Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
588780 | 2rv3 RC | 11483 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1H GLY 1 2.040 -16.035 -6.610
2 H2 GLY 1 2H GLY 1 2.647 -15.354 -5.253
3 H3 GLY 1 3H GLY 1 2.015 -16.867 -5.192
4 HA2 GLY 1 1HA GLY 1 4.436 -16.938 -5.140
5 HA3 GLY 1 2HA GLY 1 3.759 -17.747 -6.567
6 H SER 2 H SER 2 6.276 -17.127 -6.925
7 HA SER 2 HA SER 2 7.001 -14.503 -7.633
8 HB2 SER 2 1HB SER 2 8.099 -17.095 -8.783
9 HB3 SER 2 2HB SER 2 8.915 -15.520 -8.743
10 HG SER 2 HG SER 2 9.581 -16.884 -7.015
11 H SER 3 H SER 3 5.283 -16.871 -9.599
12 HA SER 3 HA SER 3 5.627 -15.367 -12.097
13 HB2 SER 3 1HB SER 3 3.949 -17.827 -11.508
14 HB3 SER 3 2HB SER 3 4.358 -17.178 -13.109
15 HG SER 3 HG SER 3 5.752 -18.897 -12.496
16 H GLY 4 H GLY 4 3.431 -15.025 -9.500
17 HA2 GLY 4 1HA GLY 4 1.912 -12.993 -10.581
18 HA3 GLY 4 2HA GLY 4 1.009 -14.442 -11.018
19 H SER 5 H SER 5 0.099 -12.323 -9.372
20 HA SER 5 HA SER 5 0.061 -13.224 -6.577
21 HB2 SER 5 1HB SER 5 -1.269 -11.165 -6.235
22 HB3 SER 5 2HB SER 5 0.284 -10.865 -7.030
23 HG SER 5 HG SER 5 -1.445 -9.741 -8.049
24 H SER 6 H SER 6 -2.063 -13.208 -5.419
25 HA SER 6 HA SER 6 -4.417 -14.130 -6.946
26 HB2 SER 6 1HB SER 6 -3.127 -16.175 -6.258
27 HB3 SER 6 2HB SER 6 -3.353 -15.693 -4.565
28 HG SER 6 HG SER 6 -4.968 -17.174 -5.329
29 H GLY 7 H GLY 7 -6.401 -13.981 -5.701
30 HA2 GLY 7 1HA GLY 7 -7.884 -12.800 -4.351
31 HA3 GLY 7 2HA GLY 7 -6.583 -12.574 -3.184
32 H LYS 8 H LYS 8 -7.223 -10.433 -2.771
33 HA LYS 8 HA LYS 8 -6.225 -8.422 -4.713
34 HB2 LYS 8 1HB LYS 8 -8.684 -8.641 -5.056
35 HB3 LYS 8 2HB LYS 8 -8.951 -8.212 -3.362
36 HG2 LYS 8 1HG LYS 8 -7.875 -6.002 -3.756
37 HG3 LYS 8 2HG LYS 8 -7.589 -6.435 -5.446
38 HD2 LYS 8 1HD LYS 8 -10.327 -6.196 -4.114
39 HD3 LYS 8 2HD LYS 8 -9.554 -4.945 -5.096
40 HE2 LYS 8 1HE LYS 8 -9.514 -6.499 -7.046
41 HE3 LYS 8 2HE LYS 8 -10.338 -7.727 -6.075
42 HZ1 LYS 8 3HZ LYS 8 -12.219 -6.192 -5.848
43 HZ2 LYS 8 1HZ LYS 8 -11.912 -6.472 -7.425
44 HZ3 LYS 8 2HZ LYS 8 -11.460 -5.059 -6.749
45 H THR 9 H THR 9 -5.143 -6.791 -3.808
46 HA THR 9 HA THR 9 -5.417 -6.080 -0.951
47 HB THR 9 HB THR 9 -2.948 -5.986 -0.653
48 HG1 THR 9 1HG THR 9 -2.884 -7.627 -2.965
49 HG21 THR 9 3HG2 THR 9 -2.525 -8.289 -0.175
50 HG22 THR 9 1HG2 THR 9 -3.858 -8.826 -1.216
51 HG23 THR 9 2HG2 THR 9 -4.196 -7.909 0.274
52 H HIS 10 H HIS 10 -4.526 -4.020 -0.426
53 HA HIS 10 HA HIS 10 -4.064 -2.183 -2.731
54 HB2 HIS 10 1HB HIS 10 -4.530 -1.642 0.223
55 HB3 HIS 10 2HB HIS 10 -4.212 -0.426 -1.007
56 HD1 HIS 10 1HD HIS 10 -6.225 0.196 -2.650
57 HD2 HIS 10 2HD HIS 10 -6.979 -2.897 0.096
58 HE1 HIS 10 1HE HIS 10 -8.752 -0.146 -2.640
59 H LEU 11 H LEU 11 -2.080 -2.801 -3.405
60 HA LEU 11 HA LEU 11 0.106 -3.343 -1.514
61 HB2 LEU 11 1HB LEU 11 -0.221 -4.962 -3.166
62 HB3 LEU 11 2HB LEU 11 -0.390 -3.761 -4.456
63 HG LEU 11 HG LEU 11 2.047 -3.220 -4.263
64 HD11 LEU 11 1HD1 LEU 11 2.139 -5.688 -2.479
65 HD12 LEU 11 2HD1 LEU 11 2.470 -4.028 -1.941
66 HD13 LEU 11 3HD1 LEU 11 3.529 -4.801 -3.122
67 HD21 LEU 11 3HD2 LEU 11 2.802 -5.271 -5.375
68 HD22 LEU 11 1HD2 LEU 11 1.191 -4.801 -5.941
69 HD23 LEU 11 2HD2 LEU 11 1.362 -6.139 -4.781
70 H CYS 12 H CYS 12 1.737 -2.115 -1.060
71 HA CYS 12 HA CYS 12 2.142 0.559 -2.153
72 HB2 CYS 12 1HB CYS 12 2.435 -0.238 0.262
73 HB3 CYS 12 2HB CYS 12 3.879 -1.085 -0.277
74 H ASP 13 H ASP 13 3.104 0.797 -4.112
75 HA ASP 13 HA ASP 13 4.914 -1.170 -5.262
76 HB2 ASP 13 1HB ASP 13 5.038 0.374 -7.129
77 HB3 ASP 13 2HB ASP 13 3.367 0.138 -6.634
78 H MET 14 H MET 14 5.410 1.146 -2.881
79 HA MET 14 HA MET 14 8.109 2.006 -3.716
80 HB2 MET 14 1HB MET 14 6.425 2.648 -1.273
81 HB3 MET 14 2HB MET 14 7.976 3.369 -1.660
82 HG2 MET 14 1HG MET 14 7.035 4.262 -3.762
83 HG3 MET 14 2HG MET 14 5.465 3.552 -3.373
84 HE1 MET 14 3HE MET 14 5.893 6.617 -4.135
85 HE2 MET 14 1HE MET 14 4.316 5.873 -3.783
86 HE3 MET 14 2HE MET 14 4.790 7.381 -2.965
87 H CYS 15 H CYS 15 6.663 -0.034 -1.199
88 HA CYS 15 HA CYS 15 9.372 -1.065 -0.469
89 HB2 CYS 15 1HB CYS 15 8.726 -1.211 1.830
90 HB3 CYS 15 2HB CYS 15 8.630 0.444 1.233
91 H GLY 16 H GLY 16 6.121 -1.875 -1.373
92 HA2 GLY 16 1HA GLY 16 5.493 -3.975 -2.234
93 HA3 GLY 16 2HA GLY 16 6.822 -4.754 -1.392
94 H LYS 17 H LYS 17 5.221 -2.792 0.857
95 HA LYS 17 HA LYS 17 3.932 -5.031 2.197
96 HB2 LYS 17 1HB LYS 17 3.911 -2.033 2.727
97 HB3 LYS 17 2HB LYS 17 3.119 -3.224 3.764
98 HG2 LYS 17 1HG LYS 17 5.285 -4.367 4.142
99 HG3 LYS 17 2HG LYS 17 6.102 -3.174 3.117
100 HD2 LYS 17 1HD LYS 17 5.304 -1.363 4.659
101 HD3 LYS 17 2HD LYS 17 4.648 -2.596 5.741
102 HE2 LYS 17 1HE LYS 17 7.574 -2.344 4.891
103 HE3 LYS 17 2HE LYS 17 6.909 -1.704 6.396
104 HZ1 LYS 17 3HZ LYS 17 7.928 -3.856 6.771
105 HZ2 LYS 17 1HZ LYS 17 6.982 -4.582 5.662
106 HZ3 LYS 17 2HZ LYS 17 6.326 -3.987 7.039
107 H LYS 18 H LYS 18 1.822 -5.437 2.581
108 HA LYS 18 HA LYS 18 -0.139 -4.433 0.545
109 HB2 LYS 18 1HB LYS 18 0.344 -7.154 1.801
110 HB3 LYS 18 2HB LYS 18 -1.180 -6.746 1.015
111 HG2 LYS 18 1HG LYS 18 -0.126 -6.347 -1.103
112 HG3 LYS 18 2HG LYS 18 1.485 -6.387 -0.388
113 HD2 LYS 18 1HD LYS 18 1.259 -8.774 0.133
114 HD3 LYS 18 2HD LYS 18 -0.381 -8.786 -0.546
115 HE2 LYS 18 1HE LYS 18 0.513 -8.094 -2.748
116 HE3 LYS 18 2HE LYS 18 2.151 -8.050 -2.078
117 HZ1 LYS 18 3HZ LYS 18 0.457 -10.486 -2.263
118 HZ2 LYS 18 1HZ LYS 18 1.969 -10.440 -1.641
119 HZ3 LYS 18 2HZ LYS 18 1.731 -10.145 -3.227
120 H PHE 19 H PHE 19 -2.017 -3.656 1.141
121 HA PHE 19 HA PHE 19 -2.800 -3.635 4.027
122 HB2 PHE 19 1HB PHE 19 -2.805 -1.383 1.985
123 HB3 PHE 19 2HB PHE 19 -3.446 -1.246 3.602
124 HD1 PHE 19 2HD PHE 19 -1.890 -1.537 5.609
125 HD2 PHE 19 1HD PHE 19 -0.423 -1.244 1.569
126 HE1 PHE 19 2HE PHE 19 0.383 -1.026 6.469
127 HE2 PHE 19 1HE PHE 19 1.847 -0.742 2.429
128 HZ PHE 19 HZ PHE 19 2.257 -0.643 4.881
129 H LYS 20 H LYS 20 -5.000 -3.263 4.514
130 HA LYS 20 HA LYS 20 -6.800 -4.702 2.691
131 HB2 LYS 20 1HB LYS 20 -8.214 -5.011 4.577
132 HB3 LYS 20 2HB LYS 20 -6.552 -5.340 5.059
133 HG2 LYS 20 1HG LYS 20 -6.437 -3.016 6.058
134 HG3 LYS 20 2HG LYS 20 -8.145 -2.802 5.680
135 HD2 LYS 20 1HD LYS 20 -6.934 -4.906 7.523
136 HD3 LYS 20 2HD LYS 20 -7.777 -3.453 8.041
137 HE2 LYS 20 1HE LYS 20 -9.031 -5.757 6.473
138 HE3 LYS 20 2HE LYS 20 -9.138 -5.534 8.217
139 HZ1 LYS 20 3HZ LYS 20 -11.106 -4.663 7.139
140 HZ2 LYS 20 1HZ LYS 20 -10.241 -3.649 6.201
141 HZ3 LYS 20 2HZ LYS 20 -10.298 -3.425 7.822
142 H SER 21 H SER 21 -6.183 -1.456 3.017
143 HA SER 21 HA SER 21 -8.589 -0.749 1.493
144 HB2 SER 21 1HB SER 21 -9.420 -0.395 3.746
145 HB3 SER 21 2HB SER 21 -7.978 0.537 4.181
146 HG SER 21 HG SER 21 -9.901 1.784 3.570
147 H LYS 22 H LYS 22 -8.339 1.100 0.275
148 HA LYS 22 HA LYS 22 -5.709 2.103 -0.369
149 HB2 LYS 22 1HB LYS 22 -6.981 3.854 -1.649
150 HB3 LYS 22 2HB LYS 22 -7.318 2.191 -2.097
151 HG2 LYS 22 1HG LYS 22 -9.447 2.225 -0.874
152 HG3 LYS 22 2HG LYS 22 -9.108 3.863 -0.291
153 HD2 LYS 22 1HD LYS 22 -9.140 4.708 -2.627
154 HD3 LYS 22 2HD LYS 22 -9.370 3.061 -3.220
155 HE2 LYS 22 1HE LYS 22 -11.501 4.119 -3.286
156 HE3 LYS 22 2HE LYS 22 -11.541 2.925 -1.989
157 HZ1 LYS 22 3HZ LYS 22 -11.143 5.850 -1.605
158 HZ2 LYS 22 1HZ LYS 22 -11.225 4.749 -0.395
159 HZ3 LYS 22 2HZ LYS 22 -12.532 5.049 -1.320
160 H GLY 23 H GLY 23 -8.112 3.145 1.988
161 HA2 GLY 23 1HA GLY 23 -6.906 5.707 2.635
162 HA3 GLY 23 2HA GLY 23 -7.998 4.754 3.651
163 H THR 24 H THR 24 -6.499 2.377 3.938
164 HA THR 24 HA THR 24 -4.541 3.066 5.926
165 HB THR 24 HB THR 24 -4.892 0.373 4.562
166 HG1 THR 24 1HG THR 24 -6.299 0.008 6.377
167 HG21 THR 24 3HG2 THR 24 -2.904 0.588 6.063
168 HG22 THR 24 1HG2 THR 24 -4.119 -0.519 6.721
169 HG23 THR 24 2HG2 THR 24 -3.970 1.131 7.374
170 H LEU 25 H LEU 25 -4.200 1.814 2.546
171 HA LEU 25 HA LEU 25 -1.357 1.812 2.481
172 HB2 LEU 25 1HB LEU 25 -2.660 0.664 0.816
173 HB3 LEU 25 2HB LEU 25 -3.517 2.137 0.382
174 HG LEU 25 HG LEU 25 -1.389 3.095 -0.531
175 HD11 LEU 25 1HD1 LEU 25 0.241 1.771 0.814
176 HD12 LEU 25 2HD1 LEU 25 0.531 1.620 -0.917
177 HD13 LEU 25 3HD1 LEU 25 -0.276 0.302 -0.046
178 HD21 LEU 25 3HD2 LEU 25 -2.128 0.399 -1.690
179 HD22 LEU 25 1HD2 LEU 25 -1.342 1.745 -2.539
180 HD23 LEU 25 2HD2 LEU 25 -3.009 1.925 -1.957
181 H LYS 26 H LYS 26 -3.678 4.470 1.658
182 HA LYS 26 HA LYS 26 -1.704 6.408 0.953
183 HB2 LYS 26 1HB LYS 26 -4.073 6.650 0.439
184 HB3 LYS 26 2HB LYS 26 -4.480 6.768 2.160
185 HG2 LYS 26 1HG LYS 26 -3.137 8.824 2.364
186 HG3 LYS 26 2HG LYS 26 -2.665 8.716 0.669
187 HD2 LYS 26 1HD LYS 26 -5.501 9.064 1.738
188 HD3 LYS 26 2HD LYS 26 -4.499 10.368 1.112
189 HE2 LYS 26 1HE LYS 26 -5.463 7.967 -0.518
190 HE3 LYS 26 2HE LYS 26 -6.247 9.545 -0.481
191 HZ1 LYS 26 3HZ LYS 26 -4.207 10.527 -1.381
192 HZ2 LYS 26 1HZ LYS 26 -4.779 9.378 -2.385
193 HZ3 LYS 26 2HZ LYS 26 -3.480 9.063 -1.452
194 H SER 27 H SER 27 -3.230 5.779 4.130
195 HA SER 27 HA SER 27 -1.772 7.694 5.644
196 HB2 SER 27 1HB SER 27 -2.867 4.999 6.545
197 HB3 SER 27 2HB SER 27 -2.359 6.324 7.604
198 HG SER 27 HG SER 27 -4.534 6.255 5.776
199 H HIS 28 H HIS 28 -0.780 4.550 4.463
200 HA HIS 28 HA HIS 28 1.695 4.437 6.057
201 HB2 HIS 28 1HB HIS 28 0.766 2.333 5.567
202 HB3 HIS 28 2HB HIS 28 0.443 2.740 3.888
203 HD1 HIS 28 1HD HIS 28 3.533 2.015 6.112
204 HD2 HIS 28 2HD HIS 28 2.256 2.202 2.111
205 HE1 HIS 28 1HE HIS 28 5.486 1.179 4.726
206 H LYS 29 H LYS 29 0.840 5.201 2.632
207 HA LYS 29 HA LYS 29 3.517 5.635 1.762
208 HB2 LYS 29 1HB LYS 29 0.792 6.417 0.712
209 HB3 LYS 29 2HB LYS 29 2.254 7.077 -0.040
210 HG2 LYS 29 1HG LYS 29 3.161 4.813 -0.362
211 HG3 LYS 29 2HG LYS 29 1.696 4.099 0.334
212 HD2 LYS 29 1HD LYS 29 0.348 4.864 -1.506
213 HD3 LYS 29 2HD LYS 29 1.631 5.956 -2.079
214 HE2 LYS 29 1HE LYS 29 3.099 4.011 -2.532
215 HE3 LYS 29 2HE LYS 29 1.820 2.909 -2.031
216 HZ1 LYS 29 3HZ LYS 29 1.540 4.852 -4.269
217 HZ2 LYS 29 1HZ LYS 29 0.490 3.651 -3.898
218 HZ3 LYS 29 2HZ LYS 29 1.989 3.305 -4.485
219 H LEU 30 H LEU 30 1.482 7.824 3.568
220 HA LEU 30 HA LEU 30 2.959 10.237 3.245
221 HB2 LEU 30 1HB LEU 30 1.552 9.038 5.662
222 HB3 LEU 30 2HB LEU 30 2.189 10.677 5.633
223 HG LEU 30 HG LEU 30 0.044 9.665 3.723
224 HD11 LEU 30 1HD1 LEU 30 -0.192 11.417 6.198
225 HD12 LEU 30 2HD1 LEU 30 -0.695 9.718 6.086
226 HD13 LEU 30 3HD1 LEU 30 -1.513 10.945 5.100
227 HD21 LEU 30 3HD2 LEU 30 1.281 11.554 2.770
228 HD22 LEU 30 1HD2 LEU 30 1.099 12.467 4.284
229 HD23 LEU 30 2HD2 LEU 30 -0.323 12.080 3.287
230 H LEU 31 H LEU 31 3.880 7.296 4.934
231 HA LEU 31 HA LEU 31 6.122 8.498 6.380
232 HB2 LEU 31 1HB LEU 31 5.569 5.570 5.786
233 HB3 LEU 31 2HB LEU 31 6.663 6.212 6.997
234 HG LEU 31 HG LEU 31 3.622 6.512 7.049
235 HD11 LEU 31 1HD1 LEU 31 4.394 4.210 7.447
236 HD12 LEU 31 2HD1 LEU 31 3.726 4.937 8.918
237 HD13 LEU 31 3HD1 LEU 31 5.489 4.788 8.723
238 HD21 LEU 31 3HD2 LEU 31 4.696 8.409 8.186
239 HD22 LEU 31 1HD2 LEU 31 5.731 7.295 9.110
240 HD23 LEU 31 2HD2 LEU 31 3.971 7.315 9.367
241 H HIS 32 H HIS 32 5.680 7.273 3.135
242 HA HIS 32 HA HIS 32 8.592 7.045 2.618
243 HB2 HIS 32 1HB HIS 32 6.183 6.773 0.782
244 HB3 HIS 32 2HB HIS 32 7.859 6.560 0.298
245 HD1 HIS 32 1HD HIS 32 9.048 4.565 2.282
246 HD2 HIS 32 2HD HIS 32 5.159 4.422 0.711
247 HE1 HIS 32 1HE HIS 32 8.353 2.127 2.382
248 H THR 33 H THR 33 5.843 9.218 1.799
249 HA THR 33 HA THR 33 7.750 11.403 1.240
250 HB THR 33 HB THR 33 7.578 10.288 -0.907
251 HG1 THR 33 1HG THR 33 7.003 12.109 -2.060
252 HG21 THR 33 3HG2 THR 33 5.295 9.296 -0.741
253 HG22 THR 33 1HG2 THR 33 5.544 10.220 -2.227
254 HG23 THR 33 2HG2 THR 33 4.597 10.924 -0.902
255 H ALA 34 H ALA 34 7.001 13.406 1.578
256 HA ALA 34 HA ALA 34 4.179 14.059 1.867
257 HB1 ALA 34 1HB ALA 34 6.049 14.201 4.281
258 HB2 ALA 34 2HB ALA 34 4.397 14.849 4.210
259 HB3 ALA 34 3HB ALA 34 4.664 13.101 4.101
260 H ASP 35 H ASP 35 3.867 16.402 2.171
261 HA ASP 35 HA ASP 35 5.812 17.995 0.704
262 HB2 ASP 35 1HB ASP 35 3.386 18.275 0.424
263 HB3 ASP 35 2HB ASP 35 3.233 18.766 2.114
264 H GLY 36 H GLY 36 7.090 19.680 1.410
265 HA2 GLY 36 1HA GLY 36 7.201 20.809 4.036
266 HA3 GLY 36 2HA GLY 36 8.384 19.506 3.923
Start of MODEL 2
1 H1 GLY 1 1H GLY 1 10.341 -8.999 -12.558
2 H2 GLY 1 2H GLY 1 9.094 -8.050 -13.043
3 H3 GLY 1 3H GLY 1 9.199 -9.596 -13.571
4 HA2 GLY 1 1HA GLY 1 8.870 -10.451 -11.340
5 HA3 GLY 1 2HA GLY 1 8.739 -8.774 -10.779
6 H SER 2 H SER 2 6.631 -9.272 -9.963
7 HA SER 2 HA SER 2 4.469 -8.903 -11.941
8 HB2 SER 2 1HB SER 2 4.647 -11.352 -11.736
9 HB3 SER 2 2HB SER 2 4.502 -11.228 -9.972
10 HG SER 2 HG SER 2 2.508 -11.707 -11.141
11 H SER 3 H SER 3 2.575 -8.027 -11.059
12 HA SER 3 HA SER 3 2.790 -6.637 -8.471
13 HB2 SER 3 1HB SER 3 0.637 -5.631 -9.153
14 HB3 SER 3 2HB SER 3 1.916 -5.413 -10.359
15 HG SER 3 HG SER 3 -0.042 -6.080 -11.339
16 H GLY 4 H GLY 4 1.605 -9.686 -9.525
17 HA2 GLY 4 1HA GLY 4 0.441 -11.365 -8.452
18 HA3 GLY 4 2HA GLY 4 0.837 -10.540 -6.948
19 H SER 5 H SER 5 -1.040 -10.669 -5.839
20 HA SER 5 HA SER 5 -3.664 -10.366 -6.967
21 HB2 SER 5 1HB SER 5 -2.861 -10.405 -4.043
22 HB3 SER 5 2HB SER 5 -4.469 -10.735 -4.721
23 HG SER 5 HG SER 5 -3.326 -12.672 -4.273
24 H SER 6 H SER 6 -2.104 -7.952 -7.416
25 HA SER 6 HA SER 6 -2.966 -5.786 -5.730
26 HB2 SER 6 1HB SER 6 -1.082 -5.671 -7.348
27 HB3 SER 6 2HB SER 6 -2.252 -5.720 -8.684
28 HG SER 6 HG SER 6 -1.661 -3.567 -8.116
29 H GLY 7 H GLY 7 -4.636 -4.287 -6.015
30 HA2 GLY 7 1HA GLY 7 -6.748 -3.488 -6.631
31 HA3 GLY 7 2HA GLY 7 -6.870 -4.730 -7.880
32 H LYS 8 H LYS 8 -6.543 -7.076 -6.393
33 HA LYS 8 HA LYS 8 -8.992 -7.347 -4.788
34 HB2 LYS 8 1HB LYS 8 -6.643 -9.264 -5.133
35 HB3 LYS 8 2HB LYS 8 -8.193 -9.660 -4.419
36 HG2 LYS 8 1HG LYS 8 -7.663 -8.910 -7.328
37 HG3 LYS 8 2HG LYS 8 -8.012 -10.513 -6.704
38 HD2 LYS 8 1HD LYS 8 -9.949 -8.155 -6.730
39 HD3 LYS 8 2HD LYS 8 -9.954 -9.538 -7.829
40 HE2 LYS 8 1HE LYS 8 -10.326 -11.071 -5.892
41 HE3 LYS 8 2HE LYS 8 -10.395 -9.673 -4.811
42 HZ1 LYS 8 3HZ LYS 8 -12.616 -10.378 -5.485
43 HZ2 LYS 8 1HZ LYS 8 -12.266 -10.179 -7.064
44 HZ3 LYS 8 2HZ LYS 8 -12.332 -8.882 -6.071
45 H THR 9 H THR 9 -5.571 -6.959 -4.160
46 HA THR 9 HA THR 9 -6.137 -6.163 -1.332
47 HB THR 9 HB THR 9 -3.529 -7.406 -2.297
48 HG1 THR 9 1HG THR 9 -5.148 -8.957 -2.378
49 HG21 THR 9 3HG2 THR 9 -3.201 -7.803 0.150
50 HG22 THR 9 1HG2 THR 9 -4.672 -6.866 0.482
51 HG23 THR 9 2HG2 THR 9 -3.256 -6.085 -0.261
52 H HIS 10 H HIS 10 -4.990 -4.272 -0.640
53 HA HIS 10 HA HIS 10 -4.105 -2.501 -2.842
54 HB2 HIS 10 1HB HIS 10 -4.520 -1.955 0.117
55 HB3 HIS 10 2HB HIS 10 -4.135 -0.759 -1.112
56 HD1 HIS 10 1HD HIS 10 -6.130 -0.034 -2.773
57 HD2 HIS 10 2HD HIS 10 -7.061 -2.941 0.119
58 HE1 HIS 10 1HE HIS 10 -8.676 -0.173 -2.693
59 H LEU 11 H LEU 11 -1.972 -1.684 -3.042
60 HA LEU 11 HA LEU 11 0.128 -3.039 -1.404
61 HB2 LEU 11 1HB LEU 11 -0.291 -4.473 -3.223
62 HB3 LEU 11 2HB LEU 11 -0.399 -3.135 -4.376
63 HG LEU 11 HG LEU 11 2.070 -2.755 -4.118
64 HD11 LEU 11 1HD1 LEU 11 3.420 -4.575 -3.139
65 HD12 LEU 11 2HD1 LEU 11 1.947 -5.395 -2.591
66 HD13 LEU 11 3HD1 LEU 11 2.410 -3.827 -1.898
67 HD21 LEU 11 3HD2 LEU 11 2.708 -4.714 -5.444
68 HD22 LEU 11 1HD2 LEU 11 1.131 -4.093 -5.958
69 HD23 LEU 11 2HD2 LEU 11 1.216 -5.555 -4.946
70 H CYS 12 H CYS 12 1.847 -1.942 -0.913
71 HA CYS 12 HA CYS 12 2.360 0.813 -1.714
72 HB2 CYS 12 1HB CYS 12 2.835 -0.077 0.541
73 HB3 CYS 12 2HB CYS 12 3.961 -1.248 -0.157
74 H ASP 13 H ASP 13 3.382 1.400 -3.548
75 HA ASP 13 HA ASP 13 4.813 -0.564 -5.196
76 HB2 ASP 13 1HB ASP 13 4.871 1.160 -6.869
77 HB3 ASP 13 2HB ASP 13 3.249 1.023 -6.212
78 H MET 14 H MET 14 5.747 1.112 -2.532
79 HA MET 14 HA MET 14 8.460 1.894 -3.533
80 HB2 MET 14 1HB MET 14 6.752 2.835 -1.214
81 HB3 MET 14 2HB MET 14 8.423 3.360 -1.494
82 HG2 MET 14 1HG MET 14 7.803 4.146 -3.739
83 HG3 MET 14 2HG MET 14 6.122 3.715 -3.464
84 HE1 MET 14 3HE MET 14 4.701 6.377 -1.153
85 HE2 MET 14 1HE MET 14 4.365 5.218 -2.459
86 HE3 MET 14 2HE MET 14 5.043 4.644 -0.922
87 H CYS 15 H CYS 15 6.867 0.060 -0.959
88 HA CYS 15 HA CYS 15 9.435 -1.370 -0.536
89 HB2 CYS 15 1HB CYS 15 9.247 -1.445 1.822
90 HB3 CYS 15 2HB CYS 15 9.272 0.224 1.282
91 H GLY 16 H GLY 16 6.284 -1.727 -1.459
92 HA2 GLY 16 1HA GLY 16 5.382 -3.699 -2.291
93 HA3 GLY 16 2HA GLY 16 6.698 -4.603 -1.565
94 H LYS 17 H LYS 17 5.093 -2.756 0.801
95 HA LYS 17 HA LYS 17 3.909 -5.088 2.082
96 HB2 LYS 17 1HB LYS 17 3.834 -2.119 2.761
97 HB3 LYS 17 2HB LYS 17 3.166 -3.391 3.790
98 HG2 LYS 17 1HG LYS 17 5.392 -4.446 3.998
99 HG3 LYS 17 2HG LYS 17 6.075 -3.235 2.898
100 HD2 LYS 17 1HD LYS 17 5.422 -1.441 4.527
101 HD3 LYS 17 2HD LYS 17 4.869 -2.692 5.641
102 HE2 LYS 17 1HE LYS 17 7.112 -1.891 6.232
103 HE3 LYS 17 2HE LYS 17 7.140 -3.607 5.818
104 HZ1 LYS 17 3HZ LYS 17 8.117 -3.092 3.719
105 HZ2 LYS 17 1HZ LYS 17 8.960 -2.200 4.800
106 HZ3 LYS 17 2HZ LYS 17 7.824 -1.499 3.830
107 H LYS 18 H LYS 18 1.827 -5.568 2.499
108 HA LYS 18 HA LYS 18 -0.186 -4.491 0.573
109 HB2 LYS 18 1HB LYS 18 0.375 -7.248 1.656
110 HB3 LYS 18 2HB LYS 18 -1.226 -6.841 1.043
111 HG2 LYS 18 1HG LYS 18 -0.402 -6.303 -1.144
112 HG3 LYS 18 2HG LYS 18 1.280 -6.331 -0.600
113 HD2 LYS 18 1HD LYS 18 1.069 -8.763 -0.091
114 HD3 LYS 18 2HD LYS 18 -0.593 -8.738 -0.723
115 HE2 LYS 18 1HE LYS 18 0.239 -8.035 -2.938
116 HE3 LYS 18 2HE LYS 18 1.890 -7.935 -2.310
117 HZ1 LYS 18 3HZ LYS 18 1.526 -10.037 -3.464
118 HZ2 LYS 18 1HZ LYS 18 0.296 -10.439 -2.464
119 HZ3 LYS 18 2HZ LYS 18 1.820 -10.329 -1.889
120 H PHE 19 H PHE 19 -2.224 -4.056 1.148
121 HA PHE 19 HA PHE 19 -2.915 -3.829 4.044
122 HB2 PHE 19 1HB PHE 19 -3.009 -1.643 1.933
123 HB3 PHE 19 2HB PHE 19 -3.620 -1.486 3.571
124 HD1 PHE 19 2HD PHE 19 -2.051 -1.467 5.523
125 HD2 PHE 19 1HD PHE 19 -0.607 -1.598 1.466
126 HE1 PHE 19 2HE PHE 19 0.210 -0.800 6.306
127 HE2 PHE 19 1HE PHE 19 1.650 -0.935 2.249
128 HZ PHE 19 HZ PHE 19 2.067 -0.551 4.672
129 H LYS 20 H LYS 20 -5.086 -3.543 4.562
130 HA LYS 20 HA LYS 20 -6.954 -4.974 2.844
131 HB2 LYS 20 1HB LYS 20 -6.716 -5.344 5.288
132 HB3 LYS 20 2HB LYS 20 -7.271 -3.704 5.599
133 HG2 LYS 20 1HG LYS 20 -9.018 -5.344 6.030
134 HG3 LYS 20 2HG LYS 20 -9.497 -4.250 4.741
135 HD2 LYS 20 1HD LYS 20 -8.934 -6.022 3.048
136 HD3 LYS 20 2HD LYS 20 -8.391 -7.072 4.359
137 HE2 LYS 20 1HE LYS 20 -10.586 -7.779 3.743
138 HE3 LYS 20 2HE LYS 20 -10.701 -7.010 5.329
139 HZ1 LYS 20 3HZ LYS 20 -11.388 -5.698 2.745
140 HZ2 LYS 20 1HZ LYS 20 -11.546 -5.008 4.219
141 HZ3 LYS 20 2HZ LYS 20 -12.474 -6.285 3.813
142 H SER 21 H SER 21 -6.294 -1.621 3.275
143 HA SER 21 HA SER 21 -8.598 -0.894 1.556
144 HB2 SER 21 1HB SER 21 -9.481 -0.553 3.786
145 HB3 SER 21 2HB SER 21 -8.040 0.360 4.267
146 HG SER 21 HG SER 21 -9.933 1.636 3.623
147 H LYS 22 H LYS 22 -8.308 0.904 0.324
148 HA LYS 22 HA LYS 22 -5.689 1.925 -0.282
149 HB2 LYS 22 1HB LYS 22 -6.925 3.645 -1.602
150 HB3 LYS 22 2HB LYS 22 -7.317 1.988 -2.011
151 HG2 LYS 22 1HG LYS 22 -9.435 2.124 -0.756
152 HG3 LYS 22 2HG LYS 22 -9.038 3.771 -0.240
153 HD2 LYS 22 1HD LYS 22 -9.035 4.513 -2.609
154 HD3 LYS 22 2HD LYS 22 -9.429 2.857 -3.124
155 HE2 LYS 22 1HE LYS 22 -11.531 2.951 -1.798
156 HE3 LYS 22 2HE LYS 22 -11.137 4.596 -1.282
157 HZ1 LYS 22 3HZ LYS 22 -11.247 5.284 -3.620
158 HZ2 LYS 22 1HZ LYS 22 -12.659 4.604 -3.171
159 HZ3 LYS 22 2HZ LYS 22 -11.613 3.764 -4.097
160 H GLY 23 H GLY 23 -8.108 2.989 2.063
161 HA2 GLY 23 1HA GLY 23 -6.900 5.576 2.623
162 HA3 GLY 23 2HA GLY 23 -8.023 4.689 3.656
163 H THR 24 H THR 24 -6.593 2.311 4.133
164 HA THR 24 HA THR 24 -4.637 3.026 6.094
165 HB THR 24 HB THR 24 -4.927 0.320 4.737
166 HG1 THR 24 1HG THR 24 -6.382 -0.067 6.500
167 HG21 THR 24 3HG2 THR 24 -4.080 1.106 7.563
168 HG22 THR 24 1HG2 THR 24 -2.980 0.571 6.277
169 HG23 THR 24 2HG2 THR 24 -4.191 -0.550 6.915
170 H LEU 25 H LEU 25 -4.278 1.777 2.734
171 HA LEU 25 HA LEU 25 -1.431 1.796 2.664
172 HB2 LEU 25 1HB LEU 25 -2.743 0.603 1.032
173 HB3 LEU 25 2HB LEU 25 -3.594 2.070 0.564
174 HG LEU 25 HG LEU 25 -1.484 3.006 -0.377
175 HD11 LEU 25 1HD1 LEU 25 0.451 1.514 -0.728
176 HD12 LEU 25 2HD1 LEU 25 -0.341 0.241 0.204
177 HD13 LEU 25 3HD1 LEU 25 0.171 1.746 0.997
178 HD21 LEU 25 3HD2 LEU 25 -3.102 1.759 -1.757
179 HD22 LEU 25 1HD2 LEU 25 -2.185 0.263 -1.442
180 HD23 LEU 25 2HD2 LEU 25 -1.441 1.586 -2.351
181 H LYS 26 H LYS 26 -3.776 4.441 1.820
182 HA LYS 26 HA LYS 26 -1.858 6.354 0.993
183 HB2 LYS 26 1HB LYS 26 -4.292 6.613 0.710
184 HB3 LYS 26 2HB LYS 26 -4.510 6.743 2.459
185 HG2 LYS 26 1HG LYS 26 -3.132 8.838 2.458
186 HG3 LYS 26 2HG LYS 26 -2.940 8.671 0.710
187 HD2 LYS 26 1HD LYS 26 -4.677 10.273 1.075
188 HD3 LYS 26 2HD LYS 26 -5.473 8.796 0.505
189 HE2 LYS 26 1HE LYS 26 -6.065 8.209 2.845
190 HE3 LYS 26 2HE LYS 26 -5.212 9.642 3.430
191 HZ1 LYS 26 3HZ LYS 26 -6.807 11.016 2.201
192 HZ2 LYS 26 1HZ LYS 26 -7.600 10.047 3.244
193 HZ3 LYS 26 2HZ LYS 26 -7.596 9.693 1.651
194 H SER 27 H SER 27 -3.153 5.823 4.303
195 HA SER 27 HA SER 27 -1.477 7.649 5.676
196 HB2 SER 27 1HB SER 27 -2.693 5.034 6.628
197 HB3 SER 27 2HB SER 27 -1.955 6.259 7.679
198 HG SER 27 HG SER 27 -4.238 6.521 7.500
199 H HIS 28 H HIS 28 -0.583 4.583 4.278
200 HA HIS 28 HA HIS 28 1.989 4.455 5.750
201 HB2 HIS 28 1HB HIS 28 0.889 2.357 5.341
202 HB3 HIS 28 2HB HIS 28 0.706 2.708 3.625
203 HD1 HIS 28 1HD HIS 28 3.544 1.915 6.126
204 HD2 HIS 28 2HD HIS 28 2.666 2.108 2.019
205 HE1 HIS 28 1HE HIS 28 5.577 0.963 4.940
206 H LYS 29 H LYS 29 0.826 5.168 2.406
207 HA LYS 29 HA LYS 29 3.424 5.672 1.288
208 HB2 LYS 29 1HB LYS 29 0.648 6.607 0.477
209 HB3 LYS 29 2HB LYS 29 2.117 6.937 -0.458
210 HG2 LYS 29 1HG LYS 29 2.537 4.400 -0.457
211 HG3 LYS 29 2HG LYS 29 0.884 4.221 0.140
212 HD2 LYS 29 1HD LYS 29 0.069 5.496 -1.881
213 HD3 LYS 29 2HD LYS 29 1.749 5.570 -2.448
214 HE2 LYS 29 1HE LYS 29 1.730 2.971 -2.188
215 HE3 LYS 29 2HE LYS 29 -0.029 3.143 -2.095
216 HZ1 LYS 29 3HZ LYS 29 1.754 3.788 -4.362
217 HZ2 LYS 29 1HZ LYS 29 0.203 4.364 -4.311
218 HZ3 LYS 29 2HZ LYS 29 0.504 2.755 -4.354
219 H LEU 30 H LEU 30 1.280 7.827 3.086
220 HA LEU 30 HA LEU 30 2.720 10.260 2.748
221 HB2 LEU 30 1HB LEU 30 1.116 9.104 5.055
222 HB3 LEU 30 2HB LEU 30 1.786 10.731 5.104
223 HG LEU 30 HG LEU 30 -0.155 9.796 2.946
224 HD11 LEU 30 1HD1 LEU 30 -1.157 9.784 5.202
225 HD12 LEU 30 2HD1 LEU 30 -1.831 11.078 4.195
226 HD13 LEU 30 3HD1 LEU 30 -0.625 11.458 5.453
227 HD21 LEU 30 3HD2 LEU 30 -0.441 12.233 2.565
228 HD22 LEU 30 1HD2 LEU 30 1.200 11.694 2.201
229 HD23 LEU 30 2HD2 LEU 30 0.873 12.557 3.719
230 H LEU 31 H LEU 31 3.616 7.437 4.621
231 HA LEU 31 HA LEU 31 5.698 8.791 6.167
232 HB2 LEU 31 1HB LEU 31 5.384 5.814 5.673
233 HB3 LEU 31 2HB LEU 31 6.296 6.590 6.953
234 HG LEU 31 HG LEU 31 3.261 6.645 6.674
235 HD11 LEU 31 1HD1 LEU 31 3.276 5.171 8.626
236 HD12 LEU 31 2HD1 LEU 31 5.056 5.168 8.637
237 HD13 LEU 31 3HD1 LEU 31 4.166 4.436 7.282
238 HD21 LEU 31 3HD2 LEU 31 4.054 8.679 7.809
239 HD22 LEU 31 1HD2 LEU 31 5.059 7.697 8.901
240 HD23 LEU 31 2HD2 LEU 31 3.284 7.587 8.965
241 H HIS 32 H HIS 32 5.594 7.386 2.959
242 HA HIS 32 HA HIS 32 8.515 7.049 2.749
243 HB2 HIS 32 1HB HIS 32 6.205 6.756 0.804
244 HB3 HIS 32 2HB HIS 32 7.885 6.678 0.298
245 HD1 HIS 32 1HD HIS 32 9.394 4.656 1.470
246 HD2 HIS 32 2HD HIS 32 5.202 4.447 1.596
247 HE1 HIS 32 1HE HIS 32 8.838 2.216 1.867
248 H THR 33 H THR 33 6.103 9.477 1.726
249 HA THR 33 HA THR 33 7.997 10.946 0.081
250 HB THR 33 HB THR 33 5.684 10.992 -0.514
251 HG1 THR 33 1HG THR 33 5.573 13.140 -0.898
252 HG21 THR 33 3HG2 THR 33 5.166 12.518 2.077
253 HG22 THR 33 1HG2 THR 33 4.576 10.889 1.669
254 HG23 THR 33 2HG2 THR 33 4.010 12.285 0.746
255 H ALA 34 H ALA 34 8.817 13.020 0.377
256 HA ALA 34 HA ALA 34 9.586 13.736 3.135
257 HB1 ALA 34 1HB ALA 34 10.355 14.926 0.437
258 HB2 ALA 34 2HB ALA 34 11.089 15.317 2.007
259 HB3 ALA 34 3HB ALA 34 11.272 13.688 1.330
260 H ASP 35 H ASP 35 6.948 14.469 1.112
261 HA ASP 35 HA ASP 35 6.619 17.273 1.657
262 HB2 ASP 35 1HB ASP 35 5.598 16.095 -0.255
263 HB3 ASP 35 2HB ASP 35 4.591 15.159 0.853
264 H GLY 36 H GLY 36 5.392 18.370 3.143
265 HA2 GLY 36 1HA GLY 36 3.617 17.283 5.104
266 HA3 GLY 36 2HA GLY 36 5.225 17.441 5.811
Start of MODEL 3
1 H1 GLY 1 1H GLY 1 -8.953 -8.671 -25.964
2 H2 GLY 1 2H GLY 1 -10.456 -9.137 -25.505
3 H3 GLY 1 3H GLY 1 -9.168 -10.092 -25.177
4 HA2 GLY 1 1HA GLY 1 -8.247 -8.457 -23.678
5 HA3 GLY 1 2HA GLY 1 -9.633 -7.412 -24.036
6 H SER 2 H SER 2 -9.030 -8.100 -21.446
7 HA SER 2 HA SER 2 -11.275 -9.897 -20.618
8 HB2 SER 2 1HB SER 2 -8.470 -9.873 -19.441
9 HB3 SER 2 2HB SER 2 -9.855 -10.794 -18.823
10 HG SER 2 HG SER 2 -8.490 -12.061 -20.180
11 H SER 3 H SER 3 -12.221 -9.450 -18.601
12 HA SER 3 HA SER 3 -12.195 -6.620 -17.870
13 HB2 SER 3 1HB SER 3 -14.199 -7.256 -16.546
14 HB3 SER 3 2HB SER 3 -14.298 -7.691 -18.261
15 HG SER 3 HG SER 3 -14.984 -9.404 -16.874
16 H GLY 4 H GLY 4 -10.480 -9.271 -16.632
17 HA2 GLY 4 1HA GLY 4 -9.043 -9.395 -14.802
18 HA3 GLY 4 2HA GLY 4 -9.524 -7.770 -14.335
19 H SER 5 H SER 5 -9.702 -8.251 -12.149
20 HA SER 5 HA SER 5 -12.154 -9.662 -11.281
21 HB2 SER 5 1HB SER 5 -10.419 -11.400 -11.203
22 HB3 SER 5 2HB SER 5 -9.383 -10.348 -10.220
23 HG SER 5 HG SER 5 -10.676 -11.923 -9.031
24 H SER 6 H SER 6 -12.944 -8.993 -9.303
25 HA SER 6 HA SER 6 -11.982 -6.422 -8.216
26 HB2 SER 6 1HB SER 6 -14.364 -8.136 -7.423
27 HB3 SER 6 2HB SER 6 -14.022 -6.486 -6.868
28 HG SER 6 HG SER 6 -15.515 -6.530 -8.622
29 H GLY 7 H GLY 7 -11.252 -9.666 -7.585
30 HA2 GLY 7 1HA GLY 7 -11.104 -9.659 -4.694
31 HA3 GLY 7 2HA GLY 7 -10.446 -10.869 -5.794
32 H LYS 8 H LYS 8 -9.721 -7.393 -5.411
33 HA LYS 8 HA LYS 8 -6.808 -7.933 -5.561
34 HB2 LYS 8 1HB LYS 8 -8.428 -5.361 -5.769
35 HB3 LYS 8 2HB LYS 8 -6.673 -5.469 -5.945
36 HG2 LYS 8 1HG LYS 8 -6.930 -6.955 -7.907
37 HG3 LYS 8 2HG LYS 8 -8.681 -6.931 -7.716
38 HD2 LYS 8 1HD LYS 8 -8.098 -5.412 -9.491
39 HD3 LYS 8 2HD LYS 8 -8.746 -4.511 -8.127
40 HE2 LYS 8 1HE LYS 8 -6.907 -3.264 -9.003
41 HE3 LYS 8 2HE LYS 8 -6.409 -3.904 -7.438
42 HZ1 LYS 8 3HZ LYS 8 -5.678 -5.070 -10.078
43 HZ2 LYS 8 1HZ LYS 8 -5.184 -5.657 -8.635
44 HZ3 LYS 8 2HZ LYS 8 -4.683 -4.189 -9.135
45 H THR 9 H THR 9 -5.306 -6.749 -4.302
46 HA THR 9 HA THR 9 -6.143 -5.955 -1.536
47 HB THR 9 HB THR 9 -3.545 -7.366 -2.266
48 HG1 THR 9 1HG THR 9 -4.457 -9.137 -1.229
49 HG21 THR 9 3HG2 THR 9 -4.813 -6.680 0.427
50 HG22 THR 9 1HG2 THR 9 -3.322 -5.983 -0.249
51 HG23 THR 9 2HG2 THR 9 -3.367 -7.689 0.200
52 H HIS 10 H HIS 10 -5.111 -4.078 -0.728
53 HA HIS 10 HA HIS 10 -4.025 -2.281 -2.774
54 HB2 HIS 10 1HB HIS 10 -4.563 -1.928 0.198
55 HB3 HIS 10 2HB HIS 10 -3.960 -0.670 -0.858
56 HD1 HIS 10 1HD HIS 10 -5.683 0.317 -2.707
57 HD2 HIS 10 2HD HIS 10 -7.186 -2.595 -0.067
58 HE1 HIS 10 1HE HIS 10 -8.216 0.392 -2.931
59 H LEU 11 H LEU 11 -1.892 -1.691 -3.056
60 HA LEU 11 HA LEU 11 0.175 -3.040 -1.372
61 HB2 LEU 11 1HB LEU 11 -0.283 -4.523 -3.145
62 HB3 LEU 11 2HB LEU 11 -0.366 -3.222 -4.338
63 HG LEU 11 HG LEU 11 2.105 -2.888 -4.118
64 HD11 LEU 11 1HD1 LEU 11 2.439 -3.870 -1.846
65 HD12 LEU 11 2HD1 LEU 11 3.447 -4.655 -3.064
66 HD13 LEU 11 3HD1 LEU 11 1.979 -5.461 -2.484
67 HD21 LEU 11 3HD2 LEU 11 2.698 -4.935 -5.350
68 HD22 LEU 11 1HD2 LEU 11 1.136 -4.297 -5.890
69 HD23 LEU 11 2HD2 LEU 11 1.190 -5.709 -4.811
70 H CYS 12 H CYS 12 1.906 -1.949 -0.921
71 HA CYS 12 HA CYS 12 2.450 0.750 -1.926
72 HB2 CYS 12 1HB CYS 12 2.826 0.016 0.436
73 HB3 CYS 12 2HB CYS 12 4.047 -1.126 -0.142
74 H ASP 13 H ASP 13 3.398 1.020 -3.897
75 HA ASP 13 HA ASP 13 5.003 -1.081 -5.152
76 HB2 ASP 13 1HB ASP 13 5.110 0.434 -7.049
77 HB3 ASP 13 2HB ASP 13 3.461 0.218 -6.485
78 H MET 14 H MET 14 5.795 1.006 -2.733
79 HA MET 14 HA MET 14 8.528 1.674 -3.732
80 HB2 MET 14 1HB MET 14 6.846 2.706 -1.433
81 HB3 MET 14 2HB MET 14 8.521 3.191 -1.733
82 HG2 MET 14 1HG MET 14 7.911 3.930 -3.999
83 HG3 MET 14 2HG MET 14 6.220 3.537 -3.703
84 HE1 MET 14 3HE MET 14 4.871 6.269 -1.445
85 HE2 MET 14 1HE MET 14 4.506 5.136 -2.762
86 HE3 MET 14 2HE MET 14 5.158 4.525 -1.226
87 H CYS 15 H CYS 15 6.931 -0.034 -1.068
88 HA CYS 15 HA CYS 15 9.529 -1.376 -0.479
89 HB2 CYS 15 1HB CYS 15 9.146 -1.371 1.871
90 HB3 CYS 15 2HB CYS 15 9.176 0.275 1.252
91 H GLY 16 H GLY 16 6.293 -1.850 -1.366
92 HA2 GLY 16 1HA GLY 16 5.503 -3.893 -2.194
93 HA3 GLY 16 2HA GLY 16 6.788 -4.747 -1.363
94 H LYS 17 H LYS 17 5.199 -2.788 0.890
95 HA LYS 17 HA LYS 17 3.907 -5.025 2.219
96 HB2 LYS 17 1HB LYS 17 3.927 -2.024 2.763
97 HB3 LYS 17 2HB LYS 17 3.114 -3.204 3.797
98 HG2 LYS 17 1HG LYS 17 5.275 -4.411 4.120
99 HG3 LYS 17 2HG LYS 17 6.096 -3.184 3.138
100 HD2 LYS 17 1HD LYS 17 5.416 -1.435 4.776
101 HD3 LYS 17 2HD LYS 17 4.633 -2.688 5.769
102 HE2 LYS 17 1HE LYS 17 6.828 -3.875 5.944
103 HE3 LYS 17 2HE LYS 17 7.589 -2.590 5.000
104 HZ1 LYS 17 3HZ LYS 17 7.895 -2.254 7.387
105 HZ2 LYS 17 1HZ LYS 17 6.286 -2.212 7.647
106 HZ3 LYS 17 2HZ LYS 17 7.010 -1.028 6.778
107 H LYS 18 H LYS 18 1.856 -5.539 2.533
108 HA LYS 18 HA LYS 18 -0.166 -4.424 0.647
109 HB2 LYS 18 1HB LYS 18 0.345 -7.186 1.753
110 HB3 LYS 18 2HB LYS 18 -1.250 -6.743 1.146
111 HG2 LYS 18 1HG LYS 18 -0.411 -6.221 -1.048
112 HG3 LYS 18 2HG LYS 18 1.270 -6.356 -0.509
113 HD2 LYS 18 1HD LYS 18 0.943 -8.756 -0.022
114 HD3 LYS 18 2HD LYS 18 -0.744 -8.643 -0.577
115 HE2 LYS 18 1HE LYS 18 0.048 -7.937 -2.826
116 HE3 LYS 18 2HE LYS 18 1.725 -8.028 -2.271
117 HZ1 LYS 18 3HZ LYS 18 1.076 -10.049 -3.451
118 HZ2 LYS 18 1HZ LYS 18 -0.145 -10.337 -2.410
119 HZ3 LYS 18 2HZ LYS 18 1.405 -10.416 -1.897
120 H PHE 19 H PHE 19 -2.189 -3.997 1.215
121 HA PHE 19 HA PHE 19 -2.903 -3.711 4.098
122 HB2 PHE 19 1HB PHE 19 -2.949 -1.567 1.938
123 HB3 PHE 19 2HB PHE 19 -3.542 -1.354 3.572
124 HD1 PHE 19 2HD PHE 19 -1.884 -1.598 5.534
125 HD2 PHE 19 1HD PHE 19 -0.614 -1.357 1.426
126 HE1 PHE 19 2HE PHE 19 0.408 -1.000 6.279
127 HE2 PHE 19 1HE PHE 19 1.676 -0.772 2.170
128 HZ PHE 19 HZ PHE 19 2.195 -0.598 4.596
129 H LYS 20 H LYS 20 -5.118 -3.419 4.555
130 HA LYS 20 HA LYS 20 -6.890 -4.849 2.697
131 HB2 LYS 20 1HB LYS 20 -8.386 -5.068 4.571
132 HB3 LYS 20 2HB LYS 20 -6.746 -5.512 5.034
133 HG2 LYS 20 1HG LYS 20 -6.455 -3.332 6.186
134 HG3 LYS 20 2HG LYS 20 -8.049 -2.812 5.631
135 HD2 LYS 20 1HD LYS 20 -8.202 -3.486 7.936
136 HD3 LYS 20 2HD LYS 20 -9.111 -4.630 6.937
137 HE2 LYS 20 1HE LYS 20 -7.210 -6.232 7.041
138 HE3 LYS 20 2HE LYS 20 -6.280 -5.071 8.001
139 HZ1 LYS 20 3HZ LYS 20 -7.370 -6.723 9.410
140 HZ2 LYS 20 1HZ LYS 20 -8.846 -6.316 8.845
141 HZ3 LYS 20 2HZ LYS 20 -7.985 -5.248 9.736
142 H SER 21 H SER 21 -6.311 -1.564 3.116
143 HA SER 21 HA SER 21 -8.746 -0.835 1.617
144 HB2 SER 21 1HB SER 21 -9.496 -0.643 3.935
145 HB3 SER 21 2HB SER 21 -8.086 0.349 4.342
146 HG SER 21 HG SER 21 -10.069 1.536 3.881
147 H LYS 22 H LYS 22 -8.607 1.142 0.555
148 HA LYS 22 HA LYS 22 -6.024 2.071 -0.283
149 HB2 LYS 22 1HB LYS 22 -8.428 2.247 -1.403
150 HB3 LYS 22 2HB LYS 22 -8.521 3.768 -0.505
151 HG2 LYS 22 1HG LYS 22 -6.309 4.419 -1.575
152 HG3 LYS 22 2HG LYS 22 -6.416 2.966 -2.568
153 HD2 LYS 22 1HD LYS 22 -8.433 5.259 -2.526
154 HD3 LYS 22 2HD LYS 22 -7.177 5.012 -3.745
155 HE2 LYS 22 1HE LYS 22 -8.204 2.829 -4.364
156 HE3 LYS 22 2HE LYS 22 -9.482 3.094 -3.170
157 HZ1 LYS 22 3HZ LYS 22 -10.145 5.081 -4.418
158 HZ2 LYS 22 1HZ LYS 22 -10.195 3.770 -5.387
159 HZ3 LYS 22 2HZ LYS 22 -8.967 4.833 -5.524
160 H GLY 23 H GLY 23 -8.250 3.209 2.237
161 HA2 GLY 23 1HA GLY 23 -6.893 5.668 2.898
162 HA3 GLY 23 2HA GLY 23 -7.981 4.746 3.946
163 H THR 24 H THR 24 -6.524 2.300 4.092
164 HA THR 24 HA THR 24 -4.487 2.889 6.037
165 HB THR 24 HB THR 24 -4.926 0.245 4.605
166 HG1 THR 24 1HG THR 24 -6.302 -0.151 6.439
167 HG21 THR 24 3HG2 THR 24 -3.958 0.900 7.427
168 HG22 THR 24 1HG2 THR 24 -2.906 0.425 6.082
169 HG23 THR 24 2HG2 THR 24 -4.105 -0.721 6.703
170 H LEU 25 H LEU 25 -4.302 1.735 2.608
171 HA LEU 25 HA LEU 25 -1.455 1.714 2.433
172 HB2 LEU 25 1HB LEU 25 -2.828 0.610 0.796
173 HB3 LEU 25 2HB LEU 25 -3.703 2.093 0.435
174 HG LEU 25 HG LEU 25 -1.597 3.075 -0.533
175 HD11 LEU 25 1HD1 LEU 25 0.270 1.535 -1.066
176 HD12 LEU 25 2HD1 LEU 25 -0.517 0.253 -0.134
177 HD13 LEU 25 3HD1 LEU 25 0.080 1.715 0.681
178 HD21 LEU 25 3HD2 LEU 25 -2.320 0.430 -1.806
179 HD22 LEU 25 1HD2 LEU 25 -1.688 1.881 -2.596
180 HD23 LEU 25 2HD2 LEU 25 -3.323 1.900 -1.901
181 H LYS 26 H LYS 26 -3.801 4.387 1.786
182 HA LYS 26 HA LYS 26 -1.879 6.350 1.024
183 HB2 LYS 26 1HB LYS 26 -4.286 6.562 0.642
184 HB3 LYS 26 2HB LYS 26 -4.594 6.658 2.381
185 HG2 LYS 26 1HG LYS 26 -3.270 8.730 2.538
186 HG3 LYS 26 2HG LYS 26 -2.879 8.645 0.822
187 HD2 LYS 26 1HD LYS 26 -5.669 8.940 2.022
188 HD3 LYS 26 2HD LYS 26 -4.711 10.270 1.381
189 HE2 LYS 26 1HE LYS 26 -5.707 7.888 -0.255
190 HE3 LYS 26 2HE LYS 26 -6.515 9.451 -0.151
191 HZ1 LYS 26 3HZ LYS 26 -4.533 10.487 -1.113
192 HZ2 LYS 26 1HZ LYS 26 -5.127 9.352 -2.118
193 HZ3 LYS 26 2HZ LYS 26 -3.783 9.038 -1.248
194 H SER 27 H SER 27 -3.216 5.637 4.260
195 HA SER 27 HA SER 27 -1.681 7.501 5.756
196 HB2 SER 27 1HB SER 27 -2.685 4.757 6.608
197 HB3 SER 27 2HB SER 27 -2.113 6.038 7.688
198 HG SER 27 HG SER 27 -4.405 6.042 6.006
199 H HIS 28 H HIS 28 -0.698 4.446 4.350
200 HA HIS 28 HA HIS 28 1.888 4.383 5.778
201 HB2 HIS 28 1HB HIS 28 0.882 2.262 5.339
202 HB3 HIS 28 2HB HIS 28 0.622 2.641 3.640
203 HD1 HIS 28 1HD HIS 28 3.584 1.949 6.028
204 HD2 HIS 28 2HD HIS 28 2.573 2.180 1.953
205 HE1 HIS 28 1HE HIS 28 5.645 1.185 4.762
206 H LYS 29 H LYS 29 0.743 5.090 2.427
207 HA LYS 29 HA LYS 29 3.336 5.614 1.348
208 HB2 LYS 29 1HB LYS 29 0.520 6.345 0.485
209 HB3 LYS 29 2HB LYS 29 1.941 6.939 -0.388
210 HG2 LYS 29 1HG LYS 29 2.764 4.581 -0.591
211 HG3 LYS 29 2HG LYS 29 1.232 4.010 0.080
212 HD2 LYS 29 1HD LYS 29 -0.007 4.841 -1.813
213 HD3 LYS 29 2HD LYS 29 1.363 5.834 -2.357
214 HE2 LYS 29 1HE LYS 29 2.703 3.749 -2.700
215 HE3 LYS 29 2HE LYS 29 1.271 2.788 -2.333
216 HZ1 LYS 29 3HZ LYS 29 0.220 3.627 -4.304
217 HZ2 LYS 29 1HZ LYS 29 1.768 3.255 -4.750
218 HZ3 LYS 29 2HZ LYS 29 1.345 4.803 -4.516
219 H LEU 30 H LEU 30 1.249 7.776 3.173
220 HA LEU 30 HA LEU 30 2.662 10.212 2.752
221 HB2 LEU 30 1HB LEU 30 1.236 9.038 5.170
222 HB3 LEU 30 2HB LEU 30 1.897 10.668 5.174
223 HG LEU 30 HG LEU 30 -0.191 9.730 3.162
224 HD11 LEU 30 1HD1 LEU 30 -1.038 9.687 5.484
225 HD12 LEU 30 2HD1 LEU 30 -1.792 10.979 4.535
226 HD13 LEU 30 3HD1 LEU 30 -0.510 11.366 5.710
227 HD21 LEU 30 3HD2 LEU 30 -0.527 12.164 2.821
228 HD22 LEU 30 1HD2 LEU 30 1.093 11.647 2.345
229 HD23 LEU 30 2HD2 LEU 30 0.855 12.495 3.890
230 H LEU 31 H LEU 31 3.674 7.379 4.575
231 HA LEU 31 HA LEU 31 5.815 8.728 6.026
232 HB2 LEU 31 1HB LEU 31 5.463 5.755 5.520
233 HB3 LEU 31 2HB LEU 31 6.440 6.509 6.764
234 HG LEU 31 HG LEU 31 3.391 6.608 6.630
235 HD11 LEU 31 1HD1 LEU 31 3.479 5.109 8.559
236 HD12 LEU 31 2HD1 LEU 31 5.257 5.075 8.479
237 HD13 LEU 31 3HD1 LEU 31 4.286 4.379 7.162
238 HD21 LEU 31 3HD2 LEU 31 4.271 8.614 7.751
239 HD22 LEU 31 1HD2 LEU 31 5.314 7.602 8.778
240 HD23 LEU 31 2HD2 LEU 31 3.543 7.517 8.928
241 H HIS 32 H HIS 32 5.584 7.520 2.786
242 HA HIS 32 HA HIS 32 8.511 7.221 2.446
243 HB2 HIS 32 1HB HIS 32 6.134 6.811 0.605
244 HB3 HIS 32 2HB HIS 32 7.796 6.734 0.050
245 HD1 HIS 32 1HD HIS 32 9.368 4.783 1.362
246 HD2 HIS 32 2HD HIS 32 5.185 4.480 1.297
247 HE1 HIS 32 1HE HIS 32 8.850 2.330 1.743
248 H THR 33 H THR 33 6.559 9.908 2.611
249 HA THR 33 HA THR 33 8.247 11.471 0.714
250 HB THR 33 HB THR 33 6.148 10.816 -0.407
251 HG1 THR 33 1HG THR 33 5.741 12.871 -1.153
252 HG21 THR 33 3HG2 THR 33 4.572 10.841 1.490
253 HG22 THR 33 1HG2 THR 33 4.032 11.901 0.183
254 HG23 THR 33 2HG2 THR 33 4.763 12.602 1.644
255 H ALA 34 H ALA 34 7.898 13.858 0.975
256 HA ALA 34 HA ALA 34 7.263 14.820 3.668
257 HB1 ALA 34 1HB ALA 34 9.576 13.967 3.954
258 HB2 ALA 34 2HB ALA 34 10.117 14.962 2.584
259 HB3 ALA 34 3HB ALA 34 9.528 15.733 4.073
260 H ASP 35 H ASP 35 7.302 17.157 3.821
261 HA ASP 35 HA ASP 35 6.414 18.469 1.380
262 HB2 ASP 35 1HB ASP 35 6.814 19.475 4.223
263 HB3 ASP 35 2HB ASP 35 6.089 20.417 2.923
264 H GLY 36 H GLY 36 9.510 18.188 2.830
265 HA2 GLY 36 1HA GLY 36 11.597 18.991 2.200
266 HA3 GLY 36 2HA GLY 36 10.843 19.834 0.847
Start of MODEL 4
1 H1 GLY 1 1H GLY 1 7.507 -16.817 -12.010
2 H2 GLY 1 2H GLY 1 7.672 -17.898 -10.790
3 H3 GLY 1 3H GLY 1 8.796 -16.725 -11.004
4 HA2 GLY 1 1HA GLY 1 5.986 -16.294 -10.211
5 HA3 GLY 1 2HA GLY 1 7.392 -16.171 -9.136
6 H SER 2 H SER 2 6.989 -14.003 -8.637
7 HA SER 2 HA SER 2 7.030 -11.746 -8.808
8 HB2 SER 2 1HB SER 2 9.272 -12.331 -10.762
9 HB3 SER 2 2HB SER 2 9.041 -10.840 -9.827
10 HG SER 2 HG SER 2 10.528 -12.277 -8.819
11 H SER 3 H SER 3 5.000 -12.744 -10.512
12 HA SER 3 HA SER 3 4.842 -10.658 -12.651
13 HB2 SER 3 1HB SER 3 4.137 -13.604 -12.963
14 HB3 SER 3 2HB SER 3 3.863 -12.335 -14.164
15 HG SER 3 HG SER 3 6.364 -13.269 -13.163
16 H GLY 4 H GLY 4 2.736 -10.086 -13.326
17 HA2 GLY 4 1HA GLY 4 0.445 -9.772 -13.182
18 HA3 GLY 4 2HA GLY 4 0.327 -11.117 -12.057
19 H SER 5 H SER 5 -1.335 -9.413 -11.347
20 HA SER 5 HA SER 5 -0.335 -7.985 -8.967
21 HB2 SER 5 1HB SER 5 -1.474 -5.894 -9.572
22 HB3 SER 5 2HB SER 5 -0.186 -6.283 -10.719
23 HG SER 5 HG SER 5 -2.103 -5.622 -11.788
24 H SER 6 H SER 6 -2.156 -7.157 -7.612
25 HA SER 6 HA SER 6 -4.481 -9.032 -7.683
26 HB2 SER 6 1HB SER 6 -3.113 -9.182 -5.686
27 HB3 SER 6 2HB SER 6 -3.334 -7.448 -5.369
28 HG SER 6 HG SER 6 -4.825 -9.237 -4.420
29 H GLY 7 H GLY 7 -6.493 -8.358 -7.862
30 HA2 GLY 7 1HA GLY 7 -7.176 -5.462 -8.022
31 HA3 GLY 7 2HA GLY 7 -8.190 -6.824 -8.504
32 H LYS 8 H LYS 8 -6.976 -7.754 -5.575
33 HA LYS 8 HA LYS 8 -9.336 -6.681 -4.063
34 HB2 LYS 8 1HB LYS 8 -9.675 -8.902 -3.132
35 HB3 LYS 8 2HB LYS 8 -9.779 -8.919 -4.893
36 HG2 LYS 8 1HG LYS 8 -7.512 -9.867 -5.041
37 HG3 LYS 8 2HG LYS 8 -7.373 -9.831 -3.268
38 HD2 LYS 8 1HD LYS 8 -9.307 -11.364 -3.075
39 HD3 LYS 8 2HD LYS 8 -9.494 -11.365 -4.848
40 HE2 LYS 8 1HE LYS 8 -7.198 -12.241 -5.083
41 HE3 LYS 8 2HE LYS 8 -7.019 -12.257 -3.321
42 HZ1 LYS 8 3HZ LYS 8 -7.638 -14.458 -4.168
43 HZ2 LYS 8 1HZ LYS 8 -8.999 -13.873 -4.848
44 HZ3 LYS 8 2HZ LYS 8 -8.837 -13.887 -3.221
45 H THR 9 H THR 9 -5.981 -6.842 -3.941
46 HA THR 9 HA THR 9 -6.051 -6.053 -1.051
47 HB THR 9 HB THR 9 -3.656 -7.401 -2.345
48 HG1 THR 9 1HG THR 9 -5.394 -8.868 -2.198
49 HG21 THR 9 3HG2 THR 9 -3.049 -7.807 0.043
50 HG22 THR 9 1HG2 THR 9 -4.432 -6.815 0.548
51 HG23 THR 9 2HG2 THR 9 -3.093 -6.086 -0.368
52 H HIS 10 H HIS 10 -4.952 -4.182 -0.530
53 HA HIS 10 HA HIS 10 -4.096 -2.476 -2.795
54 HB2 HIS 10 1HB HIS 10 -4.512 -1.855 0.150
55 HB3 HIS 10 2HB HIS 10 -4.113 -0.688 -1.102
56 HD1 HIS 10 1HD HIS 10 -6.104 0.057 -2.744
57 HD2 HIS 10 2HD HIS 10 -7.052 -2.900 0.094
58 HE1 HIS 10 1HE HIS 10 -8.649 -0.120 -2.717
59 H LEU 11 H LEU 11 -1.965 -1.768 -3.088
60 HA LEU 11 HA LEU 11 0.126 -3.080 -1.396
61 HB2 LEU 11 1HB LEU 11 -0.323 -4.535 -3.201
62 HB3 LEU 11 2HB LEU 11 -0.381 -3.209 -4.369
63 HG LEU 11 HG LEU 11 2.088 -2.874 -4.073
64 HD11 LEU 11 1HD1 LEU 11 1.913 -5.507 -2.542
65 HD12 LEU 11 2HD1 LEU 11 2.369 -3.943 -1.838
66 HD13 LEU 11 3HD1 LEU 11 3.401 -4.691 -3.058
67 HD21 LEU 11 3HD2 LEU 11 2.709 -4.865 -5.371
68 HD22 LEU 11 1HD2 LEU 11 1.168 -4.191 -5.923
69 HD23 LEU 11 2HD2 LEU 11 1.180 -5.653 -4.906
70 H CYS 12 H CYS 12 1.856 -1.997 -0.927
71 HA CYS 12 HA CYS 12 2.385 0.736 -1.794
72 HB2 CYS 12 1HB CYS 12 2.869 -0.123 0.482
73 HB3 CYS 12 2HB CYS 12 4.017 -1.277 -0.208
74 H ASP 13 H ASP 13 3.326 1.216 -3.682
75 HA ASP 13 HA ASP 13 4.811 -0.762 -5.265
76 HB2 ASP 13 1HB ASP 13 3.202 0.874 -6.226
77 HB3 ASP 13 2HB ASP 13 4.282 2.189 -5.755
78 H MET 14 H MET 14 5.680 1.083 -2.641
79 HA MET 14 HA MET 14 8.366 1.893 -3.653
80 HB2 MET 14 1HB MET 14 6.860 2.752 -1.170
81 HB3 MET 14 2HB MET 14 8.359 3.429 -1.782
82 HG2 MET 14 1HG MET 14 7.168 4.144 -3.848
83 HG3 MET 14 2HG MET 14 5.658 3.523 -3.166
84 HE1 MET 14 3HE MET 14 4.895 7.261 -2.912
85 HE2 MET 14 1HE MET 14 5.655 6.336 -4.233
86 HE3 MET 14 2HE MET 14 4.292 5.639 -3.322
87 H CYS 15 H CYS 15 6.860 0.060 -0.997
88 HA CYS 15 HA CYS 15 9.472 -1.273 -0.543
89 HB2 CYS 15 1HB CYS 15 9.284 -1.278 1.805
90 HB3 CYS 15 2HB CYS 15 9.259 0.367 1.199
91 H GLY 16 H GLY 16 6.356 -1.754 -1.493
92 HA2 GLY 16 1HA GLY 16 5.516 -3.772 -2.288
93 HA3 GLY 16 2HA GLY 16 6.827 -4.626 -1.495
94 H LYS 17 H LYS 17 5.096 -2.739 0.755
95 HA LYS 17 HA LYS 17 3.956 -5.088 2.066
96 HB2 LYS 17 1HB LYS 17 3.865 -2.116 2.732
97 HB3 LYS 17 2HB LYS 17 3.230 -3.393 3.777
98 HG2 LYS 17 1HG LYS 17 5.477 -4.410 3.956
99 HG3 LYS 17 2HG LYS 17 6.123 -3.193 2.841
100 HD2 LYS 17 1HD LYS 17 5.462 -1.402 4.469
101 HD3 LYS 17 2HD LYS 17 4.949 -2.656 5.599
102 HE2 LYS 17 1HE LYS 17 7.185 -1.819 6.153
103 HE3 LYS 17 2HE LYS 17 7.241 -3.533 5.735
104 HZ1 LYS 17 3HZ LYS 17 8.164 -2.989 3.614
105 HZ2 LYS 17 1HZ LYS 17 9.016 -2.098 4.689
106 HZ3 LYS 17 2HZ LYS 17 7.852 -1.402 3.748
107 H LYS 18 H LYS 18 1.897 -5.612 2.474
108 HA LYS 18 HA LYS 18 -0.170 -4.531 0.612
109 HB2 LYS 18 1HB LYS 18 0.414 -7.258 1.753
110 HB3 LYS 18 2HB LYS 18 -1.224 -6.856 1.250
111 HG2 LYS 18 1HG LYS 18 -0.545 -6.365 -1.010
112 HG3 LYS 18 2HG LYS 18 1.169 -6.444 -0.582
113 HD2 LYS 18 1HD LYS 18 0.944 -8.846 -0.036
114 HD3 LYS 18 2HD LYS 18 -0.779 -8.789 -0.473
115 HE2 LYS 18 1HE LYS 18 -0.167 -8.104 -2.783
116 HE3 LYS 18 2HE LYS 18 1.546 -8.136 -2.344
117 HZ1 LYS 18 3HZ LYS 18 0.879 -10.201 -3.439
118 HZ2 LYS 18 1HZ LYS 18 -0.258 -10.502 -2.308
119 HZ3 LYS 18 2HZ LYS 18 1.325 -10.524 -1.905
120 H PHE 19 H PHE 19 -2.156 -4.003 1.225
121 HA PHE 19 HA PHE 19 -2.801 -3.708 4.123
122 HB2 PHE 19 1HB PHE 19 -2.867 -1.575 1.953
123 HB3 PHE 19 2HB PHE 19 -3.459 -1.354 3.590
124 HD1 PHE 19 2HD PHE 19 -1.827 -1.567 5.555
125 HD2 PHE 19 1HD PHE 19 -0.516 -1.418 1.453
126 HE1 PHE 19 2HE PHE 19 0.471 -1.009 6.310
127 HE2 PHE 19 1HE PHE 19 1.777 -0.872 2.210
128 HZ PHE 19 HZ PHE 19 2.281 -0.679 4.638
129 H LYS 20 H LYS 20 -4.951 -3.333 4.663
130 HA LYS 20 HA LYS 20 -6.848 -4.870 3.089
131 HB2 LYS 20 1HB LYS 20 -8.248 -4.756 5.030
132 HB3 LYS 20 2HB LYS 20 -6.591 -5.084 5.535
133 HG2 LYS 20 1HG LYS 20 -6.340 -2.611 6.075
134 HG3 LYS 20 2HG LYS 20 -8.054 -2.402 5.726
135 HD2 LYS 20 1HD LYS 20 -6.837 -4.188 7.875
136 HD3 LYS 20 2HD LYS 20 -7.590 -2.623 8.151
137 HE2 LYS 20 1HE LYS 20 -9.025 -5.097 7.070
138 HE3 LYS 20 2HE LYS 20 -9.020 -4.584 8.756
139 HZ1 LYS 20 3HZ LYS 20 -10.107 -2.510 8.075
140 HZ2 LYS 20 1HZ LYS 20 -11.007 -3.799 7.649
141 HZ3 LYS 20 2HZ LYS 20 -10.155 -3.000 6.514
142 H SER 21 H SER 21 -6.234 -1.507 3.175
143 HA SER 21 HA SER 21 -8.586 -0.945 1.487
144 HB2 SER 21 1HB SER 21 -9.506 -0.570 3.701
145 HB3 SER 21 2HB SER 21 -8.121 0.433 4.156
146 HG SER 21 HG SER 21 -10.077 1.577 3.453
147 H LYS 22 H LYS 22 -8.401 0.949 0.289
148 HA LYS 22 HA LYS 22 -5.799 2.011 -0.364
149 HB2 LYS 22 1HB LYS 22 -7.105 3.753 -1.605
150 HB3 LYS 22 2HB LYS 22 -7.453 2.095 -2.063
151 HG2 LYS 22 1HG LYS 22 -9.554 2.124 -0.775
152 HG3 LYS 22 2HG LYS 22 -9.199 3.764 -0.207
153 HD2 LYS 22 1HD LYS 22 -9.261 4.590 -2.546
154 HD3 LYS 22 2HD LYS 22 -9.606 2.942 -3.116
155 HE2 LYS 22 1HE LYS 22 -11.687 2.911 -1.752
156 HE3 LYS 22 2HE LYS 22 -11.344 4.552 -1.188
157 HZ1 LYS 22 3HZ LYS 22 -12.898 4.564 -3.054
158 HZ2 LYS 22 1HZ LYS 22 -11.836 3.794 -4.022
159 HZ3 LYS 22 2HZ LYS 22 -11.519 5.310 -3.501
160 H GLY 23 H GLY 23 -8.197 2.974 2.034
161 HA2 GLY 23 1HA GLY 23 -7.030 5.540 2.720
162 HA3 GLY 23 2HA GLY 23 -8.088 4.544 3.731
163 H THR 24 H THR 24 -6.635 2.219 4.071
164 HA THR 24 HA THR 24 -4.636 2.838 6.007
165 HB THR 24 HB THR 24 -4.883 0.217 4.491
166 HG1 THR 24 1HG THR 24 -6.364 1.069 6.752
167 HG21 THR 24 3HG2 THR 24 -2.985 0.391 6.082
168 HG22 THR 24 1HG2 THR 24 -4.199 -0.783 6.623
169 HG23 THR 24 2HG2 THR 24 -4.114 0.827 7.378
170 H LEU 25 H LEU 25 -4.314 1.746 2.579
171 HA LEU 25 HA LEU 25 -1.464 1.800 2.509
172 HB2 LEU 25 1HB LEU 25 -2.739 0.608 0.856
173 HB3 LEU 25 2HB LEU 25 -3.631 2.057 0.412
174 HG LEU 25 HG LEU 25 -1.536 3.066 -0.508
175 HD11 LEU 25 1HD1 LEU 25 0.143 1.812 0.845
176 HD12 LEU 25 2HD1 LEU 25 0.437 1.646 -0.883
177 HD13 LEU 25 3HD1 LEU 25 -0.324 0.317 0.008
178 HD21 LEU 25 3HD2 LEU 25 -1.453 1.696 -2.505
179 HD22 LEU 25 1HD2 LEU 25 -3.123 1.821 -1.915
180 HD23 LEU 25 2HD2 LEU 25 -2.180 0.335 -1.635
181 H LYS 26 H LYS 26 -3.856 4.442 1.797
182 HA LYS 26 HA LYS 26 -1.928 6.361 0.963
183 HB2 LYS 26 1HB LYS 26 -4.330 6.635 0.634
184 HB3 LYS 26 2HB LYS 26 -4.594 6.787 2.380
185 HG2 LYS 26 1HG LYS 26 -3.215 8.825 2.445
186 HG3 LYS 26 2HG LYS 26 -2.855 8.669 0.723
187 HD2 LYS 26 1HD LYS 26 -5.632 9.097 1.922
188 HD3 LYS 26 2HD LYS 26 -4.599 10.372 1.257
189 HE2 LYS 26 1HE LYS 26 -4.618 9.219 -0.959
190 HE3 LYS 26 2HE LYS 26 -5.715 7.997 -0.302
191 HZ1 LYS 26 3HZ LYS 26 -6.322 10.901 -0.500
192 HZ2 LYS 26 1HZ LYS 26 -7.335 9.775 0.114
193 HZ3 LYS 26 2HZ LYS 26 -6.936 9.742 -1.468
194 H SER 27 H SER 27 -3.222 5.784 4.264
195 HA SER 27 HA SER 27 -1.553 7.601 5.658
196 HB2 SER 27 1HB SER 27 -2.706 4.939 6.560
197 HB3 SER 27 2HB SER 27 -1.973 6.149 7.633
198 HG SER 27 HG SER 27 -4.262 6.371 7.505
199 H HIS 28 H HIS 28 -0.685 4.513 4.247
200 HA HIS 28 HA HIS 28 1.915 4.398 5.649
201 HB2 HIS 28 1HB HIS 28 0.826 2.302 5.253
202 HB3 HIS 28 2HB HIS 28 0.611 2.650 3.539
203 HD1 HIS 28 1HD HIS 28 3.471 1.856 6.009
204 HD2 HIS 28 2HD HIS 28 2.616 2.181 1.903
205 HE1 HIS 28 1HE HIS 28 5.548 1.034 4.805
206 H LYS 29 H LYS 29 0.749 5.097 2.301
207 HA LYS 29 HA LYS 29 3.310 5.544 1.127
208 HB2 LYS 29 1HB LYS 29 0.511 6.503 0.446
209 HB3 LYS 29 2HB LYS 29 1.922 7.004 -0.492
210 HG2 LYS 29 1HG LYS 29 2.513 4.660 -0.953
211 HG3 LYS 29 2HG LYS 29 1.096 4.103 -0.044
212 HD2 LYS 29 1HD LYS 29 -0.417 5.183 -1.624
213 HD3 LYS 29 2HD LYS 29 0.942 5.976 -2.440
214 HE2 LYS 29 1HE LYS 29 1.849 3.757 -3.096
215 HE3 LYS 29 2HE LYS 29 0.446 2.977 -2.360
216 HZ1 LYS 29 3HZ LYS 29 0.115 3.283 -4.742
217 HZ2 LYS 29 1HZ LYS 29 0.343 4.893 -4.630
218 HZ3 LYS 29 2HZ LYS 29 -0.969 4.206 -3.942
219 H LEU 30 H LEU 30 1.298 7.775 2.991
220 HA LEU 30 HA LEU 30 2.808 10.155 2.599
221 HB2 LEU 30 1HB LEU 30 1.219 9.073 4.958
222 HB3 LEU 30 2HB LEU 30 1.918 10.689 4.959
223 HG LEU 30 HG LEU 30 -0.070 9.745 2.847
224 HD11 LEU 30 1HD1 LEU 30 -1.723 11.060 4.099
225 HD12 LEU 30 2HD1 LEU 30 -0.507 11.428 5.347
226 HD13 LEU 30 3HD1 LEU 30 -1.064 9.760 5.105
227 HD21 LEU 30 3HD2 LEU 30 0.984 12.506 3.589
228 HD22 LEU 30 1HD2 LEU 30 -0.335 12.178 2.438
229 HD23 LEU 30 2HD2 LEU 30 1.303 11.622 2.078
230 H LEU 31 H LEU 31 3.645 7.330 4.516
231 HA LEU 31 HA LEU 31 5.703 8.639 6.101
232 HB2 LEU 31 1HB LEU 31 5.402 5.677 5.500
233 HB3 LEU 31 2HB LEU 31 6.304 6.404 6.818
234 HG LEU 31 HG LEU 31 3.271 6.495 6.509
235 HD11 LEU 31 1HD1 LEU 31 3.251 4.947 8.402
236 HD12 LEU 31 2HD1 LEU 31 5.030 4.928 8.435
237 HD13 LEU 31 3HD1 LEU 31 4.152 4.256 7.042
238 HD21 LEU 31 3HD2 LEU 31 5.057 7.446 8.792
239 HD22 LEU 31 1HD2 LEU 31 3.280 7.347 8.834
240 HD23 LEU 31 2HD2 LEU 31 4.069 8.476 7.728
241 H HIS 32 H HIS 32 5.685 7.459 2.834
242 HA HIS 32 HA HIS 32 8.617 7.168 2.668
243 HB2 HIS 32 1HB HIS 32 6.372 6.882 0.645
244 HB3 HIS 32 2HB HIS 32 8.072 6.727 0.236
245 HD1 HIS 32 1HD HIS 32 9.414 4.702 1.733
246 HD2 HIS 32 2HD HIS 32 5.271 4.570 1.076
247 HE1 HIS 32 1HE HIS 32 8.760 2.264 1.969
248 H THR 33 H THR 33 6.718 9.885 2.810
249 HA THR 33 HA THR 33 8.565 11.488 1.115
250 HB THR 33 HB THR 33 6.598 10.876 -0.242
251 HG1 THR 33 1HG THR 33 6.263 12.951 -0.963
252 HG21 THR 33 3HG2 THR 33 4.427 11.944 0.157
253 HG22 THR 33 1HG2 THR 33 4.995 12.582 1.715
254 HG23 THR 33 2HG2 THR 33 4.827 10.828 1.469
255 H ALA 34 H ALA 34 8.144 13.883 1.409
256 HA ALA 34 HA ALA 34 7.181 14.736 4.036
257 HB1 ALA 34 1HB ALA 34 9.345 15.726 4.719
258 HB2 ALA 34 2HB ALA 34 9.465 13.962 4.583
259 HB3 ALA 34 3HB ALA 34 10.134 15.000 3.302
260 H ASP 35 H ASP 35 6.917 16.998 4.207
261 HA ASP 35 HA ASP 35 6.636 18.435 1.661
262 HB2 ASP 35 1HB ASP 35 5.406 20.054 2.909
263 HB3 ASP 35 2HB ASP 35 4.835 18.449 3.340
264 H GLY 36 H GLY 36 7.384 20.614 1.341
265 HA2 GLY 36 1HA GLY 36 9.295 22.035 2.843
266 HA3 GLY 36 2HA GLY 36 10.205 20.981 1.759
Start of MODEL 5
1 H1 GLY 1 1H GLY 1 11.848 -17.513 -8.002
2 H2 GLY 1 2H GLY 1 13.005 -16.442 -7.556
3 H3 GLY 1 3H GLY 1 12.150 -16.200 -8.934
4 HA2 GLY 1 1HA GLY 1 11.037 -16.138 -6.204
5 HA3 GLY 1 2HA GLY 1 11.384 -14.712 -7.198
6 H SER 2 H SER 2 8.819 -15.744 -6.049
7 HA SER 2 HA SER 2 7.156 -16.797 -8.125
8 HB2 SER 2 1HB SER 2 6.371 -15.228 -5.641
9 HB3 SER 2 2HB SER 2 5.299 -16.238 -6.630
10 HG SER 2 HG SER 2 6.096 -17.357 -4.779
11 H SER 3 H SER 3 5.501 -15.845 -9.345
12 HA SER 3 HA SER 3 5.959 -13.127 -10.308
13 HB2 SER 3 1HB SER 3 5.227 -15.072 -11.733
14 HB3 SER 3 2HB SER 3 3.636 -14.971 -10.952
15 HG SER 3 HG SER 3 3.778 -13.767 -12.931
16 H GLY 4 H GLY 4 4.269 -11.474 -10.394
17 HA2 GLY 4 1HA GLY 4 3.276 -10.803 -7.779
18 HA3 GLY 4 2HA GLY 4 2.969 -9.916 -9.267
19 H SER 5 H SER 5 1.305 -10.955 -6.865
20 HA SER 5 HA SER 5 -1.149 -11.482 -8.383
21 HB2 SER 5 1HB SER 5 -0.139 -13.754 -8.012
22 HB3 SER 5 2HB SER 5 -0.224 -13.465 -6.264
23 HG SER 5 HG SER 5 -2.055 -14.619 -7.113
24 H SER 6 H SER 6 -3.057 -11.160 -7.108
25 HA SER 6 HA SER 6 -2.832 -10.152 -4.354
26 HB2 SER 6 1HB SER 6 -2.255 -8.173 -5.716
27 HB3 SER 6 2HB SER 6 -3.779 -8.340 -6.611
28 HG SER 6 HG SER 6 -3.832 -6.841 -4.809
29 H GLY 7 H GLY 7 -4.672 -10.398 -3.216
30 HA2 GLY 7 1HA GLY 7 -7.081 -11.612 -4.458
31 HA3 GLY 7 2HA GLY 7 -6.705 -11.505 -2.735
32 H LYS 8 H LYS 8 -6.896 -9.082 -5.363
33 HA LYS 8 HA LYS 8 -7.666 -6.958 -5.453
34 HB2 LYS 8 1HB LYS 8 -9.843 -8.357 -5.304
35 HB3 LYS 8 2HB LYS 8 -10.007 -7.682 -3.681
36 HG2 LYS 8 1HG LYS 8 -9.853 -5.365 -4.725
37 HG3 LYS 8 2HG LYS 8 -9.827 -6.134 -6.312
38 HD2 LYS 8 1HD LYS 8 -12.077 -6.360 -4.261
39 HD3 LYS 8 2HD LYS 8 -12.066 -5.281 -5.663
40 HE2 LYS 8 1HE LYS 8 -11.911 -7.254 -7.178
41 HE3 LYS 8 2HE LYS 8 -11.971 -8.330 -5.777
42 HZ1 LYS 8 3HZ LYS 8 -14.167 -8.056 -6.767
43 HZ2 LYS 8 1HZ LYS 8 -14.126 -6.440 -6.560
44 HZ3 LYS 8 2HZ LYS 8 -14.177 -7.431 -5.260
45 H THR 9 H THR 9 -5.737 -7.574 -3.527
46 HA THR 9 HA THR 9 -6.190 -5.963 -1.114
47 HB THR 9 HB THR 9 -3.574 -7.233 -1.982
48 HG1 THR 9 1HG THR 9 -4.303 -9.074 -0.793
49 HG21 THR 9 3HG2 THR 9 -4.861 -6.690 0.730
50 HG22 THR 9 1HG2 THR 9 -3.427 -5.892 0.042
51 HG23 THR 9 2HG2 THR 9 -3.357 -7.600 0.490
52 H HIS 10 H HIS 10 -5.001 -4.051 -0.590
53 HA HIS 10 HA HIS 10 -4.042 -2.469 -2.903
54 HB2 HIS 10 1HB HIS 10 -4.518 -1.780 0.019
55 HB3 HIS 10 2HB HIS 10 -3.839 -0.672 -1.159
56 HD1 HIS 10 1HD HIS 10 -5.498 0.363 -2.978
57 HD2 HIS 10 2HD HIS 10 -7.174 -2.461 -0.349
58 HE1 HIS 10 1HE HIS 10 -8.018 0.511 -3.291
59 H LEU 11 H LEU 11 -1.894 -1.720 -3.120
60 HA LEU 11 HA LEU 11 0.169 -3.110 -1.469
61 HB2 LEU 11 1HB LEU 11 -0.274 -4.530 -3.315
62 HB3 LEU 11 2HB LEU 11 -0.276 -3.183 -4.459
63 HG LEU 11 HG LEU 11 2.184 -2.890 -4.096
64 HD11 LEU 11 1HD1 LEU 11 3.457 -4.695 -3.029
65 HD12 LEU 11 2HD1 LEU 11 1.957 -5.516 -2.563
66 HD13 LEU 11 3HD1 LEU 11 2.385 -3.950 -1.844
67 HD21 LEU 11 3HD2 LEU 11 1.298 -5.677 -4.937
68 HD22 LEU 11 1HD2 LEU 11 2.835 -4.885 -5.366
69 HD23 LEU 11 2HD2 LEU 11 1.305 -4.226 -5.966
70 H CYS 12 H CYS 12 1.877 -2.026 -0.964
71 HA CYS 12 HA CYS 12 2.411 0.714 -1.834
72 HB2 CYS 12 1HB CYS 12 2.753 -0.161 0.487
73 HB3 CYS 12 2HB CYS 12 4.008 -1.236 -0.135
74 H ASP 13 H ASP 13 3.346 1.085 -3.788
75 HA ASP 13 HA ASP 13 5.132 -0.869 -5.055
76 HB2 ASP 13 1HB ASP 13 5.180 0.656 -6.914
77 HB3 ASP 13 2HB ASP 13 3.524 0.371 -6.399
78 H MET 14 H MET 14 5.634 1.251 -2.556
79 HA MET 14 HA MET 14 8.337 2.171 -3.384
80 HB2 MET 14 1HB MET 14 6.857 2.616 -0.794
81 HB3 MET 14 2HB MET 14 8.315 3.417 -1.303
82 HG2 MET 14 1HG MET 14 5.628 3.682 -2.724
83 HG3 MET 14 2HG MET 14 6.166 4.724 -1.420
84 HE1 MET 14 3HE MET 14 5.118 6.063 -3.869
85 HE2 MET 14 1HE MET 14 5.863 6.872 -2.473
86 HE3 MET 14 2HE MET 14 6.361 7.312 -4.127
87 H CYS 15 H CYS 15 6.816 0.088 -0.883
88 HA CYS 15 HA CYS 15 9.460 -1.155 -0.350
89 HB2 CYS 15 1HB CYS 15 9.179 -1.157 1.968
90 HB3 CYS 15 2HB CYS 15 9.054 0.483 1.359
91 H GLY 16 H GLY 16 6.332 -1.775 -1.357
92 HA2 GLY 16 1HA GLY 16 5.645 -3.827 -2.211
93 HA3 GLY 16 2HA GLY 16 6.937 -4.629 -1.334
94 H LYS 17 H LYS 17 5.099 -2.765 0.816
95 HA LYS 17 HA LYS 17 3.915 -5.120 2.085
96 HB2 LYS 17 1HB LYS 17 3.826 -2.153 2.766
97 HB3 LYS 17 2HB LYS 17 3.154 -3.430 3.785
98 HG2 LYS 17 1HG LYS 17 5.395 -4.461 4.018
99 HG3 LYS 17 2HG LYS 17 6.071 -3.237 2.930
100 HD2 LYS 17 1HD LYS 17 5.340 -1.459 4.562
101 HD3 LYS 17 2HD LYS 17 4.846 -2.739 5.672
102 HE2 LYS 17 1HE LYS 17 7.058 -1.858 6.255
103 HE3 LYS 17 2HE LYS 17 7.159 -3.564 5.814
104 HZ1 LYS 17 3HZ LYS 17 8.093 -2.976 3.716
105 HZ2 LYS 17 1HZ LYS 17 8.903 -2.060 4.801
106 HZ3 LYS 17 2HZ LYS 17 7.725 -1.402 3.851
107 H LYS 18 H LYS 18 1.862 -5.687 2.366
108 HA LYS 18 HA LYS 18 -0.163 -4.510 0.537
109 HB2 LYS 18 1HB LYS 18 0.354 -7.259 1.649
110 HB3 LYS 18 2HB LYS 18 -1.284 -6.811 1.188
111 HG2 LYS 18 1HG LYS 18 -0.619 -6.273 -1.076
112 HG3 LYS 18 2HG LYS 18 1.097 -6.479 -0.678
113 HD2 LYS 18 1HD LYS 18 0.794 -8.846 -0.262
114 HD3 LYS 18 2HD LYS 18 -0.967 -8.709 -0.470
115 HE2 LYS 18 1HE LYS 18 -0.667 -8.023 -2.820
116 HE3 LYS 18 2HE LYS 18 1.091 -8.091 -2.643
117 HZ1 LYS 18 3HZ LYS 18 -0.687 -10.444 -2.279
118 HZ2 LYS 18 1HZ LYS 18 0.947 -10.463 -2.301
119 HZ3 LYS 18 2HZ LYS 18 0.105 -10.118 -3.667
120 H PHE 19 H PHE 19 -2.134 -3.930 1.110
121 HA PHE 19 HA PHE 19 -2.859 -3.663 3.993
122 HB2 PHE 19 1HB PHE 19 -2.837 -1.498 1.854
123 HB3 PHE 19 2HB PHE 19 -3.484 -1.294 3.472
124 HD1 PHE 19 2HD PHE 19 -1.921 -1.589 5.490
125 HD2 PHE 19 1HD PHE 19 -0.474 -1.324 1.439
126 HE1 PHE 19 2HE PHE 19 0.357 -1.088 6.337
127 HE2 PHE 19 1HE PHE 19 1.801 -0.850 2.289
128 HZ PHE 19 HZ PHE 19 2.229 -0.734 4.736
129 H LYS 20 H LYS 20 -5.049 -3.407 4.483
130 HA LYS 20 HA LYS 20 -6.822 -4.894 2.746
131 HB2 LYS 20 1HB LYS 20 -6.682 -5.112 5.227
132 HB3 LYS 20 2HB LYS 20 -7.330 -3.484 5.401
133 HG2 LYS 20 1HG LYS 20 -9.023 -5.151 5.846
134 HG3 LYS 20 2HG LYS 20 -9.480 -4.205 4.435
135 HD2 LYS 20 1HD LYS 20 -8.730 -6.043 2.942
136 HD3 LYS 20 2HD LYS 20 -8.214 -6.994 4.339
137 HE2 LYS 20 1HE LYS 20 -11.071 -6.045 3.813
138 HE3 LYS 20 2HE LYS 20 -10.445 -7.623 3.334
139 HZ1 LYS 20 3HZ LYS 20 -10.640 -6.662 6.137
140 HZ2 LYS 20 1HZ LYS 20 -10.022 -8.109 5.686
141 HZ3 LYS 20 2HZ LYS 20 -11.599 -7.780 5.442
142 H SER 21 H SER 21 -6.349 -1.484 3.177
143 HA SER 21 HA SER 21 -8.608 -0.861 1.347
144 HB2 SER 21 1HB SER 21 -9.540 -0.657 3.601
145 HB3 SER 21 2HB SER 21 -8.208 0.409 4.082
146 HG SER 21 HG SER 21 -10.193 1.496 3.436
147 H LYS 22 H LYS 22 -8.456 1.130 0.297
148 HA LYS 22 HA LYS 22 -5.852 2.081 -0.418
149 HB2 LYS 22 1HB LYS 22 -8.217 2.250 -1.636
150 HB3 LYS 22 2HB LYS 22 -8.344 3.771 -0.749
151 HG2 LYS 22 1HG LYS 22 -6.176 4.503 -1.759
152 HG3 LYS 22 2HG LYS 22 -6.083 2.974 -2.645
153 HD2 LYS 22 1HD LYS 22 -8.203 3.520 -3.818
154 HD3 LYS 22 2HD LYS 22 -8.300 5.055 -2.925
155 HE2 LYS 22 1HE LYS 22 -6.126 5.757 -3.906
156 HE3 LYS 22 2HE LYS 22 -6.029 4.232 -4.794
157 HZ1 LYS 22 3HZ LYS 22 -6.918 6.013 -6.186
158 HZ2 LYS 22 1HZ LYS 22 -8.152 6.283 -5.157
159 HZ3 LYS 22 2HZ LYS 22 -8.064 4.873 -5.979
160 H GLY 23 H GLY 23 -8.190 3.221 1.997
161 HA2 GLY 23 1HA GLY 23 -6.857 5.676 2.710
162 HA3 GLY 23 2HA GLY 23 -7.997 4.770 3.711
163 H THR 24 H THR 24 -6.497 2.304 3.872
164 HA THR 24 HA THR 24 -4.571 2.897 5.937
165 HB THR 24 HB THR 24 -4.900 0.267 4.454
166 HG1 THR 24 1HG THR 24 -6.364 -0.178 6.208
167 HG21 THR 24 3HG2 THR 24 -4.176 -0.711 6.584
168 HG22 THR 24 1HG2 THR 24 -4.082 0.906 7.324
169 HG23 THR 24 2HG2 THR 24 -2.962 0.451 6.025
170 H LEU 25 H LEU 25 -4.220 1.759 2.518
171 HA LEU 25 HA LEU 25 -1.373 1.770 2.439
172 HB2 LEU 25 1HB LEU 25 -2.690 0.685 0.736
173 HB3 LEU 25 2HB LEU 25 -3.552 2.174 0.368
174 HG LEU 25 HG LEU 25 -1.441 3.179 -0.520
175 HD11 LEU 25 1HD1 LEU 25 0.226 1.861 0.743
176 HD12 LEU 25 2HD1 LEU 25 0.471 1.680 -0.998
177 HD13 LEU 25 3HD1 LEU 25 -0.316 0.380 -0.080
178 HD21 LEU 25 3HD2 LEU 25 -3.084 2.001 -1.959
179 HD22 LEU 25 1HD2 LEU 25 -2.093 0.524 -1.811
180 HD23 LEU 25 2HD2 LEU 25 -1.421 1.970 -2.585
181 H LYS 26 H LYS 26 -3.717 4.413 1.711
182 HA LYS 26 HA LYS 26 -1.837 6.445 1.069
183 HB2 LYS 26 1HB LYS 26 -4.239 6.657 0.653
184 HB3 LYS 26 2HB LYS 26 -4.588 6.573 2.380
185 HG2 LYS 26 1HG LYS 26 -3.352 8.707 2.742
186 HG3 LYS 26 2HG LYS 26 -2.975 8.768 1.019
187 HD2 LYS 26 1HD LYS 26 -4.835 10.259 1.456
188 HD3 LYS 26 2HD LYS 26 -5.399 8.900 0.492
189 HE2 LYS 26 1HE LYS 26 -7.068 9.392 2.139
190 HE3 LYS 26 2HE LYS 26 -6.347 7.837 2.542
191 HZ1 LYS 26 3HZ LYS 26 -5.029 8.969 4.262
192 HZ2 LYS 26 1HZ LYS 26 -6.610 9.284 4.494
193 HZ3 LYS 26 2HZ LYS 26 -5.651 10.425 3.840
194 H SER 27 H SER 27 -3.240 5.630 4.262
195 HA SER 27 HA SER 27 -1.773 7.555 5.771
196 HB2 SER 27 1HB SER 27 -2.868 4.861 6.672
197 HB3 SER 27 2HB SER 27 -2.356 6.191 7.727
198 HG SER 27 HG SER 27 -4.548 6.086 5.930
199 H HIS 28 H HIS 28 -0.787 4.437 4.527
200 HA HIS 28 HA HIS 28 1.715 4.312 6.076
201 HB2 HIS 28 1HB HIS 28 0.732 2.225 5.503
202 HB3 HIS 28 2HB HIS 28 0.517 2.679 3.819
203 HD1 HIS 28 1HD HIS 28 3.415 1.802 6.224
204 HD2 HIS 28 2HD HIS 28 2.464 2.201 2.148
205 HE1 HIS 28 1HE HIS 28 5.444 0.955 4.956
206 H LYS 29 H LYS 29 0.791 5.188 2.703
207 HA LYS 29 HA LYS 29 3.445 5.660 1.786
208 HB2 LYS 29 1HB LYS 29 0.691 6.445 0.816
209 HB3 LYS 29 2HB LYS 29 2.126 7.151 0.056
210 HG2 LYS 29 1HG LYS 29 3.061 4.907 -0.350
211 HG3 LYS 29 2HG LYS 29 1.610 4.156 0.335
212 HD2 LYS 29 1HD LYS 29 0.233 4.977 -1.463
213 HD3 LYS 29 2HD LYS 29 1.498 6.101 -2.007
214 HE2 LYS 29 1HE LYS 29 2.985 4.178 -2.526
215 HE3 LYS 29 2HE LYS 29 1.697 3.058 -2.083
216 HZ1 LYS 29 3HZ LYS 29 1.456 5.088 -4.242
217 HZ2 LYS 29 1HZ LYS 29 0.393 3.876 -3.934
218 HZ3 LYS 29 2HZ LYS 29 1.908 3.547 -4.498
219 H LEU 30 H LEU 30 1.528 7.747 3.767
220 HA LEU 30 HA LEU 30 2.926 10.200 3.436
221 HB2 LEU 30 1HB LEU 30 1.763 8.866 5.913
222 HB3 LEU 30 2HB LEU 30 2.306 10.541 5.873
223 HG LEU 30 HG LEU 30 0.098 9.454 4.078
224 HD11 LEU 30 1HD1 LEU 30 -0.127 11.072 6.637
225 HD12 LEU 30 2HD1 LEU 30 -0.491 9.341 6.476
226 HD13 LEU 30 3HD1 LEU 30 -1.464 10.529 5.588
227 HD21 LEU 30 3HD2 LEU 30 1.153 11.464 3.154
228 HD22 LEU 30 1HD2 LEU 30 0.980 12.297 4.715
229 HD23 LEU 30 2HD2 LEU 30 -0.458 11.845 3.769
230 H LEU 31 H LEU 31 4.066 7.209 4.844
231 HA LEU 31 HA LEU 31 6.414 8.367 6.152
232 HB2 LEU 31 1HB LEU 31 5.812 5.488 5.383
233 HB3 LEU 31 2HB LEU 31 7.066 6.027 6.486
234 HG LEU 31 HG LEU 31 4.065 6.330 6.982
235 HD11 LEU 31 1HD1 LEU 31 4.835 3.993 7.046
236 HD12 LEU 31 2HD1 LEU 31 4.394 4.577 8.660
237 HD13 LEU 31 3HD1 LEU 31 6.109 4.435 8.206
238 HD21 LEU 31 3HD2 LEU 31 6.455 6.891 8.793
239 HD22 LEU 31 1HD2 LEU 31 4.750 6.897 9.296
240 HD23 LEU 31 2HD2 LEU 31 5.324 8.098 8.135
241 H HIS 32 H HIS 32 5.686 7.538 2.870
242 HA HIS 32 HA HIS 32 8.570 7.342 2.114
243 HB2 HIS 32 1HB HIS 32 6.055 6.725 0.528
244 HB3 HIS 32 2HB HIS 32 7.705 6.553 -0.053
245 HD1 HIS 32 1HD HIS 32 9.213 4.751 1.738
246 HD2 HIS 32 2HD HIS 32 5.082 4.434 1.093
247 HE1 HIS 32 1HE HIS 32 8.621 2.330 2.235
248 H THR 33 H THR 33 5.672 9.386 1.644
249 HA THR 33 HA THR 33 6.733 10.915 -0.537
250 HB THR 33 HB THR 33 4.939 12.577 0.081
251 HG1 THR 33 1HG THR 33 4.844 12.042 2.314
252 HG21 THR 33 3HG2 THR 33 4.066 9.669 -0.204
253 HG22 THR 33 1HG2 THR 33 4.505 10.769 -1.528
254 HG23 THR 33 2HG2 THR 33 3.074 11.104 -0.540
255 H ALA 34 H ALA 34 7.797 12.829 -0.690
256 HA ALA 34 HA ALA 34 9.404 13.652 1.593
257 HB1 ALA 34 1HB ALA 34 10.536 15.047 -0.081
258 HB2 ALA 34 2HB ALA 34 10.323 13.391 -0.678
259 HB3 ALA 34 3HB ALA 34 9.262 14.694 -1.267
260 H ASP 35 H ASP 35 6.413 14.785 0.287
261 HA ASP 35 HA ASP 35 5.116 16.594 0.552
262 HB2 ASP 35 1HB ASP 35 5.151 15.550 2.815
263 HB3 ASP 35 2HB ASP 35 6.351 16.741 3.315
264 H GLY 36 H GLY 36 7.480 17.214 -0.820
265 HA2 GLY 36 1HA GLY 36 7.326 20.001 -1.156
266 HA3 GLY 36 2HA GLY 36 8.683 19.713 -0.065
Start of MODEL 6
1 H1 GLY 1 1H GLY 1 -17.291 -10.938 -14.933
2 H2 GLY 1 2H GLY 1 -16.082 -10.047 -14.275
3 H3 GLY 1 3H GLY 1 -16.624 -11.388 -13.506
4 HA2 GLY 1 1HA GLY 1 -15.814 -12.812 -15.265
5 HA3 GLY 1 2HA GLY 1 -15.251 -11.363 -16.119
6 H SER 2 H SER 2 -13.793 -13.761 -15.003
7 HA SER 2 HA SER 2 -12.453 -13.223 -12.616
8 HB2 SER 2 1HB SER 2 -11.413 -14.828 -14.979
9 HB3 SER 2 2HB SER 2 -10.925 -14.996 -13.281
10 HG SER 2 HG SER 2 -12.505 -16.555 -13.887
11 H SER 3 H SER 3 -11.690 -11.838 -15.742
12 HA SER 3 HA SER 3 -8.965 -11.057 -15.132
13 HB2 SER 3 1HB SER 3 -10.876 -9.926 -17.207
14 HB3 SER 3 2HB SER 3 -9.113 -9.768 -17.194
15 HG SER 3 HG SER 3 -8.946 -12.017 -17.491
16 H GLY 4 H GLY 4 -11.911 -9.815 -13.935
17 HA2 GLY 4 1HA GLY 4 -11.389 -6.993 -13.935
18 HA3 GLY 4 2HA GLY 4 -12.537 -7.845 -12.912
19 H SER 5 H SER 5 -10.849 -5.599 -12.219
20 HA SER 5 HA SER 5 -8.742 -6.581 -10.432
21 HB2 SER 5 1HB SER 5 -8.340 -4.164 -10.055
22 HB3 SER 5 2HB SER 5 -8.302 -4.629 -11.763
23 HG SER 5 HG SER 5 -9.533 -2.713 -11.408
24 H SER 6 H SER 6 -12.068 -6.215 -10.026
25 HA SER 6 HA SER 6 -12.375 -4.937 -7.563
26 HB2 SER 6 1HB SER 6 -14.009 -7.267 -8.637
27 HB3 SER 6 2HB SER 6 -14.523 -6.093 -7.410
28 HG SER 6 HG SER 6 -15.290 -5.541 -9.505
29 H GLY 7 H GLY 7 -12.246 -5.465 -5.452
30 HA2 GLY 7 1HA GLY 7 -12.033 -6.669 -3.509
31 HA3 GLY 7 2HA GLY 7 -12.239 -8.159 -4.425
32 H LYS 8 H LYS 8 -9.601 -6.552 -5.791
33 HA LYS 8 HA LYS 8 -7.666 -8.366 -4.573
34 HB2 LYS 8 1HB LYS 8 -7.321 -6.086 -6.560
35 HB3 LYS 8 2HB LYS 8 -6.027 -7.161 -6.023
36 HG2 LYS 8 1HG LYS 8 -7.294 -9.130 -6.894
37 HG3 LYS 8 2HG LYS 8 -8.568 -8.048 -7.461
38 HD2 LYS 8 1HD LYS 8 -7.207 -8.588 -9.341
39 HD3 LYS 8 2HD LYS 8 -6.885 -6.894 -8.930
40 HE2 LYS 8 1HE LYS 8 -4.801 -7.570 -7.760
41 HE3 LYS 8 2HE LYS 8 -5.150 -9.269 -8.101
42 HZ1 LYS 8 3HZ LYS 8 -4.639 -7.188 -10.163
43 HZ2 LYS 8 1HZ LYS 8 -4.962 -8.760 -10.479
44 HZ3 LYS 8 2HZ LYS 8 -3.585 -8.348 -9.709
45 H THR 9 H THR 9 -5.852 -7.896 -3.373
46 HA THR 9 HA THR 9 -6.148 -6.070 -1.226
47 HB THR 9 HB THR 9 -3.505 -7.308 -2.058
48 HG1 THR 9 1HG THR 9 -4.208 -9.184 -1.012
49 HG21 THR 9 3HG2 THR 9 -4.830 -6.779 0.644
50 HG22 THR 9 1HG2 THR 9 -3.397 -5.961 -0.022
51 HG23 THR 9 2HG2 THR 9 -3.313 -7.671 0.419
52 H HIS 10 H HIS 10 -5.035 -4.157 -0.646
53 HA HIS 10 HA HIS 10 -4.084 -2.491 -2.891
54 HB2 HIS 10 1HB HIS 10 -4.453 -1.837 0.056
55 HB3 HIS 10 2HB HIS 10 -4.086 -0.696 -1.226
56 HD1 HIS 10 1HD HIS 10 -6.119 0.067 -2.794
57 HD2 HIS 10 2HD HIS 10 -7.006 -2.835 0.118
58 HE1 HIS 10 1HE HIS 10 -8.663 -0.031 -2.636
59 H LEU 11 H LEU 11 -1.937 -1.612 -3.011
60 HA LEU 11 HA LEU 11 0.142 -3.016 -1.389
61 HB2 LEU 11 1HB LEU 11 -0.288 -4.430 -3.233
62 HB3 LEU 11 2HB LEU 11 -0.365 -3.075 -4.368
63 HG LEU 11 HG LEU 11 2.105 -2.726 -4.066
64 HD11 LEU 11 1HD1 LEU 11 1.942 -5.410 -2.625
65 HD12 LEU 11 2HD1 LEU 11 2.378 -3.866 -1.862
66 HD13 LEU 11 3HD1 LEU 11 3.425 -4.564 -3.103
67 HD21 LEU 11 3HD2 LEU 11 1.194 -3.986 -5.957
68 HD22 LEU 11 1HD2 LEU 11 1.211 -5.481 -4.989
69 HD23 LEU 11 2HD2 LEU 11 2.738 -4.670 -5.426
70 H CYS 12 H CYS 12 1.887 -1.940 -0.910
71 HA CYS 12 HA CYS 12 2.417 0.812 -1.729
72 HB2 CYS 12 1HB CYS 12 2.894 -0.058 0.536
73 HB3 CYS 12 2HB CYS 12 4.015 -1.237 -0.153
74 H ASP 13 H ASP 13 3.459 1.356 -3.553
75 HA ASP 13 HA ASP 13 4.857 -0.637 -5.203
76 HB2 ASP 13 1HB ASP 13 3.287 1.072 -6.109
77 HB3 ASP 13 2HB ASP 13 4.420 2.340 -5.630
78 H MET 14 H MET 14 5.812 1.098 -2.550
79 HA MET 14 HA MET 14 8.542 1.803 -3.555
80 HB2 MET 14 1HB MET 14 6.838 2.814 -1.263
81 HB3 MET 14 2HB MET 14 8.512 3.322 -1.554
82 HG2 MET 14 1HG MET 14 7.919 4.083 -3.799
83 HG3 MET 14 2HG MET 14 6.238 3.627 -3.567
84 HE1 MET 14 3HE MET 14 4.722 6.268 -1.286
85 HE2 MET 14 1HE MET 14 4.422 5.106 -2.596
86 HE3 MET 14 2HE MET 14 5.097 4.544 -1.052
87 H CYS 15 H CYS 15 6.917 0.058 -0.944
88 HA CYS 15 HA CYS 15 9.466 -1.386 -0.465
89 HB2 CYS 15 1HB CYS 15 9.253 -1.419 1.888
90 HB3 CYS 15 2HB CYS 15 9.292 0.240 1.317
91 H GLY 16 H GLY 16 6.340 -1.746 -1.446
92 HA2 GLY 16 1HA GLY 16 5.451 -3.727 -2.273
93 HA3 GLY 16 2HA GLY 16 6.754 -4.623 -1.515
94 H LYS 17 H LYS 17 5.126 -2.764 0.814
95 HA LYS 17 HA LYS 17 3.915 -5.088 2.090
96 HB2 LYS 17 1HB LYS 17 3.857 -2.114 2.759
97 HB3 LYS 17 2HB LYS 17 3.177 -3.379 3.789
98 HG2 LYS 17 1HG LYS 17 5.397 -4.440 4.018
99 HG3 LYS 17 2HG LYS 17 6.092 -3.241 2.914
100 HD2 LYS 17 1HD LYS 17 5.425 -1.432 4.529
101 HD3 LYS 17 2HD LYS 17 4.875 -2.679 5.649
102 HE2 LYS 17 1HE LYS 17 7.110 -1.873 6.244
103 HE3 LYS 17 2HE LYS 17 7.151 -3.587 5.826
104 HZ1 LYS 17 3HZ LYS 17 7.824 -1.467 3.850
105 HZ2 LYS 17 1HZ LYS 17 8.124 -3.057 3.727
106 HZ3 LYS 17 2HZ LYS 17 8.963 -2.171 4.814
107 H LYS 18 H LYS 18 1.846 -5.609 2.423
108 HA LYS 18 HA LYS 18 -0.159 -4.449 0.548
109 HB2 LYS 18 1HB LYS 18 0.354 -7.224 1.608
110 HB3 LYS 18 2HB LYS 18 -1.245 -6.777 1.023
111 HG2 LYS 18 1HG LYS 18 -0.424 -6.200 -1.167
112 HG3 LYS 18 2HG LYS 18 1.260 -6.339 -0.640
113 HD2 LYS 18 1HD LYS 18 0.941 -8.757 -0.214
114 HD3 LYS 18 2HD LYS 18 -0.749 -8.631 -0.758
115 HE2 LYS 18 1HE LYS 18 0.031 -7.861 -2.990
116 HE3 LYS 18 2HE LYS 18 1.711 -7.966 -2.446
117 HZ1 LYS 18 3HZ LYS 18 1.058 -9.954 -3.680
118 HZ2 LYS 18 1HZ LYS 18 -0.159 -10.273 -2.640
119 HZ3 LYS 18 2HZ LYS 18 1.395 -10.364 -2.139
120 H PHE 19 H PHE 19 -2.179 -3.974 1.113
121 HA PHE 19 HA PHE 19 -2.865 -3.724 4.010
122 HB2 PHE 19 1HB PHE 19 -2.922 -1.556 1.876
123 HB3 PHE 19 2HB PHE 19 -3.536 -1.368 3.507
124 HD1 PHE 19 2HD PHE 19 -1.942 -1.554 5.486
125 HD2 PHE 19 1HD PHE 19 -0.559 -1.400 1.409
126 HE1 PHE 19 2HE PHE 19 0.341 -0.985 6.284
127 HE2 PHE 19 1HE PHE 19 1.719 -0.843 2.206
128 HZ PHE 19 HZ PHE 19 2.179 -0.648 4.643
129 H LYS 20 H LYS 20 -5.021 -3.550 4.553
130 HA LYS 20 HA LYS 20 -6.882 -4.887 2.740
131 HB2 LYS 20 1HB LYS 20 -8.323 -5.084 4.653
132 HB3 LYS 20 2HB LYS 20 -6.678 -5.528 5.094
133 HG2 LYS 20 1HG LYS 20 -6.363 -3.290 6.164
134 HG3 LYS 20 2HG LYS 20 -8.024 -2.854 5.720
135 HD2 LYS 20 1HD LYS 20 -8.887 -4.744 7.078
136 HD3 LYS 20 2HD LYS 20 -7.223 -5.182 7.522
137 HE2 LYS 20 1HE LYS 20 -6.917 -2.949 8.570
138 HE3 LYS 20 2HE LYS 20 -8.573 -2.510 8.128
139 HZ1 LYS 20 3HZ LYS 20 -7.832 -4.735 9.957
140 HZ2 LYS 20 1HZ LYS 20 -9.363 -4.330 9.548
141 HZ3 LYS 20 2HZ LYS 20 -8.450 -3.300 10.421
142 H SER 21 H SER 21 -6.211 -1.620 3.125
143 HA SER 21 HA SER 21 -8.620 -0.866 1.608
144 HB2 SER 21 1HB SER 21 -9.413 -0.562 3.878
145 HB3 SER 21 2HB SER 21 -7.959 0.352 4.313
146 HG SER 21 HG SER 21 -9.890 1.619 3.759
147 H LYS 22 H LYS 22 -8.377 0.946 0.387
148 HA LYS 22 HA LYS 22 -5.788 2.017 -0.276
149 HB2 LYS 22 1HB LYS 22 -7.081 3.722 -1.542
150 HB3 LYS 22 2HB LYS 22 -7.475 2.062 -1.952
151 HG2 LYS 22 1HG LYS 22 -9.526 2.220 -0.481
152 HG3 LYS 22 2HG LYS 22 -9.155 3.925 -0.227
153 HD2 LYS 22 1HD LYS 22 -9.765 2.581 -2.896
154 HD3 LYS 22 2HD LYS 22 -10.881 3.572 -1.946
155 HE2 LYS 22 1HE LYS 22 -9.326 5.521 -2.191
156 HE3 LYS 22 2HE LYS 22 -8.274 4.528 -3.213
157 HZ1 LYS 22 3HZ LYS 22 -11.098 5.215 -3.839
158 HZ2 LYS 22 1HZ LYS 22 -10.130 4.295 -4.780
159 HZ3 LYS 22 2HZ LYS 22 -9.787 5.873 -4.551
160 H GLY 23 H GLY 23 -8.169 2.986 2.133
161 HA2 GLY 23 1HA GLY 23 -7.034 5.583 2.759
162 HA3 GLY 23 2HA GLY 23 -8.073 4.592 3.793
163 H THR 24 H THR 24 -6.591 2.293 4.173
164 HA THR 24 HA THR 24 -4.571 2.992 6.063
165 HB THR 24 HB THR 24 -4.886 0.310 4.664
166 HG1 THR 24 1HG THR 24 -6.255 -0.122 6.486
167 HG21 THR 24 3HG2 THR 24 -4.054 -0.596 6.794
168 HG22 THR 24 1HG2 THR 24 -3.921 1.047 7.464
169 HG23 THR 24 2HG2 THR 24 -2.877 0.543 6.122
170 H LEU 25 H LEU 25 -4.290 1.811 2.655
171 HA LEU 25 HA LEU 25 -1.446 1.876 2.541
172 HB2 LEU 25 1HB LEU 25 -2.752 0.692 0.899
173 HB3 LEU 25 2HB LEU 25 -3.635 2.154 0.469
174 HG LEU 25 HG LEU 25 -1.566 3.151 -0.479
175 HD11 LEU 25 1HD1 LEU 25 0.146 1.944 0.863
176 HD12 LEU 25 2HD1 LEU 25 0.418 1.733 -0.864
177 HD13 LEU 25 3HD1 LEU 25 -0.324 0.424 0.077
178 HD21 LEU 25 3HD2 LEU 25 -1.490 1.765 -2.466
179 HD22 LEU 25 1HD2 LEU 25 -3.153 1.863 -1.855
180 HD23 LEU 25 2HD2 LEU 25 -2.175 0.399 -1.572
181 H LYS 26 H LYS 26 -3.849 4.515 1.831
182 HA LYS 26 HA LYS 26 -1.933 6.436 0.986
183 HB2 LYS 26 1HB LYS 26 -4.340 6.711 0.690
184 HB3 LYS 26 2HB LYS 26 -4.581 6.860 2.438
185 HG2 LYS 26 1HG LYS 26 -3.193 8.892 2.492
186 HG3 LYS 26 2HG LYS 26 -2.864 8.745 0.764
187 HD2 LYS 26 1HD LYS 26 -5.618 9.173 2.013
188 HD3 LYS 26 2HD LYS 26 -4.594 10.448 1.336
189 HE2 LYS 26 1HE LYS 26 -4.657 9.307 -0.885
190 HE3 LYS 26 2HE LYS 26 -5.745 8.084 -0.215
191 HZ1 LYS 26 3HZ LYS 26 -7.352 9.865 0.240
192 HZ2 LYS 26 1HZ LYS 26 -6.981 9.839 -1.349
193 HZ3 LYS 26 2HZ LYS 26 -6.346 10.991 -0.384
194 H SER 27 H SER 27 -3.178 5.857 4.307
195 HA SER 27 HA SER 27 -1.479 7.678 5.665
196 HB2 SER 27 1HB SER 27 -2.635 5.029 6.609
197 HB3 SER 27 2HB SER 27 -1.887 6.249 7.658
198 HG SER 27 HG SER 27 -4.176 6.475 7.553
199 H HIS 28 H HIS 28 -0.657 4.569 4.270
200 HA HIS 28 HA HIS 28 1.947 4.416 5.661
201 HB2 HIS 28 1HB HIS 28 0.803 2.339 5.237
202 HB3 HIS 28 2HB HIS 28 0.642 2.703 3.522
203 HD1 HIS 28 1HD HIS 28 3.424 1.843 6.060
204 HD2 HIS 28 2HD HIS 28 2.670 2.177 1.936
205 HE1 HIS 28 1HE HIS 28 5.508 0.970 4.904
206 H LYS 29 H LYS 29 0.762 5.209 2.351
207 HA LYS 29 HA LYS 29 3.326 5.628 1.157
208 HB2 LYS 29 1HB LYS 29 0.550 6.692 0.527
209 HB3 LYS 29 2HB LYS 29 1.972 7.111 -0.438
210 HG2 LYS 29 1HG LYS 29 2.419 4.715 -0.871
211 HG3 LYS 29 2HG LYS 29 0.972 4.266 0.040
212 HD2 LYS 29 1HD LYS 29 -0.462 5.450 -1.550
213 HD3 LYS 29 2HD LYS 29 0.960 6.102 -2.384
214 HE2 LYS 29 1HE LYS 29 1.671 3.795 -2.981
215 HE3 LYS 29 2HE LYS 29 0.195 3.168 -2.240
216 HZ1 LYS 29 3HZ LYS 29 0.283 5.035 -4.549
217 HZ2 LYS 29 1HZ LYS 29 -1.089 4.479 -3.861
218 HZ3 LYS 29 2HZ LYS 29 -0.083 3.450 -4.635
219 H LEU 30 H LEU 30 1.363 7.850 3.098
220 HA LEU 30 HA LEU 30 2.941 10.196 2.794
221 HB2 LEU 30 1HB LEU 30 1.368 9.091 5.152
222 HB3 LEU 30 2HB LEU 30 2.093 10.694 5.154
223 HG LEU 30 HG LEU 30 0.006 9.795 3.124
224 HD11 LEU 30 1HD1 LEU 30 -0.879 9.891 5.431
225 HD12 LEU 30 2HD1 LEU 30 -1.551 11.178 4.416
226 HD13 LEU 30 3HD1 LEU 30 -0.270 11.548 5.597
227 HD21 LEU 30 3HD2 LEU 30 -0.208 12.231 2.685
228 HD22 LEU 30 1HD2 LEU 30 1.386 11.612 2.245
229 HD23 LEU 30 2HD2 LEU 30 1.184 12.531 3.754
230 H LEU 31 H LEU 31 3.682 7.281 4.639
231 HA LEU 31 HA LEU 31 5.845 8.464 6.181
232 HB2 LEU 31 1HB LEU 31 5.428 5.530 5.521
233 HB3 LEU 31 2HB LEU 31 6.382 6.202 6.831
234 HG LEU 31 HG LEU 31 3.345 6.369 6.599
235 HD11 LEU 31 1HD1 LEU 31 3.336 4.792 8.465
236 HD12 LEU 31 2HD1 LEU 31 5.115 4.736 8.457
237 HD13 LEU 31 3HD1 LEU 31 4.193 4.105 7.075
238 HD21 LEU 31 3HD2 LEU 31 4.212 8.314 7.829
239 HD22 LEU 31 1HD2 LEU 31 5.201 7.247 8.853
240 HD23 LEU 31 2HD2 LEU 31 3.427 7.185 8.937
241 H HIS 32 H HIS 32 5.624 7.336 2.898
242 HA HIS 32 HA HIS 32 8.569 7.149 2.567
243 HB2 HIS 32 1HB HIS 32 6.251 6.773 0.640
244 HB3 HIS 32 2HB HIS 32 7.947 6.707 0.183
245 HD1 HIS 32 1HD HIS 32 9.421 4.675 1.397
246 HD2 HIS 32 2HD HIS 32 5.226 4.490 1.465
247 HE1 HIS 32 1HE HIS 32 8.848 2.250 1.855
248 H THR 33 H THR 33 5.898 9.440 1.858
249 HA THR 33 HA THR 33 7.656 11.187 0.287
250 HB THR 33 HB THR 33 5.757 12.725 0.215
251 HG1 THR 33 1HG THR 33 3.833 12.147 1.137
252 HG21 THR 33 3HG2 THR 33 5.924 10.878 -1.448
253 HG22 THR 33 1HG2 THR 33 4.248 11.339 -1.110
254 HG23 THR 33 2HG2 THR 33 4.917 9.855 -0.399
255 H ALA 34 H ALA 34 6.569 11.077 3.666
256 HA ALA 34 HA ALA 34 7.763 13.616 4.397
257 HB1 ALA 34 1HB ALA 34 5.957 12.562 5.701
258 HB2 ALA 34 2HB ALA 34 7.024 11.190 6.086
259 HB3 ALA 34 3HB ALA 34 7.404 12.815 6.696
260 H ASP 35 H ASP 35 9.697 13.983 5.578
261 HA ASP 35 HA ASP 35 11.967 12.378 4.718
262 HB2 ASP 35 1HB ASP 35 11.936 14.858 4.804
263 HB3 ASP 35 2HB ASP 35 11.801 14.790 6.561
264 H GLY 36 H GLY 36 10.084 12.528 7.664
265 HA2 GLY 36 1HA GLY 36 11.198 10.172 8.837
266 HA3 GLY 36 2HA GLY 36 11.908 11.586 9.617
Start of MODEL 7
1 H1 GLY 1 1H GLY 1 -6.973 -23.126 -9.559
2 H2 GLY 1 2H GLY 1 -8.217 -22.897 -8.517
3 H3 GLY 1 3H GLY 1 -6.774 -23.433 -7.961
4 HA2 GLY 1 1HA GLY 1 -5.702 -21.359 -8.535
5 HA3 GLY 1 2HA GLY 1 -7.259 -20.778 -9.152
6 H SER 2 H SER 2 -5.895 -19.344 -7.231
7 HA SER 2 HA SER 2 -6.620 -19.914 -4.527
8 HB2 SER 2 1HB SER 2 -5.934 -17.242 -5.806
9 HB3 SER 2 2HB SER 2 -5.911 -17.617 -4.072
10 HG SER 2 HG SER 2 -3.822 -17.783 -5.034
11 H SER 3 H SER 3 -8.144 -18.979 -3.140
12 HA SER 3 HA SER 3 -10.773 -18.573 -4.155
13 HB2 SER 3 1HB SER 3 -9.653 -17.887 -1.410
14 HB3 SER 3 2HB SER 3 -11.369 -18.057 -1.832
15 HG SER 3 HG SER 3 -10.504 -19.979 -0.904
16 H GLY 4 H GLY 4 -12.089 -16.765 -4.340
17 HA2 GLY 4 1HA GLY 4 -10.971 -14.357 -5.272
18 HA3 GLY 4 2HA GLY 4 -12.657 -14.588 -4.797
19 H SER 5 H SER 5 -11.979 -15.160 -1.960
20 HA SER 5 HA SER 5 -11.984 -12.579 -0.798
21 HB2 SER 5 1HB SER 5 -11.150 -15.204 0.495
22 HB3 SER 5 2HB SER 5 -11.732 -13.746 1.323
23 HG SER 5 HG SER 5 -13.403 -15.295 1.046
24 H SER 6 H SER 6 -9.241 -14.470 -1.860
25 HA SER 6 HA SER 6 -7.283 -12.904 -0.292
26 HB2 SER 6 1HB SER 6 -6.863 -15.105 -2.340
27 HB3 SER 6 2HB SER 6 -5.625 -14.386 -1.295
28 HG SER 6 HG SER 6 -6.429 -16.341 -0.418
29 H GLY 7 H GLY 7 -8.980 -12.312 -3.109
30 HA2 GLY 7 1HA GLY 7 -6.801 -11.044 -4.659
31 HA3 GLY 7 2HA GLY 7 -8.491 -11.201 -5.118
32 H LYS 8 H LYS 8 -7.505 -8.925 -5.697
33 HA LYS 8 HA LYS 8 -7.685 -6.669 -5.592
34 HB2 LYS 8 1HB LYS 8 -10.117 -7.249 -3.866
35 HB3 LYS 8 2HB LYS 8 -9.817 -5.777 -4.786
36 HG2 LYS 8 1HG LYS 8 -10.286 -8.517 -6.002
37 HG3 LYS 8 2HG LYS 8 -11.435 -7.183 -5.870
38 HD2 LYS 8 1HD LYS 8 -9.652 -5.772 -7.156
39 HD3 LYS 8 2HD LYS 8 -8.936 -7.327 -7.607
40 HE2 LYS 8 1HE LYS 8 -11.842 -6.514 -8.005
41 HE3 LYS 8 2HE LYS 8 -10.596 -6.331 -9.248
42 HZ1 LYS 8 3HZ LYS 8 -11.468 -8.928 -8.089
43 HZ2 LYS 8 1HZ LYS 8 -10.293 -8.754 -9.216
44 HZ3 LYS 8 2HZ LYS 8 -11.837 -8.384 -9.580
45 H THR 9 H THR 9 -6.066 -7.874 -3.334
46 HA THR 9 HA THR 9 -6.156 -6.082 -1.115
47 HB THR 9 HB THR 9 -3.599 -7.360 -2.126
48 HG1 THR 9 1HG THR 9 -4.262 -9.249 -1.098
49 HG21 THR 9 3HG2 THR 9 -3.386 -6.030 -0.078
50 HG22 THR 9 1HG2 THR 9 -3.258 -7.749 0.321
51 HG23 THR 9 2HG2 THR 9 -4.768 -6.877 0.655
52 H HIS 10 H HIS 10 -5.012 -4.166 -0.644
53 HA HIS 10 HA HIS 10 -4.088 -2.589 -2.971
54 HB2 HIS 10 1HB HIS 10 -4.426 -1.832 -0.047
55 HB3 HIS 10 2HB HIS 10 -3.994 -0.740 -1.354
56 HD1 HIS 10 1HD HIS 10 -5.973 0.075 -2.959
57 HD2 HIS 10 2HD HIS 10 -7.020 -2.750 -0.026
58 HE1 HIS 10 1HE HIS 10 -8.524 0.046 -2.871
59 H LEU 11 H LEU 11 -1.943 -1.829 -3.214
60 HA LEU 11 HA LEU 11 0.141 -3.142 -1.523
61 HB2 LEU 11 1HB LEU 11 -0.251 -4.632 -3.307
62 HB3 LEU 11 2HB LEU 11 -0.336 -3.328 -4.500
63 HG LEU 11 HG LEU 11 2.117 -2.925 -4.213
64 HD11 LEU 11 1HD1 LEU 11 2.032 -5.501 -2.584
65 HD12 LEU 11 2HD1 LEU 11 2.418 -3.895 -1.931
66 HD13 LEU 11 3HD1 LEU 11 3.487 -4.641 -3.120
67 HD21 LEU 11 3HD2 LEU 11 1.316 -5.773 -4.923
68 HD22 LEU 11 1HD2 LEU 11 2.810 -4.946 -5.426
69 HD23 LEU 11 2HD2 LEU 11 1.241 -4.364 -6.007
70 H CYS 12 H CYS 12 1.831 -2.006 -1.043
71 HA CYS 12 HA CYS 12 2.278 0.720 -2.021
72 HB2 CYS 12 1HB CYS 12 2.516 -0.157 0.370
73 HB3 CYS 12 2HB CYS 12 3.958 -1.006 -0.171
74 H ASP 13 H ASP 13 3.276 0.993 -3.965
75 HA ASP 13 HA ASP 13 5.122 -0.973 -5.077
76 HB2 ASP 13 1HB ASP 13 5.252 0.527 -6.970
77 HB3 ASP 13 2HB ASP 13 3.580 0.250 -6.507
78 H MET 14 H MET 14 5.555 1.324 -2.684
79 HA MET 14 HA MET 14 8.275 2.200 -3.414
80 HB2 MET 14 1HB MET 14 6.722 2.492 -0.839
81 HB3 MET 14 2HB MET 14 8.216 3.308 -1.223
82 HG2 MET 14 1HG MET 14 5.580 3.692 -2.711
83 HG3 MET 14 2HG MET 14 6.146 4.696 -1.386
84 HE1 MET 14 3HE MET 14 5.152 6.019 -3.919
85 HE2 MET 14 1HE MET 14 5.863 6.868 -2.529
86 HE3 MET 14 2HE MET 14 6.413 7.248 -4.179
87 H CYS 15 H CYS 15 6.783 -0.030 -1.045
88 HA CYS 15 HA CYS 15 9.461 -1.159 -0.373
89 HB2 CYS 15 1HB CYS 15 8.794 -1.332 1.929
90 HB3 CYS 15 2HB CYS 15 8.780 0.337 1.366
91 H GLY 16 H GLY 16 6.175 -1.859 -1.279
92 HA2 GLY 16 1HA GLY 16 5.525 -3.910 -2.229
93 HA3 GLY 16 2HA GLY 16 6.823 -4.747 -1.391
94 H LYS 17 H LYS 17 5.218 -2.816 0.878
95 HA LYS 17 HA LYS 17 3.901 -5.071 2.159
96 HB2 LYS 17 1HB LYS 17 3.877 -2.082 2.746
97 HB3 LYS 17 2HB LYS 17 3.086 -3.296 3.757
98 HG2 LYS 17 1HG LYS 17 5.262 -4.439 4.110
99 HG3 LYS 17 2HG LYS 17 6.071 -3.208 3.124
100 HD2 LYS 17 1HD LYS 17 5.245 -1.453 4.716
101 HD3 LYS 17 2HD LYS 17 4.600 -2.726 5.758
102 HE2 LYS 17 1HE LYS 17 7.526 -2.414 4.928
103 HE3 LYS 17 2HE LYS 17 6.848 -1.829 6.449
104 HZ1 LYS 17 3HZ LYS 17 6.956 -4.681 5.627
105 HZ2 LYS 17 1HZ LYS 17 6.289 -4.136 7.018
106 HZ3 LYS 17 2HZ LYS 17 7.891 -3.979 6.761
107 H LYS 18 H LYS 18 1.839 -5.578 2.429
108 HA LYS 18 HA LYS 18 -0.143 -4.437 0.515
109 HB2 LYS 18 1HB LYS 18 0.338 -7.201 1.629
110 HB3 LYS 18 2HB LYS 18 -1.244 -6.749 1.005
111 HG2 LYS 18 1HG LYS 18 -0.369 -6.219 -1.180
112 HG3 LYS 18 2HG LYS 18 1.301 -6.383 -0.615
113 HD2 LYS 18 1HD LYS 18 0.933 -8.780 -0.151
114 HD3 LYS 18 2HD LYS 18 -0.744 -8.639 -0.726
115 HE2 LYS 18 1HE LYS 18 0.086 -7.926 -2.960
116 HE3 LYS 18 2HE LYS 18 1.754 -8.048 -2.385
117 HZ1 LYS 18 3HZ LYS 18 -0.150 -10.325 -2.568
118 HZ2 LYS 18 1HZ LYS 18 1.391 -10.434 -2.037
119 HZ3 LYS 18 2HZ LYS 18 1.089 -10.046 -3.592
120 H PHE 19 H PHE 19 -2.168 -3.948 1.077
121 HA PHE 19 HA PHE 19 -2.876 -3.711 3.969
122 HB2 PHE 19 1HB PHE 19 -2.910 -1.527 1.854
123 HB3 PHE 19 2HB PHE 19 -3.554 -1.357 3.477
124 HD1 PHE 19 2HD PHE 19 -2.022 -1.452 5.475
125 HD2 PHE 19 1HD PHE 19 -0.510 -1.459 1.442
126 HE1 PHE 19 2HE PHE 19 0.238 -0.864 6.323
127 HE2 PHE 19 1HE PHE 19 1.748 -0.894 2.289
128 HZ PHE 19 HZ PHE 19 2.131 -0.602 4.730
129 H LYS 20 H LYS 20 -5.046 -3.455 4.481
130 HA LYS 20 HA LYS 20 -6.903 -4.869 2.742
131 HB2 LYS 20 1HB LYS 20 -6.642 -5.173 5.218
132 HB3 LYS 20 2HB LYS 20 -7.371 -3.578 5.459
133 HG2 LYS 20 1HG LYS 20 -9.485 -4.357 4.493
134 HG3 LYS 20 2HG LYS 20 -8.731 -5.873 3.976
135 HD2 LYS 20 1HD LYS 20 -10.089 -6.274 5.931
136 HD3 LYS 20 2HD LYS 20 -8.386 -6.517 6.344
137 HE2 LYS 20 1HE LYS 20 -8.314 -4.259 7.382
138 HE3 LYS 20 2HE LYS 20 -10.001 -3.988 6.922
139 HZ1 LYS 20 3HZ LYS 20 -9.063 -6.109 8.782
140 HZ2 LYS 20 1HZ LYS 20 -10.621 -5.856 8.361
141 HZ3 LYS 20 2HZ LYS 20 -9.817 -4.733 9.227
142 H SER 21 H SER 21 -6.240 -1.518 3.183
143 HA SER 21 HA SER 21 -8.506 -0.780 1.421
144 HB2 SER 21 1HB SER 21 -9.424 -0.446 3.639
145 HB3 SER 21 2HB SER 21 -7.995 0.472 4.142
146 HG SER 21 HG SER 21 -9.884 1.735 3.462
147 H LYS 22 H LYS 22 -8.186 1.025 0.202
148 HA LYS 22 HA LYS 22 -5.559 2.061 -0.346
149 HB2 LYS 22 1HB LYS 22 -6.783 3.807 -1.648
150 HB3 LYS 22 2HB LYS 22 -7.166 2.155 -2.094
151 HG2 LYS 22 1HG LYS 22 -9.302 2.271 -0.848
152 HG3 LYS 22 2HG LYS 22 -8.911 3.917 -0.322
153 HD2 LYS 22 1HD LYS 22 -8.889 4.670 -2.686
154 HD3 LYS 22 2HD LYS 22 -9.271 3.016 -3.214
155 HE2 LYS 22 1HE LYS 22 -11.385 3.093 -1.905
156 HE3 LYS 22 2HE LYS 22 -11.004 4.737 -1.379
157 HZ1 LYS 22 3HZ LYS 22 -12.510 4.744 -3.283
158 HZ2 LYS 22 1HZ LYS 22 -11.451 3.913 -4.201
159 HZ3 LYS 22 2HZ LYS 22 -11.098 5.433 -3.717
160 H GLY 23 H GLY 23 -8.023 3.071 1.964
161 HA2 GLY 23 1HA GLY 23 -6.897 5.656 2.632
162 HA3 GLY 23 2HA GLY 23 -7.967 4.667 3.638
163 H THR 24 H THR 24 -6.507 2.370 4.071
164 HA THR 24 HA THR 24 -4.545 3.074 6.019
165 HB THR 24 HB THR 24 -4.805 0.382 4.628
166 HG1 THR 24 1HG THR 24 -6.269 -0.043 6.373
167 HG21 THR 24 3HG2 THR 24 -2.873 0.645 6.184
168 HG22 THR 24 1HG2 THR 24 -4.074 -0.502 6.801
169 HG23 THR 24 2HG2 THR 24 -3.991 1.148 7.469
170 H LEU 25 H LEU 25 -4.162 1.837 2.645
171 HA LEU 25 HA LEU 25 -1.323 1.850 2.589
172 HB2 LEU 25 1HB LEU 25 -2.647 0.708 0.921
173 HB3 LEU 25 2HB LEU 25 -3.469 2.201 0.481
174 HG LEU 25 HG LEU 25 -1.338 3.120 -0.425
175 HD11 LEU 25 1HD1 LEU 25 0.277 1.780 0.933
176 HD12 LEU 25 2HD1 LEU 25 0.574 1.631 -0.799
177 HD13 LEU 25 3HD1 LEU 25 -0.243 0.318 0.066
178 HD21 LEU 25 3HD2 LEU 25 -2.963 1.937 -1.848
179 HD22 LEU 25 1HD2 LEU 25 -2.068 0.419 -1.578
180 HD23 LEU 25 2HD2 LEU 25 -1.294 1.772 -2.428
181 H LYS 26 H LYS 26 -3.647 4.531 1.837
182 HA LYS 26 HA LYS 26 -1.652 6.423 1.070
183 HB2 LYS 26 1HB LYS 26 -4.020 6.710 0.572
184 HB3 LYS 26 2HB LYS 26 -4.406 6.877 2.293
185 HG2 LYS 26 1HG LYS 26 -3.015 8.900 2.448
186 HG3 LYS 26 2HG LYS 26 -2.538 8.737 0.754
187 HD2 LYS 26 1HD LYS 26 -5.388 9.197 1.753
188 HD3 LYS 26 2HD LYS 26 -4.295 10.458 1.160
189 HE2 LYS 26 1HE LYS 26 -4.165 9.288 -1.047
190 HE3 LYS 26 2HE LYS 26 -5.330 8.091 -0.465
191 HZ1 LYS 26 3HZ LYS 26 -6.942 9.903 -0.179
192 HZ2 LYS 26 1HZ LYS 26 -6.429 9.848 -1.727
193 HZ3 LYS 26 2HZ LYS 26 -5.864 11.003 -0.725
194 H SER 27 H SER 27 -3.164 5.924 4.305
195 HA SER 27 HA SER 27 -1.578 7.797 5.726
196 HB2 SER 27 1HB SER 27 -2.818 5.179 6.655
197 HB3 SER 27 2HB SER 27 -2.132 6.414 7.730
198 HG SER 27 HG SER 27 -4.407 6.658 7.453
199 H HIS 28 H HIS 28 -0.716 4.599 4.574
200 HA HIS 28 HA HIS 28 1.808 4.467 6.089
201 HB2 HIS 28 1HB HIS 28 0.785 2.382 5.629
202 HB3 HIS 28 2HB HIS 28 0.515 2.772 3.937
203 HD1 HIS 28 1HD HIS 28 3.519 1.988 6.256
204 HD2 HIS 28 2HD HIS 28 2.363 2.160 2.218
205 HE1 HIS 28 1HE HIS 28 5.483 1.072 4.937
206 H LYS 29 H LYS 29 0.862 5.211 2.684
207 HA LYS 29 HA LYS 29 3.520 5.636 1.745
208 HB2 LYS 29 1HB LYS 29 0.765 6.364 0.742
209 HB3 LYS 29 2HB LYS 29 2.191 7.064 -0.037
210 HG2 LYS 29 1HG LYS 29 3.154 4.826 -0.382
211 HG3 LYS 29 2HG LYS 29 1.715 4.072 0.331
212 HD2 LYS 29 1HD LYS 29 0.321 4.814 -1.481
213 HD3 LYS 29 2HD LYS 29 1.557 5.955 -2.060
214 HE2 LYS 29 1HE LYS 29 3.080 4.069 -2.566
215 HE3 LYS 29 2HE LYS 29 1.846 2.916 -2.063
216 HZ1 LYS 29 3HZ LYS 29 1.979 3.365 -4.509
217 HZ2 LYS 29 1HZ LYS 29 1.463 4.885 -4.261
218 HZ3 LYS 29 2HZ LYS 29 0.468 3.630 -3.902
219 H LEU 30 H LEU 30 1.476 7.876 3.496
220 HA LEU 30 HA LEU 30 2.971 10.258 3.098
221 HB2 LEU 30 1HB LEU 30 1.527 9.159 5.531
222 HB3 LEU 30 2HB LEU 30 2.220 10.776 5.485
223 HG LEU 30 HG LEU 30 0.072 9.803 3.553
224 HD11 LEU 30 1HD1 LEU 30 -0.689 9.934 5.905
225 HD12 LEU 30 2HD1 LEU 30 -1.449 11.175 4.889
226 HD13 LEU 30 3HD1 LEU 30 -0.121 11.613 5.992
227 HD21 LEU 30 3HD2 LEU 30 -0.198 12.233 3.077
228 HD22 LEU 30 1HD2 LEU 30 1.376 11.623 2.565
229 HD23 LEU 30 2HD2 LEU 30 1.241 12.572 4.065
230 H LEU 31 H LEU 31 3.883 7.392 4.904
231 HA LEU 31 HA LEU 31 6.148 8.625 6.272
232 HB2 LEU 31 1HB LEU 31 5.620 5.680 5.757
233 HB3 LEU 31 2HB LEU 31 6.704 6.367 6.952
234 HG LEU 31 HG LEU 31 3.659 6.626 6.994
235 HD11 LEU 31 1HD1 LEU 31 5.548 4.972 8.714
236 HD12 LEU 31 2HD1 LEU 31 4.462 4.346 7.452
237 HD13 LEU 31 3HD1 LEU 31 3.784 5.102 8.904
238 HD21 LEU 31 3HD2 LEU 31 4.707 8.568 8.081
239 HD22 LEU 31 1HD2 LEU 31 5.753 7.492 9.036
240 HD23 LEU 31 2HD2 LEU 31 3.993 7.496 9.290
241 H HIS 32 H HIS 32 5.687 7.328 3.059
242 HA HIS 32 HA HIS 32 8.604 7.129 2.531
243 HB2 HIS 32 1HB HIS 32 6.204 6.721 0.708
244 HB3 HIS 32 2HB HIS 32 7.886 6.530 0.239
245 HD1 HIS 32 1HD HIS 32 9.198 4.582 2.046
246 HD2 HIS 32 2HD HIS 32 5.133 4.419 1.031
247 HE1 HIS 32 1HE HIS 32 8.509 2.158 2.358
248 H THR 33 H THR 33 5.786 9.154 1.558
249 HA THR 33 HA THR 33 7.536 11.478 1.225
250 HB THR 33 HB THR 33 7.748 10.356 -0.962
251 HG1 THR 33 1HG THR 33 7.300 12.204 -2.131
252 HG21 THR 33 3HG2 THR 33 4.788 10.955 -1.381
253 HG22 THR 33 1HG2 THR 33 5.468 9.332 -1.133
254 HG23 THR 33 2HG2 THR 33 5.931 10.274 -2.557
255 H ALA 34 H ALA 34 6.445 13.457 1.283
256 HA ALA 34 HA ALA 34 3.884 13.380 2.651
257 HB1 ALA 34 1HB ALA 34 4.227 15.806 2.862
258 HB2 ALA 34 2HB ALA 34 5.691 14.914 3.314
259 HB3 ALA 34 3HB ALA 34 5.596 15.725 1.733
260 H ASP 35 H ASP 35 1.999 14.610 2.072
261 HA ASP 35 HA ASP 35 1.589 15.326 -0.769
262 HB2 ASP 35 1HB ASP 35 0.911 12.952 -0.570
263 HB3 ASP 35 2HB ASP 35 -0.176 13.370 0.755
264 H GLY 36 H GLY 36 0.028 16.892 -1.108
265 HA2 GLY 36 1HA GLY 36 -1.949 17.893 0.611
266 HA3 GLY 36 2HA GLY 36 -0.475 18.764 1.030
Start of MODEL 8
1 H1 GLY 1 1H GLY 1 -18.119 -7.289 -15.082
2 H2 GLY 1 2H GLY 1 -17.272 -7.085 -13.693
3 H3 GLY 1 3H GLY 1 -18.642 -6.227 -13.950
4 HA2 GLY 1 1HA GLY 1 -19.990 -8.216 -13.881
5 HA3 GLY 1 2HA GLY 1 -18.507 -9.159 -13.632
6 H SER 2 H SER 2 -20.958 -8.784 -11.926
7 HA SER 2 HA SER 2 -20.571 -7.029 -9.795
8 HB2 SER 2 1HB SER 2 -22.030 -9.695 -9.727
9 HB3 SER 2 2HB SER 2 -22.301 -8.308 -8.655
10 HG SER 2 HG SER 2 -23.819 -8.373 -10.380
11 H SER 3 H SER 3 -18.997 -10.137 -10.187
12 HA SER 3 HA SER 3 -18.259 -10.571 -7.436
13 HB2 SER 3 1HB SER 3 -16.889 -11.541 -9.972
14 HB3 SER 3 2HB SER 3 -16.702 -12.213 -8.341
15 HG SER 3 HG SER 3 -18.210 -13.409 -9.597
16 H GLY 4 H GLY 4 -17.096 -8.234 -9.682
17 HA2 GLY 4 1HA GLY 4 -15.489 -6.596 -9.429
18 HA3 GLY 4 2HA GLY 4 -15.038 -7.268 -7.867
19 H SER 5 H SER 5 -12.961 -6.416 -8.991
20 HA SER 5 HA SER 5 -11.636 -7.973 -10.994
21 HB2 SER 5 1HB SER 5 -10.455 -6.168 -8.849
22 HB3 SER 5 2HB SER 5 -9.630 -6.734 -10.315
23 HG SER 5 HG SER 5 -10.517 -4.628 -10.576
24 H SER 6 H SER 6 -9.857 -9.419 -10.829
25 HA SER 6 HA SER 6 -10.083 -11.442 -8.850
26 HB2 SER 6 1HB SER 6 -7.750 -10.914 -10.729
27 HB3 SER 6 2HB SER 6 -8.132 -12.442 -9.913
28 HG SER 6 HG SER 6 -8.910 -12.393 -12.078
29 H GLY 7 H GLY 7 -7.853 -8.681 -9.029
30 HA2 GLY 7 1HA GLY 7 -6.367 -9.458 -6.590
31 HA3 GLY 7 2HA GLY 7 -6.150 -7.994 -7.544
32 H LYS 8 H LYS 8 -7.118 -9.018 -4.614
33 HA LYS 8 HA LYS 8 -8.982 -6.726 -4.128
34 HB2 LYS 8 1HB LYS 8 -9.315 -9.573 -3.090
35 HB3 LYS 8 2HB LYS 8 -10.291 -8.172 -2.607
36 HG2 LYS 8 1HG LYS 8 -10.965 -7.848 -4.980
37 HG3 LYS 8 2HG LYS 8 -10.138 -9.368 -5.388
38 HD2 LYS 8 1HD LYS 8 -11.603 -10.622 -3.867
39 HD3 LYS 8 2HD LYS 8 -12.385 -9.108 -3.335
40 HE2 LYS 8 1HE LYS 8 -13.039 -8.640 -5.674
41 HE3 LYS 8 2HE LYS 8 -12.317 -10.169 -6.186
42 HZ1 LYS 8 3HZ LYS 8 -14.584 -9.937 -4.274
43 HZ2 LYS 8 1HZ LYS 8 -13.950 -11.341 -4.831
44 HZ3 LYS 8 2HZ LYS 8 -14.737 -10.324 -5.854
45 H THR 9 H THR 9 -6.158 -6.791 -3.730
46 HA THR 9 HA THR 9 -6.081 -6.027 -0.847
47 HB THR 9 HB THR 9 -3.690 -7.340 -2.180
48 HG1 THR 9 1HG THR 9 -5.653 -8.588 -0.547
49 HG21 THR 9 3HG2 THR 9 -3.077 -7.811 0.194
50 HG22 THR 9 1HG2 THR 9 -4.485 -6.870 0.730
51 HG23 THR 9 2HG2 THR 9 -3.166 -6.082 -0.165
52 H HIS 10 H HIS 10 -4.887 -4.174 -0.412
53 HA HIS 10 HA HIS 10 -4.111 -2.539 -2.770
54 HB2 HIS 10 1HB HIS 10 -4.504 -1.813 0.154
55 HB3 HIS 10 2HB HIS 10 -4.098 -0.690 -1.137
56 HD1 HIS 10 1HD HIS 10 -6.089 0.071 -2.748
57 HD2 HIS 10 2HD HIS 10 -7.048 -2.900 0.071
58 HE1 HIS 10 1HE HIS 10 -8.634 -0.113 -2.739
59 H LEU 11 H LEU 11 -1.985 -1.797 -3.092
60 HA LEU 11 HA LEU 11 0.128 -3.089 -1.411
61 HB2 LEU 11 1HB LEU 11 -0.329 -4.555 -3.206
62 HB3 LEU 11 2HB LEU 11 -0.400 -3.234 -4.380
63 HG LEU 11 HG LEU 11 2.070 -2.880 -4.093
64 HD11 LEU 11 1HD1 LEU 11 3.400 -4.681 -3.077
65 HD12 LEU 11 2HD1 LEU 11 1.924 -5.517 -2.564
66 HD13 LEU 11 3HD1 LEU 11 2.360 -3.948 -1.855
67 HD21 LEU 11 3HD2 LEU 11 2.702 -4.866 -5.389
68 HD22 LEU 11 1HD2 LEU 11 1.156 -4.202 -5.938
69 HD23 LEU 11 2HD2 LEU 11 1.178 -5.665 -4.922
70 H CYS 12 H CYS 12 1.852 -1.993 -0.958
71 HA CYS 12 HA CYS 12 2.357 0.738 -1.840
72 HB2 CYS 12 1HB CYS 12 2.852 -0.113 0.437
73 HB3 CYS 12 2HB CYS 12 4.016 -1.251 -0.253
74 H ASP 13 H ASP 13 3.304 1.230 -3.720
75 HA ASP 13 HA ASP 13 4.807 -0.741 -5.301
76 HB2 ASP 13 1HB ASP 13 3.182 0.867 -6.275
77 HB3 ASP 13 2HB ASP 13 4.239 2.201 -5.802
78 H MET 14 H MET 14 5.644 1.148 -2.686
79 HA MET 14 HA MET 14 8.324 1.977 -3.696
80 HB2 MET 14 1HB MET 14 6.820 2.800 -1.197
81 HB3 MET 14 2HB MET 14 8.317 3.489 -1.802
82 HG2 MET 14 1HG MET 14 7.122 4.234 -3.855
83 HG3 MET 14 2HG MET 14 5.615 3.593 -3.183
84 HE1 MET 14 3HE MET 14 4.255 5.726 -3.328
85 HE2 MET 14 1HE MET 14 4.855 7.337 -2.873
86 HE3 MET 14 2HE MET 14 5.630 6.440 -4.205
87 H CYS 15 H CYS 15 6.840 0.117 -1.044
88 HA CYS 15 HA CYS 15 9.463 -1.196 -0.593
89 HB2 CYS 15 1HB CYS 15 9.273 -1.196 1.756
90 HB3 CYS 15 2HB CYS 15 9.231 0.446 1.148
91 H GLY 16 H GLY 16 6.352 -1.710 -1.541
92 HA2 GLY 16 1HA GLY 16 5.529 -3.737 -2.329
93 HA3 GLY 16 2HA GLY 16 6.850 -4.576 -1.537
94 H LYS 17 H LYS 17 5.125 -2.705 0.720
95 HA LYS 17 HA LYS 17 4.000 -5.056 2.039
96 HB2 LYS 17 1HB LYS 17 3.891 -2.083 2.696
97 HB3 LYS 17 2HB LYS 17 3.268 -3.362 3.747
98 HG2 LYS 17 1HG LYS 17 5.526 -4.358 3.921
99 HG3 LYS 17 2HG LYS 17 6.156 -3.135 2.805
100 HD2 LYS 17 1HD LYS 17 5.473 -1.350 4.433
101 HD3 LYS 17 2HD LYS 17 4.984 -2.613 5.566
102 HE2 LYS 17 1HE LYS 17 7.209 -1.740 6.110
103 HE3 LYS 17 2HE LYS 17 7.288 -3.455 5.694
104 HZ1 LYS 17 3HZ LYS 17 7.860 -1.319 3.702
105 HZ2 LYS 17 1HZ LYS 17 8.197 -2.900 3.572
106 HZ3 LYS 17 2HZ LYS 17 9.037 -1.993 4.641
107 H LYS 18 H LYS 18 1.950 -5.605 2.440
108 HA LYS 18 HA LYS 18 -0.135 -4.522 0.607
109 HB2 LYS 18 1HB LYS 18 0.462 -7.249 1.742
110 HB3 LYS 18 2HB LYS 18 -1.179 -6.847 1.255
111 HG2 LYS 18 1HG LYS 18 -0.514 -6.341 -1.008
112 HG3 LYS 18 2HG LYS 18 1.201 -6.442 -0.593
113 HD2 LYS 18 1HD LYS 18 0.954 -8.841 -0.060
114 HD3 LYS 18 2HD LYS 18 -0.773 -8.763 -0.478
115 HE2 LYS 18 1HE LYS 18 -0.176 -8.065 -2.791
116 HE3 LYS 18 2HE LYS 18 1.541 -8.136 -2.373
117 HZ1 LYS 18 3HZ LYS 18 1.272 -10.524 -1.952
118 HZ2 LYS 18 1HZ LYS 18 0.816 -10.173 -3.478
119 HZ3 LYS 18 2HZ LYS 18 -0.315 -10.460 -2.337
120 H PHE 19 H PHE 19 -2.112 -3.996 1.233
121 HA PHE 19 HA PHE 19 -2.737 -3.688 4.133
122 HB2 PHE 19 1HB PHE 19 -2.819 -1.572 1.950
123 HB3 PHE 19 2HB PHE 19 -3.408 -1.339 3.585
124 HD1 PHE 19 2HD PHE 19 -1.764 -1.565 5.550
125 HD2 PHE 19 1HD PHE 19 -0.477 -1.387 1.441
126 HE1 PHE 19 2HE PHE 19 0.537 -1.006 6.296
127 HE2 PHE 19 1HE PHE 19 1.819 -0.843 2.190
128 HZ PHE 19 HZ PHE 19 2.337 -0.662 4.617
129 H LYS 20 H LYS 20 -4.873 -3.324 4.693
130 HA LYS 20 HA LYS 20 -6.793 -4.904 3.229
131 HB2 LYS 20 1HB LYS 20 -8.214 -4.551 5.165
132 HB3 LYS 20 2HB LYS 20 -6.571 -4.931 5.679
133 HG2 LYS 20 1HG LYS 20 -6.157 -2.487 6.093
134 HG3 LYS 20 2HG LYS 20 -7.830 -2.143 5.616
135 HD2 LYS 20 1HD LYS 20 -8.657 -3.554 7.473
136 HD3 LYS 20 2HD LYS 20 -6.980 -3.904 7.953
137 HE2 LYS 20 1HE LYS 20 -6.575 -1.474 8.295
138 HE3 LYS 20 2HE LYS 20 -8.239 -1.125 7.818
139 HZ1 LYS 20 3HZ LYS 20 -8.017 -1.218 10.235
140 HZ2 LYS 20 1HZ LYS 20 -7.456 -2.748 10.184
141 HZ3 LYS 20 2HZ LYS 20 -8.995 -2.425 9.741
142 H SER 21 H SER 21 -6.217 -1.497 3.205
143 HA SER 21 HA SER 21 -8.569 -0.997 1.481
144 HB2 SER 21 1HB SER 21 -9.484 -0.642 3.699
145 HB3 SER 21 2HB SER 21 -8.115 0.385 4.152
146 HG SER 21 HG SER 21 -10.094 1.497 3.463
147 H LYS 22 H LYS 22 -8.431 0.922 0.296
148 HA LYS 22 HA LYS 22 -5.846 2.011 -0.376
149 HB2 LYS 22 1HB LYS 22 -7.178 3.749 -1.594
150 HB3 LYS 22 2HB LYS 22 -7.510 2.091 -2.059
151 HG2 LYS 22 1HG LYS 22 -9.602 2.088 -0.754
152 HG3 LYS 22 2HG LYS 22 -9.262 3.729 -0.182
153 HD2 LYS 22 1HD LYS 22 -9.354 4.566 -2.514
154 HD3 LYS 22 2HD LYS 22 -9.679 2.915 -3.091
155 HE2 LYS 22 1HE LYS 22 -11.751 2.849 -1.714
156 HE3 LYS 22 2HE LYS 22 -11.427 4.491 -1.144
157 HZ1 LYS 22 3HZ LYS 22 -11.928 3.741 -3.979
158 HZ2 LYS 22 1HZ LYS 22 -11.628 5.260 -3.452
159 HZ3 LYS 22 2HZ LYS 22 -12.994 4.492 -2.999
160 H GLY 23 H GLY 23 -8.227 2.953 2.055
161 HA2 GLY 23 1HA GLY 23 -7.040 5.518 2.732
162 HA3 GLY 23 2HA GLY 23 -8.107 4.537 3.745
163 H THR 24 H THR 24 -6.603 2.175 3.986
164 HA THR 24 HA THR 24 -4.614 2.809 5.957
165 HB THR 24 HB THR 24 -4.899 0.175 4.469
166 HG1 THR 24 1HG THR 24 -6.357 1.141 6.699
167 HG21 THR 24 3HG2 THR 24 -4.174 -0.806 6.592
168 HG22 THR 24 1HG2 THR 24 -4.078 0.808 7.337
169 HG23 THR 24 2HG2 THR 24 -2.969 0.364 6.024
170 H LEU 25 H LEU 25 -4.320 1.701 2.525
171 HA LEU 25 HA LEU 25 -1.469 1.764 2.441
172 HB2 LEU 25 1HB LEU 25 -2.738 0.572 0.784
173 HB3 LEU 25 2HB LEU 25 -3.649 2.016 0.357
174 HG LEU 25 HG LEU 25 -1.572 3.055 -0.573
175 HD11 LEU 25 1HD1 LEU 25 -0.321 0.326 -0.048
176 HD12 LEU 25 2HD1 LEU 25 0.133 1.837 0.766
177 HD13 LEU 25 3HD1 LEU 25 0.417 1.655 -0.960
178 HD21 LEU 25 3HD2 LEU 25 -2.171 0.319 -1.708
179 HD22 LEU 25 1HD2 LEU 25 -1.479 1.702 -2.573
180 HD23 LEU 25 2HD2 LEU 25 -3.147 1.786 -1.973
181 H LYS 26 H LYS 26 -3.876 4.380 1.675
182 HA LYS 26 HA LYS 26 -1.951 6.336 0.910
183 HB2 LYS 26 1HB LYS 26 -4.344 6.578 0.516
184 HB3 LYS 26 2HB LYS 26 -4.666 6.690 2.255
185 HG2 LYS 26 1HG LYS 26 -3.345 8.757 2.404
186 HG3 LYS 26 2HG LYS 26 -2.904 8.637 0.699
187 HD2 LYS 26 1HD LYS 26 -5.741 8.985 1.771
188 HD3 LYS 26 2HD LYS 26 -4.706 10.294 1.181
189 HE2 LYS 26 1HE LYS 26 -4.593 9.182 -1.054
190 HE3 LYS 26 2HE LYS 26 -5.694 7.927 -0.473
191 HZ1 LYS 26 3HZ LYS 26 -6.893 9.667 -1.666
192 HZ2 LYS 26 1HZ LYS 26 -6.352 10.820 -0.649
193 HZ3 LYS 26 2HZ LYS 26 -7.371 9.663 -0.106
194 H SER 27 H SER 27 -3.297 5.627 4.134
195 HA SER 27 HA SER 27 -1.777 7.494 5.645
196 HB2 SER 27 1HB SER 27 -2.763 4.743 6.501
197 HB3 SER 27 2HB SER 27 -2.234 6.048 7.574
198 HG SER 27 HG SER 27 -4.506 5.979 5.862
199 H HIS 28 H HIS 28 -0.746 4.475 4.205
200 HA HIS 28 HA HIS 28 1.828 4.429 5.660
201 HB2 HIS 28 1HB HIS 28 0.814 2.304 5.247
202 HB3 HIS 28 2HB HIS 28 0.582 2.653 3.538
203 HD1 HIS 28 1HD HIS 28 3.478 1.917 5.983
204 HD2 HIS 28 2HD HIS 28 2.567 2.199 1.887
205 HE1 HIS 28 1HE HIS 28 5.543 1.092 4.757
206 H LYS 29 H LYS 29 0.685 5.136 2.307
207 HA LYS 29 HA LYS 29 3.252 5.657 1.169
208 HB2 LYS 29 1HB LYS 29 0.442 6.563 0.462
209 HB3 LYS 29 2HB LYS 29 1.855 7.088 -0.460
210 HG2 LYS 29 1HG LYS 29 2.483 4.756 -0.929
211 HG3 LYS 29 2HG LYS 29 1.075 4.171 -0.026
212 HD2 LYS 29 1HD LYS 29 -0.454 5.233 -1.605
213 HD3 LYS 29 2HD LYS 29 0.894 6.047 -2.415
214 HE2 LYS 29 1HE LYS 29 1.835 3.834 -3.068
215 HE3 LYS 29 2HE LYS 29 0.426 3.047 -2.354
216 HZ1 LYS 29 3HZ LYS 29 0.124 3.364 -4.738
217 HZ2 LYS 29 1HZ LYS 29 0.341 4.975 -4.614
218 HZ3 LYS 29 2HZ LYS 29 -0.975 4.276 -3.947
219 H LEU 30 H LEU 30 1.172 7.810 3.042
220 HA LEU 30 HA LEU 30 2.638 10.236 2.722
221 HB2 LEU 30 1HB LEU 30 1.046 9.061 5.038
222 HB3 LEU 30 2HB LEU 30 1.688 10.698 5.069
223 HG LEU 30 HG LEU 30 -0.245 9.723 2.923
224 HD11 LEU 30 1HD1 LEU 30 -0.760 11.333 5.455
225 HD12 LEU 30 2HD1 LEU 30 -1.242 9.647 5.176
226 HD13 LEU 30 3HD1 LEU 30 -1.956 10.938 4.193
227 HD21 LEU 30 3HD2 LEU 30 -0.593 12.148 2.554
228 HD22 LEU 30 1HD2 LEU 30 1.070 11.660 2.209
229 HD23 LEU 30 2HD2 LEU 30 0.696 12.504 3.728
230 H LEU 31 H LEU 31 3.541 7.372 4.498
231 HA LEU 31 HA LEU 31 5.561 8.703 6.149
232 HB2 LEU 31 1HB LEU 31 5.258 5.737 5.594
233 HB3 LEU 31 2HB LEU 31 6.130 6.488 6.917
234 HG LEU 31 HG LEU 31 3.104 6.560 6.542
235 HD11 LEU 31 1HD1 LEU 31 3.986 4.340 7.147
236 HD12 LEU 31 2HD1 LEU 31 3.052 5.059 8.469
237 HD13 LEU 31 3HD1 LEU 31 4.830 5.052 8.542
238 HD21 LEU 31 3HD2 LEU 31 3.866 8.575 7.730
239 HD22 LEU 31 1HD2 LEU 31 4.834 7.575 8.839
240 HD23 LEU 31 2HD2 LEU 31 3.059 7.468 8.845
241 H HIS 32 H HIS 32 5.570 7.646 2.865
242 HA HIS 32 HA HIS 32 8.470 7.106 2.783
243 HB2 HIS 32 1HB HIS 32 6.233 6.971 0.746
244 HB3 HIS 32 2HB HIS 32 7.919 6.841 0.281
245 HD1 HIS 32 1HD HIS 32 9.319 4.797 1.720
246 HD2 HIS 32 2HD HIS 32 5.175 4.613 1.082
247 HE1 HIS 32 1HE HIS 32 8.706 2.343 1.898
248 H THR 33 H THR 33 6.704 10.013 2.698
249 HA THR 33 HA THR 33 8.187 11.368 0.607
250 HB THR 33 HB THR 33 7.243 13.448 1.547
251 HG1 THR 33 1HG THR 33 7.113 12.904 3.726
252 HG21 THR 33 3HG2 THR 33 5.943 12.100 -0.080
253 HG22 THR 33 1HG2 THR 33 4.902 12.966 1.064
254 HG23 THR 33 2HG2 THR 33 5.176 11.223 1.264
255 H ALA 34 H ALA 34 9.760 13.017 0.791
256 HA ALA 34 HA ALA 34 11.871 12.437 2.659
257 HB1 ALA 34 1HB ALA 34 13.056 14.229 1.461
258 HB2 ALA 34 2HB ALA 34 12.268 13.118 0.326
259 HB3 ALA 34 3HB ALA 34 11.547 14.712 0.660
260 H ASP 35 H ASP 35 12.910 13.890 4.115
261 HA ASP 35 HA ASP 35 11.400 16.180 5.202
262 HB2 ASP 35 1HB ASP 35 11.330 15.377 7.426
263 HB3 ASP 35 2HB ASP 35 10.601 14.138 6.421
264 H GLY 36 H GLY 36 12.631 17.470 6.732
265 HA2 GLY 36 1HA GLY 36 15.310 17.232 7.471
266 HA3 GLY 36 2HA GLY 36 15.345 17.989 5.878
Start of MODEL 9
1 H1 GLY 1 1H GLY 1 -12.215 -14.911 -7.278
2 H2 GLY 1 2H GLY 1 -11.192 -15.185 -6.023
3 H3 GLY 1 3H GLY 1 -11.545 -16.395 -7.082
4 HA2 GLY 1 1HA GLY 1 -9.367 -15.601 -7.577
5 HA3 GLY 1 2HA GLY 1 -10.481 -15.152 -8.883
6 H SER 2 H SER 2 -7.935 -13.989 -7.410
7 HA SER 2 HA SER 2 -8.577 -11.438 -6.367
8 HB2 SER 2 1HB SER 2 -6.037 -12.303 -7.795
9 HB3 SER 2 2HB SER 2 -6.217 -10.918 -6.700
10 HG SER 2 HG SER 2 -5.355 -12.781 -5.641
11 H SER 3 H SER 3 -8.419 -9.360 -7.218
12 HA SER 3 HA SER 3 -9.033 -7.711 -8.631
13 HB2 SER 3 1HB SER 3 -7.629 -9.251 -10.832
14 HB3 SER 3 2HB SER 3 -8.121 -7.552 -10.880
15 HG SER 3 HG SER 3 -5.873 -7.974 -10.293
16 H GLY 4 H GLY 4 -10.854 -9.821 -8.075
17 HA2 GLY 4 1HA GLY 4 -12.936 -9.470 -10.087
18 HA3 GLY 4 2HA GLY 4 -12.164 -11.054 -10.151
19 H SER 5 H SER 5 -13.407 -12.520 -9.171
20 HA SER 5 HA SER 5 -15.686 -11.890 -7.653
21 HB2 SER 5 1HB SER 5 -15.925 -14.350 -7.441
22 HB3 SER 5 2HB SER 5 -15.569 -13.811 -9.088
23 HG SER 5 HG SER 5 -14.291 -15.597 -8.530
24 H SER 6 H SER 6 -12.492 -12.326 -6.374
25 HA SER 6 HA SER 6 -13.654 -12.314 -3.619
26 HB2 SER 6 1HB SER 6 -11.684 -13.496 -2.781
27 HB3 SER 6 2HB SER 6 -12.628 -14.441 -3.933
28 HG SER 6 HG SER 6 -10.111 -13.204 -4.291
29 H GLY 7 H GLY 7 -12.907 -10.082 -5.503
30 HA2 GLY 7 1HA GLY 7 -12.308 -7.885 -5.100
31 HA3 GLY 7 2HA GLY 7 -11.871 -8.319 -3.450
32 H LYS 8 H LYS 8 -10.090 -6.849 -3.679
33 HA LYS 8 HA LYS 8 -7.641 -8.094 -4.763
34 HB2 LYS 8 1HB LYS 8 -8.678 -6.640 -6.584
35 HB3 LYS 8 2HB LYS 8 -8.412 -5.241 -5.535
36 HG2 LYS 8 1HG LYS 8 -5.969 -5.716 -5.575
37 HG3 LYS 8 2HG LYS 8 -6.279 -7.130 -6.609
38 HD2 LYS 8 1HD LYS 8 -7.327 -5.595 -8.307
39 HD3 LYS 8 2HD LYS 8 -6.891 -4.208 -7.278
40 HE2 LYS 8 1HE LYS 8 -4.516 -4.869 -7.395
41 HE3 LYS 8 2HE LYS 8 -4.954 -6.277 -8.378
42 HZ1 LYS 8 3HZ LYS 8 -5.353 -3.445 -9.202
43 HZ2 LYS 8 1HZ LYS 8 -5.746 -4.752 -10.102
44 HZ3 LYS 8 2HZ LYS 8 -4.182 -4.431 -9.770
45 H THR 9 H THR 9 -5.843 -7.625 -3.596
46 HA THR 9 HA THR 9 -6.089 -6.132 -1.082
47 HB THR 9 HB THR 9 -3.553 -7.354 -2.210
48 HG1 THR 9 1HG THR 9 -5.579 -8.659 -0.706
49 HG21 THR 9 3HG2 THR 9 -4.581 -6.911 0.631
50 HG22 THR 9 1HG2 THR 9 -3.216 -6.088 -0.155
51 HG23 THR 9 2HG2 THR 9 -3.112 -7.816 0.207
52 H HIS 10 H HIS 10 -4.962 -4.235 -0.508
53 HA HIS 10 HA HIS 10 -4.101 -2.510 -2.762
54 HB2 HIS 10 1HB HIS 10 -4.546 -1.926 0.187
55 HB3 HIS 10 2HB HIS 10 -4.085 -0.745 -1.025
56 HD1 HIS 10 1HD HIS 10 -6.009 0.158 -2.634
57 HD2 HIS 10 2HD HIS 10 -7.110 -2.954 -0.028
58 HE1 HIS 10 1HE HIS 10 -8.558 0.037 -2.697
59 H LEU 11 H LEU 11 -1.970 -1.656 -2.944
60 HA LEU 11 HA LEU 11 0.145 -3.018 -1.332
61 HB2 LEU 11 1HB LEU 11 -0.297 -4.448 -3.159
62 HB3 LEU 11 2HB LEU 11 -0.401 -3.104 -4.303
63 HG LEU 11 HG LEU 11 2.072 -2.735 -4.036
64 HD11 LEU 11 1HD1 LEU 11 1.936 -5.406 -2.567
65 HD12 LEU 11 2HD1 LEU 11 2.387 -3.855 -1.830
66 HD13 LEU 11 3HD1 LEU 11 3.411 -4.567 -3.081
67 HD21 LEU 11 3HD2 LEU 11 1.141 -4.016 -5.905
68 HD22 LEU 11 1HD2 LEU 11 1.182 -5.503 -4.925
69 HD23 LEU 11 2HD2 LEU 11 2.697 -4.686 -5.389
70 H CYS 12 H CYS 12 1.886 -1.920 -0.882
71 HA CYS 12 HA CYS 12 2.368 0.829 -1.751
72 HB2 CYS 12 1HB CYS 12 2.865 -0.002 0.532
73 HB3 CYS 12 2HB CYS 12 4.028 -1.150 -0.146
74 H ASP 13 H ASP 13 3.388 1.348 -3.596
75 HA ASP 13 HA ASP 13 4.778 -0.658 -5.226
76 HB2 ASP 13 1HB ASP 13 3.217 1.049 -6.141
77 HB3 ASP 13 2HB ASP 13 4.354 2.316 -5.671
78 H MET 14 H MET 14 5.756 1.167 -2.616
79 HA MET 14 HA MET 14 8.471 1.841 -3.661
80 HB2 MET 14 1HB MET 14 6.827 2.827 -1.315
81 HB3 MET 14 2HB MET 14 8.491 3.335 -1.641
82 HG2 MET 14 1HG MET 14 7.851 4.137 -3.852
83 HG3 MET 14 2HG MET 14 6.178 3.657 -3.605
84 HE1 MET 14 3HE MET 14 4.357 5.100 -2.568
85 HE2 MET 14 1HE MET 14 5.068 4.502 -1.055
86 HE3 MET 14 2HE MET 14 4.673 6.229 -1.233
87 H CYS 15 H CYS 15 6.913 0.073 -1.030
88 HA CYS 15 HA CYS 15 9.495 -1.338 -0.560
89 HB2 CYS 15 1HB CYS 15 9.212 -1.400 1.804
90 HB3 CYS 15 2HB CYS 15 9.262 0.263 1.238
91 H GLY 16 H GLY 16 6.293 -1.726 -1.448
92 HA2 GLY 16 1HA GLY 16 5.408 -3.715 -2.277
93 HA3 GLY 16 2HA GLY 16 6.730 -4.611 -1.553
94 H LYS 17 H LYS 17 5.212 -2.745 0.839
95 HA LYS 17 HA LYS 17 3.982 -5.031 2.148
96 HB2 LYS 17 1HB LYS 17 3.917 -2.045 2.760
97 HB3 LYS 17 2HB LYS 17 3.232 -3.292 3.807
98 HG2 LYS 17 1HG LYS 17 5.470 -4.360 4.015
99 HG3 LYS 17 2HG LYS 17 6.166 -3.098 2.984
100 HD2 LYS 17 1HD LYS 17 5.317 -1.389 4.665
101 HD3 LYS 17 2HD LYS 17 4.918 -2.728 5.745
102 HE2 LYS 17 1HE LYS 17 7.682 -2.109 4.591
103 HE3 LYS 17 2HE LYS 17 7.137 -1.641 6.203
104 HZ1 LYS 17 3HZ LYS 17 6.884 -4.011 6.738
105 HZ2 LYS 17 1HZ LYS 17 8.420 -3.679 6.303
106 HZ3 LYS 17 2HZ LYS 17 7.432 -4.441 5.256
107 H LYS 18 H LYS 18 1.926 -5.565 2.487
108 HA LYS 18 HA LYS 18 -0.109 -4.434 0.626
109 HB2 LYS 18 1HB LYS 18 0.435 -7.195 1.707
110 HB3 LYS 18 2HB LYS 18 -1.180 -6.764 1.155
111 HG2 LYS 18 1HG LYS 18 -0.409 -6.207 -1.060
112 HG3 LYS 18 2HG LYS 18 1.288 -6.332 -0.571
113 HD2 LYS 18 1HD LYS 18 0.994 -8.744 -0.110
114 HD3 LYS 18 2HD LYS 18 -0.712 -8.635 -0.609
115 HE2 LYS 18 1HE LYS 18 0.005 -7.887 -2.870
116 HE3 LYS 18 2HE LYS 18 1.699 -7.984 -2.371
117 HZ1 LYS 18 3HZ LYS 18 1.015 -9.987 -3.562
118 HZ2 LYS 18 1HZ LYS 18 -0.173 -10.293 -2.486
119 HZ3 LYS 18 2HZ LYS 18 1.394 -10.379 -2.024
120 H PHE 19 H PHE 19 -2.142 -4.004 1.213
121 HA PHE 19 HA PHE 19 -2.812 -3.727 4.108
122 HB2 PHE 19 1HB PHE 19 -2.920 -1.577 1.959
123 HB3 PHE 19 2HB PHE 19 -3.529 -1.389 3.595
124 HD1 PHE 19 2HD PHE 19 -1.926 -1.498 5.558
125 HD2 PHE 19 1HD PHE 19 -0.554 -1.408 1.475
126 HE1 PHE 19 2HE PHE 19 0.357 -0.905 6.339
127 HE2 PHE 19 1HE PHE 19 1.725 -0.826 2.256
128 HZ PHE 19 HZ PHE 19 2.191 -0.591 4.689
129 H LYS 20 H LYS 20 -5.001 -3.427 4.616
130 HA LYS 20 HA LYS 20 -6.822 -4.993 2.995
131 HB2 LYS 20 1HB LYS 20 -8.397 -4.646 4.817
132 HB3 LYS 20 2HB LYS 20 -6.836 -5.181 5.421
133 HG2 LYS 20 1HG LYS 20 -6.351 -3.131 6.448
134 HG3 LYS 20 2HG LYS 20 -7.368 -2.210 5.344
135 HD2 LYS 20 1HD LYS 20 -9.405 -3.273 6.393
136 HD3 LYS 20 2HD LYS 20 -8.336 -4.029 7.580
137 HE2 LYS 20 1HE LYS 20 -9.373 -2.021 8.490
138 HE3 LYS 20 2HE LYS 20 -7.624 -1.802 8.383
139 HZ1 LYS 20 3HZ LYS 20 -7.890 -0.365 6.538
140 HZ2 LYS 20 1HZ LYS 20 -9.086 0.097 7.547
141 HZ3 LYS 20 2HZ LYS 20 -9.420 -0.829 6.227
142 H SER 21 H SER 21 -6.316 -1.562 3.187
143 HA SER 21 HA SER 21 -8.694 -0.992 1.488
144 HB2 SER 21 1HB SER 21 -8.123 0.522 4.060
145 HB3 SER 21 2HB SER 21 -9.498 0.737 2.975
146 HG SER 21 HG SER 21 -10.207 -1.363 3.577
147 H LYS 22 H LYS 22 -8.567 0.961 0.326
148 HA LYS 22 HA LYS 22 -5.989 2.001 -0.322
149 HB2 LYS 22 1HB LYS 22 -7.245 3.804 -1.526
150 HB3 LYS 22 2HB LYS 22 -7.646 2.161 -1.987
151 HG2 LYS 22 1HG LYS 22 -9.751 2.238 -0.756
152 HG3 LYS 22 2HG LYS 22 -9.318 3.786 -0.036
153 HD2 LYS 22 1HD LYS 22 -10.923 4.159 -1.787
154 HD3 LYS 22 2HD LYS 22 -9.373 4.861 -2.268
155 HE2 LYS 22 1HE LYS 22 -8.917 2.880 -3.699
156 HE3 LYS 22 2HE LYS 22 -10.440 2.143 -3.176
157 HZ1 LYS 22 3HZ LYS 22 -10.212 4.696 -4.687
158 HZ2 LYS 22 1HZ LYS 22 -11.617 4.014 -4.206
159 HZ3 LYS 22 2HZ LYS 22 -10.685 3.268 -5.315
160 H GLY 23 H GLY 23 -8.324 3.202 2.062
161 HA2 GLY 23 1HA GLY 23 -6.954 5.645 2.715
162 HA3 GLY 23 2HA GLY 23 -8.053 4.746 3.770
163 H THR 24 H THR 24 -6.692 2.323 4.089
164 HA THR 24 HA THR 24 -4.675 2.892 6.027
165 HB THR 24 HB THR 24 -5.089 0.249 4.577
166 HG1 THR 24 1HG THR 24 -6.468 1.430 6.752
167 HG21 THR 24 3HG2 THR 24 -4.223 0.878 7.430
168 HG22 THR 24 1HG2 THR 24 -3.144 0.361 6.122
169 HG23 THR 24 2HG2 THR 24 -4.410 -0.736 6.703
170 H LEU 25 H LEU 25 -4.401 1.766 2.607
171 HA LEU 25 HA LEU 25 -1.540 1.754 2.531
172 HB2 LEU 25 1HB LEU 25 -2.822 0.592 0.872
173 HB3 LEU 25 2HB LEU 25 -3.718 2.044 0.450
174 HG LEU 25 HG LEU 25 -1.633 3.060 -0.490
175 HD11 LEU 25 1HD1 LEU 25 0.062 1.802 0.845
176 HD12 LEU 25 2HD1 LEU 25 0.338 1.635 -0.886
177 HD13 LEU 25 3HD1 LEU 25 -0.417 0.310 0.012
178 HD21 LEU 25 3HD2 LEU 25 -3.240 1.790 -1.877
179 HD22 LEU 25 1HD2 LEU 25 -2.253 0.329 -1.628
180 HD23 LEU 25 2HD2 LEU 25 -1.579 1.711 -2.498
181 H LYS 26 H LYS 26 -3.887 4.433 1.797
182 HA LYS 26 HA LYS 26 -1.939 6.331 0.973
183 HB2 LYS 26 1HB LYS 26 -4.345 6.622 0.655
184 HB3 LYS 26 2HB LYS 26 -4.593 6.796 2.399
185 HG2 LYS 26 1HG LYS 26 -3.193 8.818 2.434
186 HG3 LYS 26 2HG LYS 26 -2.843 8.640 0.714
187 HD2 LYS 26 1HD LYS 26 -5.609 9.111 1.917
188 HD3 LYS 26 2HD LYS 26 -4.562 10.368 1.240
189 HE2 LYS 26 1HE LYS 26 -4.601 9.198 -0.966
190 HE3 LYS 26 2HE LYS 26 -5.712 7.996 -0.298
191 HZ1 LYS 26 3HZ LYS 26 -7.309 9.798 0.108
192 HZ2 LYS 26 1HZ LYS 26 -6.912 9.747 -1.474
193 HZ3 LYS 26 2HZ LYS 26 -6.281 10.905 -0.516
194 H SER 27 H SER 27 -3.220 5.785 4.283
195 HA SER 27 HA SER 27 -1.525 7.597 5.647
196 HB2 SER 27 1HB SER 27 -2.699 4.952 6.579
197 HB3 SER 27 2HB SER 27 -1.942 6.157 7.640
198 HG SER 27 HG SER 27 -4.228 6.409 7.530
199 H HIS 28 H HIS 28 -0.667 4.505 4.238
200 HA HIS 28 HA HIS 28 1.946 4.415 5.630
201 HB2 HIS 28 1HB HIS 28 0.857 2.303 5.276
202 HB3 HIS 28 2HB HIS 28 0.646 2.621 3.554
203 HD1 HIS 28 1HD HIS 28 3.524 1.947 6.050
204 HD2 HIS 28 2HD HIS 28 2.653 2.115 1.940
205 HE1 HIS 28 1HE HIS 28 5.624 1.155 4.867
206 H LYS 29 H LYS 29 0.719 5.063 2.295
207 HA LYS 29 HA LYS 29 3.251 5.483 1.057
208 HB2 LYS 29 1HB LYS 29 0.458 6.513 0.445
209 HB3 LYS 29 2HB LYS 29 1.862 6.948 -0.539
210 HG2 LYS 29 1HG LYS 29 2.345 4.545 -0.944
211 HG3 LYS 29 2HG LYS 29 0.887 4.101 -0.045
212 HD2 LYS 29 1HD LYS 29 -0.533 5.254 -1.660
213 HD3 LYS 29 2HD LYS 29 0.887 5.944 -2.470
214 HE2 LYS 29 1HE LYS 29 1.653 3.658 -3.080
215 HE3 LYS 29 2HE LYS 29 0.190 2.987 -2.353
216 HZ1 LYS 29 3HZ LYS 29 -1.117 4.279 -3.975
217 HZ2 LYS 29 1HZ LYS 29 -0.083 3.277 -4.745
218 HZ3 LYS 29 2HZ LYS 29 0.247 4.871 -4.651
219 H LEU 30 H LEU 30 1.296 7.762 2.934
220 HA LEU 30 HA LEU 30 2.839 10.115 2.485
221 HB2 LEU 30 1HB LEU 30 1.258 9.119 4.890
222 HB3 LEU 30 2HB LEU 30 1.947 10.736 4.808
223 HG LEU 30 HG LEU 30 -0.067 9.679 2.777
224 HD11 LEU 30 1HD1 LEU 30 -0.474 11.489 5.189
225 HD12 LEU 30 2HD1 LEU 30 -1.029 9.807 5.041
226 HD13 LEU 30 3HD1 LEU 30 -1.706 11.054 3.977
227 HD21 LEU 30 3HD2 LEU 30 1.294 11.514 1.889
228 HD22 LEU 30 1HD2 LEU 30 0.971 12.484 3.343
229 HD23 LEU 30 2HD2 LEU 30 -0.348 12.073 2.225
230 H LEU 31 H LEU 31 3.638 7.318 4.460
231 HA LEU 31 HA LEU 31 5.707 8.633 6.023
232 HB2 LEU 31 1HB LEU 31 5.388 5.665 5.465
233 HB3 LEU 31 2HB LEU 31 6.294 6.404 6.772
234 HG LEU 31 HG LEU 31 3.264 6.501 6.459
235 HD11 LEU 31 1HD1 LEU 31 4.144 4.273 7.039
236 HD12 LEU 31 2HD1 LEU 31 3.237 4.992 8.382
237 HD13 LEU 31 3HD1 LEU 31 5.017 4.972 8.421
238 HD21 LEU 31 3HD2 LEU 31 4.060 8.505 7.642
239 HD22 LEU 31 1HD2 LEU 31 5.047 7.496 8.725
240 HD23 LEU 31 2HD2 LEU 31 3.272 7.400 8.769
241 H HIS 32 H HIS 32 5.672 7.460 2.769
242 HA HIS 32 HA HIS 32 8.599 7.129 2.595
243 HB2 HIS 32 1HB HIS 32 6.335 6.835 0.598
244 HB3 HIS 32 2HB HIS 32 8.026 6.719 0.151
245 HD1 HIS 32 1HD HIS 32 9.461 4.682 1.359
246 HD2 HIS 32 2HD HIS 32 5.266 4.560 1.445
247 HE1 HIS 32 1HE HIS 32 8.857 2.266 1.808
248 H THR 33 H THR 33 6.778 9.875 2.801
249 HA THR 33 HA THR 33 8.662 11.438 1.106
250 HB THR 33 HB THR 33 6.728 11.224 -0.265
251 HG1 THR 33 1HG THR 33 6.354 13.348 -0.573
252 HG21 THR 33 3HG2 THR 33 5.075 12.313 2.054
253 HG22 THR 33 1HG2 THR 33 4.951 10.697 1.325
254 HG23 THR 33 2HG2 THR 33 4.510 12.123 0.380
255 H ALA 34 H ALA 34 9.044 13.564 1.702
256 HA ALA 34 HA ALA 34 8.842 14.215 4.536
257 HB1 ALA 34 1HB ALA 34 9.785 15.846 2.137
258 HB2 ALA 34 2HB ALA 34 10.040 16.252 3.847
259 HB3 ALA 34 3HB ALA 34 10.807 14.809 3.161
260 H ASP 35 H ASP 35 6.678 14.580 1.884
261 HA ASP 35 HA ASP 35 5.318 16.986 2.792
262 HB2 ASP 35 1HB ASP 35 5.435 16.135 0.431
263 HB3 ASP 35 2HB ASP 35 4.389 14.794 0.901
264 H GLY 36 H GLY 36 5.264 13.744 3.911
265 HA2 GLY 36 1HA GLY 36 2.523 13.493 4.814
266 HA3 GLY 36 2HA GLY 36 3.900 12.512 5.312
Start of MODEL 10
1 H1 GLY 1 1H GLY 1 7.792 -19.823 -6.201
2 H2 GLY 1 2H GLY 1 7.556 -18.444 -7.050
3 H3 GLY 1 3H GLY 1 7.315 -19.897 -7.768
4 HA2 GLY 1 1HA GLY 1 5.200 -18.881 -7.242
5 HA3 GLY 1 2HA GLY 1 5.451 -20.385 -6.338
6 H SER 2 H SER 2 3.642 -18.384 -5.527
7 HA SER 2 HA SER 2 4.799 -16.759 -3.394
8 HB2 SER 2 1HB SER 2 2.441 -16.158 -2.949
9 HB3 SER 2 2HB SER 2 2.918 -15.906 -4.635
10 HG SER 2 HG SER 2 0.862 -16.959 -4.401
11 H SER 3 H SER 3 4.062 -16.859 -1.155
12 HA SER 3 HA SER 3 4.268 -19.544 -0.035
13 HB2 SER 3 1HB SER 3 4.304 -18.315 2.122
14 HB3 SER 3 2HB SER 3 5.515 -17.747 0.960
15 HG SER 3 HG SER 3 4.382 -16.010 1.978
16 H GLY 4 H GLY 4 1.586 -17.573 -0.911
17 HA2 GLY 4 1HA GLY 4 -0.384 -19.470 -0.174
18 HA3 GLY 4 2HA GLY 4 -0.342 -18.223 1.075
19 H SER 5 H SER 5 -2.652 -18.487 -0.187
20 HA SER 5 HA SER 5 -3.018 -17.064 -2.628
21 HB2 SER 5 1HB SER 5 -5.036 -17.634 -0.426
22 HB3 SER 5 2HB SER 5 -5.407 -17.166 -2.096
23 HG SER 5 HG SER 5 -5.509 -19.445 -1.786
24 H SER 6 H SER 6 -3.838 -15.056 -3.114
25 HA SER 6 HA SER 6 -4.399 -13.034 -1.054
26 HB2 SER 6 1HB SER 6 -1.875 -13.036 -1.478
27 HB3 SER 6 2HB SER 6 -2.235 -12.528 -3.134
28 HG SER 6 HG SER 6 -2.883 -11.183 -0.694
29 H GLY 7 H GLY 7 -5.606 -11.242 -1.913
30 HA2 GLY 7 1HA GLY 7 -6.180 -10.752 -4.636
31 HA3 GLY 7 2HA GLY 7 -7.385 -11.903 -4.057
32 H LYS 8 H LYS 8 -7.713 -9.169 -4.974
33 HA LYS 8 HA LYS 8 -8.624 -7.139 -4.554
34 HB2 LYS 8 1HB LYS 8 -10.004 -8.453 -2.187
35 HB3 LYS 8 2HB LYS 8 -10.497 -6.976 -3.004
36 HG2 LYS 8 1HG LYS 8 -10.526 -9.747 -4.238
37 HG3 LYS 8 2HG LYS 8 -11.897 -8.840 -3.598
38 HD2 LYS 8 1HD LYS 8 -11.336 -6.994 -5.295
39 HD3 LYS 8 2HD LYS 8 -10.216 -8.161 -6.049
40 HE2 LYS 8 1HE LYS 8 -12.099 -9.786 -6.232
41 HE3 LYS 8 2HE LYS 8 -13.174 -8.593 -5.491
42 HZ1 LYS 8 3HZ LYS 8 -11.773 -8.234 -8.095
43 HZ2 LYS 8 1HZ LYS 8 -12.772 -7.135 -7.410
44 HZ3 LYS 8 2HZ LYS 8 -13.360 -8.567 -7.924
45 H THR 9 H THR 9 -6.108 -7.969 -2.986
46 HA THR 9 HA THR 9 -6.047 -6.247 -0.675
47 HB THR 9 HB THR 9 -3.523 -7.255 -1.962
48 HG1 THR 9 1HG THR 9 -3.883 -9.310 -1.330
49 HG21 THR 9 3HG2 THR 9 -4.631 -7.216 0.883
50 HG22 THR 9 1HG2 THR 9 -3.355 -6.172 0.218
51 HG23 THR 9 2HG2 THR 9 -3.067 -7.910 0.425
52 H HIS 10 H HIS 10 -4.854 -4.329 -0.343
53 HA HIS 10 HA HIS 10 -4.156 -2.753 -2.780
54 HB2 HIS 10 1HB HIS 10 -4.562 -1.916 0.112
55 HB3 HIS 10 2HB HIS 10 -4.098 -0.845 -1.204
56 HD1 HIS 10 1HD HIS 10 -6.030 -0.037 -2.840
57 HD2 HIS 10 2HD HIS 10 -7.135 -2.972 -0.036
58 HE1 HIS 10 1HE HIS 10 -8.578 -0.153 -2.891
59 H LEU 11 H LEU 11 -2.044 -1.786 -2.974
60 HA LEU 11 HA LEU 11 0.105 -3.115 -1.377
61 HB2 LEU 11 1HB LEU 11 -0.352 -4.536 -3.227
62 HB3 LEU 11 2HB LEU 11 -0.417 -3.179 -4.357
63 HG LEU 11 HG LEU 11 2.052 -2.839 -4.034
64 HD11 LEU 11 1HD1 LEU 11 2.313 -3.960 -1.822
65 HD12 LEU 11 2HD1 LEU 11 3.358 -4.680 -3.050
66 HD13 LEU 11 3HD1 LEU 11 1.867 -5.508 -2.566
67 HD21 LEU 11 3HD2 LEU 11 2.699 -4.787 -5.377
68 HD22 LEU 11 1HD2 LEU 11 1.159 -4.109 -5.926
69 HD23 LEU 11 2HD2 LEU 11 1.170 -5.599 -4.950
70 H CYS 12 H CYS 12 1.830 -2.000 -0.942
71 HA CYS 12 HA CYS 12 2.280 0.755 -1.796
72 HB2 CYS 12 1HB CYS 12 2.825 -0.104 0.464
73 HB3 CYS 12 2HB CYS 12 3.988 -1.226 -0.251
74 H ASP 13 H ASP 13 3.189 1.281 -3.683
75 HA ASP 13 HA ASP 13 4.667 -0.649 -5.326
76 HB2 ASP 13 1HB ASP 13 3.036 0.996 -6.230
77 HB3 ASP 13 2HB ASP 13 4.114 2.308 -5.744
78 H MET 14 H MET 14 5.562 1.195 -2.692
79 HA MET 14 HA MET 14 8.226 2.026 -3.737
80 HB2 MET 14 1HB MET 14 6.773 2.812 -1.196
81 HB3 MET 14 2HB MET 14 8.260 3.508 -1.819
82 HG2 MET 14 1HG MET 14 7.029 4.290 -3.834
83 HG3 MET 14 2HG MET 14 5.533 3.639 -3.151
84 HE1 MET 14 3HE MET 14 5.551 6.506 -4.128
85 HE2 MET 14 1HE MET 14 4.179 5.779 -3.255
86 HE3 MET 14 2HE MET 14 4.788 7.382 -2.776
87 H CYS 15 H CYS 15 6.787 0.127 -1.088
88 HA CYS 15 HA CYS 15 9.414 -1.196 -0.697
89 HB2 CYS 15 1HB CYS 15 9.254 -1.223 1.660
90 HB3 CYS 15 2HB CYS 15 9.223 0.426 1.066
91 H GLY 16 H GLY 16 6.285 -1.692 -1.590
92 HA2 GLY 16 1HA GLY 16 5.433 -3.709 -2.367
93 HA3 GLY 16 2HA GLY 16 6.776 -4.557 -1.625
94 H LYS 17 H LYS 17 5.113 -2.698 0.695
95 HA LYS 17 HA LYS 17 4.008 -5.055 2.028
96 HB2 LYS 17 1HB LYS 17 3.896 -2.082 2.693
97 HB3 LYS 17 2HB LYS 17 3.297 -3.367 3.750
98 HG2 LYS 17 1HG LYS 17 5.561 -4.352 3.891
99 HG3 LYS 17 2HG LYS 17 6.171 -3.121 2.769
100 HD2 LYS 17 1HD LYS 17 5.501 -1.343 4.409
101 HD3 LYS 17 2HD LYS 17 5.030 -2.609 5.545
102 HE2 LYS 17 1HE LYS 17 7.256 -1.725 6.063
103 HE3 LYS 17 2HE LYS 17 7.337 -3.440 5.649
104 HZ1 LYS 17 3HZ LYS 17 7.878 -1.308 3.644
105 HZ2 LYS 17 1HZ LYS 17 8.222 -2.889 3.518
106 HZ3 LYS 17 2HZ LYS 17 9.069 -1.971 4.572
107 H LYS 18 H LYS 18 1.976 -5.664 2.365
108 HA LYS 18 HA LYS 18 -0.123 -4.521 0.603
109 HB2 LYS 18 1HB LYS 18 0.464 -7.245 1.736
110 HB3 LYS 18 2HB LYS 18 -1.198 -6.824 1.348
111 HG2 LYS 18 1HG LYS 18 -0.637 -6.295 -0.953
112 HG3 LYS 18 2HG LYS 18 1.095 -6.499 -0.631
113 HD2 LYS 18 1HD LYS 18 0.784 -8.871 -0.157
114 HD3 LYS 18 2HD LYS 18 -0.978 -8.715 -0.326
115 HE2 LYS 18 1HE LYS 18 -0.638 -7.947 -2.700
116 HE3 LYS 18 2HE LYS 18 1.094 -8.261 -2.522
117 HZ1 LYS 18 3HZ LYS 18 -0.055 -10.148 -3.537
118 HZ2 LYS 18 1HZ LYS 18 -1.060 -10.301 -2.253
119 HZ3 LYS 18 2HZ LYS 18 0.544 -10.601 -2.087
120 H PHE 19 H PHE 19 -2.108 -3.993 1.229
121 HA PHE 19 HA PHE 19 -2.733 -3.674 4.130
122 HB2 PHE 19 1HB PHE 19 -2.852 -1.548 1.959
123 HB3 PHE 19 2HB PHE 19 -3.450 -1.337 3.594
124 HD1 PHE 19 2HD PHE 19 -1.827 -1.485 5.561
125 HD2 PHE 19 1HD PHE 19 -0.494 -1.376 1.464
126 HE1 PHE 19 2HE PHE 19 0.464 -0.910 6.322
127 HE2 PHE 19 1HE PHE 19 1.794 -0.824 2.228
128 HZ PHE 19 HZ PHE 19 2.285 -0.600 4.657
129 H LYS 20 H LYS 20 -4.905 -3.319 4.673
130 HA LYS 20 HA LYS 20 -6.769 -4.938 3.172
131 HB2 LYS 20 1HB LYS 20 -8.211 -4.686 5.054
132 HB3 LYS 20 2HB LYS 20 -6.567 -4.866 5.661
133 HG2 LYS 20 1HG LYS 20 -6.465 -2.342 5.939
134 HG3 LYS 20 2HG LYS 20 -8.167 -2.270 5.448
135 HD2 LYS 20 1HD LYS 20 -8.704 -3.850 7.350
136 HD3 LYS 20 2HD LYS 20 -7.036 -3.676 7.906
137 HE2 LYS 20 1HE LYS 20 -9.093 -1.433 7.590
138 HE3 LYS 20 2HE LYS 20 -8.636 -2.203 9.111
139 HZ1 LYS 20 3HZ LYS 20 -7.438 -0.150 8.856
140 HZ2 LYS 20 1HZ LYS 20 -6.848 -0.559 7.395
141 HZ3 LYS 20 2HZ LYS 20 -6.352 -1.363 8.744
142 H SER 21 H SER 21 -6.205 -1.543 3.113
143 HA SER 21 HA SER 21 -8.545 -1.026 1.378
144 HB2 SER 21 1HB SER 21 -9.486 -0.673 3.575
145 HB3 SER 21 2HB SER 21 -8.094 0.301 4.077
146 HG SER 21 HG SER 21 -10.033 1.486 3.386
147 H LYS 22 H LYS 22 -8.353 0.843 0.148
148 HA LYS 22 HA LYS 22 -5.766 1.954 -0.450
149 HB2 LYS 22 1HB LYS 22 -7.056 3.666 -1.730
150 HB3 LYS 22 2HB LYS 22 -7.403 2.004 -2.169
151 HG2 LYS 22 1HG LYS 22 -9.519 2.060 -0.896
152 HG3 LYS 22 2HG LYS 22 -9.167 3.712 -0.364
153 HD2 LYS 22 1HD LYS 22 -9.197 4.482 -2.722
154 HD3 LYS 22 2HD LYS 22 -9.542 2.821 -3.257
155 HE2 LYS 22 1HE LYS 22 -11.640 2.832 -1.922
156 HE3 LYS 22 2HE LYS 22 -11.296 4.483 -1.390
157 HZ1 LYS 22 3HZ LYS 22 -11.438 5.192 -3.720
158 HZ2 LYS 22 1HZ LYS 22 -12.826 4.460 -3.276
159 HZ3 LYS 22 2HZ LYS 22 -11.755 3.665 -4.212
160 H GLY 23 H GLY 23 -8.212 2.906 1.915
161 HA2 GLY 23 1HA GLY 23 -7.040 5.489 2.567
162 HA3 GLY 23 2HA GLY 23 -8.162 4.554 3.558
163 H THR 24 H THR 24 -6.645 2.166 3.894
164 HA THR 24 HA THR 24 -4.737 2.878 5.947
165 HB THR 24 HB THR 24 -4.999 0.199 4.528
166 HG1 THR 24 1HG THR 24 -6.656 1.533 6.278
167 HG21 THR 24 3HG2 THR 24 -3.045 0.435 6.070
168 HG22 THR 24 1HG2 THR 24 -4.243 -0.730 6.658
169 HG23 THR 24 2HG2 THR 24 -4.155 0.900 7.373
170 H LEU 25 H LEU 25 -4.346 1.721 2.556
171 HA LEU 25 HA LEU 25 -1.497 1.805 2.504
172 HB2 LEU 25 1HB LEU 25 -2.756 0.607 0.839
173 HB3 LEU 25 2HB LEU 25 -3.658 2.052 0.398
174 HG LEU 25 HG LEU 25 -1.579 3.081 -0.521
175 HD11 LEU 25 1HD1 LEU 25 0.410 1.690 -0.891
176 HD12 LEU 25 2HD1 LEU 25 -0.334 0.347 -0.008
177 HD13 LEU 25 3HD1 LEU 25 0.112 1.845 0.837
178 HD21 LEU 25 3HD2 LEU 25 -2.210 0.342 -1.643
179 HD22 LEU 25 1HD2 LEU 25 -1.476 1.698 -2.516
180 HD23 LEU 25 2HD2 LEU 25 -3.147 1.829 -1.934
181 H LYS 26 H LYS 26 -3.907 4.410 1.751
182 HA LYS 26 HA LYS 26 -2.056 6.387 0.934
183 HB2 LYS 26 1HB LYS 26 -4.495 6.599 0.705
184 HB3 LYS 26 2HB LYS 26 -4.677 6.696 2.462
185 HG2 LYS 26 1HG LYS 26 -3.342 8.813 2.466
186 HG3 LYS 26 2HG LYS 26 -3.163 8.676 0.714
187 HD2 LYS 26 1HD LYS 26 -4.916 10.252 1.134
188 HD3 LYS 26 2HD LYS 26 -5.687 8.782 0.514
189 HE2 LYS 26 1HE LYS 26 -6.281 8.114 2.833
190 HE3 LYS 26 2HE LYS 26 -5.453 9.542 3.466
191 HZ1 LYS 26 3HZ LYS 26 -7.845 9.916 3.280
192 HZ2 LYS 26 1HZ LYS 26 -7.827 9.612 1.677
193 HZ3 LYS 26 2HZ LYS 26 -7.061 10.927 2.271
194 H SER 27 H SER 27 -3.275 5.771 4.255
195 HA SER 27 HA SER 27 -1.604 7.619 5.608
196 HB2 SER 27 1HB SER 27 -2.779 4.987 6.573
197 HB3 SER 27 2HB SER 27 -2.055 6.227 7.618
198 HG SER 27 HG SER 27 -4.344 6.446 7.454
199 H HIS 28 H HIS 28 -0.696 4.574 4.183
200 HA HIS 28 HA HIS 28 1.892 4.474 5.627
201 HB2 HIS 28 1HB HIS 28 0.841 2.358 5.246
202 HB3 HIS 28 2HB HIS 28 0.606 2.694 3.534
203 HD1 HIS 28 1HD HIS 28 3.506 1.954 5.977
204 HD2 HIS 28 2HD HIS 28 2.584 2.204 1.882
205 HE1 HIS 28 1HE HIS 28 5.556 1.093 4.753
206 H LYS 29 H LYS 29 0.712 5.122 2.276
207 HA LYS 29 HA LYS 29 3.252 5.596 1.078
208 HB2 LYS 29 1HB LYS 29 0.437 6.531 0.428
209 HB3 LYS 29 2HB LYS 29 1.832 7.048 -0.526
210 HG2 LYS 29 1HG LYS 29 2.439 4.706 -0.994
211 HG3 LYS 29 2HG LYS 29 1.034 4.140 -0.072
212 HD2 LYS 29 1HD LYS 29 -0.501 5.207 -1.636
213 HD3 LYS 29 2HD LYS 29 0.842 6.019 -2.462
214 HE2 LYS 29 1HE LYS 29 1.767 3.815 -3.140
215 HE3 LYS 29 2HE LYS 29 0.386 3.013 -2.388
216 HZ1 LYS 29 3HZ LYS 29 -1.068 4.227 -3.946
217 HZ2 LYS 29 1HZ LYS 29 0.017 3.324 -4.767
218 HZ3 LYS 29 2HZ LYS 29 0.224 4.937 -4.649
219 H LEU 30 H LEU 30 1.229 7.832 2.928
220 HA LEU 30 HA LEU 30 2.707 10.226 2.482
221 HB2 LEU 30 1HB LEU 30 1.134 9.177 4.871
222 HB3 LEU 30 2HB LEU 30 1.783 10.812 4.813
223 HG LEU 30 HG LEU 30 -0.179 9.735 2.743
224 HD11 LEU 30 1HD1 LEU 30 -0.665 11.483 5.186
225 HD12 LEU 30 2HD1 LEU 30 -1.170 9.792 4.998
226 HD13 LEU 30 3HD1 LEU 30 -1.870 11.039 3.952
227 HD21 LEU 30 3HD2 LEU 30 0.783 12.551 3.386
228 HD22 LEU 30 1HD2 LEU 30 -0.519 12.138 2.246
229 HD23 LEU 30 2HD2 LEU 30 1.137 11.624 1.909
230 H LEU 31 H LEU 31 3.587 7.459 4.437
231 HA LEU 31 HA LEU 31 5.553 8.862 6.070
232 HB2 LEU 31 1HB LEU 31 5.265 5.874 5.611
233 HB3 LEU 31 2HB LEU 31 6.107 6.665 6.932
234 HG LEU 31 HG LEU 31 3.098 6.740 6.466
235 HD11 LEU 31 1HD1 LEU 31 4.750 5.294 8.572
236 HD12 LEU 31 2HD1 LEU 31 3.948 4.537 7.177
237 HD13 LEU 31 3HD1 LEU 31 2.975 5.306 8.442
238 HD21 LEU 31 3HD2 LEU 31 2.986 7.726 8.737
239 HD22 LEU 31 1HD2 LEU 31 3.829 8.792 7.608
240 HD23 LEU 31 2HD2 LEU 31 4.762 7.829 8.778
241 H HIS 32 H HIS 32 5.705 7.619 2.847
242 HA HIS 32 HA HIS 32 8.540 6.939 2.906
243 HB2 HIS 32 1HB HIS 32 6.397 7.011 0.777
244 HB3 HIS 32 2HB HIS 32 8.085 6.839 0.333
245 HD1 HIS 32 1HD HIS 32 9.403 4.707 1.672
246 HD2 HIS 32 2HD HIS 32 5.238 4.680 1.150
247 HE1 HIS 32 1HE HIS 32 8.705 2.282 1.873
248 H THR 33 H THR 33 7.117 9.996 2.854
249 HA THR 33 HA THR 33 9.667 11.170 1.961
250 HB THR 33 HB THR 33 8.363 11.051 -0.110
251 HG1 THR 33 1HG THR 33 8.710 13.164 -0.654
252 HG21 THR 33 3HG2 THR 33 6.412 12.462 -0.486
253 HG22 THR 33 1HG2 THR 33 6.410 12.991 1.206
254 HG23 THR 33 2HG2 THR 33 6.053 11.298 0.797
255 H ALA 34 H ALA 34 10.002 13.307 2.534
256 HA ALA 34 HA ALA 34 8.057 14.669 4.308
257 HB1 ALA 34 1HB ALA 34 9.699 13.525 5.770
258 HB2 ALA 34 2HB ALA 34 11.027 14.355 4.928
259 HB3 ALA 34 3HB ALA 34 9.846 15.287 5.875
260 H ASP 35 H ASP 35 9.327 14.837 1.409
261 HA ASP 35 HA ASP 35 10.514 17.547 1.471
262 HB2 ASP 35 1HB ASP 35 11.649 15.714 0.271
263 HB3 ASP 35 2HB ASP 35 10.236 15.519 -0.769
264 H GLY 36 H GLY 36 9.780 19.272 0.200
265 HA2 GLY 36 1HA GLY 36 7.438 19.321 -1.441
266 HA3 GLY 36 2HA GLY 36 7.006 19.845 0.187
Start of MODEL 11
1 H1 GLY 1 1H GLY 1 -1.032 -15.200 -24.364
2 H2 GLY 1 2H GLY 1 -1.011 -14.056 -23.190
3 H3 GLY 1 3H GLY 1 -2.056 -15.311 -23.090
4 HA2 GLY 1 1HA GLY 1 -0.252 -16.882 -22.838
5 HA3 GLY 1 2HA GLY 1 0.881 -15.524 -22.947
6 H SER 2 H SER 2 1.254 -16.953 -20.803
7 HA SER 2 HA SER 2 -0.358 -16.428 -18.503
8 HB2 SER 2 1HB SER 2 2.579 -17.201 -18.654
9 HB3 SER 2 2HB SER 2 1.522 -17.352 -17.238
10 HG SER 2 HG SER 2 1.699 -19.325 -18.415
11 H SER 3 H SER 3 0.051 -15.162 -16.650
12 HA SER 3 HA SER 3 2.084 -13.022 -16.728
13 HB2 SER 3 1HB SER 3 0.134 -12.021 -17.850
14 HB3 SER 3 2HB SER 3 -0.890 -12.432 -16.461
15 HG SER 3 HG SER 3 -0.018 -10.238 -16.483
16 H GLY 4 H GLY 4 2.662 -12.250 -14.730
17 HA2 GLY 4 1HA GLY 4 1.884 -13.815 -12.344
18 HA3 GLY 4 2HA GLY 4 3.199 -12.648 -12.480
19 H SER 5 H SER 5 0.759 -10.911 -13.777
20 HA SER 5 HA SER 5 0.485 -9.242 -11.466
21 HB2 SER 5 1HB SER 5 -1.013 -9.204 -14.108
22 HB3 SER 5 2HB SER 5 -1.047 -7.916 -12.888
23 HG SER 5 HG SER 5 0.517 -7.537 -14.547
24 H SER 6 H SER 6 -1.266 -8.680 -10.207
25 HA SER 6 HA SER 6 -3.840 -10.100 -10.420
26 HB2 SER 6 1HB SER 6 -2.509 -11.603 -9.009
27 HB3 SER 6 2HB SER 6 -2.100 -10.258 -7.926
28 HG SER 6 HG SER 6 -3.914 -11.620 -7.267
29 H GLY 7 H GLY 7 -5.532 -9.004 -9.504
30 HA2 GLY 7 1HA GLY 7 -5.128 -6.176 -8.717
31 HA3 GLY 7 2HA GLY 7 -6.651 -6.972 -9.105
32 H LYS 8 H LYS 8 -5.175 -9.059 -6.974
33 HA LYS 8 HA LYS 8 -7.054 -8.364 -4.869
34 HB2 LYS 8 1HB LYS 8 -4.905 -10.513 -5.018
35 HB3 LYS 8 2HB LYS 8 -6.080 -10.345 -3.706
36 HG2 LYS 8 1HG LYS 8 -7.948 -10.651 -5.310
37 HG3 LYS 8 2HG LYS 8 -6.797 -10.788 -6.642
38 HD2 LYS 8 1HD LYS 8 -7.519 -12.992 -6.046
39 HD3 LYS 8 2HD LYS 8 -5.819 -12.822 -5.590
40 HE2 LYS 8 1HE LYS 8 -6.488 -12.433 -3.228
41 HE3 LYS 8 2HE LYS 8 -8.195 -12.532 -3.687
42 HZ1 LYS 8 3HZ LYS 8 -7.809 -14.843 -4.363
43 HZ2 LYS 8 1HZ LYS 8 -7.389 -14.646 -2.800
44 HZ3 LYS 8 2HZ LYS 8 -6.232 -14.752 -3.945
45 H THR 9 H THR 9 -6.802 -7.506 -2.960
46 HA THR 9 HA THR 9 -6.050 -6.275 -1.229
47 HB THR 9 HB THR 9 -3.178 -7.034 -1.630
48 HG1 THR 9 1HG THR 9 -5.152 -8.787 -0.611
49 HG21 THR 9 3HG2 THR 9 -3.461 -7.456 0.905
50 HG22 THR 9 1HG2 THR 9 -4.999 -6.599 0.755
51 HG23 THR 9 2HG2 THR 9 -3.470 -5.785 0.330
52 H HIS 10 H HIS 10 -4.961 -4.272 -0.579
53 HA HIS 10 HA HIS 10 -4.164 -2.573 -2.881
54 HB2 HIS 10 1HB HIS 10 -4.474 -1.852 0.054
55 HB3 HIS 10 2HB HIS 10 -4.168 -0.748 -1.273
56 HD1 HIS 10 1HD HIS 10 -6.263 -0.081 -2.804
57 HD2 HIS 10 2HD HIS 10 -7.001 -2.918 0.211
58 HE1 HIS 10 1HE HIS 10 -8.801 -0.255 -2.592
59 H LEU 11 H LEU 11 -2.034 -1.915 -3.223
60 HA LEU 11 HA LEU 11 0.055 -3.174 -1.485
61 HB2 LEU 11 1HB LEU 11 -0.420 -4.662 -3.267
62 HB3 LEU 11 2HB LEU 11 -0.391 -3.364 -4.468
63 HG LEU 11 HG LEU 11 2.074 -3.103 -4.089
64 HD11 LEU 11 1HD1 LEU 11 3.293 -4.921 -2.958
65 HD12 LEU 11 2HD1 LEU 11 1.760 -5.659 -2.452
66 HD13 LEU 11 3HD1 LEU 11 2.253 -4.078 -1.811
67 HD21 LEU 11 3HD2 LEU 11 2.697 -5.147 -5.296
68 HD22 LEU 11 1HD2 LEU 11 1.189 -4.472 -5.931
69 HD23 LEU 11 2HD2 LEU 11 1.142 -5.896 -4.866
70 H CYS 12 H CYS 12 1.762 -2.082 -1.026
71 HA CYS 12 HA CYS 12 2.314 0.621 -1.981
72 HB2 CYS 12 1HB CYS 12 2.708 -0.183 0.349
73 HB3 CYS 12 2HB CYS 12 3.904 -1.323 -0.268
74 H ASP 13 H ASP 13 3.219 0.945 -3.956
75 HA ASP 13 HA ASP 13 4.930 -1.059 -5.250
76 HB2 ASP 13 1HB ASP 13 4.982 0.484 -7.110
77 HB3 ASP 13 2HB ASP 13 3.331 0.230 -6.564
78 H MET 14 H MET 14 5.538 1.048 -2.773
79 HA MET 14 HA MET 14 8.215 1.951 -3.713
80 HB2 MET 14 1HB MET 14 6.633 2.697 -1.239
81 HB3 MET 14 2HB MET 14 8.140 3.415 -1.771
82 HG2 MET 14 1HG MET 14 7.027 4.220 -3.826
83 HG3 MET 14 2HG MET 14 5.504 3.503 -3.287
84 HE1 MET 14 3HE MET 14 4.725 7.286 -2.911
85 HE2 MET 14 1HE MET 14 5.709 6.508 -4.176
86 HE3 MET 14 2HE MET 14 4.220 5.724 -3.597
87 H CYS 15 H CYS 15 6.739 0.029 -1.102
88 HA CYS 15 HA CYS 15 9.393 -1.204 -0.596
89 HB2 CYS 15 1HB CYS 15 9.177 -1.199 1.736
90 HB3 CYS 15 2HB CYS 15 9.058 0.441 1.125
91 H GLY 16 H GLY 16 6.257 -1.818 -1.530
92 HA2 GLY 16 1HA GLY 16 5.549 -3.892 -2.341
93 HA3 GLY 16 2HA GLY 16 6.859 -4.681 -1.485
94 H LYS 17 H LYS 17 5.031 -2.774 0.655
95 HA LYS 17 HA LYS 17 3.902 -5.123 1.999
96 HB2 LYS 17 1HB LYS 17 3.843 -2.147 2.640
97 HB3 LYS 17 2HB LYS 17 3.174 -3.401 3.688
98 HG2 LYS 17 1HG LYS 17 5.402 -4.460 3.889
99 HG3 LYS 17 2HG LYS 17 6.076 -3.249 2.781
100 HD2 LYS 17 1HD LYS 17 5.385 -1.450 4.412
101 HD3 LYS 17 2HD LYS 17 4.902 -2.720 5.540
102 HE2 LYS 17 1HE LYS 17 7.129 -1.851 6.079
103 HE3 LYS 17 2HE LYS 17 7.210 -3.562 5.646
104 HZ1 LYS 17 3HZ LYS 17 7.756 -1.415 3.662
105 HZ2 LYS 17 1HZ LYS 17 8.111 -2.991 3.529
106 HZ3 LYS 17 2HZ LYS 17 8.947 -2.076 4.594
107 H LYS 18 H LYS 18 1.887 -5.790 2.197
108 HA LYS 18 HA LYS 18 -0.235 -4.543 0.571
109 HB2 LYS 18 1HB LYS 18 0.294 -7.248 1.776
110 HB3 LYS 18 2HB LYS 18 -1.373 -6.758 1.537
111 HG2 LYS 18 1HG LYS 18 -0.947 -6.276 -0.845
112 HG3 LYS 18 2HG LYS 18 0.754 -6.755 -0.651
113 HD2 LYS 18 1HD LYS 18 0.138 -9.018 -0.099
114 HD3 LYS 18 2HD LYS 18 -1.572 -8.584 0.041
115 HE2 LYS 18 1HE LYS 18 -1.251 -7.779 -2.485
116 HE3 LYS 18 2HE LYS 18 0.097 -8.920 -2.458
117 HZ1 LYS 18 3HZ LYS 18 -2.745 -9.545 -1.803
118 HZ2 LYS 18 1HZ LYS 18 -1.520 -10.643 -1.764
119 HZ3 LYS 18 2HZ LYS 18 -1.980 -9.969 -3.184
120 H PHE 19 H PHE 19 -2.142 -3.870 1.232
121 HA PHE 19 HA PHE 19 -2.754 -3.563 4.134
122 HB2 PHE 19 1HB PHE 19 -2.824 -1.412 1.983
123 HB3 PHE 19 2HB PHE 19 -3.420 -1.203 3.620
124 HD1 PHE 19 2HD PHE 19 -1.804 -1.405 5.588
125 HD2 PHE 19 1HD PHE 19 -0.461 -1.298 1.494
126 HE1 PHE 19 2HE PHE 19 0.502 -0.899 6.356
127 HE2 PHE 19 1HE PHE 19 1.839 -0.813 2.265
128 HZ PHE 19 HZ PHE 19 2.333 -0.626 4.697
129 H LYS 20 H LYS 20 -4.927 -3.387 4.693
130 HA LYS 20 HA LYS 20 -6.755 -4.783 2.900
131 HB2 LYS 20 1HB LYS 20 -8.211 -4.953 4.807
132 HB3 LYS 20 2HB LYS 20 -6.561 -5.348 5.278
133 HG2 LYS 20 1HG LYS 20 -6.304 -3.073 6.281
134 HG3 LYS 20 2HG LYS 20 -7.966 -2.682 5.802
135 HD2 LYS 20 1HD LYS 20 -8.813 -4.541 7.211
136 HD3 LYS 20 2HD LYS 20 -7.147 -4.934 7.693
137 HE2 LYS 20 1HE LYS 20 -6.900 -2.661 8.669
138 HE3 LYS 20 2HE LYS 20 -8.554 -2.268 8.185
139 HZ1 LYS 20 3HZ LYS 20 -8.455 -2.974 10.506
140 HZ2 LYS 20 1HZ LYS 20 -7.808 -4.414 10.102
141 HZ3 LYS 20 2HZ LYS 20 -9.337 -4.050 9.656
142 H SER 21 H SER 21 -6.141 -1.506 3.155
143 HA SER 21 HA SER 21 -8.553 -0.844 1.606
144 HB2 SER 21 1HB SER 21 -9.362 -0.448 3.855
145 HB3 SER 21 2HB SER 21 -7.918 0.496 4.259
146 HG SER 21 HG SER 21 -9.857 1.721 3.642
147 H LYS 22 H LYS 22 -8.324 0.964 0.333
148 HA LYS 22 HA LYS 22 -5.718 1.988 -0.364
149 HB2 LYS 22 1HB LYS 22 -7.010 3.699 -1.653
150 HB3 LYS 22 2HB LYS 22 -7.384 2.029 -2.052
151 HG2 LYS 22 1HG LYS 22 -9.494 2.124 -0.827
152 HG3 LYS 22 2HG LYS 22 -9.089 3.709 -0.171
153 HD2 LYS 22 1HD LYS 22 -10.693 3.985 -1.937
154 HD3 LYS 22 2HD LYS 22 -9.152 4.686 -2.450
155 HE2 LYS 22 1HE LYS 22 -8.671 2.646 -3.791
156 HE3 LYS 22 2HE LYS 22 -10.189 1.920 -3.238
157 HZ1 LYS 22 3HZ LYS 22 -11.380 3.733 -4.350
158 HZ2 LYS 22 1HZ LYS 22 -10.438 2.947 -5.425
159 HZ3 LYS 22 2HZ LYS 22 -9.980 4.406 -4.858
160 H GLY 23 H GLY 23 -8.094 3.036 2.016
161 HA2 GLY 23 1HA GLY 23 -6.936 5.628 2.602
162 HA3 GLY 23 2HA GLY 23 -7.984 4.666 3.655
163 H THR 24 H THR 24 -6.512 2.356 4.064
164 HA THR 24 HA THR 24 -4.504 3.090 5.956
165 HB THR 24 HB THR 24 -4.832 0.379 4.620
166 HG1 THR 24 1HG THR 24 -6.211 0.006 6.451
167 HG21 THR 24 3HG2 THR 24 -3.886 1.172 7.413
168 HG22 THR 24 1HG2 THR 24 -2.827 0.646 6.090
169 HG23 THR 24 2HG2 THR 24 -4.010 -0.484 6.769
170 H LEU 25 H LEU 25 -4.202 1.832 2.582
171 HA LEU 25 HA LEU 25 -1.358 1.864 2.462
172 HB2 LEU 25 1HB LEU 25 -2.693 0.693 0.831
173 HB3 LEU 25 2HB LEU 25 -3.558 2.164 0.401
174 HG LEU 25 HG LEU 25 -1.464 3.121 -0.560
175 HD11 LEU 25 1HD1 LEU 25 0.461 1.645 -0.982
176 HD12 LEU 25 2HD1 LEU 25 -0.305 0.351 -0.041
177 HD13 LEU 25 3HD1 LEU 25 0.222 1.852 0.754
178 HD21 LEU 25 3HD2 LEU 25 -2.199 0.401 -1.667
179 HD22 LEU 25 1HD2 LEU 25 -1.437 1.741 -2.551
180 HD23 LEU 25 2HD2 LEU 25 -3.093 1.920 -1.940
181 H LYS 26 H LYS 26 -3.734 4.509 1.743
182 HA LYS 26 HA LYS 26 -1.784 6.431 0.938
183 HB2 LYS 26 1HB LYS 26 -4.173 6.690 0.523
184 HB3 LYS 26 2HB LYS 26 -4.501 6.846 2.256
185 HG2 LYS 26 1HG LYS 26 -3.116 8.883 2.364
186 HG3 LYS 26 2HG LYS 26 -2.723 8.736 0.653
187 HD2 LYS 26 1HD LYS 26 -5.502 9.158 1.842
188 HD3 LYS 26 2HD LYS 26 -4.506 10.428 1.143
189 HE2 LYS 26 1HE LYS 26 -5.590 8.016 -0.389
190 HE3 LYS 26 2HE LYS 26 -6.341 9.608 -0.350
191 HZ1 LYS 26 3HZ LYS 26 -4.326 10.530 -1.364
192 HZ2 LYS 26 1HZ LYS 26 -4.966 9.374 -2.315
193 HZ3 LYS 26 2HZ LYS 26 -3.632 9.050 -1.437
194 H SER 27 H SER 27 -3.200 5.880 4.203
195 HA SER 27 HA SER 27 -1.583 7.712 5.635
196 HB2 SER 27 1HB SER 27 -2.783 5.065 6.519
197 HB3 SER 27 2HB SER 27 -2.066 6.266 7.610
198 HG SER 27 HG SER 27 -4.348 6.520 7.413
199 H HIS 28 H HIS 28 -0.691 4.584 4.334
200 HA HIS 28 HA HIS 28 1.860 4.450 5.812
201 HB2 HIS 28 1HB HIS 28 0.830 2.364 5.326
202 HB3 HIS 28 2HB HIS 28 0.578 2.772 3.636
203 HD1 HIS 28 1HD HIS 28 3.524 1.932 5.996
204 HD2 HIS 28 2HD HIS 28 2.478 2.225 1.933
205 HE1 HIS 28 1HE HIS 28 5.501 1.003 4.704
206 H LYS 29 H LYS 29 0.825 5.255 2.446
207 HA LYS 29 HA LYS 29 3.471 5.774 1.475
208 HB2 LYS 29 1HB LYS 29 0.685 6.493 0.529
209 HB3 LYS 29 2HB LYS 29 2.120 7.143 -0.285
210 HG2 LYS 29 1HG LYS 29 3.015 4.874 -0.608
211 HG3 LYS 29 2HG LYS 29 1.578 4.170 0.154
212 HD2 LYS 29 1HD LYS 29 0.153 4.918 -1.637
213 HD3 LYS 29 2HD LYS 29 1.417 5.989 -2.280
214 HE2 LYS 29 1HE LYS 29 2.856 4.010 -2.734
215 HE3 LYS 29 2HE LYS 29 1.555 2.943 -2.205
216 HZ1 LYS 29 3HZ LYS 29 1.272 4.881 -4.442
217 HZ2 LYS 29 1HZ LYS 29 0.229 3.672 -4.064
218 HZ3 LYS 29 2HZ LYS 29 1.733 3.337 -4.657
219 H LEU 30 H LEU 30 1.296 7.907 3.238
220 HA LEU 30 HA LEU 30 2.793 10.328 2.946
221 HB2 LEU 30 1HB LEU 30 1.121 9.198 5.220
222 HB3 LEU 30 2HB LEU 30 1.784 10.827 5.250
223 HG LEU 30 HG LEU 30 -0.115 9.841 3.078
224 HD11 LEU 30 1HD1 LEU 30 -1.822 11.114 4.283
225 HD12 LEU 30 2HD1 LEU 30 -0.637 11.540 5.546
226 HD13 LEU 30 3HD1 LEU 30 -1.135 9.853 5.326
227 HD21 LEU 30 3HD2 LEU 30 1.252 11.736 2.332
228 HD22 LEU 30 1HD2 LEU 30 0.869 12.627 3.821
229 HD23 LEU 30 2HD2 LEU 30 -0.406 12.263 2.635
230 H LEU 31 H LEU 31 3.607 7.450 4.714
231 HA LEU 31 HA LEU 31 5.744 8.727 6.285
232 HB2 LEU 31 1HB LEU 31 5.301 5.762 5.835
233 HB3 LEU 31 2HB LEU 31 6.251 6.525 7.094
234 HG LEU 31 HG LEU 31 3.215 6.684 6.841
235 HD11 LEU 31 1HD1 LEU 31 3.201 5.251 8.824
236 HD12 LEU 31 2HD1 LEU 31 4.978 5.182 8.813
237 HD13 LEU 31 3HD1 LEU 31 4.044 4.458 7.484
238 HD21 LEU 31 3HD2 LEU 31 4.092 8.711 7.929
239 HD22 LEU 31 1HD2 LEU 31 5.071 7.714 9.032
240 HD23 LEU 31 2HD2 LEU 31 3.295 7.669 9.113
241 H HIS 32 H HIS 32 5.512 7.400 3.061
242 HA HIS 32 HA HIS 32 8.435 7.064 2.759
243 HB2 HIS 32 1HB HIS 32 6.112 6.863 0.810
244 HB3 HIS 32 2HB HIS 32 7.796 6.755 0.328
245 HD1 HIS 32 1HD HIS 32 9.178 4.720 1.944
246 HD2 HIS 32 2HD HIS 32 5.123 4.472 0.890
247 HE1 HIS 32 1HE HIS 32 8.597 2.252 2.016
248 H THR 33 H THR 33 5.959 9.535 2.037
249 HA THR 33 HA THR 33 7.761 11.244 0.526
250 HB THR 33 HB THR 33 5.996 12.997 0.924
251 HG1 THR 33 1HG THR 33 5.143 12.037 2.862
252 HG21 THR 33 3HG2 THR 33 5.977 11.550 -1.085
253 HG22 THR 33 1HG2 THR 33 4.337 11.949 -0.542
254 HG23 THR 33 2HG2 THR 33 5.013 10.340 -0.207
255 H ALA 34 H ALA 34 8.787 13.146 1.136
256 HA ALA 34 HA ALA 34 9.008 13.858 3.996
257 HB1 ALA 34 1HB ALA 34 11.388 12.992 2.287
258 HB2 ALA 34 2HB ALA 34 11.466 13.629 3.946
259 HB3 ALA 34 3HB ALA 34 10.687 12.068 3.636
260 H ASP 35 H ASP 35 10.241 15.844 4.352
261 HA ASP 35 HA ASP 35 9.671 17.861 2.308
262 HB2 ASP 35 1HB ASP 35 10.061 19.451 4.046
263 HB3 ASP 35 2HB ASP 35 9.041 18.165 4.670
264 H GLY 36 H GLY 36 12.357 15.944 2.861
265 HA2 GLY 36 1HA GLY 36 14.407 15.908 1.747
266 HA3 GLY 36 2HA GLY 36 14.075 17.499 1.073
Start of MODEL 12
1 H1 GLY 1 1H GLY 1 -6.477 -24.200 -14.572
2 H2 GLY 1 2H GLY 1 -7.864 -24.030 -15.429
3 H3 GLY 1 3H GLY 1 -7.686 -23.258 -13.995
4 HA2 GLY 1 1HA GLY 1 -6.130 -22.721 -16.443
5 HA3 GLY 1 2HA GLY 1 -7.426 -21.694 -15.801
6 H SER 2 H SER 2 -5.955 -19.929 -15.660
7 HA SER 2 HA SER 2 -3.501 -19.977 -14.198
8 HB2 SER 2 1HB SER 2 -5.289 -17.613 -14.878
9 HB3 SER 2 2HB SER 2 -3.580 -17.540 -14.398
10 HG SER 2 HG SER 2 -3.845 -17.464 -16.683
11 H SER 3 H SER 3 -2.929 -18.944 -12.237
12 HA SER 3 HA SER 3 -4.705 -19.560 -10.059
13 HB2 SER 3 1HB SER 3 -1.976 -18.231 -9.988
14 HB3 SER 3 2HB SER 3 -2.805 -19.037 -8.642
15 HG SER 3 HG SER 3 -1.267 -20.411 -9.650
16 H GLY 4 H GLY 4 -4.796 -16.776 -11.838
17 HA2 GLY 4 1HA GLY 4 -4.858 -14.690 -9.864
18 HA3 GLY 4 2HA GLY 4 -5.523 -14.610 -11.492
19 H SER 5 H SER 5 -6.747 -13.317 -9.426
20 HA SER 5 HA SER 5 -9.398 -14.623 -9.245
21 HB2 SER 5 1HB SER 5 -8.168 -15.319 -7.205
22 HB3 SER 5 2HB SER 5 -7.880 -13.616 -6.804
23 HG SER 5 HG SER 5 -9.743 -14.636 -5.763
24 H SER 6 H SER 6 -11.103 -13.175 -8.679
25 HA SER 6 HA SER 6 -10.770 -10.370 -9.476
26 HB2 SER 6 1HB SER 6 -13.201 -10.248 -9.000
27 HB3 SER 6 2HB SER 6 -12.775 -11.523 -10.153
28 HG SER 6 HG SER 6 -14.258 -12.257 -8.550
29 H GLY 7 H GLY 7 -10.647 -12.181 -6.504
30 HA2 GLY 7 1HA GLY 7 -11.054 -9.913 -4.685
31 HA3 GLY 7 2HA GLY 7 -10.420 -11.507 -4.274
32 H LYS 8 H LYS 8 -9.555 -8.442 -4.119
33 HA LYS 8 HA LYS 8 -6.652 -8.846 -4.715
34 HB2 LYS 8 1HB LYS 8 -8.386 -6.518 -5.662
35 HB3 LYS 8 2HB LYS 8 -6.618 -6.541 -5.720
36 HG2 LYS 8 1HG LYS 8 -6.683 -8.528 -7.192
37 HG3 LYS 8 2HG LYS 8 -8.458 -8.448 -7.200
38 HD2 LYS 8 1HD LYS 8 -8.358 -6.155 -8.149
39 HD3 LYS 8 2HD LYS 8 -6.576 -6.249 -8.169
40 HE2 LYS 8 1HE LYS 8 -6.707 -8.259 -9.598
41 HE3 LYS 8 2HE LYS 8 -8.474 -8.164 -9.579
42 HZ1 LYS 8 3HZ LYS 8 -7.555 -7.149 -11.597
43 HZ2 LYS 8 1HZ LYS 8 -6.669 -6.092 -10.726
44 HZ3 LYS 8 2HZ LYS 8 -8.301 -6.002 -10.709
45 H THR 9 H THR 9 -5.275 -7.209 -3.840
46 HA THR 9 HA THR 9 -6.145 -6.052 -1.213
47 HB THR 9 HB THR 9 -3.533 -7.514 -1.771
48 HG1 THR 9 1HG THR 9 -4.415 -9.153 -0.511
49 HG21 THR 9 3HG2 THR 9 -3.289 -5.907 0.060
50 HG22 THR 9 1HG2 THR 9 -3.342 -7.545 0.717
51 HG23 THR 9 2HG2 THR 9 -4.781 -6.510 0.825
52 H HIS 10 H HIS 10 -5.082 -4.078 -0.630
53 HA HIS 10 HA HIS 10 -3.998 -2.551 -2.892
54 HB2 HIS 10 1HB HIS 10 -4.498 -1.842 0.023
55 HB3 HIS 10 2HB HIS 10 -3.798 -0.743 -1.152
56 HD1 HIS 10 1HD HIS 10 -5.427 0.294 -2.994
57 HD2 HIS 10 2HD HIS 10 -7.158 -2.494 -0.361
58 HE1 HIS 10 1HE HIS 10 -7.943 0.474 -3.324
59 H LEU 11 H LEU 11 -1.885 -2.083 -3.297
60 HA LEU 11 HA LEU 11 0.202 -3.226 -1.484
61 HB2 LEU 11 1HB LEU 11 -0.206 -4.856 -3.126
62 HB3 LEU 11 2HB LEU 11 -0.308 -3.664 -4.427
63 HG LEU 11 HG LEU 11 2.144 -3.250 -4.236
64 HD11 LEU 11 1HD1 LEU 11 2.101 -5.629 -2.329
65 HD12 LEU 11 2HD1 LEU 11 2.521 -3.965 -1.877
66 HD13 LEU 11 3HD1 LEU 11 3.543 -4.854 -3.008
67 HD21 LEU 11 3HD2 LEU 11 1.226 -4.878 -5.843
68 HD22 LEU 11 1HD2 LEU 11 1.331 -6.161 -4.615
69 HD23 LEU 11 2HD2 LEU 11 2.811 -5.394 -5.242
70 H CYS 12 H CYS 12 1.871 -2.041 -1.083
71 HA CYS 12 HA CYS 12 2.244 0.610 -2.251
72 HB2 CYS 12 1HB CYS 12 2.462 -0.160 0.208
73 HB3 CYS 12 2HB CYS 12 3.987 -0.873 -0.263
74 H ASP 13 H ASP 13 3.075 0.513 -4.350
75 HA ASP 13 HA ASP 13 5.012 -1.337 -5.298
76 HB2 ASP 13 1HB ASP 13 3.465 0.093 -6.648
77 HB3 ASP 13 2HB ASP 13 4.447 1.501 -6.242
78 H MET 14 H MET 14 5.502 1.154 -3.060
79 HA MET 14 HA MET 14 8.210 1.979 -3.827
80 HB2 MET 14 1HB MET 14 6.446 2.555 -1.418
81 HB3 MET 14 2HB MET 14 8.003 3.312 -1.709
82 HG2 MET 14 1HG MET 14 7.228 4.379 -3.688
83 HG3 MET 14 2HG MET 14 5.717 3.475 -3.705
84 HE1 MET 14 3HE MET 14 4.551 7.173 -2.978
85 HE2 MET 14 1HE MET 14 5.951 6.690 -3.967
86 HE3 MET 14 2HE MET 14 4.421 5.788 -4.088
87 H CYS 15 H CYS 15 6.753 -0.054 -1.324
88 HA CYS 15 HA CYS 15 9.446 -1.065 -0.507
89 HB2 CYS 15 1HB CYS 15 8.709 -1.108 1.796
90 HB3 CYS 15 2HB CYS 15 8.689 0.521 1.120
91 H GLY 16 H GLY 16 6.157 -1.905 -1.333
92 HA2 GLY 16 1HA GLY 16 5.564 -4.018 -2.173
93 HA3 GLY 16 2HA GLY 16 6.877 -4.781 -1.286
94 H LYS 17 H LYS 17 5.210 -2.717 0.831
95 HA LYS 17 HA LYS 17 3.947 -4.926 2.253
96 HB2 LYS 17 1HB LYS 17 3.961 -1.916 2.714
97 HB3 LYS 17 2HB LYS 17 3.155 -3.072 3.779
98 HG2 LYS 17 1HG LYS 17 5.325 -4.263 4.119
99 HG3 LYS 17 2HG LYS 17 6.137 -3.045 3.118
100 HD2 LYS 17 1HD LYS 17 5.465 -1.276 4.720
101 HD3 LYS 17 2HD LYS 17 4.649 -2.498 5.725
102 HE2 LYS 17 1HE LYS 17 6.822 -3.714 5.963
103 HE3 LYS 17 2HE LYS 17 7.620 -2.455 5.013
104 HZ1 LYS 17 3HZ LYS 17 7.880 -2.081 7.401
105 HZ2 LYS 17 1HZ LYS 17 6.268 -2.015 7.627
106 HZ3 LYS 17 2HZ LYS 17 7.023 -0.855 6.754
107 H LYS 18 H LYS 18 1.887 -5.394 2.629
108 HA LYS 18 HA LYS 18 -0.136 -4.397 0.678
109 HB2 LYS 18 1HB LYS 18 0.374 -7.089 1.955
110 HB3 LYS 18 2HB LYS 18 -1.207 -6.684 1.291
111 HG2 LYS 18 1HG LYS 18 -0.314 -6.283 -0.914
112 HG3 LYS 18 2HG LYS 18 1.352 -6.410 -0.324
113 HD2 LYS 18 1HD LYS 18 0.984 -8.772 0.284
114 HD3 LYS 18 2HD LYS 18 -0.691 -8.672 -0.311
115 HE2 LYS 18 1HE LYS 18 0.155 -8.101 -2.580
116 HE3 LYS 18 2HE LYS 18 1.819 -8.184 -1.986
117 HZ1 LYS 18 3HZ LYS 18 1.456 -10.543 -1.489
118 HZ2 LYS 18 1HZ LYS 18 1.163 -10.258 -3.068
119 HZ3 LYS 18 2HZ LYS 18 -0.084 -10.470 -2.036
120 H PHE 19 H PHE 19 -2.142 -3.871 1.248
121 HA PHE 19 HA PHE 19 -2.850 -3.539 4.129
122 HB2 PHE 19 1HB PHE 19 -2.857 -1.404 1.962
123 HB3 PHE 19 2HB PHE 19 -3.448 -1.186 3.599
124 HD1 PHE 19 2HD PHE 19 -1.829 -1.380 5.562
125 HD2 PHE 19 1HD PHE 19 -0.493 -1.301 1.468
126 HE1 PHE 19 2HE PHE 19 0.469 -0.833 6.324
127 HE2 PHE 19 1HE PHE 19 1.803 -0.762 2.232
128 HZ PHE 19 HZ PHE 19 2.293 -0.540 4.659
129 H LYS 20 H LYS 20 -5.049 -3.174 4.594
130 HA LYS 20 HA LYS 20 -6.832 -4.779 2.982
131 HB2 LYS 20 1HB LYS 20 -6.711 -4.734 5.475
132 HB3 LYS 20 2HB LYS 20 -7.398 -3.103 5.464
133 HG2 LYS 20 1HG LYS 20 -9.490 -3.958 4.492
134 HG3 LYS 20 2HG LYS 20 -8.766 -5.557 4.269
135 HD2 LYS 20 1HD LYS 20 -10.236 -5.602 6.182
136 HD3 LYS 20 2HD LYS 20 -8.567 -5.816 6.728
137 HE2 LYS 20 1HE LYS 20 -8.476 -3.419 7.389
138 HE3 LYS 20 2HE LYS 20 -10.126 -3.186 6.796
139 HZ1 LYS 20 3HZ LYS 20 -10.088 -3.550 9.197
140 HZ2 LYS 20 1HZ LYS 20 -9.357 -4.998 9.025
141 HZ3 LYS 20 2HZ LYS 20 -10.882 -4.780 8.480
142 H SER 21 H SER 21 -6.443 -1.301 3.277
143 HA SER 21 HA SER 21 -8.543 -0.848 1.216
144 HB2 SER 21 1HB SER 21 -9.635 -0.571 3.404
145 HB3 SER 21 2HB SER 21 -8.402 0.610 3.881
146 HG SER 21 HG SER 21 -10.393 1.523 3.028
147 H LYS 22 H LYS 22 -8.410 1.206 0.177
148 HA LYS 22 HA LYS 22 -5.764 2.093 -0.483
149 HB2 LYS 22 1HB LYS 22 -8.097 2.278 -1.765
150 HB3 LYS 22 2HB LYS 22 -8.198 3.832 -0.934
151 HG2 LYS 22 1HG LYS 22 -6.000 4.471 -1.917
152 HG3 LYS 22 2HG LYS 22 -5.915 2.904 -2.740
153 HD2 LYS 22 1HD LYS 22 -8.024 3.434 -3.949
154 HD3 LYS 22 2HD LYS 22 -8.077 5.023 -3.182
155 HE2 LYS 22 1HE LYS 22 -5.806 4.014 -4.964
156 HE3 LYS 22 2HE LYS 22 -7.168 4.977 -5.540
157 HZ1 LYS 22 3HZ LYS 22 -5.273 6.389 -5.069
158 HZ2 LYS 22 1HZ LYS 22 -5.188 5.889 -3.520
159 HZ3 LYS 22 2HZ LYS 22 -6.475 6.762 -4.035
160 H GLY 23 H GLY 23 -8.151 3.324 1.835
161 HA2 GLY 23 1HA GLY 23 -6.753 5.739 2.583
162 HA3 GLY 23 2HA GLY 23 -7.970 4.887 3.538
163 H THR 24 H THR 24 -6.568 2.359 3.763
164 HA THR 24 HA THR 24 -4.727 2.846 5.923
165 HB THR 24 HB THR 24 -4.946 0.282 4.315
166 HG1 THR 24 1HG THR 24 -6.610 1.118 6.449
167 HG21 THR 24 3HG2 THR 24 -4.462 -0.795 6.450
168 HG22 THR 24 1HG2 THR 24 -4.435 0.784 7.275
169 HG23 THR 24 2HG2 THR 24 -3.195 0.387 6.071
170 H LEU 25 H LEU 25 -4.240 1.793 2.503
171 HA LEU 25 HA LEU 25 -1.388 1.779 2.545
172 HB2 LEU 25 1HB LEU 25 -2.637 0.696 0.790
173 HB3 LEU 25 2HB LEU 25 -3.479 2.186 0.389
174 HG LEU 25 HG LEU 25 -1.332 3.178 -0.428
175 HD11 LEU 25 1HD1 LEU 25 0.613 1.710 -0.808
176 HD12 LEU 25 2HD1 LEU 25 -0.219 0.370 -0.010
177 HD13 LEU 25 3HD1 LEU 25 0.261 1.811 0.915
178 HD21 LEU 25 3HD2 LEU 25 -1.244 1.927 -2.489
179 HD22 LEU 25 1HD2 LEU 25 -2.926 2.019 -1.929
180 HD23 LEU 25 2HD2 LEU 25 -1.993 0.516 -1.718
181 H LYS 26 H LYS 26 -3.682 4.444 1.717
182 HA LYS 26 HA LYS 26 -1.753 6.439 1.134
183 HB2 LYS 26 1HB LYS 26 -4.158 6.643 0.645
184 HB3 LYS 26 2HB LYS 26 -4.532 6.687 2.371
185 HG2 LYS 26 1HG LYS 26 -3.239 8.796 2.610
186 HG3 LYS 26 2HG LYS 26 -2.800 8.717 0.902
187 HD2 LYS 26 1HD LYS 26 -4.582 10.306 1.132
188 HD3 LYS 26 2HD LYS 26 -5.251 8.881 0.318
189 HE2 LYS 26 1HE LYS 26 -6.222 8.104 2.466
190 HE3 LYS 26 2HE LYS 26 -5.492 9.478 3.306
191 HZ1 LYS 26 3HZ LYS 26 -6.870 10.959 1.947
192 HZ2 LYS 26 1HZ LYS 26 -7.818 9.911 2.759
193 HZ3 LYS 26 2HZ LYS 26 -7.546 9.693 1.165
194 H SER 27 H SER 27 -3.257 5.661 4.282
195 HA SER 27 HA SER 27 -1.834 7.558 5.860
196 HB2 SER 27 1HB SER 27 -2.901 4.823 6.674
197 HB3 SER 27 2HB SER 27 -2.416 6.123 7.774
198 HG SER 27 HG SER 27 -4.578 6.082 5.930
199 H HIS 28 H HIS 28 -0.750 4.512 4.530
200 HA HIS 28 HA HIS 28 1.715 4.403 6.163
201 HB2 HIS 28 1HB HIS 28 0.880 2.277 5.639
202 HB3 HIS 28 2HB HIS 28 0.504 2.705 3.976
203 HD1 HIS 28 1HD HIS 28 3.667 2.051 6.117
204 HD2 HIS 28 2HD HIS 28 2.303 2.295 2.149
205 HE1 HIS 28 1HE HIS 28 5.628 1.346 4.666
206 H LYS 29 H LYS 29 0.824 5.200 2.762
207 HA LYS 29 HA LYS 29 3.475 5.676 1.852
208 HB2 LYS 29 1HB LYS 29 0.751 6.573 0.850
209 HB3 LYS 29 2HB LYS 29 2.254 7.062 0.052
210 HG2 LYS 29 1HG LYS 29 2.895 4.636 -0.107
211 HG3 LYS 29 2HG LYS 29 1.253 4.218 0.428
212 HD2 LYS 29 1HD LYS 29 0.312 5.555 -1.448
213 HD3 LYS 29 2HD LYS 29 1.942 5.998 -1.957
214 HE2 LYS 29 1HE LYS 29 0.678 3.259 -2.059
215 HE3 LYS 29 2HE LYS 29 1.110 4.333 -3.388
216 HZ1 LYS 29 3HZ LYS 29 3.480 4.089 -2.581
217 HZ2 LYS 29 1HZ LYS 29 2.835 2.740 -3.239
218 HZ3 LYS 29 2HZ LYS 29 2.999 2.857 -1.614
219 H LEU 30 H LEU 30 1.511 7.816 3.762
220 HA LEU 30 HA LEU 30 2.922 10.257 3.406
221 HB2 LEU 30 1HB LEU 30 1.713 8.970 5.886
222 HB3 LEU 30 2HB LEU 30 2.292 10.633 5.842
223 HG LEU 30 HG LEU 30 0.081 9.575 4.029
224 HD11 LEU 30 1HD1 LEU 30 -0.568 9.513 6.410
225 HD12 LEU 30 2HD1 LEU 30 -1.468 10.741 5.505
226 HD13 LEU 30 3HD1 LEU 30 -0.127 11.228 6.571
227 HD21 LEU 30 3HD2 LEU 30 1.040 12.400 4.632
228 HD22 LEU 30 1HD2 LEU 30 -0.411 11.983 3.692
229 HD23 LEU 30 2HD2 LEU 30 1.185 11.540 3.083
230 H LEU 31 H LEU 31 4.016 7.299 4.985
231 HA LEU 31 HA LEU 31 6.333 8.505 6.281
232 HB2 LEU 31 1HB LEU 31 5.770 5.601 5.572
233 HB3 LEU 31 2HB LEU 31 7.001 6.178 6.684
234 HG LEU 31 HG LEU 31 3.988 6.466 7.112
235 HD11 LEU 31 1HD1 LEU 31 4.302 4.769 8.850
236 HD12 LEU 31 2HD1 LEU 31 6.029 4.634 8.435
237 HD13 LEU 31 3HD1 LEU 31 4.784 4.142 7.264
238 HD21 LEU 31 3HD2 LEU 31 6.335 7.113 8.952
239 HD22 LEU 31 1HD2 LEU 31 4.620 7.108 9.422
240 HD23 LEU 31 2HD2 LEU 31 5.199 8.283 8.239
241 H HIS 32 H HIS 32 5.694 7.401 3.023
242 HA HIS 32 HA HIS 32 8.572 7.339 2.291
243 HB2 HIS 32 1HB HIS 32 6.070 6.949 0.608
244 HB3 HIS 32 2HB HIS 32 7.723 6.800 0.039
245 HD1 HIS 32 1HD HIS 32 9.126 4.816 1.819
246 HD2 HIS 32 2HD HIS 32 5.070 4.601 0.779
247 HE1 HIS 32 1HE HIS 32 8.489 2.373 2.041
248 H THR 33 H THR 33 5.636 9.351 1.720
249 HA THR 33 HA THR 33 7.085 11.234 0.019
250 HB THR 33 HB THR 33 4.999 12.494 -0.025
251 HG1 THR 33 1HG THR 33 3.211 11.630 1.110
252 HG21 THR 33 3HG2 THR 33 5.222 10.512 -1.520
253 HG22 THR 33 1HG2 THR 33 3.543 10.851 -1.064
254 HG23 THR 33 2HG2 THR 33 4.416 9.512 -0.291
255 H ALA 34 H ALA 34 6.405 11.063 3.432
256 HA ALA 34 HA ALA 34 6.626 12.408 5.179
257 HB1 ALA 34 1HB ALA 34 8.567 13.841 5.374
258 HB2 ALA 34 2HB ALA 34 9.005 12.333 4.552
259 HB3 ALA 34 3HB ALA 34 8.803 13.832 3.615
260 H ASP 35 H ASP 35 4.628 13.105 3.141
261 HA ASP 35 HA ASP 35 4.405 15.978 2.993
262 HB2 ASP 35 1HB ASP 35 3.470 14.434 1.316
263 HB3 ASP 35 2HB ASP 35 2.340 13.804 2.517
264 H GLY 36 H GLY 36 3.052 17.403 4.055
265 HA2 GLY 36 1HA GLY 36 1.147 16.821 6.099
266 HA3 GLY 36 2HA GLY 36 2.706 17.147 6.857
Start of MODEL 13
1 H1 GLY 1 1H GLY 1 -12.315 -24.102 -2.737
2 H2 GLY 1 2H GLY 1 -12.384 -22.517 -3.154
3 H3 GLY 1 3H GLY 1 -13.749 -23.421 -3.149
4 HA2 GLY 1 1HA GLY 1 -13.633 -23.709 -0.765
5 HA3 GLY 1 2HA GLY 1 -12.147 -22.742 -0.767
6 H SER 2 H SER 2 -14.264 -22.005 0.828
7 HA SER 2 HA SER 2 -16.096 -20.144 -0.314
8 HB2 SER 2 1HB SER 2 -15.038 -20.283 2.533
9 HB3 SER 2 2HB SER 2 -16.502 -19.436 1.993
10 HG SER 2 HG SER 2 -16.966 -21.527 2.838
11 H SER 3 H SER 3 -16.185 -17.894 -0.299
12 HA SER 3 HA SER 3 -13.831 -16.271 0.409
13 HB2 SER 3 1HB SER 3 -13.460 -17.154 -1.941
14 HB3 SER 3 2HB SER 3 -14.899 -16.244 -2.440
15 HG SER 3 HG SER 3 -12.908 -15.085 -2.735
16 H GLY 4 H GLY 4 -14.273 -13.922 0.040
17 HA2 GLY 4 1HA GLY 4 -16.918 -12.887 -0.333
18 HA3 GLY 4 2HA GLY 4 -16.563 -12.993 1.394
19 H SER 5 H SER 5 -17.080 -10.572 0.316
20 HA SER 5 HA SER 5 -16.412 -8.447 -0.067
21 HB2 SER 5 1HB SER 5 -15.246 -8.921 2.137
22 HB3 SER 5 2HB SER 5 -13.745 -9.090 1.208
23 HG SER 5 HG SER 5 -14.157 -6.940 2.034
24 H SER 6 H SER 6 -14.142 -7.158 -0.850
25 HA SER 6 HA SER 6 -14.028 -7.709 -3.657
26 HB2 SER 6 1HB SER 6 -12.203 -5.974 -1.947
27 HB3 SER 6 2HB SER 6 -12.303 -5.946 -3.719
28 HG SER 6 HG SER 6 -13.609 -4.318 -2.742
29 H GLY 7 H GLY 7 -12.577 -8.731 -4.949
30 HA2 GLY 7 1HA GLY 7 -10.832 -10.736 -3.795
31 HA3 GLY 7 2HA GLY 7 -11.111 -10.419 -5.506
32 H LYS 8 H LYS 8 -10.193 -7.480 -4.636
33 HA LYS 8 HA LYS 8 -7.324 -7.915 -5.297
34 HB2 LYS 8 1HB LYS 8 -8.993 -5.363 -5.313
35 HB3 LYS 8 2HB LYS 8 -7.326 -5.510 -5.867
36 HG2 LYS 8 1HG LYS 8 -9.732 -6.846 -7.149
37 HG3 LYS 8 2HG LYS 8 -8.861 -5.421 -7.715
38 HD2 LYS 8 1HD LYS 8 -6.751 -6.890 -7.816
39 HD3 LYS 8 2HD LYS 8 -7.837 -8.288 -7.580
40 HE2 LYS 8 1HE LYS 8 -9.184 -7.519 -9.533
41 HE3 LYS 8 2HE LYS 8 -8.066 -6.163 -9.742
42 HZ1 LYS 8 3HZ LYS 8 -7.316 -9.037 -9.979
43 HZ2 LYS 8 1HZ LYS 8 -6.287 -7.783 -10.177
44 HZ3 LYS 8 2HZ LYS 8 -7.508 -8.013 -11.234
45 H THR 9 H THR 9 -5.679 -6.685 -4.304
46 HA THR 9 HA THR 9 -6.139 -5.914 -1.442
47 HB THR 9 HB THR 9 -3.603 -7.233 -2.474
48 HG1 THR 9 1HG THR 9 -5.264 -8.741 -2.564
49 HG21 THR 9 3HG2 THR 9 -4.692 -6.711 0.330
50 HG22 THR 9 1HG2 THR 9 -3.260 -5.963 -0.415
51 HG23 THR 9 2HG2 THR 9 -3.258 -7.691 -0.041
52 H HIS 10 H HIS 10 -5.015 -4.083 -0.721
53 HA HIS 10 HA HIS 10 -4.061 -2.261 -2.842
54 HB2 HIS 10 1HB HIS 10 -4.498 -1.826 0.135
55 HB3 HIS 10 2HB HIS 10 -4.113 -0.585 -1.045
56 HD1 HIS 10 1HD HIS 10 -6.106 0.202 -2.683
57 HD2 HIS 10 2HD HIS 10 -7.037 -2.823 0.085
58 HE1 HIS 10 1HE HIS 10 -8.651 0.043 -2.627
59 H LEU 11 H LEU 11 -1.909 -1.547 -3.047
60 HA LEU 11 HA LEU 11 0.143 -2.963 -1.392
61 HB2 LEU 11 1HB LEU 11 -0.281 -4.336 -3.267
62 HB3 LEU 11 2HB LEU 11 -0.326 -2.959 -4.375
63 HG LEU 11 HG LEU 11 2.145 -2.639 -4.023
64 HD11 LEU 11 1HD1 LEU 11 1.939 -5.357 -2.654
65 HD12 LEU 11 2HD1 LEU 11 2.373 -3.838 -1.844
66 HD13 LEU 11 3HD1 LEU 11 3.433 -4.508 -3.085
67 HD21 LEU 11 3HD2 LEU 11 2.780 -4.555 -5.416
68 HD22 LEU 11 1HD2 LEU 11 1.254 -3.838 -5.956
69 HD23 LEU 11 2HD2 LEU 11 1.237 -5.359 -5.027
70 H CYS 12 H CYS 12 1.877 -1.919 -0.851
71 HA CYS 12 HA CYS 12 2.455 0.843 -1.592
72 HB2 CYS 12 1HB CYS 12 2.871 -0.106 0.656
73 HB3 CYS 12 2HB CYS 12 4.011 -1.259 -0.047
74 H ASP 13 H ASP 13 3.542 1.430 -3.372
75 HA ASP 13 HA ASP 13 4.925 -0.542 -5.068
76 HB2 ASP 13 1HB ASP 13 3.422 1.197 -5.980
77 HB3 ASP 13 2HB ASP 13 4.523 2.451 -5.395
78 H MET 14 H MET 14 5.807 1.341 -2.400
79 HA MET 14 HA MET 14 8.546 1.975 -3.321
80 HB2 MET 14 1HB MET 14 7.087 2.690 -0.757
81 HB3 MET 14 2HB MET 14 8.640 3.302 -1.286
82 HG2 MET 14 1HG MET 14 7.235 4.993 -1.753
83 HG3 MET 14 2HG MET 14 7.439 4.246 -3.334
84 HE1 MET 14 3HE MET 14 5.445 6.107 -3.679
85 HE2 MET 14 1HE MET 14 3.852 6.002 -2.883
86 HE3 MET 14 2HE MET 14 5.313 6.363 -1.926
87 H CYS 15 H CYS 15 6.966 0.070 -0.758
88 HA CYS 15 HA CYS 15 9.526 -1.392 -0.340
89 HB2 CYS 15 1HB CYS 15 9.250 -1.523 2.005
90 HB3 CYS 15 2HB CYS 15 9.294 0.155 1.493
91 H GLY 16 H GLY 16 6.349 -1.746 -1.304
92 HA2 GLY 16 1HA GLY 16 5.483 -3.697 -2.218
93 HA3 GLY 16 2HA GLY 16 6.777 -4.616 -1.474
94 H LYS 17 H LYS 17 5.157 -2.826 0.913
95 HA LYS 17 HA LYS 17 3.887 -5.166 2.094
96 HB2 LYS 17 1HB LYS 17 3.825 -2.211 2.847
97 HB3 LYS 17 2HB LYS 17 3.130 -3.509 3.823
98 HG2 LYS 17 1HG LYS 17 5.370 -4.580 4.007
99 HG3 LYS 17 2HG LYS 17 6.074 -3.262 3.053
100 HD2 LYS 17 1HD LYS 17 5.195 -1.645 4.803
101 HD3 LYS 17 2HD LYS 17 4.785 -3.038 5.809
102 HE2 LYS 17 1HE LYS 17 7.562 -2.349 4.727
103 HE3 LYS 17 2HE LYS 17 6.993 -1.969 6.355
104 HZ1 LYS 17 3HZ LYS 17 7.315 -4.714 5.268
105 HZ2 LYS 17 1HZ LYS 17 6.746 -4.364 6.762
106 HZ3 LYS 17 2HZ LYS 17 8.285 -4.004 6.367
107 H LYS 18 H LYS 18 1.814 -5.678 2.379
108 HA LYS 18 HA LYS 18 -0.175 -4.441 0.533
109 HB2 LYS 18 1HB LYS 18 0.305 -7.250 1.520
110 HB3 LYS 18 2HB LYS 18 -1.291 -6.770 0.956
111 HG2 LYS 18 1HG LYS 18 -0.466 -6.142 -1.222
112 HG3 LYS 18 2HG LYS 18 1.218 -6.326 -0.706
113 HD2 LYS 18 1HD LYS 18 0.860 -8.746 -0.343
114 HD3 LYS 18 2HD LYS 18 -0.832 -8.579 -0.869
115 HE2 LYS 18 1HE LYS 18 -0.056 -7.765 -3.088
116 HE3 LYS 18 2HE LYS 18 1.626 -7.918 -2.560
117 HZ1 LYS 18 3HZ LYS 18 0.921 -9.859 -3.839
118 HZ2 LYS 18 1HZ LYS 18 -0.293 -10.178 -2.797
119 HZ3 LYS 18 2HZ LYS 18 1.261 -10.316 -2.311
120 H PHE 19 H PHE 19 -2.203 -3.983 1.119
121 HA PHE 19 HA PHE 19 -2.901 -3.811 4.016
122 HB2 PHE 19 1HB PHE 19 -2.936 -1.587 1.942
123 HB3 PHE 19 2HB PHE 19 -3.568 -1.438 3.571
124 HD1 PHE 19 2HD PHE 19 -1.990 -1.649 5.558
125 HD2 PHE 19 1HD PHE 19 -0.563 -1.459 1.499
126 HE1 PHE 19 2HE PHE 19 0.283 -1.090 6.385
127 HE2 PHE 19 1HE PHE 19 1.708 -0.917 2.326
128 HZ PHE 19 HZ PHE 19 2.141 -0.738 4.769
129 H LYS 20 H LYS 20 -5.071 -3.503 4.529
130 HA LYS 20 HA LYS 20 -6.931 -4.943 2.811
131 HB2 LYS 20 1HB LYS 20 -6.626 -5.241 5.283
132 HB3 LYS 20 2HB LYS 20 -7.363 -3.654 5.540
133 HG2 LYS 20 1HG LYS 20 -9.481 -4.458 4.572
134 HG3 LYS 20 2HG LYS 20 -8.725 -6.009 4.152
135 HD2 LYS 20 1HD LYS 20 -8.343 -6.468 6.561
136 HD3 LYS 20 2HD LYS 20 -9.086 -4.905 6.977
137 HE2 LYS 20 1HE LYS 20 -11.206 -5.634 5.902
138 HE3 LYS 20 2HE LYS 20 -10.467 -7.186 5.487
139 HZ1 LYS 20 3HZ LYS 20 -10.885 -6.186 8.257
140 HZ2 LYS 20 1HZ LYS 20 -10.202 -7.623 7.874
141 HZ3 LYS 20 2HZ LYS 20 -11.773 -7.345 7.529
142 H SER 21 H SER 21 -6.335 -1.571 3.294
143 HA SER 21 HA SER 21 -8.656 -0.857 1.588
144 HB2 SER 21 1HB SER 21 -9.520 -0.580 3.835
145 HB3 SER 21 2HB SER 21 -8.096 0.359 4.315
146 HG SER 21 HG SER 21 -10.017 1.605 3.721
147 H LYS 22 H LYS 22 -8.434 1.028 0.438
148 HA LYS 22 HA LYS 22 -5.820 2.042 -0.218
149 HB2 LYS 22 1HB LYS 22 -7.082 3.819 -1.447
150 HB3 LYS 22 2HB LYS 22 -7.479 2.175 -1.906
151 HG2 LYS 22 1HG LYS 22 -9.572 2.256 -0.614
152 HG3 LYS 22 2HG LYS 22 -9.169 3.879 -0.032
153 HD2 LYS 22 1HD LYS 22 -9.212 4.727 -2.365
154 HD3 LYS 22 2HD LYS 22 -9.610 3.095 -2.948
155 HE2 LYS 22 1HE LYS 22 -11.687 3.117 -1.582
156 HE3 LYS 22 2HE LYS 22 -11.291 4.738 -0.999
157 HZ1 LYS 22 3HZ LYS 22 -12.848 4.826 -2.860
158 HZ2 LYS 22 1HZ LYS 22 -11.812 4.034 -3.841
159 HZ3 LYS 22 2HZ LYS 22 -11.445 5.533 -3.301
160 H GLY 23 H GLY 23 -8.169 3.077 2.218
161 HA2 GLY 23 1HA GLY 23 -6.882 5.617 2.828
162 HA3 GLY 23 2HA GLY 23 -8.003 4.726 3.859
163 H THR 24 H THR 24 -6.547 2.283 4.117
164 HA THR 24 HA THR 24 -4.551 2.897 6.094
165 HB THR 24 HB THR 24 -4.932 0.246 4.659
166 HG1 THR 24 1HG THR 24 -6.341 -0.170 6.456
167 HG21 THR 24 3HG2 THR 24 -2.941 0.428 6.157
168 HG22 THR 24 1HG2 THR 24 -4.149 -0.707 6.781
169 HG23 THR 24 2HG2 THR 24 -4.006 0.923 7.487
170 H LEU 25 H LEU 25 -4.298 1.739 2.671
171 HA LEU 25 HA LEU 25 -1.452 1.751 2.565
172 HB2 LEU 25 1HB LEU 25 -2.766 0.600 0.909
173 HB3 LEU 25 2HB LEU 25 -3.638 2.070 0.496
174 HG LEU 25 HG LEU 25 -1.520 3.060 -0.419
175 HD11 LEU 25 1HD1 LEU 25 0.408 1.570 -0.823
176 HD12 LEU 25 2HD1 LEU 25 -0.388 0.273 0.078
177 HD13 LEU 25 3HD1 LEU 25 0.133 1.757 0.905
178 HD21 LEU 25 3HD2 LEU 25 -1.484 1.756 -2.444
179 HD22 LEU 25 1HD2 LEU 25 -3.149 1.858 -1.835
180 HD23 LEU 25 2HD2 LEU 25 -2.199 0.370 -1.606
181 H LYS 26 H LYS 26 -3.810 4.412 1.825
182 HA LYS 26 HA LYS 26 -1.908 6.370 1.051
183 HB2 LYS 26 1HB LYS 26 -4.335 6.630 0.785
184 HB3 LYS 26 2HB LYS 26 -4.553 6.675 2.540
185 HG2 LYS 26 1HG LYS 26 -3.196 8.777 2.637
186 HG3 LYS 26 2HG LYS 26 -2.981 8.692 0.887
187 HD2 LYS 26 1HD LYS 26 -4.723 10.274 1.316
188 HD3 LYS 26 2HD LYS 26 -5.501 8.833 0.641
189 HE2 LYS 26 1HE LYS 26 -6.149 8.109 2.927
190 HE3 LYS 26 2HE LYS 26 -5.312 9.507 3.616
191 HZ1 LYS 26 3HZ LYS 26 -7.652 9.660 1.786
192 HZ2 LYS 26 1HZ LYS 26 -6.878 10.948 2.430
193 HZ3 LYS 26 2HZ LYS 26 -7.696 9.921 3.396
194 H SER 27 H SER 27 -3.159 5.652 4.310
195 HA SER 27 HA SER 27 -1.578 7.492 5.786
196 HB2 SER 27 1HB SER 27 -2.589 4.758 6.663
197 HB3 SER 27 2HB SER 27 -2.026 6.058 7.722
198 HG SER 27 HG SER 27 -4.330 6.009 6.053
199 H HIS 28 H HIS 28 -0.625 4.471 4.313
200 HA HIS 28 HA HIS 28 1.973 4.378 5.730
201 HB2 HIS 28 1HB HIS 28 0.824 2.287 5.384
202 HB3 HIS 28 2HB HIS 28 0.672 2.585 3.654
203 HD1 HIS 28 1HD HIS 28 3.434 1.823 6.246
204 HD2 HIS 28 2HD HIS 28 2.704 1.991 2.107
205 HE1 HIS 28 1HE HIS 28 5.520 0.890 5.139
206 H LYS 29 H LYS 29 0.775 5.038 2.386
207 HA LYS 29 HA LYS 29 3.346 5.490 1.200
208 HB2 LYS 29 1HB LYS 29 0.528 6.356 0.478
209 HB3 LYS 29 2HB LYS 29 1.934 6.897 -0.447
210 HG2 LYS 29 1HG LYS 29 2.619 4.540 -0.819
211 HG3 LYS 29 2HG LYS 29 1.151 3.987 0.006
212 HD2 LYS 29 1HD LYS 29 -0.263 5.015 -1.693
213 HD3 LYS 29 2HD LYS 29 1.134 5.828 -2.427
214 HE2 LYS 29 1HE LYS 29 2.132 3.620 -2.984
215 HE3 LYS 29 2HE LYS 29 0.701 2.815 -2.329
216 HZ1 LYS 29 3HZ LYS 29 0.710 4.683 -4.642
217 HZ2 LYS 29 1HZ LYS 29 -0.632 3.990 -4.021
218 HZ3 LYS 29 2HZ LYS 29 0.512 3.064 -4.726
219 H LEU 30 H LEU 30 1.300 7.697 3.058
220 HA LEU 30 HA LEU 30 2.748 10.106 2.664
221 HB2 LEU 30 1HB LEU 30 1.270 8.940 5.051
222 HB3 LEU 30 2HB LEU 30 1.972 10.552 5.094
223 HG LEU 30 HG LEU 30 -0.098 9.704 3.024
224 HD11 LEU 30 1HD1 LEU 30 -1.001 9.634 5.321
225 HD12 LEU 30 2HD1 LEU 30 -1.695 10.972 4.390
226 HD13 LEU 30 3HD1 LEU 30 -0.430 11.291 5.602
227 HD21 LEU 30 3HD2 LEU 30 -0.368 12.154 2.729
228 HD22 LEU 30 1HD2 LEU 30 1.249 11.611 2.278
229 HD23 LEU 30 2HD2 LEU 30 0.996 12.429 3.834
230 H LEU 31 H LEU 31 3.712 7.271 4.515
231 HA LEU 31 HA LEU 31 5.874 8.591 5.956
232 HB2 LEU 31 1HB LEU 31 5.529 5.625 5.411
233 HB3 LEU 31 2HB LEU 31 6.499 6.367 6.667
234 HG LEU 31 HG LEU 31 3.450 6.446 6.529
235 HD11 LEU 31 1HD1 LEU 31 5.323 4.900 8.362
236 HD12 LEU 31 2HD1 LEU 31 4.365 4.216 7.029
237 HD13 LEU 31 3HD1 LEU 31 3.544 4.918 8.434
238 HD21 LEU 31 3HD2 LEU 31 5.359 7.421 8.697
239 HD22 LEU 31 1HD2 LEU 31 3.590 7.324 8.839
240 HD23 LEU 31 2HD2 LEU 31 4.315 8.441 7.679
241 H HIS 32 H HIS 32 5.597 7.430 2.710
242 HA HIS 32 HA HIS 32 8.533 7.172 2.333
243 HB2 HIS 32 1HB HIS 32 6.156 6.523 0.555
244 HB3 HIS 32 2HB HIS 32 7.829 6.403 0.041
245 HD1 HIS 32 1HD HIS 32 9.383 4.575 1.492
246 HD2 HIS 32 2HD HIS 32 5.192 4.320 1.586
247 HE1 HIS 32 1HE HIS 32 8.853 2.174 2.124
248 H THR 33 H THR 33 6.480 9.776 2.367
249 HA THR 33 HA THR 33 8.033 11.269 0.316
250 HB THR 33 HB THR 33 6.013 10.298 -0.756
251 HG1 THR 33 1HG THR 33 5.501 12.202 -1.780
252 HG21 THR 33 3HG2 THR 33 3.816 11.253 -0.354
253 HG22 THR 33 1HG2 THR 33 4.441 12.259 0.968
254 HG23 THR 33 2HG2 THR 33 4.409 10.491 1.127
255 H ALA 34 H ALA 34 7.161 13.651 0.299
256 HA ALA 34 HA ALA 34 7.800 14.738 2.934
257 HB1 ALA 34 1HB ALA 34 8.746 15.671 0.855
258 HB2 ALA 34 2HB ALA 34 7.112 16.102 0.297
259 HB3 ALA 34 3HB ALA 34 7.803 16.886 1.734
260 H ASP 35 H ASP 35 6.555 16.483 3.941
261 HA ASP 35 HA ASP 35 3.777 15.733 4.326
262 HB2 ASP 35 1HB ASP 35 3.819 17.277 6.150
263 HB3 ASP 35 2HB ASP 35 5.300 16.334 6.171
264 H GLY 36 H GLY 36 5.187 17.841 2.086
265 HA2 GLY 36 1HA GLY 36 2.658 18.833 1.098
266 HA3 GLY 36 2HA GLY 36 3.564 20.111 1.910
Start of MODEL 14
1 H1 GLY 1 1H GLY 1 3.164 -8.928 -11.282
2 H2 GLY 1 2H GLY 1 3.541 -7.774 -12.384
3 H3 GLY 1 3H GLY 1 4.025 -9.322 -12.617
4 HA2 GLY 1 1HA GLY 1 1.230 -8.378 -12.613
5 HA3 GLY 1 2HA GLY 1 2.165 -8.823 -14.052
6 H SER 2 H SER 2 0.580 -10.377 -14.559
7 HA SER 2 HA SER 2 -0.384 -12.388 -14.731
8 HB2 SER 2 1HB SER 2 1.871 -13.441 -13.003
9 HB3 SER 2 2HB SER 2 0.776 -14.403 -14.006
10 HG SER 2 HG SER 2 2.756 -13.937 -15.079
11 H SER 3 H SER 3 -1.458 -14.219 -13.694
12 HA SER 3 HA SER 3 -3.073 -15.097 -12.453
13 HB2 SER 3 1HB SER 3 -1.631 -13.908 -10.073
14 HB3 SER 3 2HB SER 3 -2.843 -15.198 -10.037
15 HG SER 3 HG SER 3 -0.694 -16.024 -10.040
16 H GLY 4 H GLY 4 -2.756 -11.657 -11.604
17 HA2 GLY 4 1HA GLY 4 -4.355 -10.005 -11.585
18 HA3 GLY 4 2HA GLY 4 -5.557 -11.184 -12.106
19 H SER 5 H SER 5 -5.084 -12.897 -9.664
20 HA SER 5 HA SER 5 -7.105 -11.886 -7.971
21 HB2 SER 5 1HB SER 5 -6.395 -13.742 -6.453
22 HB3 SER 5 2HB SER 5 -6.651 -14.237 -8.136
23 HG SER 5 HG SER 5 -4.697 -15.088 -7.233
24 H SER 6 H SER 6 -3.642 -11.291 -7.823
25 HA SER 6 HA SER 6 -3.449 -10.298 -5.142
26 HB2 SER 6 1HB SER 6 -1.414 -9.149 -6.021
27 HB3 SER 6 2HB SER 6 -1.478 -10.879 -6.396
28 HG SER 6 HG SER 6 -0.877 -9.617 -8.227
29 H GLY 7 H GLY 7 -4.862 -8.873 -8.019
30 HA2 GLY 7 1HA GLY 7 -4.770 -6.103 -7.312
31 HA3 GLY 7 2HA GLY 7 -5.916 -6.882 -8.411
32 H LYS 8 H LYS 8 -6.586 -8.644 -5.835
33 HA LYS 8 HA LYS 8 -8.803 -7.023 -4.819
34 HB2 LYS 8 1HB LYS 8 -7.707 -9.740 -3.972
35 HB3 LYS 8 2HB LYS 8 -9.193 -9.003 -3.357
36 HG2 LYS 8 1HG LYS 8 -10.160 -8.993 -5.616
37 HG3 LYS 8 2HG LYS 8 -8.694 -9.765 -6.258
38 HD2 LYS 8 1HD LYS 8 -9.040 -11.713 -4.772
39 HD3 LYS 8 2HD LYS 8 -10.492 -10.942 -4.085
40 HE2 LYS 8 1HE LYS 8 -11.499 -10.847 -6.339
41 HE3 LYS 8 2HE LYS 8 -10.070 -11.644 -7.013
42 HZ1 LYS 8 3HZ LYS 8 -11.912 -12.848 -5.007
43 HZ2 LYS 8 1HZ LYS 8 -10.590 -13.589 -5.619
44 HZ3 LYS 8 2HZ LYS 8 -11.858 -13.247 -6.587
45 H THR 9 H THR 9 -5.503 -7.160 -3.988
46 HA THR 9 HA THR 9 -6.001 -6.082 -1.238
47 HB THR 9 HB THR 9 -3.391 -7.295 -2.207
48 HG1 THR 9 1HG THR 9 -4.077 -9.195 -1.222
49 HG21 THR 9 3HG2 THR 9 -4.619 -6.857 0.554
50 HG22 THR 9 1HG2 THR 9 -3.222 -6.000 -0.138
51 HG23 THR 9 2HG2 THR 9 -3.105 -7.726 0.233
52 H HIS 10 H HIS 10 -5.001 -4.159 -0.609
53 HA HIS 10 HA HIS 10 -4.050 -2.390 -2.775
54 HB2 HIS 10 1HB HIS 10 -4.625 -1.952 0.176
55 HB3 HIS 10 2HB HIS 10 -3.962 -0.720 -0.880
56 HD1 HIS 10 1HD HIS 10 -5.601 0.296 -2.770
57 HD2 HIS 10 2HD HIS 10 -7.244 -2.623 -0.222
58 HE1 HIS 10 1HE HIS 10 -8.120 0.394 -3.111
59 H LEU 11 H LEU 11 -1.926 -1.545 -2.921
60 HA LEU 11 HA LEU 11 0.177 -2.963 -1.344
61 HB2 LEU 11 1HB LEU 11 -0.260 -4.371 -3.171
62 HB3 LEU 11 2HB LEU 11 -0.404 -3.018 -4.305
63 HG LEU 11 HG LEU 11 2.071 -2.631 -4.106
64 HD11 LEU 11 1HD1 LEU 11 1.968 -5.286 -2.612
65 HD12 LEU 11 2HD1 LEU 11 2.468 -3.733 -1.912
66 HD13 LEU 11 3HD1 LEU 11 3.440 -4.474 -3.188
67 HD21 LEU 11 3HD2 LEU 11 1.175 -5.415 -4.946
68 HD22 LEU 11 1HD2 LEU 11 2.670 -4.592 -5.464
69 HD23 LEU 11 2HD2 LEU 11 1.094 -3.940 -5.940
70 H CYS 12 H CYS 12 1.902 -1.874 -0.853
71 HA CYS 12 HA CYS 12 2.427 0.877 -1.684
72 HB2 CYS 12 1HB CYS 12 2.902 0.031 0.583
73 HB3 CYS 12 2HB CYS 12 4.011 -1.166 -0.089
74 H ASP 13 H ASP 13 3.431 1.392 -3.540
75 HA ASP 13 HA ASP 13 4.814 -0.611 -5.179
76 HB2 ASP 13 1HB ASP 13 3.260 1.118 -6.079
77 HB3 ASP 13 2HB ASP 13 4.414 2.369 -5.610
78 H MET 14 H MET 14 5.808 1.118 -2.538
79 HA MET 14 HA MET 14 8.540 1.791 -3.561
80 HB2 MET 14 1HB MET 14 6.862 2.822 -1.259
81 HB3 MET 14 2HB MET 14 8.534 3.317 -1.568
82 HG2 MET 14 1HG MET 14 7.929 4.088 -3.800
83 HG3 MET 14 2HG MET 14 6.251 3.620 -3.572
84 HE1 MET 14 3HE MET 14 4.725 6.230 -1.249
85 HE2 MET 14 1HE MET 14 4.419 5.066 -2.557
86 HE3 MET 14 2HE MET 14 5.127 4.511 -1.025
87 H CYS 15 H CYS 15 6.907 0.071 -0.937
88 HA CYS 15 HA CYS 15 9.444 -1.396 -0.465
89 HB2 CYS 15 1HB CYS 15 9.246 -1.419 1.885
90 HB3 CYS 15 2HB CYS 15 9.300 0.235 1.307
91 H GLY 16 H GLY 16 6.305 -1.732 -1.424
92 HA2 GLY 16 1HA GLY 16 5.419 -3.712 -2.265
93 HA3 GLY 16 2HA GLY 16 6.696 -4.618 -1.474
94 H LYS 17 H LYS 17 5.211 -2.795 0.896
95 HA LYS 17 HA LYS 17 3.939 -5.040 2.173
96 HB2 LYS 17 1HB LYS 17 3.889 -2.054 2.776
97 HB3 LYS 17 2HB LYS 17 3.195 -3.291 3.834
98 HG2 LYS 17 1HG LYS 17 5.406 -4.375 4.073
99 HG3 LYS 17 2HG LYS 17 6.112 -3.193 2.958
100 HD2 LYS 17 1HD LYS 17 5.456 -1.365 4.556
101 HD3 LYS 17 2HD LYS 17 4.897 -2.597 5.687
102 HE2 LYS 17 1HE LYS 17 7.137 -1.801 6.275
103 HE3 LYS 17 2HE LYS 17 7.169 -3.518 5.871
104 HZ1 LYS 17 3HZ LYS 17 8.147 -3.013 3.771
105 HZ2 LYS 17 1HZ LYS 17 8.988 -2.117 4.848
106 HZ3 LYS 17 2HZ LYS 17 7.851 -1.422 3.875
107 H LYS 18 H LYS 18 1.827 -5.465 2.615
108 HA LYS 18 HA LYS 18 -0.140 -4.447 0.610
109 HB2 LYS 18 1HB LYS 18 0.446 -7.197 1.708
110 HB3 LYS 18 2HB LYS 18 -1.107 -6.831 0.959
111 HG2 LYS 18 1HG LYS 18 -0.190 -6.347 -1.146
112 HG3 LYS 18 2HG LYS 18 1.419 -6.080 -0.506
113 HD2 LYS 18 1HD LYS 18 1.428 -8.606 0.130
114 HD3 LYS 18 2HD LYS 18 -0.028 -8.722 -0.870
115 HE2 LYS 18 1HE LYS 18 1.713 -9.280 -2.345
116 HE3 LYS 18 2HE LYS 18 1.332 -7.599 -2.734
117 HZ1 LYS 18 3HZ LYS 18 3.608 -8.533 -1.048
118 HZ2 LYS 18 1HZ LYS 18 3.293 -6.956 -1.322
119 HZ3 LYS 18 2HZ LYS 18 3.736 -7.935 -2.553
120 H PHE 19 H PHE 19 -2.181 -4.034 1.139
121 HA PHE 19 HA PHE 19 -2.916 -3.779 4.023
122 HB2 PHE 19 1HB PHE 19 -2.966 -1.642 1.858
123 HB3 PHE 19 2HB PHE 19 -3.588 -1.430 3.482
124 HD1 PHE 19 2HD PHE 19 -1.977 -1.634 5.471
125 HD2 PHE 19 1HD PHE 19 -0.616 -1.427 1.388
126 HE1 PHE 19 2HE PHE 19 0.297 -1.026 6.262
127 HE2 PHE 19 1HE PHE 19 1.656 -0.825 2.181
128 HZ PHE 19 HZ PHE 19 2.121 -0.638 4.617
129 H LYS 20 H LYS 20 -5.106 -3.505 4.511
130 HA LYS 20 HA LYS 20 -6.903 -5.042 2.809
131 HB2 LYS 20 1HB LYS 20 -6.667 -5.232 5.302
132 HB3 LYS 20 2HB LYS 20 -7.439 -3.648 5.468
133 HG2 LYS 20 1HG LYS 20 -9.500 -4.527 4.435
134 HG3 LYS 20 2HG LYS 20 -8.706 -6.089 4.134
135 HD2 LYS 20 1HD LYS 20 -8.390 -6.371 6.593
136 HD3 LYS 20 2HD LYS 20 -9.249 -4.855 6.881
137 HE2 LYS 20 1HE LYS 20 -10.413 -7.307 5.473
138 HE3 LYS 20 2HE LYS 20 -10.627 -6.943 7.186
139 HZ1 LYS 20 3HZ LYS 20 -11.753 -4.874 6.547
140 HZ2 LYS 20 1HZ LYS 20 -12.521 -6.166 5.914
141 HZ3 LYS 20 2HZ LYS 20 -11.592 -5.231 4.956
142 H SER 21 H SER 21 -6.442 -1.624 3.322
143 HA SER 21 HA SER 21 -8.720 -0.984 1.514
144 HB2 SER 21 1HB SER 21 -9.614 -0.798 3.778
145 HB3 SER 21 2HB SER 21 -8.261 0.240 4.262
146 HG SER 21 HG SER 21 -10.251 1.357 3.661
147 H LYS 22 H LYS 22 -8.581 0.982 0.450
148 HA LYS 22 HA LYS 22 -5.994 2.005 -0.242
149 HB2 LYS 22 1HB LYS 22 -8.353 2.109 -1.481
150 HB3 LYS 22 2HB LYS 22 -8.525 3.623 -0.590
151 HG2 LYS 22 1HG LYS 22 -6.429 4.464 -1.604
152 HG3 LYS 22 2HG LYS 22 -6.165 2.908 -2.394
153 HD2 LYS 22 1HD LYS 22 -7.017 4.501 -4.002
154 HD3 LYS 22 2HD LYS 22 -8.208 3.217 -3.748
155 HE2 LYS 22 1HE LYS 22 -9.502 4.700 -2.241
156 HE3 LYS 22 2HE LYS 22 -8.282 5.970 -2.423
157 HZ1 LYS 22 3HZ LYS 22 -9.953 4.885 -4.630
158 HZ2 LYS 22 1HZ LYS 22 -8.831 6.060 -4.797
159 HZ3 LYS 22 2HZ LYS 22 -10.170 6.331 -3.907
160 H GLY 23 H GLY 23 -8.364 3.008 2.187
161 HA2 GLY 23 1HA GLY 23 -7.186 5.525 2.927
162 HA3 GLY 23 2HA GLY 23 -8.235 4.517 3.932
163 H THR 24 H THR 24 -6.583 2.168 4.025
164 HA THR 24 HA THR 24 -4.636 2.843 6.052
165 HB THR 24 HB THR 24 -4.808 0.226 4.523
166 HG1 THR 24 1HG THR 24 -6.333 1.012 6.780
167 HG21 THR 24 3HG2 THR 24 -2.922 0.463 6.111
168 HG22 THR 24 1HG2 THR 24 -4.095 -0.750 6.659
169 HG23 THR 24 2HG2 THR 24 -4.062 0.865 7.411
170 H LEU 25 H LEU 25 -4.339 1.741 2.623
171 HA LEU 25 HA LEU 25 -1.502 1.818 2.498
172 HB2 LEU 25 1HB LEU 25 -2.808 0.644 0.858
173 HB3 LEU 25 2HB LEU 25 -3.714 2.096 0.443
174 HG LEU 25 HG LEU 25 -1.653 3.118 -0.521
175 HD11 LEU 25 1HD1 LEU 25 0.072 1.941 0.799
176 HD12 LEU 25 2HD1 LEU 25 0.329 1.678 -0.924
177 HD13 LEU 25 3HD1 LEU 25 -0.406 0.398 0.061
178 HD21 LEU 25 3HD2 LEU 25 -1.598 1.777 -2.522
179 HD22 LEU 25 1HD2 LEU 25 -3.254 1.810 -1.885
180 HD23 LEU 25 2HD2 LEU 25 -2.226 0.375 -1.649
181 H LYS 26 H LYS 26 -3.906 4.401 1.761
182 HA LYS 26 HA LYS 26 -2.213 6.449 0.869
183 HB2 LYS 26 1HB LYS 26 -4.641 6.671 0.881
184 HB3 LYS 26 2HB LYS 26 -4.700 6.460 2.622
185 HG2 LYS 26 1HG LYS 26 -3.413 8.672 2.853
186 HG3 LYS 26 2HG LYS 26 -3.606 8.864 1.112
187 HD2 LYS 26 1HD LYS 26 -5.304 10.136 2.311
188 HD3 LYS 26 2HD LYS 26 -6.061 8.845 1.385
189 HE2 LYS 26 1HE LYS 26 -7.131 9.070 3.551
190 HE3 LYS 26 2HE LYS 26 -6.356 7.494 3.430
191 HZ1 LYS 26 3HZ LYS 26 -4.599 8.256 4.890
192 HZ2 LYS 26 1HZ LYS 26 -6.002 8.655 5.584
193 HZ3 LYS 26 2HZ LYS 26 -5.133 9.812 4.837
194 H SER 27 H SER 27 -3.111 5.781 4.277
195 HA SER 27 HA SER 27 -1.366 7.763 5.376
196 HB2 SER 27 1HB SER 27 -2.657 5.341 6.669
197 HB3 SER 27 2HB SER 27 -1.905 6.705 7.530
198 HG SER 27 HG SER 27 -4.176 6.975 7.288
199 H HIS 28 H HIS 28 -0.671 4.519 4.297
200 HA HIS 28 HA HIS 28 1.943 4.400 5.655
201 HB2 HIS 28 1HB HIS 28 0.797 2.316 5.261
202 HB3 HIS 28 2HB HIS 28 0.627 2.660 3.541
203 HD1 HIS 28 1HD HIS 28 3.415 1.832 6.083
204 HD2 HIS 28 2HD HIS 28 2.682 2.174 1.957
205 HE1 HIS 28 1HE HIS 28 5.529 1.021 4.936
206 H LYS 29 H LYS 29 0.742 5.111 2.326
207 HA LYS 29 HA LYS 29 3.284 5.484 1.089
208 HB2 LYS 29 1HB LYS 29 0.506 6.565 0.495
209 HB3 LYS 29 2HB LYS 29 1.911 7.009 -0.480
210 HG2 LYS 29 1HG LYS 29 2.375 4.619 -0.944
211 HG3 LYS 29 2HG LYS 29 0.927 4.159 -0.035
212 HD2 LYS 29 1HD LYS 29 -0.510 5.357 -1.608
213 HD3 LYS 29 2HD LYS 29 0.905 6.043 -2.428
214 HE2 LYS 29 1HE LYS 29 1.638 3.754 -3.078
215 HE3 LYS 29 2HE LYS 29 0.175 3.092 -2.342
216 HZ1 LYS 29 3HZ LYS 29 -0.119 3.421 -4.729
217 HZ2 LYS 29 1HZ LYS 29 0.230 5.009 -4.616
218 HZ3 LYS 29 2HZ LYS 29 -1.133 4.423 -3.933
219 H LEU 30 H LEU 30 1.390 7.787 3.007
220 HA LEU 30 HA LEU 30 2.949 10.120 2.596
221 HB2 LEU 30 1HB LEU 30 1.495 9.084 5.060
222 HB3 LEU 30 2HB LEU 30 2.205 10.690 4.967
223 HG LEU 30 HG LEU 30 -0.001 9.689 3.119
224 HD11 LEU 30 1HD1 LEU 30 -0.704 9.954 5.484
225 HD12 LEU 30 2HD1 LEU 30 -1.458 11.156 4.422
226 HD13 LEU 30 3HD1 LEU 30 -0.096 11.621 5.469
227 HD21 LEU 30 3HD2 LEU 30 1.309 11.434 2.015
228 HD22 LEU 30 1HD2 LEU 30 1.235 12.451 3.474
229 HD23 LEU 30 2HD2 LEU 30 -0.237 12.098 2.542
230 H LEU 31 H LEU 31 3.777 7.268 4.519
231 HA LEU 31 HA LEU 31 5.903 8.514 6.034
232 HB2 LEU 31 1HB LEU 31 5.527 5.569 5.387
233 HB3 LEU 31 2HB LEU 31 6.481 6.248 6.694
234 HG LEU 31 HG LEU 31 3.442 6.414 6.471
235 HD11 LEU 31 1HD1 LEU 31 4.286 4.145 6.934
236 HD12 LEU 31 2HD1 LEU 31 3.439 4.829 8.333
237 HD13 LEU 31 3HD1 LEU 31 5.218 4.769 8.315
238 HD21 LEU 31 3HD2 LEU 31 5.311 7.279 8.720
239 HD22 LEU 31 1HD2 LEU 31 3.537 7.217 8.812
240 HD23 LEU 31 2HD2 LEU 31 4.318 8.351 7.705
241 H HIS 32 H HIS 32 5.786 7.436 2.752
242 HA HIS 32 HA HIS 32 8.730 7.181 2.504
243 HB2 HIS 32 1HB HIS 32 6.441 6.786 0.548
244 HB3 HIS 32 2HB HIS 32 8.139 6.639 0.123
245 HD1 HIS 32 1HD HIS 32 9.528 4.609 1.397
246 HD2 HIS 32 2HD HIS 32 5.332 4.572 1.472
247 HE1 HIS 32 1HE HIS 32 8.874 2.218 1.913
248 H THR 33 H THR 33 6.730 9.814 2.681
249 HA THR 33 HA THR 33 8.401 11.490 0.884
250 HB THR 33 HB THR 33 6.500 10.634 -0.435
251 HG1 THR 33 1HG THR 33 5.991 12.600 -1.285
252 HG21 THR 33 3HG2 THR 33 4.741 10.483 1.247
253 HG22 THR 33 1HG2 THR 33 4.239 11.528 -0.084
254 HG23 THR 33 2HG2 THR 33 4.741 12.248 1.461
255 H ALA 34 H ALA 34 7.046 13.835 1.072
256 HA ALA 34 HA ALA 34 7.063 15.736 2.298
257 HB1 ALA 34 1HB ALA 34 5.408 14.023 4.182
258 HB2 ALA 34 2HB ALA 34 5.352 15.792 4.028
259 HB3 ALA 34 3HB ALA 34 4.831 14.772 2.676
260 H ASP 35 H ASP 35 9.447 14.247 2.772
261 HA ASP 35 HA ASP 35 11.265 14.056 4.080
262 HB2 ASP 35 1HB ASP 35 10.326 16.680 5.276
263 HB3 ASP 35 2HB ASP 35 11.953 16.016 5.378
264 H GLY 36 H GLY 36 8.902 12.677 5.077
265 HA2 GLY 36 1HA GLY 36 8.756 12.612 7.927
266 HA3 GLY 36 2HA GLY 36 8.295 11.313 6.828
Start of MODEL 15
1 H1 GLY 1 1H GLY 1 7.158 4.144 -9.147
2 H2 GLY 1 2H GLY 1 7.126 4.793 -7.642
3 H3 GLY 1 3H GLY 1 6.194 3.495 -7.979
4 HA2 GLY 1 1HA GLY 1 9.134 3.572 -7.819
5 HA3 GLY 1 2HA GLY 1 8.037 2.725 -6.716
6 H SER 2 H SER 2 8.003 0.568 -7.070
7 HA SER 2 HA SER 2 8.044 -0.566 -9.805
8 HB2 SER 2 1HB SER 2 9.961 -2.031 -9.279
9 HB3 SER 2 2HB SER 2 10.406 -0.320 -9.321
10 HG SER 2 HG SER 2 11.310 -1.406 -7.510
11 H SER 3 H SER 3 7.734 -2.891 -9.846
12 HA SER 3 HA SER 3 6.449 -4.698 -9.450
13 HB2 SER 3 1HB SER 3 7.466 -4.399 -6.612
14 HB3 SER 3 2HB SER 3 6.839 -5.881 -7.350
15 HG SER 3 HG SER 3 8.564 -5.869 -8.807
16 H GLY 4 H GLY 4 4.991 -2.120 -9.055
17 HA2 GLY 4 1HA GLY 4 2.933 -2.534 -7.054
18 HA3 GLY 4 2HA GLY 4 2.952 -1.315 -8.327
19 H SER 5 H SER 5 2.629 -4.864 -8.002
20 HA SER 5 HA SER 5 1.177 -5.285 -10.433
21 HB2 SER 5 1HB SER 5 1.371 -7.019 -7.940
22 HB3 SER 5 2HB SER 5 0.685 -7.532 -9.491
23 HG SER 5 HG SER 5 3.377 -6.775 -8.938
24 H SER 6 H SER 6 -0.973 -5.752 -10.867
25 HA SER 6 HA SER 6 -2.951 -4.319 -9.283
26 HB2 SER 6 1HB SER 6 -2.909 -4.398 -11.782
27 HB3 SER 6 2HB SER 6 -3.393 -6.105 -11.697
28 HG SER 6 HG SER 6 -5.183 -4.648 -11.935
29 H GLY 7 H GLY 7 -4.835 -5.149 -8.329
30 HA2 GLY 7 1HA GLY 7 -5.728 -7.768 -8.063
31 HA3 GLY 7 2HA GLY 7 -4.535 -7.572 -6.776
32 H LYS 8 H LYS 8 -6.899 -8.151 -5.860
33 HA LYS 8 HA LYS 8 -8.603 -5.828 -5.297
34 HB2 LYS 8 1HB LYS 8 -8.582 -8.659 -4.162
35 HB3 LYS 8 2HB LYS 8 -9.790 -7.422 -3.784
36 HG2 LYS 8 1HG LYS 8 -10.410 -7.278 -6.169
37 HG3 LYS 8 2HG LYS 8 -9.246 -8.567 -6.545
38 HD2 LYS 8 1HD LYS 8 -10.452 -10.113 -5.022
39 HD3 LYS 8 2HD LYS 8 -11.619 -8.822 -4.635
40 HE2 LYS 8 1HE LYS 8 -12.208 -8.643 -7.025
41 HE3 LYS 8 2HE LYS 8 -11.052 -9.929 -7.411
42 HZ1 LYS 8 3HZ LYS 8 -13.321 -10.803 -7.220
43 HZ2 LYS 8 1HZ LYS 8 -13.459 -10.259 -5.688
44 HZ3 LYS 8 2HZ LYS 8 -12.393 -11.448 -6.043
45 H THR 9 H THR 9 -5.947 -7.417 -3.627
46 HA THR 9 HA THR 9 -6.174 -5.871 -1.160
47 HB THR 9 HB THR 9 -3.673 -7.227 -2.221
48 HG1 THR 9 1HG THR 9 -5.799 -8.410 -0.755
49 HG21 THR 9 3HG2 THR 9 -3.317 -5.957 -0.168
50 HG22 THR 9 1HG2 THR 9 -3.289 -7.687 0.200
51 HG23 THR 9 2HG2 THR 9 -4.726 -6.720 0.599
52 H HIS 10 H HIS 10 -5.019 -3.996 -0.586
53 HA HIS 10 HA HIS 10 -4.017 -2.341 -2.821
54 HB2 HIS 10 1HB HIS 10 -4.499 -1.776 0.127
55 HB3 HIS 10 2HB HIS 10 -3.819 -0.618 -1.002
56 HD1 HIS 10 1HD HIS 10 -5.481 0.476 -2.793
57 HD2 HIS 10 2HD HIS 10 -7.151 -2.432 -0.252
58 HE1 HIS 10 1HE HIS 10 -8.003 0.631 -3.095
59 H LEU 11 H LEU 11 -1.866 -1.645 -3.051
60 HA LEU 11 HA LEU 11 0.190 -3.067 -1.420
61 HB2 LEU 11 1HB LEU 11 -0.284 -4.503 -3.236
62 HB3 LEU 11 2HB LEU 11 -0.326 -3.167 -4.395
63 HG LEU 11 HG LEU 11 2.145 -2.872 -4.116
64 HD11 LEU 11 1HD1 LEU 11 2.412 -3.930 -1.863
65 HD12 LEU 11 2HD1 LEU 11 3.455 -4.664 -3.082
66 HD13 LEU 11 3HD1 LEU 11 1.971 -5.495 -2.572
67 HD21 LEU 11 3HD2 LEU 11 1.189 -4.213 -5.939
68 HD22 LEU 11 1HD2 LEU 11 1.223 -5.660 -4.910
69 HD23 LEU 11 2HD2 LEU 11 2.743 -4.871 -5.396
70 H CYS 12 H CYS 12 1.940 -2.023 -0.956
71 HA CYS 12 HA CYS 12 2.523 0.694 -1.850
72 HB2 CYS 12 1HB CYS 12 2.895 -0.107 0.462
73 HB3 CYS 12 2HB CYS 12 4.028 -1.311 -0.143
74 H ASP 13 H ASP 13 3.412 1.030 -3.805
75 HA ASP 13 HA ASP 13 5.148 -0.926 -5.138
76 HB2 ASP 13 1HB ASP 13 5.020 0.557 -7.026
77 HB3 ASP 13 2HB ASP 13 3.405 0.294 -6.383
78 H MET 14 H MET 14 5.851 0.786 -2.577
79 HA MET 14 HA MET 14 8.478 1.870 -3.557
80 HB2 MET 14 1HB MET 14 6.858 2.699 -1.133
81 HB3 MET 14 2HB MET 14 8.366 3.401 -1.684
82 HG2 MET 14 1HG MET 14 7.249 4.113 -3.783
83 HG3 MET 14 2HG MET 14 5.725 3.440 -3.185
84 HE1 MET 14 3HE MET 14 5.791 6.363 -4.189
85 HE2 MET 14 1HE MET 14 4.381 5.556 -3.462
86 HE3 MET 14 2HE MET 14 4.869 7.171 -2.894
87 H CYS 15 H CYS 15 6.937 0.013 -0.937
88 HA CYS 15 HA CYS 15 9.557 -1.280 -0.443
89 HB2 CYS 15 1HB CYS 15 9.353 -1.285 1.900
90 HB3 CYS 15 2HB CYS 15 9.309 0.361 1.292
91 H GLY 16 H GLY 16 6.426 -1.812 -1.396
92 HA2 GLY 16 1HA GLY 16 5.689 -3.861 -2.232
93 HA3 GLY 16 2HA GLY 16 6.959 -4.689 -1.353
94 H LYS 17 H LYS 17 5.153 -2.778 0.785
95 HA LYS 17 HA LYS 17 3.954 -5.110 2.081
96 HB2 LYS 17 1HB LYS 17 3.917 -2.132 2.729
97 HB3 LYS 17 2HB LYS 17 3.228 -3.382 3.769
98 HG2 LYS 17 1HG LYS 17 5.448 -4.458 3.999
99 HG3 LYS 17 2HG LYS 17 6.144 -3.263 2.889
100 HD2 LYS 17 1HD LYS 17 5.485 -1.447 4.500
101 HD3 LYS 17 2HD LYS 17 4.946 -2.694 5.628
102 HE2 LYS 17 1HE LYS 17 7.186 -1.892 6.204
103 HE3 LYS 17 2HE LYS 17 7.226 -3.604 5.777
104 HZ1 LYS 17 3HZ LYS 17 7.881 -1.466 3.812
105 HZ2 LYS 17 1HZ LYS 17 8.171 -3.056 3.665
106 HZ3 LYS 17 2HZ LYS 17 9.027 -2.186 4.755
107 H LYS 18 H LYS 18 1.888 -5.620 2.434
108 HA LYS 18 HA LYS 18 -0.134 -4.456 0.579
109 HB2 LYS 18 1HB LYS 18 0.358 -7.222 1.674
110 HB3 LYS 18 2HB LYS 18 -1.250 -6.760 1.127
111 HG2 LYS 18 1HG LYS 18 -0.476 -6.226 -1.095
112 HG3 LYS 18 2HG LYS 18 1.219 -6.402 -0.612
113 HD2 LYS 18 1HD LYS 18 0.858 -8.798 -0.139
114 HD3 LYS 18 2HD LYS 18 -0.849 -8.644 -0.616
115 HE2 LYS 18 1HE LYS 18 -0.141 -7.933 -2.894
116 HE3 LYS 18 2HE LYS 18 1.555 -8.083 -2.416
117 HZ1 LYS 18 3HZ LYS 18 1.173 -10.464 -2.046
118 HZ2 LYS 18 1HZ LYS 18 0.786 -10.072 -3.582
119 HZ3 LYS 18 2HZ LYS 18 -0.396 -10.328 -2.487
120 H PHE 19 H PHE 19 -2.124 -3.939 1.150
121 HA PHE 19 HA PHE 19 -2.820 -3.643 4.036
122 HB2 PHE 19 1HB PHE 19 -2.805 -1.498 1.879
123 HB3 PHE 19 2HB PHE 19 -3.409 -1.274 3.509
124 HD1 PHE 19 2HD PHE 19 -1.784 -1.642 5.491
125 HD2 PHE 19 1HD PHE 19 -0.466 -1.286 1.403
126 HE1 PHE 19 2HE PHE 19 0.519 -1.159 6.277
127 HE2 PHE 19 1HE PHE 19 1.835 -0.829 2.192
128 HZ PHE 19 HZ PHE 19 2.338 -0.767 4.627
129 H LYS 20 H LYS 20 -5.000 -3.231 4.524
130 HA LYS 20 HA LYS 20 -6.830 -4.763 2.857
131 HB2 LYS 20 1HB LYS 20 -8.297 -4.713 4.751
132 HB3 LYS 20 2HB LYS 20 -6.657 -5.067 5.290
133 HG2 LYS 20 1HG LYS 20 -6.404 -2.640 5.960
134 HG3 LYS 20 2HG LYS 20 -8.095 -2.376 5.533
135 HD2 LYS 20 1HD LYS 20 -7.079 -4.317 7.655
136 HD3 LYS 20 2HD LYS 20 -7.737 -2.705 7.961
137 HE2 LYS 20 1HE LYS 20 -9.908 -3.396 6.953
138 HE3 LYS 20 2HE LYS 20 -9.261 -5.021 6.685
139 HZ1 LYS 20 3HZ LYS 20 -9.585 -3.738 9.347
140 HZ2 LYS 20 1HZ LYS 20 -8.984 -5.238 9.096
141 HZ3 LYS 20 2HZ LYS 20 -10.542 -4.912 8.741
142 H SER 21 H SER 21 -6.292 -1.381 3.107
143 HA SER 21 HA SER 21 -8.630 -0.787 1.398
144 HB2 SER 21 1HB SER 21 -9.525 -0.587 3.678
145 HB3 SER 21 2HB SER 21 -8.208 0.510 4.121
146 HG SER 21 HG SER 21 -10.228 1.547 3.506
147 H LYS 22 H LYS 22 -8.530 1.288 0.412
148 HA LYS 22 HA LYS 22 -5.924 2.218 -0.359
149 HB2 LYS 22 1HB LYS 22 -8.278 2.430 -1.542
150 HB3 LYS 22 2HB LYS 22 -8.419 3.919 -0.595
151 HG2 LYS 22 1HG LYS 22 -6.189 4.638 -1.571
152 HG3 LYS 22 2HG LYS 22 -6.230 3.213 -2.607
153 HD2 LYS 22 1HD LYS 22 -8.296 5.461 -2.580
154 HD3 LYS 22 2HD LYS 22 -6.986 5.276 -3.754
155 HE2 LYS 22 1HE LYS 22 -7.938 3.089 -4.474
156 HE3 LYS 22 2HE LYS 22 -9.271 3.296 -3.328
157 HZ1 LYS 22 3HZ LYS 22 -9.923 5.302 -4.550
158 HZ2 LYS 22 1HZ LYS 22 -9.905 4.018 -5.555
159 HZ3 LYS 22 2HZ LYS 22 -8.695 5.109 -5.611
160 H GLY 23 H GLY 23 -8.187 3.312 2.149
161 HA2 GLY 23 1HA GLY 23 -6.797 5.722 2.919
162 HA3 GLY 23 2HA GLY 23 -7.915 4.784 3.917
163 H THR 24 H THR 24 -6.501 2.306 3.988
164 HA THR 24 HA THR 24 -4.494 2.751 5.998
165 HB THR 24 HB THR 24 -4.842 0.218 4.367
166 HG1 THR 24 1HG THR 24 -6.326 1.029 6.639
167 HG21 THR 24 3HG2 THR 24 -4.102 0.670 7.289
168 HG22 THR 24 1HG2 THR 24 -2.957 0.289 5.990
169 HG23 THR 24 2HG2 THR 24 -4.198 -0.895 6.445
170 H LEU 25 H LEU 25 -4.255 1.775 2.521
171 HA LEU 25 HA LEU 25 -1.401 1.759 2.406
172 HB2 LEU 25 1HB LEU 25 -2.723 0.671 0.722
173 HB3 LEU 25 2HB LEU 25 -3.605 2.153 0.365
174 HG LEU 25 HG LEU 25 -1.504 3.173 -0.530
175 HD11 LEU 25 1HD1 LEU 25 0.419 1.716 -1.058
176 HD12 LEU 25 2HD1 LEU 25 -0.354 0.368 -0.200
177 HD13 LEU 25 3HD1 LEU 25 0.180 1.809 0.687
178 HD21 LEU 25 3HD2 LEU 25 -3.183 2.013 -1.952
179 HD22 LEU 25 1HD2 LEU 25 -2.155 0.558 -1.889
180 HD23 LEU 25 2HD2 LEU 25 -1.539 2.051 -2.622
181 H LYS 26 H LYS 26 -3.741 4.452 1.816
182 HA LYS 26 HA LYS 26 -1.813 6.424 1.088
183 HB2 LYS 26 1HB LYS 26 -4.217 6.665 0.724
184 HB3 LYS 26 2HB LYS 26 -4.517 6.722 2.467
185 HG2 LYS 26 1HG LYS 26 -3.174 8.777 2.670
186 HG3 LYS 26 2HG LYS 26 -2.785 8.725 0.947
187 HD2 LYS 26 1HD LYS 26 -5.587 9.035 2.121
188 HD3 LYS 26 2HD LYS 26 -4.568 10.363 1.544
189 HE2 LYS 26 1HE LYS 26 -4.531 9.330 -0.731
190 HE3 LYS 26 2HE LYS 26 -5.618 8.057 -0.160
191 HZ1 LYS 26 3HZ LYS 26 -6.849 9.843 -1.249
192 HZ2 LYS 26 1HZ LYS 26 -6.270 10.957 -0.209
193 HZ3 LYS 26 2HZ LYS 26 -7.275 9.784 0.325
194 H SER 27 H SER 27 -3.142 5.634 4.309
195 HA SER 27 HA SER 27 -1.586 7.448 5.851
196 HB2 SER 27 1HB SER 27 -2.599 4.684 6.632
197 HB3 SER 27 2HB SER 27 -2.027 5.938 7.743
198 HG SER 27 HG SER 27 -4.324 5.973 6.069
199 H HIS 28 H HIS 28 -0.649 4.415 4.363
200 HA HIS 28 HA HIS 28 1.945 4.288 5.768
201 HB2 HIS 28 1HB HIS 28 0.866 2.201 5.293
202 HB3 HIS 28 2HB HIS 28 0.659 2.607 3.592
203 HD1 HIS 28 1HD HIS 28 3.514 1.754 6.049
204 HD2 HIS 28 2HD HIS 28 2.668 2.181 1.951
205 HE1 HIS 28 1HE HIS 28 5.598 0.976 4.829
206 H LYS 29 H LYS 29 0.803 5.079 2.436
207 HA LYS 29 HA LYS 29 3.351 5.596 1.279
208 HB2 LYS 29 1HB LYS 29 0.519 6.472 0.665
209 HB3 LYS 29 2HB LYS 29 1.871 7.203 -0.207
210 HG2 LYS 29 1HG LYS 29 2.672 5.062 -0.969
211 HG3 LYS 29 2HG LYS 29 1.422 4.196 -0.059
212 HD2 LYS 29 1HD LYS 29 -0.246 4.723 -1.573
213 HD3 LYS 29 2HD LYS 29 0.407 6.317 -1.901
214 HE2 LYS 29 1HE LYS 29 0.563 5.035 -3.911
215 HE3 LYS 29 2HE LYS 29 2.174 5.385 -3.301
216 HZ1 LYS 29 3HZ LYS 29 0.783 2.777 -3.154
217 HZ2 LYS 29 1HZ LYS 29 2.194 3.103 -2.357
218 HZ3 LYS 29 2HZ LYS 29 2.146 3.146 -3.989
219 H LEU 30 H LEU 30 1.321 7.776 3.204
220 HA LEU 30 HA LEU 30 2.831 10.156 2.944
221 HB2 LEU 30 1HB LEU 30 1.277 8.949 5.262
222 HB3 LEU 30 2HB LEU 30 1.985 10.558 5.349
223 HG LEU 30 HG LEU 30 -0.034 9.751 3.210
224 HD11 LEU 30 1HD1 LEU 30 -1.012 9.641 5.475
225 HD12 LEU 30 2HD1 LEU 30 -1.668 11.000 4.549
226 HD13 LEU 30 3HD1 LEU 30 -0.442 11.288 5.807
227 HD21 LEU 30 3HD2 LEU 30 1.344 11.670 2.546
228 HD22 LEU 30 1HD2 LEU 30 1.033 12.459 4.106
229 HD23 LEU 30 2HD2 LEU 30 -0.292 12.202 2.946
230 H LEU 31 H LEU 31 3.691 7.256 4.757
231 HA LEU 31 HA LEU 31 5.829 8.491 6.292
232 HB2 LEU 31 1HB LEU 31 5.506 5.559 5.567
233 HB3 LEU 31 2HB LEU 31 6.463 6.230 6.873
234 HG LEU 31 HG LEU 31 3.415 6.313 6.712
235 HD11 LEU 31 1HD1 LEU 31 3.495 4.676 8.525
236 HD12 LEU 31 2HD1 LEU 31 5.273 4.663 8.468
237 HD13 LEU 31 3HD1 LEU 31 4.328 4.058 7.089
238 HD21 LEU 31 3HD2 LEU 31 3.533 7.052 9.073
239 HD22 LEU 31 1HD2 LEU 31 4.265 8.237 7.987
240 HD23 LEU 31 2HD2 LEU 31 5.304 7.160 8.952
241 H HIS 32 H HIS 32 5.619 7.234 3.020
242 HA HIS 32 HA HIS 32 8.557 7.327 2.608
243 HB2 HIS 32 1HB HIS 32 6.272 6.802 0.675
244 HB3 HIS 32 2HB HIS 32 7.980 6.749 0.278
245 HD1 HIS 32 1HD HIS 32 9.389 4.760 1.835
246 HD2 HIS 32 2HD HIS 32 5.283 4.467 1.025
247 HE1 HIS 32 1HE HIS 32 8.825 2.291 2.025
248 H THR 33 H THR 33 5.600 9.102 1.500
249 HA THR 33 HA THR 33 7.144 10.902 -0.135
250 HB THR 33 HB THR 33 5.026 12.054 -0.566
251 HG1 THR 33 1HG THR 33 3.159 11.284 0.381
252 HG21 THR 33 3HG2 THR 33 5.599 9.999 -1.840
253 HG22 THR 33 1HG2 THR 33 3.852 10.214 -1.645
254 HG23 THR 33 2HG2 THR 33 4.714 9.021 -0.651
255 H ALA 34 H ALA 34 6.634 11.050 3.224
256 HA ALA 34 HA ALA 34 6.798 13.904 3.582
257 HB1 ALA 34 1HB ALA 34 6.052 12.388 5.351
258 HB2 ALA 34 2HB ALA 34 7.640 11.580 5.369
259 HB3 ALA 34 3HB ALA 34 7.491 13.274 5.881
260 H ASP 35 H ASP 35 9.206 11.584 2.543
261 HA ASP 35 HA ASP 35 11.512 13.237 3.308
262 HB2 ASP 35 1HB ASP 35 11.655 10.781 3.296
263 HB3 ASP 35 2HB ASP 35 11.303 10.760 1.565
264 H GLY 36 H GLY 36 12.717 14.550 2.006
265 HA2 GLY 36 1HA GLY 36 12.614 14.798 -0.834
266 HA3 GLY 36 2HA GLY 36 11.506 15.976 -0.132
Start of MODEL 16
1 H1 GLY 1 1H GLY 1 -16.279 -4.652 -23.071
2 H2 GLY 1 2H GLY 1 -17.402 -5.843 -23.168
3 H3 GLY 1 3H GLY 1 -15.872 -6.114 -23.686
4 HA2 GLY 1 1HA GLY 1 -16.657 -5.599 -20.893
5 HA3 GLY 1 2HA GLY 1 -16.234 -7.186 -21.559
6 H SER 2 H SER 2 -14.984 -5.595 -19.384
7 HA SER 2 HA SER 2 -12.162 -5.504 -20.373
8 HB2 SER 2 1HB SER 2 -13.496 -3.427 -18.594
9 HB3 SER 2 2HB SER 2 -11.776 -3.486 -19.021
10 HG SER 2 HG SER 2 -12.966 -2.038 -20.357
11 H SER 3 H SER 3 -10.566 -5.964 -18.845
12 HA SER 3 HA SER 3 -11.315 -7.948 -16.920
13 HB2 SER 3 1HB SER 3 -8.599 -6.671 -17.394
14 HB3 SER 3 2HB SER 3 -8.920 -8.219 -16.586
15 HG SER 3 HG SER 3 -8.332 -8.497 -18.791
16 H GLY 4 H GLY 4 -10.933 -4.548 -16.470
17 HA2 GLY 4 1HA GLY 4 -11.081 -3.230 -14.558
18 HA3 GLY 4 2HA GLY 4 -11.317 -4.681 -13.588
19 H SER 5 H SER 5 -9.945 -3.488 -12.043
20 HA SER 5 HA SER 5 -7.111 -3.095 -12.599
21 HB2 SER 5 1HB SER 5 -7.006 -2.506 -10.182
22 HB3 SER 5 2HB SER 5 -8.166 -1.557 -11.122
23 HG SER 5 HG SER 5 -9.047 -2.270 -9.121
24 H SER 6 H SER 6 -5.359 -4.129 -11.584
25 HA SER 6 HA SER 6 -5.653 -7.023 -11.405
26 HB2 SER 6 1HB SER 6 -3.189 -5.271 -11.121
27 HB3 SER 6 2HB SER 6 -3.207 -7.036 -11.287
28 HG SER 6 HG SER 6 -2.852 -5.966 -13.298
29 H GLY 7 H GLY 7 -5.286 -8.369 -9.704
30 HA2 GLY 7 1HA GLY 7 -4.891 -9.140 -7.572
31 HA3 GLY 7 2HA GLY 7 -4.122 -7.608 -7.185
32 H LYS 8 H LYS 8 -5.265 -8.535 -5.153
33 HA LYS 8 HA LYS 8 -7.935 -7.189 -4.799
34 HB2 LYS 8 1HB LYS 8 -6.889 -9.743 -3.503
35 HB3 LYS 8 2HB LYS 8 -8.393 -8.921 -3.064
36 HG2 LYS 8 1HG LYS 8 -9.210 -9.253 -5.408
37 HG3 LYS 8 2HG LYS 8 -7.727 -10.178 -5.746
38 HD2 LYS 8 1HD LYS 8 -8.337 -11.636 -3.720
39 HD3 LYS 8 2HD LYS 8 -9.931 -10.866 -3.745
40 HE2 LYS 8 1HE LYS 8 -8.605 -12.302 -6.074
41 HE3 LYS 8 2HE LYS 8 -9.734 -13.077 -4.954
42 HZ1 LYS 8 3HZ LYS 8 -11.447 -11.496 -5.678
43 HZ2 LYS 8 1HZ LYS 8 -10.889 -12.343 -6.954
44 HZ3 LYS 8 2HZ LYS 8 -10.415 -10.798 -6.740
45 H THR 9 H THR 9 -4.682 -7.184 -3.740
46 HA THR 9 HA THR 9 -5.233 -5.956 -1.106
47 HB THR 9 HB THR 9 -2.667 -5.835 -1.086
48 HG1 THR 9 1HG THR 9 -1.703 -7.342 -2.543
49 HG21 THR 9 3HG2 THR 9 -3.939 -8.590 -1.310
50 HG22 THR 9 1HG2 THR 9 -3.899 -7.565 0.148
51 HG23 THR 9 2HG2 THR 9 -2.385 -8.190 -0.534
52 H HIS 10 H HIS 10 -4.455 -3.933 -0.486
53 HA HIS 10 HA HIS 10 -4.007 -1.918 -2.641
54 HB2 HIS 10 1HB HIS 10 -4.501 -1.606 0.347
55 HB3 HIS 10 2HB HIS 10 -4.271 -0.299 -0.802
56 HD1 HIS 10 1HD HIS 10 -6.328 0.344 -2.343
57 HD2 HIS 10 2HD HIS 10 -6.868 -3.033 0.102
58 HE1 HIS 10 1HE HIS 10 -8.818 -0.183 -2.395
59 H LEU 11 H LEU 11 -1.954 -2.214 -3.328
60 HA LEU 11 HA LEU 11 0.171 -3.005 -1.426
61 HB2 LEU 11 1HB LEU 11 -0.188 -4.532 -3.147
62 HB3 LEU 11 2HB LEU 11 -0.342 -3.267 -4.377
63 HG LEU 11 HG LEU 11 2.128 -2.806 -4.157
64 HD11 LEU 11 1HD1 LEU 11 3.519 -4.575 -3.160
65 HD12 LEU 11 2HD1 LEU 11 2.068 -5.412 -2.579
66 HD13 LEU 11 3HD1 LEU 11 2.513 -3.825 -1.913
67 HD21 LEU 11 3HD2 LEU 11 2.771 -4.807 -5.431
68 HD22 LEU 11 1HD2 LEU 11 1.197 -4.186 -5.952
69 HD23 LEU 11 2HD2 LEU 11 1.277 -5.627 -4.906
70 H CYS 12 H CYS 12 1.881 -1.898 -0.916
71 HA CYS 12 HA CYS 12 2.462 0.801 -1.835
72 HB2 CYS 12 1HB CYS 12 2.859 -0.026 0.477
73 HB3 CYS 12 2HB CYS 12 4.007 -1.211 -0.153
74 H ASP 13 H ASP 13 3.517 1.238 -3.694
75 HA ASP 13 HA ASP 13 4.950 -0.834 -5.203
76 HB2 ASP 13 1HB ASP 13 3.439 0.851 -6.229
77 HB3 ASP 13 2HB ASP 13 4.568 2.128 -5.763
78 H MET 14 H MET 14 5.861 1.057 -2.617
79 HA MET 14 HA MET 14 8.602 1.707 -3.593
80 HB2 MET 14 1HB MET 14 6.918 2.683 -1.269
81 HB3 MET 14 2HB MET 14 8.589 3.181 -1.561
82 HG2 MET 14 1HG MET 14 7.991 3.998 -3.782
83 HG3 MET 14 2HG MET 14 6.311 3.530 -3.560
84 HE1 MET 14 3HE MET 14 5.151 4.389 -1.040
85 HE2 MET 14 1HE MET 14 4.772 6.117 -1.242
86 HE3 MET 14 2HE MET 14 4.489 4.980 -2.578
87 H CYS 15 H CYS 15 6.991 -0.095 -1.023
88 HA CYS 15 HA CYS 15 9.563 -1.508 -0.506
89 HB2 CYS 15 1HB CYS 15 9.217 -1.591 1.855
90 HB3 CYS 15 2HB CYS 15 9.282 0.079 1.306
91 H GLY 16 H GLY 16 6.314 -1.857 -1.367
92 HA2 GLY 16 1HA GLY 16 5.439 -3.844 -2.242
93 HA3 GLY 16 2HA GLY 16 6.702 -4.771 -1.458
94 H LYS 17 H LYS 17 5.296 -2.868 0.923
95 HA LYS 17 HA LYS 17 3.901 -5.054 2.187
96 HB2 LYS 17 1HB LYS 17 4.049 -2.076 2.810
97 HB3 LYS 17 2HB LYS 17 3.195 -3.249 3.821
98 HG2 LYS 17 1HG LYS 17 5.294 -4.557 4.097
99 HG3 LYS 17 2HG LYS 17 6.167 -3.364 3.122
100 HD2 LYS 17 1HD LYS 17 5.605 -1.605 4.795
101 HD3 LYS 17 2HD LYS 17 4.771 -2.827 5.783
102 HE2 LYS 17 1HE LYS 17 6.898 -4.130 5.916
103 HE3 LYS 17 2HE LYS 17 7.713 -2.886 4.963
104 HZ1 LYS 17 3HZ LYS 17 8.083 -2.580 7.346
105 HZ2 LYS 17 1HZ LYS 17 6.483 -2.446 7.635
106 HZ3 LYS 17 2HZ LYS 17 7.260 -1.303 6.756
107 H LYS 18 H LYS 18 1.769 -5.380 2.595
108 HA LYS 18 HA LYS 18 -0.144 -4.288 0.561
109 HB2 LYS 18 1HB LYS 18 0.295 -7.061 1.711
110 HB3 LYS 18 2HB LYS 18 -1.158 -6.630 0.813
111 HG2 LYS 18 1HG LYS 18 -0.008 -6.259 -1.206
112 HG3 LYS 18 2HG LYS 18 1.542 -6.076 -0.411
113 HD2 LYS 18 1HD LYS 18 1.384 -8.556 0.265
114 HD3 LYS 18 2HD LYS 18 -0.017 -8.649 -0.807
115 HE2 LYS 18 1HE LYS 18 1.773 -9.362 -2.147
116 HE3 LYS 18 2HE LYS 18 1.487 -7.694 -2.649
117 HZ1 LYS 18 3HZ LYS 18 3.858 -8.120 -2.322
118 HZ2 LYS 18 1HZ LYS 18 3.626 -8.616 -0.789
119 HZ3 LYS 18 2HZ LYS 18 3.396 -7.048 -1.178
120 H PHE 19 H PHE 19 -2.069 -3.625 1.156
121 HA PHE 19 HA PHE 19 -2.892 -3.678 4.024
122 HB2 PHE 19 1HB PHE 19 -2.850 -1.360 2.054
123 HB3 PHE 19 2HB PHE 19 -3.490 -1.274 3.676
124 HD1 PHE 19 2HD PHE 19 -1.932 -1.676 5.663
125 HD2 PHE 19 1HD PHE 19 -0.471 -1.185 1.640
126 HE1 PHE 19 2HE PHE 19 0.352 -1.237 6.542
127 HE2 PHE 19 1HE PHE 19 1.807 -0.761 2.514
128 HZ PHE 19 HZ PHE 19 2.227 -0.796 4.968
129 H LYS 20 H LYS 20 -5.112 -3.229 4.456
130 HA LYS 20 HA LYS 20 -6.853 -4.688 2.590
131 HB2 LYS 20 1HB LYS 20 -8.305 -5.012 4.476
132 HB3 LYS 20 2HB LYS 20 -6.644 -5.381 4.929
133 HG2 LYS 20 1HG LYS 20 -6.459 -3.164 6.063
134 HG3 LYS 20 2HG LYS 20 -8.133 -2.795 5.599
135 HD2 LYS 20 1HD LYS 20 -8.925 -4.756 6.898
136 HD3 LYS 20 2HD LYS 20 -7.250 -5.124 7.364
137 HE2 LYS 20 1HE LYS 20 -7.070 -2.903 8.465
138 HE3 LYS 20 2HE LYS 20 -8.736 -2.533 7.998
139 HZ1 LYS 20 3HZ LYS 20 -9.467 -4.415 9.365
140 HZ2 LYS 20 1HZ LYS 20 -8.621 -3.362 10.278
141 HZ3 LYS 20 2HZ LYS 20 -7.929 -4.758 9.797
142 H SER 21 H SER 21 -6.344 -1.407 2.981
143 HA SER 21 HA SER 21 -8.809 -0.746 1.527
144 HB2 SER 21 1HB SER 21 -9.538 -0.576 3.871
145 HB3 SER 21 2HB SER 21 -8.193 0.522 4.224
146 HG SER 21 HG SER 21 -10.253 1.561 3.758
147 H LYS 22 H LYS 22 -8.771 1.328 0.565
148 HA LYS 22 HA LYS 22 -6.271 2.318 -0.450
149 HB2 LYS 22 1HB LYS 22 -8.976 3.722 -0.231
150 HB3 LYS 22 2HB LYS 22 -7.601 4.262 -1.210
151 HG2 LYS 22 1HG LYS 22 -7.799 2.160 -2.550
152 HG3 LYS 22 2HG LYS 22 -9.267 1.767 -1.610
153 HD2 LYS 22 1HD LYS 22 -10.322 3.870 -2.374
154 HD3 LYS 22 2HD LYS 22 -8.869 4.256 -3.323
155 HE2 LYS 22 1HE LYS 22 -9.181 2.172 -4.642
156 HE3 LYS 22 2HE LYS 22 -10.626 1.787 -3.696
157 HZ1 LYS 22 3HZ LYS 22 -11.648 3.830 -4.549
158 HZ2 LYS 22 1HZ LYS 22 -11.203 2.871 -5.791
159 HZ3 LYS 22 2HZ LYS 22 -10.314 4.186 -5.424
160 H GLY 23 H GLY 23 -8.299 3.411 2.272
161 HA2 GLY 23 1HA GLY 23 -6.768 5.754 2.931
162 HA3 GLY 23 2HA GLY 23 -7.891 4.905 3.997
163 H THR 24 H THR 24 -6.602 2.364 4.154
164 HA THR 24 HA THR 24 -4.544 2.808 6.082
165 HB THR 24 HB THR 24 -4.974 0.227 4.539
166 HG1 THR 24 1HG THR 24 -6.442 -0.216 6.297
167 HG21 THR 24 3HG2 THR 24 -4.267 -0.822 6.631
168 HG22 THR 24 1HG2 THR 24 -4.143 0.769 7.423
169 HG23 THR 24 2HG2 THR 24 -3.031 0.335 6.110
170 H LEU 25 H LEU 25 -4.348 1.807 2.617
171 HA LEU 25 HA LEU 25 -1.485 1.740 2.497
172 HB2 LEU 25 1HB LEU 25 -2.809 0.644 0.833
173 HB3 LEU 25 2HB LEU 25 -3.697 2.114 0.464
174 HG LEU 25 HG LEU 25 -1.577 3.120 -0.470
175 HD11 LEU 25 1HD1 LEU 25 0.323 1.615 -0.964
176 HD12 LEU 25 2HD1 LEU 25 -0.479 0.301 -0.085
177 HD13 LEU 25 3HD1 LEU 25 0.082 1.753 0.775
178 HD21 LEU 25 3HD2 LEU 25 -2.343 0.477 -1.726
179 HD22 LEU 25 1HD2 LEU 25 -1.616 1.868 -2.537
180 HD23 LEU 25 2HD2 LEU 25 -3.262 1.994 -1.884
181 H LYS 26 H LYS 26 -3.810 4.455 1.884
182 HA LYS 26 HA LYS 26 -1.886 6.389 1.097
183 HB2 LYS 26 1HB LYS 26 -4.324 6.685 0.890
184 HB3 LYS 26 2HB LYS 26 -4.482 6.774 2.650
185 HG2 LYS 26 1HG LYS 26 -3.063 8.825 2.670
186 HG3 LYS 26 2HG LYS 26 -2.876 8.696 0.918
187 HD2 LYS 26 1HD LYS 26 -4.548 10.357 1.346
188 HD3 LYS 26 2HD LYS 26 -5.383 8.938 0.692
189 HE2 LYS 26 1HE LYS 26 -6.042 8.265 2.992
190 HE3 LYS 26 2HE LYS 26 -5.155 9.642 3.658
191 HZ1 LYS 26 3HZ LYS 26 -7.497 9.853 1.835
192 HZ2 LYS 26 1HZ LYS 26 -6.675 11.121 2.459
193 HZ3 LYS 26 2HZ LYS 26 -7.523 10.136 3.443
194 H SER 27 H SER 27 -3.106 5.744 4.416
195 HA SER 27 HA SER 27 -1.356 7.497 5.792
196 HB2 SER 27 1HB SER 27 -2.619 4.879 6.683
197 HB3 SER 27 2HB SER 27 -1.801 6.027 7.764
198 HG SER 27 HG SER 27 -4.082 6.370 7.672
199 H HIS 28 H HIS 28 -0.577 4.440 4.293
200 HA HIS 28 HA HIS 28 2.035 4.246 5.678
201 HB2 HIS 28 1HB HIS 28 0.890 2.172 5.264
202 HB3 HIS 28 2HB HIS 28 0.701 2.540 3.550
203 HD1 HIS 28 1HD HIS 28 3.543 1.750 6.052
204 HD2 HIS 28 2HD HIS 28 2.714 2.036 1.940
205 HE1 HIS 28 1HE HIS 28 5.638 0.946 4.869
206 H LYS 29 H LYS 29 0.821 4.997 2.356
207 HA LYS 29 HA LYS 29 3.370 5.465 1.155
208 HB2 LYS 29 1HB LYS 29 0.581 6.508 0.538
209 HB3 LYS 29 2HB LYS 29 1.998 6.944 -0.423
210 HG2 LYS 29 1HG LYS 29 2.462 4.542 -0.862
211 HG3 LYS 29 2HG LYS 29 0.989 4.097 0.014
212 HD2 LYS 29 1HD LYS 29 -0.400 5.299 -1.599
213 HD3 LYS 29 2HD LYS 29 1.040 5.976 -2.381
214 HE2 LYS 29 1HE LYS 29 1.775 3.677 -3.006
215 HE3 LYS 29 2HE LYS 29 0.275 3.037 -2.331
216 HZ1 LYS 29 3HZ LYS 29 0.446 4.960 -4.590
217 HZ2 LYS 29 1HZ LYS 29 -0.951 4.397 -3.959
218 HZ3 LYS 29 2HZ LYS 29 0.073 3.378 -4.723
219 H LEU 30 H LEU 30 1.343 7.667 3.052
220 HA LEU 30 HA LEU 30 2.861 10.042 2.737
221 HB2 LEU 30 1HB LEU 30 1.213 8.948 5.036
222 HB3 LEU 30 2HB LEU 30 1.924 10.558 5.069
223 HG LEU 30 HG LEU 30 -0.020 9.637 2.906
224 HD11 LEU 30 1HD1 LEU 30 -0.477 11.342 5.384
225 HD12 LEU 30 2HD1 LEU 30 -1.055 9.681 5.138
226 HD13 LEU 30 3HD1 LEU 30 -1.675 10.986 4.113
227 HD21 LEU 30 3HD2 LEU 30 1.372 11.472 2.118
228 HD22 LEU 30 1HD2 LEU 30 1.089 12.380 3.624
229 HD23 LEU 30 2HD2 LEU 30 -0.243 12.079 2.485
230 H LEU 31 H LEU 31 3.655 7.204 4.642
231 HA LEU 31 HA LEU 31 5.772 8.472 6.193
232 HB2 LEU 31 1HB LEU 31 5.441 5.518 5.568
233 HB3 LEU 31 2HB LEU 31 6.378 6.231 6.867
234 HG LEU 31 HG LEU 31 3.342 6.314 6.638
235 HD11 LEU 31 1HD1 LEU 31 5.153 4.742 8.509
236 HD12 LEU 31 2HD1 LEU 31 4.244 4.076 7.134
237 HD13 LEU 31 3HD1 LEU 31 3.374 4.754 8.520
238 HD21 LEU 31 3HD2 LEU 31 3.403 7.152 8.970
239 HD22 LEU 31 1HD2 LEU 31 4.159 8.290 7.853
240 HD23 LEU 31 2HD2 LEU 31 5.177 7.258 8.884
241 H HIS 32 H HIS 32 5.625 7.075 2.964
242 HA HIS 32 HA HIS 32 8.564 7.091 2.619
243 HB2 HIS 32 1HB HIS 32 6.283 6.629 0.665
244 HB3 HIS 32 2HB HIS 32 7.986 6.614 0.241
245 HD1 HIS 32 1HD HIS 32 9.484 4.582 1.406
246 HD2 HIS 32 2HD HIS 32 5.294 4.338 1.486
247 HE1 HIS 32 1HE HIS 32 8.946 2.138 1.811
248 H THR 33 H THR 33 5.730 9.018 1.478
249 HA THR 33 HA THR 33 7.332 11.453 1.595
250 HB THR 33 HB THR 33 7.997 10.776 -0.623
251 HG1 THR 33 1HG THR 33 7.806 12.855 -0.747
252 HG21 THR 33 3HG2 THR 33 6.499 10.494 -2.481
253 HG22 THR 33 1HG2 THR 33 5.070 10.765 -1.461
254 HG23 THR 33 2HG2 THR 33 6.067 9.308 -1.245
255 H ALA 34 H ALA 34 6.149 13.211 2.015
256 HA ALA 34 HA ALA 34 3.188 13.034 2.024
257 HB1 ALA 34 1HB ALA 34 4.346 13.713 4.092
258 HB2 ALA 34 2HB ALA 34 5.074 15.093 3.234
259 HB3 ALA 34 3HB ALA 34 3.314 15.009 3.462
260 H ASP 35 H ASP 35 5.429 13.861 -0.257
261 HA ASP 35 HA ASP 35 3.844 16.166 -1.350
262 HB2 ASP 35 1HB ASP 35 6.079 16.742 -0.424
263 HB3 ASP 35 2HB ASP 35 6.823 15.625 -1.569
264 H GLY 36 H GLY 36 5.534 13.140 -2.190
265 HA2 GLY 36 1HA GLY 36 5.142 11.675 -3.951
266 HA3 GLY 36 2HA GLY 36 3.847 12.718 -4.526
Start of MODEL 17
1 H1 GLY 1 1H GLY 1 -15.786 -9.682 -21.570
2 H2 GLY 1 2H GLY 1 -16.773 -10.383 -20.469
3 H3 GLY 1 3H GLY 1 -15.694 -11.296 -21.299
4 HA2 GLY 1 1HA GLY 1 -14.906 -10.951 -19.059
5 HA3 GLY 1 2HA GLY 1 -13.840 -10.184 -20.250
6 H SER 2 H SER 2 -13.279 -9.048 -18.140
7 HA SER 2 HA SER 2 -14.874 -6.535 -17.824
8 HB2 SER 2 1HB SER 2 -13.707 -8.216 -15.573
9 HB3 SER 2 2HB SER 2 -14.469 -6.626 -15.396
10 HG SER 2 HG SER 2 -15.926 -8.355 -14.958
11 H SER 3 H SER 3 -13.725 -4.690 -17.285
12 HA SER 3 HA SER 3 -10.991 -4.597 -18.219
13 HB2 SER 3 1HB SER 3 -12.692 -2.393 -17.005
14 HB3 SER 3 2HB SER 3 -11.218 -2.189 -17.971
15 HG SER 3 HG SER 3 -13.120 -1.927 -19.232
16 H GLY 4 H GLY 4 -12.081 -5.349 -15.142
17 HA2 GLY 4 1HA GLY 4 -9.505 -5.147 -13.891
18 HA3 GLY 4 2HA GLY 4 -10.567 -3.855 -13.320
19 H SER 5 H SER 5 -10.083 -5.075 -11.268
20 HA SER 5 HA SER 5 -12.275 -6.962 -10.646
21 HB2 SER 5 1HB SER 5 -10.134 -8.240 -11.267
22 HB3 SER 5 2HB SER 5 -9.428 -7.570 -9.788
23 HG SER 5 HG SER 5 -11.768 -9.199 -10.043
24 H SER 6 H SER 6 -12.584 -7.240 -8.307
25 HA SER 6 HA SER 6 -11.858 -4.816 -6.702
26 HB2 SER 6 1HB SER 6 -14.666 -5.873 -7.209
27 HB3 SER 6 2HB SER 6 -14.238 -4.562 -6.099
28 HG SER 6 HG SER 6 -14.940 -3.787 -8.148
29 H GLY 7 H GLY 7 -12.440 -4.947 -4.422
30 HA2 GLY 7 1HA GLY 7 -12.654 -5.967 -2.369
31 HA3 GLY 7 2HA GLY 7 -13.211 -7.436 -3.168
32 H LYS 8 H LYS 8 -10.095 -6.036 -3.951
33 HA LYS 8 HA LYS 8 -8.647 -8.323 -2.658
34 HB2 LYS 8 1HB LYS 8 -8.346 -7.116 -5.436
35 HB3 LYS 8 2HB LYS 8 -7.154 -8.212 -4.715
36 HG2 LYS 8 1HG LYS 8 -8.755 -9.994 -4.532
37 HG3 LYS 8 2HG LYS 8 -10.081 -8.943 -5.062
38 HD2 LYS 8 1HD LYS 8 -9.055 -8.656 -7.264
39 HD3 LYS 8 2HD LYS 8 -7.654 -9.649 -6.772
40 HE2 LYS 8 1HE LYS 8 -9.087 -11.568 -6.376
41 HE3 LYS 8 2HE LYS 8 -10.539 -10.594 -6.663
42 HZ1 LYS 8 3HZ LYS 8 -9.884 -10.316 -8.951
43 HZ2 LYS 8 1HZ LYS 8 -9.937 -11.916 -8.625
44 HZ3 LYS 8 2HZ LYS 8 -8.490 -11.164 -8.738
45 H THR 9 H THR 9 -6.325 -8.005 -2.404
46 HA THR 9 HA THR 9 -5.926 -6.000 -0.536
47 HB THR 9 HB THR 9 -3.486 -7.208 -1.817
48 HG1 THR 9 1HG THR 9 -3.963 -9.197 -0.878
49 HG21 THR 9 3HG2 THR 9 -2.980 -7.729 0.560
50 HG22 THR 9 1HG2 THR 9 -4.516 -6.981 1.046
51 HG23 THR 9 2HG2 THR 9 -3.244 -5.997 0.284
52 H HIS 10 H HIS 10 -4.858 -4.088 -0.386
53 HA HIS 10 HA HIS 10 -4.049 -2.676 -2.875
54 HB2 HIS 10 1HB HIS 10 -4.515 -1.711 -0.030
55 HB3 HIS 10 2HB HIS 10 -3.961 -0.701 -1.359
56 HD1 HIS 10 1HD HIS 10 -5.801 0.209 -3.014
57 HD2 HIS 10 2HD HIS 10 -7.111 -2.758 -0.334
58 HE1 HIS 10 1HE HIS 10 -8.344 0.158 -3.190
59 H LEU 11 H LEU 11 -1.930 -1.610 -2.959
60 HA LEU 11 HA LEU 11 0.185 -2.982 -1.356
61 HB2 LEU 11 1HB LEU 11 -0.251 -4.426 -3.162
62 HB3 LEU 11 2HB LEU 11 -0.393 -3.093 -4.319
63 HG LEU 11 HG LEU 11 2.080 -2.696 -4.116
64 HD11 LEU 11 1HD1 LEU 11 3.444 -4.537 -3.177
65 HD12 LEU 11 2HD1 LEU 11 1.968 -5.331 -2.586
66 HD13 LEU 11 3HD1 LEU 11 2.477 -3.769 -1.912
67 HD21 LEU 11 3HD2 LEU 11 1.109 -4.023 -5.935
68 HD22 LEU 11 1HD2 LEU 11 1.187 -5.488 -4.922
69 HD23 LEU 11 2HD2 LEU 11 2.683 -4.672 -5.448
70 H CYS 12 H CYS 12 1.923 -1.884 -0.910
71 HA CYS 12 HA CYS 12 2.432 0.857 -1.764
72 HB2 CYS 12 1HB CYS 12 2.945 0.007 0.499
73 HB3 CYS 12 2HB CYS 12 4.046 -1.189 -0.194
74 H ASP 13 H ASP 13 3.407 1.368 -3.636
75 HA ASP 13 HA ASP 13 4.796 -0.635 -5.276
76 HB2 ASP 13 1HB ASP 13 3.213 1.049 -6.184
77 HB3 ASP 13 2HB ASP 13 4.337 2.333 -5.729
78 H MET 14 H MET 14 5.790 1.152 -2.662
79 HA MET 14 HA MET 14 8.499 1.847 -3.716
80 HB2 MET 14 1HB MET 14 6.874 2.809 -1.347
81 HB3 MET 14 2HB MET 14 8.538 3.313 -1.681
82 HG2 MET 14 1HG MET 14 7.871 4.140 -3.882
83 HG3 MET 14 2HG MET 14 6.195 3.690 -3.594
84 HE1 MET 14 3HE MET 14 4.434 5.180 -2.551
85 HE2 MET 14 1HE MET 14 5.133 4.545 -1.046
86 HE3 MET 14 2HE MET 14 4.785 6.284 -1.204
87 H CYS 15 H CYS 15 6.937 0.061 -1.089
88 HA CYS 15 HA CYS 15 9.492 -1.394 -0.679
89 HB2 CYS 15 1HB CYS 15 9.356 -1.400 1.677
90 HB3 CYS 15 2HB CYS 15 9.376 0.254 1.091
91 H GLY 16 H GLY 16 6.325 -1.743 -1.545
92 HA2 GLY 16 1HA GLY 16 5.419 -3.732 -2.345
93 HA3 GLY 16 2HA GLY 16 6.713 -4.633 -1.575
94 H LYS 17 H LYS 17 5.282 -2.774 0.803
95 HA LYS 17 HA LYS 17 4.012 -5.004 2.123
96 HB2 LYS 17 1HB LYS 17 4.044 -2.019 2.732
97 HB3 LYS 17 2HB LYS 17 3.356 -3.243 3.807
98 HG2 LYS 17 1HG LYS 17 5.547 -4.373 3.985
99 HG3 LYS 17 2HG LYS 17 6.246 -3.213 2.843
100 HD2 LYS 17 1HD LYS 17 5.666 -1.362 4.458
101 HD3 LYS 17 2HD LYS 17 5.144 -2.589 5.612
102 HE2 LYS 17 1HE LYS 17 7.412 -1.817 6.109
103 HE3 LYS 17 2HE LYS 17 7.415 -3.534 5.694
104 HZ1 LYS 17 3HZ LYS 17 8.305 -3.020 3.556
105 HZ2 LYS 17 1HZ LYS 17 9.198 -2.134 4.601
106 HZ3 LYS 17 2HZ LYS 17 8.024 -1.426 3.683
107 H LYS 18 H LYS 18 1.886 -5.325 2.674
108 HA LYS 18 HA LYS 18 -0.077 -4.353 0.635
109 HB2 LYS 18 1HB LYS 18 0.502 -7.065 1.820
110 HB3 LYS 18 2HB LYS 18 -1.063 -6.717 1.095
111 HG2 LYS 18 1HG LYS 18 -0.187 -6.300 -1.046
112 HG3 LYS 18 2HG LYS 18 1.439 -6.040 -0.445
113 HD2 LYS 18 1HD LYS 18 1.432 -8.542 0.263
114 HD3 LYS 18 2HD LYS 18 -0.055 -8.670 -0.688
115 HE2 LYS 18 1HE LYS 18 1.630 -9.303 -2.193
116 HE3 LYS 18 2HE LYS 18 1.260 -7.632 -2.629
117 HZ1 LYS 18 3HZ LYS 18 3.664 -7.992 -2.512
118 HZ2 LYS 18 1HZ LYS 18 3.576 -8.541 -0.984
119 HZ3 LYS 18 2HZ LYS 18 3.273 -6.970 -1.297
120 H PHE 19 H PHE 19 -2.119 -3.882 1.164
121 HA PHE 19 HA PHE 19 -2.823 -3.569 4.053
122 HB2 PHE 19 1HB PHE 19 -2.858 -1.445 1.875
123 HB3 PHE 19 2HB PHE 19 -3.465 -1.217 3.506
124 HD1 PHE 19 2HD PHE 19 -1.861 -1.449 5.486
125 HD2 PHE 19 1HD PHE 19 -0.494 -1.285 1.403
126 HE1 PHE 19 2HE PHE 19 0.441 -0.961 6.278
127 HE2 PHE 19 1HE PHE 19 1.806 -0.803 2.197
128 HZ PHE 19 HZ PHE 19 2.281 -0.665 4.633
129 H LYS 20 H LYS 20 -4.990 -3.240 4.571
130 HA LYS 20 HA LYS 20 -6.821 -4.850 3.046
131 HB2 LYS 20 1HB LYS 20 -8.328 -4.541 4.878
132 HB3 LYS 20 2HB LYS 20 -6.705 -4.756 5.526
133 HG2 LYS 20 1HG LYS 20 -6.544 -2.247 5.816
134 HG3 LYS 20 2HG LYS 20 -8.224 -2.115 5.262
135 HD2 LYS 20 1HD LYS 20 -8.891 -3.674 7.132
136 HD3 LYS 20 2HD LYS 20 -7.238 -3.585 7.747
137 HE2 LYS 20 1HE LYS 20 -9.160 -1.233 7.389
138 HE3 LYS 20 2HE LYS 20 -8.834 -2.064 8.911
139 HZ1 LYS 20 3HZ LYS 20 -7.507 -0.085 8.789
140 HZ2 LYS 20 1HZ LYS 20 -6.873 -0.471 7.343
141 HZ3 LYS 20 2HZ LYS 20 -6.484 -1.351 8.681
142 H SER 21 H SER 21 -6.291 -1.443 2.981
143 HA SER 21 HA SER 21 -8.490 -0.973 1.070
144 HB2 SER 21 1HB SER 21 -9.651 -0.690 3.176
145 HB3 SER 21 2HB SER 21 -8.354 0.332 3.815
146 HG SER 21 HG SER 21 -10.264 1.448 2.954
147 H LYS 22 H LYS 22 -8.233 0.951 -0.101
148 HA LYS 22 HA LYS 22 -5.647 2.155 -0.418
149 HB2 LYS 22 1HB LYS 22 -6.858 3.906 -1.707
150 HB3 LYS 22 2HB LYS 22 -7.159 2.265 -2.250
151 HG2 LYS 22 1HG LYS 22 -9.363 2.253 -1.123
152 HG3 LYS 22 2HG LYS 22 -9.062 3.886 -0.502
153 HD2 LYS 22 1HD LYS 22 -8.930 4.748 -2.824
154 HD3 LYS 22 2HD LYS 22 -9.227 3.110 -3.447
155 HE2 LYS 22 1HE LYS 22 -11.413 3.061 -2.266
156 HE3 LYS 22 2HE LYS 22 -11.116 4.688 -1.640
157 HZ1 LYS 22 3HZ LYS 22 -11.096 5.498 -3.940
158 HZ2 LYS 22 1HZ LYS 22 -12.509 4.747 -3.626
159 HZ3 LYS 22 2HZ LYS 22 -11.372 3.995 -4.520
160 H GLY 23 H GLY 23 -8.308 2.937 1.758
161 HA2 GLY 23 1HA GLY 23 -7.320 5.490 2.680
162 HA3 GLY 23 2HA GLY 23 -8.459 4.425 3.514
163 H THR 24 H THR 24 -6.465 2.158 3.491
164 HA THR 24 HA THR 24 -4.871 2.916 5.879
165 HB THR 24 HB THR 24 -5.034 0.238 4.449
166 HG1 THR 24 1HG THR 24 -6.994 1.287 5.519
167 HG21 THR 24 3HG2 THR 24 -4.200 0.945 7.297
168 HG22 THR 24 1HG2 THR 24 -3.082 0.491 5.998
169 HG23 THR 24 2HG2 THR 24 -4.268 -0.685 6.585
170 H LEU 25 H LEU 25 -4.315 1.759 2.510
171 HA LEU 25 HA LEU 25 -1.485 1.835 2.529
172 HB2 LEU 25 1HB LEU 25 -2.716 0.739 0.771
173 HB3 LEU 25 2HB LEU 25 -3.583 2.221 0.372
174 HG LEU 25 HG LEU 25 -1.509 3.257 -0.473
175 HD11 LEU 25 1HD1 LEU 25 0.506 1.892 -0.841
176 HD12 LEU 25 2HD1 LEU 25 -0.235 0.536 0.035
177 HD13 LEU 25 3HD1 LEU 25 0.174 2.044 0.880
178 HD21 LEU 25 3HD2 LEU 25 -2.083 0.538 -1.672
179 HD22 LEU 25 1HD2 LEU 25 -1.340 1.916 -2.499
180 HD23 LEU 25 2HD2 LEU 25 -3.023 2.028 -1.953
181 H LYS 26 H LYS 26 -3.825 4.465 1.768
182 HA LYS 26 HA LYS 26 -2.142 6.548 1.039
183 HB2 LYS 26 1HB LYS 26 -4.555 6.801 1.108
184 HB3 LYS 26 2HB LYS 26 -4.601 6.432 2.830
185 HG2 LYS 26 1HG LYS 26 -3.366 8.622 3.266
186 HG3 LYS 26 2HG LYS 26 -3.510 8.966 1.542
187 HD2 LYS 26 1HD LYS 26 -5.252 10.114 2.813
188 HD3 LYS 26 2HD LYS 26 -5.962 8.923 1.730
189 HE2 LYS 26 1HE LYS 26 -7.118 8.917 3.864
190 HE3 LYS 26 2HE LYS 26 -6.328 7.366 3.609
191 HZ1 LYS 26 3HZ LYS 26 -5.194 9.531 5.308
192 HZ2 LYS 26 1HZ LYS 26 -4.622 7.992 5.201
193 HZ3 LYS 26 2HZ LYS 26 -6.059 8.275 5.882
194 H SER 27 H SER 27 -2.980 5.646 4.398
195 HA SER 27 HA SER 27 -1.295 7.594 5.639
196 HB2 SER 27 1HB SER 27 -2.508 5.051 6.767
197 HB3 SER 27 2HB SER 27 -1.850 6.409 7.708
198 HG SER 27 HG SER 27 -4.125 6.566 7.439
199 H HIS 28 H HIS 28 -0.552 4.421 4.379
200 HA HIS 28 HA HIS 28 2.066 4.264 5.731
201 HB2 HIS 28 1HB HIS 28 0.947 2.186 5.240
202 HB3 HIS 28 2HB HIS 28 0.756 2.615 3.539
203 HD1 HIS 28 1HD HIS 28 3.606 1.764 6.013
204 HD2 HIS 28 2HD HIS 28 2.772 2.171 1.912
205 HE1 HIS 28 1HE HIS 28 5.707 1.013 4.806
206 H LYS 29 H LYS 29 0.828 5.147 2.457
207 HA LYS 29 HA LYS 29 3.366 5.627 1.238
208 HB2 LYS 29 1HB LYS 29 0.578 6.709 0.704
209 HB3 LYS 29 2HB LYS 29 1.984 7.193 -0.256
210 HG2 LYS 29 1HG LYS 29 2.442 4.820 -0.813
211 HG3 LYS 29 2HG LYS 29 0.997 4.326 0.083
212 HD2 LYS 29 1HD LYS 29 -0.445 5.575 -1.441
213 HD3 LYS 29 2HD LYS 29 0.965 6.298 -2.237
214 HE2 LYS 29 1HE LYS 29 1.708 4.052 -2.987
215 HE3 LYS 29 2HE LYS 29 0.263 3.341 -2.260
216 HZ1 LYS 29 3HZ LYS 29 -0.063 3.761 -4.632
217 HZ2 LYS 29 1HZ LYS 29 0.261 5.348 -4.456
218 HZ3 LYS 29 2HZ LYS 29 -1.083 4.712 -3.783
219 H LEU 30 H LEU 30 1.422 7.798 3.266
220 HA LEU 30 HA LEU 30 2.984 10.150 3.043
221 HB2 LEU 30 1HB LEU 30 1.525 8.940 5.425
222 HB3 LEU 30 2HB LEU 30 2.235 10.549 5.444
223 HG LEU 30 HG LEU 30 0.028 9.677 3.534
224 HD11 LEU 30 1HD1 LEU 30 -0.680 9.786 5.913
225 HD12 LEU 30 2HD1 LEU 30 -1.430 11.058 4.931
226 HD13 LEU 30 3HD1 LEU 30 -0.070 11.449 6.008
227 HD21 LEU 30 3HD2 LEU 30 1.259 12.411 4.075
228 HD22 LEU 30 1HD2 LEU 30 -0.210 12.119 3.117
229 HD23 LEU 30 2HD2 LEU 30 1.340 11.494 2.554
230 H LEU 31 H LEU 31 3.799 7.171 4.787
231 HA LEU 31 HA LEU 31 5.986 8.327 6.303
232 HB2 LEU 31 1HB LEU 31 5.575 5.416 5.547
233 HB3 LEU 31 2HB LEU 31 6.562 6.043 6.854
234 HG LEU 31 HG LEU 31 3.517 6.199 6.713
235 HD11 LEU 31 1HD1 LEU 31 5.350 4.512 8.459
236 HD12 LEU 31 2HD1 LEU 31 4.392 3.926 7.081
237 HD13 LEU 31 3HD1 LEU 31 3.571 4.556 8.520
238 HD21 LEU 31 3HD2 LEU 31 4.408 8.104 7.990
239 HD22 LEU 31 1HD2 LEU 31 5.434 7.008 8.943
240 HD23 LEU 31 2HD2 LEU 31 3.662 6.928 9.077
241 H HIS 32 H HIS 32 5.712 7.279 2.993
242 HA HIS 32 HA HIS 32 8.654 7.202 2.587
243 HB2 HIS 32 1HB HIS 32 6.313 6.830 0.686
244 HB3 HIS 32 2HB HIS 32 8.002 6.809 0.209
245 HD1 HIS 32 1HD HIS 32 9.514 4.732 1.263
246 HD2 HIS 32 2HD HIS 32 5.326 4.518 1.471
247 HE1 HIS 32 1HE HIS 32 8.967 2.282 1.614
248 H THR 33 H THR 33 5.841 9.334 1.875
249 HA THR 33 HA THR 33 7.500 11.111 0.246
250 HB THR 33 HB THR 33 5.443 12.397 -0.086
251 HG1 THR 33 1HG THR 33 3.534 11.630 0.775
252 HG21 THR 33 3HG2 THR 33 4.200 10.714 -1.339
253 HG22 THR 33 1HG2 THR 33 4.998 9.401 -0.449
254 HG23 THR 33 2HG2 THR 33 5.939 10.441 -1.540
255 H ALA 34 H ALA 34 6.303 11.246 3.593
256 HA ALA 34 HA ALA 34 6.942 14.066 3.895
257 HB1 ALA 34 1HB ALA 34 6.394 11.932 5.992
258 HB2 ALA 34 2HB ALA 34 6.416 13.688 6.252
259 HB3 ALA 34 3HB ALA 34 5.173 12.965 5.210
260 H ASP 35 H ASP 35 8.735 15.033 4.703
261 HA ASP 35 HA ASP 35 11.217 13.438 4.942
262 HB2 ASP 35 1HB ASP 35 11.049 15.411 3.450
263 HB3 ASP 35 2HB ASP 35 10.750 16.438 4.852
264 H GLY 36 H GLY 36 9.014 15.126 7.061
265 HA2 GLY 36 1HA GLY 36 9.912 14.126 9.497
266 HA3 GLY 36 2HA GLY 36 10.805 15.633 9.285
Start of MODEL 18
1 H1 GLY 1 1H GLY 1 7.362 -7.862 -20.817
2 H2 GLY 1 2H GLY 1 7.525 -8.105 -19.204
3 H3 GLY 1 3H GLY 1 8.302 -6.859 -19.926
4 HA2 GLY 1 1HA GLY 1 6.215 -5.784 -20.467
5 HA3 GLY 1 2HA GLY 1 5.379 -7.130 -19.671
6 H SER 2 H SER 2 4.425 -5.343 -18.392
7 HA SER 2 HA SER 2 5.949 -3.726 -16.600
8 HB2 SER 2 1HB SER 2 3.044 -4.600 -16.392
9 HB3 SER 2 2HB SER 2 3.798 -3.239 -15.540
10 HG SER 2 HG SER 2 2.700 -2.570 -17.450
11 H SER 3 H SER 3 6.200 -3.799 -14.348
12 HA SER 3 HA SER 3 6.560 -6.468 -13.182
13 HB2 SER 3 1HB SER 3 8.200 -4.592 -12.915
14 HB3 SER 3 2HB SER 3 7.011 -3.760 -11.890
15 HG SER 3 HG SER 3 8.526 -5.048 -10.692
16 H GLY 4 H GLY 4 5.675 -7.150 -11.176
17 HA2 GLY 4 1HA GLY 4 4.032 -7.508 -9.594
18 HA3 GLY 4 2HA GLY 4 3.438 -5.874 -9.863
19 H SER 5 H SER 5 1.501 -7.391 -9.320
20 HA SER 5 HA SER 5 0.024 -7.984 -11.828
21 HB2 SER 5 1HB SER 5 0.192 -9.926 -9.487
22 HB3 SER 5 2HB SER 5 -0.818 -10.110 -10.928
23 HG SER 5 HG SER 5 1.143 -10.165 -12.174
24 H SER 6 H SER 6 -2.212 -7.792 -11.668
25 HA SER 6 HA SER 6 -3.287 -6.117 -9.568
26 HB2 SER 6 1HB SER 6 -4.711 -7.617 -11.799
27 HB3 SER 6 2HB SER 6 -5.400 -6.324 -10.796
28 HG SER 6 HG SER 6 -4.610 -5.540 -12.812
29 H GLY 7 H GLY 7 -5.048 -6.579 -8.148
30 HA2 GLY 7 1HA GLY 7 -6.235 -9.135 -7.744
31 HA3 GLY 7 2HA GLY 7 -4.880 -8.965 -6.626
32 H LYS 8 H LYS 8 -7.079 -9.314 -5.366
33 HA LYS 8 HA LYS 8 -8.651 -6.886 -4.854
34 HB2 LYS 8 1HB LYS 8 -8.829 -9.678 -3.653
35 HB3 LYS 8 2HB LYS 8 -9.982 -8.360 -3.382
36 HG2 LYS 8 1HG LYS 8 -10.513 -8.305 -5.788
37 HG3 LYS 8 2HG LYS 8 -9.405 -9.668 -6.061
38 HD2 LYS 8 1HD LYS 8 -10.731 -11.067 -4.489
39 HD3 LYS 8 2HD LYS 8 -11.854 -9.707 -4.233
40 HE2 LYS 8 1HE LYS 8 -12.343 -9.663 -6.650
41 HE3 LYS 8 2HE LYS 8 -11.221 -11.007 -6.910
42 HZ1 LYS 8 3HZ LYS 8 -13.703 -11.151 -5.272
43 HZ2 LYS 8 1HZ LYS 8 -12.667 -12.393 -5.510
44 HZ3 LYS 8 2HZ LYS 8 -13.524 -11.791 -6.761
45 H THR 9 H THR 9 -6.014 -6.420 -4.219
46 HA THR 9 HA THR 9 -6.071 -5.873 -1.299
47 HB THR 9 HB THR 9 -3.618 -7.152 -2.565
48 HG1 THR 9 1HG THR 9 -4.263 -9.070 -1.602
49 HG21 THR 9 3HG2 THR 9 -3.089 -7.696 -0.191
50 HG22 THR 9 1HG2 THR 9 -4.534 -6.802 0.326
51 HG23 THR 9 2HG2 THR 9 -3.189 -5.953 -0.470
52 H HIS 10 H HIS 10 -4.929 -4.038 -0.720
53 HA HIS 10 HA HIS 10 -3.989 -2.253 -2.891
54 HB2 HIS 10 1HB HIS 10 -4.572 -1.837 0.067
55 HB3 HIS 10 2HB HIS 10 -3.888 -0.610 -0.970
56 HD1 HIS 10 1HD HIS 10 -5.507 0.397 -2.918
57 HD2 HIS 10 2HD HIS 10 -7.211 -2.362 -0.239
58 HE1 HIS 10 1HE HIS 10 -8.026 0.600 -3.202
59 H LEU 11 H LEU 11 -1.839 -1.472 -3.003
60 HA LEU 11 HA LEU 11 0.195 -2.948 -1.388
61 HB2 LEU 11 1HB LEU 11 -0.232 -4.298 -3.281
62 HB3 LEU 11 2HB LEU 11 -0.252 -2.907 -4.376
63 HG LEU 11 HG LEU 11 2.215 -2.610 -3.987
64 HD11 LEU 11 1HD1 LEU 11 3.479 -4.499 -3.050
65 HD12 LEU 11 2HD1 LEU 11 1.971 -5.340 -2.649
66 HD13 LEU 11 3HD1 LEU 11 2.404 -3.832 -1.818
67 HD21 LEU 11 3HD2 LEU 11 2.861 -4.511 -5.396
68 HD22 LEU 11 1HD2 LEU 11 1.348 -3.778 -5.949
69 HD23 LEU 11 2HD2 LEU 11 1.307 -5.310 -5.041
70 H CYS 12 H CYS 12 1.908 -1.902 -0.817
71 HA CYS 12 HA CYS 12 2.497 0.867 -1.520
72 HB2 CYS 12 1HB CYS 12 2.906 -0.083 0.716
73 HB3 CYS 12 2HB CYS 12 3.992 -1.279 0.016
74 H ASP 13 H ASP 13 3.599 1.475 -3.287
75 HA ASP 13 HA ASP 13 4.973 -0.484 -5.006
76 HB2 ASP 13 1HB ASP 13 3.474 1.265 -5.901
77 HB3 ASP 13 2HB ASP 13 4.570 2.513 -5.298
78 H MET 14 H MET 14 5.863 1.363 -2.319
79 HA MET 14 HA MET 14 8.603 2.001 -3.238
80 HB2 MET 14 1HB MET 14 7.129 2.734 -0.686
81 HB3 MET 14 2HB MET 14 8.684 3.346 -1.218
82 HG2 MET 14 1HG MET 14 7.293 5.029 -1.727
83 HG3 MET 14 2HG MET 14 7.469 4.245 -3.292
84 HE1 MET 14 3HE MET 14 5.481 6.108 -3.656
85 HE2 MET 14 1HE MET 14 3.901 6.036 -2.832
86 HE3 MET 14 2HE MET 14 5.379 6.413 -1.909
87 H CYS 15 H CYS 15 7.004 0.116 -0.675
88 HA CYS 15 HA CYS 15 9.551 -1.359 -0.254
89 HB2 CYS 15 1HB CYS 15 9.347 -1.461 2.071
90 HB3 CYS 15 2HB CYS 15 9.328 0.218 1.563
91 H GLY 16 H GLY 16 6.404 -1.702 -1.256
92 HA2 GLY 16 1HA GLY 16 5.553 -3.653 -2.183
93 HA3 GLY 16 2HA GLY 16 6.844 -4.566 -1.426
94 H LYS 17 H LYS 17 5.140 -2.780 0.911
95 HA LYS 17 HA LYS 17 3.927 -5.158 2.090
96 HB2 LYS 17 1HB LYS 17 3.873 -2.216 2.882
97 HB3 LYS 17 2HB LYS 17 3.173 -3.520 3.849
98 HG2 LYS 17 1HG LYS 17 5.384 -4.612 4.046
99 HG3 LYS 17 2HG LYS 17 6.099 -3.369 3.005
100 HD2 LYS 17 1HD LYS 17 5.451 -1.632 4.697
101 HD3 LYS 17 2HD LYS 17 4.869 -2.920 5.755
102 HE2 LYS 17 1HE LYS 17 7.114 -2.182 6.403
103 HE3 LYS 17 2HE LYS 17 7.126 -3.877 5.907
104 HZ1 LYS 17 3HZ LYS 17 8.127 -3.269 3.841
105 HZ2 LYS 17 1HZ LYS 17 8.975 -2.453 4.976
106 HZ3 LYS 17 2HZ LYS 17 7.861 -1.681 4.037
107 H LYS 18 H LYS 18 1.862 -5.696 2.386
108 HA LYS 18 HA LYS 18 -0.128 -4.496 0.522
109 HB2 LYS 18 1HB LYS 18 0.389 -7.282 1.534
110 HB3 LYS 18 2HB LYS 18 -1.232 -6.836 1.014
111 HG2 LYS 18 1HG LYS 18 -0.497 -6.228 -1.196
112 HG3 LYS 18 2HG LYS 18 1.206 -6.342 -0.733
113 HD2 LYS 18 1HD LYS 18 0.952 -8.772 -0.332
114 HD3 LYS 18 2HD LYS 18 -0.759 -8.675 -0.810
115 HE2 LYS 18 1HE LYS 18 -0.080 -7.859 -3.059
116 HE3 LYS 18 2HE LYS 18 1.622 -7.930 -2.577
117 HZ1 LYS 18 3HZ LYS 18 -0.198 -10.278 -2.734
118 HZ2 LYS 18 1HZ LYS 18 1.374 -10.338 -2.291
119 HZ3 LYS 18 2HZ LYS 18 0.971 -9.917 -3.813
120 H PHE 19 H PHE 19 -2.127 -4.022 1.056
121 HA PHE 19 HA PHE 19 -2.999 -3.876 3.905
122 HB2 PHE 19 1HB PHE 19 -2.931 -1.619 1.856
123 HB3 PHE 19 2HB PHE 19 -3.618 -1.489 3.463
124 HD1 PHE 19 2HD PHE 19 -2.072 -1.806 5.500
125 HD2 PHE 19 1HD PHE 19 -0.575 -1.380 1.483
126 HE1 PHE 19 2HE PHE 19 0.177 -1.251 6.397
127 HE2 PHE 19 1HE PHE 19 1.672 -0.847 2.378
128 HZ PHE 19 HZ PHE 19 2.057 -0.784 4.836
129 H LYS 20 H LYS 20 -5.326 -3.569 4.160
130 HA LYS 20 HA LYS 20 -6.859 -4.588 1.817
131 HB2 LYS 20 1HB LYS 20 -6.579 -5.874 4.101
132 HB3 LYS 20 2HB LYS 20 -7.857 -4.794 4.648
133 HG2 LYS 20 1HG LYS 20 -8.830 -6.864 3.912
134 HG3 LYS 20 2HG LYS 20 -9.288 -5.623 2.745
135 HD2 LYS 20 1HD LYS 20 -7.594 -6.448 1.148
136 HD3 LYS 20 2HD LYS 20 -6.988 -7.600 2.355
137 HE2 LYS 20 1HE LYS 20 -9.155 -8.766 2.347
138 HE3 LYS 20 2HE LYS 20 -9.821 -7.571 1.224
139 HZ1 LYS 20 3HZ LYS 20 -8.213 -8.290 -0.438
140 HZ2 LYS 20 1HZ LYS 20 -9.067 -9.588 0.074
141 HZ3 LYS 20 2HZ LYS 20 -7.534 -9.366 0.595
142 H SER 21 H SER 21 -6.317 -1.695 2.859
143 HA SER 21 HA SER 21 -8.793 -0.689 1.646
144 HB2 SER 21 1HB SER 21 -9.434 -0.651 3.983
145 HB3 SER 21 2HB SER 21 -7.929 0.172 4.426
146 HG SER 21 HG SER 21 -9.814 1.567 4.172
147 H LYS 22 H LYS 22 -8.552 1.215 0.597
148 HA LYS 22 HA LYS 22 -5.955 2.119 -0.211
149 HB2 LYS 22 1HB LYS 22 -8.463 2.299 -1.227
150 HB3 LYS 22 2HB LYS 22 -8.364 3.901 -0.518
151 HG2 LYS 22 1HG LYS 22 -6.388 2.713 -2.523
152 HG3 LYS 22 2HG LYS 22 -7.767 3.731 -2.930
153 HD2 LYS 22 1HD LYS 22 -6.753 5.580 -1.545
154 HD3 LYS 22 2HD LYS 22 -5.298 4.564 -1.358
155 HE2 LYS 22 1HE LYS 22 -5.048 4.421 -3.801
156 HE3 LYS 22 2HE LYS 22 -6.524 5.359 -4.031
157 HZ1 LYS 22 3HZ LYS 22 -4.553 6.763 -4.227
158 HZ2 LYS 22 1HZ LYS 22 -4.062 6.388 -2.716
159 HZ3 LYS 22 2HZ LYS 22 -5.436 7.247 -2.946
160 H GLY 23 H GLY 23 -8.181 3.248 2.318
161 HA2 GLY 23 1HA GLY 23 -6.787 5.696 2.974
162 HA3 GLY 23 2HA GLY 23 -7.909 4.812 4.012
163 H THR 24 H THR 24 -6.500 2.321 4.190
164 HA THR 24 HA THR 24 -4.454 2.875 6.143
165 HB THR 24 HB THR 24 -4.908 0.254 4.674
166 HG1 THR 24 1HG THR 24 -6.160 1.225 7.032
167 HG21 THR 24 3HG2 THR 24 -2.890 0.343 6.123
168 HG22 THR 24 1HG2 THR 24 -4.123 -0.752 6.775
169 HG23 THR 24 2HG2 THR 24 -3.892 0.863 7.489
170 H LEU 25 H LEU 25 -4.279 1.759 2.701
171 HA LEU 25 HA LEU 25 -1.434 1.738 2.533
172 HB2 LEU 25 1HB LEU 25 -2.799 0.653 0.875
173 HB3 LEU 25 2HB LEU 25 -3.670 2.139 0.526
174 HG LEU 25 HG LEU 25 -1.554 3.136 -0.405
175 HD11 LEU 25 1HD1 LEU 25 -0.477 0.310 -0.008
176 HD12 LEU 25 2HD1 LEU 25 0.116 1.772 0.807
177 HD13 LEU 25 3HD1 LEU 25 0.321 1.590 -0.933
178 HD21 LEU 25 3HD2 LEU 25 -1.654 2.016 -2.488
179 HD22 LEU 25 1HD2 LEU 25 -3.287 1.952 -1.787
180 HD23 LEU 25 2HD2 LEU 25 -2.225 0.520 -1.744
181 H LYS 26 H LYS 26 -3.772 4.436 1.943
182 HA LYS 26 HA LYS 26 -1.861 6.397 1.169
183 HB2 LYS 26 1HB LYS 26 -4.293 6.660 0.899
184 HB3 LYS 26 2HB LYS 26 -4.510 6.698 2.653
185 HG2 LYS 26 1HG LYS 26 -3.132 8.779 2.773
186 HG3 LYS 26 2HG LYS 26 -2.906 8.708 1.022
187 HD2 LYS 26 1HD LYS 26 -4.623 10.316 1.461
188 HD3 LYS 26 2HD LYS 26 -5.418 8.899 0.754
189 HE2 LYS 26 1HE LYS 26 -6.104 8.153 3.022
190 HE3 LYS 26 2HE LYS 26 -5.253 9.525 3.742
191 HZ1 LYS 26 3HZ LYS 26 -6.781 11.011 2.559
192 HZ2 LYS 26 1HZ LYS 26 -7.626 9.984 3.502
193 HZ3 LYS 26 2HZ LYS 26 -7.569 9.747 1.888
194 H SER 27 H SER 27 -3.121 5.677 4.439
195 HA SER 27 HA SER 27 -1.542 7.481 5.931
196 HB2 SER 27 1HB SER 27 -3.474 6.087 6.729
197 HB3 SER 27 2HB SER 27 -2.390 4.682 6.769
198 HG SER 27 HG SER 27 -2.573 5.774 8.809
199 H HIS 28 H HIS 28 -0.621 4.423 4.462
200 HA HIS 28 HA HIS 28 2.001 4.308 5.804
201 HB2 HIS 28 1HB HIS 28 0.811 2.244 5.396
202 HB3 HIS 28 2HB HIS 28 0.690 2.586 3.672
203 HD1 HIS 28 1HD HIS 28 3.381 1.687 6.290
204 HD2 HIS 28 2HD HIS 28 2.750 2.015 2.144
205 HE1 HIS 28 1HE HIS 28 5.465 0.734 5.196
206 H LYS 29 H LYS 29 0.791 5.076 2.490
207 HA LYS 29 HA LYS 29 3.375 5.547 1.329
208 HB2 LYS 29 1HB LYS 29 0.549 6.354 0.595
209 HB3 LYS 29 2HB LYS 29 1.942 6.978 -0.304
210 HG2 LYS 29 1HG LYS 29 2.734 4.655 -0.708
211 HG3 LYS 29 2HG LYS 29 1.276 4.024 0.075
212 HD2 LYS 29 1HD LYS 29 -0.145 5.005 -1.639
213 HD3 LYS 29 2HD LYS 29 1.220 5.909 -2.322
214 HE2 LYS 29 1HE LYS 29 2.358 3.770 -2.888
215 HE3 LYS 29 2HE LYS 29 0.958 2.875 -2.289
216 HZ1 LYS 29 3HZ LYS 29 -0.390 4.003 -4.006
217 HZ2 LYS 29 1HZ LYS 29 0.826 3.157 -4.688
218 HZ3 LYS 29 2HZ LYS 29 0.931 4.781 -4.571
219 H LEU 30 H LEU 30 1.325 7.720 3.216
220 HA LEU 30 HA LEU 30 2.795 10.132 2.849
221 HB2 LEU 30 1HB LEU 30 1.290 8.963 5.219
222 HB3 LEU 30 2HB LEU 30 1.968 10.584 5.253
223 HG LEU 30 HG LEU 30 -0.066 9.691 3.165
224 HD11 LEU 30 1HD1 LEU 30 -0.980 9.596 5.455
225 HD12 LEU 30 2HD1 LEU 30 -1.703 10.917 4.518
226 HD13 LEU 30 3HD1 LEU 30 -0.453 11.267 5.740
227 HD21 LEU 30 3HD2 LEU 30 0.960 12.438 3.990
228 HD22 LEU 30 1HD2 LEU 30 -0.374 12.128 2.854
229 HD23 LEU 30 2HD2 LEU 30 1.266 11.619 2.443
230 H LEU 31 H LEU 31 3.746 7.264 4.597
231 HA LEU 31 HA LEU 31 5.956 8.533 6.042
232 HB2 LEU 31 1HB LEU 31 5.579 5.582 5.438
233 HB3 LEU 31 2HB LEU 31 6.585 6.296 6.681
234 HG LEU 31 HG LEU 31 3.534 6.380 6.636
235 HD11 LEU 31 1HD1 LEU 31 4.455 4.135 7.050
236 HD12 LEU 31 2HD1 LEU 31 3.684 4.803 8.499
237 HD13 LEU 31 3HD1 LEU 31 5.459 4.781 8.368
238 HD21 LEU 31 3HD2 LEU 31 3.746 7.198 8.963
239 HD22 LEU 31 1HD2 LEU 31 4.444 8.342 7.813
240 HD23 LEU 31 2HD2 LEU 31 5.513 7.293 8.772
241 H HIS 32 H HIS 32 5.543 7.428 2.784
242 HA HIS 32 HA HIS 32 8.480 7.225 2.295
243 HB2 HIS 32 1HB HIS 32 6.072 6.466 0.600
244 HB3 HIS 32 2HB HIS 32 7.743 6.387 0.065
245 HD1 HIS 32 1HD HIS 32 9.356 4.610 1.545
246 HD2 HIS 32 2HD HIS 32 5.170 4.266 1.661
247 HE1 HIS 32 1HE HIS 32 8.879 2.207 2.216
248 H THR 33 H THR 33 5.616 9.189 1.359
249 HA THR 33 HA THR 33 6.986 10.575 -0.759
250 HB THR 33 HB THR 33 5.056 12.147 -0.696
251 HG1 THR 33 1HG THR 33 3.372 11.705 0.657
252 HG21 THR 33 3HG2 THR 33 4.308 9.190 -0.713
253 HG22 THR 33 1HG2 THR 33 4.987 10.102 -2.077
254 HG23 THR 33 2HG2 THR 33 3.384 10.517 -1.446
255 H ALA 34 H ALA 34 7.585 12.742 -0.945
256 HA ALA 34 HA ALA 34 8.719 13.917 1.551
257 HB1 ALA 34 1HB ALA 34 9.773 13.982 -1.302
258 HB2 ALA 34 2HB ALA 34 10.580 14.630 0.142
259 HB3 ALA 34 3HB ALA 34 10.326 12.884 -0.015
260 H ASP 35 H ASP 35 6.092 14.554 -0.138
261 HA ASP 35 HA ASP 35 6.289 17.495 0.151
262 HB2 ASP 35 1HB ASP 35 6.887 17.001 -2.200
263 HB3 ASP 35 2HB ASP 35 5.394 16.082 -2.394
264 H GLY 36 H GLY 36 4.333 18.519 0.558
265 HA2 GLY 36 1HA GLY 36 1.715 17.374 0.454
266 HA3 GLY 36 2HA GLY 36 2.376 17.148 2.073
Start of MODEL 19
1 H1 GLY 1 1H GLY 1 3.296 -11.738 2.658
2 H2 GLY 1 2H GLY 1 4.316 -11.062 1.568
3 H3 GLY 1 3H GLY 1 4.825 -12.304 2.510
4 HA2 GLY 1 1HA GLY 1 4.406 -13.107 0.292
5 HA3 GLY 1 2HA GLY 1 3.277 -13.820 1.458
6 H SER 2 H SER 2 1.537 -14.159 0.122
7 HA SER 2 HA SER 2 -0.110 -11.850 -0.608
8 HB2 SER 2 1HB SER 2 1.394 -12.205 -2.610
9 HB3 SER 2 2HB SER 2 0.724 -13.839 -2.763
10 HG SER 2 HG SER 2 -0.375 -12.350 -4.086
11 H SER 3 H SER 3 -2.300 -12.503 -1.160
12 HA SER 3 HA SER 3 -3.235 -15.002 0.080
13 HB2 SER 3 1HB SER 3 -4.766 -12.765 -1.293
14 HB3 SER 3 2HB SER 3 -5.482 -14.132 -0.415
15 HG SER 3 HG SER 3 -5.285 -12.250 0.899
16 H GLY 4 H GLY 4 -1.667 -15.922 -1.733
17 HA2 GLY 4 1HA GLY 4 -1.325 -17.143 -3.643
18 HA3 GLY 4 2HA GLY 4 -3.071 -17.418 -3.703
19 H SER 5 H SER 5 -2.041 -14.102 -3.827
20 HA SER 5 HA SER 5 -2.639 -12.468 -5.238
21 HB2 SER 5 1HB SER 5 -1.302 -14.228 -7.308
22 HB3 SER 5 2HB SER 5 -1.654 -12.496 -7.482
23 HG SER 5 HG SER 5 0.493 -12.897 -6.736
24 H SER 6 H SER 6 -4.660 -14.568 -4.817
25 HA SER 6 HA SER 6 -6.315 -14.404 -7.297
26 HB2 SER 6 1HB SER 6 -5.808 -16.609 -6.237
27 HB3 SER 6 2HB SER 6 -6.725 -16.102 -4.811
28 HG SER 6 HG SER 6 -8.589 -16.000 -6.081
29 H GLY 7 H GLY 7 -6.446 -13.654 -3.797
30 HA2 GLY 7 1HA GLY 7 -9.007 -12.216 -3.982
31 HA3 GLY 7 2HA GLY 7 -7.932 -12.295 -2.588
32 H LYS 8 H LYS 8 -9.252 -9.944 -3.686
33 HA LYS 8 HA LYS 8 -7.118 -8.284 -4.870
34 HB2 LYS 8 1HB LYS 8 -9.504 -8.059 -5.572
35 HB3 LYS 8 2HB LYS 8 -9.904 -7.458 -3.954
36 HG2 LYS 8 1HG LYS 8 -8.429 -5.545 -4.248
37 HG3 LYS 8 2HG LYS 8 -7.900 -6.154 -5.836
38 HD2 LYS 8 1HD LYS 8 -10.132 -5.876 -6.766
39 HD3 LYS 8 2HD LYS 8 -10.822 -5.606 -5.159
40 HE2 LYS 8 1HE LYS 8 -10.696 -3.480 -6.152
41 HE3 LYS 8 2HE LYS 8 -9.442 -3.574 -4.906
42 HZ1 LYS 8 3HZ LYS 8 -7.805 -3.947 -6.689
43 HZ2 LYS 8 1HZ LYS 8 -8.612 -2.561 -6.979
44 HZ3 LYS 8 2HZ LYS 8 -8.974 -3.900 -7.833
45 H THR 9 H THR 9 -5.801 -6.970 -3.829
46 HA THR 9 HA THR 9 -6.225 -6.130 -1.012
47 HB THR 9 HB THR 9 -3.630 -7.469 -1.880
48 HG1 THR 9 1HG THR 9 -5.792 -8.591 -0.424
49 HG21 THR 9 3HG2 THR 9 -3.317 -7.724 0.589
50 HG22 THR 9 1HG2 THR 9 -4.783 -6.756 0.853
51 HG23 THR 9 2HG2 THR 9 -3.358 -6.035 0.068
52 H HIS 10 H HIS 10 -5.046 -4.207 -0.485
53 HA HIS 10 HA HIS 10 -4.096 -2.645 -2.809
54 HB2 HIS 10 1HB HIS 10 -4.556 -1.961 0.114
55 HB3 HIS 10 2HB HIS 10 -3.822 -0.859 -1.037
56 HD1 HIS 10 1HD HIS 10 -5.421 0.308 -2.807
57 HD2 HIS 10 2HD HIS 10 -7.223 -2.610 -0.370
58 HE1 HIS 10 1HE HIS 10 -7.929 0.508 -3.192
59 H LEU 11 H LEU 11 -1.964 -2.006 -3.149
60 HA LEU 11 HA LEU 11 0.145 -3.248 -1.438
61 HB2 LEU 11 1HB LEU 11 -0.247 -4.831 -3.127
62 HB3 LEU 11 2HB LEU 11 -0.397 -3.598 -4.388
63 HG LEU 11 HG LEU 11 2.063 -3.136 -4.183
64 HD11 LEU 11 1HD1 LEU 11 2.022 -5.624 -2.422
65 HD12 LEU 11 2HD1 LEU 11 2.443 -3.987 -1.880
66 HD13 LEU 11 3HD1 LEU 11 3.471 -4.814 -3.051
67 HD21 LEU 11 3HD2 LEU 11 1.169 -4.654 -5.901
68 HD22 LEU 11 1HD2 LEU 11 1.284 -6.021 -4.770
69 HD23 LEU 11 2HD2 LEU 11 2.756 -5.194 -5.333
70 H CYS 12 H CYS 12 1.816 -2.062 -1.025
71 HA CYS 12 HA CYS 12 2.229 0.613 -2.129
72 HB2 CYS 12 1HB CYS 12 2.566 -0.171 0.278
73 HB3 CYS 12 2HB CYS 12 3.980 -1.057 -0.290
74 H ASP 13 H ASP 13 3.203 0.864 -4.087
75 HA ASP 13 HA ASP 13 4.972 -1.148 -5.252
76 HB2 ASP 13 1HB ASP 13 5.096 0.367 -7.134
77 HB3 ASP 13 2HB ASP 13 3.426 0.152 -6.630
78 H MET 14 H MET 14 5.495 1.150 -2.872
79 HA MET 14 HA MET 14 8.193 1.995 -3.738
80 HB2 MET 14 1HB MET 14 6.553 2.694 -1.282
81 HB3 MET 14 2HB MET 14 8.083 3.413 -1.739
82 HG2 MET 14 1HG MET 14 7.075 4.256 -3.825
83 HG3 MET 14 2HG MET 14 5.525 3.531 -3.384
84 HE1 MET 14 3HE MET 14 4.319 5.811 -3.801
85 HE2 MET 14 1HE MET 14 4.787 7.345 -3.033
86 HE3 MET 14 2HE MET 14 5.870 6.577 -4.219
87 H CYS 15 H CYS 15 6.737 0.016 -1.175
88 HA CYS 15 HA CYS 15 9.431 -1.071 -0.487
89 HB2 CYS 15 1HB CYS 15 8.835 -1.183 1.830
90 HB3 CYS 15 2HB CYS 15 8.792 0.471 1.223
91 H GLY 16 H GLY 16 6.205 -1.824 -1.424
92 HA2 GLY 16 1HA GLY 16 5.561 -3.918 -2.282
93 HA3 GLY 16 2HA GLY 16 6.874 -4.702 -1.423
94 H LYS 17 H LYS 17 5.229 -2.771 0.802
95 HA LYS 17 HA LYS 17 3.976 -5.042 2.131
96 HB2 LYS 17 1HB LYS 17 3.965 -2.046 2.699
97 HB3 LYS 17 2HB LYS 17 3.184 -3.246 3.732
98 HG2 LYS 17 1HG LYS 17 5.378 -4.411 4.022
99 HG3 LYS 17 2HG LYS 17 6.158 -3.151 3.049
100 HD2 LYS 17 1HD LYS 17 5.457 -1.437 4.706
101 HD3 LYS 17 2HD LYS 17 4.698 -2.712 5.690
102 HE2 LYS 17 1HE LYS 17 6.914 -3.861 5.856
103 HE3 LYS 17 2HE LYS 17 7.650 -2.557 4.917
104 HZ1 LYS 17 3HZ LYS 17 7.044 -1.014 6.704
105 HZ2 LYS 17 1HZ LYS 17 7.955 -2.226 7.307
106 HZ3 LYS 17 2HZ LYS 17 6.345 -2.215 7.568
107 H LYS 18 H LYS 18 1.949 -5.611 2.421
108 HA LYS 18 HA LYS 18 -0.115 -4.474 0.611
109 HB2 LYS 18 1HB LYS 18 0.333 -7.192 1.852
110 HB3 LYS 18 2HB LYS 18 -1.241 -6.721 1.229
111 HG2 LYS 18 1HG LYS 18 -0.347 -6.317 -1.000
112 HG3 LYS 18 2HG LYS 18 1.303 -6.618 -0.437
113 HD2 LYS 18 1HD LYS 18 0.585 -8.955 0.224
114 HD3 LYS 18 2HD LYS 18 -1.004 -8.612 -0.473
115 HE2 LYS 18 1HE LYS 18 0.087 -9.776 -2.187
116 HE3 LYS 18 2HE LYS 18 0.217 -8.085 -2.678
117 HZ1 LYS 18 3HZ LYS 18 2.330 -9.687 -1.325
118 HZ2 LYS 18 1HZ LYS 18 2.506 -8.109 -1.736
119 HZ3 LYS 18 2HZ LYS 18 2.344 -9.245 -2.901
120 H PHE 19 H PHE 19 -2.102 -3.948 1.222
121 HA PHE 19 HA PHE 19 -2.753 -3.609 4.115
122 HB2 PHE 19 1HB PHE 19 -2.808 -1.491 1.929
123 HB3 PHE 19 2HB PHE 19 -3.411 -1.260 3.559
124 HD1 PHE 19 2HD PHE 19 -1.788 -1.491 5.539
125 HD2 PHE 19 1HD PHE 19 -0.455 -1.316 1.446
126 HE1 PHE 19 2HE PHE 19 0.509 -0.956 6.311
127 HE2 PHE 19 1HE PHE 19 1.842 -0.812 2.221
128 HZ PHE 19 HZ PHE 19 2.333 -0.631 4.652
129 H LYS 20 H LYS 20 -4.961 -3.182 4.602
130 HA LYS 20 HA LYS 20 -6.789 -4.872 3.127
131 HB2 LYS 20 1HB LYS 20 -7.459 -2.903 5.365
132 HB3 LYS 20 2HB LYS 20 -8.393 -4.313 4.852
133 HG2 LYS 20 1HG LYS 20 -6.419 -5.753 5.537
134 HG3 LYS 20 2HG LYS 20 -5.696 -4.280 6.235
135 HD2 LYS 20 1HD LYS 20 -7.659 -4.005 7.717
136 HD3 LYS 20 2HD LYS 20 -8.390 -5.473 7.026
137 HE2 LYS 20 1HE LYS 20 -6.431 -6.802 7.793
138 HE3 LYS 20 2HE LYS 20 -5.713 -5.346 8.492
139 HZ1 LYS 20 3HZ LYS 20 -7.639 -5.194 9.983
140 HZ2 LYS 20 1HZ LYS 20 -6.902 -6.637 10.169
141 HZ3 LYS 20 2HZ LYS 20 -8.301 -6.543 9.336
142 H SER 21 H SER 21 -6.270 -1.426 3.138
143 HA SER 21 HA SER 21 -8.537 -0.914 1.282
144 HB2 SER 21 1HB SER 21 -9.431 -0.798 3.560
145 HB3 SER 21 2HB SER 21 -8.143 0.301 4.044
146 HG SER 21 HG SER 21 -10.178 1.345 3.474
147 H LYS 22 H LYS 22 -8.471 1.140 0.281
148 HA LYS 22 HA LYS 22 -5.900 2.144 -0.468
149 HB2 LYS 22 1HB LYS 22 -8.255 2.303 -1.654
150 HB3 LYS 22 2HB LYS 22 -8.439 3.782 -0.704
151 HG2 LYS 22 1HG LYS 22 -6.221 4.563 -1.672
152 HG3 LYS 22 2HG LYS 22 -6.237 3.145 -2.722
153 HD2 LYS 22 1HD LYS 22 -8.346 5.353 -2.663
154 HD3 LYS 22 2HD LYS 22 -7.041 5.205 -3.846
155 HE2 LYS 22 1HE LYS 22 -7.955 3.009 -4.584
156 HE3 LYS 22 2HE LYS 22 -9.284 3.177 -3.426
157 HZ1 LYS 22 3HZ LYS 22 -8.759 5.027 -5.692
158 HZ2 LYS 22 1HZ LYS 22 -9.983 5.184 -4.620
159 HZ3 LYS 22 2HZ LYS 22 -9.947 3.912 -5.640
160 H GLY 23 H GLY 23 -8.211 3.241 1.999
161 HA2 GLY 23 1HA GLY 23 -6.886 5.690 2.736
162 HA3 GLY 23 2HA GLY 23 -7.997 4.748 3.741
163 H THR 24 H THR 24 -6.518 2.310 3.895
164 HA THR 24 HA THR 24 -4.559 2.874 5.928
165 HB THR 24 HB THR 24 -4.840 0.274 4.391
166 HG1 THR 24 1HG THR 24 -6.360 1.142 6.620
167 HG21 THR 24 3HG2 THR 24 -4.199 -0.749 6.518
168 HG22 THR 24 1HG2 THR 24 -4.137 0.849 7.303
169 HG23 THR 24 2HG2 THR 24 -2.972 0.436 6.030
170 H LEU 25 H LEU 25 -4.238 1.758 2.507
171 HA LEU 25 HA LEU 25 -1.391 1.753 2.407
172 HB2 LEU 25 1HB LEU 25 -2.721 0.640 0.737
173 HB3 LEU 25 2HB LEU 25 -3.588 2.119 0.351
174 HG LEU 25 HG LEU 25 -1.481 3.105 -0.583
175 HD11 LEU 25 1HD1 LEU 25 -0.359 0.304 -0.155
176 HD12 LEU 25 2HD1 LEU 25 0.194 1.774 0.677
177 HD13 LEU 25 3HD1 LEU 25 0.420 1.608 -1.066
178 HD21 LEU 25 3HD2 LEU 25 -2.189 0.433 -1.821
179 HD22 LEU 25 1HD2 LEU 25 -1.503 1.852 -2.630
180 HD23 LEU 25 2HD2 LEU 25 -3.154 1.924 -1.983
181 H LYS 26 H LYS 26 -3.728 4.407 1.693
182 HA LYS 26 HA LYS 26 -1.804 6.381 0.970
183 HB2 LYS 26 1HB LYS 26 -4.195 6.575 0.504
184 HB3 LYS 26 2HB LYS 26 -4.565 6.677 2.232
185 HG2 LYS 26 1HG LYS 26 -3.243 8.755 2.422
186 HG3 LYS 26 2HG LYS 26 -2.816 8.666 0.710
187 HD2 LYS 26 1HD LYS 26 -5.646 8.960 1.818
188 HD3 LYS 26 2HD LYS 26 -4.637 10.289 1.225
189 HE2 LYS 26 1HE LYS 26 -4.538 9.194 -1.021
190 HE3 LYS 26 2HE LYS 26 -5.618 7.921 -0.434
191 HZ1 LYS 26 3HZ LYS 26 -7.308 9.638 -0.032
192 HZ2 LYS 26 1HZ LYS 26 -6.850 9.660 -1.598
193 HZ3 LYS 26 2HZ LYS 26 -6.309 10.810 -0.578
194 H SER 27 H SER 27 -3.272 5.718 4.174
195 HA SER 27 HA SER 27 -1.810 7.645 5.668
196 HB2 SER 27 1HB SER 27 -2.855 4.930 6.575
197 HB3 SER 27 2HB SER 27 -2.341 6.255 7.633
198 HG SER 27 HG SER 27 -4.552 6.164 5.855
199 H HIS 28 H HIS 28 -0.807 4.510 4.469
200 HA HIS 28 HA HIS 28 1.708 4.435 6.000
201 HB2 HIS 28 1HB HIS 28 0.784 2.320 5.515
202 HB3 HIS 28 2HB HIS 28 0.450 2.729 3.839
203 HD1 HIS 28 1HD HIS 28 3.529 1.989 6.061
204 HD2 HIS 28 2HD HIS 28 2.295 2.275 2.052
205 HE1 HIS 28 1HE HIS 28 5.502 1.197 4.673
206 H LYS 29 H LYS 29 0.774 5.146 2.582
207 HA LYS 29 HA LYS 29 3.422 5.633 1.666
208 HB2 LYS 29 1HB LYS 29 0.660 6.301 0.640
209 HB3 LYS 29 2HB LYS 29 2.076 7.028 -0.132
210 HG2 LYS 29 1HG LYS 29 3.089 4.795 -0.445
211 HG3 LYS 29 2HG LYS 29 1.642 4.030 0.237
212 HD2 LYS 29 1HD LYS 29 0.281 4.778 -1.606
213 HD3 LYS 29 2HD LYS 29 1.541 5.902 -2.165
214 HE2 LYS 29 1HE LYS 29 3.056 3.992 -2.617
215 HE3 LYS 29 2HE LYS 29 1.794 2.859 -2.139
216 HZ1 LYS 29 3HZ LYS 29 1.988 3.289 -4.585
217 HZ2 LYS 29 1HZ LYS 29 1.492 4.818 -4.359
218 HZ3 LYS 29 2HZ LYS 29 0.471 3.585 -4.014
219 H LEU 30 H LEU 30 1.337 7.827 3.424
220 HA LEU 30 HA LEU 30 2.746 10.263 3.007
221 HB2 LEU 30 1HB LEU 30 1.418 9.090 5.485
222 HB3 LEU 30 2HB LEU 30 2.036 10.735 5.420
223 HG LEU 30 HG LEU 30 -0.145 9.674 3.577
224 HD11 LEU 30 1HD1 LEU 30 -0.831 9.767 5.957
225 HD12 LEU 30 2HD1 LEU 30 -1.674 10.977 4.973
226 HD13 LEU 30 3HD1 LEU 30 -0.328 11.469 6.028
227 HD21 LEU 30 3HD2 LEU 30 -0.544 12.082 3.115
228 HD22 LEU 30 1HD2 LEU 30 1.043 11.551 2.553
229 HD23 LEU 30 2HD2 LEU 30 0.909 12.491 4.058
230 H LEU 31 H LEU 31 3.780 7.409 4.799
231 HA LEU 31 HA LEU 31 5.969 8.740 6.194
232 HB2 LEU 31 1HB LEU 31 5.510 5.773 5.729
233 HB3 LEU 31 2HB LEU 31 6.566 6.500 6.927
234 HG LEU 31 HG LEU 31 3.516 6.717 6.913
235 HD11 LEU 31 1HD1 LEU 31 5.401 5.134 8.704
236 HD12 LEU 31 2HD1 LEU 31 4.346 4.461 7.441
237 HD13 LEU 31 3HD1 LEU 31 3.632 5.241 8.862
238 HD21 LEU 31 3HD2 LEU 31 5.564 7.665 8.967
239 HD22 LEU 31 1HD2 LEU 31 3.800 7.644 9.194
240 HD23 LEU 31 2HD2 LEU 31 4.512 8.701 7.971
241 H HIS 32 H HIS 32 5.648 7.559 2.958
242 HA HIS 32 HA HIS 32 8.560 7.172 2.569
243 HB2 HIS 32 1HB HIS 32 6.173 6.908 0.708
244 HB3 HIS 32 2HB HIS 32 7.839 6.681 0.206
245 HD1 HIS 32 1HD HIS 32 9.108 4.717 2.097
246 HD2 HIS 32 2HD HIS 32 5.141 4.548 0.749
247 HE1 HIS 32 1HE HIS 32 8.445 2.270 2.209
248 H THR 33 H THR 33 6.625 9.905 2.726
249 HA THR 33 HA THR 33 8.319 11.424 0.797
250 HB THR 33 HB THR 33 6.229 10.675 -0.305
251 HG1 THR 33 1HG THR 33 5.835 12.689 -1.180
252 HG21 THR 33 3HG2 THR 33 4.109 11.775 0.192
253 HG22 THR 33 1HG2 THR 33 4.821 12.612 1.588
254 HG23 THR 33 2HG2 THR 33 4.644 10.842 1.595
255 H ALA 34 H ALA 34 7.871 13.812 0.935
256 HA ALA 34 HA ALA 34 8.207 14.651 3.761
257 HB1 ALA 34 1HB ALA 34 8.773 16.107 1.146
258 HB2 ALA 34 2HB ALA 34 9.203 16.667 2.774
259 HB3 ALA 34 3HB ALA 34 9.963 15.208 2.116
260 H ASP 35 H ASP 35 7.317 16.796 4.395
261 HA ASP 35 HA ASP 35 4.446 16.921 3.994
262 HB2 ASP 35 1HB ASP 35 6.389 18.742 5.469
263 HB3 ASP 35 2HB ASP 35 4.635 18.898 5.524
264 H GLY 36 H GLY 36 7.056 18.397 2.291
265 HA2 GLY 36 1HA GLY 36 5.389 19.731 0.371
266 HA3 GLY 36 2HA GLY 36 6.066 20.915 1.492
Start of MODEL 20
1 H1 GLY 1 1H GLY 1 -6.828 -20.457 -13.942
2 H2 GLY 1 2H GLY 1 -6.446 -19.106 -14.788
3 H3 GLY 1 3H GLY 1 -8.009 -19.579 -14.665
4 HA2 GLY 1 1HA GLY 1 -8.009 -19.188 -12.286
5 HA3 GLY 1 2HA GLY 1 -6.323 -18.657 -12.430
6 H SER 2 H SER 2 -6.957 -16.617 -11.527
7 HA SER 2 HA SER 2 -7.903 -14.660 -13.532
8 HB2 SER 2 1HB SER 2 -9.572 -13.699 -12.114
9 HB3 SER 2 2HB SER 2 -9.922 -15.426 -12.231
10 HG SER 2 HG SER 2 -10.081 -14.767 -10.100
11 H SER 3 H SER 3 -7.768 -12.366 -12.507
12 HA SER 3 HA SER 3 -5.117 -11.968 -11.346
13 HB2 SER 3 1HB SER 3 -5.578 -9.595 -11.745
14 HB3 SER 3 2HB SER 3 -5.884 -10.581 -13.181
15 HG SER 3 HG SER 3 -7.628 -9.252 -12.988
16 H GLY 4 H GLY 4 -7.101 -13.307 -9.593
17 HA2 GLY 4 1HA GLY 4 -7.470 -13.276 -7.291
18 HA3 GLY 4 2HA GLY 4 -6.864 -11.622 -7.187
19 H SER 5 H SER 5 -9.513 -12.888 -9.260
20 HA SER 5 HA SER 5 -11.299 -10.738 -8.714
21 HB2 SER 5 1HB SER 5 -12.982 -12.123 -9.863
22 HB3 SER 5 2HB SER 5 -11.447 -12.054 -10.744
23 HG SER 5 HG SER 5 -12.428 -14.198 -10.533
24 H SER 6 H SER 6 -10.827 -13.735 -6.932
25 HA SER 6 HA SER 6 -13.240 -13.691 -5.384
26 HB2 SER 6 1HB SER 6 -10.511 -14.816 -4.652
27 HB3 SER 6 2HB SER 6 -12.060 -15.230 -3.895
28 HG SER 6 HG SER 6 -11.447 -16.768 -5.483
29 H GLY 7 H GLY 7 -10.422 -11.649 -5.173
30 HA2 GLY 7 1HA GLY 7 -11.489 -9.840 -3.366
31 HA3 GLY 7 2HA GLY 7 -10.576 -10.961 -2.357
32 H LYS 8 H LYS 8 -10.363 -8.074 -3.788
33 HA LYS 8 HA LYS 8 -7.564 -8.161 -4.746
34 HB2 LYS 8 1HB LYS 8 -9.593 -5.892 -4.589
35 HB3 LYS 8 2HB LYS 8 -7.991 -5.759 -5.313
36 HG2 LYS 8 1HG LYS 8 -10.156 -7.637 -6.325
37 HG3 LYS 8 2HG LYS 8 -9.820 -6.015 -6.932
38 HD2 LYS 8 1HD LYS 8 -7.447 -6.744 -7.434
39 HD3 LYS 8 2HD LYS 8 -7.932 -8.414 -7.030
40 HE2 LYS 8 1HE LYS 8 -9.691 -8.347 -8.714
41 HE3 LYS 8 2HE LYS 8 -9.365 -6.633 -9.024
42 HZ1 LYS 8 3HZ LYS 8 -8.325 -8.164 -10.690
43 HZ2 LYS 8 1HZ LYS 8 -7.379 -8.797 -9.524
44 HZ3 LYS 8 2HZ LYS 8 -7.221 -7.223 -9.937
45 H THR 9 H THR 9 -5.965 -6.676 -3.996
46 HA THR 9 HA THR 9 -6.150 -5.861 -1.125
47 HB THR 9 HB THR 9 -3.664 -7.190 -2.254
48 HG1 THR 9 1HG THR 9 -5.251 -8.759 -2.296
49 HG21 THR 9 3HG2 THR 9 -4.683 -6.695 0.579
50 HG22 THR 9 1HG2 THR 9 -3.292 -5.911 -0.207
51 HG23 THR 9 2HG2 THR 9 -3.239 -7.640 0.165
52 H HIS 10 H HIS 10 -4.956 -4.016 -0.575
53 HA HIS 10 HA HIS 10 -4.008 -2.342 -2.832
54 HB2 HIS 10 1HB HIS 10 -4.528 -1.783 0.110
55 HB3 HIS 10 2HB HIS 10 -3.833 -0.617 -1.002
56 HD1 HIS 10 1HD HIS 10 -5.463 0.476 -2.824
57 HD2 HIS 10 2HD HIS 10 -7.176 -2.423 -0.299
58 HE1 HIS 10 1HE HIS 10 -7.981 0.650 -3.150
59 H LEU 11 H LEU 11 -1.855 -1.595 -3.028
60 HA LEU 11 HA LEU 11 0.203 -3.018 -1.398
61 HB2 LEU 11 1HB LEU 11 -0.260 -4.448 -3.218
62 HB3 LEU 11 2HB LEU 11 -0.309 -3.109 -4.375
63 HG LEU 11 HG LEU 11 2.164 -2.802 -4.086
64 HD11 LEU 11 1HD1 LEU 11 1.969 -5.435 -2.558
65 HD12 LEU 11 2HD1 LEU 11 2.434 -3.874 -1.852
66 HD13 LEU 11 3HD1 LEU 11 3.462 -4.627 -3.073
67 HD21 LEU 11 3HD2 LEU 11 1.251 -5.582 -4.920
68 HD22 LEU 11 1HD2 LEU 11 2.774 -4.787 -5.390
69 HD23 LEU 11 2HD2 LEU 11 1.227 -4.122 -5.937
70 H CYS 12 H CYS 12 1.930 -1.950 -0.906
71 HA CYS 12 HA CYS 12 2.515 0.784 -1.751
72 HB2 CYS 12 1HB CYS 12 2.917 -0.102 0.538
73 HB3 CYS 12 2HB CYS 12 4.055 -1.276 -0.128
74 H ASP 13 H ASP 13 3.523 1.230 -3.659
75 HA ASP 13 HA ASP 13 5.139 -0.825 -5.025
76 HB2 ASP 13 1HB ASP 13 5.233 0.695 -6.889
77 HB3 ASP 13 2HB ASP 13 3.582 0.423 -6.359
78 H MET 14 H MET 14 5.820 1.394 -2.590
79 HA MET 14 HA MET 14 8.571 2.001 -3.473
80 HB2 MET 14 1HB MET 14 7.146 2.621 -0.866
81 HB3 MET 14 2HB MET 14 8.716 3.211 -1.369
82 HG2 MET 14 1HG MET 14 7.405 4.974 -1.756
83 HG3 MET 14 2HG MET 14 7.494 4.280 -3.374
84 HE1 MET 14 3HE MET 14 4.020 6.185 -2.664
85 HE2 MET 14 1HE MET 14 5.549 6.452 -1.791
86 HE3 MET 14 2HE MET 14 5.562 6.245 -3.554
87 H CYS 15 H CYS 15 6.976 0.044 -0.927
88 HA CYS 15 HA CYS 15 9.543 -1.395 -0.498
89 HB2 CYS 15 1HB CYS 15 9.369 -1.398 1.830
90 HB3 CYS 15 2HB CYS 15 9.320 0.256 1.252
91 H GLY 16 H GLY 16 6.377 -1.814 -1.426
92 HA2 GLY 16 1HA GLY 16 5.552 -3.815 -2.264
93 HA3 GLY 16 2HA GLY 16 6.851 -4.679 -1.466
94 H LYS 17 H LYS 17 5.141 -2.795 0.783
95 HA LYS 17 HA LYS 17 3.939 -5.130 2.071
96 HB2 LYS 17 1HB LYS 17 3.931 -2.162 2.764
97 HB3 LYS 17 2HB LYS 17 3.244 -3.425 3.790
98 HG2 LYS 17 1HG LYS 17 5.456 -4.524 3.972
99 HG3 LYS 17 2HG LYS 17 6.150 -3.313 2.879
100 HD2 LYS 17 1HD LYS 17 5.534 -1.525 4.531
101 HD3 LYS 17 2HD LYS 17 4.987 -2.784 5.641
102 HE2 LYS 17 1HE LYS 17 7.245 -2.018 6.206
103 HE3 LYS 17 2HE LYS 17 7.253 -3.725 5.760
104 HZ1 LYS 17 3HZ LYS 17 9.067 -2.321 4.737
105 HZ2 LYS 17 1HZ LYS 17 7.923 -1.584 3.806
106 HZ3 LYS 17 2HZ LYS 17 8.194 -3.176 3.652
107 H LYS 18 H LYS 18 1.868 -5.626 2.431
108 HA LYS 18 HA LYS 18 -0.142 -4.449 0.574
109 HB2 LYS 18 1HB LYS 18 0.343 -7.220 1.657
110 HB3 LYS 18 2HB LYS 18 -1.261 -6.757 1.099
111 HG2 LYS 18 1HG LYS 18 -0.466 -6.208 -1.113
112 HG3 LYS 18 2HG LYS 18 1.224 -6.385 -0.616
113 HD2 LYS 18 1HD LYS 18 0.859 -8.787 -0.162
114 HD3 LYS 18 2HD LYS 18 -0.841 -8.629 -0.668
115 HE2 LYS 18 1HE LYS 18 -0.096 -7.896 -2.925
116 HE3 LYS 18 2HE LYS 18 1.594 -8.042 -2.419
117 HZ1 LYS 18 3HZ LYS 18 0.857 -10.022 -3.619
118 HZ2 LYS 18 1HZ LYS 18 -0.341 -10.297 -2.548
119 HZ3 LYS 18 2HZ LYS 18 1.220 -10.427 -2.081
120 H PHE 19 H PHE 19 -2.142 -3.936 1.141
121 HA PHE 19 HA PHE 19 -2.833 -3.666 4.030
122 HB2 PHE 19 1HB PHE 19 -2.846 -1.495 1.900
123 HB3 PHE 19 2HB PHE 19 -3.463 -1.302 3.532
124 HD1 PHE 19 2HD PHE 19 -1.872 -1.570 5.513
125 HD2 PHE 19 1HD PHE 19 -0.482 -1.348 1.442
126 HE1 PHE 19 2HE PHE 19 0.423 -1.068 6.324
127 HE2 PHE 19 1HE PHE 19 1.807 -0.866 2.253
128 HZ PHE 19 HZ PHE 19 2.270 -0.736 4.694
129 H LYS 20 H LYS 20 -4.968 -3.277 4.545
130 HA LYS 20 HA LYS 20 -6.896 -4.784 3.010
131 HB2 LYS 20 1HB LYS 20 -8.370 -4.344 4.937
132 HB3 LYS 20 2HB LYS 20 -6.787 -4.947 5.424
133 HG2 LYS 20 1HG LYS 20 -6.069 -2.674 6.064
134 HG3 LYS 20 2HG LYS 20 -7.605 -2.002 5.485
135 HD2 LYS 20 1HD LYS 20 -8.844 -3.203 7.208
136 HD3 LYS 20 2HD LYS 20 -7.395 -4.090 7.692
137 HE2 LYS 20 1HE LYS 20 -7.842 -2.327 9.294
138 HE3 LYS 20 2HE LYS 20 -6.315 -2.028 8.463
139 HZ1 LYS 20 3HZ LYS 20 -8.882 -0.700 7.757
140 HZ2 LYS 20 1HZ LYS 20 -7.410 -0.361 7.104
141 HZ3 LYS 20 2HZ LYS 20 -7.712 -0.023 8.669
142 H SER 21 H SER 21 -6.246 -1.386 3.076
143 HA SER 21 HA SER 21 -8.596 -0.771 1.388
144 HB2 SER 21 1HB SER 21 -9.483 -0.563 3.660
145 HB3 SER 21 2HB SER 21 -8.129 0.483 4.124
146 HG SER 21 HG SER 21 -10.125 1.590 3.534
147 H LYS 22 H LYS 22 -8.474 1.273 0.372
148 HA LYS 22 HA LYS 22 -5.867 2.196 -0.386
149 HB2 LYS 22 1HB LYS 22 -8.224 2.392 -1.582
150 HB3 LYS 22 2HB LYS 22 -8.362 3.890 -0.659
151 HG2 LYS 22 1HG LYS 22 -6.277 4.729 -1.686
152 HG3 LYS 22 2HG LYS 22 -6.026 3.182 -2.496
153 HD2 LYS 22 1HD LYS 22 -6.880 4.809 -4.075
154 HD3 LYS 22 2HD LYS 22 -8.063 3.515 -3.842
155 HE2 LYS 22 1HE LYS 22 -9.365 4.958 -2.310
156 HE3 LYS 22 2HE LYS 22 -8.153 6.241 -2.464
157 HZ1 LYS 22 3HZ LYS 22 -8.701 6.377 -4.837
158 HZ2 LYS 22 1HZ LYS 22 -10.043 6.621 -3.943
159 HZ3 LYS 22 2HZ LYS 22 -9.816 5.192 -4.695
160 H GLY 23 H GLY 23 -8.147 3.342 2.081
161 HA2 GLY 23 1HA GLY 23 -6.747 5.755 2.825
162 HA3 GLY 23 2HA GLY 23 -7.895 4.849 3.819
163 H THR 24 H THR 24 -6.495 2.354 3.935
164 HA THR 24 HA THR 24 -4.516 2.853 5.983
165 HB THR 24 HB THR 24 -4.987 0.245 4.493
166 HG1 THR 24 1HG THR 24 -6.462 1.605 6.440
167 HG21 THR 24 3HG2 THR 24 -4.300 -0.780 6.592
168 HG22 THR 24 1HG2 THR 24 -4.116 0.819 7.356
169 HG23 THR 24 2HG2 THR 24 -3.032 0.331 6.040
170 H LEU 25 H LEU 25 -4.257 1.782 2.536
171 HA LEU 25 HA LEU 25 -1.403 1.707 2.452
172 HB2 LEU 25 1HB LEU 25 -2.725 0.648 0.754
173 HB3 LEU 25 2HB LEU 25 -3.580 2.141 0.396
174 HG LEU 25 HG LEU 25 -1.442 3.127 -0.498
175 HD11 LEU 25 1HD1 LEU 25 0.197 1.732 0.746
176 HD12 LEU 25 2HD1 LEU 25 0.438 1.605 -0.998
177 HD13 LEU 25 3HD1 LEU 25 -0.377 0.296 -0.129
178 HD21 LEU 25 3HD2 LEU 25 -1.470 1.960 -2.577
179 HD22 LEU 25 1HD2 LEU 25 -3.126 1.992 -1.937
180 HD23 LEU 25 2HD2 LEU 25 -2.145 0.507 -1.828
181 H LYS 26 H LYS 26 -3.685 4.485 1.806
182 HA LYS 26 HA LYS 26 -1.707 6.385 1.090
183 HB2 LYS 26 1HB LYS 26 -4.043 6.679 0.612
184 HB3 LYS 26 2HB LYS 26 -4.490 6.502 2.311
185 HG2 LYS 26 1HG LYS 26 -3.382 8.585 2.891
186 HG3 LYS 26 2HG LYS 26 -2.826 8.799 1.216
187 HD2 LYS 26 1HD LYS 26 -5.091 9.078 0.413
188 HD3 LYS 26 2HD LYS 26 -5.779 8.523 1.966
189 HE2 LYS 26 1HE LYS 26 -4.752 10.383 3.135
190 HE3 LYS 26 2HE LYS 26 -4.006 10.962 1.638
191 HZ1 LYS 26 3HZ LYS 26 -6.941 10.820 2.132
192 HZ2 LYS 26 1HZ LYS 26 -6.253 11.350 0.748
193 HZ3 LYS 26 2HZ LYS 26 -6.060 12.193 2.129
194 H SER 27 H SER 27 -3.080 5.581 4.301
195 HA SER 27 HA SER 27 -1.553 7.430 5.838
196 HB2 SER 27 1HB SER 27 -2.582 4.679 6.643
197 HB3 SER 27 2HB SER 27 -2.017 5.943 7.746
198 HG SER 27 HG SER 27 -4.289 5.984 6.033
199 H HIS 28 H HIS 28 -0.590 4.359 4.425
200 HA HIS 28 HA HIS 28 2.003 4.292 5.835
201 HB2 HIS 28 1HB HIS 28 0.944 2.187 5.379
202 HB3 HIS 28 2HB HIS 28 0.747 2.570 3.672
203 HD1 HIS 28 1HD HIS 28 3.592 1.757 6.158
204 HD2 HIS 28 2HD HIS 28 2.741 2.061 2.051
205 HE1 HIS 28 1HE HIS 28 5.645 0.869 4.958
206 H LYS 29 H LYS 29 0.838 5.046 2.504
207 HA LYS 29 HA LYS 29 3.418 5.579 1.395
208 HB2 LYS 29 1HB LYS 29 0.595 6.341 0.597
209 HB3 LYS 29 2HB LYS 29 2.000 6.980 -0.269
210 HG2 LYS 29 1HG LYS 29 2.840 4.660 -0.607
211 HG3 LYS 29 2HG LYS 29 1.345 4.025 0.097
212 HD2 LYS 29 1HD LYS 29 0.014 4.923 -1.711
213 HD3 LYS 29 2HD LYS 29 1.359 5.942 -2.271
214 HE2 LYS 29 1HE LYS 29 2.694 3.865 -2.713
215 HE3 LYS 29 2HE LYS 29 1.263 2.898 -2.359
216 HZ1 LYS 29 3HZ LYS 29 1.725 3.454 -4.759
217 HZ2 LYS 29 1HZ LYS 29 1.320 4.993 -4.462
218 HZ3 LYS 29 2HZ LYS 29 0.187 3.821 -4.278
219 H LEU 30 H LEU 30 1.320 7.754 3.239
220 HA LEU 30 HA LEU 30 2.796 10.161 2.838
221 HB2 LEU 30 1HB LEU 30 1.269 9.034 5.222
222 HB3 LEU 30 2HB LEU 30 1.948 10.657 5.230
223 HG LEU 30 HG LEU 30 -0.070 9.725 3.144
224 HD11 LEU 30 1HD1 LEU 30 -1.721 10.984 4.454
225 HD12 LEU 30 2HD1 LEU 30 -0.489 11.336 5.692
226 HD13 LEU 30 3HD1 LEU 30 -1.026 9.666 5.414
227 HD21 LEU 30 3HD2 LEU 30 1.268 11.640 2.402
228 HD22 LEU 30 1HD2 LEU 30 0.947 12.485 3.933
229 HD23 LEU 30 2HD2 LEU 30 -0.376 12.157 2.788
230 H LEU 31 H LEU 31 3.707 7.327 4.701
231 HA LEU 31 HA LEU 31 5.857 8.634 6.181
232 HB2 LEU 31 1HB LEU 31 5.527 5.671 5.606
233 HB3 LEU 31 2HB LEU 31 6.489 6.408 6.870
234 HG LEU 31 HG LEU 31 3.440 6.475 6.724
235 HD11 LEU 31 1HD1 LEU 31 5.316 4.918 8.548
236 HD12 LEU 31 2HD1 LEU 31 4.361 4.242 7.209
237 HD13 LEU 31 3HD1 LEU 31 3.538 4.929 8.619
238 HD21 LEU 31 3HD2 LEU 31 3.570 7.332 9.045
239 HD22 LEU 31 1HD2 LEU 31 4.295 8.463 7.896
240 HD23 LEU 31 2HD2 LEU 31 5.341 7.437 8.907
241 H HIS 32 H HIS 32 5.625 7.075 3.017
242 HA HIS 32 HA HIS 32 8.536 7.202 2.509
243 HB2 HIS 32 1HB HIS 32 6.163 6.651 0.678
244 HB3 HIS 32 2HB HIS 32 7.842 6.643 0.175
245 HD1 HIS 32 1HD HIS 32 9.420 4.672 1.443
246 HD2 HIS 32 2HD HIS 32 5.232 4.355 1.511
247 HE1 HIS 32 1HE HIS 32 8.921 2.226 1.912
248 H THR 33 H THR 33 5.590 8.868 1.359
249 HA THR 33 HA THR 33 7.110 10.973 0.023
250 HB THR 33 HB THR 33 4.094 10.775 0.232
251 HG1 THR 33 1HG THR 33 4.202 9.494 -1.613
252 HG21 THR 33 3HG2 THR 33 5.032 12.803 -0.900
253 HG22 THR 33 1HG2 THR 33 4.195 11.745 -2.042
254 HG23 THR 33 2HG2 THR 33 5.974 11.748 -1.973
255 H ALA 34 H ALA 34 7.742 11.144 2.631
256 HA ALA 34 HA ALA 34 6.030 12.756 4.253
257 HB1 ALA 34 1HB ALA 34 9.028 12.233 4.433
258 HB2 ALA 34 2HB ALA 34 7.995 12.853 5.739
259 HB3 ALA 34 3HB ALA 34 7.743 11.210 5.119
260 H ASP 35 H ASP 35 8.039 13.696 1.633
261 HA ASP 35 HA ASP 35 8.444 16.481 2.436
262 HB2 ASP 35 1HB ASP 35 9.513 16.691 0.287
263 HB3 ASP 35 2HB ASP 35 10.105 15.256 1.105
264 H GLY 36 H GLY 36 5.796 14.746 1.148
265 HA2 GLY 36 1HA GLY 36 3.695 15.398 0.483
266 HA3 GLY 36 2HA GLY 36 4.097 17.036 0.986