Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
27686 | 2roo RC | 11044 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 CYS 1 1H CYS 1 5.326 -10.312 -0.899
2 H2 CYS 1 2H CYS 1 3.892 -10.981 -0.332
3 H3 CYS 1 3H CYS 1 4.207 -10.943 -1.983
4 HA CYS 1 HA CYS 1 4.115 -8.529 -1.980
5 HB2 CYS 1 2HB CYS 1 1.688 -8.336 -1.501
6 HB3 CYS 1 1HB CYS 1 2.043 -9.794 -2.427
7 H GLY 2 H GLY 2 3.899 -6.585 -0.741
8 HA2 GLY 2 2HA GLY 2 4.725 -6.839 2.052
9 HA3 GLY 2 1HA GLY 2 4.422 -5.325 1.195
10 H SER 3 H SER 3 3.372 -6.856 3.797
11 HA SER 3 HA SER 3 0.454 -6.455 3.326
12 HB2 SER 3 2HB SER 3 2.037 -7.797 5.529
13 HB3 SER 3 1HB SER 3 0.311 -7.476 5.672
14 HG SER 3 HG SER 3 -0.067 -9.062 4.342
15 H LYS 4 H LYS 4 -0.433 -5.645 5.824
16 HA LYS 4 HA LYS 4 -0.013 -2.880 5.868
17 HB2 LYS 4 2HB LYS 4 -1.595 -4.377 7.358
18 HB3 LYS 4 1HB LYS 4 -0.252 -4.340 8.495
19 HG2 LYS 4 2HG LYS 4 -0.283 -1.887 8.498
20 HG3 LYS 4 1HG LYS 4 -1.572 -1.886 7.294
21 HD2 LYS 4 2HD LYS 4 -3.048 -3.083 8.875
22 HD3 LYS 4 1HD LYS 4 -1.764 -3.061 10.084
23 HE2 LYS 4 2HE LYS 4 -3.063 -0.613 8.849
24 HE3 LYS 4 1HE LYS 4 -3.360 -1.225 10.476
25 HZ1 LYS 4 3HZ LYS 4 -0.746 -0.298 9.437
26 HZ2 LYS 4 1HZ LYS 4 -1.741 0.561 10.486
27 HZ3 LYS 4 2HZ LYS 4 -1.032 -0.879 10.989
28 H ARG 5 H ARG 5 1.757 -1.640 6.373
29 HA ARG 5 HA ARG 5 3.911 -1.100 7.153
30 HB2 ARG 5 2HB ARG 5 2.828 -1.879 9.342
31 HB3 ARG 5 1HB ARG 5 3.590 -3.439 9.047
32 HG2 ARG 5 2HG ARG 5 5.667 -1.613 8.653
33 HG3 ARG 5 1HG ARG 5 4.785 -0.955 10.031
34 HD2 ARG 5 2HD ARG 5 6.112 -3.643 9.756
35 HD3 ARG 5 1HD ARG 5 6.306 -2.445 11.034
36 HE ARG 5 HE ARG 5 3.815 -2.996 11.638
37 HH11 ARG 5 1HH2 ARG 5 6.113 -5.204 10.163
38 HH12 ARG 5 2HH2 ARG 5 5.310 -6.621 10.745
39 HH21 ARG 5 2HH1 ARG 5 2.796 -4.869 12.358
40 HH22 ARG 5 1HH1 ARG 5 3.438 -6.433 11.984
41 H ALA 6 H ALA 6 4.615 -1.976 5.008
42 HA ALA 6 HA ALA 6 6.772 -3.823 5.253
43 HB1 ALA 6 1HB ALA 6 4.213 -4.974 4.111
44 HB2 ALA 6 2HB ALA 6 5.112 -5.567 5.505
45 HB3 ALA 6 3HB ALA 6 5.800 -5.704 3.889
46 H TRP 7 H TRP 7 8.095 -3.405 3.606
47 HA TRP 7 HA TRP 7 7.644 -1.491 1.633
48 HB2 TRP 7 2HB TRP 7 9.878 -2.079 2.168
49 HB3 TRP 7 1HB TRP 7 9.599 -3.778 1.788
50 HD1 TRP 7 HD TRP 7 10.251 -0.408 0.177
51 HE1 TRP 7 1HE TRP 7 10.784 -0.754 -2.322
52 HE3 TRP 7 3HE TRP 7 9.168 -5.372 -0.265
53 HZ2 TRP 7 2HZ TRP 7 10.747 -2.869 -4.256
54 HZ3 TRP 7 3HZ TRP 7 9.422 -6.529 -2.441
55 HH2 TRP 7 HH TRP 7 10.210 -5.285 -4.436
56 H CYS 8 H CYS 8 6.886 -1.493 -0.459
57 HA CYS 8 HA CYS 8 6.031 -4.131 -1.625
58 HB2 CYS 8 2HB CYS 8 4.424 -2.357 -2.926
59 HB3 CYS 8 1HB CYS 8 3.933 -3.241 -1.495
60 H LYS 9 H LYS 9 6.072 -4.108 -4.034
61 HA LYS 9 HA LYS 9 8.435 -2.645 -5.017
62 HB2 LYS 9 2HB LYS 9 7.773 -5.113 -5.518
63 HB3 LYS 9 1HB LYS 9 6.641 -4.418 -6.674
64 HG2 LYS 9 2HG LYS 9 8.455 -3.290 -7.844
65 HG3 LYS 9 1HG LYS 9 9.611 -3.843 -6.630
66 HD2 LYS 9 2HD LYS 9 8.852 -6.230 -7.238
67 HD3 LYS 9 1HD LYS 9 8.093 -5.496 -8.649
68 HE2 LYS 9 2HE LYS 9 10.078 -5.187 -9.702
69 HE3 LYS 9 1HE LYS 9 10.881 -4.627 -8.235
70 HZ1 LYS 9 3HZ LYS 9 10.264 -7.445 -8.902
71 HZ2 LYS 9 1HZ LYS 9 11.783 -6.728 -8.983
72 HZ3 LYS 9 2HZ LYS 9 11.021 -6.919 -7.496
73 H GLU 10 H GLU 10 4.958 -2.955 -5.767
74 HA GLU 10 HA GLU 10 5.031 -0.173 -6.926
75 HB2 GLU 10 2HB GLU 10 3.945 -2.614 -8.367
76 HB3 GLU 10 1HB GLU 10 3.746 -0.947 -8.905
77 HG2 GLU 10 2HG GLU 10 6.189 -0.704 -9.093
78 HG3 GLU 10 1HG GLU 10 6.402 -2.362 -8.530
79 H LYS 11 H LYS 11 2.469 -0.073 -7.833
80 HA LYS 11 HA LYS 11 0.892 0.197 -5.470
81 HB2 LYS 11 2HB LYS 11 0.472 1.498 -7.488
82 HB3 LYS 11 1HB LYS 11 0.095 0.032 -8.391
83 HG2 LYS 11 2HG LYS 11 -1.987 1.077 -7.771
84 HG3 LYS 11 1HG LYS 11 -1.807 -0.371 -6.783
85 HD2 LYS 11 2HD LYS 11 -1.233 0.873 -4.856
86 HD3 LYS 11 1HD LYS 11 -0.869 2.323 -5.794
87 HE2 LYS 11 2HE LYS 11 -3.047 2.980 -5.830
88 HE3 LYS 11 1HE LYS 11 -3.628 1.348 -6.156
89 HZ1 LYS 11 3HZ LYS 11 -2.750 2.372 -3.523
90 HZ2 LYS 11 1HZ LYS 11 -4.344 2.121 -3.997
91 HZ3 LYS 11 2HZ LYS 11 -3.300 0.813 -3.833
92 H LYS 12 H LYS 12 0.987 -2.364 -7.955
93 HA LYS 12 HA LYS 12 -1.120 -3.871 -6.602
94 HB2 LYS 12 2HB LYS 12 0.307 -3.960 -9.138
95 HB3 LYS 12 1HB LYS 12 -0.080 -5.539 -8.500
96 HG2 LYS 12 2HG LYS 12 -2.435 -4.021 -8.162
97 HG3 LYS 12 1HG LYS 12 -1.826 -3.570 -9.753
98 HD2 LYS 12 2HD LYS 12 -1.645 -5.981 -10.340
99 HD3 LYS 12 1HD LYS 12 -2.338 -6.392 -8.771
100 HE2 LYS 12 2HE LYS 12 -4.159 -6.418 -10.324
101 HE3 LYS 12 1HE LYS 12 -4.323 -4.926 -9.398
102 HZ1 LYS 12 3HZ LYS 12 -3.064 -5.165 -12.068
103 HZ2 LYS 12 1HZ LYS 12 -4.590 -4.531 -11.759
104 HZ3 LYS 12 2HZ LYS 12 -3.221 -3.743 -11.184
105 H ASP 13 H ASP 13 2.158 -3.468 -6.049
106 HA ASP 13 HA ASP 13 2.768 -6.334 -5.578
107 HB2 ASP 13 2HB ASP 13 4.426 -4.524 -6.257
108 HB3 ASP 13 1HB ASP 13 4.362 -3.989 -4.575
109 H CYS 14 H CYS 14 0.940 -4.157 -3.746
110 HA CYS 14 HA CYS 14 1.961 -5.065 -1.154
111 HB2 CYS 14 2HB CYS 14 -0.281 -3.266 -2.061
112 HB3 CYS 14 1HB CYS 14 -0.151 -3.790 -0.401
113 H CYS 15 H CYS 15 0.846 -6.559 0.191
114 HA CYS 15 HA CYS 15 -0.449 -8.709 -0.986
115 HB2 CYS 15 2HB CYS 15 -0.721 -7.633 1.826
116 HB3 CYS 15 1HB CYS 15 -1.196 -9.232 1.305
117 H CYS 16 H CYS 16 -2.719 -9.394 -0.751
118 HA CYS 16 HA CYS 16 -4.493 -7.532 -1.871
119 HB2 CYS 16 2HB CYS 16 -4.650 -10.251 -0.774
120 HB3 CYS 16 1HB CYS 16 -6.147 -9.350 -0.693
121 H GLY 17 H GLY 17 -5.941 -6.110 -1.057
122 HA2 GLY 17 2HA GLY 17 -7.276 -5.026 0.579
123 HA3 GLY 17 1HA GLY 17 -6.647 -6.139 1.794
124 H TYR 18 H TYR 18 -4.047 -4.982 -0.010
125 HA TYR 18 HA TYR 18 -3.697 -2.652 1.920
126 HB2 TYR 18 2HB TYR 18 -1.593 -4.704 1.180
127 HB3 TYR 18 1HB TYR 18 -1.379 -3.330 2.267
128 HD1 TYR 18 1HD TYR 18 -2.666 -3.222 4.423
129 HD2 TYR 18 2HD TYR 18 -2.693 -6.698 1.902
130 HE1 TYR 18 1HE TYR 18 -3.562 -4.579 6.298
131 HE2 TYR 18 2HE TYR 18 -3.574 -8.056 3.778
132 HH TYR 18 HH TYR 18 -3.609 -7.975 6.246
133 H ASN 19 H ASN 19 -2.697 -0.863 1.045
134 HA ASN 19 HA ASN 19 -2.181 -0.921 -1.898
135 HB2 ASN 19 2HB ASN 19 -2.636 1.437 -1.868
136 HB3 ASN 19 1HB ASN 19 -3.873 0.696 -0.851
137 HD21 ASN 19 1HD2 ASN 19 -2.779 3.483 -0.629
138 HD22 ASN 19 2HD2 ASN 19 -2.145 3.594 0.939
139 H CYS 20 H CYS 20 -0.325 0.579 -2.600
140 HA CYS 20 HA CYS 20 1.975 0.247 -0.706
141 HB2 CYS 20 2HB CYS 20 2.080 -0.716 -3.071
142 HB3 CYS 20 1HB CYS 20 2.115 0.948 -3.645
143 H VAL 21 H VAL 21 2.886 2.011 0.192
144 HA VAL 21 HA VAL 21 2.138 4.696 -0.910
145 HB VAL 21 HB VAL 21 2.085 3.596 1.838
146 HG11 VAL 21 1HG1 VAL 21 3.387 6.260 1.226
147 HG12 VAL 21 2HG1 VAL 21 3.993 4.965 2.257
148 HG13 VAL 21 3HG1 VAL 21 2.611 5.927 2.776
149 HG21 VAL 21 3HG2 VAL 21 0.363 5.296 2.103
150 HG22 VAL 21 1HG2 VAL 21 0.121 4.486 0.555
151 HG23 VAL 21 2HG2 VAL 21 0.864 6.085 0.608
152 H TYR 22 H TYR 22 3.845 5.935 -1.588
153 HA TYR 22 HA TYR 22 6.574 4.830 -1.221
154 HB2 TYR 22 2HB TYR 22 5.925 5.899 -3.335
155 HB3 TYR 22 1HB TYR 22 5.581 7.404 -2.488
156 HD1 TYR 22 2HD TYR 22 8.437 4.950 -2.329
157 HD2 TYR 22 1HD TYR 22 7.189 9.008 -2.994
158 HE1 TYR 22 2HE TYR 22 10.802 5.637 -2.567
159 HE2 TYR 22 1HE TYR 22 9.559 9.693 -3.238
160 HH TYR 22 HH TYR 22 12.044 7.563 -3.750
161 H ALA 23 H ALA 23 7.862 5.293 0.499
162 HA ALA 23 HA ALA 23 7.127 7.603 2.231
163 HB1 ALA 23 1HB ALA 23 7.282 5.603 3.499
164 HB2 ALA 23 2HB ALA 23 8.785 6.467 3.819
165 HB3 ALA 23 3HB ALA 23 8.771 5.113 2.692
166 H TRP 24 H TRP 24 8.151 9.036 0.512
167 HA TRP 24 HA TRP 24 10.895 8.972 -0.138
168 HB2 TRP 24 2HB TRP 24 10.689 11.308 -0.692
169 HB3 TRP 24 1HB TRP 24 9.167 10.526 -1.111
170 HD1 TRP 24 HD TRP 24 7.085 10.915 0.555
171 HE1 TRP 24 1HE TRP 24 6.553 12.880 2.140
172 HE3 TRP 24 3HE TRP 24 11.701 13.076 0.857
173 HZ2 TRP 24 2HZ TRP 24 7.912 15.074 3.378
174 HZ3 TRP 24 3HZ TRP 24 12.056 15.098 2.246
175 HH2 TRP 24 HH TRP 24 10.170 16.098 3.507
176 H TYR 25 H TYR 25 9.243 10.208 2.779
177 HA TYR 25 HA TYR 25 11.499 11.590 3.898
178 HB2 TYR 25 2HB TYR 25 10.350 10.638 6.143
179 HB3 TYR 25 1HB TYR 25 9.644 11.951 5.205
180 HD1 TYR 25 1HD TYR 25 7.724 11.562 3.733
181 HD2 TYR 25 2HD TYR 25 9.380 8.400 6.114
182 HE1 TYR 25 1HE TYR 25 5.682 10.211 3.349
183 HE2 TYR 25 2HE TYR 25 7.338 7.044 5.732
184 HH TYR 25 HH TYR 25 4.536 8.382 4.037
185 H ASN 26 H ASN 26 10.906 8.176 3.555
186 HA ASN 26 HA ASN 26 13.611 7.667 4.677
187 HB2 ASN 26 2HB ASN 26 12.833 5.765 5.982
188 HB3 ASN 26 1HB ASN 26 11.935 7.197 6.481
189 HD21 ASN 26 1HD2 ASN 26 11.616 4.651 3.930
190 HD22 ASN 26 2HD2 ASN 26 9.948 4.435 4.156
191 H GLN 27 H GLN 27 12.380 7.768 1.970
192 HA GLN 27 HA GLN 27 12.300 6.480 0.030
193 HB2 GLN 27 2HB GLN 27 14.586 5.319 1.595
194 HB3 GLN 27 1HB GLN 27 14.159 4.648 0.021
195 HG2 GLN 27 2HG GLN 27 15.764 6.268 -0.536
196 HG3 GLN 27 1HG GLN 27 14.250 7.133 -0.794
197 HE21 GLN 27 1HE2 GLN 27 13.927 9.031 0.417
198 HE22 GLN 27 2HE2 GLN 27 14.928 9.530 1.693
199 H GLN 28 H GLN 28 12.522 3.833 -0.564
200 HA GLN 28 HA GLN 28 11.307 1.829 -0.486
201 HB2 GLN 28 2HB GLN 28 11.544 2.497 2.456
202 HB3 GLN 28 1HB GLN 28 10.811 1.004 1.879
203 HG2 GLN 28 2HG GLN 28 13.371 1.513 0.567
204 HG3 GLN 28 1HG GLN 28 13.543 1.447 2.320
205 HE21 GLN 28 1HE2 GLN 28 13.242 -0.489 -0.492
206 HE22 GLN 28 2HE2 GLN 28 12.945 -1.972 0.280
207 H SER 29 H SER 29 9.127 1.017 -0.286
208 HA SER 29 HA SER 29 7.114 3.148 0.338
209 HB2 SER 29 2HB SER 29 6.855 0.816 -1.583
210 HB3 SER 29 1HB SER 29 5.655 2.072 -1.299
211 HG SER 29 HG SER 29 7.727 3.430 -1.828
212 H SER 30 H SER 30 5.606 2.612 1.916
213 HA SER 30 HA SER 30 5.731 -0.122 2.991
214 HB2 SER 30 2HB SER 30 5.433 0.734 5.106
215 HB3 SER 30 1HB SER 30 6.197 2.126 4.344
216 HG SER 30 HG SER 30 4.122 2.958 3.946
217 H CYS 31 H CYS 31 3.985 -1.410 2.783
218 HA CYS 31 HA CYS 31 1.593 -0.479 1.451
219 HB2 CYS 31 2HB CYS 31 2.182 -3.069 2.904
220 HB3 CYS 31 1HB CYS 31 0.752 -2.782 1.924
221 H GLU 32 H GLU 32 -0.514 -0.249 2.266
222 HA GLU 32 HA GLU 32 -0.865 -0.502 5.232
223 HB2 GLU 32 2HB GLU 32 -0.916 1.709 5.702
224 HB3 GLU 32 1HB GLU 32 -0.197 1.973 4.116
225 HG2 GLU 32 2HG GLU 32 -2.455 2.107 3.130
226 HG3 GLU 32 1HG GLU 32 -3.159 1.891 4.734
227 H ARG 33 H ARG 33 -3.110 -0.725 5.787
228 HA ARG 33 HA ARG 33 -4.694 -2.132 3.967
229 HB2 ARG 33 2HB ARG 33 -6.488 -1.960 5.507
230 HB3 ARG 33 1HB ARG 33 -5.019 -1.940 6.478
231 HG2 ARG 33 2HG ARG 33 -5.292 0.261 7.102
232 HG3 ARG 33 1HG ARG 33 -6.060 0.717 5.585
233 HD2 ARG 33 2HD ARG 33 -8.113 -0.460 6.257
234 HD3 ARG 33 1HD ARG 33 -7.349 -0.929 7.771
235 HE ARG 33 HE ARG 33 -7.108 1.889 7.699
236 HH11 ARG 33 1HH2 ARG 33 -9.623 -0.524 7.438
237 HH12 ARG 33 2HH2 ARG 33 -10.833 0.463 8.188
238 HH21 ARG 33 2HH1 ARG 33 -8.703 3.154 8.688
239 HH22 ARG 33 1HH1 ARG 33 -10.311 2.545 8.897
240 H LYS 34 H LYS 34 -7.200 -1.080 3.926
241 HA LYS 34 HA LYS 34 -8.397 0.978 3.237
242 HB2 LYS 34 2HB LYS 34 -5.964 1.245 1.483
243 HB3 LYS 34 1HB LYS 34 -7.472 2.070 1.118
244 HG2 LYS 34 2HG LYS 34 -7.419 3.047 3.443
245 HG3 LYS 34 1HG LYS 34 -5.802 2.378 3.627
246 HD2 LYS 34 2HD LYS 34 -4.986 3.678 1.747
247 HD3 LYS 34 1HD LYS 34 -6.614 4.259 1.401
248 HE2 LYS 34 2HE LYS 34 -6.686 5.341 3.631
249 HE3 LYS 34 1HE LYS 34 -5.029 4.809 3.925
250 HZ1 LYS 34 3HZ LYS 34 -5.908 6.572 1.714
251 HZ2 LYS 34 1HZ LYS 34 -5.095 7.071 3.099
252 HZ3 LYS 34 2HZ LYS 34 -4.329 6.064 1.991
253 H TRP 35 H TRP 35 -10.081 -0.150 2.512
254 HA TRP 35 HA TRP 35 -9.779 -1.730 -0.010
255 HB2 TRP 35 2HB TRP 35 -11.904 -2.016 2.125
256 HB3 TRP 35 1HB TRP 35 -11.678 -3.053 0.725
257 HD1 TRP 35 HD TRP 35 -8.337 -2.876 1.263
258 HE1 TRP 35 1HE TRP 35 -7.406 -4.508 3.023
259 HE3 TRP 35 3HE TRP 35 -12.641 -4.041 3.763
260 HZ2 TRP 35 2HZ TRP 35 -8.352 -6.097 5.200
261 HZ3 TRP 35 3HZ TRP 35 -12.593 -5.619 5.675
262 HH2 TRP 35 HH TRP 35 -10.456 -6.647 6.396
263 H LYS 36 H LYS 36 -12.513 -0.409 1.704
264 HA LYS 36 HA LYS 36 -13.921 0.431 -0.626
265 HB2 LYS 36 2HB LYS 36 -15.026 0.080 1.549
266 HB3 LYS 36 1HB LYS 36 -14.212 1.420 2.221
267 HG2 LYS 36 2HG LYS 36 -15.328 2.855 0.543
268 HG3 LYS 36 1HG LYS 36 -16.156 1.439 -0.106
269 HD2 LYS 36 2HD LYS 36 -17.277 1.069 2.032
270 HD3 LYS 36 1HD LYS 36 -16.392 2.411 2.756
271 HE2 LYS 36 2HE LYS 36 -18.489 3.345 2.181
272 HE3 LYS 36 1HE LYS 36 -17.417 3.857 0.878
273 HZ1 LYS 36 3HZ LYS 36 -19.228 1.516 0.802
274 HZ2 LYS 36 1HZ LYS 36 -19.490 2.982 0.021
275 HZ3 LYS 36 2HZ LYS 36 -18.205 2.000 -0.441
276 H TYR 37 H TYR 37 -11.578 1.938 1.451
277 HA TYR 37 HA TYR 37 -12.044 4.654 0.377
278 HB2 TYR 37 2HB TYR 37 -9.766 3.463 1.982
279 HB3 TYR 37 1HB TYR 37 -9.931 5.178 1.608
280 HD1 TYR 37 2HD TYR 37 -11.462 2.321 3.410
281 HD2 TYR 37 1HD TYR 37 -11.536 6.564 2.741
282 HE1 TYR 37 2HE TYR 37 -12.998 2.598 5.337
283 HE2 TYR 37 1HE TYR 37 -13.073 6.840 4.668
284 HH TYR 37 HH TYR 37 -14.148 5.831 6.319
285 H LEU 38 H LEU 38 -11.067 2.154 -1.342
286 HA LEU 38 HA LEU 38 -9.095 3.745 -2.826
287 HB2 LEU 38 2HB LEU 38 -8.448 1.458 -1.426
288 HB3 LEU 38 1HB LEU 38 -8.720 0.841 -3.053
289 HG LEU 38 HG LEU 38 -7.119 2.464 -3.965
290 HD11 LEU 38 1HD1 LEU 38 -7.382 3.609 -1.255
291 HD12 LEU 38 2HD1 LEU 38 -6.914 4.388 -2.765
292 HD13 LEU 38 3HD1 LEU 38 -5.716 3.503 -1.826
293 HD21 LEU 38 3HD2 LEU 38 -5.069 1.641 -2.564
294 HD22 LEU 38 1HD2 LEU 38 -6.044 0.447 -3.418
295 HD23 LEU 38 2HD2 LEU 38 -6.262 0.687 -1.685
296 H PHE 39 H PHE 39 -9.205 3.592 -5.083
297 HA PHE 39 HA PHE 39 -11.757 3.165 -6.231
298 HB2 PHE 39 2HB PHE 39 -8.976 3.439 -7.332
299 HB3 PHE 39 1HB PHE 39 -10.276 2.956 -8.420
300 HD1 PHE 39 1HD PHE 39 -10.514 5.227 -5.466
301 HD2 PHE 39 2HD PHE 39 -10.575 4.899 -9.749
302 HE1 PHE 39 1HE PHE 39 -11.246 7.587 -5.635
303 HE2 PHE 39 2HE PHE 39 -11.309 7.262 -9.917
304 HZ PHE 39 HZ PHE 39 -11.644 8.606 -7.860
305 H THR 40 H THR 40 -12.681 1.411 -7.311
306 HA THR 40 HA THR 40 -13.111 -0.903 -7.538
307 HB THR 40 HB THR 40 -11.392 -2.040 -8.906
308 HG1 THR 40 1HG THR 40 -9.599 -0.437 -9.431
309 HG21 THR 40 3HG2 THR 40 -11.231 -0.177 -10.695
310 HG22 THR 40 1HG2 THR 40 -12.161 0.802 -9.560
311 HG23 THR 40 2HG2 THR 40 -12.841 -0.697 -10.196
312 H GLY 41 H GLY 41 -9.779 -1.630 -7.223
313 HA2 GLY 41 2HA GLY 41 -8.767 -2.131 -4.944
314 HA3 GLY 41 1HA GLY 41 -10.306 -2.908 -4.563
315 H GLU 42 H GLU 42 -9.864 -5.072 -4.437
316 HA GLU 42 HA GLU 42 -9.065 -7.173 -5.156
317 HB2 GLU 42 2HB GLU 42 -10.139 -7.687 -7.075
318 HB3 GLU 42 1HB GLU 42 -10.454 -5.971 -7.301
319 HG2 GLU 42 2HG GLU 42 -8.403 -5.717 -8.590
320 HG3 GLU 42 1HG GLU 42 -7.950 -7.392 -8.263
321 H CYS 43 H CYS 43 -6.991 -7.613 -4.709
322 HA CYS 43 HA CYS 43 -4.844 -6.013 -5.957
323 HB2 CYS 43 2HB CYS 43 -3.632 -6.517 -4.087
324 HB3 CYS 43 1HB CYS 43 -5.215 -6.903 -3.438
325 HXT CYS 43 2HT CYS 43 -3.283 -8.633 -7.761
Start of MODEL 2
1 H1 CYS 1 1H CYS 1 5.527 -9.851 -1.034
2 H2 CYS 1 2H CYS 1 4.396 -10.744 -0.165
3 H3 CYS 1 3H CYS 1 4.415 -10.817 -1.844
4 HA CYS 1 HA CYS 1 3.783 -8.487 -1.985
5 HB2 CYS 1 2HB CYS 1 1.498 -8.752 -1.226
6 HB3 CYS 1 1HB CYS 1 2.022 -10.297 -1.872
7 H GLY 2 H GLY 2 3.733 -6.500 -0.938
8 HA2 GLY 2 2HA GLY 2 4.763 -6.350 1.780
9 HA3 GLY 2 1HA GLY 2 4.202 -4.981 0.812
10 H SER 3 H SER 3 3.480 -6.731 3.539
11 HA SER 3 HA SER 3 0.530 -6.430 3.243
12 HB2 SER 3 2HB SER 3 2.253 -7.806 5.319
13 HB3 SER 3 1HB SER 3 0.507 -7.646 5.465
14 HG SER 3 HG SER 3 1.602 -9.588 4.343
15 H LYS 4 H LYS 4 -0.060 -6.026 6.000
16 HA LYS 4 HA LYS 4 0.033 -3.217 6.206
17 HB2 LYS 4 2HB LYS 4 -1.243 -5.066 7.638
18 HB3 LYS 4 1HB LYS 4 0.141 -4.876 8.711
19 HG2 LYS 4 2HG LYS 4 -0.281 -2.499 8.934
20 HG3 LYS 4 1HG LYS 4 -1.561 -2.568 7.725
21 HD2 LYS 4 2HD LYS 4 -2.822 -4.135 9.201
22 HD3 LYS 4 1HD LYS 4 -1.571 -3.938 10.429
23 HE2 LYS 4 2HE LYS 4 -3.166 -1.646 9.254
24 HE3 LYS 4 1HE LYS 4 -3.555 -2.440 10.779
25 HZ1 LYS 4 3HZ LYS 4 -1.002 -1.082 10.147
26 HZ2 LYS 4 1HZ LYS 4 -2.220 -0.466 11.130
27 HZ3 LYS 4 2HZ LYS 4 -1.372 -1.840 11.601
28 H ARG 5 H ARG 5 1.740 -1.880 6.575
29 HA ARG 5 HA ARG 5 3.908 -1.188 7.123
30 HB2 ARG 5 2HB ARG 5 3.551 -3.328 9.251
31 HB3 ARG 5 1HB ARG 5 4.837 -2.123 9.234
32 HG2 ARG 5 2HG ARG 5 3.161 -0.319 9.315
33 HG3 ARG 5 1HG ARG 5 1.867 -1.517 9.326
34 HD2 ARG 5 2HD ARG 5 2.785 -2.456 11.437
35 HD3 ARG 5 1HD ARG 5 4.019 -1.197 11.440
36 HE ARG 5 HE ARG 5 1.119 -0.839 12.071
37 HH11 ARG 5 1HH2 ARG 5 4.213 0.543 11.197
38 HH12 ARG 5 2HH2 ARG 5 3.833 2.114 11.818
39 HH21 ARG 5 2HH1 ARG 5 0.658 1.219 12.883
40 HH22 ARG 5 1HH1 ARG 5 1.821 2.497 12.771
41 H ALA 6 H ALA 6 4.753 -2.013 5.123
42 HA ALA 6 HA ALA 6 6.926 -3.836 5.359
43 HB1 ALA 6 1HB ALA 6 5.925 -5.685 3.892
44 HB2 ALA 6 2HB ALA 6 4.347 -5.012 4.298
45 HB3 ALA 6 3HB ALA 6 5.386 -5.651 5.570
46 H TRP 7 H TRP 7 8.239 -3.540 3.637
47 HA TRP 7 HA TRP 7 7.865 -1.552 1.717
48 HB2 TRP 7 2HB TRP 7 10.064 -2.339 2.096
49 HB3 TRP 7 1HB TRP 7 9.615 -4.004 1.748
50 HD1 TRP 7 HD TRP 7 9.890 -0.608 -0.076
51 HE1 TRP 7 1HE TRP 7 10.511 -1.071 -2.537
52 HE3 TRP 7 3HE TRP 7 9.772 -5.708 -0.063
53 HZ2 TRP 7 2HZ TRP 7 10.909 -3.317 -4.267
54 HZ3 TRP 7 3HZ TRP 7 10.275 -6.985 -2.125
55 HH2 TRP 7 HH TRP 7 10.844 -5.798 -4.226
56 H CYS 8 H CYS 8 7.141 -1.478 -0.394
57 HA CYS 8 HA CYS 8 5.795 -3.931 -1.477
58 HB2 CYS 8 2HB CYS 8 3.846 -2.779 -1.518
59 HB3 CYS 8 1HB CYS 8 4.648 -1.383 -0.804
60 H LYS 9 H LYS 9 6.016 -4.201 -3.777
61 HA LYS 9 HA LYS 9 8.302 -2.678 -4.909
62 HB2 LYS 9 2HB LYS 9 8.400 -5.137 -4.970
63 HB3 LYS 9 1HB LYS 9 6.909 -5.182 -5.911
64 HG2 LYS 9 2HG LYS 9 7.936 -4.351 -7.827
65 HG3 LYS 9 1HG LYS 9 9.199 -3.525 -6.922
66 HD2 LYS 9 2HD LYS 9 9.965 -5.576 -8.202
67 HD3 LYS 9 1HD LYS 9 10.346 -5.593 -6.484
68 HE2 LYS 9 2HE LYS 9 9.426 -7.769 -7.322
69 HE3 LYS 9 1HE LYS 9 8.464 -7.069 -6.026
70 HZ1 LYS 9 3HZ LYS 9 7.887 -6.845 -8.921
71 HZ2 LYS 9 1HZ LYS 9 7.076 -7.837 -7.833
72 HZ3 LYS 9 2HZ LYS 9 6.967 -6.165 -7.689
73 H GLU 10 H GLU 10 4.858 -3.305 -5.387
74 HA GLU 10 HA GLU 10 4.731 -0.899 -7.156
75 HB2 GLU 10 2HB GLU 10 3.849 -3.636 -8.140
76 HB3 GLU 10 1HB GLU 10 3.449 -2.115 -8.925
77 HG2 GLU 10 2HG GLU 10 6.259 -3.157 -8.486
78 HG3 GLU 10 1HG GLU 10 5.376 -3.224 -10.050
79 H LYS 11 H LYS 11 2.265 -0.727 -7.859
80 HA LYS 11 HA LYS 11 0.698 -0.510 -5.480
81 HB2 LYS 11 2HB LYS 11 0.182 0.806 -7.465
82 HB3 LYS 11 1HB LYS 11 -0.096 -0.653 -8.411
83 HG2 LYS 11 2HG LYS 11 -1.894 -1.085 -6.433
84 HG3 LYS 11 1HG LYS 11 -1.860 0.677 -6.398
85 HD2 LYS 11 2HD LYS 11 -2.304 -0.984 -8.901
86 HD3 LYS 11 1HD LYS 11 -3.592 -0.237 -7.959
87 HE2 LYS 11 2HE LYS 11 -2.768 1.975 -8.444
88 HE3 LYS 11 1HE LYS 11 -1.294 1.327 -9.167
89 HZ1 LYS 11 3HZ LYS 11 -4.040 0.915 -10.194
90 HZ2 LYS 11 1HZ LYS 11 -2.897 1.957 -10.853
91 HZ3 LYS 11 2HZ LYS 11 -2.637 0.296 -10.882
92 H LYS 12 H LYS 12 0.621 -2.869 -8.131
93 HA LYS 12 HA LYS 12 -1.351 -4.556 -6.838
94 HB2 LYS 12 2HB LYS 12 -0.943 -4.343 -9.334
95 HB3 LYS 12 1HB LYS 12 0.507 -5.319 -9.095
96 HG2 LYS 12 2HG LYS 12 -1.075 -6.988 -7.885
97 HG3 LYS 12 1HG LYS 12 -2.374 -6.103 -8.682
98 HD2 LYS 12 2HD LYS 12 -0.019 -7.381 -10.101
99 HD3 LYS 12 1HD LYS 12 -1.638 -8.070 -10.090
100 HE2 LYS 12 2HE LYS 12 -0.890 -5.428 -11.301
101 HE3 LYS 12 1HE LYS 12 -1.362 -6.903 -12.140
102 HZ1 LYS 12 3HZ LYS 12 -3.063 -5.380 -10.255
103 HZ2 LYS 12 1HZ LYS 12 -3.212 -5.377 -11.929
104 HZ3 LYS 12 2HZ LYS 12 -3.509 -6.787 -11.062
105 H ASP 13 H ASP 13 2.206 -4.604 -7.072
106 HA ASP 13 HA ASP 13 2.638 -7.237 -6.178
107 HB2 ASP 13 2HB ASP 13 4.198 -4.693 -6.172
108 HB3 ASP 13 1HB ASP 13 4.818 -6.059 -5.275
109 H CYS 14 H CYS 14 1.020 -4.865 -4.508
110 HA CYS 14 HA CYS 14 2.104 -5.627 -1.858
111 HB2 CYS 14 2HB CYS 14 1.435 -3.263 -2.243
112 HB3 CYS 14 1HB CYS 14 -0.220 -3.794 -2.529
113 H CYS 15 H CYS 15 0.859 -6.788 -0.320
114 HA CYS 15 HA CYS 15 -0.762 -8.861 -1.353
115 HB2 CYS 15 2HB CYS 15 0.204 -8.027 1.223
116 HB3 CYS 15 1HB CYS 15 -1.502 -8.447 1.362
117 H CYS 16 H CYS 16 -2.937 -9.099 -1.609
118 HA CYS 16 HA CYS 16 -4.543 -6.850 -2.153
119 HB2 CYS 16 2HB CYS 16 -4.884 -9.709 -2.064
120 HB3 CYS 16 1HB CYS 16 -6.277 -8.944 -1.308
121 H GLY 17 H GLY 17 -5.507 -5.408 -0.848
122 HA2 GLY 17 2HA GLY 17 -6.992 -5.022 1.109
123 HA3 GLY 17 1HA GLY 17 -6.011 -6.179 2.001
124 H TYR 18 H TYR 18 -3.765 -4.662 0.199
125 HA TYR 18 HA TYR 18 -3.471 -2.402 2.213
126 HB2 TYR 18 2HB TYR 18 -1.359 -4.308 1.209
127 HB3 TYR 18 1HB TYR 18 -1.028 -2.884 2.186
128 HD1 TYR 18 2HD TYR 18 -2.279 -2.687 4.432
129 HD2 TYR 18 1HD TYR 18 -1.946 -6.328 2.200
130 HE1 TYR 18 2HE TYR 18 -2.861 -3.981 6.468
131 HE2 TYR 18 1HE TYR 18 -2.524 -7.634 4.236
132 HH TYR 18 HH TYR 18 -3.399 -6.007 7.266
133 H ASN 19 H ASN 19 -2.630 -0.485 1.414
134 HA ASN 19 HA ASN 19 -2.394 -0.306 -1.562
135 HB2 ASN 19 2HB ASN 19 -4.038 1.152 -0.233
136 HB3 ASN 19 1HB ASN 19 -2.619 1.986 0.403
137 HD21 ASN 19 1HD2 ASN 19 -2.819 3.981 -0.718
138 HD22 ASN 19 2HD2 ASN 19 -2.797 4.105 -2.409
139 H CYS 20 H CYS 20 -0.496 0.638 -2.490
140 HA CYS 20 HA CYS 20 1.887 0.545 -0.739
141 HB2 CYS 20 2HB CYS 20 1.792 -0.416 -3.114
142 HB3 CYS 20 1HB CYS 20 1.815 1.255 -3.681
143 H VAL 21 H VAL 21 2.809 2.315 0.126
144 HA VAL 21 HA VAL 21 2.077 4.998 -0.988
145 HB VAL 21 HB VAL 21 2.354 4.224 1.933
146 HG11 VAL 21 1HG1 VAL 21 3.158 6.472 1.622
147 HG12 VAL 21 2HG1 VAL 21 1.517 6.599 2.255
148 HG13 VAL 21 3HG1 VAL 21 1.823 6.861 0.538
149 HG21 VAL 21 3HG2 VAL 21 -0.143 5.214 1.694
150 HG22 VAL 21 1HG2 VAL 21 0.213 3.502 1.465
151 HG23 VAL 21 2HG2 VAL 21 0.046 4.562 0.067
152 H TYR 22 H TYR 22 3.746 6.412 -1.285
153 HA TYR 22 HA TYR 22 6.472 5.405 -1.066
154 HB2 TYR 22 2HB TYR 22 5.937 7.089 -2.716
155 HB3 TYR 22 1HB TYR 22 5.365 8.198 -1.470
156 HD1 TYR 22 2HD TYR 22 8.421 6.213 -2.386
157 HD2 TYR 22 1HD TYR 22 6.834 9.806 -0.640
158 HE1 TYR 22 2HE TYR 22 10.724 7.099 -2.101
159 HE2 TYR 22 1HE TYR 22 9.133 10.686 -0.352
160 HH TYR 22 HH TYR 22 11.781 9.436 -1.912
161 H ALA 23 H ALA 23 8.018 5.750 0.501
162 HA ALA 23 HA ALA 23 7.067 6.602 3.154
163 HB1 ALA 23 1HB ALA 23 9.891 5.830 2.664
164 HB2 ALA 23 2HB ALA 23 8.657 4.594 2.426
165 HB3 ALA 23 3HB ALA 23 8.809 5.388 3.988
166 H TRP 24 H TRP 24 9.873 7.340 3.806
167 HA TRP 24 HA TRP 24 10.515 9.765 2.375
168 HB2 TRP 24 2HB TRP 24 9.917 11.306 4.340
169 HB3 TRP 24 1HB TRP 24 8.584 10.752 3.330
170 HD1 TRP 24 HD TRP 24 10.299 9.913 6.682
171 HE1 TRP 24 1HE TRP 24 8.555 8.827 8.236
172 HE3 TRP 24 3HE TRP 24 6.326 9.636 3.490
173 HZ2 TRP 24 2HZ TRP 24 5.830 7.968 8.146
174 HZ3 TRP 24 3HZ TRP 24 4.167 8.689 4.253
175 HH2 TRP 24 HH TRP 24 3.913 7.855 6.574
176 H TYR 25 H TYR 25 10.725 8.120 5.615
177 HA TYR 25 HA TYR 25 13.520 9.277 5.752
178 HB2 TYR 25 2HB TYR 25 13.538 8.431 8.107
179 HB3 TYR 25 1HB TYR 25 12.334 9.666 7.785
180 HD1 TYR 25 1HD TYR 25 11.270 6.582 6.316
181 HD2 TYR 25 2HD TYR 25 11.555 8.652 10.061
182 HE1 TYR 25 1HE TYR 25 9.520 5.111 7.255
183 HE2 TYR 25 2HE TYR 25 9.803 7.181 11.005
184 HH TYR 25 HH TYR 25 8.325 4.591 9.057
185 H ASN 26 H ASN 26 12.317 6.794 4.249
186 HA ASN 26 HA ASN 26 14.713 5.110 4.761
187 HB2 ASN 26 2HB ASN 26 13.130 3.076 4.405
188 HB3 ASN 26 1HB ASN 26 13.160 3.838 5.992
189 HD21 ASN 26 1HD2 ASN 26 11.633 6.195 4.534
190 HD22 ASN 26 2HD2 ASN 26 10.032 5.660 4.578
191 H GLN 27 H GLN 27 12.959 6.852 2.622
192 HA GLN 27 HA GLN 27 12.697 6.833 0.290
193 HB2 GLN 27 2HB GLN 27 15.371 5.441 0.602
194 HB3 GLN 27 1HB GLN 27 14.766 6.132 -0.904
195 HG2 GLN 27 2HG GLN 27 15.160 7.688 1.670
196 HG3 GLN 27 1HG GLN 27 16.285 7.696 0.310
197 HE21 GLN 27 1HE2 GLN 27 13.790 9.472 1.618
198 HE22 GLN 27 2HE2 GLN 27 13.214 10.226 0.210
199 H GLN 28 H GLN 28 11.461 4.602 1.679
200 HA GLN 28 HA GLN 28 11.587 2.539 -0.492
201 HB2 GLN 28 2HB GLN 28 11.270 2.221 2.496
202 HB3 GLN 28 1HB GLN 28 10.708 0.977 1.384
203 HG2 GLN 28 2HG GLN 28 13.538 2.062 1.443
204 HG3 GLN 28 1HG GLN 28 13.029 0.562 2.216
205 HE21 GLN 28 1HE2 GLN 28 12.478 -1.263 0.824
206 HE22 GLN 28 2HE2 GLN 28 12.864 -1.265 -0.830
207 H SER 29 H SER 29 9.358 1.106 0.159
208 HA SER 29 HA SER 29 7.122 3.102 0.138
209 HB2 SER 29 2HB SER 29 7.215 0.556 -1.505
210 HB3 SER 29 1HB SER 29 5.999 1.823 -1.566
211 HG SER 29 HG SER 29 7.402 2.191 -3.236
212 H SER 30 H SER 30 5.727 2.635 1.813
213 HA SER 30 HA SER 30 5.780 -0.106 2.901
214 HB2 SER 30 2HB SER 30 5.569 0.743 5.039
215 HB3 SER 30 1HB SER 30 6.449 2.061 4.276
216 HG SER 30 HG SER 30 4.509 3.137 3.974
217 H CYS 31 H CYS 31 3.960 -1.272 2.483
218 HA CYS 31 HA CYS 31 1.630 -0.010 1.395
219 HB2 CYS 31 2HB CYS 31 2.527 -2.637 1.563
220 HB3 CYS 31 1HB CYS 31 1.087 -2.624 2.571
221 H GLU 32 H GLU 32 -0.350 0.481 2.299
222 HA GLU 32 HA GLU 32 -0.674 0.016 5.245
223 HB2 GLU 32 2HB GLU 32 -0.360 2.166 5.898
224 HB3 GLU 32 1HB GLU 32 0.448 2.391 4.349
225 HG2 GLU 32 2HG GLU 32 -1.746 3.014 3.337
226 HG3 GLU 32 1HG GLU 32 -2.479 2.877 4.937
227 H ARG 33 H ARG 33 -2.835 -0.341 5.711
228 HA ARG 33 HA ARG 33 -4.701 -0.562 3.550
229 HB2 ARG 33 2HB ARG 33 -4.657 -1.398 6.194
230 HB3 ARG 33 1HB ARG 33 -5.891 -0.143 6.228
231 HG2 ARG 33 2HG ARG 33 -6.410 -1.655 3.882
232 HG3 ARG 33 1HG ARG 33 -6.050 -2.835 5.135
233 HD2 ARG 33 2HD ARG 33 -7.894 -0.619 5.891
234 HD3 ARG 33 1HD ARG 33 -8.509 -1.812 4.763
235 HE ARG 33 HE ARG 33 -7.225 -2.823 7.293
236 HH11 ARG 33 1HH2 ARG 33 -10.034 -2.163 5.304
237 HH12 ARG 33 2HH2 ARG 33 -11.067 -3.245 6.177
238 HH21 ARG 33 2HH1 ARG 33 -8.606 -4.232 8.405
239 HH22 ARG 33 1HH1 ARG 33 -10.261 -4.412 7.928
240 H LYS 34 H LYS 34 -5.353 1.239 2.433
241 HA LYS 34 HA LYS 34 -5.231 3.854 3.527
242 HB2 LYS 34 2HB LYS 34 -6.550 4.486 1.435
243 HB3 LYS 34 1HB LYS 34 -4.991 3.704 1.177
244 HG2 LYS 34 2HG LYS 34 -6.092 1.547 0.836
245 HG3 LYS 34 1HG LYS 34 -7.662 2.268 1.189
246 HD2 LYS 34 2HD LYS 34 -7.418 3.758 -0.758
247 HD3 LYS 34 1HD LYS 34 -5.844 3.043 -1.112
248 HE2 LYS 34 2HE LYS 34 -6.901 0.845 -1.429
249 HE3 LYS 34 1HE LYS 34 -8.475 1.538 -1.038
250 HZ1 LYS 34 3HZ LYS 34 -6.755 2.349 -3.307
251 HZ2 LYS 34 1HZ LYS 34 -8.138 1.400 -3.420
252 HZ3 LYS 34 2HZ LYS 34 -8.257 3.006 -2.934
253 H TRP 35 H TRP 35 -7.595 1.455 3.865
254 HA TRP 35 HA TRP 35 -9.753 1.512 4.815
255 HB2 TRP 35 2HB TRP 35 -9.022 4.292 5.773
256 HB3 TRP 35 1HB TRP 35 -10.133 3.146 6.520
257 HD1 TRP 35 HD TRP 35 -6.536 4.149 6.410
258 HE1 TRP 35 1HE TRP 35 -5.154 2.609 7.950
259 HE3 TRP 35 3HE TRP 35 -10.024 0.566 7.429
260 HZ2 TRP 35 2HZ TRP 35 -5.488 0.176 9.418
261 HZ3 TRP 35 3HZ TRP 35 -9.472 -1.347 8.903
262 HH2 TRP 35 HH TRP 35 -7.209 -1.546 9.899
263 H LYS 36 H LYS 36 -11.489 3.677 5.176
264 HA LYS 36 HA LYS 36 -12.758 5.335 4.084
265 HB2 LYS 36 2HB LYS 36 -10.989 4.685 1.724
266 HB3 LYS 36 1HB LYS 36 -12.322 5.828 1.664
267 HG2 LYS 36 2HG LYS 36 -11.288 7.129 3.493
268 HG3 LYS 36 1HG LYS 36 -9.935 5.999 3.518
269 HD2 LYS 36 2HD LYS 36 -9.372 6.576 1.206
270 HD3 LYS 36 1HD LYS 36 -10.763 7.659 1.120
271 HE2 LYS 36 2HE LYS 36 -9.816 9.028 2.939
272 HE3 LYS 36 1HE LYS 36 -8.426 7.948 3.032
273 HZ1 LYS 36 3HZ LYS 36 -9.222 9.534 0.660
274 HZ2 LYS 36 1HZ LYS 36 -7.945 9.893 1.694
275 HZ3 LYS 36 2HZ LYS 36 -7.896 8.504 0.746
276 H TYR 37 H TYR 37 -12.493 2.063 3.638
277 HA TYR 37 HA TYR 37 -15.157 2.076 2.191
278 HB2 TYR 37 2HB TYR 37 -14.437 -0.050 1.066
279 HB3 TYR 37 1HB TYR 37 -13.538 1.370 0.545
280 HD1 TYR 37 1HD TYR 37 -11.239 1.781 1.399
281 HD2 TYR 37 2HD TYR 37 -13.357 -1.860 2.237
282 HE1 TYR 37 1HE TYR 37 -9.108 0.682 2.024
283 HE2 TYR 37 2HE TYR 37 -11.226 -2.952 2.875
284 HH TYR 37 HH TYR 37 -8.142 -1.164 2.758
285 H LEU 38 H LEU 38 -15.973 1.946 4.424
286 HA LEU 38 HA LEU 38 -15.338 -0.233 6.137
287 HB2 LEU 38 2HB LEU 38 -17.142 2.010 6.138
288 HB3 LEU 38 1HB LEU 38 -18.050 0.566 6.574
289 HG LEU 38 HG LEU 38 -16.607 0.103 8.426
290 HD11 LEU 38 1HD1 LEU 38 -14.400 0.502 8.115
291 HD12 LEU 38 2HD1 LEU 38 -14.743 2.149 8.644
292 HD13 LEU 38 3HD1 LEU 38 -14.705 1.769 6.923
293 HD21 LEU 38 3HD2 LEU 38 -16.954 3.114 8.373
294 HD22 LEU 38 1HD2 LEU 38 -16.912 2.072 9.794
295 HD23 LEU 38 2HD2 LEU 38 -18.273 1.982 8.676
296 H PHE 39 H PHE 39 -16.712 -2.124 6.566
297 HA PHE 39 HA PHE 39 -17.263 -4.141 5.297
298 HB2 PHE 39 2HB PHE 39 -19.207 -2.777 6.715
299 HB3 PHE 39 1HB PHE 39 -19.996 -3.045 5.162
300 HD1 PHE 39 1HD PHE 39 -19.835 -5.446 4.163
301 HD2 PHE 39 2HD PHE 39 -19.097 -4.511 8.289
302 HE1 PHE 39 1HE PHE 39 -20.212 -7.821 4.768
303 HE2 PHE 39 2HE PHE 39 -19.475 -6.884 8.897
304 HZ PHE 39 HZ PHE 39 -20.033 -8.540 7.136
305 H THR 40 H THR 40 -16.169 -3.636 3.258
306 HA THR 40 HA THR 40 -18.038 -3.597 1.019
307 HB THR 40 HB THR 40 -16.181 -1.262 1.543
308 HG1 THR 40 1HG THR 40 -18.798 -0.957 0.722
309 HG21 THR 40 3HG2 THR 40 -16.138 -2.172 -0.873
310 HG22 THR 40 1HG2 THR 40 -16.536 -0.468 -0.663
311 HG23 THR 40 2HG2 THR 40 -17.816 -1.640 -0.967
312 H GLY 41 H GLY 41 -17.034 -4.471 -0.845
313 HA2 GLY 41 2HA GLY 41 -14.740 -6.099 -0.459
314 HA3 GLY 41 1HA GLY 41 -15.411 -5.679 -2.035
315 H GLU 42 H GLU 42 -12.561 -5.883 -1.061
316 HA GLU 42 HA GLU 42 -11.725 -3.178 -2.117
317 HB2 GLU 42 2HB GLU 42 -11.682 -3.272 0.456
318 HB3 GLU 42 1HB GLU 42 -10.358 -4.421 0.273
319 HG2 GLU 42 2HG GLU 42 -9.619 -2.372 -1.448
320 HG3 GLU 42 1HG GLU 42 -10.374 -1.497 -0.120
321 H CYS 43 H CYS 43 -9.526 -3.240 -2.998
322 HA CYS 43 HA CYS 43 -7.763 -4.250 -4.157
323 HB2 CYS 43 2HB CYS 43 -6.642 -5.676 -2.809
324 HB3 CYS 43 1HB CYS 43 -8.059 -5.757 -1.769
325 HXT CYS 43 2HT CYS 43 -9.931 -7.044 -3.827
Start of MODEL 3
1 H1 CYS 1 1H CYS 1 5.590 -9.921 -0.723
2 H2 CYS 1 2H CYS 1 4.360 -10.868 -0.076
3 H3 CYS 1 3H CYS 1 4.527 -10.730 -1.743
4 HA CYS 1 HA CYS 1 3.980 -8.383 -1.642
5 HB2 CYS 1 2HB CYS 1 1.624 -8.662 -1.133
6 HB3 CYS 1 1HB CYS 1 2.183 -10.143 -1.896
7 H GLY 2 H GLY 2 4.161 -6.546 -0.353
8 HA2 GLY 2 2HA GLY 2 4.810 -6.822 2.462
9 HA3 GLY 2 1HA GLY 2 4.511 -5.298 1.619
10 H SER 3 H SER 3 3.438 -6.613 4.223
11 HA SER 3 HA SER 3 0.515 -6.493 3.638
12 HB2 SER 3 2HB SER 3 1.171 -8.436 4.928
13 HB3 SER 3 1HB SER 3 2.099 -7.438 6.044
14 HG SER 3 HG SER 3 0.319 -7.253 7.125
15 H LYS 4 H LYS 4 0.324 -5.788 6.681
16 HA LYS 4 HA LYS 4 -0.090 -2.974 6.336
17 HB2 LYS 4 2HB LYS 4 -0.908 -4.657 8.220
18 HB3 LYS 4 1HB LYS 4 0.567 -4.149 9.033
19 HG2 LYS 4 2HG LYS 4 -1.317 -2.068 7.935
20 HG3 LYS 4 1HG LYS 4 -1.668 -2.834 9.482
21 HD2 LYS 4 2HD LYS 4 0.598 -2.188 10.284
22 HD3 LYS 4 1HD LYS 4 0.872 -1.359 8.750
23 HE2 LYS 4 2HE LYS 4 -1.039 0.125 9.198
24 HE3 LYS 4 1HE LYS 4 -1.323 -0.700 10.730
25 HZ1 LYS 4 3HZ LYS 4 -0.045 1.298 11.078
26 HZ2 LYS 4 1HZ LYS 4 1.137 0.785 9.976
27 HZ3 LYS 4 2HZ LYS 4 0.910 -0.060 11.434
28 H ARG 5 H ARG 5 1.420 -1.344 6.316
29 HA ARG 5 HA ARG 5 3.558 -0.440 6.180
30 HB2 ARG 5 2HB ARG 5 4.730 -0.333 8.355
31 HB3 ARG 5 1HB ARG 5 3.018 0.041 8.514
32 HG2 ARG 5 2HG ARG 5 2.603 -2.282 9.293
33 HG3 ARG 5 1HG ARG 5 4.319 -2.621 9.163
34 HD2 ARG 5 2HD ARG 5 4.863 -1.076 10.876
35 HD3 ARG 5 1HD ARG 5 3.255 -0.350 10.833
36 HE ARG 5 HE ARG 5 2.431 -2.184 12.112
37 HH11 ARG 5 1HH2 ARG 5 5.684 -2.613 11.044
38 HH12 ARG 5 2HH2 ARG 5 5.963 -3.999 12.045
39 HH21 ARG 5 2HH1 ARG 5 2.780 -3.982 13.415
40 HH22 ARG 5 1HH1 ARG 5 4.320 -4.774 13.386
41 H ALA 6 H ALA 6 4.443 -1.682 4.617
42 HA ALA 6 HA ALA 6 6.728 -3.305 5.373
43 HB1 ALA 6 1HB ALA 6 5.233 -5.095 5.758
44 HB2 ALA 6 2HB ALA 6 5.795 -5.373 4.110
45 HB3 ALA 6 3HB ALA 6 4.211 -4.649 4.394
46 H TRP 7 H TRP 7 8.148 -3.402 3.736
47 HA TRP 7 HA TRP 7 8.133 -1.636 1.632
48 HB2 TRP 7 2HB TRP 7 10.228 -2.480 1.947
49 HB3 TRP 7 1HB TRP 7 9.640 -4.113 2.247
50 HD1 TRP 7 HD TRP 7 9.238 -1.850 -0.882
51 HE1 TRP 7 1HE TRP 7 10.047 -3.192 -2.929
52 HE3 TRP 7 3HE TRP 7 10.793 -6.123 1.428
53 HZ2 TRP 7 2HZ TRP 7 11.206 -5.744 -3.505
54 HZ3 TRP 7 3HZ TRP 7 11.744 -7.992 0.110
55 HH2 TRP 7 HH TRP 7 11.952 -7.806 -2.354
56 H CYS 8 H CYS 8 7.260 -1.483 -0.328
57 HA CYS 8 HA CYS 8 5.946 -3.910 -1.545
58 HB2 CYS 8 2HB CYS 8 4.043 -2.720 -1.695
59 HB3 CYS 8 1HB CYS 8 4.801 -1.374 -0.847
60 H LYS 9 H LYS 9 6.184 -4.010 -3.906
61 HA LYS 9 HA LYS 9 8.528 -2.459 -4.915
62 HB2 LYS 9 2HB LYS 9 8.348 -5.034 -5.055
63 HB3 LYS 9 1HB LYS 9 7.164 -4.755 -6.324
64 HG2 LYS 9 2HG LYS 9 8.925 -4.649 -7.753
65 HG3 LYS 9 1HG LYS 9 9.228 -3.057 -7.066
66 HD2 LYS 9 2HD LYS 9 10.338 -5.225 -5.417
67 HD3 LYS 9 1HD LYS 9 11.001 -5.210 -7.044
68 HE2 LYS 9 2HE LYS 9 12.428 -3.779 -5.810
69 HE3 LYS 9 1HE LYS 9 11.367 -2.680 -6.685
70 HZ1 LYS 9 3HZ LYS 9 11.715 -2.942 -3.909
71 HZ2 LYS 9 1HZ LYS 9 10.109 -3.340 -4.286
72 HZ3 LYS 9 2HZ LYS 9 10.742 -1.834 -4.753
73 H GLU 10 H GLU 10 5.109 -2.965 -5.392
74 HA GLU 10 HA GLU 10 5.005 -0.687 -7.291
75 HB2 GLU 10 2HB GLU 10 3.396 -3.177 -7.873
76 HB3 GLU 10 1HB GLU 10 3.778 -1.838 -8.953
77 HG2 GLU 10 2HG GLU 10 6.091 -2.537 -9.106
78 HG3 GLU 10 1HG GLU 10 5.844 -3.772 -7.874
79 H LYS 11 H LYS 11 2.508 -0.328 -7.798
80 HA LYS 11 HA LYS 11 1.217 0.379 -5.352
81 HB2 LYS 11 2HB LYS 11 0.769 1.421 -7.548
82 HB3 LYS 11 1HB LYS 11 0.020 -0.067 -8.096
83 HG2 LYS 11 2HG LYS 11 -1.561 0.219 -6.062
84 HG3 LYS 11 1HG LYS 11 -0.921 1.862 -5.965
85 HD2 LYS 11 2HD LYS 11 -1.553 2.207 -8.362
86 HD3 LYS 11 1HD LYS 11 -2.297 0.609 -8.355
87 HE2 LYS 11 2HE LYS 11 -3.457 1.726 -6.142
88 HE3 LYS 11 1HE LYS 11 -3.280 3.137 -7.184
89 HZ1 LYS 11 3HZ LYS 11 -5.083 2.427 -8.236
90 HZ2 LYS 11 1HZ LYS 11 -5.077 0.942 -7.418
91 HZ3 LYS 11 2HZ LYS 11 -4.162 1.132 -8.837
92 H LYS 12 H LYS 12 0.632 -2.309 -7.621
93 HA LYS 12 HA LYS 12 -1.325 -3.517 -5.797
94 HB2 LYS 12 2HB LYS 12 -1.474 -3.652 -8.327
95 HB3 LYS 12 1HB LYS 12 -0.099 -4.758 -8.272
96 HG2 LYS 12 2HG LYS 12 -1.346 -6.295 -6.832
97 HG3 LYS 12 1HG LYS 12 -2.704 -5.172 -6.776
98 HD2 LYS 12 2HD LYS 12 -3.001 -5.394 -9.211
99 HD3 LYS 12 1HD LYS 12 -1.647 -6.522 -9.278
100 HE2 LYS 12 2HE LYS 12 -2.857 -8.065 -7.773
101 HE3 LYS 12 1HE LYS 12 -4.212 -6.937 -7.708
102 HZ1 LYS 12 3HZ LYS 12 -4.085 -7.141 -10.278
103 HZ2 LYS 12 1HZ LYS 12 -4.864 -8.349 -9.376
104 HZ3 LYS 12 2HZ LYS 12 -3.282 -8.601 -9.945
105 H ASP 13 H ASP 13 2.087 -3.753 -6.404
106 HA ASP 13 HA ASP 13 2.730 -6.357 -5.676
107 HB2 ASP 13 2HB ASP 13 4.283 -4.332 -6.182
108 HB3 ASP 13 1HB ASP 13 4.230 -4.072 -4.435
109 H CYS 14 H CYS 14 1.008 -4.111 -3.750
110 HA CYS 14 HA CYS 14 1.856 -5.248 -1.202
111 HB2 CYS 14 2HB CYS 14 -0.303 -3.309 -2.052
112 HB3 CYS 14 1HB CYS 14 -0.130 -3.873 -0.411
113 H CYS 15 H CYS 15 0.843 -6.966 -0.239
114 HA CYS 15 HA CYS 15 -0.647 -8.832 -1.591
115 HB2 CYS 15 2HB CYS 15 -0.037 -8.293 1.155
116 HB3 CYS 15 1HB CYS 15 -1.725 -8.773 1.052
117 H CYS 16 H CYS 16 -2.833 -9.233 -1.975
118 HA CYS 16 HA CYS 16 -4.490 -7.108 -2.675
119 HB2 CYS 16 2HB CYS 16 -4.747 -9.994 -2.286
120 HB3 CYS 16 1HB CYS 16 -6.244 -9.145 -1.936
121 H GLY 17 H GLY 17 -5.570 -5.611 -1.475
122 HA2 GLY 17 2HA GLY 17 -7.144 -5.058 0.332
123 HA3 GLY 17 1HA GLY 17 -6.401 -6.325 1.308
124 H TYR 18 H TYR 18 -3.911 -4.876 -0.304
125 HA TYR 18 HA TYR 18 -3.546 -2.769 1.856
126 HB2 TYR 18 2HB TYR 18 -1.518 -4.776 0.841
127 HB3 TYR 18 1HB TYR 18 -1.132 -3.414 1.888
128 HD1 TYR 18 2HD TYR 18 -2.859 -6.661 1.649
129 HD2 TYR 18 1HD TYR 18 -1.809 -3.392 4.230
130 HE1 TYR 18 2HE TYR 18 -3.500 -8.015 3.623
131 HE2 TYR 18 1HE TYR 18 -2.447 -4.749 6.205
132 HH TYR 18 HH TYR 18 -3.183 -8.146 5.944
133 H ASN 19 H ASN 19 -2.595 -0.846 1.134
134 HA ASN 19 HA ASN 19 -2.233 -0.623 -1.838
135 HB2 ASN 19 2HB ASN 19 -2.215 1.947 -0.896
136 HB3 ASN 19 1HB ASN 19 -3.684 1.098 -1.369
137 HD21 ASN 19 1HD2 ASN 19 -1.995 2.487 1.312
138 HD22 ASN 19 2HD2 ASN 19 -3.085 2.004 2.516
139 H CYS 20 H CYS 20 -0.347 0.713 -2.612
140 HA CYS 20 HA CYS 20 1.995 0.217 -0.856
141 HB2 CYS 20 2HB CYS 20 2.052 -0.427 -3.286
142 HB3 CYS 20 1HB CYS 20 1.977 1.287 -3.693
143 H VAL 21 H VAL 21 2.485 1.790 0.557
144 HA VAL 21 HA VAL 21 1.800 4.613 -0.012
145 HB VAL 21 HB VAL 21 3.067 3.266 2.396
146 HG11 VAL 21 1HG1 VAL 21 3.389 5.912 1.739
147 HG12 VAL 21 2HG1 VAL 21 3.372 5.297 3.388
148 HG13 VAL 21 3HG1 VAL 21 1.905 5.974 2.684
149 HG21 VAL 21 3HG2 VAL 21 0.620 2.803 1.864
150 HG22 VAL 21 1HG2 VAL 21 0.323 4.521 2.132
151 HG23 VAL 21 2HG2 VAL 21 0.926 3.515 3.448
152 H TYR 22 H TYR 22 3.278 6.117 -0.720
153 HA TYR 22 HA TYR 22 5.995 5.097 -1.326
154 HB2 TYR 22 2HB TYR 22 4.860 6.560 -2.923
155 HB3 TYR 22 1HB TYR 22 4.739 7.829 -1.704
156 HD1 TYR 22 2HD TYR 22 7.620 5.546 -2.489
157 HD2 TYR 22 1HD TYR 22 6.101 9.567 -2.489
158 HE1 TYR 22 2HE TYR 22 9.862 6.391 -3.114
159 HE2 TYR 22 1HE TYR 22 8.345 10.410 -3.119
160 HH TYR 22 HH TYR 22 10.833 8.384 -4.220
161 H ALA 23 H ALA 23 7.703 5.255 0.014
162 HA ALA 23 HA ALA 23 7.515 7.195 2.282
163 HB1 ALA 23 1HB ALA 23 8.003 5.479 3.643
164 HB2 ALA 23 2HB ALA 23 9.487 5.153 2.749
165 HB3 ALA 23 3HB ALA 23 7.974 4.393 2.258
166 H TRP 24 H TRP 24 8.824 8.852 2.101
167 HA TRP 24 HA TRP 24 10.805 9.268 0.167
168 HB2 TRP 24 2HB TRP 24 11.579 11.123 1.646
169 HB3 TRP 24 1HB TRP 24 9.841 11.115 1.361
170 HD1 TRP 24 HD TRP 24 9.994 8.423 3.633
171 HE1 TRP 24 1HE TRP 24 9.722 9.153 6.083
172 HE3 TRP 24 3HE TRP 24 10.960 13.419 3.180
173 HZ2 TRP 24 2HZ TRP 24 9.897 11.534 7.653
174 HZ3 TRP 24 3HZ TRP 24 10.907 14.892 5.171
175 HH2 TRP 24 HH TRP 24 10.376 13.957 7.405
176 H TYR 25 H TYR 25 11.085 7.185 2.924
177 HA TYR 25 HA TYR 25 14.073 7.625 2.978
178 HB2 TYR 25 2HB TYR 25 14.070 6.044 4.875
179 HB3 TYR 25 1HB TYR 25 12.969 7.391 5.147
180 HD1 TYR 25 1HD TYR 25 13.133 3.819 4.090
181 HD2 TYR 25 2HD TYR 25 10.649 7.036 5.477
182 HE1 TYR 25 1HE TYR 25 11.269 2.224 4.454
183 HE2 TYR 25 2HE TYR 25 8.786 5.443 5.840
184 HH TYR 25 HH TYR 25 8.413 2.730 4.527
185 H ASN 26 H ASN 26 15.469 6.324 1.939
186 HA ASN 26 HA ASN 26 16.241 4.611 0.539
187 HB2 ASN 26 2HB ASN 26 14.176 2.926 1.996
188 HB3 ASN 26 1HB ASN 26 15.625 2.352 1.172
189 HD21 ASN 26 1HD2 ASN 26 14.566 2.684 4.213
190 HD22 ASN 26 2HD2 ASN 26 15.991 3.152 5.007
191 H GLN 27 H GLN 27 14.017 6.279 -0.417
192 HA GLN 27 HA GLN 27 12.108 6.149 -1.868
193 HB2 GLN 27 2HB GLN 27 14.648 5.466 -3.053
194 HB3 GLN 27 1HB GLN 27 13.383 4.553 -3.871
195 HG2 GLN 27 2HG GLN 27 13.481 6.593 -5.065
196 HG3 GLN 27 1HG GLN 27 12.103 6.804 -3.989
197 HE21 GLN 27 1HE2 GLN 27 13.029 7.655 -1.625
198 HE22 GLN 27 2HE2 GLN 27 14.050 9.000 -1.762
199 H GLN 28 H GLN 28 11.809 4.267 0.103
200 HA GLN 28 HA GLN 28 10.915 1.782 -1.305
201 HB2 GLN 28 2HB GLN 28 12.581 1.456 0.485
202 HB3 GLN 28 1HB GLN 28 11.544 2.317 1.619
203 HG2 GLN 28 2HG GLN 28 10.286 0.029 0.194
204 HG3 GLN 28 1HG GLN 28 11.539 -0.381 1.366
205 HE21 GLN 28 1HE2 GLN 28 10.555 -0.872 3.323
206 HE22 GLN 28 2HE2 GLN 28 9.267 -0.090 4.012
207 H SER 29 H SER 29 8.820 0.861 -0.422
208 HA SER 29 HA SER 29 7.006 3.040 0.560
209 HB2 SER 29 2HB SER 29 6.574 0.965 -1.584
210 HB3 SER 29 1HB SER 29 5.222 1.730 -0.758
211 HG SER 29 HG SER 29 5.571 3.463 -1.891
212 H SER 30 H SER 30 5.373 2.400 2.013
213 HA SER 30 HA SER 30 5.761 -0.271 3.207
214 HB2 SER 30 2HB SER 30 5.370 0.632 5.285
215 HB3 SER 30 1HB SER 30 5.970 2.080 4.485
216 HG SER 30 HG SER 30 3.595 1.676 5.572
217 H CYS 31 H CYS 31 4.163 -1.714 2.667
218 HA CYS 31 HA CYS 31 1.694 -0.902 1.439
219 HB2 CYS 31 2HB CYS 31 2.530 -3.503 2.735
220 HB3 CYS 31 1HB CYS 31 1.004 -3.294 1.890
221 H GLU 32 H GLU 32 -0.226 -0.251 2.408
222 HA GLU 32 HA GLU 32 -0.688 -1.013 5.243
223 HB2 GLU 32 2HB GLU 32 -0.644 1.861 4.271
224 HB3 GLU 32 1HB GLU 32 -1.183 1.338 5.868
225 HG2 GLU 32 2HG GLU 32 1.052 0.367 6.292
226 HG3 GLU 32 1HG GLU 32 1.584 0.930 4.715
227 H ARG 33 H ARG 33 -2.802 -1.370 5.656
228 HA ARG 33 HA ARG 33 -4.749 -1.222 3.494
229 HB2 ARG 33 2HB ARG 33 -4.993 -3.064 4.959
230 HB3 ARG 33 1HB ARG 33 -4.848 -2.055 6.394
231 HG2 ARG 33 2HG ARG 33 -7.102 -1.320 4.608
232 HG3 ARG 33 1HG ARG 33 -7.240 -2.920 5.329
233 HD2 ARG 33 2HD ARG 33 -6.360 -0.986 7.316
234 HD3 ARG 33 1HD ARG 33 -7.863 -0.468 6.563
235 HE ARG 33 HE ARG 33 -8.710 -2.835 7.148
236 HH11 ARG 33 1HH2 ARG 33 -6.192 -1.208 8.893
237 HH12 ARG 33 2HH2 ARG 33 -6.492 -2.066 10.365
238 HH21 ARG 33 2HH1 ARG 33 -9.097 -3.942 9.085
239 HH22 ARG 33 1HH1 ARG 33 -8.120 -3.599 10.474
240 H LYS 34 H LYS 34 -5.520 0.872 2.960
241 HA LYS 34 HA LYS 34 -7.237 2.235 4.704
242 HB2 LYS 34 2HB LYS 34 -5.736 4.309 5.031
243 HB3 LYS 34 1HB LYS 34 -5.485 2.920 6.079
244 HG2 LYS 34 2HG LYS 34 -3.560 2.216 4.881
245 HG3 LYS 34 1HG LYS 34 -3.936 3.263 3.513
246 HD2 LYS 34 2HD LYS 34 -2.153 4.314 4.766
247 HD3 LYS 34 1HD LYS 34 -3.625 5.246 5.038
248 HE2 LYS 34 2HE LYS 34 -3.560 3.208 7.030
249 HE3 LYS 34 1HE LYS 34 -1.958 3.939 6.983
250 HZ1 LYS 34 3HZ LYS 34 -2.782 6.007 7.491
251 HZ2 LYS 34 1HZ LYS 34 -3.800 5.011 8.413
252 HZ3 LYS 34 2HZ LYS 34 -4.348 5.652 6.937
253 H TRP 35 H TRP 35 -7.260 1.590 1.943
254 HA TRP 35 HA TRP 35 -7.285 4.340 0.739
255 HB2 TRP 35 2HB TRP 35 -6.374 1.714 -0.373
256 HB3 TRP 35 1HB TRP 35 -7.156 2.844 -1.475
257 HD1 TRP 35 HD TRP 35 -4.621 3.392 1.395
258 HE1 TRP 35 1HE TRP 35 -2.678 4.822 0.503
259 HE3 TRP 35 3HE TRP 35 -6.080 3.922 -3.475
260 HZ2 TRP 35 2HZ TRP 35 -1.845 6.028 -1.944
261 HZ3 TRP 35 3HZ TRP 35 -4.685 5.222 -5.062
262 HH2 TRP 35 HH TRP 35 -2.572 6.273 -4.303
263 H LYS 36 H LYS 36 -8.754 3.711 -1.552
264 HA LYS 36 HA LYS 36 -11.430 3.763 -0.552
265 HB2 LYS 36 2HB LYS 36 -10.655 4.648 -2.793
266 HB3 LYS 36 1HB LYS 36 -10.582 2.978 -3.353
267 HG2 LYS 36 2HG LYS 36 -12.975 2.688 -2.822
268 HG3 LYS 36 1HG LYS 36 -13.053 4.357 -2.260
269 HD2 LYS 36 2HD LYS 36 -12.400 5.144 -4.512
270 HD3 LYS 36 1HD LYS 36 -12.343 3.472 -5.075
271 HE2 LYS 36 2HE LYS 36 -14.497 4.058 -5.723
272 HE3 LYS 36 1HE LYS 36 -14.816 3.408 -4.114
273 HZ1 LYS 36 3HZ LYS 36 -14.731 5.636 -3.216
274 HZ2 LYS 36 1HZ LYS 36 -15.884 5.561 -4.457
275 HZ3 LYS 36 2HZ LYS 36 -14.370 6.277 -4.746
276 H TYR 37 H TYR 37 -10.946 1.734 0.887
277 HA TYR 37 HA TYR 37 -11.729 -0.723 -0.723
278 HB2 TYR 37 2HB TYR 37 -9.816 -0.294 1.506
279 HB3 TYR 37 1HB TYR 37 -10.808 -1.747 1.629
280 HD1 TYR 37 1HD TYR 37 -8.615 0.134 -0.753
281 HD2 TYR 37 2HD TYR 37 -10.281 -3.658 0.381
282 HE1 TYR 37 1HE TYR 37 -7.189 -0.997 -2.439
283 HE2 TYR 37 2HE TYR 37 -8.856 -4.790 -1.300
284 HH TYR 37 HH TYR 37 -7.117 -3.049 -3.704
285 H LEU 38 H LEU 38 -13.707 1.083 0.039
286 HA LEU 38 HA LEU 38 -14.871 0.556 2.565
287 HB2 LEU 38 2HB LEU 38 -15.554 2.457 1.119
288 HB3 LEU 38 1HB LEU 38 -16.251 1.317 -0.028
289 HG LEU 38 HG LEU 38 -17.744 0.479 1.824
290 HD11 LEU 38 1HD1 LEU 38 -16.347 2.731 3.266
291 HD12 LEU 38 2HD1 LEU 38 -16.674 1.093 3.832
292 HD13 LEU 38 3HD1 LEU 38 -17.986 2.264 3.714
293 HD21 LEU 38 3HD2 LEU 38 -18.512 2.133 0.147
294 HD22 LEU 38 1HD2 LEU 38 -17.941 3.438 1.185
295 HD23 LEU 38 2HD2 LEU 38 -19.269 2.407 1.717
296 H PHE 39 H PHE 39 -15.277 -0.949 -0.613
297 HA PHE 39 HA PHE 39 -15.757 -3.564 0.361
298 HB2 PHE 39 2HB PHE 39 -17.970 -2.018 0.906
299 HB3 PHE 39 1HB PHE 39 -18.385 -2.643 -0.683
300 HD1 PHE 39 1HD PHE 39 -16.971 -3.809 2.589
301 HD2 PHE 39 2HD PHE 39 -19.407 -4.749 -0.821
302 HE1 PHE 39 1HE PHE 39 -17.581 -5.977 3.625
303 HE2 PHE 39 2HE PHE 39 -20.016 -6.921 0.214
304 HZ PHE 39 HZ PHE 39 -19.102 -7.534 2.438
305 H THR 40 H THR 40 -14.157 -3.025 -1.578
306 HA THR 40 HA THR 40 -15.423 -2.828 -4.205
307 HB THR 40 HB THR 40 -13.236 -2.771 -5.088
308 HG1 THR 40 1HG THR 40 -11.703 -3.469 -3.040
309 HG21 THR 40 3HG2 THR 40 -11.961 -1.291 -3.543
310 HG22 THR 40 1HG2 THR 40 -13.097 -1.698 -2.259
311 HG23 THR 40 2HG2 THR 40 -13.656 -0.822 -3.683
312 H GLY 41 H GLY 41 -15.065 -5.344 -2.042
313 HA2 GLY 41 2HA GLY 41 -15.384 -7.664 -2.300
314 HA3 GLY 41 1HA GLY 41 -15.922 -7.320 -3.948
315 H GLU 42 H GLU 42 -13.216 -8.247 -1.970
316 HA GLU 42 HA GLU 42 -11.069 -8.972 -2.500
317 HB2 GLU 42 2HB GLU 42 -11.024 -10.648 -4.059
318 HB3 GLU 42 1HB GLU 42 -12.768 -10.423 -4.026
319 HG2 GLU 42 2HG GLU 42 -12.637 -8.962 -5.999
320 HG3 GLU 42 1HG GLU 42 -10.880 -9.095 -6.004
321 H CYS 43 H CYS 43 -9.466 -7.552 -2.751
322 HA CYS 43 HA CYS 43 -8.898 -5.231 -3.562
323 HB2 CYS 43 2HB CYS 43 -7.299 -6.356 -5.565
324 HB3 CYS 43 1HB CYS 43 -6.858 -6.166 -3.869
325 HXT CYS 43 2HT CYS 43 -8.747 -6.919 -6.445
Start of MODEL 4
1 H1 CYS 1 1H CYS 1 5.213 -10.094 -1.407
2 H2 CYS 1 2H CYS 1 3.811 -10.876 -0.905
3 H3 CYS 1 3H CYS 1 4.097 -10.633 -2.544
4 HA CYS 1 HA CYS 1 3.932 -8.248 -2.258
5 HB2 CYS 1 2HB CYS 1 1.513 -8.167 -1.743
6 HB3 CYS 1 1HB CYS 1 1.878 -9.508 -2.817
7 H GLY 2 H GLY 2 3.846 -6.458 -0.810
8 HA2 GLY 2 2HA GLY 2 4.716 -6.982 1.898
9 HA3 GLY 2 1HA GLY 2 4.233 -5.406 1.263
10 H SER 3 H SER 3 3.498 -6.984 3.801
11 HA SER 3 HA SER 3 0.527 -7.010 3.441
12 HB2 SER 3 2HB SER 3 2.265 -8.264 5.588
13 HB3 SER 3 1HB SER 3 0.507 -8.334 5.549
14 HG SER 3 HG SER 3 2.400 -9.541 3.860
15 H LYS 4 H LYS 4 0.113 -6.799 6.350
16 HA LYS 4 HA LYS 4 -0.208 -4.011 6.610
17 HB2 LYS 4 2HB LYS 4 -1.165 -5.961 8.054
18 HB3 LYS 4 1HB LYS 4 0.324 -5.813 8.984
19 HG2 LYS 4 2HG LYS 4 -1.063 -3.241 8.477
20 HG3 LYS 4 1HG LYS 4 -1.961 -4.373 9.485
21 HD2 LYS 4 2HD LYS 4 -0.042 -4.597 10.993
22 HD3 LYS 4 1HD LYS 4 0.905 -3.526 9.968
23 HE2 LYS 4 2HE LYS 4 0.080 -2.161 11.751
24 HE3 LYS 4 1HE LYS 4 -0.903 -1.769 10.340
25 HZ1 LYS 4 3HZ LYS 4 -2.202 -3.871 11.473
26 HZ2 LYS 4 1HZ LYS 4 -2.634 -2.238 11.633
27 HZ3 LYS 4 2HZ LYS 4 -1.669 -2.981 12.819
28 H ARG 5 H ARG 5 1.338 -2.479 6.686
29 HA ARG 5 HA ARG 5 3.389 -1.470 6.977
30 HB2 ARG 5 2HB ARG 5 2.559 -2.336 9.436
31 HB3 ARG 5 1HB ARG 5 4.124 -3.131 9.316
32 HG2 ARG 5 2HG ARG 5 4.813 -1.104 10.157
33 HG3 ARG 5 1HG ARG 5 4.856 -0.693 8.448
34 HD2 ARG 5 2HD ARG 5 2.765 0.020 10.507
35 HD3 ARG 5 1HD ARG 5 3.619 1.077 9.400
36 HE ARG 5 HE ARG 5 2.189 -0.614 7.727
37 HH11 ARG 5 1HH2 ARG 5 1.511 1.440 10.405
38 HH12 ARG 5 2HH2 ARG 5 -0.106 1.794 9.898
39 HH21 ARG 5 2HH1 ARG 5 0.071 -0.177 7.053
40 HH22 ARG 5 1HH1 ARG 5 -0.922 0.878 8.002
41 H ALA 6 H ALA 6 4.347 -2.277 5.170
42 HA ALA 6 HA ALA 6 6.700 -3.885 5.510
43 HB1 ALA 6 1HB ALA 6 4.243 -5.332 5.032
44 HB2 ALA 6 2HB ALA 6 5.868 -5.975 5.259
45 HB3 ALA 6 3HB ALA 6 5.316 -5.528 3.645
46 H TRP 7 H TRP 7 8.036 -3.151 4.000
47 HA TRP 7 HA TRP 7 7.595 -1.226 2.130
48 HB2 TRP 7 2HB TRP 7 9.837 -1.714 2.319
49 HB3 TRP 7 1HB TRP 7 9.564 -3.455 2.274
50 HD1 TRP 7 HD TRP 7 8.846 -0.563 -0.204
51 HE1 TRP 7 1HE TRP 7 9.638 -1.303 -2.537
52 HE3 TRP 7 3HE TRP 7 10.634 -5.207 0.917
53 HZ2 TRP 7 2HZ TRP 7 10.871 -3.572 -3.770
54 HZ3 TRP 7 3HZ TRP 7 11.609 -6.639 -0.854
55 HH2 TRP 7 HH TRP 7 11.729 -5.828 -3.194
56 H CYS 8 H CYS 8 6.785 -1.025 0.096
57 HA CYS 8 HA CYS 8 5.595 -3.502 -1.138
58 HB2 CYS 8 2HB CYS 8 3.769 -2.310 -1.731
59 HB3 CYS 8 1HB CYS 8 4.234 -1.215 -0.442
60 H LYS 9 H LYS 9 6.117 -3.940 -3.243
61 HA LYS 9 HA LYS 9 8.431 -2.503 -4.345
62 HB2 LYS 9 2HB LYS 9 8.104 -5.044 -4.238
63 HB3 LYS 9 1HB LYS 9 6.954 -4.845 -5.556
64 HG2 LYS 9 2HG LYS 9 8.590 -4.176 -7.073
65 HG3 LYS 9 1HG LYS 9 9.695 -3.638 -5.810
66 HD2 LYS 9 2HD LYS 9 10.723 -5.650 -5.807
67 HD3 LYS 9 1HD LYS 9 9.199 -6.465 -5.463
68 HE2 LYS 9 2HE LYS 9 10.056 -5.587 -8.230
69 HE3 LYS 9 1HE LYS 9 10.285 -7.216 -7.595
70 HZ1 LYS 9 3HZ LYS 9 7.620 -6.036 -7.401
71 HZ2 LYS 9 1HZ LYS 9 8.072 -7.653 -7.640
72 HZ3 LYS 9 2HZ LYS 9 8.142 -6.552 -8.932
73 H GLU 10 H GLU 10 5.039 -3.076 -5.114
74 HA GLU 10 HA GLU 10 5.019 -0.686 -6.833
75 HB2 GLU 10 2HB GLU 10 3.837 -3.216 -7.970
76 HB3 GLU 10 1HB GLU 10 4.233 -1.718 -8.803
77 HG2 GLU 10 2HG GLU 10 6.646 -2.164 -8.437
78 HG3 GLU 10 1HG GLU 10 6.231 -3.694 -7.662
79 H LYS 11 H LYS 11 2.717 -0.093 -7.361
80 HA LYS 11 HA LYS 11 1.070 -0.255 -5.065
81 HB2 LYS 11 2HB LYS 11 -0.086 1.326 -6.180
82 HB3 LYS 11 1HB LYS 11 1.012 1.097 -7.531
83 HG2 LYS 11 2HG LYS 11 -0.466 -0.674 -8.419
84 HG3 LYS 11 1HG LYS 11 -1.582 -0.409 -7.084
85 HD2 LYS 11 2HD LYS 11 -2.431 1.494 -8.007
86 HD3 LYS 11 1HD LYS 11 -0.848 2.056 -8.548
87 HE2 LYS 11 2HE LYS 11 -2.555 1.404 -10.372
88 HE3 LYS 11 1HE LYS 11 -0.928 0.734 -10.509
89 HZ1 LYS 11 3HZ LYS 11 -3.429 -0.593 -9.823
90 HZ2 LYS 11 1HZ LYS 11 -2.039 -1.116 -9.004
91 HZ3 LYS 11 2HZ LYS 11 -2.094 -1.172 -10.701
92 H LYS 12 H LYS 12 1.291 -2.340 -7.907
93 HA LYS 12 HA LYS 12 -1.042 -3.897 -7.039
94 HB2 LYS 12 2HB LYS 12 0.100 -5.403 -8.982
95 HB3 LYS 12 1HB LYS 12 -1.054 -4.127 -9.311
96 HG2 LYS 12 2HG LYS 12 1.808 -3.305 -9.090
97 HG3 LYS 12 1HG LYS 12 1.394 -4.295 -10.481
98 HD2 LYS 12 2HD LYS 12 -0.665 -2.416 -10.428
99 HD3 LYS 12 1HD LYS 12 0.752 -1.485 -9.950
100 HE2 LYS 12 2HE LYS 12 0.567 -1.431 -12.366
101 HE3 LYS 12 1HE LYS 12 1.969 -2.406 -11.924
102 HZ1 LYS 12 3HZ LYS 12 0.275 -3.296 -13.645
103 HZ2 LYS 12 1HZ LYS 12 -0.645 -3.699 -12.279
104 HZ3 LYS 12 2HZ LYS 12 0.913 -4.348 -12.474
105 H ASP 13 H ASP 13 2.188 -3.730 -6.124
106 HA ASP 13 HA ASP 13 2.476 -6.643 -5.732
107 HB2 ASP 13 2HB ASP 13 4.256 -4.383 -5.936
108 HB3 ASP 13 1HB ASP 13 4.635 -5.327 -4.501
109 H CYS 14 H CYS 14 0.799 -4.394 -3.993
110 HA CYS 14 HA CYS 14 1.811 -5.220 -1.360
111 HB2 CYS 14 2HB CYS 14 -0.312 -3.323 -2.346
112 HB3 CYS 14 1HB CYS 14 -0.294 -3.844 -0.679
113 H CYS 15 H CYS 15 0.691 -6.707 -0.044
114 HA CYS 15 HA CYS 15 -0.758 -8.754 -1.249
115 HB2 CYS 15 2HB CYS 15 -0.886 -7.778 1.615
116 HB3 CYS 15 1HB CYS 15 -1.395 -9.346 1.048
117 H CYS 16 H CYS 16 -2.993 -9.162 -1.423
118 HA CYS 16 HA CYS 16 -4.652 -7.028 -2.081
119 HB2 CYS 16 2HB CYS 16 -5.016 -9.892 -1.426
120 HB3 CYS 16 1HB CYS 16 -6.453 -8.893 -1.343
121 H GLY 17 H GLY 17 -5.417 -5.421 -0.831
122 HA2 GLY 17 2HA GLY 17 -7.014 -4.913 1.049
123 HA3 GLY 17 1HA GLY 17 -6.057 -6.013 2.039
124 H TYR 18 H TYR 18 -3.661 -4.771 0.362
125 HA TYR 18 HA TYR 18 -3.437 -2.264 2.084
126 HB2 TYR 18 2HB TYR 18 -1.168 -4.103 1.307
127 HB3 TYR 18 1HB TYR 18 -1.124 -2.773 2.460
128 HD1 TYR 18 2HD TYR 18 -2.269 -6.211 1.844
129 HD2 TYR 18 1HD TYR 18 -2.028 -3.026 4.710
130 HE1 TYR 18 2HE TYR 18 -2.848 -7.801 3.647
131 HE2 TYR 18 1HE TYR 18 -2.606 -4.619 6.523
132 HH TYR 18 HH TYR 18 -2.817 -8.082 5.923
133 H ASN 19 H ASN 19 -2.468 -0.470 1.022
134 HA ASN 19 HA ASN 19 -2.014 -0.832 -1.923
135 HB2 ASN 19 2HB ASN 19 -2.278 1.753 -1.877
136 HB3 ASN 19 1HB ASN 19 -3.728 0.765 -1.688
137 HD21 ASN 19 1HD2 ASN 19 -1.454 2.867 0.035
138 HD22 ASN 19 2HD2 ASN 19 -2.388 3.015 1.443
139 H CYS 20 H CYS 20 -0.360 0.996 -2.742
140 HA CYS 20 HA CYS 20 2.091 0.594 -1.160
141 HB2 CYS 20 2HB CYS 20 1.417 1.384 -3.935
142 HB3 CYS 20 1HB CYS 20 2.913 1.982 -3.298
143 H VAL 21 H VAL 21 3.117 2.184 -0.063
144 HA VAL 21 HA VAL 21 2.091 4.988 -0.312
145 HB VAL 21 HB VAL 21 3.017 3.506 2.172
146 HG11 VAL 21 1HG1 VAL 21 2.006 5.912 3.024
147 HG12 VAL 21 2HG1 VAL 21 2.791 6.387 1.520
148 HG13 VAL 21 3HG1 VAL 21 3.723 5.591 2.786
149 HG21 VAL 21 3HG2 VAL 21 0.351 4.500 1.157
150 HG22 VAL 21 1HG2 VAL 21 0.632 4.257 2.880
151 HG23 VAL 21 2HG2 VAL 21 0.767 2.899 1.766
152 H TYR 22 H TYR 22 3.730 5.826 -1.623
153 HA TYR 22 HA TYR 22 6.491 4.941 -1.307
154 HB2 TYR 22 2HB TYR 22 5.377 6.157 -3.313
155 HB3 TYR 22 1HB TYR 22 5.712 7.635 -2.410
156 HD1 TYR 22 1HD TYR 22 7.245 4.658 -3.999
157 HD2 TYR 22 2HD TYR 22 7.952 8.480 -2.169
158 HE1 TYR 22 1HE TYR 22 9.599 4.586 -4.766
159 HE2 TYR 22 2HE TYR 22 10.311 8.406 -2.937
160 HH TYR 22 HH TYR 22 11.985 6.441 -3.562
161 H ALA 23 H ALA 23 7.941 5.510 0.245
162 HA ALA 23 HA ALA 23 7.175 7.635 2.152
163 HB1 ALA 23 1HB ALA 23 8.314 5.259 2.629
164 HB2 ALA 23 2HB ALA 23 8.660 6.664 3.634
165 HB3 ALA 23 3HB ALA 23 9.786 6.192 2.367
166 H TRP 24 H TRP 24 7.571 9.622 1.203
167 HA TRP 24 HA TRP 24 9.588 10.264 -0.627
168 HB2 TRP 24 2HB TRP 24 9.434 12.588 0.830
169 HB3 TRP 24 1HB TRP 24 8.280 12.119 -0.418
170 HD1 TRP 24 HD TRP 24 8.717 11.030 3.266
171 HE1 TRP 24 1HE TRP 24 6.423 11.191 4.425
172 HE3 TRP 24 3HE TRP 24 5.902 12.788 -0.609
173 HZ2 TRP 24 2HZ TRP 24 3.744 11.961 3.790
174 HZ3 TRP 24 3HZ TRP 24 3.481 13.223 -0.307
175 HH2 TRP 24 HH TRP 24 2.399 12.812 1.886
176 H TYR 25 H TYR 25 9.798 9.716 2.857
177 HA TYR 25 HA TYR 25 12.687 10.602 2.762
178 HB2 TYR 25 2HB TYR 25 12.464 9.975 5.315
179 HB3 TYR 25 1HB TYR 25 11.822 11.497 4.720
180 HD1 TYR 25 1HD TYR 25 10.625 7.919 4.925
181 HD2 TYR 25 2HD TYR 25 9.751 12.076 5.574
182 HE1 TYR 25 1HE TYR 25 8.400 7.307 5.825
183 HE2 TYR 25 2HE TYR 25 7.521 11.465 6.469
184 HH TYR 25 HH TYR 25 6.298 8.187 6.298
185 H ASN 26 H ASN 26 14.377 9.115 3.340
186 HA ASN 26 HA ASN 26 15.403 7.018 3.129
187 HB2 ASN 26 2HB ASN 26 14.815 5.537 4.786
188 HB3 ASN 26 1HB ASN 26 13.899 6.937 5.341
189 HD21 ASN 26 1HD2 ASN 26 11.687 6.684 5.523
190 HD22 ASN 26 2HD2 ASN 26 10.817 5.389 4.875
191 H GLN 27 H GLN 27 13.036 7.913 1.270
192 HA GLN 27 HA GLN 27 11.822 6.995 -0.534
193 HB2 GLN 27 2HB GLN 27 14.339 5.299 -0.638
194 HB3 GLN 27 1HB GLN 27 13.225 5.582 -1.978
195 HG2 GLN 27 2HG GLN 27 14.735 7.770 -0.519
196 HG3 GLN 27 1HG GLN 27 15.239 7.069 -2.057
197 HE21 GLN 27 1HE2 GLN 27 13.836 9.788 -0.976
198 HE22 GLN 27 2HE2 GLN 27 12.732 10.100 -2.228
199 H GLN 28 H GLN 28 12.208 4.162 -1.421
200 HA GLN 28 HA GLN 28 11.195 2.083 -1.033
201 HB2 GLN 28 2HB GLN 28 11.805 2.863 1.834
202 HB3 GLN 28 1HB GLN 28 11.242 1.271 1.339
203 HG2 GLN 28 2HG GLN 28 13.207 0.982 -0.087
204 HG3 GLN 28 1HG GLN 28 13.757 2.612 0.308
205 HE21 GLN 28 1HE2 GLN 28 15.045 -0.076 0.917
206 HE22 GLN 28 2HE2 GLN 28 15.277 -0.071 2.598
207 H SER 29 H SER 29 9.091 1.461 -1.009
208 HA SER 29 HA SER 29 7.091 3.361 0.092
209 HB2 SER 29 2HB SER 29 6.924 1.060 -1.860
210 HB3 SER 29 1HB SER 29 5.493 1.864 -1.224
211 HG SER 29 HG SER 29 5.976 2.973 -3.035
212 H SER 30 H SER 30 5.077 2.219 1.059
213 HA SER 30 HA SER 30 5.747 -0.239 2.506
214 HB2 SER 30 2HB SER 30 6.335 1.596 4.035
215 HB3 SER 30 1HB SER 30 4.728 2.286 3.821
216 HG SER 30 HG SER 30 4.600 -0.333 4.478
217 H CYS 31 H CYS 31 4.019 -1.645 2.481
218 HA CYS 31 HA CYS 31 1.577 -0.821 1.165
219 HB2 CYS 31 2HB CYS 31 2.261 -3.358 2.668
220 HB3 CYS 31 1HB CYS 31 0.790 -3.118 1.741
221 H GLU 32 H GLU 32 -0.284 -0.051 2.090
222 HA GLU 32 HA GLU 32 -0.799 -0.592 4.938
223 HB2 GLU 32 2HB GLU 32 -0.365 1.473 5.757
224 HB3 GLU 32 1HB GLU 32 0.545 1.743 4.274
225 HG2 GLU 32 2HG GLU 32 -1.439 2.679 3.197
226 HG3 GLU 32 1HG GLU 32 -2.402 2.346 4.639
227 H ARG 33 H ARG 33 -2.910 -0.954 5.218
228 HA ARG 33 HA ARG 33 -4.798 -0.780 3.063
229 HB2 ARG 33 2HB ARG 33 -5.365 -2.412 4.617
230 HB3 ARG 33 1HB ARG 33 -4.914 -1.412 5.993
231 HG2 ARG 33 2HG ARG 33 -7.261 -0.656 4.253
232 HG3 ARG 33 1HG ARG 33 -7.447 -1.844 5.540
233 HD2 ARG 33 2HD ARG 33 -6.006 0.419 6.585
234 HD3 ARG 33 1HD ARG 33 -7.457 0.994 5.779
235 HE ARG 33 HE ARG 33 -8.746 -0.602 7.240
236 HH11 ARG 33 1HH2 ARG 33 -5.506 0.292 8.082
237 HH12 ARG 33 2HH2 ARG 33 -5.739 0.014 9.773
238 HH21 ARG 33 2HH1 ARG 33 -9.053 -0.943 9.444
239 HH22 ARG 33 1HH1 ARG 33 -7.740 -0.681 10.544
240 H LYS 34 H LYS 34 -6.500 0.726 2.737
241 HA LYS 34 HA LYS 34 -6.399 3.191 4.344
242 HB2 LYS 34 2HB LYS 34 -6.584 2.900 1.367
243 HB3 LYS 34 1HB LYS 34 -7.097 4.372 2.186
244 HG2 LYS 34 2HG LYS 34 -4.848 4.627 3.153
245 HG3 LYS 34 1HG LYS 34 -4.337 3.137 2.355
246 HD2 LYS 34 2HD LYS 34 -4.881 4.131 0.153
247 HD3 LYS 34 1HD LYS 34 -5.348 5.627 0.962
248 HE2 LYS 34 2HE LYS 34 -3.202 6.278 1.278
249 HE3 LYS 34 1HE LYS 34 -2.661 4.653 1.704
250 HZ1 LYS 34 3HZ LYS 34 -3.235 5.648 -1.039
251 HZ2 LYS 34 1HZ LYS 34 -2.759 4.068 -0.649
252 HZ3 LYS 34 2HZ LYS 34 -1.695 5.364 -0.381
253 H TRP 35 H TRP 35 -8.506 2.967 1.679
254 HA TRP 35 HA TRP 35 -10.832 2.547 3.516
255 HB2 TRP 35 2HB TRP 35 -10.966 4.064 0.928
256 HB3 TRP 35 1HB TRP 35 -12.071 4.128 2.292
257 HD1 TRP 35 HD TRP 35 -9.993 4.435 4.615
258 HE1 TRP 35 1HE TRP 35 -8.723 6.651 4.939
259 HE3 TRP 35 3HE TRP 35 -10.441 6.424 -0.071
260 HZ2 TRP 35 2HZ TRP 35 -7.990 8.956 3.424
261 HZ3 TRP 35 3HZ TRP 35 -9.451 8.634 -0.599
262 HH2 TRP 35 HH TRP 35 -8.224 9.901 1.141
263 H LYS 36 H LYS 36 -12.693 1.543 2.535
264 HA LYS 36 HA LYS 36 -12.014 -0.791 1.020
265 HB2 LYS 36 2HB LYS 36 -14.086 -0.195 2.633
266 HB3 LYS 36 1HB LYS 36 -14.864 0.082 1.074
267 HG2 LYS 36 2HG LYS 36 -14.237 -2.168 0.330
268 HG3 LYS 36 1HG LYS 36 -13.366 -2.441 1.841
269 HD2 LYS 36 2HD LYS 36 -15.679 -1.831 2.951
270 HD3 LYS 36 1HD LYS 36 -16.328 -2.271 1.372
271 HE2 LYS 36 2HE LYS 36 -16.334 -4.390 2.198
272 HE3 LYS 36 1HE LYS 36 -14.600 -4.364 1.874
273 HZ1 LYS 36 3HZ LYS 36 -15.640 -4.834 4.273
274 HZ2 LYS 36 1HZ LYS 36 -15.451 -3.151 4.373
275 HZ3 LYS 36 2HZ LYS 36 -14.108 -4.138 4.043
276 H TYR 37 H TYR 37 -12.534 2.405 0.028
277 HA TYR 37 HA TYR 37 -13.928 1.842 -2.475
278 HB2 TYR 37 2HB TYR 37 -11.943 4.082 -2.241
279 HB3 TYR 37 1HB TYR 37 -13.526 4.078 -3.016
280 HD1 TYR 37 2HD TYR 37 -15.073 2.752 -0.710
281 HD2 TYR 37 1HD TYR 37 -12.227 5.961 -0.824
282 HE1 TYR 37 2HE TYR 37 -16.037 3.680 1.377
283 HE2 TYR 37 1HE TYR 37 -13.179 6.889 1.270
284 HH TYR 37 HH TYR 37 -14.501 6.337 3.081
285 H LEU 38 H LEU 38 -10.878 0.976 -1.407
286 HA LEU 38 HA LEU 38 -9.340 1.274 -3.754
287 HB2 LEU 38 2HB LEU 38 -8.310 0.746 -1.581
288 HB3 LEU 38 1HB LEU 38 -9.105 -0.825 -1.581
289 HG LEU 38 HG LEU 38 -7.812 -1.575 -3.469
290 HD11 LEU 38 1HD1 LEU 38 -6.846 1.301 -3.616
291 HD12 LEU 38 2HD1 LEU 38 -7.770 0.427 -4.838
292 HD13 LEU 38 3HD1 LEU 38 -6.105 -0.029 -4.505
293 HD21 LEU 38 3HD2 LEU 38 -6.640 -1.694 -1.327
294 HD22 LEU 38 1HD2 LEU 38 -6.103 -0.024 -1.494
295 HD23 LEU 38 2HD2 LEU 38 -5.479 -1.263 -2.584
296 H PHE 39 H PHE 39 -11.627 -1.160 -2.696
297 HA PHE 39 HA PHE 39 -11.217 -3.231 -4.553
298 HB2 PHE 39 2HB PHE 39 -13.241 -2.441 -2.720
299 HB3 PHE 39 1HB PHE 39 -14.057 -2.660 -4.265
300 HD1 PHE 39 1HD PHE 39 -11.185 -4.399 -2.563
301 HD2 PHE 39 2HD PHE 39 -15.059 -4.769 -4.388
302 HE1 PHE 39 1HE PHE 39 -11.094 -6.857 -2.260
303 HE2 PHE 39 2HE PHE 39 -14.965 -7.228 -4.082
304 HZ PHE 39 HZ PHE 39 -12.984 -8.272 -3.017
305 H THR 40 H THR 40 -13.500 -3.353 -6.223
306 HA THR 40 HA THR 40 -14.513 -2.366 -8.138
307 HB THR 40 HB THR 40 -12.599 -0.041 -7.993
308 HG1 THR 40 1HG THR 40 -14.199 -0.757 -6.045
309 HG21 THR 40 3HG2 THR 40 -14.378 -0.606 -9.866
310 HG22 THR 40 1HG2 THR 40 -14.162 1.053 -9.308
311 HG23 THR 40 2HG2 THR 40 -15.505 0.085 -8.700
312 H GLY 41 H GLY 41 -12.021 -4.040 -7.875
313 HA2 GLY 41 2HA GLY 41 -11.014 -5.126 -9.822
314 HA3 GLY 41 1HA GLY 41 -11.027 -3.572 -10.654
315 H GLU 42 H GLU 42 -10.078 -2.886 -7.566
316 HA GLU 42 HA GLU 42 -7.188 -3.367 -8.193
317 HB2 GLU 42 2HB GLU 42 -8.250 -0.910 -8.357
318 HB3 GLU 42 1HB GLU 42 -7.968 -0.950 -6.620
319 HG2 GLU 42 2HG GLU 42 -5.931 -1.288 -8.834
320 HG3 GLU 42 1HG GLU 42 -5.978 -0.040 -7.589
321 H CYS 43 H CYS 43 -6.296 -4.621 -6.634
322 HA CYS 43 HA CYS 43 -7.656 -5.019 -4.083
323 HB2 CYS 43 2HB CYS 43 -5.593 -6.345 -5.600
324 HB3 CYS 43 1HB CYS 43 -5.007 -6.061 -3.969
325 HXT CYS 43 2HT CYS 43 -5.298 -2.456 -4.786
Start of MODEL 5
1 H1 CYS 1 1H CYS 1 5.492 -10.235 -0.519
2 H2 CYS 1 2H CYS 1 4.070 -10.887 0.099
3 H3 CYS 1 3H CYS 1 4.396 -10.989 -1.547
4 HA CYS 1 HA CYS 1 4.244 -8.588 -1.762
5 HB2 CYS 1 2HB CYS 1 1.812 -8.408 -1.345
6 HB3 CYS 1 1HB CYS 1 2.208 -9.954 -2.092
7 H GLY 2 H GLY 2 4.145 -6.544 -0.703
8 HA2 GLY 2 2HA GLY 2 5.014 -6.473 2.029
9 HA3 GLY 2 1HA GLY 2 4.379 -5.093 1.133
10 H SER 3 H SER 3 3.787 -6.950 3.779
11 HA SER 3 HA SER 3 0.827 -6.867 3.529
12 HB2 SER 3 2HB SER 3 1.590 -8.935 4.437
13 HB3 SER 3 1HB SER 3 2.732 -8.129 5.508
14 HG SER 3 HG SER 3 1.071 -7.447 6.767
15 H LYS 4 H LYS 4 0.187 -6.451 6.242
16 HA LYS 4 HA LYS 4 -0.018 -3.688 6.470
17 HB2 LYS 4 2HB LYS 4 -0.939 -5.595 8.021
18 HB3 LYS 4 1HB LYS 4 0.549 -5.341 8.933
19 HG2 LYS 4 2HG LYS 4 -0.234 -2.769 8.680
20 HG3 LYS 4 1HG LYS 4 -1.812 -3.546 8.609
21 HD2 LYS 4 2HD LYS 4 -1.431 -4.651 10.737
22 HD3 LYS 4 1HD LYS 4 0.227 -4.056 10.791
23 HE2 LYS 4 2HE LYS 4 -1.181 -2.649 12.207
24 HE3 LYS 4 1HE LYS 4 -0.640 -1.721 10.808
25 HZ1 LYS 4 3HZ LYS 4 -2.910 -1.295 10.958
26 HZ2 LYS 4 1HZ LYS 4 -3.299 -2.907 11.312
27 HZ3 LYS 4 2HZ LYS 4 -2.804 -2.478 9.744
28 H ARG 5 H ARG 5 1.534 -2.129 6.560
29 HA ARG 5 HA ARG 5 3.615 -1.109 6.922
30 HB2 ARG 5 2HB ARG 5 3.898 -3.137 9.165
31 HB3 ARG 5 1HB ARG 5 4.690 -1.567 9.042
32 HG2 ARG 5 2HG ARG 5 1.682 -1.834 9.132
33 HG3 ARG 5 1HG ARG 5 2.649 -1.711 10.596
34 HD2 ARG 5 2HD ARG 5 3.583 0.432 9.795
35 HD3 ARG 5 1HD ARG 5 2.598 0.311 8.339
36 HE ARG 5 HE ARG 5 1.353 0.441 11.060
37 HH11 ARG 5 1HH2 ARG 5 1.657 1.471 7.768
38 HH12 ARG 5 2HH2 ARG 5 0.235 2.454 7.817
39 HH21 ARG 5 2HH1 ARG 5 -0.499 1.717 11.118
40 HH22 ARG 5 1HH1 ARG 5 -0.982 2.595 9.704
41 H ALA 6 H ALA 6 4.464 -1.980 4.918
42 HA ALA 6 HA ALA 6 6.842 -3.579 5.237
43 HB1 ALA 6 1HB ALA 6 4.570 -4.994 3.824
44 HB2 ALA 6 2HB ALA 6 5.061 -5.349 5.478
45 HB3 ALA 6 3HB ALA 6 6.181 -5.630 4.148
46 H TRP 7 H TRP 7 8.049 -3.764 3.301
47 HA TRP 7 HA TRP 7 7.909 -1.648 1.481
48 HB2 TRP 7 2HB TRP 7 9.963 -2.835 1.709
49 HB3 TRP 7 1HB TRP 7 9.211 -4.358 1.235
50 HD1 TRP 7 HD TRP 7 9.129 -0.864 -0.435
51 HE1 TRP 7 1HE TRP 7 9.798 -1.147 -2.909
52 HE3 TRP 7 3HE TRP 7 10.107 -5.874 -0.515
53 HZ2 TRP 7 2HZ TRP 7 10.634 -3.224 -4.686
54 HZ3 TRP 7 3HZ TRP 7 10.836 -6.978 -2.609
55 HH2 TRP 7 HH TRP 7 11.101 -5.661 -4.695
56 H CYS 8 H CYS 8 7.402 -1.527 -0.748
57 HA CYS 8 HA CYS 8 5.466 -3.569 -1.795
58 HB2 CYS 8 2HB CYS 8 3.939 -1.885 -1.366
59 HB3 CYS 8 1HB CYS 8 5.149 -0.620 -1.388
60 H LYS 9 H LYS 9 5.912 -4.093 -3.983
61 HA LYS 9 HA LYS 9 8.240 -2.731 -5.213
62 HB2 LYS 9 2HB LYS 9 7.602 -5.337 -5.273
63 HB3 LYS 9 1HB LYS 9 6.663 -4.828 -6.677
64 HG2 LYS 9 2HG LYS 9 9.146 -3.553 -7.015
65 HG3 LYS 9 1HG LYS 9 9.560 -5.154 -6.409
66 HD2 LYS 9 2HD LYS 9 7.702 -4.649 -8.749
67 HD3 LYS 9 1HD LYS 9 9.410 -5.034 -8.908
68 HE2 LYS 9 2HE LYS 9 9.122 -7.223 -8.134
69 HE3 LYS 9 1HE LYS 9 7.611 -6.840 -7.308
70 HZ1 LYS 9 3HZ LYS 9 7.840 -7.946 -9.786
71 HZ2 LYS 9 1HZ LYS 9 7.499 -6.317 -10.120
72 HZ3 LYS 9 2HZ LYS 9 6.442 -7.222 -9.146
73 H GLU 10 H GLU 10 4.834 -3.406 -5.902
74 HA GLU 10 HA GLU 10 4.636 -0.883 -7.449
75 HB2 GLU 10 2HB GLU 10 3.680 -3.592 -8.427
76 HB3 GLU 10 1HB GLU 10 3.260 -2.055 -9.175
77 HG2 GLU 10 2HG GLU 10 5.626 -1.592 -9.618
78 HG3 GLU 10 1HG GLU 10 6.080 -3.101 -8.828
79 H LYS 11 H LYS 11 2.106 -0.670 -7.969
80 HA LYS 11 HA LYS 11 0.811 -0.429 -5.463
81 HB2 LYS 11 2HB LYS 11 0.196 0.785 -7.580
82 HB3 LYS 11 1HB LYS 11 -0.554 -0.705 -8.152
83 HG2 LYS 11 2HG LYS 11 -2.120 -0.697 -6.301
84 HG3 LYS 11 1HG LYS 11 -1.298 0.676 -5.559
85 HD2 LYS 11 2HD LYS 11 -1.835 2.050 -7.561
86 HD3 LYS 11 1HD LYS 11 -2.722 0.684 -8.236
87 HE2 LYS 11 2HE LYS 11 -4.548 1.183 -6.998
88 HE3 LYS 11 1HE LYS 11 -3.592 1.219 -5.514
89 HZ1 LYS 11 3HZ LYS 11 -2.978 3.463 -5.928
90 HZ2 LYS 11 1HZ LYS 11 -4.663 3.367 -6.101
91 HZ3 LYS 11 2HZ LYS 11 -3.672 3.443 -7.480
92 H LYS 12 H LYS 12 0.463 -2.952 -7.968
93 HA LYS 12 HA LYS 12 -1.444 -4.509 -6.441
94 HB2 LYS 12 2HB LYS 12 -0.970 -4.603 -8.980
95 HB3 LYS 12 1HB LYS 12 0.400 -5.628 -8.554
96 HG2 LYS 12 2HG LYS 12 -1.605 -6.788 -7.078
97 HG3 LYS 12 1HG LYS 12 -2.506 -6.229 -8.482
98 HD2 LYS 12 2HD LYS 12 0.077 -7.752 -8.826
99 HD3 LYS 12 1HD LYS 12 -1.442 -8.603 -8.561
100 HE2 LYS 12 2HE LYS 12 -0.698 -8.127 -11.011
101 HE3 LYS 12 1HE LYS 12 -2.379 -7.832 -10.569
102 HZ1 LYS 12 3HZ LYS 12 -1.868 -5.508 -10.250
103 HZ2 LYS 12 1HZ LYS 12 -1.418 -5.985 -11.813
104 HZ3 LYS 12 2HZ LYS 12 -0.231 -5.781 -10.615
105 H ASP 13 H ASP 13 2.075 -4.498 -6.711
106 HA ASP 13 HA ASP 13 2.718 -6.978 -5.610
107 HB2 ASP 13 2HB ASP 13 4.237 -4.999 -6.453
108 HB3 ASP 13 1HB ASP 13 4.291 -4.586 -4.737
109 H CYS 14 H CYS 14 0.912 -4.611 -3.958
110 HA CYS 14 HA CYS 14 1.997 -5.293 -1.324
111 HB2 CYS 14 2HB CYS 14 -0.198 -3.521 -2.355
112 HB3 CYS 14 1HB CYS 14 -0.140 -3.958 -0.663
113 H CYS 15 H CYS 15 0.889 -6.584 0.192
114 HA CYS 15 HA CYS 15 -0.510 -8.811 -0.725
115 HB2 CYS 15 2HB CYS 15 -0.691 -7.429 1.960
116 HB3 CYS 15 1HB CYS 15 -1.118 -9.089 1.630
117 H CYS 16 H CYS 16 -2.663 -9.163 -1.173
118 HA CYS 16 HA CYS 16 -4.376 -7.160 -1.984
119 HB2 CYS 16 2HB CYS 16 -4.589 -9.976 -1.246
120 HB3 CYS 16 1HB CYS 16 -6.069 -9.098 -0.931
121 H GLY 17 H GLY 17 -5.344 -5.523 -0.910
122 HA2 GLY 17 2HA GLY 17 -6.954 -4.892 0.873
123 HA3 GLY 17 1HA GLY 17 -6.045 -5.924 1.973
124 H TYR 18 H TYR 18 -3.629 -4.617 0.223
125 HA TYR 18 HA TYR 18 -3.536 -2.114 1.955
126 HB2 TYR 18 2HB TYR 18 -1.262 -4.007 1.314
127 HB3 TYR 18 1HB TYR 18 -1.109 -2.477 2.177
128 HD1 TYR 18 2HD TYR 18 -2.153 -2.167 4.401
129 HD2 TYR 18 1HD TYR 18 -2.181 -5.974 2.398
130 HE1 TYR 18 2HE TYR 18 -2.744 -3.286 6.531
131 HE2 TYR 18 1HE TYR 18 -2.765 -7.088 4.536
132 HH TYR 18 HH TYR 18 -3.533 -5.229 7.431
133 H ASN 19 H ASN 19 -2.662 -0.246 0.955
134 HA ASN 19 HA ASN 19 -2.310 -0.476 -2.007
135 HB2 ASN 19 2HB ASN 19 -3.995 1.148 -1.195
136 HB3 ASN 19 1HB ASN 19 -2.746 1.969 -0.259
137 HD21 ASN 19 1HD2 ASN 19 -0.956 3.011 -1.519
138 HD22 ASN 19 2HD2 ASN 19 -1.236 3.494 -3.122
139 H CYS 20 H CYS 20 -0.489 0.915 -2.953
140 HA CYS 20 HA CYS 20 1.916 0.581 -1.294
141 HB2 CYS 20 2HB CYS 20 1.346 1.161 -4.188
142 HB3 CYS 20 1HB CYS 20 2.940 1.384 -3.535
143 H VAL 21 H VAL 21 2.919 2.258 -0.289
144 HA VAL 21 HA VAL 21 2.262 5.046 -1.139
145 HB VAL 21 HB VAL 21 1.148 3.966 1.091
146 HG11 VAL 21 1HG1 VAL 21 3.530 3.648 2.002
147 HG12 VAL 21 2HG1 VAL 21 2.380 4.461 3.059
148 HG13 VAL 21 3HG1 VAL 21 3.577 5.402 2.172
149 HG21 VAL 21 3HG2 VAL 21 0.943 6.310 1.925
150 HG22 VAL 21 1HG2 VAL 21 0.613 6.171 0.199
151 HG23 VAL 21 2HG2 VAL 21 2.163 6.805 0.752
152 H TYR 22 H TYR 22 3.919 6.643 -0.460
153 HA TYR 22 HA TYR 22 6.624 5.278 -0.366
154 HB2 TYR 22 2HB TYR 22 6.047 6.895 -2.223
155 HB3 TYR 22 1HB TYR 22 5.982 8.167 -1.003
156 HD1 TYR 22 1HD TYR 22 8.196 5.539 -2.452
157 HD2 TYR 22 2HD TYR 22 7.958 9.198 -0.218
158 HE1 TYR 22 1HE TYR 22 10.662 5.774 -2.573
159 HE2 TYR 22 2HE TYR 22 10.422 9.433 -0.338
160 HH TYR 22 HH TYR 22 12.425 7.634 -0.651
161 H ALA 23 H ALA 23 7.807 5.403 1.488
162 HA ALA 23 HA ALA 23 6.820 7.148 3.679
163 HB1 ALA 23 1HB ALA 23 8.723 5.861 4.928
164 HB2 ALA 23 2HB ALA 23 8.698 4.799 3.520
165 HB3 ALA 23 3HB ALA 23 7.249 4.993 4.506
166 H TRP 24 H TRP 24 7.664 9.180 3.693
167 HA TRP 24 HA TRP 24 9.916 10.062 2.263
168 HB2 TRP 24 2HB TRP 24 9.828 12.075 3.590
169 HB3 TRP 24 1HB TRP 24 8.176 11.532 3.307
170 HD1 TRP 24 HD TRP 24 7.087 10.022 5.377
171 HE1 TRP 24 1HE TRP 24 7.341 10.389 7.917
172 HE3 TRP 24 3HE TRP 24 11.289 12.924 5.434
173 HZ2 TRP 24 2HZ TRP 24 9.093 11.737 9.731
174 HZ3 TRP 24 3HZ TRP 24 12.226 13.738 7.578
175 HH2 TRP 24 HH TRP 24 11.134 13.149 9.724
176 H TYR 25 H TYR 25 10.015 7.787 4.665
177 HA TYR 25 HA TYR 25 12.841 8.650 5.402
178 HB2 TYR 25 2HB TYR 25 12.482 7.371 7.539
179 HB3 TYR 25 1HB TYR 25 11.479 8.813 7.395
180 HD1 TYR 25 1HD TYR 25 11.498 5.116 7.259
181 HD2 TYR 25 2HD TYR 25 9.087 8.661 7.098
182 HE1 TYR 25 1HE TYR 25 9.457 3.738 7.535
183 HE2 TYR 25 2HE TYR 25 7.042 7.286 7.373
184 HH TYR 25 HH TYR 25 6.901 4.087 6.858
185 H ASN 26 H ASN 26 14.398 6.972 5.435
186 HA ASN 26 HA ASN 26 15.385 5.039 4.575
187 HB2 ASN 26 2HB ASN 26 14.639 3.215 5.686
188 HB3 ASN 26 1HB ASN 26 13.402 4.273 6.351
189 HD21 ASN 26 1HD2 ASN 26 11.261 4.261 5.277
190 HD22 ASN 26 2HD2 ASN 26 10.798 2.937 4.328
191 H GLN 27 H GLN 27 13.443 6.770 2.962
192 HA GLN 27 HA GLN 27 12.198 6.612 0.914
193 HB2 GLN 27 2HB GLN 27 14.942 5.549 0.202
194 HB3 GLN 27 1HB GLN 27 13.843 6.435 -0.856
195 HG2 GLN 27 2HG GLN 27 15.106 7.511 1.683
196 HG3 GLN 27 1HG GLN 27 15.573 7.940 0.039
197 HE21 GLN 27 1HE2 GLN 27 13.313 8.610 2.596
198 HE22 GLN 27 2HE2 GLN 27 12.373 9.743 1.749
199 H GLN 28 H GLN 28 10.978 4.588 1.889
200 HA GLN 28 HA GLN 28 11.370 2.348 -0.055
201 HB2 GLN 28 2HB GLN 28 12.233 1.586 2.091
202 HB3 GLN 28 1HB GLN 28 10.761 2.113 2.906
203 HG2 GLN 28 2HG GLN 28 9.447 0.489 1.597
204 HG3 GLN 28 1HG GLN 28 10.913 -0.025 0.760
205 HE21 GLN 28 1HE2 GLN 28 8.906 -1.014 3.169
206 HE22 GLN 28 2HE2 GLN 28 10.012 -1.827 4.167
207 H SER 29 H SER 29 9.379 1.199 -0.562
208 HA SER 29 HA SER 29 6.998 2.946 -0.348
209 HB2 SER 29 2HB SER 29 7.275 0.283 -1.771
210 HB3 SER 29 1HB SER 29 6.010 1.482 -2.004
211 HG SER 29 HG SER 29 8.514 1.340 -3.064
212 H SER 30 H SER 30 5.646 2.594 1.394
213 HA SER 30 HA SER 30 5.729 -0.033 2.700
214 HB2 SER 30 2HB SER 30 6.227 1.755 4.209
215 HB3 SER 30 1HB SER 30 4.831 2.676 3.660
216 HG SER 30 HG SER 30 4.976 0.846 5.589
217 H CYS 31 H CYS 31 4.031 -1.412 2.439
218 HA CYS 31 HA CYS 31 1.689 -0.640 0.953
219 HB2 CYS 31 2HB CYS 31 2.234 -3.076 2.673
220 HB3 CYS 31 1HB CYS 31 0.803 -2.880 1.671
221 H GLU 32 H GLU 32 0.045 0.557 1.736
222 HA GLU 32 HA GLU 32 -0.924 0.105 4.489
223 HB2 GLU 32 2HB GLU 32 -0.381 2.158 5.296
224 HB3 GLU 32 1HB GLU 32 0.766 2.229 3.962
225 HG2 GLU 32 2HG GLU 32 -0.931 3.324 2.552
226 HG3 GLU 32 1HG GLU 32 -2.089 3.236 3.884
227 H ARG 33 H ARG 33 -3.091 -0.229 4.296
228 HA ARG 33 HA ARG 33 -4.432 0.373 1.823
229 HB2 ARG 33 2HB ARG 33 -4.983 -1.494 3.558
230 HB3 ARG 33 1HB ARG 33 -5.900 -0.239 4.379
231 HG2 ARG 33 2HG ARG 33 -7.201 -1.700 2.704
232 HG3 ARG 33 1HG ARG 33 -7.386 0.045 2.544
233 HD2 ARG 33 2HD ARG 33 -6.176 0.129 0.570
234 HD3 ARG 33 1HD ARG 33 -5.204 -1.284 0.975
235 HE ARG 33 HE ARG 33 -7.610 -2.442 0.615
236 HH11 ARG 33 1HH2 ARG 33 -5.994 0.069 -1.123
237 HH12 ARG 33 2HH2 ARG 33 -6.626 -0.410 -2.661
238 HH21 ARG 33 2HH1 ARG 33 -8.418 -3.088 -1.397
239 HH22 ARG 33 1HH1 ARG 33 -7.989 -2.193 -2.814
240 H LYS 34 H LYS 34 -6.526 1.653 1.796
241 HA LYS 34 HA LYS 34 -6.330 4.055 3.484
242 HB2 LYS 34 2HB LYS 34 -7.490 4.893 1.076
243 HB3 LYS 34 1HB LYS 34 -5.858 5.255 1.625
244 HG2 LYS 34 2HG LYS 34 -4.940 3.386 0.464
245 HG3 LYS 34 1HG LYS 34 -6.533 2.691 0.173
246 HD2 LYS 34 2HD LYS 34 -6.618 5.297 -0.945
247 HD3 LYS 34 1HD LYS 34 -5.073 4.608 -1.439
248 HE2 LYS 34 2HE LYS 34 -6.923 4.082 -3.034
249 HE3 LYS 34 1HE LYS 34 -6.187 2.637 -2.339
250 HZ1 LYS 34 3HZ LYS 34 -8.649 2.613 -2.339
251 HZ2 LYS 34 1HZ LYS 34 -8.636 3.934 -1.275
252 HZ3 LYS 34 2HZ LYS 34 -7.972 2.446 -0.791
253 H TRP 35 H TRP 35 -7.965 1.817 4.043
254 HA TRP 35 HA TRP 35 -10.192 1.300 4.530
255 HB2 TRP 35 2HB TRP 35 -11.408 3.889 4.046
256 HB3 TRP 35 1HB TRP 35 -11.174 3.046 5.566
257 HD1 TRP 35 HD TRP 35 -8.372 3.107 6.323
258 HE1 TRP 35 1HE TRP 35 -6.906 5.219 6.458
259 HE3 TRP 35 3HE TRP 35 -11.043 6.222 3.289
260 HZ2 TRP 35 2HZ TRP 35 -6.865 7.880 5.409
261 HZ3 TRP 35 3HZ TRP 35 -10.265 8.537 2.869
262 HH2 TRP 35 HH TRP 35 -8.183 9.370 3.923
263 H LYS 36 H LYS 36 -11.086 3.864 2.351
264 HA LYS 36 HA LYS 36 -12.886 3.404 0.702
265 HB2 LYS 36 2HB LYS 36 -10.036 3.486 -0.108
266 HB3 LYS 36 1HB LYS 36 -11.157 2.927 -1.351
267 HG2 LYS 36 2HG LYS 36 -12.492 4.933 -1.139
268 HG3 LYS 36 1HG LYS 36 -11.554 5.468 0.253
269 HD2 LYS 36 2HD LYS 36 -9.542 5.649 -1.156
270 HD3 LYS 36 1HD LYS 36 -10.467 5.097 -2.554
271 HE2 LYS 36 2HE LYS 36 -11.697 7.073 -2.696
272 HE3 LYS 36 1HE LYS 36 -11.457 7.466 -0.993
273 HZ1 LYS 36 3HZ LYS 36 -9.348 8.246 -1.374
274 HZ2 LYS 36 1HZ LYS 36 -10.133 8.733 -2.795
275 HZ3 LYS 36 2HZ LYS 36 -9.143 7.352 -2.804
276 H TYR 37 H TYR 37 -13.813 1.382 1.589
277 HA TYR 37 HA TYR 37 -12.748 -1.214 1.015
278 HB2 TYR 37 2HB TYR 37 -15.686 -0.492 0.945
279 HB3 TYR 37 1HB TYR 37 -14.975 -2.044 1.380
280 HD1 TYR 37 2HD TYR 37 -12.600 -0.621 2.985
281 HD2 TYR 37 1HD TYR 37 -16.892 -0.330 3.073
282 HE1 TYR 37 2HE TYR 37 -12.503 0.105 5.346
283 HE2 TYR 37 1HE TYR 37 -16.785 0.397 5.441
284 HH TYR 37 HH TYR 37 -15.473 0.917 7.145
285 H LEU 38 H LEU 38 -11.793 -0.856 -1.102
286 HA LEU 38 HA LEU 38 -13.191 -0.319 -3.475
287 HB2 LEU 38 2HB LEU 38 -11.006 -0.371 -4.085
288 HB3 LEU 38 1HB LEU 38 -10.585 -1.280 -2.646
289 HG LEU 38 HG LEU 38 -11.644 -3.301 -4.084
290 HD11 LEU 38 1HD1 LEU 38 -11.739 -2.980 -6.327
291 HD12 LEU 38 2HD1 LEU 38 -10.223 -2.088 -6.350
292 HD13 LEU 38 3HD1 LEU 38 -11.728 -1.254 -5.970
293 HD21 LEU 38 3HD2 LEU 38 -9.437 -3.392 -3.171
294 HD22 LEU 38 1HD2 LEU 38 -8.862 -2.138 -4.273
295 HD23 LEU 38 2HD2 LEU 38 -9.293 -3.733 -4.894
296 H PHE 39 H PHE 39 -13.121 -2.373 -5.223
297 HA PHE 39 HA PHE 39 -14.060 -4.877 -4.138
298 HB2 PHE 39 2HB PHE 39 -16.033 -3.376 -3.799
299 HB3 PHE 39 1HB PHE 39 -16.094 -3.124 -5.541
300 HD1 PHE 39 2HD PHE 39 -15.801 -5.995 -3.127
301 HD2 PHE 39 1HD PHE 39 -17.538 -4.494 -6.760
302 HE1 PHE 39 2HE PHE 39 -17.057 -8.114 -3.403
303 HE2 PHE 39 1HE PHE 39 -18.792 -6.615 -7.035
304 HZ PHE 39 HZ PHE 39 -18.552 -8.426 -5.357
305 H THR 40 H THR 40 -12.657 -5.848 -5.522
306 HA THR 40 HA THR 40 -13.471 -6.191 -8.309
307 HB THR 40 HB THR 40 -11.005 -5.723 -9.038
308 HG1 THR 40 1HG THR 40 -11.077 -4.827 -6.468
309 HG21 THR 40 3HG2 THR 40 -11.547 -3.466 -9.652
310 HG22 THR 40 1HG2 THR 40 -12.689 -3.312 -8.323
311 HG23 THR 40 2HG2 THR 40 -13.054 -4.377 -9.676
312 H GLY 41 H GLY 41 -13.413 -8.408 -8.318
313 HA2 GLY 41 2HA GLY 41 -12.540 -10.584 -8.059
314 HA3 GLY 41 1HA GLY 41 -10.958 -9.843 -7.778
315 H GLU 42 H GLU 42 -10.300 -10.777 -5.832
316 HA GLU 42 HA GLU 42 -11.983 -10.138 -3.469
317 HB2 GLU 42 2HB GLU 42 -12.555 -12.471 -4.157
318 HB3 GLU 42 1HB GLU 42 -10.857 -12.907 -3.964
319 HG2 GLU 42 2HG GLU 42 -10.932 -12.256 -1.597
320 HG3 GLU 42 1HG GLU 42 -12.617 -11.764 -1.776
321 H CYS 43 H CYS 43 -10.406 -8.676 -2.700
322 HA CYS 43 HA CYS 43 -7.657 -9.718 -2.363
323 HB2 CYS 43 2HB CYS 43 -8.890 -7.061 -2.639
324 HB3 CYS 43 1HB CYS 43 -7.657 -7.139 -1.393
325 HXT CYS 43 2HT CYS 43 -9.339 -7.559 -0.479
Start of MODEL 6
1 H1 CYS 1 1H CYS 1 5.312 -10.076 -1.416
2 H2 CYS 1 2H CYS 1 4.014 -10.944 -0.791
3 H3 CYS 1 3H CYS 1 4.180 -10.758 -2.454
4 HA CYS 1 HA CYS 1 3.827 -8.382 -2.261
5 HB2 CYS 1 2HB CYS 1 1.440 -8.583 -1.300
6 HB3 CYS 1 1HB CYS 1 1.803 -9.547 -2.711
7 H GLY 2 H GLY 2 3.896 -6.561 -0.907
8 HA2 GLY 2 2HA GLY 2 4.638 -7.027 1.899
9 HA3 GLY 2 1HA GLY 2 4.531 -5.457 1.102
10 H SER 3 H SER 3 3.276 -6.882 3.636
11 HA SER 3 HA SER 3 0.429 -6.118 3.127
12 HB2 SER 3 2HB SER 3 1.757 -7.858 5.214
13 HB3 SER 3 1HB SER 3 0.099 -7.288 5.397
14 HG SER 3 HG SER 3 -0.112 -8.180 3.140
15 H LYS 4 H LYS 4 -0.265 -5.555 5.858
16 HA LYS 4 HA LYS 4 0.255 -2.835 6.108
17 HB2 LYS 4 2HB LYS 4 -0.897 -4.780 7.793
18 HB3 LYS 4 1HB LYS 4 0.402 -4.084 8.752
19 HG2 LYS 4 2HG LYS 4 -0.535 -1.785 7.956
20 HG3 LYS 4 1HG LYS 4 -1.982 -2.690 7.536
21 HD2 LYS 4 2HD LYS 4 -2.513 -2.125 9.713
22 HD3 LYS 4 1HD LYS 4 -1.687 -3.655 10.040
23 HE2 LYS 4 2HE LYS 4 -0.977 -1.645 11.452
24 HE3 LYS 4 1HE LYS 4 0.311 -2.575 10.686
25 HZ1 LYS 4 3HZ LYS 4 0.306 -0.060 10.521
26 HZ2 LYS 4 1HZ LYS 4 -0.843 -0.250 9.295
27 HZ3 LYS 4 2HZ LYS 4 0.708 -0.927 9.150
28 H ARG 5 H ARG 5 2.087 -1.639 6.573
29 HA ARG 5 HA ARG 5 4.361 -1.237 7.038
30 HB2 ARG 5 2HB ARG 5 3.805 -3.479 9.016
31 HB3 ARG 5 1HB ARG 5 5.238 -2.455 9.036
32 HG2 ARG 5 2HG ARG 5 3.965 -0.505 9.530
33 HG3 ARG 5 1HG ARG 5 2.444 -1.314 9.146
34 HD2 ARG 5 2HD ARG 5 2.740 -1.161 11.584
35 HD3 ARG 5 1HD ARG 5 2.774 -2.841 11.057
36 HE ARG 5 HE ARG 5 5.113 -2.926 11.562
37 HH11 ARG 5 1HH2 ARG 5 3.724 0.216 11.931
38 HH12 ARG 5 2HH2 ARG 5 5.064 0.839 12.833
39 HH21 ARG 5 2HH1 ARG 5 6.853 -2.125 12.748
40 HH22 ARG 5 1HH1 ARG 5 6.832 -0.481 13.294
41 H ALA 6 H ALA 6 4.914 -2.118 4.857
42 HA ALA 6 HA ALA 6 6.900 -4.197 5.010
43 HB1 ALA 6 1HB ALA 6 4.310 -4.994 3.646
44 HB2 ALA 6 2HB ALA 6 4.855 -5.616 5.201
45 HB3 ALA 6 3HB ALA 6 5.781 -5.965 3.744
46 H TRP 7 H TRP 7 8.293 -3.723 3.444
47 HA TRP 7 HA TRP 7 8.057 -1.736 1.520
48 HB2 TRP 7 2HB TRP 7 10.220 -2.573 1.978
49 HB3 TRP 7 1HB TRP 7 9.744 -4.232 1.611
50 HD1 TRP 7 HD TRP 7 10.502 -0.891 -0.085
51 HE1 TRP 7 1HE TRP 7 11.022 -1.330 -2.576
52 HE3 TRP 7 3HE TRP 7 9.410 -5.865 -0.337
53 HZ2 TRP 7 2HZ TRP 7 10.977 -3.519 -4.428
54 HZ3 TRP 7 3HZ TRP 7 9.652 -7.104 -2.468
55 HH2 TRP 7 HH TRP 7 10.432 -5.941 -4.514
56 H CYS 8 H CYS 8 7.078 -1.547 -0.414
57 HA CYS 8 HA CYS 8 6.003 -4.027 -1.719
58 HB2 CYS 8 2HB CYS 8 3.978 -3.032 -1.783
59 HB3 CYS 8 1HB CYS 8 4.624 -1.655 -0.892
60 H LYS 9 H LYS 9 6.155 -4.010 -4.078
61 HA LYS 9 HA LYS 9 8.411 -2.339 -5.038
62 HB2 LYS 9 2HB LYS 9 8.051 -4.968 -5.356
63 HB3 LYS 9 1HB LYS 9 7.112 -4.437 -6.749
64 HG2 LYS 9 2HG LYS 9 9.787 -3.158 -6.406
65 HG3 LYS 9 1HG LYS 9 9.788 -4.861 -6.850
66 HD2 LYS 9 2HD LYS 9 8.559 -4.455 -8.844
67 HD3 LYS 9 1HD LYS 9 8.116 -2.826 -8.331
68 HE2 LYS 9 2HE LYS 9 10.354 -2.030 -8.592
69 HE3 LYS 9 1HE LYS 9 10.991 -3.667 -8.759
70 HZ1 LYS 9 3HZ LYS 9 10.153 -3.873 -10.874
71 HZ2 LYS 9 1HZ LYS 9 10.582 -2.232 -10.855
72 HZ3 LYS 9 2HZ LYS 9 8.957 -2.688 -10.647
73 H GLU 10 H GLU 10 4.982 -2.745 -5.378
74 HA GLU 10 HA GLU 10 4.754 -0.241 -6.818
75 HB2 GLU 10 2HB GLU 10 3.465 -1.396 -8.759
76 HB3 GLU 10 1HB GLU 10 5.223 -1.401 -8.812
77 HG2 GLU 10 2HG GLU 10 5.268 -3.659 -7.851
78 HG3 GLU 10 1HG GLU 10 3.505 -3.658 -7.747
79 H LYS 11 H LYS 11 2.223 -0.355 -7.751
80 HA LYS 11 HA LYS 11 0.612 -0.310 -5.394
81 HB2 LYS 11 2HB LYS 11 0.090 0.875 -7.534
82 HB3 LYS 11 1HB LYS 11 -0.319 -0.679 -8.258
83 HG2 LYS 11 2HG LYS 11 -2.020 -0.996 -6.413
84 HG3 LYS 11 1HG LYS 11 -1.696 0.665 -5.916
85 HD2 LYS 11 2HD LYS 11 -2.505 -0.042 -8.745
86 HD3 LYS 11 1HD LYS 11 -3.690 0.320 -7.493
87 HE2 LYS 11 2HE LYS 11 -2.666 2.534 -7.145
88 HE3 LYS 11 1HE LYS 11 -1.454 2.176 -8.376
89 HZ1 LYS 11 3HZ LYS 11 -3.668 1.653 -9.730
90 HZ2 LYS 11 1HZ LYS 11 -2.949 3.189 -9.699
91 HZ3 LYS 11 2HZ LYS 11 -4.266 2.848 -8.681
92 H LYS 12 H LYS 12 0.905 -2.745 -7.966
93 HA LYS 12 HA LYS 12 -0.981 -4.585 -6.799
94 HB2 LYS 12 2HB LYS 12 -0.523 -4.746 -9.158
95 HB3 LYS 12 1HB LYS 12 1.207 -4.915 -8.870
96 HG2 LYS 12 2HG LYS 12 0.210 -7.093 -9.399
97 HG3 LYS 12 1HG LYS 12 0.801 -7.086 -7.741
98 HD2 LYS 12 2HD LYS 12 -1.427 -6.771 -6.869
99 HD3 LYS 12 1HD LYS 12 -2.079 -6.498 -8.484
100 HE2 LYS 12 2HE LYS 12 -2.630 -8.740 -8.138
101 HE3 LYS 12 1HE LYS 12 -1.079 -8.899 -8.961
102 HZ1 LYS 12 3HZ LYS 12 -1.396 -10.216 -6.839
103 HZ2 LYS 12 1HZ LYS 12 -1.277 -8.738 -6.016
104 HZ3 LYS 12 2HZ LYS 12 0.025 -9.292 -6.957
105 H ASP 13 H ASP 13 2.416 -3.966 -6.282
106 HA ASP 13 HA ASP 13 3.165 -6.497 -5.223
107 HB2 ASP 13 2HB ASP 13 4.634 -4.439 -5.847
108 HB3 ASP 13 1HB ASP 13 4.359 -3.953 -4.174
109 H CYS 14 H CYS 14 1.132 -4.058 -3.736
110 HA CYS 14 HA CYS 14 1.790 -4.997 -1.046
111 HB2 CYS 14 2HB CYS 14 -0.277 -3.100 -2.175
112 HB3 CYS 14 1HB CYS 14 -0.259 -3.573 -0.499
113 H CYS 15 H CYS 15 0.946 -6.828 -0.256
114 HA CYS 15 HA CYS 15 -0.757 -8.565 -1.661
115 HB2 CYS 15 2HB CYS 15 0.617 -8.622 0.775
116 HB3 CYS 15 1HB CYS 15 -1.065 -8.851 1.227
117 H CYS 16 H CYS 16 -2.739 -9.425 -0.244
118 HA CYS 16 HA CYS 16 -5.116 -8.978 -0.358
119 HB2 CYS 16 2HB CYS 16 -3.750 -8.920 1.970
120 HB3 CYS 16 1HB CYS 16 -4.574 -7.382 2.021
121 H GLY 17 H GLY 17 -6.014 -6.682 1.190
122 HA2 GLY 17 2HA GLY 17 -6.330 -4.809 -1.050
123 HA3 GLY 17 1HA GLY 17 -7.246 -4.774 0.455
124 H TYR 18 H TYR 18 -3.762 -5.112 0.374
125 HA TYR 18 HA TYR 18 -3.520 -2.636 2.026
126 HB2 TYR 18 2HB TYR 18 -1.492 -4.604 0.923
127 HB3 TYR 18 1HB TYR 18 -1.075 -3.237 1.944
128 HD1 TYR 18 1HD TYR 18 -1.777 -3.162 4.299
129 HD2 TYR 18 2HD TYR 18 -2.579 -6.559 1.818
130 HE1 TYR 18 1HE TYR 18 -2.266 -4.521 6.310
131 HE2 TYR 18 2HE TYR 18 -3.067 -7.920 3.834
132 HH TYR 18 HH TYR 18 -2.465 -7.878 6.264
133 H ASN 19 H ASN 19 -2.825 -0.633 1.248
134 HA ASN 19 HA ASN 19 -2.371 -0.499 -1.705
135 HB2 ASN 19 2HB ASN 19 -2.969 1.789 -1.588
136 HB3 ASN 19 1HB ASN 19 -4.079 0.991 -0.470
137 HD21 ASN 19 1HD2 ASN 19 -2.880 3.826 -0.451
138 HD22 ASN 19 2HD2 ASN 19 -2.204 3.975 1.097
139 H CYS 20 H CYS 20 -0.504 0.549 -2.555
140 HA CYS 20 HA CYS 20 1.822 0.452 -0.727
141 HB2 CYS 20 2HB CYS 20 1.807 -0.565 -3.071
142 HB3 CYS 20 1HB CYS 20 1.840 1.088 -3.679
143 H VAL 21 H VAL 21 2.652 2.230 0.177
144 HA VAL 21 HA VAL 21 2.004 4.900 -1.028
145 HB VAL 21 HB VAL 21 2.426 4.184 1.894
146 HG11 VAL 21 1HG1 VAL 21 1.568 6.583 2.171
147 HG12 VAL 21 2HG1 VAL 21 1.896 6.790 0.451
148 HG13 VAL 21 3HG1 VAL 21 3.213 6.412 1.561
149 HG21 VAL 21 3HG2 VAL 21 -0.024 5.019 1.966
150 HG22 VAL 21 1HG2 VAL 21 0.266 3.407 1.316
151 HG23 VAL 21 2HG2 VAL 21 -0.023 4.758 0.222
152 H TYR 22 H TYR 22 3.782 6.129 -1.584
153 HA TYR 22 HA TYR 22 6.431 4.864 -1.162
154 HB2 TYR 22 2HB TYR 22 5.568 6.306 -3.175
155 HB3 TYR 22 1HB TYR 22 6.019 7.679 -2.161
156 HD1 TYR 22 2HD TYR 22 7.301 4.554 -3.723
157 HD2 TYR 22 1HD TYR 22 8.309 8.303 -1.885
158 HE1 TYR 22 2HE TYR 22 9.665 4.244 -4.394
159 HE2 TYR 22 1HE TYR 22 10.677 7.993 -2.558
160 HH TYR 22 HH TYR 22 11.649 5.718 -4.837
161 H ALA 23 H ALA 23 7.655 5.169 0.640
162 HA ALA 23 HA ALA 23 6.970 7.417 2.466
163 HB1 ALA 23 1HB ALA 23 8.133 6.187 4.176
164 HB2 ALA 23 2HB ALA 23 8.851 5.100 2.987
165 HB3 ALA 23 3HB ALA 23 7.118 5.031 3.310
166 H TRP 24 H TRP 24 8.045 9.123 1.305
167 HA TRP 24 HA TRP 24 10.658 9.108 0.288
168 HB2 TRP 24 2HB TRP 24 10.476 11.633 1.425
169 HB3 TRP 24 1HB TRP 24 9.862 11.188 -0.164
170 HD1 TRP 24 HD TRP 24 8.702 11.491 3.487
171 HE1 TRP 24 1HE TRP 24 6.155 11.893 3.499
172 HE3 TRP 24 3HE TRP 24 7.710 10.990 -1.496
173 HZ2 TRP 24 2HZ TRP 24 3.984 11.991 1.637
174 HZ3 TRP 24 3HZ TRP 24 5.397 11.244 -2.350
175 HH2 TRP 24 HH TRP 24 3.534 11.744 -0.790
176 H TYR 25 H TYR 25 9.701 8.467 3.466
177 HA TYR 25 HA TYR 25 11.774 9.757 4.990
178 HB2 TYR 25 2HB TYR 25 9.994 7.409 5.324
179 HB3 TYR 25 1HB TYR 25 11.465 7.368 6.294
180 HD1 TYR 25 2HD TYR 25 8.368 9.278 5.581
181 HD2 TYR 25 1HD TYR 25 11.834 8.913 8.092
182 HE1 TYR 25 2HE TYR 25 7.373 10.887 7.186
183 HE2 TYR 25 1HE TYR 25 10.838 10.521 9.700
184 HH TYR 25 HH TYR 25 8.547 11.316 10.318
185 H ASN 26 H ASN 26 11.821 6.566 3.361
186 HA ASN 26 HA ASN 26 14.770 6.795 3.200
187 HB2 ASN 26 2HB ASN 26 14.974 4.406 4.047
188 HB3 ASN 26 1HB ASN 26 14.545 5.602 5.274
189 HD21 ASN 26 1HD2 ASN 26 11.869 5.951 5.080
190 HD22 ASN 26 2HD2 ASN 26 11.026 4.487 5.233
191 H GLN 27 H GLN 27 12.951 7.031 1.097
192 HA GLN 27 HA GLN 27 12.301 6.046 -0.952
193 HB2 GLN 27 2HB GLN 27 15.025 4.800 -0.455
194 HB3 GLN 27 1HB GLN 27 14.176 4.746 -2.001
195 HG2 GLN 27 2HG GLN 27 14.883 7.313 -0.551
196 HG3 GLN 27 1HG GLN 27 15.855 6.609 -1.843
197 HE21 GLN 27 1HE2 GLN 27 13.582 8.961 -1.369
198 HE22 GLN 27 2HE2 GLN 27 12.826 8.946 -2.888
199 H GLN 28 H GLN 28 11.148 4.745 1.250
200 HA GLN 28 HA GLN 28 11.226 1.870 0.412
201 HB2 GLN 28 2HB GLN 28 11.982 1.729 2.598
202 HB3 GLN 28 1HB GLN 28 11.133 3.191 3.090
203 HG2 GLN 28 2HG GLN 28 9.026 2.041 3.199
204 HG3 GLN 28 1HG GLN 28 9.695 0.614 2.404
205 HE21 GLN 28 1HE2 GLN 28 8.744 1.619 5.392
206 HE22 GLN 28 2HE2 GLN 28 9.814 0.728 6.360
207 H SER 29 H SER 29 9.260 0.930 -0.076
208 HA SER 29 HA SER 29 6.902 2.745 -0.124
209 HB2 SER 29 2HB SER 29 6.821 -0.030 -1.248
210 HB3 SER 29 1HB SER 29 6.118 1.457 -1.870
211 HG SER 29 HG SER 29 8.856 0.716 -1.863
212 H SER 30 H SER 30 5.670 2.612 1.724
213 HA SER 30 HA SER 30 5.625 0.101 3.220
214 HB2 SER 30 2HB SER 30 6.085 2.389 4.288
215 HB3 SER 30 1HB SER 30 4.362 2.691 4.078
216 HG SER 30 HG SER 30 4.536 0.302 5.102
217 H CYS 31 H CYS 31 3.995 -1.289 2.733
218 HA CYS 31 HA CYS 31 1.603 -0.469 1.355
219 HB2 CYS 31 2HB CYS 31 2.300 -2.996 2.852
220 HB3 CYS 31 1HB CYS 31 0.817 -2.796 1.943
221 H GLU 32 H GLU 32 -0.505 -0.148 2.183
222 HA GLU 32 HA GLU 32 -0.807 -0.231 5.138
223 HB2 GLU 32 2HB GLU 32 -1.151 2.239 3.430
224 HB3 GLU 32 1HB GLU 32 -1.782 2.095 5.070
225 HG2 GLU 32 2HG GLU 32 0.452 1.642 5.896
226 HG3 GLU 32 1HG GLU 32 1.109 1.755 4.275
227 H ARG 33 H ARG 33 -2.573 -1.566 5.270
228 HA ARG 33 HA ARG 33 -4.772 -1.249 3.359
229 HB2 ARG 33 2HB ARG 33 -4.040 -3.352 5.042
230 HB3 ARG 33 1HB ARG 33 -5.472 -2.701 5.815
231 HG2 ARG 33 2HG ARG 33 -5.208 -3.751 2.991
232 HG3 ARG 33 1HG ARG 33 -6.254 -4.351 4.269
233 HD2 ARG 33 2HD ARG 33 -7.454 -2.153 4.238
234 HD3 ARG 33 1HD ARG 33 -6.497 -1.678 2.851
235 HE ARG 33 HE ARG 33 -8.143 -4.146 2.675
236 HH11 ARG 33 1HH2 ARG 33 -7.354 -0.917 1.702
237 HH12 ARG 33 2HH2 ARG 33 -8.398 -0.944 0.321
238 HH21 ARG 33 2HH1 ARG 33 -9.514 -4.174 0.873
239 HH22 ARG 33 1HH1 ARG 33 -9.615 -2.777 -0.144
240 H LYS 34 H LYS 34 -6.531 0.130 3.746
241 HA LYS 34 HA LYS 34 -6.576 1.400 6.400
242 HB2 LYS 34 2HB LYS 34 -7.580 2.531 3.788
243 HB3 LYS 34 1HB LYS 34 -7.567 3.366 5.343
244 HG2 LYS 34 2HG LYS 34 -4.982 2.808 5.323
245 HG3 LYS 34 1HG LYS 34 -5.230 2.610 3.588
246 HD2 LYS 34 2HD LYS 34 -5.865 5.089 5.215
247 HD3 LYS 34 1HD LYS 34 -4.577 4.913 4.025
248 HE2 LYS 34 2HE LYS 34 -6.370 4.380 2.310
249 HE3 LYS 34 1HE LYS 34 -7.557 4.873 3.520
250 HZ1 LYS 34 3HZ LYS 34 -5.367 6.540 2.413
251 HZ2 LYS 34 1HZ LYS 34 -6.399 7.019 3.673
252 HZ3 LYS 34 2HZ LYS 34 -7.032 6.727 2.124
253 H TRP 35 H TRP 35 -7.837 -1.097 5.271
254 HA TRP 35 HA TRP 35 -10.695 -0.496 5.936
255 HB2 TRP 35 2HB TRP 35 -9.481 -2.618 4.159
256 HB3 TRP 35 1HB TRP 35 -11.165 -2.633 4.668
257 HD1 TRP 35 HD TRP 35 -8.772 -0.052 3.023
258 HE1 TRP 35 1HE TRP 35 -10.104 1.198 1.201
259 HE3 TRP 35 3HE TRP 35 -13.325 -2.285 3.583
260 HZ2 TRP 35 2HZ TRP 35 -12.761 1.239 0.125
261 HZ3 TRP 35 3HZ TRP 35 -15.233 -1.633 2.149
262 HH2 TRP 35 HH TRP 35 -14.960 0.125 0.421
263 H LYS 36 H LYS 36 -7.894 -1.859 7.056
264 HA LYS 36 HA LYS 36 -8.625 -4.356 8.144
265 HB2 LYS 36 2HB LYS 36 -6.374 -2.808 8.203
266 HB3 LYS 36 1HB LYS 36 -6.914 -2.660 9.872
267 HG2 LYS 36 2HG LYS 36 -6.917 -5.076 10.148
268 HG3 LYS 36 1HG LYS 36 -6.569 -5.308 8.433
269 HD2 LYS 36 2HD LYS 36 -4.423 -4.058 8.748
270 HD3 LYS 36 1HD LYS 36 -4.757 -3.995 10.478
271 HE2 LYS 36 2HE LYS 36 -4.778 -6.636 9.037
272 HE3 LYS 36 1HE LYS 36 -3.249 -5.923 9.548
273 HZ1 LYS 36 3HZ LYS 36 -4.808 -7.458 11.100
274 HZ2 LYS 36 1HZ LYS 36 -5.322 -5.908 11.561
275 HZ3 LYS 36 2HZ LYS 36 -3.682 -6.331 11.687
276 H TYR 37 H TYR 37 -10.737 -2.212 8.447
277 HA TYR 37 HA TYR 37 -11.002 -2.250 11.468
278 HB2 TYR 37 2HB TYR 37 -12.634 -0.799 9.353
279 HB3 TYR 37 1HB TYR 37 -12.808 -0.612 11.097
280 HD1 TYR 37 2HD TYR 37 -10.761 0.189 12.433
281 HD2 TYR 37 1HD TYR 37 -11.047 0.469 8.156
282 HE1 TYR 37 2HE TYR 37 -8.957 1.890 12.421
283 HE2 TYR 37 1HE TYR 37 -9.243 2.170 8.147
284 HH TYR 37 HH TYR 37 -7.651 3.161 9.376
285 H LEU 38 H LEU 38 -11.862 -4.240 12.005
286 HA LEU 38 HA LEU 38 -13.525 -5.899 12.185
287 HB2 LEU 38 2HB LEU 38 -14.922 -3.609 11.392
288 HB3 LEU 38 1HB LEU 38 -15.382 -4.797 10.182
289 HG LEU 38 HG LEU 38 -15.437 -5.681 13.044
290 HD11 LEU 38 1HD1 LEU 38 -17.678 -4.700 13.361
291 HD12 LEU 38 2HD1 LEU 38 -17.535 -3.870 11.812
292 HD13 LEU 38 3HD1 LEU 38 -16.461 -3.442 13.144
293 HD21 LEU 38 3HD2 LEU 38 -17.650 -6.091 11.067
294 HD22 LEU 38 1HD2 LEU 38 -16.986 -7.211 12.255
295 HD23 LEU 38 2HD2 LEU 38 -16.123 -6.908 10.751
296 H PHE 39 H PHE 39 -14.484 -7.629 10.775
297 HA PHE 39 HA PHE 39 -14.713 -8.807 8.697
298 HB2 PHE 39 2HB PHE 39 -13.083 -6.606 7.812
299 HB3 PHE 39 1HB PHE 39 -12.377 -8.109 7.238
300 HD1 PHE 39 2HD PHE 39 -13.997 -9.804 6.113
301 HD2 PHE 39 1HD PHE 39 -14.933 -5.659 6.741
302 HE1 PHE 39 2HE PHE 39 -15.757 -9.937 4.369
303 HE2 PHE 39 1HE PHE 39 -16.690 -5.791 5.000
304 HZ PHE 39 HZ PHE 39 -17.104 -7.930 3.814
305 H THR 40 H THR 40 -13.028 -10.413 7.580
306 HA THR 40 HA THR 40 -11.777 -11.838 9.783
307 HB THR 40 HB THR 40 -12.551 -13.345 8.198
308 HG1 THR 40 1HG THR 40 -10.135 -13.016 6.864
309 HG21 THR 40 3HG2 THR 40 -11.926 -12.797 5.661
310 HG22 THR 40 1HG2 THR 40 -11.879 -11.149 6.281
311 HG23 THR 40 2HG2 THR 40 -13.356 -12.105 6.426
312 H GLY 41 H GLY 41 -9.422 -12.714 9.305
313 HA2 GLY 41 2HA GLY 41 -7.612 -10.537 9.527
314 HA3 GLY 41 1HA GLY 41 -7.140 -12.199 9.167
315 H GLU 42 H GLU 42 -9.365 -11.332 6.870
316 HA GLU 42 HA GLU 42 -7.201 -10.815 4.907
317 HB2 GLU 42 2HB GLU 42 -8.909 -12.598 4.461
318 HB3 GLU 42 1HB GLU 42 -10.148 -11.343 4.419
319 HG2 GLU 42 2HG GLU 42 -8.942 -10.221 2.566
320 HG3 GLU 42 1HG GLU 42 -7.724 -11.498 2.600
321 H CYS 43 H CYS 43 -6.959 -8.864 3.949
322 HA CYS 43 HA CYS 43 -7.610 -6.439 4.865
323 HB2 CYS 43 2HB CYS 43 -7.946 -5.721 2.354
324 HB3 CYS 43 1HB CYS 43 -6.394 -6.346 2.887
325 HXT CYS 43 2HT CYS 43 -9.552 -5.770 5.588
Start of MODEL 7
1 H1 CYS 1 1H CYS 1 5.598 -9.526 -1.440
2 H2 CYS 1 2H CYS 1 4.487 -10.580 -0.745
3 H3 CYS 1 3H CYS 1 4.316 -10.119 -2.355
4 HA CYS 1 HA CYS 1 3.897 -7.846 -1.706
5 HB2 CYS 1 2HB CYS 1 1.686 -8.185 -0.982
6 HB3 CYS 1 1HB CYS 1 2.058 -9.678 -1.822
7 H GLY 2 H GLY 2 4.267 -6.257 -0.190
8 HA2 GLY 2 2HA GLY 2 5.692 -6.877 2.229
9 HA3 GLY 2 1HA GLY 2 5.007 -5.304 1.815
10 H SER 3 H SER 3 2.400 -5.713 1.688
11 HA SER 3 HA SER 3 0.408 -6.299 2.823
12 HB2 SER 3 2HB SER 3 1.815 -8.353 3.656
13 HB3 SER 3 1HB SER 3 1.977 -7.412 5.135
14 HG SER 3 HG SER 3 0.090 -8.880 4.918
15 H LYS 4 H LYS 4 -0.213 -5.959 5.461
16 HA LYS 4 HA LYS 4 -0.255 -3.178 5.807
17 HB2 LYS 4 2HB LYS 4 -1.652 -4.891 7.035
18 HB3 LYS 4 1HB LYS 4 -0.257 -5.222 8.050
19 HG2 LYS 4 2HG LYS 4 -0.237 -2.936 8.864
20 HG3 LYS 4 1HG LYS 4 -1.521 -2.487 7.739
21 HD2 LYS 4 2HD LYS 4 -3.048 -4.094 8.837
22 HD3 LYS 4 1HD LYS 4 -1.772 -4.527 9.973
23 HE2 LYS 4 2HE LYS 4 -2.233 -1.628 9.836
24 HE3 LYS 4 1HE LYS 4 -3.653 -2.528 10.369
25 HZ1 LYS 4 3HZ LYS 4 -2.251 -1.956 12.231
26 HZ2 LYS 4 1HZ LYS 4 -0.924 -2.740 11.520
27 HZ3 LYS 4 2HZ LYS 4 -2.278 -3.641 12.015
28 H ARG 5 H ARG 5 1.291 -1.707 6.435
29 HA ARG 5 HA ARG 5 3.430 -0.937 7.052
30 HB2 ARG 5 2HB ARG 5 2.491 -1.375 9.286
31 HB3 ARG 5 1HB ARG 5 2.967 -3.068 9.169
32 HG2 ARG 5 2HG ARG 5 5.352 -2.332 8.968
33 HG3 ARG 5 1HG ARG 5 4.824 -0.670 9.236
34 HD2 ARG 5 2HD ARG 5 4.298 -2.958 11.154
35 HD3 ARG 5 1HD ARG 5 5.616 -1.803 11.328
36 HE ARG 5 HE ARG 5 2.747 -1.244 11.760
37 HH11 ARG 5 1HH2 ARG 5 5.996 -0.108 11.425
38 HH12 ARG 5 2HH2 ARG 5 5.676 1.411 12.192
39 HH21 ARG 5 2HH1 ARG 5 2.331 0.728 12.772
40 HH22 ARG 5 1HH1 ARG 5 3.610 1.882 12.952
41 H ALA 6 H ALA 6 4.365 -1.812 5.091
42 HA ALA 6 HA ALA 6 6.551 -3.636 5.514
43 HB1 ALA 6 1HB ALA 6 4.700 -5.285 5.598
44 HB2 ALA 6 2HB ALA 6 5.724 -5.535 4.187
45 HB3 ALA 6 3HB ALA 6 4.155 -4.735 4.006
46 H TRP 7 H TRP 7 7.980 -3.477 3.835
47 HA TRP 7 HA TRP 7 7.929 -1.461 1.974
48 HB2 TRP 7 2HB TRP 7 9.949 -2.707 2.345
49 HB3 TRP 7 1HB TRP 7 9.220 -4.176 1.700
50 HD1 TRP 7 HD TRP 7 9.846 -0.551 0.448
51 HE1 TRP 7 1HE TRP 7 10.518 -0.680 -2.039
52 HE3 TRP 7 3HE TRP 7 9.526 -5.589 -0.292
53 HZ2 TRP 7 2HZ TRP 7 10.876 -2.661 -4.071
54 HZ3 TRP 7 3HZ TRP 7 10.041 -6.572 -2.508
55 HH2 TRP 7 HH TRP 7 10.716 -5.116 -4.397
56 H CYS 8 H CYS 8 6.791 -1.004 0.195
57 HA CYS 8 HA CYS 8 5.384 -3.251 -1.233
58 HB2 CYS 8 2HB CYS 8 3.516 -1.772 -1.626
59 HB3 CYS 8 1HB CYS 8 3.870 -1.710 0.097
60 H LYS 9 H LYS 9 5.805 -3.287 -3.486
61 HA LYS 9 HA LYS 9 7.602 -1.141 -4.488
62 HB2 LYS 9 2HB LYS 9 8.059 -3.598 -4.940
63 HB3 LYS 9 1HB LYS 9 6.632 -3.592 -5.979
64 HG2 LYS 9 2HG LYS 9 7.614 -1.789 -7.341
65 HG3 LYS 9 1HG LYS 9 9.030 -1.762 -6.296
66 HD2 LYS 9 2HD LYS 9 9.526 -4.104 -6.903
67 HD3 LYS 9 1HD LYS 9 8.117 -4.121 -7.965
68 HE2 LYS 9 2HE LYS 9 10.543 -2.320 -8.230
69 HE3 LYS 9 1HE LYS 9 10.115 -3.661 -9.293
70 HZ1 LYS 9 3HZ LYS 9 8.643 -1.115 -8.912
71 HZ2 LYS 9 1HZ LYS 9 7.984 -2.452 -9.724
72 HZ3 LYS 9 2HZ LYS 9 9.375 -1.690 -10.333
73 H GLU 10 H GLU 10 4.486 -2.646 -5.273
74 HA GLU 10 HA GLU 10 3.597 -0.097 -6.477
75 HB2 GLU 10 2HB GLU 10 3.185 -2.651 -8.030
76 HB3 GLU 10 1HB GLU 10 3.060 -0.987 -8.596
77 HG2 GLU 10 2HG GLU 10 5.496 -0.719 -8.376
78 HG3 GLU 10 1HG GLU 10 5.617 -2.375 -7.776
79 H LYS 11 H LYS 11 1.200 -0.546 -7.264
80 HA LYS 11 HA LYS 11 -0.338 -1.278 -4.979
81 HB2 LYS 11 2HB LYS 11 -1.381 0.186 -6.500
82 HB3 LYS 11 1HB LYS 11 -0.929 -0.782 -7.895
83 HG2 LYS 11 2HG LYS 11 -2.530 -2.543 -7.175
84 HG3 LYS 11 1HG LYS 11 -2.988 -1.546 -5.795
85 HD2 LYS 11 2HD LYS 11 -4.649 -1.076 -7.422
86 HD3 LYS 11 1HD LYS 11 -3.534 0.284 -7.543
87 HE2 LYS 11 2HE LYS 11 -3.550 -0.214 -9.773
88 HE3 LYS 11 1HE LYS 11 -2.405 -1.467 -9.323
89 HZ1 LYS 11 3HZ LYS 11 -5.306 -1.719 -9.783
90 HZ2 LYS 11 1HZ LYS 11 -4.449 -2.888 -8.902
91 HZ3 LYS 11 2HZ LYS 11 -4.034 -2.574 -10.518
92 H LYS 12 H LYS 12 0.379 -3.082 -7.996
93 HA LYS 12 HA LYS 12 -1.173 -5.389 -7.217
94 HB2 LYS 12 2HB LYS 12 0.614 -6.297 -9.095
95 HB3 LYS 12 1HB LYS 12 -0.943 -5.581 -9.462
96 HG2 LYS 12 2HG LYS 12 1.523 -3.887 -9.088
97 HG3 LYS 12 1HG LYS 12 1.137 -4.611 -10.644
98 HD2 LYS 12 2HD LYS 12 -1.057 -3.484 -10.633
99 HD3 LYS 12 1HD LYS 12 -0.675 -2.751 -9.081
100 HE2 LYS 12 2HE LYS 12 1.441 -1.840 -10.246
101 HE3 LYS 12 1HE LYS 12 0.624 -2.253 -11.751
102 HZ1 LYS 12 3HZ LYS 12 -0.415 -0.454 -9.629
103 HZ2 LYS 12 1HZ LYS 12 -1.254 -0.883 -11.040
104 HZ3 LYS 12 2HZ LYS 12 0.180 0.025 -11.147
105 H ASP 13 H ASP 13 2.276 -4.533 -6.953
106 HA ASP 13 HA ASP 13 3.166 -7.123 -6.181
107 HB2 ASP 13 2HB ASP 13 4.236 -4.327 -5.820
108 HB3 ASP 13 1HB ASP 13 5.092 -5.740 -5.247
109 H CYS 14 H CYS 14 1.219 -4.866 -4.568
110 HA CYS 14 HA CYS 14 2.118 -5.695 -1.872
111 HB2 CYS 14 2HB CYS 14 1.394 -3.324 -2.408
112 HB3 CYS 14 1HB CYS 14 -0.245 -3.947 -2.577
113 H CYS 15 H CYS 15 0.723 -6.811 -0.407
114 HA CYS 15 HA CYS 15 -0.831 -8.889 -1.579
115 HB2 CYS 15 2HB CYS 15 -0.089 -7.981 1.104
116 HB3 CYS 15 1HB CYS 15 -1.708 -8.662 1.054
117 H CYS 16 H CYS 16 -3.011 -8.974 -2.076
118 HA CYS 16 HA CYS 16 -4.464 -6.635 -2.565
119 HB2 CYS 16 2HB CYS 16 -5.024 -9.390 -2.741
120 HB3 CYS 16 1HB CYS 16 -6.302 -8.728 -1.729
121 H GLY 17 H GLY 17 -5.912 -5.380 -1.374
122 HA2 GLY 17 2HA GLY 17 -7.204 -4.803 0.561
123 HA3 GLY 17 1HA GLY 17 -6.420 -6.097 1.460
124 H TYR 18 H TYR 18 -3.965 -4.668 -0.182
125 HA TYR 18 HA TYR 18 -3.598 -2.615 2.027
126 HB2 TYR 18 2HB TYR 18 -1.591 -4.549 0.884
127 HB3 TYR 18 1HB TYR 18 -1.171 -3.215 1.958
128 HD1 TYR 18 1HD TYR 18 -2.977 -3.056 4.010
129 HD2 TYR 18 2HD TYR 18 -1.790 -6.598 1.933
130 HE1 TYR 18 1HE TYR 18 -3.660 -4.410 5.969
131 HE2 TYR 18 2HE TYR 18 -2.468 -7.981 3.890
132 HH TYR 18 HH TYR 18 -2.732 -7.094 6.746
133 H ASN 19 H ASN 19 -2.727 -0.671 1.474
134 HA ASN 19 HA ASN 19 -2.436 -0.201 -1.462
135 HB2 ASN 19 2HB ASN 19 -2.810 2.110 -1.014
136 HB3 ASN 19 1HB ASN 19 -3.958 1.246 0.090
137 HD21 ASN 19 1HD2 ASN 19 -2.215 3.911 0.245
138 HD22 ASN 19 2HD2 ASN 19 -1.635 3.809 1.837
139 H CYS 20 H CYS 20 -0.504 0.635 -2.312
140 HA CYS 20 HA CYS 20 1.874 0.179 -0.642
141 HB2 CYS 20 2HB CYS 20 1.950 -0.710 -2.883
142 HB3 CYS 20 1HB CYS 20 1.520 0.854 -3.565
143 H VAL 21 H VAL 21 3.185 1.798 0.144
144 HA VAL 21 HA VAL 21 2.499 4.616 -0.631
145 HB VAL 21 HB VAL 21 3.283 3.485 2.069
146 HG11 VAL 21 1HG1 VAL 21 2.911 6.366 1.209
147 HG12 VAL 21 2HG1 VAL 21 4.421 5.623 1.737
148 HG13 VAL 21 3HG1 VAL 21 3.091 5.826 2.877
149 HG21 VAL 21 3HG2 VAL 21 1.102 4.175 2.776
150 HG22 VAL 21 1HG2 VAL 21 0.878 3.306 1.258
151 HG23 VAL 21 2HG2 VAL 21 0.832 5.069 1.279
152 H TYR 22 H TYR 22 4.212 5.804 -1.379
153 HA TYR 22 HA TYR 22 6.926 4.473 -1.144
154 HB2 TYR 22 2HB TYR 22 5.777 5.229 -3.380
155 HB3 TYR 22 1HB TYR 22 6.287 6.842 -2.895
156 HD1 TYR 22 1HD TYR 22 8.852 6.900 -1.981
157 HD2 TYR 22 2HD TYR 22 7.226 4.033 -4.740
158 HE1 TYR 22 1HE TYR 22 11.129 6.429 -2.837
159 HE2 TYR 22 2HE TYR 22 9.506 3.564 -5.594
160 HH TYR 22 HH TYR 22 11.839 5.167 -5.581
161 H ALA 23 H ALA 23 8.315 5.358 0.376
162 HA ALA 23 HA ALA 23 7.589 7.981 1.534
163 HB1 ALA 23 1HB ALA 23 10.057 6.546 2.404
164 HB2 ALA 23 2HB ALA 23 8.511 5.762 2.732
165 HB3 ALA 23 3HB ALA 23 8.832 7.373 3.367
166 H TRP 24 H TRP 24 8.340 9.760 0.580
167 HA TRP 24 HA TRP 24 10.251 9.944 -1.451
168 HB2 TRP 24 2HB TRP 24 10.538 12.385 -0.342
169 HB3 TRP 24 1HB TRP 24 9.098 11.929 -1.254
170 HD1 TRP 24 HD TRP 24 10.317 11.595 2.391
171 HE1 TRP 24 1HE TRP 24 8.321 12.051 3.964
172 HE3 TRP 24 3HE TRP 24 6.665 12.417 -1.067
173 HZ2 TRP 24 2HZ TRP 24 5.535 12.691 3.765
174 HZ3 TRP 24 3HZ TRP 24 4.351 12.948 -0.357
175 HH2 TRP 24 HH TRP 24 3.781 13.086 2.053
176 H TYR 25 H TYR 25 10.748 9.670 2.041
177 HA TYR 25 HA TYR 25 13.687 10.255 1.620
178 HB2 TYR 25 2HB TYR 25 13.747 10.020 4.173
179 HB3 TYR 25 1HB TYR 25 12.885 11.412 3.528
180 HD1 TYR 25 2HD TYR 25 12.170 7.807 4.385
181 HD2 TYR 25 1HD TYR 25 10.812 11.885 4.471
182 HE1 TYR 25 2HE TYR 25 10.118 7.096 5.571
183 HE2 TYR 25 1HE TYR 25 8.761 11.172 5.657
184 HH TYR 25 HH TYR 25 8.319 8.787 7.297
185 H ASN 26 H ASN 26 15.232 8.770 2.719
186 HA ASN 26 HA ASN 26 16.216 6.660 2.656
187 HB2 ASN 26 2HB ASN 26 15.450 5.265 4.343
188 HB3 ASN 26 1HB ASN 26 14.720 6.798 4.804
189 HD21 ASN 26 1HD2 ASN 26 12.856 6.138 2.235
190 HD22 ASN 26 2HD2 ASN 26 11.670 5.159 2.946
191 H GLN 27 H GLN 27 14.046 7.373 0.528
192 HA GLN 27 HA GLN 27 12.828 6.227 -1.160
193 HB2 GLN 27 2HB GLN 27 15.601 5.022 -1.140
194 HB3 GLN 27 1HB GLN 27 14.436 4.725 -2.430
195 HG2 GLN 27 2HG GLN 27 15.313 7.489 -1.552
196 HG3 GLN 27 1HG GLN 27 16.023 6.621 -2.912
197 HE21 GLN 27 1HE2 GLN 27 13.939 9.057 -2.450
198 HE22 GLN 27 2HE2 GLN 27 12.811 8.760 -3.686
199 H GLN 28 H GLN 28 11.985 5.095 1.230
200 HA GLN 28 HA GLN 28 11.908 2.176 0.541
201 HB2 GLN 28 2HB GLN 28 13.075 2.546 2.679
202 HB3 GLN 28 1HB GLN 28 11.695 3.459 3.282
203 HG2 GLN 28 2HG GLN 28 10.734 1.544 3.983
204 HG3 GLN 28 1HG GLN 28 10.681 0.967 2.320
205 HE21 GLN 28 1HE2 GLN 28 11.475 -1.144 2.409
206 HE22 GLN 28 2HE2 GLN 28 12.920 -1.601 3.174
207 H SER 29 H SER 29 9.933 1.451 0.011
208 HA SER 29 HA SER 29 7.570 3.190 0.544
209 HB2 SER 29 2HB SER 29 7.750 0.773 -1.259
210 HB3 SER 29 1HB SER 29 6.512 2.020 -1.278
211 HG SER 29 HG SER 29 9.100 2.923 -1.550
212 H SER 30 H SER 30 5.655 2.190 1.547
213 HA SER 30 HA SER 30 5.954 -0.537 2.505
214 HB2 SER 30 2HB SER 30 7.025 0.622 4.304
215 HB3 SER 30 1HB SER 30 5.746 1.833 4.348
216 HG SER 30 HG SER 30 4.311 0.118 4.935
217 H CYS 31 H CYS 31 4.022 -1.591 2.453
218 HA CYS 31 HA CYS 31 1.641 -0.153 1.662
219 HB2 CYS 31 2HB CYS 31 2.464 -2.934 1.901
220 HB3 CYS 31 1HB CYS 31 0.824 -2.695 2.479
221 H GLU 32 H GLU 32 -0.442 -0.227 2.828
222 HA GLU 32 HA GLU 32 -0.265 -0.710 5.729
223 HB2 GLU 32 2HB GLU 32 -0.723 1.422 6.490
224 HB3 GLU 32 1HB GLU 32 0.343 1.761 5.134
225 HG2 GLU 32 2HG GLU 32 -1.357 2.597 3.823
226 HG3 GLU 32 1HG GLU 32 -2.583 1.597 4.595
227 H ARG 33 H ARG 33 -2.356 -0.735 6.789
228 HA ARG 33 HA ARG 33 -4.291 -2.219 5.348
229 HB2 ARG 33 2HB ARG 33 -5.293 -2.506 7.371
230 HB3 ARG 33 1HB ARG 33 -3.777 -1.843 7.952
231 HG2 ARG 33 2HG ARG 33 -6.205 -0.119 7.380
232 HG3 ARG 33 1HG ARG 33 -5.885 -0.832 8.949
233 HD2 ARG 33 2HD ARG 33 -3.504 0.306 8.621
234 HD3 ARG 33 1HD ARG 33 -4.406 1.361 7.544
235 HE ARG 33 HE ARG 33 -6.003 1.427 9.720
236 HH11 ARG 33 1HH2 ARG 33 -2.570 1.580 9.387
237 HH12 ARG 33 2HH2 ARG 33 -2.349 2.569 10.790
238 HH21 ARG 33 2HH1 ARG 33 -5.723 2.721 11.552
239 HH22 ARG 33 1HH1 ARG 33 -4.128 3.215 12.012
240 H LYS 34 H LYS 34 -6.039 -1.682 4.182
241 HA LYS 34 HA LYS 34 -7.286 0.927 4.430
242 HB2 LYS 34 2HB LYS 34 -5.933 0.050 1.890
243 HB3 LYS 34 1HB LYS 34 -7.215 1.213 1.878
244 HG2 LYS 34 2HG LYS 34 -5.261 1.909 3.898
245 HG3 LYS 34 1HG LYS 34 -4.442 1.632 2.371
246 HD2 LYS 34 2HD LYS 34 -6.914 3.356 2.520
247 HD3 LYS 34 1HD LYS 34 -5.321 4.016 2.876
248 HE2 LYS 34 2HE LYS 34 -4.522 3.327 0.657
249 HE3 LYS 34 1HE LYS 34 -6.098 2.627 0.291
250 HZ1 LYS 34 3HZ LYS 34 -5.612 5.479 0.954
251 HZ2 LYS 34 1HZ LYS 34 -7.089 4.792 0.486
252 HZ3 LYS 34 2HZ LYS 34 -5.802 4.872 -0.622
253 H TRP 35 H TRP 35 -8.157 -1.676 5.083
254 HA TRP 35 HA TRP 35 -10.049 -3.031 4.834
255 HB2 TRP 35 2HB TRP 35 -10.960 -0.992 2.787
256 HB3 TRP 35 1HB TRP 35 -11.967 -2.100 3.715
257 HD1 TRP 35 HD TRP 35 -9.644 -1.187 6.220
258 HE1 TRP 35 1HE TRP 35 -10.414 0.834 7.621
259 HE3 TRP 35 3HE TRP 35 -13.277 0.663 3.165
260 HZ2 TRP 35 2HZ TRP 35 -12.331 2.949 7.467
261 HZ3 TRP 35 3HZ TRP 35 -14.568 2.676 3.808
262 HH2 TRP 35 HH TRP 35 -14.098 3.825 5.954
263 H LYS 36 H LYS 36 -11.544 -3.689 2.495
264 HA LYS 36 HA LYS 36 -9.776 -4.264 0.286
265 HB2 LYS 36 2HB LYS 36 -9.750 -6.779 0.720
266 HB3 LYS 36 1HB LYS 36 -8.695 -5.804 1.731
267 HG2 LYS 36 2HG LYS 36 -9.661 -6.892 3.475
268 HG3 LYS 36 1HG LYS 36 -10.999 -5.780 3.222
269 HD2 LYS 36 2HD LYS 36 -12.199 -7.722 3.089
270 HD3 LYS 36 1HD LYS 36 -11.664 -7.690 1.412
271 HE2 LYS 36 2HE LYS 36 -10.524 -9.275 3.715
272 HE3 LYS 36 1HE LYS 36 -11.165 -9.879 2.188
273 HZ1 LYS 36 3HZ LYS 36 -8.594 -8.560 2.730
274 HZ2 LYS 36 1HZ LYS 36 -9.283 -8.447 1.184
275 HZ3 LYS 36 2HZ LYS 36 -8.916 -9.969 1.839
276 H TYR 37 H TYR 37 -12.677 -3.480 1.047
277 HA TYR 37 HA TYR 37 -13.943 -5.490 -0.852
278 HB2 TYR 37 2HB TYR 37 -14.615 -5.014 1.899
279 HB3 TYR 37 1HB TYR 37 -15.947 -4.434 0.905
280 HD1 TYR 37 1HD TYR 37 -13.936 -7.385 1.847
281 HD2 TYR 37 2HD TYR 37 -17.262 -5.959 -0.461
282 HE1 TYR 37 1HE TYR 37 -14.689 -9.721 1.496
283 HE2 TYR 37 2HE TYR 37 -18.016 -8.294 -0.816
284 HH TYR 37 HH TYR 37 -16.070 -11.038 0.256
285 H LEU 38 H LEU 38 -13.201 -2.287 -0.209
286 HA LEU 38 HA LEU 38 -15.472 -0.928 -1.198
287 HB2 LEU 38 2HB LEU 38 -12.583 -0.266 -0.864
288 HB3 LEU 38 1HB LEU 38 -13.580 0.823 -1.825
289 HG LEU 38 HG LEU 38 -13.358 1.237 0.747
290 HD11 LEU 38 1HD1 LEU 38 -15.801 1.342 -0.981
291 HD12 LEU 38 2HD1 LEU 38 -14.843 2.660 -0.309
292 HD13 LEU 38 3HD1 LEU 38 -15.960 1.767 0.723
293 HD21 LEU 38 3HD2 LEU 38 -15.553 -0.869 0.732
294 HD22 LEU 38 1HD2 LEU 38 -15.016 0.071 2.115
295 HD23 LEU 38 2HD2 LEU 38 -13.937 -1.115 1.386
296 H PHE 39 H PHE 39 -12.576 -2.078 -2.970
297 HA PHE 39 HA PHE 39 -13.420 -1.004 -5.482
298 HB2 PHE 39 2HB PHE 39 -11.641 -3.332 -4.759
299 HB3 PHE 39 1HB PHE 39 -12.040 -2.986 -6.439
300 HD1 PHE 39 1HD PHE 39 -11.911 -0.269 -6.949
301 HD2 PHE 39 2HD PHE 39 -9.605 -2.448 -4.048
302 HE1 PHE 39 1HE PHE 39 -10.154 1.477 -7.032
303 HE2 PHE 39 2HE PHE 39 -7.852 -0.700 -4.133
304 HZ PHE 39 HZ PHE 39 -8.124 1.261 -5.625
305 H THR 40 H THR 40 -13.166 -4.247 -6.146
306 HA THR 40 HA THR 40 -15.975 -4.970 -5.725
307 HB THR 40 HB THR 40 -16.376 -5.284 -8.202
308 HG1 THR 40 1HG THR 40 -14.825 -4.825 -9.522
309 HG21 THR 40 3HG2 THR 40 -17.154 -3.263 -6.836
310 HG22 THR 40 1HG2 THR 40 -17.055 -3.029 -8.581
311 HG23 THR 40 2HG2 THR 40 -15.787 -2.394 -7.536
312 H GLY 41 H GLY 41 -16.181 -7.225 -5.774
313 HA2 GLY 41 2HA GLY 41 -15.336 -9.428 -5.624
314 HA3 GLY 41 1HA GLY 41 -14.784 -9.101 -7.267
315 H GLU 42 H GLU 42 -13.812 -9.283 -3.911
316 HA GLU 42 HA GLU 42 -11.675 -9.395 -2.955
317 HB2 GLU 42 2HB GLU 42 -10.415 -10.855 -4.146
318 HB3 GLU 42 1HB GLU 42 -11.483 -10.613 -5.521
319 HG2 GLU 42 2HG GLU 42 -10.107 -8.696 -6.257
320 HG3 GLU 42 1HG GLU 42 -9.037 -8.935 -4.877
321 H CYS 43 H CYS 43 -9.667 -8.043 -2.763
322 HA CYS 43 HA CYS 43 -10.225 -5.292 -3.159
323 HB2 CYS 43 2HB CYS 43 -8.338 -4.975 -1.941
324 HB3 CYS 43 1HB CYS 43 -8.244 -6.731 -1.835
325 HXT CYS 43 2HT CYS 43 -7.469 -6.660 -4.978
Start of MODEL 8
1 H1 CYS 1 1H CYS 1 4.792 -8.019 -2.077
2 H2 CYS 1 2H CYS 1 5.193 -9.376 -1.168
3 H3 CYS 1 3H CYS 1 4.395 -9.554 -2.638
4 HA CYS 1 HA CYS 1 2.440 -8.454 -1.758
5 HB2 CYS 1 2HB CYS 1 3.574 -10.967 -0.753
6 HB3 CYS 1 1HB CYS 1 2.372 -10.269 0.329
7 H GLY 2 H GLY 2 4.199 -6.520 -0.804
8 HA2 GLY 2 2HA GLY 2 4.655 -6.440 1.980
9 HA3 GLY 2 1HA GLY 2 4.344 -5.008 1.002
10 H SER 3 H SER 3 3.240 -6.581 3.640
11 HA SER 3 HA SER 3 0.353 -6.042 3.121
12 HB2 SER 3 2HB SER 3 0.718 -8.231 4.011
13 HB3 SER 3 1HB SER 3 1.816 -7.623 5.246
14 HG SER 3 HG SER 3 -0.584 -8.082 5.700
15 H LYS 4 H LYS 4 -0.512 -5.518 5.732
16 HA LYS 4 HA LYS 4 -0.306 -2.795 6.042
17 HB2 LYS 4 2HB LYS 4 -1.288 -4.844 7.662
18 HB3 LYS 4 1HB LYS 4 -0.055 -4.097 8.671
19 HG2 LYS 4 2HG LYS 4 -1.434 -1.917 7.548
20 HG3 LYS 4 1HG LYS 4 -2.697 -3.080 7.936
21 HD2 LYS 4 2HD LYS 4 -0.569 -2.079 9.849
22 HD3 LYS 4 1HD LYS 4 -2.259 -1.582 9.840
23 HE2 LYS 4 2HE LYS 4 -2.762 -4.134 10.080
24 HE3 LYS 4 1HE LYS 4 -1.082 -4.246 10.601
25 HZ1 LYS 4 3HZ LYS 4 -1.645 -2.376 12.180
26 HZ2 LYS 4 1HZ LYS 4 -2.299 -3.898 12.544
27 HZ3 LYS 4 2HZ LYS 4 -3.276 -2.702 11.837
28 H ARG 5 H ARG 5 1.449 -1.504 6.113
29 HA ARG 5 HA ARG 5 3.590 -0.736 6.661
30 HB2 ARG 5 2HB ARG 5 2.463 -1.667 8.994
31 HB3 ARG 5 1HB ARG 5 3.939 -2.622 8.919
32 HG2 ARG 5 2HG ARG 5 5.042 -0.272 8.348
33 HG3 ARG 5 1HG ARG 5 3.610 0.346 9.178
34 HD2 ARG 5 2HD ARG 5 5.636 -1.616 10.279
35 HD3 ARG 5 1HD ARG 5 5.389 0.048 10.805
36 HE ARG 5 HE ARG 5 3.077 -0.697 11.554
37 HH11 ARG 5 1HH2 ARG 5 5.636 -2.978 11.064
38 HH12 ARG 5 2HH2 ARG 5 4.986 -4.134 12.173
39 HH21 ARG 5 2HH1 ARG 5 2.227 -2.216 12.998
40 HH22 ARG 5 1HH1 ARG 5 3.066 -3.709 13.260
41 H ALA 6 H ALA 6 4.473 -1.764 4.743
42 HA ALA 6 HA ALA 6 6.626 -3.582 5.270
43 HB1 ALA 6 1HB ALA 6 5.670 -5.525 3.912
44 HB2 ALA 6 2HB ALA 6 4.092 -4.775 4.137
45 HB3 ALA 6 3HB ALA 6 5.015 -5.321 5.536
46 H TRP 7 H TRP 7 8.046 -3.523 3.617
47 HA TRP 7 HA TRP 7 8.013 -1.651 1.597
48 HB2 TRP 7 2HB TRP 7 10.059 -2.749 2.127
49 HB3 TRP 7 1HB TRP 7 9.395 -4.330 1.711
50 HD1 TRP 7 HD TRP 7 9.953 -0.939 -0.076
51 HE1 TRP 7 1HE TRP 7 10.685 -1.426 -2.498
52 HE3 TRP 7 3HE TRP 7 9.785 -6.040 -0.033
53 HZ2 TRP 7 2HZ TRP 7 11.134 -3.681 -4.197
54 HZ3 TRP 7 3HZ TRP 7 10.372 -7.333 -2.065
55 HH2 TRP 7 HH TRP 7 11.046 -6.161 -4.143
56 H CYS 8 H CYS 8 7.213 -1.446 -0.444
57 HA CYS 8 HA CYS 8 5.919 -3.840 -1.730
58 HB2 CYS 8 2HB CYS 8 4.177 -2.167 -2.606
59 HB3 CYS 8 1HB CYS 8 4.053 -2.663 -0.932
60 H LYS 9 H LYS 9 5.947 -3.715 -4.088
61 HA LYS 9 HA LYS 9 8.048 -1.899 -5.137
62 HB2 LYS 9 2HB LYS 9 6.956 -4.529 -5.849
63 HB3 LYS 9 1HB LYS 9 7.115 -3.473 -7.235
64 HG2 LYS 9 2HG LYS 9 9.485 -3.003 -6.497
65 HG3 LYS 9 1HG LYS 9 9.281 -4.290 -5.310
66 HD2 LYS 9 2HD LYS 9 8.652 -4.820 -8.205
67 HD3 LYS 9 1HD LYS 9 10.324 -4.863 -7.647
68 HE2 LYS 9 2HE LYS 9 9.859 -6.616 -6.088
69 HE3 LYS 9 1HE LYS 9 8.116 -6.433 -6.292
70 HZ1 LYS 9 3HZ LYS 9 9.541 -8.250 -7.585
71 HZ2 LYS 9 1HZ LYS 9 9.656 -6.978 -8.699
72 HZ3 LYS 9 2HZ LYS 9 8.130 -7.558 -8.230
73 H GLU 10 H GLU 10 4.731 -2.902 -5.839
74 HA GLU 10 HA GLU 10 4.124 -0.196 -6.901
75 HB2 GLU 10 2HB GLU 10 3.307 -2.804 -8.241
76 HB3 GLU 10 1HB GLU 10 2.832 -1.190 -8.754
77 HG2 GLU 10 2HG GLU 10 4.637 -1.366 -10.147
78 HG3 GLU 10 1HG GLU 10 5.546 -0.903 -8.709
79 H LYS 11 H LYS 11 1.508 -0.235 -7.228
80 HA LYS 11 HA LYS 11 0.396 -0.663 -4.626
81 HB2 LYS 11 2HB LYS 11 -0.574 0.879 -6.364
82 HB3 LYS 11 1HB LYS 11 -1.115 -0.543 -7.255
83 HG2 LYS 11 2HG LYS 11 -2.512 -1.248 -5.396
84 HG3 LYS 11 1HG LYS 11 -1.888 0.055 -4.384
85 HD2 LYS 11 2HD LYS 11 -2.960 1.019 -6.946
86 HD3 LYS 11 1HD LYS 11 -4.173 0.200 -5.963
87 HE2 LYS 11 2HE LYS 11 -3.927 2.703 -5.550
88 HE3 LYS 11 1HE LYS 11 -3.810 1.680 -4.118
89 HZ1 LYS 11 3HZ LYS 11 -1.682 3.112 -5.554
90 HZ2 LYS 11 1HZ LYS 11 -1.299 1.707 -4.685
91 HZ3 LYS 11 2HZ LYS 11 -1.992 3.037 -3.886
92 H LYS 12 H LYS 12 0.270 -2.570 -7.612
93 HA LYS 12 HA LYS 12 -1.366 -4.664 -6.580
94 HB2 LYS 12 2HB LYS 12 -1.100 -5.541 -8.670
95 HB3 LYS 12 1HB LYS 12 -0.478 -3.941 -9.026
96 HG2 LYS 12 2HG LYS 12 1.819 -5.049 -8.205
97 HG3 LYS 12 1HG LYS 12 1.004 -6.527 -8.715
98 HD2 LYS 12 2HD LYS 12 1.324 -4.060 -10.450
99 HD3 LYS 12 1HD LYS 12 2.385 -5.461 -10.515
100 HE2 LYS 12 2HE LYS 12 0.705 -6.853 -11.386
101 HE3 LYS 12 1HE LYS 12 -0.593 -5.788 -10.848
102 HZ1 LYS 12 3HZ LYS 12 -0.537 -4.884 -12.857
103 HZ2 LYS 12 1HZ LYS 12 0.856 -5.749 -13.287
104 HZ3 LYS 12 2HZ LYS 12 0.997 -4.257 -12.490
105 H ASP 13 H ASP 13 2.005 -3.892 -6.210
106 HA ASP 13 HA ASP 13 2.951 -6.529 -5.572
107 HB2 ASP 13 2HB ASP 13 4.406 -4.564 -6.149
108 HB3 ASP 13 1HB ASP 13 4.087 -3.930 -4.528
109 H CYS 14 H CYS 14 0.966 -4.347 -3.770
110 HA CYS 14 HA CYS 14 1.786 -5.425 -1.175
111 HB2 CYS 14 2HB CYS 14 -0.431 -3.584 -2.112
112 HB3 CYS 14 1HB CYS 14 -0.220 -4.061 -0.447
113 H CYS 15 H CYS 15 0.960 -7.219 -0.348
114 HA CYS 15 HA CYS 15 -0.746 -8.950 -1.804
115 HB2 CYS 15 2HB CYS 15 0.640 -9.080 0.640
116 HB3 CYS 15 1HB CYS 15 -1.039 -9.435 1.035
117 H CYS 16 H CYS 16 -2.684 -9.846 -0.148
118 HA CYS 16 HA CYS 16 -5.068 -9.399 -0.300
119 HB2 CYS 16 2HB CYS 16 -4.117 -9.487 2.042
120 HB3 CYS 16 1HB CYS 16 -4.186 -7.732 2.018
121 H GLY 17 H GLY 17 -5.877 -6.958 1.169
122 HA2 GLY 17 2HA GLY 17 -6.200 -5.249 -1.212
123 HA3 GLY 17 1HA GLY 17 -7.201 -5.187 0.233
124 H TYR 18 H TYR 18 -3.708 -5.322 0.243
125 HA TYR 18 HA TYR 18 -3.702 -2.736 1.758
126 HB2 TYR 18 2HB TYR 18 -1.568 -4.760 1.072
127 HB3 TYR 18 1HB TYR 18 -1.267 -3.311 2.017
128 HD1 TYR 18 1HD TYR 18 -2.825 -2.951 4.109
129 HD2 TYR 18 2HD TYR 18 -2.286 -6.690 2.091
130 HE1 TYR 18 1HE TYR 18 -3.575 -4.153 6.150
131 HE2 TYR 18 2HE TYR 18 -3.016 -7.903 4.132
132 HH TYR 18 HH TYR 18 -3.481 -7.695 6.323
133 H ASN 19 H ASN 19 -2.727 -0.842 1.000
134 HA ASN 19 HA ASN 19 -2.157 -0.760 -1.926
135 HB2 ASN 19 2HB ASN 19 -3.663 0.950 -1.564
136 HB3 ASN 19 1HB ASN 19 -3.159 1.175 0.110
137 HD21 ASN 19 1HD2 ASN 19 -1.978 3.059 0.464
138 HD22 ASN 19 2HD2 ASN 19 -1.069 3.879 -0.711
139 H CYS 20 H CYS 20 -0.237 0.406 -2.678
140 HA CYS 20 HA CYS 20 2.042 0.109 -0.805
141 HB2 CYS 20 2HB CYS 20 2.271 -0.775 -3.099
142 HB3 CYS 20 1HB CYS 20 1.986 0.839 -3.746
143 H VAL 21 H VAL 21 3.203 1.855 -0.060
144 HA VAL 21 HA VAL 21 2.350 4.588 -0.884
145 HB VAL 21 HB VAL 21 1.769 3.422 1.582
146 HG11 VAL 21 1HG1 VAL 21 4.189 3.639 2.189
147 HG12 VAL 21 2HG1 VAL 21 3.125 4.577 3.234
148 HG13 VAL 21 3HG1 VAL 21 4.049 5.387 1.971
149 HG21 VAL 21 3HG2 VAL 21 1.193 5.782 2.239
150 HG22 VAL 21 1HG2 VAL 21 0.576 5.313 0.656
151 HG23 VAL 21 2HG2 VAL 21 2.008 6.335 0.776
152 H TYR 22 H TYR 22 4.016 6.303 -0.326
153 HA TYR 22 HA TYR 22 6.784 5.057 -0.547
154 HB2 TYR 22 2HB TYR 22 6.099 6.304 -2.550
155 HB3 TYR 22 1HB TYR 22 5.790 7.731 -1.560
156 HD1 TYR 22 1HD TYR 22 8.501 5.231 -2.245
157 HD2 TYR 22 2HD TYR 22 7.509 9.299 -1.279
158 HE1 TYR 22 1HE TYR 22 10.896 5.855 -2.407
159 HE2 TYR 22 2HE TYR 22 9.903 9.920 -1.441
160 HH TYR 22 HH TYR 22 12.191 8.510 -1.149
161 H ALA 23 H ALA 23 8.261 5.566 0.996
162 HA ALA 23 HA ALA 23 7.516 7.665 3.001
163 HB1 ALA 23 1HB ALA 23 9.170 6.437 4.475
164 HB2 ALA 23 2HB ALA 23 9.242 5.187 3.232
165 HB3 ALA 23 3HB ALA 23 7.721 5.518 4.063
166 H TRP 24 H TRP 24 8.829 9.392 3.231
167 HA TRP 24 HA TRP 24 10.852 10.058 1.373
168 HB2 TRP 24 2HB TRP 24 10.129 11.956 2.425
169 HB3 TRP 24 1HB TRP 24 9.874 11.128 3.961
170 HD1 TRP 24 HD TRP 24 11.888 10.906 5.611
171 HE1 TRP 24 1HE TRP 24 14.159 12.122 5.777
172 HE3 TRP 24 3HE TRP 24 12.070 13.070 0.989
173 HZ2 TRP 24 2HZ TRP 24 15.829 13.788 4.160
174 HZ3 TRP 24 3HZ TRP 24 14.012 14.461 0.327
175 HH2 TRP 24 HH TRP 24 15.890 14.823 1.905
176 H TYR 25 H TYR 25 11.199 8.757 4.726
177 HA TYR 25 HA TYR 25 14.135 8.819 4.507
178 HB2 TYR 25 2HB TYR 25 12.289 8.456 6.570
179 HB3 TYR 25 1HB TYR 25 13.094 6.893 6.447
180 HD1 TYR 25 2HD TYR 25 15.687 6.893 6.366
181 HD2 TYR 25 1HD TYR 25 13.351 10.265 7.640
182 HE1 TYR 25 2HE TYR 25 17.673 7.832 7.521
183 HE2 TYR 25 1HE TYR 25 15.335 11.203 8.794
184 HH TYR 25 HH TYR 25 17.912 10.972 8.509
185 H ASN 26 H ASN 26 15.546 7.198 3.966
186 HA ASN 26 HA ASN 26 16.305 5.272 2.881
187 HB2 ASN 26 2HB ASN 26 13.936 4.220 4.428
188 HB3 ASN 26 1HB ASN 26 14.926 3.162 3.421
189 HD21 ASN 26 1HD2 ASN 26 17.346 3.235 3.903
190 HD22 ASN 26 2HD2 ASN 26 17.816 3.462 5.515
191 H GLN 27 H GLN 27 14.270 7.063 1.567
192 HA GLN 27 HA GLN 27 12.583 6.859 -0.166
193 HB2 GLN 27 2HB GLN 27 15.013 5.506 -1.365
194 HB3 GLN 27 1HB GLN 27 13.813 6.493 -2.200
195 HG2 GLN 27 2HG GLN 27 15.563 7.567 0.029
196 HG3 GLN 27 1HG GLN 27 16.003 7.676 -1.675
197 HE21 GLN 27 1HE2 GLN 27 14.228 9.226 0.819
198 HE22 GLN 27 2HE2 GLN 27 13.369 10.319 -0.157
199 H GLN 28 H GLN 28 11.943 4.772 1.518
200 HA GLN 28 HA GLN 28 11.775 2.379 -0.279
201 HB2 GLN 28 2HB GLN 28 12.996 2.284 2.028
202 HB3 GLN 28 1HB GLN 28 11.368 2.322 2.709
203 HG2 GLN 28 2HG GLN 28 10.760 0.280 1.678
204 HG3 GLN 28 1HG GLN 28 12.126 0.337 0.562
205 HE21 GLN 28 1HE2 GLN 28 11.968 0.769 4.141
206 HE22 GLN 28 2HE2 GLN 28 13.112 -0.438 4.482
207 H SER 29 H SER 29 9.744 1.470 -0.657
208 HA SER 29 HA SER 29 7.412 3.122 0.114
209 HB2 SER 29 2HB SER 29 7.542 0.721 -1.724
210 HB3 SER 29 1HB SER 29 6.201 1.844 -1.567
211 HG SER 29 HG SER 29 8.803 2.713 -2.237
212 H SER 30 H SER 30 5.684 2.323 1.384
213 HA SER 30 HA SER 30 5.996 -0.389 2.489
214 HB2 SER 30 2HB SER 30 6.755 1.166 4.185
215 HB3 SER 30 1HB SER 30 5.300 2.138 3.982
216 HG SER 30 HG SER 30 4.767 0.871 5.636
217 H CYS 31 H CYS 31 4.147 -1.614 2.488
218 HA CYS 31 HA CYS 31 1.768 -0.627 1.189
219 HB2 CYS 31 2HB CYS 31 2.259 -3.176 2.734
220 HB3 CYS 31 1HB CYS 31 0.797 -2.842 1.818
221 H GLU 32 H GLU 32 -0.243 -0.106 2.067
222 HA GLU 32 HA GLU 32 -0.712 -0.324 4.947
223 HB2 GLU 32 2HB GLU 32 -0.711 1.900 5.512
224 HB3 GLU 32 1HB GLU 32 0.507 1.957 4.242
225 HG2 GLU 32 2HG GLU 32 -1.111 2.708 2.623
226 HG3 GLU 32 1HG GLU 32 -2.433 2.409 3.747
227 H ARG 33 H ARG 33 -2.862 -0.639 5.344
228 HA ARG 33 HA ARG 33 -4.638 -1.215 3.210
229 HB2 ARG 33 2HB ARG 33 -5.053 -2.163 5.380
230 HB3 ARG 33 1HB ARG 33 -5.181 -0.567 6.115
231 HG2 ARG 33 2HG ARG 33 -7.030 -1.054 3.839
232 HG3 ARG 33 1HG ARG 33 -7.338 -2.035 5.271
233 HD2 ARG 33 2HD ARG 33 -7.254 0.986 5.091
234 HD3 ARG 33 1HD ARG 33 -8.626 -0.028 5.525
235 HE ARG 33 HE ARG 33 -6.411 0.728 7.293
236 HH11 ARG 33 1HH2 ARG 33 -9.000 -1.442 6.589
237 HH12 ARG 33 2HH2 ARG 33 -9.219 -1.920 8.240
238 HH21 ARG 33 2HH1 ARG 33 -6.682 0.123 9.440
239 HH22 ARG 33 1HH1 ARG 33 -7.903 -1.035 9.857
240 H LYS 34 H LYS 34 -6.290 -0.026 2.230
241 HA LYS 34 HA LYS 34 -7.236 2.475 3.095
242 HB2 LYS 34 2HB LYS 34 -4.824 2.539 1.368
243 HB3 LYS 34 1HB LYS 34 -6.110 3.672 0.964
244 HG2 LYS 34 2HG LYS 34 -5.817 3.794 3.792
245 HG3 LYS 34 1HG LYS 34 -4.187 3.801 3.132
246 HD2 LYS 34 2HD LYS 34 -4.486 5.828 2.051
247 HD3 LYS 34 1HD LYS 34 -6.223 5.591 1.852
248 HE2 LYS 34 2HE LYS 34 -4.921 6.050 4.545
249 HE3 LYS 34 1HE LYS 34 -5.595 7.350 3.562
250 HZ1 LYS 34 3HZ LYS 34 -7.733 6.408 3.682
251 HZ2 LYS 34 1HZ LYS 34 -7.128 6.353 5.267
252 HZ3 LYS 34 2HZ LYS 34 -7.150 4.943 4.318
253 H TRP 35 H TRP 35 -6.356 1.832 -0.215
254 HA TRP 35 HA TRP 35 -9.273 1.472 -0.819
255 HB2 TRP 35 2HB TRP 35 -7.078 2.419 -2.687
256 HB3 TRP 35 1HB TRP 35 -8.786 2.294 -3.072
257 HD1 TRP 35 HD TRP 35 -9.226 3.538 0.154
258 HE1 TRP 35 1HE TRP 35 -9.244 6.115 0.268
259 HE3 TRP 35 3HE TRP 35 -7.061 4.632 -4.336
260 HZ2 TRP 35 2HZ TRP 35 -8.442 8.348 -1.341
261 HZ3 TRP 35 3HZ TRP 35 -6.700 6.984 -5.024
262 HH2 TRP 35 HH TRP 35 -7.388 8.842 -3.534
263 H LYS 36 H LYS 36 -9.056 0.547 -3.375
264 HA LYS 36 HA LYS 36 -7.246 -1.625 -3.754
265 HB2 LYS 36 2HB LYS 36 -8.873 -2.448 -1.857
266 HB3 LYS 36 1HB LYS 36 -10.025 -2.607 -3.185
267 HG2 LYS 36 2HG LYS 36 -8.065 -3.868 -4.388
268 HG3 LYS 36 1HG LYS 36 -7.425 -4.056 -2.759
269 HD2 LYS 36 2HD LYS 36 -9.441 -5.199 -2.032
270 HD3 LYS 36 1HD LYS 36 -10.225 -4.886 -3.581
271 HE2 LYS 36 2HE LYS 36 -8.164 -6.135 -4.602
272 HE3 LYS 36 1HE LYS 36 -7.949 -6.765 -2.968
273 HZ1 LYS 36 3HZ LYS 36 -10.129 -7.229 -4.873
274 HZ2 LYS 36 1HZ LYS 36 -10.492 -7.253 -3.217
275 HZ3 LYS 36 2HZ LYS 36 -9.336 -8.325 -3.847
276 H TYR 37 H TYR 37 -10.651 -0.833 -4.171
277 HA TYR 37 HA TYR 37 -10.466 0.018 -6.880
278 HB2 TYR 37 2HB TYR 37 -10.641 -2.936 -6.541
279 HB3 TYR 37 1HB TYR 37 -11.686 -2.222 -7.765
280 HD1 TYR 37 1HD TYR 37 -10.308 -0.221 -9.146
281 HD2 TYR 37 2HD TYR 37 -8.636 -3.763 -7.372
282 HE1 TYR 37 1HE TYR 37 -8.393 -0.110 -10.720
283 HE2 TYR 37 2HE TYR 37 -6.725 -3.647 -8.944
284 HH TYR 37 HH TYR 37 -6.258 -0.899 -11.079
285 H LEU 38 H LEU 38 -12.264 -1.403 -4.314
286 HA LEU 38 HA LEU 38 -14.319 -0.098 -3.629
287 HB2 LEU 38 2HB LEU 38 -14.582 0.927 -5.878
288 HB3 LEU 38 1HB LEU 38 -15.054 -0.641 -6.530
289 HG LEU 38 HG LEU 38 -17.040 -0.661 -5.111
290 HD11 LEU 38 1HD1 LEU 38 -17.508 1.599 -3.888
291 HD12 LEU 38 2HD1 LEU 38 -15.765 1.839 -3.991
292 HD13 LEU 38 3HD1 LEU 38 -16.414 0.456 -3.111
293 HD21 LEU 38 3HD2 LEU 38 -17.238 0.426 -7.258
294 HD22 LEU 38 1HD2 LEU 38 -16.573 1.922 -6.605
295 HD23 LEU 38 2HD2 LEU 38 -18.160 1.358 -6.078
296 H PHE 39 H PHE 39 -16.625 -1.292 -3.548
297 HA PHE 39 HA PHE 39 -17.508 -3.290 -2.574
298 HB2 PHE 39 2HB PHE 39 -17.661 -3.140 -5.326
299 HB3 PHE 39 1HB PHE 39 -16.964 -4.739 -5.090
300 HD1 PHE 39 2HD PHE 39 -18.123 -6.144 -3.110
301 HD2 PHE 39 1HD PHE 39 -19.975 -2.953 -5.309
302 HE1 PHE 39 2HE PHE 39 -20.361 -7.030 -2.512
303 HE2 PHE 39 1HE PHE 39 -22.211 -3.838 -4.714
304 HZ PHE 39 HZ PHE 39 -22.405 -5.877 -3.316
305 H THR 40 H THR 40 -16.328 -4.366 -1.054
306 HA THR 40 HA THR 40 -15.037 -6.135 -0.187
307 HB THR 40 HB THR 40 -14.013 -6.748 -2.962
308 HG1 THR 40 1HG THR 40 -16.505 -7.337 -1.776
309 HG21 THR 40 3HG2 THR 40 -13.463 -7.831 -0.481
310 HG22 THR 40 1HG2 THR 40 -13.255 -8.672 -2.018
311 HG23 THR 40 2HG2 THR 40 -14.733 -8.897 -1.083
312 H GLY 41 H GLY 41 -14.114 -3.332 -1.346
313 HA2 GLY 41 2HA GLY 41 -11.244 -3.696 -1.619
314 HA3 GLY 41 1HA GLY 41 -12.076 -2.148 -1.467
315 H GLU 42 H GLU 42 -12.722 -4.592 0.920
316 HA GLU 42 HA GLU 42 -11.184 -2.972 2.913
317 HB2 GLU 42 2HB GLU 42 -13.629 -3.164 3.315
318 HB3 GLU 42 1HB GLU 42 -13.472 -4.919 3.358
319 HG2 GLU 42 2HG GLU 42 -13.461 -4.145 5.643
320 HG3 GLU 42 1HG GLU 42 -11.813 -4.632 5.253
321 H CYS 43 H CYS 43 -9.612 -3.963 4.149
322 HA CYS 43 HA CYS 43 -9.412 -6.870 4.336
323 HB2 CYS 43 2HB CYS 43 -8.397 -6.673 2.160
324 HB3 CYS 43 1HB CYS 43 -7.415 -5.303 2.681
325 HXT CYS 43 2HT CYS 43 -8.521 -3.966 6.101
Start of MODEL 9
1 H1 CYS 1 1H CYS 1 5.476 -8.874 -1.869
2 H2 CYS 1 2H CYS 1 4.836 -10.283 -1.208
3 H3 CYS 1 3H CYS 1 4.432 -9.830 -2.776
4 HA CYS 1 HA CYS 1 3.290 -7.891 -1.971
5 HB2 CYS 1 2HB CYS 1 1.368 -9.009 -1.404
6 HB3 CYS 1 1HB CYS 1 2.290 -10.361 -2.025
7 H GLY 2 H GLY 2 3.852 -6.277 -0.579
8 HA2 GLY 2 2HA GLY 2 5.116 -6.775 1.959
9 HA3 GLY 2 1HA GLY 2 4.431 -5.228 1.446
10 H SER 3 H SER 3 4.163 -6.582 4.074
11 HA SER 3 HA SER 3 1.287 -7.325 4.109
12 HB2 SER 3 2HB SER 3 3.109 -8.612 5.390
13 HB3 SER 3 1HB SER 3 3.166 -7.227 6.477
14 HG SER 3 HG SER 3 0.620 -7.989 5.972
15 H LYS 4 H LYS 4 0.264 -6.385 6.343
16 HA LYS 4 HA LYS 4 -0.334 -3.688 5.939
17 HB2 LYS 4 2HB LYS 4 -1.517 -5.236 7.505
18 HB3 LYS 4 1HB LYS 4 -0.152 -5.125 8.610
19 HG2 LYS 4 2HG LYS 4 -0.548 -2.774 8.980
20 HG3 LYS 4 1HG LYS 4 -1.764 -2.728 7.698
21 HD2 LYS 4 2HD LYS 4 -3.327 -3.946 8.945
22 HD3 LYS 4 1HD LYS 4 -2.098 -4.642 9.999
23 HE2 LYS 4 2HE LYS 4 -3.645 -2.718 10.899
24 HE3 LYS 4 1HE LYS 4 -1.928 -2.712 11.297
25 HZ1 LYS 4 3HZ LYS 4 -1.524 -1.190 9.496
26 HZ2 LYS 4 1HZ LYS 4 -2.717 -0.550 10.517
27 HZ3 LYS 4 2HZ LYS 4 -3.157 -1.242 9.030
28 H ARG 5 H ARG 5 0.982 -1.932 5.965
29 HA ARG 5 HA ARG 5 2.810 -0.547 6.446
30 HB2 ARG 5 2HB ARG 5 2.767 -2.110 9.051
31 HB3 ARG 5 1HB ARG 5 3.716 -0.655 8.764
32 HG2 ARG 5 2HG ARG 5 0.701 -0.775 8.478
33 HG3 ARG 5 1HG ARG 5 1.524 -0.240 9.942
34 HD2 ARG 5 2HD ARG 5 2.799 1.360 8.252
35 HD3 ARG 5 1HD ARG 5 1.367 1.093 7.262
36 HE ARG 5 HE ARG 5 0.011 1.995 9.151
37 HH11 ARG 5 1HH2 ARG 5 3.442 2.492 9.162
38 HH12 ARG 5 2HH2 ARG 5 3.362 3.855 10.225
39 HH21 ARG 5 2HH1 ARG 5 -0.086 3.767 10.533
40 HH22 ARG 5 1HH1 ARG 5 1.374 4.575 10.997
41 H ALA 6 H ALA 6 4.071 -1.600 4.763
42 HA ALA 6 HA ALA 6 6.572 -2.691 5.648
43 HB1 ALA 6 1HB ALA 6 4.946 -4.655 6.022
44 HB2 ALA 6 2HB ALA 6 6.397 -4.990 5.082
45 HB3 ALA 6 3HB ALA 6 4.855 -4.753 4.263
46 H TRP 7 H TRP 7 8.054 -2.852 3.973
47 HA TRP 7 HA TRP 7 7.977 -1.252 1.769
48 HB2 TRP 7 2HB TRP 7 10.029 -2.309 2.360
49 HB3 TRP 7 1HB TRP 7 9.352 -3.915 2.107
50 HD1 TRP 7 HD TRP 7 10.660 -0.871 0.194
51 HE1 TRP 7 1HE TRP 7 11.105 -1.563 -2.248
52 HE3 TRP 7 3HE TRP 7 8.695 -5.572 0.257
53 HZ2 TRP 7 2HZ TRP 7 10.680 -3.829 -3.951
54 HZ3 TRP 7 3HZ TRP 7 8.728 -6.979 -1.781
55 HH2 TRP 7 HH TRP 7 9.716 -6.120 -3.881
56 H CYS 8 H CYS 8 7.141 -1.190 -0.215
57 HA CYS 8 HA CYS 8 5.781 -3.631 -1.314
58 HB2 CYS 8 2HB CYS 8 3.997 -2.109 -2.180
59 HB3 CYS 8 1HB CYS 8 4.051 -2.182 -0.428
60 H LYS 9 H LYS 9 5.642 -3.556 -3.723
61 HA LYS 9 HA LYS 9 7.893 -1.981 -4.859
62 HB2 LYS 9 2HB LYS 9 6.849 -4.604 -5.366
63 HB3 LYS 9 1HB LYS 9 6.653 -3.659 -6.837
64 HG2 LYS 9 2HG LYS 9 9.219 -2.970 -5.976
65 HG3 LYS 9 1HG LYS 9 9.111 -4.682 -5.590
66 HD2 LYS 9 2HD LYS 9 8.825 -5.308 -7.819
67 HD3 LYS 9 1HD LYS 9 8.199 -3.728 -8.294
68 HE2 LYS 9 2HE LYS 9 10.483 -2.771 -7.826
69 HE3 LYS 9 1HE LYS 9 11.065 -4.421 -7.602
70 HZ1 LYS 9 3HZ LYS 9 9.904 -3.226 -10.053
71 HZ2 LYS 9 1HZ LYS 9 10.160 -4.891 -9.867
72 HZ3 LYS 9 2HZ LYS 9 11.481 -3.822 -9.835
73 H GLU 10 H GLU 10 4.444 -2.579 -5.328
74 HA GLU 10 HA GLU 10 4.086 0.128 -6.355
75 HB2 GLU 10 2HB GLU 10 2.853 -0.817 -8.430
76 HB3 GLU 10 1HB GLU 10 4.613 -0.758 -8.483
77 HG2 GLU 10 2HG GLU 10 4.835 -3.063 -8.166
78 HG3 GLU 10 1HG GLU 10 3.234 -3.218 -7.446
79 H LYS 11 H LYS 11 1.573 -0.053 -7.332
80 HA LYS 11 HA LYS 11 -0.036 -0.330 -5.005
81 HB2 LYS 11 2HB LYS 11 -0.679 1.119 -6.833
82 HB3 LYS 11 1HB LYS 11 -0.775 -0.249 -7.938
83 HG2 LYS 11 2HG LYS 11 -2.926 -0.581 -7.352
84 HG3 LYS 11 1HG LYS 11 -2.438 -0.843 -5.680
85 HD2 LYS 11 2HD LYS 11 -2.624 1.494 -5.170
86 HD3 LYS 11 1HD LYS 11 -2.841 1.912 -6.871
87 HE2 LYS 11 2HE LYS 11 -4.924 0.432 -6.823
88 HE3 LYS 11 1HE LYS 11 -4.753 0.412 -5.067
89 HZ1 LYS 11 3HZ LYS 11 -5.930 2.290 -5.142
90 HZ2 LYS 11 1HZ LYS 11 -5.659 2.516 -6.801
91 HZ3 LYS 11 2HZ LYS 11 -4.496 3.031 -5.675
92 H LYS 12 H LYS 12 0.358 -2.570 -7.778
93 HA LYS 12 HA LYS 12 -1.539 -4.440 -6.547
94 HB2 LYS 12 2HB LYS 12 -1.089 -3.968 -9.096
95 HB3 LYS 12 1HB LYS 12 0.173 -5.183 -8.891
96 HG2 LYS 12 2HG LYS 12 -1.443 -6.806 -8.082
97 HG3 LYS 12 1HG LYS 12 -2.722 -5.591 -8.084
98 HD2 LYS 12 2HD LYS 12 -2.514 -5.362 -10.528
99 HD3 LYS 12 1HD LYS 12 -1.229 -6.570 -10.534
100 HE2 LYS 12 2HE LYS 12 -3.612 -7.386 -11.093
101 HE3 LYS 12 1HE LYS 12 -2.703 -8.312 -9.897
102 HZ1 LYS 12 3HZ LYS 12 -4.359 -6.086 -8.957
103 HZ2 LYS 12 1HZ LYS 12 -3.989 -7.556 -8.196
104 HZ3 LYS 12 2HZ LYS 12 -5.146 -7.512 -9.439
105 H ASP 13 H ASP 13 1.916 -4.030 -6.449
106 HA ASP 13 HA ASP 13 2.522 -6.791 -5.918
107 HB2 ASP 13 2HB ASP 13 3.965 -4.198 -5.784
108 HB3 ASP 13 1HB ASP 13 4.619 -5.536 -4.870
109 H CYS 14 H CYS 14 0.742 -4.670 -4.046
110 HA CYS 14 HA CYS 14 1.908 -5.529 -1.490
111 HB2 CYS 14 2HB CYS 14 -0.284 -3.646 -2.321
112 HB3 CYS 14 1HB CYS 14 -0.147 -4.186 -0.662
113 H CYS 15 H CYS 15 0.868 -6.953 -0.081
114 HA CYS 15 HA CYS 15 -0.645 -9.050 -1.200
115 HB2 CYS 15 2HB CYS 15 0.329 -8.311 1.405
116 HB3 CYS 15 1HB CYS 15 -1.327 -8.891 1.552
117 H CYS 16 H CYS 16 -2.654 -9.181 -1.836
118 HA CYS 16 HA CYS 16 -4.529 -7.316 -2.247
119 HB2 CYS 16 2HB CYS 16 -5.363 -9.384 -2.837
120 HB3 CYS 16 1HB CYS 16 -4.781 -10.147 -1.363
121 H GLY 17 H GLY 17 -5.688 -5.831 -1.101
122 HA2 GLY 17 2HA GLY 17 -7.054 -5.188 0.814
123 HA3 GLY 17 1HA GLY 17 -6.117 -6.292 1.814
124 H TYR 18 H TYR 18 -3.682 -5.061 0.152
125 HA TYR 18 HA TYR 18 -3.555 -2.554 1.869
126 HB2 TYR 18 2HB TYR 18 -1.301 -4.492 1.302
127 HB3 TYR 18 1HB TYR 18 -1.182 -3.005 2.236
128 HD1 TYR 18 1HD TYR 18 -3.255 -2.831 4.045
129 HD2 TYR 18 2HD TYR 18 -1.406 -6.424 2.600
130 HE1 TYR 18 1HE TYR 18 -3.942 -4.008 6.107
131 HE2 TYR 18 2HE TYR 18 -2.105 -7.610 4.661
132 HH TYR 18 HH TYR 18 -2.661 -6.820 7.133
133 H ASN 19 H ASN 19 -2.500 -0.793 0.988
134 HA ASN 19 HA ASN 19 -2.170 -0.839 -1.967
135 HB2 ASN 19 2HB ASN 19 -3.468 0.926 -0.327
136 HB3 ASN 19 1HB ASN 19 -1.898 1.714 -0.477
137 HD21 ASN 19 1HD2 ASN 19 -1.909 3.183 -2.176
138 HD22 ASN 19 2HD2 ASN 19 -2.740 2.978 -3.642
139 H CYS 20 H CYS 20 -0.405 1.251 -2.312
140 HA CYS 20 HA CYS 20 2.067 0.508 -0.810
141 HB2 CYS 20 2HB CYS 20 2.122 -0.797 -2.876
142 HB3 CYS 20 1HB CYS 20 1.810 0.651 -3.828
143 H VAL 21 H VAL 21 3.185 2.310 -0.202
144 HA VAL 21 HA VAL 21 2.780 4.833 -1.746
145 HB VAL 21 HB VAL 21 2.695 4.746 1.272
146 HG11 VAL 21 1HG1 VAL 21 1.859 6.973 1.077
147 HG12 VAL 21 2HG1 VAL 21 1.562 6.786 -0.652
148 HG13 VAL 21 3HG1 VAL 21 3.216 6.881 -0.046
149 HG21 VAL 21 3HG2 VAL 21 0.824 3.408 0.524
150 HG22 VAL 21 1HG2 VAL 21 0.424 4.580 -0.730
151 HG23 VAL 21 2HG2 VAL 21 0.199 4.995 0.969
152 H TYR 22 H TYR 22 4.469 6.422 -1.452
153 HA TYR 22 HA TYR 22 7.105 5.157 -1.036
154 HB2 TYR 22 2HB TYR 22 6.486 7.043 -2.666
155 HB3 TYR 22 1HB TYR 22 6.533 8.113 -1.267
156 HD1 TYR 22 1HD TYR 22 8.585 5.461 -2.950
157 HD2 TYR 22 2HD TYR 22 8.567 9.109 -0.681
158 HE1 TYR 22 1HE TYR 22 11.052 5.608 -3.167
159 HE2 TYR 22 2HE TYR 22 11.032 9.254 -0.896
160 HH TYR 22 HH TYR 22 12.918 7.910 -1.358
161 H ALA 23 H ALA 23 8.193 5.021 0.882
162 HA ALA 23 HA ALA 23 7.180 6.621 3.192
163 HB1 ALA 23 1HB ALA 23 7.379 4.009 3.164
164 HB2 ALA 23 2HB ALA 23 7.891 4.898 4.599
165 HB3 ALA 23 3HB ALA 23 9.092 4.314 3.447
166 H TRP 24 H TRP 24 8.346 8.469 3.428
167 HA TRP 24 HA TRP 24 10.964 8.973 2.478
168 HB2 TRP 24 2HB TRP 24 10.962 10.886 4.060
169 HB3 TRP 24 1HB TRP 24 9.455 10.776 3.149
170 HD1 TRP 24 HD TRP 24 10.738 9.267 6.510
171 HE1 TRP 24 1HE TRP 24 8.847 9.485 8.238
172 HE3 TRP 24 3HE TRP 24 7.168 11.517 3.633
173 HZ2 TRP 24 2HZ TRP 24 6.173 10.483 8.391
174 HZ3 TRP 24 3HZ TRP 24 4.960 12.092 4.598
175 HH2 TRP 24 HH TRP 24 4.457 11.580 6.971
176 H TYR 25 H TYR 25 10.047 6.881 5.017
177 HA TYR 25 HA TYR 25 12.121 7.464 6.939
178 HB2 TYR 25 2HB TYR 25 10.105 5.852 7.108
179 HB3 TYR 25 1HB TYR 25 11.165 4.667 6.354
180 HD1 TYR 25 2HD TYR 25 11.292 7.243 9.079
181 HD2 TYR 25 1HD TYR 25 12.423 3.302 7.798
182 HE1 TYR 25 2HE TYR 25 12.355 6.831 11.280
183 HE2 TYR 25 1HE TYR 25 13.486 2.892 9.997
184 HH TYR 25 HH TYR 25 13.354 3.715 12.282
185 H ASN 26 H ASN 26 12.228 5.194 4.147
186 HA ASN 26 HA ASN 26 15.151 5.644 4.067
187 HB2 ASN 26 2HB ASN 26 15.391 3.054 3.699
188 HB3 ASN 26 1HB ASN 26 15.330 3.695 5.338
189 HD21 ASN 26 1HD2 ASN 26 12.760 4.031 5.967
190 HD22 ASN 26 2HD2 ASN 26 11.842 2.622 5.734
191 H GLN 27 H GLN 27 13.463 6.712 2.299
192 HA GLN 27 HA GLN 27 12.735 6.707 0.049
193 HB2 GLN 27 2HB GLN 27 15.296 5.195 -0.457
194 HB3 GLN 27 1HB GLN 27 14.550 6.459 -1.437
195 HG2 GLN 27 2HG GLN 27 15.892 6.788 1.258
196 HG3 GLN 27 1HG GLN 27 16.421 7.456 -0.286
197 HE21 GLN 27 1HE2 GLN 27 14.371 7.998 2.456
198 HE22 GLN 27 2HE2 GLN 27 13.639 9.423 1.895
199 H GLN 28 H GLN 28 11.888 4.400 1.634
200 HA GLN 28 HA GLN 28 11.701 2.347 -0.538
201 HB2 GLN 28 2HB GLN 28 12.391 0.820 0.979
202 HB3 GLN 28 1HB GLN 28 12.591 2.107 2.161
203 HG2 GLN 28 2HG GLN 28 10.276 1.865 2.886
204 HG3 GLN 28 1HG GLN 28 9.976 0.671 1.627
205 HE21 GLN 28 1HE2 GLN 28 9.900 0.383 4.654
206 HE22 GLN 28 2HE2 GLN 28 10.948 -0.911 4.986
207 H SER 29 H SER 29 9.616 1.417 -0.853
208 HA SER 29 HA SER 29 7.405 3.184 -0.029
209 HB2 SER 29 2HB SER 29 7.252 0.707 -1.743
210 HB3 SER 29 1HB SER 29 6.110 2.038 -1.675
211 HG SER 29 HG SER 29 8.513 1.807 -3.005
212 H SER 30 H SER 30 5.388 2.183 0.920
213 HA SER 30 HA SER 30 5.885 -0.358 2.298
214 HB2 SER 30 2HB SER 30 6.435 1.623 3.796
215 HB3 SER 30 1HB SER 30 4.720 2.020 3.736
216 HG SER 30 HG SER 30 4.260 0.052 4.680
217 H CYS 31 H CYS 31 4.085 -1.694 2.361
218 HA CYS 31 HA CYS 31 1.734 -0.903 0.889
219 HB2 CYS 31 2HB CYS 31 2.237 -3.318 2.650
220 HB3 CYS 31 1HB CYS 31 0.796 -3.097 1.668
221 H GLU 32 H GLU 32 -0.200 -0.046 1.666
222 HA GLU 32 HA GLU 32 -0.799 -0.265 4.538
223 HB2 GLU 32 2HB GLU 32 -0.643 1.962 5.123
224 HB3 GLU 32 1HB GLU 32 0.680 1.852 3.965
225 HG2 GLU 32 2HG GLU 32 -0.656 2.803 2.220
226 HG3 GLU 32 1HG GLU 32 -2.118 2.648 3.189
227 H ARG 33 H ARG 33 -2.964 -0.064 5.015
228 HA ARG 33 HA ARG 33 -4.863 -0.686 3.019
229 HB2 ARG 33 2HB ARG 33 -6.463 -0.543 4.734
230 HB3 ARG 33 1HB ARG 33 -4.974 -0.879 5.614
231 HG2 ARG 33 2HG ARG 33 -6.281 1.838 5.241
232 HG3 ARG 33 1HG ARG 33 -6.175 0.918 6.739
233 HD2 ARG 33 2HD ARG 33 -3.776 1.972 5.204
234 HD3 ARG 33 1HD ARG 33 -4.477 2.743 6.613
235 HE ARG 33 HE ARG 33 -3.814 0.019 7.230
236 HH11 ARG 33 1HH2 ARG 33 -2.513 3.154 6.609
237 HH12 ARG 33 2HH2 ARG 33 -1.051 2.872 7.495
238 HH21 ARG 33 2HH1 ARG 33 -1.894 -0.365 8.390
239 HH22 ARG 33 1HH1 ARG 33 -0.700 0.886 8.500
240 H LYS 34 H LYS 34 -6.763 0.699 2.343
241 HA LYS 34 HA LYS 34 -6.431 3.557 2.529
242 HB2 LYS 34 2HB LYS 34 -5.402 2.111 0.233
243 HB3 LYS 34 1HB LYS 34 -6.628 3.275 -0.256
244 HG2 LYS 34 2HG LYS 34 -5.409 5.012 1.118
245 HG3 LYS 34 1HG LYS 34 -4.118 3.832 1.349
246 HD2 LYS 34 2HD LYS 34 -3.353 5.002 -0.522
247 HD3 LYS 34 1HD LYS 34 -4.196 3.649 -1.277
248 HE2 LYS 34 2HE LYS 34 -6.274 5.329 -1.098
249 HE3 LYS 34 1HE LYS 34 -4.985 6.530 -1.122
250 HZ1 LYS 34 3HZ LYS 34 -4.518 4.532 -3.072
251 HZ2 LYS 34 1HZ LYS 34 -4.695 6.205 -3.277
252 HZ3 LYS 34 2HZ LYS 34 -6.066 5.201 -3.282
253 H TRP 35 H TRP 35 -8.563 2.407 3.522
254 HA TRP 35 HA TRP 35 -10.904 2.345 3.409
255 HB2 TRP 35 2HB TRP 35 -11.064 3.966 0.950
256 HB3 TRP 35 1HB TRP 35 -11.780 4.258 2.533
257 HD1 TRP 35 HD TRP 35 -9.240 4.354 4.328
258 HE1 TRP 35 1HE TRP 35 -7.545 6.284 4.113
259 HE3 TRP 35 3HE TRP 35 -10.331 5.956 -0.388
260 HZ2 TRP 35 2HZ TRP 35 -6.757 8.248 2.186
261 HZ3 TRP 35 3HZ TRP 35 -9.096 7.852 -1.394
262 HH2 TRP 35 HH TRP 35 -7.309 9.000 -0.114
263 H LYS 36 H LYS 36 -10.270 2.668 -0.070
264 HA LYS 36 HA LYS 36 -10.451 1.144 -1.775
265 HB2 LYS 36 2HB LYS 36 -10.462 -0.657 0.513
266 HB3 LYS 36 1HB LYS 36 -11.583 -1.213 -0.724
267 HG2 LYS 36 2HG LYS 36 -9.447 -2.152 -1.251
268 HG3 LYS 36 1HG LYS 36 -9.715 -0.851 -2.409
269 HD2 LYS 36 2HD LYS 36 -8.466 0.633 -0.652
270 HD3 LYS 36 1HD LYS 36 -7.885 -0.906 -0.018
271 HE2 LYS 36 2HE LYS 36 -6.233 -0.265 -1.584
272 HE3 LYS 36 1HE LYS 36 -7.218 -1.447 -2.447
273 HZ1 LYS 36 3HZ LYS 36 -8.367 0.264 -3.574
274 HZ2 LYS 36 1HZ LYS 36 -6.720 0.651 -3.692
275 HZ3 LYS 36 2HZ LYS 36 -7.707 1.474 -2.582
276 H TYR 37 H TYR 37 -12.515 2.971 -0.695
277 HA TYR 37 HA TYR 37 -14.983 1.491 -1.682
278 HB2 TYR 37 2HB TYR 37 -14.629 3.956 0.041
279 HB3 TYR 37 1HB TYR 37 -16.181 3.505 -0.665
280 HD1 TYR 37 1HD TYR 37 -16.935 1.013 -0.272
281 HD2 TYR 37 2HD TYR 37 -14.026 3.074 2.125
282 HE1 TYR 37 1HE TYR 37 -17.319 -0.594 1.576
283 HE2 TYR 37 2HE TYR 37 -14.408 1.465 3.971
284 HH TYR 37 HH TYR 37 -16.848 -1.116 3.685
285 H LEU 38 H LEU 38 -13.389 2.083 -3.730
286 HA LEU 38 HA LEU 38 -14.863 3.967 -5.273
287 HB2 LEU 38 2HB LEU 38 -12.651 5.384 -5.646
288 HB3 LEU 38 1HB LEU 38 -13.732 5.742 -4.316
289 HG LEU 38 HG LEU 38 -12.038 3.742 -3.300
290 HD11 LEU 38 1HD1 LEU 38 -10.301 3.838 -4.814
291 HD12 LEU 38 2HD1 LEU 38 -9.794 5.089 -3.684
292 HD13 LEU 38 3HD1 LEU 38 -10.576 5.537 -5.198
293 HD21 LEU 38 3HD2 LEU 38 -12.028 5.229 -1.620
294 HD22 LEU 38 1HD2 LEU 38 -12.826 6.400 -2.667
295 HD23 LEU 38 2HD2 LEU 38 -11.069 6.359 -2.572
296 H PHE 39 H PHE 39 -12.496 4.482 -7.078
297 HA PHE 39 HA PHE 39 -12.700 2.208 -8.730
298 HB2 PHE 39 2HB PHE 39 -11.151 4.673 -8.689
299 HB3 PHE 39 1HB PHE 39 -10.207 3.335 -9.337
300 HD1 PHE 39 2HD PHE 39 -11.439 1.807 -11.082
301 HD2 PHE 39 1HD PHE 39 -12.632 5.817 -10.105
302 HE1 PHE 39 2HE PHE 39 -12.659 1.967 -13.233
303 HE2 PHE 39 1HE PHE 39 -13.853 5.976 -12.259
304 HZ PHE 39 HZ PHE 39 -13.865 4.051 -13.822
305 H THR 40 H THR 40 -10.614 2.838 -6.066
306 HA THR 40 HA THR 40 -8.716 1.666 -5.249
307 HB THR 40 HB THR 40 -10.434 0.457 -4.130
308 HG1 THR 40 1HG THR 40 -8.690 -0.763 -3.900
309 HG21 THR 40 3HG2 THR 40 -10.897 -0.952 -6.774
310 HG22 THR 40 1HG2 THR 40 -12.007 0.123 -5.934
311 HG23 THR 40 2HG2 THR 40 -11.623 -1.447 -5.249
312 H GLY 41 H GLY 41 -9.280 -1.359 -6.549
313 HA2 GLY 41 2HA GLY 41 -8.536 -2.118 -8.825
314 HA3 GLY 41 1HA GLY 41 -7.247 -0.917 -8.709
315 H GLU 42 H GLU 42 -7.108 -1.643 -5.727
316 HA GLU 42 HA GLU 42 -5.291 -3.978 -6.097
317 HB2 GLU 42 2HB GLU 42 -4.300 -1.956 -5.101
318 HB3 GLU 42 1HB GLU 42 -5.511 -1.976 -3.827
319 HG2 GLU 42 2HG GLU 42 -4.001 -4.510 -4.196
320 HG3 GLU 42 1HG GLU 42 -3.061 -3.149 -3.591
321 H CYS 43 H CYS 43 -6.748 -5.697 -5.964
322 HA CYS 43 HA CYS 43 -8.435 -7.070 -5.044
323 HB2 CYS 43 2HB CYS 43 -6.310 -7.693 -3.936
324 HB3 CYS 43 1HB CYS 43 -6.656 -6.531 -2.661
325 HXT CYS 43 2HT CYS 43 -8.470 -6.411 -2.004
Start of MODEL 10
1 H1 CYS 1 1H CYS 1 5.601 -10.382 -0.273
2 H2 CYS 1 2H CYS 1 4.159 -11.010 0.322
3 H3 CYS 1 3H CYS 1 4.469 -11.037 -1.330
4 HA CYS 1 HA CYS 1 4.414 -8.619 -1.414
5 HB2 CYS 1 2HB CYS 1 2.020 -8.381 -1.103
6 HB3 CYS 1 1HB CYS 1 2.322 -10.070 -1.714
7 H GLY 2 H GLY 2 4.231 -6.625 -0.249
8 HA2 GLY 2 2HA GLY 2 5.050 -6.754 2.552
9 HA3 GLY 2 1HA GLY 2 4.713 -5.279 1.639
10 H SER 3 H SER 3 3.698 -6.682 4.311
11 HA SER 3 HA SER 3 0.778 -6.362 3.780
12 HB2 SER 3 2HB SER 3 0.437 -7.565 5.867
13 HB3 SER 3 1HB SER 3 1.570 -8.472 4.869
14 HG SER 3 HG SER 3 2.073 -8.006 7.217
15 H LYS 4 H LYS 4 0.440 -5.934 6.759
16 HA LYS 4 HA LYS 4 0.129 -3.149 6.792
17 HB2 LYS 4 2HB LYS 4 -0.459 -5.116 8.552
18 HB3 LYS 4 1HB LYS 4 0.955 -4.441 9.354
19 HG2 LYS 4 2HG LYS 4 -0.060 -2.224 9.385
20 HG3 LYS 4 1HG LYS 4 -1.438 -2.811 8.452
21 HD2 LYS 4 2HD LYS 4 -1.566 -4.575 10.472
22 HD3 LYS 4 1HD LYS 4 -0.769 -3.259 11.331
23 HE2 LYS 4 2HE LYS 4 -3.467 -3.263 9.991
24 HE3 LYS 4 1HE LYS 4 -3.061 -2.828 11.652
25 HZ1 LYS 4 3HZ LYS 4 -1.686 -1.246 9.692
26 HZ2 LYS 4 1HZ LYS 4 -2.564 -0.758 11.059
27 HZ3 LYS 4 2HZ LYS 4 -3.375 -1.087 9.605
28 H ARG 5 H ARG 5 1.639 -1.574 6.628
29 HA ARG 5 HA ARG 5 3.722 -0.531 6.695
30 HB2 ARG 5 2HB ARG 5 3.133 -1.618 9.311
31 HB3 ARG 5 1HB ARG 5 4.872 -1.692 9.031
32 HG2 ARG 5 2HG ARG 5 4.420 0.463 9.998
33 HG3 ARG 5 1HG ARG 5 4.741 0.739 8.286
34 HD2 ARG 5 2HD ARG 5 2.777 2.015 8.834
35 HD3 ARG 5 1HD ARG 5 2.235 0.620 7.905
36 HE ARG 5 HE ARG 5 1.278 -0.307 9.898
37 HH11 ARG 5 1HH2 ARG 5 3.022 2.632 10.404
38 HH12 ARG 5 2HH2 ARG 5 2.354 2.908 11.977
39 HH21 ARG 5 2HH1 ARG 5 0.406 0.043 11.952
40 HH22 ARG 5 1HH1 ARG 5 0.878 1.446 12.853
41 H ALA 6 H ALA 6 4.538 -1.611 4.861
42 HA ALA 6 HA ALA 6 6.952 -3.128 5.278
43 HB1 ALA 6 1HB ALA 6 4.606 -4.706 4.181
44 HB2 ALA 6 2HB ALA 6 5.278 -4.903 5.796
45 HB3 ALA 6 3HB ALA 6 6.255 -5.289 4.384
46 H TRP 7 H TRP 7 8.190 -2.927 3.511
47 HA TRP 7 HA TRP 7 7.750 -1.217 1.411
48 HB2 TRP 7 2HB TRP 7 9.943 -1.857 1.415
49 HB3 TRP 7 1HB TRP 7 9.564 -3.503 1.921
50 HD1 TRP 7 HD TRP 7 9.223 -1.301 -1.213
51 HE1 TRP 7 1HE TRP 7 9.560 -2.791 -3.305
52 HE3 TRP 7 3HE TRP 7 9.753 -5.846 1.029
53 HZ2 TRP 7 2HZ TRP 7 9.990 -5.549 -3.923
54 HZ3 TRP 7 3HZ TRP 7 10.123 -7.889 -0.325
55 HH2 TRP 7 HH TRP 7 10.242 -7.745 -2.799
56 H CYS 8 H CYS 8 7.109 -1.370 -0.727
57 HA CYS 8 HA CYS 8 5.696 -3.881 -1.544
58 HB2 CYS 8 2HB CYS 8 4.491 -1.850 -3.014
59 HB3 CYS 8 1HB CYS 8 3.795 -2.683 -1.645
60 H LYS 9 H LYS 9 5.805 -4.288 -3.817
61 HA LYS 9 HA LYS 9 8.267 -3.280 -5.081
62 HB2 LYS 9 2HB LYS 9 7.693 -5.680 -5.118
63 HB3 LYS 9 1HB LYS 9 6.198 -5.319 -5.966
64 HG2 LYS 9 2HG LYS 9 7.503 -4.429 -7.868
65 HG3 LYS 9 1HG LYS 9 8.995 -4.849 -7.020
66 HD2 LYS 9 2HD LYS 9 8.257 -7.207 -6.899
67 HD3 LYS 9 1HD LYS 9 6.797 -6.787 -7.786
68 HE2 LYS 9 2HE LYS 9 8.178 -6.069 -9.713
69 HE3 LYS 9 1HE LYS 9 9.632 -6.517 -8.818
70 HZ1 LYS 9 3HZ LYS 9 7.551 -8.542 -9.013
71 HZ2 LYS 9 1HZ LYS 9 9.238 -8.711 -9.078
72 HZ3 LYS 9 2HZ LYS 9 8.384 -8.183 -10.449
73 H GLU 10 H GLU 10 4.773 -3.062 -5.423
74 HA GLU 10 HA GLU 10 4.932 -0.616 -6.976
75 HB2 GLU 10 2HB GLU 10 4.065 -3.179 -8.331
76 HB3 GLU 10 1HB GLU 10 3.497 -1.612 -8.887
77 HG2 GLU 10 2HG GLU 10 6.394 -2.513 -8.737
78 HG3 GLU 10 1HG GLU 10 5.436 -2.305 -10.193
79 H LYS 11 H LYS 11 2.433 -0.348 -7.937
80 HA LYS 11 HA LYS 11 0.768 0.048 -5.655
81 HB2 LYS 11 2HB LYS 11 0.481 1.306 -7.725
82 HB3 LYS 11 1HB LYS 11 0.094 -0.171 -8.603
83 HG2 LYS 11 2HG LYS 11 -1.900 -0.470 -7.086
84 HG3 LYS 11 1HG LYS 11 -1.547 1.119 -6.402
85 HD2 LYS 11 2HD LYS 11 -1.813 2.164 -8.587
86 HD3 LYS 11 1HD LYS 11 -2.032 0.588 -9.347
87 HE2 LYS 11 2HE LYS 11 -4.042 0.240 -7.861
88 HE3 LYS 11 1HE LYS 11 -3.871 1.918 -7.340
89 HZ1 LYS 11 3HZ LYS 11 -5.391 1.958 -9.106
90 HZ2 LYS 11 1HZ LYS 11 -4.468 0.894 -10.051
91 HZ3 LYS 11 2HZ LYS 11 -3.927 2.485 -9.791
92 H LYS 12 H LYS 12 0.430 -2.404 -8.266
93 HA LYS 12 HA LYS 12 -1.684 -3.769 -6.749
94 HB2 LYS 12 2HB LYS 12 -1.585 -3.541 -9.298
95 HB3 LYS 12 1HB LYS 12 -0.303 -4.751 -9.260
96 HG2 LYS 12 2HG LYS 12 -1.880 -6.371 -9.208
97 HG3 LYS 12 1HG LYS 12 -2.399 -5.773 -7.635
98 HD2 LYS 12 2HD LYS 12 -4.290 -5.824 -9.204
99 HD3 LYS 12 1HD LYS 12 -3.916 -4.167 -8.735
100 HE2 LYS 12 2HE LYS 12 -4.159 -5.093 -11.352
101 HE3 LYS 12 1HE LYS 12 -3.398 -3.578 -10.866
102 HZ1 LYS 12 3HZ LYS 12 -1.288 -4.583 -10.841
103 HZ2 LYS 12 1HZ LYS 12 -2.017 -5.101 -12.282
104 HZ3 LYS 12 2HZ LYS 12 -1.934 -6.149 -10.948
105 H ASP 13 H ASP 13 1.552 -3.687 -6.391
106 HA ASP 13 HA ASP 13 1.979 -6.566 -6.020
107 HB2 ASP 13 2HB ASP 13 3.626 -4.103 -6.118
108 HB3 ASP 13 1HB ASP 13 4.278 -5.508 -5.302
109 H CYS 14 H CYS 14 0.538 -4.301 -4.054
110 HA CYS 14 HA CYS 14 2.000 -5.006 -1.603
111 HB2 CYS 14 2HB CYS 14 -0.245 -3.192 -2.345
112 HB3 CYS 14 1HB CYS 14 -0.287 -3.842 -0.724
113 H CYS 15 H CYS 15 0.901 -6.261 0.134
114 HA CYS 15 HA CYS 15 -0.189 -8.658 -0.673
115 HB2 CYS 15 2HB CYS 15 -0.707 -7.092 1.865
116 HB3 CYS 15 1HB CYS 15 -1.077 -8.788 1.642
117 H CYS 16 H CYS 16 -2.497 -9.429 -0.297
118 HA CYS 16 HA CYS 16 -4.248 -7.918 -1.939
119 HB2 CYS 16 2HB CYS 16 -4.349 -10.407 -0.388
120 HB3 CYS 16 1HB CYS 16 -5.898 -9.595 -0.544
121 H GLY 17 H GLY 17 -5.629 -6.297 -1.479
122 HA2 GLY 17 2HA GLY 17 -7.106 -4.965 -0.189
123 HA3 GLY 17 1HA GLY 17 -6.709 -5.943 1.226
124 H TYR 18 H TYR 18 -3.879 -5.057 -0.405
125 HA TYR 18 HA TYR 18 -3.562 -2.700 1.481
126 HB2 TYR 18 2HB TYR 18 -1.624 -4.867 0.692
127 HB3 TYR 18 1HB TYR 18 -1.085 -3.335 1.369
128 HD1 TYR 18 2HD TYR 18 -3.105 -6.367 2.018
129 HD2 TYR 18 1HD TYR 18 -1.380 -2.810 3.687
130 HE1 TYR 18 2HE TYR 18 -3.628 -7.184 4.300
131 HE2 TYR 18 1HE TYR 18 -1.911 -3.614 5.964
132 HH TYR 18 HH TYR 18 -2.997 -6.867 6.547
133 H ASN 19 H ASN 19 -2.425 -0.902 0.729
134 HA ASN 19 HA ASN 19 -1.925 -0.812 -2.227
135 HB2 ASN 19 2HB ASN 19 -3.830 0.589 -1.712
136 HB3 ASN 19 1HB ASN 19 -2.987 1.326 -0.352
137 HD21 ASN 19 1HD2 ASN 19 -2.743 3.488 -1.065
138 HD22 ASN 19 2HD2 ASN 19 -1.969 3.918 -2.516
139 H CYS 20 H CYS 20 -0.093 0.618 -2.839
140 HA CYS 20 HA CYS 20 2.057 0.478 -0.807
141 HB2 CYS 20 2HB CYS 20 2.328 -0.274 -3.223
142 HB3 CYS 20 1HB CYS 20 2.280 1.433 -3.666
143 H VAL 21 H VAL 21 2.858 2.200 0.247
144 HA VAL 21 HA VAL 21 2.043 4.946 -0.634
145 HB VAL 21 HB VAL 21 1.841 3.589 1.992
146 HG11 VAL 21 1HG1 VAL 21 3.037 6.364 1.750
147 HG12 VAL 21 2HG1 VAL 21 3.695 4.981 2.625
148 HG13 VAL 21 3HG1 VAL 21 2.240 5.783 3.213
149 HG21 VAL 21 3HG2 VAL 21 0.606 6.079 0.770
150 HG22 VAL 21 1HG2 VAL 21 0.115 5.363 2.303
151 HG23 VAL 21 2HG2 VAL 21 -0.109 4.468 0.799
152 H TYR 22 H TYR 22 3.714 6.360 -0.980
153 HA TYR 22 HA TYR 22 6.426 5.341 -0.994
154 HB2 TYR 22 2HB TYR 22 5.360 7.408 -2.196
155 HB3 TYR 22 1HB TYR 22 5.796 8.275 -0.727
156 HD1 TYR 22 2HD TYR 22 8.344 7.512 0.118
157 HD2 TYR 22 1HD TYR 22 6.891 7.594 -3.920
158 HE1 TYR 22 2HE TYR 22 10.673 7.715 -0.703
159 HE2 TYR 22 1HE TYR 22 9.220 7.808 -4.751
160 HH TYR 22 HH TYR 22 11.929 7.246 -2.798
161 H ALA 23 H ALA 23 7.828 5.075 0.661
162 HA ALA 23 HA ALA 23 7.246 6.467 3.247
163 HB1 ALA 23 1HB ALA 23 7.274 3.827 2.948
164 HB2 ALA 23 2HB ALA 23 7.961 4.575 4.387
165 HB3 ALA 23 3HB ALA 23 9.018 4.052 3.078
166 H TRP 24 H TRP 24 8.596 8.233 3.358
167 HA TRP 24 HA TRP 24 11.015 8.575 1.951
168 HB2 TRP 24 2HB TRP 24 11.317 10.503 3.191
169 HB3 TRP 24 1HB TRP 24 9.604 10.225 3.484
170 HD1 TRP 24 HD TRP 24 8.933 9.089 5.847
171 HE1 TRP 24 1HE TRP 24 10.141 9.112 8.126
172 HE3 TRP 24 3HE TRP 24 13.591 10.564 4.361
173 HZ2 TRP 24 2HZ TRP 24 12.741 9.680 9.177
174 HZ3 TRP 24 3HZ TRP 24 15.411 10.840 6.019
175 HH2 TRP 24 HH TRP 24 14.993 10.400 8.423
176 H TYR 25 H TYR 25 10.394 7.095 5.156
177 HA TYR 25 HA TYR 25 13.260 6.744 5.678
178 HB2 TYR 25 2HB TYR 25 12.624 5.614 7.629
179 HB3 TYR 25 1HB TYR 25 11.289 6.728 7.368
180 HD1 TYR 25 1HD TYR 25 12.369 3.219 7.271
181 HD2 TYR 25 2HD TYR 25 9.095 5.920 6.622
182 HE1 TYR 25 1HE TYR 25 10.796 1.303 7.241
183 HE2 TYR 25 2HE TYR 25 7.520 3.999 6.600
184 HH TYR 25 HH TYR 25 8.173 1.087 6.024
185 H ASN 26 H ASN 26 14.554 4.963 5.284
186 HA ASN 26 HA ASN 26 15.248 2.958 4.272
187 HB2 ASN 26 2HB ASN 26 12.810 2.288 5.292
188 HB3 ASN 26 1HB ASN 26 12.489 2.078 3.574
189 HD21 ASN 26 1HD2 ASN 26 14.804 1.100 6.141
190 HD22 ASN 26 2HD2 ASN 26 15.228 -0.373 5.409
191 H GLN 27 H GLN 27 13.460 5.415 2.890
192 HA GLN 27 HA GLN 27 13.197 6.174 0.715
193 HB2 GLN 27 2HB GLN 27 15.784 5.087 0.895
194 HB3 GLN 27 1HB GLN 27 15.130 4.420 -0.597
195 HG2 GLN 27 2HG GLN 27 15.664 7.287 0.126
196 HG3 GLN 27 1HG GLN 27 16.021 6.426 -1.367
197 HE21 GLN 27 1HE2 GLN 27 13.809 8.586 0.101
198 HE22 GLN 27 2HE2 GLN 27 12.577 8.491 -1.061
199 H GLN 28 H GLN 28 11.983 3.500 1.689
200 HA GLN 28 HA GLN 28 11.268 2.454 -1.026
201 HB2 GLN 28 2HB GLN 28 11.232 1.096 1.686
202 HB3 GLN 28 1HB GLN 28 10.526 0.397 0.228
203 HG2 GLN 28 2HG GLN 28 12.699 0.428 -0.884
204 HG3 GLN 28 1HG GLN 28 13.425 1.225 0.512
205 HE21 GLN 28 1HE2 GLN 28 13.961 -1.544 -0.670
206 HE22 GLN 28 2HE2 GLN 28 13.756 -2.608 0.635
207 H SER 29 H SER 29 8.950 1.219 -0.520
208 HA SER 29 HA SER 29 7.186 3.356 0.620
209 HB2 SER 29 2HB SER 29 6.660 1.497 -1.708
210 HB3 SER 29 1HB SER 29 5.551 2.706 -1.082
211 HG SER 29 HG SER 29 6.545 4.057 -2.336
212 H SER 30 H SER 30 5.625 2.601 2.068
213 HA SER 30 HA SER 30 5.780 -0.245 2.760
214 HB2 SER 30 2HB SER 30 4.978 0.374 4.941
215 HB3 SER 30 1HB SER 30 6.259 1.500 4.500
216 HG SER 30 HG SER 30 4.616 2.777 5.150
217 H CYS 31 H CYS 31 3.978 -1.572 2.763
218 HA CYS 31 HA CYS 31 1.690 -0.708 1.226
219 HB2 CYS 31 2HB CYS 31 2.220 -3.205 2.837
220 HB3 CYS 31 1HB CYS 31 0.737 -2.949 1.937
221 H GLU 32 H GLU 32 -0.473 -0.482 1.983
222 HA GLU 32 HA GLU 32 -0.924 -0.273 4.892
223 HB2 GLU 32 2HB GLU 32 -2.040 2.056 4.329
224 HB3 GLU 32 1HB GLU 32 -0.314 1.959 4.640
225 HG2 GLU 32 2HG GLU 32 -0.328 3.159 2.668
226 HG3 GLU 32 1HG GLU 32 -0.172 1.518 2.052
227 H ARG 33 H ARG 33 -3.417 1.073 4.551
228 HA ARG 33 HA ARG 33 -4.969 -0.456 2.595
229 HB2 ARG 33 2HB ARG 33 -5.268 -2.188 4.046
230 HB3 ARG 33 1HB ARG 33 -4.743 -1.242 5.431
231 HG2 ARG 33 2HG ARG 33 -7.421 -0.642 4.194
232 HG3 ARG 33 1HG ARG 33 -7.256 -2.046 5.241
233 HD2 ARG 33 2HD ARG 33 -5.991 0.362 6.353
234 HD3 ARG 33 1HD ARG 33 -7.729 0.533 6.117
235 HE ARG 33 HE ARG 33 -7.482 -1.938 7.338
236 HH11 ARG 33 1HH2 ARG 33 -6.416 1.275 7.944
237 HH12 ARG 33 2HH2 ARG 33 -6.306 1.063 9.659
238 HH21 ARG 33 2HH1 ARG 33 -7.333 -2.255 9.571
239 HH22 ARG 33 1HH1 ARG 33 -6.824 -0.944 10.584
240 H LYS 34 H LYS 34 -6.531 0.831 1.917
241 HA LYS 34 HA LYS 34 -7.571 2.977 3.642
242 HB2 LYS 34 2HB LYS 34 -7.014 3.132 0.669
243 HB3 LYS 34 1HB LYS 34 -7.578 4.454 1.691
244 HG2 LYS 34 2HG LYS 34 -5.018 3.021 2.367
245 HG3 LYS 34 1HG LYS 34 -5.020 4.276 1.132
246 HD2 LYS 34 2HD LYS 34 -5.767 5.928 2.681
247 HD3 LYS 34 1HD LYS 34 -6.155 4.714 3.900
248 HE2 LYS 34 2HE LYS 34 -3.816 4.175 4.198
249 HE3 LYS 34 1HE LYS 34 -3.361 5.199 2.837
250 HZ1 LYS 34 3HZ LYS 34 -3.123 6.812 4.321
251 HZ2 LYS 34 1HZ LYS 34 -3.875 5.917 5.551
252 HZ3 LYS 34 2HZ LYS 34 -4.814 6.834 4.471
253 H TRP 35 H TRP 35 -8.490 0.230 2.882
254 HA TRP 35 HA TRP 35 -11.090 0.952 1.581
255 HB2 TRP 35 2HB TRP 35 -11.130 -1.464 0.887
256 HB3 TRP 35 1HB TRP 35 -9.776 -0.573 0.188
257 HD1 TRP 35 HD TRP 35 -7.433 -0.709 1.765
258 HE1 TRP 35 1HE TRP 35 -6.446 -2.782 2.934
259 HE3 TRP 35 3HE TRP 35 -11.539 -3.729 1.828
260 HZ2 TRP 35 2HZ TRP 35 -7.287 -5.387 3.783
261 HZ3 TRP 35 3HZ TRP 35 -11.429 -5.996 2.827
262 HH2 TRP 35 HH TRP 35 -9.307 -6.829 3.799
263 H LYS 36 H LYS 36 -12.504 -1.362 2.274
264 HA LYS 36 HA LYS 36 -12.198 -2.119 5.035
265 HB2 LYS 36 2HB LYS 36 -13.020 0.325 5.179
266 HB3 LYS 36 1HB LYS 36 -14.560 -0.290 4.570
267 HG2 LYS 36 2HG LYS 36 -14.137 -2.104 6.519
268 HG3 LYS 36 1HG LYS 36 -13.232 -0.760 7.203
269 HD2 LYS 36 2HD LYS 36 -15.234 0.692 6.968
270 HD3 LYS 36 1HD LYS 36 -16.137 -0.685 6.338
271 HE2 LYS 36 2HE LYS 36 -15.347 -1.870 8.549
272 HE3 LYS 36 1HE LYS 36 -15.104 -0.221 9.125
273 HZ1 LYS 36 3HZ LYS 36 -17.637 -1.106 7.876
274 HZ2 LYS 36 1HZ LYS 36 -17.360 0.286 8.803
275 HZ3 LYS 36 2HZ LYS 36 -17.357 -1.242 9.545
276 H TYR 37 H TYR 37 -12.638 -3.406 2.555
277 HA TYR 37 HA TYR 37 -13.874 -5.513 2.333
278 HB2 TYR 37 2HB TYR 37 -15.984 -4.014 3.859
279 HB3 TYR 37 1HB TYR 37 -16.503 -5.259 2.740
280 HD1 TYR 37 2HD TYR 37 -14.240 -4.647 5.657
281 HD2 TYR 37 1HD TYR 37 -16.314 -7.547 3.256
282 HE1 TYR 37 2HE TYR 37 -13.660 -6.422 7.291
283 HE2 TYR 37 1HE TYR 37 -15.731 -9.314 4.889
284 HH TYR 37 HH TYR 37 -14.834 -9.762 6.861
285 H LEU 38 H LEU 38 -13.297 -3.251 0.569
286 HA LEU 38 HA LEU 38 -15.539 -2.586 -1.023
287 HB2 LEU 38 2HB LEU 38 -12.603 -2.820 -1.719
288 HB3 LEU 38 1HB LEU 38 -13.809 -2.164 -2.824
289 HG LEU 38 HG LEU 38 -13.394 -1.075 -0.029
290 HD11 LEU 38 1HD1 LEU 38 -11.900 0.543 -0.866
291 HD12 LEU 38 2HD1 LEU 38 -12.340 0.222 -2.541
292 HD13 LEU 38 3HD1 LEU 38 -11.357 -0.938 -1.650
293 HD21 LEU 38 3HD2 LEU 38 -14.722 0.028 -2.532
294 HD22 LEU 38 1HD2 LEU 38 -14.533 0.911 -1.018
295 HD23 LEU 38 2HD2 LEU 38 -15.552 -0.522 -1.079
296 H PHE 39 H PHE 39 -13.181 -5.194 -1.260
297 HA PHE 39 HA PHE 39 -14.350 -7.433 -1.850
298 HB2 PHE 39 2HB PHE 39 -15.268 -5.593 -3.947
299 HB3 PHE 39 1HB PHE 39 -14.589 -7.074 -4.593
300 HD1 PHE 39 2HD PHE 39 -16.800 -6.121 -1.675
301 HD2 PHE 39 1HD PHE 39 -16.083 -8.796 -4.963
302 HE1 PHE 39 2HE PHE 39 -18.860 -7.368 -1.112
303 HE2 PHE 39 1HE PHE 39 -18.145 -10.047 -4.388
304 HZ PHE 39 HZ PHE 39 -19.533 -9.331 -2.464
305 H THR 40 H THR 40 -13.383 -8.539 -4.152
306 HA THR 40 HA THR 40 -10.505 -8.439 -3.701
307 HB THR 40 HB THR 40 -10.406 -10.198 -5.393
308 HG1 THR 40 1HG THR 40 -12.118 -10.635 -6.671
309 HG21 THR 40 3HG2 THR 40 -12.887 -10.566 -3.696
310 HG22 THR 40 1HG2 THR 40 -11.240 -10.741 -3.091
311 HG23 THR 40 2HG2 THR 40 -11.844 -11.836 -4.334
312 H GLY 41 H GLY 41 -12.531 -6.440 -5.376
313 HA2 GLY 41 2HA GLY 41 -11.706 -5.945 -7.912
314 HA3 GLY 41 1HA GLY 41 -11.902 -4.617 -6.770
315 H GLU 42 H GLU 42 -9.972 -4.000 -5.488
316 HA GLU 42 HA GLU 42 -7.462 -4.529 -7.029
317 HB2 GLU 42 2HB GLU 42 -6.692 -2.413 -5.747
318 HB3 GLU 42 1HB GLU 42 -7.851 -2.201 -7.058
319 HG2 GLU 42 2HG GLU 42 -8.762 -2.591 -4.204
320 HG3 GLU 42 1HG GLU 42 -8.360 -0.995 -4.835
321 H CYS 43 H CYS 43 -6.121 -5.961 -6.022
322 HA CYS 43 HA CYS 43 -6.387 -6.380 -3.111
323 HB2 CYS 43 2HB CYS 43 -5.455 -7.922 -5.394
324 HB3 CYS 43 1HB CYS 43 -4.288 -7.978 -4.088
325 HXT CYS 43 2HT CYS 43 -2.775 -5.450 -2.845
Start of MODEL 11
1 H1 CYS 1 1H CYS 1 5.423 -9.633 -1.370
2 H2 CYS 1 2H CYS 1 4.228 -10.706 -0.870
3 H3 CYS 1 3H CYS 1 4.219 -10.111 -2.443
4 HA CYS 1 HA CYS 1 3.791 -7.896 -1.656
5 HB2 CYS 1 2HB CYS 1 1.523 -8.227 -1.296
6 HB3 CYS 1 1HB CYS 1 1.977 -9.768 -2.010
7 H GLY 2 H GLY 2 4.291 -6.475 -0.087
8 HA2 GLY 2 2HA GLY 2 5.453 -7.338 2.386
9 HA3 GLY 2 1HA GLY 2 5.058 -5.683 1.952
10 H SER 3 H SER 3 2.336 -5.639 1.858
11 HA SER 3 HA SER 3 0.332 -5.805 3.116
12 HB2 SER 3 2HB SER 3 1.591 -8.138 3.878
13 HB3 SER 3 1HB SER 3 1.452 -7.287 5.406
14 HG SER 3 HG SER 3 -0.516 -8.276 3.705
15 H LYS 4 H LYS 4 -0.385 -5.111 5.461
16 HA LYS 4 HA LYS 4 0.253 -2.592 6.118
17 HB2 LYS 4 2HB LYS 4 -1.189 -4.307 7.469
18 HB3 LYS 4 1HB LYS 4 0.273 -4.526 8.432
19 HG2 LYS 4 2HG LYS 4 0.335 -2.142 8.946
20 HG3 LYS 4 1HG LYS 4 -1.043 -1.843 7.893
21 HD2 LYS 4 2HD LYS 4 -2.502 -3.138 9.311
22 HD3 LYS 4 1HD LYS 4 -1.140 -3.706 10.277
23 HE2 LYS 4 2HE LYS 4 -2.389 -1.873 11.402
24 HE3 LYS 4 1HE LYS 4 -0.713 -1.436 11.076
25 HZ1 LYS 4 3HZ LYS 4 -1.420 0.275 9.898
26 HZ2 LYS 4 1HZ LYS 4 -3.031 -0.133 10.231
27 HZ3 LYS 4 2HZ LYS 4 -2.267 -0.755 8.846
28 H ARG 5 H ARG 5 1.997 -1.409 6.651
29 HA ARG 5 HA ARG 5 4.256 -0.887 7.038
30 HB2 ARG 5 2HB ARG 5 4.079 -3.161 9.033
31 HB3 ARG 5 1HB ARG 5 5.235 -1.834 9.048
32 HG2 ARG 5 2HG ARG 5 3.163 -0.295 9.214
33 HG3 ARG 5 1HG ARG 5 2.287 -1.761 9.651
34 HD2 ARG 5 2HD ARG 5 4.648 -0.539 11.088
35 HD3 ARG 5 1HD ARG 5 3.019 -0.784 11.714
36 HE ARG 5 HE ARG 5 5.122 -2.764 11.678
37 HH11 ARG 5 1HH2 ARG 5 1.726 -2.270 11.309
38 HH12 ARG 5 2HH2 ARG 5 1.312 -3.875 11.815
39 HH21 ARG 5 2HH1 ARG 5 4.597 -4.844 12.340
40 HH22 ARG 5 1HH1 ARG 5 2.936 -5.331 12.398
41 H ALA 6 H ALA 6 4.761 -1.853 4.849
42 HA ALA 6 HA ALA 6 6.886 -3.806 5.144
43 HB1 ALA 6 1HB ALA 6 4.791 -5.203 5.349
44 HB2 ALA 6 2HB ALA 6 5.874 -5.679 4.041
45 HB3 ALA 6 3HB ALA 6 4.416 -4.741 3.688
46 H TRP 7 H TRP 7 8.248 -3.662 3.462
47 HA TRP 7 HA TRP 7 8.154 -1.665 1.523
48 HB2 TRP 7 2HB TRP 7 10.244 -2.659 1.949
49 HB3 TRP 7 1HB TRP 7 9.616 -4.286 1.700
50 HD1 TRP 7 HD TRP 7 10.743 -1.186 -0.196
51 HE1 TRP 7 1HE TRP 7 11.122 -1.831 -2.673
52 HE3 TRP 7 3HE TRP 7 8.944 -5.954 -0.141
53 HZ2 TRP 7 2HZ TRP 7 10.706 -4.090 -4.393
54 HZ3 TRP 7 3HZ TRP 7 8.939 -7.331 -2.199
55 HH2 TRP 7 HH TRP 7 9.820 -6.406 -4.324
56 H CYS 8 H CYS 8 7.279 -1.487 -0.502
57 HA CYS 8 HA CYS 8 5.895 -3.892 -1.660
58 HB2 CYS 8 2HB CYS 8 3.993 -2.708 -1.559
59 HB3 CYS 8 1HB CYS 8 4.829 -1.308 -0.906
60 H LYS 9 H LYS 9 6.123 -4.068 -3.967
61 HA LYS 9 HA LYS 9 8.439 -2.584 -5.042
62 HB2 LYS 9 2HB LYS 9 8.238 -5.054 -5.321
63 HB3 LYS 9 1HB LYS 9 6.784 -4.792 -6.276
64 HG2 LYS 9 2HG LYS 9 7.988 -3.721 -8.021
65 HG3 LYS 9 1HG LYS 9 9.418 -3.519 -7.010
66 HD2 LYS 9 2HD LYS 9 9.872 -5.352 -8.500
67 HD3 LYS 9 1HD LYS 9 9.598 -6.040 -6.904
68 HE2 LYS 9 2HE LYS 9 7.061 -6.109 -7.859
69 HE3 LYS 9 1HE LYS 9 7.951 -6.253 -9.370
70 HZ1 LYS 9 3HZ LYS 9 8.982 -8.193 -8.673
71 HZ2 LYS 9 1HZ LYS 9 7.399 -8.374 -8.091
72 HZ3 LYS 9 2HZ LYS 9 8.643 -7.913 -7.031
73 H GLU 10 H GLU 10 5.022 -3.166 -5.853
74 HA GLU 10 HA GLU 10 4.910 -0.475 -7.084
75 HB2 GLU 10 2HB GLU 10 4.025 -3.019 -8.495
76 HB3 GLU 10 1HB GLU 10 3.548 -1.407 -9.005
77 HG2 GLU 10 2HG GLU 10 6.441 -1.556 -8.679
78 HG3 GLU 10 1HG GLU 10 5.878 -2.803 -9.785
79 H LYS 11 H LYS 11 2.358 -0.232 -7.712
80 HA LYS 11 HA LYS 11 0.995 -0.365 -5.214
81 HB2 LYS 11 2HB LYS 11 0.377 1.226 -6.989
82 HB3 LYS 11 1HB LYS 11 -0.211 -0.110 -7.979
83 HG2 LYS 11 2HG LYS 11 -2.144 -0.291 -6.800
84 HG3 LYS 11 1HG LYS 11 -1.316 -0.145 -5.254
85 HD2 LYS 11 2HD LYS 11 -1.375 2.386 -6.775
86 HD3 LYS 11 1HD LYS 11 -2.977 1.777 -6.360
87 HE2 LYS 11 2HE LYS 11 -2.188 3.181 -4.542
88 HE3 LYS 11 1HE LYS 11 -2.216 1.503 -3.996
89 HZ1 LYS 11 3HZ LYS 11 0.028 3.275 -4.398
90 HZ2 LYS 11 1HZ LYS 11 0.248 1.724 -5.049
91 HZ3 LYS 11 2HZ LYS 11 -0.114 1.906 -3.399
92 H LYS 12 H LYS 12 1.012 -2.566 -7.976
93 HA LYS 12 HA LYS 12 -1.103 -4.232 -6.839
94 HB2 LYS 12 2HB LYS 12 -0.231 -3.859 -9.363
95 HB3 LYS 12 1HB LYS 12 0.703 -5.298 -8.961
96 HG2 LYS 12 2HG LYS 12 -1.323 -6.512 -8.382
97 HG3 LYS 12 1HG LYS 12 -2.298 -5.057 -8.598
98 HD2 LYS 12 2HD LYS 12 -1.623 -4.977 -10.983
99 HD3 LYS 12 1HD LYS 12 -0.709 -6.470 -10.761
100 HE2 LYS 12 2HE LYS 12 -2.901 -7.503 -9.921
101 HE3 LYS 12 1HE LYS 12 -3.700 -6.072 -10.573
102 HZ1 LYS 12 3HZ LYS 12 -3.759 -7.328 -12.422
103 HZ2 LYS 12 1HZ LYS 12 -2.440 -8.290 -11.962
104 HZ3 LYS 12 2HZ LYS 12 -2.175 -6.751 -12.631
105 H ASP 13 H ASP 13 2.195 -3.869 -6.185
106 HA ASP 13 HA ASP 13 2.667 -6.702 -5.571
107 HB2 ASP 13 2HB ASP 13 4.455 -5.007 -6.353
108 HB3 ASP 13 1HB ASP 13 4.452 -4.444 -4.682
109 H CYS 14 H CYS 14 0.895 -4.376 -3.946
110 HA CYS 14 HA CYS 14 1.873 -5.119 -1.271
111 HB2 CYS 14 2HB CYS 14 -0.169 -3.214 -2.366
112 HB3 CYS 14 1HB CYS 14 -0.302 -3.735 -0.701
113 H CYS 15 H CYS 15 0.723 -6.509 0.094
114 HA CYS 15 HA CYS 15 -0.660 -8.663 -0.939
115 HB2 CYS 15 2HB CYS 15 -1.170 -7.405 1.768
116 HB3 CYS 15 1HB CYS 15 -1.341 -9.092 1.325
117 H CYS 16 H CYS 16 -2.807 -9.072 -1.443
118 HA CYS 16 HA CYS 16 -4.445 -7.031 -2.395
119 HB2 CYS 16 2HB CYS 16 -5.171 -9.105 -3.100
120 HB3 CYS 16 1HB CYS 16 -4.934 -9.844 -1.522
121 H GLY 17 H GLY 17 -5.926 -5.641 -1.499
122 HA2 GLY 17 2HA GLY 17 -7.433 -4.824 0.175
123 HA3 GLY 17 1HA GLY 17 -6.808 -6.034 1.294
124 H TYR 18 H TYR 18 -4.129 -4.756 -0.159
125 HA TYR 18 HA TYR 18 -3.922 -2.579 1.956
126 HB2 TYR 18 2HB TYR 18 -1.812 -4.566 1.080
127 HB3 TYR 18 1HB TYR 18 -1.529 -3.213 2.176
128 HD1 TYR 18 1HD TYR 18 -3.254 -6.457 1.763
129 HD2 TYR 18 2HD TYR 18 -2.394 -3.209 4.440
130 HE1 TYR 18 1HE TYR 18 -4.101 -7.802 3.662
131 HE2 TYR 18 2HE TYR 18 -3.239 -4.554 6.342
132 HH TYR 18 HH TYR 18 -4.331 -6.423 6.928
133 H ASN 19 H ASN 19 -2.844 -0.703 1.339
134 HA ASN 19 HA ASN 19 -2.451 -0.369 -1.597
135 HB2 ASN 19 2HB ASN 19 -3.859 1.351 -0.880
136 HB3 ASN 19 1HB ASN 19 -3.063 1.478 0.686
137 HD21 ASN 19 1HD2 ASN 19 -1.756 3.292 0.889
138 HD22 ASN 19 2HD2 ASN 19 -0.991 4.095 -0.397
139 H CYS 20 H CYS 20 -0.547 0.698 -2.383
140 HA CYS 20 HA CYS 20 1.851 0.167 -0.727
141 HB2 CYS 20 2HB CYS 20 1.789 -0.574 -3.119
142 HB3 CYS 20 1HB CYS 20 1.646 1.116 -3.606
143 H VAL 21 H VAL 21 2.500 1.782 0.575
144 HA VAL 21 HA VAL 21 1.916 4.595 -0.190
145 HB VAL 21 HB VAL 21 1.912 3.179 2.284
146 HG11 VAL 21 1HG1 VAL 21 3.410 4.500 3.679
147 HG12 VAL 21 2HG1 VAL 21 3.952 5.427 2.282
148 HG13 VAL 21 3HG1 VAL 21 4.354 3.713 2.419
149 HG21 VAL 21 3HG2 VAL 21 0.361 4.962 1.582
150 HG22 VAL 21 1HG2 VAL 21 1.666 6.141 1.703
151 HG23 VAL 21 2HG2 VAL 21 1.080 5.322 3.152
152 H TYR 22 H TYR 22 3.578 6.107 -0.533
153 HA TYR 22 HA TYR 22 6.265 4.775 -0.949
154 HB2 TYR 22 2HB TYR 22 4.897 6.111 -2.765
155 HB3 TYR 22 1HB TYR 22 5.559 7.523 -1.945
156 HD1 TYR 22 2HD TYR 22 6.498 4.295 -3.546
157 HD2 TYR 22 1HD TYR 22 7.797 8.201 -2.325
158 HE1 TYR 22 2HE TYR 22 8.644 3.947 -4.733
159 HE2 TYR 22 1HE TYR 22 9.944 7.858 -3.513
160 HH TYR 22 HH TYR 22 10.436 5.541 -5.789
161 H ALA 23 H ALA 23 7.908 5.289 0.420
162 HA ALA 23 HA ALA 23 7.468 7.437 2.413
163 HB1 ALA 23 1HB ALA 23 8.314 5.090 3.001
164 HB2 ALA 23 2HB ALA 23 9.240 6.436 3.657
165 HB3 ALA 23 3HB ALA 23 9.837 5.561 2.248
166 H TRP 24 H TRP 24 7.927 9.388 1.432
167 HA TRP 24 HA TRP 24 9.696 10.011 -0.589
168 HB2 TRP 24 2HB TRP 24 9.843 12.275 0.356
169 HB3 TRP 24 1HB TRP 24 8.198 11.663 0.473
170 HD1 TRP 24 HD TRP 24 8.329 9.941 3.066
171 HE1 TRP 24 1HE TRP 24 8.710 11.039 5.358
172 HE3 TRP 24 3HE TRP 24 10.469 14.345 1.598
173 HZ2 TRP 24 2HZ TRP 24 9.779 13.457 6.438
174 HZ3 TRP 24 3HZ TRP 24 11.152 16.028 3.285
175 HH2 TRP 24 HH TRP 24 10.808 15.590 5.701
176 H TYR 25 H TYR 25 10.485 9.153 2.748
177 HA TYR 25 HA TYR 25 13.375 9.848 2.182
178 HB2 TYR 25 2HB TYR 25 13.737 9.826 4.483
179 HB3 TYR 25 1HB TYR 25 12.058 10.355 4.425
180 HD1 TYR 25 2HD TYR 25 10.215 8.733 4.901
181 HD2 TYR 25 1HD TYR 25 14.354 7.676 5.362
182 HE1 TYR 25 2HE TYR 25 9.562 6.771 6.271
183 HE2 TYR 25 1HE TYR 25 13.701 5.713 6.733
184 HH TYR 25 HH TYR 25 11.395 4.230 6.843
185 H ASN 26 H ASN 26 14.962 8.221 2.182
186 HA ASN 26 HA ASN 26 15.817 6.077 1.774
187 HB2 ASN 26 2HB ASN 26 13.684 5.672 3.786
188 HB3 ASN 26 1HB ASN 26 14.043 4.246 2.825
189 HD21 ASN 26 1HD2 ASN 26 16.371 3.525 2.788
190 HD22 ASN 26 2HD2 ASN 26 17.355 3.880 4.124
191 H GLN 27 H GLN 27 12.939 7.205 0.522
192 HA GLN 27 HA GLN 27 11.528 6.466 -1.221
193 HB2 GLN 27 2HB GLN 27 14.354 5.994 -1.924
194 HB3 GLN 27 1HB GLN 27 13.229 5.017 -2.867
195 HG2 GLN 27 2HG GLN 27 13.694 7.221 -3.929
196 HG3 GLN 27 1HG GLN 27 11.992 7.014 -3.526
197 HE21 GLN 27 1HE2 GLN 27 11.158 8.918 -2.660
198 HE22 GLN 27 2HE2 GLN 27 11.998 9.971 -1.626
199 H GLN 28 H GLN 28 11.107 4.879 0.929
200 HA GLN 28 HA GLN 28 11.122 2.084 -0.150
201 HB2 GLN 28 2HB GLN 28 12.143 3.021 2.258
202 HB3 GLN 28 1HB GLN 28 10.563 2.407 2.723
203 HG2 GLN 28 2HG GLN 28 12.141 0.596 2.920
204 HG3 GLN 28 1HG GLN 28 11.139 0.270 1.506
205 HE21 GLN 28 1HE2 GLN 28 13.115 2.838 0.667
206 HE22 GLN 28 2HE2 GLN 28 14.386 1.978 -0.056
207 H SER 29 H SER 29 9.112 1.172 -0.472
208 HA SER 29 HA SER 29 6.782 2.871 0.189
209 HB2 SER 29 2HB SER 29 6.840 0.352 -1.474
210 HB3 SER 29 1HB SER 29 5.575 1.566 -1.406
211 HG SER 29 HG SER 29 7.299 1.597 -3.171
212 H SER 30 H SER 30 5.506 2.394 1.907
213 HA SER 30 HA SER 30 5.719 -0.268 3.134
214 HB2 SER 30 2HB SER 30 5.428 0.730 5.183
215 HB3 SER 30 1HB SER 30 6.029 2.140 4.314
216 HG SER 30 HG SER 30 4.169 2.902 5.033
217 H CYS 31 H CYS 31 3.997 -1.639 2.671
218 HA CYS 31 HA CYS 31 1.601 -0.669 1.417
219 HB2 CYS 31 2HB CYS 31 2.106 -3.280 2.858
220 HB3 CYS 31 1HB CYS 31 0.691 -2.936 1.890
221 H GLU 32 H GLU 32 -0.442 -0.201 2.340
222 HA GLU 32 HA GLU 32 -0.705 -0.480 5.283
223 HB2 GLU 32 2HB GLU 32 -0.829 1.745 5.764
224 HB3 GLU 32 1HB GLU 32 0.159 1.890 4.313
225 HG2 GLU 32 2HG GLU 32 -1.676 2.528 2.981
226 HG3 GLU 32 1HG GLU 32 -2.842 1.905 4.145
227 H ARG 33 H ARG 33 -2.742 -0.855 5.968
228 HA ARG 33 HA ARG 33 -4.725 -1.781 4.138
229 HB2 ARG 33 2HB ARG 33 -6.008 -2.279 6.041
230 HB3 ARG 33 1HB ARG 33 -4.344 -2.436 6.582
231 HG2 ARG 33 2HG ARG 33 -6.407 -0.409 7.339
232 HG3 ARG 33 1HG ARG 33 -5.182 -1.180 8.327
233 HD2 ARG 33 2HD ARG 33 -3.689 0.371 6.545
234 HD3 ARG 33 1HD ARG 33 -5.070 1.383 6.916
235 HE ARG 33 HE ARG 33 -3.136 0.314 8.911
236 HH11 ARG 33 1HH2 ARG 33 -5.742 2.402 8.005
237 HH12 ARG 33 2HH2 ARG 33 -5.611 3.379 9.426
238 HH21 ARG 33 2HH1 ARG 33 -2.971 1.585 10.763
239 HH22 ARG 33 1HH1 ARG 33 -4.051 2.923 10.977
240 H LYS 34 H LYS 34 -4.519 0.579 2.959
241 HA LYS 34 HA LYS 34 -5.912 2.786 3.991
242 HB2 LYS 34 2HB LYS 34 -5.021 1.902 1.377
243 HB3 LYS 34 1HB LYS 34 -6.571 2.720 1.258
244 HG2 LYS 34 2HG LYS 34 -4.357 3.949 2.894
245 HG3 LYS 34 1HG LYS 34 -4.369 4.134 1.142
246 HD2 LYS 34 2HD LYS 34 -6.960 4.656 2.515
247 HD3 LYS 34 1HD LYS 34 -5.682 5.834 2.800
248 HE2 LYS 34 2HE LYS 34 -7.026 6.482 0.846
249 HE3 LYS 34 1HE LYS 34 -5.378 6.090 0.355
250 HZ1 LYS 34 3HZ LYS 34 -7.558 4.089 0.310
251 HZ2 LYS 34 1HZ LYS 34 -6.052 4.015 -0.463
252 HZ3 LYS 34 2HZ LYS 34 -7.236 5.102 -1.015
253 H TRP 35 H TRP 35 -7.199 -0.251 3.557
254 HA TRP 35 HA TRP 35 -9.945 0.880 3.135
255 HB2 TRP 35 2HB TRP 35 -9.122 -1.973 2.580
256 HB3 TRP 35 1HB TRP 35 -10.570 -1.127 2.028
257 HD1 TRP 35 HD TRP 35 -6.753 -1.112 1.529
258 HE1 TRP 35 1HE TRP 35 -6.232 -0.122 -0.793
259 HE3 TRP 35 3HE TRP 35 -11.455 0.269 0.076
260 HZ2 TRP 35 2HZ TRP 35 -7.619 1.098 -2.974
261 HZ3 TRP 35 3HZ TRP 35 -11.823 1.341 -2.129
262 HH2 TRP 35 HH TRP 35 -9.912 1.756 -3.654
263 H LYS 36 H LYS 36 -11.546 -1.071 3.994
264 HA LYS 36 HA LYS 36 -11.541 -0.848 6.805
265 HB2 LYS 36 2HB LYS 36 -12.918 -2.718 4.890
266 HB3 LYS 36 1HB LYS 36 -13.130 -2.906 6.627
267 HG2 LYS 36 2HG LYS 36 -13.517 -0.218 5.320
268 HG3 LYS 36 1HG LYS 36 -14.816 -1.408 5.321
269 HD2 LYS 36 2HD LYS 36 -13.394 -0.607 7.870
270 HD3 LYS 36 1HD LYS 36 -14.792 0.276 7.266
271 HE2 LYS 36 2HE LYS 36 -16.054 -1.912 7.224
272 HE3 LYS 36 1HE LYS 36 -14.677 -2.652 8.037
273 HZ1 LYS 36 3HZ LYS 36 -16.284 -1.996 9.658
274 HZ2 LYS 36 1HZ LYS 36 -16.331 -0.412 9.054
275 HZ3 LYS 36 2HZ LYS 36 -14.923 -0.990 9.809
276 H TYR 37 H TYR 37 -9.074 -2.203 5.400
277 HA TYR 37 HA TYR 37 -7.618 -3.975 5.930
278 HB2 TYR 37 2HB TYR 37 -7.630 -4.472 8.534
279 HB3 TYR 37 1HB TYR 37 -7.048 -2.936 7.911
280 HD1 TYR 37 2HD TYR 37 -8.564 -0.920 7.930
281 HD2 TYR 37 1HD TYR 37 -9.593 -4.592 9.915
282 HE1 TYR 37 2HE TYR 37 -10.263 0.280 9.273
283 HE2 TYR 37 1HE TYR 37 -11.294 -3.382 11.262
284 HH TYR 37 HH TYR 37 -12.424 -1.453 11.496
285 H LEU 38 H LEU 38 -10.895 -4.639 6.113
286 HA LEU 38 HA LEU 38 -10.456 -7.401 6.985
287 HB2 LEU 38 2HB LEU 38 -12.953 -5.807 6.446
288 HB3 LEU 38 1HB LEU 38 -13.009 -7.555 6.606
289 HG LEU 38 HG LEU 38 -12.538 -5.466 8.688
290 HD11 LEU 38 1HD1 LEU 38 -14.652 -6.826 8.325
291 HD12 LEU 38 2HD1 LEU 38 -13.995 -6.872 9.960
292 HD13 LEU 38 3HD1 LEU 38 -13.740 -8.235 8.871
293 HD21 LEU 38 3HD2 LEU 38 -11.542 -7.271 10.180
294 HD22 LEU 38 1HD2 LEU 38 -10.448 -6.628 8.956
295 HD23 LEU 38 2HD2 LEU 38 -11.221 -8.201 8.719
296 H PHE 39 H PHE 39 -12.294 -5.924 4.301
297 HA PHE 39 HA PHE 39 -10.913 -7.281 2.232
298 HB2 PHE 39 2HB PHE 39 -12.422 -9.060 3.755
299 HB3 PHE 39 1HB PHE 39 -13.461 -8.714 2.382
300 HD1 PHE 39 2HD PHE 39 -11.476 -8.253 0.228
301 HD2 PHE 39 1HD PHE 39 -11.572 -11.214 3.339
302 HE1 PHE 39 2HE PHE 39 -10.134 -9.783 -1.188
303 HE2 PHE 39 1HE PHE 39 -10.229 -12.744 1.922
304 HZ PHE 39 HZ PHE 39 -9.511 -12.029 -0.340
305 H THR 40 H THR 40 -14.352 -7.074 2.855
306 HA THR 40 HA THR 40 -16.074 -5.912 1.751
307 HB THR 40 HB THR 40 -14.558 -3.736 0.602
308 HG1 THR 40 1HG THR 40 -13.651 -4.786 3.007
309 HG21 THR 40 3HG2 THR 40 -16.814 -3.456 1.411
310 HG22 THR 40 1HG2 THR 40 -15.758 -2.461 2.416
311 HG23 THR 40 2HG2 THR 40 -16.358 -4.004 3.025
312 H GLY 41 H GLY 41 -15.976 -7.772 0.218
313 HA2 GLY 41 2HA GLY 41 -16.168 -8.456 -2.036
314 HA3 GLY 41 1HA GLY 41 -15.691 -6.826 -2.525
315 H GLU 42 H GLU 42 -14.493 -8.651 -4.019
316 HA GLU 42 HA GLU 42 -11.970 -9.489 -2.764
317 HB2 GLU 42 2HB GLU 42 -12.153 -9.991 -5.624
318 HB3 GLU 42 1HB GLU 42 -12.051 -11.128 -4.291
319 HG2 GLU 42 2HG GLU 42 -14.507 -10.828 -3.894
320 HG3 GLU 42 1HG GLU 42 -14.568 -9.859 -5.368
321 H CYS 43 H CYS 43 -10.029 -8.508 -3.177
322 HA CYS 43 HA CYS 43 -9.732 -5.872 -3.934
323 HB2 CYS 43 2HB CYS 43 -7.404 -7.077 -4.940
324 HB3 CYS 43 1HB CYS 43 -7.643 -6.511 -3.286
325 HXT CYS 43 2HT CYS 43 -10.754 -7.521 -7.153
Start of MODEL 12
1 H1 CYS 1 1H CYS 1 4.950 -10.714 -1.090
2 H2 CYS 1 2H CYS 1 3.367 -11.010 -0.604
3 H3 CYS 1 3H CYS 1 3.729 -10.847 -2.239
4 HA CYS 1 HA CYS 1 4.334 -8.540 -1.917
5 HB2 CYS 1 2HB CYS 1 1.969 -7.842 -1.033
6 HB3 CYS 1 1HB CYS 1 2.094 -8.698 -2.564
7 H GLY 2 H GLY 2 4.421 -6.709 -0.426
8 HA2 GLY 2 2HA GLY 2 5.523 -7.436 2.129
9 HA3 GLY 2 1HA GLY 2 5.165 -5.799 1.588
10 H SER 3 H SER 3 2.589 -5.531 1.410
11 HA SER 3 HA SER 3 0.446 -5.632 2.452
12 HB2 SER 3 2HB SER 3 0.857 -7.998 3.106
13 HB3 SER 3 1HB SER 3 1.757 -7.440 4.508
14 HG SER 3 HG SER 3 -0.989 -7.201 3.927
15 H LYS 4 H LYS 4 -0.129 -5.419 5.157
16 HA LYS 4 HA LYS 4 0.419 -2.737 5.757
17 HB2 LYS 4 2HB LYS 4 -1.191 -4.477 6.880
18 HB3 LYS 4 1HB LYS 4 0.155 -4.773 7.965
19 HG2 LYS 4 2HG LYS 4 0.188 -2.432 8.638
20 HG3 LYS 4 1HG LYS 4 -1.059 -2.036 7.454
21 HD2 LYS 4 2HD LYS 4 -2.638 -3.547 8.598
22 HD3 LYS 4 1HD LYS 4 -1.398 -3.966 9.775
23 HE2 LYS 4 2HE LYS 4 -1.280 -1.466 10.325
24 HE3 LYS 4 1HE LYS 4 -2.767 -1.294 9.389
25 HZ1 LYS 4 3HZ LYS 4 -2.874 -3.478 11.240
26 HZ2 LYS 4 1HZ LYS 4 -3.963 -2.198 11.018
27 HZ3 LYS 4 2HZ LYS 4 -2.607 -1.991 12.020
28 H ARG 5 H ARG 5 2.198 -1.687 6.584
29 HA ARG 5 HA ARG 5 4.423 -1.442 7.351
30 HB2 ARG 5 2HB ARG 5 3.006 -2.633 9.287
31 HB3 ARG 5 1HB ARG 5 4.079 -3.979 8.929
32 HG2 ARG 5 2HG ARG 5 6.030 -2.479 9.291
33 HG3 ARG 5 1HG ARG 5 4.917 -1.180 9.734
34 HD2 ARG 5 2HD ARG 5 5.252 -3.847 11.133
35 HD3 ARG 5 1HD ARG 5 5.639 -2.253 11.785
36 HE ARG 5 HE ARG 5 3.040 -1.875 11.357
37 HH11 ARG 5 1HH2 ARG 5 4.690 -4.700 12.474
38 HH12 ARG 5 2HH2 ARG 5 3.320 -5.319 13.332
39 HH21 ARG 5 2HH1 ARG 5 1.248 -2.675 12.459
40 HH22 ARG 5 1HH1 ARG 5 1.371 -4.170 13.326
41 H ALA 6 H ALA 6 5.095 -2.130 5.082
42 HA ALA 6 HA ALA 6 7.027 -4.262 5.159
43 HB1 ALA 6 1HB ALA 6 4.544 -4.871 3.536
44 HB2 ALA 6 2HB ALA 6 4.842 -5.559 5.134
45 HB3 ALA 6 3HB ALA 6 5.934 -5.925 3.804
46 H TRP 7 H TRP 7 8.491 -3.781 3.599
47 HA TRP 7 HA TRP 7 8.257 -1.651 1.799
48 HB2 TRP 7 2HB TRP 7 10.436 -2.462 2.247
49 HB3 TRP 7 1HB TRP 7 10.060 -4.110 1.791
50 HD1 TRP 7 HD TRP 7 10.366 -0.620 0.170
51 HE1 TRP 7 1HE TRP 7 11.043 -0.948 -2.296
52 HE3 TRP 7 3HE TRP 7 10.219 -5.710 -0.102
53 HZ2 TRP 7 2HZ TRP 7 11.469 -3.103 -4.145
54 HZ3 TRP 7 3HZ TRP 7 10.767 -6.877 -2.217
55 HH2 TRP 7 HH TRP 7 11.392 -5.583 -4.236
56 H CYS 8 H CYS 8 6.903 -1.425 0.128
57 HA CYS 8 HA CYS 8 6.020 -3.863 -1.422
58 HB2 CYS 8 2HB CYS 8 3.980 -2.927 -0.950
59 HB3 CYS 8 1HB CYS 8 4.686 -1.361 -0.547
60 H LYS 9 H LYS 9 6.174 -3.673 -3.768
61 HA LYS 9 HA LYS 9 8.233 -1.727 -4.647
62 HB2 LYS 9 2HB LYS 9 8.497 -4.101 -5.274
63 HB3 LYS 9 1HB LYS 9 6.961 -4.046 -6.126
64 HG2 LYS 9 2HG LYS 9 7.836 -2.317 -7.638
65 HG3 LYS 9 1HG LYS 9 9.382 -2.344 -6.788
66 HD2 LYS 9 2HD LYS 9 8.191 -4.856 -7.975
67 HD3 LYS 9 1HD LYS 9 9.183 -3.765 -8.943
68 HE2 LYS 9 2HE LYS 9 11.084 -4.556 -8.008
69 HE3 LYS 9 1HE LYS 9 10.454 -4.324 -6.379
70 HZ1 LYS 9 3HZ LYS 9 9.318 -6.533 -7.888
71 HZ2 LYS 9 1HZ LYS 9 9.740 -6.439 -6.249
72 HZ3 LYS 9 2HZ LYS 9 10.942 -6.708 -7.420
73 H GLU 10 H GLU 10 4.846 -2.560 -5.217
74 HA GLU 10 HA GLU 10 4.339 0.106 -6.311
75 HB2 GLU 10 2HB GLU 10 3.173 -1.129 -8.354
76 HB3 GLU 10 1HB GLU 10 4.884 -0.706 -8.421
77 HG2 GLU 10 2HG GLU 10 5.585 -2.899 -8.034
78 HG3 GLU 10 1HG GLU 10 4.064 -3.342 -7.258
79 H LYS 11 H LYS 11 1.830 -0.239 -7.312
80 HA LYS 11 HA LYS 11 0.225 -0.609 -4.987
81 HB2 LYS 11 2HB LYS 11 -0.439 0.674 -7.047
82 HB3 LYS 11 1HB LYS 11 -0.647 -0.863 -7.883
83 HG2 LYS 11 2HG LYS 11 -2.814 -0.611 -7.157
84 HG3 LYS 11 1HG LYS 11 -2.167 -1.363 -5.699
85 HD2 LYS 11 2HD LYS 11 -1.620 1.006 -4.898
86 HD3 LYS 11 1HD LYS 11 -2.631 1.578 -6.225
87 HE2 LYS 11 2HE LYS 11 -3.417 0.087 -3.748
88 HE3 LYS 11 1HE LYS 11 -4.211 1.455 -4.529
89 HZ1 LYS 11 3HZ LYS 11 -5.552 -0.416 -4.945
90 HZ2 LYS 11 1HZ LYS 11 -4.228 -1.385 -5.373
91 HZ3 LYS 11 2HZ LYS 11 -4.724 -0.126 -6.400
92 H LYS 12 H LYS 12 0.741 -2.738 -7.797
93 HA LYS 12 HA LYS 12 -0.874 -4.873 -6.767
94 HB2 LYS 12 2HB LYS 12 -0.020 -4.339 -9.198
95 HB3 LYS 12 1HB LYS 12 1.345 -5.351 -8.724
96 HG2 LYS 12 2HG LYS 12 -0.126 -7.207 -8.219
97 HG3 LYS 12 1HG LYS 12 -1.553 -6.202 -8.470
98 HD2 LYS 12 2HD LYS 12 -0.844 -5.857 -10.841
99 HD3 LYS 12 1HD LYS 12 0.486 -6.987 -10.570
100 HE2 LYS 12 2HE LYS 12 -2.405 -7.705 -10.048
101 HE3 LYS 12 1HE LYS 12 -1.613 -8.001 -11.597
102 HZ1 LYS 12 3HZ LYS 12 -1.281 -9.352 -9.060
103 HZ2 LYS 12 1HZ LYS 12 0.167 -9.011 -9.872
104 HZ3 LYS 12 2HZ LYS 12 -1.039 -9.929 -10.640
105 H ASP 13 H ASP 13 2.674 -4.329 -6.683
106 HA ASP 13 HA ASP 13 3.452 -6.841 -5.662
107 HB2 ASP 13 2HB ASP 13 5.006 -4.931 -6.287
108 HB3 ASP 13 1HB ASP 13 4.661 -4.239 -4.705
109 H CYS 14 H CYS 14 1.498 -4.475 -4.135
110 HA CYS 14 HA CYS 14 2.187 -5.441 -1.429
111 HB2 CYS 14 2HB CYS 14 1.640 -3.051 -1.733
112 HB3 CYS 14 1HB CYS 14 0.027 -3.483 -2.283
113 H CYS 15 H CYS 15 0.780 -6.675 -0.148
114 HA CYS 15 HA CYS 15 -0.688 -8.679 -1.428
115 HB2 CYS 15 2HB CYS 15 -0.810 -7.554 1.370
116 HB3 CYS 15 1HB CYS 15 -1.721 -8.957 0.876
117 H CYS 16 H CYS 16 -2.774 -8.805 -2.180
118 HA CYS 16 HA CYS 16 -4.248 -6.460 -2.705
119 HB2 CYS 16 2HB CYS 16 -4.585 -9.287 -3.125
120 HB3 CYS 16 1HB CYS 16 -6.094 -8.637 -2.500
121 H GLY 17 H GLY 17 -5.378 -5.197 -1.384
122 HA2 GLY 17 2HA GLY 17 -7.246 -5.165 0.315
123 HA3 GLY 17 1HA GLY 17 -6.300 -6.334 1.227
124 H TYR 18 H TYR 18 -3.964 -4.519 -0.105
125 HA TYR 18 HA TYR 18 -4.026 -2.508 2.187
126 HB2 TYR 18 2HB TYR 18 -1.760 -4.170 1.094
127 HB3 TYR 18 1HB TYR 18 -1.524 -2.868 2.251
128 HD1 TYR 18 1HD TYR 18 -2.565 -3.057 4.542
129 HD2 TYR 18 2HD TYR 18 -2.676 -6.263 1.693
130 HE1 TYR 18 1HE TYR 18 -3.225 -4.636 6.340
131 HE2 TYR 18 2HE TYR 18 -3.324 -7.846 3.490
132 HH TYR 18 HH TYR 18 -3.386 -8.099 5.781
133 H ASN 19 H ASN 19 -3.032 -0.458 1.747
134 HA ASN 19 HA ASN 19 -2.843 0.162 -1.168
135 HB2 ASN 19 2HB ASN 19 -3.109 2.455 -0.565
136 HB3 ASN 19 1HB ASN 19 -4.238 1.574 0.450
137 HD21 ASN 19 1HD2 ASN 19 -1.794 3.907 0.573
138 HD22 ASN 19 2HD2 ASN 19 -1.429 3.792 2.228
139 H CYS 20 H CYS 20 -0.876 0.602 -2.089
140 HA CYS 20 HA CYS 20 1.498 0.380 -0.337
141 HB2 CYS 20 2HB CYS 20 1.437 -0.963 -2.397
142 HB3 CYS 20 1HB CYS 20 1.247 0.504 -3.352
143 H VAL 21 H VAL 21 2.591 2.154 0.302
144 HA VAL 21 HA VAL 21 2.256 4.661 -1.296
145 HB VAL 21 HB VAL 21 1.234 4.566 1.105
146 HG11 VAL 21 1HG1 VAL 21 3.304 3.528 2.108
147 HG12 VAL 21 2HG1 VAL 21 2.735 4.980 2.937
148 HG13 VAL 21 3HG1 VAL 21 4.127 5.073 1.855
149 HG21 VAL 21 3HG2 VAL 21 1.242 6.684 0.166
150 HG22 VAL 21 1HG2 VAL 21 2.988 6.680 -0.095
151 HG23 VAL 21 2HG2 VAL 21 2.338 6.941 1.524
152 H TYR 22 H TYR 22 4.067 5.026 -2.393
153 HA TYR 22 HA TYR 22 6.630 3.846 -1.449
154 HB2 TYR 22 2HB TYR 22 5.729 4.233 -3.898
155 HB3 TYR 22 1HB TYR 22 6.343 5.868 -3.672
156 HD1 TYR 22 2HD TYR 22 8.797 6.120 -2.900
157 HD2 TYR 22 1HD TYR 22 7.168 2.491 -4.516
158 HE1 TYR 22 2HE TYR 22 11.086 5.323 -3.419
159 HE2 TYR 22 1HE TYR 22 9.455 1.690 -5.036
160 HH TYR 22 HH TYR 22 12.132 2.850 -3.701
161 H ALA 23 H ALA 23 7.669 4.908 0.234
162 HA ALA 23 HA ALA 23 7.148 7.769 0.664
163 HB1 ALA 23 1HB ALA 23 9.185 7.002 2.424
164 HB2 ALA 23 2HB ALA 23 8.209 5.548 2.235
165 HB3 ALA 23 3HB ALA 23 7.459 7.043 2.781
166 H TRP 24 H TRP 24 8.089 8.733 -1.139
167 HA TRP 24 HA TRP 24 10.565 8.344 -2.317
168 HB2 TRP 24 2HB TRP 24 10.423 11.052 -2.417
169 HB3 TRP 24 1HB TRP 24 9.427 9.998 -3.422
170 HD1 TRP 24 HD TRP 24 8.807 10.429 0.336
171 HE1 TRP 24 1HE TRP 24 6.503 11.512 0.678
172 HE3 TRP 24 3HE TRP 24 7.618 11.522 -4.511
173 HZ2 TRP 24 2HZ TRP 24 4.435 12.687 -0.878
174 HZ3 TRP 24 3HZ TRP 24 5.469 12.632 -5.044
175 HH2 TRP 24 HH TRP 24 3.875 13.215 -3.235
176 H TYR 25 H TYR 25 9.934 9.568 0.919
177 HA TYR 25 HA TYR 25 12.560 10.914 1.057
178 HB2 TYR 25 2HB TYR 25 11.953 11.621 3.171
179 HB3 TYR 25 1HB TYR 25 10.381 11.404 2.414
180 HD1 TYR 25 2HD TYR 25 8.982 9.422 2.969
181 HD2 TYR 25 1HD TYR 25 12.709 10.201 4.956
182 HE1 TYR 25 2HE TYR 25 8.354 7.837 4.768
183 HE2 TYR 25 1HE TYR 25 12.080 8.620 6.759
184 HH TYR 25 HH TYR 25 10.260 6.404 6.703
185 H ASN 26 H ASN 26 11.334 7.765 2.336
186 HA ASN 26 HA ASN 26 14.183 7.133 3.004
187 HB2 ASN 26 2HB ASN 26 13.364 5.327 4.391
188 HB3 ASN 26 1HB ASN 26 12.526 6.809 4.834
189 HD21 ASN 26 1HD2 ASN 26 11.385 5.722 1.821
190 HD22 ASN 26 2HD2 ASN 26 10.070 4.896 2.366
191 H GLN 27 H GLN 27 12.379 6.944 0.402
192 HA GLN 27 HA GLN 27 12.374 5.593 -1.503
193 HB2 GLN 27 2HB GLN 27 14.869 4.498 -0.177
194 HB3 GLN 27 1HB GLN 27 14.421 4.258 -1.865
195 HG2 GLN 27 2HG GLN 27 14.868 6.963 -0.565
196 HG3 GLN 27 1HG GLN 27 16.038 6.126 -1.585
197 HE21 GLN 27 1HE2 GLN 27 14.133 8.665 -1.881
198 HE22 GLN 27 2HE2 GLN 27 13.527 8.467 -3.455
199 H GLN 28 H GLN 28 11.304 4.491 1.262
200 HA GLN 28 HA GLN 28 11.076 1.645 0.331
201 HB2 GLN 28 2HB GLN 28 11.071 2.788 3.136
202 HB3 GLN 28 1HB GLN 28 10.605 1.127 2.762
203 HG2 GLN 28 2HG GLN 28 12.819 0.714 1.771
204 HG3 GLN 28 1HG GLN 28 13.291 2.380 2.112
205 HE21 GLN 28 1HE2 GLN 28 14.847 2.087 3.769
206 HE22 GLN 28 2HE2 GLN 28 14.528 1.281 5.229
207 H SER 29 H SER 29 8.998 0.817 0.118
208 HA SER 29 HA SER 29 6.782 2.758 0.490
209 HB2 SER 29 2HB SER 29 6.576 0.044 -0.807
210 HB3 SER 29 1HB SER 29 5.512 1.433 -1.018
211 HG SER 29 HG SER 29 6.801 2.089 -2.533
212 H SER 30 H SER 30 5.295 2.501 2.103
213 HA SER 30 HA SER 30 5.365 -0.015 3.646
214 HB2 SER 30 2HB SER 30 6.215 1.960 4.895
215 HB3 SER 30 1HB SER 30 4.662 2.749 4.640
216 HG SER 30 HG SER 30 3.689 1.235 5.904
217 H CYS 31 H CYS 31 3.577 -1.153 2.892
218 HA CYS 31 HA CYS 31 1.196 0.131 1.987
219 HB2 CYS 31 2HB CYS 31 2.151 -2.538 2.163
220 HB3 CYS 31 1HB CYS 31 0.587 -2.498 2.970
221 H GLU 32 H GLU 32 -0.900 0.216 3.021
222 HA GLU 32 HA GLU 32 -0.894 -0.160 5.969
223 HB2 GLU 32 2HB GLU 32 -1.548 2.431 4.549
224 HB3 GLU 32 1HB GLU 32 -1.932 2.108 6.241
225 HG2 GLU 32 2HG GLU 32 0.473 1.712 6.693
226 HG3 GLU 32 1HG GLU 32 0.838 2.083 5.009
227 H ARG 33 H ARG 33 -2.838 -0.824 6.730
228 HA ARG 33 HA ARG 33 -4.918 -1.549 4.847
229 HB2 ARG 33 2HB ARG 33 -4.848 -3.087 6.565
230 HB3 ARG 33 1HB ARG 33 -4.398 -1.889 7.769
231 HG2 ARG 33 2HG ARG 33 -7.134 -1.565 6.635
232 HG3 ARG 33 1HG ARG 33 -6.877 -3.024 7.582
233 HD2 ARG 33 2HD ARG 33 -5.792 -0.537 8.793
234 HD3 ARG 33 1HD ARG 33 -7.548 -0.640 8.694
235 HE ARG 33 HE ARG 33 -6.415 -3.078 9.769
236 HH11 ARG 33 1HH2 ARG 33 -7.317 0.184 10.370
237 HH12 ARG 33 2HH2 ARG 33 -7.504 -0.029 12.080
238 HH21 ARG 33 2HH1 ARG 33 -6.656 -3.401 12.006
239 HH22 ARG 33 1HH1 ARG 33 -7.121 -2.068 13.010
240 H LYS 34 H LYS 34 -5.562 0.596 3.990
241 HA LYS 34 HA LYS 34 -7.302 2.031 5.880
242 HB2 LYS 34 2HB LYS 34 -6.098 3.618 3.681
243 HB3 LYS 34 1HB LYS 34 -6.565 4.124 5.297
244 HG2 LYS 34 2HG LYS 34 -4.617 3.039 6.257
245 HG3 LYS 34 1HG LYS 34 -4.183 2.367 4.685
246 HD2 LYS 34 2HD LYS 34 -2.811 4.289 4.915
247 HD3 LYS 34 1HD LYS 34 -4.111 4.779 3.833
248 HE2 LYS 34 2HE LYS 34 -5.250 5.952 5.583
249 HE3 LYS 34 1HE LYS 34 -4.222 5.236 6.823
250 HZ1 LYS 34 3HZ LYS 34 -2.569 6.681 6.406
251 HZ2 LYS 34 1HZ LYS 34 -3.805 7.640 5.748
252 HZ3 LYS 34 2HZ LYS 34 -2.837 6.686 4.729
253 H TRP 35 H TRP 35 -6.770 0.741 2.773
254 HA TRP 35 HA TRP 35 -9.554 1.464 1.947
255 HB2 TRP 35 2HB TRP 35 -7.316 0.784 0.025
256 HB3 TRP 35 1HB TRP 35 -8.849 1.583 -0.320
257 HD1 TRP 35 HD TRP 35 -5.723 2.243 1.871
258 HE1 TRP 35 1HE TRP 35 -5.235 4.777 1.828
259 HE3 TRP 35 3HE TRP 35 -9.593 3.837 -1.053
260 HZ2 TRP 35 2HZ TRP 35 -6.346 7.167 0.701
261 HZ3 TRP 35 3HZ TRP 35 -9.857 6.241 -1.593
262 HH2 TRP 35 HH TRP 35 -8.241 7.907 -0.723
263 H LYS 36 H LYS 36 -9.812 -0.287 -0.148
264 HA LYS 36 HA LYS 36 -10.605 -2.524 -0.385
265 HB2 LYS 36 2HB LYS 36 -7.802 -3.190 0.486
266 HB3 LYS 36 1HB LYS 36 -8.752 -3.932 -0.797
267 HG2 LYS 36 2HG LYS 36 -8.141 -2.357 -2.332
268 HG3 LYS 36 1HG LYS 36 -8.215 -1.040 -1.166
269 HD2 LYS 36 2HD LYS 36 -6.079 -1.832 -0.165
270 HD3 LYS 36 1HD LYS 36 -5.989 -3.082 -1.402
271 HE2 LYS 36 2HE LYS 36 -6.342 -0.247 -2.302
272 HE3 LYS 36 1HE LYS 36 -4.755 -0.750 -1.722
273 HZ1 LYS 36 3HZ LYS 36 -6.039 -1.381 -4.170
274 HZ2 LYS 36 1HZ LYS 36 -5.623 -2.794 -3.331
275 HZ3 LYS 36 2HZ LYS 36 -4.427 -1.645 -3.700
276 H TYR 37 H TYR 37 -10.694 -1.368 2.501
277 HA TYR 37 HA TYR 37 -10.222 -3.960 3.957
278 HB2 TYR 37 2HB TYR 37 -9.343 -1.630 4.751
279 HB3 TYR 37 1HB TYR 37 -10.997 -1.409 5.325
280 HD1 TYR 37 1HD TYR 37 -8.382 -4.098 5.279
281 HD2 TYR 37 2HD TYR 37 -11.440 -2.084 7.523
282 HE1 TYR 37 1HE TYR 37 -7.901 -5.549 7.229
283 HE2 TYR 37 2HE TYR 37 -10.955 -3.531 9.477
284 HH TYR 37 HH TYR 37 -8.423 -6.039 9.324
285 H LEU 38 H LEU 38 -12.731 -1.836 2.957
286 HA LEU 38 HA LEU 38 -14.983 -1.838 4.062
287 HB2 LEU 38 2HB LEU 38 -14.698 -2.303 1.566
288 HB3 LEU 38 1HB LEU 38 -14.885 -4.004 1.956
289 HG LEU 38 HG LEU 38 -17.134 -3.813 1.986
290 HD11 LEU 38 1HD1 LEU 38 -17.047 -3.055 4.337
291 HD12 LEU 38 2HD1 LEU 38 -18.365 -2.291 3.465
292 HD13 LEU 38 3HD1 LEU 38 -16.898 -1.385 3.792
293 HD21 LEU 38 3HD2 LEU 38 -16.302 -1.723 0.402
294 HD22 LEU 38 1HD2 LEU 38 -17.355 -0.895 1.546
295 HD23 LEU 38 2HD2 LEU 38 -17.976 -2.235 0.584
296 H PHE 39 H PHE 39 -15.850 -4.915 3.175
297 HA PHE 39 HA PHE 39 -16.431 -5.726 5.827
298 HB2 PHE 39 2HB PHE 39 -17.677 -6.684 3.990
299 HB3 PHE 39 1HB PHE 39 -16.203 -7.352 3.294
300 HD1 PHE 39 1HD PHE 39 -17.014 -7.333 6.939
301 HD2 PHE 39 2HD PHE 39 -16.802 -9.662 3.331
302 HE1 PHE 39 1HE PHE 39 -17.305 -9.402 8.259
303 HE2 PHE 39 2HE PHE 39 -17.097 -11.735 4.659
304 HZ PHE 39 HZ PHE 39 -17.345 -11.606 7.122
305 H THR 40 H THR 40 -13.820 -6.602 3.694
306 HA THR 40 HA THR 40 -12.101 -7.246 5.987
307 HB THR 40 HB THR 40 -13.030 -9.414 5.744
308 HG1 THR 40 1HG THR 40 -10.748 -9.366 5.696
309 HG21 THR 40 3HG2 THR 40 -12.515 -9.809 2.873
310 HG22 THR 40 1HG2 THR 40 -13.760 -8.606 3.198
311 HG23 THR 40 2HG2 THR 40 -13.929 -10.244 3.827
312 H GLY 41 H GLY 41 -11.421 -8.654 2.935
313 HA2 GLY 41 2HA GLY 41 -9.310 -6.590 2.497
314 HA3 GLY 41 1HA GLY 41 -9.224 -8.250 1.913
315 H GLU 42 H GLU 42 -10.233 -8.778 -0.047
316 HA GLU 42 HA GLU 42 -11.167 -8.376 -2.155
317 HB2 GLU 42 2HB GLU 42 -13.296 -7.746 -1.660
318 HB3 GLU 42 1HB GLU 42 -12.778 -6.815 -0.261
319 HG2 GLU 42 2HG GLU 42 -13.794 -5.254 -1.749
320 HG3 GLU 42 1HG GLU 42 -12.070 -4.986 -1.915
321 H CYS 43 H CYS 43 -9.544 -7.707 -3.511
322 HA CYS 43 HA CYS 43 -9.091 -4.801 -3.782
323 HB2 CYS 43 2HB CYS 43 -7.223 -4.864 -2.499
324 HB3 CYS 43 1HB CYS 43 -7.200 -6.623 -2.486
325 HXT CYS 43 2HT CYS 43 -8.687 -5.628 -7.069
Start of MODEL 13
1 H1 CYS 1 1H CYS 1 5.605 -10.078 -0.663
2 H2 CYS 1 2H CYS 1 4.172 -10.768 -0.115
3 H3 CYS 1 3H CYS 1 4.547 -10.798 -1.754
4 HA CYS 1 HA CYS 1 4.386 -8.398 -1.887
5 HB2 CYS 1 2HB CYS 1 1.923 -8.264 -1.479
6 HB3 CYS 1 1HB CYS 1 2.369 -9.738 -2.335
7 H GLY 2 H GLY 2 4.142 -6.401 -0.731
8 HA2 GLY 2 2HA GLY 2 4.831 -6.544 2.108
9 HA3 GLY 2 1HA GLY 2 4.617 -5.066 1.168
10 H SER 3 H SER 3 3.424 -6.367 3.798
11 HA SER 3 HA SER 3 0.564 -5.746 3.163
12 HB2 SER 3 2HB SER 3 -0.104 -7.265 4.792
13 HB3 SER 3 1HB SER 3 1.350 -8.052 4.184
14 HG SER 3 HG SER 3 0.872 -7.386 6.636
15 H LYS 4 H LYS 4 -0.182 -5.366 5.917
16 HA LYS 4 HA LYS 4 -0.031 -2.670 6.324
17 HB2 LYS 4 2HB LYS 4 -1.080 -4.453 7.873
18 HB3 LYS 4 1HB LYS 4 0.496 -4.513 8.661
19 HG2 LYS 4 2HG LYS 4 -0.072 -1.766 8.421
20 HG3 LYS 4 1HG LYS 4 -1.601 -2.500 8.899
21 HD2 LYS 4 2HD LYS 4 -0.372 -3.683 10.750
22 HD3 LYS 4 1HD LYS 4 1.060 -2.745 10.323
23 HE2 LYS 4 2HE LYS 4 -0.362 -0.656 10.607
24 HE3 LYS 4 1HE LYS 4 -1.600 -1.697 11.310
25 HZ1 LYS 4 3HZ LYS 4 1.126 -1.913 12.344
26 HZ2 LYS 4 1HZ LYS 4 -0.354 -2.104 13.149
27 HZ3 LYS 4 2HZ LYS 4 0.219 -0.546 12.785
28 H ARG 5 H ARG 5 1.662 -1.268 6.334
29 HA ARG 5 HA ARG 5 3.860 -0.499 6.526
30 HB2 ARG 5 2HB ARG 5 3.319 -2.030 9.038
31 HB3 ARG 5 1HB ARG 5 4.994 -1.593 8.709
32 HG2 ARG 5 2HG ARG 5 3.973 0.805 8.261
33 HG3 ARG 5 1HG ARG 5 2.634 0.197 9.237
34 HD2 ARG 5 2HD ARG 5 4.449 -0.534 10.928
35 HD3 ARG 5 1HD ARG 5 5.531 0.520 10.023
36 HE ARG 5 HE ARG 5 3.039 1.805 10.897
37 HH11 ARG 5 1HH2 ARG 5 6.350 1.042 11.489
38 HH12 ARG 5 2HH2 ARG 5 6.560 2.270 12.690
39 HH21 ARG 5 2HH1 ARG 5 3.294 3.405 12.496
40 HH22 ARG 5 1HH1 ARG 5 4.835 3.602 13.263
41 H ALA 6 H ALA 6 4.586 -1.601 4.627
42 HA ALA 6 HA ALA 6 6.728 -3.484 5.118
43 HB1 ALA 6 1HB ALA 6 4.311 -4.600 3.684
44 HB2 ALA 6 2HB ALA 6 4.686 -4.946 5.369
45 HB3 ALA 6 3HB ALA 6 5.790 -5.462 4.096
46 H TRP 7 H TRP 7 8.149 -3.302 3.524
47 HA TRP 7 HA TRP 7 8.141 -1.495 1.460
48 HB2 TRP 7 2HB TRP 7 10.174 -2.506 2.023
49 HB3 TRP 7 1HB TRP 7 9.518 -4.131 1.854
50 HD1 TRP 7 HD TRP 7 11.095 -1.321 -0.083
51 HE1 TRP 7 1HE TRP 7 11.556 -2.110 -2.499
52 HE3 TRP 7 3HE TRP 7 8.558 -5.741 -0.050
53 HZ2 TRP 7 2HZ TRP 7 10.923 -4.327 -4.179
54 HZ3 TRP 7 3HZ TRP 7 8.494 -7.175 -2.069
55 HH2 TRP 7 HH TRP 7 9.674 -6.476 -4.137
56 H CYS 8 H CYS 8 7.314 -1.372 -0.589
57 HA CYS 8 HA CYS 8 5.998 -3.802 -1.774
58 HB2 CYS 8 2HB CYS 8 4.012 -2.739 -1.678
59 HB3 CYS 8 1HB CYS 8 4.762 -1.341 -0.920
60 H LYS 9 H LYS 9 6.166 -3.898 -4.103
61 HA LYS 9 HA LYS 9 8.286 -2.120 -5.199
62 HB2 LYS 9 2HB LYS 9 8.287 -4.711 -5.442
63 HB3 LYS 9 1HB LYS 9 7.067 -4.447 -6.687
64 HG2 LYS 9 2HG LYS 9 8.601 -2.928 -7.881
65 HG3 LYS 9 1HG LYS 9 9.817 -3.160 -6.630
66 HD2 LYS 9 2HD LYS 9 8.673 -5.493 -8.174
67 HD3 LYS 9 1HD LYS 9 10.043 -4.570 -8.783
68 HE2 LYS 9 2HE LYS 9 10.592 -5.193 -6.053
69 HE3 LYS 9 1HE LYS 9 10.050 -6.673 -6.832
70 HZ1 LYS 9 3HZ LYS 9 12.193 -6.754 -7.468
71 HZ2 LYS 9 1HZ LYS 9 12.431 -5.081 -7.323
72 HZ3 LYS 9 2HZ LYS 9 11.665 -5.713 -8.702
73 H GLU 10 H GLU 10 4.963 -3.177 -5.917
74 HA GLU 10 HA GLU 10 4.552 -0.685 -7.515
75 HB2 GLU 10 2HB GLU 10 3.214 -3.272 -8.307
76 HB3 GLU 10 1HB GLU 10 3.503 -1.837 -9.285
77 HG2 GLU 10 2HG GLU 10 5.839 -2.346 -9.491
78 HG3 GLU 10 1HG GLU 10 5.731 -3.618 -8.276
79 H LYS 11 H LYS 11 2.169 -0.184 -7.718
80 HA LYS 11 HA LYS 11 0.891 -0.239 -5.200
81 HB2 LYS 11 2HB LYS 11 0.284 1.348 -7.017
82 HB3 LYS 11 1HB LYS 11 -0.472 0.022 -7.898
83 HG2 LYS 11 2HG LYS 11 -2.271 -0.095 -6.467
84 HG3 LYS 11 1HG LYS 11 -1.318 0.369 -5.058
85 HD2 LYS 11 2HD LYS 11 -2.824 2.181 -5.507
86 HD3 LYS 11 1HD LYS 11 -1.224 2.714 -6.019
87 HE2 LYS 11 2HE LYS 11 -1.748 2.301 -8.333
88 HE3 LYS 11 1HE LYS 11 -3.256 1.493 -7.905
89 HZ1 LYS 11 3HZ LYS 11 -3.558 3.848 -6.683
90 HZ2 LYS 11 1HZ LYS 11 -4.128 3.518 -8.246
91 HZ3 LYS 11 2HZ LYS 11 -2.645 4.322 -8.035
92 H LYS 12 H LYS 12 0.844 -2.583 -7.821
93 HA LYS 12 HA LYS 12 -1.273 -4.139 -6.485
94 HB2 LYS 12 2HB LYS 12 -0.251 -5.699 -8.527
95 HB3 LYS 12 1HB LYS 12 -1.648 -4.644 -8.652
96 HG2 LYS 12 2HG LYS 12 -0.090 -2.777 -9.304
97 HG3 LYS 12 1HG LYS 12 1.219 -3.957 -9.351
98 HD2 LYS 12 2HD LYS 12 -1.208 -4.738 -10.867
99 HD3 LYS 12 1HD LYS 12 -0.368 -3.326 -11.498
100 HE2 LYS 12 2HE LYS 12 0.372 -5.641 -12.370
101 HE3 LYS 12 1HE LYS 12 1.634 -4.525 -11.856
102 HZ1 LYS 12 3HZ LYS 12 0.457 -6.485 -9.986
103 HZ2 LYS 12 1HZ LYS 12 1.938 -5.666 -9.867
104 HZ3 LYS 12 2HZ LYS 12 1.744 -6.907 -11.012
105 H ASP 13 H ASP 13 2.087 -3.793 -6.237
106 HA ASP 13 HA ASP 13 2.694 -6.600 -5.706
107 HB2 ASP 13 2HB ASP 13 4.336 -4.715 -6.464
108 HB3 ASP 13 1HB ASP 13 4.424 -4.340 -4.743
109 H CYS 14 H CYS 14 0.981 -4.324 -3.924
110 HA CYS 14 HA CYS 14 2.033 -5.127 -1.308
111 HB2 CYS 14 2HB CYS 14 -0.131 -3.289 -2.298
112 HB3 CYS 14 1HB CYS 14 -0.148 -3.826 -0.635
113 H CYS 15 H CYS 15 0.995 -6.640 0.037
114 HA CYS 15 HA CYS 15 -0.380 -8.774 -1.044
115 HB2 CYS 15 2HB CYS 15 -0.728 -7.638 1.741
116 HB3 CYS 15 1HB CYS 15 -1.036 -9.282 1.232
117 H CYS 16 H CYS 16 -2.559 -9.283 -1.330
118 HA CYS 16 HA CYS 16 -4.383 -7.306 -2.098
119 HB2 CYS 16 2HB CYS 16 -4.442 -10.103 -1.780
120 HB3 CYS 16 1HB CYS 16 -5.772 -9.511 -0.789
121 H GLY 17 H GLY 17 -5.750 -5.929 -0.967
122 HA2 GLY 17 2HA GLY 17 -7.068 -5.271 0.961
123 HA3 GLY 17 1HA GLY 17 -6.133 -6.395 1.942
124 H TYR 18 H TYR 18 -3.875 -4.897 0.027
125 HA TYR 18 HA TYR 18 -3.619 -2.541 1.919
126 HB2 TYR 18 2HB TYR 18 -1.388 -4.481 1.251
127 HB3 TYR 18 1HB TYR 18 -1.263 -3.052 2.273
128 HD1 TYR 18 2HD TYR 18 -2.619 -6.468 2.018
129 HD2 TYR 18 1HD TYR 18 -2.219 -2.996 4.513
130 HE1 TYR 18 2HE TYR 18 -3.342 -7.799 3.977
131 HE2 TYR 18 1HE TYR 18 -2.944 -4.329 6.476
132 HH TYR 18 HH TYR 18 -3.412 -7.817 6.254
133 H ASN 19 H ASN 19 -2.611 -0.719 0.985
134 HA ASN 19 HA ASN 19 -2.122 -0.899 -1.963
135 HB2 ASN 19 2HB ASN 19 -2.800 1.323 -2.149
136 HB3 ASN 19 1HB ASN 19 -3.795 0.797 -0.790
137 HD21 ASN 19 1HD2 ASN 19 -2.001 3.382 -1.683
138 HD22 ASN 19 2HD2 ASN 19 -1.390 3.874 -0.176
139 H CYS 20 H CYS 20 -0.360 0.818 -2.668
140 HA CYS 20 HA CYS 20 2.035 0.305 -1.016
141 HB2 CYS 20 2HB CYS 20 1.505 1.135 -3.855
142 HB3 CYS 20 1HB CYS 20 3.077 1.347 -3.159
143 H VAL 21 H VAL 21 2.912 1.917 0.204
144 HA VAL 21 HA VAL 21 2.153 4.751 -0.424
145 HB VAL 21 HB VAL 21 2.211 3.263 2.182
146 HG11 VAL 21 1HG1 VAL 21 3.705 5.688 1.865
147 HG12 VAL 21 2HG1 VAL 21 3.346 4.819 3.354
148 HG13 VAL 21 3HG1 VAL 21 2.250 6.071 2.777
149 HG21 VAL 21 3HG2 VAL 21 0.032 3.729 1.505
150 HG22 VAL 21 1HG2 VAL 21 0.468 5.290 0.811
151 HG23 VAL 21 2HG2 VAL 21 0.375 5.101 2.558
152 H TYR 22 H TYR 22 3.889 5.882 -1.089
153 HA TYR 22 HA TYR 22 6.576 4.684 -0.744
154 HB2 TYR 22 2HB TYR 22 5.580 6.153 -2.694
155 HB3 TYR 22 1HB TYR 22 6.093 7.500 -1.680
156 HD1 TYR 22 2HD TYR 22 7.321 4.305 -3.178
157 HD2 TYR 22 1HD TYR 22 8.341 8.215 -1.718
158 HE1 TYR 22 2HE TYR 22 9.644 3.998 -3.984
159 HE2 TYR 22 1HE TYR 22 10.667 7.905 -2.524
160 HH TYR 22 HH TYR 22 11.556 5.507 -4.681
161 H ALA 23 H ALA 23 7.782 4.964 1.080
162 HA ALA 23 HA ALA 23 7.113 7.217 2.904
163 HB1 ALA 23 1HB ALA 23 8.528 4.592 3.218
164 HB2 ALA 23 2HB ALA 23 7.247 5.293 4.207
165 HB3 ALA 23 3HB ALA 23 8.899 5.900 4.343
166 H TRP 24 H TRP 24 8.235 9.053 2.382
167 HA TRP 24 HA TRP 24 10.666 9.159 0.937
168 HB2 TRP 24 2HB TRP 24 10.923 11.450 1.998
169 HB3 TRP 24 1HB TRP 24 9.391 11.176 1.176
170 HD1 TRP 24 HD TRP 24 10.827 10.966 4.775
171 HE1 TRP 24 1HE TRP 24 8.962 11.615 6.419
172 HE3 TRP 24 3HE TRP 24 6.959 11.603 1.505
173 HZ2 TRP 24 2HZ TRP 24 6.193 12.318 6.363
174 HZ3 TRP 24 3HZ TRP 24 4.719 12.267 2.330
175 HH2 TRP 24 HH TRP 24 4.331 12.626 4.752
176 H TYR 25 H TYR 25 12.670 8.444 1.484
177 HA TYR 25 HA TYR 25 14.206 9.132 3.669
178 HB2 TYR 25 2HB TYR 25 12.118 7.947 4.944
179 HB3 TYR 25 1HB TYR 25 13.119 6.535 4.676
180 HD1 TYR 25 2HD TYR 25 13.374 10.081 5.870
181 HD2 TYR 25 1HD TYR 25 14.824 6.050 6.191
182 HE1 TYR 25 2HE TYR 25 14.818 10.752 7.773
183 HE2 TYR 25 1HE TYR 25 16.266 6.720 8.092
184 HH TYR 25 HH TYR 25 16.222 8.579 9.861
185 H ASN 26 H ASN 26 13.384 5.711 3.137
186 HA ASN 26 HA ASN 26 16.050 5.386 1.846
187 HB2 ASN 26 2HB ASN 26 15.459 2.869 2.502
188 HB3 ASN 26 1HB ASN 26 16.203 3.978 3.655
189 HD21 ASN 26 1HD2 ASN 26 15.219 3.514 5.617
190 HD22 ASN 26 2HD2 ASN 26 13.543 3.452 5.854
191 H GLN 27 H GLN 27 13.347 6.099 0.631
192 HA GLN 27 HA GLN 27 12.121 5.517 -1.287
193 HB2 GLN 27 2HB GLN 27 14.612 3.887 -1.895
194 HB3 GLN 27 1HB GLN 27 13.398 4.411 -3.062
195 HG2 GLN 27 2HG GLN 27 15.032 6.315 -1.360
196 HG3 GLN 27 1HG GLN 27 15.453 5.867 -3.013
197 HE21 GLN 27 1HE2 GLN 27 13.417 7.923 -1.078
198 HE22 GLN 27 2HE2 GLN 27 12.564 8.633 -2.363
199 H GLN 28 H GLN 28 11.425 4.082 0.948
200 HA GLN 28 HA GLN 28 11.074 1.271 -0.040
201 HB2 GLN 28 2HB GLN 28 12.351 1.612 2.128
202 HB3 GLN 28 1HB GLN 28 10.872 2.279 2.814
203 HG2 GLN 28 2HG GLN 28 9.951 -0.073 1.721
204 HG3 GLN 28 1HG GLN 28 11.577 -0.533 2.228
205 HE21 GLN 28 1HE2 GLN 28 11.398 -1.510 4.261
206 HE22 GLN 28 2HE2 GLN 28 10.457 -0.916 5.543
207 H SER 29 H SER 29 8.958 0.648 -0.428
208 HA SER 29 HA SER 29 6.835 2.633 0.167
209 HB2 SER 29 2HB SER 29 6.859 0.140 -1.545
210 HB3 SER 29 1HB SER 29 5.430 1.133 -1.289
211 HG SER 29 HG SER 29 6.541 1.759 -3.171
212 H SER 30 H SER 30 5.573 2.356 1.934
213 HA SER 30 HA SER 30 5.573 -0.233 3.297
214 HB2 SER 30 2HB SER 30 4.478 1.092 5.141
215 HB3 SER 30 1HB SER 30 6.093 1.646 4.715
216 HG SER 30 HG SER 30 5.029 3.187 3.324
217 H CYS 31 H CYS 31 3.907 -1.595 2.695
218 HA CYS 31 HA CYS 31 1.583 -0.659 1.318
219 HB2 CYS 31 2HB CYS 31 2.048 -3.250 2.808
220 HB3 CYS 31 1HB CYS 31 0.683 -2.943 1.751
221 H GLU 32 H GLU 32 -0.375 0.079 2.095
222 HA GLU 32 HA GLU 32 -0.997 -0.258 4.984
223 HB2 GLU 32 2HB GLU 32 -0.738 2.347 3.521
224 HB3 GLU 32 1HB GLU 32 -1.676 2.190 5.010
225 HG2 GLU 32 2HG GLU 32 1.229 1.381 4.710
226 HG3 GLU 32 1HG GLU 32 0.658 2.867 5.427
227 H ARG 33 H ARG 33 -3.218 -0.394 5.407
228 HA ARG 33 HA ARG 33 -4.963 -1.005 3.216
229 HB2 ARG 33 2HB ARG 33 -6.524 -1.612 4.804
230 HB3 ARG 33 1HB ARG 33 -5.072 -1.658 5.791
231 HG2 ARG 33 2HG ARG 33 -7.094 0.606 5.654
232 HG3 ARG 33 1HG ARG 33 -6.816 -0.478 7.004
233 HD2 ARG 33 2HD ARG 33 -4.323 0.433 6.787
234 HD3 ARG 33 1HD ARG 33 -5.143 1.811 6.054
235 HE ARG 33 HE ARG 33 -6.607 1.486 8.319
236 HH11 ARG 33 1HH2 ARG 33 -3.215 1.548 7.676
237 HH12 ARG 33 2HH2 ARG 33 -2.792 2.083 9.268
238 HH21 ARG 33 2HH1 ARG 33 -6.067 2.179 10.399
239 HH22 ARG 33 1HH1 ARG 33 -4.403 2.437 10.808
240 H LYS 34 H LYS 34 -3.949 1.522 2.641
241 HA LYS 34 HA LYS 34 -5.473 3.712 3.420
242 HB2 LYS 34 2HB LYS 34 -4.342 3.115 0.676
243 HB3 LYS 34 1HB LYS 34 -4.974 4.688 1.162
244 HG2 LYS 34 2HG LYS 34 -2.829 3.293 2.764
245 HG3 LYS 34 1HG LYS 34 -2.427 4.323 1.387
246 HD2 LYS 34 2HD LYS 34 -3.349 6.253 2.415
247 HD3 LYS 34 1HD LYS 34 -4.215 5.309 3.620
248 HE2 LYS 34 2HE LYS 34 -1.407 4.695 3.806
249 HE3 LYS 34 1HE LYS 34 -1.621 6.444 3.852
250 HZ1 LYS 34 3HZ LYS 34 -1.775 5.349 6.048
251 HZ2 LYS 34 1HZ LYS 34 -3.161 4.532 5.516
252 HZ3 LYS 34 2HZ LYS 34 -3.169 6.227 5.633
253 H TRP 35 H TRP 35 -6.633 0.942 1.917
254 HA TRP 35 HA TRP 35 -9.111 2.406 1.080
255 HB2 TRP 35 2HB TRP 35 -9.419 0.892 -0.731
256 HB3 TRP 35 1HB TRP 35 -7.738 1.405 -0.800
257 HD1 TRP 35 HD TRP 35 -7.361 -0.766 1.910
258 HE1 TRP 35 1HE TRP 35 -6.869 -3.203 1.227
259 HE3 TRP 35 3HE TRP 35 -8.817 -0.623 -2.975
260 HZ2 TRP 35 2HZ TRP 35 -7.067 -4.866 -1.108
261 HZ3 TRP 35 3HZ TRP 35 -8.650 -2.641 -4.403
262 HH2 TRP 35 HH TRP 35 -7.772 -4.761 -3.470
263 H LYS 36 H LYS 36 -10.409 -0.162 0.523
264 HA LYS 36 HA LYS 36 -11.131 -2.157 1.755
265 HB2 LYS 36 2HB LYS 36 -10.476 -0.397 4.099
266 HB3 LYS 36 1HB LYS 36 -11.691 -1.645 4.275
267 HG2 LYS 36 2HG LYS 36 -10.101 -3.357 3.550
268 HG3 LYS 36 1HG LYS 36 -8.865 -2.123 3.296
269 HD2 LYS 36 2HD LYS 36 -8.874 -1.559 5.668
270 HD3 LYS 36 1HD LYS 36 -10.208 -2.674 5.959
271 HE2 LYS 36 2HE LYS 36 -8.868 -4.573 5.582
272 HE3 LYS 36 1HE LYS 36 -7.628 -3.646 4.737
273 HZ1 LYS 36 3HZ LYS 36 -8.146 -2.808 7.459
274 HZ2 LYS 36 1HZ LYS 36 -6.670 -3.026 6.650
275 HZ3 LYS 36 2HZ LYS 36 -7.482 -4.365 7.310
276 H TYR 37 H TYR 37 -12.253 0.703 0.768
277 HA TYR 37 HA TYR 37 -15.028 -0.012 1.777
278 HB2 TYR 37 2HB TYR 37 -15.363 2.618 1.549
279 HB3 TYR 37 1HB TYR 37 -14.768 1.893 3.040
280 HD1 TYR 37 2HD TYR 37 -12.297 1.827 3.492
281 HD2 TYR 37 1HD TYR 37 -13.986 4.051 0.229
282 HE1 TYR 37 2HE TYR 37 -10.202 3.139 3.303
283 HE2 TYR 37 1HE TYR 37 -11.891 5.365 0.041
284 HH TYR 37 HH TYR 37 -9.819 5.629 0.780
285 H LEU 38 H LEU 38 -13.268 -0.061 -0.916
286 HA LEU 38 HA LEU 38 -15.571 0.085 -2.556
287 HB2 LEU 38 2HB LEU 38 -15.020 2.559 -2.124
288 HB3 LEU 38 1HB LEU 38 -13.605 2.301 -3.138
289 HG LEU 38 HG LEU 38 -14.982 1.701 -5.033
290 HD11 LEU 38 1HD1 LEU 38 -16.804 0.462 -4.293
291 HD12 LEU 38 2HD1 LEU 38 -17.589 2.008 -4.599
292 HD13 LEU 38 3HD1 LEU 38 -17.144 1.563 -2.953
293 HD21 LEU 38 3HD2 LEU 38 -15.068 4.235 -3.763
294 HD22 LEU 38 1HD2 LEU 38 -16.706 3.926 -4.340
295 HD23 LEU 38 2HD2 LEU 38 -15.351 3.886 -5.465
296 H PHE 39 H PHE 39 -13.184 1.274 -4.516
297 HA PHE 39 HA PHE 39 -12.143 0.092 -6.298
298 HB2 PHE 39 2HB PHE 39 -10.847 -0.824 -3.748
299 HB3 PHE 39 1HB PHE 39 -10.207 -1.261 -5.329
300 HD1 PHE 39 2HD PHE 39 -11.269 1.726 -3.322
301 HD2 PHE 39 1HD PHE 39 -8.739 0.191 -6.439
302 HE1 PHE 39 2HE PHE 39 -10.114 3.916 -3.467
303 HE2 PHE 39 1HE PHE 39 -7.587 2.382 -6.583
304 HZ PHE 39 HZ PHE 39 -8.273 4.244 -5.097
305 H THR 40 H THR 40 -12.197 -2.377 -3.805
306 HA THR 40 HA THR 40 -13.219 -4.513 -3.795
307 HB THR 40 HB THR 40 -14.204 -4.352 -6.602
308 HG1 THR 40 1HG THR 40 -14.688 -2.405 -4.718
309 HG21 THR 40 3HG2 THR 40 -15.566 -4.974 -3.967
310 HG22 THR 40 1HG2 THR 40 -14.799 -6.171 -5.010
311 HG23 THR 40 2HG2 THR 40 -16.216 -5.286 -5.578
312 H GLY 41 H GLY 41 -10.573 -4.151 -4.336
313 HA2 GLY 41 2HA GLY 41 -9.762 -5.362 -6.839
314 HA3 GLY 41 1HA GLY 41 -8.710 -5.051 -5.463
315 H GLU 42 H GLU 42 -11.672 -6.918 -5.276
316 HA GLU 42 HA GLU 42 -12.028 -9.076 -4.477
317 HB2 GLU 42 2HB GLU 42 -11.440 -10.675 -6.035
318 HB3 GLU 42 1HB GLU 42 -11.146 -9.217 -6.976
319 HG2 GLU 42 2HG GLU 42 -8.708 -9.482 -5.834
320 HG3 GLU 42 1HG GLU 42 -9.197 -11.170 -5.837
321 H CYS 43 H CYS 43 -10.340 -7.646 -2.763
322 HA CYS 43 HA CYS 43 -8.299 -9.623 -1.940
323 HB2 CYS 43 2HB CYS 43 -8.818 -6.734 -1.243
324 HB3 CYS 43 1HB CYS 43 -7.598 -7.716 -0.473
325 HXT CYS 43 2HT CYS 43 -9.507 -7.751 0.671
Start of MODEL 14
1 H1 CYS 1 1H CYS 1 5.481 -9.066 -1.715
2 H2 CYS 1 2H CYS 1 4.578 -10.310 -1.031
3 H3 CYS 1 3H CYS 1 4.455 -9.988 -2.678
4 HA CYS 1 HA CYS 1 3.476 -7.845 -2.227
5 HB2 CYS 1 2HB CYS 1 1.340 -8.625 -1.594
6 HB3 CYS 1 1HB CYS 1 2.084 -10.020 -2.378
7 H GLY 2 H GLY 2 3.575 -6.125 -0.825
8 HA2 GLY 2 2HA GLY 2 4.575 -6.557 1.883
9 HA3 GLY 2 1HA GLY 2 4.112 -5.002 1.186
10 H SER 3 H SER 3 3.345 -6.746 3.725
11 HA SER 3 HA SER 3 0.396 -6.230 3.498
12 HB2 SER 3 2HB SER 3 0.016 -8.092 4.992
13 HB3 SER 3 1HB SER 3 1.073 -8.664 3.704
14 HG SER 3 HG SER 3 2.797 -8.542 5.069
15 H LYS 4 H LYS 4 -0.564 -5.226 5.326
16 HA LYS 4 HA LYS 4 -0.056 -3.205 6.701
17 HB2 LYS 4 2HB LYS 4 -1.500 -4.354 8.063
18 HB3 LYS 4 1HB LYS 4 -0.580 -5.846 7.960
19 HG2 LYS 4 2HG LYS 4 0.880 -3.749 9.410
20 HG3 LYS 4 1HG LYS 4 -0.673 -4.099 10.145
21 HD2 LYS 4 2HD LYS 4 1.112 -6.378 9.323
22 HD3 LYS 4 1HD LYS 4 1.432 -5.520 10.828
23 HE2 LYS 4 2HE LYS 4 -1.073 -5.898 11.358
24 HE3 LYS 4 1HE LYS 4 -1.030 -7.085 10.056
25 HZ1 LYS 4 3HZ LYS 4 1.015 -7.153 12.171
26 HZ2 LYS 4 1HZ LYS 4 0.439 -8.416 11.197
27 HZ3 LYS 4 2HZ LYS 4 -0.521 -7.818 12.464
28 H ARG 5 H ARG 5 1.761 -2.058 6.927
29 HA ARG 5 HA ARG 5 3.938 -1.483 7.560
30 HB2 ARG 5 2HB ARG 5 3.254 -2.100 9.803
31 HB3 ARG 5 1HB ARG 5 3.471 -3.809 9.450
32 HG2 ARG 5 2HG ARG 5 5.915 -3.338 9.026
33 HG3 ARG 5 1HG ARG 5 5.633 -1.689 9.576
34 HD2 ARG 5 2HD ARG 5 5.805 -2.351 11.728
35 HD3 ARG 5 1HD ARG 5 4.522 -3.537 11.496
36 HE ARG 5 HE ARG 5 7.321 -4.138 11.649
37 HH11 ARG 5 1HH2 ARG 5 4.437 -4.889 9.904
38 HH12 ARG 5 2HH2 ARG 5 4.933 -6.500 9.522
39 HH21 ARG 5 2HH1 ARG 5 7.968 -6.246 11.160
40 HH22 ARG 5 1HH1 ARG 5 6.925 -7.266 10.228
41 H ALA 6 H ALA 6 4.755 -2.083 5.485
42 HA ALA 6 HA ALA 6 6.917 -3.909 5.514
43 HB1 ALA 6 1HB ALA 6 5.681 -5.526 3.761
44 HB2 ALA 6 2HB ALA 6 4.292 -5.071 4.741
45 HB3 ALA 6 3HB ALA 6 5.682 -5.846 5.495
46 H TRP 7 H TRP 7 8.197 -3.441 3.850
47 HA TRP 7 HA TRP 7 7.767 -1.324 2.088
48 HB2 TRP 7 2HB TRP 7 9.991 -2.045 2.434
49 HB3 TRP 7 1HB TRP 7 9.608 -3.706 1.992
50 HD1 TRP 7 HD TRP 7 9.481 -0.233 0.264
51 HE1 TRP 7 1HE TRP 7 10.257 -0.538 -2.175
52 HE3 TRP 7 3HE TRP 7 10.285 -5.271 0.225
53 HZ2 TRP 7 2HZ TRP 7 11.119 -2.643 -3.912
54 HZ3 TRP 7 3HZ TRP 7 11.087 -6.403 -1.830
55 HH2 TRP 7 HH TRP 7 11.504 -5.097 -3.896
56 H CYS 8 H CYS 8 6.681 -1.053 0.239
57 HA CYS 8 HA CYS 8 5.657 -3.495 -1.208
58 HB2 CYS 8 2HB CYS 8 3.738 -2.179 -1.888
59 HB3 CYS 8 1HB CYS 8 3.896 -2.001 -0.149
60 H LYS 9 H LYS 9 5.864 -3.389 -3.548
61 HA LYS 9 HA LYS 9 7.960 -1.479 -4.405
62 HB2 LYS 9 2HB LYS 9 7.804 -4.080 -4.884
63 HB3 LYS 9 1HB LYS 9 6.776 -3.559 -6.214
64 HG2 LYS 9 2HG LYS 9 8.511 -2.507 -7.333
65 HG3 LYS 9 1HG LYS 9 9.382 -2.133 -5.848
66 HD2 LYS 9 2HD LYS 9 9.908 -4.575 -5.603
67 HD3 LYS 9 1HD LYS 9 9.171 -4.845 -7.182
68 HE2 LYS 9 2HE LYS 9 11.064 -4.198 -8.220
69 HE3 LYS 9 1HE LYS 9 11.058 -2.660 -7.357
70 HZ1 LYS 9 3HZ LYS 9 11.972 -3.983 -5.414
71 HZ2 LYS 9 1HZ LYS 9 13.024 -3.710 -6.715
72 HZ3 LYS 9 2HZ LYS 9 12.277 -5.225 -6.532
73 H GLU 10 H GLU 10 4.685 -2.483 -5.361
74 HA GLU 10 HA GLU 10 4.070 0.237 -6.276
75 HB2 GLU 10 2HB GLU 10 3.331 -1.820 -8.299
76 HB3 GLU 10 1HB GLU 10 3.838 -0.149 -8.530
77 HG2 GLU 10 2HG GLU 10 6.184 -0.820 -8.033
78 HG3 GLU 10 1HG GLU 10 5.651 -2.496 -7.893
79 H LYS 11 H LYS 11 1.585 -0.041 -7.268
80 HA LYS 11 HA LYS 11 0.058 -0.944 -5.042
81 HB2 LYS 11 2HB LYS 11 -1.132 0.591 -6.315
82 HB3 LYS 11 1HB LYS 11 -0.610 -0.115 -7.841
83 HG2 LYS 11 2HG LYS 11 -2.307 -1.661 -7.871
84 HG3 LYS 11 1HG LYS 11 -2.292 -1.875 -6.122
85 HD2 LYS 11 2HD LYS 11 -3.567 0.110 -5.770
86 HD3 LYS 11 1HD LYS 11 -3.349 0.629 -7.443
87 HE2 LYS 11 2HE LYS 11 -4.952 -0.817 -8.244
88 HE3 LYS 11 1HE LYS 11 -4.608 -2.046 -7.025
89 HZ1 LYS 11 3HZ LYS 11 -5.955 -1.053 -5.508
90 HZ2 LYS 11 1HZ LYS 11 -6.778 -0.619 -6.926
91 HZ3 LYS 11 2HZ LYS 11 -5.758 0.505 -6.159
92 H LYS 12 H LYS 12 0.759 -2.577 -8.158
93 HA LYS 12 HA LYS 12 -0.824 -4.859 -7.523
94 HB2 LYS 12 2HB LYS 12 1.452 -4.660 -9.422
95 HB3 LYS 12 1HB LYS 12 0.161 -5.822 -9.453
96 HG2 LYS 12 2HG LYS 12 -1.348 -3.626 -9.517
97 HG3 LYS 12 1HG LYS 12 0.116 -2.937 -10.214
98 HD2 LYS 12 2HD LYS 12 -1.116 -5.496 -11.264
99 HD3 LYS 12 1HD LYS 12 -1.583 -3.908 -11.867
100 HE2 LYS 12 2HE LYS 12 0.778 -3.444 -12.453
101 HE3 LYS 12 1HE LYS 12 1.222 -5.052 -11.879
102 HZ1 LYS 12 3HZ LYS 12 -0.527 -4.358 -14.165
103 HZ2 LYS 12 1HZ LYS 12 -0.467 -5.919 -13.504
104 HZ3 LYS 12 2HZ LYS 12 0.928 -5.235 -14.195
105 H ASP 13 H ASP 13 2.157 -3.825 -6.288
106 HA ASP 13 HA ASP 13 3.041 -6.602 -5.720
107 HB2 ASP 13 2HB ASP 13 4.369 -4.029 -6.053
108 HB3 ASP 13 1HB ASP 13 4.902 -4.860 -4.600
109 H CYS 14 H CYS 14 0.878 -4.648 -4.349
110 HA CYS 14 HA CYS 14 1.821 -5.086 -1.544
111 HB2 CYS 14 2HB CYS 14 0.909 -2.813 -2.285
112 HB3 CYS 14 1HB CYS 14 -0.664 -3.587 -2.409
113 H CYS 15 H CYS 15 0.789 -6.644 -0.290
114 HA CYS 15 HA CYS 15 -0.741 -8.664 -1.536
115 HB2 CYS 15 2HB CYS 15 0.265 -8.128 1.085
116 HB3 CYS 15 1HB CYS 15 -1.424 -8.608 1.237
117 H CYS 16 H CYS 16 -2.912 -9.112 -1.621
118 HA CYS 16 HA CYS 16 -4.712 -7.069 -2.094
119 HB2 CYS 16 2HB CYS 16 -5.144 -9.880 -1.085
120 HB3 CYS 16 1HB CYS 16 -6.435 -8.837 -1.639
121 H GLY 17 H GLY 17 -6.024 -5.809 -0.849
122 HA2 GLY 17 2HA GLY 17 -7.215 -5.183 1.147
123 HA3 GLY 17 1HA GLY 17 -6.303 -6.398 2.047
124 H TYR 18 H TYR 18 -4.118 -4.883 0.051
125 HA TYR 18 HA TYR 18 -3.591 -2.664 2.047
126 HB2 TYR 18 2HB TYR 18 -1.585 -4.715 1.090
127 HB3 TYR 18 1HB TYR 18 -1.188 -3.260 2.005
128 HD1 TYR 18 2HD TYR 18 -2.284 -2.914 4.256
129 HD2 TYR 18 1HD TYR 18 -2.284 -6.652 2.165
130 HE1 TYR 18 2HE TYR 18 -2.811 -4.085 6.376
131 HE2 TYR 18 1HE TYR 18 -2.815 -7.845 4.286
132 HH TYR 18 HH TYR 18 -3.083 -6.059 7.365
133 H ASN 19 H ASN 19 -2.450 -0.886 1.181
134 HA ASN 19 HA ASN 19 -2.320 -0.827 -1.814
135 HB2 ASN 19 2HB ASN 19 -2.752 1.494 -1.694
136 HB3 ASN 19 1HB ASN 19 -3.802 0.810 -0.451
137 HD21 ASN 19 1HD2 ASN 19 -1.242 3.050 -0.991
138 HD22 ASN 19 2HD2 ASN 19 -0.877 3.367 0.635
139 H CYS 20 H CYS 20 -0.495 0.519 -2.704
140 HA CYS 20 HA CYS 20 1.962 0.186 -1.033
141 HB2 CYS 20 2HB CYS 20 1.934 -1.011 -3.199
142 HB3 CYS 20 1HB CYS 20 1.685 0.512 -4.027
143 H VAL 21 H VAL 21 3.135 2.002 -0.458
144 HA VAL 21 HA VAL 21 2.590 4.561 -1.883
145 HB VAL 21 HB VAL 21 1.145 4.422 0.179
146 HG11 VAL 21 1HG1 VAL 21 2.014 3.769 2.155
147 HG12 VAL 21 2HG1 VAL 21 3.182 5.085 2.106
148 HG13 VAL 21 3HG1 VAL 21 3.577 3.530 1.384
149 HG21 VAL 21 3HG2 VAL 21 3.277 6.530 -0.161
150 HG22 VAL 21 1HG2 VAL 21 2.051 6.677 1.097
151 HG23 VAL 21 2HG2 VAL 21 1.571 6.606 -0.598
152 H TYR 22 H TYR 22 4.374 5.946 -2.052
153 HA TYR 22 HA TYR 22 6.955 4.632 -1.365
154 HB2 TYR 22 2HB TYR 22 6.498 5.829 -3.545
155 HB3 TYR 22 1HB TYR 22 6.515 7.339 -2.638
156 HD1 TYR 22 2HD TYR 22 8.686 4.270 -2.362
157 HD2 TYR 22 1HD TYR 22 8.482 8.477 -3.201
158 HE1 TYR 22 2HE TYR 22 11.150 4.352 -2.534
159 HE2 TYR 22 1HE TYR 22 10.957 8.554 -3.379
160 HH TYR 22 HH TYR 22 12.877 5.676 -3.492
161 H ALA 23 H ALA 23 8.150 5.065 0.410
162 HA ALA 23 HA ALA 23 7.294 7.286 2.185
163 HB1 ALA 23 1HB ALA 23 7.837 4.743 2.820
164 HB2 ALA 23 2HB ALA 23 8.182 6.062 3.931
165 HB3 ALA 23 3HB ALA 23 9.474 5.384 2.946
166 H TRP 24 H TRP 24 8.226 9.102 1.212
167 HA TRP 24 HA TRP 24 10.769 9.314 0.043
168 HB2 TRP 24 2HB TRP 24 10.383 11.776 1.316
169 HB3 TRP 24 1HB TRP 24 9.825 11.341 -0.300
170 HD1 TRP 24 HD TRP 24 8.622 11.043 3.361
171 HE1 TRP 24 1HE TRP 24 6.051 11.233 3.380
172 HE3 TRP 24 3HE TRP 24 7.720 11.372 -1.657
173 HZ2 TRP 24 2HZ TRP 24 3.897 11.492 1.517
174 HZ3 TRP 24 3HZ TRP 24 5.401 11.589 -2.506
175 HH2 TRP 24 HH TRP 24 3.492 11.650 -0.927
176 H TYR 25 H TYR 25 9.879 9.613 3.532
177 HA TYR 25 HA TYR 25 12.539 10.475 4.314
178 HB2 TYR 25 2HB TYR 25 11.922 9.896 6.577
179 HB3 TYR 25 1HB TYR 25 10.544 10.644 5.780
180 HD1 TYR 25 2HD TYR 25 8.592 9.288 5.098
181 HD2 TYR 25 1HD TYR 25 11.898 7.566 7.238
182 HE1 TYR 25 2HE TYR 25 7.198 7.319 5.677
183 HE2 TYR 25 1HE TYR 25 10.493 5.608 7.832
184 HH TYR 25 HH TYR 25 8.288 4.500 6.602
185 H ASN 26 H ASN 26 11.163 7.170 4.157
186 HA ASN 26 HA ASN 26 13.874 6.100 4.739
187 HB2 ASN 26 2HB ASN 26 11.109 4.994 4.743
188 HB3 ASN 26 1HB ASN 26 12.388 3.877 4.272
189 HD21 ASN 26 1HD2 ASN 26 11.027 3.408 6.686
190 HD22 ASN 26 2HD2 ASN 26 12.059 3.732 7.993
191 H GLN 27 H GLN 27 12.349 7.257 2.072
192 HA GLN 27 HA GLN 27 12.661 6.946 -0.225
193 HB2 GLN 27 2HB GLN 27 15.177 5.576 0.783
194 HB3 GLN 27 1HB GLN 27 14.885 6.053 -0.890
195 HG2 GLN 27 2HG GLN 27 14.850 7.971 1.455
196 HG3 GLN 27 1HG GLN 27 16.234 7.733 0.388
197 HE21 GLN 27 1HE2 GLN 27 13.847 9.902 0.850
198 HE22 GLN 27 2HE2 GLN 27 13.545 10.382 -0.750
199 H GLN 28 H GLN 28 11.721 4.591 1.738
200 HA GLN 28 HA GLN 28 11.646 2.534 -0.444
201 HB2 GLN 28 2HB GLN 28 11.525 2.085 2.559
202 HB3 GLN 28 1HB GLN 28 11.381 0.830 1.330
203 HG2 GLN 28 2HG GLN 28 13.672 1.566 0.488
204 HG3 GLN 28 1HG GLN 28 13.799 2.527 1.959
205 HE21 GLN 28 1HE2 GLN 28 12.898 1.003 3.983
206 HE22 GLN 28 2HE2 GLN 28 13.694 -0.494 4.064
207 H SER 29 H SER 29 9.579 1.405 -0.617
208 HA SER 29 HA SER 29 7.332 3.168 0.135
209 HB2 SER 29 2HB SER 29 7.196 0.613 -1.436
210 HB3 SER 29 1HB SER 29 6.052 1.936 -1.438
211 HG SER 29 HG SER 29 8.619 1.773 -2.577
212 H SER 30 H SER 30 5.364 2.217 1.133
213 HA SER 30 HA SER 30 5.798 -0.283 2.591
214 HB2 SER 30 2HB SER 30 6.547 1.541 4.096
215 HB3 SER 30 1HB SER 30 4.958 2.286 3.946
216 HG SER 30 HG SER 30 4.069 0.401 4.856
217 H CYS 31 H CYS 31 3.968 -1.496 2.753
218 HA CYS 31 HA CYS 31 1.601 -0.679 1.339
219 HB2 CYS 31 2HB CYS 31 2.422 -3.047 2.968
220 HB3 CYS 31 1HB CYS 31 0.709 -2.824 2.643
221 H GLU 32 H GLU 32 -0.506 -0.135 2.239
222 HA GLU 32 HA GLU 32 -0.587 0.305 5.178
223 HB2 GLU 32 2HB GLU 32 -0.854 2.430 3.102
224 HB3 GLU 32 1HB GLU 32 -1.795 2.555 4.590
225 HG2 GLU 32 2HG GLU 32 1.199 2.291 4.353
226 HG3 GLU 32 1HG GLU 32 0.305 3.685 4.911
227 H ARG 33 H ARG 33 -2.571 0.153 6.101
228 HA ARG 33 HA ARG 33 -4.618 -1.256 4.671
229 HB2 ARG 33 2HB ARG 33 -5.188 -1.783 6.788
230 HB3 ARG 33 1HB ARG 33 -3.960 -0.673 7.372
231 HG2 ARG 33 2HG ARG 33 -6.716 0.322 6.619
232 HG3 ARG 33 1HG ARG 33 -6.396 -0.370 8.199
233 HD2 ARG 33 2HD ARG 33 -4.554 1.766 7.167
234 HD3 ARG 33 1HD ARG 33 -6.112 2.223 7.857
235 HE ARG 33 HE ARG 33 -3.819 1.155 9.326
236 HH11 ARG 33 1HH2 ARG 33 -7.235 1.616 9.169
237 HH12 ARG 33 2HH2 ARG 33 -7.454 1.555 10.886
238 HH21 ARG 33 2HH1 ARG 33 -4.087 1.078 11.567
239 HH22 ARG 33 1HH1 ARG 33 -5.673 1.250 12.245
240 H LYS 34 H LYS 34 -5.290 0.038 2.898
241 HA LYS 34 HA LYS 34 -6.640 2.558 3.607
242 HB2 LYS 34 2HB LYS 34 -5.375 1.681 1.019
243 HB3 LYS 34 1HB LYS 34 -6.504 3.030 1.096
244 HG2 LYS 34 2HG LYS 34 -5.003 4.051 2.878
245 HG3 LYS 34 1HG LYS 34 -3.814 2.799 2.501
246 HD2 LYS 34 2HD LYS 34 -3.655 3.564 0.205
247 HD3 LYS 34 1HD LYS 34 -5.004 4.666 0.427
248 HE2 LYS 34 2HE LYS 34 -2.897 5.904 0.527
249 HE3 LYS 34 1HE LYS 34 -3.685 5.930 2.103
250 HZ1 LYS 34 3HZ LYS 34 -1.689 3.868 1.426
251 HZ2 LYS 34 1HZ LYS 34 -2.202 4.386 2.957
252 HZ3 LYS 34 2HZ LYS 34 -1.213 5.391 2.008
253 H TRP 35 H TRP 35 -7.238 -0.591 3.106
254 HA TRP 35 HA TRP 35 -9.902 -0.081 1.830
255 HB2 TRP 35 2HB TRP 35 -8.711 -2.824 1.856
256 HB3 TRP 35 1HB TRP 35 -9.695 -2.040 0.618
257 HD1 TRP 35 HD TRP 35 -6.121 -2.119 1.985
258 HE1 TRP 35 1HE TRP 35 -4.516 -1.250 0.170
259 HE3 TRP 35 3HE TRP 35 -9.508 -0.627 -1.535
260 HZ2 TRP 35 2HZ TRP 35 -4.649 -0.068 -2.429
261 HZ3 TRP 35 3HZ TRP 35 -8.738 0.373 -3.671
262 HH2 TRP 35 HH TRP 35 -6.315 0.651 -4.122
263 H LYS 36 H LYS 36 -11.408 -2.050 2.532
264 HA LYS 36 HA LYS 36 -12.163 -3.543 4.289
265 HB2 LYS 36 2HB LYS 36 -10.302 -1.857 5.961
266 HB3 LYS 36 1HB LYS 36 -11.528 -2.869 6.691
267 HG2 LYS 36 2HG LYS 36 -9.493 -3.927 4.716
268 HG3 LYS 36 1HG LYS 36 -9.241 -3.941 6.460
269 HD2 LYS 36 2HD LYS 36 -11.795 -5.028 6.183
270 HD3 LYS 36 1HD LYS 36 -10.928 -5.692 4.805
271 HE2 LYS 36 2HE LYS 36 -9.103 -5.977 6.897
272 HE3 LYS 36 1HE LYS 36 -10.656 -6.331 7.651
273 HZ1 LYS 36 3HZ LYS 36 -11.103 -7.978 6.019
274 HZ2 LYS 36 1HZ LYS 36 -9.545 -8.274 6.622
275 HZ3 LYS 36 2HZ LYS 36 -9.741 -7.540 5.101
276 H TYR 37 H TYR 37 -12.937 -0.867 3.064
277 HA TYR 37 HA TYR 37 -14.705 0.114 5.326
278 HB2 TYR 37 2HB TYR 37 -13.089 1.524 3.592
279 HB3 TYR 37 1HB TYR 37 -14.651 1.628 2.784
280 HD1 TYR 37 2HD TYR 37 -12.873 2.269 5.982
281 HD2 TYR 37 1HD TYR 37 -16.416 2.990 3.663
282 HE1 TYR 37 2HE TYR 37 -13.581 4.006 7.605
283 HE2 TYR 37 1HE TYR 37 -17.123 4.726 5.286
284 HH TYR 37 HH TYR 37 -16.580 5.868 7.108
285 H LEU 38 H LEU 38 -16.459 -1.276 5.227
286 HA LEU 38 HA LEU 38 -18.743 -1.128 4.008
287 HB2 LEU 38 2HB LEU 38 -17.767 -0.690 1.796
288 HB3 LEU 38 1HB LEU 38 -16.958 -2.258 1.824
289 HG LEU 38 HG LEU 38 -19.485 -3.094 2.242
290 HD11 LEU 38 1HD1 LEU 38 -21.056 -1.758 0.928
291 HD12 LEU 38 2HD1 LEU 38 -19.788 -0.588 0.564
292 HD13 LEU 38 3HD1 LEU 38 -20.370 -0.769 2.218
293 HD21 LEU 38 3HD2 LEU 38 -18.095 -2.399 -0.347
294 HD22 LEU 38 1HD2 LEU 38 -19.635 -3.260 -0.321
295 HD23 LEU 38 2HD2 LEU 38 -18.211 -3.972 0.441
296 H PHE 39 H PHE 39 -17.011 -3.860 2.650
297 HA PHE 39 HA PHE 39 -17.168 -5.683 4.830
298 HB2 PHE 39 2HB PHE 39 -19.715 -5.102 4.079
299 HB3 PHE 39 1HB PHE 39 -19.367 -6.387 2.929
300 HD1 PHE 39 2HD PHE 39 -17.829 -8.370 4.237
301 HD2 PHE 39 1HD PHE 39 -20.873 -5.864 5.948
302 HE1 PHE 39 2HE PHE 39 -18.223 -10.058 6.003
303 HE2 PHE 39 1HE PHE 39 -21.264 -7.558 7.717
304 HZ PHE 39 HZ PHE 39 -19.943 -9.654 7.743
305 H THR 40 H THR 40 -15.510 -4.959 2.547
306 HA THR 40 HA THR 40 -14.882 -7.617 1.588
307 HB THR 40 HB THR 40 -15.788 -5.684 -0.552
308 HG1 THR 40 1HG THR 40 -17.535 -7.564 -0.399
309 HG21 THR 40 3HG2 THR 40 -15.486 -8.697 -0.544
310 HG22 THR 40 1HG2 THR 40 -14.241 -7.583 -1.111
311 HG23 THR 40 2HG2 THR 40 -15.795 -7.667 -1.943
312 H GLY 41 H GLY 41 -14.143 -5.556 -0.891
313 HA2 GLY 41 2HA GLY 41 -12.370 -3.800 -0.914
314 HA3 GLY 41 1HA GLY 41 -11.577 -4.686 0.389
315 H GLU 42 H GLU 42 -10.509 -4.022 -2.287
316 HA GLU 42 HA GLU 42 -9.825 -6.805 -3.109
317 HB2 GLU 42 2HB GLU 42 -10.134 -6.281 -5.443
318 HB3 GLU 42 1HB GLU 42 -11.621 -5.845 -4.599
319 HG2 GLU 42 2HG GLU 42 -10.478 -3.489 -4.376
320 HG3 GLU 42 1HG GLU 42 -9.487 -4.051 -5.721
321 H CYS 43 H CYS 43 -7.770 -6.931 -4.259
322 HA CYS 43 HA CYS 43 -5.721 -5.306 -3.158
323 HB2 CYS 43 2HB CYS 43 -5.073 -6.558 -5.742
324 HB3 CYS 43 1HB CYS 43 -4.364 -6.830 -4.161
325 HXT CYS 43 2HT CYS 43 -6.780 -2.776 -4.542
Start of MODEL 15
1 H1 CYS 1 1H CYS 1 5.398 -9.042 -0.413
2 H2 CYS 1 2H CYS 1 4.329 -10.022 0.440
3 H3 CYS 1 3H CYS 1 4.490 -10.203 -1.225
4 HA CYS 1 HA CYS 1 3.571 -8.017 -1.592
5 HB2 CYS 1 2HB CYS 1 1.302 -8.550 -1.055
6 HB3 CYS 1 1HB CYS 1 2.098 -10.072 -1.404
7 H GLY 2 H GLY 2 3.724 -5.978 -0.749
8 HA2 GLY 2 2HA GLY 2 4.415 -5.396 1.927
9 HA3 GLY 2 1HA GLY 2 3.625 -4.246 0.854
10 H SER 3 H SER 3 3.083 -6.705 3.300
11 HA SER 3 HA SER 3 0.189 -5.936 3.373
12 HB2 SER 3 2HB SER 3 1.234 -8.440 3.170
13 HB3 SER 3 1HB SER 3 1.130 -8.292 4.920
14 HG SER 3 HG SER 3 -0.832 -8.621 3.082
15 H LYS 4 H LYS 4 0.085 -4.237 4.821
16 HA LYS 4 HA LYS 4 0.391 -3.043 6.814
17 HB2 LYS 4 2HB LYS 4 -1.110 -4.559 7.783
18 HB3 LYS 4 1HB LYS 4 -0.030 -5.913 7.623
19 HG2 LYS 4 2HG LYS 4 1.325 -5.167 9.434
20 HG3 LYS 4 1HG LYS 4 0.562 -3.571 9.447
21 HD2 LYS 4 2HD LYS 4 -1.362 -4.359 10.477
22 HD3 LYS 4 1HD LYS 4 -1.152 -5.999 9.857
23 HE2 LYS 4 2HE LYS 4 0.777 -6.320 11.382
24 HE3 LYS 4 1HE LYS 4 0.538 -4.691 12.019
25 HZ1 LYS 4 3HZ LYS 4 -1.699 -6.601 12.010
26 HZ2 LYS 4 1HZ LYS 4 -1.417 -5.282 13.037
27 HZ3 LYS 4 2HZ LYS 4 -0.509 -6.705 13.220
28 H ARG 5 H ARG 5 2.323 -2.065 7.014
29 HA ARG 5 HA ARG 5 4.609 -1.740 7.359
30 HB2 ARG 5 2HB ARG 5 5.075 -3.941 9.217
31 HB3 ARG 5 1HB ARG 5 5.120 -2.207 9.519
32 HG2 ARG 5 2HG ARG 5 2.591 -2.257 9.633
33 HG3 ARG 5 1HG ARG 5 2.715 -4.007 9.552
34 HD2 ARG 5 2HD ARG 5 2.538 -3.302 11.878
35 HD3 ARG 5 1HD ARG 5 4.100 -4.044 11.564
36 HE ARG 5 HE ARG 5 3.667 -1.088 11.776
37 HH11 ARG 5 1HH2 ARG 5 5.625 -3.938 12.006
38 HH12 ARG 5 2HH2 ARG 5 6.977 -3.101 12.687
39 HH21 ARG 5 2HH1 ARG 5 5.427 -0.080 12.680
40 HH22 ARG 5 1HH1 ARG 5 6.866 -0.891 13.069
41 H ALA 6 H ALA 6 5.115 -2.475 5.224
42 HA ALA 6 HA ALA 6 7.110 -4.507 5.103
43 HB1 ALA 6 1HB ALA 6 4.323 -5.326 4.285
44 HB2 ALA 6 2HB ALA 6 5.481 -6.211 5.282
45 HB3 ALA 6 3HB ALA 6 5.743 -6.066 3.544
46 H TRP 7 H TRP 7 8.361 -3.714 3.512
47 HA TRP 7 HA TRP 7 7.746 -1.672 1.751
48 HB2 TRP 7 2HB TRP 7 10.025 -2.146 1.942
49 HB3 TRP 7 1HB TRP 7 9.794 -3.867 1.622
50 HD1 TRP 7 HD TRP 7 8.928 -0.631 -0.331
51 HE1 TRP 7 1HE TRP 7 9.639 -0.966 -2.787
52 HE3 TRP 7 3HE TRP 7 10.863 -5.345 -0.045
53 HZ2 TRP 7 2HZ TRP 7 10.870 -2.972 -4.413
54 HZ3 TRP 7 3HZ TRP 7 11.798 -6.446 -2.059
55 HH2 TRP 7 HH TRP 7 11.802 -5.267 -4.240
56 H CYS 8 H CYS 8 6.956 -1.481 -0.337
57 HA CYS 8 HA CYS 8 5.945 -3.986 -1.653
58 HB2 CYS 8 2HB CYS 8 4.099 -2.465 -2.585
59 HB3 CYS 8 1HB CYS 8 3.953 -2.919 -0.894
60 H LYS 9 H LYS 9 6.107 -3.970 -3.953
61 HA LYS 9 HA LYS 9 8.195 -2.167 -5.003
62 HB2 LYS 9 2HB LYS 9 8.172 -4.612 -5.551
63 HB3 LYS 9 1HB LYS 9 6.651 -4.372 -6.394
64 HG2 LYS 9 2HG LYS 9 7.801 -2.681 -7.862
65 HG3 LYS 9 1HG LYS 9 9.323 -3.170 -7.111
66 HD2 LYS 9 2HD LYS 9 8.960 -5.489 -7.831
67 HD3 LYS 9 1HD LYS 9 7.413 -5.035 -8.551
68 HE2 LYS 9 2HE LYS 9 8.669 -3.395 -10.030
69 HE3 LYS 9 1HE LYS 9 10.168 -4.096 -9.389
70 HZ1 LYS 9 3HZ LYS 9 9.312 -6.290 -10.143
71 HZ2 LYS 9 1HZ LYS 9 9.622 -5.199 -11.405
72 HZ3 LYS 9 2HZ LYS 9 8.024 -5.479 -10.899
73 H GLU 10 H GLU 10 4.743 -2.645 -5.209
74 HA GLU 10 HA GLU 10 4.280 -0.058 -6.436
75 HB2 GLU 10 2HB GLU 10 5.022 -1.706 -8.335
76 HB3 GLU 10 1HB GLU 10 3.419 -2.380 -8.142
77 HG2 GLU 10 2HG GLU 10 3.146 -0.737 -9.818
78 HG3 GLU 10 1HG GLU 10 2.592 0.070 -8.357
79 H LYS 11 H LYS 11 1.809 -0.762 -7.600
80 HA LYS 11 HA LYS 11 0.113 -0.921 -5.247
81 HB2 LYS 11 2HB LYS 11 -0.768 0.332 -7.068
82 HB3 LYS 11 1HB LYS 11 -0.460 -0.964 -8.219
83 HG2 LYS 11 2HG LYS 11 -2.235 -1.665 -5.930
84 HG3 LYS 11 1HG LYS 11 -2.899 -0.512 -7.082
85 HD2 LYS 11 2HD LYS 11 -3.023 -2.052 -8.778
86 HD3 LYS 11 1HD LYS 11 -1.540 -2.866 -8.292
87 HE2 LYS 11 2HE LYS 11 -2.913 -3.699 -6.251
88 HE3 LYS 11 1HE LYS 11 -4.322 -3.236 -7.204
89 HZ1 LYS 11 3HZ LYS 11 -3.778 -5.527 -7.606
90 HZ2 LYS 11 1HZ LYS 11 -2.181 -5.125 -8.019
91 HZ3 LYS 11 2HZ LYS 11 -3.465 -4.628 -9.013
92 H LYS 12 H LYS 12 0.720 -3.182 -7.955
93 HA LYS 12 HA LYS 12 -0.903 -5.289 -6.844
94 HB2 LYS 12 2HB LYS 12 -0.326 -5.209 -9.231
95 HB3 LYS 12 1HB LYS 12 1.376 -5.446 -8.831
96 HG2 LYS 12 2HG LYS 12 0.839 -7.624 -7.794
97 HG3 LYS 12 1HG LYS 12 -0.867 -7.389 -8.188
98 HD2 LYS 12 2HD LYS 12 -0.495 -7.602 -10.500
99 HD3 LYS 12 1HD LYS 12 1.221 -7.238 -10.352
100 HE2 LYS 12 2HE LYS 12 0.444 -9.642 -8.843
101 HE3 LYS 12 1HE LYS 12 0.149 -9.785 -10.579
102 HZ1 LYS 12 3HZ LYS 12 2.332 -9.629 -11.064
103 HZ2 LYS 12 1HZ LYS 12 2.514 -10.240 -9.492
104 HZ3 LYS 12 2HZ LYS 12 2.672 -8.571 -9.779
105 H ASP 13 H ASP 13 2.606 -4.696 -6.822
106 HA ASP 13 HA ASP 13 3.423 -7.047 -5.536
107 HB2 ASP 13 2HB ASP 13 4.834 -5.111 -6.443
108 HB3 ASP 13 1HB ASP 13 4.604 -4.364 -4.867
109 H CYS 14 H CYS 14 1.321 -4.701 -4.260
110 HA CYS 14 HA CYS 14 2.109 -5.299 -1.456
111 HB2 CYS 14 2HB CYS 14 1.538 -2.997 -1.778
112 HB3 CYS 14 1HB CYS 14 0.064 -3.411 -2.652
113 H CYS 15 H CYS 15 0.624 -6.342 -0.023
114 HA CYS 15 HA CYS 15 -0.779 -8.532 -1.167
115 HB2 CYS 15 2HB CYS 15 -0.173 -7.556 1.457
116 HB3 CYS 15 1HB CYS 15 -1.867 -8.035 1.406
117 H CYS 16 H CYS 16 -2.773 -8.823 -1.851
118 HA CYS 16 HA CYS 16 -4.510 -6.813 -2.708
119 HB2 CYS 16 2HB CYS 16 -5.963 -9.203 -1.845
120 HB3 CYS 16 1HB CYS 16 -5.678 -8.600 -3.472
121 H GLY 17 H GLY 17 -4.204 -5.485 -0.563
122 HA2 GLY 17 2HA GLY 17 -6.721 -5.260 0.741
123 HA3 GLY 17 1HA GLY 17 -5.639 -6.159 1.801
124 H TYR 18 H TYR 18 -3.241 -4.809 0.697
125 HA TYR 18 HA TYR 18 -3.620 -2.208 2.212
126 HB2 TYR 18 2HB TYR 18 -1.169 -3.907 1.714
127 HB3 TYR 18 1HB TYR 18 -1.127 -2.325 2.479
128 HD1 TYR 18 2HD TYR 18 -2.267 -5.788 2.745
129 HD2 TYR 18 1HD TYR 18 -1.990 -1.992 4.708
130 HE1 TYR 18 2HE TYR 18 -2.919 -6.861 4.896
131 HE2 TYR 18 1HE TYR 18 -2.638 -3.050 6.860
132 HH TYR 18 HH TYR 18 -2.690 -6.435 7.298
133 H ASN 19 H ASN 19 -2.609 -0.308 1.370
134 HA ASN 19 HA ASN 19 -2.371 -0.320 -1.600
135 HB2 ASN 19 2HB ASN 19 -3.718 1.486 -1.374
136 HB3 ASN 19 1HB ASN 19 -3.509 1.471 0.373
137 HD21 ASN 19 1HD2 ASN 19 -2.154 2.775 -2.640
138 HD22 ASN 19 2HD2 ASN 19 -1.240 3.992 -1.894
139 H CYS 20 H CYS 20 -0.404 0.159 -2.555
140 HA CYS 20 HA CYS 20 1.933 0.346 -0.803
141 HB2 CYS 20 2HB CYS 20 1.946 -0.969 -2.911
142 HB3 CYS 20 1HB CYS 20 1.780 0.527 -3.824
143 H VAL 21 H VAL 21 2.717 2.182 -0.042
144 HA VAL 21 HA VAL 21 2.313 4.712 -1.595
145 HB VAL 21 HB VAL 21 2.102 4.188 1.379
146 HG11 VAL 21 1HG1 VAL 21 3.384 6.172 1.304
147 HG12 VAL 21 2HG1 VAL 21 1.722 6.746 1.434
148 HG13 VAL 21 3HG1 VAL 21 2.543 6.766 -0.127
149 HG21 VAL 21 3HG2 VAL 21 -0.131 4.697 1.147
150 HG22 VAL 21 1HG2 VAL 21 0.162 4.078 -0.480
151 HG23 VAL 21 2HG2 VAL 21 0.150 5.818 -0.187
152 H TYR 22 H TYR 22 4.180 5.855 -1.996
153 HA TYR 22 HA TYR 22 6.711 4.679 -1.091
154 HB2 TYR 22 2HB TYR 22 6.416 6.024 -3.213
155 HB3 TYR 22 1HB TYR 22 6.288 7.466 -2.202
156 HD1 TYR 22 2HD TYR 22 8.494 4.520 -2.869
157 HD2 TYR 22 1HD TYR 22 8.234 8.565 -1.445
158 HE1 TYR 22 2HE TYR 22 10.963 4.609 -2.674
159 HE2 TYR 22 1HE TYR 22 10.706 8.651 -1.246
160 HH TYR 22 HH TYR 22 12.741 6.510 -2.705
161 H ALA 23 H ALA 23 7.837 5.147 0.781
162 HA ALA 23 HA ALA 23 6.586 7.014 2.681
163 HB1 ALA 23 1HB ALA 23 9.149 5.829 3.496
164 HB2 ALA 23 2HB ALA 23 7.974 4.610 2.947
165 HB3 ALA 23 3HB ALA 23 7.553 5.719 4.274
166 H TRP 24 H TRP 24 7.041 8.945 1.430
167 HA TRP 24 HA TRP 24 9.559 9.824 0.555
168 HB2 TRP 24 2HB TRP 24 8.130 12.086 1.598
169 HB3 TRP 24 1HB TRP 24 8.295 11.575 -0.082
170 HD1 TRP 24 HD TRP 24 6.210 10.518 3.001
171 HE1 TRP 24 1HE TRP 24 3.839 9.916 2.202
172 HE3 TRP 24 3HE TRP 24 6.779 11.224 -2.021
173 HZ2 TRP 24 2HZ TRP 24 2.371 9.760 -0.250
174 HZ3 TRP 24 3HZ TRP 24 4.879 10.843 -3.566
175 HH2 TRP 24 HH TRP 24 2.678 10.112 -2.687
176 H TYR 25 H TYR 25 8.159 9.991 3.860
177 HA TYR 25 HA TYR 25 10.340 11.720 4.810
178 HB2 TYR 25 2HB TYR 25 9.498 11.203 7.065
179 HB3 TYR 25 1HB TYR 25 8.185 11.634 5.973
180 HD1 TYR 25 2HD TYR 25 6.668 9.899 5.081
181 HD2 TYR 25 1HD TYR 25 9.689 8.972 7.990
182 HE1 TYR 25 2HE TYR 25 5.520 7.766 5.592
183 HE2 TYR 25 1HE TYR 25 8.532 6.839 8.509
184 HH TYR 25 HH TYR 25 6.836 5.264 6.991
185 H ASN 26 H ASN 26 10.035 8.244 4.437
186 HA ASN 26 HA ASN 26 12.827 8.010 5.487
187 HB2 ASN 26 2HB ASN 26 12.169 5.750 6.398
188 HB3 ASN 26 1HB ASN 26 11.431 7.112 7.243
189 HD21 ASN 26 1HD2 ASN 26 9.339 7.781 5.456
190 HD22 ASN 26 2HD2 ASN 26 8.255 6.483 5.361
191 H GLN 27 H GLN 27 11.157 7.996 2.826
192 HA GLN 27 HA GLN 27 11.456 7.047 0.716
193 HB2 GLN 27 2HB GLN 27 13.855 5.746 2.037
194 HB3 GLN 27 1HB GLN 27 13.572 5.875 0.304
195 HG2 GLN 27 2HG GLN 27 13.694 8.279 2.140
196 HG3 GLN 27 1HG GLN 27 15.094 7.668 1.258
197 HE21 GLN 27 1HE2 GLN 27 12.431 9.784 1.018
198 HE22 GLN 27 2HE2 GLN 27 12.447 10.000 -0.666
199 H GLN 28 H GLN 28 12.302 4.485 -0.048
200 HA GLN 28 HA GLN 28 11.465 2.318 -0.299
201 HB2 GLN 28 2HB GLN 28 10.859 2.580 2.665
202 HB3 GLN 28 1HB GLN 28 10.862 1.079 1.746
203 HG2 GLN 28 2HG GLN 28 13.354 2.413 1.248
204 HG3 GLN 28 1HG GLN 28 13.090 2.385 2.990
205 HE21 GLN 28 1HE2 GLN 28 13.226 0.346 4.071
206 HE22 GLN 28 2HE2 GLN 28 13.606 -1.102 3.271
207 H SER 29 H SER 29 9.261 0.999 0.489
208 HA SER 29 HA SER 29 6.986 2.919 0.185
209 HB2 SER 29 2HB SER 29 7.061 0.256 -1.234
210 HB3 SER 29 1HB SER 29 6.004 1.628 -1.545
211 HG SER 29 HG SER 29 7.723 1.436 -3.070
212 H SER 30 H SER 30 5.576 2.575 1.847
213 HA SER 30 HA SER 30 5.514 -0.096 3.088
214 HB2 SER 30 2HB SER 30 4.558 1.251 5.078
215 HB3 SER 30 1HB SER 30 6.283 1.375 4.748
216 HG SER 30 HG SER 30 4.719 3.127 3.325
217 H CYS 31 H CYS 31 3.702 -1.180 2.454
218 HA CYS 31 HA CYS 31 1.421 0.176 1.386
219 HB2 CYS 31 2HB CYS 31 2.262 -2.369 1.216
220 HB3 CYS 31 1HB CYS 31 1.047 -2.565 2.472
221 H GLU 32 H GLU 32 -0.632 0.563 2.305
222 HA GLU 32 HA GLU 32 -0.945 0.080 5.215
223 HB2 GLU 32 2HB GLU 32 -1.188 2.299 5.808
224 HB3 GLU 32 1HB GLU 32 0.028 2.446 4.540
225 HG2 GLU 32 2HG GLU 32 -1.627 3.072 2.914
226 HG3 GLU 32 1HG GLU 32 -2.928 2.659 4.022
227 H ARG 33 H ARG 33 -3.176 0.084 5.902
228 HA ARG 33 HA ARG 33 -5.013 -1.053 4.119
229 HB2 ARG 33 2HB ARG 33 -6.557 -0.935 5.835
230 HB3 ARG 33 1HB ARG 33 -5.078 -0.667 6.749
231 HG2 ARG 33 2HG ARG 33 -6.216 1.162 7.529
232 HG3 ARG 33 1HG ARG 33 -5.656 1.900 6.036
233 HD2 ARG 33 2HD ARG 33 -8.022 2.298 6.146
234 HD3 ARG 33 1HD ARG 33 -7.794 1.030 4.949
235 HE ARG 33 HE ARG 33 -8.278 0.080 7.640
236 HH11 ARG 33 1HH2 ARG 33 -9.607 1.106 4.646
237 HH12 ARG 33 2HH2 ARG 33 -11.119 0.293 4.870
238 HH21 ARG 33 2HH1 ARG 33 -10.259 -1.033 7.952
239 HH22 ARG 33 1HH1 ARG 33 -11.488 -0.912 6.738
240 H LYS 34 H LYS 34 -6.880 -0.156 2.988
241 HA LYS 34 HA LYS 34 -7.340 2.643 2.796
242 HB2 LYS 34 2HB LYS 34 -5.076 1.861 1.458
243 HB3 LYS 34 1HB LYS 34 -6.273 1.762 0.184
244 HG2 LYS 34 2HG LYS 34 -6.626 4.233 1.675
245 HG3 LYS 34 1HG LYS 34 -4.952 4.085 1.154
246 HD2 LYS 34 2HD LYS 34 -6.333 3.308 -1.121
247 HD3 LYS 34 1HD LYS 34 -7.383 4.552 -0.452
248 HE2 LYS 34 2HE LYS 34 -5.547 6.148 -0.416
249 HE3 LYS 34 1HE LYS 34 -4.407 4.900 -0.922
250 HZ1 LYS 34 3HZ LYS 34 -6.194 4.689 -2.853
251 HZ2 LYS 34 1HZ LYS 34 -4.880 5.757 -2.942
252 HZ3 LYS 34 2HZ LYS 34 -6.411 6.332 -2.478
253 H TRP 35 H TRP 35 -9.322 1.087 3.197
254 HA TRP 35 HA TRP 35 -10.532 0.458 0.541
255 HB2 TRP 35 2HB TRP 35 -10.832 -1.000 3.170
256 HB3 TRP 35 1HB TRP 35 -11.853 -1.303 1.762
257 HD1 TRP 35 HD TRP 35 -8.295 -1.761 3.052
258 HE1 TRP 35 1HE TRP 35 -7.017 -3.333 1.459
259 HE3 TRP 35 3HE TRP 35 -11.734 -2.209 -0.701
260 HZ2 TRP 35 2HZ TRP 35 -7.406 -4.613 -1.085
261 HZ3 TRP 35 3HZ TRP 35 -11.257 -3.613 -2.682
262 HH2 TRP 35 HH TRP 35 -9.100 -4.817 -2.876
263 H LYS 36 H LYS 36 -10.991 1.790 3.703
264 HA LYS 36 HA LYS 36 -12.692 3.130 4.603
265 HB2 LYS 36 2HB LYS 36 -12.907 3.794 1.663
266 HB3 LYS 36 1HB LYS 36 -13.807 4.650 2.914
267 HG2 LYS 36 2HG LYS 36 -11.703 5.267 4.026
268 HG3 LYS 36 1HG LYS 36 -10.790 4.391 2.796
269 HD2 LYS 36 2HD LYS 36 -11.737 5.875 1.052
270 HD3 LYS 36 1HD LYS 36 -12.603 6.771 2.301
271 HE2 LYS 36 2HE LYS 36 -9.590 6.458 2.136
272 HE3 LYS 36 1HE LYS 36 -10.494 7.907 1.694
273 HZ1 LYS 36 3HZ LYS 36 -10.369 8.518 3.804
274 HZ2 LYS 36 1HZ LYS 36 -9.656 7.049 4.254
275 HZ3 LYS 36 2HZ LYS 36 -11.349 7.196 4.225
276 H TYR 37 H TYR 37 -13.432 0.577 2.482
277 HA TYR 37 HA TYR 37 -16.391 0.895 3.081
278 HB2 TYR 37 2HB TYR 37 -14.917 -0.704 0.975
279 HB3 TYR 37 1HB TYR 37 -16.633 -0.923 1.320
280 HD1 TYR 37 1HD TYR 37 -18.137 1.175 1.260
281 HD2 TYR 37 2HD TYR 37 -14.213 1.026 -0.483
282 HE1 TYR 37 1HE TYR 37 -18.691 3.138 -0.151
283 HE2 TYR 37 2HE TYR 37 -14.766 2.993 -1.892
284 HH TYR 37 HH TYR 37 -17.994 4.511 -1.742
285 H LEU 38 H LEU 38 -13.989 -0.236 4.706
286 HA LEU 38 HA LEU 38 -13.900 -1.819 6.433
287 HB2 LEU 38 2HB LEU 38 -16.515 -1.563 6.221
288 HB3 LEU 38 1HB LEU 38 -16.417 -3.129 5.428
289 HG LEU 38 HG LEU 38 -14.823 -3.110 7.878
290 HD11 LEU 38 1HD1 LEU 38 -16.557 -1.415 8.530
291 HD12 LEU 38 2HD1 LEU 38 -16.615 -2.890 9.493
292 HD13 LEU 38 3HD1 LEU 38 -17.797 -2.629 8.211
293 HD21 LEU 38 3HD2 LEU 38 -17.185 -4.701 6.837
294 HD22 LEU 38 1HD2 LEU 38 -16.364 -5.068 8.355
295 HD23 LEU 38 2HD2 LEU 38 -15.486 -5.173 6.829
296 H PHE 39 H PHE 39 -15.129 -3.134 3.349
297 HA PHE 39 HA PHE 39 -14.612 -5.581 2.889
298 HB2 PHE 39 2HB PHE 39 -14.126 -3.570 1.251
299 HB3 PHE 39 1HB PHE 39 -12.449 -3.988 1.566
300 HD1 PHE 39 2HD PHE 39 -15.694 -5.760 0.861
301 HD2 PHE 39 1HD PHE 39 -11.470 -5.515 0.108
302 HE1 PHE 39 2HE PHE 39 -15.869 -7.647 -0.738
303 HE2 PHE 39 1HE PHE 39 -11.648 -7.398 -1.492
304 HZ PHE 39 HZ PHE 39 -13.846 -8.464 -1.917
305 H THR 40 H THR 40 -11.396 -4.356 2.619
306 HA THR 40 HA THR 40 -9.374 -5.391 3.312
307 HB THR 40 HB THR 40 -9.030 -5.084 5.697
308 HG1 THR 40 1HG THR 40 -10.693 -5.851 6.769
309 HG21 THR 40 3HG2 THR 40 -9.119 -2.844 5.414
310 HG22 THR 40 1HG2 THR 40 -10.878 -2.869 5.533
311 HG23 THR 40 2HG2 THR 40 -10.101 -3.106 3.971
312 H GLY 41 H GLY 41 -9.115 -6.958 5.807
313 HA2 GLY 41 2HA GLY 41 -9.656 -9.124 6.682
314 HA3 GLY 41 1HA GLY 41 -10.720 -9.395 5.303
315 H GLU 42 H GLU 42 -7.254 -8.970 6.064
316 HA GLU 42 HA GLU 42 -5.357 -9.743 4.911
317 HB2 GLU 42 2HB GLU 42 -5.674 -12.379 4.492
318 HB3 GLU 42 1HB GLU 42 -5.413 -11.708 6.096
319 HG2 GLU 42 2HG GLU 42 -8.178 -12.150 4.962
320 HG3 GLU 42 1HG GLU 42 -7.327 -13.373 5.886
321 H CYS 43 H CYS 43 -4.515 -9.975 2.833
322 HA CYS 43 HA CYS 43 -6.290 -9.504 0.645
323 HB2 CYS 43 2HB CYS 43 -4.259 -8.932 -0.164
324 HB3 CYS 43 1HB CYS 43 -3.412 -9.905 0.997
325 HXT CYS 43 2HT CYS 43 -7.745 -11.069 0.354
Start of MODEL 16
1 H1 CYS 1 1H CYS 1 5.642 -9.171 -1.316
2 H2 CYS 1 2H CYS 1 4.430 -10.237 -0.848
3 H3 CYS 1 3H CYS 1 4.602 -9.818 -2.467
4 HA CYS 1 HA CYS 1 4.005 -7.541 -1.981
5 HB2 CYS 1 2HB CYS 1 1.670 -7.929 -1.659
6 HB3 CYS 1 1HB CYS 1 2.267 -9.355 -2.491
7 H GLY 2 H GLY 2 3.928 -5.906 -0.428
8 HA2 GLY 2 2HA GLY 2 4.754 -6.605 2.275
9 HA3 GLY 2 1HA GLY 2 4.386 -4.979 1.700
10 H SER 3 H SER 3 3.531 -6.309 4.214
11 HA SER 3 HA SER 3 0.564 -6.372 3.813
12 HB2 SER 3 2HB SER 3 2.040 -7.338 6.266
13 HB3 SER 3 1HB SER 3 0.405 -7.740 5.747
14 HG SER 3 HG SER 3 1.761 -9.431 5.205
15 H LYS 4 H LYS 4 -0.158 -5.908 6.490
16 HA LYS 4 HA LYS 4 -0.206 -3.071 6.629
17 HB2 LYS 4 2HB LYS 4 -1.917 -4.089 7.858
18 HB3 LYS 4 1HB LYS 4 -0.850 -5.316 8.520
19 HG2 LYS 4 2HG LYS 4 0.082 -3.771 10.098
20 HG3 LYS 4 1HG LYS 4 -0.691 -2.394 9.312
21 HD2 LYS 4 2HD LYS 4 -2.872 -3.140 10.090
22 HD3 LYS 4 1HD LYS 4 -2.232 -4.692 10.547
23 HE2 LYS 4 2HE LYS 4 -2.459 -2.246 12.047
24 HE3 LYS 4 1HE LYS 4 -1.886 -3.818 12.601
25 HZ1 LYS 4 3HZ LYS 4 0.295 -3.290 12.119
26 HZ2 LYS 4 1HZ LYS 4 -0.307 -1.817 12.705
27 HZ3 LYS 4 2HZ LYS 4 -0.122 -2.051 11.034
28 H ARG 5 H ARG 5 2.371 -3.361 6.172
29 HA ARG 5 HA ARG 5 3.937 -1.794 7.514
30 HB2 ARG 5 2HB ARG 5 4.870 -2.778 9.567
31 HB3 ARG 5 1HB ARG 5 3.141 -2.536 9.730
32 HG2 ARG 5 2HG ARG 5 2.854 -4.994 9.078
33 HG3 ARG 5 1HG ARG 5 4.598 -5.142 9.209
34 HD2 ARG 5 2HD ARG 5 4.532 -4.421 11.538
35 HD3 ARG 5 1HD ARG 5 2.788 -4.182 11.437
36 HE ARG 5 HE ARG 5 4.181 -6.789 11.540
37 HH11 ARG 5 1HH2 ARG 5 1.299 -4.943 11.068
38 HH12 ARG 5 2HH2 ARG 5 0.240 -6.289 11.328
39 HH21 ARG 5 2HH1 ARG 5 2.806 -8.554 11.865
40 HH22 ARG 5 1HH1 ARG 5 1.092 -8.327 11.775
41 H ALA 6 H ALA 6 4.740 -2.456 5.377
42 HA ALA 6 HA ALA 6 7.200 -3.936 5.624
43 HB1 ALA 6 1HB ALA 6 5.079 -5.347 4.004
44 HB2 ALA 6 2HB ALA 6 5.482 -5.806 5.653
45 HB3 ALA 6 3HB ALA 6 6.699 -5.928 4.383
46 H TRP 7 H TRP 7 8.495 -3.711 3.814
47 HA TRP 7 HA TRP 7 8.223 -1.508 2.161
48 HB2 TRP 7 2HB TRP 7 10.351 -2.541 2.346
49 HB3 TRP 7 1HB TRP 7 9.737 -4.083 1.753
50 HD1 TRP 7 HD TRP 7 10.024 -0.441 0.445
51 HE1 TRP 7 1HE TRP 7 10.589 -0.551 -2.072
52 HE3 TRP 7 3HE TRP 7 10.018 -5.496 -0.234
53 HZ2 TRP 7 2HZ TRP 7 10.987 -2.532 -4.101
54 HZ3 TRP 7 3HZ TRP 7 10.494 -6.471 -2.459
55 HH2 TRP 7 HH TRP 7 10.979 -4.999 -4.393
56 H CYS 8 H CYS 8 7.686 -1.158 0.020
57 HA CYS 8 HA CYS 8 5.771 -3.140 -1.206
58 HB2 CYS 8 2HB CYS 8 5.543 -0.275 -0.556
59 HB3 CYS 8 1HB CYS 8 5.137 -0.627 -2.229
60 H LYS 9 H LYS 9 5.811 -3.207 -3.571
61 HA LYS 9 HA LYS 9 8.319 -2.089 -4.766
62 HB2 LYS 9 2HB LYS 9 8.313 -4.521 -4.842
63 HB3 LYS 9 1HB LYS 9 6.700 -4.533 -5.545
64 HG2 LYS 9 2HG LYS 9 8.389 -4.896 -7.287
65 HG3 LYS 9 1HG LYS 9 7.572 -3.358 -7.547
66 HD2 LYS 9 2HD LYS 9 9.425 -2.117 -6.695
67 HD3 LYS 9 1HD LYS 9 10.174 -3.564 -6.021
68 HE2 LYS 9 2HE LYS 9 9.674 -3.239 -8.983
69 HE3 LYS 9 1HE LYS 9 11.166 -2.696 -8.216
70 HZ1 LYS 9 3HZ LYS 9 10.404 -5.355 -7.458
71 HZ2 LYS 9 1HZ LYS 9 11.896 -4.774 -8.014
72 HZ3 LYS 9 2HZ LYS 9 10.686 -5.202 -9.126
73 H GLU 10 H GLU 10 4.841 -2.354 -5.056
74 HA GLU 10 HA GLU 10 4.687 -0.012 -6.731
75 HB2 GLU 10 2HB GLU 10 5.296 -1.919 -8.366
76 HB3 GLU 10 1HB GLU 10 3.662 -2.491 -8.112
77 HG2 GLU 10 2HG GLU 10 3.465 0.306 -8.577
78 HG3 GLU 10 1HG GLU 10 4.599 -0.306 -9.777
79 H LYS 11 H LYS 11 2.247 -0.166 -7.754
80 HA LYS 11 HA LYS 11 0.571 0.040 -5.426
81 HB2 LYS 11 2HB LYS 11 0.181 1.336 -7.480
82 HB3 LYS 11 1HB LYS 11 -0.323 -0.135 -8.314
83 HG2 LYS 11 2HG LYS 11 -2.147 -0.463 -6.727
84 HG3 LYS 11 1HG LYS 11 -1.619 0.932 -5.787
85 HD2 LYS 11 2HD LYS 11 -2.356 1.153 -8.713
86 HD3 LYS 11 1HD LYS 11 -3.559 1.314 -7.435
87 HE2 LYS 11 2HE LYS 11 -1.328 2.960 -6.719
88 HE3 LYS 11 1HE LYS 11 -1.732 3.301 -8.401
89 HZ1 LYS 11 3HZ LYS 11 -3.748 3.201 -6.230
90 HZ2 LYS 11 1HZ LYS 11 -3.965 3.763 -7.814
91 HZ3 LYS 11 2HZ LYS 11 -2.985 4.633 -6.732
92 H LYS 12 H LYS 12 0.534 -2.444 -8.082
93 HA LYS 12 HA LYS 12 -1.461 -4.005 -6.580
94 HB2 LYS 12 2HB LYS 12 -1.483 -3.936 -9.080
95 HB3 LYS 12 1HB LYS 12 0.063 -4.787 -9.086
96 HG2 LYS 12 2HG LYS 12 -0.934 -6.692 -7.930
97 HG3 LYS 12 1HG LYS 12 -2.470 -5.838 -7.784
98 HD2 LYS 12 2HD LYS 12 -2.647 -5.771 -10.257
99 HD3 LYS 12 1HD LYS 12 -1.129 -6.663 -10.377
100 HE2 LYS 12 2HE LYS 12 -2.111 -8.553 -9.160
101 HE3 LYS 12 1HE LYS 12 -3.618 -7.661 -8.959
102 HZ1 LYS 12 3HZ LYS 12 -3.566 -9.283 -10.845
103 HZ2 LYS 12 1HZ LYS 12 -2.447 -8.263 -11.613
104 HZ3 LYS 12 2HZ LYS 12 -4.011 -7.698 -11.264
105 H ASP 13 H ASP 13 1.883 -3.661 -6.554
106 HA ASP 13 HA ASP 13 2.649 -6.365 -5.958
107 HB2 ASP 13 2HB ASP 13 3.864 -3.645 -5.733
108 HB3 ASP 13 1HB ASP 13 4.643 -4.994 -4.936
109 H CYS 14 H CYS 14 0.761 -4.203 -4.225
110 HA CYS 14 HA CYS 14 1.833 -4.901 -1.566
111 HB2 CYS 14 2HB CYS 14 0.685 -2.677 -2.068
112 HB3 CYS 14 1HB CYS 14 -0.815 -3.570 -2.183
113 H CYS 15 H CYS 15 0.708 -6.252 -0.065
114 HA CYS 15 HA CYS 15 -0.472 -8.569 -1.117
115 HB2 CYS 15 2HB CYS 15 -0.813 -7.354 1.633
116 HB3 CYS 15 1HB CYS 15 -1.079 -9.030 1.197
117 H CYS 16 H CYS 16 -2.648 -9.224 -1.266
118 HA CYS 16 HA CYS 16 -4.546 -7.357 -2.156
119 HB2 CYS 16 2HB CYS 16 -4.466 -10.174 -1.527
120 HB3 CYS 16 1HB CYS 16 -5.977 -9.494 -0.945
121 H GLY 17 H GLY 17 -5.953 -5.988 -1.122
122 HA2 GLY 17 2HA GLY 17 -7.360 -5.269 0.697
123 HA3 GLY 17 1HA GLY 17 -6.491 -6.362 1.774
124 H TYR 18 H TYR 18 -4.146 -4.922 -0.053
125 HA TYR 18 HA TYR 18 -3.956 -2.530 1.806
126 HB2 TYR 18 2HB TYR 18 -1.822 -4.582 1.213
127 HB3 TYR 18 1HB TYR 18 -1.483 -3.010 1.936
128 HD1 TYR 18 1HD TYR 18 -2.655 -2.394 4.085
129 HD2 TYR 18 2HD TYR 18 -2.573 -6.378 2.517
130 HE1 TYR 18 1HE TYR 18 -3.191 -3.286 6.335
131 HE2 TYR 18 2HE TYR 18 -3.095 -7.280 4.768
132 HH TYR 18 HH TYR 18 -3.043 -6.696 7.041
133 H ASN 19 H ASN 19 -2.801 -0.762 0.945
134 HA ASN 19 HA ASN 19 -2.374 -0.858 -2.017
135 HB2 ASN 19 2HB ASN 19 -4.073 0.771 -1.294
136 HB3 ASN 19 1HB ASN 19 -2.914 1.498 -0.178
137 HD21 ASN 19 1HD2 ASN 19 -2.092 3.397 -1.043
138 HD22 ASN 19 2HD2 ASN 19 -1.725 3.650 -2.681
139 H CYS 20 H CYS 20 -0.357 -0.024 -2.832
140 HA CYS 20 HA CYS 20 1.799 0.028 -0.829
141 HB2 CYS 20 2HB CYS 20 1.574 -0.288 -3.768
142 HB3 CYS 20 1HB CYS 20 3.077 0.322 -3.149
143 H VAL 21 H VAL 21 2.945 1.880 -0.316
144 HA VAL 21 HA VAL 21 2.300 4.368 -1.843
145 HB VAL 21 HB VAL 21 2.160 3.941 1.144
146 HG11 VAL 21 1HG1 VAL 21 3.340 5.971 1.045
147 HG12 VAL 21 2HG1 VAL 21 1.660 6.508 1.062
148 HG13 VAL 21 3HG1 VAL 21 2.558 6.462 -0.456
149 HG21 VAL 21 3HG2 VAL 21 0.178 3.601 -0.522
150 HG22 VAL 21 1HG2 VAL 21 0.181 5.360 -0.631
151 HG23 VAL 21 2HG2 VAL 21 -0.090 4.574 0.922
152 H TYR 22 H TYR 22 3.979 5.732 -2.205
153 HA TYR 22 HA TYR 22 6.684 4.773 -1.657
154 HB2 TYR 22 2HB TYR 22 5.728 6.424 -3.474
155 HB3 TYR 22 1HB TYR 22 6.021 7.652 -2.249
156 HD1 TYR 22 2HD TYR 22 8.503 6.410 -0.986
157 HD2 TYR 22 1HD TYR 22 7.375 6.999 -5.082
158 HE1 TYR 22 2HE TYR 22 10.891 6.509 -1.623
159 HE2 TYR 22 1HE TYR 22 9.767 7.093 -5.727
160 HH TYR 22 HH TYR 22 12.036 6.056 -4.532
161 H ALA 23 H ALA 23 7.243 4.610 0.483
162 HA ALA 23 HA ALA 23 6.568 6.768 2.404
163 HB1 ALA 23 1HB ALA 23 7.364 3.906 2.571
164 HB2 ALA 23 2HB ALA 23 6.212 4.808 3.553
165 HB3 ALA 23 3HB ALA 23 7.938 4.947 3.871
166 H TRP 24 H TRP 24 8.773 6.492 4.070
167 HA TRP 24 HA TRP 24 10.594 8.100 4.113
168 HB2 TRP 24 2HB TRP 24 11.096 5.314 3.750
169 HB3 TRP 24 1HB TRP 24 12.357 6.188 2.895
170 HD1 TRP 24 HD TRP 24 11.560 8.466 5.533
171 HE1 TRP 24 1HE TRP 24 13.060 8.137 7.594
172 HE3 TRP 24 3HE TRP 24 13.445 3.829 4.520
173 HZ2 TRP 24 2HZ TRP 24 14.824 6.158 8.689
174 HZ3 TRP 24 3HZ TRP 24 15.026 2.745 6.087
175 HH2 TRP 24 HH TRP 24 15.717 3.900 8.170
176 H TYR 25 H TYR 25 10.297 9.794 2.757
177 HA TYR 25 HA TYR 25 10.276 9.802 -0.065
178 HB2 TYR 25 2HB TYR 25 10.737 12.117 0.071
179 HB3 TYR 25 1HB TYR 25 9.941 11.730 1.593
180 HD1 TYR 25 2HD TYR 25 12.047 10.503 3.231
181 HD2 TYR 25 1HD TYR 25 12.304 13.795 0.474
182 HE1 TYR 25 2HE TYR 25 13.995 11.387 4.466
183 HE2 TYR 25 1HE TYR 25 14.262 14.671 1.714
184 HH TYR 25 HH TYR 25 16.039 13.762 3.232
185 H ASN 26 H ASN 26 12.723 8.470 1.629
186 HA ASN 26 HA ASN 26 14.983 9.516 0.098
187 HB2 ASN 26 2HB ASN 26 14.992 6.930 1.646
188 HB3 ASN 26 1HB ASN 26 16.296 8.091 1.418
189 HD21 ASN 26 1HD2 ASN 26 12.930 8.227 2.716
190 HD22 ASN 26 2HD2 ASN 26 13.350 9.112 4.101
191 H GLN 27 H GLN 27 13.366 6.328 0.326
192 HA GLN 27 HA GLN 27 13.020 5.868 -2.390
193 HB2 GLN 27 2HB GLN 27 15.081 5.528 -3.259
194 HB3 GLN 27 1HB GLN 27 15.803 5.838 -1.690
195 HG2 GLN 27 2HG GLN 27 14.762 3.123 -2.546
196 HG3 GLN 27 1HG GLN 27 16.437 3.636 -2.688
197 HE21 GLN 27 1HE2 GLN 27 14.733 4.934 0.051
198 HE22 GLN 27 2HE2 GLN 27 15.432 3.924 1.223
199 H GLN 28 H GLN 28 11.805 5.265 0.117
200 HA GLN 28 HA GLN 28 11.846 2.260 0.079
201 HB2 GLN 28 2HB GLN 28 12.694 3.447 2.181
202 HB3 GLN 28 1HB GLN 28 11.039 3.993 2.407
203 HG2 GLN 28 2HG GLN 28 11.215 2.013 3.703
204 HG3 GLN 28 1HG GLN 28 10.352 1.533 2.243
205 HE21 GLN 28 1HE2 GLN 28 11.088 -0.582 1.871
206 HE22 GLN 28 2HE2 GLN 28 12.725 -1.015 1.753
207 H SER 29 H SER 29 9.790 1.232 0.499
208 HA SER 29 HA SER 29 7.379 2.944 0.097
209 HB2 SER 29 2HB SER 29 7.643 0.250 -1.198
210 HB3 SER 29 1HB SER 29 6.521 1.544 -1.568
211 HG SER 29 HG SER 29 8.630 2.735 -2.026
212 H SER 30 H SER 30 5.465 2.054 1.128
213 HA SER 30 HA SER 30 5.855 -0.400 2.669
214 HB2 SER 30 2HB SER 30 6.533 1.475 4.151
215 HB3 SER 30 1HB SER 30 4.937 2.186 3.932
216 HG SER 30 HG SER 30 4.051 0.321 4.869
217 H CYS 31 H CYS 31 4.004 -1.611 2.849
218 HA CYS 31 HA CYS 31 1.702 -0.897 1.277
219 HB2 CYS 31 2HB CYS 31 2.469 -3.144 3.076
220 HB3 CYS 31 1HB CYS 31 0.745 -2.912 2.788
221 H GLU 32 H GLU 32 -0.340 -0.171 1.959
222 HA GLU 32 HA GLU 32 -0.785 0.349 4.830
223 HB2 GLU 32 2HB GLU 32 -0.561 2.611 4.754
224 HB3 GLU 32 1HB GLU 32 0.294 2.357 3.237
225 HG2 GLU 32 2HG GLU 32 -1.775 2.637 1.978
226 HG3 GLU 32 1HG GLU 32 -2.691 2.766 3.477
227 H ARG 33 H ARG 33 -2.967 0.258 5.352
228 HA ARG 33 HA ARG 33 -4.810 -0.936 3.549
229 HB2 ARG 33 2HB ARG 33 -6.462 -0.596 5.247
230 HB3 ARG 33 1HB ARG 33 -4.939 -0.870 6.088
231 HG2 ARG 33 2HG ARG 33 -5.329 1.068 7.191
232 HG3 ARG 33 1HG ARG 33 -4.983 1.903 5.679
233 HD2 ARG 33 2HD ARG 33 -7.138 2.672 6.391
234 HD3 ARG 33 1HD ARG 33 -7.429 1.542 5.070
235 HE ARG 33 HE ARG 33 -8.332 -0.020 6.642
236 HH11 ARG 33 1HH2 ARG 33 -6.967 2.801 8.098
237 HH12 ARG 33 2HH2 ARG 33 -7.621 2.467 9.667
238 HH21 ARG 33 2HH1 ARG 33 -9.180 -0.471 8.692
239 HH22 ARG 33 1HH1 ARG 33 -8.869 0.617 10.020
240 H LYS 34 H LYS 34 -7.080 0.283 3.076
241 HA LYS 34 HA LYS 34 -7.146 3.064 2.725
242 HB2 LYS 34 2HB LYS 34 -5.765 1.549 0.570
243 HB3 LYS 34 1HB LYS 34 -6.939 2.748 0.035
244 HG2 LYS 34 2HG LYS 34 -5.489 4.110 1.999
245 HG3 LYS 34 1HG LYS 34 -4.268 3.135 1.192
246 HD2 LYS 34 2HD LYS 34 -4.274 5.055 -0.130
247 HD3 LYS 34 1HD LYS 34 -5.379 4.008 -1.015
248 HE2 LYS 34 2HE LYS 34 -7.091 5.455 -0.706
249 HE3 LYS 34 1HE LYS 34 -6.805 5.518 1.030
250 HZ1 LYS 34 3HZ LYS 34 -4.730 6.890 -0.235
251 HZ2 LYS 34 1HZ LYS 34 -5.941 7.518 0.774
252 HZ3 LYS 34 2HZ LYS 34 -6.189 7.445 -0.905
253 H TRP 35 H TRP 35 -9.318 2.888 3.172
254 HA TRP 35 HA TRP 35 -10.992 1.440 1.151
255 HB2 TRP 35 2HB TRP 35 -12.722 1.461 3.101
256 HB3 TRP 35 1HB TRP 35 -11.418 0.275 3.125
257 HD1 TRP 35 HD TRP 35 -9.373 0.718 4.769
258 HE1 TRP 35 1HE TRP 35 -9.192 2.114 6.932
259 HE3 TRP 35 3HE TRP 35 -13.585 3.562 4.340
260 HZ2 TRP 35 2HZ TRP 35 -10.644 4.165 8.297
261 HZ3 TRP 35 3HZ TRP 35 -14.164 5.230 6.080
262 HH2 TRP 35 HH TRP 35 -12.700 5.533 8.058
263 H LYS 36 H LYS 36 -13.234 2.426 0.978
264 HA LYS 36 HA LYS 36 -14.681 4.252 0.709
265 HB2 LYS 36 2HB LYS 36 -14.583 5.857 2.296
266 HB3 LYS 36 1HB LYS 36 -13.085 5.144 2.862
267 HG2 LYS 36 2HG LYS 36 -11.816 6.569 1.275
268 HG3 LYS 36 1HG LYS 36 -13.326 7.301 0.741
269 HD2 LYS 36 2HD LYS 36 -12.495 7.316 3.644
270 HD3 LYS 36 1HD LYS 36 -12.003 8.585 2.525
271 HE2 LYS 36 2HE LYS 36 -14.471 8.871 1.951
272 HE3 LYS 36 1HE LYS 36 -14.823 7.825 3.327
273 HZ1 LYS 36 3HZ LYS 36 -13.993 9.354 4.816
274 HZ2 LYS 36 1HZ LYS 36 -14.754 10.352 3.673
275 HZ3 LYS 36 2HZ LYS 36 -13.065 10.166 3.646
276 H TYR 37 H TYR 37 -11.539 3.850 -0.400
277 HA TYR 37 HA TYR 37 -11.441 6.203 -2.168
278 HB2 TYR 37 2HB TYR 37 -9.537 5.108 -3.197
279 HB3 TYR 37 1HB TYR 37 -9.429 4.869 -1.454
280 HD1 TYR 37 2HD TYR 37 -10.262 2.680 -0.467
281 HD2 TYR 37 1HD TYR 37 -9.678 3.250 -4.681
282 HE1 TYR 37 2HE TYR 37 -10.253 0.222 -0.794
283 HE2 TYR 37 1HE TYR 37 -9.664 0.793 -5.009
284 HH TYR 37 HH TYR 37 -9.910 -1.193 -4.048
285 H LEU 38 H LEU 38 -13.953 5.224 -2.483
286 HA LEU 38 HA LEU 38 -15.335 5.069 -4.433
287 HB2 LEU 38 2HB LEU 38 -12.927 3.672 -5.609
288 HB3 LEU 38 1HB LEU 38 -14.460 3.851 -6.441
289 HG LEU 38 HG LEU 38 -12.932 6.217 -5.344
290 HD11 LEU 38 1HD1 LEU 38 -11.393 5.418 -6.911
291 HD12 LEU 38 2HD1 LEU 38 -12.391 6.479 -7.903
292 HD13 LEU 38 3HD1 LEU 38 -12.647 4.734 -7.946
293 HD21 LEU 38 3HD2 LEU 38 -15.514 5.858 -6.556
294 HD22 LEU 38 1HD2 LEU 38 -14.504 6.760 -7.684
295 HD23 LEU 38 2HD2 LEU 38 -14.751 7.361 -6.047
296 H PHE 39 H PHE 39 -16.914 3.520 -4.580
297 HA PHE 39 HA PHE 39 -16.845 1.251 -2.866
298 HB2 PHE 39 2HB PHE 39 -18.701 2.392 -4.849
299 HB3 PHE 39 1HB PHE 39 -18.817 0.642 -4.726
300 HD1 PHE 39 2HD PHE 39 -18.452 -0.068 -2.008
301 HD2 PHE 39 1HD PHE 39 -20.338 3.459 -3.581
302 HE1 PHE 39 2HE PHE 39 -19.765 0.163 0.081
303 HE2 PHE 39 1HE PHE 39 -21.656 3.683 -1.493
304 HZ PHE 39 HZ PHE 39 -21.368 2.036 0.338
305 H THR 40 H THR 40 -14.507 1.048 -4.442
306 HA THR 40 HA THR 40 -14.937 -0.832 -6.621
307 HB THR 40 HB THR 40 -12.414 -1.181 -6.375
308 HG1 THR 40 1HG THR 40 -12.718 0.985 -4.577
309 HG21 THR 40 3HG2 THR 40 -13.651 0.574 -7.830
310 HG22 THR 40 1HG2 THR 40 -11.932 0.817 -7.521
311 HG23 THR 40 2HG2 THR 40 -13.131 1.732 -6.610
312 H GLY 41 H GLY 41 -13.916 -3.063 -6.538
313 HA2 GLY 41 2HA GLY 41 -15.118 -4.646 -4.528
314 HA3 GLY 41 1HA GLY 41 -13.802 -5.197 -5.567
315 H GLU 42 H GLU 42 -13.418 -6.298 -3.300
316 HA GLU 42 HA GLU 42 -11.397 -4.620 -1.885
317 HB2 GLU 42 2HB GLU 42 -12.184 -5.499 0.282
318 HB3 GLU 42 1HB GLU 42 -13.457 -4.589 -0.530
319 HG2 GLU 42 2HG GLU 42 -13.549 -7.378 -1.346
320 HG3 GLU 42 1HG GLU 42 -13.607 -7.254 0.410
321 H CYS 43 H CYS 43 -9.917 -6.031 -0.549
322 HA CYS 43 HA CYS 43 -9.800 -8.858 -1.434
323 HB2 CYS 43 2HB CYS 43 -8.321 -6.935 -2.763
324 HB3 CYS 43 1HB CYS 43 -7.177 -7.521 -1.563
325 HXT CYS 43 2HT CYS 43 -10.389 -7.784 0.888
Start of MODEL 17
1 H1 CYS 1 1H CYS 1 5.356 -9.771 -1.061
2 H2 CYS 1 2H CYS 1 4.241 -10.779 -0.309
3 H3 CYS 1 3H CYS 1 4.260 -10.651 -1.985
4 HA CYS 1 HA CYS 1 3.592 -8.335 -1.849
5 HB2 CYS 1 2HB CYS 1 1.309 -8.731 -1.174
6 HB3 CYS 1 1HB CYS 1 1.874 -10.210 -1.935
7 H GLY 2 H GLY 2 3.941 -6.491 -0.583
8 HA2 GLY 2 2HA GLY 2 4.608 -6.851 2.241
9 HA3 GLY 2 1HA GLY 2 4.493 -5.308 1.394
10 H SER 3 H SER 3 3.112 -6.976 3.838
11 HA SER 3 HA SER 3 0.322 -6.092 3.266
12 HB2 SER 3 2HB SER 3 1.357 -7.667 5.642
13 HB3 SER 3 1HB SER 3 -0.320 -7.473 5.144
14 HG SER 3 HG SER 3 1.562 -8.521 3.345
15 H LYS 4 H LYS 4 -0.753 -5.143 5.427
16 HA LYS 4 HA LYS 4 -0.032 -2.629 6.032
17 HB2 LYS 4 2HB LYS 4 -1.713 -3.188 7.488
18 HB3 LYS 4 1HB LYS 4 -1.111 -4.827 7.693
19 HG2 LYS 4 2HG LYS 4 0.807 -3.288 9.011
20 HG3 LYS 4 1HG LYS 4 -0.691 -2.445 9.374
21 HD2 LYS 4 2HD LYS 4 -1.606 -4.261 10.509
22 HD3 LYS 4 1HD LYS 4 -0.627 -5.438 9.640
23 HE2 LYS 4 2HE LYS 4 1.335 -4.047 10.922
24 HE3 LYS 4 1HE LYS 4 0.018 -3.891 12.085
25 HZ1 LYS 4 3HZ LYS 4 -0.278 -6.291 12.008
26 HZ2 LYS 4 1HZ LYS 4 1.299 -5.890 12.488
27 HZ3 LYS 4 2HZ LYS 4 1.005 -6.430 10.904
28 H ARG 5 H ARG 5 1.839 -1.580 6.656
29 HA ARG 5 HA ARG 5 4.042 -1.293 7.435
30 HB2 ARG 5 2HB ARG 5 3.113 -1.969 9.584
31 HB3 ARG 5 1HB ARG 5 3.205 -3.661 9.128
32 HG2 ARG 5 2HG ARG 5 5.738 -3.272 8.870
33 HG3 ARG 5 1HG ARG 5 5.463 -1.772 9.747
34 HD2 ARG 5 2HD ARG 5 6.111 -3.612 11.271
35 HD3 ARG 5 1HD ARG 5 4.486 -3.021 11.622
36 HE ARG 5 HE ARG 5 3.864 -5.055 9.992
37 HH11 ARG 5 1HH2 ARG 5 6.282 -4.863 12.442
38 HH12 ARG 5 2HH2 ARG 5 6.206 -6.551 12.814
39 HH21 ARG 5 2HH1 ARG 5 3.750 -7.232 10.469
40 HH22 ARG 5 1HH1 ARG 5 4.774 -7.894 11.700
41 H ALA 6 H ALA 6 4.762 -1.969 5.239
42 HA ALA 6 HA ALA 6 6.780 -3.953 5.274
43 HB1 ALA 6 1HB ALA 6 4.964 -5.602 5.410
44 HB2 ALA 6 2HB ALA 6 5.783 -5.717 3.857
45 HB3 ALA 6 3HB ALA 6 4.218 -4.916 3.969
46 H TRP 7 H TRP 7 8.112 -3.453 3.665
47 HA TRP 7 HA TRP 7 7.859 -1.398 1.831
48 HB2 TRP 7 2HB TRP 7 10.015 -2.217 2.003
49 HB3 TRP 7 1HB TRP 7 9.488 -3.897 1.985
50 HD1 TRP 7 HD TRP 7 9.262 -0.968 -0.544
51 HE1 TRP 7 1HE TRP 7 9.932 -1.889 -2.866
52 HE3 TRP 7 3HE TRP 7 10.262 -5.815 0.693
53 HZ2 TRP 7 2HZ TRP 7 10.807 -4.366 -4.027
54 HZ3 TRP 7 3HZ TRP 7 11.025 -7.430 -1.025
55 HH2 TRP 7 HH TRP 7 11.298 -6.712 -3.381
56 H CYS 8 H CYS 8 6.835 -1.080 -0.063
57 HA CYS 8 HA CYS 8 5.393 -3.420 -1.332
58 HB2 CYS 8 2HB CYS 8 3.810 -1.717 -2.190
59 HB3 CYS 8 1HB CYS 8 3.911 -1.614 -0.439
60 H LYS 9 H LYS 9 5.939 -3.797 -3.521
61 HA LYS 9 HA LYS 9 8.071 -2.096 -4.673
62 HB2 LYS 9 2HB LYS 9 7.956 -4.721 -4.690
63 HB3 LYS 9 1HB LYS 9 6.888 -4.493 -6.069
64 HG2 LYS 9 2HG LYS 9 9.337 -2.852 -6.224
65 HG3 LYS 9 1HG LYS 9 9.664 -4.580 -6.186
66 HD2 LYS 9 2HD LYS 9 8.476 -4.986 -8.165
67 HD3 LYS 9 1HD LYS 9 7.547 -3.501 -8.024
68 HE2 LYS 9 2HE LYS 9 9.803 -2.278 -8.316
69 HE3 LYS 9 1HE LYS 9 10.411 -3.834 -8.884
70 HZ1 LYS 9 3HZ LYS 9 9.626 -3.164 -10.850
71 HZ2 LYS 9 1HZ LYS 9 8.631 -1.970 -10.174
72 HZ3 LYS 9 2HZ LYS 9 8.097 -3.581 -10.239
73 H GLU 10 H GLU 10 4.711 -3.002 -5.323
74 HA GLU 10 HA GLU 10 4.447 -0.626 -7.080
75 HB2 GLU 10 2HB GLU 10 2.970 -2.970 -8.125
76 HB3 GLU 10 1HB GLU 10 3.803 -1.695 -9.002
77 HG2 GLU 10 2HG GLU 10 5.803 -2.844 -9.043
78 HG3 GLU 10 1HG GLU 10 5.458 -3.714 -7.552
79 H LYS 11 H LYS 11 1.996 -0.552 -7.751
80 HA LYS 11 HA LYS 11 0.419 -0.293 -5.391
81 HB2 LYS 11 2HB LYS 11 -0.022 1.006 -7.405
82 HB3 LYS 11 1HB LYS 11 -0.356 -0.465 -8.315
83 HG2 LYS 11 2HG LYS 11 -2.362 -0.881 -7.110
84 HG3 LYS 11 1HG LYS 11 -1.945 0.293 -5.860
85 HD2 LYS 11 2HD LYS 11 -3.625 1.256 -7.357
86 HD3 LYS 11 1HD LYS 11 -2.096 2.110 -7.554
87 HE2 LYS 11 2HE LYS 11 -3.215 1.566 -9.729
88 HE3 LYS 11 1HE LYS 11 -1.603 0.872 -9.585
89 HZ1 LYS 11 3HZ LYS 11 -3.971 -0.676 -8.763
90 HZ2 LYS 11 1HZ LYS 11 -2.447 -1.236 -9.255
91 HZ3 LYS 11 2HZ LYS 11 -3.527 -0.596 -10.400
92 H LYS 12 H LYS 12 0.514 -2.836 -7.891
93 HA LYS 12 HA LYS 12 -1.537 -4.422 -6.522
94 HB2 LYS 12 2HB LYS 12 -0.479 -6.071 -8.402
95 HB3 LYS 12 1HB LYS 12 -1.733 -4.891 -8.760
96 HG2 LYS 12 2HG LYS 12 -0.043 -3.266 -9.441
97 HG3 LYS 12 1HG LYS 12 1.247 -4.380 -8.983
98 HD2 LYS 12 2HD LYS 12 0.521 -5.972 -10.693
99 HD3 LYS 12 1HD LYS 12 -0.844 -4.933 -11.108
100 HE2 LYS 12 2HE LYS 12 1.281 -4.774 -12.580
101 HE3 LYS 12 1HE LYS 12 0.545 -3.268 -12.031
102 HZ1 LYS 12 3HZ LYS 12 2.916 -3.222 -11.678
103 HZ2 LYS 12 1HZ LYS 12 2.849 -4.654 -10.771
104 HZ3 LYS 12 2HZ LYS 12 2.115 -3.241 -10.179
105 H ASP 13 H ASP 13 1.870 -4.067 -6.354
106 HA ASP 13 HA ASP 13 2.520 -6.795 -5.694
107 HB2 ASP 13 2HB ASP 13 3.913 -4.349 -6.053
108 HB3 ASP 13 1HB ASP 13 4.404 -5.009 -4.496
109 H CYS 14 H CYS 14 0.791 -4.494 -3.877
110 HA CYS 14 HA CYS 14 1.803 -5.488 -1.305
111 HB2 CYS 14 2HB CYS 14 -0.304 -3.497 -2.133
112 HB3 CYS 14 1HB CYS 14 -0.132 -4.035 -0.484
113 H CYS 15 H CYS 15 0.632 -6.927 -0.027
114 HA CYS 15 HA CYS 15 -0.916 -8.871 -1.315
115 HB2 CYS 15 2HB CYS 15 -0.093 -8.301 1.377
116 HB3 CYS 15 1HB CYS 15 -1.785 -8.786 1.387
117 H CYS 16 H CYS 16 -3.107 -9.277 -1.417
118 HA CYS 16 HA CYS 16 -4.777 -7.184 -2.140
119 HB2 CYS 16 2HB CYS 16 -6.128 -9.485 -0.849
120 HB3 CYS 16 1HB CYS 16 -6.315 -8.836 -2.473
121 H GLY 17 H GLY 17 -5.551 -5.563 -1.063
122 HA2 GLY 17 2HA GLY 17 -7.011 -4.709 0.728
123 HA3 GLY 17 1HA GLY 17 -6.330 -5.919 1.812
124 H TYR 18 H TYR 18 -3.788 -4.865 0.010
125 HA TYR 18 HA TYR 18 -3.239 -2.527 1.859
126 HB2 TYR 18 2HB TYR 18 -1.278 -4.715 1.097
127 HB3 TYR 18 1HB TYR 18 -0.954 -3.339 2.149
128 HD1 TYR 18 1HD TYR 18 -2.157 -3.147 4.359
129 HD2 TYR 18 2HD TYR 18 -2.408 -6.650 1.891
130 HE1 TYR 18 1HE TYR 18 -3.021 -4.454 6.284
131 HE2 TYR 18 2HE TYR 18 -3.268 -7.950 3.815
132 HH TYR 18 HH TYR 18 -3.188 -7.826 6.296
133 H ASN 19 H ASN 19 -2.051 -0.825 0.845
134 HA ASN 19 HA ASN 19 -1.608 -1.183 -2.103
135 HB2 ASN 19 2HB ASN 19 -1.988 1.326 -2.204
136 HB3 ASN 19 1HB ASN 19 -3.409 0.365 -1.795
137 HD21 ASN 19 1HD2 ASN 19 -2.047 3.193 -0.935
138 HD22 ASN 19 2HD2 ASN 19 -2.416 3.232 0.722
139 H CYS 20 H CYS 20 0.039 0.434 -2.977
140 HA CYS 20 HA CYS 20 2.464 0.294 -1.300
141 HB2 CYS 20 2HB CYS 20 2.321 -0.309 -3.794
142 HB3 CYS 20 1HB CYS 20 2.205 1.412 -4.098
143 H VAL 21 H VAL 21 3.232 2.040 -0.194
144 HA VAL 21 HA VAL 21 2.264 4.759 -0.991
145 HB VAL 21 HB VAL 21 2.798 3.938 1.867
146 HG11 VAL 21 1HG1 VAL 21 1.295 6.201 0.517
147 HG12 VAL 21 2HG1 VAL 21 2.742 6.323 1.520
148 HG13 VAL 21 3HG1 VAL 21 1.201 5.869 2.246
149 HG21 VAL 21 3HG2 VAL 21 0.217 3.831 1.946
150 HG22 VAL 21 1HG2 VAL 21 1.061 2.452 1.247
151 HG23 VAL 21 2HG2 VAL 21 0.300 3.646 0.196
152 H TYR 22 H TYR 22 3.863 6.241 -1.303
153 HA TYR 22 HA TYR 22 6.647 5.327 -1.011
154 HB2 TYR 22 2HB TYR 22 5.685 7.015 -2.710
155 HB3 TYR 22 1HB TYR 22 5.758 8.191 -1.400
156 HD1 TYR 22 1HD TYR 22 7.722 6.057 -3.668
157 HD2 TYR 22 2HD TYR 22 7.909 8.952 -0.497
158 HE1 TYR 22 1HE TYR 22 10.137 6.390 -4.113
159 HE2 TYR 22 2HE TYR 22 10.328 9.281 -0.943
160 HH TYR 22 HH TYR 22 12.223 7.719 -2.056
161 H ALA 23 H ALA 23 7.716 5.293 0.898
162 HA ALA 23 HA ALA 23 6.759 6.980 3.129
163 HB1 ALA 23 1HB ALA 23 7.853 4.412 2.981
164 HB2 ALA 23 2HB ALA 23 7.603 5.346 4.453
165 HB3 ALA 23 3HB ALA 23 9.167 5.388 3.639
166 H TRP 24 H TRP 24 7.422 9.052 2.569
167 HA TRP 24 HA TRP 24 9.818 9.824 1.347
168 HB2 TRP 24 2HB TRP 24 9.416 12.036 2.235
169 HB3 TRP 24 1HB TRP 24 7.863 11.313 1.822
170 HD1 TRP 24 HD TRP 24 7.117 9.630 4.238
171 HE1 TRP 24 1HE TRP 24 6.734 10.658 6.565
172 HE3 TRP 24 3HE TRP 24 9.697 14.005 3.705
173 HZ2 TRP 24 2HZ TRP 24 7.426 13.020 8.014
174 HZ3 TRP 24 3HZ TRP 24 9.813 15.628 5.575
175 HH2 TRP 24 HH TRP 24 8.681 15.140 7.726
176 H TYR 25 H TYR 25 9.180 9.244 4.839
177 HA TYR 25 HA TYR 25 11.926 10.074 5.534
178 HB2 TYR 25 2HB TYR 25 11.328 9.661 7.731
179 HB3 TYR 25 1HB TYR 25 9.732 9.875 7.023
180 HD1 TYR 25 1HD TYR 25 9.020 7.442 5.735
181 HD2 TYR 25 2HD TYR 25 11.361 7.958 9.303
182 HE1 TYR 25 1HE TYR 25 8.376 5.166 6.498
183 HE2 TYR 25 2HE TYR 25 10.717 5.686 10.054
184 HH TYR 25 HH TYR 25 8.550 3.643 8.086
185 H ASN 26 H ASN 26 13.752 8.809 5.664
186 HA ASN 26 HA ASN 26 15.139 6.996 5.167
187 HB2 ASN 26 2HB ASN 26 14.721 5.208 6.501
188 HB3 ASN 26 1HB ASN 26 13.327 6.135 7.048
189 HD21 ASN 26 1HD2 ASN 26 11.220 5.539 6.226
190 HD22 ASN 26 2HD2 ASN 26 10.969 4.091 5.385
191 H GLN 27 H GLN 27 12.813 7.951 3.279
192 HA GLN 27 HA GLN 27 12.005 7.385 1.156
193 HB2 GLN 27 2HB GLN 27 14.844 6.548 1.333
194 HB3 GLN 27 1HB GLN 27 13.957 5.822 0.020
195 HG2 GLN 27 2HG GLN 27 14.835 7.843 -0.881
196 HG3 GLN 27 1HG GLN 27 13.142 8.202 -0.546
197 HE21 GLN 27 1HE2 GLN 27 12.676 9.784 1.070
198 HE22 GLN 27 2HE2 GLN 27 13.881 10.624 1.920
199 H GLN 28 H GLN 28 12.534 4.910 -0.316
200 HA GLN 28 HA GLN 28 11.640 2.773 -0.554
201 HB2 GLN 28 2HB GLN 28 13.011 2.018 1.233
202 HB3 GLN 28 1HB GLN 28 12.037 2.831 2.446
203 HG2 GLN 28 2HG GLN 28 11.476 0.512 2.563
204 HG3 GLN 28 1HG GLN 28 10.125 1.285 1.734
205 HE21 GLN 28 1HE2 GLN 28 10.491 1.352 -0.813
206 HE22 GLN 28 2HE2 GLN 28 11.101 -0.076 -1.495
207 H SER 29 H SER 29 9.608 1.872 -0.697
208 HA SER 29 HA SER 29 7.385 3.523 0.389
209 HB2 SER 29 2HB SER 29 7.437 1.398 -1.768
210 HB3 SER 29 1HB SER 29 6.022 2.309 -1.266
211 HG SER 29 HG SER 29 8.325 3.723 -1.945
212 H SER 30 H SER 30 5.542 2.377 1.377
213 HA SER 30 HA SER 30 6.128 -0.360 2.247
214 HB2 SER 30 2HB SER 30 6.832 1.162 4.063
215 HB3 SER 30 1HB SER 30 5.207 1.843 4.091
216 HG SER 30 HG SER 30 5.263 0.261 5.633
217 H CYS 31 H CYS 31 4.385 -1.694 2.371
218 HA CYS 31 HA CYS 31 1.956 -0.888 1.081
219 HB2 CYS 31 2HB CYS 31 2.656 -3.325 2.727
220 HB3 CYS 31 1HB CYS 31 1.106 -3.123 1.938
221 H GLU 32 H GLU 32 -0.128 -0.524 2.024
222 HA GLU 32 HA GLU 32 -0.283 -0.412 4.974
223 HB2 GLU 32 2HB GLU 32 -0.706 1.839 5.192
224 HB3 GLU 32 1HB GLU 32 0.417 1.885 3.836
225 HG2 GLU 32 2HG GLU 32 -1.372 2.094 2.253
226 HG3 GLU 32 1HG GLU 32 -2.572 1.716 3.488
227 H ARG 33 H ARG 33 -2.315 -0.874 5.734
228 HA ARG 33 HA ARG 33 -4.132 -2.137 3.942
229 HB2 ARG 33 2HB ARG 33 -3.846 -2.392 6.535
230 HB3 ARG 33 1HB ARG 33 -5.028 -1.090 6.613
231 HG2 ARG 33 2HG ARG 33 -5.948 -2.985 4.663
232 HG3 ARG 33 1HG ARG 33 -5.495 -3.881 6.108
233 HD2 ARG 33 2HD ARG 33 -7.156 -1.392 6.359
234 HD3 ARG 33 1HD ARG 33 -7.909 -2.911 5.888
235 HE ARG 33 HE ARG 33 -6.840 -3.853 8.041
236 HH11 ARG 33 1HH2 ARG 33 -7.681 -0.522 7.603
237 HH12 ARG 33 2HH2 ARG 33 -7.868 -0.219 9.295
238 HH21 ARG 33 2HH1 ARG 33 -7.086 -3.459 10.244
239 HH22 ARG 33 1HH1 ARG 33 -7.533 -1.875 10.789
240 H LYS 34 H LYS 34 -6.289 -1.504 3.398
241 HA LYS 34 HA LYS 34 -7.173 1.200 3.840
242 HB2 LYS 34 2HB LYS 34 -7.339 1.773 1.447
243 HB3 LYS 34 1HB LYS 34 -5.666 1.629 1.980
244 HG2 LYS 34 2HG LYS 34 -5.267 -0.188 0.667
245 HG3 LYS 34 1HG LYS 34 -6.811 -0.927 1.064
246 HD2 LYS 34 2HD LYS 34 -7.470 1.317 -0.535
247 HD3 LYS 34 1HD LYS 34 -6.057 0.610 -1.306
248 HE2 LYS 34 2HE LYS 34 -7.595 -0.747 -2.308
249 HE3 LYS 34 1HE LYS 34 -7.539 -1.642 -0.791
250 HZ1 LYS 34 3HZ LYS 34 -9.748 -0.496 -1.878
251 HZ2 LYS 34 1HZ LYS 34 -9.288 0.634 -0.701
252 HZ3 LYS 34 2HZ LYS 34 -9.586 -0.978 -0.257
253 H TRP 35 H TRP 35 -8.693 -0.460 4.747
254 HA TRP 35 HA TRP 35 -10.564 -1.443 2.648
255 HB2 TRP 35 2HB TRP 35 -11.245 -3.182 4.150
256 HB3 TRP 35 1HB TRP 35 -9.487 -3.166 4.133
257 HD1 TRP 35 HD TRP 35 -9.448 -0.483 6.185
258 HE1 TRP 35 1HE TRP 35 -9.765 -1.007 8.685
259 HE3 TRP 35 3HE TRP 35 -11.585 -5.120 5.864
260 HZ2 TRP 35 2HZ TRP 35 -10.795 -3.106 10.338
261 HZ3 TRP 35 3HZ TRP 35 -12.219 -6.356 7.915
262 HH2 TRP 35 HH TRP 35 -11.826 -5.357 10.149
263 H LYS 36 H LYS 36 -12.541 -0.631 2.574
264 HA LYS 36 HA LYS 36 -13.309 1.642 4.079
265 HB2 LYS 36 2HB LYS 36 -14.709 -0.280 2.254
266 HB3 LYS 36 1HB LYS 36 -15.686 0.863 3.176
267 HG2 LYS 36 2HG LYS 36 -14.965 2.660 1.962
268 HG3 LYS 36 1HG LYS 36 -13.323 2.042 1.815
269 HD2 LYS 36 2HD LYS 36 -15.576 0.695 0.330
270 HD3 LYS 36 1HD LYS 36 -14.852 2.167 -0.317
271 HE2 LYS 36 2HE LYS 36 -13.230 0.870 -1.212
272 HE3 LYS 36 1HE LYS 36 -12.660 0.547 0.423
273 HZ1 LYS 36 3HZ LYS 36 -14.890 -0.986 -0.755
274 HZ2 LYS 36 1HZ LYS 36 -13.890 -1.402 0.550
275 HZ3 LYS 36 2HZ LYS 36 -13.273 -1.427 -1.033
276 H TYR 37 H TYR 37 -13.866 -1.761 4.403
277 HA TYR 37 HA TYR 37 -13.994 -2.061 7.129
278 HB2 TYR 37 2HB TYR 37 -15.636 -0.340 7.485
279 HB3 TYR 37 1HB TYR 37 -16.668 -0.968 6.200
280 HD1 TYR 37 2HD TYR 37 -15.016 -2.134 9.369
281 HD2 TYR 37 1HD TYR 37 -18.472 -2.299 6.824
282 HE1 TYR 37 2HE TYR 37 -16.157 -3.599 11.014
283 HE2 TYR 37 1HE TYR 37 -19.613 -3.764 8.467
284 HH TYR 37 HH TYR 37 -19.504 -4.294 10.839
285 H LEU 38 H LEU 38 -13.862 -3.389 4.457
286 HA LEU 38 HA LEU 38 -14.734 -5.947 5.201
287 HB2 LEU 38 2HB LEU 38 -16.717 -6.338 3.987
288 HB3 LEU 38 1HB LEU 38 -16.985 -4.791 4.753
289 HG LEU 38 HG LEU 38 -17.749 -4.405 2.592
290 HD11 LEU 38 1HD1 LEU 38 -16.479 -2.528 2.660
291 HD12 LEU 38 2HD1 LEU 38 -15.630 -3.312 1.332
292 HD13 LEU 38 3HD1 LEU 38 -14.982 -3.396 2.959
293 HD21 LEU 38 3HD2 LEU 38 -17.246 -5.660 0.792
294 HD22 LEU 38 1HD2 LEU 38 -16.344 -6.673 1.910
295 HD23 LEU 38 2HD2 LEU 38 -15.514 -5.423 0.991
296 H PHE 39 H PHE 39 -14.969 -7.317 2.934
297 HA PHE 39 HA PHE 39 -12.551 -7.799 1.870
298 HB2 PHE 39 2HB PHE 39 -15.001 -7.518 0.109
299 HB3 PHE 39 1HB PHE 39 -13.590 -8.525 -0.211
300 HD1 PHE 39 1HD PHE 39 -12.950 -10.103 1.919
301 HD2 PHE 39 2HD PHE 39 -16.867 -8.617 0.965
302 HE1 PHE 39 1HE PHE 39 -13.972 -11.950 3.219
303 HE2 PHE 39 2HE PHE 39 -17.886 -10.460 2.269
304 HZ PHE 39 HZ PHE 39 -16.439 -12.129 3.395
305 H THR 40 H THR 40 -10.958 -6.582 1.030
306 HA THR 40 HA THR 40 -11.511 -3.932 -0.101
307 HB THR 40 HB THR 40 -8.880 -4.254 -0.570
308 HG1 THR 40 1HG THR 40 -9.144 -5.793 1.730
309 HG21 THR 40 3HG2 THR 40 -9.636 -2.530 0.873
310 HG22 THR 40 1HG2 THR 40 -8.555 -3.506 1.864
311 HG23 THR 40 2HG2 THR 40 -10.300 -3.684 2.030
312 H GLY 41 H GLY 41 -12.622 -6.214 -1.535
313 HA2 GLY 41 2HA GLY 41 -12.914 -6.740 -3.820
314 HA3 GLY 41 1HA GLY 41 -11.677 -5.540 -4.203
315 H GLU 42 H GLU 42 -10.206 -6.663 -5.446
316 HA GLU 42 HA GLU 42 -8.929 -9.036 -4.165
317 HB2 GLU 42 2HB GLU 42 -10.618 -9.727 -5.924
318 HB3 GLU 42 1HB GLU 42 -9.609 -8.903 -7.110
319 HG2 GLU 42 2HG GLU 42 -8.974 -11.228 -7.122
320 HG3 GLU 42 1HG GLU 42 -7.677 -10.338 -6.327
321 H CYS 43 H CYS 43 -6.741 -9.370 -4.845
322 HA CYS 43 HA CYS 43 -5.425 -6.863 -5.729
323 HB2 CYS 43 2HB CYS 43 -3.358 -8.097 -4.957
324 HB3 CYS 43 1HB CYS 43 -4.562 -7.853 -3.719
325 HXT CYS 43 2HT CYS 43 -4.914 -10.145 -6.230
Start of MODEL 18
1 H1 CYS 1 1H CYS 1 4.964 -10.538 -1.056
2 H2 CYS 1 2H CYS 1 3.404 -11.014 -0.646
3 H3 CYS 1 3H CYS 1 3.850 -10.901 -2.263
4 HA CYS 1 HA CYS 1 4.126 -8.510 -2.059
5 HB2 CYS 1 2HB CYS 1 1.646 -8.061 -1.420
6 HB3 CYS 1 1HB CYS 1 1.959 -9.069 -2.824
7 H GLY 2 H GLY 2 3.900 -6.603 -0.670
8 HA2 GLY 2 2HA GLY 2 4.756 -7.093 2.065
9 HA3 GLY 2 1HA GLY 2 4.406 -5.515 1.359
10 H SER 3 H SER 3 3.574 -6.606 3.993
11 HA SER 3 HA SER 3 0.605 -6.705 3.651
12 HB2 SER 3 2HB SER 3 2.321 -7.401 6.055
13 HB3 SER 3 1HB SER 3 0.571 -7.567 5.963
14 HG SER 3 HG SER 3 2.509 -8.875 4.346
15 H LYS 4 H LYS 4 -0.266 -5.753 6.061
16 HA LYS 4 HA LYS 4 -0.508 -3.035 5.881
17 HB2 LYS 4 2HB LYS 4 -1.613 -4.249 7.687
18 HB3 LYS 4 1HB LYS 4 -0.061 -4.610 8.435
19 HG2 LYS 4 2HG LYS 4 0.067 -1.862 8.261
20 HG3 LYS 4 1HG LYS 4 -1.656 -2.110 8.516
21 HD2 LYS 4 2HD LYS 4 0.311 -3.581 10.257
22 HD3 LYS 4 1HD LYS 4 -0.039 -1.888 10.584
23 HE2 LYS 4 2HE LYS 4 -2.152 -2.330 11.322
24 HE3 LYS 4 1HE LYS 4 -2.420 -3.590 10.117
25 HZ1 LYS 4 3HZ LYS 4 -0.694 -4.880 11.501
26 HZ2 LYS 4 1HZ LYS 4 -2.288 -4.777 12.070
27 HZ3 LYS 4 2HZ LYS 4 -1.084 -3.780 12.736
28 H ARG 5 H ARG 5 0.969 -1.396 5.724
29 HA ARG 5 HA ARG 5 3.037 -0.282 5.917
30 HB2 ARG 5 2HB ARG 5 1.962 -0.267 8.256
31 HB3 ARG 5 1HB ARG 5 3.084 -1.564 8.653
32 HG2 ARG 5 2HG ARG 5 4.990 -0.135 8.137
33 HG3 ARG 5 1HG ARG 5 3.909 1.153 7.595
34 HD2 ARG 5 2HD ARG 5 4.658 1.562 9.914
35 HD3 ARG 5 1HD ARG 5 2.917 1.282 9.849
36 HE ARG 5 HE ARG 5 4.667 -1.043 10.444
37 HH11 ARG 5 1HH2 ARG 5 2.391 1.363 11.445
38 HH12 ARG 5 2HH2 ARG 5 1.957 0.527 12.897
39 HH21 ARG 5 2HH1 ARG 5 4.104 -2.133 12.333
40 HH22 ARG 5 1HH1 ARG 5 2.925 -1.446 13.398
41 H ALA 6 H ALA 6 4.067 -1.649 4.374
42 HA ALA 6 HA ALA 6 6.402 -3.040 5.362
43 HB1 ALA 6 1HB ALA 6 4.468 -4.695 5.777
44 HB2 ALA 6 2HB ALA 6 5.848 -5.303 4.865
45 HB3 ALA 6 3HB ALA 6 4.371 -4.840 4.022
46 H TRP 7 H TRP 7 7.859 -2.708 3.858
47 HA TRP 7 HA TRP 7 7.939 -1.402 1.568
48 HB2 TRP 7 2HB TRP 7 9.933 -2.431 2.246
49 HB3 TRP 7 1HB TRP 7 9.230 -4.045 2.184
50 HD1 TRP 7 HD TRP 7 10.316 -1.199 -0.175
51 HE1 TRP 7 1HE TRP 7 10.923 -2.241 -2.452
52 HE3 TRP 7 3HE TRP 7 9.018 -6.044 0.718
53 HZ2 TRP 7 2HZ TRP 7 10.856 -4.809 -3.735
54 HZ3 TRP 7 3HZ TRP 7 9.300 -7.769 -1.032
55 HH2 TRP 7 HH TRP 7 10.215 -7.158 -3.254
56 H CYS 8 H CYS 8 7.366 -1.519 -0.601
57 HA CYS 8 HA CYS 8 5.823 -3.946 -1.492
58 HB2 CYS 8 2HB CYS 8 4.570 -2.079 -2.926
59 HB3 CYS 8 1HB CYS 8 4.041 -2.517 -1.318
60 H LYS 9 H LYS 9 5.817 -4.262 -3.808
61 HA LYS 9 HA LYS 9 8.286 -3.335 -5.133
62 HB2 LYS 9 2HB LYS 9 6.264 -5.492 -5.511
63 HB3 LYS 9 1HB LYS 9 7.001 -4.863 -6.965
64 HG2 LYS 9 2HG LYS 9 9.235 -5.398 -6.097
65 HG3 LYS 9 1HG LYS 9 8.515 -5.958 -4.582
66 HD2 LYS 9 2HD LYS 9 7.223 -7.664 -5.847
67 HD3 LYS 9 1HD LYS 9 8.019 -7.142 -7.332
68 HE2 LYS 9 2HE LYS 9 9.291 -8.437 -4.909
69 HE3 LYS 9 1HE LYS 9 9.221 -9.062 -6.556
70 HZ1 LYS 9 3HZ LYS 9 11.281 -8.169 -6.606
71 HZ2 LYS 9 1HZ LYS 9 10.941 -6.998 -5.427
72 HZ3 LYS 9 2HZ LYS 9 10.412 -6.770 -7.025
73 H GLU 10 H GLU 10 4.770 -3.227 -5.426
74 HA GLU 10 HA GLU 10 4.790 -0.669 -6.843
75 HB2 GLU 10 2HB GLU 10 4.029 -3.229 -8.229
76 HB3 GLU 10 1HB GLU 10 3.215 -1.732 -8.654
77 HG2 GLU 10 2HG GLU 10 6.221 -2.129 -8.717
78 HG3 GLU 10 1HG GLU 10 5.165 -2.202 -10.123
79 H LYS 11 H LYS 11 2.238 -0.443 -7.633
80 HA LYS 11 HA LYS 11 0.740 -0.343 -5.171
81 HB2 LYS 11 2HB LYS 11 0.421 1.186 -7.170
82 HB3 LYS 11 1HB LYS 11 -0.373 -0.161 -7.987
83 HG2 LYS 11 2HG LYS 11 -2.049 -0.289 -6.195
84 HG3 LYS 11 1HG LYS 11 -1.240 1.016 -5.335
85 HD2 LYS 11 2HD LYS 11 -1.594 2.436 -7.433
86 HD3 LYS 11 1HD LYS 11 -2.680 1.162 -7.986
87 HE2 LYS 11 2HE LYS 11 -3.021 2.411 -5.258
88 HE3 LYS 11 1HE LYS 11 -3.715 3.159 -6.694
89 HZ1 LYS 11 3HZ LYS 11 -5.194 1.486 -6.974
90 HZ2 LYS 11 1HZ LYS 11 -5.021 1.379 -5.289
91 HZ3 LYS 11 2HZ LYS 11 -4.179 0.302 -6.298
92 H LYS 12 H LYS 12 0.509 -2.411 -8.055
93 HA LYS 12 HA LYS 12 -1.655 -4.021 -6.947
94 HB2 LYS 12 2HB LYS 12 -1.874 -4.349 -9.177
95 HB3 LYS 12 1HB LYS 12 -0.267 -3.701 -9.481
96 HG2 LYS 12 2HG LYS 12 0.703 -5.933 -8.886
97 HG3 LYS 12 1HG LYS 12 -0.935 -6.558 -8.694
98 HD2 LYS 12 2HD LYS 12 -0.429 -7.167 -10.896
99 HD3 LYS 12 1HD LYS 12 -1.283 -5.641 -11.126
100 HE2 LYS 12 2HE LYS 12 1.016 -4.509 -11.049
101 HE3 LYS 12 1HE LYS 12 1.702 -6.125 -11.190
102 HZ1 LYS 12 3HZ LYS 12 -0.387 -5.319 -13.081
103 HZ2 LYS 12 1HZ LYS 12 0.919 -6.380 -13.301
104 HZ3 LYS 12 2HZ LYS 12 1.181 -4.701 -13.297
105 H ASP 13 H ASP 13 1.729 -3.993 -6.552
106 HA ASP 13 HA ASP 13 2.001 -6.863 -6.122
107 HB2 ASP 13 2HB ASP 13 3.755 -4.460 -6.060
108 HB3 ASP 13 1HB ASP 13 4.292 -5.908 -5.238
109 H CYS 14 H CYS 14 0.566 -4.542 -4.211
110 HA CYS 14 HA CYS 14 1.816 -5.362 -1.686
111 HB2 CYS 14 2HB CYS 14 -0.339 -3.455 -2.520
112 HB3 CYS 14 1HB CYS 14 -0.306 -4.017 -0.864
113 H CYS 15 H CYS 15 0.836 -6.779 -0.195
114 HA CYS 15 HA CYS 15 -0.716 -8.902 -1.148
115 HB2 CYS 15 2HB CYS 15 -0.170 -7.743 1.567
116 HB3 CYS 15 1HB CYS 15 -1.302 -9.056 1.401
117 H CYS 16 H CYS 16 -2.905 -9.221 -1.318
118 HA CYS 16 HA CYS 16 -4.775 -7.304 -1.822
119 HB2 CYS 16 2HB CYS 16 -5.213 -9.772 -1.813
120 HB3 CYS 16 1HB CYS 16 -5.343 -9.708 -0.057
121 H GLY 17 H GLY 17 -6.224 -5.946 -0.562
122 HA2 GLY 17 2HA GLY 17 -6.935 -4.760 1.341
123 HA3 GLY 17 1HA GLY 17 -6.128 -5.968 2.338
124 H TYR 18 H TYR 18 -3.831 -4.882 0.124
125 HA TYR 18 HA TYR 18 -3.121 -2.568 1.943
126 HB2 TYR 18 2HB TYR 18 -1.256 -4.836 1.202
127 HB3 TYR 18 1HB TYR 18 -0.795 -3.377 2.077
128 HD1 TYR 18 1HD TYR 18 -2.435 -2.783 4.123
129 HD2 TYR 18 2HD TYR 18 -1.803 -6.708 2.503
130 HE1 TYR 18 1HE TYR 18 -3.199 -3.790 6.257
131 HE2 TYR 18 2HE TYR 18 -2.548 -7.714 4.645
132 HH TYR 18 HH TYR 18 -2.562 -6.518 7.328
133 H ASN 19 H ASN 19 -1.596 -1.054 1.025
134 HA ASN 19 HA ASN 19 -1.396 -1.168 -1.966
135 HB2 ASN 19 2HB ASN 19 -3.210 0.328 -1.360
136 HB3 ASN 19 1HB ASN 19 -2.181 1.161 -0.197
137 HD21 ASN 19 1HD2 ASN 19 -1.401 3.094 -1.012
138 HD22 ASN 19 2HD2 ASN 19 -1.021 3.385 -2.641
139 H CYS 20 H CYS 20 0.279 0.517 -2.771
140 HA CYS 20 HA CYS 20 2.688 0.281 -1.070
141 HB2 CYS 20 2HB CYS 20 2.548 -0.170 -3.632
142 HB3 CYS 20 1HB CYS 20 2.581 1.582 -3.794
143 H VAL 21 H VAL 21 2.885 1.856 0.443
144 HA VAL 21 HA VAL 21 2.095 4.647 -0.253
145 HB VAL 21 HB VAL 21 2.138 3.037 2.237
146 HG11 VAL 21 1HG1 VAL 21 2.402 5.121 3.650
147 HG12 VAL 21 2HG1 VAL 21 3.034 5.931 2.218
148 HG13 VAL 21 3HG1 VAL 21 3.891 4.548 2.901
149 HG21 VAL 21 3HG2 VAL 21 -0.016 3.667 1.669
150 HG22 VAL 21 1HG2 VAL 21 0.498 5.204 0.977
151 HG23 VAL 21 2HG2 VAL 21 0.414 5.012 2.722
152 H TYR 22 H TYR 22 3.609 6.259 -0.444
153 HA TYR 22 HA TYR 22 6.417 5.460 -0.516
154 HB2 TYR 22 2HB TYR 22 5.483 7.379 -1.835
155 HB3 TYR 22 1HB TYR 22 5.312 8.276 -0.322
156 HD1 TYR 22 1HD TYR 22 7.726 6.769 -2.682
157 HD2 TYR 22 2HD TYR 22 7.241 9.119 0.872
158 HE1 TYR 22 1HE TYR 22 10.130 7.371 -2.754
159 HE2 TYR 22 2HE TYR 22 9.648 9.715 0.813
160 HH TYR 22 HH TYR 22 11.775 8.665 -0.174
161 H ALA 23 H ALA 23 8.036 5.756 1.006
162 HA ALA 23 HA ALA 23 7.149 6.098 3.792
163 HB1 ALA 23 1HB ALA 23 9.030 4.514 2.615
164 HB2 ALA 23 2HB ALA 23 9.005 4.911 4.327
165 HB3 ALA 23 3HB ALA 23 10.029 5.831 3.228
166 H TRP 24 H TRP 24 9.758 7.137 4.592
167 HA TRP 24 HA TRP 24 10.176 9.737 3.433
168 HB2 TRP 24 2HB TRP 24 9.216 10.888 5.648
169 HB3 TRP 24 1HB TRP 24 8.185 10.593 4.250
170 HD1 TRP 24 HD TRP 24 9.115 9.004 7.630
171 HE1 TRP 24 1HE TRP 24 7.147 7.547 8.421
172 HE3 TRP 24 3HE TRP 24 6.029 9.417 3.581
173 HZ2 TRP 24 2HZ TRP 24 4.601 6.671 7.468
174 HZ3 TRP 24 3HZ TRP 24 3.840 8.261 3.551
175 HH2 TRP 24 HH TRP 24 3.119 6.892 5.489
176 H TYR 25 H TYR 25 10.181 8.035 6.646
177 HA TYR 25 HA TYR 25 12.782 9.412 7.224
178 HB2 TYR 25 2HB TYR 25 12.579 8.626 9.407
179 HB3 TYR 25 1HB TYR 25 10.893 8.790 8.937
180 HD1 TYR 25 2HD TYR 25 9.838 6.631 7.782
181 HD2 TYR 25 1HD TYR 25 13.298 6.612 10.328
182 HE1 TYR 25 2HE TYR 25 9.485 4.221 8.252
183 HE2 TYR 25 1HE TYR 25 12.943 4.204 10.797
184 HH TYR 25 HH TYR 25 11.850 2.285 9.828
185 H ASN 26 H ASN 26 11.576 6.248 6.266
186 HA ASN 26 HA ASN 26 14.402 5.286 6.081
187 HB2 ASN 26 2HB ASN 26 13.506 3.020 6.120
188 HB3 ASN 26 1HB ASN 26 12.880 3.914 7.503
189 HD21 ASN 26 1HD2 ASN 26 10.800 5.394 6.322
190 HD22 ASN 26 2HD2 ASN 26 9.632 4.327 5.707
191 H GLN 27 H GLN 27 12.360 6.860 4.185
192 HA GLN 27 HA GLN 27 12.009 6.981 1.873
193 HB2 GLN 27 2HB GLN 27 14.586 5.383 1.956
194 HB3 GLN 27 1HB GLN 27 13.909 6.095 0.491
195 HG2 GLN 27 2HG GLN 27 14.618 7.660 2.992
196 HG3 GLN 27 1HG GLN 27 15.639 7.548 1.555
197 HE21 GLN 27 1HE2 GLN 27 13.533 9.633 2.968
198 HE22 GLN 27 2HE2 GLN 27 12.856 10.359 1.591
199 H GLN 28 H GLN 28 12.409 5.234 -0.196
200 HA GLN 28 HA GLN 28 11.475 3.356 -1.244
201 HB2 GLN 28 2HB GLN 28 12.770 2.368 0.936
202 HB3 GLN 28 1HB GLN 28 11.124 1.870 1.308
203 HG2 GLN 28 2HG GLN 28 12.221 0.103 0.033
204 HG3 GLN 28 1HG GLN 28 10.965 0.832 -0.962
205 HE21 GLN 28 1HE2 GLN 28 11.866 0.611 -3.046
206 HE22 GLN 28 2HE2 GLN 28 13.367 1.262 -3.500
207 H SER 29 H SER 29 9.466 1.638 -0.514
208 HA SER 29 HA SER 29 7.250 3.396 0.459
209 HB2 SER 29 2HB SER 29 7.268 1.592 -1.970
210 HB3 SER 29 1HB SER 29 5.807 2.258 -1.257
211 HG SER 29 HG SER 29 7.154 4.338 -1.490
212 H SER 30 H SER 30 5.620 2.278 1.603
213 HA SER 30 HA SER 30 6.069 -0.587 2.085
214 HB2 SER 30 2HB SER 30 5.623 -0.274 4.443
215 HB3 SER 30 1HB SER 30 6.886 0.855 3.975
216 HG SER 30 HG SER 30 4.552 2.011 3.509
217 H CYS 31 H CYS 31 4.168 -1.850 2.244
218 HA CYS 31 HA CYS 31 1.832 -0.742 0.997
219 HB2 CYS 31 2HB CYS 31 2.129 -3.316 2.562
220 HB3 CYS 31 1HB CYS 31 0.732 -2.884 1.597
221 H GLU 32 H GLU 32 -0.221 -0.231 1.924
222 HA GLU 32 HA GLU 32 -0.431 -0.230 4.882
223 HB2 GLU 32 2HB GLU 32 -0.289 2.017 5.166
224 HB3 GLU 32 1HB GLU 32 0.396 2.078 3.542
225 HG2 GLU 32 2HG GLU 32 -1.836 2.370 2.581
226 HG3 GLU 32 1HG GLU 32 -2.562 2.238 4.183
227 H ARG 33 H ARG 33 -2.641 -0.063 5.611
228 HA ARG 33 HA ARG 33 -4.578 -1.256 3.881
229 HB2 ARG 33 2HB ARG 33 -4.425 -1.034 6.538
230 HB3 ARG 33 1HB ARG 33 -5.448 0.371 6.248
231 HG2 ARG 33 2HG ARG 33 -6.865 -1.566 6.663
232 HG3 ARG 33 1HG ARG 33 -7.024 -1.097 4.973
233 HD2 ARG 33 2HD ARG 33 -6.628 -3.320 4.585
234 HD3 ARG 33 1HD ARG 33 -4.947 -2.862 4.806
235 HE ARG 33 HE ARG 33 -4.926 -4.125 6.766
236 HH11 ARG 33 1HH2 ARG 33 -8.132 -3.117 5.985
237 HH12 ARG 33 2HH2 ARG 33 -8.867 -4.033 7.257
238 HH21 ARG 33 2HH1 ARG 33 -5.864 -5.323 8.417
239 HH22 ARG 33 1HH1 ARG 33 -7.581 -5.286 8.635
240 H LYS 34 H LYS 34 -6.083 -0.350 2.517
241 HA LYS 34 HA LYS 34 -5.766 2.463 1.905
242 HB2 LYS 34 2HB LYS 34 -7.578 0.418 0.626
243 HB3 LYS 34 1HB LYS 34 -7.170 1.999 -0.034
244 HG2 LYS 34 2HG LYS 34 -4.733 1.255 0.064
245 HG3 LYS 34 1HG LYS 34 -5.347 -0.369 0.388
246 HD2 LYS 34 2HD LYS 34 -5.222 -0.461 -1.936
247 HD3 LYS 34 1HD LYS 34 -6.863 0.150 -1.747
248 HE2 LYS 34 2HE LYS 34 -4.484 2.001 -2.036
249 HE3 LYS 34 1HE LYS 34 -5.376 1.384 -3.425
250 HZ1 LYS 34 3HZ LYS 34 -7.373 2.246 -1.891
251 HZ2 LYS 34 1HZ LYS 34 -6.619 3.207 -3.067
252 HZ3 LYS 34 2HZ LYS 34 -6.162 3.345 -1.437
253 H TRP 35 H TRP 35 -7.691 0.933 4.135
254 HA TRP 35 HA TRP 35 -9.756 1.530 5.138
255 HB2 TRP 35 2HB TRP 35 -9.433 4.236 3.807
256 HB3 TRP 35 1HB TRP 35 -10.266 3.861 5.305
257 HD1 TRP 35 HD TRP 35 -6.613 3.487 4.018
258 HE1 TRP 35 1HE TRP 35 -5.034 4.270 5.892
259 HE3 TRP 35 3HE TRP 35 -10.035 4.696 7.622
260 HZ2 TRP 35 2HZ TRP 35 -5.186 5.286 8.547
261 HZ3 TRP 35 3HZ TRP 35 -9.282 5.579 9.809
262 HH2 TRP 35 HH TRP 35 -6.864 5.876 10.279
263 H LYS 36 H LYS 36 -11.863 3.071 4.168
264 HA LYS 36 HA LYS 36 -12.251 2.749 1.343
265 HB2 LYS 36 2HB LYS 36 -13.693 0.815 3.157
266 HB3 LYS 36 1HB LYS 36 -14.236 1.186 1.528
267 HG2 LYS 36 2HG LYS 36 -11.550 -0.041 2.252
268 HG3 LYS 36 1HG LYS 36 -12.918 -0.892 1.561
269 HD2 LYS 36 2HD LYS 36 -12.802 0.392 -0.482
270 HD3 LYS 36 1HD LYS 36 -11.563 1.444 0.189
271 HE2 LYS 36 2HE LYS 36 -10.235 -0.806 0.532
272 HE3 LYS 36 1HE LYS 36 -11.324 -1.398 -0.723
273 HZ1 LYS 36 3HZ LYS 36 -10.530 1.017 -1.668
274 HZ2 LYS 36 1HZ LYS 36 -9.894 -0.482 -2.143
275 HZ3 LYS 36 2HZ LYS 36 -9.117 0.424 -0.932
276 H TYR 37 H TYR 37 -13.752 3.074 4.505
277 HA TYR 37 HA TYR 37 -14.807 5.650 3.957
278 HB2 TYR 37 2HB TYR 37 -16.144 4.539 2.182
279 HB3 TYR 37 1HB TYR 37 -16.846 3.482 3.399
280 HD1 TYR 37 1HD TYR 37 -16.224 7.146 2.899
281 HD2 TYR 37 2HD TYR 37 -18.946 4.093 4.200
282 HE1 TYR 37 1HE TYR 37 -17.935 8.877 3.375
283 HE2 TYR 37 2HE TYR 37 -20.655 5.820 4.683
284 HH TYR 37 HH TYR 37 -20.050 9.272 4.057
285 H LEU 38 H LEU 38 -14.935 2.679 5.669
286 HA LEU 38 HA LEU 38 -15.411 4.051 8.139
287 HB2 LEU 38 2HB LEU 38 -17.506 2.386 8.512
288 HB3 LEU 38 1HB LEU 38 -17.688 4.015 7.889
289 HG LEU 38 HG LEU 38 -17.510 3.061 5.564
290 HD11 LEU 38 1HD1 LEU 38 -18.272 0.371 6.466
291 HD12 LEU 38 2HD1 LEU 38 -16.604 0.782 6.844
292 HD13 LEU 38 3HD1 LEU 38 -17.168 0.853 5.181
293 HD21 LEU 38 3HD2 LEU 38 -19.689 3.605 6.385
294 HD22 LEU 38 1HD2 LEU 38 -19.717 2.186 7.432
295 HD23 LEU 38 2HD2 LEU 38 -19.818 1.992 5.682
296 H PHE 39 H PHE 39 -16.346 1.744 9.620
297 HA PHE 39 HA PHE 39 -13.920 0.457 10.195
298 HB2 PHE 39 2HB PHE 39 -16.095 0.508 11.574
299 HB3 PHE 39 1HB PHE 39 -16.588 -0.877 10.601
300 HD1 PHE 39 2HD PHE 39 -13.569 0.323 12.484
301 HD2 PHE 39 1HD PHE 39 -16.086 -2.999 11.443
302 HE1 PHE 39 2HE PHE 39 -12.205 -1.160 13.923
303 HE2 PHE 39 1HE PHE 39 -14.719 -4.484 12.886
304 HZ PHE 39 HZ PHE 39 -12.778 -3.565 14.125
305 H THR 40 H THR 40 -16.541 -0.608 8.124
306 HA THR 40 HA THR 40 -15.230 -3.094 7.408
307 HB THR 40 HB THR 40 -17.409 -1.596 5.914
308 HG1 THR 40 1HG THR 40 -17.501 -3.642 7.877
309 HG21 THR 40 3HG2 THR 40 -16.403 -4.450 5.785
310 HG22 THR 40 1HG2 THR 40 -16.360 -3.246 4.496
311 HG23 THR 40 2HG2 THR 40 -17.904 -3.900 5.040
312 H GLY 41 H GLY 41 -14.283 -3.561 5.320
313 HA2 GLY 41 2HA GLY 41 -13.653 -2.361 3.097
314 HA3 GLY 41 1HA GLY 41 -12.892 -1.180 4.164
315 H GLU 42 H GLU 42 -12.798 -4.446 5.265
316 HA GLU 42 HA GLU 42 -9.882 -4.515 4.742
317 HB2 GLU 42 2HB GLU 42 -10.666 -4.938 7.050
318 HB3 GLU 42 1HB GLU 42 -11.628 -6.299 6.473
319 HG2 GLU 42 2HG GLU 42 -9.610 -7.452 5.721
320 HG3 GLU 42 1HG GLU 42 -8.618 -6.069 6.190
321 H CYS 43 H CYS 43 -9.106 -5.762 3.106
322 HA CYS 43 HA CYS 43 -10.856 -7.236 1.381
323 HB2 CYS 43 2HB CYS 43 -9.091 -6.824 0.074
324 HB3 CYS 43 1HB CYS 43 -8.071 -6.513 1.464
325 HXT CYS 43 2HT CYS 43 -9.266 -8.017 4.125
Start of MODEL 19
1 H1 CYS 1 1H CYS 1 5.398 -10.484 0.038
2 H2 CYS 1 2H CYS 1 3.777 -10.780 0.366
3 H3 CYS 1 3H CYS 1 4.372 -10.995 -1.192
4 HA CYS 1 HA CYS 1 4.811 -8.634 -1.396
5 HB2 CYS 1 2HB CYS 1 2.306 -7.935 -1.049
6 HB3 CYS 1 1HB CYS 1 2.697 -9.135 -2.272
7 H GLY 2 H GLY 2 4.281 -6.442 -0.426
8 HA2 GLY 2 2HA GLY 2 5.358 -6.214 2.181
9 HA3 GLY 2 1HA GLY 2 4.478 -4.933 1.358
10 H SER 3 H SER 3 2.232 -4.716 1.747
11 HA SER 3 HA SER 3 0.144 -5.124 2.831
12 HB2 SER 3 2HB SER 3 1.136 -7.572 3.126
13 HB3 SER 3 1HB SER 3 1.375 -7.035 4.782
14 HG SER 3 HG SER 3 -0.891 -7.775 3.540
15 H LYS 4 H LYS 4 -0.456 -5.209 5.411
16 HA LYS 4 HA LYS 4 0.087 -2.732 6.476
17 HB2 LYS 4 2HB LYS 4 -1.619 -4.056 7.441
18 HB3 LYS 4 1HB LYS 4 -0.516 -5.375 7.803
19 HG2 LYS 4 2HG LYS 4 0.545 -4.080 9.532
20 HG3 LYS 4 1HG LYS 4 -0.382 -2.641 9.093
21 HD2 LYS 4 2HD LYS 4 -2.461 -3.766 9.717
22 HD3 LYS 4 1HD LYS 4 -1.575 -5.252 10.067
23 HE2 LYS 4 2HE LYS 4 -0.214 -3.878 11.748
24 HE3 LYS 4 1HE LYS 4 -1.428 -2.615 11.537
25 HZ1 LYS 4 3HZ LYS 4 -1.608 -5.110 12.956
26 HZ2 LYS 4 1HZ LYS 4 -2.924 -4.838 11.922
27 HZ3 LYS 4 2HZ LYS 4 -2.539 -3.699 13.123
28 H ARG 5 H ARG 5 1.873 -1.726 7.258
29 HA ARG 5 HA ARG 5 4.149 -1.426 7.777
30 HB2 ARG 5 2HB ARG 5 4.297 -3.819 9.515
31 HB3 ARG 5 1HB ARG 5 4.626 -2.134 9.898
32 HG2 ARG 5 2HG ARG 5 1.781 -2.779 9.422
33 HG3 ARG 5 1HG ARG 5 2.473 -3.518 10.850
34 HD2 ARG 5 2HD ARG 5 3.364 -1.113 11.332
35 HD3 ARG 5 1HD ARG 5 2.124 -0.610 10.180
36 HE ARG 5 HE ARG 5 0.557 -2.050 11.731
37 HH11 ARG 5 1HH2 ARG 5 3.302 -0.173 12.663
38 HH12 ARG 5 2HH2 ARG 5 2.729 0.099 14.275
39 HH21 ARG 5 2HH1 ARG 5 -0.177 -1.736 13.842
40 HH22 ARG 5 1HH1 ARG 5 0.760 -0.784 14.942
41 H ALA 6 H ALA 6 4.736 -2.089 5.589
42 HA ALA 6 HA ALA 6 6.658 -4.229 5.504
43 HB1 ALA 6 1HB ALA 6 4.147 -4.802 3.942
44 HB2 ALA 6 2HB ALA 6 4.368 -5.434 5.574
45 HB3 ALA 6 3HB ALA 6 5.486 -5.896 4.294
46 H TRP 7 H TRP 7 8.015 -3.645 3.935
47 HA TRP 7 HA TRP 7 7.708 -1.476 2.205
48 HB2 TRP 7 2HB TRP 7 9.885 -2.274 2.626
49 HB3 TRP 7 1HB TRP 7 9.463 -3.917 2.149
50 HD1 TRP 7 HD TRP 7 9.734 -0.416 0.522
51 HE1 TRP 7 1HE TRP 7 10.567 -0.732 -1.900
52 HE3 TRP 7 3HE TRP 7 9.898 -5.512 0.308
53 HZ2 TRP 7 2HZ TRP 7 11.221 -2.871 -3.691
54 HZ3 TRP 7 3HZ TRP 7 10.631 -6.665 -1.758
55 HH2 TRP 7 HH TRP 7 11.292 -5.354 -3.757
56 H CYS 8 H CYS 8 6.955 -1.166 0.161
57 HA CYS 8 HA CYS 8 5.773 -3.537 -1.282
58 HB2 CYS 8 2HB CYS 8 3.863 -2.317 -0.624
59 HB3 CYS 8 1HB CYS 8 4.690 -0.769 -0.752
60 H LYS 9 H LYS 9 5.532 -2.933 -3.747
61 HA LYS 9 HA LYS 9 7.834 -1.191 -4.560
62 HB2 LYS 9 2HB LYS 9 8.279 -3.649 -4.974
63 HB3 LYS 9 1HB LYS 9 6.901 -3.647 -6.079
64 HG2 LYS 9 2HG LYS 9 8.830 -3.263 -7.448
65 HG3 LYS 9 1HG LYS 9 8.030 -1.701 -7.285
66 HD2 LYS 9 2HD LYS 9 9.758 -1.826 -5.074
67 HD3 LYS 9 1HD LYS 9 10.695 -2.524 -6.386
68 HE2 LYS 9 2HE LYS 9 11.015 -0.488 -7.324
69 HE3 LYS 9 1HE LYS 9 9.295 -0.117 -7.272
70 HZ1 LYS 9 3HZ LYS 9 10.578 1.415 -5.915
71 HZ2 LYS 9 1HZ LYS 9 11.178 0.123 -4.991
72 HZ3 LYS 9 2HZ LYS 9 9.520 0.494 -4.955
73 H GLU 10 H GLU 10 4.638 -2.425 -5.281
74 HA GLU 10 HA GLU 10 3.987 0.100 -6.662
75 HB2 GLU 10 2HB GLU 10 3.465 -2.590 -7.956
76 HB3 GLU 10 1HB GLU 10 2.961 -1.026 -8.579
77 HG2 GLU 10 2HG GLU 10 5.350 -0.338 -8.738
78 HG3 GLU 10 1HG GLU 10 5.826 -1.955 -8.207
79 H LYS 11 H LYS 11 1.516 0.067 -7.050
80 HA LYS 11 HA LYS 11 0.221 -0.514 -4.588
81 HB2 LYS 11 2HB LYS 11 -0.652 1.150 -6.165
82 HB3 LYS 11 1HB LYS 11 -0.966 -0.110 -7.353
83 HG2 LYS 11 2HG LYS 11 -3.045 0.463 -6.220
84 HG3 LYS 11 1HG LYS 11 -2.567 -1.169 -5.767
85 HD2 LYS 11 2HD LYS 11 -2.469 -0.599 -3.588
86 HD3 LYS 11 1HD LYS 11 -1.387 0.751 -3.933
87 HE2 LYS 11 2HE LYS 11 -4.395 0.842 -4.305
88 HE3 LYS 11 1HE LYS 11 -3.551 1.465 -2.887
89 HZ1 LYS 11 3HZ LYS 11 -2.241 2.484 -5.100
90 HZ2 LYS 11 1HZ LYS 11 -3.214 3.333 -4.003
91 HZ3 LYS 11 2HZ LYS 11 -3.899 2.679 -5.414
92 H LYS 12 H LYS 12 0.898 -2.459 -7.356
93 HA LYS 12 HA LYS 12 -0.992 -4.577 -6.530
94 HB2 LYS 12 2HB LYS 12 -0.851 -4.142 -8.902
95 HB3 LYS 12 1HB LYS 12 0.903 -4.334 -8.878
96 HG2 LYS 12 2HG LYS 12 0.684 -6.684 -8.270
97 HG3 LYS 12 1HG LYS 12 -1.066 -6.514 -8.128
98 HD2 LYS 12 2HD LYS 12 -1.296 -6.104 -10.487
99 HD3 LYS 12 1HD LYS 12 0.451 -5.965 -10.691
100 HE2 LYS 12 2HE LYS 12 -0.990 -8.479 -9.788
101 HE3 LYS 12 1HE LYS 12 -0.395 -8.186 -11.423
102 HZ1 LYS 12 3HZ LYS 12 1.602 -8.850 -10.787
103 HZ2 LYS 12 1HZ LYS 12 1.025 -9.156 -9.221
104 HZ3 LYS 12 2HZ LYS 12 1.663 -7.628 -9.608
105 H ASP 13 H ASP 13 2.506 -3.964 -6.601
106 HA ASP 13 HA ASP 13 3.354 -6.634 -6.062
107 HB2 ASP 13 2HB ASP 13 4.520 -3.971 -6.124
108 HB3 ASP 13 1HB ASP 13 5.220 -4.951 -4.845
109 H CYS 14 H CYS 14 1.551 -4.592 -4.135
110 HA CYS 14 HA CYS 14 2.624 -5.632 -1.578
111 HB2 CYS 14 2HB CYS 14 2.083 -3.319 -1.528
112 HB3 CYS 14 1HB CYS 14 0.527 -3.572 -2.290
113 H CYS 15 H CYS 15 1.049 -6.661 -0.036
114 HA CYS 15 HA CYS 15 -0.275 -8.827 -1.210
115 HB2 CYS 15 2HB CYS 15 -0.675 -7.510 1.490
116 HB3 CYS 15 1HB CYS 15 -1.340 -9.058 1.026
117 H CYS 16 H CYS 16 -2.373 -9.152 -1.877
118 HA CYS 16 HA CYS 16 -3.839 -6.946 -2.820
119 HB2 CYS 16 2HB CYS 16 -4.262 -9.841 -2.510
120 HB3 CYS 16 1HB CYS 16 -5.741 -8.900 -2.526
121 H GLY 17 H GLY 17 -5.189 -5.542 -1.828
122 HA2 GLY 17 2HA GLY 17 -7.006 -5.057 -0.267
123 HA3 GLY 17 1HA GLY 17 -6.381 -6.316 0.799
124 H TYR 18 H TYR 18 -3.643 -4.821 -0.271
125 HA TYR 18 HA TYR 18 -3.780 -2.812 2.016
126 HB2 TYR 18 2HB TYR 18 -1.471 -4.494 1.021
127 HB3 TYR 18 1HB TYR 18 -1.304 -3.204 2.212
128 HD1 TYR 18 1HD TYR 18 -2.699 -6.528 1.513
129 HD2 TYR 18 2HD TYR 18 -2.186 -3.455 4.457
130 HE1 TYR 18 1HE TYR 18 -3.467 -8.101 3.281
131 HE2 TYR 18 2HE TYR 18 -2.960 -5.020 6.226
132 HH TYR 18 HH TYR 18 -3.705 -7.048 6.688
133 H ASN 19 H ASN 19 -3.027 -0.739 1.580
134 HA ASN 19 HA ASN 19 -2.642 -0.095 -1.285
135 HB2 ASN 19 2HB ASN 19 -3.163 2.120 -0.725
136 HB3 ASN 19 1HB ASN 19 -4.117 1.219 0.452
137 HD21 ASN 19 1HD2 ASN 19 -2.579 3.968 0.493
138 HD22 ASN 19 2HD2 ASN 19 -1.742 3.902 1.966
139 H CYS 20 H CYS 20 -0.724 0.808 -2.098
140 HA CYS 20 HA CYS 20 1.666 0.295 -0.492
141 HB2 CYS 20 2HB CYS 20 1.061 0.865 -3.361
142 HB3 CYS 20 1HB CYS 20 2.692 1.009 -2.774
143 H VAL 21 H VAL 21 2.998 1.839 0.316
144 HA VAL 21 HA VAL 21 2.349 4.704 -0.283
145 HB VAL 21 HB VAL 21 3.303 3.369 2.268
146 HG11 VAL 21 1HG1 VAL 21 4.590 5.499 1.725
147 HG12 VAL 21 2HG1 VAL 21 3.679 5.537 3.231
148 HG13 VAL 21 3HG1 VAL 21 3.047 6.353 1.799
149 HG21 VAL 21 3HG2 VAL 21 1.063 5.357 2.022
150 HG22 VAL 21 1HG2 VAL 21 1.255 4.027 3.163
151 HG23 VAL 21 2HG2 VAL 21 0.791 3.695 1.495
152 H TYR 22 H TYR 22 3.865 5.156 -1.873
153 HA TYR 22 HA TYR 22 6.582 4.032 -1.736
154 HB2 TYR 22 2HB TYR 22 5.602 4.601 -3.883
155 HB3 TYR 22 1HB TYR 22 5.354 6.267 -3.373
156 HD1 TYR 22 2HD TYR 22 8.337 4.022 -2.956
157 HD2 TYR 22 1HD TYR 22 6.724 7.589 -4.726
158 HE1 TYR 22 2HE TYR 22 10.588 4.626 -3.792
159 HE2 TYR 22 1HE TYR 22 8.977 8.191 -5.562
160 HH TYR 22 HH TYR 22 11.695 5.972 -5.274
161 H ALA 23 H ALA 23 8.045 4.704 -0.227
162 HA ALA 23 HA ALA 23 7.804 7.452 0.865
163 HB1 ALA 23 1HB ALA 23 8.176 5.245 2.246
164 HB2 ALA 23 2HB ALA 23 9.016 6.725 2.710
165 HB3 ALA 23 3HB ALA 23 9.866 5.480 1.797
166 H TRP 24 H TRP 24 8.636 8.642 -0.911
167 HA TRP 24 HA TRP 24 11.026 8.185 -2.316
168 HB2 TRP 24 2HB TRP 24 11.116 10.726 -2.498
169 HB3 TRP 24 1HB TRP 24 9.620 9.968 -3.037
170 HD1 TRP 24 HD TRP 24 9.591 9.808 0.615
171 HE1 TRP 24 1HE TRP 24 8.191 11.715 1.622
172 HE3 TRP 24 3HE TRP 24 9.150 12.838 -3.476
173 HZ2 TRP 24 2HZ TRP 24 7.036 14.197 0.810
174 HZ3 TRP 24 3HZ TRP 24 7.894 14.968 -3.327
175 HH2 TRP 24 HH TRP 24 6.838 15.651 -1.191
176 H TYR 25 H TYR 25 10.719 8.421 0.998
177 HA TYR 25 HA TYR 25 12.924 10.136 1.741
178 HB2 TYR 25 2HB TYR 25 11.170 8.221 2.985
179 HB3 TYR 25 1HB TYR 25 12.818 7.905 3.518
180 HD1 TYR 25 2HD TYR 25 10.332 10.655 3.081
181 HD2 TYR 25 1HD TYR 25 13.824 9.267 5.159
182 HE1 TYR 25 2HE TYR 25 10.210 12.615 4.596
183 HE2 TYR 25 1HE TYR 25 13.703 11.223 6.677
184 HH TYR 25 HH TYR 25 11.794 12.811 7.481
185 H ASN 26 H ASN 26 12.884 6.611 1.135
186 HA ASN 26 HA ASN 26 15.677 6.791 0.217
187 HB2 ASN 26 2HB ASN 26 16.187 4.746 1.766
188 HB3 ASN 26 1HB ASN 26 16.238 6.371 2.450
189 HD21 ASN 26 1HD2 ASN 26 14.418 7.058 3.811
190 HD22 ASN 26 2HD2 ASN 26 13.346 5.917 4.469
191 H GLN 27 H GLN 27 13.448 6.277 -1.300
192 HA GLN 27 HA GLN 27 12.505 4.717 -2.765
193 HB2 GLN 27 2HB GLN 27 15.194 3.409 -2.277
194 HB3 GLN 27 1HB GLN 27 14.088 2.980 -3.583
195 HG2 GLN 27 2HG GLN 27 15.287 5.733 -3.148
196 HG3 GLN 27 1HG GLN 27 15.833 4.566 -4.352
197 HE21 GLN 27 1HE2 GLN 27 14.274 7.332 -4.416
198 HE22 GLN 27 2HE2 GLN 27 13.035 7.020 -5.532
199 H GLN 28 H GLN 28 11.789 4.363 0.030
200 HA GLN 28 HA GLN 28 11.478 1.378 0.083
201 HB2 GLN 28 2HB GLN 28 12.870 2.326 1.947
202 HB3 GLN 28 1HB GLN 28 11.472 3.274 2.450
203 HG2 GLN 28 2HG GLN 28 10.177 1.105 2.626
204 HG3 GLN 28 1HG GLN 28 11.700 0.256 2.361
205 HE21 GLN 28 1HE2 GLN 28 13.287 2.301 3.876
206 HE22 GLN 28 2HE2 GLN 28 12.922 2.041 5.515
207 H SER 29 H SER 29 9.407 0.897 -0.497
208 HA SER 29 HA SER 29 7.253 2.850 0.083
209 HB2 SER 29 2HB SER 29 7.074 0.242 -1.414
210 HB3 SER 29 1HB SER 29 5.886 1.530 -1.407
211 HG SER 29 HG SER 29 6.998 2.483 -2.906
212 H SER 30 H SER 30 5.104 1.713 0.833
213 HA SER 30 HA SER 30 5.600 -0.546 2.615
214 HB2 SER 30 2HB SER 30 5.865 1.803 3.769
215 HB3 SER 30 1HB SER 30 4.104 1.775 3.747
216 HG SER 30 HG SER 30 4.107 0.193 5.165
217 H CYS 31 H CYS 31 3.108 -0.315 3.955
218 HA CYS 31 HA CYS 31 0.992 -0.079 1.983
219 HB2 CYS 31 2HB CYS 31 2.369 -2.501 1.943
220 HB3 CYS 31 1HB CYS 31 0.937 -2.849 2.895
221 H GLU 32 H GLU 32 -0.985 0.110 2.943
222 HA GLU 32 HA GLU 32 -1.388 -0.904 5.694
223 HB2 GLU 32 2HB GLU 32 -1.560 1.115 6.739
224 HB3 GLU 32 1HB GLU 32 -0.527 1.657 5.418
225 HG2 GLU 32 2HG GLU 32 -2.462 2.389 4.143
226 HG3 GLU 32 1HG GLU 32 -3.548 1.729 5.363
227 H ARG 33 H ARG 33 -3.580 -1.359 6.141
228 HA ARG 33 HA ARG 33 -5.253 -1.960 3.946
229 HB2 ARG 33 2HB ARG 33 -7.018 -2.388 5.539
230 HB3 ARG 33 1HB ARG 33 -5.495 -2.952 6.221
231 HG2 ARG 33 2HG ARG 33 -5.683 -1.543 7.975
232 HG3 ARG 33 1HG ARG 33 -5.953 -0.166 6.921
233 HD2 ARG 33 2HD ARG 33 -7.887 -0.561 8.423
234 HD3 ARG 33 1HD ARG 33 -8.335 -0.753 6.728
235 HE ARG 33 HE ARG 33 -8.737 -3.035 7.156
236 HH11 ARG 33 1HH2 ARG 33 -6.806 -1.568 9.603
237 HH12 ARG 33 2HH2 ARG 33 -6.821 -2.958 10.638
238 HH21 ARG 33 2HH1 ARG 33 -8.779 -4.858 8.492
239 HH22 ARG 33 1HH1 ARG 33 -7.937 -4.825 10.050
240 H LYS 34 H LYS 34 -6.063 -0.492 2.560
241 HA LYS 34 HA LYS 34 -7.846 1.555 3.544
242 HB2 LYS 34 2HB LYS 34 -5.299 2.255 2.067
243 HB3 LYS 34 1HB LYS 34 -6.691 3.328 2.073
244 HG2 LYS 34 2HG LYS 34 -5.787 2.365 4.744
245 HG3 LYS 34 1HG LYS 34 -4.690 3.451 3.923
246 HD2 LYS 34 2HD LYS 34 -6.011 4.993 5.027
247 HD3 LYS 34 1HD LYS 34 -6.914 4.859 3.523
248 HE2 LYS 34 2HE LYS 34 -8.241 4.686 5.729
249 HE3 LYS 34 1HE LYS 34 -8.557 3.464 4.501
250 HZ1 LYS 34 3HZ LYS 34 -8.184 2.653 6.852
251 HZ2 LYS 34 1HZ LYS 34 -6.553 3.069 6.644
252 HZ3 LYS 34 2HZ LYS 34 -7.265 1.896 5.641
253 H TRP 35 H TRP 35 -8.669 -0.575 2.289
254 HA TRP 35 HA TRP 35 -8.876 0.131 -0.618
255 HB2 TRP 35 2HB TRP 35 -8.983 -2.508 0.833
256 HB3 TRP 35 1HB TRP 35 -9.581 -2.331 -0.817
257 HD1 TRP 35 HD TRP 35 -6.365 -1.655 1.204
258 HE1 TRP 35 1HE TRP 35 -4.358 -1.983 -0.375
259 HE3 TRP 35 3HE TRP 35 -8.819 -2.588 -3.165
260 HZ2 TRP 35 2HZ TRP 35 -3.853 -2.570 -3.132
261 HZ3 TRP 35 3HZ TRP 35 -7.562 -3.030 -5.251
262 HH2 TRP 35 HH TRP 35 -5.081 -3.024 -5.241
263 H LYS 36 H LYS 36 -10.672 -0.077 2.253
264 HA LYS 36 HA LYS 36 -13.002 -0.219 2.663
265 HB2 LYS 36 2HB LYS 36 -13.867 1.793 2.057
266 HB3 LYS 36 1HB LYS 36 -12.271 2.089 1.381
267 HG2 LYS 36 2HG LYS 36 -13.158 1.054 -0.793
268 HG3 LYS 36 1HG LYS 36 -14.760 1.171 -0.066
269 HD2 LYS 36 2HD LYS 36 -13.891 3.674 0.432
270 HD3 LYS 36 1HD LYS 36 -12.939 3.336 -1.012
271 HE2 LYS 36 2HE LYS 36 -14.744 3.675 -2.321
272 HE3 LYS 36 1HE LYS 36 -15.662 2.458 -1.440
273 HZ1 LYS 36 3HZ LYS 36 -16.642 3.997 -0.142
274 HZ2 LYS 36 1HZ LYS 36 -16.307 5.022 -1.452
275 HZ3 LYS 36 2HZ LYS 36 -15.279 5.012 -0.100
276 H TYR 37 H TYR 37 -11.772 -1.986 0.290
277 HA TYR 37 HA TYR 37 -14.460 -2.577 -0.993
278 HB2 TYR 37 2HB TYR 37 -11.642 -3.325 -1.828
279 HB3 TYR 37 1HB TYR 37 -13.097 -3.921 -2.624
280 HD1 TYR 37 1HD TYR 37 -14.843 -2.033 -3.307
281 HD2 TYR 37 2HD TYR 37 -10.651 -1.380 -2.648
282 HE1 TYR 37 1HE TYR 37 -14.951 0.038 -4.668
283 HE2 TYR 37 2HE TYR 37 -10.759 0.690 -4.004
284 HH TYR 37 HH TYR 37 -13.818 1.750 -5.499
285 H LEU 38 H LEU 38 -14.236 -3.409 1.611
286 HA LEU 38 HA LEU 38 -13.136 -5.978 2.009
287 HB2 LEU 38 2HB LEU 38 -13.856 -4.544 3.876
288 HB3 LEU 38 1HB LEU 38 -15.531 -4.708 3.357
289 HG LEU 38 HG LEU 38 -15.456 -7.123 3.766
290 HD11 LEU 38 1HD1 LEU 38 -12.548 -6.522 4.258
291 HD12 LEU 38 2HD1 LEU 38 -13.266 -7.824 3.308
292 HD13 LEU 38 3HD1 LEU 38 -13.308 -7.890 5.070
293 HD21 LEU 38 3HD2 LEU 38 -16.011 -5.592 5.645
294 HD22 LEU 38 1HD2 LEU 38 -14.308 -5.556 6.098
295 HD23 LEU 38 2HD2 LEU 38 -15.217 -7.062 6.211
296 H PHE 39 H PHE 39 -16.184 -4.902 0.667
297 HA PHE 39 HA PHE 39 -17.648 -7.292 0.706
298 HB2 PHE 39 2HB PHE 39 -18.651 -5.211 -0.030
299 HB3 PHE 39 1HB PHE 39 -17.540 -5.124 -1.395
300 HD1 PHE 39 1HD PHE 39 -20.303 -7.147 0.090
301 HD2 PHE 39 2HD PHE 39 -18.015 -6.237 -3.431
302 HE1 PHE 39 1HE PHE 39 -21.882 -8.477 -1.281
303 HE2 PHE 39 2HE PHE 39 -19.595 -7.568 -4.802
304 HZ PHE 39 HZ PHE 39 -21.529 -8.689 -3.727
305 H THR 40 H THR 40 -15.291 -6.183 -1.651
306 HA THR 40 HA THR 40 -15.429 -8.650 -3.216
307 HB THR 40 HB THR 40 -13.198 -6.600 -3.267
308 HG1 THR 40 1HG THR 40 -14.699 -5.950 -5.152
309 HG21 THR 40 3HG2 THR 40 -14.334 -8.547 -5.294
310 HG22 THR 40 1HG2 THR 40 -12.750 -8.637 -4.522
311 HG23 THR 40 2HG2 THR 40 -13.104 -7.335 -5.658
312 H GLY 41 H GLY 41 -13.492 -10.123 -3.408
313 HA2 GLY 41 2HA GLY 41 -12.072 -10.318 -0.773
314 HA3 GLY 41 1HA GLY 41 -12.580 -11.725 -1.702
315 H GLU 42 H GLU 42 -11.420 -9.265 -3.735
316 HA GLU 42 HA GLU 42 -8.633 -10.307 -3.614
317 HB2 GLU 42 2HB GLU 42 -8.533 -10.870 -5.894
318 HB3 GLU 42 1HB GLU 42 -10.113 -11.480 -5.409
319 HG2 GLU 42 2HG GLU 42 -11.228 -9.554 -6.348
320 HG3 GLU 42 1HG GLU 42 -9.687 -8.751 -6.664
321 H CYS 43 H CYS 43 -7.378 -8.936 -5.466
322 HA CYS 43 HA CYS 43 -8.314 -6.119 -5.399
323 HB2 CYS 43 2HB CYS 43 -6.500 -5.304 -4.228
324 HB3 CYS 43 1HB CYS 43 -6.622 -6.892 -3.472
325 HXT CYS 43 2HT CYS 43 -5.231 -5.936 -7.207
Start of MODEL 20
1 H1 CYS 1 1H CYS 1 5.609 -10.060 -0.889
2 H2 CYS 1 2H CYS 1 4.425 -10.920 -0.119
3 H3 CYS 1 3H CYS 1 4.525 -10.917 -1.797
4 HA CYS 1 HA CYS 1 3.932 -8.580 -1.866
5 HB2 CYS 1 2HB CYS 1 1.615 -8.865 -1.309
6 HB3 CYS 1 1HB CYS 1 2.184 -10.430 -1.870
7 H GLY 2 H GLY 2 4.075 -6.648 -0.752
8 HA2 GLY 2 2HA GLY 2 4.676 -6.791 2.134
9 HA3 GLY 2 1HA GLY 2 4.790 -5.354 1.119
10 H SER 3 H SER 3 2.963 -6.793 3.537
11 HA SER 3 HA SER 3 0.421 -5.468 2.735
12 HB2 SER 3 2HB SER 3 1.193 -7.447 4.871
13 HB3 SER 3 1HB SER 3 -0.267 -6.486 5.071
14 HG SER 3 HG SER 3 0.385 -8.386 3.103
15 H LYS 4 H LYS 4 -0.410 -4.750 5.439
16 HA LYS 4 HA LYS 4 0.547 -2.148 5.643
17 HB2 LYS 4 2HB LYS 4 -1.338 -3.185 7.002
18 HB3 LYS 4 1HB LYS 4 -0.105 -3.833 8.076
19 HG2 LYS 4 2HG LYS 4 0.308 -0.989 7.547
20 HG3 LYS 4 1HG LYS 4 -1.283 -1.295 8.238
21 HD2 LYS 4 2HD LYS 4 -0.371 -2.295 10.178
22 HD3 LYS 4 1HD LYS 4 1.216 -2.501 9.430
23 HE2 LYS 4 2HE LYS 4 1.329 0.041 9.259
24 HE3 LYS 4 1HE LYS 4 -0.098 0.088 10.295
25 HZ1 LYS 4 3HZ LYS 4 2.554 -0.156 11.067
26 HZ2 LYS 4 1HZ LYS 4 1.828 -1.652 11.395
27 HZ3 LYS 4 2HZ LYS 4 1.176 -0.232 12.057
28 H ARG 5 H ARG 5 2.295 -1.164 6.794
29 HA ARG 5 HA ARG 5 4.604 -1.108 7.197
30 HB2 ARG 5 2HB ARG 5 5.108 -1.806 9.381
31 HB3 ARG 5 1HB ARG 5 3.369 -1.562 9.430
32 HG2 ARG 5 2HG ARG 5 3.162 -4.073 8.935
33 HG3 ARG 5 1HG ARG 5 4.881 -4.173 9.304
34 HD2 ARG 5 2HD ARG 5 2.778 -3.047 11.166
35 HD3 ARG 5 1HD ARG 5 3.478 -4.659 11.289
36 HE ARG 5 HE ARG 5 4.815 -2.133 11.987
37 HH11 ARG 5 1HH2 ARG 5 5.043 -5.493 11.218
38 HH12 ARG 5 2HH2 ARG 5 6.561 -5.707 12.023
39 HH21 ARG 5 2HH1 ARG 5 6.794 -2.399 13.035
40 HH22 ARG 5 1HH1 ARG 5 7.552 -3.955 13.050
41 H ALA 6 H ALA 6 5.095 -2.072 5.143
42 HA ALA 6 HA ALA 6 6.957 -4.234 5.275
43 HB1 ALA 6 1HB ALA 6 4.921 -5.634 5.540
44 HB2 ALA 6 2HB ALA 6 5.737 -5.965 4.016
45 HB3 ALA 6 3HB ALA 6 4.284 -4.971 4.037
46 H TRP 7 H TRP 7 8.304 -3.821 3.624
47 HA TRP 7 HA TRP 7 8.085 -1.820 1.756
48 HB2 TRP 7 2HB TRP 7 10.166 -3.004 2.174
49 HB3 TRP 7 1HB TRP 7 9.520 -4.455 1.406
50 HD1 TRP 7 HD TRP 7 10.361 -0.786 0.530
51 HE1 TRP 7 1HE TRP 7 10.962 -0.680 -1.978
52 HE3 TRP 7 3HE TRP 7 9.452 -5.631 -0.799
53 HZ2 TRP 7 2HZ TRP 7 11.036 -2.433 -4.251
54 HZ3 TRP 7 3HZ TRP 7 9.802 -6.385 -3.132
55 HH2 TRP 7 HH TRP 7 10.601 -4.795 -4.855
56 H CYS 8 H CYS 8 7.092 -1.470 -0.155
57 HA CYS 8 HA CYS 8 5.687 -3.776 -1.514
58 HB2 CYS 8 2HB CYS 8 3.817 -2.579 -0.806
59 HB3 CYS 8 1HB CYS 8 4.700 -1.062 -0.691
60 H LYS 9 H LYS 9 6.106 -3.918 -3.694
61 HA LYS 9 HA LYS 9 8.144 -2.126 -4.835
62 HB2 LYS 9 2HB LYS 9 8.410 -4.423 -5.407
63 HB3 LYS 9 1HB LYS 9 6.719 -4.603 -5.778
64 HG2 LYS 9 2HG LYS 9 6.984 -3.130 -7.749
65 HG3 LYS 9 1HG LYS 9 8.705 -2.990 -7.384
66 HD2 LYS 9 2HD LYS 9 8.948 -5.442 -7.629
67 HD3 LYS 9 1HD LYS 9 7.228 -5.575 -7.994
68 HE2 LYS 9 2HE LYS 9 8.849 -3.666 -9.635
69 HE3 LYS 9 1HE LYS 9 9.044 -5.392 -9.946
70 HZ1 LYS 9 3HZ LYS 9 7.181 -4.015 -11.133
71 HZ2 LYS 9 1HZ LYS 9 6.327 -4.318 -9.698
72 HZ3 LYS 9 2HZ LYS 9 6.898 -5.615 -10.636
73 H GLU 10 H GLU 10 4.742 -2.924 -5.318
74 HA GLU 10 HA GLU 10 4.217 -0.258 -6.381
75 HB2 GLU 10 2HB GLU 10 4.828 -1.271 -8.463
76 HB3 GLU 10 1HB GLU 10 3.863 -2.703 -8.135
77 HG2 GLU 10 2HG GLU 10 1.826 -1.442 -8.348
78 HG3 GLU 10 1HG GLU 10 2.706 0.084 -8.397
79 H LYS 11 H LYS 11 1.733 -0.342 -7.072
80 HA LYS 11 HA LYS 11 0.309 -0.948 -4.674
81 HB2 LYS 11 2HB LYS 11 -0.500 0.653 -6.429
82 HB3 LYS 11 1HB LYS 11 -0.879 -0.727 -7.462
83 HG2 LYS 11 2HG LYS 11 -2.438 -1.597 -5.783
84 HG3 LYS 11 1HG LYS 11 -2.015 -0.288 -4.684
85 HD2 LYS 11 2HD LYS 11 -3.791 0.803 -5.594
86 HD3 LYS 11 1HD LYS 11 -2.726 1.098 -6.968
87 HE2 LYS 11 2HE LYS 11 -4.784 -1.091 -6.641
88 HE3 LYS 11 1HE LYS 11 -4.693 0.138 -7.902
89 HZ1 LYS 11 3HZ LYS 11 -2.520 -1.823 -7.516
90 HZ2 LYS 11 1HZ LYS 11 -2.882 -0.903 -8.892
91 HZ3 LYS 11 2HZ LYS 11 -3.884 -2.203 -8.452
92 H LYS 12 H LYS 12 0.587 -2.762 -7.724
93 HA LYS 12 HA LYS 12 -1.118 -4.917 -6.867
94 HB2 LYS 12 2HB LYS 12 -0.253 -4.202 -9.271
95 HB3 LYS 12 1HB LYS 12 1.047 -5.334 -8.908
96 HG2 LYS 12 2HG LYS 12 -1.793 -6.205 -8.438
97 HG3 LYS 12 1HG LYS 12 -1.181 -6.167 -10.087
98 HD2 LYS 12 2HD LYS 12 0.375 -7.845 -9.707
99 HD3 LYS 12 1HD LYS 12 0.497 -7.492 -7.986
100 HE2 LYS 12 2HE LYS 12 -2.151 -8.439 -8.990
101 HE3 LYS 12 1HE LYS 12 -0.849 -9.625 -8.891
102 HZ1 LYS 12 3HZ LYS 12 -2.195 -9.420 -6.835
103 HZ2 LYS 12 1HZ LYS 12 -1.625 -7.833 -6.658
104 HZ3 LYS 12 2HZ LYS 12 -0.537 -9.135 -6.598
105 H ASP 13 H ASP 13 2.410 -4.413 -6.688
106 HA ASP 13 HA ASP 13 3.127 -7.056 -5.923
107 HB2 ASP 13 2HB ASP 13 4.629 -4.947 -6.420
108 HB3 ASP 13 1HB ASP 13 4.525 -4.708 -4.686
109 H CYS 14 H CYS 14 1.558 -4.543 -4.098
110 HA CYS 14 HA CYS 14 2.231 -5.702 -1.504
111 HB2 CYS 14 2HB CYS 14 1.803 -3.366 -1.575
112 HB3 CYS 14 1HB CYS 14 0.275 -3.580 -2.414
113 H CYS 15 H CYS 15 0.914 -7.036 -0.259
114 HA CYS 15 HA CYS 15 -0.658 -8.933 -1.552
115 HB2 CYS 15 2HB CYS 15 -0.014 -8.227 1.172
116 HB3 CYS 15 1HB CYS 15 -1.699 -8.718 1.064
117 H CYS 16 H CYS 16 -2.541 -8.799 -2.530
118 HA CYS 16 HA CYS 16 -4.133 -6.621 -2.945
119 HB2 CYS 16 2HB CYS 16 -4.372 -9.210 -3.603
120 HB3 CYS 16 1HB CYS 16 -5.612 -9.143 -2.359
121 H GLY 17 H GLY 17 -5.634 -5.418 -1.803
122 HA2 GLY 17 2HA GLY 17 -7.270 -5.111 -0.032
123 HA3 GLY 17 1HA GLY 17 -6.475 -6.385 0.888
124 H TYR 18 H TYR 18 -3.830 -4.910 -0.115
125 HA TYR 18 HA TYR 18 -3.927 -2.920 2.180
126 HB2 TYR 18 2HB TYR 18 -1.720 -4.628 1.065
127 HB3 TYR 18 1HB TYR 18 -1.387 -3.252 2.112
128 HD1 TYR 18 1HD TYR 18 -2.216 -3.203 4.414
129 HD2 TYR 18 2HD TYR 18 -2.733 -6.638 1.902
130 HE1 TYR 18 1HE TYR 18 -2.779 -4.572 6.408
131 HE2 TYR 18 2HE TYR 18 -3.289 -8.018 3.896
132 HH TYR 18 HH TYR 18 -2.973 -8.003 6.286
133 H ASN 19 H ASN 19 -2.927 -0.868 1.895
134 HA ASN 19 HA ASN 19 -2.875 0.026 -0.948
135 HB2 ASN 19 2HB ASN 19 -4.267 1.405 0.379
136 HB3 ASN 19 1HB ASN 19 -3.131 1.413 1.722
137 HD21 ASN 19 1HD2 ASN 19 -1.806 3.223 1.855
138 HD22 ASN 19 2HD2 ASN 19 -1.531 4.318 0.596
139 H CYS 20 H CYS 20 -0.951 0.614 -1.945
140 HA CYS 20 HA CYS 20 1.547 0.284 -0.454
141 HB2 CYS 20 2HB CYS 20 0.746 0.633 -3.304
142 HB3 CYS 20 1HB CYS 20 2.384 0.985 -2.860
143 H VAL 21 H VAL 21 2.995 1.944 0.020
144 HA VAL 21 HA VAL 21 2.212 4.711 -0.793
145 HB VAL 21 HB VAL 21 1.686 3.822 1.713
146 HG11 VAL 21 1HG1 VAL 21 4.296 3.473 1.891
147 HG12 VAL 21 2HG1 VAL 21 3.400 4.123 3.252
148 HG13 VAL 21 3HG1 VAL 21 4.305 5.207 2.193
149 HG21 VAL 21 3HG2 VAL 21 2.534 6.516 0.685
150 HG22 VAL 21 1HG2 VAL 21 2.148 6.317 2.396
151 HG23 VAL 21 2HG2 VAL 21 0.930 5.961 1.170
152 H TYR 22 H TYR 22 4.000 6.086 -1.225
153 HA TYR 22 HA TYR 22 6.663 4.616 -1.132
154 HB2 TYR 22 2HB TYR 22 5.538 5.520 -3.345
155 HB3 TYR 22 1HB TYR 22 6.153 7.074 -2.791
156 HD1 TYR 22 1HD TYR 22 8.651 5.584 -1.351
157 HD2 TYR 22 2HD TYR 22 7.007 5.630 -5.326
158 HE1 TYR 22 1HE TYR 22 10.863 5.020 -2.271
159 HE2 TYR 22 2HE TYR 22 9.237 5.061 -6.240
160 HH TYR 22 HH TYR 22 11.955 5.494 -4.847
161 H ALA 23 H ALA 23 7.824 5.311 0.658
162 HA ALA 23 HA ALA 23 7.389 8.072 1.644
163 HB1 ALA 23 1HB ALA 23 9.236 7.232 3.323
164 HB2 ALA 23 2HB ALA 23 8.802 5.644 2.702
165 HB3 ALA 23 3HB ALA 23 7.581 6.648 3.482
166 H TRP 24 H TRP 24 8.379 9.358 0.049
167 HA TRP 24 HA TRP 24 10.864 8.886 -1.185
168 HB2 TRP 24 2HB TRP 24 10.177 10.781 -2.204
169 HB3 TRP 24 1HB TRP 24 9.017 11.091 -0.915
170 HD1 TRP 24 HD TRP 24 10.090 12.289 1.338
171 HE1 TRP 24 1HE TRP 24 11.880 14.145 1.477
172 HE3 TRP 24 3HE TRP 24 12.182 11.820 -3.286
173 HZ2 TRP 24 2HZ TRP 24 13.932 15.276 -0.173
174 HZ3 TRP 24 3HZ TRP 24 14.050 13.292 -3.982
175 HH2 TRP 24 HH TRP 24 14.927 15.019 -2.433
176 H TYR 25 H TYR 25 10.120 10.359 2.005
177 HA TYR 25 HA TYR 25 12.830 11.234 2.536
178 HB2 TYR 25 2HB TYR 25 11.760 10.362 5.012
179 HB3 TYR 25 1HB TYR 25 11.757 12.003 4.375
180 HD1 TYR 25 1HD TYR 25 9.822 8.860 4.621
181 HD2 TYR 25 2HD TYR 25 9.761 12.993 3.474
182 HE1 TYR 25 1HE TYR 25 7.350 8.768 4.418
183 HE2 TYR 25 2HE TYR 25 7.291 12.904 3.266
184 HH TYR 25 HH TYR 25 5.570 10.166 3.007
185 H ASN 26 H ASN 26 11.233 8.115 3.245
186 HA ASN 26 HA ASN 26 13.848 6.996 4.092
187 HB2 ASN 26 2HB ASN 26 11.080 5.750 3.958
188 HB3 ASN 26 1HB ASN 26 12.519 4.961 4.608
189 HD21 ASN 26 1HD2 ASN 26 9.812 6.452 5.672
190 HD22 ASN 26 2HD2 ASN 26 10.396 7.175 7.093
191 H GLN 27 H GLN 27 12.119 7.460 1.261
192 HA GLN 27 HA GLN 27 12.333 6.586 -0.895
193 HB2 GLN 27 2HB GLN 27 14.889 6.656 0.205
194 HB3 GLN 27 1HB GLN 27 14.754 5.003 -0.394
195 HG2 GLN 27 2HG GLN 27 15.569 6.240 -2.247
196 HG3 GLN 27 1HG GLN 27 13.843 6.058 -2.567
197 HE21 GLN 27 1HE2 GLN 27 12.465 7.962 -2.292
198 HE22 GLN 27 2HE2 GLN 27 13.128 9.520 -2.177
199 H GLN 28 H GLN 28 11.563 4.807 1.685
200 HA GLN 28 HA GLN 28 11.512 2.208 0.199
201 HB2 GLN 28 2HB GLN 28 11.255 2.807 3.162
202 HB3 GLN 28 1HB GLN 28 11.059 1.206 2.451
203 HG2 GLN 28 2HG GLN 28 13.556 2.896 2.170
204 HG3 GLN 28 1HG GLN 28 13.359 1.610 3.359
205 HE21 GLN 28 1HE2 GLN 28 12.125 -0.411 1.921
206 HE22 GLN 28 2HE2 GLN 28 13.098 -0.890 0.615
207 H SER 29 H SER 29 9.524 1.309 -0.288
208 HA SER 29 HA SER 29 7.152 2.972 0.345
209 HB2 SER 29 2HB SER 29 7.630 0.705 -1.589
210 HB3 SER 29 1HB SER 29 6.015 1.298 -1.239
211 HG SER 29 HG SER 29 6.424 3.050 -2.341
212 H SER 30 H SER 30 5.408 2.128 1.545
213 HA SER 30 HA SER 30 5.653 -0.582 2.609
214 HB2 SER 30 2HB SER 30 5.620 0.060 4.868
215 HB3 SER 30 1HB SER 30 6.712 1.238 4.142
216 HG SER 30 HG SER 30 5.284 2.464 5.221
217 H CYS 31 H CYS 31 3.695 -1.579 2.562
218 HA CYS 31 HA CYS 31 1.376 -0.127 1.686
219 HB2 CYS 31 2HB CYS 31 2.137 -2.822 1.824
220 HB3 CYS 31 1HB CYS 31 0.706 -2.695 2.843
221 H GLU 32 H GLU 32 -0.708 -0.045 2.855
222 HA GLU 32 HA GLU 32 -0.494 -0.107 5.808
223 HB2 GLU 32 2HB GLU 32 -1.182 2.374 4.209
224 HB3 GLU 32 1HB GLU 32 -1.451 2.208 5.943
225 HG2 GLU 32 2HG GLU 32 0.923 1.843 6.309
226 HG3 GLU 32 1HG GLU 32 1.240 1.925 4.581
227 H ARG 33 H ARG 33 -2.439 -0.645 6.757
228 HA ARG 33 HA ARG 33 -4.614 -1.490 5.063
229 HB2 ARG 33 2HB ARG 33 -5.511 -2.409 6.971
230 HB3 ARG 33 1HB ARG 33 -3.877 -2.165 7.565
231 HG2 ARG 33 2HG ARG 33 -5.929 0.023 7.917
232 HG3 ARG 33 1HG ARG 33 -5.907 -1.351 9.008
233 HD2 ARG 33 2HD ARG 33 -3.370 0.159 8.418
234 HD3 ARG 33 1HD ARG 33 -4.492 0.718 9.660
235 HE ARG 33 HE ARG 33 -3.898 -2.091 9.995
236 HH11 ARG 33 1HH2 ARG 33 -2.712 1.115 10.406
237 HH12 ARG 33 2HH2 ARG 33 -1.687 0.709 11.742
238 HH21 ARG 33 2HH1 ARG 33 -2.572 -2.643 11.745
239 HH22 ARG 33 1HH1 ARG 33 -1.606 -1.419 12.501
240 H LYS 34 H LYS 34 -6.293 -0.256 4.297
241 HA LYS 34 HA LYS 34 -7.180 2.090 5.719
242 HB2 LYS 34 2HB LYS 34 -5.824 2.390 3.033
243 HB3 LYS 34 1HB LYS 34 -6.847 3.630 3.752
244 HG2 LYS 34 2HG LYS 34 -5.307 3.571 5.781
245 HG3 LYS 34 1HG LYS 34 -4.219 2.550 4.831
246 HD2 LYS 34 2HD LYS 34 -4.017 4.274 3.127
247 HD3 LYS 34 1HD LYS 34 -5.171 5.297 3.985
248 HE2 LYS 34 2HE LYS 34 -3.659 5.383 5.931
249 HE3 LYS 34 1HE LYS 34 -2.504 4.362 5.077
250 HZ1 LYS 34 3HZ LYS 34 -1.656 6.228 4.265
251 HZ2 LYS 34 1HZ LYS 34 -2.944 7.166 4.849
252 HZ3 LYS 34 2HZ LYS 34 -3.069 6.401 3.337
253 H TRP 35 H TRP 35 -8.234 -0.477 4.646
254 HA TRP 35 HA TRP 35 -10.358 0.608 2.821
255 HB2 TRP 35 2HB TRP 35 -9.133 -2.130 3.105
256 HB3 TRP 35 1HB TRP 35 -10.639 -1.860 2.223
257 HD1 TRP 35 HD TRP 35 -6.896 -1.261 2.025
258 HE1 TRP 35 1HE TRP 35 -6.302 -0.371 -0.322
259 HE3 TRP 35 3HE TRP 35 -11.585 -0.508 0.149
260 HZ2 TRP 35 2HZ TRP 35 -7.639 0.532 -2.680
261 HZ3 TRP 35 3HZ TRP 35 -11.894 0.365 -2.156
262 HH2 TRP 35 HH TRP 35 -9.927 0.883 -3.570
263 H LYS 36 H LYS 36 -9.766 -0.297 5.930
264 HA LYS 36 HA LYS 36 -11.826 -2.010 6.718
265 HB2 LYS 36 2HB LYS 36 -9.995 -0.280 7.996
266 HB3 LYS 36 1HB LYS 36 -11.575 0.177 8.617
267 HG2 LYS 36 2HG LYS 36 -10.831 -1.545 10.074
268 HG3 LYS 36 1HG LYS 36 -11.982 -2.335 8.997
269 HD2 LYS 36 2HD LYS 36 -9.969 -3.721 9.217
270 HD3 LYS 36 1HD LYS 36 -10.085 -3.101 7.573
271 HE2 LYS 36 2HE LYS 36 -8.270 -1.695 7.826
272 HE3 LYS 36 1HE LYS 36 -8.566 -1.449 9.546
273 HZ1 LYS 36 3HZ LYS 36 -7.908 -4.163 8.846
274 HZ2 LYS 36 1HZ LYS 36 -7.289 -3.179 10.081
275 HZ3 LYS 36 2HZ LYS 36 -6.668 -3.053 8.506
276 H TYR 37 H TYR 37 -12.122 1.022 5.227
277 HA TYR 37 HA TYR 37 -14.994 1.216 6.213
278 HB2 TYR 37 2HB TYR 37 -14.499 3.602 4.918
279 HB3 TYR 37 1HB TYR 37 -14.364 3.357 6.657
280 HD1 TYR 37 2HD TYR 37 -12.121 2.686 7.637
281 HD2 TYR 37 1HD TYR 37 -12.582 4.053 3.591
282 HE1 TYR 37 2HE TYR 37 -9.691 3.158 7.521
283 HE2 TYR 37 1HE TYR 37 -10.149 4.527 3.475
284 HH TYR 37 HH TYR 37 -8.219 4.538 4.578
285 H LEU 38 H LEU 38 -14.297 -0.670 4.244
286 HA LEU 38 HA LEU 38 -15.856 0.339 2.010
287 HB2 LEU 38 2HB LEU 38 -13.101 0.240 1.801
288 HB3 LEU 38 1HB LEU 38 -13.572 -1.316 1.138
289 HG LEU 38 HG LEU 38 -13.338 0.712 -0.472
290 HD11 LEU 38 1HD1 LEU 38 -15.813 -1.017 -0.491
291 HD12 LEU 38 2HD1 LEU 38 -14.252 -1.418 -1.190
292 HD13 LEU 38 3HD1 LEU 38 -15.214 -0.110 -1.870
293 HD21 LEU 38 3HD2 LEU 38 -16.163 1.263 0.441
294 HD22 LEU 38 1HD2 LEU 38 -15.193 2.182 -0.703
295 HD23 LEU 38 2HD2 LEU 38 -14.780 2.196 1.011
296 H PHE 39 H PHE 39 -16.885 -1.411 0.790
297 HA PHE 39 HA PHE 39 -17.921 -3.503 2.279
298 HB2 PHE 39 2HB PHE 39 -18.758 -2.934 0.037
299 HB3 PHE 39 1HB PHE 39 -17.261 -3.521 -0.684
300 HD1 PHE 39 1HD PHE 39 -19.732 -4.787 1.852
301 HD2 PHE 39 2HD PHE 39 -17.442 -5.621 -1.689
302 HE1 PHE 39 1HE PHE 39 -20.675 -7.076 1.780
303 HE2 PHE 39 2HE PHE 39 -18.391 -7.913 -1.757
304 HZ PHE 39 HZ PHE 39 -20.030 -8.640 -0.022
305 H THR 40 H THR 40 -16.816 -5.023 3.391
306 HA THR 40 HA THR 40 -14.925 -6.322 4.021
307 HB THR 40 HB THR 40 -15.465 -7.528 1.301
308 HG1 THR 40 1HG THR 40 -16.881 -8.617 3.288
309 HG21 THR 40 3HG2 THR 40 -14.437 -8.529 3.955
310 HG22 THR 40 1HG2 THR 40 -13.685 -8.664 2.366
311 HG23 THR 40 2HG2 THR 40 -15.103 -9.633 2.755
312 H GLY 41 H GLY 41 -13.785 -7.374 1.099
313 HA2 GLY 41 2HA GLY 41 -11.963 -5.155 0.539
314 HA3 GLY 41 1HA GLY 41 -11.190 -6.545 1.302
315 H GLU 42 H GLU 42 -13.032 -8.472 -0.078
316 HA GLU 42 HA GLU 42 -12.583 -9.872 -1.935
317 HB2 GLU 42 2HB GLU 42 -13.169 -8.378 -4.122
318 HB3 GLU 42 1HB GLU 42 -14.391 -9.051 -3.055
319 HG2 GLU 42 2HG GLU 42 -13.281 -6.361 -2.361
320 HG3 GLU 42 1HG GLU 42 -14.386 -6.469 -3.715
321 H CYS 43 H CYS 43 -10.209 -9.650 -1.311
322 HA CYS 43 HA CYS 43 -8.721 -8.707 -3.704
323 HB2 CYS 43 2HB CYS 43 -8.810 -7.258 -1.313
324 HB3 CYS 43 1HB CYS 43 -7.289 -8.137 -1.217
325 HXT CYS 43 2HT CYS 43 -6.664 -11.448 -3.065