26 2.779 -3.301 -8.631
202 HE3 LYS 26 HE3 LYS 26 1.914 -1.767 -8.677
203 HZ1 LYS 26 HZ1 LYS 26 4.050 -1.423 -7.748
204 HZ2 LYS 26 HZ2 LYS 26 3.870 -2.613 -6.663
205 HZ3 LYS 26 HZ3 LYS 26 2.979 -1.261 -6.532
206 H CYS 27 H CYS 27 -2.754 -4.178 -5.299
207 HA CYS 27 HA CYS 27 -4.096 -4.599 -2.979
208 HB2 CYS 27 HB2 CYS 27 -4.637 -5.991 -5.607
209 HB3 CYS 27 HB3 CYS 27 -5.799 -5.756 -4.306
210 H MET 28 H MET 28 -3.612 -5.915 -1.371
211 HA MET 28 HA MET 28 -3.630 -8.776 -1.738
212 HB2 MET 28 HB2 MET 28 -1.137 -7.294 -0.950
213 HB3 MET 28 HB3 MET 28 -1.448 -8.890 -0.290
214 HG2 MET 28 HG2 MET 28 -1.586 -8.528 -3.234
215 HG3 MET 28 HG3 MET 28 -0.006 -8.535 -2.459
216 HE1 MET 28 HE1 MET 28 -3.308 -10.687 -1.573
217 HE2 MET 28 HE2 MET 28 -2.957 -12.093 -2.576
218 HE3 MET 28 HE3 MET 28 -3.221 -10.517 -3.326
219 H ASN 29 H ASN 29 -4.584 -9.688 -0.011
220 HA ASN 29 HA ASN 29 -5.534 -9.962 2.036
221 HB2 ASN 29 HB2 ASN 29 -3.165 -8.292 2.881
222 HB3 ASN 29 HB3 ASN 29 -4.235 -9.126 4.002
223 HD21 ASN 29 HD21 ASN 29 -1.366 -9.435 3.484
224 HD22 ASN 29 HD22 ASN 29 -1.140 -11.104 3.089
225 H LYS 30 H LYS 30 -6.916 -8.229 0.662
226 HA LYS 30 HA LYS 30 -8.596 -6.731 0.888
227 HB2 LYS 30 HB2 LYS 30 -7.630 -6.660 3.727
228 HB3 LYS 30 HB3 LYS 30 -8.894 -5.577 3.164
229 HG2 LYS 30 HG2 LYS 30 -10.332 -7.396 2.639
230 HG3 LYS 30 HG3 LYS 30 -9.038 -8.567 2.899
231 HD2 LYS 30 HD2 LYS 30 -10.045 -6.745 5.069
232 HD3 LYS 30 HD3 LYS 30 -10.745 -8.334 4.760
233 HE2 LYS 30 HE2 LYS 30 -7.856 -7.782 5.434
234 HE3 LYS 30 HE3 LYS 30 -9.069 -8.408 6.548
235 HZ1 LYS 30 HZ1 LYS 30 -8.138 -9.758 4.114
236 HZ2 LYS 30 HZ2 LYS 30 -9.271 -10.333 5.123
237 HZ3 LYS 30 HZ3 LYS 30 -7.740 -10.168 5.637
238 H LYS 31 H LYS 31 -5.439 -5.703 2.072
239 HA LYS 31 HA LYS 31 -6.022 -3.017 1.028
240 HB2 LYS 31 HB2 LYS 31 -3.952 -3.982 2.998
241 HB3 LYS 31 HB3 LYS 31 -3.823 -2.417 2.214
242 HG2 LYS 31 HG2 LYS 31 -4.758 -2.228 4.444
243 HG3 LYS 31 HG3 LYS 31 -5.919 -1.717 3.217
244 HD2 LYS 31 HD2 LYS 31 -7.206 -3.658 3.455
245 HD3 LYS 31 HD3 LYS 31 -5.920 -4.513 4.314
246 HE2 LYS 31 HE2 LYS 31 -7.669 -3.863 5.852
247 HE3 LYS 31 HE3 LYS 31 -6.192 -2.970 6.205
248 HZ1 LYS 31 HZ1 LYS 31 -7.113 -1.097 5.069
249 HZ2 LYS 31 HZ2 LYS 31 -8.144 -1.572 6.233
250 HZ3 LYS 31 HZ3 LYS 31 -8.457 -1.927 4.676
251 H CYS 32 H CYS 32 -2.795 -3.238 1.285
252 HA CYS 32 HA CYS 32 -2.267 -4.416 -1.301
253 HB2 CYS 32 HB2 CYS 32 -1.948 -1.486 -0.706
254 HB3 CYS 32 HB3 CYS 32 -1.175 -2.280 -2.073
255 H LYS 33 H LYS 33 -0.000 -4.659 -1.695
256 HA LYS 33 HA LYS 33 1.748 -4.084 0.589
257 HB2 LYS 33 HB2 LYS 33 2.268 -6.266 0.997
258 HB3 LYS 33 HB3 LYS 33 0.642 -6.496 0.367
259 HG2 LYS 33 HG2 LYS 33 1.470 -7.127 -1.776
260 HG3 LYS 33 HG3 LYS 33 3.120 -6.697 -1.323
261 HD2 LYS 33 HD2 LYS 33 1.496 -8.850 0.023
262 HD3 LYS 33 HD3 LYS 33 2.652 -9.145 -1.276
263 HE2 LYS 33 HE2 LYS 33 3.344 -7.829 1.348
264 HE3 LYS 33 HE3 LYS 33 3.552 -9.545 1.016
265 HZ1 LYS 33 HZ1 LYS 33 5.586 -8.405 0.654
266 HZ2 LYS 33 HZ2 LYS 33 4.906 -7.343 -0.375
267 HZ3 LYS 33 HZ3 LYS 33 5.032 -8.910 -0.791
268 H CYS 34 H CYS 34 3.946 -3.903 0.051
269 HA CYS 34 HA CYS 34 4.573 -4.144 -2.805
270 HB2 CYS 34 HB2 CYS 34 6.367 -2.339 -2.154
271 HB3 CYS 34 HB3 CYS 34 4.698 -1.873 -2.420
Start of MODEL 9
1 H1 GLN 1 H1 GLN 1 -15.521 7.994 2.698
2 H2 GLN 1 H2 GLN 1 -14.848 8.305 4.144
3 H3 GLN 1 H3 GLN 1 -15.946 7.114 3.998
4 HA GLN 1 HA GLN 1 -13.319 7.144 2.735
5 HB2 GLN 1 HB2 GLN 1 -14.342 5.985 5.275
6 HB3 GLN 1 HB3 GLN 1 -13.213 5.015 4.340
7 HG2 GLN 1 HG2 GLN 1 -12.709 7.829 5.277
8 HG3 GLN 1 HG3 GLN 1 -12.101 6.366 6.054
9 HE21 GLN 1 HE21 GLN 1 -10.647 8.602 4.832
10 HE22 GLN 1 HE22 GLN 1 -9.643 7.895 3.612
11 H MET 2 H MET 2 -12.838 5.432 1.420
12 HA MET 2 HA MET 2 -15.106 3.853 0.469
13 HB2 MET 2 HB2 MET 2 -12.271 4.040 -0.568
14 HB3 MET 2 HB3 MET 2 -13.597 3.197 -1.353
15 HG2 MET 2 HG2 MET 2 -13.456 6.159 -0.849
16 HG3 MET 2 HG3 MET 2 -13.113 5.364 -2.383
17 HE1 MET 2 HE1 MET 2 -14.880 7.074 -3.499
18 HE2 MET 2 HE2 MET 2 -15.219 7.770 -1.914
19 HE3 MET 2 HE3 MET 2 -16.547 7.239 -2.945
20 H ASP 3 H ASP 3 -14.784 1.498 0.139
21 HA ASP 3 HA ASP 3 -14.138 0.369 2.658
22 HB2 ASP 3 HB2 ASP 3 -15.922 -0.525 1.194
23 HB3 ASP 3 HB3 ASP 3 -14.696 -1.045 0.043
24 H MET 4 H MET 4 -12.505 -0.970 3.277
25 HA MET 4 HA MET 4 -9.985 -0.624 1.981
26 HB2 MET 4 HB2 MET 4 -9.118 -2.032 3.847
27 HB3 MET 4 HB3 MET 4 -10.005 -0.614 4.377
28 HG2 MET 4 HG2 MET 4 -11.247 -3.334 4.181
29 HG3 MET 4 HG3 MET 4 -10.440 -2.754 5.636
30 HE1 MET 4 HE1 MET 4 -12.686 -3.236 7.011
31 HE2 MET 4 HE2 MET 4 -13.467 -3.797 5.533
32 HE3 MET 4 HE3 MET 4 -14.265 -2.598 6.551
33 H ARG 5 H ARG 5 -11.525 -1.753 0.197
34 HA ARG 5 HA ARG 5 -10.547 -4.524 -0.030
35 HB2 ARG 5 HB2 ARG 5 -12.231 -4.685 -1.881
36 HB3 ARG 5 HB3 ARG 5 -12.933 -4.428 -0.294
37 HG2 ARG 5 HG2 ARG 5 -13.157 -2.028 -0.848
38 HG3 ARG 5 HG3 ARG 5 -12.548 -2.384 -2.465
39 HD2 ARG 5 HD2 ARG 5 -15.034 -3.551 -1.222
40 HD3 ARG 5 HD3 ARG 5 -14.994 -2.264 -2.425
41 HE ARG 5 HE ARG 5 -13.654 -4.242 -3.657
42 HH11 ARG 5 HH11 ARG 5 -16.741 -4.152 -2.022
43 HH12 ARG 5 HH12 ARG 5 -17.434 -5.419 -2.981
44 HH21 ARG 5 HH21 ARG 5 -14.560 -5.915 -4.925
45 HH22 ARG 5 HH22 ARG 5 -16.193 -6.422 -4.634
46 H CYS 6 H CYS 6 -8.677 -2.622 -0.325
47 HA CYS 6 HA CYS 6 -7.178 -1.562 -1.648
48 HB2 CYS 6 HB2 CYS 6 -6.900 -3.890 -2.482
49 HB3 CYS 6 HB3 CYS 6 -8.078 -3.549 -3.746
50 H SER 7 H SER 7 -10.019 -0.750 -1.631
51 HA SER 7 HA SER 7 -9.952 0.921 -4.049
52 HB2 SER 7 HB2 SER 7 -11.725 -0.864 -4.138
53 HB3 SER 7 HB3 SER 7 -12.447 -0.153 -2.697
54 HG SER 7 HG SER 7 -12.094 1.115 -5.219
55 H ALA 8 H ALA 8 -9.246 1.020 -1.024
56 HA ALA 8 HA ALA 8 -11.017 2.929 0.138
57 HB1 ALA 8 HB1 ALA 8 -9.787 1.377 1.522
58 HB2 ALA 8 HB2 ALA 8 -9.360 3.035 1.940
59 HB3 ALA 8 HB3 ALA 8 -8.261 2.059 0.967
60 H SER 9 H SER 9 -8.566 3.166 -2.126
61 HA SER 9 HA SER 9 -7.862 4.925 -3.355
62 HB2 SER 9 HB2 SER 9 -10.108 5.934 -2.796
63 HB3 SER 9 HB3 SER 9 -9.324 6.761 -1.449
64 HG SER 9 HG SER 9 -9.346 8.126 -3.226
65 H VAL 10 H VAL 10 -7.165 4.541 -0.069
66 HA VAL 10 HA VAL 10 -4.704 6.104 -0.460
67 HB VAL 10 HB VAL 10 -4.725 6.711 1.948
68 HG11 VAL 10 HG11 VAL 10 -6.399 8.497 1.747
69 HG12 VAL 10 HG12 VAL 10 -7.073 7.690 0.332
70 HG13 VAL 10 HG13 VAL 10 -5.429 8.327 0.285
71 HG21 VAL 10 HG21 VAL 10 -6.204 4.980 2.788
72 HG22 VAL 10 HG22 VAL 10 -7.546 5.644 1.857
73 HG23 VAL 10 HG23 VAL 10 -6.849 6.573 3.184
74 H GLU 11 H GLU 11 -6.035 3.096 0.352
75 HA GLU 11 HA GLU 11 -4.225 2.409 2.436
76 HB2 GLU 11 HB2 GLU 11 -6.206 0.819 0.840
77 HB3 GLU 11 HB3 GLU 11 -5.113 0.046 1.981
78 HG2 GLU 11 HG2 GLU 11 -7.132 2.186 2.608
79 HG3 GLU 11 HG3 GLU 11 -7.244 0.476 3.027
80 H CYS 12 H CYS 12 -4.108 2.054 -1.052
81 HA CYS 12 HA CYS 12 -2.014 0.110 -0.937
82 HB2 CYS 12 HB2 CYS 12 -2.845 1.894 -3.231
83 HB3 CYS 12 HB3 CYS 12 -1.693 0.560 -3.341
84 H LYS 13 H LYS 13 -2.204 3.540 -0.768
85 HA LYS 13 HA LYS 13 0.629 3.915 -1.158
86 HB2 LYS 13 HB2 LYS 13 -1.382 5.846 0.024
87 HB3 LYS 13 HB3 LYS 13 0.210 6.237 -0.610
88 HG2 LYS 13 HG2 LYS 13 -1.839 5.010 -2.400
89 HG3 LYS 13 HG3 LYS 13 -1.904 6.732 -2.027
90 HD2 LYS 13 HD2 LYS 13 0.402 6.976 -2.835
91 HD3 LYS 13 HD3 LYS 13 0.436 5.259 -3.235
92 HE2 LYS 13 HE2 LYS 13 -1.455 7.293 -4.411
93 HE3 LYS 13 HE3 LYS 13 -0.000 6.684 -5.193
94 HZ1 LYS 13 HZ1 LYS 13 -2.336 5.075 -4.450
95 HZ2 LYS 13 HZ2 LYS 13 -0.986 4.495 -5.143
96 HZ3 LYS 13 HZ3 LYS 13 -1.934 5.529 -5.959
97 H GLN 14 H GLN 14 -1.673 3.911 1.539
98 HA GLN 14 HA GLN 14 0.262 4.628 3.505
99 HB2 GLN 14 HB2 GLN 14 -2.553 3.573 3.695
100 HB3 GLN 14 HB3 GLN 14 -1.582 3.940 5.115
101 HG2 GLN 14 HG2 GLN 14 -2.291 5.900 2.945
102 HG3 GLN 14 HG3 GLN 14 -3.110 5.761 4.499
103 HE21 GLN 14 HE21 GLN 14 -0.659 5.225 5.966
104 HE22 GLN 14 HE22 GLN 14 0.191 6.727 6.060
105 H LYS 15 H LYS 15 -1.294 1.528 2.655
106 HA LYS 15 HA LYS 15 -0.129 -0.021 4.668
107 HB2 LYS 15 HB2 LYS 15 -1.833 -0.527 2.609
108 HB3 LYS 15 HB3 LYS 15 -0.371 -1.303 2.025
109 HG2 LYS 15 HG2 LYS 15 -1.784 -1.878 4.620
110 HG3 LYS 15 HG3 LYS 15 -1.731 -2.907 3.192
111 HD2 LYS 15 HD2 LYS 15 0.696 -3.134 3.449
112 HD3 LYS 15 HD3 LYS 15 0.637 -2.107 4.883
113 HE2 LYS 15 HE2 LYS 15 0.741 -4.406 5.569
114 HE3 LYS 15 HE3 LYS 15 -0.854 -3.767 5.953
115 HZ1 LYS 15 HZ1 LYS 15 -1.750 -4.910 4.119
116 HZ2 LYS 15 HZ2 LYS 15 -0.842 -5.990 4.921
117 HZ3 LYS 15 HZ3 LYS 15 -0.289 -5.334 3.544
118 H CYS 16 H CYS 16 0.980 0.808 1.433
119 HA CYS 16 HA CYS 16 3.345 -0.740 1.489
120 HB2 CYS 16 HB2 CYS 16 2.107 0.385 -0.520
121 HB3 CYS 16 HB3 CYS 16 3.110 1.780 -0.123
122 H LEU 17 H LEU 17 2.571 2.493 2.574
123 HA LEU 17 HA LEU 17 5.269 3.356 2.870
124 HB2 LEU 17 HB2 LEU 17 2.672 4.479 3.079
125 HB3 LEU 17 HB3 LEU 17 3.512 4.806 4.581
126 HG LEU 17 HG LEU 17 4.633 5.468 1.859
127 HD11 LEU 17 HD11 LEU 17 3.217 7.262 3.820
128 HD12 LEU 17 HD12 LEU 17 2.592 6.732 2.256
129 HD13 LEU 17 HD13 LEU 17 4.015 7.771 2.331
130 HD21 LEU 17 HD21 LEU 17 6.322 5.206 3.581
131 HD22 LEU 17 HD22 LEU 17 5.440 6.303 4.641
132 HD23 LEU 17 HD23 LEU 17 6.151 6.905 3.144
133 H LYS 18 H LYS 18 3.000 1.664 4.862
134 HA LYS 18 HA LYS 18 4.742 1.805 7.181
135 HB2 LYS 18 HB2 LYS 18 2.119 0.408 6.664
136 HB3 LYS 18 HB3 LYS 18 3.019 0.224 8.163
137 HG2 LYS 18 HG2 LYS 18 2.824 2.588 8.616
138 HG3 LYS 18 HG3 LYS 18 2.027 2.846 7.064
139 HD2 LYS 18 HD2 LYS 18 0.951 1.101 9.275
140 HD3 LYS 18 HD3 LYS 18 0.459 2.772 8.988
141 HE2 LYS 18 HE2 LYS 18 -0.270 2.120 6.716
142 HE3 LYS 18 HE3 LYS 18 0.142 0.448 7.090
143 HZ1 LYS 18 HZ1 LYS 18 -1.496 0.497 8.830
144 HZ2 LYS 18 HZ2 LYS 18 -2.188 0.888 7.411
145 HZ3 LYS 18 HZ3 LYS 18 -1.867 2.048 8.502
146 H ALA 19 H ALA 19 4.050 -0.305 4.517
147 HA ALA 19 HA ALA 19 5.246 -2.663 5.519
148 HB1 ALA 19 HB1 ALA 19 5.305 -3.405 3.199
149 HB2 ALA 19 HB2 ALA 19 4.941 -1.766 2.657
150 HB3 ALA 19 HB3 ALA 19 3.751 -2.672 3.590
151 H ILE 20 H ILE 20 6.588 -0.738 2.834
152 HA ILE 20 HA ILE 20 9.256 -1.171 4.022
153 HB ILE 20 HB ILE 20 10.212 -1.138 1.789
154 HG12 ILE 20 HG12 ILE 20 7.363 -0.891 0.793
155 HG13 ILE 20 HG13 ILE 20 8.562 0.396 0.766
156 HG21 ILE 20 HG21 ILE 20 9.284 -3.244 0.930
157 HG22 ILE 20 HG22 ILE 20 7.902 -3.063 2.011
158 HG23 ILE 20 HG23 ILE 20 9.519 -3.288 2.677
159 HD11 ILE 20 HD11 ILE 20 8.295 -0.650 -1.415
160 HD12 ILE 20 HD12 ILE 20 8.753 -2.208 -0.728
161 HD13 ILE 20 HD13 ILE 20 9.924 -0.890 -0.782
162 H GLY 21 H GLY 21 6.963 1.136 3.218
163 HA2 GLY 21 HA2 GLY 21 7.227 3.440 3.725
164 HA3 GLY 21 HA3 GLY 21 8.958 3.269 3.469
165 H SER 22 H SER 22 6.203 2.352 1.441
166 HA SER 22 HA SER 22 7.188 4.170 -0.656
167 HB2 SER 22 HB2 SER 22 7.814 1.640 -0.882
168 HB3 SER 22 HB3 SER 22 6.122 1.424 -1.298
169 HG SER 22 HG SER 22 8.086 2.948 -2.649
170 H ILE 23 H ILE 23 5.439 4.374 -2.424
171 HA ILE 23 HA ILE 23 2.781 4.286 -1.157
172 HB ILE 23 HB ILE 23 2.169 6.281 -2.449
173 HG12 ILE 23 HG12 ILE 23 5.108 6.480 -3.123
174 HG13 ILE 23 HG13 ILE 23 3.873 5.937 -4.256
175 HG21 ILE 23 HG21 ILE 23 4.589 6.614 -0.694
176 HG22 ILE 23 HG22 ILE 23 2.912 6.511 -0.157
177 HG23 ILE 23 HG23 ILE 23 3.448 7.893 -1.116
178 HD11 ILE 23 HD11 ILE 23 2.762 8.100 -4.064
179 HD12 ILE 23 HD12 ILE 23 4.425 8.253 -4.631
180 HD13 ILE 23 HD13 ILE 23 4.024 8.642 -2.957
181 H PHE 24 H PHE 24 4.053 2.284 -2.802
182 HA PHE 24 HA PHE 24 2.281 2.357 -5.146
183 HB2 PHE 24 HB2 PHE 24 5.071 1.195 -5.097
184 HB3 PHE 24 HB3 PHE 24 4.017 1.368 -6.498
185 HD1 PHE 24 HD1 PHE 24 3.731 3.507 -7.580
186 HD2 PHE 24 HD2 PHE 24 6.176 3.128 -4.126
187 HE1 PHE 24 HE1 PHE 24 4.689 5.729 -8.013
188 HE2 PHE 24 HE2 PHE 24 7.143 5.337 -4.551
189 HZ PHE 24 HZ PHE 24 6.402 6.646 -6.502
190 H GLY 25 H GLY 25 1.265 1.295 -3.048
191 HA2 GLY 25 HA2 GLY 25 1.951 -1.406 -2.485
192 HA3 GLY 25 HA3 GLY 25 0.491 -0.563 -1.983
193 H LYS 26 H LYS 26 1.047 -3.282 -3.092
194 HA LYS 26 HA LYS 26 -0.708 -3.234 -5.458
195 HB2 LYS 26 HB2 LYS 26 1.151 -5.426 -4.504
196 HB3 LYS 26 HB3 LYS 26 0.225 -5.424 -6.000
197 HG2 LYS 26 HG2 LYS 26 2.438 -3.503 -5.311
198 HG3 LYS 26 HG3 LYS 26 2.580 -4.904 -6.373
199 HD2 LYS 26 HD2 LYS 26 0.923 -3.931 -7.885
200 HD3 LYS 26 HD3 LYS 26 0.771 -2.531 -6.820
201 HE2 LYS 26 HE2 LYS 26 2.234 -2.082 -8.741
202 HE3 LYS 26 HE3 LYS 26 3.093 -1.952 -7.206
203 HZ1 LYS 26 HZ1 LYS 26 4.334 -3.172 -8.879
204 HZ2 LYS 26 HZ2 LYS 26 3.168 -4.302 -8.963
205 HZ3 LYS 26 HZ3 LYS 26 4.013 -4.110 -7.588
206 H CYS 27 H CYS 27 -2.648 -4.218 -5.356
207 HA CYS 27 HA CYS 27 -4.050 -4.575 -3.058
208 HB2 CYS 27 HB2 CYS 27 -4.475 -6.128 -5.617
209 HB3 CYS 27 HB3 CYS 27 -5.682 -5.840 -4.367
210 H MET 28 H MET 28 -3.678 -5.837 -1.358
211 HA MET 28 HA MET 28 -3.418 -8.700 -1.673
212 HB2 MET 28 HB2 MET 28 -1.153 -7.009 -0.644
213 HB3 MET 28 HB3 MET 28 -1.362 -8.666 -0.100
214 HG2 MET 28 HG2 MET 28 -0.977 -7.792 -2.955
215 HG3 MET 28 HG3 MET 28 0.264 -8.484 -1.912
216 HE1 MET 28 HE1 MET 28 -1.068 -12.124 -1.366
217 HE2 MET 28 HE2 MET 28 -1.493 -10.745 -0.356
218 HE3 MET 28 HE3 MET 28 0.161 -10.934 -0.938
219 H ASN 29 H ASN 29 -4.710 -9.533 -0.190
220 HA ASN 29 HA ASN 29 -5.816 -9.929 1.757
221 HB2 ASN 29 HB2 ASN 29 -3.574 -8.311 2.986
222 HB3 ASN 29 HB3 ASN 29 -4.684 -9.358 3.864
223 HD21 ASN 29 HD21 ASN 29 -1.747 -9.398 3.544
224 HD22 ASN 29 HD22 ASN 29 -1.372 -10.980 2.961
225 H LYS 30 H LYS 30 -7.033 -8.109 0.372
226 HA LYS 30 HA LYS 30 -8.616 -6.514 0.432
227 HB2 LYS 30 HB2 LYS 30 -8.106 -6.626 3.394
228 HB3 LYS 30 HB3 LYS 30 -9.279 -5.530 2.679
229 HG2 LYS 30 HG2 LYS 30 -10.356 -7.553 1.633
230 HG3 LYS 30 HG3 LYS 30 -9.304 -8.534 2.652
231 HD2 LYS 30 HD2 LYS 30 -11.462 -8.284 3.713
232 HD3 LYS 30 HD3 LYS 30 -10.242 -7.415 4.643
233 HE2 LYS 30 HE2 LYS 30 -12.303 -6.114 4.437
234 HE3 LYS 30 HE3 LYS 30 -10.954 -5.311 3.641
235 HZ1 LYS 30 HZ1 LYS 30 -13.060 -6.854 2.300
236 HZ2 LYS 30 HZ2 LYS 30 -11.801 -6.160 1.547
237 HZ3 LYS 30 HZ3 LYS 30 -12.911 -5.233 2.288
238 H LYS 31 H LYS 31 -5.606 -5.744 2.072
239 HA LYS 31 HA LYS 31 -5.922 -2.977 1.151
240 HB2 LYS 31 HB2 LYS 31 -4.214 -4.192 3.303
241 HB3 LYS 31 HB3 LYS 31 -3.738 -2.672 2.562
242 HG2 LYS 31 HG2 LYS 31 -4.929 -2.190 4.566
243 HG3 LYS 31 HG3 LYS 31 -5.938 -1.725 3.196
244 HD2 LYS 31 HD2 LYS 31 -7.452 -2.813 4.563
245 HD3 LYS 31 HD3 LYS 31 -6.954 -4.102 3.467
246 HE2 LYS 31 HE2 LYS 31 -6.970 -4.984 5.686
247 HE3 LYS 31 HE3 LYS 31 -5.289 -4.809 5.186
248 HZ1 LYS 31 HZ1 LYS 31 -5.155 -2.816 6.468
249 HZ2 LYS 31 HZ2 LYS 31 -5.697 -4.009 7.428
250 HZ3 LYS 31 HZ3 LYS 31 -6.732 -2.889 6.868
251 H CYS 32 H CYS 32 -2.710 -3.402 1.570
252 HA CYS 32 HA CYS 32 -2.231 -4.580 -1.029
253 HB2 CYS 32 HB2 CYS 32 -1.556 -1.712 -0.389
254 HB3 CYS 32 HB3 CYS 32 -0.917 -2.590 -1.774
255 H LYS 33 H LYS 33 0.020 -4.819 -1.525
256 HA LYS 33 HA LYS 33 1.911 -4.530 0.688
257 HB2 LYS 33 HB2 LYS 33 1.570 -6.776 1.017
258 HB3 LYS 33 HB3 LYS 33 1.048 -7.051 -0.639
259 HG2 LYS 33 HG2 LYS 33 3.373 -6.909 -1.390
260 HG3 LYS 33 HG3 LYS 33 3.888 -6.655 0.279
261 HD2 LYS 33 HD2 LYS 33 2.407 -9.094 -0.699
262 HD3 LYS 33 HD3 LYS 33 4.157 -9.000 -0.510
263 HE2 LYS 33 HE2 LYS 33 3.842 -8.501 1.885
264 HE3 LYS 33 HE3 LYS 33 2.101 -8.684 1.674
265 HZ1 LYS 33 HZ1 LYS 33 3.174 -10.679 2.516
266 HZ2 LYS 33 HZ2 LYS 33 4.065 -10.800 1.162
267 HZ3 LYS 33 HZ3 LYS 33 2.449 -10.953 1.084
268 H CYS 34 H CYS 34 3.932 -3.938 0.000
269 HA CYS 34 HA CYS 34 4.235 -2.849 -2.574
270 HB2 CYS 34 HB2 CYS 34 6.466 -3.610 -0.682
271 HB3 CYS 34 HB3 CYS 34 6.489 -2.350 -1.917
Start of MODEL 10
1 H1 GLN 1 H1 GLN 1 -17.019 7.109 -2.875
2 H2 GLN 1 H2 GLN 1 -16.320 7.701 -1.534
3 H3 GLN 1 H3 GLN 1 -17.202 6.346 -1.453
4 HA GLN 1 HA GLN 1 -15.663 5.144 -2.781
5 HB2 GLN 1 HB2 GLN 1 -13.522 6.202 -3.386
6 HB3 GLN 1 HB3 GLN 1 -14.885 6.997 -4.157
7 HG2 GLN 1 HG2 GLN 1 -14.758 8.839 -2.665
8 HG3 GLN 1 HG3 GLN 1 -13.594 8.003 -1.638
9 HE21 GLN 1 HE21 GLN 1 -14.082 9.661 -4.656
10 HE22 GLN 1 HE22 GLN 1 -12.407 9.909 -5.015
11 H MET 2 H MET 2 -13.240 4.708 -2.007
12 HA MET 2 HA MET 2 -11.856 4.057 -0.348
13 HB2 MET 2 HB2 MET 2 -13.083 6.376 1.140
14 HB3 MET 2 HB3 MET 2 -11.699 5.449 1.698
15 HG2 MET 2 HG2 MET 2 -10.409 6.156 -0.237
16 HG3 MET 2 HG3 MET 2 -11.805 7.023 -0.867
17 HE1 MET 2 HE1 MET 2 -9.366 6.756 2.212
18 HE2 MET 2 HE2 MET 2 -10.955 6.905 2.965
19 HE3 MET 2 HE3 MET 2 -9.785 8.215 3.110
20 H ASP 3 H ASP 3 -12.564 2.076 0.121
21 HA ASP 3 HA ASP 3 -14.726 1.784 2.107
22 HB2 ASP 3 HB2 ASP 3 -15.103 0.911 -0.253
23 HB3 ASP 3 HB3 ASP 3 -13.861 -0.285 0.084
24 H MET 4 H MET 4 -11.574 1.822 2.026
25 HA MET 4 HA MET 4 -9.763 0.778 2.854
26 HB2 MET 4 HB2 MET 4 -9.888 0.211 5.245
27 HB3 MET 4 HB3 MET 4 -10.583 1.770 4.862
28 HG2 MET 4 HG2 MET 4 -12.071 0.933 6.388
29 HG3 MET 4 HG3 MET 4 -12.830 0.498 4.861
30 HE1 MET 4 HE1 MET 4 -13.509 -0.776 7.766
31 HE2 MET 4 HE2 MET 4 -13.732 -2.464 7.303
32 HE3 MET 4 HE3 MET 4 -14.374 -1.177 6.283
33 H ARG 5 H ARG 5 -11.425 -0.994 1.223
34 HA ARG 5 HA ARG 5 -10.459 -3.527 2.342
35 HB2 ARG 5 HB2 ARG 5 -13.101 -3.038 0.984
36 HB3 ARG 5 HB3 ARG 5 -12.442 -4.631 1.323
37 HG2 ARG 5 HG2 ARG 5 -12.404 -4.115 3.694
38 HG3 ARG 5 HG3 ARG 5 -13.096 -2.529 3.354
39 HD2 ARG 5 HD2 ARG 5 -14.851 -4.017 4.068
40 HD3 ARG 5 HD3 ARG 5 -15.062 -3.653 2.356
41 HE ARG 5 HE ARG 5 -13.651 -5.945 2.292
42 HH11 ARG 5 HH11 ARG 5 -16.563 -5.004 3.984
43 HH12 ARG 5 HH12 ARG 5 -17.214 -6.610 4.024
44 HH21 ARG 5 HH21 ARG 5 -14.510 -8.068 2.328
45 HH22 ARG 5 HH22 ARG 5 -16.046 -8.355 3.090
46 H CYS 6 H CYS 6 -8.779 -2.372 0.751
47 HA CYS 6 HA CYS 6 -7.324 -3.148 -0.791
48 HB2 CYS 6 HB2 CYS 6 -8.284 -5.398 -0.185
49 HB3 CYS 6 HB3 CYS 6 -9.407 -5.214 -1.524
50 H SER 7 H SER 7 -9.478 -1.219 -1.247
51 HA SER 7 HA SER 7 -9.140 -0.772 -4.039
52 HB2 SER 7 HB2 SER 7 -11.810 -1.739 -3.031
53 HB3 SER 7 HB3 SER 7 -11.625 -0.814 -4.513
54 HG SER 7 HG SER 7 -9.898 -2.940 -4.312
55 H ALA 8 H ALA 8 -9.219 0.369 -1.155
56 HA ALA 8 HA ALA 8 -11.238 2.402 -1.238
57 HB1 ALA 8 HB1 ALA 8 -10.439 1.419 0.860
58 HB2 ALA 8 HB2 ALA 8 -10.331 3.179 0.843
59 HB3 ALA 8 HB3 ALA 8 -8.879 2.203 0.610
60 H SER 9 H SER 9 -8.381 2.194 -2.870
61 HA SER 9 HA SER 9 -7.314 3.687 -4.218
62 HB2 SER 9 HB2 SER 9 -9.320 5.698 -3.150
63 HB3 SER 9 HB3 SER 9 -8.279 5.917 -4.564
64 HG SER 9 HG SER 9 -9.357 3.890 -5.335
65 H VAL 10 H VAL 10 -6.773 3.319 -1.252
66 HA VAL 10 HA VAL 10 -4.838 5.492 -1.034
67 HB VAL 10 HB VAL 10 -6.864 6.355 0.071
68 HG11 VAL 10 HG11 VAL 10 -7.869 4.297 0.832
69 HG12 VAL 10 HG12 VAL 10 -7.608 5.375 2.204
70 HG13 VAL 10 HG13 VAL 10 -6.522 4.012 1.934
71 HG21 VAL 10 HG21 VAL 10 -4.695 7.123 0.829
72 HG22 VAL 10 HG22 VAL 10 -4.580 5.764 1.947
73 HG23 VAL 10 HG23 VAL 10 -5.810 7.005 2.191
74 H GLU 11 H GLU 11 -5.972 2.337 0.040
75 HA GLU 11 HA GLU 11 -4.076 1.879 2.065
76 HB2 GLU 11 HB2 GLU 11 -5.053 -0.359 0.339
77 HB3 GLU 11 HB3 GLU 11 -4.809 -0.326 2.070
78 HG2 GLU 11 HG2 GLU 11 -7.040 -0.264 2.100
79 HG3 GLU 11 HG3 GLU 11 -6.771 1.467 1.881
80 H CYS 12 H CYS 12 -3.954 1.564 -1.408
81 HA CYS 12 HA CYS 12 -1.555 0.059 -1.515
82 HB2 CYS 12 HB2 CYS 12 -2.752 1.862 -3.627
83 HB3 CYS 12 HB3 CYS 12 -1.502 0.645 -3.889
84 H LYS 13 H LYS 13 -2.033 3.123 -0.412
85 HA LYS 13 HA LYS 13 0.732 3.821 -1.107
86 HB2 LYS 13 HB2 LYS 13 -1.297 5.754 0.014
87 HB3 LYS 13 HB3 LYS 13 0.228 6.126 -0.770
88 HG2 LYS 13 HG2 LYS 13 -2.262 5.064 -2.091
89 HG3 LYS 13 HG3 LYS 13 -1.599 6.688 -2.220
90 HD2 LYS 13 HD2 LYS 13 0.417 5.750 -3.274
91 HD3 LYS 13 HD3 LYS 13 -0.338 4.157 -3.231
92 HE2 LYS 13 HE2 LYS 13 -0.609 5.173 -5.423
93 HE3 LYS 13 HE3 LYS 13 -2.170 4.995 -4.626
94 HZ1 LYS 13 HZ1 LYS 13 -1.939 7.139 -5.666
95 HZ2 LYS 13 HZ2 LYS 13 -0.623 7.485 -4.777
96 HZ3 LYS 13 HZ3 LYS 13 -2.067 7.317 -4.055
97 H GLN 14 H GLN 14 -1.669 3.934 1.505
98 HA GLN 14 HA GLN 14 0.229 4.760 3.460
99 HB2 GLN 14 HB2 GLN 14 -2.592 3.737 3.724
100 HB3 GLN 14 HB3 GLN 14 -1.643 4.368 5.064
101 HG2 GLN 14 HG2 GLN 14 -2.390 5.902 2.584
102 HG3 GLN 14 HG3 GLN 14 -3.189 6.027 4.147
103 HE21 GLN 14 HE21 GLN 14 -0.372 6.829 2.303
104 HE22 GLN 14 HE22 GLN 14 0.310 7.936 3.442
105 H LYS 15 H LYS 15 -1.141 1.616 2.582
106 HA LYS 15 HA LYS 15 -0.204 0.211 4.852
107 HB2 LYS 15 HB2 LYS 15 -1.796 -0.439 2.769
108 HB3 LYS 15 HB3 LYS 15 -0.311 -1.224 2.268
109 HG2 LYS 15 HG2 LYS 15 -1.767 -1.694 4.863
110 HG3 LYS 15 HG3 LYS 15 -1.733 -2.770 3.468
111 HD2 LYS 15 HD2 LYS 15 0.716 -2.985 3.733
112 HD3 LYS 15 HD3 LYS 15 0.625 -1.972 5.173
113 HE2 LYS 15 HE2 LYS 15 0.705 -4.252 5.879
114 HE3 LYS 15 HE3 LYS 15 -0.927 -3.651 6.169
115 HZ1 LYS 15 HZ1 LYS 15 -0.894 -5.843 5.163
116 HZ2 LYS 15 HZ2 LYS 15 -0.135 -5.264 3.852
117 HZ3 LYS 15 HZ3 LYS 15 -1.644 -4.769 4.201
118 H CYS 16 H CYS 16 1.117 0.684 1.612
119 HA CYS 16 HA CYS 16 3.470 -0.784 1.988
120 HB2 CYS 16 HB2 CYS 16 2.654 1.382 0.094
121 HB3 CYS 16 HB3 CYS 16 4.289 0.733 0.074
122 H LEU 17 H LEU 17 2.648 2.515 2.806
123 HA LEU 17 HA LEU 17 5.262 3.432 3.305
124 HB2 LEU 17 HB2 LEU 17 2.749 4.535 3.371
125 HB3 LEU 17 HB3 LEU 17 3.164 4.483 5.071
126 HG LEU 17 HG LEU 17 3.732 6.644 4.150
127 HD11 LEU 17 HD11 LEU 17 6.116 6.745 4.726
128 HD12 LEU 17 HD12 LEU 17 6.185 4.984 4.699
129 HD13 LEU 17 HD13 LEU 17 5.187 5.809 5.895
130 HD21 LEU 17 HD21 LEU 17 5.412 6.884 2.391
131 HD22 LEU 17 HD22 LEU 17 3.986 6.014 1.826
132 HD23 LEU 17 HD23 LEU 17 5.464 5.131 2.207
133 H LYS 18 H LYS 18 2.928 1.659 5.232
134 HA LYS 18 HA LYS 18 4.540 1.667 7.617
135 HB2 LYS 18 HB2 LYS 18 2.204 -0.106 6.869
136 HB3 LYS 18 HB3 LYS 18 2.884 0.088 8.479
137 HG2 LYS 18 HG2 LYS 18 2.168 2.385 8.557
138 HG3 LYS 18 HG3 LYS 18 1.597 2.296 6.889
139 HD2 LYS 18 HD2 LYS 18 -0.036 0.587 7.550
140 HD3 LYS 18 HD3 LYS 18 0.528 0.703 9.218
141 HE2 LYS 18 HE2 LYS 18 -0.139 3.064 9.266
142 HE3 LYS 18 HE3 LYS 18 -0.721 2.927 7.608
143 HZ1 LYS 18 HZ1 LYS 18 -2.304 1.298 8.375
144 HZ2 LYS 18 HZ2 LYS 18 -2.502 2.693 9.183
145 HZ3 LYS 18 HZ3 LYS 18 -1.769 1.436 9.908
146 H ALA 19 H ALA 19 4.078 -0.372 4.834
147 HA ALA 19 HA ALA 19 5.345 -2.697 5.850
148 HB1 ALA 19 HB1 ALA 19 5.323 -3.491 3.563
149 HB2 ALA 19 HB2 ALA 19 4.964 -1.868 2.978
150 HB3 ALA 19 HB3 ALA 19 3.780 -2.733 3.957
151 H ILE 20 H ILE 20 6.534 -0.646 3.178
152 HA ILE 20 HA ILE 20 9.270 -1.148 4.163
153 HB ILE 20 HB ILE 20 10.044 -1.243 1.831
154 HG12 ILE 20 HG12 ILE 20 7.106 -1.257 1.101
155 HG13 ILE 20 HG13 ILE 20 8.184 0.115 0.872
156 HG21 ILE 20 HG21 ILE 20 9.551 -3.319 2.988
157 HG22 ILE 20 HG22 ILE 20 9.138 -3.457 1.279
158 HG23 ILE 20 HG23 ILE 20 7.866 -3.226 2.478
159 HD11 ILE 20 HD11 ILE 20 7.843 -1.107 -1.197
160 HD12 ILE 20 HD12 ILE 20 8.457 -2.579 -0.441
161 HD13 ILE 20 HD13 ILE 20 9.527 -1.198 -0.679
162 H GLY 21 H GLY 21 6.980 1.165 3.271
163 HA2 GLY 21 HA2 GLY 21 7.316 3.503 3.473
164 HA3 GLY 21 HA3 GLY 21 9.037 3.249 3.211
165 H SER 22 H SER 22 6.066 2.450 1.437
166 HA SER 22 HA SER 22 7.088 3.898 -0.892
167 HB2 SER 22 HB2 SER 22 7.730 1.507 -1.180
168 HB3 SER 22 HB3 SER 22 6.038 1.052 -0.995
169 HG SER 22 HG SER 22 7.075 1.445 -3.218
170 H ILE 23 H ILE 23 5.353 4.226 -2.521
171 HA ILE 23 HA ILE 23 2.660 4.108 -1.347
172 HB ILE 23 HB ILE 23 2.117 6.270 -2.364
173 HG12 ILE 23 HG12 ILE 23 5.071 6.440 -2.983
174 HG13 ILE 23 HG13 ILE 23 3.803 6.185 -4.178
175 HG21 ILE 23 HG21 ILE 23 3.423 7.675 -0.823
176 HG22 ILE 23 HG22 ILE 23 4.503 6.310 -0.532
177 HG23 ILE 23 HG23 ILE 23 2.808 6.213 -0.052
178 HD11 ILE 23 HD11 ILE 23 4.538 8.489 -4.137
179 HD12 ILE 23 HD12 ILE 23 4.117 8.603 -2.429
180 HD13 ILE 23 HD13 ILE 23 2.855 8.350 -3.632
181 H PHE 24 H PHE 24 3.946 2.291 -3.122
182 HA PHE 24 HA PHE 24 2.238 2.607 -5.485
183 HB2 PHE 24 HB2 PHE 24 5.077 1.556 -5.551
184 HB3 PHE 24 HB3 PHE 24 4.027 1.868 -6.934
185 HD1 PHE 24 HD1 PHE 24 3.449 4.198 -7.541
186 HD2 PHE 24 HD2 PHE 24 6.283 3.322 -4.492
187 HE1 PHE 24 HE1 PHE 24 4.249 6.518 -7.622
188 HE2 PHE 24 HE2 PHE 24 7.101 5.630 -4.578
189 HZ PHE 24 HZ PHE 24 6.092 7.236 -6.153
190 H GLY 25 H GLY 25 1.261 1.350 -3.529
191 HA2 GLY 25 HA2 GLY 25 2.141 -1.314 -3.082
192 HA3 GLY 25 HA3 GLY 25 0.681 -0.562 -2.463
193 H LYS 26 H LYS 26 1.048 -3.213 -3.353
194 HA LYS 26 HA LYS 26 -0.717 -3.353 -5.705
195 HB2 LYS 26 HB2 LYS 26 1.141 -5.416 -4.488
196 HB3 LYS 26 HB3 LYS 26 0.084 -5.710 -5.865
197 HG2 LYS 26 HG2 LYS 26 2.314 -3.685 -5.795
198 HG3 LYS 26 HG3 LYS 26 2.415 -5.289 -6.518
199 HD2 LYS 26 HD2 LYS 26 0.459 -3.152 -7.355
200 HD3 LYS 26 HD3 LYS 26 1.985 -3.491 -8.171
201 HE2 LYS 26 HE2 LYS 26 -0.322 -5.405 -7.836
202 HE3 LYS 26 HE3 LYS 26 0.122 -4.565 -9.319
203 HZ1 LYS 26 HZ1 LYS 26 0.971 -6.784 -9.329
204 HZ2 LYS 26 HZ2 LYS 26 1.755 -6.565 -7.924
205 HZ3 LYS 26 HZ3 LYS 26 2.227 -5.752 -9.247
206 H CYS 27 H CYS 27 -2.751 -4.032 -5.372
207 HA CYS 27 HA CYS 27 -4.000 -4.316 -2.954
208 HB2 CYS 27 HB2 CYS 27 -5.258 -4.067 -4.988
209 HB3 CYS 27 HB3 CYS 27 -4.669 -5.608 -5.601
210 H MET 28 H MET 28 -3.663 -5.689 -1.324
211 HA MET 28 HA MET 28 -3.415 -8.522 -1.689
212 HB2 MET 28 HB2 MET 28 -0.977 -6.863 -1.184
213 HB3 MET 28 HB3 MET 28 -1.102 -8.441 -0.424
214 HG2 MET 28 HG2 MET 28 -1.292 -7.935 -3.383
215 HG3 MET 28 HG3 MET 28 0.165 -8.449 -2.538
216 HE1 MET 28 HE1 MET 28 0.486 -10.808 -1.422
217 HE2 MET 28 HE2 MET 28 -0.785 -12.025 -1.305
218 HE3 MET 28 HE3 MET 28 -0.922 -10.516 -0.402
219 H ASN 29 H ASN 29 -4.218 -9.474 0.049
220 HA ASN 29 HA ASN 29 -4.830 -9.949 2.178
221 HB2 ASN 29 HB2 ASN 29 -2.500 -8.165 2.890
222 HB3 ASN 29 HB3 ASN 29 -3.301 -9.288 3.983
223 HD21 ASN 29 HD21 ASN 29 -0.530 -9.195 3.165
224 HD22 ASN 29 HD22 ASN 29 -0.187 -10.727 2.439
225 H LYS 30 H LYS 30 -6.556 -8.306 1.266
226 HA LYS 30 HA LYS 30 -8.306 -7.054 1.981
227 HB2 LYS 30 HB2 LYS 30 -6.739 -6.874 4.551
228 HB3 LYS 30 HB3 LYS 30 -8.327 -6.154 4.328
229 HG2 LYS 30 HG2 LYS 30 -9.293 -8.339 3.922
230 HG3 LYS 30 HG3 LYS 30 -7.701 -9.086 4.048
231 HD2 LYS 30 HD2 LYS 30 -8.991 -9.347 6.117
232 HD3 LYS 30 HD3 LYS 30 -7.536 -8.384 6.374
233 HE2 LYS 30 HE2 LYS 30 -9.452 -7.424 7.540
234 HE3 LYS 30 HE3 LYS 30 -8.857 -6.339 6.286
235 HZ1 LYS 30 HZ1 LYS 30 -10.649 -7.104 4.882
236 HZ2 LYS 30 HZ2 LYS 30 -11.238 -6.479 6.259
237 HZ3 LYS 30 HZ3 LYS 30 -11.200 -8.089 6.056
238 H LYS 31 H LYS 31 -5.079 -5.770 2.289
239 HA LYS 31 HA LYS 31 -6.152 -3.189 1.369
240 HB2 LYS 31 HB2 LYS 31 -3.994 -3.707 3.389
241 HB3 LYS 31 HB3 LYS 31 -3.923 -2.261 2.396
242 HG2 LYS 31 HG2 LYS 31 -4.939 -1.684 4.460
243 HG3 LYS 31 HG3 LYS 31 -6.193 -1.665 3.221
244 HD2 LYS 31 HD2 LYS 31 -6.834 -3.959 3.926
245 HD3 LYS 31 HD3 LYS 31 -5.683 -3.820 5.259
246 HE2 LYS 31 HE2 LYS 31 -8.109 -2.098 4.768
247 HE3 LYS 31 HE3 LYS 31 -7.901 -3.290 6.049
248 HZ1 LYS 31 HZ1 LYS 31 -6.100 -1.909 6.894
249 HZ2 LYS 31 HZ2 LYS 31 -7.514 -1.116 6.893
250 HZ3 LYS 31 HZ3 LYS 31 -6.402 -0.787 5.756
251 H CYS 32 H CYS 32 -2.815 -3.188 1.571
252 HA CYS 32 HA CYS 32 -2.382 -4.387 -1.030
253 HB2 CYS 32 HB2 CYS 32 -1.869 -1.487 -0.409
254 HB3 CYS 32 HB3 CYS 32 -1.194 -2.316 -1.805
255 H LYS 33 H LYS 33 -0.077 -4.434 -1.583
256 HA LYS 33 HA LYS 33 1.816 -4.075 0.597
257 HB2 LYS 33 HB2 LYS 33 1.355 -6.273 1.156
258 HB3 LYS 33 HB3 LYS 33 0.930 -6.712 -0.495
259 HG2 LYS 33 HG2 LYS 33 3.306 -6.603 -1.112
260 HG3 LYS 33 HG3 LYS 33 3.707 -6.250 0.573
261 HD2 LYS 33 HD2 LYS 33 2.712 -8.404 1.236
262 HD3 LYS 33 HD3 LYS 33 2.370 -8.750 -0.462
263 HE2 LYS 33 HE2 LYS 33 5.095 -8.329 0.761
264 HE3 LYS 33 HE3 LYS 33 4.409 -9.873 0.264
265 HZ1 LYS 33 HZ1 LYS 33 5.003 -7.628 -1.542
266 HZ2 LYS 33 HZ2 LYS 33 4.400 -9.073 -1.992
267 HZ3 LYS 33 HZ3 LYS 33 5.902 -8.978 -1.386
268 H CYS 34 H CYS 34 3.829 -3.568 -0.168
269 HA CYS 34 HA CYS 34 4.269 -3.785 -3.055
270 HB2 CYS 34 HB2 CYS 34 5.866 -2.347 -0.925
271 HB3 CYS 34 HB3 CYS 34 6.243 -2.338 -2.647