Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
603560 | 2nc5 RC | 26007 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 H1 LYS 1 -12.786 -2.437 1.971
2 H2 LYS 1 H2 LYS 1 -12.765 -2.321 3.599
3 H3 LYS 1 H3 LYS 1 -11.764 -3.373 2.849
4 HA LYS 1 HA LYS 1 -11.675 -0.434 2.637
5 HB2 LYS 1 HB2 LYS 1 -10.913 -1.195 4.842
6 HB3 LYS 1 HB3 LYS 1 -9.752 -2.291 4.089
7 HG2 LYS 1 HG2 LYS 1 -8.608 -0.272 3.048
8 HG3 LYS 1 HG3 LYS 1 -9.778 0.756 3.883
9 HD2 LYS 1 HD2 LYS 1 -7.767 0.776 5.162
10 HD3 LYS 1 HD3 LYS 1 -8.937 -0.191 6.073
11 HE2 LYS 1 HE2 LYS 1 -7.881 -2.275 5.164
12 HE3 LYS 1 HE3 LYS 1 -6.725 -1.284 4.259
13 HZ1 LYS 1 HZ1 LYS 1 -5.913 -0.423 6.394
14 HZ2 LYS 1 HZ2 LYS 1 -6.985 -1.337 7.221
15 HZ3 LYS 1 HZ3 LYS 1 -5.792 -2.053 6.369
16 H LEU 2 H LEU 2 -9.375 -3.166 2.066
17 HA LEU 2 HA LEU 2 -8.210 -1.703 -0.147
18 HB2 LEU 2 HB2 LEU 2 -7.060 -3.042 1.744
19 HB3 LEU 2 HB3 LEU 2 -7.545 -4.489 0.845
20 HG LEU 2 HG LEU 2 -6.241 -3.535 -1.142
21 HD11 LEU 2 HD11 LEU 2 -4.500 -1.861 -0.594
22 HD12 LEU 2 HD12 LEU 2 -6.104 -1.155 -0.398
23 HD13 LEU 2 HD13 LEU 2 -5.186 -1.660 1.037
24 HD21 LEU 2 HD21 LEU 2 -4.062 -4.203 -0.206
25 HD22 LEU 2 HD22 LEU 2 -4.718 -4.054 1.446
26 HD23 LEU 2 HD23 LEU 2 -5.352 -5.293 0.345
27 HA PRO 3 HA PRO 3 -10.726 -3.716 -3.216
28 HB2 PRO 3 HB2 PRO 3 -9.298 -3.221 -5.540
29 HB3 PRO 3 HB3 PRO 3 -10.276 -2.004 -4.659
30 HG2 PRO 3 HG2 PRO 3 -7.290 -2.491 -4.456
31 HG3 PRO 3 HG3 PRO 3 -8.148 -0.940 -4.654
32 HD2 PRO 3 HD2 PRO 3 -7.295 -1.786 -2.243
33 HD3 PRO 3 HD3 PRO 3 -8.876 -0.966 -2.432
34 HA PRO 4 HA PRO 4 -9.573 -7.857 -3.908
35 HB2 PRO 4 HB2 PRO 4 -10.320 -7.548 -6.822
36 HB3 PRO 4 HB3 PRO 4 -10.778 -8.846 -5.668
37 HG2 PRO 4 HG2 PRO 4 -12.529 -6.863 -6.216
38 HG3 PRO 4 HG3 PRO 4 -12.284 -7.378 -4.512
39 HD2 PRO 4 HD2 PRO 4 -11.088 -4.993 -5.949
40 HD3 PRO 4 HD3 PRO 4 -11.835 -5.087 -4.323
41 H GLY 5 H GLY 5 -7.853 -9.123 -4.352
42 HA2 GLY 5 HA2 GLY 5 -5.927 -9.937 -5.292
43 HA3 GLY 5 HA3 GLY 5 -6.014 -8.699 -6.561
44 H TRP 6 H TRP 6 -6.073 -6.577 -4.239
45 HA TRP 6 HA TRP 6 -3.165 -6.302 -4.027
46 HB2 TRP 6 HB2 TRP 6 -5.425 -4.566 -3.036
47 HB3 TRP 6 HB3 TRP 6 -3.723 -4.205 -2.797
48 HD1 TRP 6 HD1 TRP 6 -6.420 -4.199 -5.414
49 HE1 TRP 6 HE1 TRP 6 -5.642 -2.963 -7.532
50 HE3 TRP 6 HE3 TRP 6 -1.461 -3.795 -4.280
51 HZ2 TRP 6 HZ2 TRP 6 -3.102 -2.184 -8.704
52 HZ3 TRP 6 HZ3 TRP 6 0.145 -2.840 -5.952
53 HH2 TRP 6 HH2 TRP 6 -0.669 -2.056 -8.154
54 H GLU 7 H GLU 7 -1.911 -6.213 -2.212
55 HA GLU 7 HA GLU 7 -3.059 -6.611 0.474
56 HB2 GLU 7 HB2 GLU 7 -2.503 -8.883 -0.480
57 HB3 GLU 7 HB3 GLU 7 -0.816 -8.365 -0.621
58 HG2 GLU 7 HG2 GLU 7 -0.708 -8.028 1.825
59 HG3 GLU 7 HG3 GLU 7 -2.419 -8.435 1.974
60 H LYS 8 H LYS 8 -1.745 -5.645 2.103
61 HA LYS 8 HA LYS 8 0.184 -3.655 1.213
62 HB2 LYS 8 HB2 LYS 8 -0.803 -4.505 3.942
63 HB3 LYS 8 HB3 LYS 8 0.594 -3.424 3.756
64 HG2 LYS 8 HG2 LYS 8 -0.698 -1.891 2.362
65 HG3 LYS 8 HG3 LYS 8 -2.112 -2.960 2.453
66 HD2 LYS 8 HD2 LYS 8 -2.536 -1.195 3.959
67 HD3 LYS 8 HD3 LYS 8 -2.081 -2.571 4.985
68 HE2 LYS 8 HE2 LYS 8 0.256 -1.664 5.114
69 HE3 LYS 8 HE3 LYS 8 -0.227 -0.311 4.079
70 HZ1 LYS 8 HZ1 LYS 8 -1.790 0.373 5.814
71 HZ2 LYS 8 HZ2 LYS 8 -1.351 -0.880 6.771
72 HZ3 LYS 8 HZ3 LYS 8 -0.280 0.301 6.428
73 H ARG 9 H ARG 9 2.309 -3.508 1.529
74 HA ARG 9 HA ARG 9 3.926 -5.941 2.134
75 HB2 ARG 9 HB2 ARG 9 3.111 -5.670 -0.354
76 HB3 ARG 9 HB3 ARG 9 4.242 -4.332 -0.434
77 HG2 ARG 9 HG2 ARG 9 5.239 -6.294 -1.390
78 HG3 ARG 9 HG3 ARG 9 6.099 -5.948 0.127
79 HD2 ARG 9 HD2 ARG 9 4.779 -7.722 1.260
80 HD3 ARG 9 HD3 ARG 9 3.896 -8.037 -0.244
81 HE ARG 9 HE ARG 9 6.671 -8.787 0.440
82 HH11 ARG 9 HH11 ARG 9 4.330 -8.667 -2.179
83 HH12 ARG 9 HH12 ARG 9 5.210 -9.830 -3.124
84 HH21 ARG 9 HH21 ARG 9 7.735 -10.245 -0.831
85 HH22 ARG 9 HH22 ARG 9 7.078 -10.694 -2.381
86 H MET 10 H MET 10 6.326 -5.404 2.218
87 HA MET 10 HA MET 10 6.939 -2.580 2.767
88 HB2 MET 10 HB2 MET 10 5.780 -3.449 4.825
89 HB3 MET 10 HB3 MET 10 7.078 -4.648 4.993
90 HG2 MET 10 HG2 MET 10 8.719 -2.748 5.177
91 HG3 MET 10 HG3 MET 10 7.358 -1.620 5.050
92 HE1 MET 10 HE1 MET 10 8.424 -4.274 8.682
93 HE2 MET 10 HE2 MET 10 7.948 -5.011 7.138
94 HE3 MET 10 HE3 MET 10 9.427 -4.026 7.236
95 H PHE 11 H PHE 11 8.995 -2.063 2.546
96 HA PHE 11 HA PHE 11 10.973 -3.963 1.646
97 HB2 PHE 11 HB2 PHE 11 11.029 -0.998 2.183
98 HB3 PHE 11 HB3 PHE 11 12.469 -1.899 1.707
99 HD1 PHE 11 HD1 PHE 11 12.479 -3.219 -0.477
100 HD2 PHE 11 HD2 PHE 11 9.475 -0.280 0.493
101 HE1 PHE 11 HE1 PHE 11 11.896 -3.014 -2.884
102 HE2 PHE 11 HE2 PHE 11 8.903 -0.070 -1.912
103 HZ PHE 11 HZ PHE 11 10.109 -1.438 -3.604
104 H ALA 12 H ALA 12 13.154 -4.227 2.472
105 HA ALA 12 HA ALA 12 13.239 -5.111 5.166
106 HB1 ALA 12 HB1 ALA 12 15.649 -5.399 4.713
107 HB2 ALA 12 HB2 ALA 12 14.672 -5.957 3.343
108 HB3 ALA 12 HB3 ALA 12 15.510 -4.388 3.258
109 H ASN 13 H ASN 13 13.808 -1.901 3.889
110 HA ASN 13 HA ASN 13 15.093 -0.893 6.333
111 HB2 ASN 13 HB2 ASN 13 15.177 1.235 5.151
112 HB3 ASN 13 HB3 ASN 13 15.807 -0.082 4.154
113 HD21 ASN 13 HD21 ASN 13 15.528 1.325 2.367
114 H GLY 14 H GLY 14 11.923 -1.705 5.761
115 HA2 GLY 14 HA2 GLY 14 10.149 -1.373 7.220
116 HA3 GLY 14 HA3 GLY 14 10.954 0.029 7.943
117 H THR 15 H THR 15 10.658 0.041 4.441
118 HA THR 15 HA THR 15 8.669 2.239 4.574
119 HB THR 15 HB THR 15 10.333 1.131 2.280
120 HG1 THR 15 HG1 THR 15 11.660 2.101 3.572
121 HG21 THR 15 HG21 THR 15 8.368 2.199 1.358
122 HG22 THR 15 HG22 THR 15 8.588 3.612 2.424
123 HG23 THR 15 HG23 THR 15 9.771 3.251 1.139
124 H VAL 16 H VAL 16 6.555 1.928 4.137
125 HA VAL 16 HA VAL 16 5.626 -0.748 3.297
126 HB VAL 16 HB VAL 16 4.231 1.663 4.511
127 HG11 VAL 16 HG11 VAL 16 2.563 0.491 3.169
128 HG12 VAL 16 HG12 VAL 16 3.059 -1.072 3.865
129 HG13 VAL 16 HG13 VAL 16 2.288 0.168 4.879
130 HG21 VAL 16 HG21 VAL 16 5.720 0.424 6.067
131 HG22 VAL 16 HG22 VAL 16 4.017 0.214 6.494
132 HG23 VAL 16 HG23 VAL 16 4.882 -1.089 5.654
133 H TYR 17 H TYR 17 4.337 -1.161 1.587
134 HA TYR 17 HA TYR 17 3.365 0.891 -0.272
135 HB2 TYR 17 HB2 TYR 17 4.622 0.121 -2.166
136 HB3 TYR 17 HB3 TYR 17 5.764 0.560 -0.909
137 HD1 TYR 17 HD1 TYR 17 4.616 -2.040 -3.150
138 HD2 TYR 17 HD2 TYR 17 6.953 -1.281 0.398
139 HE1 TYR 17 HE1 TYR 17 5.836 -4.177 -3.503
140 HE2 TYR 17 HE2 TYR 17 8.202 -3.409 0.011
141 HH TYR 17 HH TYR 17 7.590 -5.479 -2.825
142 H TYR 18 H TYR 18 2.640 -0.673 -2.352
143 HA TYR 18 HA TYR 18 0.894 -2.783 -1.184
144 HB2 TYR 18 HB2 TYR 18 0.225 -0.641 -3.218
145 HB3 TYR 18 HB3 TYR 18 -0.810 -2.017 -2.815
146 HD1 TYR 18 HD1 TYR 18 0.656 1.131 -1.525
147 HD2 TYR 18 HD2 TYR 18 -2.017 -2.157 -0.719
148 HE1 TYR 18 HE1 TYR 18 -0.153 2.306 0.493
149 HE2 TYR 18 HE2 TYR 18 -2.911 -0.936 1.247
150 HH TYR 18 HH TYR 18 -1.599 2.234 2.277
151 H PHE 19 H PHE 19 0.501 -4.629 -2.239
152 HA PHE 19 HA PHE 19 1.798 -5.076 -4.866
153 HB2 PHE 19 HB2 PHE 19 3.419 -5.828 -3.380
154 HB3 PHE 19 HB3 PHE 19 2.218 -6.598 -2.333
155 HD1 PHE 19 HD1 PHE 19 1.335 -8.835 -2.776
156 HD2 PHE 19 HD2 PHE 19 4.102 -6.931 -5.489
157 HE1 PHE 19 HE1 PHE 19 1.789 -11.016 -3.855
158 HE2 PHE 19 HE2 PHE 19 4.506 -9.109 -6.602
159 HZ PHE 19 HZ PHE 19 3.353 -11.163 -5.781
160 H ASN 20 H ASN 20 0.778 -6.221 -6.366
161 HA ASN 20 HA ASN 20 -1.929 -7.252 -5.689
162 HB2 ASN 20 HB2 ASN 20 -1.619 -5.578 -7.514
163 HB3 ASN 20 HB3 ASN 20 -0.649 -6.769 -8.404
164 HD21 ASN 20 HD21 ASN 20 -4.448 -6.847 -9.173
165 HD22 ASN 20 HD22 ASN 20 -3.445 -5.446 -8.791
166 H HIS 21 H HIS 21 -1.958 -9.350 -5.082
167 HA HIS 21 HA HIS 21 0.264 -11.119 -5.768
168 HB2 HIS 21 HB2 HIS 21 -0.327 -12.329 -4.001
169 HB3 HIS 21 HB3 HIS 21 -1.234 -10.891 -3.546
170 HD2 HIS 21 HD2 HIS 21 -3.981 -10.998 -4.180
171 HE1 HIS 21 HE1 HIS 21 -4.165 -15.257 -4.163
172 HE2 HIS 21 HE2 HIS 21 -5.547 -13.120 -4.085
173 H ILE 22 H ILE 22 -2.681 -10.438 -7.360
174 HA ILE 22 HA ILE 22 -2.981 -13.036 -8.674
175 HB ILE 22 HB ILE 22 -4.152 -10.330 -9.424
176 HG12 ILE 22 HG12 ILE 22 -4.798 -10.783 -7.117
177 HG13 ILE 22 HG13 ILE 22 -6.173 -10.861 -8.218
178 HG21 ILE 22 HG21 ILE 22 -5.943 -11.705 -10.479
179 HG22 ILE 22 HG22 ILE 22 -4.357 -11.879 -11.235
180 HG23 ILE 22 HG23 ILE 22 -4.963 -13.156 -10.159
181 HD11 ILE 22 HD11 ILE 22 -6.157 -13.325 -8.112
182 HD12 ILE 22 HD12 ILE 22 -4.723 -13.281 -7.058
183 HD13 ILE 22 HD13 ILE 22 -6.268 -12.610 -6.496
184 H THR 23 H THR 23 -1.637 -9.832 -9.407
185 HA THR 23 HA THR 23 -0.702 -10.737 -12.078
186 HB THR 23 HB THR 23 -0.930 -8.554 -12.871
187 HG1 THR 23 HG1 THR 23 -1.699 -6.964 -11.230
188 HG21 THR 23 HG21 THR 23 -3.218 -7.949 -12.522
189 HG22 THR 23 HG22 THR 23 -3.143 -9.719 -12.460
190 HG23 THR 23 HG23 THR 23 -3.287 -8.780 -10.956
191 H ASN 24 H ASN 24 0.664 -10.040 -9.112
192 HA ASN 24 HA ASN 24 2.665 -9.605 -8.301
193 HB2 ASN 24 HB2 ASN 24 3.759 -10.429 -11.012
194 HB3 ASN 24 HB3 ASN 24 4.726 -10.159 -9.557
195 HD21 ASN 24 HD21 ASN 24 4.783 -11.735 -7.932
196 HD22 ASN 24 HD22 ASN 24 3.990 -13.299 -8.146
197 H ALA 25 H ALA 25 1.147 -7.446 -10.001
198 HA ALA 25 HA ALA 25 3.165 -5.419 -10.473
199 HB1 ALA 25 HB1 ALA 25 0.174 -5.145 -9.949
200 HB2 ALA 25 HB2 ALA 25 1.241 -3.910 -10.640
201 HB3 ALA 25 HB3 ALA 25 0.926 -5.405 -11.540
202 H SER 26 H SER 26 3.391 -3.407 -9.221
203 HA SER 26 HA SER 26 2.494 -3.374 -6.444
204 HB2 SER 26 HB2 SER 26 4.761 -3.101 -5.483
205 HB3 SER 26 HB3 SER 26 4.468 -4.713 -6.140
206 HG SER 26 HG SER 26 5.899 -2.613 -7.435
207 H GLN 27 H GLN 27 2.672 -1.387 -5.384
208 HA GLN 27 HA GLN 27 3.787 0.955 -6.754
209 HB2 GLN 27 HB2 GLN 27 1.713 2.129 -7.056
210 HB3 GLN 27 HB3 GLN 27 1.600 0.578 -7.894
211 HG2 GLN 27 HG2 GLN 27 0.237 -0.334 -6.024
212 HG3 GLN 27 HG3 GLN 27 0.364 1.207 -5.184
213 HE21 GLN 27 HE21 GLN 27 -1.591 2.223 -5.310
214 HE22 GLN 27 HE22 GLN 27 -2.561 2.338 -6.794
215 H PHE 28 H PHE 28 3.866 2.845 -5.401
216 HA PHE 28 HA PHE 28 3.781 2.264 -2.539
217 HB2 PHE 28 HB2 PHE 28 5.696 3.359 -3.095
218 HB3 PHE 28 HB3 PHE 28 4.874 4.499 -4.169
219 HD1 PHE 28 HD1 PHE 28 3.764 6.502 -3.347
220 HD2 PHE 28 HD2 PHE 28 5.696 3.755 -0.634
221 HE1 PHE 28 HE1 PHE 28 3.637 8.198 -1.541
222 HE2 PHE 28 HE2 PHE 28 5.582 5.462 1.168
223 HZ PHE 28 HZ PHE 28 4.552 7.685 0.720
224 H GLU 29 H GLU 29 1.814 4.326 -4.611
225 HA GLU 29 HA GLU 29 0.355 5.497 -2.418
226 HB2 GLU 29 HB2 GLU 29 0.536 6.723 -4.439
227 HB3 GLU 29 HB3 GLU 29 -0.023 5.367 -5.409
228 HG2 GLU 29 HG2 GLU 29 -1.690 7.065 -5.376
229 HG3 GLU 29 HG3 GLU 29 -2.302 5.622 -4.593
230 H ARG 30 H ARG 30 -1.655 5.066 -1.589
231 HA ARG 30 HA ARG 30 -2.396 2.334 -1.371
232 HB2 ARG 30 HB2 ARG 30 -2.660 3.841 0.424
233 HB3 ARG 30 HB3 ARG 30 -3.750 4.891 -0.473
234 HG2 ARG 30 HG2 ARG 30 -4.486 1.990 0.052
235 HG3 ARG 30 HG3 ARG 30 -4.669 3.206 1.325
236 HD2 ARG 30 HD2 ARG 30 -6.508 4.114 0.425
237 HD3 ARG 30 HD3 ARG 30 -5.817 4.184 -1.181
238 HE ARG 30 HE ARG 30 -6.605 2.017 -1.707
239 HH11 ARG 30 HH11 ARG 30 -7.759 2.890 1.513
240 HH12 ARG 30 HH12 ARG 30 -9.162 1.863 1.332
241 HH21 ARG 30 HH21 ARG 30 -9.419 0.611 -0.463
242 HH22 ARG 30 HH22 ARG 30 -8.331 0.843 -1.836
243 HA PRO 31 HA PRO 31 -4.522 2.016 -5.208
244 HB2 PRO 31 HB2 PRO 31 -5.421 -0.576 -5.109
245 HB3 PRO 31 HB3 PRO 31 -3.701 -0.108 -5.267
246 HG2 PRO 31 HG2 PRO 31 -5.168 -0.856 -2.718
247 HG3 PRO 31 HG3 PRO 31 -3.602 -1.485 -3.326
248 HD2 PRO 31 HD2 PRO 31 -3.723 0.513 -1.511
249 HD3 PRO 31 HD3 PRO 31 -2.498 0.531 -2.821
250 H SER 32 H SER 32 -6.396 2.767 -5.943
251 HA SER 32 HA SER 32 -8.929 2.512 -4.444
252 HB2 SER 32 HB2 SER 32 -8.284 3.766 -7.141
253 HB3 SER 32 HB3 SER 32 -9.848 3.857 -6.315
254 HG SER 32 HG SER 32 -8.896 5.017 -4.658
255 H GLY 33 H GLY 33 -7.324 0.848 -7.062
256 HA2 GLY 33 HA2 GLY 33 -9.011 -1.398 -7.186
257 HA3 GLY 33 HA3 GLY 33 -9.592 -0.284 -8.425
258 H1B XYP 101 H1 XYP 34 12.805 2.184 1.664
259 H2B XYP 101 H2 XYP 34 15.494 2.639 0.252
260 H3B XYP 101 H3 XYP 34 12.777 3.934 -0.274
261 H4B XYP 101 H4 XYP 34 14.290 1.941 -2.030
262 H5B1 XYP 101 H5E XYP 34 12.545 0.310 -1.484
263 H5B2 XYP 101 H5A XYP 34 11.709 1.483 -0.446
264 HO2B XYP 101 H2O XYP 34 15.012 4.844 1.005
265 HO3B XYP 101 H3O XYP 34 15.285 4.115 -1.714
266 HO4B XYP 101 H4O XYP 34 12.870 3.621 -2.961
Start of MODEL 2
1 H1 LYS 1 H1 LYS 1 -11.563 -3.554 3.120
2 H2 LYS 1 H2 LYS 1 -12.451 -2.330 2.487
3 H3 LYS 1 H3 LYS 1 -12.379 -2.535 4.105
4 HA LYS 1 HA LYS 1 -11.038 -0.673 3.457
5 HB2 LYS 1 HB2 LYS 1 -10.357 -1.949 5.445
6 HB3 LYS 1 HB3 LYS 1 -9.388 -3.030 4.445
7 HG2 LYS 1 HG2 LYS 1 -8.008 -0.980 3.737
8 HG3 LYS 1 HG3 LYS 1 -8.961 -0.041 4.889
9 HD2 LYS 1 HD2 LYS 1 -6.922 -0.594 5.974
10 HD3 LYS 1 HD3 LYS 1 -8.153 -1.637 6.703
11 HE2 LYS 1 HE2 LYS 1 -7.421 -3.497 5.176
12 HE3 LYS 1 HE3 LYS 1 -6.187 -2.428 4.489
13 HZ1 LYS 1 HZ1 LYS 1 -6.331 -3.283 7.335
14 HZ2 LYS 1 HZ2 LYS 1 -5.271 -3.851 6.233
15 HZ3 LYS 1 HZ3 LYS 1 -5.189 -2.291 6.717
16 H LEU 2 H LEU 2 -9.110 -3.506 2.341
17 HA LEU 2 HA LEU 2 -7.931 -1.842 0.245
18 HB2 LEU 2 HB2 LEU 2 -6.717 -3.292 1.984
19 HB3 LEU 2 HB3 LEU 2 -7.303 -4.693 1.074
20 HG LEU 2 HG LEU 2 -6.067 -3.746 -0.950
21 HD11 LEU 2 HD11 LEU 2 -5.808 -1.390 -0.160
22 HD12 LEU 2 HD12 LEU 2 -4.832 -1.960 1.205
23 HD13 LEU 2 HD13 LEU 2 -4.245 -2.140 -0.470
24 HD21 LEU 2 HD21 LEU 2 -4.444 -4.372 1.553
25 HD22 LEU 2 HD22 LEU 2 -5.163 -5.563 0.450
26 HD23 LEU 2 HD23 LEU 2 -3.864 -4.497 -0.128
27 HA PRO 3 HA PRO 3 -10.578 -3.593 -2.875
28 HB2 PRO 3 HB2 PRO 3 -9.147 -3.106 -5.200
29 HB3 PRO 3 HB3 PRO 3 -10.051 -1.867 -4.273
30 HG2 PRO 3 HG2 PRO 3 -7.094 -2.521 -4.105
31 HG3 PRO 3 HG3 PRO 3 -7.863 -0.920 -4.261
32 HD2 PRO 3 HD2 PRO 3 -7.044 -1.869 -1.889
33 HD3 PRO 3 HD3 PRO 3 -8.586 -0.969 -2.035
34 HA PRO 4 HA PRO 4 -9.614 -7.773 -3.694
35 HB2 PRO 4 HB2 PRO 4 -10.478 -7.360 -6.562
36 HB3 PRO 4 HB3 PRO 4 -10.940 -8.664 -5.419
37 HG2 PRO 4 HG2 PRO 4 -12.627 -6.598 -5.850
38 HG3 PRO 4 HG3 PRO 4 -12.336 -7.165 -4.170
39 HD2 PRO 4 HD2 PRO 4 -11.096 -4.795 -5.598
40 HD3 PRO 4 HD3 PRO 4 -11.786 -4.900 -3.947
41 H GLY 5 H GLY 5 -7.955 -9.082 -4.255
42 HA2 GLY 5 HA2 GLY 5 -6.089 -9.917 -5.307
43 HA3 GLY 5 HA3 GLY 5 -6.204 -8.638 -6.532
44 H TRP 6 H TRP 6 -6.118 -6.626 -4.083
45 HA TRP 6 HA TRP 6 -3.198 -6.388 -4.066
46 HB2 TRP 6 HB2 TRP 6 -5.373 -4.639 -2.932
47 HB3 TRP 6 HB3 TRP 6 -3.658 -4.310 -2.748
48 HD1 TRP 6 HD1 TRP 6 -6.446 -4.206 -5.273
49 HE1 TRP 6 HE1 TRP 6 -5.716 -2.942 -7.389
50 HE3 TRP 6 HE3 TRP 6 -1.449 -3.892 -4.288
51 HZ2 TRP 6 HZ2 TRP 6 -3.201 -2.182 -8.629
52 HZ3 TRP 6 HZ3 TRP 6 0.118 -2.923 -5.989
53 HH2 TRP 6 HH2 TRP 6 -0.752 -2.091 -8.152
54 H GLU 7 H GLU 7 -1.854 -6.243 -2.305
55 HA GLU 7 HA GLU 7 -2.792 -6.970 0.413
56 HB2 GLU 7 HB2 GLU 7 -1.975 -9.037 -0.925
57 HB3 GLU 7 HB3 GLU 7 -0.389 -8.254 -0.934
58 HG2 GLU 7 HG2 GLU 7 -0.615 -8.178 1.651
59 HG3 GLU 7 HG3 GLU 7 -2.017 -9.222 1.457
60 H LYS 8 H LYS 8 -1.540 -5.945 2.038
61 HA LYS 8 HA LYS 8 0.324 -3.830 1.245
62 HB2 LYS 8 HB2 LYS 8 -0.655 -4.855 3.920
63 HB3 LYS 8 HB3 LYS 8 0.737 -3.763 3.806
64 HG2 LYS 8 HG2 LYS 8 -0.573 -2.139 2.524
65 HG3 LYS 8 HG3 LYS 8 -1.984 -3.214 2.580
66 HD2 LYS 8 HD2 LYS 8 -2.363 -1.565 4.244
67 HD3 LYS 8 HD3 LYS 8 -1.854 -3.007 5.144
68 HE2 LYS 8 HE2 LYS 8 0.488 -2.088 5.200
69 HE3 LYS 8 HE3 LYS 8 -0.076 -0.657 4.325
70 HZ1 LYS 8 HZ1 LYS 8 0.018 -0.262 6.721
71 HZ2 LYS 8 HZ2 LYS 8 -1.531 -0.161 6.219
72 HZ3 LYS 8 HZ3 LYS 8 -1.013 -1.490 7.021
73 H ARG 9 H ARG 9 2.426 -3.682 1.529
74 HA ARG 9 HA ARG 9 4.102 -5.968 2.442
75 HB2 ARG 9 HB2 ARG 9 4.428 -4.527 -0.216
76 HB3 ARG 9 HB3 ARG 9 5.617 -5.646 0.455
77 HG2 ARG 9 HG2 ARG 9 2.831 -6.331 -0.412
78 HG3 ARG 9 HG3 ARG 9 4.314 -6.667 -1.321
79 HD2 ARG 9 HD2 ARG 9 5.112 -8.179 0.444
80 HD3 ARG 9 HD3 ARG 9 3.678 -7.835 1.423
81 HE ARG 9 HE ARG 9 2.347 -9.183 0.072
82 HH11 ARG 9 HH11 ARG 9 5.197 -10.543 -2.332
83 HH12 ARG 9 HH12 ARG 9 5.525 -9.077 -1.443
84 HH21 ARG 9 HH21 ARG 9 2.029 -10.909 -1.002
85 HH22 ARG 9 HH22 ARG 9 3.242 -11.590 -2.095
86 H MET 10 H MET 10 6.392 -5.338 2.394
87 HA MET 10 HA MET 10 6.978 -2.550 3.156
88 HB2 MET 10 HB2 MET 10 7.209 -4.776 5.229
89 HB3 MET 10 HB3 MET 10 7.798 -3.118 5.394
90 HG2 MET 10 HG2 MET 10 5.895 -2.993 6.610
91 HG3 MET 10 HG3 MET 10 5.339 -2.399 5.044
92 HE1 MET 10 HE1 MET 10 4.234 -6.453 7.045
93 HE2 MET 10 HE2 MET 10 5.889 -6.150 6.486
94 HE3 MET 10 HE3 MET 10 5.195 -5.158 7.790
95 H PHE 11 H PHE 11 9.024 -2.001 2.939
96 HA PHE 11 HA PHE 11 11.077 -3.873 2.050
97 HB2 PHE 11 HB2 PHE 11 11.004 -0.891 2.474
98 HB3 PHE 11 HB3 PHE 11 12.495 -1.749 2.082
99 HD1 PHE 11 HD1 PHE 11 9.466 -0.309 0.722
100 HD2 PHE 11 HD2 PHE 11 12.669 -3.086 -0.068
101 HE1 PHE 11 HE1 PHE 11 8.993 -0.162 -1.711
102 HE2 PHE 11 HE2 PHE 11 12.185 -2.946 -2.502
103 HZ PHE 11 HZ PHE 11 10.349 -1.482 -3.326
104 H ALA 12 H ALA 12 13.211 -4.078 2.980
105 HA ALA 12 HA ALA 12 13.234 -4.716 5.754
106 HB1 ALA 12 HB1 ALA 12 14.701 -5.737 4.050
107 HB2 ALA 12 HB2 ALA 12 15.541 -4.183 3.828
108 HB3 ALA 12 HB3 ALA 12 15.651 -5.045 5.378
109 H ASN 13 H ASN 13 13.779 -1.646 4.184
110 HA ASN 13 HA ASN 13 15.105 -0.382 6.473
111 HB2 ASN 13 HB2 ASN 13 15.106 1.610 5.089
112 HB3 ASN 13 HB3 ASN 13 15.662 0.216 4.151
113 HD21 ASN 13 HD21 ASN 13 15.199 1.704 2.350
114 H GLY 14 H GLY 14 11.896 -1.266 6.031
115 HA2 GLY 14 HA2 GLY 14 10.144 -0.823 7.507
116 HA3 GLY 14 HA3 GLY 14 10.945 0.649 8.077
117 H THR 15 H THR 15 10.633 0.351 4.602
118 HA THR 15 HA THR 15 8.573 2.495 4.525
119 HB THR 15 HB THR 15 10.307 1.209 2.387
120 HG1 THR 15 HG1 THR 15 11.477 2.377 3.748
121 HG21 THR 15 HG21 THR 15 8.534 3.656 2.151
122 HG22 THR 15 HG22 THR 15 9.733 3.094 0.953
123 HG23 THR 15 HG23 THR 15 8.325 2.098 1.305
124 H VAL 16 H VAL 16 6.491 2.162 3.851
125 HA VAL 16 HA VAL 16 5.592 -0.604 3.371
126 HB VAL 16 HB VAL 16 4.026 1.943 3.906
127 HG11 VAL 16 HG11 VAL 16 3.160 -0.970 4.015
128 HG12 VAL 16 HG12 VAL 16 2.192 0.423 4.553
129 HG13 VAL 16 HG13 VAL 16 2.606 0.258 2.849
130 HG21 VAL 16 HG21 VAL 16 4.860 -0.267 5.832
131 HG22 VAL 16 HG22 VAL 16 5.433 1.414 5.853
132 HG23 VAL 16 HG23 VAL 16 3.743 1.062 6.205
133 H TYR 17 H TYR 17 4.431 -1.290 1.600
134 HA TYR 17 HA TYR 17 3.605 0.564 -0.513
135 HB2 TYR 17 HB2 TYR 17 4.789 -0.505 -2.316
136 HB3 TYR 17 HB3 TYR 17 5.940 0.099 -1.136
137 HD1 TYR 17 HD1 TYR 17 7.220 -1.487 0.318
138 HD2 TYR 17 HD2 TYR 17 4.641 -2.884 -2.853
139 HE1 TYR 17 HE1 TYR 17 8.504 -3.616 0.198
140 HE2 TYR 17 HE2 TYR 17 5.937 -4.997 -2.979
141 HH TYR 17 HH TYR 17 8.762 -5.609 -0.871
142 H TYR 18 H TYR 18 2.740 -0.974 -2.425
143 HA TYR 18 HA TYR 18 1.002 -3.068 -1.214
144 HB2 TYR 18 HB2 TYR 18 0.249 -0.881 -3.178
145 HB3 TYR 18 HB3 TYR 18 -0.792 -2.222 -2.681
146 HD1 TYR 18 HD1 TYR 18 -1.822 -2.306 -0.475
147 HD2 TYR 18 HD2 TYR 18 0.788 0.942 -1.593
148 HE1 TYR 18 HE1 TYR 18 -2.621 -0.984 1.470
149 HE2 TYR 18 HE2 TYR 18 0.053 2.225 0.413
150 HH TYR 18 HH TYR 18 -2.330 0.902 2.730
151 H PHE 19 H PHE 19 0.533 -4.847 -2.379
152 HA PHE 19 HA PHE 19 1.720 -5.168 -5.076
153 HB2 PHE 19 HB2 PHE 19 3.401 -6.018 -3.711
154 HB3 PHE 19 HB3 PHE 19 2.233 -6.825 -2.652
155 HD1 PHE 19 HD1 PHE 19 4.012 -7.057 -5.874
156 HD2 PHE 19 HD2 PHE 19 1.282 -9.000 -3.158
157 HE1 PHE 19 HE1 PHE 19 4.328 -9.194 -7.089
158 HE2 PHE 19 HE2 PHE 19 1.635 -11.145 -4.349
159 HZ PHE 19 HZ PHE 19 3.141 -11.248 -6.327
160 H ASN 20 H ASN 20 0.642 -6.264 -6.583
161 HA ASN 20 HA ASN 20 -2.060 -7.267 -5.844
162 HB2 ASN 20 HB2 ASN 20 -1.789 -5.521 -7.602
163 HB3 ASN 20 HB3 ASN 20 -0.872 -6.683 -8.581
164 HD21 ASN 20 HD21 ASN 20 -3.620 -5.298 -8.870
165 HD22 ASN 20 HD22 ASN 20 -4.677 -6.659 -9.256
166 H HIS 21 H HIS 21 -2.082 -9.386 -5.302
167 HA HIS 21 HA HIS 21 0.065 -11.161 -6.181
168 HB2 HIS 21 HB2 HIS 21 -0.452 -12.439 -4.438
169 HB3 HIS 21 HB3 HIS 21 -1.302 -11.006 -3.872
170 HD2 HIS 21 HD2 HIS 21 -4.082 -11.030 -4.387
171 HE1 HIS 21 HE1 HIS 21 -4.359 -15.282 -4.505
172 HE2 HIS 21 HE2 HIS 21 -5.688 -13.121 -4.295
173 H ILE 22 H ILE 22 -2.919 -10.355 -7.613
174 HA ILE 22 HA ILE 22 -3.339 -12.895 -9.005
175 HB ILE 22 HB ILE 22 -4.457 -10.134 -9.628
176 HG12 ILE 22 HG12 ILE 22 -5.037 -10.623 -7.314
177 HG13 ILE 22 HG13 ILE 22 -6.453 -10.656 -8.365
178 HG21 ILE 22 HG21 ILE 22 -4.767 -11.627 -11.470
179 HG22 ILE 22 HG22 ILE 22 -5.379 -12.914 -10.409
180 HG23 ILE 22 HG23 ILE 22 -6.322 -11.424 -10.657
181 HD11 ILE 22 HD11 ILE 22 -6.472 -13.123 -8.309
182 HD12 ILE 22 HD12 ILE 22 -5.000 -13.123 -7.307
183 HD13 ILE 22 HD13 ILE 22 -6.513 -12.440 -6.675
184 H THR 23 H THR 23 -1.927 -9.705 -9.669
185 HA THR 23 HA THR 23 -1.118 -10.528 -12.405
186 HB THR 23 HB THR 23 -1.274 -8.296 -13.086
187 HG1 THR 23 HG1 THR 23 -1.938 -6.768 -11.342
188 HG21 THR 23 HG21 THR 23 -3.584 -8.537 -11.116
189 HG22 THR 23 HG22 THR 23 -3.527 -7.627 -12.638
190 HG23 THR 23 HG23 THR 23 -3.516 -9.398 -12.671
191 H ASN 24 H ASN 24 0.361 -9.997 -9.455
192 HA ASN 24 HA ASN 24 2.394 -9.690 -8.681
193 HB2 ASN 24 HB2 ASN 24 3.437 -10.368 -11.448
194 HB3 ASN 24 HB3 ASN 24 4.392 -10.302 -9.962
195 HD21 ASN 24 HD21 ASN 24 2.926 -12.459 -11.984
196 HD22 ASN 24 HD22 ASN 24 2.665 -13.752 -10.808
197 H ALA 25 H ALA 25 0.919 -7.397 -10.229
198 HA ALA 25 HA ALA 25 3.006 -5.433 -10.678
199 HB1 ALA 25 HB1 ALA 25 0.746 -5.283 -11.685
200 HB2 ALA 25 HB2 ALA 25 0.043 -5.062 -10.065
201 HB3 ALA 25 HB3 ALA 25 1.143 -3.842 -10.731
202 H SER 26 H SER 26 3.358 -3.491 -9.347
203 HA SER 26 HA SER 26 2.487 -3.516 -6.569
204 HB2 SER 26 HB2 SER 26 4.727 -3.359 -5.573
205 HB3 SER 26 HB3 SER 26 4.428 -4.934 -6.308
206 HG SER 26 HG SER 26 5.672 -4.326 -8.072
207 H GLN 27 H GLN 27 2.753 -1.575 -5.451
208 HA GLN 27 HA GLN 27 3.882 0.774 -6.790
209 HB2 GLN 27 HB2 GLN 27 1.823 1.994 -7.019
210 HB3 GLN 27 HB3 GLN 27 1.679 0.473 -7.903
211 HG2 GLN 27 HG2 GLN 27 0.328 -0.480 -6.045
212 HG3 GLN 27 HG3 GLN 27 0.480 1.035 -5.164
213 HE21 GLN 27 HE21 GLN 27 -1.458 2.090 -5.252
214 HE22 GLN 27 HE22 GLN 27 -2.448 2.242 -6.718
215 H PHE 28 H PHE 28 4.081 2.597 -5.417
216 HA PHE 28 HA PHE 28 4.018 2.021 -2.561
217 HB2 PHE 28 HB2 PHE 28 5.929 3.111 -3.162
218 HB3 PHE 28 HB3 PHE 28 5.089 4.249 -4.221
219 HD1 PHE 28 HD1 PHE 28 6.023 3.532 -0.719
220 HD2 PHE 28 HD2 PHE 28 3.982 6.253 -3.374
221 HE1 PHE 28 HE1 PHE 28 5.969 5.248 1.076
222 HE2 PHE 28 HE2 PHE 28 3.916 7.960 -1.575
223 HZ PHE 28 HZ PHE 28 4.916 7.464 0.653
224 H GLU 29 H GLU 29 2.035 4.075 -4.622
225 HA GLU 29 HA GLU 29 0.628 5.304 -2.431
226 HB2 GLU 29 HB2 GLU 29 0.806 6.497 -4.469
227 HB3 GLU 29 HB3 GLU 29 0.207 5.141 -5.414
228 HG2 GLU 29 HG2 GLU 29 -1.425 6.872 -5.381
229 HG3 GLU 29 HG3 GLU 29 -2.056 5.453 -4.566
230 H ARG 30 H ARG 30 -1.359 4.943 -1.580
231 HA ARG 30 HA ARG 30 -2.178 2.246 -1.237
232 HB2 ARG 30 HB2 ARG 30 -2.354 3.721 0.548
233 HB3 ARG 30 HB3 ARG 30 -3.205 4.937 -0.388
234 HG2 ARG 30 HG2 ARG 30 -4.550 3.845 1.348
235 HG3 ARG 30 HG3 ARG 30 -5.259 3.801 -0.276
236 HD2 ARG 30 HD2 ARG 30 -3.821 1.358 0.070
237 HD3 ARG 30 HD3 ARG 30 -4.635 1.642 1.591
238 HE ARG 30 HE ARG 30 -5.910 1.338 -1.106
239 HH11 ARG 30 HH11 ARG 30 -6.493 1.491 2.371
240 HH12 ARG 30 HH12 ARG 30 -8.173 1.067 2.139
241 HH21 ARG 30 HH21 ARG 30 -7.963 0.917 -1.271
242 HH22 ARG 30 HH22 ARG 30 -8.949 0.580 0.158
243 HA PRO 31 HA PRO 31 -4.483 1.994 -5.047
244 HB2 PRO 31 HB2 PRO 31 -5.287 -0.645 -4.942
245 HB3 PRO 31 HB3 PRO 31 -3.617 -0.116 -5.313
246 HG2 PRO 31 HG2 PRO 31 -4.724 -0.968 -2.605
247 HG3 PRO 31 HG3 PRO 31 -3.236 -1.542 -3.432
248 HD2 PRO 31 HD2 PRO 31 -3.123 0.371 -1.580
249 HD3 PRO 31 HD3 PRO 31 -2.139 0.519 -3.066
250 H SER 32 H SER 32 -6.522 2.235 -5.780
251 HA SER 32 HA SER 32 -8.834 1.896 -3.917
252 HB2 SER 32 HB2 SER 32 -9.942 3.595 -5.291
253 HB3 SER 32 HB3 SER 32 -8.422 4.189 -4.602
254 HG SER 32 HG SER 32 -8.637 4.721 -6.821
255 H GLY 33 H GLY 33 -7.467 0.520 -6.740
256 HA2 GLY 33 HA2 GLY 33 -9.318 -1.558 -7.055
257 HA3 GLY 33 HA3 GLY 33 -9.833 -0.298 -8.175
258 H1B XYP 101 H1 XYP 34 12.294 1.833 1.658
259 H2B XYP 101 H2 XYP 34 14.594 3.650 0.769
260 H3B XYP 101 H3 XYP 34 11.640 3.837 0.018
261 H4B XYP 101 H4 XYP 34 13.959 2.926 -1.755
262 H5B1 XYP 101 H5E XYP 34 12.872 0.688 -1.710
263 H5B2 XYP 101 H5A XYP 34 11.654 1.292 -0.573
264 HO2B XYP 101 H2O XYP 34 12.291 3.987 2.444
265 HO3B XYP 101 H3O XYP 34 12.962 5.793 0.026
266 HO4B XYP 101 H4O XYP 34 12.118 4.094 -2.665
Start of MODEL 3
1 H1 LYS 1 H1 LYS 1 -12.777 -2.417 3.666
2 H2 LYS 1 H2 LYS 1 -12.009 -3.459 2.667
3 H3 LYS 1 H3 LYS 1 -12.734 -2.120 2.060
4 HA LYS 1 HA LYS 1 -11.228 -0.672 3.193
5 HB2 LYS 1 HB2 LYS 1 -10.767 -1.938 5.160
6 HB3 LYS 1 HB3 LYS 1 -10.045 -3.255 4.247
7 HG2 LYS 1 HG2 LYS 1 -8.360 -1.949 5.414
8 HG3 LYS 1 HG3 LYS 1 -8.103 -1.887 3.678
9 HD2 LYS 1 HD2 LYS 1 -9.201 0.386 3.632
10 HD3 LYS 1 HD3 LYS 1 -9.332 0.324 5.393
11 HE2 LYS 1 HE2 LYS 1 -6.725 0.126 3.802
12 HE3 LYS 1 HE3 LYS 1 -7.357 1.619 4.507
13 HZ1 LYS 1 HZ1 LYS 1 -7.203 0.580 6.704
14 HZ2 LYS 1 HZ2 LYS 1 -6.578 -0.788 6.061
15 HZ3 LYS 1 HZ3 LYS 1 -5.743 0.613 5.981
16 H LEU 2 H LEU 2 -9.400 -3.565 2.046
17 HA LEU 2 HA LEU 2 -8.162 -1.852 0.010
18 HB2 LEU 2 HB2 LEU 2 -6.976 -3.257 1.815
19 HB3 LEU 2 HB3 LEU 2 -7.448 -4.669 0.858
20 HG LEU 2 HG LEU 2 -6.172 -3.620 -1.092
21 HD11 LEU 2 HD11 LEU 2 -6.048 -1.266 -0.279
22 HD12 LEU 2 HD12 LEU 2 -5.142 -1.804 1.146
23 HD13 LEU 2 HD13 LEU 2 -4.434 -1.957 -0.479
24 HD21 LEU 2 HD21 LEU 2 -4.643 -4.213 1.476
25 HD22 LEU 2 HD22 LEU 2 -5.266 -5.419 0.336
26 HD23 LEU 2 HD23 LEU 2 -3.982 -4.303 -0.179
27 HA PRO 3 HA PRO 3 -10.666 -3.718 -3.159
28 HB2 PRO 3 HB2 PRO 3 -9.227 -3.105 -5.454
29 HB3 PRO 3 HB3 PRO 3 -10.238 -1.950 -4.530
30 HG2 PRO 3 HG2 PRO 3 -7.244 -2.373 -4.337
31 HG3 PRO 3 HG3 PRO 3 -8.143 -0.836 -4.451
32 HD2 PRO 3 HD2 PRO 3 -7.264 -1.795 -2.090
33 HD3 PRO 3 HD3 PRO 3 -8.863 -0.995 -2.229
34 HA PRO 4 HA PRO 4 -9.545 -7.804 -3.998
35 HB2 PRO 4 HB2 PRO 4 -10.234 -7.419 -6.917
36 HB3 PRO 4 HB3 PRO 4 -10.731 -8.736 -5.803
37 HG2 PRO 4 HG2 PRO 4 -12.443 -6.716 -6.334
38 HG3 PRO 4 HG3 PRO 4 -12.234 -7.273 -4.637
39 HD2 PRO 4 HD2 PRO 4 -10.979 -4.875 -6.002
40 HD3 PRO 4 HD3 PRO 4 -11.756 -4.992 -4.392
41 H GLY 5 H GLY 5 -7.841 -9.077 -4.419
42 HA2 GLY 5 HA2 GLY 5 -5.903 -9.918 -5.328
43 HA3 GLY 5 HA3 GLY 5 -5.941 -8.669 -6.588
44 H TRP 6 H TRP 6 -6.034 -6.548 -4.280
45 HA TRP 6 HA TRP 6 -3.147 -6.259 -4.058
46 HB2 TRP 6 HB2 TRP 6 -5.421 -4.587 -3.005
47 HB3 TRP 6 HB3 TRP 6 -3.725 -4.198 -2.770
48 HD1 TRP 6 HD1 TRP 6 -6.455 -4.127 -5.347
49 HE1 TRP 6 HE1 TRP 6 -5.706 -2.800 -7.417
50 HE3 TRP 6 HE3 TRP 6 -1.467 -3.838 -4.306
51 HZ2 TRP 6 HZ2 TRP 6 -3.177 -2.049 -8.634
52 HZ3 TRP 6 HZ3 TRP 6 0.119 -2.864 -5.983
53 HH2 TRP 6 HH2 TRP 6 -0.728 -1.990 -8.140
54 H GLU 7 H GLU 7 -1.877 -6.110 -2.267
55 HA GLU 7 HA GLU 7 -2.870 -6.762 0.422
56 HB2 GLU 7 HB2 GLU 7 -2.354 -8.966 -0.501
57 HB3 GLU 7 HB3 GLU 7 -0.859 -8.377 -1.191
58 HG2 GLU 7 HG2 GLU 7 -0.396 -9.818 0.659
59 HG3 GLU 7 HG3 GLU 7 0.197 -8.201 0.973
60 H LYS 8 H LYS 8 -1.587 -5.903 2.074
61 HA LYS 8 HA LYS 8 0.321 -3.812 1.305
62 HB2 LYS 8 HB2 LYS 8 -0.828 -4.716 3.949
63 HB3 LYS 8 HB3 LYS 8 0.602 -3.667 3.889
64 HG2 LYS 8 HG2 LYS 8 -0.566 -2.058 2.464
65 HG3 LYS 8 HG3 LYS 8 -2.007 -3.094 2.459
66 HD2 LYS 8 HD2 LYS 8 -2.454 -1.362 4.020
67 HD3 LYS 8 HD3 LYS 8 -2.062 -2.780 5.013
68 HE2 LYS 8 HE2 LYS 8 0.291 -1.926 5.227
69 HE3 LYS 8 HE3 LYS 8 -0.144 -0.528 4.232
70 HZ1 LYS 8 HZ1 LYS 8 -0.240 -0.007 6.605
71 HZ2 LYS 8 HZ2 LYS 8 -1.732 0.123 5.955
72 HZ3 LYS 8 HZ3 LYS 8 -1.346 -1.176 6.872
73 H ARG 9 H ARG 9 2.397 -3.743 1.449
74 HA ARG 9 HA ARG 9 4.007 -5.995 2.600
75 HB2 ARG 9 HB2 ARG 9 4.709 -4.537 0.037
76 HB3 ARG 9 HB3 ARG 9 5.595 -5.877 0.754
77 HG2 ARG 9 HG2 ARG 9 2.933 -5.922 -0.593
78 HG3 ARG 9 HG3 ARG 9 4.449 -6.604 -1.202
79 HD2 ARG 9 HD2 ARG 9 2.572 -7.686 0.896
80 HD3 ARG 9 HD3 ARG 9 3.158 -8.450 -0.574
81 HE ARG 9 HE ARG 9 5.340 -8.762 0.463
82 HH11 ARG 9 HH11 ARG 9 2.777 -8.000 2.780
83 HH12 ARG 9 HH12 ARG 9 3.584 -8.895 4.044
84 HH21 ARG 9 HH21 ARG 9 6.313 -9.770 2.162
85 HH22 ARG 9 HH22 ARG 9 5.528 -9.823 3.716
86 H MET 10 H MET 10 6.318 -5.330 2.561
87 HA MET 10 HA MET 10 6.916 -2.538 3.090
88 HB2 MET 10 HB2 MET 10 5.817 -3.295 5.244
89 HB3 MET 10 HB3 MET 10 7.173 -4.422 5.463
90 HG2 MET 10 HG2 MET 10 8.731 -2.440 5.420
91 HG3 MET 10 HG3 MET 10 7.315 -1.388 5.246
92 HE1 MET 10 HE1 MET 10 9.573 -3.491 7.552
93 HE2 MET 10 HE2 MET 10 8.634 -3.657 9.052
94 HE3 MET 10 HE3 MET 10 8.142 -4.549 7.598
95 H PHE 11 H PHE 11 8.990 -2.060 2.773
96 HA PHE 11 HA PHE 11 10.944 -4.064 2.022
97 HB2 PHE 11 HB2 PHE 11 11.024 -1.058 2.240
98 HB3 PHE 11 HB3 PHE 11 12.450 -2.018 1.843
99 HD1 PHE 11 HD1 PHE 11 12.386 -3.595 -0.180
100 HD2 PHE 11 HD2 PHE 11 9.491 -0.469 0.492
101 HE1 PHE 11 HE1 PHE 11 11.778 -3.634 -2.589
102 HE2 PHE 11 HE2 PHE 11 8.898 -0.500 -1.917
103 HZ PHE 11 HZ PHE 11 10.037 -2.085 -3.460
104 H ALA 12 H ALA 12 13.134 -4.243 2.861
105 HA ALA 12 HA ALA 12 13.220 -4.838 5.634
106 HB1 ALA 12 HB1 ALA 12 14.642 -5.883 3.906
107 HB2 ALA 12 HB2 ALA 12 15.491 -4.337 3.655
108 HB3 ALA 12 HB3 ALA 12 15.627 -5.189 5.209
109 H ASN 13 H ASN 13 13.799 -1.781 4.029
110 HA ASN 13 HA ASN 13 15.111 -0.535 6.346
111 HB2 ASN 13 HB2 ASN 13 15.190 1.463 4.952
112 HB3 ASN 13 HB3 ASN 13 15.805 0.047 4.090
113 HD21 ASN 13 HD21 ASN 13 15.515 1.257 2.168
114 H GLY 14 H GLY 14 11.929 -1.382 5.887
115 HA2 GLY 14 HA2 GLY 14 10.177 -0.892 7.332
116 HA3 GLY 14 HA3 GLY 14 10.990 0.581 7.884
117 H THR 15 H THR 15 10.667 0.222 4.407
118 HA THR 15 HA THR 15 8.667 2.413 4.322
119 HB THR 15 HB THR 15 10.326 1.075 2.150
120 HG1 THR 15 HG1 THR 15 11.657 2.181 3.320
121 HG21 THR 15 HG21 THR 15 8.356 2.032 1.123
122 HG22 THR 15 HG22 THR 15 8.571 3.551 2.035
123 HG23 THR 15 HG23 THR 15 9.753 3.063 0.792
124 H VAL 16 H VAL 16 6.554 2.057 3.896
125 HA VAL 16 HA VAL 16 5.623 -0.702 3.337
126 HB VAL 16 HB VAL 16 4.257 1.841 4.288
127 HG11 VAL 16 HG11 VAL 16 2.988 -0.894 3.865
128 HG12 VAL 16 HG12 VAL 16 2.250 0.471 4.729
129 HG13 VAL 16 HG13 VAL 16 2.577 0.609 3.004
130 HG21 VAL 16 HG21 VAL 16 3.966 0.576 6.384
131 HG22 VAL 16 HG22 VAL 16 4.796 -0.823 5.673
132 HG23 VAL 16 HG23 VAL 16 5.679 0.690 5.967
133 H TYR 17 H TYR 17 4.376 -1.280 1.608
134 HA TYR 17 HA TYR 17 3.510 0.639 -0.441
135 HB2 TYR 17 HB2 TYR 17 4.817 -0.256 -2.233
136 HB3 TYR 17 HB3 TYR 17 5.939 0.214 -0.964
137 HD1 TYR 17 HD1 TYR 17 7.042 -1.566 0.458
138 HD2 TYR 17 HD2 TYR 17 4.725 -2.503 -3.066
139 HE1 TYR 17 HE1 TYR 17 8.185 -3.772 0.282
140 HE2 TYR 17 HE2 TYR 17 5.849 -4.718 -3.217
141 HH TYR 17 HH TYR 17 8.428 -5.682 -0.937
142 H TYR 18 H TYR 18 2.696 -0.846 -2.390
143 HA TYR 18 HA TYR 18 0.983 -2.983 -1.227
144 HB2 TYR 18 HB2 TYR 18 0.276 -0.794 -3.200
145 HB3 TYR 18 HB3 TYR 18 -0.765 -2.161 -2.778
146 HD1 TYR 18 HD1 TYR 18 0.813 0.937 -1.483
147 HD2 TYR 18 HD2 TYR 18 -1.935 -2.287 -0.665
148 HE1 TYR 18 HE1 TYR 18 0.082 2.102 0.572
149 HE2 TYR 18 HE2 TYR 18 -2.753 -1.068 1.337
150 HH TYR 18 HH TYR 18 -1.320 2.040 2.389
151 H PHE 19 H PHE 19 0.556 -4.792 -2.322
152 HA PHE 19 HA PHE 19 1.768 -5.182 -5.004
153 HB2 PHE 19 HB2 PHE 19 3.403 -6.028 -3.566
154 HB3 PHE 19 HB3 PHE 19 2.188 -6.805 -2.536
155 HD1 PHE 19 HD1 PHE 19 3.835 -7.018 -5.858
156 HD2 PHE 19 HD2 PHE 19 1.443 -9.048 -2.888
157 HE1 PHE 19 HE1 PHE 19 4.200 -9.170 -7.033
158 HE2 PHE 19 HE2 PHE 19 1.871 -11.204 -4.030
159 HZ PHE 19 HZ PHE 19 3.228 -11.274 -6.116
160 H ASN 20 H ASN 20 0.635 -6.204 -6.505
161 HA ASN 20 HA ASN 20 -2.034 -7.271 -5.752
162 HB2 ASN 20 HB2 ASN 20 -1.815 -5.549 -7.538
163 HB3 ASN 20 HB3 ASN 20 -0.862 -6.699 -8.496
164 HD21 ASN 20 HD21 ASN 20 -3.616 -5.406 -8.869
165 HD22 ASN 20 HD22 ASN 20 -4.653 -6.794 -9.201
166 H HIS 21 H HIS 21 -1.936 -9.369 -5.122
167 HA HIS 21 HA HIS 21 0.273 -11.085 -5.882
168 HB2 HIS 21 HB2 HIS 21 -0.405 -12.429 -4.213
169 HB3 HIS 21 HB3 HIS 21 -1.293 -10.998 -3.703
170 HD2 HIS 21 HD2 HIS 21 -3.995 -10.995 -4.193
171 HE1 HIS 21 HE1 HIS 21 -4.384 -15.140 -5.055
172 HE2 HIS 21 HE2 HIS 21 -5.655 -13.015 -4.498
173 H ILE 22 H ILE 22 -2.794 -10.494 -7.364
174 HA ILE 22 HA ILE 22 -2.988 -13.056 -8.717
175 HB ILE 22 HB ILE 22 -4.504 -10.442 -9.123
176 HG12 ILE 22 HG12 ILE 22 -5.060 -12.966 -7.486
177 HG13 ILE 22 HG13 ILE 22 -4.794 -11.324 -6.871
178 HG21 ILE 22 HG21 ILE 22 -6.176 -11.817 -10.309
179 HG22 ILE 22 HG22 ILE 22 -4.631 -11.875 -11.132
180 HG23 ILE 22 HG23 ILE 22 -5.138 -13.252 -10.126
181 HD11 ILE 22 HD11 ILE 22 -6.937 -10.613 -7.938
182 HD12 ILE 22 HD12 ILE 22 -7.244 -12.327 -8.336
183 HD13 ILE 22 HD13 ILE 22 -7.091 -11.828 -6.646
184 H THR 23 H THR 23 -1.954 -9.768 -9.533
185 HA THR 23 HA THR 23 -1.159 -10.570 -12.281
186 HB THR 23 HB THR 23 -1.394 -8.333 -12.944
187 HG1 THR 23 HG1 THR 23 -2.188 -6.987 -10.963
188 HG21 THR 23 HG21 THR 23 -3.653 -8.718 -10.929
189 HG22 THR 23 HG22 THR 23 -3.660 -7.723 -12.400
190 HG23 THR 23 HG23 THR 23 -3.588 -9.490 -12.529
191 H ASN 24 H ASN 24 0.368 -10.008 -9.363
192 HA ASN 24 HA ASN 24 2.409 -9.647 -8.633
193 HB2 ASN 24 HB2 ASN 24 3.383 -10.345 -11.420
194 HB3 ASN 24 HB3 ASN 24 4.394 -10.210 -9.976
195 HD21 ASN 24 HD21 ASN 24 2.809 -12.445 -11.866
196 HD22 ASN 24 HD22 ASN 24 2.678 -13.718 -10.647
197 H ALA 25 H ALA 25 0.863 -7.384 -10.181
198 HA ALA 25 HA ALA 25 2.921 -5.394 -10.661
199 HB1 ALA 25 HB1 ALA 25 1.033 -3.833 -10.722
200 HB2 ALA 25 HB2 ALA 25 0.654 -5.292 -11.656
201 HB3 ALA 25 HB3 ALA 25 -0.043 -5.064 -10.035
202 H SER 26 H SER 26 3.269 -3.439 -9.351
203 HA SER 26 HA SER 26 2.428 -3.449 -6.558
204 HB2 SER 26 HB2 SER 26 4.692 -3.259 -5.613
205 HB3 SER 26 HB3 SER 26 4.391 -4.840 -6.334
206 HG SER 26 HG SER 26 6.432 -4.018 -6.927
207 H GLN 27 H GLN 27 2.697 -1.500 -5.448
208 HA GLN 27 HA GLN 27 3.811 0.851 -6.787
209 HB2 GLN 27 HB2 GLN 27 1.761 2.084 -7.007
210 HB3 GLN 27 HB3 GLN 27 1.596 0.564 -7.889
211 HG2 GLN 27 HG2 GLN 27 0.256 -0.372 -6.005
212 HG3 GLN 27 HG3 GLN 27 0.420 1.152 -5.143
213 HE21 GLN 27 HE21 GLN 27 -1.520 2.207 -5.228
214 HE22 GLN 27 HE22 GLN 27 -2.515 2.350 -6.692
215 H PHE 28 H PHE 28 3.959 2.703 -5.399
216 HA PHE 28 HA PHE 28 3.940 2.065 -2.549
217 HB2 PHE 28 HB2 PHE 28 5.854 3.148 -3.143
218 HB3 PHE 28 HB3 PHE 28 5.016 4.317 -4.170
219 HD1 PHE 28 HD1 PHE 28 5.929 3.495 -0.678
220 HD2 PHE 28 HD2 PHE 28 3.967 6.324 -3.280
221 HE1 PHE 28 HE1 PHE 28 5.896 5.166 1.159
222 HE2 PHE 28 HE2 PHE 28 3.925 7.988 -1.439
223 HZ PHE 28 HZ PHE 28 4.894 7.414 0.784
224 H GLU 29 H GLU 29 1.966 4.205 -4.533
225 HA GLU 29 HA GLU 29 0.581 5.381 -2.282
226 HB2 GLU 29 HB2 GLU 29 0.863 6.537 -4.390
227 HB3 GLU 29 HB3 GLU 29 -0.073 5.298 -5.249
228 HG2 GLU 29 HG2 GLU 29 -2.095 5.905 -4.011
229 HG3 GLU 29 HG3 GLU 29 -1.180 7.038 -3.008
230 H ARG 30 H ARG 30 -1.401 4.927 -1.384
231 HA ARG 30 HA ARG 30 -2.194 2.223 -1.254
232 HB2 ARG 30 HB2 ARG 30 -2.393 3.691 0.584
233 HB3 ARG 30 HB3 ARG 30 -3.494 4.772 -0.259
234 HG2 ARG 30 HG2 ARG 30 -4.251 1.871 0.222
235 HG3 ARG 30 HG3 ARG 30 -4.384 3.060 1.525
236 HD2 ARG 30 HD2 ARG 30 -6.235 4.014 0.694
237 HD3 ARG 30 HD3 ARG 30 -5.591 4.101 -0.929
238 HE ARG 30 HE ARG 30 -6.417 1.949 -1.462
239 HH11 ARG 30 HH11 ARG 30 -7.506 2.830 1.779
240 HH12 ARG 30 HH12 ARG 30 -8.887 1.763 1.639
241 HH21 ARG 30 HH21 ARG 30 -8.124 0.741 -1.534
242 HH22 ARG 30 HH22 ARG 30 -9.155 0.491 -0.117
243 HA PRO 31 HA PRO 31 -4.441 2.012 -5.033
244 HB2 PRO 31 HB2 PRO 31 -5.361 -0.570 -4.968
245 HB3 PRO 31 HB3 PRO 31 -3.638 -0.120 -5.153
246 HG2 PRO 31 HG2 PRO 31 -5.060 -0.898 -2.588
247 HG3 PRO 31 HG3 PRO 31 -3.518 -1.541 -3.244
248 HD2 PRO 31 HD2 PRO 31 -3.557 0.423 -1.391
249 HD3 PRO 31 HD3 PRO 31 -2.367 0.446 -2.732
250 H SER 32 H SER 32 -6.339 2.773 -5.707
251 HA SER 32 HA SER 32 -8.785 2.576 -4.064
252 HB2 SER 32 HB2 SER 32 -9.706 4.129 -5.737
253 HB3 SER 32 HB3 SER 32 -8.204 4.725 -5.012
254 HG SER 32 HG SER 32 -8.230 4.973 -7.291
255 H GLY 33 H GLY 33 -7.415 0.952 -6.822
256 HA2 GLY 33 HA2 GLY 33 -9.286 -1.152 -6.947
257 HA3 GLY 33 HA3 GLY 33 -9.803 0.038 -8.138
258 H1B XYP 101 H1 XYP 34 12.794 2.057 1.401
259 H2B XYP 101 H2 XYP 34 15.472 2.319 -0.082
260 H3B XYP 101 H3 XYP 34 12.752 3.560 -0.732
261 H4B XYP 101 H4 XYP 34 14.282 1.376 -2.235
262 H5B1 XYP 101 H5E XYP 34 12.500 -0.161 -1.522
263 H5B2 XYP 101 H5A XYP 34 11.681 1.139 -0.631
264 HO2B XYP 101 H2O XYP 34 15.046 4.586 0.413
265 HO3B XYP 101 H3O XYP 34 13.952 4.085 -2.707
266 HO4B XYP 101 H4O XYP 34 12.367 1.407 -3.522
Start of MODEL 4
1 H1 LYS 1 H1 LYS 1 -12.529 -1.953 2.274
2 H2 LYS 1 H2 LYS 1 -12.365 -1.893 3.899
3 H3 LYS 1 H3 LYS 1 -11.573 -3.041 3.043
4 HA LYS 1 HA LYS 1 -11.115 -0.134 2.886
5 HB2 LYS 1 HB2 LYS 1 -10.285 -1.000 5.005
6 HB3 LYS 1 HB3 LYS 1 -9.391 -2.279 4.181
7 HG2 LYS 1 HG2 LYS 1 -8.004 -0.493 3.030
8 HG3 LYS 1 HG3 LYS 1 -8.870 0.722 3.986
9 HD2 LYS 1 HD2 LYS 1 -7.986 -0.285 6.069
10 HD3 LYS 1 HD3 LYS 1 -7.265 -1.606 5.141
11 HE2 LYS 1 HE2 LYS 1 -5.502 -0.088 5.663
12 HE3 LYS 1 HE3 LYS 1 -5.822 0.030 3.928
13 HZ1 LYS 1 HZ1 LYS 1 -7.095 2.072 4.391
14 HZ2 LYS 1 HZ2 LYS 1 -6.800 1.938 5.993
15 HZ3 LYS 1 HZ3 LYS 1 -5.572 2.222 4.958
16 H LEU 2 H LEU 2 -9.151 -3.059 2.124
17 HA LEU 2 HA LEU 2 -8.006 -1.632 -0.109
18 HB2 LEU 2 HB2 LEU 2 -6.844 -3.003 1.702
19 HB3 LEU 2 HB3 LEU 2 -7.425 -4.448 0.857
20 HG LEU 2 HG LEU 2 -6.111 -3.669 -1.153
21 HD11 LEU 2 HD11 LEU 2 -4.347 -1.955 -0.744
22 HD12 LEU 2 HD12 LEU 2 -5.949 -1.234 -0.632
23 HD13 LEU 2 HD13 LEU 2 -5.054 -1.608 0.853
24 HD21 LEU 2 HD21 LEU 2 -3.916 -4.252 -0.223
25 HD22 LEU 2 HD22 LEU 2 -4.524 -3.966 1.428
26 HD23 LEU 2 HD23 LEU 2 -5.184 -5.295 0.453
27 HA PRO 3 HA PRO 3 -10.544 -3.534 -3.212
28 HB2 PRO 3 HB2 PRO 3 -8.385 -3.370 -5.236
29 HB3 PRO 3 HB3 PRO 3 -9.968 -2.543 -5.198
30 HG2 PRO 3 HG2 PRO 3 -7.598 -1.228 -4.732
31 HG3 PRO 3 HG3 PRO 3 -9.132 -0.777 -3.918
32 HD2 PRO 3 HD2 PRO 3 -6.866 -2.472 -2.831
33 HD3 PRO 3 HD3 PRO 3 -7.780 -1.151 -2.062
34 HA PRO 4 HA PRO 4 -9.597 -7.872 -3.763
35 HB2 PRO 4 HB2 PRO 4 -10.461 -7.549 -6.639
36 HB3 PRO 4 HB3 PRO 4 -10.935 -8.806 -5.450
37 HG2 PRO 4 HG2 PRO 4 -12.616 -6.757 -5.988
38 HG3 PRO 4 HG3 PRO 4 -12.356 -7.267 -4.286
39 HD2 PRO 4 HD2 PRO 4 -11.080 -4.948 -5.768
40 HD3 PRO 4 HD3 PRO 4 -11.809 -4.989 -4.130
41 H GLY 5 H GLY 5 -7.869 -9.122 -4.319
42 HA2 GLY 5 HA2 GLY 5 -5.962 -9.874 -5.321
43 HA3 GLY 5 HA3 GLY 5 -6.178 -8.693 -6.628
44 H TRP 6 H TRP 6 -6.139 -6.562 -4.235
45 HA TRP 6 HA TRP 6 -3.198 -6.255 -4.160
46 HB2 TRP 6 HB2 TRP 6 -5.436 -4.485 -3.181
47 HB3 TRP 6 HB3 TRP 6 -3.733 -4.148 -2.924
48 HD1 TRP 6 HD1 TRP 6 -6.386 -4.193 -5.602
49 HE1 TRP 6 HE1 TRP 6 -5.607 -2.910 -7.688
50 HE3 TRP 6 HE3 TRP 6 -1.465 -3.612 -4.353
51 HZ2 TRP 6 HZ2 TRP 6 -3.103 -1.945 -8.757
52 HZ3 TRP 6 HZ3 TRP 6 0.113 -2.481 -5.947
53 HH2 TRP 6 HH2 TRP 6 -0.696 -1.673 -8.138
54 H GLU 7 H GLU 7 -1.933 -6.256 -2.374
55 HA GLU 7 HA GLU 7 -3.052 -6.754 0.324
56 HB2 GLU 7 HB2 GLU 7 -0.886 -8.364 -1.093
57 HB3 GLU 7 HB3 GLU 7 -1.064 -8.353 0.658
58 HG2 GLU 7 HG2 GLU 7 -3.153 -9.316 -1.343
59 HG3 GLU 7 HG3 GLU 7 -2.060 -10.329 -0.419
60 H LYS 8 H LYS 8 -1.743 -5.929 2.018
61 HA LYS 8 HA LYS 8 0.093 -3.768 1.251
62 HB2 LYS 8 HB2 LYS 8 -0.956 -4.741 3.911
63 HB3 LYS 8 HB3 LYS 8 0.438 -3.644 3.815
64 HG2 LYS 8 HG2 LYS 8 -0.830 -2.068 2.430
65 HG3 LYS 8 HG3 LYS 8 -2.236 -3.148 2.462
66 HD2 LYS 8 HD2 LYS 8 -2.686 -1.420 4.015
67 HD3 LYS 8 HD3 LYS 8 -2.266 -2.837 4.999
68 HE2 LYS 8 HE2 LYS 8 0.079 -1.956 5.204
69 HE3 LYS 8 HE3 LYS 8 -0.381 -0.555 4.226
70 HZ1 LYS 8 HZ1 LYS 8 -0.466 -0.061 6.606
71 HZ2 LYS 8 HZ2 LYS 8 -1.962 0.062 5.967
72 HZ3 LYS 8 HZ3 LYS 8 -1.559 -1.244 6.867
73 H ARG 9 H ARG 9 2.213 -3.582 1.618
74 HA ARG 9 HA ARG 9 3.871 -5.995 2.180
75 HB2 ARG 9 HB2 ARG 9 3.080 -5.695 -0.308
76 HB3 ARG 9 HB3 ARG 9 4.179 -4.331 -0.354
77 HG2 ARG 9 HG2 ARG 9 5.226 -6.250 -1.341
78 HG3 ARG 9 HG3 ARG 9 6.069 -5.911 0.184
79 HD2 ARG 9 HD2 ARG 9 4.744 -7.736 1.270
80 HD3 ARG 9 HD3 ARG 9 3.949 -8.066 -0.279
81 HE ARG 9 HE ARG 9 6.707 -8.725 0.543
82 HH11 ARG 9 HH11 ARG 9 4.534 -8.614 -2.221
83 HH12 ARG 9 HH12 ARG 9 5.525 -9.705 -3.140
84 HH21 ARG 9 HH21 ARG 9 7.914 -10.088 -0.703
85 HH22 ARG 9 HH22 ARG 9 7.380 -10.508 -2.307
86 H MET 10 H MET 10 6.261 -5.419 2.224
87 HA MET 10 HA MET 10 6.862 -2.615 2.874
88 HB2 MET 10 HB2 MET 10 5.778 -3.546 4.928
89 HB3 MET 10 HB3 MET 10 7.038 -4.794 4.987
90 HG2 MET 10 HG2 MET 10 8.732 -2.890 5.133
91 HG3 MET 10 HG3 MET 10 7.360 -1.793 5.359
92 HE1 MET 10 HE1 MET 10 5.962 -1.627 7.633
93 HE2 MET 10 HE2 MET 10 5.359 -3.259 7.247
94 HE3 MET 10 HE3 MET 10 5.986 -2.898 8.870
95 H PHE 11 H PHE 11 8.911 -2.086 2.596
96 HA PHE 11 HA PHE 11 10.867 -3.937 1.547
97 HB2 PHE 11 HB2 PHE 11 10.920 -0.990 2.192
98 HB3 PHE 11 HB3 PHE 11 12.346 -1.861 1.627
99 HD1 PHE 11 HD1 PHE 11 12.249 -3.134 -0.599
100 HD2 PHE 11 HD2 PHE 11 9.339 -0.177 0.583
101 HE1 PHE 11 HE1 PHE 11 11.582 -2.833 -2.974
102 HE2 PHE 11 HE2 PHE 11 8.689 0.133 -1.792
103 HZ PHE 11 HZ PHE 11 9.805 -1.197 -3.573
104 H ALA 12 H ALA 12 13.078 -4.208 2.285
105 HA ALA 12 HA ALA 12 13.281 -5.160 4.951
106 HB1 ALA 12 HB1 ALA 12 14.655 -5.937 3.051
107 HB2 ALA 12 HB2 ALA 12 15.466 -4.354 2.976
108 HB3 ALA 12 HB3 ALA 12 15.675 -5.399 4.397
109 H ASN 13 H ASN 13 13.740 -1.906 3.742
110 HA ASN 13 HA ASN 13 15.121 -0.951 6.157
111 HB2 ASN 13 HB2 ASN 13 15.168 1.195 5.036
112 HB3 ASN 13 HB3 ASN 13 15.717 -0.087 3.948
113 HD21 ASN 13 HD21 ASN 13 15.344 1.321 2.197
114 H GLY 14 H GLY 14 11.927 -1.765 5.678
115 HA2 GLY 14 HA2 GLY 14 10.222 -1.495 7.235
116 HA3 GLY 14 HA3 GLY 14 11.034 -0.091 7.942
117 H THR 15 H THR 15 10.615 0.022 4.469
118 HA THR 15 HA THR 15 8.582 2.170 4.732
119 HB THR 15 HB THR 15 10.229 1.154 2.382
120 HG1 THR 15 HG1 THR 15 11.533 2.152 3.674
121 HG21 THR 15 HG21 THR 15 8.414 3.584 2.558
122 HG22 THR 15 HG22 THR 15 9.599 3.263 1.264
123 HG23 THR 15 HG23 THR 15 8.226 2.175 1.480
124 H VAL 16 H VAL 16 6.465 1.910 4.191
125 HA VAL 16 HA VAL 16 5.531 -0.777 3.368
126 HB VAL 16 HB VAL 16 4.148 1.670 4.527
127 HG11 VAL 16 HG11 VAL 16 2.142 0.238 4.814
128 HG12 VAL 16 HG12 VAL 16 2.485 0.568 3.119
129 HG13 VAL 16 HG13 VAL 16 2.904 -1.017 3.813
130 HG21 VAL 16 HG21 VAL 16 3.821 0.204 6.486
131 HG22 VAL 16 HG22 VAL 16 4.664 -1.117 5.650
132 HG23 VAL 16 HG23 VAL 16 5.543 0.361 6.113
133 H TYR 17 H TYR 17 4.287 -1.199 1.629
134 HA TYR 17 HA TYR 17 3.318 0.849 -0.225
135 HB2 TYR 17 HB2 TYR 17 4.553 0.098 -2.139
136 HB3 TYR 17 HB3 TYR 17 5.713 0.540 -0.897
137 HD1 TYR 17 HD1 TYR 17 6.907 -1.314 0.406
138 HD2 TYR 17 HD2 TYR 17 4.568 -2.050 -3.147
139 HE1 TYR 17 HE1 TYR 17 8.163 -3.426 0.003
140 HE2 TYR 17 HE2 TYR 17 5.785 -4.188 -3.509
141 HH TYR 17 HH TYR 17 8.516 -5.167 -1.417
142 H TYR 18 H TYR 18 2.530 -0.642 -2.288
143 HA TYR 18 HA TYR 18 0.876 -2.835 -1.133
144 HB2 TYR 18 HB2 TYR 18 0.133 -0.742 -3.199
145 HB3 TYR 18 HB3 TYR 18 -0.864 -2.118 -2.710
146 HD1 TYR 18 HD1 TYR 18 0.557 1.120 -1.595
147 HD2 TYR 18 HD2 TYR 18 -1.977 -2.218 -0.569
148 HE1 TYR 18 HE1 TYR 18 -0.261 2.366 0.379
149 HE2 TYR 18 HE2 TYR 18 -2.883 -0.934 1.344
150 HH TYR 18 HH TYR 18 -1.663 2.327 2.200
151 H PHE 19 H PHE 19 0.537 -4.663 -2.208
152 HA PHE 19 HA PHE 19 1.938 -5.112 -4.784
153 HB2 PHE 19 HB2 PHE 19 3.467 -5.909 -3.241
154 HB3 PHE 19 HB3 PHE 19 2.201 -6.610 -2.221
155 HD1 PHE 19 HD1 PHE 19 3.958 -7.037 -5.477
156 HD2 PHE 19 HD2 PHE 19 1.529 -8.888 -2.434
157 HE1 PHE 19 HE1 PHE 19 4.371 -9.253 -6.502
158 HE2 PHE 19 HE2 PHE 19 2.006 -11.111 -3.418
159 HZ PHE 19 HZ PHE 19 3.403 -11.302 -5.468
160 H ASN 20 H ASN 20 0.905 -6.173 -6.353
161 HA ASN 20 HA ASN 20 -1.826 -7.182 -5.723
162 HB2 ASN 20 HB2 ASN 20 -1.461 -5.528 -7.563
163 HB3 ASN 20 HB3 ASN 20 -0.506 -6.758 -8.421
164 HD21 ASN 20 HD21 ASN 20 -3.297 -5.388 -8.819
165 HD22 ASN 20 HD22 ASN 20 -4.308 -6.781 -9.204
166 H HIS 21 H HIS 21 -1.665 -9.237 -4.890
167 HA HIS 21 HA HIS 21 0.511 -10.987 -5.690
168 HB2 HIS 21 HB2 HIS 21 -0.034 -12.318 -3.951
169 HB3 HIS 21 HB3 HIS 21 -0.703 -10.790 -3.380
170 HD2 HIS 21 HD2 HIS 21 -3.524 -10.571 -4.043
171 HE1 HIS 21 HE1 HIS 21 -4.176 -14.754 -3.547
172 HE2 HIS 21 HE2 HIS 21 -5.314 -12.481 -3.683
173 H ILE 22 H ILE 22 -2.497 -10.407 -7.178
174 HA ILE 22 HA ILE 22 -2.791 -13.045 -8.396
175 HB ILE 22 HB ILE 22 -4.037 -10.389 -9.197
176 HG12 ILE 22 HG12 ILE 22 -4.612 -10.797 -6.867
177 HG13 ILE 22 HG13 ILE 22 -6.015 -10.958 -7.926
178 HG21 ILE 22 HG21 ILE 22 -4.252 -11.984 -10.963
179 HG22 ILE 22 HG22 ILE 22 -4.794 -13.252 -9.843
180 HG23 ILE 22 HG23 ILE 22 -5.822 -11.834 -10.168
181 HD11 ILE 22 HD11 ILE 22 -5.884 -13.426 -7.750
182 HD12 ILE 22 HD12 ILE 22 -4.449 -13.275 -6.706
183 HD13 ILE 22 HD13 ILE 22 -6.020 -12.654 -6.163
184 H THR 23 H THR 23 -1.510 -9.849 -9.289
185 HA THR 23 HA THR 23 -0.630 -10.846 -11.947
186 HB THR 23 HB THR 23 -0.914 -8.700 -12.824
187 HG1 THR 23 HG1 THR 23 -1.697 -7.068 -11.219
188 HG21 THR 23 HG21 THR 23 -3.232 -8.912 -10.861
189 HG22 THR 23 HG22 THR 23 -3.207 -8.123 -12.449
190 HG23 THR 23 HG23 THR 23 -3.090 -9.888 -12.342
191 H ASN 24 H ASN 24 0.784 -9.996 -9.051
192 HA ASN 24 HA ASN 24 2.781 -9.489 -8.295
193 HB2 ASN 24 HB2 ASN 24 3.891 -10.309 -10.997
194 HB3 ASN 24 HB3 ASN 24 4.835 -10.036 -9.527
195 HD21 ASN 24 HD21 ASN 24 3.519 -12.470 -11.340
196 HD22 ASN 24 HD22 ASN 24 3.370 -13.669 -10.050
197 H ALA 25 H ALA 25 1.144 -7.414 -9.936
198 HA ALA 25 HA ALA 25 3.071 -5.320 -10.495
199 HB1 ALA 25 HB1 ALA 25 0.118 -5.072 -9.787
200 HB2 ALA 25 HB2 ALA 25 1.131 -3.860 -10.581
201 HB3 ALA 25 HB3 ALA 25 0.757 -5.376 -11.422
202 H SER 26 H SER 26 3.082 -3.223 -9.228
203 HA SER 26 HA SER 26 2.532 -3.361 -6.367
204 HB2 SER 26 HB2 SER 26 5.392 -3.249 -7.383
205 HB3 SER 26 HB3 SER 26 4.918 -2.697 -5.764
206 HG SER 26 HG SER 26 4.015 -5.190 -6.611
207 H GLN 27 H GLN 27 2.567 -1.380 -5.291
208 HA GLN 27 HA GLN 27 3.201 1.089 -6.781
209 HB2 GLN 27 HB2 GLN 27 0.774 0.228 -7.321
210 HB3 GLN 27 HB3 GLN 27 0.387 0.740 -5.669
211 HG2 GLN 27 HG2 GLN 27 1.115 3.017 -6.204
212 HG3 GLN 27 HG3 GLN 27 1.575 2.500 -7.836
213 HE21 GLN 27 HE21 GLN 27 -1.295 2.580 -5.625
214 HE22 GLN 27 HE22 GLN 27 -2.458 2.753 -6.954
215 H PHE 28 H PHE 28 3.889 2.692 -5.383
216 HA PHE 28 HA PHE 28 3.784 2.270 -2.497
217 HB2 PHE 28 HB2 PHE 28 5.745 3.264 -3.070
218 HB3 PHE 28 HB3 PHE 28 5.001 4.320 -4.279
219 HD1 PHE 28 HD1 PHE 28 5.767 3.952 -0.674
220 HD2 PHE 28 HD2 PHE 28 3.871 6.394 -3.686
221 HE1 PHE 28 HE1 PHE 28 5.619 5.839 0.937
222 HE2 PHE 28 HE2 PHE 28 3.687 8.258 -2.072
223 HZ PHE 28 HZ PHE 28 4.578 7.992 0.248
224 H GLU 29 H GLU 29 2.018 4.315 -4.697
225 HA GLU 29 HA GLU 29 0.385 5.675 -2.766
226 HB2 GLU 29 HB2 GLU 29 0.784 6.467 -5.024
227 HB3 GLU 29 HB3 GLU 29 0.008 5.012 -5.709
228 HG2 GLU 29 HG2 GLU 29 -2.156 5.687 -4.784
229 HG3 GLU 29 HG3 GLU 29 -1.412 7.053 -3.943
230 H ARG 30 H ARG 30 -1.571 5.175 -1.876
231 HA ARG 30 HA ARG 30 -2.290 2.460 -1.537
232 HB2 ARG 30 HB2 ARG 30 -2.608 4.061 0.171
233 HB3 ARG 30 HB3 ARG 30 -3.702 5.037 -0.799
234 HG2 ARG 30 HG2 ARG 30 -4.391 2.153 -0.142
235 HG3 ARG 30 HG3 ARG 30 -4.610 3.421 1.073
236 HD2 ARG 30 HD2 ARG 30 -6.454 4.257 0.111
237 HD3 ARG 30 HD3 ARG 30 -5.749 4.257 -1.489
238 HE ARG 30 HE ARG 30 -6.477 2.041 -1.902
239 HH11 ARG 30 HH11 ARG 30 -9.108 2.023 1.076
240 HH12 ARG 30 HH12 ARG 30 -7.741 3.104 1.219
241 HH21 ARG 30 HH21 ARG 30 -8.207 0.842 -2.007
242 HH22 ARG 30 HH22 ARG 30 -9.294 0.661 -0.622
243 HA PRO 31 HA PRO 31 -4.348 1.921 -5.391
244 HB2 PRO 31 HB2 PRO 31 -5.192 -0.681 -5.173
245 HB3 PRO 31 HB3 PRO 31 -3.479 -0.181 -5.332
246 HG2 PRO 31 HG2 PRO 31 -4.961 -0.833 -2.761
247 HG3 PRO 31 HG3 PRO 31 -3.379 -1.466 -3.326
248 HD2 PRO 31 HD2 PRO 31 -3.551 0.615 -1.616
249 HD3 PRO 31 HD3 PRO 31 -2.322 0.598 -2.920
250 H SER 32 H SER 32 -6.252 2.521 -6.212
251 HA SER 32 HA SER 32 -8.750 2.345 -4.602
252 HB2 SER 32 HB2 SER 32 -8.106 3.720 -7.234
253 HB3 SER 32 HB3 SER 32 -9.704 3.704 -6.467
254 HG SER 32 HG SER 32 -7.310 4.692 -5.291
255 H GLY 33 H GLY 33 -7.223 0.608 -7.186
256 HA2 GLY 33 HA2 GLY 33 -8.886 -1.599 -7.298
257 HA3 GLY 33 HA3 GLY 33 -9.615 -0.480 -8.451
258 H1B XYP 101 H1 XYP 34 12.537 2.172 1.684
259 H2B XYP 101 H2 XYP 34 15.156 2.929 0.276
260 H3B XYP 101 H3 XYP 34 12.329 4.024 -0.150
261 H4B XYP 101 H4 XYP 34 13.995 2.260 -2.015
262 H5B1 XYP 101 H5E XYP 34 12.350 0.483 -1.565
263 H5B2 XYP 101 H5A XYP 34 11.463 1.541 -0.448
264 HO2B XYP 101 H2O XYP 34 14.685 3.849 2.411
265 HO3B XYP 101 H3O XYP 34 14.163 5.453 -0.550
266 HO4B XYP 101 H4O XYP 34 12.485 3.862 -2.880
Start of MODEL 5
1 H1 LYS 1 H1 LYS 1 -12.653 -2.146 3.619
2 H2 LYS 1 H2 LYS 1 -11.637 -3.212 2.909
3 H3 LYS 1 H3 LYS 1 -12.681 -2.336 1.997
4 HA LYS 1 HA LYS 1 -11.605 -0.285 2.563
5 HB2 LYS 1 HB2 LYS 1 -10.814 -0.932 4.796
6 HB3 LYS 1 HB3 LYS 1 -9.637 -2.037 4.084
7 HG2 LYS 1 HG2 LYS 1 -8.553 -0.032 2.935
8 HG3 LYS 1 HG3 LYS 1 -9.725 0.999 3.764
9 HD2 LYS 1 HD2 LYS 1 -7.693 1.099 5.001
10 HD3 LYS 1 HD3 LYS 1 -8.816 0.126 5.963
11 HE2 LYS 1 HE2 LYS 1 -7.728 -1.953 5.078
12 HE3 LYS 1 HE3 LYS 1 -6.616 -0.956 4.125
13 HZ1 LYS 1 HZ1 LYS 1 -6.815 -0.945 7.093
14 HZ2 LYS 1 HZ2 LYS 1 -5.622 -1.650 6.232
15 HZ3 LYS 1 HZ3 LYS 1 -5.785 -0.023 6.222
16 H LEU 2 H LEU 2 -9.247 -2.980 2.116
17 HA LEU 2 HA LEU 2 -8.088 -1.619 -0.157
18 HB2 LEU 2 HB2 LEU 2 -6.944 -2.915 1.761
19 HB3 LEU 2 HB3 LEU 2 -7.480 -4.387 0.936
20 HG LEU 2 HG LEU 2 -6.171 -3.580 -1.102
21 HD11 LEU 2 HD11 LEU 2 -5.968 -1.165 -0.490
22 HD12 LEU 2 HD12 LEU 2 -5.036 -1.618 0.956
23 HD13 LEU 2 HD13 LEU 2 -4.386 -1.922 -0.675
24 HD21 LEU 2 HD21 LEU 2 -4.636 -4.003 1.497
25 HD22 LEU 2 HD22 LEU 2 -5.299 -5.279 0.454
26 HD23 LEU 2 HD23 LEU 2 -3.992 -4.239 -0.147
27 HA PRO 3 HA PRO 3 -10.681 -3.673 -3.112
28 HB2 PRO 3 HB2 PRO 3 -9.338 -3.227 -5.494
29 HB3 PRO 3 HB3 PRO 3 -10.279 -1.997 -4.599
30 HG2 PRO 3 HG2 PRO 3 -7.303 -2.445 -4.579
31 HG3 PRO 3 HG3 PRO 3 -8.196 -0.905 -4.655
32 HD2 PRO 3 HD2 PRO 3 -7.112 -1.908 -2.351
33 HD3 PRO 3 HD3 PRO 3 -8.612 -0.935 -2.369
34 HA PRO 4 HA PRO 4 -9.591 -7.836 -3.807
35 HB2 PRO 4 HB2 PRO 4 -10.435 -7.544 -6.696
36 HB3 PRO 4 HB3 PRO 4 -10.864 -8.828 -5.517
37 HG2 PRO 4 HG2 PRO 4 -12.616 -6.835 -6.022
38 HG3 PRO 4 HG3 PRO 4 -12.318 -7.337 -4.323
39 HD2 PRO 4 HD2 PRO 4 -11.150 -4.975 -5.821
40 HD3 PRO 4 HD3 PRO 4 -11.844 -5.048 -4.171
41 H GLY 5 H GLY 5 -7.892 -9.118 -4.304
42 HA2 GLY 5 HA2 GLY 5 -5.989 -9.932 -5.306
43 HA3 GLY 5 HA3 GLY 5 -6.104 -8.682 -6.559
44 H TRP 6 H TRP 6 -6.135 -6.626 -4.142
45 HA TRP 6 HA TRP 6 -3.215 -6.337 -4.017
46 HB2 TRP 6 HB2 TRP 6 -5.456 -4.578 -3.033
47 HB3 TRP 6 HB3 TRP 6 -3.752 -4.225 -2.799
48 HD1 TRP 6 HD1 TRP 6 -6.446 -4.257 -5.436
49 HE1 TRP 6 HE1 TRP 6 -5.656 -3.041 -7.556
50 HE3 TRP 6 HE3 TRP 6 -1.492 -3.801 -4.266
51 HZ2 TRP 6 HZ2 TRP 6 -3.111 -2.279 -8.727
52 HZ3 TRP 6 HZ3 TRP 6 0.118 -2.860 -5.939
53 HH2 TRP 6 HH2 TRP 6 -0.685 -2.119 -8.161
54 H GLU 7 H GLU 7 -1.944 -6.196 -2.225
55 HA GLU 7 HA GLU 7 -3.013 -6.693 0.489
56 HB2 GLU 7 HB2 GLU 7 -2.304 -8.907 -0.621
57 HB3 GLU 7 HB3 GLU 7 -0.671 -8.234 -0.681
58 HG2 GLU 7 HG2 GLU 7 -0.918 -7.913 1.890
59 HG3 GLU 7 HG3 GLU 7 -2.347 -8.932 1.762
60 H LYS 8 H LYS 8 -1.677 -5.690 2.100
61 HA LYS 8 HA LYS 8 0.231 -3.670 1.193
62 HB2 LYS 8 HB2 LYS 8 -0.716 -4.552 3.927
63 HB3 LYS 8 HB3 LYS 8 0.674 -3.464 3.727
64 HG2 LYS 8 HG2 LYS 8 -0.636 -1.913 2.393
65 HG3 LYS 8 HG3 LYS 8 -2.041 -2.994 2.446
66 HD2 LYS 8 HD2 LYS 8 -2.490 -1.263 3.979
67 HD3 LYS 8 HD3 LYS 8 -2.054 -2.666 4.977
68 HE2 LYS 8 HE2 LYS 8 0.280 -1.772 5.173
69 HE3 LYS 8 HE3 LYS 8 -0.178 -0.390 4.168
70 HZ1 LYS 8 HZ1 LYS 8 -0.267 0.153 6.535
71 HZ2 LYS 8 HZ2 LYS 8 -1.764 0.260 5.893
72 HZ3 LYS 8 HZ3 LYS 8 -1.357 -1.027 6.821
73 H ARG 9 H ARG 9 2.363 -3.558 1.470
74 HA ARG 9 HA ARG 9 3.976 -6.005 2.039
75 HB2 ARG 9 HB2 ARG 9 3.148 -5.675 -0.457
76 HB3 ARG 9 HB3 ARG 9 4.313 -4.371 -0.495
77 HG2 ARG 9 HG2 ARG 9 5.501 -6.089 -1.426
78 HG3 ARG 9 HG3 ARG 9 6.037 -6.252 0.256
79 HD2 ARG 9 HD2 ARG 9 3.973 -7.874 -1.278
80 HD3 ARG 9 HD3 ARG 9 5.585 -8.416 -0.783
81 HE ARG 9 HE ARG 9 4.731 -8.165 1.618
82 HH11 ARG 9 HH11 ARG 9 2.672 -9.247 -1.003
83 HH12 ARG 9 HH12 ARG 9 1.529 -10.005 0.088
84 HH21 ARG 9 HH21 ARG 9 3.207 -9.110 2.942
85 HH22 ARG 9 HH22 ARG 9 1.806 -9.885 2.244
86 H MET 10 H MET 10 6.388 -5.436 2.125
87 HA MET 10 HA MET 10 6.958 -2.606 2.713
88 HB2 MET 10 HB2 MET 10 5.809 -3.537 4.757
89 HB3 MET 10 HB3 MET 10 7.135 -4.708 4.905
90 HG2 MET 10 HG2 MET 10 8.730 -2.760 5.111
91 HG3 MET 10 HG3 MET 10 7.330 -1.676 5.030
92 HE1 MET 10 HE1 MET 10 9.527 -4.043 7.121
93 HE2 MET 10 HE2 MET 10 8.556 -4.382 8.570
94 HE3 MET 10 HE3 MET 10 8.097 -5.095 7.011
95 H PHE 11 H PHE 11 9.020 -2.049 2.546
96 HA PHE 11 HA PHE 11 11.027 -3.914 1.619
97 HB2 PHE 11 HB2 PHE 11 11.045 -0.956 2.199
98 HB3 PHE 11 HB3 PHE 11 12.497 -1.836 1.718
99 HD1 PHE 11 HD1 PHE 11 12.498 -3.160 -0.481
100 HD2 PHE 11 HD2 PHE 11 9.526 -0.192 0.507
101 HE1 PHE 11 HE1 PHE 11 11.923 -2.928 -2.887
102 HE2 PHE 11 HE2 PHE 11 8.965 0.045 -1.898
103 HZ PHE 11 HZ PHE 11 10.158 -1.323 -3.599
104 H ALA 12 H ALA 12 13.199 -4.170 2.462
105 HA ALA 12 HA ALA 12 13.263 -5.090 5.146
106 HB1 ALA 12 HB1 ALA 12 15.548 -4.333 3.269
107 HB2 ALA 12 HB2 ALA 12 15.677 -5.361 4.711
108 HB3 ALA 12 HB3 ALA 12 14.716 -5.906 3.325
109 H ASN 13 H ASN 13 13.827 -1.860 3.917
110 HA ASN 13 HA ASN 13 15.089 -0.878 6.382
111 HB2 ASN 13 HB2 ASN 13 15.158 1.271 5.234
112 HB3 ASN 13 HB3 ASN 13 15.805 -0.026 4.220
113 HD21 ASN 13 HD21 ASN 13 15.523 1.406 2.453
114 H GLY 14 H GLY 14 11.929 -1.709 5.784
115 HA2 GLY 14 HA2 GLY 14 10.148 -1.416 7.245
116 HA3 GLY 14 HA3 GLY 14 10.935 -0.013 7.986
117 H THR 15 H THR 15 10.654 0.040 4.484
118 HA THR 15 HA THR 15 8.639 2.212 4.638
119 HB THR 15 HB THR 15 10.325 1.159 2.335
120 HG1 THR 15 HG1 THR 15 11.641 2.117 3.647
121 HG21 THR 15 HG21 THR 15 8.567 3.630 2.517
122 HG22 THR 15 HG22 THR 15 9.750 3.290 1.226
123 HG23 THR 15 HG23 THR 15 8.349 2.233 1.431
124 H VAL 16 H VAL 16 6.534 1.872 4.210
125 HA VAL 16 HA VAL 16 5.640 -0.795 3.311
126 HB VAL 16 HB VAL 16 4.200 1.567 4.569
127 HG11 VAL 16 HG11 VAL 16 2.307 0.008 4.938
128 HG12 VAL 16 HG12 VAL 16 2.561 0.352 3.228
129 HG13 VAL 16 HG13 VAL 16 3.111 -1.200 3.910
130 HG21 VAL 16 HG21 VAL 16 5.735 0.365 6.110
131 HG22 VAL 16 HG22 VAL 16 4.042 0.102 6.545
132 HG23 VAL 16 HG23 VAL 16 4.940 -1.170 5.693
133 H TYR 17 H TYR 17 4.353 -1.191 1.601
134 HA TYR 17 HA TYR 17 3.338 0.888 -0.204
135 HB2 TYR 17 HB2 TYR 17 4.567 0.138 -2.137
136 HB3 TYR 17 HB3 TYR 17 5.711 0.618 -0.896
137 HD1 TYR 17 HD1 TYR 17 4.576 -2.060 -3.074
138 HD2 TYR 17 HD2 TYR 17 7.009 -1.154 0.372
139 HE1 TYR 17 HE1 TYR 17 5.854 -4.169 -3.422
140 HE2 TYR 17 HE2 TYR 17 8.324 -3.230 -0.022
141 HH TYR 17 HH TYR 17 8.690 -4.993 -1.406
142 H TYR 18 H TYR 18 2.616 -0.649 -2.318
143 HA TYR 18 HA TYR 18 0.882 -2.777 -1.165
144 HB2 TYR 18 HB2 TYR 18 0.198 -0.625 -3.183
145 HB3 TYR 18 HB3 TYR 18 -0.837 -1.994 -2.757
146 HD1 TYR 18 HD1 TYR 18 0.558 1.216 -1.582
147 HD2 TYR 18 HD2 TYR 18 -1.918 -2.168 -0.567
148 HE1 TYR 18 HE1 TYR 18 -0.255 2.429 0.410
149 HE2 TYR 18 HE2 TYR 18 -2.808 -0.917 1.381
150 HH TYR 18 HH TYR 18 -1.643 2.359 2.237
151 H PHE 19 H PHE 19 0.462 -4.597 -2.258
152 HA PHE 19 HA PHE 19 1.784 -5.036 -4.874
153 HB2 PHE 19 HB2 PHE 19 3.395 -5.770 -3.357
154 HB3 PHE 19 HB3 PHE 19 2.185 -6.560 -2.338
155 HD1 PHE 19 HD1 PHE 19 1.223 -8.773 -2.906
156 HD2 PHE 19 HD2 PHE 19 4.243 -6.889 -5.347
157 HE1 PHE 19 HE1 PHE 19 1.719 -10.947 -3.980
158 HE2 PHE 19 HE2 PHE 19 4.671 -9.056 -6.485
159 HZ PHE 19 HZ PHE 19 3.418 -11.094 -5.791
160 H ASN 20 H ASN 20 0.802 -6.242 -6.366
161 HA ASN 20 HA ASN 20 -1.929 -7.232 -5.705
162 HB2 ASN 20 HB2 ASN 20 -1.599 -5.563 -7.528
163 HB3 ASN 20 HB3 ASN 20 -0.628 -6.757 -8.410
164 HD21 ASN 20 HD21 ASN 20 -3.442 -5.416 -8.763
165 HD22 ASN 20 HD22 ASN 20 -4.434 -6.815 -9.183
166 H HIS 21 H HIS 21 -2.002 -9.334 -5.121
167 HA HIS 21 HA HIS 21 0.215 -11.123 -5.789
168 HB2 HIS 21 HB2 HIS 21 -0.389 -12.325 -4.023
169 HB3 HIS 21 HB3 HIS 21 -1.288 -10.881 -3.571
170 HD2 HIS 21 HD2 HIS 21 -4.034 -10.969 -4.241
171 HE1 HIS 21 HE1 HIS 21 -4.250 -15.225 -4.196
172 HE2 HIS 21 HE2 HIS 21 -5.615 -13.077 -4.152
173 H ILE 22 H ILE 22 -2.699 -10.404 -7.407
174 HA ILE 22 HA ILE 22 -3.015 -12.999 -8.730
175 HB ILE 22 HB ILE 22 -4.142 -10.279 -9.501
176 HG12 ILE 22 HG12 ILE 22 -4.831 -10.700 -7.204
177 HG13 ILE 22 HG13 ILE 22 -6.190 -10.788 -8.324
178 HG21 ILE 22 HG21 ILE 22 -5.931 -11.634 -10.578
179 HG22 ILE 22 HG22 ILE 22 -4.334 -11.838 -11.304
180 HG23 ILE 22 HG23 ILE 22 -4.980 -13.098 -10.231
181 HD11 ILE 22 HD11 ILE 22 -6.316 -12.516 -6.581
182 HD12 ILE 22 HD12 ILE 22 -6.184 -13.251 -8.187
183 HD13 ILE 22 HD13 ILE 22 -4.765 -13.199 -7.113
184 H THR 23 H THR 23 -1.624 -9.807 -9.434
185 HA THR 23 HA THR 23 -0.656 -10.722 -12.089
186 HB THR 23 HB THR 23 -0.834 -8.530 -12.877
187 HG1 THR 23 HG1 THR 23 -1.612 -6.937 -11.245
188 HG21 THR 23 HG21 THR 23 -3.233 -8.736 -11.012
189 HG22 THR 23 HG22 THR 23 -3.120 -7.899 -12.571
190 HG23 THR 23 HG23 THR 23 -3.068 -9.669 -12.517
191 H ASN 24 H ASN 24 0.671 -10.032 -9.095
192 HA ASN 24 HA ASN 24 2.665 -9.627 -8.249
193 HB2 ASN 24 HB2 ASN 24 3.843 -10.398 -10.936
194 HB3 ASN 24 HB3 ASN 24 4.727 -10.245 -9.413
195 HD21 ASN 24 HD21 ASN 24 3.406 -12.520 -11.407
196 HD22 ASN 24 HD22 ASN 24 3.124 -13.771 -10.191
197 H ALA 25 H ALA 25 1.195 -7.455 -9.967
198 HA ALA 25 HA ALA 25 3.235 -5.451 -10.429
199 HB1 ALA 25 HB1 ALA 25 0.243 -5.142 -9.931
200 HB2 ALA 25 HB2 ALA 25 1.329 -3.921 -10.617
201 HB3 ALA 25 HB3 ALA 25 1.007 -5.415 -11.515
202 H SER 26 H SER 26 3.445 -3.422 -9.184
203 HA SER 26 HA SER 26 2.530 -3.383 -6.422
204 HB2 SER 26 HB2 SER 26 4.743 -3.115 -5.397
205 HB3 SER 26 HB3 SER 26 4.515 -4.723 -6.090
206 HG SER 26 HG SER 26 5.769 -4.120 -7.847
207 H GLN 27 H GLN 27 2.703 -1.395 -5.368
208 HA GLN 27 HA GLN 27 3.777 0.956 -6.750
209 HB2 GLN 27 HB2 GLN 27 1.684 2.095 -7.056
210 HB3 GLN 27 HB3 GLN 27 1.601 0.543 -7.894
211 HG2 GLN 27 HG2 GLN 27 0.247 -0.393 -6.032
212 HG3 GLN 27 HG3 GLN 27 0.344 1.147 -5.188
213 HE21 GLN 27 HE21 GLN 27 -1.601 2.170 -5.333
214 HE22 GLN 27 HE22 GLN 27 -2.574 2.261 -6.816
215 H PHE 28 H PHE 28 3.860 2.837 -5.399
216 HA PHE 28 HA PHE 28 3.732 2.263 -2.536
217 HB2 PHE 28 HB2 PHE 28 5.670 3.329 -3.068
218 HB3 PHE 28 HB3 PHE 28 4.878 4.484 -4.147
219 HD1 PHE 28 HD1 PHE 28 3.727 6.474 -3.317
220 HD2 PHE 28 HD2 PHE 28 5.700 3.740 -0.618
221 HE1 PHE 28 HE1 PHE 28 3.587 8.162 -1.505
222 HE2 PHE 28 HE2 PHE 28 5.572 5.438 1.188
223 HZ PHE 28 HZ PHE 28 4.516 7.650 0.752
224 H GLU 29 H GLU 29 1.802 4.302 -4.654
225 HA GLU 29 HA GLU 29 0.318 5.507 -2.491
226 HB2 GLU 29 HB2 GLU 29 0.550 6.732 -4.496
227 HB3 GLU 29 HB3 GLU 29 0.011 5.384 -5.488
228 HG2 GLU 29 HG2 GLU 29 -1.639 7.100 -5.496
229 HG3 GLU 29 HG3 GLU 29 -2.287 5.653 -4.747
230 H ARG 30 H ARG 30 -1.769 5.160 -1.785
231 HA ARG 30 HA ARG 30 -2.448 2.439 -1.407
232 HB2 ARG 30 HB2 ARG 30 -2.768 3.972 0.285
233 HB3 ARG 30 HB3 ARG 30 -3.841 4.997 -0.662
234 HG2 ARG 30 HG2 ARG 30 -4.613 2.116 -0.105
235 HG3 ARG 30 HG3 ARG 30 -4.768 3.325 1.180
236 HD2 ARG 30 HD2 ARG 30 -6.593 4.285 0.288
237 HD3 ARG 30 HD3 ARG 30 -5.904 4.333 -1.324
238 HE ARG 30 HE ARG 30 -6.762 2.218 -1.852
239 HH11 ARG 30 HH11 ARG 30 -7.827 3.022 1.408
240 HH12 ARG 30 HH12 ARG 30 -9.240 2.007 1.239
241 HH21 ARG 30 HH21 ARG 30 -9.520 0.763 -0.572
242 HH22 ARG 30 HH22 ARG 30 -8.489 1.054 -1.975
243 HA PRO 31 HA PRO 31 -4.397 1.644 -5.253
244 HB2 PRO 31 HB2 PRO 31 -5.692 -0.710 -3.901
245 HB3 PRO 31 HB3 PRO 31 -4.742 -0.654 -5.418
246 HG2 PRO 31 HG2 PRO 31 -3.685 -1.557 -3.071
247 HG3 PRO 31 HG3 PRO 31 -2.704 -0.553 -4.200
248 HD2 PRO 31 HD2 PRO 31 -4.137 0.259 -1.667
249 HD3 PRO 31 HD3 PRO 31 -2.527 0.718 -2.304
250 H SER 32 H SER 32 -6.121 2.449 -6.286
251 HA SER 32 HA SER 32 -8.745 2.768 -4.917
252 HB2 SER 32 HB2 SER 32 -7.701 3.751 -7.595
253 HB3 SER 32 HB3 SER 32 -9.349 4.014 -6.998
254 HG SER 32 HG SER 32 -6.969 4.812 -5.658
255 H GLY 33 H GLY 33 -7.251 0.606 -7.197
256 HA2 GLY 33 HA2 GLY 33 -9.122 -1.414 -7.236
257 HA3 GLY 33 HA3 GLY 33 -9.685 -0.337 -8.514
258 H1B XYP 101 H1 XYP 34 12.803 2.258 1.748
259 H2B XYP 101 H2 XYP 34 15.493 2.713 0.336
260 H3B XYP 101 H3 XYP 34 12.768 4.000 -0.194
261 H4B XYP 101 H4 XYP 34 14.331 2.019 -1.925
262 H5B1 XYP 101 H5E XYP 34 12.557 0.395 -1.415
263 H5B2 XYP 101 H5A XYP 34 11.719 1.576 -0.387
264 HO2B XYP 101 H2O XYP 34 15.041 4.903 1.087
265 HO3B XYP 101 H3O XYP 34 13.982 4.760 -2.081
266 HO4B XYP 101 H4O XYP 34 12.429 2.183 -3.220
Start of MODEL 6
1 H1 LYS 1 H1 LYS 1 -12.424 -2.216 2.597
2 H2 LYS 1 H2 LYS 1 -12.213 -1.882 4.182
3 H3 LYS 1 H3 LYS 1 -11.291 -3.024 3.462
4 HA LYS 1 HA LYS 1 -11.277 -0.143 2.850
5 HB2 LYS 1 HB2 LYS 1 -10.243 -0.466 4.994
6 HB3 LYS 1 HB3 LYS 1 -9.247 -1.797 4.392
7 HG2 LYS 1 HG2 LYS 1 -8.020 -0.240 2.903
8 HG3 LYS 1 HG3 LYS 1 -9.052 1.099 3.440
9 HD2 LYS 1 HD2 LYS 1 -8.160 0.943 5.696
10 HD3 LYS 1 HD3 LYS 1 -7.272 -0.547 5.295
11 HE2 LYS 1 HE2 LYS 1 -5.899 0.647 3.652
12 HE3 LYS 1 HE3 LYS 1 -6.824 2.136 3.915
13 HZ1 LYS 1 HZ1 LYS 1 -6.033 2.166 6.211
14 HZ2 LYS 1 HZ2 LYS 1 -5.179 0.791 5.991
15 HZ3 LYS 1 HZ3 LYS 1 -4.760 2.158 5.192
16 H LEU 2 H LEU 2 -8.990 -2.898 2.377
17 HA LEU 2 HA LEU 2 -7.969 -1.606 0.045
18 HB2 LEU 2 HB2 LEU 2 -6.745 -2.909 1.847
19 HB3 LEU 2 HB3 LEU 2 -7.347 -4.388 1.079
20 HG LEU 2 HG LEU 2 -6.118 -3.643 -1.019
21 HD11 LEU 2 HD11 LEU 2 -4.306 -1.958 -0.681
22 HD12 LEU 2 HD12 LEU 2 -5.897 -1.217 -0.536
23 HD13 LEU 2 HD13 LEU 2 -4.963 -1.580 0.932
24 HD21 LEU 2 HD21 LEU 2 -5.159 -5.288 0.536
25 HD22 LEU 2 HD22 LEU 2 -3.892 -4.253 -0.148
26 HD23 LEU 2 HD23 LEU 2 -4.463 -3.978 1.515
27 HA PRO 3 HA PRO 3 -10.579 -3.557 -2.952
28 HB2 PRO 3 HB2 PRO 3 -8.407 -3.400 -4.988
29 HB3 PRO 3 HB3 PRO 3 -10.041 -2.674 -5.013
30 HG2 PRO 3 HG2 PRO 3 -7.809 -1.172 -4.579
31 HG3 PRO 3 HG3 PRO 3 -9.347 -0.836 -3.720
32 HD2 PRO 3 HD2 PRO 3 -6.933 -2.373 -2.685
33 HD3 PRO 3 HD3 PRO 3 -7.898 -1.095 -1.902
34 HA PRO 4 HA PRO 4 -9.623 -7.916 -3.468
35 HB2 PRO 4 HB2 PRO 4 -10.674 -7.614 -6.284
36 HB3 PRO 4 HB3 PRO 4 -11.055 -8.871 -5.063
37 HG2 PRO 4 HG2 PRO 4 -12.792 -6.842 -5.501
38 HG3 PRO 4 HG3 PRO 4 -12.419 -7.343 -3.817
39 HD2 PRO 4 HD2 PRO 4 -11.265 -5.017 -5.385
40 HD3 PRO 4 HD3 PRO 4 -11.890 -5.058 -3.705
41 H GLY 5 H GLY 5 -7.918 -9.155 -4.149
42 HA2 GLY 5 HA2 GLY 5 -6.062 -9.854 -5.279
43 HA3 GLY 5 HA3 GLY 5 -6.378 -8.652 -6.546
44 H TRP 6 H TRP 6 -6.210 -6.698 -3.924
45 HA TRP 6 HA TRP 6 -3.267 -6.335 -4.082
46 HB2 TRP 6 HB2 TRP 6 -5.437 -4.530 -3.037
47 HB3 TRP 6 HB3 TRP 6 -3.719 -4.224 -2.821
48 HD1 TRP 6 HD1 TRP 6 -6.425 -4.269 -5.451
49 HE1 TRP 6 HE1 TRP 6 -5.634 -3.140 -7.620
50 HE3 TRP 6 HE3 TRP 6 -1.467 -3.769 -4.301
51 HZ2 TRP 6 HZ2 TRP 6 -3.100 -2.435 -8.816
52 HZ3 TRP 6 HZ3 TRP 6 0.132 -2.862 -6.005
53 HH2 TRP 6 HH2 TRP 6 -0.678 -2.198 -8.245
54 H GLU 7 H GLU 7 -1.914 -6.217 -2.300
55 HA GLU 7 HA GLU 7 -2.978 -6.742 0.408
56 HB2 GLU 7 HB2 GLU 7 -2.312 -8.951 -0.714
57 HB3 GLU 7 HB3 GLU 7 -0.656 -8.332 -0.756
58 HG2 GLU 7 HG2 GLU 7 -0.725 -8.120 1.746
59 HG3 GLU 7 HG3 GLU 7 -2.379 -8.739 1.735
60 H LYS 8 H LYS 8 -1.647 -5.820 2.053
61 HA LYS 8 HA LYS 8 0.242 -3.758 1.205
62 HB2 LYS 8 HB2 LYS 8 -0.739 -4.698 3.907
63 HB3 LYS 8 HB3 LYS 8 0.647 -3.598 3.754
64 HG2 LYS 8 HG2 LYS 8 -0.658 -2.024 2.429
65 HG3 LYS 8 HG3 LYS 8 -2.057 -3.115 2.456
66 HD2 LYS 8 HD2 LYS 8 -2.516 -1.427 4.047
67 HD3 LYS 8 HD3 LYS 8 -2.056 -2.852 5.001
68 HE2 LYS 8 HE2 LYS 8 0.300 -1.932 5.131
69 HE3 LYS 8 HE3 LYS 8 -0.252 -0.496 4.258
70 HZ1 LYS 8 HZ1 LYS 8 -1.766 -0.038 6.113
71 HZ2 LYS 8 HZ2 LYS 8 -1.271 -1.380 6.909
72 HZ3 LYS 8 HZ3 LYS 8 -0.234 -0.143 6.666
73 H ARG 9 H ARG 9 2.362 -3.607 1.478
74 HA ARG 9 HA ARG 9 4.005 -5.999 2.153
75 HB2 ARG 9 HB2 ARG 9 3.197 -5.935 -0.323
76 HB3 ARG 9 HB3 ARG 9 4.208 -4.513 -0.504
77 HG2 ARG 9 HG2 ARG 9 5.382 -6.409 -1.370
78 HG3 ARG 9 HG3 ARG 9 6.196 -5.919 0.125
79 HD2 ARG 9 HD2 ARG 9 6.150 -8.247 0.220
80 HD3 ARG 9 HD3 ARG 9 4.837 -7.778 1.302
81 HE ARG 9 HE ARG 9 4.635 -8.977 -1.430
82 HH11 ARG 9 HH11 ARG 9 2.984 -10.463 -1.739
83 HH12 ARG 9 HH12 ARG 9 1.674 -10.498 -0.554
84 HH21 ARG 9 HH21 ARG 9 2.684 -8.036 1.412
85 HH22 ARG 9 HH22 ARG 9 1.578 -9.346 1.036
86 H MET 10 H MET 10 6.395 -5.437 2.218
87 HA MET 10 HA MET 10 6.959 -2.589 2.722
88 HB2 MET 10 HB2 MET 10 5.779 -3.462 4.771
89 HB3 MET 10 HB3 MET 10 7.094 -4.637 4.968
90 HG2 MET 10 HG2 MET 10 8.698 -2.696 5.157
91 HG3 MET 10 HG3 MET 10 7.308 -1.605 5.028
92 HE1 MET 10 HE1 MET 10 9.448 -3.941 7.215
93 HE2 MET 10 HE2 MET 10 8.445 -4.241 8.650
94 HE3 MET 10 HE3 MET 10 8.013 -4.983 7.096
95 H PHE 11 H PHE 11 9.024 -2.041 2.562
96 HA PHE 11 HA PHE 11 11.040 -3.935 1.714
97 HB2 PHE 11 HB2 PHE 11 11.061 -0.964 2.224
98 HB3 PHE 11 HB3 PHE 11 12.514 -1.862 1.782
99 HD1 PHE 11 HD1 PHE 11 12.558 -3.216 -0.387
100 HD2 PHE 11 HD2 PHE 11 9.542 -0.262 0.500
101 HE1 PHE 11 HE1 PHE 11 12.011 -3.044 -2.804
102 HE2 PHE 11 HE2 PHE 11 9.008 -0.083 -1.917
103 HZ PHE 11 HZ PHE 11 10.237 -1.475 -3.572
104 H ALA 12 H ALA 12 13.199 -4.176 2.599
105 HA ALA 12 HA ALA 12 13.212 -5.045 5.298
106 HB1 ALA 12 HB1 ALA 12 15.632 -5.332 4.913
107 HB2 ALA 12 HB2 ALA 12 14.695 -5.899 3.519
108 HB3 ALA 12 HB3 ALA 12 15.534 -4.330 3.450
109 H ASN 13 H ASN 13 13.807 -1.840 4.024
110 HA ASN 13 HA ASN 13 15.030 -0.815 6.492
111 HB2 ASN 13 HB2 ASN 13 15.119 1.313 5.304
112 HB3 ASN 13 HB3 ASN 13 15.786 -0.004 4.330
113 HD21 ASN 13 HD21 ASN 13 15.534 1.395 2.528
114 H GLY 14 H GLY 14 11.878 -1.649 5.852
115 HA2 GLY 14 HA2 GLY 14 10.073 -1.328 7.279
116 HA3 GLY 14 HA3 GLY 14 10.849 0.090 8.003
117 H THR 15 H THR 15 10.627 0.071 4.497
118 HA THR 15 HA THR 15 8.619 2.252 4.575
119 HB THR 15 HB THR 15 10.336 1.151 2.319
120 HG1 THR 15 HG1 THR 15 11.639 2.120 3.638
121 HG21 THR 15 HG21 THR 15 8.595 3.637 2.437
122 HG22 THR 15 HG22 THR 15 9.795 3.269 1.170
123 HG23 THR 15 HG23 THR 15 8.383 2.225 1.369
124 H VAL 16 H VAL 16 6.518 1.911 4.126
125 HA VAL 16 HA VAL 16 5.629 -0.771 3.270
126 HB VAL 16 HB VAL 16 4.180 1.619 4.463
127 HG11 VAL 16 HG11 VAL 16 2.552 0.386 3.128
128 HG12 VAL 16 HG12 VAL 16 3.089 -1.155 3.841
129 HG13 VAL 16 HG13 VAL 16 2.278 0.073 4.840
130 HG21 VAL 16 HG21 VAL 16 5.694 0.441 6.043
131 HG22 VAL 16 HG22 VAL 16 3.995 0.196 6.464
132 HG23 VAL 16 HG23 VAL 16 4.894 -1.097 5.649
133 H TYR 17 H TYR 17 4.353 -1.201 1.560
134 HA TYR 17 HA TYR 17 3.348 0.834 -0.296
135 HB2 TYR 17 HB2 TYR 17 4.591 0.047 -2.202
136 HB3 TYR 17 HB3 TYR 17 5.730 0.543 -0.963
137 HD1 TYR 17 HD1 TYR 17 4.594 -2.164 -3.104
138 HD2 TYR 17 HD2 TYR 17 7.010 -1.219 0.344
139 HE1 TYR 17 HE1 TYR 17 5.878 -4.275 -3.423
140 HE2 TYR 17 HE2 TYR 17 8.318 -3.306 -0.011
141 HH TYR 17 HH TYR 17 8.696 -5.083 -1.382
142 H TYR 18 H TYR 18 2.619 -0.732 -2.367
143 HA TYR 18 HA TYR 18 0.910 -2.869 -1.187
144 HB2 TYR 18 HB2 TYR 18 0.196 -0.735 -3.218
145 HB3 TYR 18 HB3 TYR 18 -0.832 -2.098 -2.752
146 HD1 TYR 18 HD1 TYR 18 0.521 1.163 -1.682
147 HD2 TYR 18 HD2 TYR 18 -1.839 -2.259 -0.521
148 HE1 TYR 18 HE1 TYR 18 -0.322 2.419 0.281
149 HE2 TYR 18 HE2 TYR 18 -2.748 -0.975 1.388
150 HH TYR 18 HH TYR 18 -2.758 1.018 2.505
151 H PHE 19 H PHE 19 0.503 -4.697 -2.286
152 HA PHE 19 HA PHE 19 1.820 -5.101 -4.909
153 HB2 PHE 19 HB2 PHE 19 3.422 -5.858 -3.403
154 HB3 PHE 19 HB3 PHE 19 2.210 -6.675 -2.406
155 HD1 PHE 19 HD1 PHE 19 4.292 -6.939 -5.417
156 HD2 PHE 19 HD2 PHE 19 1.251 -8.855 -3.037
157 HE1 PHE 19 HE1 PHE 19 4.746 -9.091 -6.573
158 HE2 PHE 19 HE2 PHE 19 1.763 -11.023 -4.140
159 HZ PHE 19 HZ PHE 19 3.489 -11.139 -5.925
160 H ASN 20 H ASN 20 0.880 -6.285 -6.424
161 HA ASN 20 HA ASN 20 -1.946 -7.014 -5.900
162 HB2 ASN 20 HB2 ASN 20 -1.224 -5.300 -7.597
163 HB3 ASN 20 HB3 ASN 20 -0.421 -6.588 -8.502
164 HD21 ASN 20 HD21 ASN 20 -3.512 -7.568 -7.093
165 HD22 ASN 20 HD22 ASN 20 -4.404 -7.283 -8.587
166 H HIS 21 H HIS 21 -1.679 -9.134 -4.974
167 HA HIS 21 HA HIS 21 0.247 -10.987 -5.950
168 HB2 HIS 21 HB2 HIS 21 -0.363 -12.352 -4.249
169 HB3 HIS 21 HB3 HIS 21 -0.982 -10.820 -3.629
170 HD2 HIS 21 HD2 HIS 21 -3.810 -10.501 -4.322
171 HE1 HIS 21 HE1 HIS 21 -4.567 -14.683 -4.028
172 HE2 HIS 21 HE2 HIS 21 -5.648 -12.381 -4.088
173 H ILE 22 H ILE 22 -2.737 -10.283 -7.362
174 HA ILE 22 HA ILE 22 -3.162 -12.829 -8.731
175 HB ILE 22 HB ILE 22 -4.211 -10.022 -9.277
176 HG12 ILE 22 HG12 ILE 22 -4.870 -10.670 -7.046
177 HG13 ILE 22 HG13 ILE 22 -6.258 -10.620 -8.134
178 HG21 ILE 22 HG21 ILE 22 -5.160 -12.709 -10.328
179 HG22 ILE 22 HG22 ILE 22 -6.081 -11.191 -10.460
180 HG23 ILE 22 HG23 ILE 22 -4.515 -11.340 -11.259
181 HD11 ILE 22 HD11 ILE 22 -6.410 -12.495 -6.583
182 HD12 ILE 22 HD12 ILE 22 -6.266 -13.100 -8.244
183 HD13 ILE 22 HD13 ILE 22 -4.860 -13.146 -7.150
184 H THR 23 H THR 23 -1.378 -9.843 -9.334
185 HA THR 23 HA THR 23 -0.706 -10.699 -12.103
186 HB THR 23 HB THR 23 -0.887 -8.562 -12.933
187 HG1 THR 23 HG1 THR 23 -1.525 -7.023 -10.929
188 HG21 THR 23 HG21 THR 23 -3.151 -9.482 -12.394
189 HG22 THR 23 HG22 THR 23 -3.122 -8.593 -10.853
190 HG23 THR 23 HG23 THR 23 -3.086 -7.712 -12.393
191 H ASN 24 H ASN 24 0.709 -9.970 -9.156
192 HA ASN 24 HA ASN 24 2.723 -9.642 -8.341
193 HB2 ASN 24 HB2 ASN 24 3.871 -10.435 -11.036
194 HB3 ASN 24 HB3 ASN 24 4.759 -10.312 -9.512
195 HD21 ASN 24 HD21 ASN 24 3.422 -12.550 -11.517
196 HD22 ASN 24 HD22 ASN 24 3.094 -13.798 -10.310
197 H ALA 25 H ALA 25 1.290 -7.440 -10.071
198 HA ALA 25 HA ALA 25 3.380 -5.464 -10.468
199 HB1 ALA 25 HB1 ALA 25 1.158 -5.382 -11.597
200 HB2 ALA 25 HB2 ALA 25 0.389 -5.068 -10.023
201 HB3 ALA 25 HB3 ALA 25 1.527 -3.897 -10.699
202 H SER 26 H SER 26 3.551 -3.441 -9.194
203 HA SER 26 HA SER 26 2.566 -3.429 -6.459
204 HB2 SER 26 HB2 SER 26 4.751 -3.169 -5.371
205 HB3 SER 26 HB3 SER 26 4.543 -4.771 -6.083
206 HG SER 26 HG SER 26 5.843 -4.150 -7.802
207 H GLN 27 H GLN 27 2.710 -1.440 -5.389
208 HA GLN 27 HA GLN 27 3.832 0.908 -6.738
209 HB2 GLN 27 HB2 GLN 27 1.754 2.066 -7.081
210 HB3 GLN 27 HB3 GLN 27 1.686 0.523 -7.936
211 HG2 GLN 27 HG2 GLN 27 0.277 -0.424 -6.124
212 HG3 GLN 27 HG3 GLN 27 0.361 1.104 -5.256
213 HE21 GLN 27 HE21 GLN 27 -1.529 2.215 -5.467
214 HE22 GLN 27 HE22 GLN 27 -2.475 2.306 -6.967
215 H PHE 28 H PHE 28 3.903 2.783 -5.397
216 HA PHE 28 HA PHE 28 3.744 2.225 -2.539
217 HB2 PHE 28 HB2 PHE 28 5.686 3.286 -3.057
218 HB3 PHE 28 HB3 PHE 28 4.905 4.433 -4.153
219 HD1 PHE 28 HD1 PHE 28 5.667 3.707 -0.605
220 HD2 PHE 28 HD2 PHE 28 3.782 6.446 -3.357
221 HE1 PHE 28 HE1 PHE 28 5.534 5.421 1.186
222 HE2 PHE 28 HE2 PHE 28 3.637 8.151 -1.562
223 HZ PHE 28 HZ PHE 28 4.519 7.645 0.714
224 H GLU 29 H GLU 29 1.860 4.287 -4.675
225 HA GLU 29 HA GLU 29 0.345 5.518 -2.534
226 HB2 GLU 29 HB2 GLU 29 0.740 6.627 -4.643
227 HB3 GLU 29 HB3 GLU 29 -0.120 5.355 -5.533
228 HG2 GLU 29 HG2 GLU 29 -2.229 5.965 -4.458
229 HG3 GLU 29 HG3 GLU 29 -1.402 7.128 -3.416
230 H ARG 30 H ARG 30 -1.748 5.110 -1.809
231 HA ARG 30 HA ARG 30 -2.407 2.409 -1.523
232 HB2 ARG 30 HB2 ARG 30 -2.849 3.882 0.180
233 HB3 ARG 30 HB3 ARG 30 -3.890 4.918 -0.795
234 HG2 ARG 30 HG2 ARG 30 -4.652 2.020 -0.330
235 HG3 ARG 30 HG3 ARG 30 -4.893 3.203 0.964
236 HD2 ARG 30 HD2 ARG 30 -6.618 4.262 -0.065
237 HD3 ARG 30 HD3 ARG 30 -5.907 4.126 -1.660
238 HE ARG 30 HE ARG 30 -6.856 2.029 -2.017
239 HH11 ARG 30 HH11 ARG 30 -9.613 0.713 -0.564
240 HH12 ARG 30 HH12 ARG 30 -8.646 0.893 -2.022
241 HH21 ARG 30 HH21 ARG 30 -7.865 3.113 1.175
242 HH22 ARG 30 HH22 ARG 30 -9.295 2.111 1.113
243 HA PRO 31 HA PRO 31 -4.282 1.524 -5.365
244 HB2 PRO 31 HB2 PRO 31 -5.590 -0.832 -4.028
245 HB3 PRO 31 HB3 PRO 31 -4.569 -0.774 -5.497
246 HG2 PRO 31 HG2 PRO 31 -3.584 -1.630 -3.095
247 HG3 PRO 31 HG3 PRO 31 -2.589 -0.589 -4.180
248 HD2 PRO 31 HD2 PRO 31 -4.248 0.190 -1.767
249 HD3 PRO 31 HD3 PRO 31 -2.576 0.635 -2.225
250 H SER 32 H SER 32 -6.005 2.279 -6.472
251 HA SER 32 HA SER 32 -8.615 2.728 -5.197
252 HB2 SER 32 HB2 SER 32 -7.647 3.152 -8.048
253 HB3 SER 32 HB3 SER 32 -9.244 3.615 -7.430
254 HG SER 32 HG SER 32 -7.750 5.349 -7.361
255 H GLY 33 H GLY 33 -7.215 0.318 -7.334
256 HA2 GLY 33 HA2 GLY 33 -8.865 -1.817 -7.035
257 HA3 GLY 33 HA3 GLY 33 -9.780 -0.852 -8.195
258 H1B XYP 101 H1 XYP 34 12.827 2.226 1.759
259 H2B XYP 101 H2 XYP 34 15.535 2.650 0.373
260 H3B XYP 101 H3 XYP 34 12.817 3.928 -0.212
261 H4B XYP 101 H4 XYP 34 14.395 1.914 -1.890
262 H5B1 XYP 101 H5E XYP 34 12.622 0.297 -1.364
263 H5B2 XYP 101 H5A XYP 34 11.768 1.495 -0.368
264 HO2B XYP 101 H2O XYP 34 15.078 4.856 1.075
265 HO3B XYP 101 H3O XYP 34 14.049 4.651 -2.101
266 HO4B XYP 101 H4O XYP 34 12.502 2.051 -3.201
Start of MODEL 7
1 H1 LYS 1 H1 LYS 1 -11.571 -3.333 3.056
2 H2 LYS 1 H2 LYS 1 -12.621 -2.402 2.209
3 H3 LYS 1 H3 LYS 1 -12.554 -2.285 3.836
4 HA LYS 1 HA LYS 1 -11.499 -0.395 2.840
5 HB2 LYS 1 HB2 LYS 1 -10.668 -1.153 5.024
6 HB3 LYS 1 HB3 LYS 1 -9.529 -2.245 4.235
7 HG2 LYS 1 HG2 LYS 1 -8.451 -0.191 3.143
8 HG3 LYS 1 HG3 LYS 1 -9.569 0.804 4.080
9 HD2 LYS 1 HD2 LYS 1 -7.491 0.792 5.242
10 HD3 LYS 1 HD3 LYS 1 -8.589 -0.231 6.182
11 HE2 LYS 1 HE2 LYS 1 -7.568 -2.256 5.098
12 HE3 LYS 1 HE3 LYS 1 -6.474 -1.203 4.187
13 HZ1 LYS 1 HZ1 LYS 1 -6.577 -1.420 7.152
14 HZ2 LYS 1 HZ2 LYS 1 -5.422 -2.070 6.201
15 HZ3 LYS 1 HZ3 LYS 1 -5.562 -0.444 6.324
16 H LEU 2 H LEU 2 -9.182 -3.100 2.226
17 HA LEU 2 HA LEU 2 -8.083 -1.646 -0.005
18 HB2 LEU 2 HB2 LEU 2 -6.867 -2.978 1.781
19 HB3 LEU 2 HB3 LEU 2 -7.437 -4.447 0.969
20 HG LEU 2 HG LEU 2 -6.172 -3.670 -1.082
21 HD11 LEU 2 HD11 LEU 2 -4.419 -1.934 -0.718
22 HD12 LEU 2 HD12 LEU 2 -6.028 -1.231 -0.573
23 HD13 LEU 2 HD13 LEU 2 -5.098 -1.593 0.896
24 HD21 LEU 2 HD21 LEU 2 -3.955 -4.228 -0.178
25 HD22 LEU 2 HD22 LEU 2 -4.542 -3.935 1.479
26 HD23 LEU 2 HD23 LEU 2 -5.204 -5.278 0.523
27 HA PRO 3 HA PRO 3 -10.602 -3.554 -3.108
28 HB2 PRO 3 HB2 PRO 3 -8.410 -3.341 -5.110
29 HB3 PRO 3 HB3 PRO 3 -10.035 -2.596 -5.120
30 HG2 PRO 3 HG2 PRO 3 -7.770 -1.140 -4.615
31 HG3 PRO 3 HG3 PRO 3 -9.321 -0.799 -3.780
32 HD2 PRO 3 HD2 PRO 3 -6.956 -2.400 -2.745
33 HD3 PRO 3 HD3 PRO 3 -7.917 -1.127 -1.949
34 HA PRO 4 HA PRO 4 -9.661 -7.883 -3.702
35 HB2 PRO 4 HB2 PRO 4 -10.535 -7.536 -6.573
36 HB3 PRO 4 HB3 PRO 4 -11.006 -8.802 -5.392
37 HG2 PRO 4 HG2 PRO 4 -12.686 -6.745 -5.909
38 HG3 PRO 4 HG3 PRO 4 -12.420 -7.269 -4.210
39 HD2 PRO 4 HD2 PRO 4 -11.144 -4.942 -5.681
40 HD3 PRO 4 HD3 PRO 4 -11.867 -4.992 -4.040
41 H GLY 5 H GLY 5 -7.940 -9.135 -4.272
42 HA2 GLY 5 HA2 GLY 5 -6.028 -9.881 -5.284
43 HA3 GLY 5 HA3 GLY 5 -6.247 -8.688 -6.578
44 H TRP 6 H TRP 6 -6.218 -6.571 -4.172
45 HA TRP 6 HA TRP 6 -3.283 -6.249 -4.132
46 HB2 TRP 6 HB2 TRP 6 -5.517 -4.470 -3.166
47 HB3 TRP 6 HB3 TRP 6 -3.814 -4.134 -2.893
48 HD1 TRP 6 HD1 TRP 6 -6.442 -4.147 -5.585
49 HE1 TRP 6 HE1 TRP 6 -5.587 -3.001 -7.720
50 HE3 TRP 6 HE3 TRP 6 -1.510 -3.746 -4.330
51 HZ2 TRP 6 HZ2 TRP 6 -3.037 -2.209 -8.821
52 HZ3 TRP 6 HZ3 TRP 6 0.143 -2.844 -5.993
53 HH2 TRP 6 HH2 TRP 6 -0.616 -2.093 -8.221
54 H GLU 7 H GLU 7 -1.980 -6.222 -2.400
55 HA GLU 7 HA GLU 7 -3.004 -6.697 0.338
56 HB2 GLU 7 HB2 GLU 7 -0.877 -8.311 -1.134
57 HB3 GLU 7 HB3 GLU 7 -0.976 -8.265 0.623
58 HG2 GLU 7 HG2 GLU 7 -3.150 -9.286 -1.257
59 HG3 GLU 7 HG3 GLU 7 -2.003 -10.273 -0.369
60 H LYS 8 H LYS 8 -1.664 -5.825 1.974
61 HA LYS 8 HA LYS 8 0.178 -3.699 1.127
62 HB2 LYS 8 HB2 LYS 8 -0.819 -4.612 3.829
63 HB3 LYS 8 HB3 LYS 8 0.580 -3.527 3.677
64 HG2 LYS 8 HG2 LYS 8 -0.707 -1.969 2.296
65 HG3 LYS 8 HG3 LYS 8 -2.119 -3.039 2.371
66 HD2 LYS 8 HD2 LYS 8 -2.538 -1.288 3.900
67 HD3 LYS 8 HD3 LYS 8 -2.095 -2.682 4.907
68 HE2 LYS 8 HE2 LYS 8 0.245 -1.796 5.056
69 HE3 LYS 8 HE3 LYS 8 -0.221 -0.426 4.037
70 HZ1 LYS 8 HZ1 LYS 8 -1.777 0.259 5.774
71 HZ2 LYS 8 HZ2 LYS 8 -1.362 -1.015 6.717
72 HZ3 LYS 8 HZ3 LYS 8 -0.273 0.156 6.394
73 H ARG 9 H ARG 9 2.309 -3.548 1.443
74 HA ARG 9 HA ARG 9 3.950 -5.973 2.022
75 HB2 ARG 9 HB2 ARG 9 3.108 -5.434 -0.554
76 HB3 ARG 9 HB3 ARG 9 4.513 -4.401 -0.478
77 HG2 ARG 9 HG2 ARG 9 5.342 -6.356 -1.396
78 HG3 ARG 9 HG3 ARG 9 5.792 -6.557 0.309
79 HD2 ARG 9 HD2 ARG 9 3.582 -7.900 -1.289
80 HD3 ARG 9 HD3 ARG 9 4.987 -8.651 -0.523
81 HE ARG 9 HE ARG 9 2.683 -7.419 0.981
82 HH11 ARG 9 HH11 ARG 9 4.847 -10.183 0.706
83 HH12 ARG 9 HH12 ARG 9 4.154 -10.927 2.125
84 HH21 ARG 9 HH21 ARG 9 1.941 -8.348 2.715
85 HH22 ARG 9 HH22 ARG 9 2.526 -9.916 3.243
86 H MET 10 H MET 10 6.335 -5.423 1.960
87 HA MET 10 HA MET 10 6.957 -2.660 2.780
88 HB2 MET 10 HB2 MET 10 7.043 -5.017 4.711
89 HB3 MET 10 HB3 MET 10 7.885 -3.478 4.968
90 HG2 MET 10 HG2 MET 10 5.675 -2.305 4.832
91 HG3 MET 10 HG3 MET 10 4.890 -3.895 4.792
92 HE1 MET 10 HE1 MET 10 6.839 -1.243 6.865
93 HE2 MET 10 HE2 MET 10 7.072 -2.031 8.439
94 HE3 MET 10 HE3 MET 10 8.008 -2.573 7.035
95 H PHE 11 H PHE 11 8.996 -2.095 2.669
96 HA PHE 11 HA PHE 11 11.036 -3.878 1.582
97 HB2 PHE 11 HB2 PHE 11 11.006 -0.944 2.299
98 HB3 PHE 11 HB3 PHE 11 12.461 -1.786 1.757
99 HD1 PHE 11 HD1 PHE 11 12.492 -2.944 -0.512
100 HD2 PHE 11 HD2 PHE 11 9.409 -0.169 0.674
101 HE1 PHE 11 HE1 PHE 11 11.881 -2.598 -2.896
102 HE2 PHE 11 HE2 PHE 11 8.813 0.187 -1.711
103 HZ PHE 11 HZ PHE 11 10.044 -1.031 -3.497
104 H ALA 12 H ALA 12 13.176 -4.168 2.463
105 HA ALA 12 HA ALA 12 13.208 -5.120 5.139
106 HB1 ALA 12 HB1 ALA 12 14.670 -5.932 3.322
107 HB2 ALA 12 HB2 ALA 12 15.514 -4.363 3.285
108 HB3 ALA 12 HB3 ALA 12 15.624 -5.406 4.721
109 H ASN 13 H ASN 13 13.782 -1.881 3.946
110 HA ASN 13 HA ASN 13 15.077 -0.931 6.401
111 HB2 ASN 13 HB2 ASN 13 15.149 1.218 5.289
112 HB3 ASN 13 HB3 ASN 13 15.721 -0.059 4.207
113 HD21 ASN 13 HD21 ASN 13 15.388 1.384 2.470
114 H GLY 14 H GLY 14 11.893 -1.737 5.834
115 HA2 GLY 14 HA2 GLY 14 10.153 -1.480 7.362
116 HA3 GLY 14 HA3 GLY 14 10.948 -0.078 8.091
117 H THR 15 H THR 15 10.597 0.023 4.607
118 HA THR 15 HA THR 15 8.559 2.172 4.822
119 HB THR 15 HB THR 15 10.257 1.154 2.511
120 HG1 THR 15 HG1 THR 15 11.529 2.159 3.830
121 HG21 THR 15 HG21 THR 15 9.649 3.260 1.374
122 HG22 THR 15 HG22 THR 15 8.277 2.165 1.556
123 HG23 THR 15 HG23 THR 15 8.430 3.576 2.637
124 H VAL 16 H VAL 16 6.479 1.978 4.125
125 HA VAL 16 HA VAL 16 5.493 -0.688 3.361
126 HB VAL 16 HB VAL 16 3.979 1.823 4.154
127 HG11 VAL 16 HG11 VAL 16 2.147 0.238 4.698
128 HG12 VAL 16 HG12 VAL 16 2.529 0.258 2.978
129 HG13 VAL 16 HG13 VAL 16 3.107 -1.087 3.995
130 HG21 VAL 16 HG21 VAL 16 4.733 -0.550 5.904
131 HG22 VAL 16 HG22 VAL 16 5.412 1.089 6.039
132 HG23 VAL 16 HG23 VAL 16 3.702 0.812 6.370
133 H TYR 17 H TYR 17 4.343 -1.171 1.554
134 HA TYR 17 HA TYR 17 3.431 0.868 -0.336
135 HB2 TYR 17 HB2 TYR 17 4.669 0.086 -2.234
136 HB3 TYR 17 HB3 TYR 17 5.817 0.530 -0.983
137 HD1 TYR 17 HD1 TYR 17 7.031 -1.290 0.311
138 HD2 TYR 17 HD2 TYR 17 4.640 -2.093 -3.191
139 HE1 TYR 17 HE1 TYR 17 8.281 -3.412 -0.071
140 HE2 TYR 17 HE2 TYR 17 5.853 -4.242 -3.528
141 HH TYR 17 HH TYR 17 8.558 -5.226 -1.406
142 H TYR 18 H TYR 18 2.665 -0.625 -2.408
143 HA TYR 18 HA TYR 18 0.900 -2.734 -1.278
144 HB2 TYR 18 HB2 TYR 18 0.259 -0.561 -3.284
145 HB3 TYR 18 HB3 TYR 18 -0.788 -1.937 -2.911
146 HD1 TYR 18 HD1 TYR 18 0.692 1.175 -1.565
147 HD2 TYR 18 HD2 TYR 18 -1.987 -2.119 -0.810
148 HE1 TYR 18 HE1 TYR 18 -0.103 2.315 0.478
149 HE2 TYR 18 HE2 TYR 18 -2.870 -0.933 1.183
150 HH TYR 18 HH TYR 18 -1.542 2.212 2.270
151 H PHE 19 H PHE 19 0.452 -4.545 -2.364
152 HA PHE 19 HA PHE 19 1.816 -5.032 -4.953
153 HB2 PHE 19 HB2 PHE 19 3.399 -5.728 -3.358
154 HB3 PHE 19 HB3 PHE 19 2.150 -6.527 -2.386
155 HD1 PHE 19 HD1 PHE 19 4.028 -6.740 -5.586
156 HD2 PHE 19 HD2 PHE 19 1.570 -8.824 -2.721
157 HE1 PHE 19 HE1 PHE 19 4.545 -8.890 -6.711
158 HE2 PHE 19 HE2 PHE 19 2.137 -10.980 -3.812
159 HZ PHE 19 HZ PHE 19 3.603 -11.020 -5.821
160 H ASN 20 H ASN 20 0.762 -6.151 -6.440
161 HA ASN 20 HA ASN 20 -1.924 -7.210 -5.733
162 HB2 ASN 20 HB2 ASN 20 -1.647 -5.563 -7.581
163 HB3 ASN 20 HB3 ASN 20 -0.650 -6.745 -8.455
164 HD21 ASN 20 HD21 ASN 20 -3.416 -5.487 -8.956
165 HD22 ASN 20 HD22 ASN 20 -4.411 -6.906 -9.297
166 H HIS 21 H HIS 21 -1.688 -9.257 -4.884
167 HA HIS 21 HA HIS 21 0.491 -10.974 -5.740
168 HB2 HIS 21 HB2 HIS 21 0.002 -12.332 -3.996
169 HB3 HIS 21 HB3 HIS 21 -0.633 -10.800 -3.396
170 HD2 HIS 21 HD2 HIS 21 -3.494 -10.580 -4.050
171 HE1 HIS 21 HE1 HIS 21 -4.126 -14.745 -3.405
172 HE2 HIS 21 HE2 HIS 21 -5.271 -12.480 -3.604
173 H ILE 22 H ILE 22 -2.528 -10.442 -7.193
174 HA ILE 22 HA ILE 22 -2.816 -13.098 -8.378
175 HB ILE 22 HB ILE 22 -4.071 -10.462 -9.230
176 HG12 ILE 22 HG12 ILE 22 -4.646 -10.776 -6.892
177 HG13 ILE 22 HG13 ILE 22 -6.049 -11.004 -7.936
178 HG21 ILE 22 HG21 ILE 22 -5.853 -11.933 -10.156
179 HG22 ILE 22 HG22 ILE 22 -4.282 -12.115 -10.943
180 HG23 ILE 22 HG23 ILE 22 -4.832 -13.342 -9.781
181 HD11 ILE 22 HD11 ILE 22 -6.021 -12.627 -6.103
182 HD12 ILE 22 HD12 ILE 22 -5.882 -13.459 -7.659
183 HD13 ILE 22 HD13 ILE 22 -4.443 -13.246 -6.630
184 H THR 23 H THR 23 -1.546 -9.907 -9.296
185 HA THR 23 HA THR 23 -0.679 -10.918 -11.952
186 HB THR 23 HB THR 23 -0.950 -8.773 -12.836
187 HG1 THR 23 HG1 THR 23 -1.724 -7.133 -11.233
188 HG21 THR 23 HG21 THR 23 -3.263 -8.966 -10.865
189 HG22 THR 23 HG22 THR 23 -3.240 -8.184 -12.457
190 HG23 THR 23 HG23 THR 23 -3.131 -9.950 -12.342
191 H ASN 24 H ASN 24 0.736 -10.043 -9.060
192 HA ASN 24 HA ASN 24 2.740 -9.573 -8.301
193 HB2 ASN 24 HB2 ASN 24 3.862 -10.375 -11.002
194 HB3 ASN 24 HB3 ASN 24 4.785 -10.156 -9.510
195 HD21 ASN 24 HD21 ASN 24 3.490 -12.522 -11.407
196 HD22 ASN 24 HD22 ASN 24 3.280 -13.750 -10.153
197 H ALA 25 H ALA 25 1.144 -7.481 -10.004
198 HA ALA 25 HA ALA 25 3.121 -5.425 -10.551
199 HB1 ALA 25 HB1 ALA 25 0.858 -5.464 -11.576
200 HB2 ALA 25 HB2 ALA 25 0.139 -5.173 -9.973
201 HB3 ALA 25 HB3 ALA 25 1.180 -3.947 -10.715
202 H SER 26 H SER 26 3.331 -3.385 -9.331
203 HA SER 26 HA SER 26 2.519 -3.352 -6.522
204 HB2 SER 26 HB2 SER 26 4.810 -3.021 -5.643
205 HB3 SER 26 HB3 SER 26 4.542 -4.638 -6.297
206 HG SER 26 HG SER 26 5.863 -2.491 -7.633
207 H GLN 27 H GLN 27 2.679 -1.359 -5.477
208 HA GLN 27 HA GLN 27 3.724 1.002 -6.861
209 HB2 GLN 27 HB2 GLN 27 1.637 2.159 -7.103
210 HB3 GLN 27 HB3 GLN 27 1.509 0.610 -7.943
211 HG2 GLN 27 HG2 GLN 27 0.201 -0.315 -6.042
212 HG3 GLN 27 HG3 GLN 27 0.340 1.226 -5.202
213 HE21 GLN 27 HE21 GLN 27 -1.607 2.260 -5.291
214 HE22 GLN 27 HE22 GLN 27 -2.616 2.362 -6.747
215 H PHE 28 H PHE 28 3.805 2.892 -5.478
216 HA PHE 28 HA PHE 28 3.785 2.240 -2.621
217 HB2 PHE 28 HB2 PHE 28 5.713 3.306 -3.191
218 HB3 PHE 28 HB3 PHE 28 4.896 4.492 -4.215
219 HD1 PHE 28 HD1 PHE 28 3.811 6.480 -3.304
220 HD2 PHE 28 HD2 PHE 28 5.801 3.643 -0.730
221 HE1 PHE 28 HE1 PHE 28 3.750 8.124 -1.447
222 HE2 PHE 28 HE2 PHE 28 5.752 5.296 1.122
223 HZ PHE 28 HZ PHE 28 4.727 7.538 0.770
224 H GLU 29 H GLU 29 1.807 4.364 -4.613
225 HA GLU 29 HA GLU 29 0.399 5.494 -2.358
226 HB2 GLU 29 HB2 GLU 29 0.574 6.787 -4.334
227 HB3 GLU 29 HB3 GLU 29 -0.010 5.475 -5.347
228 HG2 GLU 29 HG2 GLU 29 -1.649 7.198 -5.237
229 HG3 GLU 29 HG3 GLU 29 -2.278 5.733 -4.507
230 H ARG 30 H ARG 30 -1.638 5.084 -1.555
231 HA ARG 30 HA ARG 30 -2.384 2.342 -1.388
232 HB2 ARG 30 HB2 ARG 30 -2.641 3.817 0.446
233 HB3 ARG 30 HB3 ARG 30 -3.739 4.877 -0.425
234 HG2 ARG 30 HG2 ARG 30 -4.466 1.963 0.024
235 HG3 ARG 30 HG3 ARG 30 -4.635 3.133 1.340
236 HD2 ARG 30 HD2 ARG 30 -6.479 4.083 0.488
237 HD3 ARG 30 HD3 ARG 30 -5.817 4.180 -1.127
238 HE ARG 30 HE ARG 30 -6.613 2.019 -1.674
239 HH11 ARG 30 HH11 ARG 30 -8.386 0.893 -1.833
240 HH12 ARG 30 HH12 ARG 30 -9.451 0.641 -0.446
241 HH21 ARG 30 HH21 ARG 30 -7.749 2.855 1.559
242 HH22 ARG 30 HH22 ARG 30 -9.176 1.865 1.357
243 HA PRO 31 HA PRO 31 -4.572 2.127 -5.210
244 HB2 PRO 31 HB2 PRO 31 -5.515 -0.455 -5.130
245 HB3 PRO 31 HB3 PRO 31 -3.796 -0.013 -5.341
246 HG2 PRO 31 HG2 PRO 31 -5.182 -0.794 -2.758
247 HG3 PRO 31 HG3 PRO 31 -3.640 -1.419 -3.429
248 HD2 PRO 31 HD2 PRO 31 -3.706 0.535 -1.563
249 HD3 PRO 31 HD3 PRO 31 -2.512 0.576 -2.899
250 H SER 32 H SER 32 -6.424 3.100 -5.743
251 HA SER 32 HA SER 32 -8.723 3.198 -3.982
252 HB2 SER 32 HB2 SER 32 -8.308 4.213 -6.820
253 HB3 SER 32 HB3 SER 32 -9.704 4.590 -5.793
254 HG SER 32 HG SER 32 -8.084 6.203 -5.680
255 H GLY 33 H GLY 33 -7.905 1.025 -6.556
256 HA2 GLY 33 HA2 GLY 33 -10.272 -0.584 -6.337
257 HA3 GLY 33 HA3 GLY 33 -10.369 0.437 -7.770
258 H1B XYP 101 H1 XYP 34 12.585 2.207 1.886
259 H2B XYP 101 H2 XYP 34 15.234 3.046 0.588
260 H3B XYP 101 H3 XYP 34 12.403 4.099 0.096
261 H4B XYP 101 H4 XYP 34 14.165 2.415 -1.755
262 H5B1 XYP 101 H5E XYP 34 12.540 0.597 -1.407
263 H5B2 XYP 101 H5A XYP 34 11.596 1.609 -0.295
264 HO2B XYP 101 H2O XYP 34 14.675 3.902 2.729
265 HO3B XYP 101 H3O XYP 34 14.221 5.573 -0.206
266 HO4B XYP 101 H4O XYP 34 12.654 4.010 -2.632
Start of MODEL 8
1 H1 LYS 1 H1 LYS 1 -12.714 -2.118 1.913
2 H2 LYS 1 H2 LYS 1 -12.659 -1.944 3.535
3 H3 LYS 1 H3 LYS 1 -11.775 -3.114 2.813
4 HA LYS 1 HA LYS 1 -11.408 -0.210 2.485
5 HB2 LYS 1 HB2 LYS 1 -10.682 -0.837 4.694
6 HB3 LYS 1 HB3 LYS 1 -9.739 -2.196 4.071
7 HG2 LYS 1 HG2 LYS 1 -8.217 -0.622 2.894
8 HG3 LYS 1 HG3 LYS 1 -9.182 0.748 3.474
9 HD2 LYS 1 HD2 LYS 1 -8.586 0.237 5.785
10 HD3 LYS 1 HD3 LYS 1 -7.767 -1.261 5.284
11 HE2 LYS 1 HE2 LYS 1 -6.144 0.026 3.952
12 HE3 LYS 1 HE3 LYS 1 -6.972 1.537 4.366
13 HZ1 LYS 1 HZ1 LYS 1 -5.647 -0.257 6.329
14 HZ2 LYS 1 HZ2 LYS 1 -5.063 1.182 5.812
15 HZ3 LYS 1 HZ3 LYS 1 -6.426 1.129 6.704
16 H LEU 2 H LEU 2 -9.328 -3.126 2.019
17 HA LEU 2 HA LEU 2 -8.067 -1.784 -0.217
18 HB2 LEU 2 HB2 LEU 2 -6.996 -3.070 1.746
19 HB3 LEU 2 HB3 LEU 2 -7.507 -4.542 0.904
20 HG LEU 2 HG LEU 2 -6.143 -3.712 -1.099
21 HD11 LEU 2 HD11 LEU 2 -4.348 -2.087 -0.597
22 HD12 LEU 2 HD12 LEU 2 -5.929 -1.313 -0.460
23 HD13 LEU 2 HD13 LEU 2 -5.052 -1.780 1.013
24 HD21 LEU 2 HD21 LEU 2 -4.000 -4.411 -0.083
25 HD22 LEU 2 HD22 LEU 2 -4.698 -4.189 1.542
26 HD23 LEU 2 HD23 LEU 2 -5.338 -5.443 0.461
27 HA PRO 3 HA PRO 3 -10.619 -3.818 -3.238
28 HB2 PRO 3 HB2 PRO 3 -9.191 -3.353 -5.573
29 HB3 PRO 3 HB3 PRO 3 -10.179 -2.135 -4.708
30 HG2 PRO 3 HG2 PRO 3 -7.190 -2.581 -4.523
31 HG3 PRO 3 HG3 PRO 3 -8.073 -1.043 -4.706
32 HD2 PRO 3 HD2 PRO 3 -7.170 -1.900 -2.308
33 HD3 PRO 3 HD3 PRO 3 -8.749 -1.068 -2.474
34 HA PRO 4 HA PRO 4 -9.524 -7.969 -3.889
35 HB2 PRO 4 HB2 PRO 4 -10.218 -7.687 -6.820
36 HB3 PRO 4 HB3 PRO 4 -10.713 -8.963 -5.659
37 HG2 PRO 4 HG2 PRO 4 -12.426 -6.964 -6.256
38 HG3 PRO 4 HG3 PRO 4 -12.213 -7.459 -4.542
39 HD2 PRO 4 HD2 PRO 4 -10.963 -5.110 -5.991
40 HD3 PRO 4 HD3 PRO 4 -11.733 -5.172 -4.376
41 H GLY 5 H GLY 5 -7.822 -9.280 -4.294
42 HA2 GLY 5 HA2 GLY 5 -5.872 -10.116 -5.154
43 HA3 GLY 5 HA3 GLY 5 -5.922 -8.904 -6.451
44 H TRP 6 H TRP 6 -6.015 -6.726 -4.195
45 HA TRP 6 HA TRP 6 -3.128 -6.407 -4.008
46 HB2 TRP 6 HB2 TRP 6 -5.421 -4.723 -3.021
47 HB3 TRP 6 HB3 TRP 6 -3.735 -4.323 -2.744
48 HD1 TRP 6 HD1 TRP 6 -6.364 -4.364 -5.432
49 HE1 TRP 6 HE1 TRP 6 -5.544 -3.094 -7.518
50 HE3 TRP 6 HE3 TRP 6 -1.449 -3.932 -4.168
51 HZ2 TRP 6 HZ2 TRP 6 -2.980 -2.281 -8.614
52 HZ3 TRP 6 HZ3 TRP 6 0.193 -2.966 -5.777
53 HH2 TRP 6 HH2 TRP 6 -0.560 -2.146 -7.997
54 H GLU 7 H GLU 7 -1.815 -6.264 -2.254
55 HA GLU 7 HA GLU 7 -2.829 -6.828 0.474
56 HB2 GLU 7 HB2 GLU 7 -2.016 -8.975 -0.740
57 HB3 GLU 7 HB3 GLU 7 -0.419 -8.217 -0.755
58 HG2 GLU 7 HG2 GLU 7 -0.694 -8.015 1.819
59 HG3 GLU 7 HG3 GLU 7 -2.104 -9.052 1.644
60 H LYS 8 H LYS 8 -1.602 -5.754 2.071
61 HA LYS 8 HA LYS 8 0.313 -3.707 1.224
62 HB2 LYS 8 HB2 LYS 8 -0.765 -4.570 3.917
63 HB3 LYS 8 HB3 LYS 8 0.650 -3.506 3.787
64 HG2 LYS 8 HG2 LYS 8 -0.584 -1.945 2.363
65 HG3 LYS 8 HG3 LYS 8 -2.014 -2.994 2.428
66 HD2 LYS 8 HD2 LYS 8 -2.431 -1.234 3.954
67 HD3 LYS 8 HD3 LYS 8 -1.999 -2.624 4.969
68 HE2 LYS 8 HE2 LYS 8 0.367 -1.756 5.071
69 HE3 LYS 8 HE3 LYS 8 -0.128 -0.362 4.102
70 HZ1 LYS 8 HZ1 LYS 8 -0.118 0.141 6.484
71 HZ2 LYS 8 HZ2 LYS 8 -1.635 0.273 5.904
72 HZ3 LYS 8 HZ3 LYS 8 -1.206 -1.035 6.790
73 H ARG 9 H ARG 9 2.418 -3.594 1.566
74 HA ARG 9 HA ARG 9 4.008 -5.897 2.598
75 HB2 ARG 9 HB2 ARG 9 4.458 -4.506 -0.070
76 HB3 ARG 9 HB3 ARG 9 5.595 -5.643 0.658
77 HG2 ARG 9 HG2 ARG 9 2.819 -6.276 -0.288
78 HG3 ARG 9 HG3 ARG 9 4.320 -6.667 -1.142
79 HD2 ARG 9 HD2 ARG 9 5.022 -8.167 0.673
80 HD3 ARG 9 HD3 ARG 9 3.575 -7.757 1.606
81 HE ARG 9 HE ARG 9 2.247 -9.114 0.277
82 HH11 ARG 9 HH11 ARG 9 5.432 -9.086 -1.221
83 HH12 ARG 9 HH12 ARG 9 5.086 -10.560 -2.089
84 HH21 ARG 9 HH21 ARG 9 1.911 -10.861 -0.756
85 HH22 ARG 9 HH22 ARG 9 3.116 -11.581 -1.831
86 H MET 10 H MET 10 6.316 -5.321 2.623
87 HA MET 10 HA MET 10 6.982 -2.519 3.084
88 HB2 MET 10 HB2 MET 10 5.811 -3.235 5.225
89 HB3 MET 10 HB3 MET 10 7.154 -4.363 5.494
90 HG2 MET 10 HG2 MET 10 8.718 -2.368 5.427
91 HG3 MET 10 HG3 MET 10 7.291 -1.333 5.260
92 HE1 MET 10 HE1 MET 10 8.185 -4.484 7.595
93 HE2 MET 10 HE2 MET 10 9.592 -3.397 7.554
94 HE3 MET 10 HE3 MET 10 8.658 -3.591 9.053
95 H PHE 11 H PHE 11 9.073 -2.081 2.844
96 HA PHE 11 HA PHE 11 11.023 -4.115 2.167
97 HB2 PHE 11 HB2 PHE 11 11.119 -1.114 2.407
98 HB3 PHE 11 HB3 PHE 11 12.568 -2.074 2.101
99 HD1 PHE 11 HD1 PHE 11 9.641 -0.570 0.592
100 HD2 PHE 11 HD2 PHE 11 12.704 -3.557 0.045
101 HE1 PHE 11 HE1 PHE 11 9.205 -0.570 -1.852
102 HE2 PHE 11 HE2 PHE 11 12.260 -3.560 -2.399
103 HZ PHE 11 HZ PHE 11 10.513 -2.065 -3.351
104 H ALA 12 H ALA 12 13.141 -4.393 3.119
105 HA ALA 12 HA ALA 12 13.109 -4.897 5.918
106 HB1 ALA 12 HB1 ALA 12 14.541 -6.065 4.280
107 HB2 ALA 12 HB2 ALA 12 15.460 -4.567 3.999
108 HB3 ALA 12 HB3 ALA 12 15.510 -5.361 5.587
109 H ASN 13 H ASN 13 13.817 -1.930 4.224
110 HA ASN 13 HA ASN 13 15.170 -0.626 6.475
111 HB2 ASN 13 HB2 ASN 13 15.270 1.302 5.006
112 HB3 ASN 13 HB3 ASN 13 15.778 -0.151 4.135
113 HD21 ASN 13 HD21 ASN 13 15.397 1.271 2.265
114 H GLY 14 H GLY 14 11.930 -1.393 6.018
115 HA2 GLY 14 HA2 GLY 14 10.186 -0.821 7.460
116 HA3 GLY 14 HA3 GLY 14 11.035 0.645 7.970
117 H THR 15 H THR 15 10.763 0.228 4.507
118 HA THR 15 HA THR 15 8.794 2.447 4.330
119 HB THR 15 HB THR 15 10.486 1.028 2.245
120 HG1 THR 15 HG1 THR 15 11.710 2.156 3.596
121 HG21 THR 15 HG21 THR 15 10.023 2.905 0.770
122 HG22 THR 15 HG22 THR 15 8.550 2.018 1.148
123 HG23 THR 15 HG23 THR 15 8.869 3.576 1.957
124 H VAL 16 H VAL 16 6.687 2.124 3.802
125 HA VAL 16 HA VAL 16 5.733 -0.640 3.329
126 HB VAL 16 HB VAL 16 4.372 1.964 4.108
127 HG11 VAL 16 HG11 VAL 16 3.080 -0.774 3.778
128 HG12 VAL 16 HG12 VAL 16 2.334 0.639 4.554
129 HG13 VAL 16 HG13 VAL 16 2.715 0.692 2.836
130 HG21 VAL 16 HG21 VAL 16 5.720 0.879 5.892
131 HG22 VAL 16 HG22 VAL 16 3.992 0.804 6.252
132 HG23 VAL 16 HG23 VAL 16 4.828 -0.637 5.638
133 H TYR 17 H TYR 17 4.485 -1.272 1.619
134 HA TYR 17 HA TYR 17 3.698 0.576 -0.519
135 HB2 TYR 17 HB2 TYR 17 4.876 -0.538 -2.297
136 HB3 TYR 17 HB3 TYR 17 6.030 0.046 -1.113
137 HD1 TYR 17 HD1 TYR 17 7.249 -1.555 0.380
138 HD2 TYR 17 HD2 TYR 17 4.688 -2.924 -2.823
139 HE1 TYR 17 HE1 TYR 17 8.465 -3.726 0.318
140 HE2 TYR 17 HE2 TYR 17 5.919 -5.074 -2.887
141 HH TYR 17 HH TYR 17 8.694 -5.734 -0.730
142 H TYR 18 H TYR 18 2.814 -0.961 -2.398
143 HA TYR 18 HA TYR 18 1.017 -3.012 -1.204
144 HB2 TYR 18 HB2 TYR 18 0.380 -0.850 -3.240
145 HB3 TYR 18 HB3 TYR 18 -0.698 -2.176 -2.784
146 HD1 TYR 18 HD1 TYR 18 0.892 0.960 -1.604
147 HD2 TYR 18 HD2 TYR 18 -1.860 -2.230 -0.671
148 HE1 TYR 18 HE1 TYR 18 0.079 2.244 0.362
149 HE2 TYR 18 HE2 TYR 18 -2.733 -0.920 1.235
150 HH TYR 18 HH TYR 18 -2.603 1.041 2.415
151 H PHE 19 H PHE 19 0.560 -4.817 -2.349
152 HA PHE 19 HA PHE 19 1.746 -5.165 -5.044
153 HB2 PHE 19 HB2 PHE 19 3.454 -5.965 -3.648
154 HB3 PHE 19 HB3 PHE 19 2.291 -6.807 -2.607
155 HD1 PHE 19 HD1 PHE 19 1.526 -9.034 -3.069
156 HD2 PHE 19 HD2 PHE 19 3.953 -6.899 -5.925
157 HE1 PHE 19 HE1 PHE 19 1.933 -11.144 -4.310
158 HE2 PHE 19 HE2 PHE 19 4.328 -9.003 -7.183
159 HZ PHE 19 HZ PHE 19 3.315 -11.136 -6.376
160 H ASN 20 H ASN 20 0.592 -6.233 -6.515
161 HA ASN 20 HA ASN 20 -2.006 -7.392 -5.646
162 HB2 ASN 20 HB2 ASN 20 -1.907 -5.624 -7.420
163 HB3 ASN 20 HB3 ASN 20 -1.032 -6.771 -8.454
164 HD21 ASN 20 HD21 ASN 20 -3.928 -5.484 -8.323
165 HD22 ASN 20 HD22 ASN 20 -4.930 -6.890 -8.683
166 H HIS 21 H HIS 21 -1.933 -9.513 -5.155
167 HA HIS 21 HA HIS 21 0.269 -11.171 -6.117
168 HB2 HIS 21 HB2 HIS 21 -0.141 -12.498 -4.379
169 HB3 HIS 21 HB3 HIS 21 -1.026 -11.105 -3.769
170 HD2 HIS 21 HD2 HIS 21 -3.822 -11.228 -4.210
171 HE1 HIS 21 HE1 HIS 21 -3.938 -15.487 -4.351
172 HE2 HIS 21 HE2 HIS 21 -5.342 -13.381 -4.085
173 H ILE 22 H ILE 22 -2.819 -10.518 -7.426
174 HA ILE 22 HA ILE 22 -3.140 -13.055 -8.852
175 HB ILE 22 HB ILE 22 -4.451 -10.359 -9.367
176 HG12 ILE 22 HG12 ILE 22 -4.883 -10.955 -7.037
177 HG13 ILE 22 HG13 ILE 22 -6.343 -10.992 -8.028
178 HG21 ILE 22 HG21 ILE 22 -6.281 -11.743 -10.340
179 HG22 ILE 22 HG22 ILE 22 -4.758 -11.829 -11.229
180 HG23 ILE 22 HG23 ILE 22 -5.235 -13.174 -10.171
181 HD11 ILE 22 HD11 ILE 22 -6.289 -13.458 -8.055
182 HD12 ILE 22 HD12 ILE 22 -4.773 -13.446 -7.121
183 HD13 ILE 22 HD13 ILE 22 -6.276 -12.827 -6.400
184 H THR 23 H THR 23 -1.966 -9.769 -9.508
185 HA THR 23 HA THR 23 -1.235 -10.483 -12.296
186 HB THR 23 HB THR 23 -1.595 -8.270 -12.932
187 HG1 THR 23 HG1 THR 23 -2.251 -6.800 -11.138
188 HG21 THR 23 HG21 THR 23 -3.734 -9.522 -12.382
189 HG22 THR 23 HG22 THR 23 -3.759 -8.659 -10.825
190 HG23 THR 23 HG23 THR 23 -3.854 -7.755 -12.346
191 H ASN 24 H ASN 24 0.363 -9.923 -9.420
192 HA ASN 24 HA ASN 24 2.414 -9.479 -8.755
193 HB2 ASN 24 HB2 ASN 24 3.294 -10.107 -11.592
194 HB3 ASN 24 HB3 ASN 24 4.374 -9.897 -10.210
195 HD21 ASN 24 HD21 ASN 24 4.575 -11.556 -8.669
196 HD22 ASN 24 HD22 ASN 24 3.815 -13.130 -8.923
197 H ALA 25 H ALA 25 0.706 -7.268 -10.180
198 HA ALA 25 HA ALA 25 2.618 -5.164 -10.718
199 HB1 ALA 25 HB1 ALA 25 -0.312 -5.005 -9.895
200 HB2 ALA 25 HB2 ALA 25 0.653 -3.701 -10.610
201 HB3 ALA 25 HB3 ALA 25 0.289 -5.152 -11.563
202 H SER 26 H SER 26 2.904 -3.209 -9.386
203 HA SER 26 HA SER 26 2.321 -3.382 -6.535
204 HB2 SER 26 HB2 SER 26 4.642 -3.000 -5.787
205 HB3 SER 26 HB3 SER 26 4.385 -4.601 -6.480
206 HG SER 26 HG SER 26 5.371 -3.916 -8.375
207 H GLN 27 H GLN 27 2.534 -1.485 -5.371
208 HA GLN 27 HA GLN 27 3.094 1.057 -6.804
209 HB2 GLN 27 HB2 GLN 27 0.404 0.219 -5.652
210 HB3 GLN 27 HB3 GLN 27 0.902 1.913 -5.713
211 HG2 GLN 27 HG2 GLN 27 1.120 1.875 -8.099
212 HG3 GLN 27 HG3 GLN 27 0.714 0.145 -8.161
213 HE21 GLN 27 HE21 GLN 27 -1.090 2.280 -5.893
214 HE22 GLN 27 HE22 GLN 27 -2.525 2.342 -6.922
215 H PHE 28 H PHE 28 3.740 2.721 -5.508
216 HA PHE 28 HA PHE 28 4.042 2.210 -2.617
217 HB2 PHE 28 HB2 PHE 28 5.982 3.100 -3.450
218 HB3 PHE 28 HB3 PHE 28 5.141 4.268 -4.476
219 HD1 PHE 28 HD1 PHE 28 6.242 3.561 -1.005
220 HD2 PHE 28 HD2 PHE 28 4.325 6.392 -3.636
221 HE1 PHE 28 HE1 PHE 28 6.453 5.325 0.734
222 HE2 PHE 28 HE2 PHE 28 4.509 8.144 -1.892
223 HZ PHE 28 HZ PHE 28 5.587 7.618 0.296
224 H GLU 29 H GLU 29 2.008 4.122 -4.696
225 HA GLU 29 HA GLU 29 0.641 5.441 -2.438
226 HB2 GLU 29 HB2 GLU 29 1.080 6.715 -4.437
227 HB3 GLU 29 HB3 GLU 29 0.203 5.542 -5.440
228 HG2 GLU 29 HG2 GLU 29 -1.902 6.088 -4.304
229 HG3 GLU 29 HG3 GLU 29 -1.051 7.159 -3.184
230 H ARG 30 H ARG 30 -1.342 4.954 -1.678
231 HA ARG 30 HA ARG 30 -2.087 2.275 -1.575
232 HB2 ARG 30 HB2 ARG 30 -2.409 3.770 0.218
233 HB3 ARG 30 HB3 ARG 30 -3.482 4.816 -0.697
234 HG2 ARG 30 HG2 ARG 30 -4.241 1.927 -0.166
235 HG3 ARG 30 HG3 ARG 30 -4.428 3.152 1.097
236 HD2 ARG 30 HD2 ARG 30 -6.232 4.103 0.156
237 HD3 ARG 30 HD3 ARG 30 -5.540 4.092 -1.452
238 HE ARG 30 HE ARG 30 -6.352 1.911 -1.881
239 HH11 ARG 30 HH11 ARG 30 -8.972 1.967 1.105
240 HH12 ARG 30 HH12 ARG 30 -7.564 2.990 1.255
241 HH21 ARG 30 HH21 ARG 30 -8.086 0.757 -1.982
242 HH22 ARG 30 HH22 ARG 30 -9.203 0.608 -0.621
243 HA PRO 31 HA PRO 31 -4.228 1.803 -5.378
244 HB2 PRO 31 HB2 PRO 31 -5.145 -0.774 -5.171
245 HB3 PRO 31 HB3 PRO 31 -3.417 -0.330 -5.331
246 HG2 PRO 31 HG2 PRO 31 -4.923 -0.940 -2.763
247 HG3 PRO 31 HG3 PRO 31 -3.360 -1.622 -3.325
248 HD2 PRO 31 HD2 PRO 31 -3.450 0.457 -1.614
249 HD3 PRO 31 HD3 PRO 31 -2.231 0.405 -2.925
250 H SER 32 H SER 32 -6.100 2.557 -6.137
251 HA SER 32 HA SER 32 -8.606 2.434 -4.590
252 HB2 SER 32 HB2 SER 32 -9.481 3.828 -6.426
253 HB3 SER 32 HB3 SER 32 -8.020 4.508 -5.690
254 HG SER 32 HG SER 32 -7.957 4.565 -7.985
255 H GLY 33 H GLY 33 -7.128 0.675 -7.226
256 HA2 GLY 33 HA2 GLY 33 -8.879 -1.525 -7.228
257 HA3 GLY 33 HA3 GLY 33 -9.487 -0.426 -8.464
258 H1B XYP 101 H1 XYP 34 12.507 1.516 1.544
259 H2B XYP 101 H2 XYP 34 14.903 3.172 0.598
260 H3B XYP 101 H3 XYP 34 11.967 3.486 -0.179
261 H4B XYP 101 H4 XYP 34 14.236 2.374 -1.901
262 H5B1 XYP 101 H5E XYP 34 13.026 0.204 -1.766
263 H5B2 XYP 101 H5A XYP 34 11.843 0.921 -0.659
264 HO2B XYP 101 H2O XYP 34 12.614 3.692 2.246
265 HO3B XYP 101 H3O XYP 34 13.392 5.365 -0.247
266 HO4B XYP 101 H4O XYP 34 12.464 3.600 -2.868
Start of MODEL 9
1 H1 LYS 1 H1 LYS 1 -11.525 -3.775 3.062
2 H2 LYS 1 H2 LYS 1 -12.472 -2.635 2.363
3 H3 LYS 1 H3 LYS 1 -12.499 -2.838 3.983
4 HA LYS 1 HA LYS 1 -11.289 -0.863 3.430
5 HB2 LYS 1 HB2 LYS 1 -10.699 -2.200 5.432
6 HB3 LYS 1 HB3 LYS 1 -9.445 -3.029 4.531
7 HG2 LYS 1 HG2 LYS 1 -9.543 -0.017 5.035
8 HG3 LYS 1 HG3 LYS 1 -8.701 -1.187 6.050
9 HD2 LYS 1 HD2 LYS 1 -7.342 -1.838 3.971
10 HD3 LYS 1 HD3 LYS 1 -7.973 -0.364 3.216
11 HE2 LYS 1 HE2 LYS 1 -6.356 -0.547 5.792
12 HE3 LYS 1 HE3 LYS 1 -5.752 -0.030 4.214
13 HZ1 LYS 1 HZ1 LYS 1 -7.303 1.860 4.323
14 HZ2 LYS 1 HZ2 LYS 1 -7.830 1.387 5.799
15 HZ3 LYS 1 HZ3 LYS 1 -6.288 1.874 5.601
16 H LEU 2 H LEU 2 -8.993 -3.479 2.456
17 HA LEU 2 HA LEU 2 -8.010 -1.806 0.284
18 HB2 LEU 2 HB2 LEU 2 -6.656 -3.186 1.955
19 HB3 LEU 2 HB3 LEU 2 -7.197 -4.620 1.066
20 HG LEU 2 HG LEU 2 -6.071 -3.628 -0.983
21 HD11 LEU 2 HD11 LEU 2 -4.316 -1.877 -0.488
22 HD12 LEU 2 HD12 LEU 2 -5.961 -1.244 -0.354
23 HD13 LEU 2 HD13 LEU 2 -5.035 -1.649 1.112
24 HD21 LEU 2 HD21 LEU 2 -3.803 -4.197 -0.214
25 HD22 LEU 2 HD22 LEU 2 -4.328 -4.038 1.483
26 HD23 LEU 2 HD23 LEU 2 -4.999 -5.323 0.461
27 HA PRO 3 HA PRO 3 -10.640 -3.732 -2.749
28 HB2 PRO 3 HB2 PRO 3 -8.509 -3.353 -4.810
29 HB3 PRO 3 HB3 PRO 3 -10.198 -2.765 -4.804
30 HG2 PRO 3 HG2 PRO 3 -8.102 -1.104 -4.331
31 HG3 PRO 3 HG3 PRO 3 -9.648 -0.926 -3.437
32 HD2 PRO 3 HD2 PRO 3 -7.091 -2.266 -2.486
33 HD3 PRO 3 HD3 PRO 3 -8.185 -1.136 -1.638
34 HA PRO 4 HA PRO 4 -9.566 -8.007 -3.477
35 HB2 PRO 4 HB2 PRO 4 -10.584 -7.617 -6.295
36 HB3 PRO 4 HB3 PRO 4 -10.943 -8.939 -5.136
37 HG2 PRO 4 HG2 PRO 4 -12.730 -6.943 -5.496
38 HG3 PRO 4 HG3 PRO 4 -12.350 -7.502 -3.831
39 HD2 PRO 4 HD2 PRO 4 -11.256 -5.083 -5.297
40 HD3 PRO 4 HD3 PRO 4 -11.884 -5.210 -3.622
41 H GLY 5 H GLY 5 -7.850 -9.202 -4.146
42 HA2 GLY 5 HA2 GLY 5 -6.017 -9.913 -5.347
43 HA3 GLY 5 HA3 GLY 5 -6.250 -8.592 -6.506
44 H TRP 6 H TRP 6 -6.115 -6.532 -4.239
45 HA TRP 6 HA TRP 6 -3.196 -6.310 -4.101
46 HB2 TRP 6 HB2 TRP 6 -5.388 -4.534 -3.029
47 HB3 TRP 6 HB3 TRP 6 -3.670 -4.210 -2.856
48 HD1 TRP 6 HD1 TRP 6 -6.486 -4.068 -5.337
49 HE1 TRP 6 HE1 TRP 6 -5.761 -2.904 -7.497
50 HE3 TRP 6 HE3 TRP 6 -1.457 -3.788 -4.432
51 HZ2 TRP 6 HZ2 TRP 6 -3.266 -2.157 -8.779
52 HZ3 TRP 6 HZ3 TRP 6 0.082 -2.805 -6.153
53 HH2 TRP 6 HH2 TRP 6 -0.816 -2.036 -8.325
54 H GLU 7 H GLU 7 -1.894 -6.298 -2.308
55 HA GLU 7 HA GLU 7 -3.010 -6.732 0.388
56 HB2 GLU 7 HB2 GLU 7 -2.503 -8.991 -0.778
57 HB3 GLU 7 HB3 GLU 7 -0.800 -8.531 -0.669
58 HG2 GLU 7 HG2 GLU 7 -1.037 -8.359 1.810
59 HG3 GLU 7 HG3 GLU 7 -2.758 -8.734 1.673
60 H LYS 8 H LYS 8 -1.638 -5.947 2.035
61 HA LYS 8 HA LYS 8 0.248 -3.894 1.250
62 HB2 LYS 8 HB2 LYS 8 -0.738 -4.915 3.917
63 HB3 LYS 8 HB3 LYS 8 0.625 -3.786 3.810
64 HG2 LYS 8 HG2 LYS 8 -0.700 -2.196 2.523
65 HG3 LYS 8 HG3 LYS 8 -2.086 -3.304 2.514
66 HD2 LYS 8 HD2 LYS 8 -2.556 -1.680 4.181
67 HD3 LYS 8 HD3 LYS 8 -2.072 -3.133 5.074
68 HE2 LYS 8 HE2 LYS 8 0.252 -2.185 5.264
69 HE3 LYS 8 HE3 LYS 8 -0.291 -0.744 4.389
70 HZ1 LYS 8 HZ1 LYS 8 -1.845 -0.307 6.216
71 HZ2 LYS 8 HZ2 LYS 8 -1.352 -1.647 7.016
72 HZ3 LYS 8 HZ3 LYS 8 -0.323 -0.400 6.797
73 H ARG 9 H ARG 9 2.346 -3.665 1.564
74 HA ARG 9 HA ARG 9 4.078 -5.947 2.411
75 HB2 ARG 9 HB2 ARG 9 4.386 -4.310 -0.137
76 HB3 ARG 9 HB3 ARG 9 5.624 -5.401 0.485
77 HG2 ARG 9 HG2 ARG 9 2.887 -6.219 -0.440
78 HG3 ARG 9 HG3 ARG 9 4.384 -6.368 -1.378
79 HD2 ARG 9 HD2 ARG 9 5.321 -7.927 0.233
80 HD3 ARG 9 HD3 ARG 9 3.911 -7.768 1.291
81 HE ARG 9 HE ARG 9 4.073 -9.231 -1.285
82 HH11 ARG 9 HH11 ARG 9 2.534 -10.878 -1.575
83 HH12 ARG 9 HH12 ARG 9 1.146 -10.907 -0.486
84 HH21 ARG 9 HH21 ARG 9 1.907 -8.235 1.358
85 HH22 ARG 9 HH22 ARG 9 0.878 -9.631 1.014
86 H MET 10 H MET 10 6.345 -5.268 2.484
87 HA MET 10 HA MET 10 6.909 -2.490 3.169
88 HB2 MET 10 HB2 MET 10 5.816 -3.327 5.248
89 HB3 MET 10 HB3 MET 10 7.077 -4.569 5.381
90 HG2 MET 10 HG2 MET 10 8.777 -2.704 5.479
91 HG3 MET 10 HG3 MET 10 7.436 -1.549 5.540
92 HE1 MET 10 HE1 MET 10 5.304 -2.741 7.470
93 HE2 MET 10 HE2 MET 10 5.883 -2.237 9.070
94 HE3 MET 10 HE3 MET 10 5.968 -1.105 7.707
95 H PHE 11 H PHE 11 8.958 -1.972 2.825
96 HA PHE 11 HA PHE 11 10.943 -3.885 1.944
97 HB2 PHE 11 HB2 PHE 11 10.955 -0.896 2.340
98 HB3 PHE 11 HB3 PHE 11 12.403 -1.790 1.877
99 HD1 PHE 11 HD1 PHE 11 9.448 -0.190 0.626
100 HD2 PHE 11 HD2 PHE 11 12.326 -3.289 -0.225
101 HE1 PHE 11 HE1 PHE 11 8.858 -0.077 -1.782
102 HE2 PHE 11 HE2 PHE 11 11.717 -3.187 -2.632
103 HZ PHE 11 HZ PHE 11 9.985 -1.579 -3.414
104 H ALA 12 H ALA 12 13.163 -4.040 2.725
105 HA ALA 12 HA ALA 12 13.341 -4.798 5.452
106 HB1 ALA 12 HB1 ALA 12 14.764 -5.670 3.634
107 HB2 ALA 12 HB2 ALA 12 15.541 -4.077 3.463
108 HB3 ALA 12 HB3 ALA 12 15.749 -5.018 4.956
109 H ASN 13 H ASN 13 13.760 -1.623 4.033
110 HA ASN 13 HA ASN 13 15.057 -0.477 6.414
111 HB2 ASN 13 HB2 ASN 13 15.080 1.599 5.139
112 HB3 ASN 13 HB3 ASN 13 15.734 0.253 4.196
113 HD21 ASN 13 HD21 ASN 13 15.409 1.552 2.342
114 H GLY 14 H GLY 14 11.903 -1.389 5.915
115 HA2 GLY 14 HA2 GLY 14 10.135 -1.027 7.376
116 HA3 GLY 14 HA3 GLY 14 10.910 0.430 8.015
117 H THR 15 H THR 15 10.595 0.275 4.527
118 HA THR 15 HA THR 15 8.545 2.424 4.565
119 HB THR 15 HB THR 15 10.252 1.240 2.340
120 HG1 THR 15 HG1 THR 15 11.536 2.337 3.559
121 HG21 THR 15 HG21 THR 15 8.411 3.654 2.300
122 HG22 THR 15 HG22 THR 15 9.632 3.265 1.059
123 HG23 THR 15 HG23 THR 15 8.271 2.169 1.320
124 H VAL 16 H VAL 16 6.445 2.102 3.973
125 HA VAL 16 HA VAL 16 5.558 -0.665 3.406
126 HB VAL 16 HB VAL 16 4.136 1.879 4.269
127 HG11 VAL 16 HG11 VAL 16 2.508 0.618 2.947
128 HG12 VAL 16 HG12 VAL 16 2.907 -0.874 3.832
129 HG13 VAL 16 HG13 VAL 16 2.126 0.489 4.662
130 HG21 VAL 16 HG21 VAL 16 3.782 0.629 6.368
131 HG22 VAL 16 HG22 VAL 16 4.650 -0.767 5.692
132 HG23 VAL 16 HG23 VAL 16 5.508 0.758 6.009
133 H TYR 17 H TYR 17 4.347 -1.276 1.668
134 HA TYR 17 HA TYR 17 3.485 0.617 -0.400
135 HB2 TYR 17 HB2 TYR 17 4.726 -0.363 -2.212
136 HB3 TYR 17 HB3 TYR 17 5.853 0.206 -0.995
137 HD1 TYR 17 HD1 TYR 17 7.123 -1.431 0.420
138 HD2 TYR 17 HD2 TYR 17 4.613 -2.703 -2.855
139 HE1 TYR 17 HE1 TYR 17 8.419 -3.551 0.233
140 HE2 TYR 17 HE2 TYR 17 5.920 -4.807 -3.048
141 HH TYR 17 HH TYR 17 8.728 -5.478 -0.934
142 H TYR 18 H TYR 18 2.689 -0.947 -2.352
143 HA TYR 18 HA TYR 18 0.963 -3.069 -1.160
144 HB2 TYR 18 HB2 TYR 18 0.238 -0.919 -3.176
145 HB3 TYR 18 HB3 TYR 18 -0.803 -2.261 -2.682
146 HD1 TYR 18 HD1 TYR 18 -1.809 -2.365 -0.454
147 HD2 TYR 18 HD2 TYR 18 0.666 0.962 -1.653
148 HE1 TYR 18 HE1 TYR 18 -2.673 -1.036 1.449
149 HE2 TYR 18 HE2 TYR 18 -0.200 2.300 0.263
150 HH TYR 18 HH TYR 18 -2.638 0.977 2.532
151 H PHE 19 H PHE 19 0.493 -4.851 -2.334
152 HA PHE 19 HA PHE 19 1.714 -5.172 -5.012
153 HB2 PHE 19 HB2 PHE 19 3.379 -6.020 -3.640
154 HB3 PHE 19 HB3 PHE 19 2.205 -6.820 -2.580
155 HD1 PHE 19 HD1 PHE 19 4.000 -7.074 -5.787
156 HD2 PHE 19 HD2 PHE 19 1.249 -8.985 -3.073
157 HE1 PHE 19 HE1 PHE 19 4.309 -9.221 -6.993
158 HE2 PHE 19 HE2 PHE 19 1.604 -11.148 -4.246
159 HZ PHE 19 HZ PHE 19 3.114 -11.267 -6.219
160 H ASN 20 H ASN 20 0.652 -6.249 -6.532
161 HA ASN 20 HA ASN 20 -2.069 -7.238 -5.842
162 HB2 ASN 20 HB2 ASN 20 -1.755 -5.477 -7.580
163 HB3 ASN 20 HB3 ASN 20 -0.831 -6.638 -8.554
164 HD21 ASN 20 HD21 ASN 20 -4.581 -6.571 -9.374
165 HD22 ASN 20 HD22 ASN 20 -3.483 -5.237 -9.012
166 H HIS 21 H HIS 21 -2.086 -9.356 -5.292
167 HA HIS 21 HA HIS 21 0.058 -11.133 -6.152
168 HB2 HIS 21 HB2 HIS 21 -0.493 -12.400 -4.416
169 HB3 HIS 21 HB3 HIS 21 -1.386 -10.984 -3.878
170 HD2 HIS 21 HD2 HIS 21 -4.143 -11.054 -4.438
171 HE1 HIS 21 HE1 HIS 21 -4.350 -15.308 -4.628
172 HE2 HIS 21 HE2 HIS 21 -5.717 -13.171 -4.410
173 H ILE 22 H ILE 22 -2.901 -10.312 -7.633
174 HA ILE 22 HA ILE 22 -3.296 -12.833 -9.067
175 HB ILE 22 HB ILE 22 -4.402 -10.063 -9.667
176 HG12 ILE 22 HG12 ILE 22 -5.023 -10.587 -7.371
177 HG13 ILE 22 HG13 ILE 22 -6.421 -10.613 -8.447
178 HG21 ILE 22 HG21 ILE 22 -4.686 -11.525 -11.539
179 HG22 ILE 22 HG22 ILE 22 -5.311 -12.829 -10.508
180 HG23 ILE 22 HG23 ILE 22 -6.252 -11.338 -10.745
181 HD11 ILE 22 HD11 ILE 22 -6.499 -12.425 -6.785
182 HD12 ILE 22 HD12 ILE 22 -6.427 -13.081 -8.429
183 HD13 ILE 22 HD13 ILE 22 -4.973 -13.087 -7.403
184 H THR 23 H THR 23 -1.857 -9.643 -9.671
185 HA THR 23 HA THR 23 -1.021 -10.436 -12.408
186 HB THR 23 HB THR 23 -1.168 -8.198 -13.070
187 HG1 THR 23 HG1 THR 23 -1.855 -6.688 -11.318
188 HG21 THR 23 HG21 THR 23 -3.428 -7.531 -12.640
189 HG22 THR 23 HG22 THR 23 -3.416 -9.302 -12.696
190 HG23 THR 23 HG23 THR 23 -3.503 -8.460 -11.131
191 H ASN 24 H ASN 24 0.415 -9.924 -9.432
192 HA ASN 24 HA ASN 24 2.436 -9.621 -8.626
193 HB2 ASN 24 HB2 ASN 24 3.518 -10.295 -11.380
194 HB3 ASN 24 HB3 ASN 24 4.452 -10.235 -9.879
195 HD21 ASN 24 HD21 ASN 24 2.989 -12.378 -11.927
196 HD22 ASN 24 HD22 ASN 24 2.715 -13.674 -10.758
197 H ALA 25 H ALA 25 0.987 -7.320 -10.181
198 HA ALA 25 HA ALA 25 3.082 -5.352 -10.582
199 HB1 ALA 25 HB1 ALA 25 1.217 -3.763 -10.654
200 HB2 ALA 25 HB2 ALA 25 0.838 -5.195 -11.626
201 HB3 ALA 25 HB3 ALA 25 0.107 -4.989 -10.017
202 H SER 26 H SER 26 3.441 -3.441 -9.226
203 HA SER 26 HA SER 26 2.523 -3.482 -6.455
204 HB2 SER 26 HB2 SER 26 4.793 -3.367 -5.465
205 HB3 SER 26 HB3 SER 26 4.428 -4.929 -6.198
206 HG SER 26 HG SER 26 5.966 -2.848 -7.392
207 H GLN 27 H GLN 27 2.767 -1.541 -5.322
208 HA GLN 27 HA GLN 27 4.018 0.783 -6.598
209 HB2 GLN 27 HB2 GLN 27 1.980 2.070 -6.830
210 HB3 GLN 27 HB3 GLN 27 1.918 0.624 -7.850
211 HG2 GLN 27 HG2 GLN 27 0.353 -0.469 -6.434
212 HG3 GLN 27 HG3 GLN 27 0.523 0.720 -5.154
213 HE21 GLN 27 HE21 GLN 27 -2.599 1.438 -6.946
214 HE22 GLN 27 HE22 GLN 27 -1.958 0.015 -6.117
215 H PHE 28 H PHE 28 4.206 2.606 -5.258
216 HA PHE 28 HA PHE 28 3.982 2.100 -2.396
217 HB2 PHE 28 HB2 PHE 28 5.980 3.065 -2.901
218 HB3 PHE 28 HB3 PHE 28 5.275 4.212 -4.047
219 HD1 PHE 28 HD1 PHE 28 4.215 6.294 -3.330
220 HD2 PHE 28 HD2 PHE 28 5.965 3.574 -0.474
221 HE1 PHE 28 HE1 PHE 28 4.113 8.058 -1.591
222 HE2 PHE 28 HE2 PHE 28 5.881 5.349 1.262
223 HZ PHE 28 HZ PHE 28 4.954 7.592 0.710
224 H GLU 29 H GLU 29 2.328 4.362 -4.558
225 HA GLU 29 HA GLU 29 0.629 5.491 -2.489
226 HB2 GLU 29 HB2 GLU 29 1.140 6.602 -4.636
227 HB3 GLU 29 HB3 GLU 29 0.251 5.327 -5.509
228 HG2 GLU 29 HG2 GLU 29 -1.835 5.977 -4.400
229 HG3 GLU 29 HG3 GLU 29 -0.975 7.150 -3.398
230 H ARG 30 H ARG 30 -1.503 4.866 -1.875
231 HA ARG 30 HA ARG 30 -1.881 2.053 -2.009
232 HB2 ARG 30 HB2 ARG 30 -3.795 2.284 -0.617
233 HB3 ARG 30 HB3 ARG 30 -2.533 3.342 -0.039
234 HG2 ARG 30 HG2 ARG 30 -3.688 5.210 -0.382
235 HG3 ARG 30 HG3 ARG 30 -4.447 4.683 -1.898
236 HD2 ARG 30 HD2 ARG 30 -5.267 3.731 0.871
237 HD3 ARG 30 HD3 ARG 30 -6.075 5.018 -0.037
238 HE ARG 30 HE ARG 30 -6.132 2.875 -1.806
239 HH11 ARG 30 HH11 ARG 30 -7.352 3.275 1.464
240 HH12 ARG 30 HH12 ARG 30 -8.653 2.140 1.183
241 HH21 ARG 30 HH21 ARG 30 -7.819 1.613 -2.106
242 HH22 ARG 30 HH22 ARG 30 -8.905 1.197 -0.786
243 HA PRO 31 HA PRO 31 -4.366 1.056 -5.462
244 HB2 PRO 31 HB2 PRO 31 -6.145 -0.343 -3.462
245 HB3 PRO 31 HB3 PRO 31 -5.547 -0.945 -5.040
246 HG2 PRO 31 HG2 PRO 31 -4.355 -1.731 -2.746
247 HG3 PRO 31 HG3 PRO 31 -3.315 -1.194 -4.115
248 HD2 PRO 31 HD2 PRO 31 -4.200 0.377 -1.682
249 HD3 PRO 31 HD3 PRO 31 -2.579 0.220 -2.433
250 H SER 32 H SER 32 -5.907 2.111 -6.619
251 HA SER 32 HA SER 32 -8.017 3.701 -5.309
252 HB2 SER 32 HB2 SER 32 -8.482 4.468 -7.604
253 HB3 SER 32 HB3 SER 32 -6.787 4.695 -7.143
254 HG SER 32 HG SER 32 -7.017 3.796 -9.243
255 H GLY 33 H GLY 33 -7.722 0.582 -6.843
256 HA2 GLY 33 HA2 GLY 33 -10.183 -0.497 -6.071
257 HA3 GLY 33 HA3 GLY 33 -10.444 0.178 -7.680
258 H1B XYP 101 H1 XYP 34 12.660 2.303 1.611
259 H2B XYP 101 H2 XYP 34 15.332 2.739 0.158
260 H3B XYP 101 H3 XYP 34 12.569 3.906 -0.452
261 H4B XYP 101 H4 XYP 34 14.188 1.854 -2.045
262 H5B1 XYP 101 H5E XYP 34 12.455 0.223 -1.420
263 H5B2 XYP 101 H5A XYP 34 11.590 1.451 -0.472
264 HO2B XYP 101 H2O XYP 34 14.814 4.962 0.758
265 HO3B XYP 101 H3O XYP 34 13.758 4.567 -2.391
266 HO4B XYP 101 H4O XYP 34 12.282 1.875 -3.345
Start of MODEL 10
1 H1 LYS 1 H1 LYS 1 -11.469 -3.616 3.055
2 H2 LYS 1 H2 LYS 1 -12.363 -2.390 2.434
3 H3 LYS 1 H3 LYS 1 -12.271 -2.598 4.051
4 HA LYS 1 HA LYS 1 -10.936 -0.736 3.389
5 HB2 LYS 1 HB2 LYS 1 -10.227 -2.021 5.365
6 HB3 LYS 1 HB3 LYS 1 -9.273 -3.097 4.347
7 HG2 LYS 1 HG2 LYS 1 -7.925 -1.011 3.618
8 HG3 LYS 1 HG3 LYS 1 -8.837 -0.119 4.838
9 HD2 LYS 1 HD2 LYS 1 -6.763 -0.699 5.833
10 HD3 LYS 1 HD3 LYS 1 -7.955 -1.791 6.556
11 HE2 LYS 1 HE2 LYS 1 -7.257 -3.565 4.908
12 HE3 LYS 1 HE3 LYS 1 -6.052 -2.451 4.245
13 HZ1 LYS 1 HZ1 LYS 1 -6.111 -3.455 7.044
14 HZ2 LYS 1 HZ2 LYS 1 -5.075 -3.953 5.887
15 HZ3 LYS 1 HZ3 LYS 1 -4.996 -2.419 6.451
16 H LEU 2 H LEU 2 -9.036 -3.569 2.247
17 HA LEU 2 HA LEU 2 -7.857 -1.893 0.160
18 HB2 LEU 2 HB2 LEU 2 -6.601 -3.244 1.870
19 HB3 LEU 2 HB3 LEU 2 -7.191 -4.710 1.069
20 HG LEU 2 HG LEU 2 -5.941 -3.967 -0.997
21 HD11 LEU 2 HD11 LEU 2 -4.180 -2.237 -0.695
22 HD12 LEU 2 HD12 LEU 2 -5.778 -1.523 -0.517
23 HD13 LEU 2 HD13 LEU 2 -4.814 -1.874 0.933
24 HD21 LEU 2 HD21 LEU 2 -3.715 -4.509 -0.064
25 HD22 LEU 2 HD22 LEU 2 -4.328 -4.216 1.579
26 HD23 LEU 2 HD23 LEU 2 -4.974 -5.559 0.617
27 HA PRO 3 HA PRO 3 -10.383 -3.671 -3.004
28 HB2 PRO 3 HB2 PRO 3 -8.200 -3.403 -5.011
29 HB3 PRO 3 HB3 PRO 3 -9.819 -2.648 -4.987
30 HG2 PRO 3 HG2 PRO 3 -7.549 -1.223 -4.442
31 HG3 PRO 3 HG3 PRO 3 -9.091 -0.910 -3.578
32 HD2 PRO 3 HD2 PRO 3 -6.722 -2.551 -2.630
33 HD3 PRO 3 HD3 PRO 3 -7.680 -1.312 -1.778
34 HA PRO 4 HA PRO 4 -9.579 -7.977 -3.770
35 HB2 PRO 4 HB2 PRO 4 -10.303 -7.510 -6.666
36 HB3 PRO 4 HB3 PRO 4 -10.875 -8.794 -5.550
37 HG2 PRO 4 HG2 PRO 4 -12.451 -6.658 -6.066
38 HG3 PRO 4 HG3 PRO 4 -12.277 -7.241 -4.376
39 HD2 PRO 4 HD2 PRO 4 -10.854 -4.925 -5.722
40 HD3 PRO 4 HD3 PRO 4 -11.645 -4.993 -4.113
41 H GLY 5 H GLY 5 -7.898 -9.299 -4.302
42 HA2 GLY 5 HA2 GLY 5 -5.950 -10.091 -5.199
43 HA3 GLY 5 HA3 GLY 5 -6.057 -8.871 -6.484
44 H TRP 6 H TRP 6 -6.069 -6.703 -4.218
45 HA TRP 6 HA TRP 6 -3.171 -6.400 -4.091
46 HB2 TRP 6 HB2 TRP 6 -5.444 -4.681 -3.123
47 HB3 TRP 6 HB3 TRP 6 -3.757 -4.305 -2.809
48 HD1 TRP 6 HD1 TRP 6 -6.327 -4.315 -5.561
49 HE1 TRP 6 HE1 TRP 6 -5.421 -3.151 -7.668
50 HE3 TRP 6 HE3 TRP 6 -1.429 -3.942 -4.195
51 HZ2 TRP 6 HZ2 TRP 6 -2.847 -2.305 -8.683
52 HZ3 TRP 6 HZ3 TRP 6 0.255 -3.022 -5.783
53 HH2 TRP 6 HH2 TRP 6 -0.439 -2.209 -8.022
54 H GLU 7 H GLU 7 -1.834 -6.277 -2.368
55 HA GLU 7 HA GLU 7 -2.750 -6.947 0.358
56 HB2 GLU 7 HB2 GLU 7 -2.198 -9.099 -0.603
57 HB3 GLU 7 HB3 GLU 7 -0.750 -8.458 -1.351
58 HG2 GLU 7 HG2 GLU 7 -0.179 -9.911 0.463
59 HG3 GLU 7 HG3 GLU 7 0.396 -8.283 0.758
60 H LYS 8 H LYS 8 -1.487 -6.016 1.978
61 HA LYS 8 HA LYS 8 0.281 -3.822 1.184
62 HB2 LYS 8 HB2 LYS 8 -0.744 -4.815 3.844
63 HB3 LYS 8 HB3 LYS 8 0.646 -3.717 3.766
64 HG2 LYS 8 HG2 LYS 8 -0.638 -2.146 2.359
65 HG3 LYS 8 HG3 LYS 8 -2.057 -3.208 2.472
66 HD2 LYS 8 HD2 LYS 8 -2.393 -1.436 4.015
67 HD3 LYS 8 HD3 LYS 8 -1.971 -2.852 4.999
68 HE2 LYS 8 HE2 LYS 8 0.388 -2.031 5.135
69 HE3 LYS 8 HE3 LYS 8 -0.038 -0.646 4.122
70 HZ1 LYS 8 HZ1 LYS 8 -1.567 0.079 5.872
71 HZ2 LYS 8 HZ2 LYS 8 -1.174 -1.204 6.810
72 HZ3 LYS 8 HZ3 LYS 8 -0.057 -0.064 6.473
73 H ARG 9 H ARG 9 2.364 -3.525 1.517
74 HA ARG 9 HA ARG 9 4.160 -5.813 2.206
75 HB2 ARG 9 HB2 ARG 9 4.100 -4.084 -0.289
76 HB3 ARG 9 HB3 ARG 9 5.602 -4.789 0.262
77 HG2 ARG 9 HG2 ARG 9 3.124 -6.344 -0.472
78 HG3 ARG 9 HG3 ARG 9 4.532 -6.103 -1.511
79 HD2 ARG 9 HD2 ARG 9 4.484 -7.666 1.099
80 HD3 ARG 9 HD3 ARG 9 4.622 -8.321 -0.540
81 HE ARG 9 HE ARG 9 6.798 -7.196 -0.779
82 HH11 ARG 9 HH11 ARG 9 8.670 -6.501 0.088
83 HH12 ARG 9 HH12 ARG 9 8.908 -6.545 1.822
84 HH21 ARG 9 HH21 ARG 9 5.844 -7.843 2.541
85 HH22 ARG 9 HH22 ARG 9 7.404 -7.350 3.144
86 H MET 10 H MET 10 6.347 -5.232 2.581
87 HA MET 10 HA MET 10 7.016 -2.449 3.085
88 HB2 MET 10 HB2 MET 10 5.761 -3.163 5.176
89 HB3 MET 10 HB3 MET 10 7.075 -4.317 5.482
90 HG2 MET 10 HG2 MET 10 8.677 -2.363 5.499
91 HG3 MET 10 HG3 MET 10 7.291 -1.288 5.254
92 HE1 MET 10 HE1 MET 10 9.404 -3.415 7.668
93 HE2 MET 10 HE2 MET 10 8.394 -3.567 9.122
94 HE3 MET 10 HE3 MET 10 7.961 -4.454 7.647
95 H PHE 11 H PHE 11 9.107 -2.048 2.851
96 HA PHE 11 HA PHE 11 11.054 -4.109 2.265
97 HB2 PHE 11 HB2 PHE 11 11.199 -1.104 2.484
98 HB3 PHE 11 HB3 PHE 11 12.623 -2.101 2.189
99 HD1 PHE 11 HD1 PHE 11 9.839 -0.449 0.624
100 HD2 PHE 11 HD2 PHE 11 12.642 -3.697 0.168
101 HE1 PHE 11 HE1 PHE 11 9.438 -0.451 -1.824
102 HE2 PHE 11 HE2 PHE 11 12.221 -3.710 -2.280
103 HZ PHE 11 HZ PHE 11 10.623 -2.085 -3.280
104 H ALA 12 H ALA 12 13.172 -4.342 3.262
105 HA ALA 12 HA ALA 12 13.052 -4.901 6.041
106 HB1 ALA 12 HB1 ALA 12 14.560 -6.007 4.429
107 HB2 ALA 12 HB2 ALA 12 15.466 -4.489 4.218
108 HB3 ALA 12 HB3 ALA 12 15.471 -5.322 5.787
109 H ASN 13 H ASN 13 13.829 -1.882 4.442
110 HA ASN 13 HA ASN 13 15.016 -0.647 6.831
111 HB2 ASN 13 HB2 ASN 13 15.264 1.327 5.426
112 HB3 ASN 13 HB3 ASN 13 15.887 -0.121 4.622
113 HD21 ASN 13 HD21 ASN 13 15.777 1.087 2.679
114 H GLY 14 H GLY 14 11.850 -1.396 6.165
115 HA2 GLY 14 HA2 GLY 14 10.021 -0.825 7.482
116 HA3 GLY 14 HA3 GLY 14 10.843 0.632 8.061
117 H THR 15 H THR 15 10.747 0.224 4.580
118 HA THR 15 HA THR 15 8.822 2.468 4.320
119 HB THR 15 HB THR 15 10.595 1.049 2.294
120 HG1 THR 15 HG1 THR 15 11.871 2.136 3.537
121 HG21 THR 15 HG21 THR 15 8.731 2.042 1.114
122 HG22 THR 15 HG22 THR 15 8.927 3.570 2.013
123 HG23 THR 15 HG23 THR 15 10.178 3.024 0.866
124 H VAL 16 H VAL 16 6.738 2.172 3.725
125 HA VAL 16 HA VAL 16 5.772 -0.585 3.253
126 HB VAL 16 HB VAL 16 4.431 2.039 3.987
127 HG11 VAL 16 HG11 VAL 16 3.081 -0.665 3.620
128 HG12 VAL 16 HG12 VAL 16 2.350 0.765 4.377
129 HG13 VAL 16 HG13 VAL 16 2.775 0.809 2.670
130 HG21 VAL 16 HG21 VAL 16 5.711 0.915 5.797
131 HG22 VAL 16 HG22 VAL 16 3.972 0.884 6.117
132 HG23 VAL 16 HG23 VAL 16 4.784 -0.576 5.518
133 H TYR 17 H TYR 17 4.546 -1.227 1.537
134 HA TYR 17 HA TYR 17 3.749 0.606 -0.590
135 HB2 TYR 17 HB2 TYR 17 4.875 -0.505 -2.405
136 HB3 TYR 17 HB3 TYR 17 6.043 0.118 -1.259
137 HD1 TYR 17 HD1 TYR 17 7.324 -1.468 0.246
138 HD2 TYR 17 HD2 TYR 17 4.811 -2.861 -2.987
139 HE1 TYR 17 HE1 TYR 17 8.659 -3.571 0.086
140 HE2 TYR 17 HE2 TYR 17 6.184 -4.905 -3.185
141 HH TYR 17 HH TYR 17 8.236 -5.857 -2.575
142 H TYR 18 H TYR 18 2.893 -1.008 -2.483
143 HA TYR 18 HA TYR 18 1.089 -3.027 -1.244
144 HB2 TYR 18 HB2 TYR 18 0.403 -0.864 -3.266
145 HB3 TYR 18 HB3 TYR 18 -0.664 -2.187 -2.782
146 HD1 TYR 18 HD1 TYR 18 0.957 0.951 -1.649
147 HD2 TYR 18 HD2 TYR 18 -1.789 -2.222 -0.647
148 HE1 TYR 18 HE1 TYR 18 0.206 2.239 0.339
149 HE2 TYR 18 HE2 TYR 18 -2.606 -0.894 1.288
150 HH TYR 18 HH TYR 18 -1.130 2.230 2.206
151 H PHE 19 H PHE 19 0.578 -4.812 -2.420
152 HA PHE 19 HA PHE 19 1.772 -5.172 -5.110
153 HB2 PHE 19 HB2 PHE 19 3.458 -5.981 -3.687
154 HB3 PHE 19 HB3 PHE 19 2.276 -6.816 -2.659
155 HD1 PHE 19 HD1 PHE 19 1.496 -9.050 -3.143
156 HD2 PHE 19 HD2 PHE 19 3.999 -6.908 -5.935
157 HE1 PHE 19 HE1 PHE 19 1.913 -11.151 -4.394
158 HE2 PHE 19 HE2 PHE 19 4.366 -9.007 -7.214
159 HZ PHE 19 HZ PHE 19 3.325 -11.134 -6.442
160 H ASN 20 H ASN 20 0.590 -6.261 -6.581
161 HA ASN 20 HA ASN 20 -1.997 -7.399 -5.641
162 HB2 ASN 20 HB2 ASN 20 -1.964 -5.636 -7.431
163 HB3 ASN 20 HB3 ASN 20 -1.140 -6.802 -8.486
164 HD21 ASN 20 HD21 ASN 20 -5.113 -6.999 -8.194
165 HD22 ASN 20 HD22 ASN 20 -4.165 -5.610 -7.664
166 H HIS 21 H HIS 21 -1.984 -9.520 -5.203
167 HA HIS 21 HA HIS 21 0.218 -11.184 -6.167
168 HB2 HIS 21 HB2 HIS 21 -0.190 -12.516 -4.430
169 HB3 HIS 21 HB3 HIS 21 -1.044 -11.108 -3.810
170 HD2 HIS 21 HD2 HIS 21 -3.851 -11.181 -4.254
171 HE1 HIS 21 HE1 HIS 21 -4.039 -15.439 -4.332
172 HE2 HIS 21 HE2 HIS 21 -5.408 -13.305 -4.098
173 H ILE 22 H ILE 22 -2.864 -10.518 -7.478
174 HA ILE 22 HA ILE 22 -3.198 -13.064 -8.882
175 HB ILE 22 HB ILE 22 -4.495 -10.368 -9.428
176 HG12 ILE 22 HG12 ILE 22 -4.946 -10.929 -7.095
177 HG13 ILE 22 HG13 ILE 22 -6.400 -10.994 -8.093
178 HG21 ILE 22 HG21 ILE 22 -6.323 -11.754 -10.398
179 HG22 ILE 22 HG22 ILE 22 -4.794 -11.855 -11.275
180 HG23 ILE 22 HG23 ILE 22 -5.285 -13.188 -10.208
181 HD11 ILE 22 HD11 ILE 22 -4.815 -13.422 -7.141
182 HD12 ILE 22 HD12 ILE 22 -6.329 -12.808 -6.440
183 HD13 ILE 22 HD13 ILE 22 -6.324 -13.460 -8.086
184 H THR 23 H THR 23 -2.012 -9.786 -9.565
185 HA THR 23 HA THR 23 -1.257 -10.537 -12.336
186 HB THR 23 HB THR 23 -1.577 -8.317 -12.988
187 HG1 THR 23 HG1 THR 23 -2.257 -6.840 -11.209
188 HG21 THR 23 HG21 THR 23 -3.730 -9.557 -12.483
189 HG22 THR 23 HG22 THR 23 -3.783 -8.698 -10.925
190 HG23 THR 23 HG23 THR 23 -3.844 -7.788 -12.447
191 H ASN 24 H ASN 24 0.316 -9.950 -9.446
192 HA ASN 24 HA ASN 24 2.363 -9.521 -8.761
193 HB2 ASN 24 HB2 ASN 24 3.315 -10.110 -11.582
194 HB3 ASN 24 HB3 ASN 24 4.328 -10.009 -10.135
195 HD21 ASN 24 HD21 ASN 24 2.877 -12.215 -12.127
196 HD22 ASN 24 HD22 ASN 24 2.748 -13.537 -10.964
197 H ALA 25 H ALA 25 0.673 -7.313 -10.179
198 HA ALA 25 HA ALA 25 2.588 -5.219 -10.760
199 HB1 ALA 25 HB1 ALA 25 -0.330 -5.043 -9.897
200 HB2 ALA 25 HB2 ALA 25 0.629 -3.750 -10.639
201 HB3 ALA 25 HB3 ALA 25 0.246 -5.208 -11.574
202 H SER 26 H SER 26 2.871 -3.242 -9.451
203 HA SER 26 HA SER 26 2.354 -3.411 -6.578
204 HB2 SER 26 HB2 SER 26 4.677 -2.961 -5.910
205 HB3 SER 26 HB3 SER 26 4.465 -4.556 -6.633
206 HG SER 26 HG SER 26 6.311 -3.499 -7.455
207 H GLN 27 H GLN 27 2.533 -1.502 -5.429
208 HA GLN 27 HA GLN 27 2.970 1.052 -6.880
209 HB2 GLN 27 HB2 GLN 27 0.350 0.139 -5.633
210 HB3 GLN 27 HB3 GLN 27 0.803 1.845 -5.680
211 HG2 GLN 27 HG2 GLN 27 0.935 1.854 -8.075
212 HG3 GLN 27 HG3 GLN 27 0.572 0.117 -8.153
213 HE21 GLN 27 HE21 GLN 27 -1.185 2.232 -5.811
214 HE22 GLN 27 HE22 GLN 27 -2.669 2.229 -6.769
215 H PHE 28 H PHE 28 3.681 2.707 -5.618
216 HA PHE 28 HA PHE 28 4.094 2.210 -2.738
217 HB2 PHE 28 HB2 PHE 28 5.997 3.108 -3.644
218 HB3 PHE 28 HB3 PHE 28 5.112 4.262 -4.650
219 HD1 PHE 28 HD1 PHE 28 6.325 3.588 -1.204
220 HD2 PHE 28 HD2 PHE 28 4.345 6.399 -3.813
221 HE1 PHE 28 HE1 PHE 28 6.600 5.373 0.504
222 HE2 PHE 28 HE2 PHE 28 4.600 8.173 -2.098
223 HZ PHE 28 HZ PHE 28 5.737 7.667 0.061
224 H GLU 29 H GLU 29 1.977 4.120 -4.737
225 HA GLU 29 HA GLU 29 0.702 5.431 -2.422
226 HB2 GLU 29 HB2 GLU 29 1.054 6.704 -4.446
227 HB3 GLU 29 HB3 GLU 29 0.121 5.533 -5.402
228 HG2 GLU 29 HG2 GLU 29 -1.919 6.084 -4.156
229 HG3 GLU 29 HG3 GLU 29 -1.009 7.150 -3.080
230 H ARG 30 H ARG 30 -1.181 4.890 -1.532
231 HA ARG 30 HA ARG 30 -2.054 2.248 -1.459
232 HB2 ARG 30 HB2 ARG 30 -2.314 3.626 0.414
233 HB3 ARG 30 HB3 ARG 30 -3.147 4.878 -0.490
234 HG2 ARG 30 HG2 ARG 30 -4.593 3.733 1.098
235 HG3 ARG 30 HG3 ARG 30 -5.177 3.658 -0.572
236 HD2 ARG 30 HD2 ARG 30 -3.754 1.269 -0.259
237 HD3 ARG 30 HD3 ARG 30 -4.452 1.502 1.330
238 HE ARG 30 HE ARG 30 -5.887 1.175 -1.272
239 HH11 ARG 30 HH11 ARG 30 -7.957 0.815 -1.352
240 HH12 ARG 30 HH12 ARG 30 -8.889 0.532 0.119
241 HH21 ARG 30 HH21 ARG 30 -6.317 1.432 2.214
242 HH22 ARG 30 HH22 ARG 30 -8.020 1.065 2.066
243 HA PRO 31 HA PRO 31 -4.536 2.139 -5.229
244 HB2 PRO 31 HB2 PRO 31 -5.406 -0.480 -5.081
245 HB3 PRO 31 HB3 PRO 31 -3.767 0.011 -5.605
246 HG2 PRO 31 HG2 PRO 31 -4.626 -0.864 -2.816
247 HG3 PRO 31 HG3 PRO 31 -3.235 -1.448 -3.789
248 HD2 PRO 31 HD2 PRO 31 -2.907 0.418 -1.923
249 HD3 PRO 31 HD3 PRO 31 -2.063 0.588 -3.490
250 H SER 32 H SER 32 -6.472 3.075 -5.404
251 HA SER 32 HA SER 32 -8.428 3.010 -3.238
252 HB2 SER 32 HB2 SER 32 -9.588 4.697 -4.612
253 HB3 SER 32 HB3 SER 32 -7.886 5.097 -4.334
254 HG SER 32 HG SER 32 -8.516 5.395 -6.522
255 H GLY 33 H GLY 33 -8.063 1.205 -6.166
256 HA2 GLY 33 HA2 GLY 33 -10.382 -0.438 -5.770
257 HA3 GLY 33 HA3 GLY 33 -10.701 0.756 -7.028
258 H1B XYP 101 H1 XYP 34 13.144 1.956 1.706
259 H2B XYP 101 H2 XYP 34 15.932 2.130 0.428
260 H3B XYP 101 H3 XYP 34 13.305 3.436 -0.441
261 H4B XYP 101 H4 XYP 34 14.881 1.192 -1.801
262 H5B1 XYP 101 H5E XYP 34 13.006 -0.284 -1.210
263 H5B2 XYP 101 H5A XYP 34 12.161 1.049 -0.397
264 HO2B XYP 101 H2O XYP 34 15.532 4.412 0.866
265 HO3B XYP 101 H3O XYP 34 14.666 3.902 -2.324
266 HO4B XYP 101 H4O XYP 34 13.070 1.260 -3.229
Start of MODEL 11
1 H1 LYS 1 H1 LYS 1 -12.143 -1.854 4.119
2 H2 LYS 1 H2 LYS 1 -11.240 -3.004 3.389
3 H3 LYS 1 H3 LYS 1 -12.357 -2.166 2.531
4 HA LYS 1 HA LYS 1 -11.175 -0.116 2.811
5 HB2 LYS 1 HB2 LYS 1 -10.151 -0.498 4.958
6 HB3 LYS 1 HB3 LYS 1 -9.169 -1.823 4.327
7 HG2 LYS 1 HG2 LYS 1 -7.941 -0.234 2.857
8 HG3 LYS 1 HG3 LYS 1 -8.946 1.096 3.461
9 HD2 LYS 1 HD2 LYS 1 -8.019 0.842 5.695
10 HD3 LYS 1 HD3 LYS 1 -7.158 -0.641 5.221
11 HE2 LYS 1 HE2 LYS 1 -5.808 0.608 3.590
12 HE3 LYS 1 HE3 LYS 1 -6.696 2.097 3.958
13 HZ1 LYS 1 HZ1 LYS 1 -5.028 0.609 5.912
14 HZ2 LYS 1 HZ2 LYS 1 -4.591 1.998 5.166
15 HZ3 LYS 1 HZ3 LYS 1 -5.834 1.996 6.223
16 H LEU 2 H LEU 2 -8.948 -2.910 2.309
17 HA LEU 2 HA LEU 2 -7.883 -1.602 0.001
18 HB2 LEU 2 HB2 LEU 2 -6.686 -2.914 1.806
19 HB3 LEU 2 HB3 LEU 2 -7.297 -4.390 1.038
20 HG LEU 2 HG LEU 2 -6.034 -3.673 -1.047
21 HD11 LEU 2 HD11 LEU 2 -4.211 -2.007 -0.718
22 HD12 LEU 2 HD12 LEU 2 -5.789 -1.237 -0.561
23 HD13 LEU 2 HD13 LEU 2 -4.851 -1.622 0.898
24 HD21 LEU 2 HD21 LEU 2 -5.113 -5.313 0.545
25 HD22 LEU 2 HD22 LEU 2 -3.828 -4.303 -0.143
26 HD23 LEU 2 HD23 LEU 2 -4.409 -3.999 1.510
27 HA PRO 3 HA PRO 3 -10.473 -3.511 -3.042
28 HB2 PRO 3 HB2 PRO 3 -8.303 -3.329 -5.072
29 HB3 PRO 3 HB3 PRO 3 -9.922 -2.570 -5.069
30 HG2 PRO 3 HG2 PRO 3 -7.648 -1.133 -4.607
31 HG3 PRO 3 HG3 PRO 3 -9.183 -0.773 -3.753
32 HD2 PRO 3 HD2 PRO 3 -6.814 -2.381 -2.727
33 HD3 PRO 3 HD3 PRO 3 -7.758 -1.094 -1.934
34 HA PRO 4 HA PRO 4 -9.618 -7.850 -3.666
35 HB2 PRO 4 HB2 PRO 4 -10.433 -7.466 -6.550
36 HB3 PRO 4 HB3 PRO 4 -10.951 -8.731 -5.387
37 HG2 PRO 4 HG2 PRO 4 -12.578 -6.635 -5.911
38 HG3 PRO 4 HG3 PRO 4 -12.348 -7.175 -4.214
39 HD2 PRO 4 HD2 PRO 4 -11.001 -4.870 -5.653
40 HD3 PRO 4 HD3 PRO 4 -11.749 -4.911 -4.024
41 H GLY 5 H GLY 5 -7.927 -9.152 -4.213
42 HA2 GLY 5 HA2 GLY 5 -6.043 -9.966 -5.244
43 HA3 GLY 5 HA3 GLY 5 -6.181 -8.708 -6.487
44 H TRP 6 H TRP 6 -6.094 -6.601 -4.179
45 HA TRP 6 HA TRP 6 -3.173 -6.378 -4.066
46 HB2 TRP 6 HB2 TRP 6 -5.382 -4.586 -3.067
47 HB3 TRP 6 HB3 TRP 6 -3.673 -4.260 -2.828
48 HD1 TRP 6 HD1 TRP 6 -6.353 -4.265 -5.486
49 HE1 TRP 6 HE1 TRP 6 -5.554 -3.011 -7.581
50 HE3 TRP 6 HE3 TRP 6 -1.401 -3.844 -4.293
51 HZ2 TRP 6 HZ2 TRP 6 -3.014 -2.219 -8.719
52 HZ3 TRP 6 HZ3 TRP 6 0.211 -2.882 -5.944
53 HH2 TRP 6 HH2 TRP 6 -0.585 -2.087 -8.150
54 H GLU 7 H GLU 7 -1.849 -6.349 -2.292
55 HA GLU 7 HA GLU 7 -2.946 -6.722 0.419
56 HB2 GLU 7 HB2 GLU 7 -2.455 -9.010 -0.670
57 HB3 GLU 7 HB3 GLU 7 -0.750 -8.544 -0.634
58 HG2 GLU 7 HG2 GLU 7 -0.871 -8.298 1.831
59 HG3 GLU 7 HG3 GLU 7 -2.606 -8.625 1.793
60 H LYS 8 H LYS 8 -1.568 -5.878 2.034
61 HA LYS 8 HA LYS 8 0.338 -3.869 1.174
62 HB2 LYS 8 HB2 LYS 8 -0.638 -4.808 3.879
63 HB3 LYS 8 HB3 LYS 8 0.739 -3.698 3.727
64 HG2 LYS 8 HG2 LYS 8 -0.572 -2.137 2.402
65 HG3 LYS 8 HG3 LYS 8 -1.975 -3.226 2.428
66 HD2 LYS 8 HD2 LYS 8 -2.409 -1.514 4.011
67 HD3 LYS 8 HD3 LYS 8 -1.998 -2.957 4.961
68 HE2 LYS 8 HE2 LYS 8 0.362 -2.098 5.159
69 HE3 LYS 8 HE3 LYS 8 -0.112 -0.655 4.253
70 HZ1 LYS 8 HZ1 LYS 8 -1.248 -1.469 6.877
71 HZ2 LYS 8 HZ2 LYS 8 -0.155 -0.277 6.657
72 HZ3 LYS 8 HZ3 LYS 8 -1.661 -0.119 6.049
73 H ARG 9 H ARG 9 2.435 -3.669 1.475
74 HA ARG 9 HA ARG 9 4.203 -5.989 2.138
75 HB2 ARG 9 HB2 ARG 9 3.717 -4.724 -0.517
76 HB3 ARG 9 HB3 ARG 9 5.393 -4.667 -0.038
77 HG2 ARG 9 HG2 ARG 9 4.841 -6.614 -1.449
78 HG3 ARG 9 HG3 ARG 9 5.564 -7.063 0.116
79 HD2 ARG 9 HD2 ARG 9 3.466 -7.723 1.015
80 HD3 ARG 9 HD3 ARG 9 2.561 -6.993 -0.338
81 HE ARG 9 HE ARG 9 4.216 -8.981 -1.454
82 HH11 ARG 9 HH11 ARG 9 3.360 -11.015 -1.970
83 HH12 ARG 9 HH12 ARG 9 1.962 -11.599 -1.100
84 HH21 ARG 9 HH21 ARG 9 1.621 -8.825 0.862
85 HH22 ARG 9 HH22 ARG 9 0.907 -10.344 0.352
86 H MET 10 H MET 10 6.493 -5.334 2.384
87 HA MET 10 HA MET 10 7.005 -2.504 2.914
88 HB2 MET 10 HB2 MET 10 5.829 -3.356 4.987
89 HB3 MET 10 HB3 MET 10 7.181 -4.486 5.216
90 HG2 MET 10 HG2 MET 10 8.726 -2.493 5.336
91 HG3 MET 10 HG3 MET 10 7.307 -1.446 5.165
92 HE1 MET 10 HE1 MET 10 9.498 -3.650 7.436
93 HE2 MET 10 HE2 MET 10 8.504 -3.913 8.886
94 HE3 MET 10 HE3 MET 10 8.083 -4.726 7.366
95 H PHE 11 H PHE 11 9.078 -1.964 2.718
96 HA PHE 11 HA PHE 11 11.111 -3.879 1.961
97 HB2 PHE 11 HB2 PHE 11 11.117 -0.893 2.379
98 HB3 PHE 11 HB3 PHE 11 12.582 -1.799 1.996
99 HD1 PHE 11 HD1 PHE 11 12.667 -3.229 -0.127
100 HD2 PHE 11 HD2 PHE 11 9.652 -0.229 0.598
101 HE1 PHE 11 HE1 PHE 11 12.183 -3.122 -2.562
102 HE2 PHE 11 HE2 PHE 11 9.183 -0.115 -1.837
103 HZ PHE 11 HZ PHE 11 10.444 -1.563 -3.419
104 H ALA 12 H ALA 12 13.252 -4.095 2.893
105 HA ALA 12 HA ALA 12 13.219 -4.861 5.624
106 HB1 ALA 12 HB1 ALA 12 15.571 -4.217 3.789
107 HB2 ALA 12 HB2 ALA 12 15.645 -5.164 5.290
108 HB3 ALA 12 HB3 ALA 12 14.730 -5.782 3.903
109 H ASN 13 H ASN 13 13.834 -1.705 4.242
110 HA ASN 13 HA ASN 13 15.024 -0.594 6.689
111 HB2 ASN 13 HB2 ASN 13 15.141 1.488 5.426
112 HB3 ASN 13 HB3 ASN 13 15.811 0.135 4.506
113 HD21 ASN 13 HD21 ASN 13 15.591 1.478 2.659
114 H GLY 14 H GLY 14 11.878 -1.440 6.032
115 HA2 GLY 14 HA2 GLY 14 10.060 -1.060 7.430
116 HA3 GLY 14 HA3 GLY 14 10.825 0.390 8.098
117 H THR 15 H THR 15 10.661 0.232 4.598
118 HA THR 15 HA THR 15 8.634 2.397 4.554
119 HB THR 15 HB THR 15 10.406 1.225 2.377
120 HG1 THR 15 HG1 THR 15 11.673 2.254 3.683
121 HG21 THR 15 HG21 THR 15 9.873 3.297 1.138
122 HG22 THR 15 HG22 THR 15 8.470 2.241 1.341
123 HG23 THR 15 HG23 THR 15 8.638 3.695 2.361
124 H VAL 16 H VAL 16 6.547 2.040 4.036
125 HA VAL 16 HA VAL 16 5.688 -0.695 3.314
126 HB VAL 16 HB VAL 16 4.220 1.767 4.325
127 HG11 VAL 16 HG11 VAL 16 2.617 0.480 3.001
128 HG12 VAL 16 HG12 VAL 16 3.099 -1.021 3.830
129 HG13 VAL 16 HG13 VAL 16 2.280 0.284 4.719
130 HG21 VAL 16 HG21 VAL 16 4.870 -0.894 5.668
131 HG22 VAL 16 HG22 VAL 16 5.673 0.655 6.006
132 HG23 VAL 16 HG23 VAL 16 3.962 0.449 6.393
133 H TYR 17 H TYR 17 4.469 -1.230 1.570
134 HA TYR 17 HA TYR 17 3.507 0.733 -0.380
135 HB2 TYR 17 HB2 TYR 17 4.764 -0.092 -2.252
136 HB3 TYR 17 HB3 TYR 17 5.893 0.436 -1.016
137 HD1 TYR 17 HD1 TYR 17 7.189 -1.274 0.323
138 HD2 TYR 17 HD2 TYR 17 4.771 -2.339 -3.094
139 HE1 TYR 17 HE1 TYR 17 8.496 -3.374 0.041
140 HE2 TYR 17 HE2 TYR 17 6.056 -4.454 -3.347
141 HH TYR 17 HH TYR 17 8.828 -5.237 -1.225
142 H TYR 18 H TYR 18 2.773 -0.832 -2.409
143 HA TYR 18 HA TYR 18 1.060 -2.959 -1.217
144 HB2 TYR 18 HB2 TYR 18 0.335 -0.786 -3.201
145 HB3 TYR 18 HB3 TYR 18 -0.698 -2.151 -2.758
146 HD1 TYR 18 HD1 TYR 18 0.744 1.049 -1.587
147 HD2 TYR 18 HD2 TYR 18 -1.761 -2.315 -0.572
148 HE1 TYR 18 HE1 TYR 18 -0.048 2.262 0.411
149 HE2 TYR 18 HE2 TYR 18 -2.635 -1.057 1.379
150 HH TYR 18 HH TYR 18 -1.421 2.194 2.251
151 H PHE 19 H PHE 19 0.579 -4.766 -2.348
152 HA PHE 19 HA PHE 19 1.756 -5.126 -5.044
153 HB2 PHE 19 HB2 PHE 19 3.442 -5.959 -3.658
154 HB3 PHE 19 HB3 PHE 19 2.273 -6.763 -2.603
155 HD1 PHE 19 HD1 PHE 19 4.117 -7.007 -5.774
156 HD2 PHE 19 HD2 PHE 19 1.248 -8.943 -3.187
157 HE1 PHE 19 HE1 PHE 19 4.451 -9.140 -6.992
158 HE2 PHE 19 HE2 PHE 19 1.646 -11.081 -4.363
159 HZ PHE 19 HZ PHE 19 3.226 -11.188 -6.281
160 H ASN 20 H ASN 20 0.650 -6.278 -6.521
161 HA ASN 20 HA ASN 20 -2.008 -7.317 -5.658
162 HB2 ASN 20 HB2 ASN 20 -1.897 -5.550 -7.427
163 HB3 ASN 20 HB3 ASN 20 -1.046 -6.708 -8.468
164 HD21 ASN 20 HD21 ASN 20 -5.027 -6.866 -8.338
165 HD22 ASN 20 HD22 ASN 20 -4.090 -5.494 -7.748
166 H HIS 21 H HIS 21 -2.090 -9.436 -5.251
167 HA HIS 21 HA HIS 21 0.091 -11.171 -6.135
168 HB2 HIS 21 HB2 HIS 21 -0.404 -12.455 -4.390
169 HB3 HIS 21 HB3 HIS 21 -1.278 -11.039 -3.823
170 HD2 HIS 21 HD2 HIS 21 -4.056 -11.099 -4.340
171 HE1 HIS 21 HE1 HIS 21 -4.274 -15.354 -4.476
172 HE2 HIS 21 HE2 HIS 21 -5.633 -13.212 -4.260
173 H ILE 22 H ILE 22 -2.904 -10.394 -7.564
174 HA ILE 22 HA ILE 22 -3.289 -12.937 -8.962
175 HB ILE 22 HB ILE 22 -4.440 -10.192 -9.590
176 HG12 ILE 22 HG12 ILE 22 -5.020 -10.676 -7.275
177 HG13 ILE 22 HG13 ILE 22 -6.433 -10.730 -8.330
178 HG21 ILE 22 HG21 ILE 22 -6.284 -11.507 -10.621
179 HG22 ILE 22 HG22 ILE 22 -4.724 -11.695 -11.426
180 HG23 ILE 22 HG23 ILE 22 -5.326 -12.985 -10.363
181 HD11 ILE 22 HD11 ILE 22 -6.427 -13.195 -8.263
182 HD12 ILE 22 HD12 ILE 22 -4.955 -13.178 -7.261
183 HD13 ILE 22 HD13 ILE 22 -6.474 -12.508 -6.631
184 H THR 23 H THR 23 -1.940 -9.717 -9.617
185 HA THR 23 HA THR 23 -1.090 -10.523 -12.343
186 HB THR 23 HB THR 23 -1.231 -8.280 -12.998
187 HG1 THR 23 HG1 THR 23 -1.930 -6.782 -11.235
188 HG21 THR 23 HG21 THR 23 -3.568 -8.546 -11.063
189 HG22 THR 23 HG22 THR 23 -3.491 -7.623 -12.575
190 HG23 THR 23 HG23 THR 23 -3.476 -9.394 -12.625
191 H ASN 24 H ASN 24 0.362 -10.005 -9.370
192 HA ASN 24 HA ASN 24 2.392 -9.698 -8.575
193 HB2 ASN 24 HB2 ASN 24 3.461 -10.379 -11.331
194 HB3 ASN 24 HB3 ASN 24 4.395 -10.328 -9.830
195 HD21 ASN 24 HD21 ASN 24 2.948 -12.464 -11.886
196 HD22 ASN 24 HD22 ASN 24 2.657 -13.760 -10.721
197 H ALA 25 H ALA 25 0.927 -7.409 -10.112
198 HA ALA 25 HA ALA 25 3.016 -5.454 -10.600
199 HB1 ALA 25 HB1 ALA 25 0.050 -5.092 -9.993
200 HB2 ALA 25 HB2 ALA 25 1.141 -3.869 -10.675
201 HB3 ALA 25 HB3 ALA 25 0.757 -5.327 -11.610
202 H SER 26 H SER 26 3.355 -3.485 -9.313
203 HA SER 26 HA SER 26 2.500 -3.465 -6.521
204 HB2 SER 26 HB2 SER 26 4.796 -3.225 -5.599
205 HB3 SER 26 HB3 SER 26 4.451 -4.831 -6.241
206 HG SER 26 HG SER 26 5.901 -2.771 -7.579
207 H GLN 27 H GLN 27 2.731 -1.492 -5.444
208 HA GLN 27 HA GLN 27 3.855 0.844 -6.809
209 HB2 GLN 27 HB2 GLN 27 1.795 2.050 -7.079
210 HB3 GLN 27 HB3 GLN 27 1.661 0.514 -7.938
211 HG2 GLN 27 HG2 GLN 27 0.298 -0.409 -6.072
212 HG3 GLN 27 HG3 GLN 27 0.445 1.117 -5.213
213 HE21 GLN 27 HE21 GLN 27 -1.481 2.182 -5.327
214 HE22 GLN 27 HE22 GLN 27 -2.460 2.323 -6.802
215 H PHE 28 H PHE 28 3.942 2.735 -5.464
216 HA PHE 28 HA PHE 28 3.891 2.162 -2.600
217 HB2 PHE 28 HB2 PHE 28 5.805 3.244 -3.182
218 HB3 PHE 28 HB3 PHE 28 4.978 4.381 -4.253
219 HD1 PHE 28 HD1 PHE 28 5.788 3.633 -0.712
220 HD2 PHE 28 HD2 PHE 28 3.931 6.413 -3.441
221 HE1 PHE 28 HE1 PHE 28 5.702 5.344 1.085
222 HE2 PHE 28 HE2 PHE 28 3.834 8.117 -1.639
223 HZ PHE 28 HZ PHE 28 4.725 7.588 0.627
224 H GLU 29 H GLU 29 1.935 4.251 -4.664
225 HA GLU 29 HA GLU 29 0.484 5.429 -2.470
226 HB2 GLU 29 HB2 GLU 29 0.671 6.660 -4.482
227 HB3 GLU 29 HB3 GLU 29 0.114 5.313 -5.461
228 HG2 GLU 29 HG2 GLU 29 -1.541 7.027 -5.429
229 HG3 GLU 29 HG3 GLU 29 -2.168 5.576 -4.671
230 H ARG 30 H ARG 30 -1.588 5.057 -1.709
231 HA ARG 30 HA ARG 30 -2.248 2.328 -1.369
232 HB2 ARG 30 HB2 ARG 30 -2.567 3.793 0.360
233 HB3 ARG 30 HB3 ARG 30 -3.640 4.857 -0.548
234 HG2 ARG 30 HG2 ARG 30 -4.421 1.961 -0.080
235 HG3 ARG 30 HG3 ARG 30 -4.575 3.133 1.240
236 HD2 ARG 30 HD2 ARG 30 -6.383 4.144 0.365
237 HD3 ARG 30 HD3 ARG 30 -5.709 4.193 -1.251
238 HE ARG 30 HE ARG 30 -6.538 2.034 -1.755
239 HH11 ARG 30 HH11 ARG 30 -7.801 3.069 1.366
240 HH12 ARG 30 HH12 ARG 30 -9.229 2.083 1.158
241 HH21 ARG 30 HH21 ARG 30 -8.314 0.935 -1.939
242 HH22 ARG 30 HH22 ARG 30 -9.413 0.726 -0.572
243 HA PRO 31 HA PRO 31 -4.226 1.591 -5.218
244 HB2 PRO 31 HB2 PRO 31 -5.441 -0.826 -3.894
245 HB3 PRO 31 HB3 PRO 31 -4.527 -0.709 -5.429
246 HG2 PRO 31 HG2 PRO 31 -3.383 -1.634 -3.124
247 HG3 PRO 31 HG3 PRO 31 -2.463 -0.577 -4.258
248 HD2 PRO 31 HD2 PRO 31 -3.853 0.132 -1.670
249 HD3 PRO 31 HD3 PRO 31 -2.275 0.652 -2.342
250 H SER 32 H SER 32 -5.999 2.366 -6.221
251 HA SER 32 HA SER 32 -8.577 2.663 -4.815
252 HB2 SER 32 HB2 SER 32 -9.238 3.881 -6.854
253 HB3 SER 32 HB3 SER 32 -7.765 4.531 -6.115
254 HG SER 32 HG SER 32 -7.579 4.301 -8.392
255 H GLY 33 H GLY 33 -7.150 0.553 -7.228
256 HA2 GLY 33 HA2 GLY 33 -8.859 -1.607 -7.085
257 HA3 GLY 33 HA3 GLY 33 -9.646 -0.558 -8.264
258 H1B XYP 101 H1 XYP 34 12.892 2.285 1.822
259 H2B XYP 101 H2 XYP 34 15.628 2.688 0.484
260 H3B XYP 101 H3 XYP 34 12.917 3.930 -0.200
261 H4B XYP 101 H4 XYP 34 14.548 1.880 -1.781
262 H5B1 XYP 101 H5E XYP 34 12.767 0.270 -1.254
263 H5B2 XYP 101 H5A XYP 34 11.887 1.492 -0.313
264 HO2B XYP 101 H2O XYP 34 15.140 4.909 1.113
265 HO3B XYP 101 H3O XYP 34 14.189 4.610 -2.078
266 HO4B XYP 101 H4O XYP 34 12.691 1.971 -3.145
Start of MODEL 12
1 H1 LYS 1 H1 LYS 1 -12.591 -2.279 3.843
2 H2 LYS 1 H2 LYS 1 -11.790 -3.358 2.912
3 H3 LYS 1 H3 LYS 1 -12.694 -2.182 2.216
4 HA LYS 1 HA LYS 1 -11.270 -0.461 3.048
5 HB2 LYS 1 HB2 LYS 1 -10.541 -1.551 5.104
6 HB3 LYS 1 HB3 LYS 1 -9.632 -2.755 4.190
7 HG2 LYS 1 HG2 LYS 1 -8.175 -0.894 3.278
8 HG3 LYS 1 HG3 LYS 1 -9.070 0.242 4.304
9 HD2 LYS 1 HD2 LYS 1 -8.295 -0.977 6.322
10 HD3 LYS 1 HD3 LYS 1 -7.530 -2.201 5.301
11 HE2 LYS 1 HE2 LYS 1 -5.795 -0.748 6.055
12 HE3 LYS 1 HE3 LYS 1 -6.035 -0.452 4.329
13 HZ1 LYS 1 HZ1 LYS 1 -5.838 1.622 5.591
14 HZ2 LYS 1 HZ2 LYS 1 -7.330 1.536 4.935
15 HZ3 LYS 1 HZ3 LYS 1 -7.116 1.238 6.529
16 H LEU 2 H LEU 2 -9.344 -3.350 2.078
17 HA LEU 2 HA LEU 2 -8.172 -1.754 -0.067
18 HB2 LEU 2 HB2 LEU 2 -6.986 -3.114 1.787
19 HB3 LEU 2 HB3 LEU 2 -7.451 -4.547 0.857
20 HG LEU 2 HG LEU 2 -6.170 -3.530 -1.110
21 HD11 LEU 2 HD11 LEU 2 -6.071 -1.161 -0.328
22 HD12 LEU 2 HD12 LEU 2 -5.143 -1.674 1.098
23 HD13 LEU 2 HD13 LEU 2 -4.456 -1.838 -0.534
24 HD21 LEU 2 HD21 LEU 2 -4.640 -4.073 1.470
25 HD22 LEU 2 HD22 LEU 2 -5.253 -5.301 0.347
26 HD23 LEU 2 HD23 LEU 2 -3.978 -4.183 -0.181
27 HA PRO 3 HA PRO 3 -10.686 -3.728 -3.158
28 HB2 PRO 3 HB2 PRO 3 -9.272 -3.179 -5.482
29 HB3 PRO 3 HB3 PRO 3 -10.265 -1.994 -4.577
30 HG2 PRO 3 HG2 PRO 3 -7.272 -2.431 -4.402
31 HG3 PRO 3 HG3 PRO 3 -8.161 -0.892 -4.557
32 HD2 PRO 3 HD2 PRO 3 -7.272 -1.777 -2.172
33 HD3 PRO 3 HD3 PRO 3 -8.868 -0.978 -2.329
34 HA PRO 4 HA PRO 4 -9.533 -7.840 -3.906
35 HB2 PRO 4 HB2 PRO 4 -10.290 -7.521 -6.816
36 HB3 PRO 4 HB3 PRO 4 -10.747 -8.820 -5.665
37 HG2 PRO 4 HG2 PRO 4 -12.495 -6.832 -6.200
38 HG3 PRO 4 HG3 PRO 4 -12.243 -7.352 -4.499
39 HD2 PRO 4 HD2 PRO 4 -11.044 -4.967 -5.935
40 HD3 PRO 4 HD3 PRO 4 -11.789 -5.062 -4.308
41 H GLY 5 H GLY 5 -7.821 -9.100 -4.344
42 HA2 GLY 5 HA2 GLY 5 -5.906 -9.941 -5.313
43 HA3 GLY 5 HA3 GLY 5 -5.978 -8.689 -6.568
44 H TRP 6 H TRP 6 -6.038 -6.589 -4.232
45 HA TRP 6 HA TRP 6 -3.134 -6.322 -4.009
46 HB2 TRP 6 HB2 TRP 6 -5.389 -4.602 -2.982
47 HB3 TRP 6 HB3 TRP 6 -3.685 -4.237 -2.766
48 HD1 TRP 6 HD1 TRP 6 -6.428 -4.196 -5.330
49 HE1 TRP 6 HE1 TRP 6 -5.690 -2.919 -7.438
50 HE3 TRP 6 HE3 TRP 6 -1.441 -3.830 -4.297
51 HZ2 TRP 6 HZ2 TRP 6 -3.176 -2.129 -8.649
52 HZ3 TRP 6 HZ3 TRP 6 0.128 -2.851 -5.983
53 HH2 TRP 6 HH2 TRP 6 -0.729 -2.023 -8.154
54 H GLU 7 H GLU 7 -1.885 -6.243 -2.196
55 HA GLU 7 HA GLU 7 -3.022 -6.657 0.492
56 HB2 GLU 7 HB2 GLU 7 -2.440 -8.922 -0.481
57 HB3 GLU 7 HB3 GLU 7 -0.759 -8.383 -0.606
58 HG2 GLU 7 HG2 GLU 7 -0.678 -8.060 1.846
59 HG3 GLU 7 HG3 GLU 7 -2.382 -8.496 1.974
60 H LYS 8 H LYS 8 -1.699 -5.691 2.122
61 HA LYS 8 HA LYS 8 0.212 -3.684 1.229
62 HB2 LYS 8 HB2 LYS 8 -0.731 -4.576 3.962
63 HB3 LYS 8 HB3 LYS 8 0.646 -3.473 3.765
64 HG2 LYS 8 HG2 LYS 8 -0.680 -1.931 2.434
65 HG3 LYS 8 HG3 LYS 8 -2.076 -3.024 2.494
66 HD2 LYS 8 HD2 LYS 8 -2.530 -1.312 4.054
67 HD3 LYS 8 HD3 LYS 8 -2.047 -2.707 5.039
68 HE2 LYS 8 HE2 LYS 8 0.275 -1.758 5.177
69 HE3 LYS 8 HE3 LYS 8 -0.248 -0.382 4.193
70 HZ1 LYS 8 HZ1 LYS 8 -0.294 0.144 6.567
71 HZ2 LYS 8 HZ2 LYS 8 -1.808 0.207 5.964
72 HZ3 LYS 8 HZ3 LYS 8 -1.340 -1.071 6.872
73 H ARG 9 H ARG 9 2.340 -3.532 1.516
74 HA ARG 9 HA ARG 9 3.972 -5.966 2.065
75 HB2 ARG 9 HB2 ARG 9 3.093 -5.705 -0.402
76 HB3 ARG 9 HB3 ARG 9 4.211 -4.358 -0.513
77 HG2 ARG 9 HG2 ARG 9 5.216 -6.299 -1.491
78 HG3 ARG 9 HG3 ARG 9 6.092 -5.965 0.019
79 HD2 ARG 9 HD2 ARG 9 4.764 -7.752 1.147
80 HD3 ARG 9 HD3 ARG 9 3.910 -8.073 -0.373
81 HE ARG 9 HE ARG 9 6.680 -8.793 0.359
82 HH11 ARG 9 HH11 ARG 9 4.407 -8.664 -2.317
83 HH12 ARG 9 HH12 ARG 9 5.330 -9.796 -3.258
84 HH21 ARG 9 HH21 ARG 9 7.802 -10.206 -0.909
85 HH22 ARG 9 HH22 ARG 9 7.196 -10.638 -2.484
86 H MET 10 H MET 10 6.361 -5.434 2.092
87 HA MET 10 HA MET 10 6.971 -2.621 2.781
88 HB2 MET 10 HB2 MET 10 7.244 -4.865 4.834
89 HB3 MET 10 HB3 MET 10 7.747 -3.179 5.016
90 HG2 MET 10 HG2 MET 10 5.833 -3.191 6.230
91 HG3 MET 10 HG3 MET 10 5.239 -2.607 4.671
92 HE1 MET 10 HE1 MET 10 3.176 -3.426 6.750
93 HE2 MET 10 HE2 MET 10 2.743 -3.081 5.059
94 HE3 MET 10 HE3 MET 10 2.110 -4.537 5.858
95 H PHE 11 H PHE 11 9.022 -2.075 2.682
96 HA PHE 11 HA PHE 11 11.076 -3.900 1.706
97 HB2 PHE 11 HB2 PHE 11 11.022 -0.953 2.333
98 HB3 PHE 11 HB3 PHE 11 12.506 -1.798 1.888
99 HD1 PHE 11 HD1 PHE 11 9.417 -0.331 0.634
100 HD2 PHE 11 HD2 PHE 11 12.741 -2.895 -0.358
101 HE1 PHE 11 HE1 PHE 11 8.932 -0.026 -1.783
102 HE2 PHE 11 HE2 PHE 11 12.249 -2.593 -2.774
103 HZ PHE 11 HZ PHE 11 10.346 -1.157 -3.490
104 H ALA 12 H ALA 12 13.179 -4.214 2.649
105 HA ALA 12 HA ALA 12 13.151 -5.022 5.379
106 HB1 ALA 12 HB1 ALA 12 15.564 -5.391 5.008
107 HB2 ALA 12 HB2 ALA 12 14.612 -5.976 3.630
108 HB3 ALA 12 HB3 ALA 12 15.495 -4.434 3.513
109 H ASN 13 H ASN 13 13.785 -1.877 4.009
110 HA ASN 13 HA ASN 13 15.124 -0.784 6.372
111 HB2 ASN 13 HB2 ASN 13 15.139 1.297 5.122
112 HB3 ASN 13 HB3 ASN 13 15.674 -0.037 4.091
113 HD21 ASN 13 HD21 ASN 13 15.217 1.561 2.387
114 H GLY 14 H GLY 14 11.900 -1.593 5.879
115 HA2 GLY 14 HA2 GLY 14 10.165 -1.241 7.402
116 HA3 GLY 14 HA3 GLY 14 10.983 0.184 8.063
117 H THR 15 H THR 15 10.640 0.117 4.577
118 HA THR 15 HA THR 15 8.617 2.290 4.666
119 HB THR 15 HB THR 15 10.297 1.133 2.417
120 HG1 THR 15 HG1 THR 15 11.520 2.159 3.842
121 HG21 THR 15 HG21 THR 15 8.314 2.166 1.454
122 HG22 THR 15 HG22 THR 15 8.606 3.649 2.405
123 HG23 THR 15 HG23 THR 15 9.755 3.128 1.140
124 H VAL 16 H VAL 16 6.519 2.016 4.080
125 HA VAL 16 HA VAL 16 5.571 -0.673 3.331
126 HB VAL 16 HB VAL 16 4.059 1.808 4.220
127 HG11 VAL 16 HG11 VAL 16 2.228 0.196 4.736
128 HG12 VAL 16 HG12 VAL 16 2.561 0.335 3.010
129 HG13 VAL 16 HG13 VAL 16 3.159 -1.079 3.911
130 HG21 VAL 16 HG21 VAL 16 3.820 0.651 6.393
131 HG22 VAL 16 HG22 VAL 16 4.884 -0.648 5.823
132 HG23 VAL 16 HG23 VAL 16 5.513 0.999 6.037
133 H TYR 17 H TYR 17 4.372 -1.158 1.558
134 HA TYR 17 HA TYR 17 3.415 0.853 -0.341
135 HB2 TYR 17 HB2 TYR 17 4.636 0.042 -2.238
136 HB3 TYR 17 HB3 TYR 17 5.796 0.512 -1.009
137 HD1 TYR 17 HD1 TYR 17 7.018 -1.298 0.310
138 HD2 TYR 17 HD2 TYR 17 4.616 -2.146 -3.175
139 HE1 TYR 17 HE1 TYR 17 8.295 -3.399 -0.070
140 HE2 TYR 17 HE2 TYR 17 5.856 -4.278 -3.509
141 HH TYR 17 HH TYR 17 8.623 -5.188 -1.438
142 H TYR 18 H TYR 18 2.667 -0.747 -2.390
143 HA TYR 18 HA TYR 18 0.941 -2.847 -1.175
144 HB2 TYR 18 HB2 TYR 18 0.215 -0.714 -3.201
145 HB3 TYR 18 HB3 TYR 18 -0.807 -2.089 -2.758
146 HD1 TYR 18 HD1 TYR 18 0.702 1.067 -1.525
147 HD2 TYR 18 HD2 TYR 18 -1.984 -2.193 -0.645
148 HE1 TYR 18 HE1 TYR 18 -0.076 2.271 0.493
149 HE2 TYR 18 HE2 TYR 18 -2.845 -0.940 1.319
150 HH TYR 18 HH TYR 18 -1.487 2.222 2.303
151 H PHE 19 H PHE 19 0.558 -4.700 -2.217
152 HA PHE 19 HA PHE 19 1.813 -5.134 -4.870
153 HB2 PHE 19 HB2 PHE 19 3.433 -5.919 -3.398
154 HB3 PHE 19 HB3 PHE 19 2.230 -6.694 -2.358
155 HD1 PHE 19 HD1 PHE 19 4.021 -6.959 -5.582
156 HD2 PHE 19 HD2 PHE 19 1.391 -8.955 -2.794
157 HE1 PHE 19 HE1 PHE 19 4.419 -9.112 -6.743
158 HE2 PHE 19 HE2 PHE 19 1.865 -11.109 -3.903
159 HZ PHE 19 HZ PHE 19 3.353 -11.202 -5.894
160 H ASN 20 H ASN 20 0.740 -6.212 -6.376
161 HA ASN 20 HA ASN 20 -1.942 -7.280 -5.664
162 HB2 ASN 20 HB2 ASN 20 -1.696 -5.589 -7.480
163 HB3 ASN 20 HB3 ASN 20 -0.721 -6.757 -8.396
164 HD21 ASN 20 HD21 ASN 20 -3.562 -5.476 -8.686
165 HD22 ASN 20 HD22 ASN 20 -4.543 -6.891 -9.075
166 H HIS 21 H HIS 21 -1.923 -9.376 -5.068
167 HA HIS 21 HA HIS 21 0.323 -11.107 -5.711
168 HB2 HIS 21 HB2 HIS 21 -0.405 -12.401 -4.032
169 HB3 HIS 21 HB3 HIS 21 -1.327 -10.971 -3.589
170 HD2 HIS 21 HD2 HIS 21 -4.005 -11.004 -4.161
171 HE1 HIS 21 HE1 HIS 21 -4.334 -15.160 -4.983
172 HE2 HIS 21 HE2 HIS 21 -5.638 -13.040 -4.493
173 H ILE 22 H ILE 22 -2.704 -10.525 -7.287
174 HA ILE 22 HA ILE 22 -2.860 -13.102 -8.624
175 HB ILE 22 HB ILE 22 -4.372 -10.493 -9.085
176 HG12 ILE 22 HG12 ILE 22 -4.957 -13.002 -7.438
177 HG13 ILE 22 HG13 ILE 22 -4.728 -11.348 -6.838
178 HG21 ILE 22 HG21 ILE 22 -4.442 -11.940 -11.087
179 HG22 ILE 22 HG22 ILE 22 -4.975 -13.310 -10.085
180 HG23 ILE 22 HG23 ILE 22 -6.008 -11.876 -10.307
181 HD11 ILE 22 HD11 ILE 22 -7.028 -11.886 -6.678
182 HD12 ILE 22 HD12 ILE 22 -6.850 -10.680 -7.975
183 HD13 ILE 22 HD13 ILE 22 -7.121 -12.401 -8.366
184 H THR 23 H THR 23 -1.824 -9.814 -9.439
185 HA THR 23 HA THR 23 -0.953 -10.641 -12.156
186 HB THR 23 HB THR 23 -1.211 -8.421 -12.858
187 HG1 THR 23 HG1 THR 23 -2.056 -7.042 -10.932
188 HG21 THR 23 HG21 THR 23 -3.507 -8.801 -10.885
189 HG22 THR 23 HG22 THR 23 -3.495 -7.835 -12.375
190 HG23 THR 23 HG23 THR 23 -3.397 -9.603 -12.468
191 H ASN 24 H ASN 24 0.510 -10.051 -9.219
192 HA ASN 24 HA ASN 24 2.538 -9.638 -8.456
193 HB2 ASN 24 HB2 ASN 24 3.539 -10.379 -11.224
194 HB3 ASN 24 HB3 ASN 24 4.552 -10.168 -9.791
195 HD21 ASN 24 HD21 ASN 24 4.561 -11.765 -8.158
196 HD22 ASN 24 HD22 ASN 24 3.780 -13.327 -8.423
197 H ALA 25 H ALA 25 0.984 -7.422 -10.081
198 HA ALA 25 HA ALA 25 3.009 -5.408 -10.558
199 HB1 ALA 25 HB1 ALA 25 0.033 -5.116 -9.960
200 HB2 ALA 25 HB2 ALA 25 1.096 -3.878 -10.656
201 HB3 ALA 25 HB3 ALA 25 0.748 -5.356 -11.572
202 H SER 26 H SER 26 3.276 -3.410 -9.278
203 HA SER 26 HA SER 26 2.424 -3.401 -6.499
204 HB2 SER 26 HB2 SER 26 4.664 -3.179 -5.512
205 HB3 SER 26 HB3 SER 26 4.391 -4.776 -6.211
206 HG SER 26 HG SER 26 5.618 -4.180 -7.994
207 H GLN 27 H GLN 27 2.651 -1.427 -5.422
208 HA GLN 27 HA GLN 27 3.763 0.911 -6.792
209 HB2 GLN 27 HB2 GLN 27 1.698 2.110 -7.065
210 HB3 GLN 27 HB3 GLN 27 1.570 0.573 -7.923
211 HG2 GLN 27 HG2 GLN 27 0.212 -0.351 -6.049
212 HG3 GLN 27 HG3 GLN 27 0.340 1.187 -5.206
213 HE21 GLN 27 HE21 GLN 27 -1.581 2.264 -5.358
214 HE22 GLN 27 HE22 GLN 27 -2.561 2.356 -6.836
215 H PHE 28 H PHE 28 3.894 2.779 -5.439
216 HA PHE 28 HA PHE 28 3.819 2.204 -2.578
217 HB2 PHE 28 HB2 PHE 28 5.744 3.275 -3.154
218 HB3 PHE 28 HB3 PHE 28 4.927 4.424 -4.220
219 HD1 PHE 28 HD1 PHE 28 5.735 3.655 -0.685
220 HD2 PHE 28 HD2 PHE 28 3.878 6.453 -3.396
221 HE1 PHE 28 HE1 PHE 28 5.652 5.356 1.123
222 HE2 PHE 28 HE2 PHE 28 3.782 8.146 -1.584
223 HZ PHE 28 HZ PHE 28 4.674 7.603 0.679
224 H GLU 29 H GLU 29 1.888 4.313 -4.637
225 HA GLU 29 HA GLU 29 0.453 5.519 -2.434
226 HB2 GLU 29 HB2 GLU 29 0.762 6.641 -4.554
227 HB3 GLU 29 HB3 GLU 29 -0.144 5.378 -5.411
228 HG2 GLU 29 HG2 GLU 29 -2.197 5.984 -4.221
229 HG3 GLU 29 HG3 GLU 29 -1.313 7.145 -3.224
230 H ARG 30 H ARG 30 -1.527 5.054 -1.547
231 HA ARG 30 HA ARG 30 -2.283 2.347 -1.373
232 HB2 ARG 30 HB2 ARG 30 -2.528 3.855 0.429
233 HB3 ARG 30 HB3 ARG 30 -3.641 4.895 -0.450
234 HG2 ARG 30 HG2 ARG 30 -4.347 1.992 0.089
235 HG3 ARG 30 HG3 ARG 30 -4.513 3.205 1.366
236 HD2 ARG 30 HD2 ARG 30 -6.374 4.105 0.499
237 HD3 ARG 30 HD3 ARG 30 -5.715 4.173 -1.120
238 HE ARG 30 HE ARG 30 -6.503 2.005 -1.624
239 HH11 ARG 30 HH11 ARG 30 -8.962 1.797 1.488
240 HH12 ARG 30 HH12 ARG 30 -7.590 2.874 1.621
241 HH21 ARG 30 HH21 ARG 30 -8.209 0.795 -1.699
242 HH22 ARG 30 HH22 ARG 30 -9.250 0.553 -0.289
243 HA PRO 31 HA PRO 31 -4.480 2.006 -5.168
244 HB2 PRO 31 HB2 PRO 31 -5.373 -0.586 -5.043
245 HB3 PRO 31 HB3 PRO 31 -3.655 -0.118 -5.229
246 HG2 PRO 31 HG2 PRO 31 -5.086 -0.848 -2.654
247 HG3 PRO 31 HG3 PRO 31 -3.531 -1.487 -3.282
248 HD2 PRO 31 HD2 PRO 31 -3.612 0.523 -1.479
249 HD3 PRO 31 HD3 PRO 31 -2.413 0.532 -2.812
250 H SER 32 H SER 32 -6.375 2.734 -5.883
251 HA SER 32 HA SER 32 -8.859 2.512 -4.301
252 HB2 SER 32 HB2 SER 32 -9.781 3.974 -6.056
253 HB3 SER 32 HB3 SER 32 -8.323 4.647 -5.308
254 HG SER 32 HG SER 32 -8.290 4.814 -7.596
255 H GLY 33 H GLY 33 -7.363 0.884 -7.001
256 HA2 GLY 33 HA2 GLY 33 -9.126 -1.318 -7.096
257 HA3 GLY 33 HA3 GLY 33 -9.676 -0.181 -8.327
258 H1B XYP 101 H1 XYP 34 12.308 1.776 1.735
259 H2B XYP 101 H2 XYP 34 14.623 3.621 0.951
260 H3B XYP 101 H3 XYP 34 11.666 3.902 0.247
261 H4B XYP 101 H4 XYP 34 13.951 3.080 -1.611
262 H5B1 XYP 101 H5E XYP 34 12.829 0.860 -1.707
263 H5B2 XYP 101 H5A XYP 34 11.636 1.402 -0.514
264 HO2B XYP 101 H2O XYP 34 12.342 3.868 2.671
265 HO3B XYP 101 H3O XYP 34 13.017 5.833 0.373
266 HO4B XYP 101 H4O XYP 34 12.120 4.333 -2.419
Start of MODEL 13
1 H1 LYS 1 H1 LYS 1 -12.421 -2.236 2.065
2 H2 LYS 1 H2 LYS 1 -12.550 -2.471 3.675
3 H3 LYS 1 H3 LYS 1 -11.611 -3.468 2.783
4 HA LYS 1 HA LYS 1 -11.153 -0.595 3.235
5 HB2 LYS 1 HB2 LYS 1 -10.775 -1.937 5.241
6 HB3 LYS 1 HB3 LYS 1 -9.612 -2.951 4.407
7 HG2 LYS 1 HG2 LYS 1 -9.224 0.064 4.642
8 HG3 LYS 1 HG3 LYS 1 -8.835 -1.030 5.963
9 HD2 LYS 1 HD2 LYS 1 -7.250 -2.273 4.442
10 HD3 LYS 1 HD3 LYS 1 -7.551 -1.053 3.199
11 HE2 LYS 1 HE2 LYS 1 -5.509 -0.494 4.283
12 HE3 LYS 1 HE3 LYS 1 -6.722 0.722 4.706
13 HZ1 LYS 1 HZ1 LYS 1 -5.902 -1.541 6.456
14 HZ2 LYS 1 HZ2 LYS 1 -5.438 0.014 6.646
15 HZ3 LYS 1 HZ3 LYS 1 -7.000 -0.396 6.853
16 H LEU 2 H LEU 2 -9.117 -3.417 2.238
17 HA LEU 2 HA LEU 2 -7.879 -1.741 0.179
18 HB2 LEU 2 HB2 LEU 2 -6.651 -3.141 1.889
19 HB3 LEU 2 HB3 LEU 2 -7.258 -4.580 1.050
20 HG LEU 2 HG LEU 2 -6.012 -3.788 -1.001
21 HD11 LEU 2 HD11 LEU 2 -5.816 -1.357 -0.457
22 HD12 LEU 2 HD12 LEU 2 -4.863 -1.760 0.983
23 HD13 LEU 2 HD13 LEU 2 -4.227 -2.090 -0.647
24 HD21 LEU 2 HD21 LEU 2 -4.384 -4.132 1.546
25 HD22 LEU 2 HD22 LEU 2 -5.067 -5.437 0.559
26 HD23 LEU 2 HD23 LEU 2 -3.795 -4.395 -0.117
27 HA PRO 3 HA PRO 3 -10.428 -3.488 -2.992
28 HB2 PRO 3 HB2 PRO 3 -8.254 -3.242 -5.008
29 HB3 PRO 3 HB3 PRO 3 -9.858 -2.453 -4.964
30 HG2 PRO 3 HG2 PRO 3 -7.543 -1.093 -4.424
31 HG3 PRO 3 HG3 PRO 3 -9.085 -0.733 -3.574
32 HD2 PRO 3 HD2 PRO 3 -6.754 -2.407 -2.603
33 HD3 PRO 3 HD3 PRO 3 -7.704 -1.154 -1.758
34 HA PRO 4 HA PRO 4 -9.613 -7.807 -3.736
35 HB2 PRO 4 HB2 PRO 4 -10.434 -7.346 -6.607
36 HB3 PRO 4 HB3 PRO 4 -10.959 -8.633 -5.473
37 HG2 PRO 4 HG2 PRO 4 -12.569 -6.509 -5.942
38 HG3 PRO 4 HG3 PRO 4 -12.339 -7.093 -4.259
39 HD2 PRO 4 HD2 PRO 4 -10.977 -4.763 -5.643
40 HD3 PRO 4 HD3 PRO 4 -11.717 -4.841 -4.012
41 H GLY 5 H GLY 5 -7.929 -9.102 -4.319
42 HA2 GLY 5 HA2 GLY 5 -6.032 -9.887 -5.350
43 HA3 GLY 5 HA3 GLY 5 -6.167 -8.608 -6.572
44 H TRP 6 H TRP 6 -6.110 -6.550 -4.200
45 HA TRP 6 HA TRP 6 -3.189 -6.322 -4.086
46 HB2 TRP 6 HB2 TRP 6 -5.393 -4.541 -3.064
47 HB3 TRP 6 HB3 TRP 6 -3.683 -4.220 -2.822
48 HD1 TRP 6 HD1 TRP 6 -6.364 -4.216 -5.478
49 HE1 TRP 6 HE1 TRP 6 -5.584 -2.937 -7.561
50 HE3 TRP 6 HE3 TRP 6 -1.416 -3.771 -4.294
51 HZ2 TRP 6 HZ2 TRP 6 -3.055 -2.101 -8.694
52 HZ3 TRP 6 HZ3 TRP 6 0.187 -2.750 -5.938
53 HH2 TRP 6 HH2 TRP 6 -0.627 -1.950 -8.131
54 H GLU 7 H GLU 7 -1.891 -6.258 -2.303
55 HA GLU 7 HA GLU 7 -2.921 -6.907 0.385
56 HB2 GLU 7 HB2 GLU 7 -2.491 -9.089 -0.563
57 HB3 GLU 7 HB3 GLU 7 -0.985 -8.548 -1.275
58 HG2 GLU 7 HG2 GLU 7 -0.546 -10.034 0.547
59 HG3 GLU 7 HG3 GLU 7 0.118 -8.445 0.868
60 H LYS 8 H LYS 8 -1.627 -6.112 2.063
61 HA LYS 8 HA LYS 8 0.203 -3.953 1.354
62 HB2 LYS 8 HB2 LYS 8 -0.850 -5.015 3.977
63 HB3 LYS 8 HB3 LYS 8 0.530 -3.901 3.935
64 HG2 LYS 8 HG2 LYS 8 -0.752 -2.309 2.563
65 HG3 LYS 8 HG3 LYS 8 -2.156 -3.394 2.606
66 HD2 LYS 8 HD2 LYS 8 -2.557 -1.669 4.188
67 HD3 LYS 8 HD3 LYS 8 -2.153 -3.114 5.138
68 HE2 LYS 8 HE2 LYS 8 0.203 -2.284 5.352
69 HE3 LYS 8 HE3 LYS 8 -0.220 -0.858 4.396
70 HZ1 LYS 8 HZ1 LYS 8 -1.778 -0.221 6.149
71 HZ2 LYS 8 HZ2 LYS 8 -1.410 -1.552 7.029
72 HZ3 LYS 8 HZ3 LYS 8 -0.284 -0.398 6.781
73 H ARG 9 H ARG 9 2.283 -3.677 1.717
74 HA ARG 9 HA ARG 9 4.077 -5.974 2.408
75 HB2 ARG 9 HB2 ARG 9 4.148 -4.169 -0.041
76 HB3 ARG 9 HB3 ARG 9 5.544 -5.093 0.494
77 HG2 ARG 9 HG2 ARG 9 2.925 -6.350 -0.298
78 HG3 ARG 9 HG3 ARG 9 4.309 -6.106 -1.376
79 HD2 ARG 9 HD2 ARG 9 5.712 -7.435 0.307
80 HD3 ARG 9 HD3 ARG 9 4.179 -7.884 1.080
81 HE ARG 9 HE ARG 9 3.686 -9.303 -0.696
82 HH11 ARG 9 HH11 ARG 9 4.153 -10.535 -2.471
83 HH12 ARG 9 HH12 ARG 9 5.528 -10.154 -3.463
84 HH21 ARG 9 HH21 ARG 9 6.514 -7.414 -1.668
85 HH22 ARG 9 HH22 ARG 9 6.827 -8.472 -3.013
86 H MET 10 H MET 10 6.317 -5.305 2.614
87 HA MET 10 HA MET 10 6.916 -2.521 3.202
88 HB2 MET 10 HB2 MET 10 5.845 -3.278 5.331
89 HB3 MET 10 HB3 MET 10 7.109 -4.514 5.493
90 HG2 MET 10 HG2 MET 10 8.810 -2.650 5.487
91 HG3 MET 10 HG3 MET 10 7.474 -1.488 5.509
92 HE1 MET 10 HE1 MET 10 5.362 -2.600 7.525
93 HE2 MET 10 HE2 MET 10 5.959 -1.995 9.083
94 HE3 MET 10 HE3 MET 10 6.014 -0.949 7.651
95 H PHE 11 H PHE 11 8.965 -2.045 2.815
96 HA PHE 11 HA PHE 11 10.919 -4.001 1.970
97 HB2 PHE 11 HB2 PHE 11 10.965 -1.002 2.287
98 HB3 PHE 11 HB3 PHE 11 12.401 -1.922 1.842
99 HD1 PHE 11 HD1 PHE 11 12.309 -3.467 -0.223
100 HD2 PHE 11 HD2 PHE 11 9.455 -0.329 0.561
101 HE1 PHE 11 HE1 PHE 11 11.696 -3.417 -2.631
102 HE2 PHE 11 HE2 PHE 11 8.863 -0.265 -1.850
103 HZ PHE 11 HZ PHE 11 9.977 -1.813 -3.447
104 H ALA 12 H ALA 12 13.130 -4.189 2.739
105 HA ALA 12 HA ALA 12 13.341 -4.812 5.500
106 HB1 ALA 12 HB1 ALA 12 15.518 -4.243 3.437
107 HB2 ALA 12 HB2 ALA 12 15.735 -5.106 4.974
108 HB3 ALA 12 HB3 ALA 12 14.714 -5.809 3.707
109 H ASN 13 H ASN 13 13.791 -1.725 3.903
110 HA ASN 13 HA ASN 13 15.173 -0.486 6.183
111 HB2 ASN 13 HB2 ASN 13 15.233 1.506 4.813
112 HB3 ASN 13 HB3 ASN 13 15.768 0.100 3.882
113 HD21 ASN 13 HD21 ASN 13 15.400 1.317 1.987
114 H GLY 14 H GLY 14 11.979 -1.348 5.813
115 HA2 GLY 14 HA2 GLY 14 10.263 -0.880 7.307
116 HA3 GLY 14 HA3 GLY 14 11.088 0.589 7.856
117 H THR 15 H THR 15 10.687 0.299 4.389
118 HA THR 15 HA THR 15 8.643 2.460 4.376
119 HB THR 15 HB THR 15 10.319 1.164 2.186
120 HG1 THR 15 HG1 THR 15 11.591 2.345 3.347
121 HG21 THR 15 HG21 THR 15 8.463 3.562 2.013
122 HG22 THR 15 HG22 THR 15 9.673 3.098 0.788
123 HG23 THR 15 HG23 THR 15 8.317 2.022 1.124
124 H VAL 16 H VAL 16 6.534 2.122 3.800
125 HA VAL 16 HA VAL 16 5.632 -0.677 3.368
126 HB VAL 16 HB VAL 16 4.246 1.919 4.134
127 HG11 VAL 16 HG11 VAL 16 2.920 -0.788 3.693
128 HG12 VAL 16 HG12 VAL 16 2.175 0.612 4.488
129 HG13 VAL 16 HG13 VAL 16 2.602 0.708 2.783
130 HG21 VAL 16 HG21 VAL 16 5.532 0.760 5.914
131 HG22 VAL 16 HG22 VAL 16 3.793 0.710 6.235
132 HG23 VAL 16 HG23 VAL 16 4.614 -0.731 5.596
133 H TYR 17 H TYR 17 4.470 -1.350 1.631
134 HA TYR 17 HA TYR 17 3.649 0.516 -0.474
135 HB2 TYR 17 HB2 TYR 17 4.659 -0.630 -2.301
136 HB3 TYR 17 HB3 TYR 17 5.879 -0.004 -1.202
137 HD1 TYR 17 HD1 TYR 17 7.141 -1.590 0.338
138 HD2 TYR 17 HD2 TYR 17 4.626 -2.954 -2.892
139 HE1 TYR 17 HE1 TYR 17 8.428 -3.718 0.224
140 HE2 TYR 17 HE2 TYR 17 5.936 -5.062 -3.026
141 HH TYR 17 HH TYR 17 8.746 -5.677 -0.918
142 H TYR 18 H TYR 18 2.570 -0.995 -2.311
143 HA TYR 18 HA TYR 18 0.952 -3.151 -1.044
144 HB2 TYR 18 HB2 TYR 18 0.047 -1.089 -3.091
145 HB3 TYR 18 HB3 TYR 18 -0.897 -2.448 -2.481
146 HD1 TYR 18 HD1 TYR 18 0.450 0.898 -1.650
147 HD2 TYR 18 HD2 TYR 18 -1.844 -2.481 -0.263
148 HE1 TYR 18 HE1 TYR 18 -0.443 2.275 0.238
149 HE2 TYR 18 HE2 TYR 18 -2.738 -1.106 1.594
150 HH TYR 18 HH TYR 18 -1.649 2.249 2.178
151 H PHE 19 H PHE 19 0.504 -4.933 -2.255
152 HA PHE 19 HA PHE 19 1.742 -5.208 -4.931
153 HB2 PHE 19 HB2 PHE 19 3.385 -6.108 -3.589
154 HB3 PHE 19 HB3 PHE 19 2.205 -6.880 -2.515
155 HD1 PHE 19 HD1 PHE 19 3.889 -7.158 -5.802
156 HD2 PHE 19 HD2 PHE 19 1.290 -9.067 -2.935
157 HE1 PHE 19 HE1 PHE 19 4.189 -9.319 -6.971
158 HE2 PHE 19 HE2 PHE 19 1.628 -11.237 -4.086
159 HZ PHE 19 HZ PHE 19 3.060 -11.369 -6.117
160 H ASN 20 H ASN 20 0.684 -6.237 -6.488
161 HA ASN 20 HA ASN 20 -2.046 -7.224 -5.838
162 HB2 ASN 20 HB2 ASN 20 -1.707 -5.449 -7.556
163 HB3 ASN 20 HB3 ASN 20 -0.781 -6.605 -8.533
164 HD21 ASN 20 HD21 ASN 20 -3.434 -5.191 -8.988
165 HD22 ASN 20 HD22 ASN 20 -4.531 -6.521 -9.368
166 H HIS 21 H HIS 21 -2.019 -9.342 -5.254
167 HA HIS 21 HA HIS 21 0.121 -11.107 -6.142
168 HB2 HIS 21 HB2 HIS 21 -0.431 -12.428 -4.436
169 HB3 HIS 21 HB3 HIS 21 -1.270 -10.994 -3.853
170 HD2 HIS 21 HD2 HIS 21 -4.038 -10.977 -4.381
171 HE1 HIS 21 HE1 HIS 21 -4.369 -15.222 -4.606
172 HE2 HIS 21 HE2 HIS 21 -5.673 -13.050 -4.350
173 H ILE 22 H ILE 22 -2.845 -10.289 -7.604
174 HA ILE 22 HA ILE 22 -3.245 -12.808 -9.025
175 HB ILE 22 HB ILE 22 -4.356 -10.041 -9.626
176 HG12 ILE 22 HG12 ILE 22 -4.968 -10.589 -7.331
177 HG13 ILE 22 HG13 ILE 22 -6.370 -10.599 -8.402
178 HG21 ILE 22 HG21 ILE 22 -6.206 -11.318 -10.707
179 HG22 ILE 22 HG22 ILE 22 -4.641 -11.491 -11.506
180 HG23 ILE 22 HG23 ILE 22 -5.255 -12.806 -10.483
181 HD11 ILE 22 HD11 ILE 22 -6.377 -13.071 -8.410
182 HD12 ILE 22 HD12 ILE 22 -4.924 -13.087 -7.381
183 HD13 ILE 22 HD13 ILE 22 -6.451 -12.427 -6.762
184 H THR 23 H THR 23 -1.806 -9.621 -9.646
185 HA THR 23 HA THR 23 -0.974 -10.415 -12.386
186 HB THR 23 HB THR 23 -1.117 -8.178 -13.046
187 HG1 THR 23 HG1 THR 23 -1.800 -6.670 -11.278
188 HG21 THR 23 HG21 THR 23 -3.368 -7.494 -12.602
189 HG22 THR 23 HG22 THR 23 -3.368 -9.265 -12.666
190 HG23 THR 23 HG23 THR 23 -3.443 -8.430 -11.097
191 H ASN 24 H ASN 24 0.461 -9.910 -9.412
192 HA ASN 24 HA ASN 24 2.480 -9.636 -8.605
193 HB2 ASN 24 HB2 ASN 24 3.560 -10.297 -11.361
194 HB3 ASN 24 HB3 ASN 24 4.500 -10.241 -9.863
195 HD21 ASN 24 HD21 ASN 24 3.030 -12.381 -11.908
196 HD22 ASN 24 HD22 ASN 24 2.756 -13.678 -10.739
197 H ALA 25 H ALA 25 1.064 -7.303 -10.168
198 HA ALA 25 HA ALA 25 3.190 -5.354 -10.511
199 HB1 ALA 25 HB1 ALA 25 0.210 -4.971 -9.998
200 HB2 ALA 25 HB2 ALA 25 1.343 -3.744 -10.597
201 HB3 ALA 25 HB3 ALA 25 0.971 -5.162 -11.595
202 H SER 26 H SER 26 3.545 -3.451 -9.119
203 HA SER 26 HA SER 26 2.519 -3.497 -6.398
204 HB2 SER 26 HB2 SER 26 4.706 -3.454 -5.266
205 HB3 SER 26 HB3 SER 26 4.375 -5.002 -6.045
206 HG SER 26 HG SER 26 5.742 -4.418 -7.730
207 H GLN 27 H GLN 27 2.719 -1.605 -5.250
208 HA GLN 27 HA GLN 27 4.101 0.753 -6.251
209 HB2 GLN 27 HB2 GLN 27 2.186 2.038 -6.916
210 HB3 GLN 27 HB3 GLN 27 2.118 0.515 -7.807
211 HG2 GLN 27 HG2 GLN 27 0.431 -0.324 -6.128
212 HG3 GLN 27 HG3 GLN 27 0.437 1.273 -5.395
213 HE21 GLN 27 HE21 GLN 27 -1.484 2.224 -5.941
214 HE22 GLN 27 HE22 GLN 27 -2.165 2.225 -7.579
215 H PHE 28 H PHE 28 4.175 2.398 -4.599
216 HA PHE 28 HA PHE 28 2.854 1.713 -2.050
217 HB2 PHE 28 HB2 PHE 28 4.177 3.726 -1.157
218 HB3 PHE 28 HB3 PHE 28 4.926 2.157 -1.456
219 HD1 PHE 28 HD1 PHE 28 7.023 2.232 -2.313
220 HD2 PHE 28 HD2 PHE 28 4.174 5.222 -3.532
221 HE1 PHE 28 HE1 PHE 28 8.720 3.226 -3.874
222 HE2 PHE 28 HE2 PHE 28 5.813 6.180 -5.113
223 HZ PHE 28 HZ PHE 28 8.110 5.192 -5.277
224 H GLU 29 H GLU 29 2.085 3.729 -4.620
225 HA GLU 29 HA GLU 29 0.445 5.636 -3.180
226 HB2 GLU 29 HB2 GLU 29 1.307 6.006 -5.447
227 HB3 GLU 29 HB3 GLU 29 0.340 4.647 -6.057
228 HG2 GLU 29 HG2 GLU 29 -1.746 5.800 -5.404
229 HG3 GLU 29 HG3 GLU 29 -0.811 7.134 -4.720
230 H ARG 30 H ARG 30 -1.285 5.113 -2.009
231 HA ARG 30 HA ARG 30 -2.186 2.553 -1.602
232 HB2 ARG 30 HB2 ARG 30 -2.420 4.105 0.085
233 HB3 ARG 30 HB3 ARG 30 -3.277 5.258 -0.927
234 HG2 ARG 30 HG2 ARG 30 -4.657 4.285 0.830
235 HG3 ARG 30 HG3 ARG 30 -5.316 4.061 -0.798
236 HD2 ARG 30 HD2 ARG 30 -3.827 1.707 -0.216
237 HD3 ARG 30 HD3 ARG 30 -4.643 2.105 1.277
238 HE ARG 30 HE ARG 30 -5.929 1.561 -1.383
239 HH11 ARG 30 HH11 ARG 30 -6.455 1.845 2.091
240 HH12 ARG 30 HH12 ARG 30 -8.108 1.296 1.919
241 HH21 ARG 30 HH21 ARG 30 -7.967 1.019 -1.483
242 HH22 ARG 30 HH22 ARG 30 -8.897 0.692 -0.015
243 HA PRO 31 HA PRO 31 -4.481 1.923 -5.345
244 HB2 PRO 31 HB2 PRO 31 -5.194 -0.729 -5.031
245 HB3 PRO 31 HB3 PRO 31 -3.548 -0.160 -5.448
246 HG2 PRO 31 HG2 PRO 31 -4.610 -0.847 -2.675
247 HG3 PRO 31 HG3 PRO 31 -3.106 -1.426 -3.468
248 HD2 PRO 31 HD2 PRO 31 -3.057 0.623 -1.769
249 HD3 PRO 31 HD3 PRO 31 -2.094 0.706 -3.274
250 H SER 32 H SER 32 -6.518 1.926 -6.138
251 HA SER 32 HA SER 32 -8.840 1.643 -4.261
252 HB2 SER 32 HB2 SER 32 -8.452 3.573 -6.570
253 HB3 SER 32 HB3 SER 32 -9.974 3.339 -5.692
254 HG SER 32 HG SER 32 -8.729 5.082 -4.866
255 H GLY 33 H GLY 33 -7.435 0.153 -6.920
256 HA2 GLY 33 HA2 GLY 33 -9.284 -1.832 -7.348
257 HA3 GLY 33 HA3 GLY 33 -9.814 -0.566 -8.455
258 H1B XYP 101 H1 XYP 34 12.584 2.073 1.369
259 H2B XYP 101 H2 XYP 34 15.204 2.747 -0.078
260 H3B XYP 101 H3 XYP 34 12.359 3.726 -0.640
261 H4B XYP 101 H4 XYP 34 14.091 1.828 -2.304
262 H5B1 XYP 101 H5E XYP 34 12.481 0.062 -1.696
263 H5B2 XYP 101 H5A XYP 34 11.556 1.206 -0.702
264 HO2B XYP 101 H2O XYP 34 14.686 3.861 1.950
265 HO3B XYP 101 H3O XYP 34 14.164 5.153 -1.159
266 HO4B XYP 101 H4O XYP 34 12.555 3.298 -3.339
Start of MODEL 14
1 H1 LYS 1 H1 LYS 1 -11.761 -3.658 2.729
2 H2 LYS 1 H2 LYS 1 -12.750 -2.705 1.832
3 H3 LYS 1 H3 LYS 1 -12.856 -2.690 3.461
4 HA LYS 1 HA LYS 1 -11.775 -0.712 2.704
5 HB2 LYS 1 HB2 LYS 1 -11.194 -1.654 4.890
6 HB3 LYS 1 HB3 LYS 1 -9.866 -2.567 4.196
7 HG2 LYS 1 HG2 LYS 1 -10.024 0.473 3.988
8 HG3 LYS 1 HG3 LYS 1 -9.429 -0.342 5.429
9 HD2 LYS 1 HD2 LYS 1 -7.658 -1.477 4.027
10 HD3 LYS 1 HD3 LYS 1 -8.185 -0.500 2.651
11 HE2 LYS 1 HE2 LYS 1 -6.276 0.563 3.593
12 HE3 LYS 1 HE3 LYS 1 -7.688 1.574 3.911
13 HZ1 LYS 1 HZ1 LYS 1 -6.258 1.352 5.868
14 HZ2 LYS 1 HZ2 LYS 1 -7.721 0.705 6.184
15 HZ3 LYS 1 HZ3 LYS 1 -6.442 -0.271 5.882
16 H LEU 2 H LEU 2 -9.352 -3.333 2.100
17 HA LEU 2 HA LEU 2 -8.182 -1.762 -0.059
18 HB2 LEU 2 HB2 LEU 2 -6.984 -3.077 1.792
19 HB3 LEU 2 HB3 LEU 2 -7.482 -4.542 0.933
20 HG LEU 2 HG LEU 2 -6.209 -3.646 -1.091
21 HD11 LEU 2 HD11 LEU 2 -4.463 -1.961 -0.638
22 HD12 LEU 2 HD12 LEU 2 -6.058 -1.241 -0.403
23 HD13 LEU 2 HD13 LEU 2 -5.089 -1.718 1.006
24 HD21 LEU 2 HD21 LEU 2 -5.294 -5.362 0.427
25 HD22 LEU 2 HD22 LEU 2 -4.012 -4.280 -0.159
26 HD23 LEU 2 HD23 LEU 2 -4.654 -4.096 1.492
27 HA PRO 3 HA PRO 3 -10.701 -3.733 -3.137
28 HB2 PRO 3 HB2 PRO 3 -9.330 -3.187 -5.482
29 HB3 PRO 3 HB3 PRO 3 -10.285 -1.992 -4.551
30 HG2 PRO 3 HG2 PRO 3 -7.298 -2.470 -4.449
31 HG3 PRO 3 HG3 PRO 3 -8.171 -0.918 -4.576
32 HD2 PRO 3 HD2 PRO 3 -7.225 -1.859 -2.217
33 HD3 PRO 3 HD3 PRO 3 -8.791 -0.995 -2.324
34 HA PRO 4 HA PRO 4 -9.559 -7.853 -3.926
35 HB2 PRO 4 HB2 PRO 4 -10.367 -7.505 -6.819
36 HB3 PRO 4 HB3 PRO 4 -10.799 -8.819 -5.676
37 HG2 PRO 4 HG2 PRO 4 -12.565 -6.831 -6.158
38 HG3 PRO 4 HG3 PRO 4 -12.282 -7.370 -4.467
39 HD2 PRO 4 HD2 PRO 4 -11.120 -4.962 -5.895
40 HD3 PRO 4 HD3 PRO 4 -11.833 -5.081 -4.255
41 H GLY 5 H GLY 5 -7.845 -9.095 -4.412
42 HA2 GLY 5 HA2 GLY 5 -5.914 -9.884 -5.392
43 HA3 GLY 5 HA3 GLY 5 -6.013 -8.621 -6.633
44 H TRP 6 H TRP 6 -6.120 -6.556 -4.251
45 HA TRP 6 HA TRP 6 -3.217 -6.243 -4.052
46 HB2 TRP 6 HB2 TRP 6 -5.490 -4.517 -3.084
47 HB3 TRP 6 HB3 TRP 6 -3.792 -4.149 -2.818
48 HD1 TRP 6 HD1 TRP 6 -6.447 -4.172 -5.478
49 HE1 TRP 6 HE1 TRP 6 -5.585 -3.130 -7.670
50 HE3 TRP 6 HE3 TRP 6 -1.502 -3.758 -4.267
51 HZ2 TRP 6 HZ2 TRP 6 -3.045 -2.318 -8.782
52 HZ3 TRP 6 HZ3 TRP 6 0.139 -2.868 -5.937
53 HH2 TRP 6 HH2 TRP 6 -0.625 -2.167 -8.185
54 H GLU 7 H GLU 7 -1.972 -6.099 -2.274
55 HA GLU 7 HA GLU 7 -2.962 -6.732 0.425
56 HB2 GLU 7 HB2 GLU 7 -2.479 -8.930 -0.401
57 HB3 GLU 7 HB3 GLU 7 -1.033 -8.388 -1.227
58 HG2 GLU 7 HG2 GLU 7 -0.487 -9.784 0.654
59 HG3 GLU 7 HG3 GLU 7 0.199 -8.182 0.809
60 H LYS 8 H LYS 8 -1.649 -5.856 2.061
61 HA LYS 8 HA LYS 8 0.200 -3.732 1.240
62 HB2 LYS 8 HB2 LYS 8 -0.804 -4.683 3.927
63 HB3 LYS 8 HB3 LYS 8 0.585 -3.582 3.800
64 HG2 LYS 8 HG2 LYS 8 -0.704 -2.013 2.442
65 HG3 LYS 8 HG3 LYS 8 -2.105 -3.102 2.470
66 HD2 LYS 8 HD2 LYS 8 -2.566 -1.388 4.034
67 HD3 LYS 8 HD3 LYS 8 -2.130 -2.805 5.010
68 HE2 LYS 8 HE2 LYS 8 0.202 -1.899 5.226
69 HE3 LYS 8 HE3 LYS 8 -0.264 -0.503 4.244
70 HZ1 LYS 8 HZ1 LYS 8 -1.865 0.098 5.975
71 HZ2 LYS 8 HZ2 LYS 8 -1.447 -1.199 6.881
72 HZ3 LYS 8 HZ3 LYS 8 -0.369 -0.002 6.619
73 H ARG 9 H ARG 9 2.322 -3.558 1.519
74 HA ARG 9 HA ARG 9 3.995 -5.963 2.106
75 HB2 ARG 9 HB2 ARG 9 3.119 -5.430 -0.466
76 HB3 ARG 9 HB3 ARG 9 4.529 -4.403 -0.404
77 HG2 ARG 9 HG2 ARG 9 5.339 -6.366 -1.327
78 HG3 ARG 9 HG3 ARG 9 5.804 -6.562 0.376
79 HD2 ARG 9 HD2 ARG 9 3.563 -7.897 -1.192
80 HD3 ARG 9 HD3 ARG 9 4.981 -8.653 -0.456
81 HE ARG 9 HE ARG 9 2.720 -7.417 1.109
82 HH11 ARG 9 HH11 ARG 9 4.850 -10.198 0.749
83 HH12 ARG 9 HH12 ARG 9 4.160 -10.968 2.155
84 HH21 ARG 9 HH21 ARG 9 1.948 -8.406 2.806
85 HH22 ARG 9 HH22 ARG 9 2.531 -9.983 3.290
86 H MET 10 H MET 10 6.355 -5.412 2.172
87 HA MET 10 HA MET 10 6.951 -2.589 2.750
88 HB2 MET 10 HB2 MET 10 5.790 -3.505 4.798
89 HB3 MET 10 HB3 MET 10 7.117 -4.674 4.958
90 HG2 MET 10 HG2 MET 10 8.711 -2.729 5.152
91 HG3 MET 10 HG3 MET 10 7.315 -1.640 5.045
92 HE1 MET 10 HE1 MET 10 9.474 -3.998 7.191
93 HE2 MET 10 HE2 MET 10 8.488 -4.300 8.638
94 HE3 MET 10 HE3 MET 10 8.032 -5.034 7.088
95 H PHE 11 H PHE 11 9.014 -2.057 2.560
96 HA PHE 11 HA PHE 11 11.005 -3.952 1.655
97 HB2 PHE 11 HB2 PHE 11 11.050 -0.987 2.202
98 HB3 PHE 11 HB3 PHE 11 12.493 -1.887 1.729
99 HD1 PHE 11 HD1 PHE 11 12.506 -3.208 -0.458
100 HD2 PHE 11 HD2 PHE 11 9.505 -0.263 0.509
101 HE1 PHE 11 HE1 PHE 11 11.925 -3.002 -2.866
102 HE2 PHE 11 HE2 PHE 11 8.936 -0.054 -1.898
103 HZ PHE 11 HZ PHE 11 10.142 -1.424 -3.588
104 H ALA 12 H ALA 12 13.176 -4.214 2.507
105 HA ALA 12 HA ALA 12 13.225 -5.113 5.196
106 HB1 ALA 12 HB1 ALA 12 15.640 -5.401 4.773
107 HB2 ALA 12 HB2 ALA 12 14.681 -5.949 3.386
108 HB3 ALA 12 HB3 ALA 12 15.522 -4.380 3.324
109 H ASN 13 H ASN 13 13.806 -1.896 3.951
110 HA ASN 13 HA ASN 13 15.064 -0.902 6.416
111 HB2 ASN 13 HB2 ASN 13 15.154 1.236 5.248
112 HB3 ASN 13 HB3 ASN 13 15.803 -0.075 4.253
113 HD21 ASN 13 HD21 ASN 13 15.546 1.319 2.461
114 H GLY 14 H GLY 14 11.899 -1.711 5.800
115 HA2 GLY 14 HA2 GLY 14 10.113 -1.392 7.251
116 HA3 GLY 14 HA3 GLY 14 10.906 0.013 7.981
117 H THR 15 H THR 15 10.644 0.034 4.478
118 HA THR 15 HA THR 15 8.645 2.224 4.599
119 HB THR 15 HB THR 15 10.337 1.132 2.318
120 HG1 THR 15 HG1 THR 15 11.655 2.092 3.627
121 HG21 THR 15 HG21 THR 15 8.596 3.616 2.463
122 HG22 THR 15 HG22 THR 15 9.790 3.263 1.187
123 HG23 THR 15 HG23 THR 15 8.383 2.211 1.384
124 H VAL 16 H VAL 16 6.536 1.911 4.129
125 HA VAL 16 HA VAL 16 5.628 -0.768 3.272
126 HB VAL 16 HB VAL 16 4.211 1.638 4.472
127 HG11 VAL 16 HG11 VAL 16 3.046 -1.093 3.799
128 HG12 VAL 16 HG12 VAL 16 2.261 0.143 4.807
129 HG13 VAL 16 HG13 VAL 16 2.561 0.473 3.102
130 HG21 VAL 16 HG21 VAL 16 5.677 0.393 6.044
131 HG22 VAL 16 HG22 VAL 16 3.969 0.180 6.446
132 HG23 VAL 16 HG23 VAL 16 4.845 -1.118 5.613
133 H TYR 17 H TYR 17 4.355 -1.183 1.552
134 HA TYR 17 HA TYR 17 3.385 0.868 -0.306
135 HB2 TYR 17 HB2 TYR 17 4.621 0.076 -2.212
136 HB3 TYR 17 HB3 TYR 17 5.769 0.543 -0.968
137 HD1 TYR 17 HD1 TYR 17 6.998 -1.255 0.343
138 HD2 TYR 17 HD2 TYR 17 4.602 -2.121 -3.140
139 HE1 TYR 17 HE1 TYR 17 8.243 -3.383 0.006
140 HE2 TYR 17 HE2 TYR 17 5.825 -4.269 -3.446
141 HH TYR 17 HH TYR 17 8.549 -5.200 -1.326
142 H TYR 18 H TYR 18 2.608 -0.645 -2.373
143 HA TYR 18 HA TYR 18 0.889 -2.775 -1.206
144 HB2 TYR 18 HB2 TYR 18 0.177 -0.620 -3.209
145 HB3 TYR 18 HB3 TYR 18 -0.848 -2.000 -2.788
146 HD1 TYR 18 HD1 TYR 18 0.645 1.142 -1.533
147 HD2 TYR 18 HD2 TYR 18 -1.986 -2.158 -0.640
148 HE1 TYR 18 HE1 TYR 18 -0.104 2.315 0.514
149 HE2 TYR 18 HE2 TYR 18 -2.813 -0.945 1.364
150 HH TYR 18 HH TYR 18 -1.472 2.223 2.356
151 H PHE 19 H PHE 19 0.477 -4.600 -2.269
152 HA PHE 19 HA PHE 19 1.815 -5.073 -4.876
153 HB2 PHE 19 HB2 PHE 19 3.380 -5.811 -3.303
154 HB3 PHE 19 HB3 PHE 19 2.129 -6.574 -2.311
155 HD1 PHE 19 HD1 PHE 19 1.342 -8.850 -2.736
156 HD2 PHE 19 HD2 PHE 19 4.095 -6.883 -5.419
157 HE1 PHE 19 HE1 PHE 19 1.865 -11.019 -3.803
158 HE2 PHE 19 HE2 PHE 19 4.537 -9.048 -6.550
159 HZ PHE 19 HZ PHE 19 3.433 -11.127 -5.732
160 H ASN 20 H ASN 20 0.781 -6.211 -6.383
161 HA ASN 20 HA ASN 20 -1.927 -7.237 -5.709
162 HB2 ASN 20 HB2 ASN 20 -1.616 -5.618 -7.576
163 HB3 ASN 20 HB3 ASN 20 -0.621 -6.822 -8.420
164 HD21 ASN 20 HD21 ASN 20 -3.414 -5.539 -8.894
165 HD22 ASN 20 HD22 ASN 20 -4.403 -6.959 -9.246
166 H HIS 21 H HIS 21 -1.931 -9.314 -5.026
167 HA HIS 21 HA HIS 21 0.322 -11.074 -5.553
168 HB2 HIS 21 HB2 HIS 21 -0.457 -12.326 -3.861
169 HB3 HIS 21 HB3 HIS 21 -1.365 -10.870 -3.474
170 HD2 HIS 21 HD2 HIS 21 -4.033 -10.874 -4.162
171 HE1 HIS 21 HE1 HIS 21 -4.403 -15.061 -4.788
172 HE2 HIS 21 HE2 HIS 21 -5.687 -12.899 -4.454
173 H ILE 22 H ILE 22 -2.648 -10.535 -7.238
174 HA ILE 22 HA ILE 22 -2.767 -13.150 -8.504
175 HB ILE 22 HB ILE 22 -4.258 -10.558 -9.101
176 HG12 ILE 22 HG12 ILE 22 -4.904 -12.999 -7.378
177 HG13 ILE 22 HG13 ILE 22 -4.688 -11.323 -6.835
178 HG21 ILE 22 HG21 ILE 22 -4.836 -13.411 -10.007
179 HG22 ILE 22 HG22 ILE 22 -5.854 -11.986 -10.321
180 HG23 ILE 22 HG23 ILE 22 -4.263 -12.085 -11.045
181 HD11 ILE 22 HD11 ILE 22 -6.994 -11.847 -6.728
182 HD12 ILE 22 HD12 ILE 22 -6.765 -10.688 -8.059
183 HD13 ILE 22 HD13 ILE 22 -7.035 -12.422 -8.399
184 H THR 23 H THR 23 -1.687 -9.889 -9.371
185 HA THR 23 HA THR 23 -0.743 -10.798 -12.038
186 HB THR 23 HB THR 23 -1.028 -8.622 -12.838
187 HG1 THR 23 HG1 THR 23 -1.919 -7.157 -11.008
188 HG21 THR 23 HG21 THR 23 -3.328 -8.048 -12.424
189 HG22 THR 23 HG22 THR 23 -3.203 -9.816 -12.434
190 HG23 THR 23 HG23 THR 23 -3.354 -8.945 -10.891
191 H ASN 24 H ASN 24 0.643 -10.052 -9.090
192 HA ASN 24 HA ASN 24 2.648 -9.580 -8.307
193 HB2 ASN 24 HB2 ASN 24 3.752 -10.357 -11.026
194 HB3 ASN 24 HB3 ASN 24 4.690 -10.149 -9.541
195 HD21 ASN 24 HD21 ASN 24 3.102 -13.724 -10.184
196 HD22 ASN 24 HD22 ASN 24 3.258 -12.484 -11.433
197 H ALA 25 H ALA 25 1.080 -7.454 -10.028
198 HA ALA 25 HA ALA 25 3.065 -5.406 -10.529
199 HB1 ALA 25 HB1 ALA 25 0.804 -5.414 -11.547
200 HB2 ALA 25 HB2 ALA 25 0.085 -5.155 -9.940
201 HB3 ALA 25 HB3 ALA 25 1.127 -3.913 -10.657
202 H SER 26 H SER 26 3.284 -3.378 -9.277
203 HA SER 26 HA SER 26 2.445 -3.359 -6.493
204 HB2 SER 26 HB2 SER 26 4.683 -3.106 -5.514
205 HB3 SER 26 HB3 SER 26 4.436 -4.708 -6.215
206 HG SER 26 HG SER 26 5.652 -4.094 -7.994
207 H GLN 27 H GLN 27 2.647 -1.378 -5.428
208 HA GLN 27 HA GLN 27 3.704 0.976 -6.816
209 HB2 GLN 27 HB2 GLN 27 1.619 2.127 -7.088
210 HB3 GLN 27 HB3 GLN 27 1.490 0.570 -7.909
211 HG2 GLN 27 HG2 GLN 27 0.176 -0.324 -5.972
212 HG3 GLN 27 HG3 GLN 27 0.297 1.250 -5.189
213 HE21 GLN 27 HE21 GLN 27 -2.665 2.237 -6.652
214 HE22 GLN 27 HE22 GLN 27 -1.625 2.168 -5.221
215 H PHE 28 H PHE 28 3.823 2.849 -5.449
216 HA PHE 28 HA PHE 28 3.771 2.236 -2.590
217 HB2 PHE 28 HB2 PHE 28 5.704 3.292 -3.161
218 HB3 PHE 28 HB3 PHE 28 4.892 4.469 -4.203
219 HD1 PHE 28 HD1 PHE 28 5.730 3.634 -0.690
220 HD2 PHE 28 HD2 PHE 28 3.846 6.484 -3.328
221 HE1 PHE 28 HE1 PHE 28 5.665 5.300 1.150
222 HE2 PHE 28 HE2 PHE 28 3.767 8.141 -1.484
223 HZ PHE 28 HZ PHE 28 4.684 7.556 0.759
224 H GLU 29 H GLU 29 1.832 4.382 -4.608
225 HA GLU 29 HA GLU 29 0.413 5.536 -2.380
226 HB2 GLU 29 HB2 GLU 29 0.593 6.800 -4.372
227 HB3 GLU 29 HB3 GLU 29 0.008 5.476 -5.368
228 HG2 GLU 29 HG2 GLU 29 -1.633 7.195 -5.287
229 HG3 GLU 29 HG3 GLU 29 -2.261 5.746 -4.526
230 H ARG 30 H ARG 30 -1.619 5.141 -1.565
231 HA ARG 30 HA ARG 30 -2.323 2.393 -1.344
232 HB2 ARG 30 HB2 ARG 30 -2.546 3.919 0.471
233 HB3 ARG 30 HB3 ARG 30 -3.717 4.913 -0.386
234 HG2 ARG 30 HG2 ARG 30 -4.311 1.982 0.127
235 HG3 ARG 30 HG3 ARG 30 -4.457 3.147 1.451
236 HD2 ARG 30 HD2 ARG 30 -6.359 4.052 0.683
237 HD3 ARG 30 HD3 ARG 30 -5.801 4.118 -0.975
238 HE ARG 30 HE ARG 30 -6.452 1.825 -1.337
239 HH11 ARG 30 HH11 ARG 30 -7.852 3.120 1.631
240 HH12 ARG 30 HH12 ARG 30 -9.237 2.066 1.483
241 HH21 ARG 30 HH21 ARG 30 -8.177 0.663 -1.464
242 HH22 ARG 30 HH22 ARG 30 -9.352 0.571 -0.152
243 HA PRO 31 HA PRO 31 -4.779 2.129 -5.080
244 HB2 PRO 31 HB2 PRO 31 -5.591 -0.483 -4.929
245 HB3 PRO 31 HB3 PRO 31 -3.914 0.013 -5.305
246 HG2 PRO 31 HG2 PRO 31 -5.024 -0.838 -2.620
247 HG3 PRO 31 HG3 PRO 31 -3.525 -1.398 -3.431
248 HD2 PRO 31 HD2 PRO 31 -3.510 0.548 -1.538
249 HD3 PRO 31 HD3 PRO 31 -2.410 0.615 -2.951
250 H SER 32 H SER 32 -6.565 3.368 -4.968
251 HA SER 32 HA SER 32 -8.480 3.085 -2.773
252 HB2 SER 32 HB2 SER 32 -8.237 5.089 -5.037
253 HB3 SER 32 HB3 SER 32 -9.443 5.173 -3.739
254 HG SER 32 HG SER 32 -6.619 5.101 -3.355
255 H GLY 33 H GLY 33 -8.409 1.592 -5.769
256 HA2 GLY 33 HA2 GLY 33 -10.968 0.377 -5.552
257 HA3 GLY 33 HA3 GLY 33 -11.087 1.700 -6.715
258 H1B XYP 101 H1 XYP 34 12.848 2.212 1.733
259 H2B XYP 101 H2 XYP 34 15.552 2.587 0.324
260 H3B XYP 101 H3 XYP 34 12.867 3.942 -0.234
261 H4B XYP 101 H4 XYP 34 14.377 1.894 -1.930
262 H5B1 XYP 101 H5E XYP 34 12.581 0.310 -1.413
263 H5B2 XYP 101 H5A XYP 34 11.753 1.511 -0.402
264 HO2B XYP 101 H2O XYP 34 15.160 4.794 1.048
265 HO3B XYP 101 H3O XYP 34 14.143 4.613 -2.148
266 HO4B XYP 101 H4O XYP 34 11.760 3.073 -2.241
Start of MODEL 15
1 H1 LYS 1 H1 LYS 1 -11.656 -3.317 2.759
2 H2 LYS 1 H2 LYS 1 -12.505 -2.109 2.047
3 H3 LYS 1 H3 LYS 1 -12.494 -2.251 3.673
4 HA LYS 1 HA LYS 1 -11.106 -0.432 3.003
5 HB2 LYS 1 HB2 LYS 1 -10.513 -1.641 5.063
6 HB3 LYS 1 HB3 LYS 1 -9.521 -2.766 4.139
7 HG2 LYS 1 HG2 LYS 1 -8.117 -0.723 3.397
8 HG3 LYS 1 HG3 LYS 1 -9.080 0.226 4.531
9 HD2 LYS 1 HD2 LYS 1 -7.064 -0.327 5.653
10 HD3 LYS 1 HD3 LYS 1 -8.303 -1.377 6.361
11 HE2 LYS 1 HE2 LYS 1 -7.541 -3.230 4.836
12 HE3 LYS 1 HE3 LYS 1 -6.300 -2.155 4.174
13 HZ1 LYS 1 HZ1 LYS 1 -5.408 -3.582 5.926
14 HZ2 LYS 1 HZ2 LYS 1 -5.340 -2.023 6.418
15 HZ3 LYS 1 HZ3 LYS 1 -6.487 -3.021 7.013
16 H LEU 2 H LEU 2 -9.175 -3.323 2.078
17 HA LEU 2 HA LEU 2 -7.873 -1.753 -0.004
18 HB2 LEU 2 HB2 LEU 2 -6.739 -3.120 1.781
19 HB3 LEU 2 HB3 LEU 2 -7.346 -4.576 0.974
20 HG LEU 2 HG LEU 2 -5.991 -3.900 -1.049
21 HD11 LEU 2 HD11 LEU 2 -4.178 -2.234 -0.690
22 HD12 LEU 2 HD12 LEU 2 -5.753 -1.457 -0.582
23 HD13 LEU 2 HD13 LEU 2 -4.863 -1.832 0.907
24 HD21 LEU 2 HD21 LEU 2 -3.824 -4.518 -0.028
25 HD22 LEU 2 HD22 LEU 2 -4.487 -4.189 1.588
26 HD23 LEU 2 HD23 LEU 2 -5.147 -5.515 0.608
27 HA PRO 3 HA PRO 3 -10.337 -3.516 -3.226
28 HB2 PRO 3 HB2 PRO 3 -8.136 -3.314 -5.204
29 HB3 PRO 3 HB3 PRO 3 -9.707 -2.467 -5.164
30 HG2 PRO 3 HG2 PRO 3 -7.331 -1.206 -4.597
31 HG3 PRO 3 HG3 PRO 3 -8.876 -0.769 -3.794
32 HD2 PRO 3 HD2 PRO 3 -6.647 -2.525 -2.734
33 HD3 PRO 3 HD3 PRO 3 -7.574 -1.227 -1.936
34 HA PRO 4 HA PRO 4 -9.607 -7.835 -3.912
35 HB2 PRO 4 HB2 PRO 4 -10.215 -7.410 -6.842
36 HB3 PRO 4 HB3 PRO 4 -10.861 -8.654 -5.722
37 HG2 PRO 4 HG2 PRO 4 -12.358 -6.487 -6.337
38 HG3 PRO 4 HG3 PRO 4 -12.260 -7.040 -4.630
39 HD2 PRO 4 HD2 PRO 4 -10.727 -4.792 -5.969
40 HD3 PRO 4 HD3 PRO 4 -11.577 -4.805 -4.391
41 H GLY 5 H GLY 5 -7.938 -9.211 -4.351
42 HA2 GLY 5 HA2 GLY 5 -5.983 -10.071 -5.170
43 HA3 GLY 5 HA3 GLY 5 -6.022 -8.876 -6.482
44 H TRP 6 H TRP 6 -6.059 -6.696 -4.193
45 HA TRP 6 HA TRP 6 -3.157 -6.419 -4.052
46 HB2 TRP 6 HB2 TRP 6 -5.421 -4.682 -3.101
47 HB3 TRP 6 HB3 TRP 6 -3.734 -4.315 -2.787
48 HD1 TRP 6 HD1 TRP 6 -6.292 -4.361 -5.559
49 HE1 TRP 6 HE1 TRP 6 -5.426 -3.069 -7.605
50 HE3 TRP 6 HE3 TRP 6 -1.408 -3.943 -4.168
51 HZ2 TRP 6 HZ2 TRP 6 -2.840 -2.228 -8.622
52 HZ3 TRP 6 HZ3 TRP 6 0.267 -2.967 -5.730
53 HH2 TRP 6 HH2 TRP 6 -0.434 -2.114 -7.953
54 H GLU 7 H GLU 7 -1.838 -6.278 -2.304
55 HA GLU 7 HA GLU 7 -2.794 -6.934 0.411
56 HB2 GLU 7 HB2 GLU 7 -2.258 -9.095 -0.539
57 HB3 GLU 7 HB3 GLU 7 -0.794 -8.477 -1.271
58 HG2 GLU 7 HG2 GLU 7 -0.267 -9.931 0.554
59 HG3 GLU 7 HG3 GLU 7 0.330 -8.311 0.848
60 H LYS 8 H LYS 8 -1.558 -5.996 2.041
61 HA LYS 8 HA LYS 8 0.275 -3.851 1.263
62 HB2 LYS 8 HB2 LYS 8 -0.798 -4.809 3.918
63 HB3 LYS 8 HB3 LYS 8 0.598 -3.718 3.843
64 HG2 LYS 8 HG2 LYS 8 -0.652 -2.147 2.424
65 HG3 LYS 8 HG3 LYS 8 -2.070 -3.211 2.481
66 HD2 LYS 8 HD2 LYS 8 -2.473 -1.453 4.024
67 HD3 LYS 8 HD3 LYS 8 -2.068 -2.868 5.016
68 HE2 LYS 8 HE2 LYS 8 0.282 -2.028 5.214
69 HE3 LYS 8 HE3 LYS 8 -0.136 -0.641 4.200
70 HZ1 LYS 8 HZ1 LYS 8 -1.712 0.059 5.916
71 HZ2 LYS 8 HZ2 LYS 8 -1.332 -1.227 6.855
72 HZ3 LYS 8 HZ3 LYS 8 -0.217 -0.075 6.557
73 H ARG 9 H ARG 9 2.362 -3.637 1.574
74 HA ARG 9 HA ARG 9 4.120 -5.981 2.209
75 HB2 ARG 9 HB2 ARG 9 3.537 -4.744 -0.423
76 HB3 ARG 9 HB3 ARG 9 5.226 -4.621 -0.012
77 HG2 ARG 9 HG2 ARG 9 4.765 -6.589 -1.359
78 HG3 ARG 9 HG3 ARG 9 5.443 -7.031 0.222
79 HD2 ARG 9 HD2 ARG 9 3.325 -7.768 1.031
80 HD3 ARG 9 HD3 ARG 9 2.450 -7.056 -0.344
81 HE ARG 9 HE ARG 9 3.887 -8.745 -1.732
82 HH11 ARG 9 HH11 ARG 9 2.497 -9.512 1.399
83 HH12 ARG 9 HH12 ARG 9 2.441 -11.219 1.042
84 HH21 ARG 9 HH21 ARG 9 3.764 -10.908 -2.114
85 HH22 ARG 9 HH22 ARG 9 3.132 -11.979 -0.894
86 H MET 10 H MET 10 6.423 -5.358 2.433
87 HA MET 10 HA MET 10 6.979 -2.533 2.957
88 HB2 MET 10 HB2 MET 10 5.812 -3.389 5.042
89 HB3 MET 10 HB3 MET 10 7.171 -4.511 5.260
90 HG2 MET 10 HG2 MET 10 8.706 -2.503 5.346
91 HG3 MET 10 HG3 MET 10 7.273 -1.471 5.200
92 HE1 MET 10 HE1 MET 10 8.559 -3.919 8.903
93 HE2 MET 10 HE2 MET 10 8.116 -4.739 7.393
94 HE3 MET 10 HE3 MET 10 9.526 -3.654 7.436
95 H PHE 11 H PHE 11 9.046 -2.012 2.754
96 HA PHE 11 HA PHE 11 11.071 -3.930 1.980
97 HB2 PHE 11 HB2 PHE 11 11.062 -0.949 2.398
98 HB3 PHE 11 HB3 PHE 11 12.543 -1.840 2.040
99 HD1 PHE 11 HD1 PHE 11 12.733 -3.192 -0.099
100 HD2 PHE 11 HD2 PHE 11 9.565 -0.353 0.615
101 HE1 PHE 11 HE1 PHE 11 12.287 -3.068 -2.541
102 HE2 PHE 11 HE2 PHE 11 9.129 -0.225 -1.827
103 HZ PHE 11 HZ PHE 11 10.488 -1.583 -3.407
104 H ALA 12 H ALA 12 13.191 -4.197 2.919
105 HA ALA 12 HA ALA 12 13.170 -4.878 5.679
106 HB1 ALA 12 HB1 ALA 12 15.585 -5.247 5.328
107 HB2 ALA 12 HB2 ALA 12 14.640 -5.895 3.974
108 HB3 ALA 12 HB3 ALA 12 15.513 -4.353 3.795
109 H ASN 13 H ASN 13 13.794 -1.790 4.181
110 HA ASN 13 HA ASN 13 15.100 -0.590 6.514
111 HB2 ASN 13 HB2 ASN 13 15.136 1.433 5.173
112 HB3 ASN 13 HB3 ASN 13 15.695 0.054 4.214
113 HD21 ASN 13 HD21 ASN 13 15.270 1.575 2.433
114 H GLY 14 H GLY 14 11.888 -1.430 6.000
115 HA2 GLY 14 HA2 GLY 14 10.121 -1.010 7.464
116 HA3 GLY 14 HA3 GLY 14 10.924 0.445 8.078
117 H THR 15 H THR 15 10.669 0.242 4.589
118 HA THR 15 HA THR 15 8.639 2.411 4.551
119 HB THR 15 HB THR 15 10.370 1.175 2.383
120 HG1 THR 15 HG1 THR 15 11.556 2.259 3.806
121 HG21 THR 15 HG21 THR 15 8.402 2.166 1.344
122 HG22 THR 15 HG22 THR 15 8.667 3.681 2.250
123 HG23 THR 15 HG23 THR 15 9.844 3.126 1.026
124 H VAL 16 H VAL 16 6.541 2.045 4.044
125 HA VAL 16 HA VAL 16 5.674 -0.701 3.359
126 HB VAL 16 HB VAL 16 4.223 1.777 4.356
127 HG11 VAL 16 HG11 VAL 16 2.609 0.522 3.013
128 HG12 VAL 16 HG12 VAL 16 3.060 -0.990 3.839
129 HG13 VAL 16 HG13 VAL 16 2.256 0.323 4.727
130 HG21 VAL 16 HG21 VAL 16 5.646 0.632 6.040
131 HG22 VAL 16 HG22 VAL 16 3.928 0.451 6.414
132 HG23 VAL 16 HG23 VAL 16 4.820 -0.902 5.688
133 H TYR 17 H TYR 17 4.457 -1.243 1.619
134 HA TYR 17 HA TYR 17 3.522 0.702 -0.363
135 HB2 TYR 17 HB2 TYR 17 4.790 -0.140 -2.212
136 HB3 TYR 17 HB3 TYR 17 5.920 0.367 -0.970
137 HD1 TYR 17 HD1 TYR 17 7.141 -1.385 0.408
138 HD2 TYR 17 HD2 TYR 17 4.813 -2.363 -3.098
139 HE1 TYR 17 HE1 TYR 17 8.418 -3.506 0.139
140 HE2 TYR 17 HE2 TYR 17 6.060 -4.500 -3.332
141 HH TYR 17 HH TYR 17 8.741 -5.370 -1.128
142 H TYR 18 H TYR 18 2.808 -0.907 -2.365
143 HA TYR 18 HA TYR 18 1.076 -3.022 -1.172
144 HB2 TYR 18 HB2 TYR 18 0.370 -0.884 -3.211
145 HB3 TYR 18 HB3 TYR 18 -0.671 -2.224 -2.719
146 HD1 TYR 18 HD1 TYR 18 0.819 0.988 -1.649
147 HD2 TYR 18 HD2 TYR 18 -1.760 -2.293 -0.553
148 HE1 TYR 18 HE1 TYR 18 -0.014 2.301 0.291
149 HE2 TYR 18 HE2 TYR 18 -2.644 -0.954 1.342
150 HH TYR 18 HH TYR 18 -1.354 2.283 2.151
151 H PHE 19 H PHE 19 0.590 -4.807 -2.343
152 HA PHE 19 HA PHE 19 1.792 -5.162 -5.031
153 HB2 PHE 19 HB2 PHE 19 3.470 -5.985 -3.603
154 HB3 PHE 19 HB3 PHE 19 2.277 -6.801 -2.581
155 HD1 PHE 19 HD1 PHE 19 4.054 -6.950 -5.819
156 HD2 PHE 19 HD2 PHE 19 1.421 -9.026 -3.095
157 HE1 PHE 19 HE1 PHE 19 4.428 -9.066 -7.064
158 HE2 PHE 19 HE2 PHE 19 1.853 -11.144 -4.303
159 HZ PHE 19 HZ PHE 19 3.335 -11.170 -6.301
160 H ASN 20 H ASN 20 0.635 -6.290 -6.507
161 HA ASN 20 HA ASN 20 -1.971 -7.399 -5.575
162 HB2 ASN 20 HB2 ASN 20 -1.929 -5.629 -7.361
163 HB3 ASN 20 HB3 ASN 20 -1.117 -6.802 -8.418
164 HD21 ASN 20 HD21 ASN 20 -5.093 -6.970 -8.100
165 HD22 ASN 20 HD22 ASN 20 -4.134 -5.588 -7.575
166 H HIS 21 H HIS 21 -1.979 -9.520 -5.145
167 HA HIS 21 HA HIS 21 0.222 -11.193 -6.090
168 HB2 HIS 21 HB2 HIS 21 -0.210 -12.524 -4.358
169 HB3 HIS 21 HB3 HIS 21 -1.062 -11.113 -3.744
170 HD2 HIS 21 HD2 HIS 21 -3.867 -11.176 -4.212
171 HE1 HIS 21 HE1 HIS 21 -4.066 -15.433 -4.293
172 HE2 HIS 21 HE2 HIS 21 -5.430 -13.295 -4.069
173 H ILE 22 H ILE 22 -2.842 -10.511 -7.430
174 HA ILE 22 HA ILE 22 -3.176 -13.056 -8.836
175 HB ILE 22 HB ILE 22 -4.446 -10.352 -9.409
176 HG12 ILE 22 HG12 ILE 22 -4.924 -10.891 -7.078
177 HG13 ILE 22 HG13 ILE 22 -6.368 -10.950 -8.090
178 HG21 ILE 22 HG21 ILE 22 -6.273 -11.728 -10.391
179 HG22 ILE 22 HG22 ILE 22 -4.734 -11.851 -11.248
180 HG23 ILE 22 HG23 ILE 22 -5.251 -13.170 -10.177
181 HD11 ILE 22 HD11 ILE 22 -4.821 -13.385 -7.102
182 HD12 ILE 22 HD12 ILE 22 -6.333 -12.748 -6.421
183 HD13 ILE 22 HD13 ILE 22 -6.321 -13.415 -8.061
184 H THR 23 H THR 23 -1.956 -9.788 -9.507
185 HA THR 23 HA THR 23 -1.178 -10.545 -12.270
186 HB THR 23 HB THR 23 -1.480 -8.324 -12.928
187 HG1 THR 23 HG1 THR 23 -2.167 -6.837 -11.164
188 HG21 THR 23 HG21 THR 23 -3.645 -9.554 -12.438
189 HG22 THR 23 HG22 THR 23 -3.710 -8.685 -10.886
190 HG23 THR 23 HG23 THR 23 -3.750 -7.785 -12.414
191 H ASN 24 H ASN 24 0.368 -9.961 -9.362
192 HA ASN 24 HA ASN 24 2.410 -9.538 -8.657
193 HB2 ASN 24 HB2 ASN 24 3.391 -10.134 -11.466
194 HB3 ASN 24 HB3 ASN 24 4.389 -10.033 -10.009
195 HD21 ASN 24 HD21 ASN 24 2.970 -12.241 -12.013
196 HD22 ASN 24 HD22 ASN 24 2.819 -13.560 -10.848
197 H ALA 25 H ALA 25 0.742 -7.327 -10.096
198 HA ALA 25 HA ALA 25 2.667 -5.241 -10.664
199 HB1 ALA 25 HB1 ALA 25 0.711 -3.764 -10.554
200 HB2 ALA 25 HB2 ALA 25 0.335 -5.219 -11.494
201 HB3 ALA 25 HB3 ALA 25 -0.257 -5.058 -9.823
202 H SER 26 H SER 26 2.935 -3.256 -9.352
203 HA SER 26 HA SER 26 2.375 -3.409 -6.497
204 HB2 SER 26 HB2 SER 26 4.692 -2.982 -5.765
205 HB3 SER 26 HB3 SER 26 4.459 -4.593 -6.442
206 HG SER 26 HG SER 26 5.425 -3.906 -8.348
207 H GLN 27 H GLN 27 2.559 -1.493 -5.355
208 HA GLN 27 HA GLN 27 3.104 1.040 -6.804
209 HB2 GLN 27 HB2 GLN 27 0.401 0.186 -5.696
210 HB3 GLN 27 HB3 GLN 27 0.890 1.882 -5.737
211 HG2 GLN 27 HG2 GLN 27 1.156 1.856 -8.122
212 HG3 GLN 27 HG3 GLN 27 0.736 0.131 -8.198
213 HE21 GLN 27 HE21 GLN 27 -1.079 2.267 -5.939
214 HE22 GLN 27 HE22 GLN 27 -2.499 2.349 -6.985
215 H PHE 28 H PHE 28 3.799 2.675 -5.511
216 HA PHE 28 HA PHE 28 4.014 2.209 -2.609
217 HB2 PHE 28 HB2 PHE 28 5.973 3.095 -3.398
218 HB3 PHE 28 HB3 PHE 28 5.158 4.239 -4.473
219 HD1 PHE 28 HD1 PHE 28 4.270 6.365 -3.690
220 HD2 PHE 28 HD2 PHE 28 6.223 3.635 -0.977
221 HE1 PHE 28 HE1 PHE 28 4.411 8.162 -1.988
222 HE2 PHE 28 HE2 PHE 28 6.386 5.444 0.719
223 HZ PHE 28 HZ PHE 28 5.480 7.709 0.220
224 H GLU 29 H GLU 29 2.044 4.140 -4.751
225 HA GLU 29 HA GLU 29 0.637 5.472 -2.558
226 HB2 GLU 29 HB2 GLU 29 0.964 6.757 -4.520
227 HB3 GLU 29 HB3 GLU 29 0.409 5.457 -5.566
228 HG2 GLU 29 HG2 GLU 29 -1.209 7.186 -5.551
229 HG3 GLU 29 HG3 GLU 29 -1.900 5.749 -4.820
230 H ARG 30 H ARG 30 -1.300 5.015 -1.767
231 HA ARG 30 HA ARG 30 -2.087 2.348 -1.515
232 HB2 ARG 30 HB2 ARG 30 -2.394 3.820 0.252
233 HB3 ARG 30 HB3 ARG 30 -3.243 5.002 -0.725
234 HG2 ARG 30 HG2 ARG 30 -4.626 3.893 0.962
235 HG3 ARG 30 HG3 ARG 30 -5.262 3.807 -0.689
236 HD2 ARG 30 HD2 ARG 30 -3.784 1.408 -0.267
237 HD3 ARG 30 HD3 ARG 30 -4.637 1.685 1.233
238 HE ARG 30 HE ARG 30 -5.836 1.310 -1.487
239 HH11 ARG 30 HH11 ARG 30 -6.529 1.568 1.960
240 HH12 ARG 30 HH12 ARG 30 -8.217 1.206 1.682
241 HH21 ARG 30 HH21 ARG 30 -7.910 0.971 -1.716
242 HH22 ARG 30 HH22 ARG 30 -8.944 0.689 -0.310
243 HA PRO 31 HA PRO 31 -4.244 1.931 -5.392
244 HB2 PRO 31 HB2 PRO 31 -4.983 -0.726 -5.234
245 HB3 PRO 31 HB3 PRO 31 -3.316 -0.160 -5.561
246 HG2 PRO 31 HG2 PRO 31 -4.496 -0.947 -2.863
247 HG3 PRO 31 HG3 PRO 31 -2.973 -1.521 -3.619
248 HD2 PRO 31 HD2 PRO 31 -2.933 0.451 -1.846
249 HD3 PRO 31 HD3 PRO 31 -1.934 0.591 -3.324
250 H SER 32 H SER 32 -6.266 1.958 -6.253
251 HA SER 32 HA SER 32 -8.632 1.643 -4.433
252 HB2 SER 32 HB2 SER 32 -8.198 3.605 -6.707
253 HB3 SER 32 HB3 SER 32 -9.736 3.355 -5.863
254 HG SER 32 HG SER 32 -7.288 4.151 -4.659
255 H GLY 33 H GLY 33 -7.161 0.157 -7.041
256 HA2 GLY 33 HA2 GLY 33 -9.023 -1.811 -7.529
257 HA3 GLY 33 HA3 GLY 33 -9.488 -0.541 -8.662
258 H1B XYP 101 H1 XYP 34 12.373 1.769 1.721
259 H2B XYP 101 H2 XYP 34 14.715 3.551 0.875
260 H3B XYP 101 H3 XYP 34 11.769 3.819 0.121
261 H4B XYP 101 H4 XYP 34 14.065 2.883 -1.668
262 H5B1 XYP 101 H5E XYP 34 12.928 0.670 -1.661
263 H5B2 XYP 101 H5A XYP 34 11.727 1.280 -0.511
264 HO2B XYP 101 H2O XYP 34 12.415 3.902 2.550
265 HO3B XYP 101 H3O XYP 34 13.134 5.742 0.162
266 HO4B XYP 101 H4O XYP 34 12.250 4.107 -2.556
Start of MODEL 16
1 H1 LYS 1 H1 LYS 1 -12.720 -2.104 3.721
2 H2 LYS 1 H2 LYS 1 -12.059 -3.176 2.677
3 H3 LYS 1 H3 LYS 1 -12.720 -1.783 2.120
4 HA LYS 1 HA LYS 1 -11.076 -0.452 3.213
5 HB2 LYS 1 HB2 LYS 1 -10.643 -1.862 5.133
6 HB3 LYS 1 HB3 LYS 1 -9.936 -3.120 4.117
7 HG2 LYS 1 HG2 LYS 1 -8.091 -1.536 3.477
8 HG3 LYS 1 HG3 LYS 1 -8.804 -0.313 4.543
9 HD2 LYS 1 HD2 LYS 1 -8.425 -1.750 6.491
10 HD3 LYS 1 HD3 LYS 1 -7.874 -3.080 5.445
11 HE2 LYS 1 HE2 LYS 1 -5.987 -1.689 4.640
12 HE3 LYS 1 HE3 LYS 1 -6.527 -0.352 5.669
13 HZ1 LYS 1 HZ1 LYS 1 -6.163 -1.784 7.610
14 HZ2 LYS 1 HZ2 LYS 1 -5.648 -3.012 6.664
15 HZ3 LYS 1 HZ3 LYS 1 -4.780 -1.631 6.761
16 H LEU 2 H LEU 2 -9.488 -3.444 1.983
17 HA LEU 2 HA LEU 2 -8.194 -1.791 -0.069
18 HB2 LEU 2 HB2 LEU 2 -7.060 -3.207 1.779
19 HB3 LEU 2 HB3 LEU 2 -7.546 -4.612 0.819
20 HG LEU 2 HG LEU 2 -6.233 -3.565 -1.121
21 HD11 LEU 2 HD11 LEU 2 -5.160 -1.827 1.162
22 HD12 LEU 2 HD12 LEU 2 -4.480 -1.946 -0.483
23 HD13 LEU 2 HD13 LEU 2 -6.074 -1.231 -0.244
24 HD21 LEU 2 HD21 LEU 2 -5.385 -5.406 0.287
25 HD22 LEU 2 HD22 LEU 2 -4.071 -4.314 -0.209
26 HD23 LEU 2 HD23 LEU 2 -4.738 -4.233 1.446
27 HA PRO 3 HA PRO 3 -10.720 -3.702 -3.200
28 HB2 PRO 3 HB2 PRO 3 -9.283 -3.141 -5.503
29 HB3 PRO 3 HB3 PRO 3 -10.274 -1.954 -4.598
30 HG2 PRO 3 HG2 PRO 3 -7.287 -2.417 -4.405
31 HG3 PRO 3 HG3 PRO 3 -8.164 -0.871 -4.551
32 HD2 PRO 3 HD2 PRO 3 -7.287 -1.799 -2.170
33 HD3 PRO 3 HD3 PRO 3 -8.866 -0.963 -2.317
34 HA PRO 4 HA PRO 4 -9.557 -7.816 -3.965
35 HB2 PRO 4 HB2 PRO 4 -10.276 -7.461 -6.882
36 HB3 PRO 4 HB3 PRO 4 -10.743 -8.778 -5.755
37 HG2 PRO 4 HG2 PRO 4 -12.490 -6.788 -6.285
38 HG3 PRO 4 HG3 PRO 4 -12.260 -7.330 -4.588
39 HD2 PRO 4 HD2 PRO 4 -11.055 -4.921 -5.974
40 HD3 PRO 4 HD3 PRO 4 -11.815 -5.044 -4.358
41 H GLY 5 H GLY 5 -7.835 -9.074 -4.406
42 HA2 GLY 5 HA2 GLY 5 -5.902 -9.881 -5.342
43 HA3 GLY 5 HA3 GLY 5 -5.969 -8.619 -6.589
44 H TRP 6 H TRP 6 -6.038 -6.509 -4.281
45 HA TRP 6 HA TRP 6 -3.141 -6.251 -4.031
46 HB2 TRP 6 HB2 TRP 6 -5.399 -4.537 -3.007
47 HB3 TRP 6 HB3 TRP 6 -3.695 -4.177 -2.766
48 HD1 TRP 6 HD1 TRP 6 -6.406 -4.130 -5.365
49 HE1 TRP 6 HE1 TRP 6 -5.640 -2.873 -7.475
50 HE3 TRP 6 HE3 TRP 6 -1.440 -3.734 -4.259
51 HZ2 TRP 6 HZ2 TRP 6 -3.113 -2.075 -8.652
52 HZ3 TRP 6 HZ3 TRP 6 0.152 -2.709 -5.919
53 HH2 TRP 6 HH2 TRP 6 -0.680 -1.924 -8.110
54 H GLU 7 H GLU 7 -1.904 -6.149 -2.198
55 HA GLU 7 HA GLU 7 -3.000 -6.783 0.458
56 HB2 GLU 7 HB2 GLU 7 -2.524 -8.990 -0.449
57 HB3 GLU 7 HB3 GLU 7 -1.000 -8.446 -1.113
58 HG2 GLU 7 HG2 GLU 7 -0.635 -9.911 0.748
59 HG3 GLU 7 HG3 GLU 7 0.035 -8.320 1.048
60 H LYS 8 H LYS 8 -1.759 -5.908 2.150
61 HA LYS 8 HA LYS 8 0.145 -3.826 1.407
62 HB2 LYS 8 HB2 LYS 8 -0.954 -4.768 4.057
63 HB3 LYS 8 HB3 LYS 8 0.461 -3.700 3.983
64 HG2 LYS 8 HG2 LYS 8 -0.777 -2.131 2.519
65 HG3 LYS 8 HG3 LYS 8 -2.211 -3.169 2.646
66 HD2 LYS 8 HD2 LYS 8 -2.563 -1.381 4.149
67 HD3 LYS 8 HD3 LYS 8 -2.103 -2.753 5.182
68 HE2 LYS 8 HE2 LYS 8 0.265 -1.893 5.211
69 HE3 LYS 8 HE3 LYS 8 -0.233 -0.534 4.197
70 HZ1 LYS 8 HZ1 LYS 8 -0.172 0.078 6.542
71 HZ2 LYS 8 HZ2 LYS 8 -1.707 0.184 6.001
72 HZ3 LYS 8 HZ3 LYS 8 -1.248 -1.081 6.936
73 H ARG 9 H ARG 9 2.234 -3.633 1.780
74 HA ARG 9 HA ARG 9 3.956 -6.000 2.407
75 HB2 ARG 9 HB2 ARG 9 3.298 -4.896 -0.244
76 HB3 ARG 9 HB3 ARG 9 4.985 -4.647 0.105
77 HG2 ARG 9 HG2 ARG 9 4.655 -6.697 -1.126
78 HG3 ARG 9 HG3 ARG 9 5.326 -7.055 0.479
79 HD2 ARG 9 HD2 ARG 9 3.229 -7.846 1.287
80 HD3 ARG 9 HD3 ARG 9 2.340 -7.199 -0.112
81 HE ARG 9 HE ARG 9 3.943 -8.906 -1.387
82 HH11 ARG 9 HH11 ARG 9 2.925 -12.082 -0.586
83 HH12 ARG 9 HH12 ARG 9 3.753 -11.075 -1.742
84 HH21 ARG 9 HH21 ARG 9 2.143 -9.525 1.558
85 HH22 ARG 9 HH22 ARG 9 2.040 -11.237 1.233
86 H MET 10 H MET 10 6.287 -5.409 2.522
87 HA MET 10 HA MET 10 6.915 -2.583 2.938
88 HB2 MET 10 HB2 MET 10 5.833 -3.342 5.102
89 HB3 MET 10 HB3 MET 10 7.170 -4.493 5.292
90 HG2 MET 10 HG2 MET 10 8.761 -2.529 5.244
91 HG3 MET 10 HG3 MET 10 7.353 -1.461 5.128
92 HE1 MET 10 HE1 MET 10 8.744 -3.824 8.848
93 HE2 MET 10 HE2 MET 10 8.210 -4.679 7.387
94 HE3 MET 10 HE3 MET 10 9.646 -3.631 7.330
95 H PHE 11 H PHE 11 8.981 -2.110 2.625
96 HA PHE 11 HA PHE 11 10.912 -4.094 1.789
97 HB2 PHE 11 HB2 PHE 11 11.014 -1.099 2.122
98 HB3 PHE 11 HB3 PHE 11 12.430 -2.049 1.673
99 HD1 PHE 11 HD1 PHE 11 12.342 -3.541 -0.410
100 HD2 PHE 11 HD2 PHE 11 9.463 -0.438 0.415
101 HE1 PHE 11 HE1 PHE 11 11.707 -3.486 -2.812
102 HE2 PHE 11 HE2 PHE 11 8.843 -0.374 -1.988
103 HZ PHE 11 HZ PHE 11 9.960 -1.901 -3.603
104 H ALA 12 H ALA 12 13.097 -4.346 2.587
105 HA ALA 12 HA ALA 12 13.249 -4.991 5.347
106 HB1 ALA 12 HB1 ALA 12 15.470 -4.490 3.314
107 HB2 ALA 12 HB2 ALA 12 15.638 -5.367 4.850
108 HB3 ALA 12 HB3 ALA 12 14.610 -6.028 3.566
109 H ASN 13 H ASN 13 13.821 -1.919 3.768
110 HA ASN 13 HA ASN 13 15.222 -0.727 6.058
111 HB2 ASN 13 HB2 ASN 13 15.322 1.273 4.701
112 HB3 ASN 13 HB3 ASN 13 15.824 -0.137 3.760
113 HD21 ASN 13 HD21 ASN 13 15.481 1.099 1.874
114 H GLY 14 H GLY 14 12.005 -1.510 5.674
115 HA2 GLY 14 HA2 GLY 14 10.304 -1.021 7.182
116 HA3 GLY 14 HA3 GLY 14 11.160 0.426 7.739
117 H THR 15 H THR 15 10.743 0.164 4.268
118 HA THR 15 HA THR 15 8.747 2.364 4.283
119 HB THR 15 HB THR 15 10.368 1.064 2.059
120 HG1 THR 15 HG1 THR 15 11.691 2.176 3.240
121 HG21 THR 15 HG21 THR 15 9.764 3.045 0.713
122 HG22 THR 15 HG22 THR 15 8.372 2.017 1.056
123 HG23 THR 15 HG23 THR 15 8.597 3.530 1.972
124 H VAL 16 H VAL 16 6.620 2.026 3.869
125 HA VAL 16 HA VAL 16 5.687 -0.736 3.307
126 HB VAL 16 HB VAL 16 4.348 1.798 4.319
127 HG11 VAL 16 HG11 VAL 16 2.301 0.458 4.701
128 HG12 VAL 16 HG12 VAL 16 2.636 0.668 2.984
129 HG13 VAL 16 HG13 VAL 16 3.007 -0.883 3.774
130 HG21 VAL 16 HG21 VAL 16 4.006 0.457 6.358
131 HG22 VAL 16 HG22 VAL 16 4.787 -0.940 5.592
132 HG23 VAL 16 HG23 VAL 16 5.728 0.525 5.952
133 H TYR 17 H TYR 17 4.452 -1.306 1.607
134 HA TYR 17 HA TYR 17 3.556 0.639 -0.408
135 HB2 TYR 17 HB2 TYR 17 4.607 -0.405 -2.265
136 HB3 TYR 17 HB3 TYR 17 5.828 0.148 -1.124
137 HD1 TYR 17 HD1 TYR 17 7.042 -1.555 0.350
138 HD2 TYR 17 HD2 TYR 17 4.573 -2.650 -3.011
139 HE1 TYR 17 HE1 TYR 17 8.274 -3.709 0.138
140 HE2 TYR 17 HE2 TYR 17 5.793 -4.817 -3.203
141 HH TYR 17 HH TYR 17 8.526 -5.632 -1.050
142 H TYR 18 H TYR 18 2.438 -0.815 -2.257
143 HA TYR 18 HA TYR 18 0.872 -3.020 -1.003
144 HB2 TYR 18 HB2 TYR 18 -0.032 -0.997 -3.084
145 HB3 TYR 18 HB3 TYR 18 -0.956 -2.378 -2.496
146 HD1 TYR 18 HD1 TYR 18 -1.993 -2.423 -0.329
147 HD2 TYR 18 HD2 TYR 18 0.360 0.968 -1.586
148 HE1 TYR 18 HE1 TYR 18 -2.930 -1.087 1.525
149 HE2 TYR 18 HE2 TYR 18 -0.556 2.304 0.308
150 HH TYR 18 HH TYR 18 -3.007 0.967 2.544
151 H PHE 19 H PHE 19 0.495 -4.845 -2.146
152 HA PHE 19 HA PHE 19 1.772 -5.165 -4.802
153 HB2 PHE 19 HB2 PHE 19 3.393 -6.011 -3.392
154 HB3 PHE 19 HB3 PHE 19 2.195 -6.773 -2.337
155 HD1 PHE 19 HD1 PHE 19 3.933 -7.074 -5.599
156 HD2 PHE 19 HD2 PHE 19 1.320 -8.998 -2.749
157 HE1 PHE 19 HE1 PHE 19 4.294 -9.244 -6.731
158 HE2 PHE 19 HE2 PHE 19 1.732 -11.174 -3.856
159 HZ PHE 19 HZ PHE 19 3.202 -11.306 -5.859
160 H ASN 20 H ASN 20 0.740 -6.210 -6.361
161 HA ASN 20 HA ASN 20 -1.979 -7.237 -5.733
162 HB2 ASN 20 HB2 ASN 20 -1.646 -5.487 -7.477
163 HB3 ASN 20 HB3 ASN 20 -0.692 -6.648 -8.422
164 HD21 ASN 20 HD21 ASN 20 -3.356 -5.283 -8.942
165 HD22 ASN 20 HD22 ASN 20 -4.432 -6.635 -9.303
166 H HIS 21 H HIS 21 -1.927 -9.347 -5.112
167 HA HIS 21 HA HIS 21 0.251 -11.091 -5.939
168 HB2 HIS 21 HB2 HIS 21 -0.317 -12.406 -4.231
169 HB3 HIS 21 HB3 HIS 21 -1.166 -10.968 -3.674
170 HD2 HIS 21 HD2 HIS 21 -3.937 -10.973 -4.266
171 HE1 HIS 21 HE1 HIS 21 -4.233 -15.224 -4.386
172 HE2 HIS 21 HE2 HIS 21 -5.556 -13.055 -4.212
173 H ILE 22 H ILE 22 -2.708 -10.351 -7.461
174 HA ILE 22 HA ILE 22 -3.041 -12.899 -8.847
175 HB ILE 22 HB ILE 22 -4.193 -10.163 -9.509
176 HG12 ILE 22 HG12 ILE 22 -4.822 -10.687 -7.212
177 HG13 ILE 22 HG13 ILE 22 -6.209 -10.725 -8.302
178 HG21 ILE 22 HG21 ILE 22 -4.428 -11.650 -11.367
179 HG22 ILE 22 HG22 ILE 22 -5.033 -12.958 -10.329
180 HG23 ILE 22 HG23 ILE 22 -6.006 -11.490 -10.591
181 HD11 ILE 22 HD11 ILE 22 -6.195 -13.195 -8.273
182 HD12 ILE 22 HD12 ILE 22 -4.755 -13.183 -7.226
183 HD13 ILE 22 HD13 ILE 22 -6.296 -12.528 -6.636
184 H THR 23 H THR 23 -1.653 -9.697 -9.501
185 HA THR 23 HA THR 23 -0.768 -10.524 -12.215
186 HB THR 23 HB THR 23 -0.970 -8.308 -12.928
187 HG1 THR 23 HG1 THR 23 -1.705 -6.772 -11.217
188 HG21 THR 23 HG21 THR 23 -3.313 -8.575 -11.000
189 HG22 THR 23 HG22 THR 23 -3.247 -7.683 -12.532
190 HG23 THR 23 HG23 THR 23 -3.194 -9.455 -12.542
191 H ASN 24 H ASN 24 0.620 -9.908 -9.236
192 HA ASN 24 HA ASN 24 2.621 -9.542 -8.417
193 HB2 ASN 24 HB2 ASN 24 3.746 -10.247 -11.145
194 HB3 ASN 24 HB3 ASN 24 4.671 -10.116 -9.643
195 HD21 ASN 24 HD21 ASN 24 3.275 -12.360 -11.634
196 HD22 ASN 24 HD22 ASN 24 3.042 -13.630 -10.428
197 H ALA 25 H ALA 25 1.142 -7.302 -10.047
198 HA ALA 25 HA ALA 25 3.194 -5.285 -10.421
199 HB1 ALA 25 HB1 ALA 25 0.203 -4.994 -9.900
200 HB2 ALA 25 HB2 ALA 25 1.292 -3.739 -10.520
201 HB3 ALA 25 HB3 ALA 25 0.964 -5.182 -11.498
202 H SER 26 H SER 26 3.510 -3.365 -9.053
203 HA SER 26 HA SER 26 2.513 -3.412 -6.322
204 HB2 SER 26 HB2 SER 26 4.713 -3.334 -5.218
205 HB3 SER 26 HB3 SER 26 4.389 -4.891 -5.983
206 HG SER 26 HG SER 26 5.731 -4.304 -7.686
207 H GLN 27 H GLN 27 2.665 -1.508 -5.199
208 HA GLN 27 HA GLN 27 4.025 0.864 -6.203
209 HB2 GLN 27 HB2 GLN 27 2.098 2.115 -6.896
210 HB3 GLN 27 HB3 GLN 27 2.058 0.582 -7.773
211 HG2 GLN 27 HG2 GLN 27 0.364 -0.266 -6.116
212 HG3 GLN 27 HG3 GLN 27 0.348 1.330 -5.379
213 HE21 GLN 27 HE21 GLN 27 -1.566 2.277 -5.936
214 HE22 GLN 27 HE22 GLN 27 -2.237 2.279 -7.580
215 H PHE 28 H PHE 28 4.091 2.502 -4.541
216 HA PHE 28 HA PHE 28 2.749 1.814 -2.006
217 HB2 PHE 28 HB2 PHE 28 4.026 3.861 -1.116
218 HB3 PHE 28 HB3 PHE 28 4.808 2.305 -1.393
219 HD1 PHE 28 HD1 PHE 28 4.018 5.361 -3.467
220 HD2 PHE 28 HD2 PHE 28 6.896 2.385 -2.280
221 HE1 PHE 28 HE1 PHE 28 5.639 6.337 -5.054
222 HE2 PHE 28 HE2 PHE 28 8.576 3.400 -3.846
223 HZ PHE 28 HZ PHE 28 7.943 5.369 -5.237
224 H GLU 29 H GLU 29 1.974 3.827 -4.589
225 HA GLU 29 HA GLU 29 0.290 5.701 -3.177
226 HB2 GLU 29 HB2 GLU 29 1.141 6.097 -5.449
227 HB3 GLU 29 HB3 GLU 29 0.323 4.652 -6.030
228 HG2 GLU 29 HG2 GLU 29 -0.946 6.508 -6.749
229 HG3 GLU 29 HG3 GLU 29 -1.892 5.664 -5.533
230 H ARG 30 H ARG 30 -1.456 5.173 -2.012
231 HA ARG 30 HA ARG 30 -2.301 2.579 -1.650
232 HB2 ARG 30 HB2 ARG 30 -2.494 4.251 -0.001
233 HB3 ARG 30 HB3 ARG 30 -3.677 5.175 -0.923
234 HG2 ARG 30 HG2 ARG 30 -4.254 2.317 -0.062
235 HG3 ARG 30 HG3 ARG 30 -4.416 3.656 1.084
236 HD2 ARG 30 HD2 ARG 30 -6.372 4.337 0.243
237 HD3 ARG 30 HD3 ARG 30 -5.768 4.342 -1.400
238 HE ARG 30 HE ARG 30 -6.490 2.134 -1.758
239 HH11 ARG 30 HH11 ARG 30 -7.338 3.009 1.555
240 HH12 ARG 30 HH12 ARG 30 -8.625 1.826 1.577
241 HH21 ARG 30 HH21 ARG 30 -8.093 0.794 -1.649
242 HH22 ARG 30 HH22 ARG 30 -9.017 0.554 -0.158
243 HA PRO 31 HA PRO 31 -4.554 1.847 -5.342
244 HB2 PRO 31 HB2 PRO 31 -5.422 -0.725 -4.946
245 HB3 PRO 31 HB3 PRO 31 -3.716 -0.263 -5.228
246 HG2 PRO 31 HG2 PRO 31 -5.062 -0.757 -2.551
247 HG3 PRO 31 HG3 PRO 31 -3.521 -1.443 -3.164
248 HD2 PRO 31 HD2 PRO 31 -3.559 0.726 -1.559
249 HD3 PRO 31 HD3 PRO 31 -2.408 0.623 -2.928
250 H SER 32 H SER 32 -6.454 2.531 -6.063
251 HA SER 32 HA SER 32 -8.923 2.355 -4.431
252 HB2 SER 32 HB2 SER 32 -9.859 3.828 -6.166
253 HB3 SER 32 HB3 SER 32 -8.389 4.495 -5.435
254 HG SER 32 HG SER 32 -8.387 4.669 -7.723
255 H GLY 33 H GLY 33 -7.431 0.704 -7.106
256 HA2 GLY 33 HA2 GLY 33 -9.189 -1.483 -7.221
257 HA3 GLY 33 HA3 GLY 33 -9.766 -0.342 -8.435
258 H1B XYP 101 H1 XYP 34 12.688 1.947 1.276
259 H2B XYP 101 H2 XYP 34 15.319 2.536 -0.188
260 H3B XYP 101 H3 XYP 34 12.508 3.624 -0.715
261 H4B XYP 101 H4 XYP 34 14.152 1.676 -2.410
262 H5B1 XYP 101 H5E XYP 34 12.487 -0.034 -1.801
263 H5B2 XYP 101 H5A XYP 34 11.610 1.131 -0.790
264 HO2B XYP 101 H2O XYP 34 14.860 3.653 1.854
265 HO3B XYP 101 H3O XYP 34 14.360 4.986 -1.241
266 HO4B XYP 101 H4O XYP 34 12.661 3.210 -3.418
Start of MODEL 17
1 H1 LYS 1 H1 LYS 1 -12.518 -1.520 2.080
2 H2 LYS 1 H2 LYS 1 -12.510 -1.644 3.708
3 H3 LYS 1 H3 LYS 1 -11.801 -2.805 2.802
4 HA LYS 1 HA LYS 1 -10.937 0.006 3.008
5 HB2 LYS 1 HB2 LYS 1 -10.467 -1.237 5.076
6 HB3 LYS 1 HB3 LYS 1 -9.606 -2.475 4.161
7 HG2 LYS 1 HG2 LYS 1 -7.960 -0.674 3.410
8 HG3 LYS 1 HG3 LYS 1 -8.842 0.468 4.427
9 HD2 LYS 1 HD2 LYS 1 -6.928 -0.234 5.657
10 HD3 LYS 1 HD3 LYS 1 -8.320 -1.024 6.413
11 HE2 LYS 1 HE2 LYS 1 -7.791 -3.111 5.116
12 HE3 LYS 1 HE3 LYS 1 -6.397 -2.292 4.396
13 HZ1 LYS 1 HZ1 LYS 1 -5.476 -2.063 6.648
14 HZ2 LYS 1 HZ2 LYS 1 -6.766 -2.825 7.298
15 HZ3 LYS 1 HZ3 LYS 1 -5.752 -3.637 6.313
16 H LEU 2 H LEU 2 -9.383 -3.122 2.056
17 HA LEU 2 HA LEU 2 -8.001 -1.697 -0.083
18 HB2 LEU 2 HB2 LEU 2 -6.986 -3.161 1.764
19 HB3 LEU 2 HB3 LEU 2 -7.615 -4.546 0.855
20 HG LEU 2 HG LEU 2 -6.226 -3.668 -1.115
21 HD11 LEU 2 HD11 LEU 2 -4.337 -2.170 -0.509
22 HD12 LEU 2 HD12 LEU 2 -5.880 -1.333 -0.304
23 HD13 LEU 2 HD13 LEU 2 -5.024 -1.958 1.119
24 HD21 LEU 2 HD21 LEU 2 -5.509 -5.540 0.307
25 HD22 LEU 2 HD22 LEU 2 -4.113 -4.549 -0.176
26 HD23 LEU 2 HD23 LEU 2 -4.794 -4.405 1.467
27 HA PRO 3 HA PRO 3 -10.633 -3.531 -3.202
28 HB2 PRO 3 HB2 PRO 3 -8.418 -3.314 -5.176
29 HB3 PRO 3 HB3 PRO 3 -10.038 -2.565 -5.204
30 HG2 PRO 3 HG2 PRO 3 -7.769 -1.126 -4.663
31 HG3 PRO 3 HG3 PRO 3 -9.342 -0.767 -3.879
32 HD2 PRO 3 HD2 PRO 3 -7.001 -2.328 -2.735
33 HD3 PRO 3 HD3 PRO 3 -8.032 -1.069 -1.998
34 HA PRO 4 HA PRO 4 -9.702 -7.859 -3.713
35 HB2 PRO 4 HB2 PRO 4 -10.513 -7.567 -6.608
36 HB3 PRO 4 HB3 PRO 4 -11.017 -8.805 -5.411
37 HG2 PRO 4 HG2 PRO 4 -12.670 -6.747 -5.997
38 HG3 PRO 4 HG3 PRO 4 -12.435 -7.235 -4.284
39 HD2 PRO 4 HD2 PRO 4 -11.116 -4.953 -5.784
40 HD3 PRO 4 HD3 PRO 4 -11.869 -4.961 -4.157
41 H GLY 5 H GLY 5 -7.994 -9.159 -4.215
42 HA2 GLY 5 HA2 GLY 5 -6.115 -9.994 -5.242
43 HA3 GLY 5 HA3 GLY 5 -6.260 -8.763 -6.510
44 H TRP 6 H TRP 6 -6.188 -6.724 -4.038
45 HA TRP 6 HA TRP 6 -3.261 -6.427 -4.055
46 HB2 TRP 6 HB2 TRP 6 -5.467 -4.711 -2.936
47 HB3 TRP 6 HB3 TRP 6 -3.758 -4.357 -2.732
48 HD1 TRP 6 HD1 TRP 6 -6.512 -4.337 -5.294
49 HE1 TRP 6 HE1 TRP 6 -5.793 -3.072 -7.415
50 HE3 TRP 6 HE3 TRP 6 -1.545 -3.839 -4.235
51 HZ2 TRP 6 HZ2 TRP 6 -3.287 -2.292 -8.644
52 HZ3 TRP 6 HZ3 TRP 6 0.018 -2.857 -5.947
53 HH2 TRP 6 HH2 TRP 6 -0.846 -2.129 -8.142
54 H GLU 7 H GLU 7 -1.918 -6.282 -2.294
55 HA GLU 7 HA GLU 7 -2.855 -6.952 0.413
56 HB2 GLU 7 HB2 GLU 7 -2.366 -9.134 -0.467
57 HB3 GLU 7 HB3 GLU 7 -0.913 -8.564 -1.263
58 HG2 GLU 7 HG2 GLU 7 -0.371 -9.994 0.588
59 HG3 GLU 7 HG3 GLU 7 0.289 -8.387 0.803
60 H LYS 8 H LYS 8 -1.520 -6.132 2.046
61 HA LYS 8 HA LYS 8 0.241 -3.916 1.262
62 HB2 LYS 8 HB2 LYS 8 -0.726 -4.950 3.932
63 HB3 LYS 8 HB3 LYS 8 0.628 -3.808 3.824
64 HG2 LYS 8 HG2 LYS 8 -0.733 -2.261 2.473
65 HG3 LYS 8 HG3 LYS 8 -2.105 -3.380 2.571
66 HD2 LYS 8 HD2 LYS 8 -2.526 -1.682 4.172
67 HD3 LYS 8 HD3 LYS 8 -1.990 -3.083 5.119
68 HE2 LYS 8 HE2 LYS 8 0.328 -2.107 5.175
69 HE3 LYS 8 HE3 LYS 8 -0.253 -0.721 4.241
70 HZ1 LYS 8 HZ1 LYS 8 -1.215 -1.475 6.951
71 HZ2 LYS 8 HZ2 LYS 8 -0.204 -0.239 6.621
72 HZ3 LYS 8 HZ3 LYS 8 -1.746 -0.187 6.091
73 H ARG 9 H ARG 9 2.334 -3.651 1.600
74 HA ARG 9 HA ARG 9 4.131 -5.994 2.102
75 HB2 ARG 9 HB2 ARG 9 3.406 -4.813 -0.479
76 HB3 ARG 9 HB3 ARG 9 5.071 -4.436 -0.133
77 HG2 ARG 9 HG2 ARG 9 4.906 -6.449 -1.448
78 HG3 ARG 9 HG3 ARG 9 5.607 -6.833 0.137
79 HD2 ARG 9 HD2 ARG 9 3.595 -7.876 0.889
80 HD3 ARG 9 HD3 ARG 9 2.634 -7.156 -0.410
81 HE ARG 9 HE ARG 9 3.738 -8.604 -2.028
82 HH11 ARG 9 HH11 ARG 9 4.104 -9.700 1.292
83 HH12 ARG 9 HH12 ARG 9 4.371 -11.348 0.787
84 HH21 ARG 9 HH21 ARG 9 4.096 -10.687 -2.573
85 HH22 ARG 9 HH22 ARG 9 4.368 -11.883 -1.336
86 H MET 10 H MET 10 6.432 -5.350 2.302
87 HA MET 10 HA MET 10 6.965 -2.535 2.902
88 HB2 MET 10 HB2 MET 10 5.842 -3.463 4.976
89 HB3 MET 10 HB3 MET 10 7.211 -4.584 5.136
90 HG2 MET 10 HG2 MET 10 8.736 -2.575 5.269
91 HG3 MET 10 HG3 MET 10 7.301 -1.543 5.171
92 HE1 MET 10 HE1 MET 10 9.589 -3.779 7.311
93 HE2 MET 10 HE2 MET 10 8.641 -4.099 8.780
94 HE3 MET 10 HE3 MET 10 8.187 -4.874 7.248
95 H PHE 11 H PHE 11 9.023 -1.980 2.679
96 HA PHE 11 HA PHE 11 11.044 -3.856 1.802
97 HB2 PHE 11 HB2 PHE 11 11.043 -0.884 2.310
98 HB3 PHE 11 HB3 PHE 11 12.503 -1.767 1.862
99 HD1 PHE 11 HD1 PHE 11 12.558 -3.118 -0.305
100 HD2 PHE 11 HD2 PHE 11 9.508 -0.202 0.590
101 HE1 PHE 11 HE1 PHE 11 12.002 -2.950 -2.722
102 HE2 PHE 11 HE2 PHE 11 8.965 -0.028 -1.825
103 HZ PHE 11 HZ PHE 11 10.208 -1.404 -3.484
104 H ALA 12 H ALA 12 13.206 -4.095 2.669
105 HA ALA 12 HA ALA 12 13.263 -4.918 5.384
106 HB1 ALA 12 HB1 ALA 12 15.553 -4.221 3.490
107 HB2 ALA 12 HB2 ALA 12 15.680 -5.197 4.969
108 HB3 ALA 12 HB3 ALA 12 14.727 -5.795 3.599
109 H ASN 13 H ASN 13 13.809 -1.731 4.041
110 HA ASN 13 HA ASN 13 15.077 -0.657 6.463
111 HB2 ASN 13 HB2 ASN 13 15.158 1.435 5.245
112 HB3 ASN 13 HB3 ASN 13 15.753 0.107 4.240
113 HD21 ASN 13 HD21 ASN 13 15.443 1.445 2.419
114 H GLY 14 H GLY 14 11.905 -1.506 5.889
115 HA2 GLY 14 HA2 GLY 14 10.137 -1.177 7.366
116 HA3 GLY 14 HA3 GLY 14 10.915 0.263 8.039
117 H THR 15 H THR 15 10.639 0.207 4.547
118 HA THR 15 HA THR 15 8.580 2.343 4.628
119 HB THR 15 HB THR 15 10.319 1.250 2.383
120 HG1 THR 15 HG1 THR 15 11.573 2.295 3.697
121 HG21 THR 15 HG21 THR 15 8.337 2.234 1.394
122 HG22 THR 15 HG22 THR 15 8.499 3.681 2.424
123 HG23 THR 15 HG23 THR 15 9.717 3.314 1.175
124 H VAL 16 H VAL 16 6.483 1.978 4.137
125 HA VAL 16 HA VAL 16 5.635 -0.747 3.360
126 HB VAL 16 HB VAL 16 4.179 1.673 4.482
127 HG11 VAL 16 HG11 VAL 16 2.548 0.461 3.121
128 HG12 VAL 16 HG12 VAL 16 3.027 -1.079 3.874
129 HG13 VAL 16 HG13 VAL 16 2.232 0.188 4.831
130 HG21 VAL 16 HG21 VAL 16 5.644 0.471 6.089
131 HG22 VAL 16 HG22 VAL 16 3.935 0.263 6.488
132 HG23 VAL 16 HG23 VAL 16 4.820 -1.052 5.691
133 H TYR 17 H TYR 17 4.397 -1.240 1.620
134 HA TYR 17 HA TYR 17 3.408 0.763 -0.281
135 HB2 TYR 17 HB2 TYR 17 4.674 -0.003 -2.168
136 HB3 TYR 17 HB3 TYR 17 5.809 0.482 -0.919
137 HD1 TYR 17 HD1 TYR 17 7.070 -1.291 0.390
138 HD2 TYR 17 HD2 TYR 17 4.697 -2.199 -3.100
139 HE1 TYR 17 HE1 TYR 17 8.351 -3.401 0.057
140 HE2 TYR 17 HE2 TYR 17 5.950 -4.330 -3.401
141 HH TYR 17 HH TYR 17 8.664 -5.235 -1.254
142 H TYR 18 H TYR 18 2.680 -0.778 -2.339
143 HA TYR 18 HA TYR 18 1.005 -2.951 -1.175
144 HB2 TYR 18 HB2 TYR 18 0.243 -0.788 -3.155
145 HB3 TYR 18 HB3 TYR 18 -0.760 -2.177 -2.723
146 HD1 TYR 18 HD1 TYR 18 0.664 1.009 -1.507
147 HD2 TYR 18 HD2 TYR 18 -1.855 -2.365 -0.566
148 HE1 TYR 18 HE1 TYR 18 -0.237 2.239 0.458
149 HE2 TYR 18 HE2 TYR 18 -2.777 -1.135 1.374
150 HH TYR 18 HH TYR 18 -2.771 0.821 2.562
151 H PHE 19 H PHE 19 0.487 -4.716 -2.344
152 HA PHE 19 HA PHE 19 1.734 -5.090 -5.002
153 HB2 PHE 19 HB2 PHE 19 3.393 -5.898 -3.589
154 HB3 PHE 19 HB3 PHE 19 2.208 -6.669 -2.526
155 HD1 PHE 19 HD1 PHE 19 4.023 -6.989 -5.724
156 HD2 PHE 19 HD2 PHE 19 1.287 -8.889 -2.975
157 HE1 PHE 19 HE1 PHE 19 4.406 -9.168 -6.842
158 HE2 PHE 19 HE2 PHE 19 1.721 -11.070 -4.061
159 HZ PHE 19 HZ PHE 19 3.264 -11.218 -6.007
160 H ASN 20 H ASN 20 0.693 -6.254 -6.494
161 HA ASN 20 HA ASN 20 -2.016 -7.255 -5.762
162 HB2 ASN 20 HB2 ASN 20 -1.748 -5.556 -7.566
163 HB3 ASN 20 HB3 ASN 20 -0.801 -6.733 -8.499
164 HD21 ASN 20 HD21 ASN 20 -4.635 -6.794 -9.142
165 HD22 ASN 20 HD22 ASN 20 -3.636 -5.398 -8.731
166 H HIS 21 H HIS 21 -2.036 -9.366 -5.177
167 HA HIS 21 HA HIS 21 0.169 -11.121 -5.960
168 HB2 HIS 21 HB2 HIS 21 -0.366 -12.383 -4.208
169 HB3 HIS 21 HB3 HIS 21 -1.225 -10.941 -3.678
170 HD2 HIS 21 HD2 HIS 21 -4.002 -10.986 -4.252
171 HE1 HIS 21 HE1 HIS 21 -4.258 -15.241 -4.241
172 HE2 HIS 21 HE2 HIS 21 -5.600 -13.081 -4.122
173 H ILE 22 H ILE 22 -2.804 -10.401 -7.463
174 HA ILE 22 HA ILE 22 -3.147 -12.976 -8.807
175 HB ILE 22 HB ILE 22 -4.307 -10.257 -9.525
176 HG12 ILE 22 HG12 ILE 22 -4.920 -10.682 -7.207
177 HG13 ILE 22 HG13 ILE 22 -6.315 -10.776 -8.284
178 HG21 ILE 22 HG21 ILE 22 -4.550 -11.813 -11.323
179 HG22 ILE 22 HG22 ILE 22 -5.159 -13.077 -10.234
180 HG23 ILE 22 HG23 ILE 22 -6.125 -11.615 -10.548
181 HD11 ILE 22 HD11 ILE 22 -6.376 -12.505 -6.538
182 HD12 ILE 22 HD12 ILE 22 -6.290 -13.240 -8.148
183 HD13 ILE 22 HD13 ILE 22 -4.839 -13.179 -7.119
184 H THR 23 H THR 23 -1.791 -9.768 -9.517
185 HA THR 23 HA THR 23 -0.910 -10.639 -12.214
186 HB THR 23 HB THR 23 -1.116 -8.440 -12.967
187 HG1 THR 23 HG1 THR 23 -1.843 -6.871 -11.284
188 HG21 THR 23 HG21 THR 23 -3.445 -8.666 -11.020
189 HG22 THR 23 HG22 THR 23 -3.389 -7.809 -12.571
190 HG23 THR 23 HG23 THR 23 -3.337 -9.580 -12.543
191 H ASN 24 H ASN 24 0.508 -9.980 -9.259
192 HA ASN 24 HA ASN 24 2.521 -9.600 -8.466
193 HB2 ASN 24 HB2 ASN 24 3.625 -10.322 -11.199
194 HB3 ASN 24 HB3 ASN 24 4.551 -10.198 -9.697
195 HD21 ASN 24 HD21 ASN 24 3.145 -12.430 -11.693
196 HD22 ASN 24 HD22 ASN 24 2.905 -13.703 -10.492
197 H ALA 25 H ALA 25 1.010 -7.384 -10.084
198 HA ALA 25 HA ALA 25 3.052 -5.375 -10.552
199 HB1 ALA 25 HB1 ALA 25 0.072 -5.074 -9.979
200 HB2 ALA 25 HB2 ALA 25 1.145 -3.838 -10.663
201 HB3 ALA 25 HB3 ALA 25 0.799 -5.312 -11.587
202 H SER 26 H SER 26 3.291 -3.371 -9.260
203 HA SER 26 HA SER 26 2.444 -3.401 -6.467
204 HB2 SER 26 HB2 SER 26 4.733 -3.133 -5.540
205 HB3 SER 26 HB3 SER 26 4.428 -4.734 -6.214
206 HG SER 26 HG SER 26 5.831 -2.613 -7.506
207 H GLN 27 H GLN 27 2.642 -1.435 -5.361
208 HA GLN 27 HA GLN 27 3.698 0.942 -6.710
209 HB2 GLN 27 HB2 GLN 27 1.580 2.108 -6.903
210 HB3 GLN 27 HB3 GLN 27 1.543 0.609 -7.844
211 HG2 GLN 27 HG2 GLN 27 0.201 -0.483 -6.086
212 HG3 GLN 27 HG3 GLN 27 0.223 0.998 -5.139
213 HE21 GLN 27 HE21 GLN 27 -1.407 2.480 -5.543
214 HE22 GLN 27 HE22 GLN 27 -2.452 2.440 -6.976
215 H PHE 28 H PHE 28 3.904 2.757 -5.347
216 HA PHE 28 HA PHE 28 3.776 2.164 -2.478
217 HB2 PHE 28 HB2 PHE 28 5.814 3.021 -3.020
218 HB3 PHE 28 HB3 PHE 28 5.144 4.253 -4.095
219 HD1 PHE 28 HD1 PHE 28 4.243 6.366 -3.261
220 HD2 PHE 28 HD2 PHE 28 5.874 3.413 -0.570
221 HE1 PHE 28 HE1 PHE 28 4.292 8.052 -1.443
222 HE2 PHE 28 HE2 PHE 28 5.940 5.107 1.245
223 HZ PHE 28 HZ PHE 28 5.148 7.430 0.814
224 H GLU 29 H GLU 29 2.178 4.568 -4.524
225 HA GLU 29 HA GLU 29 0.561 5.634 -2.352
226 HB2 GLU 29 HB2 GLU 29 0.935 7.028 -4.254
227 HB3 GLU 29 HB3 GLU 29 0.472 5.752 -5.374
228 HG2 GLU 29 HG2 GLU 29 -1.207 7.444 -5.348
229 HG3 GLU 29 HG3 GLU 29 -1.872 5.939 -4.741
230 H ARG 30 H ARG 30 -1.483 4.945 -1.655
231 HA ARG 30 HA ARG 30 -1.824 2.156 -1.950
232 HB2 ARG 30 HB2 ARG 30 -3.549 2.242 -0.367
233 HB3 ARG 30 HB3 ARG 30 -2.365 3.431 0.100
234 HG2 ARG 30 HG2 ARG 30 -3.782 5.128 -0.023
235 HG3 ARG 30 HG3 ARG 30 -4.523 4.621 -1.555
236 HD2 ARG 30 HD2 ARG 30 -5.122 3.429 1.177
237 HD3 ARG 30 HD3 ARG 30 -6.130 4.609 0.327
238 HE ARG 30 HE ARG 30 -5.850 2.399 -1.452
239 HH11 ARG 30 HH11 ARG 30 -8.671 0.727 -0.415
240 HH12 ARG 30 HH12 ARG 30 -7.605 1.148 -1.765
241 HH21 ARG 30 HH21 ARG 30 -7.205 2.864 1.783
242 HH22 ARG 30 HH22 ARG 30 -8.485 1.712 1.466
243 HA PRO 31 HA PRO 31 -4.328 1.508 -5.409
244 HB2 PRO 31 HB2 PRO 31 -5.478 -0.912 -4.915
245 HB3 PRO 31 HB3 PRO 31 -3.713 -0.642 -5.065
246 HG2 PRO 31 HG2 PRO 31 -5.256 -0.764 -2.465
247 HG3 PRO 31 HG3 PRO 31 -3.843 -1.760 -2.963
248 HD2 PRO 31 HD2 PRO 31 -3.515 0.480 -1.538
249 HD3 PRO 31 HD3 PRO 31 -2.403 0.110 -2.894
250 H SER 32 H SER 32 -6.432 1.379 -6.331
251 HA SER 32 HA SER 32 -8.823 1.462 -4.611
252 HB2 SER 32 HB2 SER 32 -7.950 3.825 -6.290
253 HB3 SER 32 HB3 SER 32 -9.639 3.580 -5.805
254 HG SER 32 HG SER 32 -7.634 3.379 -3.861
255 H GLY 33 H GLY 33 -7.561 -0.157 -6.948
256 HA2 GLY 33 HA2 GLY 33 -9.817 -1.361 -7.972
257 HA3 GLY 33 HA3 GLY 33 -9.479 -0.070 -9.128
258 H1B XYP 101 H1 XYP 34 12.655 2.256 1.764
259 H2B XYP 101 H2 XYP 34 15.320 2.971 0.425
260 H3B XYP 101 H3 XYP 34 12.506 4.034 -0.144
261 H4B XYP 101 H4 XYP 34 14.245 2.208 -1.879
262 H5B1 XYP 101 H5E XYP 34 12.593 0.440 -1.419
263 H5B2 XYP 101 H5A XYP 34 11.661 1.534 -0.378
264 HO2B XYP 101 H2O XYP 34 14.769 3.970 2.504
265 HO3B XYP 101 H3O XYP 34 14.348 5.456 -0.533
266 HO4B XYP 101 H4O XYP 34 12.760 3.766 -2.859
Start of MODEL 18
1 H1 LYS 1 H1 LYS 1 -12.421 -2.684 4.132
2 H2 LYS 1 H2 LYS 1 -11.811 -3.617 2.933
3 H3 LYS 1 H3 LYS 1 -12.511 -2.176 2.582
4 HA LYS 1 HA LYS 1 -10.819 -0.962 3.738
5 HB2 LYS 1 HB2 LYS 1 -10.263 -2.589 5.450
6 HB3 LYS 1 HB3 LYS 1 -9.612 -3.702 4.247
7 HG2 LYS 1 HG2 LYS 1 -7.841 -1.964 3.688
8 HG3 LYS 1 HG3 LYS 1 -8.467 -0.975 5.015
9 HD2 LYS 1 HD2 LYS 1 -7.879 -2.711 6.628
10 HD3 LYS 1 HD3 LYS 1 -7.463 -3.845 5.322
11 HE2 LYS 1 HE2 LYS 1 -5.650 -2.335 4.560
12 HE3 LYS 1 HE3 LYS 1 -6.053 -1.195 5.855
13 HZ1 LYS 1 HZ1 LYS 1 -5.520 -2.944 7.473
14 HZ2 LYS 1 HZ2 LYS 1 -5.124 -3.987 6.280
15 HZ3 LYS 1 HZ3 LYS 1 -4.227 -2.642 6.528
16 H LEU 2 H LEU 2 -9.303 -3.769 2.082
17 HA LEU 2 HA LEU 2 -8.095 -1.876 0.181
18 HB2 LEU 2 HB2 LEU 2 -6.814 -3.280 1.851
19 HB3 LEU 2 HB3 LEU 2 -7.318 -4.707 0.933
20 HG LEU 2 HG LEU 2 -6.061 -3.757 -1.044
21 HD11 LEU 2 HD11 LEU 2 -6.001 -1.356 -0.387
22 HD12 LEU 2 HD12 LEU 2 -5.069 -1.776 1.074
23 HD13 LEU 2 HD13 LEU 2 -4.370 -1.994 -0.554
24 HD21 LEU 2 HD21 LEU 2 -3.853 -4.320 -0.123
25 HD22 LEU 2 HD22 LEU 2 -4.472 -4.104 1.536
26 HD23 LEU 2 HD23 LEU 2 -5.092 -5.418 0.524
27 HA PRO 3 HA PRO 3 -10.523 -3.574 -3.098
28 HB2 PRO 3 HB2 PRO 3 -8.311 -3.143 -5.048
29 HB3 PRO 3 HB3 PRO 3 -9.964 -2.464 -5.035
30 HG2 PRO 3 HG2 PRO 3 -7.770 -0.968 -4.381
31 HG3 PRO 3 HG3 PRO 3 -9.344 -0.748 -3.547
32 HD2 PRO 3 HD2 PRO 3 -6.925 -2.309 -2.590
33 HD3 PRO 3 HD3 PRO 3 -7.979 -1.160 -1.716
34 HA PRO 4 HA PRO 4 -9.603 -7.815 -3.969
35 HB2 PRO 4 HB2 PRO 4 -10.315 -7.300 -6.860
36 HB3 PRO 4 HB3 PRO 4 -10.858 -8.626 -5.782
37 HG2 PRO 4 HG2 PRO 4 -12.489 -6.520 -6.251
38 HG3 PRO 4 HG3 PRO 4 -12.304 -7.141 -4.574
39 HD2 PRO 4 HD2 PRO 4 -10.944 -4.753 -5.854
40 HD3 PRO 4 HD3 PRO 4 -11.733 -4.888 -4.251
41 H GLY 5 H GLY 5 -7.889 -9.070 -4.467
42 HA2 GLY 5 HA2 GLY 5 -5.939 -9.849 -5.393
43 HA3 GLY 5 HA3 GLY 5 -6.029 -8.597 -6.648
44 H TRP 6 H TRP 6 -6.085 -6.453 -4.389
45 HA TRP 6 HA TRP 6 -3.191 -6.197 -4.131
46 HB2 TRP 6 HB2 TRP 6 -5.457 -4.464 -3.155
47 HB3 TRP 6 HB3 TRP 6 -3.760 -4.121 -2.849
48 HD1 TRP 6 HD1 TRP 6 -6.377 -3.982 -5.534
49 HE1 TRP 6 HE1 TRP 6 -5.475 -2.870 -7.667
50 HE3 TRP 6 HE3 TRP 6 -1.432 -3.816 -4.290
51 HZ2 TRP 6 HZ2 TRP 6 -2.894 -2.150 -8.754
52 HZ3 TRP 6 HZ3 TRP 6 0.250 -2.933 -5.921
53 HH2 TRP 6 HH2 TRP 6 -0.471 -2.129 -8.147
54 H GLU 7 H GLU 7 -1.908 -6.305 -2.414
55 HA GLU 7 HA GLU 7 -2.938 -6.779 0.312
56 HB2 GLU 7 HB2 GLU 7 -1.118 -8.601 -1.295
57 HB3 GLU 7 HB3 GLU 7 -0.930 -8.485 0.454
58 HG2 GLU 7 HG2 GLU 7 -3.455 -9.345 -1.008
59 HG3 GLU 7 HG3 GLU 7 -2.286 -10.404 -0.240
60 H LYS 8 H LYS 8 -1.533 -6.107 1.963
61 HA LYS 8 HA LYS 8 0.276 -3.936 1.202
62 HB2 LYS 8 HB2 LYS 8 -0.783 -4.935 3.845
63 HB3 LYS 8 HB3 LYS 8 0.617 -3.850 3.781
64 HG2 LYS 8 HG2 LYS 8 -0.640 -2.256 2.379
65 HG3 LYS 8 HG3 LYS 8 -2.067 -3.308 2.460
66 HD2 LYS 8 HD2 LYS 8 -2.434 -1.577 4.036
67 HD3 LYS 8 HD3 LYS 8 -1.975 -2.991 5.009
68 HE2 LYS 8 HE2 LYS 8 0.380 -2.133 5.092
69 HE3 LYS 8 HE3 LYS 8 -0.105 -0.734 4.127
70 HZ1 LYS 8 HZ1 LYS 8 -0.062 -0.203 6.488
71 HZ2 LYS 8 HZ2 LYS 8 -1.596 -0.088 5.951
72 HZ3 LYS 8 HZ3 LYS 8 -1.129 -1.382 6.842
73 H ARG 9 H ARG 9 2.372 -3.677 1.555
74 HA ARG 9 HA ARG 9 4.100 -5.936 2.461
75 HB2 ARG 9 HB2 ARG 9 4.462 -4.352 -0.114
76 HB3 ARG 9 HB3 ARG 9 5.671 -5.453 0.550
77 HG2 ARG 9 HG2 ARG 9 2.933 -6.227 -0.399
78 HG3 ARG 9 HG3 ARG 9 4.440 -6.443 -1.310
79 HD2 ARG 9 HD2 ARG 9 5.310 -7.962 0.397
80 HD3 ARG 9 HD3 ARG 9 3.849 -7.770 1.377
81 HE ARG 9 HE ARG 9 4.126 -9.250 -1.184
82 HH11 ARG 9 HH11 ARG 9 2.781 -10.964 -1.476
83 HH12 ARG 9 HH12 ARG 9 1.381 -11.167 -0.461
84 HH21 ARG 9 HH21 ARG 9 1.906 -8.335 1.401
85 HH22 ARG 9 HH22 ARG 9 0.941 -9.769 1.158
86 H MET 10 H MET 10 6.350 -5.275 2.570
87 HA MET 10 HA MET 10 6.947 -2.484 3.144
88 HB2 MET 10 HB2 MET 10 5.807 -3.243 5.251
89 HB3 MET 10 HB3 MET 10 7.089 -4.455 5.456
90 HG2 MET 10 HG2 MET 10 8.747 -2.521 5.443
91 HG3 MET 10 HG3 MET 10 7.359 -1.424 5.506
92 HE1 MET 10 HE1 MET 10 5.878 -1.032 7.691
93 HE2 MET 10 HE2 MET 10 5.321 -2.712 7.501
94 HE3 MET 10 HE3 MET 10 5.892 -2.135 9.079
95 H PHE 11 H PHE 11 9.019 -2.023 2.820
96 HA PHE 11 HA PHE 11 10.987 -4.006 2.065
97 HB2 PHE 11 HB2 PHE 11 11.036 -1.011 2.374
98 HB3 PHE 11 HB3 PHE 11 12.498 -1.934 2.025
99 HD1 PHE 11 HD1 PHE 11 12.563 -3.446 -0.048
100 HD2 PHE 11 HD2 PHE 11 9.597 -0.377 0.577
101 HE1 PHE 11 HE1 PHE 11 12.091 -3.400 -2.488
102 HE2 PHE 11 HE2 PHE 11 9.138 -0.325 -1.863
103 HZ PHE 11 HZ PHE 11 10.381 -1.837 -3.397
104 H ALA 12 H ALA 12 13.137 -4.266 2.947
105 HA ALA 12 HA ALA 12 13.202 -4.844 5.729
106 HB1 ALA 12 HB1 ALA 12 15.485 -4.406 3.751
107 HB2 ALA 12 HB2 ALA 12 15.602 -5.241 5.315
108 HB3 ALA 12 HB3 ALA 12 14.609 -5.933 4.019
109 H ASN 13 H ASN 13 13.784 -1.814 4.101
110 HA ASN 13 HA ASN 13 15.167 -0.542 6.354
111 HB2 ASN 13 HB2 ASN 13 15.204 1.424 4.942
112 HB3 ASN 13 HB3 ASN 13 15.710 0.005 4.012
113 HD21 ASN 13 HD21 ASN 13 15.263 1.510 2.213
114 H GLY 14 H GLY 14 11.939 -1.374 5.955
115 HA2 GLY 14 HA2 GLY 14 10.219 -0.886 7.452
116 HA3 GLY 14 HA3 GLY 14 11.044 0.589 7.981
117 H THR 15 H THR 15 10.705 0.278 4.518
118 HA THR 15 HA THR 15 8.676 2.449 4.457
119 HB THR 15 HB THR 15 10.367 1.145 2.296
120 HG1 THR 15 HG1 THR 15 11.584 2.259 3.662
121 HG21 THR 15 HG21 THR 15 9.832 3.068 0.897
122 HG22 THR 15 HG22 THR 15 8.397 2.113 1.253
123 HG23 THR 15 HG23 THR 15 8.667 3.650 2.120
124 H VAL 16 H VAL 16 6.577 2.132 3.852
125 HA VAL 16 HA VAL 16 5.652 -0.639 3.354
126 HB VAL 16 HB VAL 16 4.260 1.954 4.117
127 HG11 VAL 16 HG11 VAL 16 2.991 -0.790 3.748
128 HG12 VAL 16 HG12 VAL 16 2.222 0.614 4.520
129 HG13 VAL 16 HG13 VAL 16 2.632 0.680 2.809
130 HG21 VAL 16 HG21 VAL 16 3.856 0.779 6.249
131 HG22 VAL 16 HG22 VAL 16 4.706 -0.654 5.631
132 HG23 VAL 16 HG23 VAL 16 5.587 0.865 5.913
133 H TYR 17 H TYR 17 4.444 -1.275 1.608
134 HA TYR 17 HA TYR 17 3.629 0.594 -0.492
135 HB2 TYR 17 HB2 TYR 17 4.826 -0.448 -2.302
136 HB3 TYR 17 HB3 TYR 17 5.972 0.142 -1.110
137 HD1 TYR 17 HD1 TYR 17 7.219 -1.475 0.361
138 HD2 TYR 17 HD2 TYR 17 4.714 -2.805 -2.901
139 HE1 TYR 17 HE1 TYR 17 8.484 -3.615 0.246
140 HE2 TYR 17 HE2 TYR 17 5.992 -4.928 -3.018
141 HH TYR 17 HH TYR 17 8.773 -5.582 -0.865
142 H TYR 18 H TYR 18 2.768 -0.899 -2.414
143 HA TYR 18 HA TYR 18 1.021 -3.004 -1.243
144 HB2 TYR 18 HB2 TYR 18 0.320 -0.799 -3.202
145 HB3 TYR 18 HB3 TYR 18 -0.722 -2.168 -2.795
146 HD1 TYR 18 HD1 TYR 18 0.788 0.959 -1.504
147 HD2 TYR 18 HD2 TYR 18 -1.859 -2.344 -0.669
148 HE1 TYR 18 HE1 TYR 18 -0.041 2.141 0.521
149 HE2 TYR 18 HE2 TYR 18 -2.735 -1.137 1.303
150 HH TYR 18 HH TYR 18 -2.514 0.693 2.668
151 H PHE 19 H PHE 19 0.539 -4.788 -2.384
152 HA PHE 19 HA PHE 19 1.784 -5.178 -5.048
153 HB2 PHE 19 HB2 PHE 19 3.422 -5.991 -3.574
154 HB3 PHE 19 HB3 PHE 19 2.205 -6.806 -2.575
155 HD1 PHE 19 HD1 PHE 19 3.932 -6.930 -5.864
156 HD2 PHE 19 HD2 PHE 19 1.494 -9.058 -3.011
157 HE1 PHE 19 HE1 PHE 19 4.345 -9.043 -7.089
158 HE2 PHE 19 HE2 PHE 19 1.983 -11.184 -4.190
159 HZ PHE 19 HZ PHE 19 3.386 -11.183 -6.245
160 H ASN 20 H ASN 20 0.643 -6.224 -6.537
161 HA ASN 20 HA ASN 20 -2.010 -7.297 -5.743
162 HB2 ASN 20 HB2 ASN 20 -1.826 -5.599 -7.550
163 HB3 ASN 20 HB3 ASN 20 -0.873 -6.751 -8.505
164 HD21 ASN 20 HD21 ASN 20 -4.667 -6.891 -9.177
165 HD22 ASN 20 HD22 ASN 20 -3.643 -5.486 -8.867
166 H HIS 21 H HIS 21 -1.877 -9.394 -5.072
167 HA HIS 21 HA HIS 21 0.333 -11.089 -5.892
168 HB2 HIS 21 HB2 HIS 21 -0.289 -12.494 -4.234
169 HB3 HIS 21 HB3 HIS 21 -1.066 -11.027 -3.641
170 HD2 HIS 21 HD2 HIS 21 -3.820 -10.867 -4.170
171 HE1 HIS 21 HE1 HIS 21 -4.397 -15.050 -4.690
172 HE2 HIS 21 HE2 HIS 21 -5.571 -12.832 -4.296
173 H ILE 22 H ILE 22 -2.751 -10.532 -7.306
174 HA ILE 22 HA ILE 22 -2.963 -13.107 -8.637
175 HB ILE 22 HB ILE 22 -4.500 -10.507 -9.051
176 HG12 ILE 22 HG12 ILE 22 -5.012 -12.987 -7.334
177 HG13 ILE 22 HG13 ILE 22 -4.738 -11.327 -6.771
178 HG21 ILE 22 HG21 ILE 22 -5.139 -13.343 -9.968
179 HG22 ILE 22 HG22 ILE 22 -6.186 -11.917 -10.166
180 HG23 ILE 22 HG23 ILE 22 -4.656 -11.990 -11.018
181 HD11 ILE 22 HD11 ILE 22 -6.900 -10.651 -7.827
182 HD12 ILE 22 HD12 ILE 22 -7.218 -12.379 -8.147
183 HD13 ILE 22 HD13 ILE 22 -7.022 -11.806 -6.482
184 H THR 23 H THR 23 -1.954 -9.817 -9.479
185 HA THR 23 HA THR 23 -1.196 -10.635 -12.233
186 HB THR 23 HB THR 23 -1.488 -8.420 -12.928
187 HG1 THR 23 HG1 THR 23 -2.256 -7.042 -10.960
188 HG21 THR 23 HG21 THR 23 -3.654 -9.597 -12.448
189 HG22 THR 23 HG22 THR 23 -3.696 -8.803 -10.859
190 HG23 THR 23 HG23 THR 23 -3.749 -7.829 -12.344
191 H ASN 24 H ASN 24 0.374 -10.012 -9.352
192 HA ASN 24 HA ASN 24 2.425 -9.616 -8.666
193 HB2 ASN 24 HB2 ASN 24 3.364 -10.297 -11.470
194 HB3 ASN 24 HB3 ASN 24 4.389 -10.157 -10.037
195 HD21 ASN 24 HD21 ASN 24 2.835 -12.404 -11.928
196 HD22 ASN 24 HD22 ASN 24 2.724 -13.685 -10.717
197 H ALA 25 H ALA 25 0.805 -7.385 -10.192
198 HA ALA 25 HA ALA 25 2.814 -5.360 -10.714
199 HB1 ALA 25 HB1 ALA 25 0.512 -5.279 -11.627
200 HB2 ALA 25 HB2 ALA 25 -0.131 -5.071 -9.982
201 HB3 ALA 25 HB3 ALA 25 0.907 -3.822 -10.696
202 H SER 26 H SER 26 3.172 -3.405 -9.397
203 HA SER 26 HA SER 26 2.431 -3.453 -6.582
204 HB2 SER 26 HB2 SER 26 4.722 -3.225 -5.698
205 HB3 SER 26 HB3 SER 26 4.403 -4.819 -6.378
206 HG SER 26 HG SER 26 5.545 -4.237 -8.223
207 H GLN 27 H GLN 27 2.708 -1.509 -5.467
208 HA GLN 27 HA GLN 27 3.771 0.859 -6.812
209 HB2 GLN 27 HB2 GLN 27 1.712 2.068 -7.024
210 HB3 GLN 27 HB3 GLN 27 1.541 0.538 -7.885
211 HG2 GLN 27 HG2 GLN 27 0.251 -0.378 -5.934
212 HG3 GLN 27 HG3 GLN 27 0.385 1.189 -5.148
213 HE21 GLN 27 HE21 GLN 27 -1.629 2.118 -5.243
214 HE22 GLN 27 HE22 GLN 27 -2.626 2.181 -6.711
215 H PHE 28 H PHE 28 3.908 2.708 -5.424
216 HA PHE 28 HA PHE 28 3.862 2.097 -2.560
217 HB2 PHE 28 HB2 PHE 28 5.781 3.190 -3.125
218 HB3 PHE 28 HB3 PHE 28 4.961 4.322 -4.207
219 HD1 PHE 28 HD1 PHE 28 3.836 6.328 -3.395
220 HD2 PHE 28 HD2 PHE 28 5.828 3.630 -0.680
221 HE1 PHE 28 HE1 PHE 28 3.726 8.046 -1.609
222 HE2 PHE 28 HE2 PHE 28 5.730 5.357 1.102
223 HZ PHE 28 HZ PHE 28 4.677 7.566 0.644
224 H GLU 29 H GLU 29 1.890 4.152 -4.625
225 HA GLU 29 HA GLU 29 0.504 5.420 -2.435
226 HB2 GLU 29 HB2 GLU 29 0.754 6.472 -4.592
227 HB3 GLU 29 HB3 GLU 29 -0.165 5.178 -5.388
228 HG2 GLU 29 HG2 GLU 29 -2.193 5.813 -4.168
229 HG3 GLU 29 HG3 GLU 29 -1.291 7.013 -3.233
230 H ARG 30 H ARG 30 -1.355 4.938 -1.406
231 HA ARG 30 HA ARG 30 -2.227 2.282 -1.149
232 HB2 ARG 30 HB2 ARG 30 -2.383 3.668 0.672
233 HB3 ARG 30 HB3 ARG 30 -3.212 4.943 -0.207
234 HG2 ARG 30 HG2 ARG 30 -4.576 3.803 1.487
235 HG3 ARG 30 HG3 ARG 30 -5.289 3.855 -0.135
236 HD2 ARG 30 HD2 ARG 30 -3.941 1.360 0.051
237 HD3 ARG 30 HD3 ARG 30 -4.678 1.588 1.621
238 HE ARG 30 HE ARG 30 -6.103 1.555 -1.027
239 HH11 ARG 30 HH11 ARG 30 -6.455 1.187 2.466
240 HH12 ARG 30 HH12 ARG 30 -8.127 0.710 2.268
241 HH21 ARG 30 HH21 ARG 30 -8.148 1.062 -1.128
242 HH22 ARG 30 HH22 ARG 30 -9.028 0.534 0.312
243 HA PRO 31 HA PRO 31 -4.592 1.873 -4.902
244 HB2 PRO 31 HB2 PRO 31 -5.600 -0.594 -3.473
245 HB3 PRO 31 HB3 PRO 31 -5.055 -0.422 -5.173
246 HG2 PRO 31 HG2 PRO 31 -3.425 -1.475 -3.253
247 HG3 PRO 31 HG3 PRO 31 -2.766 -0.333 -4.481
248 HD2 PRO 31 HD2 PRO 31 -3.566 0.152 -1.623
249 HD3 PRO 31 HD3 PRO 31 -2.166 0.778 -2.550
250 H SER 32 H SER 32 -6.399 2.961 -5.427
251 HA SER 32 HA SER 32 -8.569 3.401 -3.507
252 HB2 SER 32 HB2 SER 32 -8.141 4.363 -6.360
253 HB3 SER 32 HB3 SER 32 -9.475 4.866 -5.305
254 HG SER 32 HG SER 32 -7.713 6.326 -5.236
255 H GLY 33 H GLY 33 -8.082 1.204 -6.164
256 HA2 GLY 33 HA2 GLY 33 -10.500 -0.267 -5.832
257 HA3 GLY 33 HA3 GLY 33 -10.711 0.868 -7.165
258 H1B XYP 101 H1 XYP 34 12.354 1.716 1.558
259 H2B XYP 101 H2 XYP 34 14.692 3.472 0.649
260 H3B XYP 101 H3 XYP 34 11.736 3.750 -0.061
261 H4B XYP 101 H4 XYP 34 14.000 2.782 -1.873
262 H5B1 XYP 101 H5E XYP 34 12.853 0.575 -1.823
263 H5B2 XYP 101 H5A XYP 34 11.668 1.205 -0.666
264 HO2B XYP 101 H2O XYP 34 12.424 3.862 2.359
265 HO3B XYP 101 H3O XYP 34 13.114 5.666 -0.061
266 HO4B XYP 101 H4O XYP 34 12.179 4.006 -2.749
Start of MODEL 19
1 H1 LYS 1 H1 LYS 1 -11.565 -3.643 3.109
2 H2 LYS 1 H2 LYS 1 -12.454 -2.376 2.567
3 H3 LYS 1 H3 LYS 1 -12.296 -2.638 4.171
4 HA LYS 1 HA LYS 1 -10.944 -0.789 3.507
5 HB2 LYS 1 HB2 LYS 1 -10.173 -2.105 5.419
6 HB3 LYS 1 HB3 LYS 1 -9.340 -3.233 4.349
7 HG2 LYS 1 HG2 LYS 1 -7.900 -1.269 3.549
8 HG3 LYS 1 HG3 LYS 1 -8.674 -0.292 4.809
9 HD2 LYS 1 HD2 LYS 1 -7.765 -1.832 6.537
10 HD3 LYS 1 HD3 LYS 1 -7.127 -2.889 5.269
11 HE2 LYS 1 HE2 LYS 1 -5.286 -1.604 6.054
12 HE3 LYS 1 HE3 LYS 1 -5.693 -1.011 4.438
13 HZ1 LYS 1 HZ1 LYS 1 -6.489 0.276 7.006
14 HZ2 LYS 1 HZ2 LYS 1 -5.320 0.820 6.010
15 HZ3 LYS 1 HZ3 LYS 1 -6.879 0.850 5.527
16 H LEU 2 H LEU 2 -9.145 -3.618 2.211
17 HA LEU 2 HA LEU 2 -7.998 -1.867 0.171
18 HB2 LEU 2 HB2 LEU 2 -6.732 -3.250 1.870
19 HB3 LEU 2 HB3 LEU 2 -7.263 -4.693 0.991
20 HG LEU 2 HG LEU 2 -6.012 -3.812 -1.017
21 HD11 LEU 2 HD11 LEU 2 -5.929 -1.398 -0.446
22 HD12 LEU 2 HD12 LEU 2 -4.999 -1.765 1.026
23 HD13 LEU 2 HD13 LEU 2 -4.304 -2.049 -0.593
24 HD21 LEU 2 HD21 LEU 2 -5.020 -5.447 0.542
25 HD22 LEU 2 HD22 LEU 2 -3.787 -4.340 -0.098
26 HD23 LEU 2 HD23 LEU 2 -4.409 -4.124 1.556
27 HA PRO 3 HA PRO 3 -10.461 -3.625 -3.049
28 HB2 PRO 3 HB2 PRO 3 -8.265 -3.285 -5.030
29 HB3 PRO 3 HB3 PRO 3 -9.899 -2.566 -5.011
30 HG2 PRO 3 HG2 PRO 3 -7.654 -1.115 -4.420
31 HG3 PRO 3 HG3 PRO 3 -9.216 -0.825 -3.584
32 HD2 PRO 3 HD2 PRO 3 -6.833 -2.418 -2.601
33 HD3 PRO 3 HD3 PRO 3 -7.851 -1.223 -1.752
34 HA PRO 4 HA PRO 4 -9.562 -7.907 -3.827
35 HB2 PRO 4 HB2 PRO 4 -10.343 -7.443 -6.710
36 HB3 PRO 4 HB3 PRO 4 -10.863 -8.748 -5.592
37 HG2 PRO 4 HG2 PRO 4 -12.502 -6.651 -6.067
38 HG3 PRO 4 HG3 PRO 4 -12.283 -7.240 -4.385
39 HD2 PRO 4 HD2 PRO 4 -10.947 -4.877 -5.737
40 HD3 PRO 4 HD3 PRO 4 -11.705 -4.980 -4.116
41 H GLY 5 H GLY 5 -7.861 -9.174 -4.369
42 HA2 GLY 5 HA2 GLY 5 -5.936 -9.951 -5.365
43 HA3 GLY 5 HA3 GLY 5 -6.043 -8.670 -6.586
44 H TRP 6 H TRP 6 -6.072 -6.593 -4.250
45 HA TRP 6 HA TRP 6 -3.168 -6.326 -4.078
46 HB2 TRP 6 HB2 TRP 6 -5.414 -4.579 -3.088
47 HB3 TRP 6 HB3 TRP 6 -3.714 -4.227 -2.820
48 HD1 TRP 6 HD1 TRP 6 -6.366 -4.208 -5.483
49 HE1 TRP 6 HE1 TRP 6 -5.526 -3.080 -7.631
50 HE3 TRP 6 HE3 TRP 6 -1.417 -3.842 -4.286
51 HZ2 TRP 6 HZ2 TRP 6 -2.988 -2.267 -8.746
52 HZ3 TRP 6 HZ3 TRP 6 0.214 -2.919 -5.945
53 HH2 TRP 6 HH2 TRP 6 -0.562 -2.153 -8.167
54 H GLU 7 H GLU 7 -1.883 -6.195 -2.299
55 HA GLU 7 HA GLU 7 -2.904 -6.853 0.408
56 HB2 GLU 7 HB2 GLU 7 -2.091 -8.953 -0.865
57 HB3 GLU 7 HB3 GLU 7 -0.494 -8.195 -0.869
58 HG2 GLU 7 HG2 GLU 7 -0.737 -8.072 1.707
59 HG3 GLU 7 HG3 GLU 7 -2.168 -9.080 1.522
60 H LYS 8 H LYS 8 -1.691 -5.820 2.048
61 HA LYS 8 HA LYS 8 0.224 -3.742 1.283
62 HB2 LYS 8 HB2 LYS 8 -0.852 -4.722 3.939
63 HB3 LYS 8 HB3 LYS 8 0.545 -3.632 3.853
64 HG2 LYS 8 HG2 LYS 8 -0.711 -2.023 2.514
65 HG3 LYS 8 HG3 LYS 8 -2.122 -3.099 2.507
66 HD2 LYS 8 HD2 LYS 8 -2.582 -1.432 4.131
67 HD3 LYS 8 HD3 LYS 8 -2.134 -2.873 5.066
68 HE2 LYS 8 HE2 LYS 8 0.218 -1.972 5.225
69 HE3 LYS 8 HE3 LYS 8 -0.307 -0.528 4.346
70 HZ1 LYS 8 HZ1 LYS 8 -1.363 -1.398 6.988
71 HZ2 LYS 8 HZ2 LYS 8 -0.305 -0.179 6.755
72 HZ3 LYS 8 HZ3 LYS 8 -1.829 -0.047 6.188
73 H ARG 9 H ARG 9 2.319 -3.617 1.623
74 HA ARG 9 HA ARG 9 3.942 -5.913 2.618
75 HB2 ARG 9 HB2 ARG 9 4.362 -4.495 -0.042
76 HB3 ARG 9 HB3 ARG 9 5.516 -5.621 0.671
77 HG2 ARG 9 HG2 ARG 9 2.748 -6.284 -0.273
78 HG3 ARG 9 HG3 ARG 9 4.255 -6.651 -1.126
79 HD2 ARG 9 HD2 ARG 9 4.977 -8.142 0.694
80 HD3 ARG 9 HD3 ARG 9 3.507 -7.773 1.608
81 HE ARG 9 HE ARG 9 2.209 -9.109 0.207
82 HH11 ARG 9 HH11 ARG 9 5.489 -9.157 -1.075
83 HH12 ARG 9 HH12 ARG 9 5.186 -10.658 -1.912
84 HH21 ARG 9 HH21 ARG 9 1.925 -10.887 -0.795
85 HH22 ARG 9 HH22 ARG 9 3.193 -11.647 -1.765
86 H MET 10 H MET 10 6.258 -5.297 2.598
87 HA MET 10 HA MET 10 6.886 -2.499 3.144
88 HB2 MET 10 HB2 MET 10 5.774 -3.249 5.267
89 HB3 MET 10 HB3 MET 10 7.057 -4.462 5.460
90 HG2 MET 10 HG2 MET 10 8.720 -2.537 5.422
91 HG3 MET 10 HG3 MET 10 7.339 -1.431 5.486
92 HE1 MET 10 HE1 MET 10 5.899 -2.087 9.076
93 HE2 MET 10 HE2 MET 10 5.885 -1.000 7.674
94 HE3 MET 10 HE3 MET 10 5.309 -2.677 7.509
95 H PHE 11 H PHE 11 8.940 -2.034 2.793
96 HA PHE 11 HA PHE 11 10.911 -3.995 2.000
97 HB2 PHE 11 HB2 PHE 11 10.941 -1.002 2.333
98 HB3 PHE 11 HB3 PHE 11 12.403 -1.911 1.945
99 HD1 PHE 11 HD1 PHE 11 9.422 -0.401 0.580
100 HD2 PHE 11 HD2 PHE 11 12.481 -3.350 -0.157
101 HE1 PHE 11 HE1 PHE 11 8.917 -0.319 -1.849
102 HE2 PHE 11 HE2 PHE 11 11.967 -3.271 -2.586
103 HZ PHE 11 HZ PHE 11 10.187 -1.753 -3.436
104 H ALA 12 H ALA 12 13.076 -4.244 2.848
105 HA ALA 12 HA ALA 12 13.196 -4.821 5.629
106 HB1 ALA 12 HB1 ALA 12 14.582 -5.899 3.894
107 HB2 ALA 12 HB2 ALA 12 15.440 -4.363 3.611
108 HB3 ALA 12 HB3 ALA 12 15.592 -5.198 5.173
109 H ASN 13 H ASN 13 13.730 -1.785 3.989
110 HA ASN 13 HA ASN 13 15.142 -0.506 6.220
111 HB2 ASN 13 HB2 ASN 13 15.149 1.459 4.803
112 HB3 ASN 13 HB3 ASN 13 15.652 0.041 3.874
113 HD21 ASN 13 HD21 ASN 13 15.174 1.512 2.063
114 H GLY 14 H GLY 14 11.910 -1.347 5.871
115 HA2 GLY 14 HA2 GLY 14 10.205 -0.853 7.381
116 HA3 GLY 14 HA3 GLY 14 11.039 0.618 7.904
117 H THR 15 H THR 15 10.651 0.293 4.443
118 HA THR 15 HA THR 15 8.624 2.468 4.398
119 HB THR 15 HB THR 15 10.282 1.139 2.225
120 HG1 THR 15 HG1 THR 15 11.514 2.282 3.552
121 HG21 THR 15 HG21 THR 15 8.292 2.078 1.193
122 HG22 THR 15 HG22 THR 15 8.568 3.631 2.028
123 HG23 THR 15 HG23 THR 15 9.718 3.032 0.800
124 H VAL 16 H VAL 16 6.514 2.145 3.824
125 HA VAL 16 HA VAL 16 5.586 -0.634 3.363
126 HB VAL 16 HB VAL 16 4.203 1.963 4.126
127 HG11 VAL 16 HG11 VAL 16 2.161 0.627 4.543
128 HG12 VAL 16 HG12 VAL 16 2.561 0.696 2.829
129 HG13 VAL 16 HG13 VAL 16 2.922 -0.776 3.763
130 HG21 VAL 16 HG21 VAL 16 3.806 0.790 6.261
131 HG22 VAL 16 HG22 VAL 16 4.646 -0.646 5.639
132 HG23 VAL 16 HG23 VAL 16 5.536 0.868 5.913
133 H TYR 17 H TYR 17 4.365 -1.279 1.633
134 HA TYR 17 HA TYR 17 3.572 0.573 -0.499
135 HB2 TYR 17 HB2 TYR 17 4.767 -0.527 -2.278
136 HB3 TYR 17 HB3 TYR 17 5.915 0.061 -1.087
137 HD1 TYR 17 HD1 TYR 17 4.575 -2.902 -2.802
138 HD2 TYR 17 HD2 TYR 17 7.139 -1.545 0.399
139 HE1 TYR 17 HE1 TYR 17 5.815 -5.043 -2.897
140 HE2 TYR 17 HE2 TYR 17 8.368 -3.717 0.310
141 HH TYR 17 HH TYR 17 7.592 -6.237 -2.090
142 H TYR 18 H TYR 18 2.688 -0.944 -2.393
143 HA TYR 18 HA TYR 18 0.930 -3.027 -1.192
144 HB2 TYR 18 HB2 TYR 18 0.229 -0.859 -3.196
145 HB3 TYR 18 HB3 TYR 18 -0.830 -2.188 -2.706
146 HD1 TYR 18 HD1 TYR 18 -1.930 -2.229 -0.548
147 HD2 TYR 18 HD2 TYR 18 0.790 0.953 -1.584
148 HE1 TYR 18 HE1 TYR 18 -2.743 -0.897 1.384
149 HE2 TYR 18 HE2 TYR 18 0.045 2.242 0.417
150 HH TYR 18 HH TYR 18 -2.420 0.965 2.671
151 H PHE 19 H PHE 19 0.529 -4.839 -2.314
152 HA PHE 19 HA PHE 19 1.747 -5.191 -4.996
153 HB2 PHE 19 HB2 PHE 19 3.394 -6.042 -3.587
154 HB3 PHE 19 HB3 PHE 19 2.201 -6.838 -2.549
155 HD1 PHE 19 HD1 PHE 19 3.884 -7.022 -5.850
156 HD2 PHE 19 HD2 PHE 19 1.384 -9.071 -2.987
157 HE1 PHE 19 HE1 PHE 19 4.243 -9.151 -7.062
158 HE2 PHE 19 HE2 PHE 19 1.798 -11.205 -4.168
159 HZ PHE 19 HZ PHE 19 3.210 -11.256 -6.218
160 H ASN 20 H ASN 20 0.636 -6.212 -6.514
161 HA ASN 20 HA ASN 20 -2.042 -7.280 -5.790
162 HB2 ASN 20 HB2 ASN 20 -1.799 -5.548 -7.563
163 HB3 ASN 20 HB3 ASN 20 -0.840 -6.693 -8.520
164 HD21 ASN 20 HD21 ASN 20 -4.618 -6.768 -9.276
165 HD22 ASN 20 HD22 ASN 20 -3.576 -5.387 -8.925
166 H HIS 21 H HIS 21 -1.987 -9.390 -5.205
167 HA HIS 21 HA HIS 21 0.222 -11.113 -5.952
168 HB2 HIS 21 HB2 HIS 21 -0.482 -12.454 -4.298
169 HB3 HIS 21 HB3 HIS 21 -1.395 -11.037 -3.801
170 HD2 HIS 21 HD2 HIS 21 -4.076 -11.044 -4.330
171 HE1 HIS 21 HE1 HIS 21 -4.437 -15.169 -5.288
172 HE2 HIS 21 HE2 HIS 21 -5.724 -13.062 -4.707
173 H ILE 22 H ILE 22 -2.824 -10.482 -7.466
174 HA ILE 22 HA ILE 22 -3.006 -13.018 -8.871
175 HB ILE 22 HB ILE 22 -4.510 -10.393 -9.250
176 HG12 ILE 22 HG12 ILE 22 -5.089 -12.933 -7.650
177 HG13 ILE 22 HG13 ILE 22 -4.837 -11.295 -7.015
178 HG21 ILE 22 HG21 ILE 22 -5.144 -13.185 -10.299
179 HG22 ILE 22 HG22 ILE 22 -6.170 -11.740 -10.478
180 HG23 ILE 22 HG23 ILE 22 -4.616 -11.799 -11.281
181 HD11 ILE 22 HD11 ILE 22 -7.262 -12.289 -8.532
182 HD12 ILE 22 HD12 ILE 22 -7.138 -11.819 -6.833
183 HD13 ILE 22 HD13 ILE 22 -6.967 -10.580 -8.100
184 H THR 23 H THR 23 -1.956 -9.718 -9.609
185 HA THR 23 HA THR 23 -1.134 -10.467 -12.363
186 HB THR 23 HB THR 23 -1.396 -8.229 -12.999
187 HG1 THR 23 HG1 THR 23 -2.190 -6.901 -11.010
188 HG21 THR 23 HG21 THR 23 -3.659 -7.631 -12.443
189 HG22 THR 23 HG22 THR 23 -3.583 -9.396 -12.592
190 HG23 THR 23 HG23 THR 23 -3.645 -8.643 -10.983
191 H ASN 24 H ASN 24 0.377 -10.087 -9.471
192 HA ASN 24 HA ASN 24 2.321 -9.602 -8.640
193 HB2 ASN 24 HB2 ASN 24 4.369 -10.288 -9.692
194 HB3 ASN 24 HB3 ASN 24 3.084 -11.480 -9.893
195 HD21 ASN 24 HD21 ASN 24 2.876 -12.327 -11.926
196 HD22 ASN 24 HD22 ASN 24 3.538 -11.567 -13.377
197 H ALA 25 H ALA 25 0.901 -7.360 -10.247
198 HA ALA 25 HA ALA 25 2.971 -5.381 -10.654
199 HB1 ALA 25 HB1 ALA 25 0.711 -5.244 -11.662
200 HB2 ALA 25 HB2 ALA 25 0.004 -5.038 -10.042
201 HB3 ALA 25 HB3 ALA 25 1.095 -3.803 -10.701
202 H SER 26 H SER 26 3.329 -3.452 -9.315
203 HA SER 26 HA SER 26 2.459 -3.487 -6.536
204 HB2 SER 26 HB2 SER 26 4.699 -3.338 -5.542
205 HB3 SER 26 HB3 SER 26 4.399 -4.909 -6.286
206 HG SER 26 HG SER 26 5.644 -4.292 -8.046
207 H GLN 27 H GLN 27 2.729 -1.547 -5.411
208 HA GLN 27 HA GLN 27 3.865 0.801 -6.743
209 HB2 GLN 27 HB2 GLN 27 1.808 2.032 -6.965
210 HB3 GLN 27 HB3 GLN 27 1.668 0.519 -7.863
211 HG2 GLN 27 HG2 GLN 27 0.318 -0.448 -6.002
212 HG3 GLN 27 HG3 GLN 27 0.448 1.074 -5.132
213 HE21 GLN 27 HE21 GLN 27 -1.459 2.181 -5.275
214 HE22 GLN 27 HE22 GLN 27 -2.453 2.277 -6.743
215 H PHE 28 H PHE 28 4.083 2.616 -5.368
216 HA PHE 28 HA PHE 28 4.032 2.020 -2.517
217 HB2 PHE 28 HB2 PHE 28 5.956 3.077 -3.135
218 HB3 PHE 28 HB3 PHE 28 5.124 4.247 -4.165
219 HD1 PHE 28 HD1 PHE 28 6.099 3.462 -0.691
220 HD2 PHE 28 HD2 PHE 28 4.072 6.263 -3.273
221 HE1 PHE 28 HE1 PHE 28 6.117 5.155 1.127
222 HE2 PHE 28 HE2 PHE 28 4.082 7.949 -1.452
223 HZ PHE 28 HZ PHE 28 5.109 7.400 0.752
224 H GLU 29 H GLU 29 2.081 4.136 -4.541
225 HA GLU 29 HA GLU 29 0.687 5.357 -2.311
226 HB2 GLU 29 HB2 GLU 29 1.025 6.510 -4.410
227 HB3 GLU 29 HB3 GLU 29 0.092 5.284 -5.290
228 HG2 GLU 29 HG2 GLU 29 -1.949 5.916 -4.096
229 HG3 GLU 29 HG3 GLU 29 -1.042 7.035 -3.072
230 H ARG 30 H ARG 30 -1.284 4.924 -1.434
231 HA ARG 30 HA ARG 30 -2.194 2.264 -1.294
232 HB2 ARG 30 HB2 ARG 30 -2.432 3.665 0.559
233 HB3 ARG 30 HB3 ARG 30 -3.231 4.927 -0.362
234 HG2 ARG 30 HG2 ARG 30 -4.696 3.803 1.235
235 HG3 ARG 30 HG3 ARG 30 -5.289 3.768 -0.435
236 HD2 ARG 30 HD2 ARG 30 -3.924 1.332 -0.127
237 HD3 ARG 30 HD3 ARG 30 -4.653 1.576 1.445
238 HE ARG 30 HE ARG 30 -6.039 1.307 -1.191
239 HH11 ARG 30 HH11 ARG 30 -9.043 0.571 0.157
240 HH12 ARG 30 HH12 ARG 30 -8.101 0.885 -1.302
241 HH21 ARG 30 HH21 ARG 30 -6.535 1.548 2.286
242 HH22 ARG 30 HH22 ARG 30 -8.220 1.111 2.111
243 HA PRO 31 HA PRO 31 -4.580 2.190 -5.117
244 HB2 PRO 31 HB2 PRO 31 -5.488 -0.416 -5.001
245 HB3 PRO 31 HB3 PRO 31 -3.830 0.055 -5.480
246 HG2 PRO 31 HG2 PRO 31 -4.774 -0.822 -2.720
247 HG3 PRO 31 HG3 PRO 31 -3.363 -1.417 -3.659
248 HD2 PRO 31 HD2 PRO 31 -3.075 0.439 -1.769
249 HD3 PRO 31 HD3 PRO 31 -2.176 0.598 -3.306
250 H SER 32 H SER 32 -6.515 3.106 -5.380
251 HA SER 32 HA SER 32 -8.551 3.051 -3.279
252 HB2 SER 32 HB2 SER 32 -9.649 4.748 -4.689
253 HB3 SER 32 HB3 SER 32 -7.960 5.144 -4.337
254 HG SER 32 HG SER 32 -8.496 5.458 -6.547
255 H GLY 33 H GLY 33 -8.056 1.253 -6.187
256 HA2 GLY 33 HA2 GLY 33 -10.350 -0.418 -5.905
257 HA3 GLY 33 HA3 GLY 33 -10.686 0.803 -7.130
258 H1B XYP 101 H1 XYP 34 12.256 1.702 1.447
259 H2B XYP 101 H2 XYP 34 14.577 3.444 0.470
260 H3B XYP 101 H3 XYP 34 11.612 3.701 -0.209
261 H4B XYP 101 H4 XYP 34 13.857 2.697 -2.027
262 H5B1 XYP 101 H5E XYP 34 12.707 0.492 -1.918
263 H5B2 XYP 101 H5A XYP 34 11.540 1.149 -0.757
264 HO2B XYP 101 H2O XYP 34 12.329 3.862 2.201
265 HO3B XYP 101 H3O XYP 34 12.986 5.619 -0.267
266 HO4B XYP 101 H4O XYP 34 12.026 3.903 -2.909
Start of MODEL 20
1 H1 LYS 1 H1 LYS 1 -11.342 -3.660 3.286
2 H2 LYS 1 H2 LYS 1 -12.471 -2.919 2.356
3 H3 LYS 1 H3 LYS 1 -12.457 -2.682 3.971
4 HA LYS 1 HA LYS 1 -11.623 -0.761 2.866
5 HB2 LYS 1 HB2 LYS 1 -9.445 -0.493 3.981
6 HB3 LYS 1 HB3 LYS 1 -10.752 -0.995 5.036
7 HG2 LYS 1 HG2 LYS 1 -9.911 -3.250 5.204
8 HG3 LYS 1 HG3 LYS 1 -8.683 -2.975 3.966
9 HD2 LYS 1 HD2 LYS 1 -8.762 -1.502 6.621
10 HD3 LYS 1 HD3 LYS 1 -7.819 -2.965 6.301
11 HE2 LYS 1 HE2 LYS 1 -6.598 -1.789 4.465
12 HE3 LYS 1 HE3 LYS 1 -7.506 -0.313 4.821
13 HZ1 LYS 1 HZ1 LYS 1 -5.697 -1.688 6.730
14 HZ2 LYS 1 HZ2 LYS 1 -5.364 -0.295 5.941
15 HZ3 LYS 1 HZ3 LYS 1 -6.551 -0.335 7.061
16 H LEU 2 H LEU 2 -9.274 -3.435 2.180
17 HA LEU 2 HA LEU 2 -8.085 -1.834 0.063
18 HB2 LEU 2 HB2 LEU 2 -6.921 -3.257 1.868
19 HB3 LEU 2 HB3 LEU 2 -7.451 -4.668 0.940
20 HG LEU 2 HG LEU 2 -6.157 -3.702 -1.039
21 HD11 LEU 2 HD11 LEU 2 -4.381 -2.068 -0.495
22 HD12 LEU 2 HD12 LEU 2 -5.966 -1.344 -0.256
23 HD13 LEU 2 HD13 LEU 2 -5.038 -1.887 1.157
24 HD21 LEU 2 HD21 LEU 2 -5.269 -5.501 0.395
25 HD22 LEU 2 HD22 LEU 2 -3.973 -4.413 -0.146
26 HD23 LEU 2 HD23 LEU 2 -4.607 -4.295 1.516
27 HA PRO 3 HA PRO 3 -10.632 -3.653 -3.097
28 HB2 PRO 3 HB2 PRO 3 -9.154 -3.150 -5.392
29 HB3 PRO 3 HB3 PRO 3 -10.112 -1.928 -4.496
30 HG2 PRO 3 HG2 PRO 3 -7.145 -2.502 -4.259
31 HG3 PRO 3 HG3 PRO 3 -7.955 -0.923 -4.430
32 HD2 PRO 3 HD2 PRO 3 -7.157 -1.854 -2.039
33 HD3 PRO 3 HD3 PRO 3 -8.718 -0.990 -2.217
34 HA PRO 4 HA PRO 4 -9.597 -7.815 -3.883
35 HB2 PRO 4 HB2 PRO 4 -10.366 -7.421 -6.781
36 HB3 PRO 4 HB3 PRO 4 -10.852 -8.728 -5.650
37 HG2 PRO 4 HG2 PRO 4 -12.547 -6.682 -6.142
38 HG3 PRO 4 HG3 PRO 4 -12.304 -7.242 -4.452
39 HD2 PRO 4 HD2 PRO 4 -11.047 -4.862 -5.846
40 HD3 PRO 4 HD3 PRO 4 -11.788 -4.969 -4.218
41 H GLY 5 H GLY 5 -7.909 -9.112 -4.383
42 HA2 GLY 5 HA2 GLY 5 -5.994 -9.929 -5.349
43 HA3 GLY 5 HA3 GLY 5 -6.077 -8.666 -6.593
44 H TRP 6 H TRP 6 -6.102 -6.611 -4.186
45 HA TRP 6 HA TRP 6 -3.190 -6.346 -4.052
46 HB2 TRP 6 HB2 TRP 6 -5.419 -4.612 -3.001
47 HB3 TRP 6 HB3 TRP 6 -3.714 -4.265 -2.769
48 HD1 TRP 6 HD1 TRP 6 -6.429 -4.202 -5.363
49 HE1 TRP 6 HE1 TRP 6 -5.657 -2.948 -7.471
50 HE3 TRP 6 HE3 TRP 6 -1.461 -3.841 -4.257
51 HZ2 TRP 6 HZ2 TRP 6 -3.116 -2.186 -8.658
52 HZ3 TRP 6 HZ3 TRP 6 0.141 -2.876 -5.927
53 HH2 TRP 6 HH2 TRP 6 -0.680 -2.075 -8.120
54 H GLU 7 H GLU 7 -1.912 -6.174 -2.253
55 HA GLU 7 HA GLU 7 -2.920 -6.887 0.443
56 HB2 GLU 7 HB2 GLU 7 -2.086 -8.967 -0.801
57 HB3 GLU 7 HB3 GLU 7 -0.534 -8.158 -0.943
58 HG2 GLU 7 HG2 GLU 7 -1.042 -8.013 1.807
59 HG3 GLU 7 HG3 GLU 7 -1.844 -9.502 1.379
60 H LYS 8 H LYS 8 -1.724 -5.815 2.087
61 HA LYS 8 HA LYS 8 0.146 -3.709 1.284
62 HB2 LYS 8 HB2 LYS 8 -0.855 -4.679 3.970
63 HB3 LYS 8 HB3 LYS 8 0.550 -3.601 3.845
64 HG2 LYS 8 HG2 LYS 8 -0.740 -2.004 2.494
65 HG3 LYS 8 HG3 LYS 8 -2.161 -3.063 2.589
66 HD2 LYS 8 HD2 LYS 8 -2.534 -1.357 4.179
67 HD3 LYS 8 HD3 LYS 8 -2.026 -2.759 5.144
68 HE2 LYS 8 HE2 LYS 8 0.326 -1.841 5.149
69 HE3 LYS 8 HE3 LYS 8 -0.247 -0.443 4.229
70 HZ1 LYS 8 HZ1 LYS 8 -1.681 0.124 6.115
71 HZ2 LYS 8 HZ2 LYS 8 -1.171 -1.184 6.957
72 HZ3 LYS 8 HZ3 LYS 8 -0.132 0.026 6.613
73 H ARG 9 H ARG 9 2.256 -3.568 1.577
74 HA ARG 9 HA ARG 9 3.881 -6.034 2.045
75 HB2 ARG 9 HB2 ARG 9 2.980 -5.416 -0.454
76 HB3 ARG 9 HB3 ARG 9 4.357 -4.337 -0.404
77 HG2 ARG 9 HG2 ARG 9 5.036 -6.353 -1.468
78 HG3 ARG 9 HG3 ARG 9 5.802 -6.375 0.136
79 HD2 ARG 9 HD2 ARG 9 4.081 -7.961 0.939
80 HD3 ARG 9 HD3 ARG 9 3.219 -7.824 -0.612
81 HE ARG 9 HE ARG 9 6.016 -8.674 -0.836
82 HH11 ARG 9 HH11 ARG 9 2.720 -9.952 -0.488
83 HH12 ARG 9 HH12 ARG 9 3.190 -11.452 -1.243
84 HH21 ARG 9 HH21 ARG 9 6.465 -10.611 -1.766
85 HH22 ARG 9 HH22 ARG 9 5.220 -11.816 -1.926
86 H MET 10 H MET 10 6.243 -5.542 2.228
87 HA MET 10 HA MET 10 6.882 -2.748 2.948
88 HB2 MET 10 HB2 MET 10 5.604 -3.615 4.859
89 HB3 MET 10 HB3 MET 10 6.737 -4.971 5.018
90 HG2 MET 10 HG2 MET 10 8.542 -3.434 5.602
91 HG3 MET 10 HG3 MET 10 7.488 -2.036 5.289
92 HE1 MET 10 HE1 MET 10 7.928 -1.864 9.170
93 HE2 MET 10 HE2 MET 10 9.145 -2.358 7.972
94 HE3 MET 10 HE3 MET 10 8.054 -0.990 7.628
95 H PHE 11 H PHE 11 8.913 -2.236 2.739
96 HA PHE 11 HA PHE 11 10.949 -4.184 2.007
97 HB2 PHE 11 HB2 PHE 11 10.931 -1.175 2.202
98 HB3 PHE 11 HB3 PHE 11 12.391 -2.101 1.846
99 HD1 PHE 11 HD1 PHE 11 9.403 -0.658 0.424
100 HD2 PHE 11 HD2 PHE 11 12.439 -3.662 -0.178
101 HE1 PHE 11 HE1 PHE 11 8.861 -0.721 -1.998
102 HE2 PHE 11 HE2 PHE 11 11.883 -3.734 -2.600
103 HZ PHE 11 HZ PHE 11 10.095 -2.261 -3.512
104 H ALA 12 H ALA 12 13.008 -4.472 2.940
105 HA ALA 12 HA ALA 12 13.048 -4.825 5.759
106 HB1 ALA 12 HB1 ALA 12 15.418 -5.400 5.377
107 HB2 ALA 12 HB2 ALA 12 14.379 -6.134 4.142
108 HB3 ALA 12 HB3 ALA 12 15.343 -4.688 3.750
109 H ASN 13 H ASN 13 13.800 -1.969 3.892
110 HA ASN 13 HA ASN 13 15.319 -0.642 6.011
111 HB2 ASN 13 HB2 ASN 13 15.429 1.228 4.498
112 HB3 ASN 13 HB3 ASN 13 15.790 -0.268 3.627
113 HD21 ASN 13 HD21 ASN 13 15.410 1.031 1.747
114 H GLY 14 H GLY 14 12.053 -1.309 5.826
115 HA2 GLY 14 HA2 GLY 14 10.544 -0.645 7.514
116 HA3 GLY 14 HA3 GLY 14 11.386 0.896 7.714
117 H THR 15 H THR 15 10.789 0.224 4.383
118 HA THR 15 HA THR 15 8.696 2.308 4.305
119 HB THR 15 HB THR 15 10.253 0.938 2.087
120 HG1 THR 15 HG1 THR 15 11.648 2.056 3.180
121 HG21 THR 15 HG21 THR 15 8.220 1.895 1.179
122 HG22 THR 15 HG22 THR 15 8.523 3.432 2.031
123 HG23 THR 15 HG23 THR 15 9.613 2.884 0.727
124 H VAL 16 H VAL 16 6.580 1.887 4.074
125 HA VAL 16 HA VAL 16 5.634 -0.834 3.342
126 HB VAL 16 HB VAL 16 4.271 1.589 4.570
127 HG11 VAL 16 HG11 VAL 16 2.314 0.111 4.943
128 HG12 VAL 16 HG12 VAL 16 2.581 0.443 3.234
129 HG13 VAL 16 HG13 VAL 16 3.066 -1.130 3.913
130 HG21 VAL 16 HG21 VAL 16 4.060 0.126 6.547
131 HG22 VAL 16 HG22 VAL 16 4.906 -1.177 5.689
132 HG23 VAL 16 HG23 VAL 16 5.760 0.326 6.105
133 H TYR 17 H TYR 17 4.311 -1.239 1.640
134 HA TYR 17 HA TYR 17 3.381 0.816 -0.241
135 HB2 TYR 17 HB2 TYR 17 4.643 0.021 -2.115
136 HB3 TYR 17 HB3 TYR 17 5.791 0.418 -0.848
137 HD1 TYR 17 HD1 TYR 17 6.815 -1.516 0.533
138 HD2 TYR 17 HD2 TYR 17 4.675 -2.091 -3.172
139 HE1 TYR 17 HE1 TYR 17 8.002 -3.670 0.175
140 HE2 TYR 17 HE2 TYR 17 5.849 -4.263 -3.507
141 HH TYR 17 HH TYR 17 8.402 -5.381 -1.278
142 H TYR 18 H TYR 18 2.660 -0.790 -2.316
143 HA TYR 18 HA TYR 18 0.923 -2.906 -1.135
144 HB2 TYR 18 HB2 TYR 18 0.192 -0.759 -3.147
145 HB3 TYR 18 HB3 TYR 18 -0.833 -2.123 -2.681
146 HD1 TYR 18 HD1 TYR 18 0.627 1.080 -1.554
147 HD2 TYR 18 HD2 TYR 18 -1.941 -2.224 -0.511
148 HE1 TYR 18 HE1 TYR 18 -0.219 2.360 0.414
149 HE2 TYR 18 HE2 TYR 18 -2.841 -0.911 1.399
150 HH TYR 18 HH TYR 18 -2.649 0.990 2.650
151 H PHE 19 H PHE 19 0.508 -4.717 -2.257
152 HA PHE 19 HA PHE 19 1.782 -5.101 -4.908
153 HB2 PHE 19 HB2 PHE 19 3.409 -5.916 -3.462
154 HB3 PHE 19 HB3 PHE 19 2.206 -6.692 -2.421
155 HD1 PHE 19 HD1 PHE 19 1.354 -8.927 -2.862
156 HD2 PHE 19 HD2 PHE 19 4.006 -6.968 -5.649
157 HE1 PHE 19 HE1 PHE 19 1.773 -11.087 -3.994
158 HE2 PHE 19 HE2 PHE 19 4.396 -9.126 -6.795
159 HZ PHE 19 HZ PHE 19 3.280 -11.198 -5.972
160 H ASN 20 H ASN 20 0.731 -6.205 -6.432
161 HA ASN 20 HA ASN 20 -1.975 -7.236 -5.741
162 HB2 ASN 20 HB2 ASN 20 -1.682 -5.526 -7.534
163 HB3 ASN 20 HB3 ASN 20 -0.729 -6.702 -8.462
164 HD21 ASN 20 HD21 ASN 20 -3.531 -5.356 -8.764
165 HD22 ASN 20 HD22 ASN 20 -4.543 -6.744 -9.171
166 H HIS 21 H HIS 21 -2.006 -9.349 -5.178
167 HA HIS 21 HA HIS 21 0.204 -11.105 -5.924
168 HB2 HIS 21 HB2 HIS 21 -0.371 -12.354 -4.182
169 HB3 HIS 21 HB3 HIS 21 -1.275 -10.928 -3.686
170 HD2 HIS 21 HD2 HIS 21 -4.031 -11.025 -4.307
171 HE1 HIS 21 HE1 HIS 21 -4.206 -15.283 -4.369
172 HE2 HIS 21 HE2 HIS 21 -5.590 -13.150 -4.242
173 H ILE 22 H ILE 22 -2.748 -10.389 -7.486
174 HA ILE 22 HA ILE 22 -3.066 -12.962 -8.847
175 HB ILE 22 HB ILE 22 -4.222 -10.236 -9.549
176 HG12 ILE 22 HG12 ILE 22 -4.860 -10.707 -7.245
177 HG13 ILE 22 HG13 ILE 22 -6.241 -10.769 -8.341
178 HG21 ILE 22 HG21 ILE 22 -4.447 -11.761 -11.377
179 HG22 ILE 22 HG22 ILE 22 -5.061 -13.046 -10.316
180 HG23 ILE 22 HG23 ILE 22 -6.029 -11.580 -10.614
181 HD11 ILE 22 HD11 ILE 22 -6.333 -12.534 -6.633
182 HD12 ILE 22 HD12 ILE 22 -6.237 -13.234 -8.257
183 HD13 ILE 22 HD13 ILE 22 -4.795 -13.208 -7.213
184 H THR 23 H THR 23 -1.710 -9.754 -9.532
185 HA THR 23 HA THR 23 -0.794 -10.608 -12.226
186 HB THR 23 HB THR 23 -1.011 -8.395 -12.958
187 HG1 THR 23 HG1 THR 23 -1.755 -6.843 -11.282
188 HG21 THR 23 HG21 THR 23 -3.291 -7.788 -12.585
189 HG22 THR 23 HG22 THR 23 -3.229 -9.559 -12.565
190 HG23 THR 23 HG23 THR 23 -3.356 -8.654 -11.038
191 H ASN 24 H ASN 24 0.577 -10.086 -9.274
192 HA ASN 24 HA ASN 24 2.482 -9.543 -8.382
193 HB2 ASN 24 HB2 ASN 24 4.557 -10.313 -9.252
194 HB3 ASN 24 HB3 ASN 24 3.285 -11.501 -9.555
195 HD21 ASN 24 HD21 ASN 24 5.034 -8.805 -11.155
196 HD22 ASN 24 HD22 ASN 24 5.078 -9.600 -12.738
197 H ALA 25 H ALA 25 1.087 -7.400 -10.018
198 HA ALA 25 HA ALA 25 3.157 -5.414 -10.509
199 HB1 ALA 25 HB1 ALA 25 0.915 -5.331 -11.564
200 HB2 ALA 25 HB2 ALA 25 0.174 -5.084 -9.965
201 HB3 ALA 25 HB3 ALA 25 1.266 -3.859 -10.638
202 H SER 26 H SER 26 3.424 -3.426 -9.212
203 HA SER 26 HA SER 26 2.505 -3.426 -6.451
204 HB2 SER 26 HB2 SER 26 4.724 -3.213 -5.419
205 HB3 SER 26 HB3 SER 26 4.465 -4.806 -6.134
206 HG SER 26 HG SER 26 5.730 -4.201 -7.885
207 H GLN 27 H GLN 27 2.712 -1.462 -5.361
208 HA GLN 27 HA GLN 27 3.834 0.886 -6.705
209 HB2 GLN 27 HB2 GLN 27 1.770 2.066 -7.027
210 HB3 GLN 27 HB3 GLN 27 1.662 0.517 -7.870
211 HG2 GLN 27 HG2 GLN 27 0.283 -0.392 -5.998
212 HG3 GLN 27 HG3 GLN 27 0.380 1.167 -5.188
213 HE21 GLN 27 HE21 GLN 27 -1.589 2.159 -5.379
214 HE22 GLN 27 HE22 GLN 27 -2.530 2.224 -6.883
215 H PHE 28 H PHE 28 3.940 2.745 -5.351
216 HA PHE 28 HA PHE 28 3.795 2.193 -2.491
217 HB2 PHE 28 HB2 PHE 28 5.713 3.296 -3.014
218 HB3 PHE 28 HB3 PHE 28 4.911 4.411 -4.127
219 HD1 PHE 28 HD1 PHE 28 3.802 6.433 -3.376
220 HD2 PHE 28 HD2 PHE 28 5.613 3.718 -0.551
221 HE1 PHE 28 HE1 PHE 28 3.609 8.154 -1.600
222 HE2 PHE 28 HE2 PHE 28 5.436 5.451 1.221
223 HZ PHE 28 HZ PHE 28 4.433 7.670 0.702
224 H GLU 29 H GLU 29 1.859 4.203 -4.634
225 HA GLU 29 HA GLU 29 0.384 5.461 -2.493
226 HB2 GLU 29 HB2 GLU 29 0.708 6.530 -4.629
227 HB3 GLU 29 HB3 GLU 29 -0.160 5.232 -5.473
228 HG2 GLU 29 HG2 GLU 29 -2.246 5.835 -4.339
229 HG3 GLU 29 HG3 GLU 29 -1.401 7.037 -3.356
230 H ARG 30 H ARG 30 -1.550 5.000 -1.589
231 HA ARG 30 HA ARG 30 -2.378 2.330 -1.316
232 HB2 ARG 30 HB2 ARG 30 -2.636 3.803 0.461
233 HB3 ARG 30 HB3 ARG 30 -3.474 5.004 -0.504
234 HG2 ARG 30 HG2 ARG 30 -4.859 3.902 1.189
235 HG3 ARG 30 HG3 ARG 30 -5.513 3.840 -0.458
236 HD2 ARG 30 HD2 ARG 30 -4.060 1.417 -0.060
237 HD3 ARG 30 HD3 ARG 30 -4.911 1.697 1.441
238 HE ARG 30 HE ARG 30 -6.116 1.356 -1.282
239 HH11 ARG 30 HH11 ARG 30 -6.798 1.575 2.171
240 HH12 ARG 30 HH12 ARG 30 -8.470 1.140 1.903
241 HH21 ARG 30 HH21 ARG 30 -8.159 0.918 -1.498
242 HH22 ARG 30 HH22 ARG 30 -9.184 0.587 -0.098
243 HA PRO 31 HA PRO 31 -4.573 2.014 -5.181
244 HB2 PRO 31 HB2 PRO 31 -5.354 -0.634 -5.071
245 HB3 PRO 31 HB3 PRO 31 -3.684 -0.088 -5.412
246 HG2 PRO 31 HG2 PRO 31 -4.835 -0.933 -2.723
247 HG3 PRO 31 HG3 PRO 31 -3.320 -1.489 -3.511
248 HD2 PRO 31 HD2 PRO 31 -3.273 0.437 -1.672
249 HD3 PRO 31 HD3 PRO 31 -2.263 0.594 -3.139
250 H SER 32 H SER 32 -6.588 2.267 -5.960
251 HA SER 32 HA SER 32 -8.949 1.939 -4.163
252 HB2 SER 32 HB2 SER 32 -10.031 3.574 -5.634
253 HB3 SER 32 HB3 SER 32 -8.538 4.210 -4.923
254 HG SER 32 HG SER 32 -8.689 4.656 -7.166
255 H GLY 33 H GLY 33 -7.497 0.510 -6.930
256 HA2 GLY 33 HA2 GLY 33 -9.304 -1.614 -7.224
257 HA3 GLY 33 HA3 GLY 33 -9.820 -0.389 -8.382
258 H1B XYP 101 H1 XYP 34 12.590 1.848 1.238
259 H2B XYP 101 H2 XYP 34 15.168 2.477 -0.299
260 H3B XYP 101 H3 XYP 34 12.327 3.525 -0.743
261 H4B XYP 101 H4 XYP 34 13.950 1.604 -2.487
262 H5B1 XYP 101 H5E XYP 34 12.327 -0.131 -1.832
263 H5B2 XYP 101 H5A XYP 34 11.465 1.021 -0.792
264 HO2B XYP 101 H2O XYP 34 14.752 3.585 1.756
265 HO3B XYP 101 H3O XYP 34 14.143 4.915 -1.323
266 HO4B XYP 101 H4O XYP 34 12.408 3.115 -3.452